A0A087Y364_POEFO Loading...

2-oxoglutarate and iron-dependent oxygenase JMJD4

AlphaFold DB , UniProt , Accession A0A087Y364, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 431 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
1M86.9Confident79Confident21 Ų2152 Ų5210%0.10328%0.278CS..  0133.10-177.2-176.2-74.400107.9A5 Y6 Y38 S39 F42 L371 H375 F378M1-A5 HydrophobicContact CG-CB 3.9Å; M1-Y6 HydrophobicContact SD-CD2 4.42Å; M1-Y38 HydrophobicContact CB-CE1 4.41Å; M1-S39 WeakPolarHBondContact CA-OG 3.47Å; M1-F42 HydrophobicContact CE-CD1 4.05Å; M1-F42 HydrophobicContact CE-CD2 3.9Å; M1-F42 HydrophobicContact CE-CE1 3.66Å; M1-F42 HydrophobicContact CE-CE2 3.48Å; M1-F42 VanDerWaalsContact CE-CE2 3.48Å; M1-F42 HydrophobicContact CE-CG 4.17Å; M1-F42 HydrophobicContact CE-CZ 3.36Å; M1-L371 PolarHBondContact N-O 3.04Å; M1-H375 HydrophobicContact CB-CB 3.86Å; M1-H375 HydrophobicContact CE-CB 4.44Å; M1-F378 HydrophobicContact CE-CB 4.06Å; M1-F378 HydrophobicContact CE-CD1 4.02Å; M1-F378 HydrophobicContact CE-CG 4.04Å; M1-F378 HydrophobicContact SD-CB 4.18Å
2D86.3Confident77.6Confident51 Ų5151.2 Ų51.227%0.27327%0.274SS..  trans-89163.8176.859.136.4000111.1D4 A5 Y6 S39 R43D2-D4 VanDerWaalsContact C-N 3.28Å; D2-D4 PolarHBondContact O-N 3.08Å; D2-A5 PolarHBondContact O-N 2.99Å; D2-A5 WeakPolarHBondContact OD1-CB 3.29Å; D2-A5 PolarHBondContact OD1-N 3.28Å; D2-Y6 PolarHBondContact O-N 2.76Å; D2-Y6 VanDerWaalsContact O-N 3.09Å; D2-S39 VanDerWaalsContact CG-CB 3.43Å; D2-S39 PolarHBondContact N-OG 3.07Å; D2-S39 WeakPolarHBondContact OD2-CB 3.41Å; D2-S39 PolarHBondContact OD2-OG 3.14Å; D2-R43 IonicContact OD1-NH2 2.66Å; D2-R43 IonicContact OD2-NH2 3.79Å; D2-R43 PolarHBondContact OD2-NH2 3.32Å
3R83.9Confident76.7Confident79 Ų7954.4 Ų54.430%0.29830%0.296SS..Hα-helixtrans-59.1-38.9-177.7-173.7176-178.6-150.4-11.6112.3Y6 H7 Y374R3-Y6 PolarHBondContact O-N 2.61Å; R3-H7 WeakPolarHBondContact CG-NE2 3.08Å; R3-H7 PolarHBondContact NE-NE2 3.32Å; R3-H7 PolarHBondContact O-CD2 3.34Å; R3-H7 PolarHBondContact O-N 2.88Å; R3-Y374 HydrophobicContact CB-CE1 4.02Å; R3-Y374 HydrophobicContact CB-CE2 4.05Å; R3-Y374 HydrophobicContact CG-CE1 3.87Å
4D82.5Confident75.8Confident106 Ų10662.6 Ų62.657%0.56733%0.328SS*.Hα-helixtrans-64.9-45.3178.4-71.4-14000111.9D2 Y6 H7 N8D2-D4 VanDerWaalsContact C-N 3.28Å; D2-D4 PolarHBondContact O-N 3.08Å; D4-Y6 VanDerWaalsContact C-N 3.32Å; D4-Y6 PolarHBondContact O-N 3.26Å; D4-H7 PolarHBondContact O-N 3.48Å; D4-N8 PolarHBondContact O-N 3.39Å; D4-N8 VanDerWaalsContact O-N 3.17Å; D4-N8 PolarHBondContact O-ND2 3.36Å
5A82.2Confident75.5Confident1 Ų159 Ų591%0.00831%0.308CS..Hα-helixtrans-60.4-44.517600000110.8M1 D2 N8 C9 R43M1-A5 HydrophobicContact CG-CB 3.9Å; D2-A5 PolarHBondContact O-N 2.99Å; D2-A5 WeakPolarHBondContact OD1-CB 3.29Å; D2-A5 PolarHBondContact OD1-N 3.28Å; A5-N8 PolarHBondContact O-N 2.99Å; A5-C9 PolarHBondContact O-N 3.21Å; A5-C9 PolarHBondContact O-SG 3.06Å; A5-R43 HydrophobicContact CB-CG 3.99Å
6Y84.3Confident74.6Confident5 Ų560.3 Ų60.32%0.0232%0.321CS..Hα-helixtrans-61.3-50.8176.7174.4-104.7000112.4M1 D2 R3 D4 N8 C9 S10 Y374 A377 F378M1-Y6 HydrophobicContact SD-CD2 4.42Å; D2-Y6 PolarHBondContact O-N 2.76Å; D2-Y6 VanDerWaalsContact O-N 3.09Å; R3-Y6 PolarHBondContact O-N 2.61Å; D4-Y6 VanDerWaalsContact C-N 3.32Å; D4-Y6 PolarHBondContact O-N 3.26Å; Y6-N8 PolarHBondContact O-N 3.18Å; Y6-C9 CarbonylContact O-C 3.51Å; Y6-C9 PolarHBondContact O-N 3.37Å; Y6-C9 PolarHBondContact O-SG 3.31Å; Y6-S10 WeakPolarHBondContact O-CA 3.03Å; Y6-S10 WeakPolarHBondContact O-CB 3.06Å; Y6-S10 PolarHBondContact O-N 3.23Å; Y6-S10 PolarHBondContact O-OG 2.96Å; Y6-Y374 AromaticContact CD1-CD1 3.82Å; Y6-Y374 HydrophobicContact CD1-CD1 3.82Å; Y6-Y374 HydrophobicContact CD1-CE1 4.41Å; Y6-Y374 VanDerWaalsContact CD2-O 3.28Å; Y6-Y374 WeakPolarHBondContact CD2-O 3.18Å; Y6-Y374 AromaticContact CG-CD1 3.92Å; Y6-Y374 HydrophobicContact CG-CD1 3.92Å; Y6-A377 HydrophobicContact CE2-CB 3.85Å; Y6-F378 HydrophobicContact CD2-CB 4.08Å; Y6-F378 HydrophobicContact CE2-CB 4.32Å
7H80.6Confident74.2Confident80 Ų8064.5 Ų64.537%0.3733%0.332SS..Hα-helixtrans-58-37.3-179.7-79-50.9000112.7R3 D4 C9 S10R3-H7 WeakPolarHBondContact CG-NE2 3.08Å; R3-H7 PolarHBondContact NE-NE2 3.32Å; R3-H7 PolarHBondContact O-CD2 3.34Å; R3-H7 PolarHBondContact O-N 2.88Å; D4-H7 PolarHBondContact O-N 3.48Å; H7-C9 VanDerWaalsContact C-N 3.27Å; H7-C9 PolarHBondContact O-N 2.84Å; H7-S10 PolarHBondContact O-OG 3.47Å
8N75.7Confident73.7Confident108 Ų10867.1 Ų67.158%0.57834%0.342SS*.Hα-helixtrans-67.7-22.1178.2-73.6-48.8000114.1D4 A5 Y6D4-N8 PolarHBondContact O-N 3.39Å; D4-N8 VanDerWaalsContact O-N 3.17Å; D4-N8 PolarHBondContact O-ND2 3.36Å; A5-N8 PolarHBondContact O-N 2.99Å; Y6-N8 PolarHBondContact O-N 3.18Å
9C78.3Confident73.7Confident2 Ų266.7 Ų66.71%0.01435%0.346CS..Hα-helixtrans-117.7-9.1-179.564.30000115.3A5 Y6 H7 S11 L12 L47 F378A5-C9 PolarHBondContact O-N 3.21Å; A5-C9 PolarHBondContact O-SG 3.06Å; Y6-C9 CarbonylContact O-C 3.51Å; Y6-C9 PolarHBondContact O-N 3.37Å; Y6-C9 PolarHBondContact O-SG 3.31Å; H7-C9 VanDerWaalsContact C-N 3.27Å; H7-C9 PolarHBondContact O-N 2.84Å; C9-S11 PolarHBondContact O-N 2.86Å; C9-L12 HydrophobicContact CB-CD1 3.92Å; C9-L12 WeakPolarHBondContact O-CB 3.23Å; C9-L12 PolarHBondContact O-N 3.39Å; C9-L12 VanDerWaalsContact O-N 3.13Å; C9-L47 HydrophobicContact CB-CD1 4.25Å; C9-F378 HydrophobicContact CB-CD2 4.19Å; C9-F378 HydrophobicContact CB-CE2 3.93Å; C9-F378 WeakPolarHBondContact SG-CD2 3.39Å
10S66.5Low74.1Confident25 Ų2564.6 Ų64.618%0.17533%0.333CS..THydrogen-bonded Turntrans-66.2-8.4-171.364.10000116.2Y6 H7 Q381Y6-S10 WeakPolarHBondContact O-CA 3.03Å; Y6-S10 WeakPolarHBondContact O-CB 3.06Å; Y6-S10 PolarHBondContact O-N 3.23Å; Y6-S10 PolarHBondContact O-OG 2.96Å; H7-S10 PolarHBondContact O-OG 3.47Å; S10-Q381 PolarHBondContact O-NE2 3.19Å; S10-Q381 PolarHBondContact O-OE1 3.32Å
11S61.6Low74.3Confident94 Ų9467.1 Ų67.166%0.65734%0.344SS*.THydrogen-bonded Turntrans-117.22179.361.50000113.4C9 V13C9-S11 PolarHBondContact O-N 2.86Å; S11-V13 PolarHBondContact O-N 3.29Å
12L62.8Low73.8Confident42 Ų4271 Ų7122%0.2236%0.362CS..  trans-76.795.9-175.8-62.4177.4000110.1C9 M15 P16 R382C9-L12 HydrophobicContact CB-CD1 3.92Å; C9-L12 WeakPolarHBondContact O-CB 3.23Å; C9-L12 PolarHBondContact O-N 3.39Å; C9-L12 VanDerWaalsContact O-N 3.13Å; L12-M15 HydrophobicContact CB-SD 3.89Å; L12-M15 HydrophobicContact CD1-CE 4.49Å; L12-M15 HydrophobicContact CD1-SD 4.1Å; L12-P16 HydrophobicContact CD1-CG 4.3Å; L12-P16 HydrophobicContact CD2-CG 4.45Å; L12-R382 PolarHBondContact O-NH1 3.11Å
13V65.8Low73.4Confident93 Ų9369.5 Ų69.556%0.56435%0.353SS*.SBendtrans-62.8-47.8165.4178.50000108.7S11 R382 H385S11-V13 PolarHBondContact O-N 3.29Å; V13-R382 PolarHBondContact O-NH1 3.07Å; V13-H385 WeakPolarHBondContact CG1-CE1 3.47Å; V13-H385 PolarHBondContact O-CD2 3.06Å; V13-H385 PolarHBondContact O-NE2 3.13Å; V13-H385 VanDerWaalsContact O-NE2 3.11Å
14K63.4Low73Confident170 Ų17071 Ų7174%0.73936%0.359SS*.SBendtrans-113.4128.7172.7-165.7174-175.4176.80109.9
15M71.4Confident72Confident8 Ų871.1 Ų71.14%0.03937%0.368CS..  trans-70.9123.8177.7-57.6-60-79.700109.1L12 R17 L47 F378L12-M15 HydrophobicContact CB-SD 3.89Å; L12-M15 HydrophobicContact CD1-CE 4.49Å; L12-M15 HydrophobicContact CD1-SD 4.1Å; M15-R17 PolarHBondContact O-N 2.83Å; M15-L47 HydrophobicContact CE-CD1 3.05Å; M15-L47 HydrophobicContact CE-CG 4.21Å; M15-F378 HydrophobicContact CE-CE2 4.44Å; M15-F378 HydrophobicContact CE-CZ 4.14Å
16P61.8Low71.1Confident79 Ų7973.2 Ų73.251%0.51338%0.382SS..  trans-68.9108.8178.526.7-29.6000108.4L12 Q18L12-P16 HydrophobicContact CD1-CG 4.3Å; L12-P16 HydrophobicContact CD2-CG 4.45Å; P16-Q18 PolarHBondContact O-N 3.24Å
17R67.9Low70.4Confident133 Ų13379.3 Ų79.350%0.50241%0.41SS..PPolyproline II helixtrans-81.5116.3174.3-59.1-174.6-170.8175.56.4107.3M15 D288M15-R17 PolarHBondContact O-N 2.83Å; R17-D288 IonicContact CZ-OD2 3.78Å; R17-D288 IonicContact NH2-OD2 3.33Å; R17-D288 PolarHBondContact NH2-OD2 3.49Å
18Q64.6Low70.2Confident110 Ų11081.9 Ų81.951%0.51442%0.421SS..PPolyproline II helixtrans-70.2155177.4-68-175.2-2.800109.8P16 Y20 P48 H50P16-Q18 PolarHBondContact O-N 3.24Å; Q18-Y20 PolarHBondContact O-N 3.06Å; Q18-P48 HydrophobicContact CG-CB 4.48Å; Q18-H50 PolarHBondContact OE1-CE1 2.59Å; Q18-H50 VanDerWaalsContact OE1-CE1 3.31Å
19S74.1Confident70.7Confident60 Ų6077.7 Ų77.742%0.4240%0.399SS..PPolyproline II helixtrans-62.3135.4170.5178.50000109.5E21S19-E21 PolarHBondContact O-N 3.23Å; S19-E21 WeakPolarHBondContact OG-CB 3.49Å; S19-E21 WeakPolarHBondContact OG-CG 3.39Å; S19-E21 PolarHBondContact OG-N 3.43Å; S19-E21 PolarHBondContact OG-OE1 2.94Å
20Y81.8Confident71.4Confident24 Ų2480.7 Ų80.79%0.09441%0.413CS..  trans-86.39.7174.1-59-64.6000112.9Q18 Q22 F23 N49 P209 P210 W264Q18-Y20 PolarHBondContact O-N 3.06Å; Y20-Q22 PolarHBondContact O-N 3.31Å; Y20-F23 HydrophobicContact CD1-CD2 4.03Å; Y20-F23 HydrophobicContact CD1-CE2 4.09Å; Y20-F23 WeakPolarHBondContact O-CB 3.41Å; Y20-F23 PolarHBondContact O-N 3.44Å; Y20-N49 PolarHBondContact OH-ND2 2.8Å; Y20-P209 HydrophobicContact CD1-CB 4.48Å; Y20-P209 HydrophobicContact CD2-CB 4.1Å; Y20-P209 HydrophobicContact CG-CB 3.82Å; Y20-P210 HydrophobicContact CE2-CB 4.01Å; Y20-P210 HydrophobicContact CE2-CG 3.86Å; Y20-W264 AromaticContact CD1-CZ2 3.8Å; Y20-W264 HydrophobicContact CD1-CZ2 3.8Å; Y20-W264 AromaticContact CE1-CZ2 3.98Å; Y20-W264 HydrophobicContact CE1-CZ2 3.98Å
21E77.6Confident72.7Confident118 Ų11884.6 Ų84.655%0.55143%0.425SS*.Hα-helixtrans-48.2-36.5177.7-85.5161.8-125.100113.6S19 F23 W24S19-E21 PolarHBondContact O-N 3.23Å; S19-E21 WeakPolarHBondContact OG-CB 3.49Å; S19-E21 WeakPolarHBondContact OG-CG 3.39Å; S19-E21 PolarHBondContact OG-N 3.43Å; S19-E21 PolarHBondContact OG-OE1 2.94Å; E21-F23 PolarHBondContact O-N 3.2Å; E21-F23 VanDerWaalsContact O-N 3.13Å; E21-W24 HydrophobicContact CB-CD2 4.42Å; E21-W24 HydrophobicContact CB-CE3 4.18Å; E21-W24 HydrophobicContact CB-CZ3 4.35Å; E21-W24 HydrophobicContact CG-CD2 4.08Å; E21-W24 HydrophobicContact CG-CE3 3.5Å; E21-W24 HydrophobicContact CG-CH2 3.56Å; E21-W24 HydrophobicContact CG-CZ2 4.13Å; E21-W24 HydrophobicContact CG-CZ3 3.22Å; E21-W24 PolarHBondContact O-N 3.06Å
22Q76.1Confident74.4Confident103 Ų10380.7 Ų80.748%0.48140%0.396SS..Hα-helixtrans-60.6-22.7177.666.6179-16.300113.6Y20 S26 H50Y20-Q22 PolarHBondContact O-N 3.31Å; Q22-S26 WeakPolarHBondContact O-CB 3.48Å; Q22-H50 PolarHBondContact NE2-CE1 3.09Å; Q22-H50 PolarHBondContact NE2-NE2 3.31Å
23F78.9Confident75.7Confident19 Ų1982.3 Ų82.38%0.08341%0.405CS..Hα-helixtrans-96.2-10.4178.5-56.2-70.9000113.1Y20 E21 S25 H50 P51 P209 W264Y20-F23 HydrophobicContact CD1-CD2 4.03Å; Y20-F23 HydrophobicContact CD1-CE2 4.09Å; Y20-F23 WeakPolarHBondContact O-CB 3.41Å; Y20-F23 PolarHBondContact O-N 3.44Å; E21-F23 PolarHBondContact O-N 3.2Å; E21-F23 VanDerWaalsContact O-N 3.13Å; F23-S25 VanDerWaalsContact C-N 3.28Å; F23-S25 PolarHBondContact O-N 3.05Å; F23-H50 AromaticContact CE2-CD2 3.48Å; F23-H50 VanDerWaalsContact CE2-CD2 3.48Å; F23-H50 WeakPolarHBondContact CE2-CD2 3.4Å; F23-H50 AromaticContact CE2-CG 4Å; F23-H50 AromaticContact CE2-NE2 3.77Å; F23-H50 HydrophobicContact CZ-CB 4.07Å; F23-H50 AromaticContact CZ-CD2 3.82Å; F23-H50 AromaticContact CZ-CG 3.84Å; F23-P51 HydrophobicContact CE1-CG 4.11Å; F23-P51 HydrophobicContact CZ-CG 4.4Å; F23-P209 HydrophobicContact CB-CG 3.91Å; F23-W264 HydrophobicContact CB-CH2 4.12Å; F23-W264 HydrophobicContact CD1-CH2 4.16Å; F23-W264 AromaticContact CD2-CH2 3.65Å; F23-W264 HydrophobicContact CD2-CH2 3.65Å; F23-W264 HydrophobicContact CD2-CZ2 4.02Å; F23-W264 HydrophobicContact CE2-CH2 4.05Å; F23-W264 HydrophobicContact CE2-CZ2 4.09Å; F23-W264 AromaticContact CG-CH2 3.71Å; F23-W264 HydrophobicContact CG-CH2 3.71Å; F23-W264 HydrophobicContact CZ-CH2 4.47Å
24W74.9Confident76.8Confident111 Ų11186.1 Ų86.142%0.4241%0.414SS..Hα-helixtrans-73.1-21.2-178-62.6-12.9000113.7E21 C245E21-W24 HydrophobicContact CB-CD2 4.42Å; E21-W24 HydrophobicContact CB-CE3 4.18Å; E21-W24 HydrophobicContact CB-CZ3 4.35Å; E21-W24 HydrophobicContact CG-CD2 4.08Å; E21-W24 HydrophobicContact CG-CE3 3.5Å; E21-W24 HydrophobicContact CG-CH2 3.56Å; E21-W24 HydrophobicContact CG-CZ2 4.13Å; E21-W24 HydrophobicContact CG-CZ3 3.22Å; E21-W24 PolarHBondContact O-N 3.06Å; W24-C245 HydrophobicContact CB-CB 3.76Å; W24-C245 HydrophobicContact CG-CB 3.9Å
25S62.2Low77.6Confident109 Ų10987.4 Ų87.476%0.76242%0.423SS*.SBendtrans-129.8-2.7-176.857.30000114.1F23F23-S25 VanDerWaalsContact C-N 3.28Å; F23-S25 PolarHBondContact O-N 3.05Å
26S62.4Low78.6Confident44 Ų4488.9 Ų88.931%0.30843%0.431SS..  trans-112.1126.2-176.5-1730000110.6Q22 F28Q22-S26 WeakPolarHBondContact O-CB 3.48Å; S26-F28 PolarHBondContact O-N 3.4Å; S26-F28 WeakPolarHBondContact OG-CB 3.2Å; S26-F28 PolarHBondContact OG-N 3.4Å; S26-F28 VanDerWaalsContact OG-N 3.15Å
27H69.6Low80.1Confident133 Ų13387.7 Ų87.762%0.61642%0.424SS*.  trans-8213.2167.9-63.671.9000111.6
28F76.1Confident81.4Confident135 Ų13582.2 Ų82.259%0.59240%0.404SS*.  trans-90120.8-174.3-176-97.9000111.2S26 E30S26-F28 PolarHBondContact O-N 3.4Å; S26-F28 WeakPolarHBondContact OG-CB 3.2Å; S26-F28 PolarHBondContact OG-N 3.4Å; S26-F28 VanDerWaalsContact OG-N 3.15Å; F28-E30 HydrophobicContact CE1-CB 4.17Å
29V87.8Confident82.8Confident19 Ų1977.5 Ų77.512%0.11538%0.383CS..  trans-111.8134.9162.8-1760000108.1Y31 P51 C52 M53 L248 I250V29-Y31 PolarHBondContact O-N 2.85Å; V29-P51 HydrophobicContact CG1-CB 4.47Å; V29-C52 VanDerWaalsContact CG1-CA 3.46Å; V29-M53 HydrophobicContact CB-CG 4.48Å; V29-M53 HydrophobicContact CG1-CG 3.97Å; V29-L248 HydrophobicContact CG2-CD1 3.58Å; V29-L248 HydrophobicContact CG2-CD2 3.35Å; V29-L248 HydrophobicContact CG2-CG 3.67Å; V29-I250 HydrophobicContact CB-CD1 4.49Å; V29-I250 HydrophobicContact CG2-CD1 3.59Å; V29-I250 HydrophobicContact CG2-CG1 3.78Å
30E91.9Very high83.8Confident66 Ų6680.4 Ų80.431%0.30839%0.388SS..EExtended strand (participates in β ladder)trans-67.5133.9178.4-170.2165.4149.100111.2F28 K44 Y45 M53F28-E30 HydrophobicContact CE1-CB 4.17Å; E30-K44 WeakPolarHBondContact OE1-CE 3.43Å; E30-K44 IonicContact OE1-NZ 2.65Å; E30-K44 PolarHBondContact OE1-NZ 3.39Å; E30-K44 WeakPolarHBondContact OE2-CE 3.38Å; E30-K44 IonicContact OE2-NZ 2.67Å; E30-K44 PolarHBondContact OE2-NZ 3.18Å; E30-Y45 HydrophobicContact CB-CE1 4.3Å; E30-Y45 VanDerWaalsContact CG-OH 3.31Å; E30-Y45 WeakPolarHBondContact CG-OH 3.48Å; E30-Y45 PolarHBondContact OE1-OH 3.02Å; E30-Y45 PolarHBondContact OE2-OH 3.1Å; E30-M53 PolarHBondContact O-N 3.14Å
31Y94.7Very high84.5Confident107 Ų10779.3 Ų79.342%0.4238%0.383SS..EExtended strand (participates in β ladder)trans-106.4115.3-178.4-164.2-88.7000110.7V29 D33 M53 S55 E256V29-Y31 PolarHBondContact O-N 2.85Å; Y31-D33 HydrophobicContact CD1-CB 4.13Å; Y31-D33 HydrophobicContact CE1-CB 4.07Å; Y31-M53 HydrophobicContact CD2-CB 3.58Å; Y31-M53 HydrophobicContact CD2-CG 4.44Å; Y31-M53 HydrophobicContact CE2-CB 4.09Å; Y31-M53 HydrophobicContact CG-CB 4.41Å; Y31-S55 VanDerWaalsContact CE1-CB 3.46Å; Y31-S55 WeakPolarHBondContact OH-CA 3.44Å; Y31-S55 WeakPolarHBondContact OH-CB 3.45Å; Y31-E256 WeakPolarHBondContact CE2-OE1 3.48Å; Y31-E256 VanDerWaalsContact CZ-OE1 3.28Å; Y31-E256 PolarHBondContact OH-OE1 2.95Å
32I95.9Very high85.3Confident11 Ų1173.7 Ų73.76%0.05636%0.357CS..EExtended strand (participates in β ladder)trans-94.6103-178.4-55.9168.1000108.3L36 F41 Y45 C52 M53 F54 S55 F58I32-L36 HydrophobicContact CD1-CD2 3.85Å; I32-L36 HydrophobicContact CG1-CD2 4.46Å; I32-L36 HydrophobicContact CG2-CB 4.13Å; I32-L36 HydrophobicContact CG2-CD2 4.35Å; I32-F41 HydrophobicContact CD1-CD2 4.39Å; I32-Y45 HydrophobicContact CD1-CD2 4.44Å; I32-Y45 HydrophobicContact CD1-CE2 3.75Å; I32-Y45 HydrophobicContact CG1-CE2 4.5Å; I32-C52 HydrophobicContact CD1-CB 4.03Å; I32-M53 WeakPolarHBondContact CB-O 3.3Å; I32-M53 PolarHBondContact N-O 2.98Å; I32-F54 HydrophobicContact CB-CD1 4.14Å; I32-F54 HydrophobicContact CB-CE1 4.47Å; I32-F54 HydrophobicContact CB-CG 4.49Å; I32-F54 HydrophobicContact CD1-CD1 4.22Å; I32-F54 HydrophobicContact CD1-CD2 4.49Å; I32-F54 HydrophobicContact CD1-CE1 3.81Å; I32-F54 HydrophobicContact CD1-CE2 4.09Å; I32-F54 HydrophobicContact CD1-CZ 3.75Å; I32-F54 HydrophobicContact CG2-CD1 4.09Å; I32-F54 HydrophobicContact CG2-CE1 4.24Å; I32-F54 WeakPolarHBondContact O-CA 3.47Å; I32-S55 PolarHBondContact O-N 3.06Å; I32-F58 HydrophobicContact CG2-CE2 4.21Å; I32-F58 HydrophobicContact CG2-CZ 4.07Å; I32-F58 WeakPolarHBondContact O-CE2 3.48Å
33D91.8Very high86.1Confident77 Ų7773.2 Ų73.241%0.41235%0.351SS..  trans-109.7-13.6176.8-174.344.3000113.7Y31 S55 R57Y31-D33 HydrophobicContact CD1-CB 4.13Å; Y31-D33 HydrophobicContact CE1-CB 4.07Å; D33-S55 WeakPolarHBondContact OD1-CB 3.36Å; D33-S55 PolarHBondContact OD1-OG 3.19Å; D33-R57 WeakPolarHBondContact OD1-CD 3.37Å
34K87.8Confident86.7Confident172 Ų17276.9 Ų76.975%0.74837%0.367SS*.SBendtrans-109.8160.7-179.6-63.6-179.2-178.1176.90110.5L36K34-L36 PolarHBondContact O-N 3.45Å; K34-L36 VanDerWaalsContact O-N 3.11Å
35E80.9Confident87.6Confident197 Ų19771.8 Ų71.892%0.92135%0.348SS*.  trans-54.9120172.4-72.7-173.9174.800110.5
36L91.8Very high89.2Confident39 Ų3966.6 Ų66.620%0.20431%0.312CS..  trans-110.7132.7174.8-175.166000106.9I32 K34 K40 F41 Y45 F153I32-L36 HydrophobicContact CD1-CD2 3.85Å; I32-L36 HydrophobicContact CG1-CD2 4.46Å; I32-L36 HydrophobicContact CG2-CB 4.13Å; I32-L36 HydrophobicContact CG2-CD2 4.35Å; K34-L36 PolarHBondContact O-N 3.45Å; K34-L36 VanDerWaalsContact O-N 3.11Å; L36-K40 HydrophobicContact CD1-CB 3.52Å; L36-K40 HydrophobicContact CD1-CD 3.99Å; L36-K40 HydrophobicContact CD1-CG 4.42Å; L36-K40 HydrophobicContact CG-CB 4.11Å; L36-F41 HydrophobicContact CD2-CB 3.72Å; L36-F41 HydrophobicContact CD2-CD2 4.03Å; L36-F41 HydrophobicContact CD2-CG 4.38Å; L36-F41 HydrophobicContact CG-CB 4.28Å; L36-Y45 HydrophobicContact CD2-CE2 3.96Å; L36-F153 HydrophobicContact CB-CE1 4.36Å; L36-F153 HydrophobicContact CB-CZ 4.39Å; L36-F153 WeakPolarHBondContact O-CE1 3.23Å; L36-F153 WeakPolarHBondContact O-CZ 3.33Å
37S93.7Very high90.6Very high54 Ų5466.2 Ų66.238%0.37831%0.306SS..  trans-71.3148.517367.60000110.3S39 K40 F41S37-S39 PolarHBondContact O-N 2.86Å; S37-K40 PolarHBondContact O-N 3.03Å; S37-K40 WeakPolarHBondContact OG-CG 3.31Å; S37-K40 PolarHBondContact OG-N 3.06Å; S37-F41 PolarHBondContact O-N 2.93Å
38Y94.9Very high91.6Very high19 Ų1960.3 Ų60.38%0.07528%0.279CS..Hα-helixtrans-50.3-44.1175.3177.6-89.2000112M1 K40 F41 F42 L46 V152 L371 H375M1-Y38 HydrophobicContact CB-CE1 4.41Å; Y38-K40 VanDerWaalsContact C-N 3.31Å; Y38-K40 PolarHBondContact O-N 2.96Å; Y38-F41 WeakPolarHBondContact O-CB 3.22Å; Y38-F41 PolarHBondContact O-N 3.3Å; Y38-F41 VanDerWaalsContact O-N 3.16Å; Y38-F42 HydrophobicContact CD1-CB 4.48Å; Y38-F42 HydrophobicContact CE1-CB 4.05Å; Y38-F42 HydrophobicContact CE1-CD2 4.1Å; Y38-F42 HydrophobicContact CE1-CG 4.38Å; Y38-F42 WeakPolarHBondContact O-CB 3.48Å; Y38-F42 PolarHBondContact O-N 3.5Å; Y38-L46 HydrophobicContact CE2-CD1 4.49Å; Y38-V152 HydrophobicContact CD2-CG2 4.35Å; Y38-V152 WeakPolarHBondContact CD2-O 3.45Å; Y38-L371 HydrophobicContact CD1-CD2 4.12Å; Y38-L371 HydrophobicContact CD2-CD2 3.71Å; Y38-L371 HydrophobicContact CE1-CD2 3.85Å; Y38-L371 HydrophobicContact CE2-CD2 3.4Å; Y38-L371 HydrophobicContact CG-CD2 4.06Å; Y38-L371 VanDerWaalsContact CZ-CD2 3.46Å; Y38-H375 AromaticContact CE1-CD2 3.47Å; Y38-H375 VanDerWaalsContact CE1-CD2 3.47Å; Y38-H375 WeakPolarHBondContact CE1-CD2 3.43Å; Y38-H375 AromaticContact CE1-NE2 3.92Å; Y38-H375 AromaticContact CZ-CD2 3.66Å; Y38-H375 AromaticContact CZ-NE2 3.65Å; Y38-H375 PolarHBondContact OH-CD2 3.29Å; Y38-H375 PolarHBondContact OH-NE2 3.19Å
39S94.4Very high92.5Very high11 Ų1154.3 Ų54.38%0.07725%0.253CS..Hα-helixtrans-65.1-31.5-178.6-49.50000113.9M1 D2 S37 R43M1-S39 WeakPolarHBondContact CA-OG 3.47Å; D2-S39 VanDerWaalsContact CG-CB 3.43Å; D2-S39 PolarHBondContact N-OG 3.07Å; D2-S39 WeakPolarHBondContact OD2-CB 3.41Å; D2-S39 PolarHBondContact OD2-OG 3.14Å; S37-S39 PolarHBondContact O-N 2.86Å; S39-R43 WeakPolarHBondContact O-CG 3.5Å; S39-R43 PolarHBondContact O-N 3.3Å; S39-R43 PolarHBondContact O-NE 2.98Å
40K94.6Very high92.8Very high121 Ų12154.2 Ų54.253%0.52625%0.252SS..Hα-helixtrans-73.1-42.8173.2-73.8176.5179.7177.30110.4L36 S37 Y38 R43 K44L36-K40 HydrophobicContact CD1-CB 3.52Å; L36-K40 HydrophobicContact CD1-CD 3.99Å; L36-K40 HydrophobicContact CD1-CG 4.42Å; L36-K40 HydrophobicContact CG-CB 4.11Å; S37-K40 PolarHBondContact O-N 3.03Å; S37-K40 WeakPolarHBondContact OG-CG 3.31Å; S37-K40 PolarHBondContact OG-N 3.06Å; Y38-K40 VanDerWaalsContact C-N 3.31Å; Y38-K40 PolarHBondContact O-N 2.96Å; K40-R43 PolarHBondContact O-N 3.26Å; K40-K44 WeakPolarHBondContact O-CB 3.3Å; K40-K44 PolarHBondContact O-N 3.45Å
41F95.9Very high93Very high0 Ų051.2 Ų51.20%024%0.238CC..Hα-helixtrans-58.8-48175.1179.4-104.9000111.6I32 L36 S37 Y38 R43 K44 Y45 L46 F54 F153 F154 F259I32-F41 HydrophobicContact CD1-CD2 4.39Å; L36-F41 HydrophobicContact CD2-CB 3.72Å; L36-F41 HydrophobicContact CD2-CD2 4.03Å; L36-F41 HydrophobicContact CD2-CG 4.38Å; L36-F41 HydrophobicContact CG-CB 4.28Å; S37-F41 PolarHBondContact O-N 2.93Å; Y38-F41 WeakPolarHBondContact O-CB 3.22Å; Y38-F41 PolarHBondContact O-N 3.3Å; Y38-F41 VanDerWaalsContact O-N 3.16Å; F41-R43 PolarHBondContact O-N 3.22Å; F41-K44 PolarHBondContact O-N 3.49Å; F41-Y45 AromaticContact CD2-CD2 3.36Å; F41-Y45 HydrophobicContact CD2-CD2 3.36Å; F41-Y45 HydrophobicContact CD2-CE2 4.09Å; F41-Y45 HydrophobicContact CD2-CG 4.08Å; F41-Y45 AromaticContact CE2-CD2 3.71Å; F41-Y45 HydrophobicContact CE2-CD2 3.71Å; F41-Y45 AromaticContact CE2-CG 3.95Å; F41-Y45 HydrophobicContact CE2-CG 3.95Å; F41-Y45 HydrophobicContact CG-CD2 4.23Å; F41-Y45 PolarHBondContact O-N 3.26Å; F41-L46 HydrophobicContact CD1-CD1 3.89Å; F41-L46 HydrophobicContact CD1-CD2 4.48Å; F41-L46 HydrophobicContact CD1-CG 3.84Å; F41-L46 HydrophobicContact CE1-CD1 3.73Å; F41-L46 HydrophobicContact CE1-CD2 3.59Å; F41-L46 HydrophobicContact CE1-CG 3.41Å; F41-L46 VanDerWaalsContact CE1-CG 3.41Å; F41-L46 HydrophobicContact CZ-CD2 4.07Å; F41-L46 HydrophobicContact CZ-CG 4.18Å; F41-L46 PolarHBondContact O-N 2.96Å; F41-F54 AromaticContact CD2-CZ 3.8Å; F41-F54 HydrophobicContact CD2-CZ 3.8Å; F41-F54 AromaticContact CE2-CE2 3.93Å; F41-F54 HydrophobicContact CE2-CE2 3.93Å; F41-F54 AromaticContact CE2-CZ 3.46Å; F41-F54 HydrophobicContact CE2-CZ 3.46Å; F41-F54 VanDerWaalsContact CE2-CZ 3.46Å; F41-F54 HydrophobicContact CZ-CE2 4.47Å; F41-F54 HydrophobicContact CZ-CZ 4.12Å; F41-F153 HydrophobicContact CB-CD1 3.62Å; F41-F153 HydrophobicContact CB-CE1 4.09Å; F41-F153 HydrophobicContact CD1-CB 3.65Å; F41-F153 AromaticContact CD1-CD1 3.86Å; F41-F153 HydrophobicContact CD1-CD1 3.86Å; F41-F153 HydrophobicContact CD1-CG 4.16Å; F41-F153 HydrophobicContact CD2-CD1 4.31Å; F41-F153 HydrophobicContact CE1-CB 3.66Å; F41-F153 VanDerWaalsContact CE1-O 3.32Å; F41-F153 WeakPolarHBondContact CE1-O 3.47Å; F41-F153 HydrophobicContact CG-CB 4.13Å; F41-F153 AromaticContact CG-CD1 3.65Å; F41-F153 HydrophobicContact CG-CD1 3.65Å; F41-F153 HydrophobicContact CG-CE1 4.5Å; F41-F153 HydrophobicContact CG-CG 4.18Å; F41-F153 HydrophobicContact CZ-CB 4.18Å; F41-F154 HydrophobicContact CE1-CD1 4.47Å; F41-F154 HydrophobicContact CE1-CE1 4.34Å; F41-F154 HydrophobicContact CZ-CD1 4.39Å; F41-F154 AromaticContact CZ-CE1 3.86Å; F41-F154 HydrophobicContact CZ-CE1 3.86Å; F41-F259 HydrophobicContact CZ-CD1 4.23Å; F41-F259 HydrophobicContact CZ-CG 4.39Å
42F95.2Very high93.1Very high1 Ų146.1 Ų46.10%0.00422%0.218CC..Iπ-helixtrans-54.2-53.2177.1-178.2-86.8000111.7M1 Y38 K44 L46 L47 C285 F378M1-F42 HydrophobicContact CE-CD1 4.05Å; M1-F42 HydrophobicContact CE-CD2 3.9Å; M1-F42 HydrophobicContact CE-CE1 3.66Å; M1-F42 HydrophobicContact CE-CE2 3.48Å; M1-F42 VanDerWaalsContact CE-CE2 3.48Å; M1-F42 HydrophobicContact CE-CG 4.17Å; M1-F42 HydrophobicContact CE-CZ 3.36Å; Y38-F42 HydrophobicContact CD1-CB 4.48Å; Y38-F42 HydrophobicContact CE1-CB 4.05Å; Y38-F42 HydrophobicContact CE1-CD2 4.1Å; Y38-F42 HydrophobicContact CE1-CG 4.38Å; Y38-F42 WeakPolarHBondContact O-CB 3.48Å; Y38-F42 PolarHBondContact O-N 3.5Å; F42-K44 VanDerWaalsContact C-N 3.35Å; F42-K44 PolarHBondContact O-N 3Å; F42-L46 HydrophobicContact CB-CD1 4.45Å; F42-L46 HydrophobicContact CD2-CB 4.33Å; F42-L46 HydrophobicContact CD2-CD1 3.93Å; F42-L46 PolarHBondContact O-N 2.99Å; F42-L47 HydrophobicContact CE1-CB 4.36Å; F42-L47 HydrophobicContact CE1-CD1 4.01Å; F42-L47 HydrophobicContact CZ-CD1 4.25Å; F42-L47 VanDerWaalsContact O-CB 3.27Å; F42-L47 WeakPolarHBondContact O-CB 3.16Å; F42-L47 PolarHBondContact O-N 2.72Å; F42-C285 WeakPolarHBondContact CE2-SG 3.45Å; F42-C285 VanDerWaalsContact CZ-SG 3.54Å; F42-F378 HydrophobicContact CE2-CD1 4.29Å; F42-F378 AromaticContact CE2-CE1 3.92Å; F42-F378 HydrophobicContact CE2-CE1 3.92Å; F42-F378 HydrophobicContact CE2-CZ 4.44Å; F42-F378 HydrophobicContact CZ-CD1 4.06Å; F42-F378 AromaticContact CZ-CE1 3.65Å; F42-F378 HydrophobicContact CZ-CE1 3.65Å; F42-F378 HydrophobicContact CZ-CE2 4.27Å; F42-F378 AromaticContact CZ-CZ 3.77Å; F42-F378 HydrophobicContact CZ-CZ 3.77Å
43R92.3Very high93.2Very high93 Ų9345.9 Ų45.935%0.35122%0.217SC..Iπ-helixtrans-67.8-31.7-177.9-75.2-175.1-79-174.4-11.4113.9D2 A5 S39 K40 F41 P48D2-R43 IonicContact OD1-NH2 2.66Å; D2-R43 IonicContact OD2-NH2 3.79Å; D2-R43 PolarHBondContact OD2-NH2 3.32Å; A5-R43 HydrophobicContact CB-CG 3.99Å; S39-R43 WeakPolarHBondContact O-CG 3.5Å; S39-R43 PolarHBondContact O-N 3.3Å; S39-R43 PolarHBondContact O-NE 2.98Å; K40-R43 PolarHBondContact O-N 3.26Å; F41-R43 PolarHBondContact O-N 3.22Å; R43-P48 WeakPolarHBondContact O-CD 3.4Å
44K92.3Very high93.5Very high95 Ų9542.3 Ų42.341%0.41320%0.197SC..Iπ-helixtrans-94.1-26.8-171.4-170.6169-178.3175.40114E30 K40 F41 F42 P48E30-K44 WeakPolarHBondContact OE1-CE 3.43Å; E30-K44 IonicContact OE1-NZ 2.65Å; E30-K44 PolarHBondContact OE1-NZ 3.39Å; E30-K44 WeakPolarHBondContact OE2-CE 3.38Å; E30-K44 IonicContact OE2-NZ 2.67Å; E30-K44 PolarHBondContact OE2-NZ 3.18Å; K40-K44 WeakPolarHBondContact O-CB 3.3Å; K40-K44 PolarHBondContact O-N 3.45Å; F41-K44 PolarHBondContact O-N 3.49Å; F42-K44 VanDerWaalsContact C-N 3.35Å; F42-K44 PolarHBondContact O-N 3Å; K44-P48 VanDerWaalsContact C-CG 3.42Å; K44-P48 WeakPolarHBondContact O-CG 3.47Å
45Y94.3Very high94Very high5 Ų534.2 Ų34.22%0.0216%0.162CC..Iπ-helixtrans-128.4-54.3-172.1-54.5-74.2000112.8E30 I32 L36 F41 N49 H50 C52E30-Y45 HydrophobicContact CB-CE1 4.3Å; E30-Y45 VanDerWaalsContact CG-OH 3.31Å; E30-Y45 WeakPolarHBondContact CG-OH 3.48Å; E30-Y45 PolarHBondContact OE1-OH 3.02Å; E30-Y45 PolarHBondContact OE2-OH 3.1Å; I32-Y45 HydrophobicContact CD1-CD2 4.44Å; I32-Y45 HydrophobicContact CD1-CE2 3.75Å; I32-Y45 HydrophobicContact CG1-CE2 4.5Å; L36-Y45 HydrophobicContact CD2-CE2 3.96Å; F41-Y45 AromaticContact CD2-CD2 3.36Å; F41-Y45 HydrophobicContact CD2-CD2 3.36Å; F41-Y45 HydrophobicContact CD2-CE2 4.09Å; F41-Y45 HydrophobicContact CD2-CG 4.08Å; F41-Y45 AromaticContact CE2-CD2 3.71Å; F41-Y45 HydrophobicContact CE2-CD2 3.71Å; F41-Y45 AromaticContact CE2-CG 3.95Å; F41-Y45 HydrophobicContact CE2-CG 3.95Å; F41-Y45 HydrophobicContact CG-CD2 4.23Å; F41-Y45 PolarHBondContact O-N 3.26Å; Y45-N49 WeakPolarHBondContact O-CA 3.19Å; Y45-N49 PolarHBondContact O-N 2.92Å; Y45-H50 HydrophobicContact CD1-CB 4.4Å; Y45-H50 PolarHBondContact O-N 2.86Å; Y45-H50 VanDerWaalsContact O-N 3.07Å; Y45-C52 HydrophobicContact CD1-CB 3.63Å; Y45-C52 HydrophobicContact CE1-CB 3.42Å; Y45-C52 VanDerWaalsContact CE1-CB 3.42Å; Y45-C52 HydrophobicContact CG-CB 4.29Å
46L94.9Very high94.7Very high0 Ų032.8 Ų32.80%015%0.149CC..Iπ-helixtrans-66.6-43.1-178.4-63.4179.1000112.6Y38 F41 F42 Y193 F259 W281 C285Y38-L46 HydrophobicContact CE2-CD1 4.49Å; F41-L46 HydrophobicContact CD1-CD1 3.89Å; F41-L46 HydrophobicContact CD1-CD2 4.48Å; F41-L46 HydrophobicContact CD1-CG 3.84Å; F41-L46 HydrophobicContact CE1-CD1 3.73Å; F41-L46 HydrophobicContact CE1-CD2 3.59Å; F41-L46 HydrophobicContact CE1-CG 3.41Å; F41-L46 VanDerWaalsContact CE1-CG 3.41Å; F41-L46 HydrophobicContact CZ-CD2 4.07Å; F41-L46 HydrophobicContact CZ-CG 4.18Å; F41-L46 PolarHBondContact O-N 2.96Å; F42-L46 HydrophobicContact CB-CD1 4.45Å; F42-L46 HydrophobicContact CD2-CB 4.33Å; F42-L46 HydrophobicContact CD2-CD1 3.93Å; F42-L46 PolarHBondContact O-N 2.99Å; L46-Y193 HydrophobicContact CD2-CD2 4.13Å; L46-Y193 HydrophobicContact CD2-CE2 3.92Å; L46-Y193 PolarHBondContact O-OH 3.05Å; L46-F259 HydrophobicContact CD2-CE1 4.44Å; L46-F259 HydrophobicContact CD2-CE2 4.22Å; L46-F259 HydrophobicContact CD2-CZ 3.83Å; L46-W281 HydrophobicContact CD2-CZ2 4.05Å; L46-C285 WeakPolarHBondContact O-CB 3.37Å
47L92.1Very high94.9Very high36 Ų3638.2 Ų38.219%0.18817%0.166CC..THydrogen-bonded Turntrans-71.7-49.3-177.6-169.778.5000112.6C9 M15 F42 N49C9-L47 HydrophobicContact CB-CD1 4.25Å; M15-L47 HydrophobicContact CE-CD1 3.05Å; M15-L47 HydrophobicContact CE-CG 4.21Å; F42-L47 HydrophobicContact CE1-CB 4.36Å; F42-L47 HydrophobicContact CE1-CD1 4.01Å; F42-L47 HydrophobicContact CZ-CD1 4.25Å; F42-L47 VanDerWaalsContact O-CB 3.27Å; F42-L47 WeakPolarHBondContact O-CB 3.16Å; F42-L47 PolarHBondContact O-N 2.72Å; L47-N49 VanDerWaalsContact C-N 3.29Å; L47-N49 PolarHBondContact O-N 2.76Å
48P91.4Very high95Very high9 Ų938 Ų386%0.05816%0.159CC..THydrogen-bonded Turntrans-83.2-1.8179.934.4-38.1000114Q18 R43 K44 H50Q18-P48 HydrophobicContact CG-CB 4.48Å; R43-P48 WeakPolarHBondContact O-CD 3.4Å; K44-P48 VanDerWaalsContact C-CG 3.42Å; K44-P48 WeakPolarHBondContact O-CG 3.47Å; P48-H50 HydrophobicContact CG-CB 4.45Å; P48-H50 PolarHBondContact O-CD2 2.79Å; P48-H50 VanDerWaalsContact O-CD2 3.32Å
49N94.3Very high95.1Very high9 Ų937.1 Ų37.15%0.04816%0.155CC..THydrogen-bonded Turntrans6448.6179.3-16451.1000113.6Y20 Y45 L47 Y193 P261 S262 W264Y20-N49 PolarHBondContact OH-ND2 2.8Å; Y45-N49 WeakPolarHBondContact O-CA 3.19Å; Y45-N49 PolarHBondContact O-N 2.92Å; L47-N49 VanDerWaalsContact C-N 3.29Å; L47-N49 PolarHBondContact O-N 2.76Å; N49-Y193 VanDerWaalsContact OD1-CE1 3.23Å; N49-Y193 WeakPolarHBondContact OD1-CE1 3.42Å; N49-P261 VanDerWaalsContact C-CB 3.5Å; N49-P261 HydrophobicContact CB-CB 4.39Å; N49-P261 WeakPolarHBondContact O-CB 3.34Å; N49-P261 WeakPolarHBondContact OD1-CB 3.26Å; N49-S262 PolarHBondContact ND2-O 2.89Å; N49-S262 WeakPolarHBondContact OD1-CB 3.37Å; N49-S262 PolarHBondContact OD1-N 2.77Å; N49-W264 PolarHBondContact O-NE1 2.96Å; N49-W264 VanDerWaalsContact O-NE1 3.11Å
50H94.3Very high95.1Very high17 Ų1741.1 Ų41.18%0.07917%0.173CC..  trans-112.3138.6-174.7-68.5167000113.3Q18 Q22 F23 Y45 P48 F259Q18-H50 PolarHBondContact OE1-CE1 2.59Å; Q18-H50 VanDerWaalsContact OE1-CE1 3.31Å; Q22-H50 PolarHBondContact NE2-CE1 3.09Å; Q22-H50 PolarHBondContact NE2-NE2 3.31Å; F23-H50 AromaticContact CE2-CD2 3.48Å; F23-H50 VanDerWaalsContact CE2-CD2 3.48Å; F23-H50 WeakPolarHBondContact CE2-CD2 3.4Å; F23-H50 AromaticContact CE2-CG 4Å; F23-H50 AromaticContact CE2-NE2 3.77Å; F23-H50 HydrophobicContact CZ-CB 4.07Å; F23-H50 AromaticContact CZ-CD2 3.82Å; F23-H50 AromaticContact CZ-CG 3.84Å; Y45-H50 HydrophobicContact CD1-CB 4.4Å; Y45-H50 PolarHBondContact O-N 2.86Å; Y45-H50 VanDerWaalsContact O-N 3.07Å; P48-H50 HydrophobicContact CG-CB 4.45Å; P48-H50 PolarHBondContact O-CD2 2.79Å; P48-H50 VanDerWaalsContact O-CD2 3.32Å; H50-F259 VanDerWaalsContact O-CD1 3.29Å; H50-F259 WeakPolarHBondContact O-CD1 3.46Å; H50-F259 WeakPolarHBondContact O-CE1 3.41Å
51P95.9Very high95.2Very high3 Ų340.8 Ų40.82%0.01918%0.177CC..  trans-72.5154-178.730.7-35.2000111.2F23 V29 L207 L248 F259 P261 W264F23-P51 HydrophobicContact CE1-CG 4.11Å; F23-P51 HydrophobicContact CZ-CG 4.4Å; V29-P51 HydrophobicContact CG1-CB 4.47Å; P51-L207 HydrophobicContact CB-CD2 4.41Å; P51-L248 HydrophobicContact CG-CD2 3.89Å; P51-F259 WeakPolarHBondContact CA-O 3.47Å; P51-P261 HydrophobicContact CB-CG 3.98Å; P51-W264 VanDerWaalsContact CD-CZ2 3.5Å; P51-W264 HydrophobicContact CG-CH2 3.78Å; P51-W264 HydrophobicContact CG-CZ2 4.15Å; P51-W264 HydrophobicContact CG-CZ3 4.04Å
52C96.8Very high95.3Very high0 Ų041.5 Ų41.50%018%0.18CC..EExtended strand (participates in β ladder)trans-152.9160.9169.766.20000112.1V29 I32 Y45 F54 F259V29-C52 VanDerWaalsContact CG1-CA 3.46Å; I32-C52 HydrophobicContact CD1-CB 4.03Å; Y45-C52 HydrophobicContact CD1-CB 3.63Å; Y45-C52 HydrophobicContact CE1-CB 3.42Å; Y45-C52 VanDerWaalsContact CE1-CB 3.42Å; Y45-C52 HydrophobicContact CG-CB 4.29Å; C52-F54 VanDerWaalsContact SG-CE2 3.52Å; C52-F259 PolarHBondContact O-N 2.86Å
53M97.8Very high95.4Very high6 Ų645 Ų453%0.0320%0.195CC..EExtended strand (participates in β ladder)trans-107.7141.8172.9-66.9-60.4-67.200110.1V29 E30 Y31 I32 I250 Q252 E256 I257 I258V29-M53 HydrophobicContact CB-CG 4.48Å; V29-M53 HydrophobicContact CG1-CG 3.97Å; E30-M53 PolarHBondContact O-N 3.14Å; Y31-M53 HydrophobicContact CD2-CB 3.58Å; Y31-M53 HydrophobicContact CD2-CG 4.44Å; Y31-M53 HydrophobicContact CE2-CB 4.09Å; Y31-M53 HydrophobicContact CG-CB 4.41Å; I32-M53 WeakPolarHBondContact CB-O 3.3Å; I32-M53 PolarHBondContact N-O 2.98Å; M53-I250 HydrophobicContact CE-CG2 4.23Å; M53-I250 HydrophobicContact CG-CG2 4.24Å; M53-I250 HydrophobicContact SD-CG2 3.78Å; M53-Q252 HydrophobicContact CE-CB 4.04Å; M53-Q252 HydrophobicContact CE-CG 3.95Å; M53-E256 HydrophobicContact CE-CB 4.12Å; M53-I257 CarbonylContact C-O 3.57Å; M53-I257 WeakPolarHBondContact CA-O 3.35Å; M53-I258 HydrophobicContact CE-CB 4.25Å; M53-I258 HydrophobicContact SD-CB 3.51Å; M53-I258 VanDerWaalsContact SD-CB 3.51Å; M53-I258 HydrophobicContact SD-CD1 4.08Å; M53-I258 HydrophobicContact SD-CG1 3.67Å
54F98.2Very high95.6Very high1 Ų140.6 Ų40.60%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-110.8138.4168.8-65.1-105000109.4I32 F41 C52 F58 F153 F154 E256 I257 F259I32-F54 HydrophobicContact CB-CD1 4.14Å; I32-F54 HydrophobicContact CB-CE1 4.47Å; I32-F54 HydrophobicContact CB-CG 4.49Å; I32-F54 HydrophobicContact CD1-CD1 4.22Å; I32-F54 HydrophobicContact CD1-CD2 4.49Å; I32-F54 HydrophobicContact CD1-CE1 3.81Å; I32-F54 HydrophobicContact CD1-CE2 4.09Å; I32-F54 HydrophobicContact CD1-CZ 3.75Å; I32-F54 HydrophobicContact CG2-CD1 4.09Å; I32-F54 HydrophobicContact CG2-CE1 4.24Å; I32-F54 WeakPolarHBondContact O-CA 3.47Å; F41-F54 AromaticContact CD2-CZ 3.8Å; F41-F54 HydrophobicContact CD2-CZ 3.8Å; F41-F54 AromaticContact CE2-CE2 3.93Å; F41-F54 HydrophobicContact CE2-CE2 3.93Å; F41-F54 AromaticContact CE2-CZ 3.46Å; F41-F54 HydrophobicContact CE2-CZ 3.46Å; F41-F54 VanDerWaalsContact CE2-CZ 3.46Å; F41-F54 HydrophobicContact CZ-CE2 4.47Å; F41-F54 HydrophobicContact CZ-CZ 4.12Å; C52-F54 VanDerWaalsContact SG-CE2 3.52Å; F54-F58 HydrophobicContact CB-CD2 3.84Å; F54-F58 HydrophobicContact CB-CE2 4.34Å; F54-F58 HydrophobicContact CB-CG 4.27Å; F54-F58 HydrophobicContact CD1-CD1 4.16Å; F54-F58 AromaticContact CD1-CD2 3.95Å; F54-F58 HydrophobicContact CD1-CD2 3.95Å; F54-F58 HydrophobicContact CD1-CE1 4.13Å; F54-F58 AromaticContact CD1-CE2 3.9Å; F54-F58 HydrophobicContact CD1-CE2 3.9Å; F54-F58 HydrophobicContact CD1-CG 4.08Å; F54-F58 AromaticContact CD1-CZ 3.99Å; F54-F58 HydrophobicContact CD1-CZ 3.99Å; F54-F58 HydrophobicContact CG-CD2 4.42Å; F54-F153 HydrophobicContact CD1-CD2 4.44Å; F54-F153 AromaticContact CE1-CD2 3.57Å; F54-F153 HydrophobicContact CE1-CD2 3.57Å; F54-F153 AromaticContact CE1-CE2 3.83Å; F54-F153 HydrophobicContact CE1-CE2 3.83Å; F54-F153 HydrophobicContact CE1-CG 4.05Å; F54-F153 HydrophobicContact CE1-CZ 4.48Å; F54-F153 HydrophobicContact CZ-CB 4.32Å; F54-F153 HydrophobicContact CZ-CD2 4.06Å; F54-F153 HydrophobicContact CZ-CG 4.15Å; F54-F154 HydrophobicContact CD2-CZ 4.04Å; F54-F154 HydrophobicContact CE2-CE1 4Å; F54-F154 AromaticContact CE2-CZ 3.5Å; F54-F154 HydrophobicContact CE2-CZ 3.5Å; F54-F154 HydrophobicContact CZ-CE1 4.24Å; F54-F154 AromaticContact CZ-CZ 3.87Å; F54-F154 HydrophobicContact CZ-CZ 3.87Å; F54-E256 WeakPolarHBondContact O-CA 3.23Å; F54-E256 WeakPolarHBondContact O-CB 3.42Å; F54-I257 HydrophobicContact CB-CB 3.99Å; F54-I257 HydrophobicContact CB-CG1 4.35Å; F54-I257 HydrophobicContact CD2-CB 4.33Å; F54-I257 HydrophobicContact CG-CB 4.48Å; F54-I257 PolarHBondContact N-O 3.48Å; F54-I257 PolarHBondContact O-N 3.34Å; F54-F259 HydrophobicContact CE2-CB 4.4Å
55S97.6Very high95.8Very high2 Ų238.9 Ų38.91%0.01417%0.169CC..  trans-68.4163.2178.686.10000112.6Y31 I32 D33 R57 F58Y31-S55 VanDerWaalsContact CE1-CB 3.46Å; Y31-S55 WeakPolarHBondContact OH-CA 3.44Å; Y31-S55 WeakPolarHBondContact OH-CB 3.45Å; I32-S55 PolarHBondContact O-N 3.06Å; D33-S55 WeakPolarHBondContact OD1-CB 3.36Å; D33-S55 PolarHBondContact OD1-OG 3.19Å; S55-R57 PolarHBondContact O-N 3.07Å; S55-R57 WeakPolarHBondContact OG-CG 3.26Å; S55-F58 WeakPolarHBondContact O-CD2 3.29Å; S55-F58 PolarHBondContact O-N 2.81Å
56R96.8Very high95.9Very high168 Ų16845 Ų4563%0.63420%0.196SC*.G310 helixtrans-57.9-13.4179.269.6-177.4-175.6-1760.8115.6F58 T59 E60 G255R56-F58 VanDerWaalsContact C-N 3.27Å; R56-F58 PolarHBondContact O-N 3.28Å; R56-T59 PolarHBondContact O-N 3.12Å; R56-T59 PolarHBondContact O-OG1 3.48Å; R56-E60 PolarHBondContact O-N 2.82Å; R56-G255 WeakPolarHBondContact CA-O 3.19Å
57R95.6Very high96Very high152 Ų15247.8 Ų47.857%0.57421%0.209SC*.G310 helixtrans-62.7-35177.7-61.9-178.170.1105.57.7111.6D33 S55 T59 E60D33-R57 WeakPolarHBondContact OD1-CD 3.37Å; S55-R57 PolarHBondContact O-N 3.07Å; S55-R57 WeakPolarHBondContact OG-CG 3.26Å; R57-T59 PolarHBondContact O-N 2.66Å; R57-T59 VanDerWaalsContact O-N 3.17Å; R57-E60 VanDerWaalsContact O-CG 3.29Å; R57-E60 WeakPolarHBondContact O-CG 3.16Å; R57-E60 PolarHBondContact O-N 3.49Å
58F96Very high96.3Very high50 Ų5046.1 Ų46.122%0.21920%0.2CC..G310 helixtrans-68.5-14.9-177.8-70.6-88.2000113.8I32 F54 S55 R56 F153 I257I32-F58 HydrophobicContact CG2-CE2 4.21Å; I32-F58 HydrophobicContact CG2-CZ 4.07Å; I32-F58 WeakPolarHBondContact O-CE2 3.48Å; F54-F58 HydrophobicContact CB-CD2 3.84Å; F54-F58 HydrophobicContact CB-CE2 4.34Å; F54-F58 HydrophobicContact CB-CG 4.27Å; F54-F58 HydrophobicContact CD1-CD1 4.16Å; F54-F58 AromaticContact CD1-CD2 3.95Å; F54-F58 HydrophobicContact CD1-CD2 3.95Å; F54-F58 HydrophobicContact CD1-CE1 4.13Å; F54-F58 AromaticContact CD1-CE2 3.9Å; F54-F58 HydrophobicContact CD1-CE2 3.9Å; F54-F58 HydrophobicContact CD1-CG 4.08Å; F54-F58 AromaticContact CD1-CZ 3.99Å; F54-F58 HydrophobicContact CD1-CZ 3.99Å; F54-F58 HydrophobicContact CG-CD2 4.42Å; S55-F58 WeakPolarHBondContact O-CD2 3.29Å; S55-F58 PolarHBondContact O-N 2.81Å; R56-F58 VanDerWaalsContact C-N 3.27Å; R56-F58 PolarHBondContact O-N 3.28Å; F58-F153 AromaticContact CD1-CE2 3.99Å; F58-F153 HydrophobicContact CD1-CE2 3.99Å; F58-F153 AromaticContact CE1-CE2 3.59Å; F58-F153 HydrophobicContact CE1-CE2 3.59Å; F58-F153 HydrophobicContact CE1-CZ 4.16Å; F58-I257 HydrophobicContact CB-CD1 4.11Å
59T97.1Very high96.6Very high0 Ų046.8 Ų46.80%020%0.204CC..G310 helixtrans-117.30.2179.165.90000113R56 R57 N61 W62 R65 A197 G255 I257R56-T59 PolarHBondContact O-N 3.12Å; R56-T59 PolarHBondContact O-OG1 3.48Å; R57-T59 PolarHBondContact O-N 2.66Å; R57-T59 VanDerWaalsContact O-N 3.17Å; T59-N61 PolarHBondContact O-N 2.67Å; T59-W62 HydrophobicContact CG2-CD2 3.98Å; T59-W62 HydrophobicContact CG2-CE3 3.85Å; T59-W62 HydrophobicContact CG2-CH2 3.68Å; T59-W62 HydrophobicContact CG2-CZ2 3.77Å; T59-W62 HydrophobicContact CG2-CZ3 3.72Å; T59-W62 WeakPolarHBondContact O-CB 3.27Å; T59-W62 PolarHBondContact O-N 3.4Å; T59-R65 WeakPolarHBondContact O-CG 3.14Å; T59-R65 PolarHBondContact OG1-NH1 3.18Å; T59-A197 HydrophobicContact CG2-CB 4.18Å; T59-G255 WeakPolarHBondContact CG2-O 3.3Å; T59-G255 PolarHBondContact OG1-O 3.07Å; T59-I257 HydrophobicContact CG2-CD1 3.62Å; T59-I257 HydrophobicContact CG2-CG1 3.64Å
60E95Very high96.7Very high95 Ų9548.3 Ų48.344%0.44421%0.214SC..THydrogen-bonded Turntrans-57.1-31.6-169.674.3-171.7-175.500113.9R56 R57R56-E60 PolarHBondContact O-N 2.82Å; R57-E60 VanDerWaalsContact O-CG 3.29Å; R57-E60 WeakPolarHBondContact O-CG 3.16Å; R57-E60 PolarHBondContact O-N 3.49Å
61N95.6Very high96.8Very high114 Ų11457 Ų5761%0.6125%0.254SS*.THydrogen-bonded Turntrans-90.2-6.7-176.6-69.4-48.9000113.8T59T59-N61 PolarHBondContact O-N 2.67Å
62W97.9Very high96.8Very high16 Ų1663.9 Ų63.96%0.06129%0.286CS..  trans-65.1140.4-176.4-66.21.4000111.9T59 C64 R65 Y148 T149 P151 W195 A197 I199 I257 I277T59-W62 HydrophobicContact CG2-CD2 3.98Å; T59-W62 HydrophobicContact CG2-CE3 3.85Å; T59-W62 HydrophobicContact CG2-CH2 3.68Å; T59-W62 HydrophobicContact CG2-CZ2 3.77Å; T59-W62 HydrophobicContact CG2-CZ3 3.72Å; T59-W62 WeakPolarHBondContact O-CB 3.27Å; T59-W62 PolarHBondContact O-N 3.4Å; W62-C64 VanDerWaalsContact C-N 3.34Å; W62-C64 PolarHBondContact O-N 3.18Å; W62-R65 HydrophobicContact CB-CG 4.13Å; W62-R65 WeakPolarHBondContact O-CB 3.24Å; W62-R65 PolarHBondContact O-N 2.54Å; W62-Y148 VanDerWaalsContact CD2-CB 3.47Å; W62-Y148 VanDerWaalsContact CE3-CB 3.48Å; W62-Y148 HydrophobicContact CE3-CG 4.43Å; W62-Y148 HydrophobicContact CH2-CD2 4.23Å; W62-Y148 HydrophobicContact CZ2-CD2 4.42Å; W62-Y148 HydrophobicContact CZ3-CD2 4.43Å; W62-Y148 HydrophobicContact CZ3-CG 4.39Å; W62-T149 WeakPolarHBondContact CZ2-O 3.45Å; W62-T149 PolarHBondContact NE1-O 3.41Å; W62-P151 HydrophobicContact CZ2-CG 4.12Å; W62-W195 AromaticContact CH2-CH2 3.8Å; W62-W195 HydrophobicContact CH2-CH2 3.8Å; W62-W195 AromaticContact CH2-CZ3 3.77Å; W62-W195 HydrophobicContact CH2-CZ3 3.77Å; W62-W195 HydrophobicContact CZ3-CH2 4.49Å; W62-W195 HydrophobicContact CZ3-CZ3 4.35Å; W62-A197 HydrophobicContact CH2-CB 3.7Å; W62-A197 HydrophobicContact CZ3-CB 3.44Å; W62-A197 VanDerWaalsContact CZ3-CB 3.44Å; W62-I199 HydrophobicContact CE3-CD1 3.9Å; W62-I199 HydrophobicContact CZ3-CD1 4.02Å; W62-I257 HydrophobicContact CH2-CD1 4.37Å; W62-I277 HydrophobicContact CE3-CD1 4.4Å; W62-I277 HydrophobicContact CZ3-CD1 4.27Å
63K97.2Very high96.8Very high75 Ų7565.5 Ų65.533%0.32630%0.302SS..Hα-helixtrans-63.2-40.8-179.4177.2-179.4168.8-169.50111.3R65 K66 Q67 H145 V147K63-R65 VanDerWaalsContact C-N 3.31Å; K63-R65 PolarHBondContact O-N 3.24Å; K63-K66 PolarHBondContact O-N 2.91Å; K63-Q67 VanDerWaalsContact CG-CD 3.48Å; K63-Q67 HydrophobicContact CG-CG 4.14Å; K63-Q67 WeakPolarHBondContact O-CB 3.3Å; K63-Q67 WeakPolarHBondContact O-CG 3.41Å; K63-Q67 PolarHBondContact O-N 3.27Å; K63-H145 PolarHBondContact NZ-O 3.44Å; K63-V147 PolarHBondContact N-O 2.84Å
64C97.1Very high96.8Very high0 Ų069.1 Ų69.10%032%0.318CS..Hα-helixtrans-58.8-38175.656.20000112.9W62 K66 Q67 W68 V147 I199 I277W62-C64 VanDerWaalsContact C-N 3.34Å; W62-C64 PolarHBondContact O-N 3.18Å; C64-K66 PolarHBondContact O-N 2.84Å; C64-Q67 PolarHBondContact O-N 3.11Å; C64-W68 HydrophobicContact CB-CD2 3.63Å; C64-W68 HydrophobicContact CB-CE3 3.48Å; C64-W68 VanDerWaalsContact CB-CE3 3.48Å; C64-W68 HydrophobicContact CB-CG 4.13Å; C64-W68 HydrophobicContact CB-CZ3 3.96Å; C64-W68 VanDerWaalsContact O-CB 3.3Å; C64-W68 WeakPolarHBondContact O-CB 3.28Å; C64-W68 PolarHBondContact O-N 3.44Å; C64-V147 HydrophobicContact CB-CB 4.14Å; C64-V147 HydrophobicContact CB-CG2 4.33Å; C64-V147 PolarHBondContact N-O 3.23Å; C64-V147 PolarHBondContact SG-O 3.36Å; C64-I199 HydrophobicContact CB-CG2 4.29Å; C64-I277 HydrophobicContact CB-CD1 4.41Å
65R96.8Very high96.8Very high59 Ų5969.4 Ų69.422%0.22332%0.32CS..Hα-helixtrans-62.7-28.2175.8-70.7-68-56.2-75.10.6112.9T59 W62 K63 I199 G255T59-R65 WeakPolarHBondContact O-CG 3.14Å; T59-R65 PolarHBondContact OG1-NH1 3.18Å; W62-R65 HydrophobicContact CB-CG 4.13Å; W62-R65 WeakPolarHBondContact O-CB 3.24Å; W62-R65 PolarHBondContact O-N 2.54Å; K63-R65 VanDerWaalsContact C-N 3.31Å; K63-R65 PolarHBondContact O-N 3.24Å; R65-I199 WeakPolarHBondContact CD-O 3.37Å; R65-I199 PolarHBondContact NE-O 3.47Å; R65-G255 VanDerWaalsContact CZ-CA 3.44Å
66K95.5Very high96.8Very high134 Ų13471.3 Ų71.358%0.58333%0.33SS*.Hα-helixtrans-93.6-26.1-178.4-63.4172.5-1781680113.1K63 C64K63-K66 PolarHBondContact O-N 2.91Å; C64-K66 PolarHBondContact O-N 2.84Å
67Q96.9Very high96.9Very high58 Ų5864.7 Ų64.727%0.27131%0.306SS..Hα-helixtrans-111.1-38.1-170.2-65.7-171.8-10.100113.2K63 C64 V69 N76 K79 E83K63-Q67 VanDerWaalsContact CG-CD 3.48Å; K63-Q67 HydrophobicContact CG-CG 4.14Å; K63-Q67 WeakPolarHBondContact O-CB 3.3Å; K63-Q67 WeakPolarHBondContact O-CG 3.41Å; K63-Q67 PolarHBondContact O-N 3.27Å; C64-Q67 PolarHBondContact O-N 3.11Å; Q67-V69 VanDerWaalsContact C-N 3.29Å; Q67-V69 PolarHBondContact O-N 3.32Å; Q67-N76 WeakPolarHBondContact O-CB 3.18Å; Q67-N76 PolarHBondContact O-ND2 2.61Å; Q67-K79 HydrophobicContact CB-CG 4.12Å; Q67-K79 WeakPolarHBondContact O-CB 3.47Å; Q67-K79 VanDerWaalsContact O-CG 3.26Å; Q67-K79 WeakPolarHBondContact O-CG 3.48Å; Q67-E83 PolarHBondContact OE1-OE1 2.8Å
68W97.9Very high97Very high0 Ų063.9 Ų63.90%031%0.309CS..SBendtrans-87.90.1-177-60.1-8.7000113.2C64 N76 L80 E83 F84 M138 V147 V174 I275C64-W68 HydrophobicContact CB-CD2 3.63Å; C64-W68 HydrophobicContact CB-CE3 3.48Å; C64-W68 VanDerWaalsContact CB-CE3 3.48Å; C64-W68 HydrophobicContact CB-CG 4.13Å; C64-W68 HydrophobicContact CB-CZ3 3.96Å; C64-W68 VanDerWaalsContact O-CB 3.3Å; C64-W68 WeakPolarHBondContact O-CB 3.28Å; C64-W68 PolarHBondContact O-N 3.44Å; W68-N76 PolarHBondContact O-N 2.96Å; W68-L80 HydrophobicContact CB-CD2 4.37Å; W68-L80 HydrophobicContact CD2-CD2 3.96Å; W68-L80 HydrophobicContact CG-CD2 3.85Å; W68-E83 PolarHBondContact NE1-OE2 2.8Å; W68-E83 VanDerWaalsContact NE1-OE2 3.12Å; W68-F84 AromaticContact CZ2-CE2 3.83Å; W68-F84 HydrophobicContact CZ2-CE2 3.83Å; W68-F84 HydrophobicContact CZ2-CZ 4.17Å; W68-M138 HydrophobicContact CH2-CE 4.1Å; W68-V147 HydrophobicContact CH2-CB 4.28Å; W68-V147 HydrophobicContact CH2-CG1 4.36Å; W68-V147 HydrophobicContact CH2-CG2 3.68Å; W68-V147 HydrophobicContact CZ2-CB 4.03Å; W68-V147 HydrophobicContact CZ2-CG1 3.75Å; W68-V147 HydrophobicContact CZ2-CG2 3.92Å; W68-V147 HydrophobicContact CZ3-CG2 4.33Å; W68-V174 HydrophobicContact CH2-CG1 4.5Å; W68-V174 HydrophobicContact CH2-CG2 4.07Å; W68-V174 HydrophobicContact CZ3-CG1 4.2Å; W68-V174 HydrophobicContact CZ3-CG2 4.28Å; W68-I275 HydrophobicContact CB-CD1 4.21Å; W68-I275 HydrophobicContact CE3-CG2 3.93Å; W68-I275 HydrophobicContact CZ3-CG2 4.24Å
69V97.9Very high97.1Very high23 Ų2364 Ų6414%0.13931%0.309CS..BIsolated β-bridgetrans-124.4136.8-177.8-166.40000109.2Q67 K74 I199 C200Q67-V69 VanDerWaalsContact C-N 3.29Å; Q67-V69 PolarHBondContact O-N 3.32Å; V69-K74 CarbonylContact C-O 3.59Å; V69-K74 WeakPolarHBondContact CA-O 3.4Å; V69-I199 HydrophobicContact CG2-CG2 3.7Å; V69-C200 HydrophobicContact CG1-CB 3.89Å; V69-C200 HydrophobicContact CG2-CB 3.86Å
70T98Very high97.1Very high42 Ų4264 Ų6426%0.25831%0.309SS..  trans-79.8171.5174.272.60000111.4E72 G73 K74 N76T70-E72 WeakPolarHBondContact CB-OE2 3.32Å; T70-E72 PolarHBondContact O-N 3.3Å; T70-E72 PolarHBondContact OG1-N 2.85Å; T70-E72 PolarHBondContact OG1-OE2 3.26Å; T70-G73 PolarHBondContact O-N 3.04Å; T70-K74 PolarHBondContact N-O 2.86Å; T70-K74 PolarHBondContact OG1-N 3.49Å; T70-N76 HydrophobicContact CG2-CB 3.96Å
71E95.4Very high97.2Very high200 Ų20061.2 Ų61.294%0.93530%0.297SS*.THydrogen-bonded Turntrans-61.1-27.6175.9-64.5-174.2175.300112.4G73E71-G73 PolarHBondContact O-N 3.48Å
72E95.9Very high97.3Very high147 Ų14762 Ų6269%0.68730%0.297SS*.THydrogen-bonded Turntrans-82.44.2175.3-49.680.5-174.700113.6T70 K74T70-E72 WeakPolarHBondContact CB-OE2 3.32Å; T70-E72 PolarHBondContact O-N 3.3Å; T70-E72 PolarHBondContact OG1-N 2.85Å; T70-E72 PolarHBondContact OG1-OE2 3.26Å; E72-K74 HydrophobicContact CB-CG 4.49Å
73G96.1Very high97.1Very high33 Ų3363 Ų6334%0.3430%0.302SS..SBendtrans771917900000114.4T70 E71T70-G73 PolarHBondContact O-N 3.04Å; E71-G73 PolarHBondContact O-N 3.48Å
74K97.6Very high97.1Very high82 Ų8259.5 Ų59.536%0.35729%0.287SS..SBendtrans-102.2161.5-179.6-61.1-58.4178.7-174.50111.9V69 T70 E72 N76 E272V69-K74 CarbonylContact C-O 3.59Å; V69-K74 WeakPolarHBondContact CA-O 3.4Å; T70-K74 PolarHBondContact N-O 2.86Å; T70-K74 PolarHBondContact OG1-N 3.49Å; E72-K74 HydrophobicContact CB-CG 4.49Å; K74-N76 PolarHBondContact O-N 2.95Å; K74-E272 IonicContact NZ-OE2 3.57Å; K74-E272 PolarHBondContact NZ-OE2 2.92Å
75P98.4Very high97Very high8 Ų862.3 Ų62.35%0.05230%0.302CS..BIsolated β-bridgetrans-53.1125.8172.9-3037.6000112.8F77 W116 D273 I275P75-F77 VanDerWaalsContact C-N 3.35Å; P75-F77 HydrophobicContact CB-CD1 4.07Å; P75-F77 HydrophobicContact CB-CE1 3.6Å; P75-F77 HydrophobicContact CB-CZ 3.95Å; P75-F77 HydrophobicContact CG-CE1 4.41Å; P75-F77 HydrophobicContact CG-CZ 4.46Å; P75-F77 PolarHBondContact O-N 2.82Å; P75-W116 HydrophobicContact CB-CH2 4.34Å; P75-W116 HydrophobicContact CG-CH2 3.93Å; P75-W116 HydrophobicContact CG-CZ2 3.85Å; P75-D273 HydrophobicContact CG-CB 4.01Å; P75-I275 HydrophobicContact CB-CD1 3.95Å; P75-I275 HydrophobicContact CB-CG1 4.45Å; P75-I275 HydrophobicContact CG-CD1 4.34Å; P75-I275 HydrophobicContact CG-CG1 4.39Å
76N98.5Very high97Very high41 Ų4165.4 Ų65.422%0.21932%0.319CS..  trans-83.279.9174.8-171-16.2000110.4Q67 W68 T70 K74 Q78 K79 L80Q67-N76 WeakPolarHBondContact O-CB 3.18Å; Q67-N76 PolarHBondContact O-ND2 2.61Å; W68-N76 PolarHBondContact O-N 2.96Å; T70-N76 HydrophobicContact CG2-CB 3.96Å; K74-N76 PolarHBondContact O-N 2.95Å; N76-Q78 PolarHBondContact O-N 3.12Å; N76-Q78 PolarHBondContact OD1-N 3.31Å; N76-K79 HydrophobicContact CB-CB 4.14Å; N76-K79 VanDerWaalsContact CG-CB 3.47Å; N76-K79 PolarHBondContact O-N 3.21Å; N76-K79 PolarHBondContact OD1-N 2.96Å; N76-K79 VanDerWaalsContact OD1-N 3.1Å; N76-L80 WeakPolarHBondContact O-CG 3.5Å; N76-L80 PolarHBondContact O-N 3.22Å; N76-L80 VanDerWaalsContact O-N 3.07Å
77F98.4Very high97.1Very high29 Ų2959.5 Ų59.513%0.12730%0.295CS..Hα-helixtrans-58.7-34.6-178.7-63.6-44.4000113.6P75 L81 I113 W116 K117 I120P75-F77 VanDerWaalsContact C-N 3.35Å; P75-F77 HydrophobicContact CB-CD1 4.07Å; P75-F77 HydrophobicContact CB-CE1 3.6Å; P75-F77 HydrophobicContact CB-CZ 3.95Å; P75-F77 HydrophobicContact CG-CE1 4.41Å; P75-F77 HydrophobicContact CG-CZ 4.46Å; P75-F77 PolarHBondContact O-N 2.82Å; F77-L81 WeakPolarHBondContact O-CB 3.32Å; F77-L81 WeakPolarHBondContact O-CD1 3.26Å; F77-L81 WeakPolarHBondContact O-CG 2.98Å; F77-L81 PolarHBondContact O-N 3.03Å; F77-I113 HydrophobicContact CB-CG2 3.82Å; F77-I113 HydrophobicContact CD1-CD1 4.4Å; F77-I113 HydrophobicContact CD1-CG1 4.23Å; F77-I113 HydrophobicContact CD1-CG2 3.85Å; F77-I113 HydrophobicContact CG-CG2 3.88Å; F77-W116 AromaticContact CE1-CD2 3.65Å; F77-W116 HydrophobicContact CE1-CD2 3.65Å; F77-W116 AromaticContact CE1-CE3 3.55Å; F77-W116 HydrophobicContact CE1-CE3 3.55Å; F77-W116 HydrophobicContact CE1-CG 4.17Å; F77-W116 HydrophobicContact CE1-CH2 4.28Å; F77-W116 HydrophobicContact CE1-CZ2 4.38Å; F77-W116 AromaticContact CE1-CZ3 3.88Å; F77-W116 HydrophobicContact CE1-CZ3 3.88Å; F77-W116 HydrophobicContact CZ-CB 4.49Å; F77-W116 AromaticContact CZ-CD2 3.69Å; F77-W116 HydrophobicContact CZ-CD2 3.69Å; F77-W116 AromaticContact CZ-CE2 3.86Å; F77-W116 HydrophobicContact CZ-CE3 4.11Å; F77-W116 AromaticContact CZ-CG 3.87Å; F77-W116 HydrophobicContact CZ-CG 3.87Å; F77-W116 HydrophobicContact CZ-CZ2 4.4Å; F77-K117 HydrophobicContact CD2-CD 4.32Å; F77-K117 HydrophobicContact CD2-CG 3.82Å; F77-K117 HydrophobicContact CE2-CG 3.92Å; F77-I120 HydrophobicContact CE2-CD1 4.24Å; F77-I120 HydrophobicContact CZ-CD1 4.27Å
78Q98Very high97.1Very high135 Ų13560.8 Ų60.863%0.63131%0.308SS*.Hα-helixtrans-64.1-44.8178.9-178177.93.400110.8N76 L81 Q82N76-Q78 PolarHBondContact O-N 3.12Å; N76-Q78 PolarHBondContact OD1-N 3.31Å; Q78-L81 PolarHBondContact O-N 3.23Å; Q78-Q82 VanDerWaalsContact O-CG 3.3Å; Q78-Q82 WeakPolarHBondContact O-CG 3.4Å; Q78-Q82 PolarHBondContact O-N 2.91Å
79K97.3Very high97.2Very high54 Ų5460.8 Ų60.824%0.23531%0.308CS..Hα-helixtrans-67.3-42.6179.3-173.549.9162.2151.20112.1Q67 N76 L81 Q82 E83Q67-K79 HydrophobicContact CB-CG 4.12Å; Q67-K79 WeakPolarHBondContact O-CB 3.47Å; Q67-K79 VanDerWaalsContact O-CG 3.26Å; Q67-K79 WeakPolarHBondContact O-CG 3.48Å; N76-K79 HydrophobicContact CB-CB 4.14Å; N76-K79 VanDerWaalsContact CG-CB 3.47Å; N76-K79 PolarHBondContact O-N 3.21Å; N76-K79 PolarHBondContact OD1-N 2.96Å; N76-K79 VanDerWaalsContact OD1-N 3.1Å; K79-L81 PolarHBondContact O-N 3.3Å; K79-Q82 PolarHBondContact O-N 2.96Å; K79-E83 HydrophobicContact CD-CG 4.34Å; K79-E83 WeakPolarHBondContact CE-OE1 3.42Å; K79-E83 IonicContact NZ-OE1 3.47Å; K79-E83 PolarHBondContact NZ-OE1 2.97Å; K79-E83 WeakPolarHBondContact O-CG 3.38Å; K79-E83 PolarHBondContact O-N 3.38Å
80L97.6Very high97.2Very high0 Ų060.9 Ų60.90%031%0.309CS..Hα-helixtrans-61-43.7176.3-70.5168.8000112.1W68 N76 E83 F84 I113 M176 I275W68-L80 HydrophobicContact CB-CD2 4.37Å; W68-L80 HydrophobicContact CD2-CD2 3.96Å; W68-L80 HydrophobicContact CG-CD2 3.85Å; N76-L80 WeakPolarHBondContact O-CG 3.5Å; N76-L80 PolarHBondContact O-N 3.22Å; N76-L80 VanDerWaalsContact O-N 3.07Å; L80-E83 PolarHBondContact O-N 2.88Å; L80-F84 HydrophobicContact CD2-CD2 4.43Å; L80-F84 PolarHBondContact O-N 3.35Å; L80-I113 HydrophobicContact CB-CD1 3.86Å; L80-M176 HydrophobicContact CD1-SD 4.21Å; L80-M176 HydrophobicContact CD2-CE 4.35Å; L80-I275 HydrophobicContact CD1-CD1 3.95Å
81L98Very high97.2Very high36 Ų3658.9 Ų58.919%0.18830%0.297CS..Hα-helixtrans-63.6-42.5175.5-71169.4000111.6F77 Q78 K79 E83 D85 K110 I113F77-L81 WeakPolarHBondContact O-CB 3.32Å; F77-L81 WeakPolarHBondContact O-CD1 3.26Å; F77-L81 WeakPolarHBondContact O-CG 2.98Å; F77-L81 PolarHBondContact O-N 3.03Å; Q78-L81 PolarHBondContact O-N 3.23Å; K79-L81 PolarHBondContact O-N 3.3Å; L81-E83 PolarHBondContact O-N 2.9Å; L81-D85 WeakPolarHBondContact O-CA 3.35Å; L81-D85 VanDerWaalsContact O-CB 3.23Å; L81-D85 WeakPolarHBondContact O-CB 3.49Å; L81-D85 PolarHBondContact O-N 3.47Å; L81-K110 HydrophobicContact CD2-CB 3.77Å; L81-I113 HydrophobicContact CD1-CG2 3.97Å; L81-I113 HydrophobicContact CD2-CB 4.14Å; L81-I113 HydrophobicContact CD2-CD1 3.78Å; L81-I113 HydrophobicContact CD2-CG1 4.49Å; L81-I113 HydrophobicContact CD2-CG2 4.21Å; L81-I113 HydrophobicContact CG-CD1 3.82Å; L81-I113 HydrophobicContact CG-CG2 4.14Å
82Q96.7Very high97.3Very high130 Ų13049.3 Ų49.361%0.60725%0.252SS*.Hα-helixtrans-59.8-31.4177.7-76.7173.2-4.300113.6Q78 K79Q78-Q82 VanDerWaalsContact O-CG 3.3Å; Q78-Q82 WeakPolarHBondContact O-CG 3.4Å; Q78-Q82 PolarHBondContact O-N 2.91Å; K79-Q82 PolarHBondContact O-N 2.96Å
83E94.2Very high97.3Very high36 Ų3644.3 Ų44.317%0.16823%0.23CC..Hα-helixtrans-91.6-34.9-176.2-68-179.3166.700112.6Q67 W68 K79 L80 L81Q67-E83 PolarHBondContact OE1-OE1 2.8Å; W68-E83 PolarHBondContact NE1-OE2 2.8Å; W68-E83 VanDerWaalsContact NE1-OE2 3.12Å; K79-E83 HydrophobicContact CD-CG 4.34Å; K79-E83 WeakPolarHBondContact CE-OE1 3.42Å; K79-E83 IonicContact NZ-OE1 3.47Å; K79-E83 PolarHBondContact NZ-OE1 2.97Å; K79-E83 WeakPolarHBondContact O-CG 3.38Å; K79-E83 PolarHBondContact O-N 3.38Å; L80-E83 PolarHBondContact O-N 2.88Å; L81-E83 PolarHBondContact O-N 2.9Å
84F96.6Very high97.4Very high2 Ų243 Ų431%0.00922%0.216CC..Hα-helixtrans-139.820.3-162.6-51.8-67000114.3W68 L80 E86 S87 L109 W136 M138 F142 H145W68-F84 AromaticContact CZ2-CE2 3.83Å; W68-F84 HydrophobicContact CZ2-CE2 3.83Å; W68-F84 HydrophobicContact CZ2-CZ 4.17Å; L80-F84 HydrophobicContact CD2-CD2 4.43Å; L80-F84 PolarHBondContact O-N 3.35Å; F84-E86 PolarHBondContact O-N 3.07Å; F84-S87 WeakPolarHBondContact CA-OG 3.34Å; F84-S87 WeakPolarHBondContact O-CB 3.08Å; F84-S87 PolarHBondContact O-N 3.13Å; F84-S87 PolarHBondContact O-OG 3.46Å; F84-S87 VanDerWaalsContact O-OG 3.14Å; F84-L109 HydrophobicContact CB-CD2 3.44Å; F84-L109 VanDerWaalsContact CB-CD2 3.44Å; F84-L109 HydrophobicContact CG-CD2 4.47Å; F84-L109 VanDerWaalsContact O-CB 3.3Å; F84-L109 WeakPolarHBondContact O-CB 3.17Å; F84-L109 WeakPolarHBondContact O-CD2 3.4Å; F84-W136 HydrophobicContact CB-CH2 3.94Å; F84-W136 HydrophobicContact CB-CZ2 4.38Å; F84-W136 AromaticContact CD1-CH2 3.92Å; F84-W136 HydrophobicContact CD1-CH2 3.92Å; F84-W136 HydrophobicContact CD1-CZ2 4.18Å; F84-W136 AromaticContact CD2-CH2 3.9Å; F84-W136 HydrophobicContact CD2-CH2 3.9Å; F84-W136 HydrophobicContact CE1-CH2 4.37Å; F84-W136 HydrophobicContact CE2-CH2 4.36Å; F84-W136 AromaticContact CG-CH2 3.66Å; F84-W136 HydrophobicContact CG-CH2 3.66Å; F84-W136 HydrophobicContact CG-CZ2 4.26Å; F84-M138 HydrophobicContact CE1-CG 4.21Å; F84-M138 HydrophobicContact CE1-SD 4.16Å; F84-M138 HydrophobicContact CZ-CG 4.25Å; F84-M138 HydrophobicContact CZ-SD 4.01Å; F84-F142 HydrophobicContact CD1-CD1 4.3Å; F84-F142 AromaticContact CD1-CD2 3.98Å; F84-F142 HydrophobicContact CD1-CD2 3.98Å; F84-F142 HydrophobicContact CD1-CE1 4.21Å; F84-F142 AromaticContact CD1-CE2 3.91Å; F84-F142 HydrophobicContact CD1-CE2 3.91Å; F84-F142 HydrophobicContact CD1-CG 4.2Å; F84-F142 HydrophobicContact CD1-CZ 4.03Å; F84-F142 HydrophobicContact CE1-CB 4.27Å; F84-F142 HydrophobicContact CE1-CD1 4.14Å; F84-F142 AromaticContact CE1-CD2 3.86Å; F84-F142 HydrophobicContact CE1-CD2 3.86Å; F84-F142 HydrophobicContact CE1-CE2 4.27Å; F84-F142 AromaticContact CE1-CG 3.81Å; F84-F142 HydrophobicContact CE1-CG 3.81Å; F84-H145 AromaticContact CE1-CD2 3.6Å; F84-H145 AromaticContact CE1-NE2 3.69Å; F84-H145 AromaticContact CZ-CD2 3.48Å; F84-H145 VanDerWaalsContact CZ-CD2 3.48Å; F84-H145 WeakPolarHBondContact CZ-CD2 3.16Å; F84-H145 AromaticContact CZ-NE2 3.98Å
85D94.8Very high97.2Very high59 Ų5944.7 Ų44.732%0.31623%0.229SC..THydrogen-bonded Turntrans-40.3-61.2-173.5-164.3-45.7000114.2L81 S87 L109 K110L81-D85 WeakPolarHBondContact O-CA 3.35Å; L81-D85 VanDerWaalsContact O-CB 3.23Å; L81-D85 WeakPolarHBondContact O-CB 3.49Å; L81-D85 PolarHBondContact O-N 3.47Å; D85-S87 VanDerWaalsContact C-N 3.3Å; D85-S87 PolarHBondContact O-N 3.38Å; D85-L109 PolarHBondContact O-N 3.3Å; D85-K110 PolarHBondContact O-N 3.33Å; D85-K110 WeakPolarHBondContact OD1-CB 3.44Å; D85-K110 WeakPolarHBondContact OD1-CD 3.45Å; D85-K110 WeakPolarHBondContact OD1-CG 3.23Å
86E97.1Very high97Very high124 Ų12445.7 Ų45.758%0.57924%0.237SC*.THydrogen-bonded Turntrans-87.41.9-173.7-57.7-64.4162.900113F84 K110F84-E86 PolarHBondContact O-N 3.07Å; E86-K110 IonicContact OE1-NZ 2.76Å; E86-K110 PolarHBondContact OE1-NZ 2.82Å; E86-K110 WeakPolarHBondContact OE2-CE 3.28Å; E86-K110 IonicContact OE2-NZ 3.89Å; E86-K110 PolarHBondContact OE2-NZ 3.44Å
87S97.6Very high96.7Very high10 Ų1049.3 Ų49.37%0.0725%0.251CS..  trans-61.9127.7-176.8-61.80000110.1F84 D85 V89 P108 L109 F142F84-S87 WeakPolarHBondContact CA-OG 3.34Å; F84-S87 WeakPolarHBondContact O-CB 3.08Å; F84-S87 PolarHBondContact O-N 3.13Å; F84-S87 PolarHBondContact O-OG 3.46Å; F84-S87 VanDerWaalsContact O-OG 3.14Å; D85-S87 VanDerWaalsContact C-N 3.3Å; D85-S87 PolarHBondContact O-N 3.38Å; S87-V89 PolarHBondContact O-N 2.88Å; S87-P108 WeakPolarHBondContact O-CA 3.49Å; S87-L109 PolarHBondContact O-N 2.89Å; S87-F142 WeakPolarHBondContact OG-CZ 3.37Å
88P97.9Very high96.3Very high85 Ų8553.2 Ų53.255%0.55227%0.27SS*.EExtended strand (participates in β ladder)trans-70.1120.4174.428.3-32.3000109.1V106P88-V106 HydrophobicContact CB-CG1 3.67Å
89V98.3Very high95.7Very high0 Ų057.8 Ų57.80%028%0.283CS..EExtended strand (participates in β ladder)trans-121.8137.6-177.2-65.20000112.1S87 V91 V106 M107 L109 F112 L133 W136S87-V89 PolarHBondContact O-N 2.88Å; V89-V91 HydrophobicContact CG2-CG2 4.06Å; V89-V106 WeakPolarHBondContact O-CA 3.45Å; V89-M107 WeakPolarHBondContact CG2-O 3.39Å; V89-M107 PolarHBondContact N-O 3.28Å; V89-M107 PolarHBondContact O-N 3.09Å; V89-L109 HydrophobicContact CG1-CB 4.16Å; V89-L109 HydrophobicContact CG1-CD1 4.17Å; V89-L109 HydrophobicContact CG2-CB 4.24Å; V89-L109 HydrophobicContact CG2-CD1 4.16Å; V89-F112 HydrophobicContact CG2-CB 4.49Å; V89-L133 HydrophobicContact CB-CD1 3.65Å; V89-L133 HydrophobicContact CB-CG 4.02Å; V89-L133 HydrophobicContact CG1-CD1 3.9Å; V89-L133 HydrophobicContact CG2-CD1 3.72Å; V89-L133 HydrophobicContact CG2-CG 4.31Å; V89-W136 HydrophobicContact CG1-CD2 3.79Å; V89-W136 HydrophobicContact CG1-CE3 4.32Å; V89-W136 HydrophobicContact CG1-CG 4.04Å; V89-W136 HydrophobicContact CG1-CZ2 4.19Å
90P98.2Very high95.1Very high25 Ų2558.1 Ų58.116%0.16229%0.288CS..EExtended strand (participates in β ladder)trans-74.3124.9173.527.5-32000111L133 K134 D135 W136P90-L133 VanDerWaalsContact O-CA 3.32Å; P90-L133 WeakPolarHBondContact O-CA 3.4Å; P90-K134 WeakPolarHBondContact CB-O 3.16Å; P90-K134 WeakPolarHBondContact CG-O 3.49Å; P90-K134 PolarHBondContact O-N 3.38Å; P90-K134 VanDerWaalsContact O-N 3.14Å; P90-D135 WeakPolarHBondContact CG-O 3.5Å; P90-W136 HydrophobicContact CG-CB 4.18Å
91V98.4Very high94.6Very high0 Ų060.2 Ų60.20%031%0.305CS..EExtended strand (participates in β ladder)trans-127.1115.9-176.7179.10000109.8V89 K104 Q105 M107 F112 L131 Y132 L133V89-V91 HydrophobicContact CG2-CG2 4.06Å; V91-K104 WeakPolarHBondContact O-CA 3.44Å; V91-Q105 PolarHBondContact N-O 2.83Å; V91-Q105 PolarHBondContact O-N 2.83Å; V91-M107 HydrophobicContact CB-CE 4.01Å; V91-M107 HydrophobicContact CB-CG 4.39Å; V91-M107 HydrophobicContact CB-SD 4.33Å; V91-M107 HydrophobicContact CG1-CE 4.07Å; V91-M107 HydrophobicContact CG1-SD 4.41Å; V91-M107 HydrophobicContact CG2-CE 4.29Å; V91-M107 HydrophobicContact CG2-CG 3.74Å; V91-M107 HydrophobicContact CG2-SD 3.96Å; V91-F112 HydrophobicContact CB-CD2 4.45Å; V91-F112 HydrophobicContact CG1-CD2 3.75Å; V91-F112 HydrophobicContact CG1-CE2 3.91Å; V91-F112 HydrophobicContact CG2-CB 4.26Å; V91-F112 HydrophobicContact CG2-CD2 3.75Å; V91-F112 HydrophobicContact CG2-CE2 4.36Å; V91-F112 HydrophobicContact CG2-CG 4.05Å; V91-L131 HydrophobicContact CG1-CB 3.63Å; V91-L131 HydrophobicContact CG1-CD1 4.25Å; V91-L131 HydrophobicContact CG1-CG 4.36Å; V91-Y132 CarbonylContact C-O 3.58Å; V91-L133 HydrophobicContact CG2-CB 4.36Å
92A97.7Very high94.4Very high0 Ų058.8 Ų58.80%030%0.297CS..EExtended strand (participates in β ladder)trans-85.5145.817700000112.2N102 P103 K104 L131 Y132 K134A92-N102 HydrophobicContact CB-CB 3.79Å; A92-P103 CarbonylContact C-O 3.56Å; A92-P103 VanDerWaalsContact CA-O 3.26Å; A92-P103 WeakPolarHBondContact CA-O 3.33Å; A92-K104 HydrophobicContact CB-CG 4.06Å; A92-L131 CarbonylContact O-C 3.54Å; A92-L131 VanDerWaalsContact O-CA 3.27Å; A92-L131 WeakPolarHBondContact O-CA 3.32Å; A92-Y132 PolarHBondContact N-O 3.25Å; A92-Y132 PolarHBondContact O-N 3.22Å; A92-K134 HydrophobicContact CB-CD 3.79Å; A92-K134 HydrophobicContact CB-CG 3.92Å
93N97Very high94.3Very high41 Ų4153.9 Ų53.922%0.21928%0.277CS..EExtended strand (participates in β ladder)trans-98.5108.4169.4-174.1-14.1000110.9N95 A96 P103 K128 L131N93-N95 PolarHBondContact O-N 2.93Å; N93-N95 PolarHBondContact OD1-N 2.97Å; N93-A96 HydrophobicContact CB-CB 4.2Å; N93-A96 PolarHBondContact O-N 3.04Å; N93-P103 PolarHBondContact N-O 3.35Å; N93-K128 PolarHBondContact ND2-O 2.98Å; N93-L131 HydrophobicContact CB-CD2 3.91Å
94C96.7Very high94.3Very high5 Ų557.3 Ų57.33%0.03429%0.291CS..THydrogen-bonded Turntrans-69.4-13.2-177.5-67.40000114.3C130 W182C94-C130 HydrophobicContact CB-CB 4.15Å; C94-C130 VanDerWaalsContact CB-O 3.28Å; C94-C130 WeakPolarHBondContact CB-O 3.32Å; C94-C130 PolarHBondContact N-O 3.24Å; C94-W182 PolarHBondContact O-NE1 3.4Å; C94-W182 VanDerWaalsContact O-NE1 3.11Å; C94-W182 PolarHBondContact SG-N 2.96Å; C94-W182 VanDerWaalsContact SG-N 3.44Å; C94-W182 PolarHBondContact SG-O 2.86Å; C94-W182 VanDerWaalsContact SG-O 3.32Å
95N94.7Very high94.3Very high119 Ų11962.1 Ų62.164%0.63631%0.314SS*.THydrogen-bonded Turntrans-94.9-5.1175.9-66.399.9000113.4N93 G129 C130N93-N95 PolarHBondContact O-N 2.93Å; N93-N95 PolarHBondContact OD1-N 2.97Å; N95-G129 VanDerWaalsContact OD1-CA 3.29Å; N95-G129 WeakPolarHBondContact OD1-CA 3.25Å; N95-C130 WeakPolarHBondContact OD1-CB 3.49Å; N95-C130 PolarHBondContact OD1-N 3.11Å
96A93.5Very high94.4Very high28 Ų2864.3 Ų64.323%0.23133%0.329CS..  trans-110.1148.5176.800000110.4N93 P103 Y225N93-A96 HydrophobicContact CB-CB 4.2Å; N93-A96 PolarHBondContact O-N 3.04Å; A96-P103 HydrophobicContact CB-CG 3.55Å; A96-P103 WeakPolarHBondContact O-CD 3.3Å; A96-Y225 PolarHBondContact O-OH 2.9Å
97K92.6Very high94.5Very high117 Ų11759.5 Ų59.551%0.50931%0.307SS..  trans-126.6120178.7178.8-177.5178.8-178.90109N100 A101 Y225K97-N100 WeakPolarHBondContact CE-OD1 3.44Å; K97-N100 PolarHBondContact NZ-OD1 2.89Å; K97-A101 WeakPolarHBondContact CA-O 3.03Å; K97-Y225 HydrophobicContact CB-CE1 4.33Å; K97-Y225 HydrophobicContact CB-CE2 4.34Å; K97-Y225 HydrophobicContact CD-CD1 4Å; K97-Y225 HydrophobicContact CD-CD2 4.03Å; K97-Y225 HydrophobicContact CD-CE1 4.28Å; K97-Y225 HydrophobicContact CD-CE2 4.3Å; K97-Y225 HydrophobicContact CD-CG 3.85Å; K97-Y225 HydrophobicContact CG-CD1 4.47Å; K97-Y225 HydrophobicContact CG-CD2 4.01Å; K97-Y225 HydrophobicContact CG-CE1 4.33Å; K97-Y225 HydrophobicContact CG-CE2 3.85Å; K97-Y225 HydrophobicContact CG-CG 4.3Å
98E89.7Confident94.5Very high112 Ų11260.7 Ų60.752%0.52331%0.314SS..BIsolated β-bridgetrans-132.2123171.3-70.7-177.4-160.900108.2N100 A101 P103E98-N100 VanDerWaalsContact C-N 3.32Å; E98-N100 PolarHBondContact O-N 3.18Å; E98-A101 PolarHBondContact N-O 3.32Å; E98-A101 CarbonylContact O-C 3.55Å; E98-A101 PolarHBondContact O-N 3.24Å; E98-A101 VanDerWaalsContact O-O 3.07Å; E98-P103 HydrophobicContact CB-CB 4.23Å; E98-P103 VanDerWaalsContact CD-CB 3.48Å; E98-P103 HydrophobicContact CG-CB 4Å; E98-P103 HydrophobicContact CG-CG 4.1Å
99Y84.9Confident94.6Very high230 Ų23056.6 Ų56.690%0.90229%0.288SS*.THydrogen-bonded Turntrans49.246-179.3-52.3-76.4000114.4A101Y99-A101 PolarHBondContact O-N 2.77Å
100N84.8Confident94.6Very high62 Ų6260 Ų6033%0.33230%0.303SS..THydrogen-bonded Turntrans58.422-175.5-73.6-26.6000115.1K97 E98 Y225K97-N100 WeakPolarHBondContact CE-OD1 3.44Å; K97-N100 PolarHBondContact NZ-OD1 2.89Å; E98-N100 VanDerWaalsContact C-N 3.32Å; E98-N100 PolarHBondContact O-N 3.18Å; N100-Y225 HydrophobicContact CB-CD2 4.39Å; N100-Y225 VanDerWaalsContact O-CD2 3.32Å; N100-Y225 WeakPolarHBondContact O-CD2 3.33Å
101A88.4Confident94.6Very high44 Ų4463.9 Ų63.936%0.36432%0.318SS..BIsolated β-bridgetrans-131168.1173.300000111.6K97 E98 Y99K97-A101 WeakPolarHBondContact CA-O 3.03Å; E98-A101 PolarHBondContact N-O 3.32Å; E98-A101 CarbonylContact O-C 3.55Å; E98-A101 PolarHBondContact O-N 3.24Å; E98-A101 VanDerWaalsContact O-O 3.07Å; Y99-A101 PolarHBondContact O-N 2.77Å
102N92.5Very high94.6Very high5 Ų563.9 Ų63.93%0.02732%0.318CS..  trans-79.4125167.9-50.8122.2000109.3A92 W182 P184 Y225A92-N102 HydrophobicContact CB-CB 3.79Å; N102-W182 PolarHBondContact OD1-O 3.46Å; N102-P184 WeakPolarHBondContact OD1-CD 3.28Å; N102-Y225 PolarHBondContact ND2-OH 2.88Å
103P93.9Very high94.7Very high28 Ų2863.9 Ų63.918%0.18232%0.318CS..  trans-65.9144.1175.827.9-33.4000110.7A92 N93 A96 E98A92-P103 CarbonylContact C-O 3.56Å; A92-P103 VanDerWaalsContact CA-O 3.26Å; A92-P103 WeakPolarHBondContact CA-O 3.33Å; N93-P103 PolarHBondContact N-O 3.35Å; A96-P103 HydrophobicContact CB-CG 3.55Å; A96-P103 WeakPolarHBondContact O-CD 3.3Å; E98-P103 HydrophobicContact CB-CB 4.23Å; E98-P103 VanDerWaalsContact CD-CB 3.48Å; E98-P103 HydrophobicContact CG-CB 4Å; E98-P103 HydrophobicContact CG-CG 4.1Å
104K95.1Very high94.7Very high108 Ų10867.1 Ų67.147%0.4733%0.332SS..EExtended strand (participates in β ladder)trans-114.2145.9-176.9-64.7175.7-172.6168.20111.5V91 A92 D135V91-K104 WeakPolarHBondContact O-CA 3.44Å; A92-K104 HydrophobicContact CB-CG 4.06Å; K104-D135 WeakPolarHBondContact CE-OD2 3.49Å; K104-D135 IonicContact NZ-OD2 3.8Å; K104-D135 PolarHBondContact NZ-OD2 2.61Å
105Q96.3Very high94.8Very high103 Ų10367.1 Ų67.148%0.48133%0.331SS..EExtended strand (participates in β ladder)trans-127.9153.7165.662.6-174.3-23.500109.3V91 M107V91-Q105 PolarHBondContact N-O 2.83Å; V91-Q105 PolarHBondContact O-N 2.83Å; Q105-M107 HydrophobicContact CG-CE 3.71Å
106V98.1Very high95Very high104 Ų10461.4 Ų61.463%0.6330%0.301SS*.EExtended strand (participates in β ladder)trans-94.7132.7172.8178.80000108.7P88 V89P88-V106 HydrophobicContact CB-CG1 3.67Å; V89-V106 WeakPolarHBondContact O-CA 3.45Å
107M98.1Very high95.2Very high24 Ų2463.7 Ų63.712%0.11831%0.306CS..EExtended strand (participates in β ladder)trans-144160.2173.465.1-178.666.100110.9V89 V91 Q105 E111 F112 L131V89-M107 WeakPolarHBondContact CG2-O 3.39Å; V89-M107 PolarHBondContact N-O 3.28Å; V89-M107 PolarHBondContact O-N 3.09Å; V91-M107 HydrophobicContact CB-CE 4.01Å; V91-M107 HydrophobicContact CB-CG 4.39Å; V91-M107 HydrophobicContact CB-SD 4.33Å; V91-M107 HydrophobicContact CG1-CE 4.07Å; V91-M107 HydrophobicContact CG1-SD 4.41Å; V91-M107 HydrophobicContact CG2-CE 4.29Å; V91-M107 HydrophobicContact CG2-CG 3.74Å; V91-M107 HydrophobicContact CG2-SD 3.96Å; Q105-M107 HydrophobicContact CG-CE 3.71Å; M107-E111 HydrophobicContact SD-CB 4.48Å; M107-F112 HydrophobicContact CG-CB 4.33Å; M107-F112 HydrophobicContact SD-CB 3.93Å; M107-L131 HydrophobicContact CE-CD1 4.44Å
108P98.4Very high95.5Very high34 Ų3461.7 Ų61.722%0.22130%0.298CS..EExtended strand (participates in β ladder)trans-60.6141.6171.1-2334.2000111.9S87 K110 E111 F112S87-P108 WeakPolarHBondContact O-CA 3.49Å; P108-K110 HydrophobicContact CB-CG 3.92Å; P108-K110 PolarHBondContact O-N 3.03Å; P108-E111 HydrophobicContact CB-CG 4.3Å; P108-E111 HydrophobicContact CG-CG 4.35Å; P108-E111 WeakPolarHBondContact O-CB 3.3Å; P108-E111 PolarHBondContact O-N 2.79Å; P108-F112 PolarHBondContact O-N 3.31Å
109L98.6Very high95.9Very high0 Ų057.2 Ų57.20%028%0.277CS..Hα-helixtrans-56.8-36.4-179.5-177.468.2000112.4F84 D85 S87 V89 E111 F112 I113 L133 M176F84-L109 HydrophobicContact CB-CD2 3.44Å; F84-L109 VanDerWaalsContact CB-CD2 3.44Å; F84-L109 HydrophobicContact CG-CD2 4.47Å; F84-L109 VanDerWaalsContact O-CB 3.3Å; F84-L109 WeakPolarHBondContact O-CB 3.17Å; F84-L109 WeakPolarHBondContact O-CD2 3.4Å; D85-L109 PolarHBondContact O-N 3.3Å; S87-L109 PolarHBondContact O-N 2.89Å; V89-L109 HydrophobicContact CG1-CB 4.16Å; V89-L109 HydrophobicContact CG1-CD1 4.17Å; V89-L109 HydrophobicContact CG2-CB 4.24Å; V89-L109 HydrophobicContact CG2-CD1 4.16Å; L109-E111 VanDerWaalsContact C-N 3.27Å; L109-E111 PolarHBondContact O-N 3.26Å; L109-F112 HydrophobicContact CD1-CD1 4.23Å; L109-F112 PolarHBondContact O-N 3.26Å; L109-I113 HydrophobicContact CD1-CD1 4.21Å; L109-I113 HydrophobicContact CD1-CG1 4.26Å; L109-I113 HydrophobicContact CD2-CD1 4.07Å; L109-I113 HydrophobicContact CG-CD1 3.82Å; L109-I113 HydrophobicContact CG-CG1 4.22Å; L109-I113 WeakPolarHBondContact O-CG1 3.35Å; L109-I113 PolarHBondContact O-N 3.08Å; L109-L133 HydrophobicContact CD1-CD1 3.59Å; L109-M176 HydrophobicContact CD1-SD 4.37Å
110K98.6Very high96.6Very high72 Ų7249 Ų4931%0.31325%0.247SC..Hα-helixtrans-56.6-38.7174.451.4162.6173.1-153.40114.5L81 D85 E86 P108 I113 H114L81-K110 HydrophobicContact CD2-CB 3.77Å; D85-K110 PolarHBondContact O-N 3.33Å; D85-K110 WeakPolarHBondContact OD1-CB 3.44Å; D85-K110 WeakPolarHBondContact OD1-CD 3.45Å; D85-K110 WeakPolarHBondContact OD1-CG 3.23Å; E86-K110 IonicContact OE1-NZ 2.76Å; E86-K110 PolarHBondContact OE1-NZ 2.82Å; E86-K110 WeakPolarHBondContact OE2-CE 3.28Å; E86-K110 IonicContact OE2-NZ 3.89Å; E86-K110 PolarHBondContact OE2-NZ 3.44Å; P108-K110 HydrophobicContact CB-CG 3.92Å; P108-K110 PolarHBondContact O-N 3.03Å; K110-I113 PolarHBondContact O-N 2.72Å; K110-H114 VanDerWaalsContact O-CB 3.29Å; K110-H114 WeakPolarHBondContact O-CB 3.48Å; K110-H114 PolarHBondContact O-N 3.04Å
111E98.6Very high97.2Very high105 Ų10553.5 Ų53.549%0.49127%0.266SS..Hα-helixtrans-70.2-41.4-179.2-66-175.3-162.600109.8M107 P108 L109 H114 Y115M107-E111 HydrophobicContact SD-CB 4.48Å; P108-E111 HydrophobicContact CB-CG 4.3Å; P108-E111 HydrophobicContact CG-CG 4.35Å; P108-E111 WeakPolarHBondContact O-CB 3.3Å; P108-E111 PolarHBondContact O-N 2.79Å; L109-E111 VanDerWaalsContact C-N 3.27Å; L109-E111 PolarHBondContact O-N 3.26Å; E111-H114 PolarHBondContact O-N 2.91Å; E111-Y115 WeakPolarHBondContact O-CB 3.32Å; E111-Y115 PolarHBondContact O-N 2.93Å
112F98.7Very high97.6Very high0 Ų056.4 Ų56.40%028%0.276CS..Hα-helixtrans-62.1-46.4173.9178-109.2000112.2V89 V91 M107 P108 L109 H114 Y115 W116 L131 L133 M176V89-F112 HydrophobicContact CG2-CB 4.49Å; V91-F112 HydrophobicContact CB-CD2 4.45Å; V91-F112 HydrophobicContact CG1-CD2 3.75Å; V91-F112 HydrophobicContact CG1-CE2 3.91Å; V91-F112 HydrophobicContact CG2-CB 4.26Å; V91-F112 HydrophobicContact CG2-CD2 3.75Å; V91-F112 HydrophobicContact CG2-CE2 4.36Å; V91-F112 HydrophobicContact CG2-CG 4.05Å; M107-F112 HydrophobicContact CG-CB 4.33Å; M107-F112 HydrophobicContact SD-CB 3.93Å; P108-F112 PolarHBondContact O-N 3.31Å; L109-F112 HydrophobicContact CD1-CD1 4.23Å; L109-F112 PolarHBondContact O-N 3.26Å; F112-H114 VanDerWaalsContact C-N 3.34Å; F112-H114 PolarHBondContact O-N 3.48Å; F112-Y115 HydrophobicContact CD2-CD1 4.24Å; F112-Y115 HydrophobicContact CE2-CD1 4.26Å; F112-Y115 HydrophobicContact CE2-CE1 4.45Å; F112-Y115 WeakPolarHBondContact O-CB 3.19Å; F112-Y115 PolarHBondContact O-N 2.74Å; F112-W116 HydrophobicContact CD1-CE3 4.32Å; F112-W116 HydrophobicContact CE1-CD2 4.48Å; F112-W116 AromaticContact CE1-CE3 3.51Å; F112-W116 HydrophobicContact CE1-CE3 3.51Å; F112-W116 AromaticContact CE1-CZ3 3.89Å; F112-W116 HydrophobicContact CE1-CZ3 3.89Å; F112-W116 AromaticContact CZ-CE3 3.98Å; F112-W116 HydrophobicContact CZ-CE3 3.98Å; F112-W116 HydrophobicContact CZ-CZ3 4.46Å; F112-W116 WeakPolarHBondContact O-CB 3.46Å; F112-W116 PolarHBondContact O-N 3.34Å; F112-L131 HydrophobicContact CE2-CB 4.09Å; F112-L133 HydrophobicContact CD1-CB 4.04Å; F112-L133 HydrophobicContact CD1-CD1 3.97Å; F112-L133 HydrophobicContact CE1-CB 3.59Å; F112-L133 HydrophobicContact CE1-CD1 4.15Å; F112-L133 HydrophobicContact CE2-CB 4.28Å; F112-L133 HydrophobicContact CZ-CB 3.72Å; F112-M176 HydrophobicContact CE1-CG 4.08Å; F112-M176 WeakPolarHBondContact CZ-O 3.42Å
113I98.6Very high97.8Very high1 Ų159 Ų591%0.00530%0.304CS..Hα-helixtrans-65.7-37.4178.1-73177.7000111.4F77 L80 L81 L109 K110 W116 K117F77-I113 HydrophobicContact CB-CG2 3.82Å; F77-I113 HydrophobicContact CD1-CD1 4.4Å; F77-I113 HydrophobicContact CD1-CG1 4.23Å; F77-I113 HydrophobicContact CD1-CG2 3.85Å; F77-I113 HydrophobicContact CG-CG2 3.88Å; L80-I113 HydrophobicContact CB-CD1 3.86Å; L81-I113 HydrophobicContact CD1-CG2 3.97Å; L81-I113 HydrophobicContact CD2-CB 4.14Å; L81-I113 HydrophobicContact CD2-CD1 3.78Å; L81-I113 HydrophobicContact CD2-CG1 4.49Å; L81-I113 HydrophobicContact CD2-CG2 4.21Å; L81-I113 HydrophobicContact CG-CD1 3.82Å; L81-I113 HydrophobicContact CG-CG2 4.14Å; L109-I113 HydrophobicContact CD1-CD1 4.21Å; L109-I113 HydrophobicContact CD1-CG1 4.26Å; L109-I113 HydrophobicContact CD2-CD1 4.07Å; L109-I113 HydrophobicContact CG-CD1 3.82Å; L109-I113 HydrophobicContact CG-CG1 4.22Å; L109-I113 WeakPolarHBondContact O-CG1 3.35Å; L109-I113 PolarHBondContact O-N 3.08Å; K110-I113 PolarHBondContact O-N 2.72Å; I113-W116 PolarHBondContact O-N 3.28Å; I113-K117 HydrophobicContact CG2-CD 4.32Å; I113-K117 WeakPolarHBondContact O-CG 2.83Å; I113-K117 PolarHBondContact O-N 3.44Å
114H98.5Very high97.9Very high109 Ų10960.7 Ų60.751%0.50531%0.31SS..Hα-helixtrans-61.6-49.4174.4-176.568000111K110 E111 F112 W116 K117 E118K110-H114 VanDerWaalsContact O-CB 3.29Å; K110-H114 WeakPolarHBondContact O-CB 3.48Å; K110-H114 PolarHBondContact O-N 3.04Å; E111-H114 PolarHBondContact O-N 2.91Å; F112-H114 VanDerWaalsContact C-N 3.34Å; F112-H114 PolarHBondContact O-N 3.48Å; H114-W116 VanDerWaalsContact C-N 3.3Å; H114-W116 PolarHBondContact O-N 2.76Å; H114-K117 PolarHBondContact O-N 3.38Å; H114-E118 IonicContact CE1-OE1 2.96Å; H114-E118 IonicContact NE2-OE1 3.34Å; H114-E118 PolarHBondContact NE2-OE1 2.83Å; H114-E118 PolarHBondContact O-N 2.82Å; H114-E118 VanDerWaalsContact O-N 3.08Å
115Y98.6Very high97.9Very high4 Ų459 Ų592%0.01631%0.312CS..Hα-helixtrans-54.2-46.1172.2156.3-91.5000112E111 F112 K117 E118 Y119 K128 G129 C130 L131E111-Y115 WeakPolarHBondContact O-CB 3.32Å; E111-Y115 PolarHBondContact O-N 2.93Å; F112-Y115 HydrophobicContact CD2-CD1 4.24Å; F112-Y115 HydrophobicContact CE2-CD1 4.26Å; F112-Y115 HydrophobicContact CE2-CE1 4.45Å; F112-Y115 WeakPolarHBondContact O-CB 3.19Å; F112-Y115 PolarHBondContact O-N 2.74Å; Y115-K117 PolarHBondContact O-N 3.33Å; Y115-E118 PolarHBondContact O-N 3.13Å; Y115-Y119 HydrophobicContact CE2-CD2 4.25Å; Y115-Y119 AromaticContact CZ-CD2 3.86Å; Y115-Y119 WeakPolarHBondContact O-CB 3.24Å; Y115-Y119 PolarHBondContact O-N 2.95Å; Y115-Y119 VanDerWaalsContact OH-CD2 3.24Å; Y115-Y119 WeakPolarHBondContact OH-CD2 3.42Å; Y115-K128 HydrophobicContact CD2-CB 4.48Å; Y115-K128 HydrophobicContact CD2-CD 4.14Å; Y115-K128 HydrophobicContact CE2-CB 4.17Å; Y115-G129 PolarHBondContact OH-O 3.1Å; Y115-C130 VanDerWaalsContact OH-CA 3.3Å; Y115-C130 WeakPolarHBondContact OH-CA 3.36Å; Y115-L131 HydrophobicContact CD1-CB 4.03Å; Y115-L131 HydrophobicContact CD1-CD1 3.96Å; Y115-L131 HydrophobicContact CD1-CG 4.28Å; Y115-L131 HydrophobicContact CD2-CD1 3.94Å; Y115-L131 HydrophobicContact CD2-CG 4.44Å; Y115-L131 HydrophobicContact CE1-CB 3.45Å; Y115-L131 VanDerWaalsContact CE1-CB 3.45Å; Y115-L131 HydrophobicContact CE1-CD1 4.01Å; Y115-L131 HydrophobicContact CE1-CG 3.82Å; Y115-L131 HydrophobicContact CE2-CB 4.48Å; Y115-L131 HydrophobicContact CE2-CD1 3.91Å; Y115-L131 HydrophobicContact CE2-CG 3.91Å; Y115-L131 HydrophobicContact CG-CD1 3.95Å; Y115-L131 PolarHBondContact OH-N 3.28Å
116W98.6Very high98Very high0 Ų055.2 Ų55.20%030%0.296CS..Hα-helixtrans-63.3-42.3-177.3-169.3-8.9000111.1P75 F77 F112 I113 H114 E118 Y119 I120 M176 G177 P178 D273 T274 I275P75-W116 HydrophobicContact CB-CH2 4.34Å; P75-W116 HydrophobicContact CG-CH2 3.93Å; P75-W116 HydrophobicContact CG-CZ2 3.85Å; F77-W116 AromaticContact CE1-CD2 3.65Å; F77-W116 HydrophobicContact CE1-CD2 3.65Å; F77-W116 AromaticContact CE1-CE3 3.55Å; F77-W116 HydrophobicContact CE1-CE3 3.55Å; F77-W116 HydrophobicContact CE1-CG 4.17Å; F77-W116 HydrophobicContact CE1-CH2 4.28Å; F77-W116 HydrophobicContact CE1-CZ2 4.38Å; F77-W116 AromaticContact CE1-CZ3 3.88Å; F77-W116 HydrophobicContact CE1-CZ3 3.88Å; F77-W116 HydrophobicContact CZ-CB 4.49Å; F77-W116 AromaticContact CZ-CD2 3.69Å; F77-W116 HydrophobicContact CZ-CD2 3.69Å; F77-W116 AromaticContact CZ-CE2 3.86Å; F77-W116 HydrophobicContact CZ-CE3 4.11Å; F77-W116 AromaticContact CZ-CG 3.87Å; F77-W116 HydrophobicContact CZ-CG 3.87Å; F77-W116 HydrophobicContact CZ-CZ2 4.4Å; F112-W116 HydrophobicContact CD1-CE3 4.32Å; F112-W116 HydrophobicContact CE1-CD2 4.48Å; F112-W116 AromaticContact CE1-CE3 3.51Å; F112-W116 HydrophobicContact CE1-CE3 3.51Å; F112-W116 AromaticContact CE1-CZ3 3.89Å; F112-W116 HydrophobicContact CE1-CZ3 3.89Å; F112-W116 AromaticContact CZ-CE3 3.98Å; F112-W116 HydrophobicContact CZ-CE3 3.98Å; F112-W116 HydrophobicContact CZ-CZ3 4.46Å; F112-W116 WeakPolarHBondContact O-CB 3.46Å; F112-W116 PolarHBondContact O-N 3.34Å; I113-W116 PolarHBondContact O-N 3.28Å; H114-W116 VanDerWaalsContact C-N 3.3Å; H114-W116 PolarHBondContact O-N 2.76Å; W116-E118 PolarHBondContact O-N 2.85Å; W116-Y119 WeakPolarHBondContact O-CB 3.13Å; W116-Y119 PolarHBondContact O-N 3.36Å; W116-I120 WeakPolarHBondContact O-CG1 3.35Å; W116-I120 PolarHBondContact O-N 3.05Å; W116-M176 HydrophobicContact CH2-CB 3.91Å; W116-M176 HydrophobicContact CZ3-CB 3.79Å; W116-M176 HydrophobicContact CZ3-CG 3.89Å; W116-M176 HydrophobicContact CZ3-SD 4.13Å; W116-G177 VanDerWaalsContact CE2-C 3.48Å; W116-G177 VanDerWaalsContact CH2-N 3.29Å; W116-G177 WeakPolarHBondContact CZ2-O 3.15Å; W116-P178 HydrophobicContact CG-CB 4.44Å; W116-D273 HydrophobicContact CZ2-CB 3.84Å; W116-D273 PolarHBondContact NE1-OD1 3.48Å; W116-T274 WeakPolarHBondContact CH2-O 3.1Å; W116-I275 HydrophobicContact CH2-CG1 4.43Å
117K98.5Very high97.8Very high76 Ų7656.9 Ų56.933%0.3331%0.309SS..Hα-helixtrans-60.1-46174.2-72.8173.5179176.50112.2F77 I113 H114 Y115 I120 Q121F77-K117 HydrophobicContact CD2-CD 4.32Å; F77-K117 HydrophobicContact CD2-CG 3.82Å; F77-K117 HydrophobicContact CE2-CG 3.92Å; I113-K117 HydrophobicContact CG2-CD 4.32Å; I113-K117 WeakPolarHBondContact O-CG 2.83Å; I113-K117 PolarHBondContact O-N 3.44Å; H114-K117 PolarHBondContact O-N 3.38Å; Y115-K117 PolarHBondContact O-N 3.33Å; K117-I120 PolarHBondContact O-N 3.3Å; K117-Q121 VanDerWaalsContact O-CG 3.31Å; K117-Q121 WeakPolarHBondContact O-CG 3.44Å; K117-Q121 PolarHBondContact O-N 3.32Å
118E98.4Very high97.6Very high75 Ų7562 Ų6235%0.3533%0.331SS..Hα-helixtrans-63.1-41.7176.4-68.8-175.2146.400111.9H114 Y115 W116 I120 Q121 N122H114-E118 IonicContact CE1-OE1 2.96Å; H114-E118 IonicContact NE2-OE1 3.34Å; H114-E118 PolarHBondContact NE2-OE1 2.83Å; H114-E118 PolarHBondContact O-N 2.82Å; H114-E118 VanDerWaalsContact O-N 3.08Å; Y115-E118 PolarHBondContact O-N 3.13Å; W116-E118 PolarHBondContact O-N 2.85Å; E118-I120 VanDerWaalsContact C-N 3.31Å; E118-I120 PolarHBondContact O-N 2.76Å; E118-Q121 PolarHBondContact O-N 3.46Å; E118-N122 WeakPolarHBondContact O-CB 3.43Å; E118-N122 PolarHBondContact O-N 3.42Å; E118-N122 PolarHBondContact O-ND2 3.28Å
119Y98.4Very high97.4Very high18 Ų1861 Ų617%0.07133%0.327CS..Hα-helixtrans-57.4-45.3177.6-173.9-94000111.2Y115 W116 N122 H124 S125 C130 P178Y115-Y119 HydrophobicContact CE2-CD2 4.25Å; Y115-Y119 AromaticContact CZ-CD2 3.86Å; Y115-Y119 WeakPolarHBondContact O-CB 3.24Å; Y115-Y119 PolarHBondContact O-N 2.95Å; Y115-Y119 VanDerWaalsContact OH-CD2 3.24Å; Y115-Y119 WeakPolarHBondContact OH-CD2 3.42Å; W116-Y119 WeakPolarHBondContact O-CB 3.13Å; W116-Y119 PolarHBondContact O-N 3.36Å; Y119-N122 PolarHBondContact O-N 2.66Å; Y119-H124 HydrophobicContact CD1-CB 4.06Å; Y119-H124 AromaticContact CD1-ND1 3.89Å; Y119-H124 VanDerWaalsContact CE1-C 3.45Å; Y119-H124 HydrophobicContact CE1-CB 3.48Å; Y119-H124 VanDerWaalsContact CE1-CB 3.48Å; Y119-H124 AromaticContact CE1-ND1 3.77Å; Y119-H124 WeakPolarHBondContact O-CA 3.4Å; Y119-H124 PolarHBondContact O-N 2.6Å; Y119-H124 PolarHBondContact OH-O 3.17Å; Y119-H124 VanDerWaalsContact OH-O 3.09Å; Y119-S125 PolarHBondContact O-N 3.23Å; Y119-C130 HydrophobicContact CE2-CB 4.38Å; Y119-P178 HydrophobicContact CD1-CB 3.46Å; Y119-P178 VanDerWaalsContact CD1-CB 3.46Å; Y119-P178 HydrophobicContact CD1-CG 3.86Å; Y119-P178 HydrophobicContact CE1-CB 3.6Å; Y119-P178 HydrophobicContact CE1-CG 3.9Å; Y119-P178 HydrophobicContact CG-CB 4.39Å; Y119-P178 HydrophobicContact CG-CG 4.42Å
120I97.9Very high97.4Very high56 Ų5661.2 Ų61.229%0.28733%0.328SS..Hα-helixtrans-63.2-48.3175.5-66.5165.5000110.8F77 W116 K117 E118 N122 G123F77-I120 HydrophobicContact CE2-CD1 4.24Å; F77-I120 HydrophobicContact CZ-CD1 4.27Å; W116-I120 WeakPolarHBondContact O-CG1 3.35Å; W116-I120 PolarHBondContact O-N 3.05Å; K117-I120 PolarHBondContact O-N 3.3Å; E118-I120 VanDerWaalsContact C-N 3.31Å; E118-I120 PolarHBondContact O-N 2.76Å; I120-N122 PolarHBondContact O-N 3.39Å; I120-G123 PolarHBondContact O-N 3.31Å
121Q97.9Very high97.4Very high157 Ų15758 Ų5873%0.73431%0.314SS*.Hα-helixtrans-60.1-31.2-179.2-73172-0.800112.8K117 E118 G123K117-Q121 VanDerWaalsContact O-CG 3.31Å; K117-Q121 WeakPolarHBondContact O-CG 3.44Å; K117-Q121 PolarHBondContact O-N 3.32Å; E118-Q121 PolarHBondContact O-N 3.46Å; Q121-G123 VanDerWaalsContact C-N 3.27Å; Q121-G123 PolarHBondContact O-N 3.19Å
122N97.3Very high97.4Very high105 Ų10553.1 Ų53.156%0.56129%0.291SS*.THydrogen-bonded Turntrans-88.920.3178.1-66.7-37.7000113.6E118 Y119 I120 S125E118-N122 WeakPolarHBondContact O-CB 3.43Å; E118-N122 PolarHBondContact O-N 3.42Å; E118-N122 PolarHBondContact O-ND2 3.28Å; Y119-N122 PolarHBondContact O-N 2.66Å; I120-N122 PolarHBondContact O-N 3.39Å; N122-S125 WeakPolarHBondContact CB-O 3.45Å
123G96.7Very high97.4Very high61 Ų6153.1 Ų53.163%0.62929%0.291SS*.THydrogen-bonded Turntrans7334.7176.900000113.6I120 Q121I120-G123 PolarHBondContact O-N 3.31Å; Q121-G123 VanDerWaalsContact C-N 3.27Å; Q121-G123 PolarHBondContact O-N 3.19Å
124H96.5Very high97.2Very high63 Ų6354 Ų5429%0.29230%0.295SS..SBendtrans62.850.8-174.9-59.7-84.8000113.3Y119 D273Y119-H124 HydrophobicContact CD1-CB 4.06Å; Y119-H124 AromaticContact CD1-ND1 3.89Å; Y119-H124 VanDerWaalsContact CE1-C 3.45Å; Y119-H124 HydrophobicContact CE1-CB 3.48Å; Y119-H124 VanDerWaalsContact CE1-CB 3.48Å; Y119-H124 AromaticContact CE1-ND1 3.77Å; Y119-H124 WeakPolarHBondContact O-CA 3.4Å; Y119-H124 PolarHBondContact O-N 2.6Å; Y119-H124 PolarHBondContact OH-O 3.17Å; Y119-H124 VanDerWaalsContact OH-O 3.09Å; H124-D273 IonicContact CE1-OD1 3.78Å; H124-D273 IonicContact CE1-OD2 2.61Å
125S95.5Very high97.1Very high73 Ų7350.5 Ų50.551%0.5128%0.28SS..  trans-145.6147.2176.8-175.50000111.3Y119 N122Y119-S125 PolarHBondContact O-N 3.23Å; N122-S125 WeakPolarHBondContact CB-O 3.45Å
126S96.8Very high97.1Very high22 Ų2250.4 Ų50.415%0.15428%0.28CS..  trans-156145174.1176.80000110.7K128 G129S126-K128 PolarHBondContact O-N 3.35Å; S126-K128 PolarHBondContact OG-N 3Å; S126-G129 PolarHBondContact O-N 3.11Å
127P94.4Very high97Very high139 Ų13952.1 Ų52.190%0.90329%0.288SS*.THydrogen-bonded Turntrans-62.5-19.1171.827.3-36.1000113.1G129P127-G129 PolarHBondContact O-N 3.21Å
128K93.4Very high96.8Very high132 Ų13248.7 Ų48.757%0.57427%0.273SS*.THydrogen-bonded Turntrans-76.3-5174.1-62.4-177.6-179.8176.60113N93 Y115 S126 L131N93-K128 PolarHBondContact ND2-O 2.98Å; Y115-K128 HydrophobicContact CD2-CB 4.48Å; Y115-K128 HydrophobicContact CD2-CD 4.14Å; Y115-K128 HydrophobicContact CE2-CB 4.17Å; S126-K128 PolarHBondContact O-N 3.35Å; S126-K128 PolarHBondContact OG-N 3Å; K128-L131 HydrophobicContact CB-CD1 4.48Å
129G95.6Very high96.5Very high13 Ų1346.1 Ų46.113%0.13426%0.263CS..  trans81.2-169.7-168.300000112.1N95 Y115 S126 P127N95-G129 VanDerWaalsContact OD1-CA 3.29Å; N95-G129 WeakPolarHBondContact OD1-CA 3.25Å; Y115-G129 PolarHBondContact OH-O 3.1Å; S126-G129 PolarHBondContact O-N 3.11Å; P127-G129 PolarHBondContact O-N 3.21Å
130C97.9Very high96.3Very high5 Ų550.2 Ų50.23%0.03428%0.279CS..  trans-90.2107.5173.6-173.50000108.7C94 N95 Y115 Y119 G180 S181C94-C130 HydrophobicContact CB-CB 4.15Å; C94-C130 VanDerWaalsContact CB-O 3.28Å; C94-C130 WeakPolarHBondContact CB-O 3.32Å; C94-C130 PolarHBondContact N-O 3.24Å; N95-C130 WeakPolarHBondContact OD1-CB 3.49Å; N95-C130 PolarHBondContact OD1-N 3.11Å; Y115-C130 VanDerWaalsContact OH-CA 3.3Å; Y115-C130 WeakPolarHBondContact OH-CA 3.36Å; Y119-C130 HydrophobicContact CE2-CB 4.38Å; C130-G180 VanDerWaalsContact SG-C 3.58Å; C130-S181 VanDerWaalsContact SG-CA 3.51Å; C130-S181 PolarHBondContact SG-N 2.94Å
131L98.5Very high96Very high4 Ų450.6 Ų50.62%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-94.3138.3-179.6-55.1-178.2000110.3V91 A92 N93 M107 F112 Y115 K128 P178V91-L131 HydrophobicContact CG1-CB 3.63Å; V91-L131 HydrophobicContact CG1-CD1 4.25Å; V91-L131 HydrophobicContact CG1-CG 4.36Å; A92-L131 CarbonylContact O-C 3.54Å; A92-L131 VanDerWaalsContact O-CA 3.27Å; A92-L131 WeakPolarHBondContact O-CA 3.32Å; N93-L131 HydrophobicContact CB-CD2 3.91Å; M107-L131 HydrophobicContact CE-CD1 4.44Å; F112-L131 HydrophobicContact CE2-CB 4.09Å; Y115-L131 HydrophobicContact CD1-CB 4.03Å; Y115-L131 HydrophobicContact CD1-CD1 3.96Å; Y115-L131 HydrophobicContact CD1-CG 4.28Å; Y115-L131 HydrophobicContact CD2-CD1 3.94Å; Y115-L131 HydrophobicContact CD2-CG 4.44Å; Y115-L131 HydrophobicContact CE1-CB 3.45Å; Y115-L131 VanDerWaalsContact CE1-CB 3.45Å; Y115-L131 HydrophobicContact CE1-CD1 4.01Å; Y115-L131 HydrophobicContact CE1-CG 3.82Å; Y115-L131 HydrophobicContact CE2-CB 4.48Å; Y115-L131 HydrophobicContact CE2-CD1 3.91Å; Y115-L131 HydrophobicContact CE2-CG 3.91Å; Y115-L131 HydrophobicContact CG-CD1 3.95Å; Y115-L131 PolarHBondContact OH-N 3.28Å; K128-L131 HydrophobicContact CB-CD1 4.48Å; L131-P178 WeakPolarHBondContact O-CD 3.3Å
132Y98.6Very high95.8Very high3 Ų345.8 Ų45.81%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-129.9115.8-176.4-175.3-156.8000110.6V91 A92 K134 Y175 M176 N270V91-Y132 CarbonylContact C-O 3.58Å; A92-Y132 PolarHBondContact N-O 3.25Å; A92-Y132 PolarHBondContact O-N 3.22Å; Y132-K134 HydrophobicContact CD1-CB 4.23Å; Y132-K134 HydrophobicContact CD1-CD 4.18Å; Y132-K134 HydrophobicContact CE1-CB 4.22Å; Y132-K134 HydrophobicContact CE1-CD 4.49Å; Y132-K134 PolarHBondContact O-N 3.1Å; Y132-Y175 VanDerWaalsContact OH-CB 3.3Å; Y132-Y175 WeakPolarHBondContact OH-CB 3.45Å; Y132-M176 WeakPolarHBondContact CD2-O 3.36Å; Y132-N270 WeakPolarHBondContact CE2-ND2 3.41Å
133L98.6Very high95.5Very high0 Ų044.8 Ų44.80%026%0.257CS..EExtended strand (participates in β ladder)trans-71.3115.2171.1-176.1170.3000108V89 P90 V91 L109 F112 W136 V174 Y175 M176V89-L133 HydrophobicContact CB-CD1 3.65Å; V89-L133 HydrophobicContact CB-CG 4.02Å; V89-L133 HydrophobicContact CG1-CD1 3.9Å; V89-L133 HydrophobicContact CG2-CD1 3.72Å; V89-L133 HydrophobicContact CG2-CG 4.31Å; P90-L133 VanDerWaalsContact O-CA 3.32Å; P90-L133 WeakPolarHBondContact O-CA 3.4Å; V91-L133 HydrophobicContact CG2-CB 4.36Å; L109-L133 HydrophobicContact CD1-CD1 3.59Å; F112-L133 HydrophobicContact CD1-CB 4.04Å; F112-L133 HydrophobicContact CD1-CD1 3.97Å; F112-L133 HydrophobicContact CE1-CB 3.59Å; F112-L133 HydrophobicContact CE1-CD1 4.15Å; F112-L133 HydrophobicContact CE2-CB 4.28Å; F112-L133 HydrophobicContact CZ-CB 3.72Å; L133-W136 HydrophobicContact CD1-CE3 4.41Å; L133-W136 HydrophobicContact CD2-CB 3.53Å; L133-W136 HydrophobicContact CD2-CE3 4.22Å; L133-W136 HydrophobicContact CD2-CG 4.31Å; L133-V174 WeakPolarHBondContact CD2-O 3.46Å; L133-Y175 CarbonylContact O-C 3.5Å; L133-Y175 WeakPolarHBondContact O-CA 3.16Å; L133-M176 WeakPolarHBondContact CA-O 3.26Å; L133-M176 HydrophobicContact CB-CG 3.89Å; L133-M176 VanDerWaalsContact CB-O 3.28Å; L133-M176 WeakPolarHBondContact CB-O 3.25Å; L133-M176 HydrophobicContact CD1-CG 3.79Å; L133-M176 HydrophobicContact CD1-SD 4.1Å; L133-M176 HydrophobicContact CD2-CG 4.14Å; L133-M176 HydrophobicContact CG-CG 4.18Å; L133-M176 PolarHBondContact N-O 3.02Å; L133-M176 PolarHBondContact O-N 3.19Å
134K95.5Very high95.2Very high18 Ų1848.7 Ų48.78%0.07826%0.264CS..EExtended strand (participates in β ladder)trans-143.2147.8-179.972.4177.8-153.2176.50111.2P90 A92 Y132 Y175P90-K134 WeakPolarHBondContact CB-O 3.16Å; P90-K134 WeakPolarHBondContact CG-O 3.49Å; P90-K134 PolarHBondContact O-N 3.38Å; P90-K134 VanDerWaalsContact O-N 3.14Å; A92-K134 HydrophobicContact CB-CD 3.79Å; A92-K134 HydrophobicContact CB-CG 3.92Å; Y132-K134 HydrophobicContact CD1-CB 4.23Å; Y132-K134 HydrophobicContact CD1-CD 4.18Å; Y132-K134 HydrophobicContact CE1-CB 4.22Å; Y132-K134 HydrophobicContact CE1-CD 4.49Å; Y132-K134 PolarHBondContact O-N 3.1Å; K134-Y175 HydrophobicContact CB-CD1 3.85Å; K134-Y175 HydrophobicContact CB-CE1 4.19Å; K134-Y175 HydrophobicContact CB-CG 4.36Å
135D95.8Very high94.9Very high36 Ų3648 Ų4819%0.19326%0.261CS..EExtended strand (participates in β ladder)trans68.535.2-178.6-46.5-50000113P90 K104 H137 F173 Y175P90-D135 WeakPolarHBondContact CG-O 3.5Å; K104-D135 WeakPolarHBondContact CE-OD2 3.49Å; K104-D135 IonicContact NZ-OD2 3.8Å; K104-D135 PolarHBondContact NZ-OD2 2.61Å; D135-H137 PolarHBondContact O-CD2 3.36Å; D135-H137 VanDerWaalsContact O-CD2 3.26Å; D135-H137 PolarHBondContact O-N 3.12Å; D135-F173 HydrophobicContact CB-CD1 4.14Å; D135-F173 HydrophobicContact CB-CE1 4.34Å; D135-Y175 HydrophobicContact CB-CE1 4.49Å; D135-Y175 VanDerWaalsContact OD1-CE1 3.25Å; D135-Y175 WeakPolarHBondContact OD1-CE1 3.28Å; D135-Y175 PolarHBondContact OD1-OH 3.36Å; D135-Y175 VanDerWaalsContact OD1-OH 3.04Å
136W97.6Very high94.5Very high3 Ų350.2 Ų50.21%0.01127%0.267CS..EExtended strand (participates in β ladder)trans-84.5113.7175.4-178.432.2000111.4F84 V89 P90 L133 M138 F142 F173 V174 M176F84-W136 HydrophobicContact CB-CH2 3.94Å; F84-W136 HydrophobicContact CB-CZ2 4.38Å; F84-W136 AromaticContact CD1-CH2 3.92Å; F84-W136 HydrophobicContact CD1-CH2 3.92Å; F84-W136 HydrophobicContact CD1-CZ2 4.18Å; F84-W136 AromaticContact CD2-CH2 3.9Å; F84-W136 HydrophobicContact CD2-CH2 3.9Å; F84-W136 HydrophobicContact CE1-CH2 4.37Å; F84-W136 HydrophobicContact CE2-CH2 4.36Å; F84-W136 AromaticContact CG-CH2 3.66Å; F84-W136 HydrophobicContact CG-CH2 3.66Å; F84-W136 HydrophobicContact CG-CZ2 4.26Å; V89-W136 HydrophobicContact CG1-CD2 3.79Å; V89-W136 HydrophobicContact CG1-CE3 4.32Å; V89-W136 HydrophobicContact CG1-CG 4.04Å; V89-W136 HydrophobicContact CG1-CZ2 4.19Å; P90-W136 HydrophobicContact CG-CB 4.18Å; L133-W136 HydrophobicContact CD1-CE3 4.41Å; L133-W136 HydrophobicContact CD2-CB 3.53Å; L133-W136 HydrophobicContact CD2-CE3 4.22Å; L133-W136 HydrophobicContact CD2-CG 4.31Å; W136-M138 HydrophobicContact CD2-CB 3.88Å; W136-M138 HydrophobicContact CD2-CG 4.41Å; W136-M138 HydrophobicContact CE3-CB 4.05Å; W136-M138 HydrophobicContact CE3-CG 4.33Å; W136-M138 HydrophobicContact CG-CB 4.44Å; W136-M138 HydrophobicContact CH2-CB 4.15Å; W136-M138 HydrophobicContact CH2-CG 3.6Å; W136-M138 HydrophobicContact CZ2-CB 3.98Å; W136-M138 HydrophobicContact CZ2-CG 3.69Å; W136-M138 HydrophobicContact CZ3-CB 4.18Å; W136-M138 HydrophobicContact CZ3-CG 3.94Å; W136-M138 PolarHBondContact O-N 3.19Å; W136-F142 HydrophobicContact CZ2-CD2 4.33Å; W136-F142 AromaticContact CZ2-CE2 3.97Å; W136-F142 HydrophobicContact CZ2-CE2 3.97Å; W136-F173 WeakPolarHBondContact O-CA 3.19Å; W136-V174 HydrophobicContact CE3-CB 3.82Å; W136-V174 HydrophobicContact CE3-CG1 3.93Å; W136-V174 HydrophobicContact CE3-CG2 4.46Å; W136-V174 HydrophobicContact CZ3-CB 4.46Å; W136-V174 HydrophobicContact CZ3-CG1 4.28Å; W136-V174 PolarHBondContact N-O 2.97Å; W136-V174 PolarHBondContact O-N 3.07Å; W136-M176 HydrophobicContact CE3-CE 4.24Å; W136-M176 HydrophobicContact CZ3-CE 3.97Å
137H96.6Very high94.4Very high35 Ų3549.3 Ų49.316%0.16226%0.26CS..  trans-75.953.2179.2-62.8-100.8000112.8D135 S139 R140 D141 D169 D170 F173D135-H137 PolarHBondContact O-CD2 3.36Å; D135-H137 VanDerWaalsContact O-CD2 3.26Å; D135-H137 PolarHBondContact O-N 3.12Å; H137-S139 VanDerWaalsContact C-N 3.29Å; H137-S139 PolarHBondContact O-N 2.92Å; H137-R140 HydrophobicContact CB-CB 4.19Å; H137-R140 PolarHBondContact O-N 3.36Å; H137-D141 VanDerWaalsContact O-CG 3.31Å; H137-D141 PolarHBondContact O-N 3.07Å; H137-D169 IonicContact CE1-OD1 3.63Å; H137-D169 PolarHBondContact CE1-OD1 3.5Å; H137-D169 IonicContact ND1-OD1 3.71Å; H137-D169 PolarHBondContact ND1-OD1 3.21Å; H137-D169 IonicContact NE2-OD1 2.54Å; H137-D170 WeakPolarHBondContact CB-OD1 3.45Å; H137-D170 PolarHBondContact CE1-O 2.79Å; H137-D170 IonicContact CE1-OD1 2.97Å; H137-D170 IonicContact CG-OD1 2.85Å; H137-D170 PolarHBondContact ND1-O 3.33Å; H137-D170 VanDerWaalsContact ND1-O 3.08Å; H137-D170 IonicContact ND1-OD1 3.35Å; H137-D170 PolarHBondContact ND1-OD1 2.93Å; H137-F173 AromaticContact CE1-CE1 3.4Å; H137-F173 WeakPolarHBondContact CE1-CE1 3.32Å; H137-F173 AromaticContact ND1-CE1 3.85Å; H137-F173 AromaticContact NE2-CE1 3.6Å
138M95.3Very high94.5Very high4 Ų444.1 Ų44.12%0.0222%0.223CC..Hα-helixtrans-60.6-38-174.6-172.6-77.1-4900112.1W68 F84 W136 R140 D141 F142 V147 V174W68-M138 HydrophobicContact CH2-CE 4.1Å; F84-M138 HydrophobicContact CE1-CG 4.21Å; F84-M138 HydrophobicContact CE1-SD 4.16Å; F84-M138 HydrophobicContact CZ-CG 4.25Å; F84-M138 HydrophobicContact CZ-SD 4.01Å; W136-M138 HydrophobicContact CD2-CB 3.88Å; W136-M138 HydrophobicContact CD2-CG 4.41Å; W136-M138 HydrophobicContact CE3-CB 4.05Å; W136-M138 HydrophobicContact CE3-CG 4.33Å; W136-M138 HydrophobicContact CG-CB 4.44Å; W136-M138 HydrophobicContact CH2-CB 4.15Å; W136-M138 HydrophobicContact CH2-CG 3.6Å; W136-M138 HydrophobicContact CZ2-CB 3.98Å; W136-M138 HydrophobicContact CZ2-CG 3.69Å; W136-M138 HydrophobicContact CZ3-CB 4.18Å; W136-M138 HydrophobicContact CZ3-CG 3.94Å; W136-M138 PolarHBondContact O-N 3.19Å; M138-R140 PolarHBondContact O-N 3.22Å; M138-D141 PolarHBondContact O-N 3.1Å; M138-F142 HydrophobicContact CG-CD2 4.09Å; M138-F142 WeakPolarHBondContact O-CA 3.14Å; M138-F142 WeakPolarHBondContact O-CB 3.31Å; M138-F142 PolarHBondContact O-N 3.25Å; M138-F142 HydrophobicContact SD-CB 4.02Å; M138-F142 HydrophobicContact SD-CD2 4.46Å; M138-V147 HydrophobicContact CE-CG1 4.21Å; M138-V147 HydrophobicContact CE-CG2 3.49Å; M138-V147 VanDerWaalsContact CE-CG2 3.49Å; M138-V174 HydrophobicContact CB-CB 4.41Å; M138-V174 HydrophobicContact CB-CG2 3.71Å; M138-V174 HydrophobicContact CE-CG2 4.11Å; M138-V174 HydrophobicContact CG-CG2 4.32Å
139S92.4Very high94.5Very high22 Ų2242.8 Ų42.815%0.15423%0.226CC..Hα-helixtrans-65.2-36.9179.8-63.90000112.6H137 P143 Y148H137-S139 VanDerWaalsContact C-N 3.29Å; H137-S139 PolarHBondContact O-N 2.92Å; S139-P143 VanDerWaalsContact O-CA 3.23Å; S139-P143 WeakPolarHBondContact O-CA 3.35Å; S139-Y148 PolarHBondContact OG-OH 3.47Å
140R92.8Very high94.4Very high104 Ų10444.1 Ų44.139%0.39223%0.232SC..Hα-helixtrans-68.9-45.4173.1-174.8-166.168.9-160.4-1.8112H137 M138 F142 D169 D170H137-R140 HydrophobicContact CB-CB 4.19Å; H137-R140 PolarHBondContact O-N 3.36Å; M138-R140 PolarHBondContact O-N 3.22Å; R140-F142 VanDerWaalsContact C-N 3.35Å; R140-D169 IonicContact CZ-OD1 3.31Å; R140-D169 IonicContact NH1-OD1 2.66Å; R140-D169 PolarHBondContact NH1-OD1 3.21Å; R140-D170 PolarHBondContact N-OD2 3.1Å
141D93Very high94.3Very high64 Ų6444.8 Ų44.834%0.34224%0.236SC..Hα-helixtrans-75.9-25.8-175.3-60.8-14.1000112.1H137 M138H137-D141 VanDerWaalsContact O-CG 3.31Å; H137-D141 PolarHBondContact O-N 3.07Å; M138-D141 PolarHBondContact O-N 3.1Å
142F93.8Very high94.1Very high55 Ų5547.2 Ų47.224%0.24125%0.251CS..  trans-137.158.6-175.1-58.1-81.5000113.2F84 S87 W136 M138 R140 D144 H145F84-F142 HydrophobicContact CD1-CD1 4.3Å; F84-F142 AromaticContact CD1-CD2 3.98Å; F84-F142 HydrophobicContact CD1-CD2 3.98Å; F84-F142 HydrophobicContact CD1-CE1 4.21Å; F84-F142 AromaticContact CD1-CE2 3.91Å; F84-F142 HydrophobicContact CD1-CE2 3.91Å; F84-F142 HydrophobicContact CD1-CG 4.2Å; F84-F142 HydrophobicContact CD1-CZ 4.03Å; F84-F142 HydrophobicContact CE1-CB 4.27Å; F84-F142 HydrophobicContact CE1-CD1 4.14Å; F84-F142 AromaticContact CE1-CD2 3.86Å; F84-F142 HydrophobicContact CE1-CD2 3.86Å; F84-F142 HydrophobicContact CE1-CE2 4.27Å; F84-F142 AromaticContact CE1-CG 3.81Å; F84-F142 HydrophobicContact CE1-CG 3.81Å; S87-F142 WeakPolarHBondContact OG-CZ 3.37Å; W136-F142 HydrophobicContact CZ2-CD2 4.33Å; W136-F142 AromaticContact CZ2-CE2 3.97Å; W136-F142 HydrophobicContact CZ2-CE2 3.97Å; M138-F142 HydrophobicContact CG-CD2 4.09Å; M138-F142 WeakPolarHBondContact O-CA 3.14Å; M138-F142 WeakPolarHBondContact O-CB 3.31Å; M138-F142 PolarHBondContact O-N 3.25Å; M138-F142 HydrophobicContact SD-CB 4.02Å; M138-F142 HydrophobicContact SD-CD2 4.46Å; R140-F142 VanDerWaalsContact C-N 3.35Å; F142-D144 VanDerWaalsContact C-N 3.26Å; F142-D144 PolarHBondContact O-N 3.28Å; F142-D144 VanDerWaalsContact O-N 3.13Å; F142-H145 HydrophobicContact CB-CB 4.37Å; F142-H145 AromaticContact CD1-CE1 3.89Å; F142-H145 WeakPolarHBondContact O-CB 3.45Å; F142-H145 PolarHBondContact O-N 3.02Å
143P89.7Confident94Very high84 Ų8447.7 Ų47.755%0.54525%0.253SS..G310 helixtrans-60.8-30.8-170.523.9-34.6000113.9S139 H145S139-P143 VanDerWaalsContact O-CA 3.23Å; S139-P143 WeakPolarHBondContact O-CA 3.35Å; P143-H145 VanDerWaalsContact C-N 3.27Å; P143-H145 PolarHBondContact O-N 3.21Å
144D91.3Very high93.9Very high144 Ų14447.7 Ų47.777%0.7725%0.253SS*.G310 helixtrans-76.1-10.6-178.7-63.8-44.4000114.1F142 N146F142-D144 VanDerWaalsContact C-N 3.26Å; F142-D144 PolarHBondContact O-N 3.28Å; F142-D144 VanDerWaalsContact O-N 3.13Å; D144-N146 VanDerWaalsContact C-N 3.3Å; D144-N146 PolarHBondContact O-N 2.87Å; D144-N146 PolarHBondContact O-ND2 3.13Å
145H89.6Confident93.8Very high49 Ų4947.9 Ų47.923%0.22726%0.256CS..G310 helixtrans-70-27.8-175.3-83.958.2000113.4K63 F84 F142 P143 V147K63-H145 PolarHBondContact NZ-O 3.44Å; F84-H145 AromaticContact CE1-CD2 3.6Å; F84-H145 AromaticContact CE1-NE2 3.69Å; F84-H145 AromaticContact CZ-CD2 3.48Å; F84-H145 VanDerWaalsContact CZ-CD2 3.48Å; F84-H145 WeakPolarHBondContact CZ-CD2 3.16Å; F84-H145 AromaticContact CZ-NE2 3.98Å; F142-H145 HydrophobicContact CB-CB 4.37Å; F142-H145 AromaticContact CD1-CE1 3.89Å; F142-H145 WeakPolarHBondContact O-CB 3.45Å; F142-H145 PolarHBondContact O-N 3.02Å; P143-H145 VanDerWaalsContact C-N 3.27Å; P143-H145 PolarHBondContact O-N 3.21Å; H145-V147 HydrophobicContact CB-CG1 3.81Å; H145-V147 PolarHBondContact O-N 3.45Å
146N88.1Confident93.8Very high119 Ų11946.2 Ų46.264%0.63625%0.248SC*.  trans44.955.2174-68.4-68.4000112.7D144 Y148D144-N146 VanDerWaalsContact C-N 3.3Å; D144-N146 PolarHBondContact O-N 2.87Å; D144-N146 PolarHBondContact O-ND2 3.13Å; N146-Y148 VanDerWaalsContact C-N 3.28Å; N146-Y148 PolarHBondContact O-N 3.02Å
147V94Very high93.8Very high3 Ų347 Ų472%0.01825%0.252CS..  trans-78.1-13.2-169.5-50.50000113.7K63 C64 W68 M138 H145 I277K63-V147 PolarHBondContact N-O 2.84Å; C64-V147 HydrophobicContact CB-CB 4.14Å; C64-V147 HydrophobicContact CB-CG2 4.33Å; C64-V147 PolarHBondContact N-O 3.23Å; C64-V147 PolarHBondContact SG-O 3.36Å; W68-V147 HydrophobicContact CH2-CB 4.28Å; W68-V147 HydrophobicContact CH2-CG1 4.36Å; W68-V147 HydrophobicContact CH2-CG2 3.68Å; W68-V147 HydrophobicContact CZ2-CB 4.03Å; W68-V147 HydrophobicContact CZ2-CG1 3.75Å; W68-V147 HydrophobicContact CZ2-CG2 3.92Å; W68-V147 HydrophobicContact CZ3-CG2 4.33Å; M138-V147 HydrophobicContact CE-CG1 4.21Å; M138-V147 HydrophobicContact CE-CG2 3.49Å; M138-V147 VanDerWaalsContact CE-CG2 3.49Å; H145-V147 HydrophobicContact CB-CG1 3.81Å; H145-V147 PolarHBondContact O-N 3.45Å; V147-I277 HydrophobicContact CG2-CD1 4.23Å
148Y95.9Very high93.8Very high29 Ų2945.3 Ų45.311%0.11424%0.244CC..  trans-154.7174.4176.567.2-72000110.1W62 S139 N146 W195 I277 H279W62-Y148 VanDerWaalsContact CD2-CB 3.47Å; W62-Y148 VanDerWaalsContact CE3-CB 3.48Å; W62-Y148 HydrophobicContact CE3-CG 4.43Å; W62-Y148 HydrophobicContact CH2-CD2 4.23Å; W62-Y148 HydrophobicContact CZ2-CD2 4.42Å; W62-Y148 HydrophobicContact CZ3-CD2 4.43Å; W62-Y148 HydrophobicContact CZ3-CG 4.39Å; S139-Y148 PolarHBondContact OG-OH 3.47Å; N146-Y148 VanDerWaalsContact C-N 3.28Å; N146-Y148 PolarHBondContact O-N 3.02Å; Y148-W195 HydrophobicContact CD2-CH2 4.02Å; Y148-W195 AromaticContact CE2-CH2 3.85Å; Y148-W195 HydrophobicContact CE2-CH2 3.85Å; Y148-W195 HydrophobicContact CE2-CZ2 4.1Å; Y148-I277 HydrophobicContact CD1-CD1 3.55Å; Y148-I277 HydrophobicContact CD1-CG2 4.22Å; Y148-I277 HydrophobicContact CD2-CG2 4.31Å; Y148-I277 HydrophobicContact CE1-CD1 4.17Å; Y148-I277 HydrophobicContact CE1-CG2 3.94Å; Y148-I277 HydrophobicContact CE2-CG2 4.02Å; Y148-I277 HydrophobicContact CG-CD1 3.82Å; Y148-I277 HydrophobicContact CG-CG2 4.4Å; Y148-H279 AromaticContact CE2-CE1 3.89Å; Y148-H279 AromaticContact CE2-NE2 3.21Å; Y148-H279 WeakPolarHBondContact CE2-NE2 3.47Å; Y148-H279 AromaticContact CZ-NE2 3.22Å; Y148-H279 PolarHBondContact OH-CE1 2.96Å; Y148-H279 VanDerWaalsContact OH-CE1 3.3Å; Y148-H279 PolarHBondContact OH-NE2 3.12Å
149T93.1Very high93.9Very high105 Ų10545.2 Ų45.264%0.64424%0.244SC*.  trans-126.7130.7170.3-53.40000108.2W62 P151W62-T149 WeakPolarHBondContact CZ2-O 3.45Å; W62-T149 PolarHBondContact NE1-O 3.41Å; T149-P151 VanDerWaalsContact O-CD 3.29Å; T149-P151 WeakPolarHBondContact O-CD 3.37Å
150T94.5Very high94Very high41 Ų4144.3 Ų44.325%0.25224%0.237SC..  trans-63.7121.2177.5-560000110.1F154 W195T150-F154 HydrophobicContact CG2-CB 4.11Å; T150-W195 HydrophobicContact CG2-CZ2 4.36Å
151P94.6Very high94.2Very high19 Ų1940.2 Ų40.212%0.12322%0.223CC..  trans-58.5143.4174-25.334.6000111.7W62 T149 F153 F154 I257W62-P151 HydrophobicContact CZ2-CG 4.12Å; T149-P151 VanDerWaalsContact O-CD 3.29Å; T149-P151 WeakPolarHBondContact O-CD 3.37Å; P151-F153 HydrophobicContact CB-CD2 3.98Å; P151-F153 PolarHBondContact O-N 3.19Å; P151-F154 HydrophobicContact CB-CD2 3.95Å; P151-F154 HydrophobicContact CB-CE2 4.12Å; P151-F154 HydrophobicContact CG-CD2 3.96Å; P151-F154 HydrophobicContact CG-CE2 4Å; P151-F154 PolarHBondContact O-N 3.46Å; P151-I257 HydrophobicContact CG-CD1 4.1Å
152V94.7Very high94.3Very high54 Ų5437.7 Ų37.733%0.32721%0.208SC..G310 helixtrans-53.6-29.1-178.468.90000113.4Y38 F154 S155 A370 L371Y38-V152 HydrophobicContact CD2-CG2 4.35Å; Y38-V152 WeakPolarHBondContact CD2-O 3.45Å; V152-F154 PolarHBondContact O-N 3.14Å; V152-S155 WeakPolarHBondContact O-CB 3.34Å; V152-S155 PolarHBondContact O-N 2.8Å; V152-S155 PolarHBondContact O-OG 3.11Å; V152-A370 HydrophobicContact CG2-CB 4.3Å; V152-L371 HydrophobicContact CG2-CD2 4.34Å
153F96.6Very high94.3Very high14 Ų1436.1 Ų36.16%0.06120%0.201CC..G310 helixtrans-57.8-28.3176.6-52.9-61000113.9L36 F41 F54 F58 P151L36-F153 HydrophobicContact CB-CE1 4.36Å; L36-F153 HydrophobicContact CB-CZ 4.39Å; L36-F153 WeakPolarHBondContact O-CE1 3.23Å; L36-F153 WeakPolarHBondContact O-CZ 3.33Å; F41-F153 HydrophobicContact CB-CD1 3.62Å; F41-F153 HydrophobicContact CB-CE1 4.09Å; F41-F153 HydrophobicContact CD1-CB 3.65Å; F41-F153 AromaticContact CD1-CD1 3.86Å; F41-F153 HydrophobicContact CD1-CD1 3.86Å; F41-F153 HydrophobicContact CD1-CG 4.16Å; F41-F153 HydrophobicContact CD2-CD1 4.31Å; F41-F153 HydrophobicContact CE1-CB 3.66Å; F41-F153 VanDerWaalsContact CE1-O 3.32Å; F41-F153 WeakPolarHBondContact CE1-O 3.47Å; F41-F153 HydrophobicContact CG-CB 4.13Å; F41-F153 AromaticContact CG-CD1 3.65Å; F41-F153 HydrophobicContact CG-CD1 3.65Å; F41-F153 HydrophobicContact CG-CE1 4.5Å; F41-F153 HydrophobicContact CG-CG 4.18Å; F41-F153 HydrophobicContact CZ-CB 4.18Å; F54-F153 HydrophobicContact CD1-CD2 4.44Å; F54-F153 AromaticContact CE1-CD2 3.57Å; F54-F153 HydrophobicContact CE1-CD2 3.57Å; F54-F153 AromaticContact CE1-CE2 3.83Å; F54-F153 HydrophobicContact CE1-CE2 3.83Å; F54-F153 HydrophobicContact CE1-CG 4.05Å; F54-F153 HydrophobicContact CE1-CZ 4.48Å; F54-F153 HydrophobicContact CZ-CB 4.32Å; F54-F153 HydrophobicContact CZ-CD2 4.06Å; F54-F153 HydrophobicContact CZ-CG 4.15Å; F58-F153 AromaticContact CD1-CE2 3.99Å; F58-F153 HydrophobicContact CD1-CE2 3.99Å; F58-F153 AromaticContact CE1-CE2 3.59Å; F58-F153 HydrophobicContact CE1-CE2 3.59Å; F58-F153 HydrophobicContact CE1-CZ 4.16Å; P151-F153 HydrophobicContact CB-CD2 3.98Å; P151-F153 PolarHBondContact O-N 3.19Å
154F96.4Very high94.5Very high0 Ų035.5 Ų35.50%019%0.193CC..G310 helixtrans-113.811.5-176.4-42.9-50.9000112.1F41 F54 T150 P151 V152 W195 I257 F259 W281F41-F154 HydrophobicContact CE1-CD1 4.47Å; F41-F154 HydrophobicContact CE1-CE1 4.34Å; F41-F154 HydrophobicContact CZ-CD1 4.39Å; F41-F154 AromaticContact CZ-CE1 3.86Å; F41-F154 HydrophobicContact CZ-CE1 3.86Å; F54-F154 HydrophobicContact CD2-CZ 4.04Å; F54-F154 HydrophobicContact CE2-CE1 4Å; F54-F154 AromaticContact CE2-CZ 3.5Å; F54-F154 HydrophobicContact CE2-CZ 3.5Å; F54-F154 HydrophobicContact CZ-CE1 4.24Å; F54-F154 AromaticContact CZ-CZ 3.87Å; F54-F154 HydrophobicContact CZ-CZ 3.87Å; T150-F154 HydrophobicContact CG2-CB 4.11Å; P151-F154 HydrophobicContact CB-CD2 3.95Å; P151-F154 HydrophobicContact CB-CE2 4.12Å; P151-F154 HydrophobicContact CG-CD2 3.96Å; P151-F154 HydrophobicContact CG-CE2 4Å; P151-F154 PolarHBondContact O-N 3.46Å; V152-F154 PolarHBondContact O-N 3.14Å; F154-W195 VanDerWaalsContact CB-CD1 3.4Å; F154-W195 HydrophobicContact CB-CG 4.4Å; F154-W195 HydrophobicContact CD1-CB 4.41Å; F154-W195 AromaticContact CD1-CD1 3.89Å; F154-W195 HydrophobicContact CD1-CG 4.32Å; F154-W195 HydrophobicContact CD2-CB 4.28Å; F154-W195 AromaticContact CD2-CD1 3.44Å; F154-W195 VanDerWaalsContact CD2-CD1 3.44Å; F154-W195 AromaticContact CD2-CD2 3.87Å; F154-W195 HydrophobicContact CD2-CD2 3.87Å; F154-W195 AromaticContact CD2-CE2 3.86Å; F154-W195 AromaticContact CD2-CG 3.65Å; F154-W195 HydrophobicContact CD2-CG 3.65Å; F154-W195 AromaticContact CD2-NE1 3.58Å; F154-W195 HydrophobicContact CE1-CB 4.24Å; F154-W195 HydrophobicContact CE2-CB 4.13Å; F154-W195 HydrophobicContact CE2-CD2 4.15Å; F154-W195 AromaticContact CE2-CG 3.91Å; F154-W195 HydrophobicContact CE2-CG 3.91Å; F154-W195 HydrophobicContact CG-CB 4.43Å; F154-W195 AromaticContact CG-CD1 3.29Å; F154-W195 HydrophobicContact CG-CD2 4.49Å; F154-W195 AromaticContact CG-CG 3.87Å; F154-W195 HydrophobicContact CG-CG 3.87Å; F154-W195 AromaticContact CG-NE1 3.64Å; F154-W195 HydrophobicContact CZ-CB 4.1Å; F154-W195 HydrophobicContact CZ-CG 4.34Å; F154-I257 HydrophobicContact CE2-CD1 4.34Å; F154-I257 HydrophobicContact CE2-CG2 4.04Å; F154-I257 HydrophobicContact CZ-CG2 4.22Å; F154-F259 HydrophobicContact CE1-CB 4.37Å; F154-W281 HydrophobicContact CB-CH2 4.34Å; F154-W281 HydrophobicContact CB-CZ2 4.31Å; F154-W281 AromaticContact CD1-CH2 3.39Å; F154-W281 HydrophobicContact CD1-CH2 3.39Å; F154-W281 AromaticContact CD1-CZ2 3.64Å; F154-W281 HydrophobicContact CD1-CZ2 3.64Å; F154-W281 HydrophobicContact CD1-CZ3 4.24Å; F154-W281 AromaticContact CE1-CH2 3.98Å; F154-W281 HydrophobicContact CE1-CH2 3.98Å; F154-W281 HydrophobicContact CE1-CZ2 4.47Å; F154-W281 HydrophobicContact CG-CH2 4.11Å; F154-W281 HydrophobicContact CG-CZ2 4.38Å
155S94.8Very high94.5Very high21 Ų2132.2 Ų32.215%0.14718%0.178CC..  trans-84.2-17.8-172660000114.2V152 D157 T367V152-S155 WeakPolarHBondContact O-CB 3.34Å; V152-S155 PolarHBondContact O-N 2.8Å; V152-S155 PolarHBondContact O-OG 3.11Å; S155-D157 PolarHBondContact O-N 2.88Å; S155-T367 WeakPolarHBondContact O-CG2 3.48Å
156S95.9Very high94.6Very high2 Ų233.4 Ų33.41%0.01419%0.186CC..  trans-76.375.6167.5-173.80000108.8N283 H375S156-N283 WeakPolarHBondContact O-CB 3.42Å; S156-N283 WeakPolarHBondContact OG-CB 3.35Å; S156-H375 PolarHBondContact OG-CE1 3.24Å
157D96.4Very high94.7Very high19 Ų1936.4 Ų36.410%0.10220%0.196CC..  trans-115.679.7-169.3-172.5-17.7000110.3S155 L159 N160 E161 H279 W281S155-D157 PolarHBondContact O-N 2.88Å; D157-L159 PolarHBondContact O-N 2.76Å; D157-L159 PolarHBondContact OD1-N 2.83Å; D157-N160 VanDerWaalsContact CG-ND2 3.25Å; D157-N160 WeakPolarHBondContact OD1-CB 3.34Å; D157-N160 PolarHBondContact OD1-N 3.28Å; D157-N160 PolarHBondContact OD1-ND2 2.71Å; D157-N160 PolarHBondContact OD2-ND2 3.18Å; D157-E161 WeakPolarHBondContact O-CB 3.44Å; D157-E161 PolarHBondContact O-N 2.79Å; D157-H279 IonicContact OD2-ND1 3.98Å; D157-W281 HydrophobicContact CB-CB 3.96Å; D157-W281 HydrophobicContact CB-CG 4.48Å; D157-W281 WeakPolarHBondContact OD1-CB 3.11Å
158W97.6Very high94.5Very high0 Ų040.8 Ų40.80%022%0.223CC..Hα-helixtrans-65.5-30.2-176.3-62.110.4000111.9Y162 L282 N283 G284 I287 F337 V341 D379 R382 V383W158-Y162 PolarHBondContact O-N 3.28Å; W158-L282 VanDerWaalsContact CB-O 3.29Å; W158-L282 WeakPolarHBondContact CB-O 3.45Å; W158-L282 PolarHBondContact N-O 3.49Å; W158-N283 HydrophobicContact CD2-CB 4.44Å; W158-N283 HydrophobicContact CG-CB 4.44Å; W158-G284 VanDerWaalsContact CH2-CA 3.4Å; W158-G284 VanDerWaalsContact CH2-N 3.33Å; W158-I287 HydrophobicContact CE3-CD1 4.34Å; W158-I287 HydrophobicContact CE3-CG1 4.48Å; W158-I287 HydrophobicContact CZ3-CB 3.96Å; W158-I287 HydrophobicContact CZ3-CD1 4.3Å; W158-I287 HydrophobicContact CZ3-CG1 3.95Å; W158-I287 HydrophobicContact CZ3-CG2 4.19Å; W158-F337 HydrophobicContact CB-CE2 4.04Å; W158-F337 HydrophobicContact CB-CZ 3.55Å; W158-F337 AromaticContact CE3-CE1 4Å; W158-F337 HydrophobicContact CE3-CE1 4Å; W158-F337 HydrophobicContact CE3-CZ 4.08Å; W158-F337 VanDerWaalsContact O-CE2 3.26Å; W158-F337 WeakPolarHBondContact O-CE2 3.49Å; W158-V341 HydrophobicContact CB-CG2 3.86Å; W158-V341 HydrophobicContact CD2-CG1 3.58Å; W158-V341 HydrophobicContact CD2-CG2 4.06Å; W158-V341 HydrophobicContact CE3-CB 4.5Å; W158-V341 HydrophobicContact CE3-CG1 3.74Å; W158-V341 HydrophobicContact CE3-CG2 4.14Å; W158-V341 HydrophobicContact CG-CG1 4.12Å; W158-V341 HydrophobicContact CG-CG2 3.98Å; W158-V341 HydrophobicContact CH2-CG1 4.11Å; W158-V341 HydrophobicContact CZ2-CG1 4Å; W158-V341 HydrophobicContact CZ3-CG1 3.99Å; W158-D379 HydrophobicContact CH2-CB 4.4Å; W158-D379 HydrophobicContact CZ2-CB 3.54Å; W158-D379 VanDerWaalsContact CZ2-CG 3.45Å; W158-D379 WeakPolarHBondContact CZ2-OD1 3.36Å; W158-R382 HydrophobicContact CH2-CB 4.32Å; W158-V383 HydrophobicContact CH2-CG2 3.66Å; W158-V383 HydrophobicContact CZ2-CG2 4.49Å; W158-V383 HydrophobicContact CZ3-CG2 3.81Å
159L96.4Very high94.3Very high2 Ų241.6 Ų41.61%0.0123%0.229CC..Hα-helixtrans-65-53.9-178.7-174.855.9000110.2D157 E161 Y162 W163 Y171 F190 N280 L282D157-L159 PolarHBondContact O-N 2.76Å; D157-L159 PolarHBondContact OD1-N 2.83Å; L159-E161 VanDerWaalsContact C-N 3.35Å; L159-Y162 PolarHBondContact O-N 3.03Å; L159-W163 VanDerWaalsContact CD1-NE1 3.33Å; L159-W163 PolarHBondContact O-N 2.85Å; L159-Y171 HydrophobicContact CD1-CD2 4.13Å; L159-Y171 HydrophobicContact CD1-CE2 4.2Å; L159-Y171 HydrophobicContact CD2-CD1 3.75Å; L159-Y171 HydrophobicContact CD2-CD2 3.87Å; L159-Y171 HydrophobicContact CD2-CE1 4.27Å; L159-Y171 HydrophobicContact CD2-CE2 4.42Å; L159-Y171 HydrophobicContact CD2-CG 3.5Å; L159-Y171 HydrophobicContact CG-CD2 3.78Å; L159-Y171 HydrophobicContact CG-CE2 4.35Å; L159-Y171 HydrophobicContact CG-CG 3.91Å; L159-F190 HydrophobicContact CD1-CD2 4.08Å; L159-F190 HydrophobicContact CD1-CE2 4.01Å; L159-F190 HydrophobicContact CD2-CD2 4.22Å; L159-N280 HydrophobicContact CD2-CB 4.33Å; L159-L282 HydrophobicContact CB-CB 4.48Å; L159-L282 HydrophobicContact CB-CD1 4.31Å; L159-L282 HydrophobicContact CD1-CD1 4.27Å
160N95.6Very high94.4Very high3 Ų336.6 Ų36.62%0.01620%0.198CC..Hα-helixtrans-72.7-28.6179.8-74.2-65.1000112.7D157 Y162 W163 D164 Y171 N280D157-N160 VanDerWaalsContact CG-ND2 3.25Å; D157-N160 WeakPolarHBondContact OD1-CB 3.34Å; D157-N160 PolarHBondContact OD1-N 3.28Å; D157-N160 PolarHBondContact OD1-ND2 2.71Å; D157-N160 PolarHBondContact OD2-ND2 3.18Å; N160-Y162 VanDerWaalsContact C-N 3.34Å; N160-Y162 PolarHBondContact O-N 2.81Å; N160-W163 PolarHBondContact O-N 2.89Å; N160-D164 VanDerWaalsContact O-CB 3.22Å; N160-D164 WeakPolarHBondContact O-CB 3.39Å; N160-D164 PolarHBondContact O-N 3.07Å; N160-Y171 WeakPolarHBondContact OD1-CA 3.35Å; N160-Y171 PolarHBondContact OD1-N 2.74Å; N160-N280 PolarHBondContact ND2-O 3.18Å; N160-N280 VanDerWaalsContact ND2-O 3.1Å
161E95.1Very high94.5Very high18 Ų1836 Ų368%0.08419%0.192CC..Hα-helixtrans-59.7-43.7170.3-178.3-172.7143.100112.4D157 L159 T165 N344 R345 L364D157-E161 WeakPolarHBondContact O-CB 3.44Å; D157-E161 PolarHBondContact O-N 2.79Å; L159-E161 VanDerWaalsContact C-N 3.35Å; E161-T165 WeakPolarHBondContact O-CB 3.48Å; E161-T165 PolarHBondContact O-N 2.82Å; E161-T165 VanDerWaalsContact O-N 3.07Å; E161-T165 PolarHBondContact O-OG1 2.82Å; E161-N344 PolarHBondContact OE1-ND2 3.31Å; E161-R345 IonicContact OE1-CZ 3.33Å; E161-R345 IonicContact OE1-NH1 3.6Å; E161-R345 PolarHBondContact OE1-NH1 2.67Å; E161-R345 IonicContact OE1-NH2 3.75Å; E161-R345 IonicContact OE2-CZ 3.34Å; E161-R345 IonicContact OE2-NH1 3.7Å; E161-R345 PolarHBondContact OE2-NH1 3.44Å; E161-R345 IonicContact OE2-NH2 3.35Å; E161-R345 PolarHBondContact OE2-NH2 3.36Å; E161-L364 HydrophobicContact CG-CD1 4.07Å; E161-L364 HydrophobicContact CG-CD2 4.34Å
162Y95.5Very high94.6Very high10 Ų1037 Ų374%0.03919%0.193CC..Hα-helixtrans-62.2-49.9176.4173.4-107.2000111.5W158 L159 N160 T165 L166 F337 I340W158-Y162 PolarHBondContact O-N 3.28Å; L159-Y162 PolarHBondContact O-N 3.03Å; N160-Y162 VanDerWaalsContact C-N 3.34Å; N160-Y162 PolarHBondContact O-N 2.81Å; Y162-T165 WeakPolarHBondContact O-CB 3.48Å; Y162-T165 PolarHBondContact O-N 3.2Å; Y162-L166 HydrophobicContact CD1-CD1 4.3Å; Y162-L166 HydrophobicContact CD2-CD1 4.46Å; Y162-L166 HydrophobicContact CE1-CD1 3.64Å; Y162-L166 HydrophobicContact CE2-CD1 3.84Å; Y162-L166 HydrophobicContact CE2-CG 4.38Å; Y162-L166 WeakPolarHBondContact O-CG 3.33Å; Y162-L166 PolarHBondContact O-N 3.14Å; Y162-L166 VanDerWaalsContact O-N 3.14Å; Y162-L166 WeakPolarHBondContact OH-CD1 3.47Å; Y162-F337 HydrophobicContact CD1-CD2 4.09Å; Y162-F337 VanDerWaalsContact CD2-CA 3.47Å; Y162-F337 HydrophobicContact CD2-CB 3.83Å; Y162-F337 HydrophobicContact CD2-CD2 4.09Å; Y162-F337 HydrophobicContact CD2-CG 4.42Å; Y162-F337 HydrophobicContact CE2-CB 3.9Å; Y162-F337 HydrophobicContact CG-CB 4.17Å; Y162-F337 AromaticContact CG-CD2 3.65Å; Y162-F337 HydrophobicContact CG-CD2 3.65Å; Y162-F337 HydrophobicContact CG-CG 4.39Å; Y162-I340 HydrophobicContact CD2-CD1 3.54Å; Y162-I340 HydrophobicContact CE2-CD1 3.75Å
163W94.6Very high94.7Very high23 Ų2335.1 Ų35.19%0.08718%0.18CC..Hα-helixtrans-71.6-33.9-176.5-65.1114.3000113.7L159 N160 T165 L166 E167 V168 D169 Y171 I329L159-W163 VanDerWaalsContact CD1-NE1 3.33Å; L159-W163 PolarHBondContact O-N 2.85Å; N160-W163 PolarHBondContact O-N 2.89Å; W163-T165 VanDerWaalsContact C-N 3.3Å; W163-T165 PolarHBondContact O-N 2.72Å; W163-L166 HydrophobicContact CE3-CD1 4.31Å; W163-L166 HydrophobicContact CZ3-CD1 4.31Å; W163-L166 PolarHBondContact O-N 2.71Å; W163-E167 PolarHBondContact O-N 3.21Å; W163-V168 HydrophobicContact CE3-CB 4.4Å; W163-D169 WeakPolarHBondContact CB-O 3.43Å; W163-D169 HydrophobicContact CD2-CB 4.29Å; W163-D169 HydrophobicContact CE3-CB 4.06Å; W163-Y171 AromaticContact CD1-CD2 3.43Å; W163-Y171 VanDerWaalsContact CD1-CD2 3.43Å; W163-Y171 AromaticContact CD1-CE2 3.48Å; W163-Y171 VanDerWaalsContact CD1-CE2 3.48Å; W163-Y171 HydrophobicContact CD2-CE2 4.44Å; W163-Y171 AromaticContact CE2-CE2 3.71Å; W163-Y171 HydrophobicContact CG-CD2 4.36Å; W163-Y171 HydrophobicContact CG-CE2 4.32Å; W163-Y171 HydrophobicContact CZ2-CE2 4.29Å; W163-Y171 AromaticContact NE1-CD2 3.53Å; W163-Y171 AromaticContact NE1-CE2 3.08Å; W163-I329 HydrophobicContact CH2-CG2 4.27Å; W163-I329 HydrophobicContact CZ2-CG2 3.98Å
164D92.7Very high94.8Very high71 Ų7134.6 Ų34.638%0.3818%0.178SC..Hα-helixtrans-62.9-38.2170.4-75.2-1.3000111.3N160 L166 E167 R172N160-D164 VanDerWaalsContact O-CB 3.22Å; N160-D164 WeakPolarHBondContact O-CB 3.39Å; N160-D164 PolarHBondContact O-N 3.07Å; D164-L166 VanDerWaalsContact C-N 3.28Å; D164-L166 PolarHBondContact O-N 3.45Å; D164-E167 WeakPolarHBondContact O-CG 3.44Å; D164-E167 PolarHBondContact O-N 2.86Å; D164-R172 IonicContact OD1-CZ 2.88Å; D164-R172 VanDerWaalsContact OD1-CZ 3.24Å; D164-R172 IonicContact OD1-NH1 3.99Å; D164-R172 PolarHBondContact OD1-NH1 2.98Å; D164-R172 IonicContact OD1-NH2 2.92Å; D164-R172 PolarHBondContact OD1-NH2 2.8Å; D164-R172 IonicContact OD2-CZ 3.77Å; D164-R172 IonicContact OD2-NH1 2.61Å; D164-R172 IonicContact OD2-NH2 3.88Å; D164-R172 PolarHBondContact OD2-NH2 3.44Å
165T92.4Very high94.9Very high75 Ų7535.9 Ų35.946%0.4618%0.183SC..Hα-helixtrans-65.7-33.9177.5-59.30000111.7E161 Y162 W163 I340E161-T165 WeakPolarHBondContact O-CB 3.48Å; E161-T165 PolarHBondContact O-N 2.82Å; E161-T165 VanDerWaalsContact O-N 3.07Å; E161-T165 PolarHBondContact O-OG1 2.82Å; Y162-T165 WeakPolarHBondContact O-CB 3.48Å; Y162-T165 PolarHBondContact O-N 3.2Å; W163-T165 VanDerWaalsContact C-N 3.3Å; W163-T165 PolarHBondContact O-N 2.72Å; T165-I340 HydrophobicContact CG2-CD1 3.99Å; T165-I340 HydrophobicContact CG2-CG1 4.38Å; T165-I340 HydrophobicContact CG2-CG2 4.22Å
166L91.9Very high95.1Very high74 Ų7434.9 Ų34.939%0.38718%0.176SC..Hα-helixtrans-84.8-18.2177.7-62.8-173.9000113.4Y162 W163 D164 V168 I340Y162-L166 HydrophobicContact CD1-CD1 4.3Å; Y162-L166 HydrophobicContact CD2-CD1 4.46Å; Y162-L166 HydrophobicContact CE1-CD1 3.64Å; Y162-L166 HydrophobicContact CE2-CD1 3.84Å; Y162-L166 HydrophobicContact CE2-CG 4.38Å; Y162-L166 WeakPolarHBondContact O-CG 3.33Å; Y162-L166 PolarHBondContact O-N 3.14Å; Y162-L166 VanDerWaalsContact O-N 3.14Å; Y162-L166 WeakPolarHBondContact OH-CD1 3.47Å; W163-L166 HydrophobicContact CE3-CD1 4.31Å; W163-L166 HydrophobicContact CZ3-CD1 4.31Å; W163-L166 PolarHBondContact O-N 2.71Å; D164-L166 VanDerWaalsContact C-N 3.28Å; D164-L166 PolarHBondContact O-N 3.45Å; L166-V168 HydrophobicContact CB-CB 4.43Å; L166-V168 HydrophobicContact CB-CG2 4.02Å; L166-V168 WeakPolarHBondContact O-CG2 3.38Å; L166-V168 PolarHBondContact O-N 3.43Å; L166-I340 HydrophobicContact CD2-CD1 4.41Å
167E90.8Very high95.2Very high181 Ų18134.8 Ų34.885%0.84618%0.175SC*.THydrogen-bonded Turntrans55.630.9-174.5-56.1-176.3162.700113.3W163 D164W163-E167 PolarHBondContact O-N 3.21Å; D164-E167 WeakPolarHBondContact O-CG 3.44Å; D164-E167 PolarHBondContact O-N 2.86Å
168V88.7Confident95.3Very high96 Ų9633.9 Ų33.958%0.58217%0.171SC*.SBendtrans-103.6-40.9-176.8177.60000112.6W163 L166W163-V168 HydrophobicContact CE3-CB 4.4Å; L166-V168 HydrophobicContact CB-CB 4.43Å; L166-V168 HydrophobicContact CB-CG2 4.02Å; L166-V168 WeakPolarHBondContact O-CG2 3.38Å; L166-V168 PolarHBondContact O-N 3.43Å
169D91.6Very high95.4Very high45 Ų4538.7 Ų38.724%0.24119%0.192CC..  trans-153.1-179.2-172.9-148.1-5.5000112.5H137 R140 W163H137-D169 IonicContact CE1-OD1 3.63Å; H137-D169 PolarHBondContact CE1-OD1 3.5Å; H137-D169 IonicContact ND1-OD1 3.71Å; H137-D169 PolarHBondContact ND1-OD1 3.21Å; H137-D169 IonicContact NE2-OD1 2.54Å; R140-D169 IonicContact CZ-OD1 3.31Å; R140-D169 IonicContact NH1-OD1 2.66Å; R140-D169 PolarHBondContact NH1-OD1 3.21Å; W163-D169 WeakPolarHBondContact CB-O 3.43Å; W163-D169 HydrophobicContact CD2-CB 4.29Å; W163-D169 HydrophobicContact CE3-CB 4.06Å
170D95.2Very high95.4Very high1 Ų140.5 Ų40.51%0.00521%0.211CC..  trans-150.1167.316474.4-10000112.2H137 R140 R172H137-D170 WeakPolarHBondContact CB-OD1 3.45Å; H137-D170 PolarHBondContact CE1-O 2.79Å; H137-D170 IonicContact CE1-OD1 2.97Å; H137-D170 IonicContact CG-OD1 2.85Å; H137-D170 PolarHBondContact ND1-O 3.33Å; H137-D170 VanDerWaalsContact ND1-O 3.08Å; H137-D170 IonicContact ND1-OD1 3.35Å; H137-D170 PolarHBondContact ND1-OD1 2.93Å; R140-D170 PolarHBondContact N-OD2 3.1Å; D170-R172 HydrophobicContact CB-CG 4.26Å; D170-R172 WeakPolarHBondContact OD2-CB 3.41Å; D170-R172 IonicContact OD2-NH1 3.48Å; D170-R172 PolarHBondContact OD2-NH1 3.07Å
171Y96.8Very high95.6Very high28 Ų2840.4 Ų40.411%0.1121%0.21CC..SBendtrans-116.144.3176.5-78.6-98.8000109.8L159 N160 W163 F173 V189 F190 H279 N280L159-Y171 HydrophobicContact CD1-CD2 4.13Å; L159-Y171 HydrophobicContact CD1-CE2 4.2Å; L159-Y171 HydrophobicContact CD2-CD1 3.75Å; L159-Y171 HydrophobicContact CD2-CD2 3.87Å; L159-Y171 HydrophobicContact CD2-CE1 4.27Å; L159-Y171 HydrophobicContact CD2-CE2 4.42Å; L159-Y171 HydrophobicContact CD2-CG 3.5Å; L159-Y171 HydrophobicContact CG-CD2 3.78Å; L159-Y171 HydrophobicContact CG-CE2 4.35Å; L159-Y171 HydrophobicContact CG-CG 3.91Å; N160-Y171 WeakPolarHBondContact OD1-CA 3.35Å; N160-Y171 PolarHBondContact OD1-N 2.74Å; W163-Y171 AromaticContact CD1-CD2 3.43Å; W163-Y171 VanDerWaalsContact CD1-CD2 3.43Å; W163-Y171 AromaticContact CD1-CE2 3.48Å; W163-Y171 VanDerWaalsContact CD1-CE2 3.48Å; W163-Y171 HydrophobicContact CD2-CE2 4.44Å; W163-Y171 AromaticContact CE2-CE2 3.71Å; W163-Y171 HydrophobicContact CG-CD2 4.36Å; W163-Y171 HydrophobicContact CG-CE2 4.32Å; W163-Y171 HydrophobicContact CZ2-CE2 4.29Å; W163-Y171 AromaticContact NE1-CD2 3.53Å; W163-Y171 AromaticContact NE1-CE2 3.08Å; Y171-F173 HydrophobicContact CD1-CE2 4.3Å; Y171-F173 HydrophobicContact CD1-CZ 4.07Å; Y171-F173 HydrophobicContact CG-CZ 4.43Å; Y171-V189 HydrophobicContact CD1-CG1 3.59Å; Y171-V189 HydrophobicContact CE1-CB 4.2Å; Y171-V189 HydrophobicContact CE1-CG1 3.41Å; Y171-V189 VanDerWaalsContact CE1-CG1 3.41Å; Y171-V189 HydrophobicContact CE1-CG2 3.94Å; Y171-F190 HydrophobicContact CE1-CE2 4.19Å; Y171-F190 AromaticContact CZ-CE2 3.84Å; Y171-F190 WeakPolarHBondContact OH-CE2 3.41Å; Y171-H279 WeakPolarHBondContact O-CA 3.4Å; Y171-N280 HydrophobicContact CD1-CB 4.15Å; Y171-N280 PolarHBondContact O-N 3.41Å
172R97Very high95.7Very high39 Ų3940.9 Ų40.915%0.14721%0.211CC..EExtended strand (participates in β ladder)trans-124.7111.3-179.7-45175.5-167.1112-2.1108.3D164 D170 N278D164-R172 IonicContact OD1-CZ 2.88Å; D164-R172 VanDerWaalsContact OD1-CZ 3.24Å; D164-R172 IonicContact OD1-NH1 3.99Å; D164-R172 PolarHBondContact OD1-NH1 2.98Å; D164-R172 IonicContact OD1-NH2 2.92Å; D164-R172 PolarHBondContact OD1-NH2 2.8Å; D164-R172 IonicContact OD2-CZ 3.77Å; D164-R172 IonicContact OD2-NH1 2.61Å; D164-R172 IonicContact OD2-NH2 3.88Å; D164-R172 PolarHBondContact OD2-NH2 3.44Å; D170-R172 HydrophobicContact CB-CG 4.26Å; D170-R172 WeakPolarHBondContact OD2-CB 3.41Å; D170-R172 IonicContact OD2-NH1 3.48Å; D170-R172 PolarHBondContact OD2-NH1 3.07Å; R172-N278 CarbonylContact C-O 3.58Å; R172-N278 WeakPolarHBondContact CA-O 3.16Å
173F97.6Very high95.8Very high16 Ų1641.3 Ų41.37%0.0722%0.215CC..EExtended strand (participates in β ladder)trans-119.1141.5-168.6-50-72.3000111.9D135 W136 H137 Y171 Y175 I277 N278 N280D135-F173 HydrophobicContact CB-CD1 4.14Å; D135-F173 HydrophobicContact CB-CE1 4.34Å; W136-F173 WeakPolarHBondContact O-CA 3.19Å; H137-F173 AromaticContact CE1-CE1 3.4Å; H137-F173 WeakPolarHBondContact CE1-CE1 3.32Å; H137-F173 AromaticContact ND1-CE1 3.85Å; H137-F173 AromaticContact NE2-CE1 3.6Å; Y171-F173 HydrophobicContact CD1-CE2 4.3Å; Y171-F173 HydrophobicContact CD1-CZ 4.07Å; Y171-F173 HydrophobicContact CG-CZ 4.43Å; F173-Y175 HydrophobicContact CB-CD1 3.95Å; F173-Y175 HydrophobicContact CB-CE1 3.31Å; F173-Y175 HydrophobicContact CD2-CE1 4.47Å; F173-Y175 AromaticContact CG-CE1 3.97Å; F173-Y175 HydrophobicContact CG-CE1 3.97Å; F173-I277 WeakPolarHBondContact O-CA 3.47Å; F173-N278 HydrophobicContact CB-CB 4.36Å; F173-N278 PolarHBondContact N-O 3.03Å; F173-N278 PolarHBondContact O-N 2.96Å; F173-N280 WeakPolarHBondContact CE2-OD1 3.28Å
174V98.4Very high96Very high2 Ų240.5 Ų40.51%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-97.9127.6160.6177.30000108.2W68 L133 W136 M138 M176W68-V174 HydrophobicContact CH2-CG1 4.5Å; W68-V174 HydrophobicContact CH2-CG2 4.07Å; W68-V174 HydrophobicContact CZ3-CG1 4.2Å; W68-V174 HydrophobicContact CZ3-CG2 4.28Å; L133-V174 WeakPolarHBondContact CD2-O 3.46Å; W136-V174 HydrophobicContact CE3-CB 3.82Å; W136-V174 HydrophobicContact CE3-CG1 3.93Å; W136-V174 HydrophobicContact CE3-CG2 4.46Å; W136-V174 HydrophobicContact CZ3-CB 4.46Å; W136-V174 HydrophobicContact CZ3-CG1 4.28Å; W136-V174 PolarHBondContact N-O 2.97Å; W136-V174 PolarHBondContact O-N 3.07Å; M138-V174 HydrophobicContact CB-CB 4.41Å; M138-V174 HydrophobicContact CB-CG2 3.71Å; M138-V174 HydrophobicContact CE-CG2 4.11Å; M138-V174 HydrophobicContact CG-CG2 4.32Å; V174-M176 HydrophobicContact CG1-CE 3.41Å; V174-M176 VanDerWaalsContact CG1-CE 3.41Å
175Y98.6Very high96.2Very high27 Ų2737.7 Ų37.711%0.10620%0.197CC..EExtended strand (participates in β ladder)trans-114.5137.9169.9-53.1-27.2000109.7Y132 L133 K134 D135 F173 I275 S276 N278Y132-Y175 VanDerWaalsContact OH-CB 3.3Å; Y132-Y175 WeakPolarHBondContact OH-CB 3.45Å; L133-Y175 CarbonylContact O-C 3.5Å; L133-Y175 WeakPolarHBondContact O-CA 3.16Å; K134-Y175 HydrophobicContact CB-CD1 3.85Å; K134-Y175 HydrophobicContact CB-CE1 4.19Å; K134-Y175 HydrophobicContact CB-CG 4.36Å; D135-Y175 HydrophobicContact CB-CE1 4.49Å; D135-Y175 VanDerWaalsContact OD1-CE1 3.25Å; D135-Y175 WeakPolarHBondContact OD1-CE1 3.28Å; D135-Y175 PolarHBondContact OD1-OH 3.36Å; D135-Y175 VanDerWaalsContact OD1-OH 3.04Å; F173-Y175 HydrophobicContact CB-CD1 3.95Å; F173-Y175 HydrophobicContact CB-CE1 3.31Å; F173-Y175 HydrophobicContact CD2-CE1 4.47Å; F173-Y175 AromaticContact CG-CE1 3.97Å; F173-Y175 HydrophobicContact CG-CE1 3.97Å; Y175-I275 CarbonylContact O-C 3.52Å; Y175-I275 WeakPolarHBondContact O-CA 3.43Å; Y175-S276 PolarHBondContact N-O 3Å; Y175-S276 PolarHBondContact O-N 2.81Å; Y175-N278 HydrophobicContact CD2-CB 4.16Å; Y175-N278 VanDerWaalsContact CD2-CG 3.48Å; Y175-N278 WeakPolarHBondContact CD2-OD1 3.47Å; Y175-N278 HydrophobicContact CE2-CB 3.71Å; Y175-N278 WeakPolarHBondContact CE2-ND2 2.97Å
176M98.4Very high96.5Very high0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-153.7140.7173.362-179.979.600112.6L80 L109 F112 W116 Y132 L133 W136 V174 T274 I275L80-M176 HydrophobicContact CD1-SD 4.21Å; L80-M176 HydrophobicContact CD2-CE 4.35Å; L109-M176 HydrophobicContact CD1-SD 4.37Å; F112-M176 HydrophobicContact CE1-CG 4.08Å; F112-M176 WeakPolarHBondContact CZ-O 3.42Å; W116-M176 HydrophobicContact CH2-CB 3.91Å; W116-M176 HydrophobicContact CZ3-CB 3.79Å; W116-M176 HydrophobicContact CZ3-CG 3.89Å; W116-M176 HydrophobicContact CZ3-SD 4.13Å; Y132-M176 WeakPolarHBondContact CD2-O 3.36Å; L133-M176 WeakPolarHBondContact CA-O 3.26Å; L133-M176 HydrophobicContact CB-CG 3.89Å; L133-M176 VanDerWaalsContact CB-O 3.28Å; L133-M176 WeakPolarHBondContact CB-O 3.25Å; L133-M176 HydrophobicContact CD1-CG 3.79Å; L133-M176 HydrophobicContact CD1-SD 4.1Å; L133-M176 HydrophobicContact CD2-CG 4.14Å; L133-M176 HydrophobicContact CG-CG 4.18Å; L133-M176 PolarHBondContact N-O 3.02Å; L133-M176 PolarHBondContact O-N 3.19Å; W136-M176 HydrophobicContact CE3-CE 4.24Å; W136-M176 HydrophobicContact CZ3-CE 3.97Å; V174-M176 HydrophobicContact CG1-CE 3.41Å; V174-M176 VanDerWaalsContact CG1-CE 3.41Å; M176-T274 CarbonylContact C-O 3.58Å; M176-T274 WeakPolarHBondContact CA-O 3.47Å; M176-T274 WeakPolarHBondContact CB-O 3.46Å; M176-I275 HydrophobicContact CB-CB 4.26Å; M176-I275 HydrophobicContact CB-CG1 3.8Å; M176-I275 HydrophobicContact CB-CG2 4.33Å; M176-I275 HydrophobicContact CE-CG2 4.38Å
177G98.2Very high96.7Very high0 Ų034.5 Ų34.50%018%0.179CC..EExtended strand (participates in β ladder)trans-176168.1179.200000114.3W116 T274W116-G177 VanDerWaalsContact CE2-C 3.48Å; W116-G177 VanDerWaalsContact CH2-N 3.29Å; W116-G177 WeakPolarHBondContact CZ2-O 3.15Å; G177-T274 PolarHBondContact N-O 2.74Å; G177-T274 PolarHBondContact O-N 2.84Å
178P98.4Very high97Very high0 Ų026.7 Ų26.70%014%0.143CC..  trans-67.3161.3-177.226.6-32.4000112.4W116 Y119 L131 G180 S181 D273W116-P178 HydrophobicContact CG-CB 4.44Å; Y119-P178 HydrophobicContact CD1-CB 3.46Å; Y119-P178 VanDerWaalsContact CD1-CB 3.46Å; Y119-P178 HydrophobicContact CD1-CG 3.86Å; Y119-P178 HydrophobicContact CE1-CB 3.6Å; Y119-P178 HydrophobicContact CE1-CG 3.9Å; Y119-P178 HydrophobicContact CG-CB 4.39Å; Y119-P178 HydrophobicContact CG-CG 4.42Å; L131-P178 WeakPolarHBondContact O-CD 3.3Å; P178-G180 PolarHBondContact O-N 3Å; P178-S181 WeakPolarHBondContact O-CB 3.47Å; P178-S181 PolarHBondContact O-N 2.81Å; P178-S181 PolarHBondContact O-OG 2.72Å; P178-D273 WeakPolarHBondContact CA-OD1 3.4Å
179K98.5Very high97.3Very high102 Ų10224.7 Ų24.744%0.44313%0.13SC..THydrogen-bonded Turntrans-45.8132.1163174.1174.5-179.3-176.50111.1L271 D273K179-L271 WeakPolarHBondContact CD-O 3.39Å; K179-L271 WeakPolarHBondContact CE-O 3.4Å; K179-L271 VanDerWaalsContact CG-O 3.3Å; K179-L271 WeakPolarHBondContact CG-O 3.42Å; K179-D273 PolarHBondContact N-OD1 2.81Å; K179-D273 VanDerWaalsContact N-OD1 3.12Å
180G98Very high97.5Very high40 Ų4022.6 Ų22.641%0.41212%0.119SC..THydrogen-bonded Turntrans93.6-11-178.700000114.3C130 P178 N270C130-G180 VanDerWaalsContact SG-C 3.58Å; P178-G180 PolarHBondContact O-N 3Å; G180-N270 PolarHBondContact N-O 2.97Å
181S98.5Very high97.6Very high0 Ų025.6 Ų25.60%013%0.13CC..  trans-65.9147.2168.1540000110.4C130 P178 N270C130-S181 VanDerWaalsContact SG-CA 3.51Å; C130-S181 PolarHBondContact SG-N 2.94Å; P178-S181 WeakPolarHBondContact O-CB 3.47Å; P178-S181 PolarHBondContact O-N 2.81Å; P178-S181 PolarHBondContact O-OG 2.72Å; S181-N270 WeakPolarHBondContact O-CB 3.36Å; S181-N270 PolarHBondContact O-N 2.92Å; S181-N270 PolarHBondContact OG-ND2 3.07Å
182W98.4Very high97.7Very high28 Ų2824.3 Ų24.311%0.10613%0.125CC..EExtended strand (participates in β ladder)trans-157161.4-173.572.3-73.8000111.8C94 N102 P184 Y225 D226 Q267 V268 Y269C94-W182 PolarHBondContact O-NE1 3.4Å; C94-W182 VanDerWaalsContact O-NE1 3.11Å; C94-W182 PolarHBondContact SG-N 2.96Å; C94-W182 VanDerWaalsContact SG-N 3.44Å; C94-W182 PolarHBondContact SG-O 2.86Å; C94-W182 VanDerWaalsContact SG-O 3.32Å; N102-W182 PolarHBondContact OD1-O 3.46Å; W182-P184 HydrophobicContact CH2-CB 4.38Å; W182-P184 HydrophobicContact CH2-CG 4.05Å; W182-P184 VanDerWaalsContact CZ3-CA 3.5Å; W182-P184 HydrophobicContact CZ3-CB 4.16Å; W182-P184 HydrophobicContact CZ3-CG 4.08Å; W182-Y225 AromaticContact CH2-CD1 3.79Å; W182-Y225 HydrophobicContact CH2-CD1 3.79Å; W182-Y225 AromaticContact CH2-CE1 3.39Å; W182-Y225 HydrophobicContact CH2-CE1 3.39Å; W182-Y225 AromaticContact CH2-CZ 3.9Å; W182-Y225 HydrophobicContact CZ2-CD1 4.32Å; W182-Y225 AromaticContact CZ2-CE1 3.51Å; W182-Y225 HydrophobicContact CZ2-CE1 3.51Å; W182-Y225 AromaticContact CZ2-CZ 3.94Å; W182-D226 HydrophobicContact CH2-CB 4.06Å; W182-D226 HydrophobicContact CZ3-CB 4.31Å; W182-Q267 HydrophobicContact CE3-CG 4.21Å; W182-Q267 HydrophobicContact CZ3-CG 4.31Å; W182-V268 CarbonylContact C-O 3.41Å; W182-V268 WeakPolarHBondContact CA-O 3.2Å; W182-V268 VanDerWaalsContact CB-O 3.24Å; W182-V268 WeakPolarHBondContact CB-O 3.44Å; W182-Y269 HydrophobicContact CB-CD1 3.45Å; W182-Y269 VanDerWaalsContact CB-CD1 3.45Å; W182-Y269 HydrophobicContact CB-CE1 3.93Å; W182-Y269 HydrophobicContact CB-CG 4.14Å; W182-Y269 HydrophobicContact CD2-CD1 4.5Å; W182-Y269 HydrophobicContact CD2-CE1 4.06Å; W182-Y269 HydrophobicContact CE3-CE1 4.01Å; W182-Y269 HydrophobicContact CG-CD1 4.03Å; W182-Y269 HydrophobicContact CG-CE1 4.03Å
183T97.6Very high97.8Very high19 Ų1922.5 Ų22.512%0.11712%0.119CC..EExtended strand (participates in β ladder)trans-116.7125.6174.6-57.50000109.2H186 Q267 V268T183-H186 VanDerWaalsContact CG2-CE1 3.44Å; T183-H186 WeakPolarHBondContact CG2-CE1 3.47Å; T183-Q267 WeakPolarHBondContact O-CG 3.37Å; T183-V268 PolarHBondContact N-O 2.63Å; T183-V268 PolarHBondContact O-N 2.93Å
184P97.9Very high97.8Very high7 Ų721.9 Ų21.95%0.04512%0.116CC..EExtended strand (participates in β ladder)trans-53.2164.6175-29.936.7000114.8N102 W182 H186 Y225N102-P184 WeakPolarHBondContact OD1-CD 3.28Å; W182-P184 HydrophobicContact CH2-CB 4.38Å; W182-P184 HydrophobicContact CH2-CG 4.05Å; W182-P184 VanDerWaalsContact CZ3-CA 3.5Å; W182-P184 HydrophobicContact CZ3-CB 4.16Å; W182-P184 HydrophobicContact CZ3-CG 4.08Å; P184-H186 PolarHBondContact O-N 2.94Å; P184-H186 PolarHBondContact O-ND1 2.67Å; P184-Y225 HydrophobicContact CB-CD2 3.74Å; P184-Y225 HydrophobicContact CB-CE2 3.61Å; P184-Y225 HydrophobicContact CB-CG 4.46Å; P184-Y225 WeakPolarHBondContact CB-O 3.3Å; P184-Y225 HydrophobicContact CG-CD2 3.89Å; P184-Y225 HydrophobicContact CG-CE1 4.39Å; P184-Y225 HydrophobicContact CG-CE2 3.2Å
185F98.1Very high97.8Very high12 Ų1221.8 Ų21.85%0.05312%0.116CC..EExtended strand (participates in β ladder)trans-63.2121.3178.1-172.8-121.7000111.9Y208 E213 L216 L223 P224 Y225 V227 H265 H266 Q267F185-Y208 AromaticContact CE2-CD2 3.54Å; F185-Y208 HydrophobicContact CE2-CD2 3.54Å; F185-Y208 HydrophobicContact CE2-CE2 4.13Å; F185-Y208 HydrophobicContact CE2-CG 4.27Å; F185-Y208 AromaticContact CZ-CD2 3.9Å; F185-Y208 HydrophobicContact CZ-CD2 3.9Å; F185-Y208 HydrophobicContact CZ-CE2 4.48Å; F185-Y208 HydrophobicContact CZ-CG 4.25Å; F185-E213 HydrophobicContact CE1-CB 4.48Å; F185-L216 HydrophobicContact CE1-CD1 3.77Å; F185-L216 HydrophobicContact CZ-CD1 3.61Å; F185-L223 HydrophobicContact CD1-CB 4.43Å; F185-L223 HydrophobicContact CE1-CD2 4.34Å; F185-P224 WeakPolarHBondContact CB-O 3.38Å; F185-P224 HydrophobicContact CD1-CG 3.99Å; F185-P224 HydrophobicContact CE1-CG 4.41Å; F185-Y225 PolarHBondContact N-O 3.09Å; F185-V227 HydrophobicContact CB-CG1 3.79Å; F185-V227 HydrophobicContact CD1-CG1 3.61Å; F185-V227 HydrophobicContact CD2-CB 4.49Å; F185-V227 HydrophobicContact CD2-CG1 3.46Å; F185-V227 VanDerWaalsContact CD2-CG1 3.46Å; F185-V227 HydrophobicContact CD2-CG2 4.23Å; F185-V227 HydrophobicContact CE1-CG1 3.93Å; F185-V227 HydrophobicContact CE2-CG1 3.8Å; F185-V227 HydrophobicContact CG-CG1 3.34Å; F185-V227 HydrophobicContact CZ-CG1 4Å; F185-H265 HydrophobicContact CD2-CB 4.24Å; F185-H265 HydrophobicContact CE1-CB 3.95Å; F185-H265 HydrophobicContact CE2-CB 3.38Å; F185-H265 HydrophobicContact CZ-CB 3.22Å; F185-H266 WeakPolarHBondContact CA-O 3.24Å; F185-Q267 HydrophobicContact CB-CB 4.48Å; F185-Q267 HydrophobicContact CD2-CB 4.38Å
186H97.2Very high97.8Very high61 Ų6120.5 Ų20.528%0.28211%0.111SC..EExtended strand (participates in β ladder)trans-155.9167.6-177.167.9-64.3000110.7T183 P184 H265 H266T183-H186 VanDerWaalsContact CG2-CE1 3.44Å; T183-H186 WeakPolarHBondContact CG2-CE1 3.47Å; P184-H186 PolarHBondContact O-N 2.94Å; P184-H186 PolarHBondContact O-ND1 2.67Å; H186-H265 CarbonylContact O-C 3.59Å; H186-H265 WeakPolarHBondContact O-CA 3.17Å; H186-H266 AromaticContact CE1-CD2 3.73Å; H186-H266 AromaticContact CE1-CE1 3.96Å; H186-H266 AromaticContact CE1-NE2 3.36Å; H186-H266 PolarHBondContact CE1-NE2 2.69Å; H186-H266 PolarHBondContact N-O 3.31Å; H186-H266 PolarHBondContact ND1-O 3.35Å; H186-H266 AromaticContact NE2-CE1 3.79Å; H186-H266 AromaticContact NE2-NE2 3.44Å; H186-H266 PolarHBondContact NE2-NE2 2.73Å; H186-H266 PolarHBondContact O-N 3.37Å
187A97.2Very high97.8Very high21 Ų2120.5 Ų20.517%0.17411%0.111CC..  trans-110.3156.6157.200000109
188D97.3Very high97.8Very high17 Ų1720.5 Ų20.59%0.09111%0.111CC..  trans-60.2150.7177.8-77.4-59.8000113.1R191 S194 H266 N280D188-R191 VanDerWaalsContact O-CA 3.3Å; D188-R191 WeakPolarHBondContact O-CA 3.37Å; D188-R191 PolarHBondContact O-N 3.37Å; D188-S194 VanDerWaalsContact CG-CB 3.49Å; D188-S194 WeakPolarHBondContact OD2-CB 3.48Å; D188-H266 IonicContact OD2-CE1 2.95Å; D188-H266 PolarHBondContact OD2-CE1 3.4Å; D188-N280 WeakPolarHBondContact CB-ND2 3.49Å; D188-N280 PolarHBondContact OD1-ND2 3.14Å
189V94.4Very high97.8Very high53 Ų5320.6 Ų20.632%0.32111%0.111SC..G310 helixtrans-48.7140.3176.665.20000111.5Y171 R191 S192 N280Y171-V189 HydrophobicContact CD1-CG1 3.59Å; Y171-V189 HydrophobicContact CE1-CB 4.2Å; Y171-V189 HydrophobicContact CE1-CG1 3.41Å; Y171-V189 VanDerWaalsContact CE1-CG1 3.41Å; Y171-V189 HydrophobicContact CE1-CG2 3.94Å; V189-R191 PolarHBondContact O-N 3.45Å; V189-S192 WeakPolarHBondContact O-CB 3.29Å; V189-S192 PolarHBondContact O-N 3.35Å; V189-S192 PolarHBondContact O-OG 3.17Å; V189-N280 HydrophobicContact CG1-CB 4.11Å
190F96.9Very high97.8Very high2 Ų215.7 Ų15.71%0.0099%0.09CC..G310 helixtrans57.112-175.4-54.5-51.9000115.5L159 Y171 S192 L282 M290 F293 L294 S327 I329L159-F190 HydrophobicContact CD1-CD2 4.08Å; L159-F190 HydrophobicContact CD1-CE2 4.01Å; L159-F190 HydrophobicContact CD2-CD2 4.22Å; Y171-F190 HydrophobicContact CE1-CE2 4.19Å; Y171-F190 AromaticContact CZ-CE2 3.84Å; Y171-F190 WeakPolarHBondContact OH-CE2 3.41Å; F190-S192 PolarHBondContact O-N 3.26Å; F190-L282 HydrophobicContact CB-CD1 4.3Å; F190-M290 HydrophobicContact CB-CE 4.09Å; F190-M290 HydrophobicContact CB-CG 4.05Å; F190-M290 HydrophobicContact CB-SD 4.42Å; F190-M290 HydrophobicContact CD1-CE 3.68Å; F190-M290 HydrophobicContact CD2-CE 4.05Å; F190-M290 HydrophobicContact CE1-CE 4.09Å; F190-M290 HydrophobicContact CE2-CE 4.44Å; F190-M290 HydrophobicContact CG-CE 3.67Å; F190-M290 HydrophobicContact CZ-CE 4.47Å; F190-F293 HydrophobicContact CD1-CD1 4.31Å; F190-F293 AromaticContact CD1-CE1 3.95Å; F190-F293 HydrophobicContact CD1-CE1 3.95Å; F190-L294 HydrophobicContact CD1-CD2 4.5Å; F190-S327 WeakPolarHBondContact CE1-O 3.44Å; F190-S327 WeakPolarHBondContact CZ-O 3.24Å; F190-I329 HydrophobicContact CE1-CD1 4.19Å; F190-I329 HydrophobicContact CE1-CG1 3.85Å; F190-I329 HydrophobicContact CZ-CD1 4.4Å; F190-I329 HydrophobicContact CZ-CG1 4.16Å; F190-I329 HydrophobicContact CZ-CG2 4.18Å
191R96.9Very high97.8Very high64 Ų6414 Ų1424%0.2427%0.073CC..G310 helixtrans54.435.1-165-49.2-62-179.5164.6-3.9111D188 V189 S262 H265 I289 F293D188-R191 VanDerWaalsContact O-CA 3.3Å; D188-R191 WeakPolarHBondContact O-CA 3.37Å; D188-R191 PolarHBondContact O-N 3.37Å; V189-R191 PolarHBondContact O-N 3.45Å; R191-S262 WeakPolarHBondContact O-CA 3.38Å; R191-S262 VanDerWaalsContact O-CB 3.26Å; R191-S262 WeakPolarHBondContact O-CB 3.49Å; R191-S262 PolarHBondContact O-OG 2.72Å; R191-H265 PolarHBondContact NH1-CE1 3.32Å; R191-H265 PolarHBondContact NH1-NE2 3.11Å; R191-I289 HydrophobicContact CB-CG2 3.66Å; R191-I289 HydrophobicContact CG-CG2 4.23Å; R191-F293 HydrophobicContact CG-CB 4.05Å; R191-F293 HydrophobicContact CG-CD2 4.1Å; R191-F293 HydrophobicContact CG-CG 4.17Å
192S98.2Very high97.8Very high0 Ų018 Ų180%09%0.087CC..  trans-62.3169.3-177.775.90000111.7V189 F190 S262 N280 W281V189-S192 WeakPolarHBondContact O-CB 3.29Å; V189-S192 PolarHBondContact O-N 3.35Å; V189-S192 PolarHBondContact O-OG 3.17Å; F190-S192 PolarHBondContact O-N 3.26Å; S192-S262 WeakPolarHBondContact O-CA 3.38Å; S192-N280 WeakPolarHBondContact OG-CB 3.32Å; S192-N280 PolarHBondContact OG-ND2 3.22Å; S192-N280 VanDerWaalsContact OG-ND2 3.07Å; S192-W281 WeakPolarHBondContact CB-O 3.45Å
193Y98.4Very high97.9Very high2 Ų216.7 Ų16.71%0.0088%0.083CC..EExtended strand (participates in β ladder)trans-67.6156.1154-71.1-40.8000110.4L46 N49 F259 P261 S262 N280 W281 C285 N286L46-Y193 HydrophobicContact CD2-CD2 4.13Å; L46-Y193 HydrophobicContact CD2-CE2 3.92Å; L46-Y193 PolarHBondContact O-OH 3.05Å; N49-Y193 VanDerWaalsContact OD1-CE1 3.23Å; N49-Y193 WeakPolarHBondContact OD1-CE1 3.42Å; Y193-F259 AromaticContact CD1-CE2 3.55Å; Y193-F259 HydrophobicContact CD1-CE2 3.55Å; Y193-F259 AromaticContact CD1-CZ 3.58Å; Y193-F259 HydrophobicContact CD1-CZ 3.58Å; Y193-F259 HydrophobicContact CD2-CE2 4.49Å; Y193-F259 HydrophobicContact CE1-CE2 4.17Å; Y193-F259 AromaticContact CE1-CZ 3.71Å; Y193-F259 HydrophobicContact CE1-CZ 3.71Å; Y193-F259 AromaticContact CG-CE2 3.77Å; Y193-F259 HydrophobicContact CG-CE2 3.77Å; Y193-F259 HydrophobicContact CG-CZ 4.11Å; Y193-P261 HydrophobicContact CD1-CB 4.46Å; Y193-P261 HydrophobicContact CE1-CB 4.25Å; Y193-S262 VanDerWaalsContact CE1-N 3.32Å; Y193-N280 CarbonylContact O-C 3.45Å; Y193-N280 VanDerWaalsContact O-CA 3.31Å; Y193-N280 WeakPolarHBondContact O-CA 3.34Å; Y193-W281 VanDerWaalsContact CB-CD2 3.48Å; Y193-W281 VanDerWaalsContact CB-CE2 3.42Å; Y193-W281 WeakPolarHBondContact CB-O 3.26Å; Y193-W281 HydrophobicContact CD2-CD2 4.48Å; Y193-W281 AromaticContact CD2-CE2 3.74Å; Y193-W281 AromaticContact CD2-CZ2 3.94Å; Y193-W281 HydrophobicContact CD2-CZ2 3.94Å; Y193-W281 AromaticContact CD2-NE1 3.59Å; Y193-W281 HydrophobicContact CG-CD2 4.43Å; Y193-W281 AromaticContact CG-CE2 3.93Å; Y193-W281 HydrophobicContact CG-CH2 4.4Å; Y193-W281 AromaticContact CG-CZ2 3.93Å; Y193-W281 HydrophobicContact CG-CZ2 3.93Å; Y193-W281 PolarHBondContact N-O 3.13Å; Y193-W281 PolarHBondContact O-N 3.14Å; Y193-C285 HydrophobicContact CE2-CB 4.23Å; Y193-N286 WeakPolarHBondContact CD2-ND2 3.36Å; Y193-N286 HydrophobicContact CE1-CB 4.49Å; Y193-N286 HydrophobicContact CE2-CB 4.09Å; Y193-N286 VanDerWaalsContact CE2-ND2 3.29Å; Y193-N286 WeakPolarHBondContact CE2-ND2 3.44Å; Y193-N286 VanDerWaalsContact CG-ND2 3.28Å; Y193-N286 PolarHBondContact N-ND2 3.29Å
194S98.2Very high97.9Very high3 Ų318.3 Ų18.32%0.0219%0.088CC..EExtended strand (participates in β ladder)trans-142.1148.9169.7179.90000111.9D188 V260 H279D188-S194 VanDerWaalsContact CG-CB 3.49Å; D188-S194 WeakPolarHBondContact OD2-CB 3.48Å; S194-V260 PolarHBondContact N-O 3.31Å; S194-V260 PolarHBondContact O-N 3.01Å; S194-H279 CarbonylContact C-O 3.47Å; S194-H279 WeakPolarHBondContact CA-O 3.22Å; S194-H279 PolarHBondContact OG-O 3.27Å
195W98.5Very high97.9Very high0 Ų018.1 Ų18.10%09%0.086CC..EExtended strand (participates in β ladder)trans-134.8140.5172.368.8-103.8000108.6W62 Y148 T150 F154 A197 I257 I258 I277 N278 H279 W281W62-W195 AromaticContact CH2-CH2 3.8Å; W62-W195 HydrophobicContact CH2-CH2 3.8Å; W62-W195 AromaticContact CH2-CZ3 3.77Å; W62-W195 HydrophobicContact CH2-CZ3 3.77Å; W62-W195 HydrophobicContact CZ3-CH2 4.49Å; W62-W195 HydrophobicContact CZ3-CZ3 4.35Å; Y148-W195 HydrophobicContact CD2-CH2 4.02Å; Y148-W195 AromaticContact CE2-CH2 3.85Å; Y148-W195 HydrophobicContact CE2-CH2 3.85Å; Y148-W195 HydrophobicContact CE2-CZ2 4.1Å; T150-W195 HydrophobicContact CG2-CZ2 4.36Å; F154-W195 VanDerWaalsContact CB-CD1 3.4Å; F154-W195 HydrophobicContact CB-CG 4.4Å; F154-W195 HydrophobicContact CD1-CB 4.41Å; F154-W195 AromaticContact CD1-CD1 3.89Å; F154-W195 HydrophobicContact CD1-CG 4.32Å; F154-W195 HydrophobicContact CD2-CB 4.28Å; F154-W195 AromaticContact CD2-CD1 3.44Å; F154-W195 VanDerWaalsContact CD2-CD1 3.44Å; F154-W195 AromaticContact CD2-CD2 3.87Å; F154-W195 HydrophobicContact CD2-CD2 3.87Å; F154-W195 AromaticContact CD2-CE2 3.86Å; F154-W195 AromaticContact CD2-CG 3.65Å; F154-W195 HydrophobicContact CD2-CG 3.65Å; F154-W195 AromaticContact CD2-NE1 3.58Å; F154-W195 HydrophobicContact CE1-CB 4.24Å; F154-W195 HydrophobicContact CE2-CB 4.13Å; F154-W195 HydrophobicContact CE2-CD2 4.15Å; F154-W195 AromaticContact CE2-CG 3.91Å; F154-W195 HydrophobicContact CE2-CG 3.91Å; F154-W195 HydrophobicContact CG-CB 4.43Å; F154-W195 AromaticContact CG-CD1 3.29Å; F154-W195 HydrophobicContact CG-CD2 4.49Å; F154-W195 AromaticContact CG-CG 3.87Å; F154-W195 HydrophobicContact CG-CG 3.87Å; F154-W195 AromaticContact CG-NE1 3.64Å; F154-W195 HydrophobicContact CZ-CB 4.1Å; F154-W195 HydrophobicContact CZ-CG 4.34Å; W195-A197 HydrophobicContact CE3-CB 4.15Å; W195-A197 HydrophobicContact CZ3-CB 3.64Å; W195-I257 HydrophobicContact CB-CG2 4.16Å; W195-I257 HydrophobicContact CD2-CG2 4.43Å; W195-I257 HydrophobicContact CE3-CG2 3.82Å; W195-I258 WeakPolarHBondContact CA-O 3.35Å; W195-I277 HydrophobicContact CH2-CG2 3.87Å; W195-I277 HydrophobicContact CZ3-CB 4.46Å; W195-I277 HydrophobicContact CZ3-CG2 4.13Å; W195-N278 VanDerWaalsContact O-CA 3.27Å; W195-N278 WeakPolarHBondContact O-CA 3.28Å; W195-H279 HydrophobicContact CD2-CB 4.23Å; W195-H279 AromaticContact CE2-CD2 3.68Å; W195-H279 AromaticContact CE2-CG 3.55Å; W195-H279 HydrophobicContact CG-CB 4.32Å; W195-H279 AromaticContact CH2-CD2 3.66Å; W195-H279 AromaticContact CH2-NE2 3.89Å; W195-H279 HydrophobicContact CZ2-CB 4.1Å; W195-H279 AromaticContact CZ2-CD2 3.18Å; W195-H279 WeakPolarHBondContact CZ2-CD2 3.34Å; W195-H279 AromaticContact CZ2-CE1 3.82Å; W195-H279 AromaticContact CZ2-CG 3.48Å; W195-H279 VanDerWaalsContact CZ2-CG 3.48Å; W195-H279 AromaticContact CZ2-ND1 3.87Å; W195-H279 AromaticContact CZ2-NE2 3.41Å; W195-H279 WeakPolarHBondContact CZ2-NE2 3.4Å; W195-H279 PolarHBondContact N-O 3.31Å; W195-H279 VanDerWaalsContact NE1-CB 3.33Å; W195-H279 AromaticContact NE1-CG 3.53Å; W195-H279 AromaticContact NE1-ND1 3.88Å; W195-H279 PolarHBondContact O-N 3.39Å; W195-W281 HydrophobicContact CB-CH2 4.15Å; W195-W281 HydrophobicContact CB-CZ3 3.76Å; W195-W281 AromaticContact CD1-CE3 3.66Å; W195-W281 AromaticContact CD1-CH2 3.86Å; W195-W281 AromaticContact CD1-CZ3 3.25Å; W195-W281 HydrophobicContact CG-CH2 4.43Å; W195-W281 AromaticContact CG-CZ3 3.87Å; W195-W281 HydrophobicContact CG-CZ3 3.87Å
196S98.6Very high97.9Very high0 Ų017.9 Ų17.90%09%0.085CC..EExtended strand (participates in β ladder)trans-128.8113.8-179.6172.50000108.8Q252 I257 I258 I277 N278S196-Q252 PolarHBondContact O-NE2 2.81Å; S196-I257 WeakPolarHBondContact O-CA 3.35Å; S196-I258 PolarHBondContact N-O 2.82Å; S196-I258 PolarHBondContact O-N 3.15Å; S196-I277 CarbonylContact C-O 3.51Å; S196-I277 WeakPolarHBondContact CA-O 3.26Å; S196-N278 VanDerWaalsContact CB-ND2 3.29Å; S196-N278 WeakPolarHBondContact CB-ND2 3.35Å; S196-N278 PolarHBondContact OG-ND2 3.4Å; S196-N278 PolarHBondContact OG-OD1 2.92Å
197A98.7Very high97.9Very high0 Ų015 Ų150%07%0.072CC..EExtended strand (participates in β ladder)trans-92.3116.9169.300000109.6T59 W62 W195 I199 E256 I257 S276 I277T59-A197 HydrophobicContact CG2-CB 4.18Å; W62-A197 HydrophobicContact CH2-CB 3.7Å; W62-A197 HydrophobicContact CZ3-CB 3.44Å; W62-A197 VanDerWaalsContact CZ3-CB 3.44Å; W195-A197 HydrophobicContact CE3-CB 4.15Å; W195-A197 HydrophobicContact CZ3-CB 3.64Å; A197-I199 HydrophobicContact CB-CD1 4.33Å; A197-I199 PolarHBondContact O-N 2.98Å; A197-E256 WeakPolarHBondContact CA-O 3.11Å; A197-I257 HydrophobicContact CB-CG1 3.94Å; A197-I257 HydrophobicContact CB-CG2 4.43Å; A197-S276 CarbonylContact O-C 3.44Å; A197-S276 WeakPolarHBondContact O-CA 3.34Å; A197-S276 VanDerWaalsContact O-CB 3.28Å; A197-S276 WeakPolarHBondContact O-CB 3.37Å; A197-I277 PolarHBondContact N-O 3.38Å; A197-I277 PolarHBondContact O-N 3.13Å
198N98.6Very high97.9Very high0 Ų014.3 Ų14.30%07%0.065CC..EExtended strand (participates in β ladder)trans-83.5104.2179.5-173.242.6000109.2C200 G201 Q252 E253 G255 E256 T274N198-C200 PolarHBondContact OD1-O 3.4Å; N198-C200 VanDerWaalsContact OD1-O 3.05Å; N198-G201 PolarHBondContact ND2-O 3.03Å; N198-Q252 HydrophobicContact CB-CG 3.78Å; N198-Q252 PolarHBondContact ND2-O 3.11Å; N198-E253 PolarHBondContact ND2-O 2.86Å; N198-E253 VanDerWaalsContact ND2-O 3.13Å; N198-G255 VanDerWaalsContact O-CA 3.23Å; N198-G255 WeakPolarHBondContact O-CA 3.27Å; N198-G255 PolarHBondContact O-N 3.42Å; N198-E256 PolarHBondContact N-O 2.96Å; N198-T274 WeakPolarHBondContact OD1-CG2 3.49Å
199I98.6Very high97.7Very high1 Ų113.6 Ų13.61%0.0056%0.061CC..EExtended strand (participates in β ladder)trans-71.9-41.1-173.5-56-49.5000110.8W62 C64 R65 V69 A197 I275 I277W62-I199 HydrophobicContact CE3-CD1 3.9Å; W62-I199 HydrophobicContact CZ3-CD1 4.02Å; C64-I199 HydrophobicContact CB-CG2 4.29Å; R65-I199 WeakPolarHBondContact CD-O 3.37Å; R65-I199 PolarHBondContact NE-O 3.47Å; V69-I199 HydrophobicContact CG2-CG2 3.7Å; A197-I199 HydrophobicContact CB-CD1 4.33Å; A197-I199 PolarHBondContact O-N 2.98Å; I199-I275 WeakPolarHBondContact CA-O 3.46Å; I199-I275 HydrophobicContact CB-CB 4.3Å; I199-I275 HydrophobicContact CB-CG2 4.27Å; I199-I275 WeakPolarHBondContact CB-O 3.41Å; I199-I275 HydrophobicContact CG1-CG2 4.43Å; I199-I275 PolarHBondContact N-O 3.48Å; I199-I277 HydrophobicContact CD1-CD1 4.01Å; I199-I277 HydrophobicContact CD1-CG1 4.13Å; I199-I277 HydrophobicContact CG1-CD1 4.24Å; I199-I277 HydrophobicContact CG1-CG1 4.01Å
200C98.3Very high97.7Very high0 Ų012.7 Ų12.70%06%0.057CC..EExtended strand (participates in β ladder)trans-151.2166.6171.668.50000111.8V69 N198 T274 I275V69-C200 HydrophobicContact CG1-CB 3.89Å; V69-C200 HydrophobicContact CG2-CB 3.86Å; N198-C200 PolarHBondContact OD1-O 3.4Å; N198-C200 VanDerWaalsContact OD1-O 3.05Å; C200-T274 WeakPolarHBondContact O-CA 3.46Å; C200-T274 PolarHBondContact O-OG1 2.61Å; C200-I275 PolarHBondContact N-O 3.24Å; C200-I275 PolarHBondContact O-N 3.15Å
201G98.2Very high97.5Very high5 Ų514.1 Ų14.15%0.0527%0.072CC..SBendtrans76.9-160.3-175.800000112.6N198 A254 D273 T274N198-G201 PolarHBondContact ND2-O 3.03Å; G201-A254 PolarHBondContact O-N 3.34Å; G201-D273 WeakPolarHBondContact CA-O 3.2Å; G201-T274 WeakPolarHBondContact CA-OG1 3.12Å
202R98.6Very high97.4Very high82 Ų8211.7 Ų11.731%0.3096%0.063SC..  trans-141.9136.5-172.7-61.1178.570.3-146.90.8110.2Q252 E253 L271 E272 T274R202-Q252 WeakPolarHBondContact CA-O 3.33Å; R202-E253 WeakPolarHBondContact CD-OE2 3.4Å; R202-E253 VanDerWaalsContact CG-OE2 3.31Å; R202-E253 WeakPolarHBondContact CG-OE2 3.34Å; R202-E253 IonicContact CZ-OE1 3.11Å; R202-E253 VanDerWaalsContact CZ-OE1 3.3Å; R202-E253 IonicContact CZ-OE2 3.34Å; R202-E253 VanDerWaalsContact NE-CD 3.32Å; R202-E253 IonicContact NE-OE1 2.92Å; R202-E253 PolarHBondContact NE-OE1 2.94Å; R202-E253 IonicContact NE-OE2 2.72Å; R202-E253 PolarHBondContact NE-OE2 3.06Å; R202-E253 IonicContact NH2-OE1 2.61Å; R202-E253 PolarHBondContact NH2-OE1 2.93Å; R202-L271 HydrophobicContact CB-CB 4.18Å; R202-L271 PolarHBondContact O-N 3.48Å; R202-E272 HydrophobicContact CB-CG 4.3Å; R202-E272 WeakPolarHBondContact CD-OE1 3.41Å; R202-E272 HydrophobicContact CG-CG 4.26Å; R202-T274 PolarHBondContact N-OG1 2.88Å
203K98.7Very high97.2Very high2 Ų212.7 Ų12.71%0.0097%0.068CC..EExtended strand (participates in β ladder)trans-118.3142.3177.5-60.4-167.6175.7-172.40111.7W205 I251 Q252 V268 Y269 N270 T274 S276K203-W205 HydrophobicContact CD-CZ2 4.2Å; K203-I251 CarbonylContact O-C 3.59Å; K203-I251 WeakPolarHBondContact O-CA 3.21Å; K203-Q252 HydrophobicContact CB-CB 4.29Å; K203-Q252 PolarHBondContact N-O 3.16Å; K203-Q252 PolarHBondContact O-N 3.2Å; K203-V268 HydrophobicContact CB-CG1 4.25Å; K203-V268 HydrophobicContact CD-CG1 3.97Å; K203-Y269 CarbonylContact C-O 3.54Å; K203-Y269 VanDerWaalsContact CA-O 3.25Å; K203-Y269 WeakPolarHBondContact CA-O 3.44Å; K203-N270 VanDerWaalsContact CE-OD1 3.26Å; K203-N270 WeakPolarHBondContact CE-OD1 3.34Å; K203-N270 WeakPolarHBondContact CG-OD1 3.36Å; K203-T274 HydrophobicContact CD-CG2 4.35Å; K203-T274 HydrophobicContact CG-CG2 4.12Å; K203-S276 VanDerWaalsContact NZ-CB 3.31Å; K203-S276 PolarHBondContact NZ-OG 2.91Å
204K98.6Very high97.1Very high52 Ų5216.2 Ų16.223%0.2269%0.087CC..EExtended strand (participates in β ladder)trans-105.1124.7165.4172.2170.3169.71530108.7E249 I250 I251 V268 Y269 L271K204-E249 VanDerWaalsContact CE-OE1 3.24Å; K204-E249 WeakPolarHBondContact CE-OE1 3.44Å; K204-E249 VanDerWaalsContact CE-OE2 3.28Å; K204-E249 WeakPolarHBondContact CE-OE2 3.34Å; K204-E249 HydrophobicContact CG-CG 4.42Å; K204-E249 IonicContact NZ-OE1 3.84Å; K204-E249 PolarHBondContact NZ-OE1 2.98Å; K204-E249 IonicContact NZ-OE2 3.28Å; K204-E249 PolarHBondContact NZ-OE2 3.04Å; K204-I250 CarbonylContact C-O 3.53Å; K204-I250 WeakPolarHBondContact CA-O 3.18Å; K204-I251 HydrophobicContact CB-CD1 3.8Å; K204-I251 HydrophobicContact CD-CD1 4.33Å; K204-I251 HydrophobicContact CG-CD1 4.01Å; K204-V268 CarbonylContact O-C 3.6Å; K204-V268 WeakPolarHBondContact O-CA 3.33Å; K204-Y269 PolarHBondContact N-O 2.91Å; K204-Y269 PolarHBondContact O-N 2.64Å; K204-L271 HydrophobicContact CB-CD1 4.03Å; K204-L271 HydrophobicContact CB-CD2 3.99Å; K204-L271 HydrophobicContact CB-CG 4.06Å
205W98.4Very high97Very high4 Ų418.6 Ų18.62%0.01510%0.097CC..EExtended strand (participates in β ladder)trans-110.1139.7175.5-60.275.7000110.1K203 L207 E249 I250 I258 V260 H266 Q267 V268K203-W205 HydrophobicContact CD-CZ2 4.2Å; W205-L207 HydrophobicContact CB-CD1 3.37Å; W205-L207 HydrophobicContact CE3-CD1 4.23Å; W205-L207 HydrophobicContact CG-CD1 4.27Å; W205-E249 WeakPolarHBondContact O-CA 3.29Å; W205-I250 HydrophobicContact CB-CB 4.25Å; W205-I250 PolarHBondContact N-O 3.36Å; W205-I250 PolarHBondContact O-N 3.15Å; W205-I258 HydrophobicContact CD2-CD1 3.97Å; W205-I258 HydrophobicContact CD2-CG2 4.38Å; W205-I258 HydrophobicContact CE3-CD1 4.23Å; W205-I258 HydrophobicContact CG-CD1 4.07Å; W205-I258 HydrophobicContact CH2-CG2 4.02Å; W205-I258 HydrophobicContact CZ2-CG2 3.59Å; W205-V260 HydrophobicContact CE3-CG2 4.41Å; W205-V260 HydrophobicContact CH2-CG2 4.48Å; W205-V260 HydrophobicContact CZ3-CG2 3.92Å; W205-H266 AromaticContact CE3-CD2 3.9Å; W205-H266 AromaticContact CZ3-CD2 3.58Å; W205-H266 AromaticContact CZ3-NE2 3.87Å; W205-Q267 WeakPolarHBondContact CA-O 3.19Å; W205-V268 HydrophobicContact CD2-CB 4.47Å; W205-V268 HydrophobicContact CD2-CG1 3.9Å; W205-V268 HydrophobicContact CD2-CG2 3.81Å; W205-V268 HydrophobicContact CE3-CB 4.44Å; W205-V268 HydrophobicContact CE3-CG1 4.29Å; W205-V268 HydrophobicContact CE3-CG2 3.34Å; W205-V268 HydrophobicContact CG-CG1 4.3Å; W205-V268 HydrophobicContact CH2-CG1 4.4Å; W205-V268 HydrophobicContact CH2-CG2 3.91Å; W205-V268 HydrophobicContact CZ2-CG1 4.03Å; W205-V268 HydrophobicContact CZ2-CG2 4.34Å; W205-V268 HydrophobicContact CZ3-CG2 3.41Å; W205-V268 VanDerWaalsContact CZ3-CG2 3.41Å
206L97.8Very high96.9Very high6 Ų618.6 Ų18.63%0.03110%0.097CC..EExtended strand (participates in β ladder)trans-118.1107.9170-59.7177000107.2V227 T228 P247 E249 H266 Q267 Y269L206-V227 HydrophobicContact CB-CG2 4.46Å; L206-V227 HydrophobicContact CD1-CG2 3.92Å; L206-T228 HydrophobicContact CD1-CG2 3.5Å; L206-T228 VanDerWaalsContact CD1-CG2 3.5Å; L206-P247 HydrophobicContact CB-CB 4.01Å; L206-P247 HydrophobicContact CB-CG 4.47Å; L206-P247 HydrophobicContact CD2-CB 4.33Å; L206-P247 HydrophobicContact CD2-CG 4.12Å; L206-E249 HydrophobicContact CD2-CB 4.14Å; L206-E249 HydrophobicContact CD2-CG 4.09Å; L206-H266 CarbonylContact O-C 3.58Å; L206-H266 WeakPolarHBondContact O-CA 2.87Å; L206-H266 WeakPolarHBondContact O-CB 3.1Å; L206-Q267 HydrophobicContact CB-CB 4.4Å; L206-Q267 PolarHBondContact N-O 2.97Å; L206-Q267 PolarHBondContact O-N 3Å; L206-Y269 HydrophobicContact CD1-CE2 4.2Å
207L97.3Very high96.8Very high0 Ų022.2 Ų22.20%011%0.11CC..EExtended strand (participates in β ladder)trans-109.6131-175.6-80.476.9000110.9P51 W205 P247 L248 I250 I258 W264 H266P51-L207 HydrophobicContact CB-CD2 4.41Å; W205-L207 HydrophobicContact CB-CD1 3.37Å; W205-L207 HydrophobicContact CE3-CD1 4.23Å; W205-L207 HydrophobicContact CG-CD1 4.27Å; L207-P247 WeakPolarHBondContact O-CA 3.09Å; L207-L248 HydrophobicContact CB-CB 4.12Å; L207-L248 HydrophobicContact CB-CD2 4.49Å; L207-L248 PolarHBondContact N-O 2.92Å; L207-L248 PolarHBondContact O-N 3.24Å; L207-I250 HydrophobicContact CD1-CD1 3.9Å; L207-I250 HydrophobicContact CD2-CD1 4.31Å; L207-I258 HydrophobicContact CD1-CD1 4.24Å; L207-I258 HydrophobicContact CD2-CD1 4.32Å; L207-W264 HydrophobicContact CB-CE3 4.02Å; L207-W264 HydrophobicContact CB-CZ3 4.37Å; L207-W264 HydrophobicContact CD2-CE3 4.22Å; L207-H266 HydrophobicContact CD1-CB 4.37Å; L207-H266 HydrophobicContact CG-CB 3.99Å
208Y95.9Very high96.7Very high8 Ų823.5 Ų23.53%0.03112%0.117CC..EExtended strand (participates in β ladder)trans-109.2128.7172.2-75.7-94.8000110F185 Q212 L216 V227 C245 P247 H265F185-Y208 AromaticContact CE2-CD2 3.54Å; F185-Y208 HydrophobicContact CE2-CD2 3.54Å; F185-Y208 HydrophobicContact CE2-CE2 4.13Å; F185-Y208 HydrophobicContact CE2-CG 4.27Å; F185-Y208 AromaticContact CZ-CD2 3.9Å; F185-Y208 HydrophobicContact CZ-CD2 3.9Å; F185-Y208 HydrophobicContact CZ-CE2 4.48Å; F185-Y208 HydrophobicContact CZ-CG 4.25Å; Y208-Q212 HydrophobicContact CD1-CB 4.04Å; Y208-L216 HydrophobicContact CD1-CD1 3.94Å; Y208-L216 HydrophobicContact CD2-CD1 4.27Å; Y208-L216 HydrophobicContact CE1-CD1 3.82Å; Y208-L216 HydrophobicContact CE1-CD2 4.36Å; Y208-L216 HydrophobicContact CE2-CD1 4.13Å; Y208-L216 HydrophobicContact CG-CD1 4.15Å; Y208-V227 HydrophobicContact CE2-CB 4.17Å; Y208-V227 HydrophobicContact CE2-CG1 4.14Å; Y208-V227 HydrophobicContact CE2-CG2 4.21Å; Y208-C245 VanDerWaalsContact CE1-O 3.29Å; Y208-C245 WeakPolarHBondContact CE1-O 3.2Å; Y208-P247 HydrophobicContact CD2-CB 4.02Å; Y208-P247 HydrophobicContact CE1-CB 4.33Å; Y208-P247 HydrophobicContact CE2-CB 3.54Å; Y208-P247 HydrophobicContact CE2-CG 4.11Å; Y208-P247 WeakPolarHBondContact OH-CD 3.33Å; Y208-H265 PolarHBondContact N-O 3.02Å; Y208-H265 PolarHBondContact O-N 2.89Å
209P94.1Very high96.6Very high1 Ų127.4 Ų27.41%0.00614%0.141CC..  trans-59.7148172.8-21.430.7000112.1Y20 F23 G211 Q212 W264Y20-P209 HydrophobicContact CD1-CB 4.48Å; Y20-P209 HydrophobicContact CD2-CB 4.1Å; Y20-P209 HydrophobicContact CG-CB 3.82Å; F23-P209 HydrophobicContact CB-CG 3.91Å; P209-G211 PolarHBondContact O-N 2.92Å; P209-Q212 HydrophobicContact CB-CG 4.33Å; P209-Q212 HydrophobicContact CG-CG 4.47Å; P209-Q212 VanDerWaalsContact O-CB 3.28Å; P209-Q212 WeakPolarHBondContact O-CB 3.43Å; P209-Q212 WeakPolarHBondContact O-CG 3.37Å; P209-Q212 PolarHBondContact O-N 2.84Å; P209-W264 HydrophobicContact CB-CE3 4.48Å; P209-W264 HydrophobicContact CB-CH2 4.01Å; P209-W264 HydrophobicContact CB-CZ2 4.21Å; P209-W264 HydrophobicContact CB-CZ3 4.15Å; P209-W264 HydrophobicContact CG-CE3 4.43Å; P209-W264 HydrophobicContact CG-CH2 3.81Å; P209-W264 HydrophobicContact CG-CZ2 4.49Å; P209-W264 HydrophobicContact CG-CZ3 3.76Å
210P93.8Very high96.4Very high35 Ų3534.3 Ų34.323%0.22717%0.173CC..THydrogen-bonded Turntrans-52.8134.6177.7-24.930.9000112.6Y20 W264Y20-P210 HydrophobicContact CE2-CB 4.01Å; Y20-P210 HydrophobicContact CE2-CG 3.86Å; P210-W264 VanDerWaalsContact CD-CD1 3.47Å; P210-W264 HydrophobicContact CG-CG 4.27Å
211G92.7Very high96.1Very high31 Ų3136 Ų3632%0.3219%0.191SC..THydrogen-bonded Turntrans93-17.8-174.500000114.1P209 E213P209-G211 PolarHBondContact O-N 2.92Å; G211-E213 VanDerWaalsContact C-N 3.32Å; G211-E213 WeakPolarHBondContact CA-OE2 3.21Å; G211-E213 VanDerWaalsContact N-CD 3.33Å; G211-E213 PolarHBondContact N-OE1 3.04Å; G211-E213 PolarHBondContact N-OE2 2.81Å
212Q94.8Very high95.9Very high13 Ų1339.3 Ų39.36%0.06121%0.207CC..G310 helixtrans-75.6-24.4176.6-66.2-65.5-54.400112.4Y208 P209 D214 F215Y208-Q212 HydrophobicContact CD1-CB 4.04Å; P209-Q212 HydrophobicContact CB-CG 4.33Å; P209-Q212 HydrophobicContact CG-CG 4.47Å; P209-Q212 VanDerWaalsContact O-CB 3.28Å; P209-Q212 WeakPolarHBondContact O-CB 3.43Å; P209-Q212 WeakPolarHBondContact O-CG 3.37Å; P209-Q212 PolarHBondContact O-N 2.84Å; Q212-D214 PolarHBondContact O-N 2.89Å; Q212-F215 PolarHBondContact O-N 2.96Å
213E95.2Very high95.8Very high22 Ų2237.2 Ų37.210%0.10320%0.202CC..G310 helixtrans-59.5-26.3174.669.1-86.7-161.500113.4F185 G211 F215 L216 R217 L223 H265F185-E213 HydrophobicContact CE1-CB 4.48Å; G211-E213 VanDerWaalsContact C-N 3.32Å; G211-E213 WeakPolarHBondContact CA-OE2 3.21Å; G211-E213 VanDerWaalsContact N-CD 3.33Å; G211-E213 PolarHBondContact N-OE1 3.04Å; G211-E213 PolarHBondContact N-OE2 2.81Å; E213-F215 VanDerWaalsContact C-N 3.31Å; E213-F215 PolarHBondContact O-N 3.07Å; E213-L216 WeakPolarHBondContact O-CB 3.42Å; E213-L216 PolarHBondContact O-N 3.3Å; E213-R217 PolarHBondContact O-N 3.35Å; E213-L223 HydrophobicContact CB-CD2 3.81Å; E213-L223 HydrophobicContact CG-CD2 4.4Å; E213-L223 WeakPolarHBondContact O-CD2 3.18Å; E213-H265 VanDerWaalsContact CD-ND1 3.31Å; E213-H265 WeakPolarHBondContact CG-CE1 3.29Å; E213-H265 IonicContact OE1-CE1 2.63Å; E213-H265 PolarHBondContact OE1-CE1 3.39Å; E213-H265 IonicContact OE1-ND1 2.67Å; E213-H265 IonicContact OE2-CE1 3.69Å; E213-H265 IonicContact OE2-ND1 3.24Å; E213-H265 PolarHBondContact OE2-ND1 2.55Å
214D95.4Very high95.7Very high75 Ų7537.6 Ų37.640%0.40121%0.205SC..G310 helixtrans-69.9-32.3-177.2-71.6-28.9000111.6Q212 L216 R217Q212-D214 PolarHBondContact O-N 2.89Å; D214-L216 PolarHBondContact O-N 2.79Å; D214-R217 PolarHBondContact O-N 3.37Å; D214-R217 IonicContact OD1-CZ 2.92Å; D214-R217 IonicContact OD1-NE 2.81Å; D214-R217 PolarHBondContact OD1-NE 2.86Å; D214-R217 IonicContact OD1-NH2 3.94Å; D214-R217 PolarHBondContact OD1-NH2 3.33Å
215F96.6Very high95.6Very high54 Ų5436.8 Ų36.824%0.23720%0.201CC..G310 helixtrans-72.9-16.8172.2-57.2-69.5000112.9Q212 E213 Q240 F241 E243 A244Q212-F215 PolarHBondContact O-N 2.96Å; E213-F215 VanDerWaalsContact C-N 3.31Å; E213-F215 PolarHBondContact O-N 3.07Å; F215-Q240 HydrophobicContact CB-CB 4.42Å; F215-Q240 HydrophobicContact CD1-CB 4.21Å; F215-Q240 CarbonylContact O-C 3.58Å; F215-Q240 VanDerWaalsContact O-C 3.29Å; F215-F241 WeakPolarHBondContact O-CA 3.29Å; F215-F241 PolarHBondContact O-N 2.95Å; F215-E243 HydrophobicContact CD1-CB 3.57Å; F215-E243 WeakPolarHBondContact CD1-OE2 3.37Å; F215-E243 HydrophobicContact CE1-CB 3.94Å; F215-E243 WeakPolarHBondContact CE1-OE2 3.28Å; F215-E243 HydrophobicContact CG-CB 4.14Å; F215-A244 HydrophobicContact CB-CB 3.77Å
216L96.8Very high95.5Very high0 Ų038.6 Ų38.60%021%0.21CC..G310 helixtrans-91-4.7178.7-57178.6000112.6F185 Y208 E213 D214 P224 V227 F238 F241 A244F185-L216 HydrophobicContact CE1-CD1 3.77Å; F185-L216 HydrophobicContact CZ-CD1 3.61Å; Y208-L216 HydrophobicContact CD1-CD1 3.94Å; Y208-L216 HydrophobicContact CD2-CD1 4.27Å; Y208-L216 HydrophobicContact CE1-CD1 3.82Å; Y208-L216 HydrophobicContact CE1-CD2 4.36Å; Y208-L216 HydrophobicContact CE2-CD1 4.13Å; Y208-L216 HydrophobicContact CG-CD1 4.15Å; E213-L216 WeakPolarHBondContact O-CB 3.42Å; E213-L216 PolarHBondContact O-N 3.3Å; D214-L216 PolarHBondContact O-N 2.79Å; L216-P224 HydrophobicContact CB-CG 4.22Å; L216-P224 WeakPolarHBondContact O-CD 3.48Å; L216-V227 HydrophobicContact CD1-CG1 4.21Å; L216-F238 WeakPolarHBondContact O-CD1 3.34Å; L216-F238 WeakPolarHBondContact O-CE1 3.09Å; L216-F241 HydrophobicContact CD2-CD2 3.68Å; L216-F241 HydrophobicContact CD2-CE2 3.93Å; L216-A244 HydrophobicContact CD2-CB 3.64Å; L216-A244 HydrophobicContact CG-CB 4.33Å
217R96.6Very high95.4Very high75 Ų7538.8 Ų38.828%0.28321%0.212SC..  trans-70.4143.6-178.8-68.4178.5-172.7-75.3-6.3111.7E213 D214 G221 N222 L223E213-R217 PolarHBondContact O-N 3.35Å; D214-R217 PolarHBondContact O-N 3.37Å; D214-R217 IonicContact OD1-CZ 2.92Å; D214-R217 IonicContact OD1-NE 2.81Å; D214-R217 PolarHBondContact OD1-NE 2.86Å; D214-R217 IonicContact OD1-NH2 3.94Å; D214-R217 PolarHBondContact OD1-NH2 3.33Å; R217-G221 PolarHBondContact NH1-O 3.12Å; R217-N222 CarbonylContact C-O 3.57Å; R217-N222 VanDerWaalsContact CA-O 3.28Å; R217-N222 WeakPolarHBondContact CA-O 3.3Å; R217-L223 HydrophobicContact CG-CD2 3.82Å
218D96.3Very high95.4Very high28 Ų2842.5 Ų42.515%0.1524%0.235CC..  trans-72.9173.3168.672.810.5000111.3H220 G221 N222 L237 F238D218-H220 PolarHBondContact O-N 3.37Å; D218-H220 VanDerWaalsContact OD1-C 3.24Å; D218-H220 VanDerWaalsContact OD1-CA 3.23Å; D218-H220 WeakPolarHBondContact OD1-CA 3.39Å; D218-H220 VanDerWaalsContact OD1-CB 3.3Å; D218-H220 WeakPolarHBondContact OD1-CB 3.35Å; D218-H220 PolarHBondContact OD1-N 2.79Å; D218-H220 IonicContact OD2-CD2 3.09Å; D218-G221 PolarHBondContact O-N 2.9Å; D218-G221 PolarHBondContact OD1-N 2.85Å; D218-N222 PolarHBondContact N-O 3.21Å; D218-N222 PolarHBondContact OD1-N 2.93Å; D218-N222 WeakPolarHBondContact OD2-CB 3.49Å; D218-N222 PolarHBondContact OD2-ND2 2.96Å; D218-L237 CarbonylContact C-O 3.58Å; D218-L237 WeakPolarHBondContact CA-O 3.46Å; D218-L237 HydrophobicContact CB-CD1 3.98Å; D218-L237 HydrophobicContact CB-CG 4.19Å; D218-F238 HydrophobicContact CB-CD1 4.1Å; D218-F238 HydrophobicContact CB-CE1 3.66Å; D218-F238 HydrophobicContact CB-CZ 3.94Å
219T96.2Very high95.4Very high81 Ų8143.8 Ų43.850%0.49725%0.245SC..THydrogen-bonded Turntrans-61-11.6175.752.90000114.7G236 L237 P239T219-G236 VanDerWaalsContact CG2-O 3.29Å; T219-G236 WeakPolarHBondContact CG2-O 3.35Å; T219-L237 PolarHBondContact N-O 2.95Å; T219-P239 HydrophobicContact CG2-CG 4.23Å
220H94.1Very high95.4Very high146 Ų14647.8 Ų47.868%0.67628%0.278SS*.THydrogen-bonded Turntrans-98.1-0.7174.5-56.6-64.2000112.8D218 N222D218-H220 PolarHBondContact O-N 3.37Å; D218-H220 VanDerWaalsContact OD1-C 3.24Å; D218-H220 VanDerWaalsContact OD1-CA 3.23Å; D218-H220 WeakPolarHBondContact OD1-CA 3.39Å; D218-H220 VanDerWaalsContact OD1-CB 3.3Å; D218-H220 WeakPolarHBondContact OD1-CB 3.35Å; D218-H220 PolarHBondContact OD1-N 2.79Å; D218-H220 IonicContact OD2-CD2 3.09Å; H220-N222 WeakPolarHBondContact CB-ND2 3.23Å
221G92.9Very high95.4Very high36 Ų3652.3 Ų52.337%0.37130%0.296SS..SBendtrans84.64.5-178.600000114.6R217 D218R217-G221 PolarHBondContact NH1-O 3.12Å; D218-G221 PolarHBondContact O-N 2.9Å; D218-G221 PolarHBondContact OD1-N 2.85Å
222N94.3Very high95.5Very high75 Ų7551 Ų5140%0.40128%0.282SS..PPolyproline II helixtrans-80.8144.8179.3-54.8-63.5000111.3R217 D218 H220R217-N222 CarbonylContact C-O 3.57Å; R217-N222 VanDerWaalsContact CA-O 3.28Å; R217-N222 WeakPolarHBondContact CA-O 3.3Å; D218-N222 PolarHBondContact N-O 3.21Å; D218-N222 PolarHBondContact OD1-N 2.93Å; D218-N222 WeakPolarHBondContact OD2-CB 3.49Å; D218-N222 PolarHBondContact OD2-ND2 2.96Å; H220-N222 WeakPolarHBondContact CB-ND2 3.23Å
223L95.7Very high95.4Very high38 Ų3856.2 Ų56.220%0.19931%0.306CS..PPolyproline II helixtrans-75.8150.9168.9-67.7174.8000110.8F185 E213 R217F185-L223 HydrophobicContact CD1-CB 4.43Å; F185-L223 HydrophobicContact CE1-CD2 4.34Å; E213-L223 HydrophobicContact CB-CD2 3.81Å; E213-L223 HydrophobicContact CG-CD2 4.4Å; E213-L223 WeakPolarHBondContact O-CD2 3.18Å; R217-L223 HydrophobicContact CG-CD2 3.82Å
224P96.1Very high95.5Very high10 Ų1059.5 Ų59.57%0.06532%0.324CS..PPolyproline II helixtrans-69146.2178.530.7-34.3000109.6F185 L216 V227 L232 F238F185-P224 WeakPolarHBondContact CB-O 3.38Å; F185-P224 HydrophobicContact CD1-CG 3.99Å; F185-P224 HydrophobicContact CE1-CG 4.41Å; L216-P224 HydrophobicContact CB-CG 4.22Å; L216-P224 WeakPolarHBondContact O-CD 3.48Å; P224-V227 HydrophobicContact CG-CG1 3.78Å; P224-L232 HydrophobicContact CB-CD2 3.85Å; P224-L232 HydrophobicContact CG-CD2 4.13Å; P224-F238 HydrophobicContact CB-CE1 4.26Å; P224-F238 HydrophobicContact CB-CZ 4.31Å
225Y96.6Very high95.4Very high35 Ų3563.7 Ų63.714%0.13734%0.335CS..SBendtrans-73.5-39.6174.7178.4-108.5000112A96 K97 N100 N102 W182 P184 F185 Q267A96-Y225 PolarHBondContact O-OH 2.9Å; K97-Y225 HydrophobicContact CB-CE1 4.33Å; K97-Y225 HydrophobicContact CB-CE2 4.34Å; K97-Y225 HydrophobicContact CD-CD1 4Å; K97-Y225 HydrophobicContact CD-CD2 4.03Å; K97-Y225 HydrophobicContact CD-CE1 4.28Å; K97-Y225 HydrophobicContact CD-CE2 4.3Å; K97-Y225 HydrophobicContact CD-CG 3.85Å; K97-Y225 HydrophobicContact CG-CD1 4.47Å; K97-Y225 HydrophobicContact CG-CD2 4.01Å; K97-Y225 HydrophobicContact CG-CE1 4.33Å; K97-Y225 HydrophobicContact CG-CE2 3.85Å; K97-Y225 HydrophobicContact CG-CG 4.3Å; N100-Y225 HydrophobicContact CB-CD2 4.39Å; N100-Y225 VanDerWaalsContact O-CD2 3.32Å; N100-Y225 WeakPolarHBondContact O-CD2 3.33Å; N102-Y225 PolarHBondContact ND2-OH 2.88Å; W182-Y225 AromaticContact CH2-CD1 3.79Å; W182-Y225 HydrophobicContact CH2-CD1 3.79Å; W182-Y225 AromaticContact CH2-CE1 3.39Å; W182-Y225 HydrophobicContact CH2-CE1 3.39Å; W182-Y225 AromaticContact CH2-CZ 3.9Å; W182-Y225 HydrophobicContact CZ2-CD1 4.32Å; W182-Y225 AromaticContact CZ2-CE1 3.51Å; W182-Y225 HydrophobicContact CZ2-CE1 3.51Å; W182-Y225 AromaticContact CZ2-CZ 3.94Å; P184-Y225 HydrophobicContact CB-CD2 3.74Å; P184-Y225 HydrophobicContact CB-CE2 3.61Å; P184-Y225 HydrophobicContact CB-CG 4.46Å; P184-Y225 WeakPolarHBondContact CB-O 3.3Å; P184-Y225 HydrophobicContact CG-CD2 3.89Å; P184-Y225 HydrophobicContact CG-CE1 4.39Å; P184-Y225 HydrophobicContact CG-CE2 3.2Å; F185-Y225 PolarHBondContact N-O 3.09Å; Y225-Q267 PolarHBondContact O-OE1 2.66Å
226D96.9Very high95.4Very high41 Ų4163.9 Ų63.922%0.21935%0.352CS..  trans-127.1112.3177-175.9-11.7000109.5W182 T228 S229 Q267 Y269W182-D226 HydrophobicContact CH2-CB 4.06Å; W182-D226 HydrophobicContact CZ3-CB 4.31Å; D226-T228 PolarHBondContact O-N 3.08Å; D226-T228 VanDerWaalsContact O-N 3.14Å; D226-T228 WeakPolarHBondContact OD1-CA 3.45Å; D226-T228 WeakPolarHBondContact OD1-CB 3.42Å; D226-T228 PolarHBondContact OD1-N 2.89Å; D226-T228 PolarHBondContact OD1-OG1 2.81Å; D226-T228 PolarHBondContact OD2-OG1 2.82Å; D226-S229 VanDerWaalsContact O-CB 3.28Å; D226-S229 WeakPolarHBondContact O-CB 3.21Å; D226-S229 PolarHBondContact O-N 3.09Å; D226-S229 VanDerWaalsContact O-N 3.11Å; D226-Q267 VanDerWaalsContact CA-OE1 3.31Å; D226-Q267 PolarHBondContact OD1-NE2 3.19Å; D226-Y269 PolarHBondContact OD1-OH 3.37Å
227V96.5Very high95.4Very high10 Ų1066.4 Ų66.46%0.06137%0.365CS..THydrogen-bonded Turntrans-69.7-4.5178.9-72.30000114.3F185 L206 Y208 L216 P224 L232 Q267F185-V227 HydrophobicContact CB-CG1 3.79Å; F185-V227 HydrophobicContact CD1-CG1 3.61Å; F185-V227 HydrophobicContact CD2-CB 4.49Å; F185-V227 HydrophobicContact CD2-CG1 3.46Å; F185-V227 VanDerWaalsContact CD2-CG1 3.46Å; F185-V227 HydrophobicContact CD2-CG2 4.23Å; F185-V227 HydrophobicContact CE1-CG1 3.93Å; F185-V227 HydrophobicContact CE2-CG1 3.8Å; F185-V227 HydrophobicContact CG-CG1 3.34Å; F185-V227 HydrophobicContact CZ-CG1 4Å; L206-V227 HydrophobicContact CB-CG2 4.46Å; L206-V227 HydrophobicContact CD1-CG2 3.92Å; Y208-V227 HydrophobicContact CE2-CB 4.17Å; Y208-V227 HydrophobicContact CE2-CG1 4.14Å; Y208-V227 HydrophobicContact CE2-CG2 4.21Å; L216-V227 HydrophobicContact CD1-CG1 4.21Å; P224-V227 HydrophobicContact CG-CG1 3.78Å; V227-L232 WeakPolarHBondContact O-CD1 3.39Å; V227-Q267 HydrophobicContact CG2-CB 3.86Å; V227-Q267 HydrophobicContact CG2-CG 4.33Å; V227-Q267 VanDerWaalsContact N-OE1 3.11Å
228T95.8Very high95.4Very high79 Ų7963.4 Ų63.449%0.48535%0.354SS..THydrogen-bonded Turntrans-103.2-1.1174.972.90000112.9L206 D226 Y269L206-T228 HydrophobicContact CD1-CG2 3.5Å; L206-T228 VanDerWaalsContact CD1-CG2 3.5Å; D226-T228 PolarHBondContact O-N 3.08Å; D226-T228 VanDerWaalsContact O-N 3.14Å; D226-T228 WeakPolarHBondContact OD1-CA 3.45Å; D226-T228 WeakPolarHBondContact OD1-CB 3.42Å; D226-T228 PolarHBondContact OD1-N 2.89Å; D226-T228 PolarHBondContact OD1-OG1 2.81Å; D226-T228 PolarHBondContact OD2-OG1 2.82Å; T228-Y269 PolarHBondContact OG1-OH 3.02Å
229S95.6Very high95.4Very high34 Ų3465.5 Ų65.524%0.23837%0.369CS..  trans-62.4138.8179.6-178.20000111.7D226 E231 L232D226-S229 VanDerWaalsContact O-CB 3.28Å; D226-S229 WeakPolarHBondContact O-CB 3.21Å; D226-S229 PolarHBondContact O-N 3.09Å; D226-S229 VanDerWaalsContact O-N 3.11Å; S229-E231 PolarHBondContact O-N 3.27Å; S229-E231 WeakPolarHBondContact OG-CB 3.45Å; S229-E231 WeakPolarHBondContact OG-CG 3.28Å; S229-E231 PolarHBondContact OG-N 3.18Å; S229-L232 PolarHBondContact O-N 2.75Å
230A94.9Very high95.4Very high86 Ų8665.7 Ų65.771%0.71136%0.364SS*.G310 helixtrans-64-19.117300000112.7L232 Q233A230-L232 PolarHBondContact O-N 3.04Å; A230-Q233 WeakPolarHBondContact O-CB 3.36Å; A230-Q233 PolarHBondContact O-N 3.23Å; A230-Q233 VanDerWaalsContact O-N 3.1Å
231E94.1Very high95.4Very high129 Ų12960.3 Ų60.360%0.60334%0.339SS*.G310 helixtrans-60.1-27.4176.6-67.2175.7164.900112.7S229 Q233 D234 F238S229-E231 PolarHBondContact O-N 3.27Å; S229-E231 WeakPolarHBondContact OG-CB 3.45Å; S229-E231 WeakPolarHBondContact OG-CG 3.28Å; S229-E231 PolarHBondContact OG-N 3.18Å; E231-Q233 PolarHBondContact O-N 3.47Å; E231-Q233 VanDerWaalsContact O-N 3.12Å; E231-D234 VanDerWaalsContact O-CB 3.3Å; E231-D234 WeakPolarHBondContact O-CB 3.23Å; E231-D234 PolarHBondContact O-N 3.38Å; E231-F238 HydrophobicContact CB-CE2 4.47Å; E231-F238 WeakPolarHBondContact O-CD2 3.18Å
232L94.3Very high95.4Very high4 Ų464.3 Ų64.32%0.02135%0.348CS..G310 helixtrans-61.9-19.5176.3-70.6173000113.5P224 V227 S229 A230 D234 F238 F241P224-L232 HydrophobicContact CB-CD2 3.85Å; P224-L232 HydrophobicContact CG-CD2 4.13Å; V227-L232 WeakPolarHBondContact O-CD1 3.39Å; S229-L232 PolarHBondContact O-N 2.75Å; A230-L232 PolarHBondContact O-N 3.04Å; L232-D234 VanDerWaalsContact C-N 3.29Å; L232-F238 HydrophobicContact CD2-CD1 3.68Å; L232-F238 HydrophobicContact CD2-CD2 4.01Å; L232-F238 HydrophobicContact CD2-CE1 3.68Å; L232-F238 HydrophobicContact CD2-CE2 3.99Å; L232-F238 HydrophobicContact CD2-CG 3.85Å; L232-F238 HydrophobicContact CD2-CZ 3.84Å; L232-F241 HydrophobicContact CB-CD1 4.34Å; L232-F241 HydrophobicContact CB-CD2 3.85Å; L232-F241 HydrophobicContact CB-CE1 4.31Å; L232-F241 HydrophobicContact CB-CE2 3.8Å; L232-F241 HydrophobicContact CB-CG 4.13Å; L232-F241 HydrophobicContact CB-CZ 4.03Å; L232-F241 HydrophobicContact CD1-CD2 4.3Å; L232-F241 HydrophobicContact CD1-CE2 3.8Å; L232-F241 HydrophobicContact CD1-CZ 4.42Å; L232-F241 HydrophobicContact CD2-CD2 4.14Å; L232-F241 HydrophobicContact CD2-CE2 4.47Å; L232-F241 HydrophobicContact CG-CD2 4.33Å; L232-F241 HydrophobicContact CG-CE2 4.25Å; L232-F241 WeakPolarHBondContact O-CB 3.19Å; L232-F241 VanDerWaalsContact O-CD1 3.23Å; L232-F241 WeakPolarHBondContact O-CD1 3.33Å; L232-F241 VanDerWaalsContact O-CG 3.31Å; L232-F241 WeakPolarHBondContact O-CG 3.19Å
233Q93.3Very high95.4Very high123 Ų12366.3 Ų66.358%0.57536%0.355SS*.G310 helixtrans-80.9-10.7175.9-57.1-66.1-30.900112.7A230 E231 R235 F241A230-Q233 WeakPolarHBondContact O-CB 3.36Å; A230-Q233 PolarHBondContact O-N 3.23Å; A230-Q233 VanDerWaalsContact O-N 3.1Å; E231-Q233 PolarHBondContact O-N 3.47Å; E231-Q233 VanDerWaalsContact O-N 3.12Å; Q233-R235 PolarHBondContact O-N 2.98Å; Q233-R235 VanDerWaalsContact O-N 3.07Å; Q233-F241 VanDerWaalsContact NE2-CE1 3.29Å
234D96.1Very high95.2Very high90 Ų9065.1 Ų65.148%0.48135%0.351SS..  trans-73.998.1173.8-172.8-17.4000109.7E231 L232 G236 L237 F238E231-D234 VanDerWaalsContact O-CB 3.3Å; E231-D234 WeakPolarHBondContact O-CB 3.23Å; E231-D234 PolarHBondContact O-N 3.38Å; L232-D234 VanDerWaalsContact C-N 3.29Å; D234-G236 PolarHBondContact O-N 3.41Å; D234-G236 VanDerWaalsContact O-N 3.15Å; D234-G236 WeakPolarHBondContact OD1-CA 3.48Å; D234-G236 PolarHBondContact OD1-N 2.92Å; D234-L237 HydrophobicContact CB-CB 4.15Å; D234-L237 PolarHBondContact O-N 2.95Å; D234-L237 PolarHBondContact OD1-N 2.84Å; D234-F238 PolarHBondContact O-N 3.26Å
235R94.4Very high95.1Very high164 Ų16465.4 Ų65.462%0.61935%0.353SS*.THydrogen-bonded Turntrans-62-19177.8-63.9-176176.2-166.2-0.9113.9Q233 P239 E242Q233-R235 PolarHBondContact O-N 2.98Å; Q233-R235 VanDerWaalsContact O-N 3.07Å; R235-P239 WeakPolarHBondContact O-CA 3.31Å; R235-E242 IonicContact CZ-OE1 3.31Å; R235-E242 IonicContact CZ-OE2 3.04Å; R235-E242 IonicContact NE-OE1 2.84Å; R235-E242 PolarHBondContact NE-OE1 2.8Å; R235-E242 IonicContact NE-OE2 3.3Å; R235-E242 IonicContact NH2-OE1 2.97Å; R235-E242 PolarHBondContact NH2-OE1 2.95Å; R235-E242 IonicContact NH2-OE2 2.63Å; R235-E242 PolarHBondContact NH2-OE2 2.95Å
236G95.9Very high94.8Very high58 Ų5869.9 Ų69.960%0.59838%0.375SS*.THydrogen-bonded Turntrans-73.8-30.7172.700000112.2T219 D234T219-G236 VanDerWaalsContact CG2-O 3.29Å; T219-G236 WeakPolarHBondContact CG2-O 3.35Å; D234-G236 PolarHBondContact O-N 3.41Å; D234-G236 VanDerWaalsContact O-N 3.15Å; D234-G236 WeakPolarHBondContact OD1-CA 3.48Å; D234-G236 PolarHBondContact OD1-N 2.92Å
237L96.3Very high94.7Very high52 Ų5268.9 Ų68.927%0.27237%0.371SS..THydrogen-bonded Turntrans-96.3-41.3-179.8-17359.4000112.6D218 T219 D234 P239D218-L237 CarbonylContact C-O 3.58Å; D218-L237 WeakPolarHBondContact CA-O 3.46Å; D218-L237 HydrophobicContact CB-CD1 3.98Å; D218-L237 HydrophobicContact CB-CG 4.19Å; T219-L237 PolarHBondContact N-O 2.95Å; D234-L237 HydrophobicContact CB-CB 4.15Å; D234-L237 PolarHBondContact O-N 2.95Å; D234-L237 PolarHBondContact OD1-N 2.84Å; L237-P239 WeakPolarHBondContact O-CD 3.43Å
238F96.8Very high94.6Very high12 Ų1268.5 Ų68.55%0.05337%0.368CS..  trans-121.874.5-179.3-64.5-84.5000110.6L216 D218 P224 E231 L232 D234 Q240 F241L216-F238 WeakPolarHBondContact O-CD1 3.34Å; L216-F238 WeakPolarHBondContact O-CE1 3.09Å; D218-F238 HydrophobicContact CB-CD1 4.1Å; D218-F238 HydrophobicContact CB-CE1 3.66Å; D218-F238 HydrophobicContact CB-CZ 3.94Å; P224-F238 HydrophobicContact CB-CE1 4.26Å; P224-F238 HydrophobicContact CB-CZ 4.31Å; E231-F238 HydrophobicContact CB-CE2 4.47Å; E231-F238 WeakPolarHBondContact O-CD2 3.18Å; L232-F238 HydrophobicContact CD2-CD1 3.68Å; L232-F238 HydrophobicContact CD2-CD2 4.01Å; L232-F238 HydrophobicContact CD2-CE1 3.68Å; L232-F238 HydrophobicContact CD2-CE2 3.99Å; L232-F238 HydrophobicContact CD2-CG 3.85Å; L232-F238 HydrophobicContact CD2-CZ 3.84Å; D234-F238 PolarHBondContact O-N 3.26Å; F238-Q240 PolarHBondContact O-N 3.34Å; F238-F241 HydrophobicContact CB-CB 3.99Å; F238-F241 PolarHBondContact O-N 2.84Å
239P95.9Very high94.6Very high73 Ų7368.6 Ų68.647%0.47436%0.363SS..THydrogen-bonded Turntrans-65.2-25.4-17025-34.6000114.1T219 R235 L237T219-P239 HydrophobicContact CG2-CG 4.23Å; R235-P239 WeakPolarHBondContact O-CA 3.31Å; L237-P239 WeakPolarHBondContact O-CD 3.43Å
240Q96.1Very high94.6Very high84 Ų8467.6 Ų67.639%0.39336%0.355SS..THydrogen-bonded Turntrans-103.83.4-175-60.8-175.2-9000113.6F215 F238 E242 E243F215-Q240 HydrophobicContact CB-CB 4.42Å; F215-Q240 HydrophobicContact CD1-CB 4.21Å; F215-Q240 CarbonylContact O-C 3.58Å; F215-Q240 VanDerWaalsContact O-C 3.29Å; F238-Q240 PolarHBondContact O-N 3.34Å; Q240-E242 PolarHBondContact O-N 3.01Å; Q240-E242 VanDerWaalsContact O-N 3.14Å; Q240-E243 VanDerWaalsContact O-CB 3.29Å; Q240-E243 WeakPolarHBondContact O-CB 3.36Å; Q240-E243 PolarHBondContact O-N 3.16Å
241F94.8Very high94.8Very high33 Ų3366.4 Ų66.415%0.14534%0.336CS..G310 helixtrans-56.7-36.2-172.9171.3-104.2000113.5F215 L216 L232 Q233 F238 E243 A244F215-F241 WeakPolarHBondContact O-CA 3.29Å; F215-F241 PolarHBondContact O-N 2.95Å; L216-F241 HydrophobicContact CD2-CD2 3.68Å; L216-F241 HydrophobicContact CD2-CE2 3.93Å; L232-F241 HydrophobicContact CB-CD1 4.34Å; L232-F241 HydrophobicContact CB-CD2 3.85Å; L232-F241 HydrophobicContact CB-CE1 4.31Å; L232-F241 HydrophobicContact CB-CE2 3.8Å; L232-F241 HydrophobicContact CB-CG 4.13Å; L232-F241 HydrophobicContact CB-CZ 4.03Å; L232-F241 HydrophobicContact CD1-CD2 4.3Å; L232-F241 HydrophobicContact CD1-CE2 3.8Å; L232-F241 HydrophobicContact CD1-CZ 4.42Å; L232-F241 HydrophobicContact CD2-CD2 4.14Å; L232-F241 HydrophobicContact CD2-CE2 4.47Å; L232-F241 HydrophobicContact CG-CD2 4.33Å; L232-F241 HydrophobicContact CG-CE2 4.25Å; L232-F241 WeakPolarHBondContact O-CB 3.19Å; L232-F241 VanDerWaalsContact O-CD1 3.23Å; L232-F241 WeakPolarHBondContact O-CD1 3.33Å; L232-F241 VanDerWaalsContact O-CG 3.31Å; L232-F241 WeakPolarHBondContact O-CG 3.19Å; Q233-F241 VanDerWaalsContact NE2-CE1 3.29Å; F238-F241 HydrophobicContact CB-CB 3.99Å; F238-F241 PolarHBondContact O-N 2.84Å; F241-E243 PolarHBondContact O-N 3.33Å; F241-A244 WeakPolarHBondContact O-CB 3.35Å; F241-A244 PolarHBondContact O-N 3.01Å; F241-A244 VanDerWaalsContact O-N 3.13Å
242E92.7Very high95Very high121 Ų12160.3 Ų60.357%0.56531%0.307SS*.G310 helixtrans-68.2-14.5178.8-65.9-177.9-179.500113.8R235 Q240R235-E242 IonicContact CZ-OE1 3.31Å; R235-E242 IonicContact CZ-OE2 3.04Å; R235-E242 IonicContact NE-OE1 2.84Å; R235-E242 PolarHBondContact NE-OE1 2.8Å; R235-E242 IonicContact NE-OE2 3.3Å; R235-E242 IonicContact NH2-OE1 2.97Å; R235-E242 PolarHBondContact NH2-OE1 2.95Å; R235-E242 IonicContact NH2-OE2 2.63Å; R235-E242 PolarHBondContact NH2-OE2 2.95Å; Q240-E242 PolarHBondContact O-N 3.01Å; Q240-E242 VanDerWaalsContact O-N 3.14Å
243E94Very high95.2Very high117 Ų11763.5 Ų63.555%0.54732%0.322SS..G310 helixtrans-85.6-18.1175.5-60.3167.6-15300112.1F215 Q240 F241F215-E243 HydrophobicContact CD1-CB 3.57Å; F215-E243 WeakPolarHBondContact CD1-OE2 3.37Å; F215-E243 HydrophobicContact CE1-CB 3.94Å; F215-E243 WeakPolarHBondContact CE1-OE2 3.28Å; F215-E243 HydrophobicContact CG-CB 4.14Å; Q240-E243 VanDerWaalsContact O-CB 3.29Å; Q240-E243 WeakPolarHBondContact O-CB 3.36Å; Q240-E243 PolarHBondContact O-N 3.16Å; F241-E243 PolarHBondContact O-N 3.33Å
244A93.1Very high95.4Very high13 Ų1359.6 Ų59.611%0.10731%0.311CS..SBendtrans-68.4141.717800000111.3F215 L216 F241F215-A244 HydrophobicContact CB-CB 3.77Å; L216-A244 HydrophobicContact CD2-CB 3.64Å; L216-A244 HydrophobicContact CG-CB 4.33Å; F241-A244 WeakPolarHBondContact O-CB 3.35Å; F241-A244 PolarHBondContact O-N 3.01Å; F241-A244 VanDerWaalsContact O-N 3.13Å
245C92.1Very high95.5Very high15 Ų1555.3 Ų55.310%0.10129%0.289CS..PPolyproline II helixtrans-66.5163.6169.979.60000111W24 Y208W24-C245 HydrophobicContact CB-CB 3.76Å; W24-C245 HydrophobicContact CG-CB 3.9Å; Y208-C245 VanDerWaalsContact CE1-O 3.29Å; Y208-C245 WeakPolarHBondContact CE1-O 3.2Å
246Q91.8Very high95.7Very high130 Ų13048.5 Ų48.561%0.60726%0.264SS*.PPolyproline II helixtrans-69.9146.7168.6-66.1-59.1-58.700110.1
247P94.1Very high95.9Very high20 Ų2045.7 Ų45.713%0.1324%0.235CC..PPolyproline II helixtrans-65.4145.8174.924.3-28.1000110.4L206 L207 Y208 E249L206-P247 HydrophobicContact CB-CB 4.01Å; L206-P247 HydrophobicContact CB-CG 4.47Å; L206-P247 HydrophobicContact CD2-CB 4.33Å; L206-P247 HydrophobicContact CD2-CG 4.12Å; L207-P247 WeakPolarHBondContact O-CA 3.09Å; Y208-P247 HydrophobicContact CD2-CB 4.02Å; Y208-P247 HydrophobicContact CE1-CB 4.33Å; Y208-P247 HydrophobicContact CE2-CB 3.54Å; Y208-P247 HydrophobicContact CE2-CG 4.11Å; Y208-P247 WeakPolarHBondContact OH-CD 3.33Å; P247-E249 PolarHBondContact O-N 3.01Å; P247-E249 VanDerWaalsContact O-N 3.12Å
248L94.7Very high96Very high2 Ų243.2 Ų43.21%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-69.3105.7163.2177.162.3000108.6V29 P51 L207 I250 W264V29-L248 HydrophobicContact CG2-CD1 3.58Å; V29-L248 HydrophobicContact CG2-CD2 3.35Å; V29-L248 HydrophobicContact CG2-CG 3.67Å; P51-L248 HydrophobicContact CG-CD2 3.89Å; L207-L248 HydrophobicContact CB-CB 4.12Å; L207-L248 HydrophobicContact CB-CD2 4.49Å; L207-L248 PolarHBondContact N-O 2.92Å; L207-L248 PolarHBondContact O-N 3.24Å; L248-I250 HydrophobicContact CD2-CD1 4.21Å; L248-I250 HydrophobicContact CG-CD1 4.18Å; L248-I250 HydrophobicContact CG-CG1 4.08Å; L248-W264 HydrophobicContact CD2-CZ3 4.22Å
249E95.8Very high96.1Very high81 Ų8142.7 Ų42.738%0.37922%0.22SC..EExtended strand (participates in β ladder)trans-88122.8178.6-177.5168.3152.800111.2K204 W205 L206 P247K204-E249 VanDerWaalsContact CE-OE1 3.24Å; K204-E249 WeakPolarHBondContact CE-OE1 3.44Å; K204-E249 VanDerWaalsContact CE-OE2 3.28Å; K204-E249 WeakPolarHBondContact CE-OE2 3.34Å; K204-E249 HydrophobicContact CG-CG 4.42Å; K204-E249 IonicContact NZ-OE1 3.84Å; K204-E249 PolarHBondContact NZ-OE1 2.98Å; K204-E249 IonicContact NZ-OE2 3.28Å; K204-E249 PolarHBondContact NZ-OE2 3.04Å; W205-E249 WeakPolarHBondContact O-CA 3.29Å; L206-E249 HydrophobicContact CD2-CB 4.14Å; L206-E249 HydrophobicContact CD2-CG 4.09Å; P247-E249 PolarHBondContact O-N 3.01Å; P247-E249 VanDerWaalsContact O-N 3.12Å
250I96.4Very high96.2Very high12 Ų1239.2 Ų39.26%0.06220%0.197CC..EExtended strand (participates in β ladder)trans-127.5128.7-178.3-52.3166.1000109.4V29 M53 K204 W205 L207 L248 I258V29-I250 HydrophobicContact CB-CD1 4.49Å; V29-I250 HydrophobicContact CG2-CD1 3.59Å; V29-I250 HydrophobicContact CG2-CG1 3.78Å; M53-I250 HydrophobicContact CE-CG2 4.23Å; M53-I250 HydrophobicContact CG-CG2 4.24Å; M53-I250 HydrophobicContact SD-CG2 3.78Å; K204-I250 CarbonylContact C-O 3.53Å; K204-I250 WeakPolarHBondContact CA-O 3.18Å; W205-I250 HydrophobicContact CB-CB 4.25Å; W205-I250 PolarHBondContact N-O 3.36Å; W205-I250 PolarHBondContact O-N 3.15Å; L207-I250 HydrophobicContact CD1-CD1 3.9Å; L207-I250 HydrophobicContact CD2-CD1 4.31Å; L248-I250 HydrophobicContact CD2-CD1 4.21Å; L248-I250 HydrophobicContact CG-CD1 4.18Å; L248-I250 HydrophobicContact CG-CG1 4.08Å; I250-I258 HydrophobicContact CD1-CD1 3.63Å
251I97.8Very high96.2Very high62 Ų6235.2 Ų35.232%0.31818%0.178SC..EExtended strand (participates in β ladder)trans-96.1114.5165.5-55-56.5000108.2K203 K204 E253 L271K203-I251 CarbonylContact O-C 3.59Å; K203-I251 WeakPolarHBondContact O-CA 3.21Å; K204-I251 HydrophobicContact CB-CD1 3.8Å; K204-I251 HydrophobicContact CD-CD1 4.33Å; K204-I251 HydrophobicContact CG-CD1 4.01Å; I251-E253 WeakPolarHBondContact CG2-OE1 3.43Å; I251-L271 HydrophobicContact CD1-CD1 4Å
252Q98.5Very high96.3Very high0 Ų033.7 Ų33.70%017%0.172CC..EExtended strand (participates in β ladder)trans-95119.4174.9177.9-179.830.600109.4M53 S196 N198 R202 K203 E256M53-Q252 HydrophobicContact CE-CB 4.04Å; M53-Q252 HydrophobicContact CE-CG 3.95Å; S196-Q252 PolarHBondContact O-NE2 2.81Å; N198-Q252 HydrophobicContact CB-CG 3.78Å; N198-Q252 PolarHBondContact ND2-O 3.11Å; R202-Q252 WeakPolarHBondContact CA-O 3.33Å; K203-Q252 HydrophobicContact CB-CB 4.29Å; K203-Q252 PolarHBondContact N-O 3.16Å; K203-Q252 PolarHBondContact O-N 3.2Å; Q252-E256 HydrophobicContact CG-CB 4.09Å; Q252-E256 PolarHBondContact NE2-O 3.38Å
253E98.6Very high96.5Very high71 Ų7128.3 Ų28.333%0.33215%0.149SC..PPolyproline II helixtrans-88.8171.6179.6-61.6-63.5162.400111.9N198 R202 I251 G255 E256N198-E253 PolarHBondContact ND2-O 2.86Å; N198-E253 VanDerWaalsContact ND2-O 3.13Å; R202-E253 WeakPolarHBondContact CD-OE2 3.4Å; R202-E253 VanDerWaalsContact CG-OE2 3.31Å; R202-E253 WeakPolarHBondContact CG-OE2 3.34Å; R202-E253 IonicContact CZ-OE1 3.11Å; R202-E253 VanDerWaalsContact CZ-OE1 3.3Å; R202-E253 IonicContact CZ-OE2 3.34Å; R202-E253 VanDerWaalsContact NE-CD 3.32Å; R202-E253 IonicContact NE-OE1 2.92Å; R202-E253 PolarHBondContact NE-OE1 2.94Å; R202-E253 IonicContact NE-OE2 2.72Å; R202-E253 PolarHBondContact NE-OE2 3.06Å; R202-E253 IonicContact NH2-OE1 2.61Å; R202-E253 PolarHBondContact NH2-OE1 2.93Å; I251-E253 WeakPolarHBondContact CG2-OE1 3.43Å; E253-G255 PolarHBondContact O-N 3.26Å; E253-E256 HydrophobicContact CB-CG 4.33Å; E253-E256 PolarHBondContact N-OE2 2.83Å; E253-E256 PolarHBondContact O-N 3.02Å
254A98.5Very high96.7Very high41 Ų4122.8 Ų22.834%0.33912%0.123SC..THydrogen-bonded Turntrans-63.6128.7179.800000112.2G201G201-A254 PolarHBondContact O-N 3.34Å
255G98.2Very high96.9Very high1 Ų122.3 Ų22.31%0.0112%0.119CC..THydrogen-bonded Turntrans91.5-15.8-178.700000115.3R56 T59 R65 N198 E253R56-G255 WeakPolarHBondContact CA-O 3.19Å; T59-G255 WeakPolarHBondContact CG2-O 3.3Å; T59-G255 PolarHBondContact OG1-O 3.07Å; R65-G255 VanDerWaalsContact CZ-CA 3.44Å; N198-G255 VanDerWaalsContact O-CA 3.23Å; N198-G255 WeakPolarHBondContact O-CA 3.27Å; N198-G255 PolarHBondContact O-N 3.42Å; E253-G255 PolarHBondContact O-N 3.26Å
256E98.6Very high97.2Very high20 Ų2021.8 Ų21.89%0.09312%0.115CC..  trans-75155.7-175.8-61.5-175.7148.500112.1Y31 M53 F54 A197 N198 Q252 E253Y31-E256 WeakPolarHBondContact CE2-OE1 3.48Å; Y31-E256 VanDerWaalsContact CZ-OE1 3.28Å; Y31-E256 PolarHBondContact OH-OE1 2.95Å; M53-E256 HydrophobicContact CE-CB 4.12Å; F54-E256 WeakPolarHBondContact O-CA 3.23Å; F54-E256 WeakPolarHBondContact O-CB 3.42Å; A197-E256 WeakPolarHBondContact CA-O 3.11Å; N198-E256 PolarHBondContact N-O 2.96Å; Q252-E256 HydrophobicContact CG-CB 4.09Å; Q252-E256 PolarHBondContact NE2-O 3.38Å; E253-E256 HydrophobicContact CB-CG 4.33Å; E253-E256 PolarHBondContact N-OE2 2.83Å; E253-E256 PolarHBondContact O-N 3.02Å
257I98.7Very high97.5Very high0 Ų015.6 Ų15.60%09%0.086CC..EExtended strand (participates in β ladder)trans-116.2130.6173.5-41.9178.7000108.8M53 F54 F58 T59 W62 P151 F154 W195 S196 A197M53-I257 CarbonylContact C-O 3.57Å; M53-I257 WeakPolarHBondContact CA-O 3.35Å; F54-I257 HydrophobicContact CB-CB 3.99Å; F54-I257 HydrophobicContact CB-CG1 4.35Å; F54-I257 HydrophobicContact CD2-CB 4.33Å; F54-I257 HydrophobicContact CG-CB 4.48Å; F54-I257 PolarHBondContact N-O 3.48Å; F54-I257 PolarHBondContact O-N 3.34Å; F58-I257 HydrophobicContact CB-CD1 4.11Å; T59-I257 HydrophobicContact CG2-CD1 3.62Å; T59-I257 HydrophobicContact CG2-CG1 3.64Å; W62-I257 HydrophobicContact CH2-CD1 4.37Å; P151-I257 HydrophobicContact CG-CD1 4.1Å; F154-I257 HydrophobicContact CE2-CD1 4.34Å; F154-I257 HydrophobicContact CE2-CG2 4.04Å; F154-I257 HydrophobicContact CZ-CG2 4.22Å; W195-I257 HydrophobicContact CB-CG2 4.16Å; W195-I257 HydrophobicContact CD2-CG2 4.43Å; W195-I257 HydrophobicContact CE3-CG2 3.82Å; S196-I257 WeakPolarHBondContact O-CA 3.35Å; A197-I257 HydrophobicContact CB-CG1 3.94Å; A197-I257 HydrophobicContact CB-CG2 4.43Å
258I98.6Very high97.7Very high0 Ų015 Ų150%08%0.082CC..EExtended strand (participates in β ladder)trans-97.9135.1165.6-177.4169.4000109.1M53 W195 S196 W205 L207 I250 V260M53-I258 HydrophobicContact CE-CB 4.25Å; M53-I258 HydrophobicContact SD-CB 3.51Å; M53-I258 VanDerWaalsContact SD-CB 3.51Å; M53-I258 HydrophobicContact SD-CD1 4.08Å; M53-I258 HydrophobicContact SD-CG1 3.67Å; W195-I258 WeakPolarHBondContact CA-O 3.35Å; S196-I258 PolarHBondContact N-O 2.82Å; S196-I258 PolarHBondContact O-N 3.15Å; W205-I258 HydrophobicContact CD2-CD1 3.97Å; W205-I258 HydrophobicContact CD2-CG2 4.38Å; W205-I258 HydrophobicContact CE3-CD1 4.23Å; W205-I258 HydrophobicContact CG-CD1 4.07Å; W205-I258 HydrophobicContact CH2-CG2 4.02Å; W205-I258 HydrophobicContact CZ2-CG2 3.59Å; L207-I258 HydrophobicContact CD1-CD1 4.24Å; L207-I258 HydrophobicContact CD2-CD1 4.32Å; I250-I258 HydrophobicContact CD1-CD1 3.63Å; I258-V260 HydrophobicContact CD1-CG2 4.28Å; I258-V260 HydrophobicContact CG1-CG2 4.18Å; I258-V260 HydrophobicContact CG2-CG2 4.44Å
259F98.6Very high97.9Very high0 Ų017.1 Ų17.10%09%0.09CC..EExtended strand (participates in β ladder)trans-95.5118.4163.2168.8-129.2000109.2F41 L46 H50 P51 C52 F54 F154 Y193 P261 W281F41-F259 HydrophobicContact CZ-CD1 4.23Å; F41-F259 HydrophobicContact CZ-CG 4.39Å; L46-F259 HydrophobicContact CD2-CE1 4.44Å; L46-F259 HydrophobicContact CD2-CE2 4.22Å; L46-F259 HydrophobicContact CD2-CZ 3.83Å; H50-F259 VanDerWaalsContact O-CD1 3.29Å; H50-F259 WeakPolarHBondContact O-CD1 3.46Å; H50-F259 WeakPolarHBondContact O-CE1 3.41Å; P51-F259 WeakPolarHBondContact CA-O 3.47Å; C52-F259 PolarHBondContact O-N 2.86Å; F54-F259 HydrophobicContact CE2-CB 4.4Å; F154-F259 HydrophobicContact CE1-CB 4.37Å; Y193-F259 AromaticContact CD1-CE2 3.55Å; Y193-F259 HydrophobicContact CD1-CE2 3.55Å; Y193-F259 AromaticContact CD1-CZ 3.58Å; Y193-F259 HydrophobicContact CD1-CZ 3.58Å; Y193-F259 HydrophobicContact CD2-CE2 4.49Å; Y193-F259 HydrophobicContact CE1-CE2 4.17Å; Y193-F259 AromaticContact CE1-CZ 3.71Å; Y193-F259 HydrophobicContact CE1-CZ 3.71Å; Y193-F259 AromaticContact CG-CE2 3.77Å; Y193-F259 HydrophobicContact CG-CE2 3.77Å; Y193-F259 HydrophobicContact CG-CZ 4.11Å; F259-P261 HydrophobicContact CD1-CG 4.47Å; F259-P261 HydrophobicContact CE1-CB 4.25Å; F259-P261 HydrophobicContact CE1-CG 4.08Å; F259-P261 HydrophobicContact CZ-CB 4.1Å; F259-P261 HydrophobicContact CZ-CG 4.36Å; F259-W281 AromaticContact CD2-CH2 3.44Å; F259-W281 HydrophobicContact CD2-CH2 3.44Å; F259-W281 VanDerWaalsContact CD2-CH2 3.44Å; F259-W281 HydrophobicContact CD2-CZ2 4.12Å; F259-W281 HydrophobicContact CD2-CZ3 4.33Å; F259-W281 AromaticContact CE2-CH2 3.47Å; F259-W281 HydrophobicContact CE2-CH2 3.47Å; F259-W281 VanDerWaalsContact CE2-CH2 3.47Å; F259-W281 AromaticContact CE2-CZ2 3.74Å; F259-W281 HydrophobicContact CE2-CZ2 3.74Å; F259-W281 HydrophobicContact CE2-CZ3 4.42Å
260V98.3Very high98Very high0 Ų013.4 Ų13.40%07%0.073CC..EExtended strand (participates in β ladder)trans-100.7115.5174.9-175.90000108.3S194 W205 I258 W264S194-V260 PolarHBondContact N-O 3.31Å; S194-V260 PolarHBondContact O-N 3.01Å; W205-V260 HydrophobicContact CE3-CG2 4.41Å; W205-V260 HydrophobicContact CH2-CG2 4.48Å; W205-V260 HydrophobicContact CZ3-CG2 3.92Å; I258-V260 HydrophobicContact CD1-CG2 4.28Å; I258-V260 HydrophobicContact CG1-CG2 4.18Å; I258-V260 HydrophobicContact CG2-CG2 4.44Å; V260-W264 HydrophobicContact CG1-CB 4.23Å
261P96.9Very high98.1Very high0 Ų015.6 Ų15.60%08%0.084CC..  trans-76.4167.4-177.2-9.224.8000112.6N49 P51 Y193 F259 G263 W264N49-P261 VanDerWaalsContact C-CB 3.5Å; N49-P261 HydrophobicContact CB-CB 4.39Å; N49-P261 WeakPolarHBondContact O-CB 3.34Å; N49-P261 WeakPolarHBondContact OD1-CB 3.26Å; P51-P261 HydrophobicContact CB-CG 3.98Å; Y193-P261 HydrophobicContact CD1-CB 4.46Å; Y193-P261 HydrophobicContact CE1-CB 4.25Å; F259-P261 HydrophobicContact CD1-CG 4.47Å; F259-P261 HydrophobicContact CE1-CB 4.25Å; F259-P261 HydrophobicContact CE1-CG 4.08Å; F259-P261 HydrophobicContact CZ-CB 4.1Å; F259-P261 HydrophobicContact CZ-CG 4.36Å; P261-G263 PolarHBondContact O-N 3.26Å; P261-W264 VanDerWaalsContact CB-CD1 3.44Å; P261-W264 HydrophobicContact CB-CG 4.25Å; P261-W264 HydrophobicContact CG-CD2 4.31Å; P261-W264 HydrophobicContact CG-CG 4.17Å; P261-W264 WeakPolarHBondContact O-CB 2.98Å; P261-W264 PolarHBondContact O-N 2.67Å
262S97.4Very high98.2Very high1 Ų115.5 Ų15.51%0.0078%0.083CC..THydrogen-bonded Turntrans-59.8127.2-176.8175.20000111.6N49 R191 S192 Y193 W264 I289N49-S262 PolarHBondContact ND2-O 2.89Å; N49-S262 WeakPolarHBondContact OD1-CB 3.37Å; N49-S262 PolarHBondContact OD1-N 2.77Å; R191-S262 WeakPolarHBondContact O-CA 3.38Å; R191-S262 VanDerWaalsContact O-CB 3.26Å; R191-S262 WeakPolarHBondContact O-CB 3.49Å; R191-S262 PolarHBondContact O-OG 2.72Å; S192-S262 WeakPolarHBondContact O-CA 3.38Å; Y193-S262 VanDerWaalsContact CE1-N 3.32Å; S262-W264 VanDerWaalsContact C-N 3.26Å; S262-W264 PolarHBondContact O-N 2.66Å; S262-I289 WeakPolarHBondContact OG-CD1 3.31Å
263G96.3Very high98.2Very high9 Ų916.1 Ų16.19%0.0939%0.086CC..THydrogen-bonded Turntrans75.44.117700000115.7P261 H265P261-G263 PolarHBondContact O-N 3.26Å; G263-H265 PolarHBondContact O-N 2.76Å; G263-H265 PolarHBondContact O-ND1 2.94Å
264W97.2Very high98.2Very high1 Ų112.8 Ų12.80%0.0047%0.07CC..  trans-73.3111.2174.2-76.465.3000109.9Y20 F23 N49 P51 L207 P209 P210 L248 V260 P261 S262 H266Y20-W264 AromaticContact CD1-CZ2 3.8Å; Y20-W264 HydrophobicContact CD1-CZ2 3.8Å; Y20-W264 AromaticContact CE1-CZ2 3.98Å; Y20-W264 HydrophobicContact CE1-CZ2 3.98Å; F23-W264 HydrophobicContact CB-CH2 4.12Å; F23-W264 HydrophobicContact CD1-CH2 4.16Å; F23-W264 AromaticContact CD2-CH2 3.65Å; F23-W264 HydrophobicContact CD2-CH2 3.65Å; F23-W264 HydrophobicContact CD2-CZ2 4.02Å; F23-W264 HydrophobicContact CE2-CH2 4.05Å; F23-W264 HydrophobicContact CE2-CZ2 4.09Å; F23-W264 AromaticContact CG-CH2 3.71Å; F23-W264 HydrophobicContact CG-CH2 3.71Å; F23-W264 HydrophobicContact CZ-CH2 4.47Å; N49-W264 PolarHBondContact O-NE1 2.96Å; N49-W264 VanDerWaalsContact O-NE1 3.11Å; P51-W264 VanDerWaalsContact CD-CZ2 3.5Å; P51-W264 HydrophobicContact CG-CH2 3.78Å; P51-W264 HydrophobicContact CG-CZ2 4.15Å; P51-W264 HydrophobicContact CG-CZ3 4.04Å; L207-W264 HydrophobicContact CB-CE3 4.02Å; L207-W264 HydrophobicContact CB-CZ3 4.37Å; L207-W264 HydrophobicContact CD2-CE3 4.22Å; P209-W264 HydrophobicContact CB-CE3 4.48Å; P209-W264 HydrophobicContact CB-CH2 4.01Å; P209-W264 HydrophobicContact CB-CZ2 4.21Å; P209-W264 HydrophobicContact CB-CZ3 4.15Å; P209-W264 HydrophobicContact CG-CE3 4.43Å; P209-W264 HydrophobicContact CG-CH2 3.81Å; P209-W264 HydrophobicContact CG-CZ2 4.49Å; P209-W264 HydrophobicContact CG-CZ3 3.76Å; P210-W264 VanDerWaalsContact CD-CD1 3.47Å; P210-W264 HydrophobicContact CG-CG 4.27Å; L248-W264 HydrophobicContact CD2-CZ3 4.22Å; V260-W264 HydrophobicContact CG1-CB 4.23Å; P261-W264 VanDerWaalsContact CB-CD1 3.44Å; P261-W264 HydrophobicContact CB-CG 4.25Å; P261-W264 HydrophobicContact CG-CD2 4.31Å; P261-W264 HydrophobicContact CG-CG 4.17Å; P261-W264 WeakPolarHBondContact O-CB 2.98Å; P261-W264 PolarHBondContact O-N 2.67Å; S262-W264 VanDerWaalsContact C-N 3.26Å; S262-W264 PolarHBondContact O-N 2.66Å; W264-H266 PolarHBondContact O-ND1 3.05Å
265H97.9Very high98.2Very high2 Ų210.8 Ų10.81%0.0095%0.054CC..EExtended strand (participates in β ladder)trans-74139.7175.5-68.179.9000109.8F185 H186 R191 Y208 E213 G263F185-H265 HydrophobicContact CD2-CB 4.24Å; F185-H265 HydrophobicContact CE1-CB 3.95Å; F185-H265 HydrophobicContact CE2-CB 3.38Å; F185-H265 HydrophobicContact CZ-CB 3.22Å; H186-H265 CarbonylContact O-C 3.59Å; H186-H265 WeakPolarHBondContact O-CA 3.17Å; R191-H265 PolarHBondContact NH1-CE1 3.32Å; R191-H265 PolarHBondContact NH1-NE2 3.11Å; Y208-H265 PolarHBondContact N-O 3.02Å; Y208-H265 PolarHBondContact O-N 2.89Å; E213-H265 VanDerWaalsContact CD-ND1 3.31Å; E213-H265 WeakPolarHBondContact CG-CE1 3.29Å; E213-H265 IonicContact OE1-CE1 2.63Å; E213-H265 PolarHBondContact OE1-CE1 3.39Å; E213-H265 IonicContact OE1-ND1 2.67Å; E213-H265 IonicContact OE2-CE1 3.69Å; E213-H265 IonicContact OE2-ND1 3.24Å; E213-H265 PolarHBondContact OE2-ND1 2.55Å; G263-H265 PolarHBondContact O-N 2.76Å; G263-H265 PolarHBondContact O-ND1 2.94Å
266H98.3Very high98.2Very high5 Ų510.8 Ų10.82%0.0235%0.054CC..EExtended strand (participates in β ladder)trans-153157.4-173.661.7-84.6000113.6F185 H186 D188 W205 L206 L207 W264F185-H266 WeakPolarHBondContact CA-O 3.24Å; H186-H266 AromaticContact CE1-CD2 3.73Å; H186-H266 AromaticContact CE1-CE1 3.96Å; H186-H266 AromaticContact CE1-NE2 3.36Å; H186-H266 PolarHBondContact CE1-NE2 2.69Å; H186-H266 PolarHBondContact N-O 3.31Å; H186-H266 PolarHBondContact ND1-O 3.35Å; H186-H266 AromaticContact NE2-CE1 3.79Å; H186-H266 AromaticContact NE2-NE2 3.44Å; H186-H266 PolarHBondContact NE2-NE2 2.73Å; H186-H266 PolarHBondContact O-N 3.37Å; D188-H266 IonicContact OD2-CE1 2.95Å; D188-H266 PolarHBondContact OD2-CE1 3.4Å; W205-H266 AromaticContact CE3-CD2 3.9Å; W205-H266 AromaticContact CZ3-CD2 3.58Å; W205-H266 AromaticContact CZ3-NE2 3.87Å; L206-H266 CarbonylContact O-C 3.58Å; L206-H266 WeakPolarHBondContact O-CA 2.87Å; L206-H266 WeakPolarHBondContact O-CB 3.1Å; L207-H266 HydrophobicContact CD1-CB 4.37Å; L207-H266 HydrophobicContact CG-CB 3.99Å; W264-H266 PolarHBondContact O-ND1 3.05Å
267Q98.4Very high98.2Very high0 Ų09.9 Ų9.90%05%0.049CC..EExtended strand (participates in β ladder)trans-130.4141.8175.4178.5164.2-65.600109.2W182 T183 F185 W205 L206 Y225 D226 V227 Y269W182-Q267 HydrophobicContact CE3-CG 4.21Å; W182-Q267 HydrophobicContact CZ3-CG 4.31Å; T183-Q267 WeakPolarHBondContact O-CG 3.37Å; F185-Q267 HydrophobicContact CB-CB 4.48Å; F185-Q267 HydrophobicContact CD2-CB 4.38Å; W205-Q267 WeakPolarHBondContact CA-O 3.19Å; L206-Q267 HydrophobicContact CB-CB 4.4Å; L206-Q267 PolarHBondContact N-O 2.97Å; L206-Q267 PolarHBondContact O-N 3Å; Y225-Q267 PolarHBondContact O-OE1 2.66Å; D226-Q267 VanDerWaalsContact CA-OE1 3.31Å; D226-Q267 PolarHBondContact OD1-NE2 3.19Å; V227-Q267 HydrophobicContact CG2-CB 3.86Å; V227-Q267 HydrophobicContact CG2-CG 4.33Å; V227-Q267 VanDerWaalsContact N-OE1 3.11Å; Q267-Y269 HydrophobicContact CG-CE2 3.94Å; Q267-Y269 VanDerWaalsContact NE2-CZ 3.33Å; Q267-Y269 PolarHBondContact NE2-OH 3.31Å
268V98.6Very high98.2Very high7 Ų710.1 Ų10.14%0.0425%0.051CC..EExtended strand (participates in β ladder)trans-133.9131.1-170.1-164.50000111.2W182 T183 K203 K204 W205W182-V268 CarbonylContact C-O 3.41Å; W182-V268 WeakPolarHBondContact CA-O 3.2Å; W182-V268 VanDerWaalsContact CB-O 3.24Å; W182-V268 WeakPolarHBondContact CB-O 3.44Å; T183-V268 PolarHBondContact N-O 2.63Å; T183-V268 PolarHBondContact O-N 2.93Å; K203-V268 HydrophobicContact CB-CG1 4.25Å; K203-V268 HydrophobicContact CD-CG1 3.97Å; K204-V268 CarbonylContact O-C 3.6Å; K204-V268 WeakPolarHBondContact O-CA 3.33Å; W205-V268 HydrophobicContact CD2-CB 4.47Å; W205-V268 HydrophobicContact CD2-CG1 3.9Å; W205-V268 HydrophobicContact CD2-CG2 3.81Å; W205-V268 HydrophobicContact CE3-CB 4.44Å; W205-V268 HydrophobicContact CE3-CG1 4.29Å; W205-V268 HydrophobicContact CE3-CG2 3.34Å; W205-V268 HydrophobicContact CG-CG1 4.3Å; W205-V268 HydrophobicContact CH2-CG1 4.4Å; W205-V268 HydrophobicContact CH2-CG2 3.91Å; W205-V268 HydrophobicContact CZ2-CG1 4.03Å; W205-V268 HydrophobicContact CZ2-CG2 4.34Å; W205-V268 HydrophobicContact CZ3-CG2 3.41Å; W205-V268 VanDerWaalsContact CZ3-CG2 3.41Å
269Y98.6Very high98.1Very high46 Ų4610.2 Ų10.218%0.185%0.051CC..EExtended strand (participates in β ladder)trans-118.2134.1174.3-61.9-89.3000111W182 K203 K204 L206 D226 T228 Q267 L271W182-Y269 HydrophobicContact CB-CD1 3.45Å; W182-Y269 VanDerWaalsContact CB-CD1 3.45Å; W182-Y269 HydrophobicContact CB-CE1 3.93Å; W182-Y269 HydrophobicContact CB-CG 4.14Å; W182-Y269 HydrophobicContact CD2-CD1 4.5Å; W182-Y269 HydrophobicContact CD2-CE1 4.06Å; W182-Y269 HydrophobicContact CE3-CE1 4.01Å; W182-Y269 HydrophobicContact CG-CD1 4.03Å; W182-Y269 HydrophobicContact CG-CE1 4.03Å; K203-Y269 CarbonylContact C-O 3.54Å; K203-Y269 VanDerWaalsContact CA-O 3.25Å; K203-Y269 WeakPolarHBondContact CA-O 3.44Å; K204-Y269 PolarHBondContact N-O 2.91Å; K204-Y269 PolarHBondContact O-N 2.64Å; L206-Y269 HydrophobicContact CD1-CE2 4.2Å; D226-Y269 PolarHBondContact OD1-OH 3.37Å; T228-Y269 PolarHBondContact OG1-OH 3.02Å; Q267-Y269 HydrophobicContact CG-CE2 3.94Å; Q267-Y269 VanDerWaalsContact NE2-CZ 3.33Å; Q267-Y269 PolarHBondContact NE2-OH 3.31Å; Y269-L271 PolarHBondContact O-N 3.11Å
270N98.7Very high98.1Very high3 Ų310.4 Ų10.42%0.0165%0.052CC..EExtended strand (participates in β ladder)trans-84.5107.4167.9-63.6-30000108.7Y132 G180 S181 K203 E272Y132-N270 WeakPolarHBondContact CE2-ND2 3.41Å; G180-N270 PolarHBondContact N-O 2.97Å; S181-N270 WeakPolarHBondContact O-CB 3.36Å; S181-N270 PolarHBondContact O-N 2.92Å; S181-N270 PolarHBondContact OG-ND2 3.07Å; K203-N270 VanDerWaalsContact CE-OD1 3.26Å; K203-N270 WeakPolarHBondContact CE-OD1 3.34Å; K203-N270 WeakPolarHBondContact CG-OD1 3.36Å; N270-E272 VanDerWaalsContact C-N 3.28Å
271L98.7Very high98Very high58 Ų5810.4 Ų10.430%0.3045%0.052SC..SBendtrans-77.5-17.9179.8-57-175.6000112.5K179 R202 K204 I251 Y269K179-L271 WeakPolarHBondContact CD-O 3.39Å; K179-L271 WeakPolarHBondContact CE-O 3.4Å; K179-L271 VanDerWaalsContact CG-O 3.3Å; K179-L271 WeakPolarHBondContact CG-O 3.42Å; R202-L271 HydrophobicContact CB-CB 4.18Å; R202-L271 PolarHBondContact O-N 3.48Å; K204-L271 HydrophobicContact CB-CD1 4.03Å; K204-L271 HydrophobicContact CB-CD2 3.99Å; K204-L271 HydrophobicContact CB-CG 4.06Å; I251-L271 HydrophobicContact CD1-CD1 4Å; Y269-L271 PolarHBondContact O-N 3.11Å
272E98.6Very high98.1Very high60 Ų6010.4 Ų10.428%0.285%0.052SC..SBendtrans-137.4174.7175-66.5-166-16000110.5K74 R202 N270 T274K74-E272 IonicContact NZ-OE2 3.57Å; K74-E272 PolarHBondContact NZ-OE2 2.92Å; R202-E272 HydrophobicContact CB-CG 4.3Å; R202-E272 WeakPolarHBondContact CD-OE1 3.41Å; R202-E272 HydrophobicContact CG-CG 4.26Å; N270-E272 VanDerWaalsContact C-N 3.28Å; E272-T274 PolarHBondContact O-N 3.2Å; E272-T274 PolarHBondContact O-OG1 3.35Å
273D98.6Very high98.1Very high14 Ų1410.4 Ų10.48%0.0755%0.052CC..SBendtrans-62.1116.7169.4-60.5-54.6000109.8P75 W116 H124 P178 K179 G201P75-D273 HydrophobicContact CG-CB 4.01Å; W116-D273 HydrophobicContact CZ2-CB 3.84Å; W116-D273 PolarHBondContact NE1-OD1 3.48Å; H124-D273 IonicContact CE1-OD1 3.78Å; H124-D273 IonicContact CE1-OD2 2.61Å; P178-D273 WeakPolarHBondContact CA-OD1 3.4Å; K179-D273 PolarHBondContact N-OD1 2.81Å; K179-D273 VanDerWaalsContact N-OD1 3.12Å; G201-D273 WeakPolarHBondContact CA-O 3.2Å
274T98.6Very high98.1Very high0 Ų010 Ų100%05%0.048CC..EExtended strand (participates in β ladder)trans-128143.1-162.4-81.80000112.2W116 M176 G177 N198 C200 G201 R202 K203 E272W116-T274 WeakPolarHBondContact CH2-O 3.1Å; M176-T274 CarbonylContact C-O 3.58Å; M176-T274 WeakPolarHBondContact CA-O 3.47Å; M176-T274 WeakPolarHBondContact CB-O 3.46Å; G177-T274 PolarHBondContact N-O 2.74Å; G177-T274 PolarHBondContact O-N 2.84Å; N198-T274 WeakPolarHBondContact OD1-CG2 3.49Å; C200-T274 WeakPolarHBondContact O-CA 3.46Å; C200-T274 PolarHBondContact O-OG1 2.61Å; G201-T274 WeakPolarHBondContact CA-OG1 3.12Å; R202-T274 PolarHBondContact N-OG1 2.88Å; K203-T274 HydrophobicContact CD-CG2 4.35Å; K203-T274 HydrophobicContact CG-CG2 4.12Å; E272-T274 PolarHBondContact O-N 3.2Å; E272-T274 PolarHBondContact O-OG1 3.35Å
275I98.8Very high98Very high0 Ų010.2 Ų10.20%05%0.049CC..EExtended strand (participates in β ladder)trans-125.1134.1164.3-58168.9000107W68 P75 L80 W116 Y175 M176 I199 C200W68-I275 HydrophobicContact CB-CD1 4.21Å; W68-I275 HydrophobicContact CE3-CG2 3.93Å; W68-I275 HydrophobicContact CZ3-CG2 4.24Å; P75-I275 HydrophobicContact CB-CD1 3.95Å; P75-I275 HydrophobicContact CB-CG1 4.45Å; P75-I275 HydrophobicContact CG-CD1 4.34Å; P75-I275 HydrophobicContact CG-CG1 4.39Å; L80-I275 HydrophobicContact CD1-CD1 3.95Å; W116-I275 HydrophobicContact CH2-CG1 4.43Å; Y175-I275 CarbonylContact O-C 3.52Å; Y175-I275 WeakPolarHBondContact O-CA 3.43Å; M176-I275 HydrophobicContact CB-CB 4.26Å; M176-I275 HydrophobicContact CB-CG1 3.8Å; M176-I275 HydrophobicContact CB-CG2 4.33Å; M176-I275 HydrophobicContact CE-CG2 4.38Å; I199-I275 WeakPolarHBondContact CA-O 3.46Å; I199-I275 HydrophobicContact CB-CB 4.3Å; I199-I275 HydrophobicContact CB-CG2 4.27Å; I199-I275 WeakPolarHBondContact CB-O 3.41Å; I199-I275 HydrophobicContact CG1-CG2 4.43Å; I199-I275 PolarHBondContact N-O 3.48Å; C200-I275 PolarHBondContact N-O 3.24Å; C200-I275 PolarHBondContact O-N 3.15Å
276S98.6Very high97.9Very high0 Ų010.1 Ų10.10%05%0.049CC..EExtended strand (participates in β ladder)trans-137.215717368.30000112.5Y175 A197 K203 N278Y175-S276 PolarHBondContact N-O 3Å; Y175-S276 PolarHBondContact O-N 2.81Å; A197-S276 CarbonylContact O-C 3.44Å; A197-S276 WeakPolarHBondContact O-CA 3.34Å; A197-S276 VanDerWaalsContact O-CB 3.28Å; A197-S276 WeakPolarHBondContact O-CB 3.37Å; K203-S276 VanDerWaalsContact NZ-CB 3.31Å; K203-S276 PolarHBondContact NZ-OG 2.91Å; S276-N278 PolarHBondContact OG-OD1 3.41Å
277I98.4Very high97.8Very high1 Ų19.9 Ų9.91%0.0055%0.048CC..EExtended strand (participates in β ladder)trans-111.6129.7170-61.3178.4000107.4W62 C64 V147 Y148 F173 W195 S196 A197 I199W62-I277 HydrophobicContact CE3-CD1 4.4Å; W62-I277 HydrophobicContact CZ3-CD1 4.27Å; C64-I277 HydrophobicContact CB-CD1 4.41Å; V147-I277 HydrophobicContact CG2-CD1 4.23Å; Y148-I277 HydrophobicContact CD1-CD1 3.55Å; Y148-I277 HydrophobicContact CD1-CG2 4.22Å; Y148-I277 HydrophobicContact CD2-CG2 4.31Å; Y148-I277 HydrophobicContact CE1-CD1 4.17Å; Y148-I277 HydrophobicContact CE1-CG2 3.94Å; Y148-I277 HydrophobicContact CE2-CG2 4.02Å; Y148-I277 HydrophobicContact CG-CD1 3.82Å; Y148-I277 HydrophobicContact CG-CG2 4.4Å; F173-I277 WeakPolarHBondContact O-CA 3.47Å; W195-I277 HydrophobicContact CH2-CG2 3.87Å; W195-I277 HydrophobicContact CZ3-CB 4.46Å; W195-I277 HydrophobicContact CZ3-CG2 4.13Å; S196-I277 CarbonylContact C-O 3.51Å; S196-I277 WeakPolarHBondContact CA-O 3.26Å; A197-I277 PolarHBondContact N-O 3.38Å; A197-I277 PolarHBondContact O-N 3.13Å; I199-I277 HydrophobicContact CD1-CD1 4.01Å; I199-I277 HydrophobicContact CD1-CG1 4.13Å; I199-I277 HydrophobicContact CG1-CD1 4.24Å; I199-I277 HydrophobicContact CG1-CG1 4.01Å
278N97.9Very high97.6Very high6 Ų611 Ų113%0.0325%0.054CC..EExtended strand (participates in β ladder)trans-127.7139.2-173.9-75.667.2000109.9R172 F173 Y175 W195 S196 S276R172-N278 CarbonylContact C-O 3.58Å; R172-N278 WeakPolarHBondContact CA-O 3.16Å; F173-N278 HydrophobicContact CB-CB 4.36Å; F173-N278 PolarHBondContact N-O 3.03Å; F173-N278 PolarHBondContact O-N 2.96Å; Y175-N278 HydrophobicContact CD2-CB 4.16Å; Y175-N278 VanDerWaalsContact CD2-CG 3.48Å; Y175-N278 WeakPolarHBondContact CD2-OD1 3.47Å; Y175-N278 HydrophobicContact CE2-CB 3.71Å; Y175-N278 WeakPolarHBondContact CE2-ND2 2.97Å; W195-N278 VanDerWaalsContact O-CA 3.27Å; W195-N278 WeakPolarHBondContact O-CA 3.28Å; S196-N278 VanDerWaalsContact CB-ND2 3.29Å; S196-N278 WeakPolarHBondContact CB-ND2 3.35Å; S196-N278 PolarHBondContact OG-ND2 3.4Å; S196-N278 PolarHBondContact OG-OD1 2.92Å; S276-N278 PolarHBondContact OG-OD1 3.41Å
279H97.1Very high97.5Very high1 Ų111.8 Ų11.81%0.0056%0.058CC..EExtended strand (participates in β ladder)trans-128.7142.3170.1-79.5-136.5000109.6Y148 D157 Y171 S194 W195Y148-H279 AromaticContact CE2-CE1 3.89Å; Y148-H279 AromaticContact CE2-NE2 3.21Å; Y148-H279 WeakPolarHBondContact CE2-NE2 3.47Å; Y148-H279 AromaticContact CZ-NE2 3.22Å; Y148-H279 PolarHBondContact OH-CE1 2.96Å; Y148-H279 VanDerWaalsContact OH-CE1 3.3Å; Y148-H279 PolarHBondContact OH-NE2 3.12Å; D157-H279 IonicContact OD2-ND1 3.98Å; Y171-H279 WeakPolarHBondContact O-CA 3.4Å; S194-H279 CarbonylContact C-O 3.47Å; S194-H279 WeakPolarHBondContact CA-O 3.22Å; S194-H279 PolarHBondContact OG-O 3.27Å; W195-H279 HydrophobicContact CD2-CB 4.23Å; W195-H279 AromaticContact CE2-CD2 3.68Å; W195-H279 AromaticContact CE2-CG 3.55Å; W195-H279 HydrophobicContact CG-CB 4.32Å; W195-H279 AromaticContact CH2-CD2 3.66Å; W195-H279 AromaticContact CH2-NE2 3.89Å; W195-H279 HydrophobicContact CZ2-CB 4.1Å; W195-H279 AromaticContact CZ2-CD2 3.18Å; W195-H279 WeakPolarHBondContact CZ2-CD2 3.34Å; W195-H279 AromaticContact CZ2-CE1 3.82Å; W195-H279 AromaticContact CZ2-CG 3.48Å; W195-H279 VanDerWaalsContact CZ2-CG 3.48Å; W195-H279 AromaticContact CZ2-ND1 3.87Å; W195-H279 AromaticContact CZ2-NE2 3.41Å; W195-H279 WeakPolarHBondContact CZ2-NE2 3.4Å; W195-H279 PolarHBondContact N-O 3.31Å; W195-H279 VanDerWaalsContact NE1-CB 3.33Å; W195-H279 AromaticContact NE1-CG 3.53Å; W195-H279 AromaticContact NE1-ND1 3.88Å; W195-H279 PolarHBondContact O-N 3.39Å
280N98.1Very high97.4Very high5 Ų59.7 Ų9.73%0.0275%0.049CC..EExtended strand (participates in β ladder)trans-105.4135.2162-67.684.9000108.7L159 N160 Y171 F173 D188 V189 S192 Y193L159-N280 HydrophobicContact CD2-CB 4.33Å; N160-N280 PolarHBondContact ND2-O 3.18Å; N160-N280 VanDerWaalsContact ND2-O 3.1Å; Y171-N280 HydrophobicContact CD1-CB 4.15Å; Y171-N280 PolarHBondContact O-N 3.41Å; F173-N280 WeakPolarHBondContact CE2-OD1 3.28Å; D188-N280 WeakPolarHBondContact CB-ND2 3.49Å; D188-N280 PolarHBondContact OD1-ND2 3.14Å; V189-N280 HydrophobicContact CG1-CB 4.11Å; S192-N280 WeakPolarHBondContact OG-CB 3.32Å; S192-N280 PolarHBondContact OG-ND2 3.22Å; S192-N280 VanDerWaalsContact OG-ND2 3.07Å; Y193-N280 CarbonylContact O-C 3.45Å; Y193-N280 VanDerWaalsContact O-CA 3.31Å; Y193-N280 WeakPolarHBondContact O-CA 3.34Å
281W97.7Very high97.3Very high0 Ų010.1 Ų10.10%05%0.051CC..EExtended strand (participates in β ladder)trans-147.8158.4177.784.299.5000114.5L46 F154 D157 S192 Y193 W195 F259L46-W281 HydrophobicContact CD2-CZ2 4.05Å; F154-W281 HydrophobicContact CB-CH2 4.34Å; F154-W281 HydrophobicContact CB-CZ2 4.31Å; F154-W281 AromaticContact CD1-CH2 3.39Å; F154-W281 HydrophobicContact CD1-CH2 3.39Å; F154-W281 AromaticContact CD1-CZ2 3.64Å; F154-W281 HydrophobicContact CD1-CZ2 3.64Å; F154-W281 HydrophobicContact CD1-CZ3 4.24Å; F154-W281 AromaticContact CE1-CH2 3.98Å; F154-W281 HydrophobicContact CE1-CH2 3.98Å; F154-W281 HydrophobicContact CE1-CZ2 4.47Å; F154-W281 HydrophobicContact CG-CH2 4.11Å; F154-W281 HydrophobicContact CG-CZ2 4.38Å; D157-W281 HydrophobicContact CB-CB 3.96Å; D157-W281 HydrophobicContact CB-CG 4.48Å; D157-W281 WeakPolarHBondContact OD1-CB 3.11Å; S192-W281 WeakPolarHBondContact CB-O 3.45Å; Y193-W281 VanDerWaalsContact CB-CD2 3.48Å; Y193-W281 VanDerWaalsContact CB-CE2 3.42Å; Y193-W281 WeakPolarHBondContact CB-O 3.26Å; Y193-W281 HydrophobicContact CD2-CD2 4.48Å; Y193-W281 AromaticContact CD2-CE2 3.74Å; Y193-W281 AromaticContact CD2-CZ2 3.94Å; Y193-W281 HydrophobicContact CD2-CZ2 3.94Å; Y193-W281 AromaticContact CD2-NE1 3.59Å; Y193-W281 HydrophobicContact CG-CD2 4.43Å; Y193-W281 AromaticContact CG-CE2 3.93Å; Y193-W281 HydrophobicContact CG-CH2 4.4Å; Y193-W281 AromaticContact CG-CZ2 3.93Å; Y193-W281 HydrophobicContact CG-CZ2 3.93Å; Y193-W281 PolarHBondContact N-O 3.13Å; Y193-W281 PolarHBondContact O-N 3.14Å; W195-W281 HydrophobicContact CB-CH2 4.15Å; W195-W281 HydrophobicContact CB-CZ3 3.76Å; W195-W281 AromaticContact CD1-CE3 3.66Å; W195-W281 AromaticContact CD1-CH2 3.86Å; W195-W281 AromaticContact CD1-CZ3 3.25Å; W195-W281 HydrophobicContact CG-CH2 4.43Å; W195-W281 AromaticContact CG-CZ3 3.87Å; W195-W281 HydrophobicContact CG-CZ3 3.87Å; F259-W281 AromaticContact CD2-CH2 3.44Å; F259-W281 HydrophobicContact CD2-CH2 3.44Å; F259-W281 VanDerWaalsContact CD2-CH2 3.44Å; F259-W281 HydrophobicContact CD2-CZ2 4.12Å; F259-W281 HydrophobicContact CD2-CZ3 4.33Å; F259-W281 AromaticContact CE2-CH2 3.47Å; F259-W281 HydrophobicContact CE2-CH2 3.47Å; F259-W281 VanDerWaalsContact CE2-CH2 3.47Å; F259-W281 AromaticContact CE2-CZ2 3.74Å; F259-W281 HydrophobicContact CE2-CZ2 3.74Å; F259-W281 HydrophobicContact CE2-CZ3 4.42Å
282L97.9Very high97.2Very high0 Ų011.9 Ų11.90%06%0.058CC..  trans-123.7154.1176.1-68.7159.2000109.7W158 L159 F190 N286 M290 F337W158-L282 VanDerWaalsContact CB-O 3.29Å; W158-L282 WeakPolarHBondContact CB-O 3.45Å; W158-L282 PolarHBondContact N-O 3.49Å; L159-L282 HydrophobicContact CB-CB 4.48Å; L159-L282 HydrophobicContact CB-CD1 4.31Å; L159-L282 HydrophobicContact CD1-CD1 4.27Å; F190-L282 HydrophobicContact CB-CD1 4.3Å; L282-N286 WeakPolarHBondContact CA-OD1 3.29Å; L282-N286 WeakPolarHBondContact CD2-OD1 3.41Å; L282-M290 HydrophobicContact CD1-CE 3.94Å; L282-M290 HydrophobicContact CD1-CG 4.36Å; L282-M290 HydrophobicContact CD1-SD 3.26Å; L282-M290 WeakPolarHBondContact CD1-SD 3.15Å; L282-M290 HydrophobicContact CD2-CB 4.07Å; L282-M290 HydrophobicContact CD2-SD 4.4Å; L282-M290 HydrophobicContact CG-SD 4.43Å; L282-F337 HydrophobicContact CB-CZ 4.48Å; L282-F337 HydrophobicContact CD1-CZ 4.38Å
283N97.3Very high97.2Very high1 Ų110.5 Ų10.51%0.0055%0.051CC..  trans-155.1-171.4168.263.829000111.9S156 W158 C285 N286 I287S156-N283 WeakPolarHBondContact O-CB 3.42Å; S156-N283 WeakPolarHBondContact OG-CB 3.35Å; W158-N283 HydrophobicContact CD2-CB 4.44Å; W158-N283 HydrophobicContact CG-CB 4.44Å; N283-C285 PolarHBondContact O-N 3.14Å; N283-C285 WeakPolarHBondContact OD1-CB 3.38Å; N283-C285 PolarHBondContact OD1-N 3.36Å; N283-N286 PolarHBondContact N-OD1 3.03Å; N283-N286 PolarHBondContact O-N 3.46Å; N283-N286 VanDerWaalsContact O-N 3.11Å; N283-N286 PolarHBondContact O-OD1 3.41Å; N283-N286 VanDerWaalsContact O-OD1 3.05Å; N283-I287 PolarHBondContact O-N 2.9Å
284G95.8Very high97.1Very high0 Ų09.8 Ų9.80%05%0.047CC..THydrogen-bonded Turntrans-57.3-19.7-179.600000114.7W158 R382W158-G284 VanDerWaalsContact CH2-CA 3.4Å; W158-G284 VanDerWaalsContact CH2-N 3.33Å; G284-R382 VanDerWaalsContact O-CG 3.3Å; G284-R382 WeakPolarHBondContact O-CG 3.35Å; G284-R382 PolarHBondContact O-NE 3.04Å
285C95.1Very high97.1Very high5 Ų512.1 Ų12.13%0.0346%0.058CC..THydrogen-bonded Turntrans-78.1-27.3179-61.10000114.3F42 L46 Y193 N283F42-C285 WeakPolarHBondContact CE2-SG 3.45Å; F42-C285 VanDerWaalsContact CZ-SG 3.54Å; L46-C285 WeakPolarHBondContact O-CB 3.37Å; Y193-C285 HydrophobicContact CE2-CB 4.23Å; N283-C285 PolarHBondContact O-N 3.14Å; N283-C285 WeakPolarHBondContact OD1-CB 3.38Å; N283-C285 PolarHBondContact OD1-N 3.36Å
286N95.7Very high97Very high0 Ų016 Ų160%08%0.079CC..THydrogen-bonded Turntrans-127.93.6-172.966.60.9000114.1Y193 L282 N283 D288 I289 M290Y193-N286 WeakPolarHBondContact CD2-ND2 3.36Å; Y193-N286 HydrophobicContact CE1-CB 4.49Å; Y193-N286 HydrophobicContact CE2-CB 4.09Å; Y193-N286 VanDerWaalsContact CE2-ND2 3.29Å; Y193-N286 WeakPolarHBondContact CE2-ND2 3.44Å; Y193-N286 VanDerWaalsContact CG-ND2 3.28Å; Y193-N286 PolarHBondContact N-ND2 3.29Å; L282-N286 WeakPolarHBondContact CA-OD1 3.29Å; L282-N286 WeakPolarHBondContact CD2-OD1 3.41Å; N283-N286 PolarHBondContact N-OD1 3.03Å; N283-N286 PolarHBondContact O-N 3.46Å; N283-N286 VanDerWaalsContact O-N 3.11Å; N283-N286 PolarHBondContact O-OD1 3.41Å; N283-N286 VanDerWaalsContact O-OD1 3.05Å; N286-D288 PolarHBondContact O-N 3.01Å; N286-I289 HydrophobicContact CB-CD1 4.11Å; N286-I289 WeakPolarHBondContact O-CA 3.37Å; N286-I289 VanDerWaalsContact O-CB 3.31Å; N286-I289 WeakPolarHBondContact O-CB 3.26Å; N286-I289 PolarHBondContact O-N 3.33Å; N286-M290 PolarHBondContact O-N 3.22Å
287I96.9Very high97Very high0 Ų018.6 Ų18.60%09%0.091CC..Hα-helixtrans-60.4-30.2178.4-168.862.3000113.6W158 N283 I289 M290 W291 F334 F337 L338 R382 I386W158-I287 HydrophobicContact CE3-CD1 4.34Å; W158-I287 HydrophobicContact CE3-CG1 4.48Å; W158-I287 HydrophobicContact CZ3-CB 3.96Å; W158-I287 HydrophobicContact CZ3-CD1 4.3Å; W158-I287 HydrophobicContact CZ3-CG1 3.95Å; W158-I287 HydrophobicContact CZ3-CG2 4.19Å; N283-I287 PolarHBondContact O-N 2.9Å; I287-I289 VanDerWaalsContact C-N 3.3Å; I287-I289 PolarHBondContact O-N 3.5Å; I287-M290 HydrophobicContact CD1-SD 4.03Å; I287-M290 PolarHBondContact O-N 3.06Å; I287-W291 PolarHBondContact O-N 3.46Å; I287-F334 HydrophobicContact CD1-CE2 3.69Å; I287-F334 HydrophobicContact CD1-CZ 3.94Å; I287-F334 HydrophobicContact CG1-CZ 4.31Å; I287-F337 HydrophobicContact CD1-CD1 4.39Å; I287-F337 HydrophobicContact CD1-CE1 3.56Å; I287-F337 HydrophobicContact CD1-CZ 4.3Å; I287-L338 HydrophobicContact CD1-CD2 4.22Å; I287-L338 HydrophobicContact CG1-CD2 4.05Å; I287-R382 HydrophobicContact CG2-CB 4.35Å; I287-I386 HydrophobicContact CG1-CG1 4.09Å; I287-I386 HydrophobicContact CG2-CD1 4.32Å; I287-I386 HydrophobicContact CG2-CG1 3.77Å
288D94.8Very high96.9Very high23 Ų2318.6 Ų18.612%0.1239%0.091CC..Hα-helixtrans-68.7-29.8173.359.4-70000112.5R17 N286 W291 Q292 R382 I386R17-D288 IonicContact CZ-OD2 3.78Å; R17-D288 IonicContact NH2-OD2 3.33Å; R17-D288 PolarHBondContact NH2-OD2 3.49Å; N286-D288 PolarHBondContact O-N 3.01Å; D288-W291 PolarHBondContact O-N 3.3Å; D288-Q292 WeakPolarHBondContact O-CB 3.44Å; D288-Q292 PolarHBondContact O-N 3.4Å; D288-R382 IonicContact OD1-NH2 2.72Å; D288-R382 PolarHBondContact OD1-NH2 3.07Å; D288-I386 HydrophobicContact CB-CD1 4.05Å
289I95.4Very high96.9Very high25 Ų2520.1 Ų20.113%0.12810%0.102CC..Hα-helixtrans-69.5-45.8175.6-59.3169.8000109.4R191 S262 N286 I287 W291 Q292 F293R191-I289 HydrophobicContact CB-CG2 3.66Å; R191-I289 HydrophobicContact CG-CG2 4.23Å; S262-I289 WeakPolarHBondContact OG-CD1 3.31Å; N286-I289 HydrophobicContact CB-CD1 4.11Å; N286-I289 WeakPolarHBondContact O-CA 3.37Å; N286-I289 VanDerWaalsContact O-CB 3.31Å; N286-I289 WeakPolarHBondContact O-CB 3.26Å; N286-I289 PolarHBondContact O-N 3.33Å; I287-I289 VanDerWaalsContact C-N 3.3Å; I287-I289 PolarHBondContact O-N 3.5Å; I289-W291 VanDerWaalsContact C-N 3.34Å; I289-W291 PolarHBondContact O-N 3.32Å; I289-Q292 PolarHBondContact O-N 3.14Å; I289-F293 WeakPolarHBondContact O-CB 3.47Å; I289-F293 PolarHBondContact O-N 3.39Å
290M97.2Very high96.8Very high1 Ų122.8 Ų22.81%0.00512%0.121CC..Hα-helixtrans-58.7-46.5173.2178.9-173.1-163.900111.1F190 L282 N286 I287 Q292 F293 L294 I329 F334F190-M290 HydrophobicContact CB-CE 4.09Å; F190-M290 HydrophobicContact CB-CG 4.05Å; F190-M290 HydrophobicContact CB-SD 4.42Å; F190-M290 HydrophobicContact CD1-CE 3.68Å; F190-M290 HydrophobicContact CD2-CE 4.05Å; F190-M290 HydrophobicContact CE1-CE 4.09Å; F190-M290 HydrophobicContact CE2-CE 4.44Å; F190-M290 HydrophobicContact CG-CE 3.67Å; F190-M290 HydrophobicContact CZ-CE 4.47Å; L282-M290 HydrophobicContact CD1-CE 3.94Å; L282-M290 HydrophobicContact CD1-CG 4.36Å; L282-M290 HydrophobicContact CD1-SD 3.26Å; L282-M290 WeakPolarHBondContact CD1-SD 3.15Å; L282-M290 HydrophobicContact CD2-CB 4.07Å; L282-M290 HydrophobicContact CD2-SD 4.4Å; L282-M290 HydrophobicContact CG-SD 4.43Å; N286-M290 PolarHBondContact O-N 3.22Å; I287-M290 HydrophobicContact CD1-SD 4.03Å; I287-M290 PolarHBondContact O-N 3.06Å; M290-Q292 VanDerWaalsContact C-N 3.31Å; M290-Q292 PolarHBondContact O-N 3.3Å; M290-F293 WeakPolarHBondContact O-CB 3.45Å; M290-F293 PolarHBondContact O-N 2.89Å; M290-F293 VanDerWaalsContact O-N 3.1Å; M290-L294 HydrophobicContact CE-CD1 4.24Å; M290-L294 HydrophobicContact CG-CD1 4.15Å; M290-L294 HydrophobicContact CG-CG 4.31Å; M290-L294 WeakPolarHBondContact O-CG 3.43Å; M290-L294 PolarHBondContact O-N 3.04Å; M290-I329 HydrophobicContact CE-CD1 3.33Å; M290-I329 HydrophobicContact CE-CG1 4.43Å; M290-F334 HydrophobicContact CE-CD2 3.95Å; M290-F334 HydrophobicContact CE-CE2 4.19Å; M290-F334 HydrophobicContact CG-CE2 4.13Å; M290-F334 HydrophobicContact SD-CD2 3.91Å; M290-F334 HydrophobicContact SD-CE2 3.51Å; M290-F334 VanDerWaalsContact SD-CE2 3.51Å
291W97.4Very high96.8Very high13 Ų1323.1 Ų23.15%0.04912%0.123CC..Hα-helixtrans-61-40.2179177.4-128.2000112.5I287 D288 I289 L294 Q295 Y331 F334 I386 L390 N393I287-W291 PolarHBondContact O-N 3.46Å; D288-W291 PolarHBondContact O-N 3.3Å; I289-W291 VanDerWaalsContact C-N 3.34Å; I289-W291 PolarHBondContact O-N 3.32Å; W291-L294 HydrophobicContact CE3-CB 4.32Å; W291-L294 HydrophobicContact CE3-CD1 4.4Å; W291-Q295 HydrophobicContact CD2-CG 4.2Å; W291-Q295 VanDerWaalsContact CE2-CD 3.47Å; W291-Q295 HydrophobicContact CE3-CG 4.39Å; W291-Q295 HydrophobicContact CH2-CG 3.94Å; W291-Q295 HydrophobicContact CZ2-CG 3.73Å; W291-Q295 HydrophobicContact CZ3-CG 4.27Å; W291-Q295 VanDerWaalsContact NE1-NE2 3.17Å; W291-Q295 WeakPolarHBondContact O-CG 3.26Å; W291-Q295 PolarHBondContact O-N 2.89Å; W291-Q295 VanDerWaalsContact O-N 3.14Å; W291-Q295 PolarHBondContact O-NE2 3.31Å; W291-Y331 HydrophobicContact CH2-CD1 4.35Å; W291-Y331 HydrophobicContact CH2-CD2 4.09Å; W291-Y331 AromaticContact CH2-CE1 3.94Å; W291-Y331 HydrophobicContact CH2-CE1 3.94Å; W291-Y331 AromaticContact CH2-CE2 3.67Å; W291-Y331 HydrophobicContact CH2-CE2 3.67Å; W291-Y331 HydrophobicContact CH2-CG 4.41Å; W291-Y331 AromaticContact CH2-CZ 3.58Å; W291-Y331 AromaticContact CZ3-CD1 3.87Å; W291-Y331 HydrophobicContact CZ3-CD1 3.87Å; W291-Y331 HydrophobicContact CZ3-CD2 4.38Å; W291-Y331 AromaticContact CZ3-CE1 3.61Å; W291-Y331 HydrophobicContact CZ3-CE1 3.61Å; W291-Y331 HydrophobicContact CZ3-CE2 4.16Å; W291-Y331 HydrophobicContact CZ3-CG 4.25Å; W291-Y331 AromaticContact CZ3-CZ 3.76Å; W291-F334 HydrophobicContact CB-CE1 4.2Å; W291-F334 HydrophobicContact CB-CZ 4.05Å; W291-F334 AromaticContact CD2-CE1 3.95Å; W291-F334 HydrophobicContact CD2-CE1 3.95Å; W291-F334 AromaticContact CE3-CD1 3.65Å; W291-F334 HydrophobicContact CE3-CD1 3.65Å; W291-F334 AromaticContact CE3-CE1 3.38Å; W291-F334 HydrophobicContact CE3-CE1 3.38Å; W291-F334 HydrophobicContact CE3-CZ 4.25Å; W291-F334 HydrophobicContact CG-CE1 4.31Å; W291-F334 AromaticContact CZ3-CD1 3.95Å; W291-F334 HydrophobicContact CZ3-CD1 3.95Å; W291-F334 HydrophobicContact CZ3-CE1 4.12Å; W291-I386 HydrophobicContact CB-CD1 4.47Å; W291-I386 HydrophobicContact CB-CG2 4.45Å; W291-I386 HydrophobicContact CG-CG2 4.42Å; W291-L390 HydrophobicContact CE3-CD1 4.47Å; W291-L390 HydrophobicContact CH2-CD1 3.44Å; W291-L390 VanDerWaalsContact CH2-CD1 3.44Å; W291-L390 HydrophobicContact CZ2-CD1 3.99Å; W291-L390 HydrophobicContact CZ3-CD1 3.72Å; W291-N393 HydrophobicContact CH2-CB 4.4Å; W291-N393 HydrophobicContact CZ2-CB 3.94Å
292Q96.4Very high96.7Very high94 Ų9424.2 Ų24.244%0.43913%0.128SC..Hα-helixtrans-64.8-40.6173.4-174.561.961.600112.2D288 I289 M290 Q295 N296D288-Q292 WeakPolarHBondContact O-CB 3.44Å; D288-Q292 PolarHBondContact O-N 3.4Å; I289-Q292 PolarHBondContact O-N 3.14Å; M290-Q292 VanDerWaalsContact C-N 3.31Å; M290-Q292 PolarHBondContact O-N 3.3Å; Q292-Q295 PolarHBondContact O-N 3.1Å; Q292-N296 PolarHBondContact NE2-OD1 3.32Å; Q292-N296 VanDerWaalsContact O-CG 3.23Å; Q292-N296 PolarHBondContact O-N 3.34Å; Q292-N296 PolarHBondContact O-OD1 2.77Å
293F97.1Very high96.7Very high31 Ų3131.2 Ų31.214%0.13616%0.158CC..Hα-helixtrans-58.5-51.3175.4166-101.4000111F190 R191 I289 M290 Q295 N296 E297F190-F293 HydrophobicContact CD1-CD1 4.31Å; F190-F293 AromaticContact CD1-CE1 3.95Å; F190-F293 HydrophobicContact CD1-CE1 3.95Å; R191-F293 HydrophobicContact CG-CB 4.05Å; R191-F293 HydrophobicContact CG-CD2 4.1Å; R191-F293 HydrophobicContact CG-CG 4.17Å; I289-F293 WeakPolarHBondContact O-CB 3.47Å; I289-F293 PolarHBondContact O-N 3.39Å; M290-F293 WeakPolarHBondContact O-CB 3.45Å; M290-F293 PolarHBondContact O-N 2.89Å; M290-F293 VanDerWaalsContact O-N 3.1Å; F293-Q295 VanDerWaalsContact C-N 3.3Å; F293-Q295 PolarHBondContact O-N 2.95Å; F293-N296 WeakPolarHBondContact O-CB 3.49Å; F293-N296 PolarHBondContact O-N 3.35Å; F293-E297 HydrophobicContact CD1-CG 4.28Å; F293-E297 HydrophobicContact CD2-CG 4.06Å; F293-E297 HydrophobicContact CE1-CG 3.81Å; F293-E297 HydrophobicContact CE2-CG 3.56Å; F293-E297 WeakPolarHBondContact CE2-OE1 3.29Å; F293-E297 HydrophobicContact CG-CG 4.4Å; F293-E297 HydrophobicContact CZ-CG 3.43Å; F293-E297 VanDerWaalsContact CZ-CG 3.43Å; F293-E297 WeakPolarHBondContact O-CG 3.41Å; F293-E297 PolarHBondContact O-N 2.99Å
294L98.1Very high96.6Very high0 Ų038.5 Ų38.50%019%0.193CC..Hα-helixtrans-58.7-39.5179.1-67.5177.2000112.5F190 M290 W291 N296 E297 L298 M323 I329 Y331 F334F190-L294 HydrophobicContact CD1-CD2 4.5Å; M290-L294 HydrophobicContact CE-CD1 4.24Å; M290-L294 HydrophobicContact CG-CD1 4.15Å; M290-L294 HydrophobicContact CG-CG 4.31Å; M290-L294 WeakPolarHBondContact O-CG 3.43Å; M290-L294 PolarHBondContact O-N 3.04Å; W291-L294 HydrophobicContact CE3-CB 4.32Å; W291-L294 HydrophobicContact CE3-CD1 4.4Å; L294-N296 VanDerWaalsContact C-N 3.35Å; L294-N296 PolarHBondContact O-N 3.43Å; L294-E297 PolarHBondContact O-N 3.41Å; L294-L298 PolarHBondContact O-N 2.95Å; L294-M323 HydrophobicContact CB-CE 3.67Å; L294-M323 HydrophobicContact CD2-CE 3.58Å; L294-M323 HydrophobicContact CG-CE 4.18Å; L294-M323 WeakPolarHBondContact O-CE 3.31Å; L294-I329 HydrophobicContact CD1-CD1 4.16Å; L294-I329 HydrophobicContact CD2-CD1 4.33Å; L294-I329 HydrophobicContact CD2-CG1 3.98Å; L294-Y331 HydrophobicContact CB-CE1 4.11Å; L294-F334 HydrophobicContact CD1-CB 3.82Å; L294-F334 HydrophobicContact CD1-CD1 3.99Å; L294-F334 HydrophobicContact CD1-CD2 3.51Å; L294-F334 HydrophobicContact CD1-CE1 4.45Å; L294-F334 HydrophobicContact CD1-CE2 4.03Å; L294-F334 HydrophobicContact CD1-CG 3.48Å; L294-F334 VanDerWaalsContact CD1-CG 3.48Å; L294-F334 HydrophobicContact CD1-CZ 4.46Å
295Q98.1Very high96.6Very high48 Ų4839.3 Ų39.322%0.22420%0.197CC..Hα-helixtrans-64.2-38.6174.4-71.4169.8102.900112.9W291 Q292 F293 S299 Y331 N393W291-Q295 HydrophobicContact CD2-CG 4.2Å; W291-Q295 VanDerWaalsContact CE2-CD 3.47Å; W291-Q295 HydrophobicContact CE3-CG 4.39Å; W291-Q295 HydrophobicContact CH2-CG 3.94Å; W291-Q295 HydrophobicContact CZ2-CG 3.73Å; W291-Q295 HydrophobicContact CZ3-CG 4.27Å; W291-Q295 VanDerWaalsContact NE1-NE2 3.17Å; W291-Q295 WeakPolarHBondContact O-CG 3.26Å; W291-Q295 PolarHBondContact O-N 2.89Å; W291-Q295 VanDerWaalsContact O-N 3.14Å; W291-Q295 PolarHBondContact O-NE2 3.31Å; Q292-Q295 PolarHBondContact O-N 3.1Å; F293-Q295 VanDerWaalsContact C-N 3.3Å; F293-Q295 PolarHBondContact O-N 2.95Å; Q295-S299 WeakPolarHBondContact O-CB 3.44Å; Q295-S299 PolarHBondContact O-N 3.48Å; Q295-Y331 WeakPolarHBondContact CA-OH 3.45Å; Q295-Y331 WeakPolarHBondContact CG-OH 3.29Å; Q295-N393 PolarHBondContact OE1-ND2 2.83Å
296N96.8Very high96.6Very high82 Ų8243 Ų4344%0.43921%0.213SC..Hα-helixtrans-69.8-39177.2-66.6-10.5000111.7Q292 F293 L294 S299 S300Q292-N296 PolarHBondContact NE2-OD1 3.32Å; Q292-N296 VanDerWaalsContact O-CG 3.23Å; Q292-N296 PolarHBondContact O-N 3.34Å; Q292-N296 PolarHBondContact O-OD1 2.77Å; F293-N296 WeakPolarHBondContact O-CB 3.49Å; F293-N296 PolarHBondContact O-N 3.35Å; L294-N296 VanDerWaalsContact C-N 3.35Å; L294-N296 PolarHBondContact O-N 3.43Å; N296-S299 PolarHBondContact O-N 3.19Å; N296-S300 WeakPolarHBondContact O-CB 3.23Å; N296-S300 PolarHBondContact O-N 3.36Å; N296-S300 PolarHBondContact O-OG 3.24Å
297E97.3Very high96.6Very high54 Ų5450.2 Ų50.225%0.25225%0.247SC..Hα-helixtrans-62.7-48.4175-68-57.6109.400110.6F293 L294 S299 S300 V301 M323F293-E297 HydrophobicContact CD1-CG 4.28Å; F293-E297 HydrophobicContact CD2-CG 4.06Å; F293-E297 HydrophobicContact CE1-CG 3.81Å; F293-E297 HydrophobicContact CE2-CG 3.56Å; F293-E297 WeakPolarHBondContact CE2-OE1 3.29Å; F293-E297 HydrophobicContact CG-CG 4.4Å; F293-E297 HydrophobicContact CZ-CG 3.43Å; F293-E297 VanDerWaalsContact CZ-CG 3.43Å; F293-E297 WeakPolarHBondContact O-CG 3.41Å; F293-E297 PolarHBondContact O-N 2.99Å; L294-E297 PolarHBondContact O-N 3.41Å; E297-S299 VanDerWaalsContact C-N 3.33Å; E297-S299 PolarHBondContact O-N 3.44Å; E297-S300 PolarHBondContact O-N 2.52Å; E297-S300 VanDerWaalsContact O-N 3.13Å; E297-V301 WeakPolarHBondContact O-CG2 3.34Å; E297-V301 PolarHBondContact O-N 3.27Å; E297-M323 HydrophobicContact CB-CE 4.18Å; E297-M323 HydrophobicContact CB-CG 4.47Å
298L97.6Very high96.5Very high1 Ų155.8 Ų55.81%0.00527%0.268CS..Hα-helixtrans-60-44.3176-17562.5000111.4L294 S300 V301 Q302 C319 M323 Y331 D395L294-L298 PolarHBondContact O-N 2.95Å; L298-S300 VanDerWaalsContact C-N 3.27Å; L298-S300 PolarHBondContact O-N 3.5Å; L298-V301 PolarHBondContact O-N 3.33Å; L298-Q302 HydrophobicContact CD1-CG 4.43Å; L298-Q302 HydrophobicContact CG-CG 4.33Å; L298-Q302 WeakPolarHBondContact O-CB 3.08Å; L298-Q302 WeakPolarHBondContact O-CG 3.35Å; L298-Q302 PolarHBondContact O-N 3.26Å; L298-C319 HydrophobicContact CD1-CB 3.72Å; L298-M323 HydrophobicContact CB-CE 4.46Å; L298-M323 HydrophobicContact CB-SD 3.74Å; L298-M323 HydrophobicContact CD1-CB 4.48Å; L298-M323 HydrophobicContact CD1-SD 4Å; L298-M323 HydrophobicContact CG-SD 4.37Å; L298-Y331 HydrophobicContact CB-CE1 4.3Å; L298-Y331 HydrophobicContact CD2-CD2 4.3Å; L298-Y331 HydrophobicContact CD2-CE1 4.09Å; L298-Y331 HydrophobicContact CD2-CE2 3.57Å; L298-Y331 VanDerWaalsContact CD2-CZ 3.44Å; L298-Y331 WeakPolarHBondContact CD2-OH 3.42Å; L298-D395 HydrophobicContact CD2-CB 3.66Å
299S97.6Very high96.3Very high39 Ų3959 Ų5927%0.27328%0.279SS..Hα-helixtrans-61.3-36.8177.3-175.30000112.2Q295 N296 E297 K303Q295-S299 WeakPolarHBondContact O-CB 3.44Å; Q295-S299 PolarHBondContact O-N 3.48Å; N296-S299 PolarHBondContact O-N 3.19Å; E297-S299 VanDerWaalsContact C-N 3.33Å; E297-S299 PolarHBondContact O-N 3.44Å; S299-K303 VanDerWaalsContact O-CG 3.26Å; S299-K303 WeakPolarHBondContact O-CG 3.06Å; S299-K303 PolarHBondContact O-N 3.01Å
300S95.9Very high96.2Very high56 Ų5665.1 Ų65.139%0.39231%0.312SS..Hα-helixtrans-67.7-48.8177.3-57.10000110.4N296 E297 L298 Q302 K303 E304N296-S300 WeakPolarHBondContact O-CB 3.23Å; N296-S300 PolarHBondContact O-N 3.36Å; N296-S300 PolarHBondContact O-OG 3.24Å; E297-S300 PolarHBondContact O-N 2.52Å; E297-S300 VanDerWaalsContact O-N 3.13Å; L298-S300 VanDerWaalsContact C-N 3.27Å; L298-S300 PolarHBondContact O-N 3.5Å; S300-Q302 VanDerWaalsContact C-N 3.33Å; S300-Q302 PolarHBondContact O-N 2.83Å; S300-K303 PolarHBondContact O-N 3.38Å; S300-K303 VanDerWaalsContact O-N 3.15Å; S300-E304 WeakPolarHBondContact O-CG 3.38Å; S300-E304 PolarHBondContact O-N 3.08Å
301V97Very high96Very high12 Ų1270.4 Ų70.47%0.07334%0.344CS..Hα-helixtrans-55.6-48.4174.11710000111.4E297 L298 K303 E304 I305 C319 I322 M323E297-V301 WeakPolarHBondContact O-CG2 3.34Å; E297-V301 PolarHBondContact O-N 3.27Å; L298-V301 PolarHBondContact O-N 3.33Å; V301-K303 VanDerWaalsContact C-N 3.31Å; V301-K303 PolarHBondContact O-N 3.27Å; V301-E304 PolarHBondContact O-N 3.05Å; V301-I305 WeakPolarHBondContact O-CG1 3.48Å; V301-I305 PolarHBondContact O-N 2.89Å; V301-C319 HydrophobicContact CG1-CB 4.09Å; V301-I322 HydrophobicContact CB-CG2 4.48Å; V301-I322 HydrophobicContact CG1-CB 3.75Å; V301-I322 HydrophobicContact CG1-CD1 4.33Å; V301-I322 HydrophobicContact CG1-CG2 3.74Å; V301-I322 HydrophobicContact CG2-CG2 3.91Å; V301-M323 HydrophobicContact CG2-CB 4.28Å
302Q96.7Very high95.6Very high23 Ų2372.5 Ų72.511%0.10736%0.355CS..Hα-helixtrans-56.2-44.4178.1-76.8176.3-12.400111.9L298 S300 I305 E306 W315 C319 D395L298-Q302 HydrophobicContact CD1-CG 4.43Å; L298-Q302 HydrophobicContact CG-CG 4.33Å; L298-Q302 WeakPolarHBondContact O-CB 3.08Å; L298-Q302 WeakPolarHBondContact O-CG 3.35Å; L298-Q302 PolarHBondContact O-N 3.26Å; S300-Q302 VanDerWaalsContact C-N 3.33Å; S300-Q302 PolarHBondContact O-N 2.83Å; Q302-I305 CarbonylContact O-C 3.29Å; Q302-I305 PolarHBondContact O-N 2.82Å; Q302-E306 WeakPolarHBondContact O-CA 3.32Å; Q302-E306 WeakPolarHBondContact O-CB 3.35Å; Q302-E306 PolarHBondContact O-N 2.78Å; Q302-W315 HydrophobicContact CB-CH2 3.63Å; Q302-W315 HydrophobicContact CB-CZ2 4.1Å; Q302-W315 HydrophobicContact CG-CH2 3.51Å; Q302-W315 HydrophobicContact CG-CZ2 4.25Å; Q302-W315 HydrophobicContact CG-CZ3 4.01Å; Q302-W315 WeakPolarHBondContact O-CZ2 3.22Å; Q302-C319 HydrophobicContact CG-CB 4.24Å; Q302-D395 VanDerWaalsContact NE2-CG 3.32Å; Q302-D395 PolarHBondContact NE2-OD1 3.3Å; Q302-D395 VanDerWaalsContact NE2-OD1 3.15Å; Q302-D395 PolarHBondContact NE2-OD2 3.12Å
303K96.6Very high95.1Very high147 Ų14776.4 Ų76.464%0.63938%0.379SS*.Hα-helixtrans-64.4-43.6177.3-73.2167.3-173.8169.30112.3S299 S300 V301 I305 E306S299-K303 VanDerWaalsContact O-CG 3.26Å; S299-K303 WeakPolarHBondContact O-CG 3.06Å; S299-K303 PolarHBondContact O-N 3.01Å; S300-K303 PolarHBondContact O-N 3.38Å; S300-K303 VanDerWaalsContact O-N 3.15Å; V301-K303 VanDerWaalsContact C-N 3.31Å; V301-K303 PolarHBondContact O-N 3.27Å; K303-I305 PolarHBondContact O-N 3.29Å; K303-E306 PolarHBondContact O-N 3.42Å
304E95.6Very high94.8Very high155 Ų15577.7 Ų77.772%0.72439%0.392SS*.Hα-helixtrans-62-33.4179.7-70-56.6138.200112.1S300 V301S300-E304 WeakPolarHBondContact O-CG 3.38Å; S300-E304 PolarHBondContact O-N 3.08Å; V301-E304 PolarHBondContact O-N 3.05Å
305I95.1Very high94.6Very high17 Ų1777.8 Ų77.89%0.08739%0.392CS..THydrogen-bonded Turntrans-110.816.3-175.478.3152.5000114V301 Q302 K303 E307 W308 W315 I322V301-I305 WeakPolarHBondContact O-CG1 3.48Å; V301-I305 PolarHBondContact O-N 2.89Å; Q302-I305 CarbonylContact O-C 3.29Å; Q302-I305 PolarHBondContact O-N 2.82Å; K303-I305 PolarHBondContact O-N 3.29Å; I305-E307 VanDerWaalsContact C-N 3.28Å; I305-E307 PolarHBondContact O-N 3.16Å; I305-W308 HydrophobicContact CB-CE3 3.6Å; I305-W308 HydrophobicContact CB-CZ3 3.67Å; I305-W308 HydrophobicContact CG2-CE3 4.22Å; I305-W308 HydrophobicContact CG2-CZ3 3.81Å; I305-W308 PolarHBondContact O-N 3.36Å; I305-W315 HydrophobicContact CG1-CZ2 4.18Å; I305-W315 PolarHBondContact O-NE1 3.19Å; I305-I322 HydrophobicContact CD1-CD1 3.97Å; I305-I322 HydrophobicContact CG2-CD1 3.92Å
306E96.1Very high94.4Very high82 Ų8278.2 Ų78.238%0.38339%0.394SS..G310 helixtrans-62.3-32.9-171.6-176.164.8-158.800112.6Q302 K303 W308 R309 W315Q302-E306 WeakPolarHBondContact O-CA 3.32Å; Q302-E306 WeakPolarHBondContact O-CB 3.35Å; Q302-E306 PolarHBondContact O-N 2.78Å; K303-E306 PolarHBondContact O-N 3.42Å; E306-W308 PolarHBondContact O-N 2.92Å; E306-W308 VanDerWaalsContact O-N 3.11Å; E306-R309 WeakPolarHBondContact O-CB 3.29Å; E306-R309 PolarHBondContact O-N 3.1Å; E306-R309 WeakPolarHBondContact OE1-CD 3.47Å; E306-R309 IonicContact OE1-CZ 3.42Å; E306-R309 IonicContact OE1-NE 2.75Å; E306-R309 PolarHBondContact OE1-NE 2.88Å; E306-R309 IonicContact OE1-NH1 3.38Å; E306-R309 IonicContact OE2-CZ 2.72Å; E306-R309 IonicContact OE2-NE 2.94Å; E306-R309 PolarHBondContact OE2-NE 2.89Å; E306-R309 IonicContact OE2-NH2 2.71Å; E306-W315 WeakPolarHBondContact OE2-CH2 3.05Å; E306-W315 WeakPolarHBondContact OE2-CZ2 3.5Å
307E95.5Very high94.2Very high152 Ų15278.6 Ų78.671%0.7139%0.393SS*.G310 helixtrans-60.9-25.2-177.765.7174.6-171.500113.5I305I305-E307 VanDerWaalsContact C-N 3.28Å; I305-E307 PolarHBondContact O-N 3.16Å
308W93.6Very high94Very high116 Ų11679.8 Ų79.844%0.43940%0.398SS..G310 helixtrans-92.70.2179.1-55.1-63.9000114I305 E306 N310 T311 M312I305-W308 HydrophobicContact CB-CE3 3.6Å; I305-W308 HydrophobicContact CB-CZ3 3.67Å; I305-W308 HydrophobicContact CG2-CE3 4.22Å; I305-W308 HydrophobicContact CG2-CZ3 3.81Å; I305-W308 PolarHBondContact O-N 3.36Å; E306-W308 PolarHBondContact O-N 2.92Å; E306-W308 VanDerWaalsContact O-N 3.11Å; W308-N310 VanDerWaalsContact C-N 3.29Å; W308-N310 PolarHBondContact O-N 3.41Å; W308-T311 WeakPolarHBondContact CA-OG1 3.15Å; W308-T311 PolarHBondContact O-N 3.48Å; W308-T311 VanDerWaalsContact O-N 3.1Å; W308-T311 PolarHBondContact O-OG1 3.4Å; W308-T311 VanDerWaalsContact O-OG1 3.11Å; W308-M312 WeakPolarHBondContact O-CB 3.41Å; W308-M312 PolarHBondContact O-N 3.13Å
309R92.4Very high94Very high92 Ų9279.8 Ų79.835%0.34740%0.398SS..THydrogen-bonded Turntrans-53.1-43.4-175.1176.3-178.1-94-161.6-3113.4E306 W315E306-R309 WeakPolarHBondContact O-CB 3.29Å; E306-R309 PolarHBondContact O-N 3.1Å; E306-R309 WeakPolarHBondContact OE1-CD 3.47Å; E306-R309 IonicContact OE1-CZ 3.42Å; E306-R309 IonicContact OE1-NE 2.75Å; E306-R309 PolarHBondContact OE1-NE 2.88Å; E306-R309 IonicContact OE1-NH1 3.38Å; E306-R309 IonicContact OE2-CZ 2.72Å; E306-R309 IonicContact OE2-NE 2.94Å; E306-R309 PolarHBondContact OE2-NE 2.89Å; E306-R309 IonicContact OE2-NH2 2.71Å; R309-W315 VanDerWaalsContact CA-CD1 3.46Å; R309-W315 HydrophobicContact CB-CD2 4.02Å; R309-W315 HydrophobicContact CB-CG 4.22Å; R309-W315 HydrophobicContact CB-CZ2 4.26Å; R309-W315 HydrophobicContact CG-CD2 4.06Å; R309-W315 HydrophobicContact CG-CE3 4.15Å; R309-W315 HydrophobicContact CG-CG 4.45Å; R309-W315 HydrophobicContact CG-CZ3 4.48Å
310N92.2Very high93.9Very high153 Ų15378.1 Ų78.182%0.81839%0.386SS*.THydrogen-bonded Turntrans-88.3-10.8-175.5-61.6-42.9000113.6W308W308-N310 VanDerWaalsContact C-N 3.29Å; W308-N310 PolarHBondContact O-N 3.41Å
311T92.2Very high93.9Very high112 Ų11279.5 Ų79.569%0.68739%0.392SS*.THydrogen-bonded Turntrans-104.9-14.8-178.254.20000113W308W308-T311 WeakPolarHBondContact CA-OG1 3.15Å; W308-T311 PolarHBondContact O-N 3.48Å; W308-T311 VanDerWaalsContact O-N 3.1Å; W308-T311 PolarHBondContact O-OG1 3.4Å; W308-T311 VanDerWaalsContact O-OG1 3.11Å
312M90.1Very high93.8Very high56 Ų5682 Ų8228%0.27640%0.404SS..  trans-112104.3-179.7-176.4-174.5-74.600109.5W308 S314 W315 H318W308-M312 WeakPolarHBondContact O-CB 3.41Å; W308-M312 PolarHBondContact O-N 3.13Å; M312-S314 PolarHBondContact O-N 3.38Å; M312-S314 VanDerWaalsContact O-N 3.11Å; M312-W315 HydrophobicContact CB-CB 4.2Å; M312-W315 HydrophobicContact CG-CB 4.35Å; M312-W315 VanDerWaalsContact O-CB 3.28Å; M312-W315 WeakPolarHBondContact O-CB 3.29Å; M312-W315 PolarHBondContact O-N 2.94Å; M312-W315 HydrophobicContact SD-CB 4.38Å; M312-H318 HydrophobicContact SD-CB 3.66Å
313D86.1Confident93.8Very high177 Ų17780.9 Ų80.995%0.94740%0.399SS*.THydrogen-bonded Turntrans-57.4-31.3-178-65.6-26.6000112.9
314S90.8Very high93.8Very high57 Ų5777.7 Ų77.740%0.39939%0.385SS..THydrogen-bonded Turntrans-100.829.6178.757.80000113.6M312 H316 Q317 H318M312-S314 PolarHBondContact O-N 3.38Å; M312-S314 VanDerWaalsContact O-N 3.11Å; S314-H316 PolarHBondContact O-N 3.35Å; S314-Q317 WeakPolarHBondContact O-CB 3.47Å; S314-Q317 PolarHBondContact O-N 3.43Å; S314-Q317 VanDerWaalsContact O-N 3.12Å; S314-H318 PolarHBondContact O-N 2.88Å; S314-H318 PolarHBondContact O-ND1 3.29Å; S314-H318 PolarHBondContact OG-CE1 2.95Å; S314-H318 PolarHBondContact OG-ND1 3.2Å
315W94.3Very high93.7Very high3 Ų374.5 Ų74.51%0.01139%0.386CS..Hα-helixtrans-55-46.9-174.1-177.782.8000113.2Q302 I305 E306 R309 M312 Q317 H318 C319Q302-W315 HydrophobicContact CB-CH2 3.63Å; Q302-W315 HydrophobicContact CB-CZ2 4.1Å; Q302-W315 HydrophobicContact CG-CH2 3.51Å; Q302-W315 HydrophobicContact CG-CZ2 4.25Å; Q302-W315 HydrophobicContact CG-CZ3 4.01Å; Q302-W315 WeakPolarHBondContact O-CZ2 3.22Å; I305-W315 HydrophobicContact CG1-CZ2 4.18Å; I305-W315 PolarHBondContact O-NE1 3.19Å; E306-W315 WeakPolarHBondContact OE2-CH2 3.05Å; E306-W315 WeakPolarHBondContact OE2-CZ2 3.5Å; R309-W315 VanDerWaalsContact CA-CD1 3.46Å; R309-W315 HydrophobicContact CB-CD2 4.02Å; R309-W315 HydrophobicContact CB-CG 4.22Å; R309-W315 HydrophobicContact CB-CZ2 4.26Å; R309-W315 HydrophobicContact CG-CD2 4.06Å; R309-W315 HydrophobicContact CG-CE3 4.15Å; R309-W315 HydrophobicContact CG-CG 4.45Å; R309-W315 HydrophobicContact CG-CZ3 4.48Å; M312-W315 HydrophobicContact CB-CB 4.2Å; M312-W315 HydrophobicContact CG-CB 4.35Å; M312-W315 VanDerWaalsContact O-CB 3.28Å; M312-W315 WeakPolarHBondContact O-CB 3.29Å; M312-W315 PolarHBondContact O-N 2.94Å; M312-W315 HydrophobicContact SD-CB 4.38Å; W315-Q317 VanDerWaalsContact C-N 3.29Å; W315-Q317 PolarHBondContact O-N 2.91Å; W315-H318 PolarHBondContact O-N 2.93Å; W315-H318 VanDerWaalsContact O-N 3.07Å; W315-C319 PolarHBondContact O-N 3.43Å; W315-C319 PolarHBondContact O-SG 3.42Å; W315-C319 VanDerWaalsContact O-SG 3.35Å
316H92.7Very high93.6Very high56 Ų5678 Ų7826%0.25941%0.41SS..Hα-helixtrans-60.1-37.6178.3-69.3-75.5000112.9S314 C319 Q320 D395 R398S314-H316 PolarHBondContact O-N 3.35Å; H316-C319 WeakPolarHBondContact O-CB 3.32Å; H316-C319 PolarHBondContact O-N 2.96Å; H316-Q320 PolarHBondContact O-N 3.2Å; H316-D395 IonicContact ND1-OD1 3.26Å; H316-R398 PolarHBondContact CE1-NH1 3.19Å
317Q92.5Very high93.4Very high91 Ų9174.6 Ų74.643%0.42540%0.396SS..Hα-helixtrans-67.8-38.4176.2-172.861.430.400111.2S314 W315 C319 Q320 V321S314-Q317 WeakPolarHBondContact O-CB 3.47Å; S314-Q317 PolarHBondContact O-N 3.43Å; S314-Q317 VanDerWaalsContact O-N 3.12Å; W315-Q317 VanDerWaalsContact C-N 3.29Å; W315-Q317 PolarHBondContact O-N 2.91Å; Q317-C319 VanDerWaalsContact C-N 3.34Å; Q317-Q320 PolarHBondContact O-N 2.75Å; Q317-V321 WeakPolarHBondContact O-CG2 2.85Å; Q317-V321 PolarHBondContact O-N 3.34Å
318H94.2Very high93.3Very high78 Ų7869 Ų6936%0.36138%0.379SS..Hα-helixtrans-66.6-37.2175.3-75.370.6000111.6M312 S314 W315 Q320 V321 I322M312-H318 HydrophobicContact SD-CB 3.66Å; S314-H318 PolarHBondContact O-N 2.88Å; S314-H318 PolarHBondContact O-ND1 3.29Å; S314-H318 PolarHBondContact OG-CE1 2.95Å; S314-H318 PolarHBondContact OG-ND1 3.2Å; W315-H318 PolarHBondContact O-N 2.93Å; W315-H318 VanDerWaalsContact O-N 3.07Å; H318-Q320 VanDerWaalsContact C-N 3.28Å; H318-Q320 PolarHBondContact O-N 3.4Å; H318-V321 PolarHBondContact O-N 3.04Å; H318-I322 WeakPolarHBondContact O-CG1 3.14Å; H318-I322 PolarHBondContact O-N 3.25Å
319C96.3Very high93.4Very high1 Ų163.7 Ų63.71%0.00736%0.359CS..Hα-helixtrans-56-43.4171.1-640000111.6L298 V301 Q302 W315 H316 Q317 M323L298-C319 HydrophobicContact CD1-CB 3.72Å; V301-C319 HydrophobicContact CG1-CB 4.09Å; Q302-C319 HydrophobicContact CG-CB 4.24Å; W315-C319 PolarHBondContact O-N 3.43Å; W315-C319 PolarHBondContact O-SG 3.42Å; W315-C319 VanDerWaalsContact O-SG 3.35Å; H316-C319 WeakPolarHBondContact O-CB 3.32Å; H316-C319 PolarHBondContact O-N 2.96Å; Q317-C319 VanDerWaalsContact C-N 3.34Å; C319-M323 WeakPolarHBondContact O-CB 3.47Å; C319-M323 PolarHBondContact O-N 2.94Å
320Q95.8Very high93.6Very high5 Ų560.3 Ų60.32%0.02335%0.348CS..Hα-helixtrans-66-40.7176.9-64.5-66.2-34.900112.3H316 Q317 H318 M323 K324 D330 L399H316-Q320 PolarHBondContact O-N 3.2Å; Q317-Q320 PolarHBondContact O-N 2.75Å; H318-Q320 VanDerWaalsContact C-N 3.28Å; H318-Q320 PolarHBondContact O-N 3.4Å; Q320-M323 PolarHBondContact O-N 3.47Å; Q320-K324 WeakPolarHBondContact O-CB 3.43Å; Q320-K324 PolarHBondContact O-N 3.12Å; Q320-D330 HydrophobicContact CB-CB 4.25Å; Q320-L399 HydrophobicContact CG-CD2 3.58Å
321V95.4Very high93.7Very high85 Ų8553.1 Ų53.152%0.51531%0.309SS..Hα-helixtrans-62.5-45.6177.1171.60000111.4Q317 H318 K324 A325Q317-V321 WeakPolarHBondContact O-CG2 2.85Å; Q317-V321 PolarHBondContact O-N 3.34Å; H318-V321 PolarHBondContact O-N 3.04Å; V321-K324 PolarHBondContact O-N 2.69Å; V321-A325 PolarHBondContact O-N 2.66Å; V321-A325 VanDerWaalsContact O-N 3.13Å
322I96.3Very high93.8Very high63 Ų6349.6 Ų49.632%0.32329%0.289SS..Hα-helixtrans-67.3-45.5178.5-63.1171.7000110.1V301 I305 H318 K324 A325 C326V301-I322 HydrophobicContact CB-CG2 4.48Å; V301-I322 HydrophobicContact CG1-CB 3.75Å; V301-I322 HydrophobicContact CG1-CD1 4.33Å; V301-I322 HydrophobicContact CG1-CG2 3.74Å; V301-I322 HydrophobicContact CG2-CG2 3.91Å; I305-I322 HydrophobicContact CD1-CD1 3.97Å; I305-I322 HydrophobicContact CG2-CD1 3.92Å; H318-I322 WeakPolarHBondContact O-CG1 3.14Å; H318-I322 PolarHBondContact O-N 3.25Å; I322-K324 VanDerWaalsContact C-N 3.33Å; I322-K324 PolarHBondContact O-N 3.44Å; I322-A325 WeakPolarHBondContact O-CB 3.48Å; I322-A325 PolarHBondContact O-N 2.98Å; I322-A325 VanDerWaalsContact O-N 3.12Å; I322-C326 PolarHBondContact O-N 3.02Å; I322-C326 PolarHBondContact O-SG 2.97Å; I322-C326 VanDerWaalsContact O-SG 3.36Å
323M96.1Very high94Very high0 Ų049 Ų490%029%0.286CS..Hα-helixtrans-53.7-51.2174.4176.4-175.3-17800110.6L294 E297 L298 V301 C319 Q320 A325 C326 S327 Y331L294-M323 HydrophobicContact CB-CE 3.67Å; L294-M323 HydrophobicContact CD2-CE 3.58Å; L294-M323 HydrophobicContact CG-CE 4.18Å; L294-M323 WeakPolarHBondContact O-CE 3.31Å; E297-M323 HydrophobicContact CB-CE 4.18Å; E297-M323 HydrophobicContact CB-CG 4.47Å; L298-M323 HydrophobicContact CB-CE 4.46Å; L298-M323 HydrophobicContact CB-SD 3.74Å; L298-M323 HydrophobicContact CD1-CB 4.48Å; L298-M323 HydrophobicContact CD1-SD 4Å; L298-M323 HydrophobicContact CG-SD 4.37Å; V301-M323 HydrophobicContact CG2-CB 4.28Å; C319-M323 WeakPolarHBondContact O-CB 3.47Å; C319-M323 PolarHBondContact O-N 2.94Å; Q320-M323 PolarHBondContact O-N 3.47Å; M323-A325 VanDerWaalsContact C-N 3.26Å; M323-A325 PolarHBondContact O-N 3.43Å; M323-C326 CarbonylContact O-C 3.57Å; M323-C326 PolarHBondContact O-N 3.12Å; M323-S327 WeakPolarHBondContact CG-OG 3.42Å; M323-S327 PolarHBondContact O-N 3.41Å; M323-S327 PolarHBondContact O-OG 3.4Å; M323-Y331 HydrophobicContact CE-CD1 4Å; M323-Y331 HydrophobicContact CE-CE1 3.84Å; M323-Y331 HydrophobicContact SD-CD1 4.09Å; M323-Y331 HydrophobicContact SD-CE1 4.08Å
324K95.8Very high94.5Very high81 Ų8140.5 Ų40.535%0.35224%0.24SC..Hα-helixtrans-55.1-41.4177.5-176.7168.1172.5170.20112.8Q320 V321 I322 C326 G328 D330 E333Q320-K324 WeakPolarHBondContact O-CB 3.43Å; Q320-K324 PolarHBondContact O-N 3.12Å; V321-K324 PolarHBondContact O-N 2.69Å; I322-K324 VanDerWaalsContact C-N 3.33Å; I322-K324 PolarHBondContact O-N 3.44Å; K324-C326 VanDerWaalsContact C-N 3.31Å; K324-C326 PolarHBondContact O-N 3.39Å; K324-G328 CarbonylContact O-C 3.53Å; K324-G328 WeakPolarHBondContact O-CA 3.36Å; K324-G328 PolarHBondContact O-N 3.16Å; K324-D330 HydrophobicContact CB-CB 4.14Å; K324-E333 WeakPolarHBondContact CD-OE2 3.48Å; K324-E333 WeakPolarHBondContact CE-OE1 3.18Å; K324-E333 WeakPolarHBondContact CE-OE2 3.14Å; K324-E333 IonicContact NZ-OE1 3.45Å; K324-E333 PolarHBondContact NZ-OE1 2.75Å; K324-E333 IonicContact NZ-OE2 3.94Å; K324-E333 PolarHBondContact NZ-OE2 2.91Å
325A94.9Very high94.8Very high88 Ų8837.9 Ų37.973%0.72722%0.222SC*.Hα-helixtrans-66.4-32.5176.900000112.9V321 I322 M323V321-A325 PolarHBondContact O-N 2.66Å; V321-A325 VanDerWaalsContact O-N 3.13Å; I322-A325 WeakPolarHBondContact O-CB 3.48Å; I322-A325 PolarHBondContact O-N 2.98Å; I322-A325 VanDerWaalsContact O-N 3.12Å; M323-A325 VanDerWaalsContact C-N 3.26Å; M323-A325 PolarHBondContact O-N 3.43Å
326C91.8Very high94.8Very high90 Ų9039.7 Ų39.761%0.60824%0.235SC*.Hα-helixtrans-85.3-47.9-179.2-65.80000113.3I322 M323 K324I322-C326 PolarHBondContact O-N 3.02Å; I322-C326 PolarHBondContact O-SG 2.97Å; I322-C326 VanDerWaalsContact O-SG 3.36Å; M323-C326 CarbonylContact O-C 3.57Å; M323-C326 PolarHBondContact O-N 3.12Å; K324-C326 VanDerWaalsContact C-N 3.31Å; K324-C326 PolarHBondContact O-N 3.39Å
327S92.9Very high95Very high10 Ų1037.2 Ų37.27%0.0722%0.224CC..Hα-helixtrans-96.1-12.5-174.8520000113.9F190 M323 I329F190-S327 WeakPolarHBondContact CE1-O 3.44Å; F190-S327 WeakPolarHBondContact CZ-O 3.24Å; M323-S327 WeakPolarHBondContact CG-OG 3.42Å; M323-S327 PolarHBondContact O-N 3.41Å; M323-S327 PolarHBondContact O-OG 3.4Å; S327-I329 VanDerWaalsContact C-N 3.34Å; S327-I329 PolarHBondContact O-N 3.01Å; S327-I329 PolarHBondContact OG-O 3.31Å; S327-I329 VanDerWaalsContact OG-O 3.08Å
328G93.8Very high95.3Very high35 Ų3532.9 Ų32.936%0.36120%0.203SC..SBendtrans92.1-21.5179.500000114.8K324K324-G328 CarbonylContact O-C 3.53Å; K324-G328 WeakPolarHBondContact O-CA 3.36Å; K324-G328 PolarHBondContact O-N 3.16Å
329I95.2Very high95.3Very high4 Ų431.3 Ų31.32%0.02120%0.196CC..  trans-139.4156.6172.468.7174.1000111.6W163 F190 M290 L294 S327 E333 F334W163-I329 HydrophobicContact CH2-CG2 4.27Å; W163-I329 HydrophobicContact CZ2-CG2 3.98Å; F190-I329 HydrophobicContact CE1-CD1 4.19Å; F190-I329 HydrophobicContact CE1-CG1 3.85Å; F190-I329 HydrophobicContact CZ-CD1 4.4Å; F190-I329 HydrophobicContact CZ-CG1 4.16Å; F190-I329 HydrophobicContact CZ-CG2 4.18Å; M290-I329 HydrophobicContact CE-CD1 3.33Å; M290-I329 HydrophobicContact CE-CG1 4.43Å; L294-I329 HydrophobicContact CD1-CD1 4.16Å; L294-I329 HydrophobicContact CD2-CD1 4.33Å; L294-I329 HydrophobicContact CD2-CG1 3.98Å; S327-I329 VanDerWaalsContact C-N 3.34Å; S327-I329 PolarHBondContact O-N 3.01Å; S327-I329 PolarHBondContact OG-O 3.31Å; S327-I329 VanDerWaalsContact OG-O 3.08Å; I329-E333 WeakPolarHBondContact CA-OE2 3.45Å; I329-E333 HydrophobicContact CB-CB 4Å; I329-E333 HydrophobicContact CG2-CB 4.35Å; I329-F334 HydrophobicContact CD1-CB 4Å; I329-F334 HydrophobicContact CD1-CD2 4.22Å
330D95.7Very high95.3Very high21 Ų2132.4 Ų32.411%0.11220%0.201CC..  trans-101.8-178.6167.766.335.3000112.5Q320 K324 S332 E333 F334Q320-D330 HydrophobicContact CB-CB 4.25Å; K324-D330 HydrophobicContact CB-CB 4.14Å; D330-S332 VanDerWaalsContact C-N 3.3Å; D330-S332 PolarHBondContact O-N 2.97Å; D330-S332 WeakPolarHBondContact OD1-CA 3.45Å; D330-S332 WeakPolarHBondContact OD1-CB 3.33Å; D330-S332 PolarHBondContact OD1-N 3.24Å; D330-E333 PolarHBondContact O-N 2.86Å; D330-E333 PolarHBondContact OD1-N 3.37Å; D330-F334 WeakPolarHBondContact O-CB 3.32Å; D330-F334 PolarHBondContact O-N 3.45Å
331Y95.9Very high95.3Very high2 Ų232.2 Ų32.21%0.00820%0.2CC..Hα-helixtrans-65-30.2178.5-81.613.9000114W291 L294 Q295 L298 M323 A335 D395 F396W291-Y331 HydrophobicContact CH2-CD1 4.35Å; W291-Y331 HydrophobicContact CH2-CD2 4.09Å; W291-Y331 AromaticContact CH2-CE1 3.94Å; W291-Y331 HydrophobicContact CH2-CE1 3.94Å; W291-Y331 AromaticContact CH2-CE2 3.67Å; W291-Y331 HydrophobicContact CH2-CE2 3.67Å; W291-Y331 HydrophobicContact CH2-CG 4.41Å; W291-Y331 AromaticContact CH2-CZ 3.58Å; W291-Y331 AromaticContact CZ3-CD1 3.87Å; W291-Y331 HydrophobicContact CZ3-CD1 3.87Å; W291-Y331 HydrophobicContact CZ3-CD2 4.38Å; W291-Y331 AromaticContact CZ3-CE1 3.61Å; W291-Y331 HydrophobicContact CZ3-CE1 3.61Å; W291-Y331 HydrophobicContact CZ3-CE2 4.16Å; W291-Y331 HydrophobicContact CZ3-CG 4.25Å; W291-Y331 AromaticContact CZ3-CZ 3.76Å; L294-Y331 HydrophobicContact CB-CE1 4.11Å; Q295-Y331 WeakPolarHBondContact CA-OH 3.45Å; Q295-Y331 WeakPolarHBondContact CG-OH 3.29Å; L298-Y331 HydrophobicContact CB-CE1 4.3Å; L298-Y331 HydrophobicContact CD2-CD2 4.3Å; L298-Y331 HydrophobicContact CD2-CE1 4.09Å; L298-Y331 HydrophobicContact CD2-CE2 3.57Å; L298-Y331 VanDerWaalsContact CD2-CZ 3.44Å; L298-Y331 WeakPolarHBondContact CD2-OH 3.42Å; M323-Y331 HydrophobicContact CE-CD1 4Å; M323-Y331 HydrophobicContact CE-CE1 3.84Å; M323-Y331 HydrophobicContact SD-CD1 4.09Å; M323-Y331 HydrophobicContact SD-CE1 4.08Å; Y331-A335 WeakPolarHBondContact O-CB 3.47Å; Y331-A335 PolarHBondContact O-N 3.47Å; Y331-D395 HydrophobicContact CE2-CB 4.03Å; Y331-F396 HydrophobicContact CD2-CB 4.13Å; Y331-F396 HydrophobicContact CD2-CD2 4.36Å
332S93.7Very high95.4Very high38 Ų3828.1 Ų28.127%0.26618%0.176SC..Hα-helixtrans-74.7-39.2179.3-70.80000111.3D330 A335 S336D330-S332 VanDerWaalsContact C-N 3.3Å; D330-S332 PolarHBondContact O-N 2.97Å; D330-S332 WeakPolarHBondContact OD1-CA 3.45Å; D330-S332 WeakPolarHBondContact OD1-CB 3.33Å; D330-S332 PolarHBondContact OD1-N 3.24Å; S332-A335 PolarHBondContact O-N 3.29Å; S332-S336 PolarHBondContact O-N 3.39Å; S332-S336 PolarHBondContact O-OG 3.04Å
333E94.5Very high95.3Very high43 Ų4328.9 Ų28.920%0.20118%0.178CC..Hα-helixtrans-66.8-39.6170.9-72.8-177.7152.800111.7K324 I329 D330 A335 S336 F337K324-E333 WeakPolarHBondContact CD-OE2 3.48Å; K324-E333 WeakPolarHBondContact CE-OE1 3.18Å; K324-E333 WeakPolarHBondContact CE-OE2 3.14Å; K324-E333 IonicContact NZ-OE1 3.45Å; K324-E333 PolarHBondContact NZ-OE1 2.75Å; K324-E333 IonicContact NZ-OE2 3.94Å; K324-E333 PolarHBondContact NZ-OE2 2.91Å; I329-E333 WeakPolarHBondContact CA-OE2 3.45Å; I329-E333 HydrophobicContact CB-CB 4Å; I329-E333 HydrophobicContact CG2-CB 4.35Å; D330-E333 PolarHBondContact O-N 2.86Å; D330-E333 PolarHBondContact OD1-N 3.37Å; E333-A335 VanDerWaalsContact C-N 3.31Å; E333-A335 PolarHBondContact O-N 3.27Å; E333-S336 WeakPolarHBondContact O-CB 3.44Å; E333-S336 PolarHBondContact O-N 3.2Å; E333-S336 VanDerWaalsContact O-N 3.16Å; E333-F337 WeakPolarHBondContact O-CB 3.22Å; E333-F337 PolarHBondContact O-N 3.49Å
334F96.8Very high95.2Very high0 Ų030.4 Ų30.40%019%0.186CC..Hα-helixtrans-60.8-40.4172.7-178.7-116.1000112.5I287 M290 W291 L294 I329 D330 S336 F337 L338 I386 L390I287-F334 HydrophobicContact CD1-CE2 3.69Å; I287-F334 HydrophobicContact CD1-CZ 3.94Å; I287-F334 HydrophobicContact CG1-CZ 4.31Å; M290-F334 HydrophobicContact CE-CD2 3.95Å; M290-F334 HydrophobicContact CE-CE2 4.19Å; M290-F334 HydrophobicContact CG-CE2 4.13Å; M290-F334 HydrophobicContact SD-CD2 3.91Å; M290-F334 HydrophobicContact SD-CE2 3.51Å; M290-F334 VanDerWaalsContact SD-CE2 3.51Å; W291-F334 HydrophobicContact CB-CE1 4.2Å; W291-F334 HydrophobicContact CB-CZ 4.05Å; W291-F334 AromaticContact CD2-CE1 3.95Å; W291-F334 HydrophobicContact CD2-CE1 3.95Å; W291-F334 AromaticContact CE3-CD1 3.65Å; W291-F334 HydrophobicContact CE3-CD1 3.65Å; W291-F334 AromaticContact CE3-CE1 3.38Å; W291-F334 HydrophobicContact CE3-CE1 3.38Å; W291-F334 HydrophobicContact CE3-CZ 4.25Å; W291-F334 HydrophobicContact CG-CE1 4.31Å; W291-F334 AromaticContact CZ3-CD1 3.95Å; W291-F334 HydrophobicContact CZ3-CD1 3.95Å; W291-F334 HydrophobicContact CZ3-CE1 4.12Å; L294-F334 HydrophobicContact CD1-CB 3.82Å; L294-F334 HydrophobicContact CD1-CD1 3.99Å; L294-F334 HydrophobicContact CD1-CD2 3.51Å; L294-F334 HydrophobicContact CD1-CE1 4.45Å; L294-F334 HydrophobicContact CD1-CE2 4.03Å; L294-F334 HydrophobicContact CD1-CG 3.48Å; L294-F334 VanDerWaalsContact CD1-CG 3.48Å; L294-F334 HydrophobicContact CD1-CZ 4.46Å; I329-F334 HydrophobicContact CD1-CB 4Å; I329-F334 HydrophobicContact CD1-CD2 4.22Å; D330-F334 WeakPolarHBondContact O-CB 3.32Å; D330-F334 PolarHBondContact O-N 3.45Å; F334-S336 VanDerWaalsContact C-N 3.33Å; F334-F337 HydrophobicContact CD2-CD1 4.29Å; F334-F337 HydrophobicContact CE2-CD1 4.25Å; F334-F337 WeakPolarHBondContact O-CB 3.29Å; F334-F337 PolarHBondContact O-N 2.95Å; F334-L338 HydrophobicContact CD1-CD1 4.29Å; F334-L338 HydrophobicContact CE1-CD1 3.86Å; F334-L338 HydrophobicContact CE1-CG 4.45Å; F334-L338 HydrophobicContact CZ-CD1 4.15Å; F334-L338 HydrophobicContact CZ-CD2 4.32Å; F334-L338 HydrophobicContact CZ-CG 4.35Å; F334-L338 WeakPolarHBondContact O-CG 3.38Å; F334-L338 PolarHBondContact O-N 2.84Å; F334-L338 VanDerWaalsContact O-N 3.08Å; F334-I386 HydrophobicContact CE1-CG2 3.76Å; F334-I386 HydrophobicContact CZ-CG2 3.85Å; F334-L390 HydrophobicContact CD1-CD1 4.47Å
335A95.9Very high95.2Very high2 Ų226.7 Ų26.72%0.01717%0.169CC..Hα-helixtrans-66.6-37.7175.800000111.7Y331 S332 E333 L338 K339 L390 F396 L406Y331-A335 WeakPolarHBondContact O-CB 3.47Å; Y331-A335 PolarHBondContact O-N 3.47Å; S332-A335 PolarHBondContact O-N 3.29Å; E333-A335 VanDerWaalsContact C-N 3.31Å; E333-A335 PolarHBondContact O-N 3.27Å; A335-L338 PolarHBondContact O-N 2.81Å; A335-K339 PolarHBondContact O-N 3.11Å; A335-L390 HydrophobicContact CB-CD2 3.66Å; A335-F396 HydrophobicContact CB-CE2 4.03Å; A335-F396 HydrophobicContact CB-CZ 4.25Å; A335-L406 VanDerWaalsContact C-CD1 3.45Å; A335-L406 HydrophobicContact CB-CD1 4.14Å; A335-L406 HydrophobicContact CB-CD2 3.34Å; A335-L406 HydrophobicContact CB-CG 4.38Å; A335-L406 VanDerWaalsContact O-CD1 3.31Å; A335-L406 WeakPolarHBondContact O-CD1 3.38Å
336S95.2Very high95.2Very high40 Ų4023.2 Ų23.228%0.2814%0.138SC..Hα-helixtrans-66.5-38.2175.7-57.30000111.9S332 E333 F334 K339 I340S332-S336 PolarHBondContact O-N 3.39Å; S332-S336 PolarHBondContact O-OG 3.04Å; E333-S336 WeakPolarHBondContact O-CB 3.44Å; E333-S336 PolarHBondContact O-N 3.2Å; E333-S336 VanDerWaalsContact O-N 3.16Å; F334-S336 VanDerWaalsContact C-N 3.33Å; S336-K339 WeakPolarHBondContact O-CB 3.28Å; S336-K339 PolarHBondContact O-N 3.47Å; S336-I340 PolarHBondContact O-N 3.24Å
337F96.8Very high95.1Very high4 Ų420.2 Ų20.22%0.01812%0.12CC..Hα-helixtrans-55.4-49.9169.3166.3-83.2000111.7W158 Y162 L282 I287 E333 F334 K339 I340 V341W158-F337 HydrophobicContact CB-CE2 4.04Å; W158-F337 HydrophobicContact CB-CZ 3.55Å; W158-F337 AromaticContact CE3-CE1 4Å; W158-F337 HydrophobicContact CE3-CE1 4Å; W158-F337 HydrophobicContact CE3-CZ 4.08Å; W158-F337 VanDerWaalsContact O-CE2 3.26Å; W158-F337 WeakPolarHBondContact O-CE2 3.49Å; Y162-F337 HydrophobicContact CD1-CD2 4.09Å; Y162-F337 VanDerWaalsContact CD2-CA 3.47Å; Y162-F337 HydrophobicContact CD2-CB 3.83Å; Y162-F337 HydrophobicContact CD2-CD2 4.09Å; Y162-F337 HydrophobicContact CD2-CG 4.42Å; Y162-F337 HydrophobicContact CE2-CB 3.9Å; Y162-F337 HydrophobicContact CG-CB 4.17Å; Y162-F337 AromaticContact CG-CD2 3.65Å; Y162-F337 HydrophobicContact CG-CD2 3.65Å; Y162-F337 HydrophobicContact CG-CG 4.39Å; L282-F337 HydrophobicContact CB-CZ 4.48Å; L282-F337 HydrophobicContact CD1-CZ 4.38Å; I287-F337 HydrophobicContact CD1-CD1 4.39Å; I287-F337 HydrophobicContact CD1-CE1 3.56Å; I287-F337 HydrophobicContact CD1-CZ 4.3Å; E333-F337 WeakPolarHBondContact O-CB 3.22Å; E333-F337 PolarHBondContact O-N 3.49Å; F334-F337 HydrophobicContact CD2-CD1 4.29Å; F334-F337 HydrophobicContact CE2-CD1 4.25Å; F334-F337 WeakPolarHBondContact O-CB 3.29Å; F334-F337 PolarHBondContact O-N 2.95Å; F337-K339 VanDerWaalsContact C-N 3.3Å; F337-K339 PolarHBondContact O-N 2.87Å; F337-I340 PolarHBondContact O-N 3.48Å; F337-V341 HydrophobicContact CE1-CG2 4.31Å; F337-V341 HydrophobicContact CZ-CG2 4.27Å; F337-V341 VanDerWaalsContact O-CG2 3.32Å; F337-V341 WeakPolarHBondContact O-CG2 3.45Å; F337-V341 PolarHBondContact O-N 3.46Å; F337-V341 VanDerWaalsContact O-N 3.1Å
338L97.5Very high95.1Very high0 Ų020.4 Ų20.40%012%0.12CC..Hα-helixtrans-62.5-37.5177.4-66.1172.5000112.3I287 F334 A335 V341 A342 V383 I386 I387I287-L338 HydrophobicContact CD1-CD2 4.22Å; I287-L338 HydrophobicContact CG1-CD2 4.05Å; F334-L338 HydrophobicContact CD1-CD1 4.29Å; F334-L338 HydrophobicContact CE1-CD1 3.86Å; F334-L338 HydrophobicContact CE1-CG 4.45Å; F334-L338 HydrophobicContact CZ-CD1 4.15Å; F334-L338 HydrophobicContact CZ-CD2 4.32Å; F334-L338 HydrophobicContact CZ-CG 4.35Å; F334-L338 WeakPolarHBondContact O-CG 3.38Å; F334-L338 PolarHBondContact O-N 2.84Å; F334-L338 VanDerWaalsContact O-N 3.08Å; A335-L338 PolarHBondContact O-N 2.81Å; L338-V341 PolarHBondContact O-N 2.9Å; L338-A342 WeakPolarHBondContact O-CB 3.33Å; L338-A342 PolarHBondContact O-N 3.17Å; L338-V383 HydrophobicContact CB-CG1 4.07Å; L338-V383 HydrophobicContact CD2-CG1 4.29Å; L338-V383 HydrophobicContact CD2-CG2 4.43Å; L338-I386 HydrophobicContact CD1-CB 4.27Å; L338-I386 HydrophobicContact CD1-CG2 3.61Å; L338-I386 HydrophobicContact CD2-CB 4.44Å; L338-I386 HydrophobicContact CD2-CG2 4.22Å; L338-I387 HydrophobicContact CB-CG1 4.47Å; L338-I387 HydrophobicContact CD1-CG1 4.12Å
339K96Very high94.9Very high46 Ų4618.8 Ų18.820%0.210%0.103CC..Hα-helixtrans-62.1-52.1177.1176.8179173.7-1740112A335 S336 F337 V341 A342 E343 T405 L406 L411A335-K339 PolarHBondContact O-N 3.11Å; S336-K339 WeakPolarHBondContact O-CB 3.28Å; S336-K339 PolarHBondContact O-N 3.47Å; F337-K339 VanDerWaalsContact C-N 3.3Å; F337-K339 PolarHBondContact O-N 2.87Å; K339-V341 VanDerWaalsContact C-N 3.27Å; K339-V341 PolarHBondContact O-N 3.39Å; K339-A342 PolarHBondContact O-N 2.84Å; K339-A342 VanDerWaalsContact O-N 3.16Å; K339-E343 WeakPolarHBondContact CE-OE1 3.48Å; K339-E343 HydrophobicContact CG-CG 4.28Å; K339-E343 IonicContact NZ-OE1 3.99Å; K339-E343 WeakPolarHBondContact O-CB 3.44Å; K339-E343 WeakPolarHBondContact O-CG 3.31Å; K339-E343 PolarHBondContact O-N 3.44Å; K339-T405 PolarHBondContact NZ-O 2.87Å; K339-T405 VanDerWaalsContact NZ-O 3.16Å; K339-L406 HydrophobicContact CB-CD1 3.74Å; K339-L406 HydrophobicContact CD-CD1 3.79Å; K339-L406 HydrophobicContact CG-CD1 4.39Å; K339-L411 HydrophobicContact CB-CD2 3.83Å; K339-L411 HydrophobicContact CG-CD2 4.14Å
340I95.4Very high94.6Very high24 Ų2422.1 Ų22.112%0.12312%0.121CC..Hα-helixtrans-57-46.3178.3-74.3165.4000110.1Y162 T165 L166 S336 F337 A342 E343 N344Y162-I340 HydrophobicContact CD2-CD1 3.54Å; Y162-I340 HydrophobicContact CE2-CD1 3.75Å; T165-I340 HydrophobicContact CG2-CD1 3.99Å; T165-I340 HydrophobicContact CG2-CG1 4.38Å; T165-I340 HydrophobicContact CG2-CG2 4.22Å; L166-I340 HydrophobicContact CD2-CD1 4.41Å; S336-I340 PolarHBondContact O-N 3.24Å; F337-I340 PolarHBondContact O-N 3.48Å; I340-A342 PolarHBondContact O-N 3.28Å; I340-E343 PolarHBondContact O-N 2.88Å; I340-N344 WeakPolarHBondContact O-CB 3.46Å; I340-N344 PolarHBondContact O-N 3.09Å; I340-N344 VanDerWaalsContact O-N 3.13Å; I340-N344 PolarHBondContact O-ND2 3.07Å
341V96.7Very high94.1Very high0 Ų022.1 Ų22.10%012%0.124CC..Hα-helixtrans-59.5-46.8178.7169.50000111.1W158 F337 L338 K339 R345 V383W158-V341 HydrophobicContact CB-CG2 3.86Å; W158-V341 HydrophobicContact CD2-CG1 3.58Å; W158-V341 HydrophobicContact CD2-CG2 4.06Å; W158-V341 HydrophobicContact CE3-CB 4.5Å; W158-V341 HydrophobicContact CE3-CG1 3.74Å; W158-V341 HydrophobicContact CE3-CG2 4.14Å; W158-V341 HydrophobicContact CG-CG1 4.12Å; W158-V341 HydrophobicContact CG-CG2 3.98Å; W158-V341 HydrophobicContact CH2-CG1 4.11Å; W158-V341 HydrophobicContact CZ2-CG1 4Å; W158-V341 HydrophobicContact CZ3-CG1 3.99Å; F337-V341 HydrophobicContact CE1-CG2 4.31Å; F337-V341 HydrophobicContact CZ-CG2 4.27Å; F337-V341 VanDerWaalsContact O-CG2 3.32Å; F337-V341 WeakPolarHBondContact O-CG2 3.45Å; F337-V341 PolarHBondContact O-N 3.46Å; F337-V341 VanDerWaalsContact O-N 3.1Å; L338-V341 PolarHBondContact O-N 2.9Å; K339-V341 VanDerWaalsContact C-N 3.27Å; K339-V341 PolarHBondContact O-N 3.39Å; V341-R345 VanDerWaalsContact CG1-NH1 3.27Å; V341-R345 VanDerWaalsContact O-CD 3.22Å; V341-R345 WeakPolarHBondContact O-CD 3.41Å; V341-R345 PolarHBondContact O-N 3.11Å; V341-R345 PolarHBondContact O-NH1 3.07Å; V341-V383 HydrophobicContact CB-CG2 4.44Å; V341-V383 HydrophobicContact CG1-CG2 3.68Å
342A96.6Very high93.5Very high0 Ų024.7 Ų24.70%014%0.141CC..Hα-helixtrans-65.2-46.9-179.900000113L338 K339 I340 N344 R345 M346 L380 V383 L411 I415L338-A342 WeakPolarHBondContact O-CB 3.33Å; L338-A342 PolarHBondContact O-N 3.17Å; K339-A342 PolarHBondContact O-N 2.84Å; K339-A342 VanDerWaalsContact O-N 3.16Å; I340-A342 PolarHBondContact O-N 3.28Å; A342-N344 VanDerWaalsContact C-N 3.32Å; A342-N344 PolarHBondContact O-N 3.4Å; A342-R345 PolarHBondContact O-N 2.95Å; A342-M346 HydrophobicContact CB-CE 4.43Å; A342-M346 WeakPolarHBondContact O-CG 3.3Å; A342-M346 PolarHBondContact O-N 3Å; A342-L380 HydrophobicContact CB-CD2 4.1Å; A342-V383 HydrophobicContact CB-CG1 3.97Å; A342-L411 HydrophobicContact CB-CD1 3.94Å; A342-L411 HydrophobicContact CB-CD2 4.45Å; A342-L411 HydrophobicContact CB-CG 4.48Å; A342-I415 HydrophobicContact CB-CD1 3.69Å; A342-I415 HydrophobicContact CB-CG1 4.01Å
343E94.6Very high92.7Very high79 Ų7924.8 Ų24.837%0.36914%0.142SC..Hα-helixtrans-57.3-47.3-179.3-74.7175.5164.300110.6K339 I340 R345 M346 A347K339-E343 WeakPolarHBondContact CE-OE1 3.48Å; K339-E343 HydrophobicContact CG-CG 4.28Å; K339-E343 IonicContact NZ-OE1 3.99Å; K339-E343 WeakPolarHBondContact O-CB 3.44Å; K339-E343 WeakPolarHBondContact O-CG 3.31Å; K339-E343 PolarHBondContact O-N 3.44Å; I340-E343 PolarHBondContact O-N 2.88Å; E343-R345 VanDerWaalsContact C-N 3.34Å; E343-R345 PolarHBondContact O-N 3.32Å; E343-M346 HydrophobicContact CG-CE 4.35Å; E343-M346 PolarHBondContact O-N 3.14Å; E343-A347 WeakPolarHBondContact O-CB 3.26Å; E343-A347 PolarHBondContact O-N 3.34Å
344N94.4Very high91.6Very high31 Ų3126.6 Ų26.617%0.16616%0.159CC..Hα-helixtrans-61-39.8178.6-72.6-25.7000113.2E161 I340 A342 F348 L364E161-N344 PolarHBondContact OE1-ND2 3.31Å; I340-N344 WeakPolarHBondContact O-CB 3.46Å; I340-N344 PolarHBondContact O-N 3.09Å; I340-N344 VanDerWaalsContact O-N 3.13Å; I340-N344 PolarHBondContact O-ND2 3.07Å; A342-N344 VanDerWaalsContact C-N 3.32Å; A342-N344 PolarHBondContact O-N 3.4Å; N344-F348 WeakPolarHBondContact O-CB 3.37Å; N344-F348 PolarHBondContact O-N 3.38Å; N344-L364 HydrophobicContact CB-CD2 3.77Å; N344-L364 VanDerWaalsContact CG-CD2 3.42Å; N344-L364 WeakPolarHBondContact ND2-CD2 3.38Å
345R94.9Very high90Very high3 Ų330 Ų301%0.01120%0.195CC..Hα-helixtrans-72.6-44.7179.5-8337.3162.5-147.725.2111.5E161 V341 A342 E343 A347 F348 L349 A376 D379 L380E161-R345 IonicContact OE1-CZ 3.33Å; E161-R345 IonicContact OE1-NH1 3.6Å; E161-R345 PolarHBondContact OE1-NH1 2.67Å; E161-R345 IonicContact OE1-NH2 3.75Å; E161-R345 IonicContact OE2-CZ 3.34Å; E161-R345 IonicContact OE2-NH1 3.7Å; E161-R345 PolarHBondContact OE2-NH1 3.44Å; E161-R345 IonicContact OE2-NH2 3.35Å; E161-R345 PolarHBondContact OE2-NH2 3.36Å; V341-R345 VanDerWaalsContact CG1-NH1 3.27Å; V341-R345 VanDerWaalsContact O-CD 3.22Å; V341-R345 WeakPolarHBondContact O-CD 3.41Å; V341-R345 PolarHBondContact O-N 3.11Å; V341-R345 PolarHBondContact O-NH1 3.07Å; A342-R345 PolarHBondContact O-N 2.95Å; E343-R345 VanDerWaalsContact C-N 3.34Å; E343-R345 PolarHBondContact O-N 3.32Å; R345-A347 VanDerWaalsContact C-N 3.27Å; R345-A347 PolarHBondContact O-N 3.15Å; R345-F348 PolarHBondContact O-N 2.93Å; R345-L349 WeakPolarHBondContact O-CG 3.14Å; R345-L349 PolarHBondContact O-N 3.23Å; R345-A376 HydrophobicContact CB-CB 4.42Å; R345-A376 HydrophobicContact CG-CB 4.18Å; R345-D379 HydrophobicContact CG-CB 3.88Å; R345-D379 IonicContact NE-OD2 3.85Å; R345-D379 PolarHBondContact NE-OD2 2.63Å; R345-L380 HydrophobicContact CB-CD1 4.18Å; R345-L380 HydrophobicContact CB-CD2 3.54Å; R345-L380 HydrophobicContact CB-CG 3.61Å; R345-L380 HydrophobicContact CG-CD2 4.39Å; R345-L380 HydrophobicContact CG-CG 4.35Å
346M94.1Very high88.3Confident15 Ų1535.8 Ų35.87%0.07423%0.225CC..Hα-helixtrans-60.7-43.9178.1-72.5-171.7-6700110.6A342 E343 L349 N350 L380 L411 Q414 I415 T418A342-M346 HydrophobicContact CB-CE 4.43Å; A342-M346 WeakPolarHBondContact O-CG 3.3Å; A342-M346 PolarHBondContact O-N 3Å; E343-M346 HydrophobicContact CG-CE 4.35Å; E343-M346 PolarHBondContact O-N 3.14Å; M346-L349 PolarHBondContact O-N 3.47Å; M346-N350 WeakPolarHBondContact O-CB 3.11Å; M346-N350 PolarHBondContact O-N 3.38Å; M346-N350 PolarHBondContact O-ND2 2.98Å; M346-L380 HydrophobicContact CG-CD1 3.79Å; M346-L380 HydrophobicContact CG-CD2 3.89Å; M346-L411 HydrophobicContact CE-CD1 3.84Å; M346-Q414 HydrophobicContact CE-CB 4.33Å; M346-Q414 HydrophobicContact SD-CB 3.91Å; M346-I415 HydrophobicContact CE-CG1 4.4Å; M346-I415 HydrophobicContact SD-CB 4.48Å; M346-I415 HydrophobicContact SD-CG1 3.92Å; M346-T418 HydrophobicContact CB-CG2 4.18Å; M346-T418 HydrophobicContact CG-CG2 4.05Å
347A91.5Very high86.4Confident27 Ų2739.6 Ų39.622%0.22325%0.252CS..Hα-helixtrans-66.3-44.4-17800000110E343 R345 L349 N350 A351 Y360E343-A347 WeakPolarHBondContact O-CB 3.26Å; E343-A347 PolarHBondContact O-N 3.34Å; R345-A347 VanDerWaalsContact C-N 3.27Å; R345-A347 PolarHBondContact O-N 3.15Å; A347-L349 PolarHBondContact O-N 3.32Å; A347-N350 PolarHBondContact O-N 2.89Å; A347-A351 PolarHBondContact O-N 3.23Å; A347-Y360 WeakPolarHBondContact CA-OH 3.37Å; A347-Y360 HydrophobicContact CB-CE1 3.42Å; A347-Y360 VanDerWaalsContact CB-CE1 3.42Å; A347-Y360 VanDerWaalsContact CB-CZ 3.5Å; A347-Y360 WeakPolarHBondContact CB-OH 3.36Å; A347-Y360 PolarHBondContact O-OH 3.34Å
348F91.2Very high84.5Confident14 Ų1443.1 Ų43.16%0.06128%0.277CS..Hα-helixtrans-56.1-47.3171.1171.8-105.8000113.2N344 R345 N350 A351 C352 L368 A376N344-F348 WeakPolarHBondContact O-CB 3.37Å; N344-F348 PolarHBondContact O-N 3.38Å; R345-F348 PolarHBondContact O-N 2.93Å; F348-N350 VanDerWaalsContact C-N 3.34Å; F348-N350 PolarHBondContact O-N 3.4Å; F348-A351 PolarHBondContact O-N 3.44Å; F348-C352 PolarHBondContact O-N 3.36Å; F348-C352 PolarHBondContact O-SG 2.89Å; F348-C352 VanDerWaalsContact O-SG 3.34Å; F348-L368 HydrophobicContact CB-CD1 3.75Å; F348-L368 HydrophobicContact CD1-CB 4.1Å; F348-L368 HydrophobicContact CD2-CB 3.72Å; F348-L368 HydrophobicContact CD2-CD1 4.41Å; F348-L368 HydrophobicContact CE1-CB 4.21Å; F348-L368 HydrophobicContact CE2-CB 3.85Å; F348-L368 HydrophobicContact CG-CB 3.85Å; F348-L368 HydrophobicContact CG-CD1 4.01Å; F348-L368 HydrophobicContact CZ-CB 4.1Å; F348-L368 VanDerWaalsContact CZ-O 3.24Å; F348-L368 WeakPolarHBondContact CZ-O 3.48Å; F348-A376 HydrophobicContact CD1-CB 3.72Å; F348-A376 HydrophobicContact CE1-CB 4.06Å
349L90.4Very high82.4Confident1 Ų151 Ų511%0.00532%0.319CS..Hα-helixtrans-64.5-37.8179-70.9176.2000112.5R345 M346 A347 C352 S353 P373 A376 L380 T418 T422R345-L349 WeakPolarHBondContact O-CG 3.14Å; R345-L349 PolarHBondContact O-N 3.23Å; M346-L349 PolarHBondContact O-N 3.47Å; A347-L349 PolarHBondContact O-N 3.32Å; L349-C352 PolarHBondContact O-N 2.91Å; L349-S353 PolarHBondContact O-N 2.99Å; L349-S353 PolarHBondContact O-OG 2.88Å; L349-P373 HydrophobicContact CD2-CB 3.76Å; L349-A376 HydrophobicContact CD1-CB 4.39Å; L349-A376 HydrophobicContact CD2-CB 3.99Å; L349-A376 HydrophobicContact CG-CB 4.04Å; L349-L380 HydrophobicContact CD1-CD1 3.62Å; L349-T418 HydrophobicContact CB-CG2 4.22Å; L349-T418 HydrophobicContact CD1-CG2 4.13Å; L349-T422 HydrophobicContact CD2-CG2 4.09Å
350N88.1Confident80.4Confident75 Ų7552 Ų5240%0.40132%0.322SS..Hα-helixtrans-64.7-42.4175-69.8-25.1000111M346 A347 F348 C352 S353 S354M346-N350 WeakPolarHBondContact O-CB 3.11Å; M346-N350 PolarHBondContact O-N 3.38Å; M346-N350 PolarHBondContact O-ND2 2.98Å; A347-N350 PolarHBondContact O-N 2.89Å; F348-N350 VanDerWaalsContact C-N 3.34Å; F348-N350 PolarHBondContact O-N 3.4Å; N350-C352 PolarHBondContact O-N 3.41Å; N350-S353 WeakPolarHBondContact O-CA 3.34Å; N350-S353 VanDerWaalsContact O-CB 3.29Å; N350-S353 WeakPolarHBondContact O-CB 3.23Å; N350-S353 PolarHBondContact O-N 3.42Å; N350-S354 PolarHBondContact O-N 3.13Å; N350-S354 PolarHBondContact O-OG 2.92Å
351A85.4Confident78.8Confident21 Ų2154.8 Ų54.817%0.17434%0.344CS..Hα-helixtrans-63.2-38.9176.300000112.5A347 F348 S353 G355 Y360A347-A351 PolarHBondContact O-N 3.23Å; F348-A351 PolarHBondContact O-N 3.44Å; A351-S353 PolarHBondContact O-N 3.4Å; A351-G355 PolarHBondContact O-N 3.26Å; A351-G355 VanDerWaalsContact O-N 3.12Å; A351-Y360 HydrophobicContact CB-CE2 4.41Å
352C83.6Confident77.1Confident55 Ų5565 Ų6537%0.37238%0.382SS..Hα-helixtrans-60.4-24.5171.6-66.90000113.1F348 L349 N350F348-C352 PolarHBondContact O-N 3.36Å; F348-C352 PolarHBondContact O-SG 2.89Å; F348-C352 VanDerWaalsContact O-SG 3.34Å; L349-C352 PolarHBondContact O-N 2.91Å; N350-C352 PolarHBondContact O-N 3.41Å
353S76.2Confident75.6Confident41 Ų4170.6 Ų70.629%0.28741%0.408SS..Hα-helixtrans-92.5-36.1-175.7-50.50000113.1L349 N350 A351 Q425 L427L349-S353 PolarHBondContact O-N 2.99Å; L349-S353 PolarHBondContact O-OG 2.88Å; N350-S353 WeakPolarHBondContact O-CA 3.34Å; N350-S353 VanDerWaalsContact O-CB 3.29Å; N350-S353 WeakPolarHBondContact O-CB 3.23Å; N350-S353 PolarHBondContact O-N 3.42Å; A351-S353 PolarHBondContact O-N 3.4Å; S353-Q425 PolarHBondContact OG-OE1 2.88Å; S353-L427 WeakPolarHBondContact OG-CD1 3.48Å
354S72.3Confident74.7Confident80 Ų8068 Ų6856%0.55940%0.397SS*.Hα-helixtrans-91-20-176.558.40000113.9N350 D356N350-S354 PolarHBondContact O-N 3.13Å; N350-S354 PolarHBondContact O-OG 2.92Å; S354-D356 PolarHBondContact O-N 2.97Å
355G64.1Low73.8Confident73 Ų7368.6 Ų68.675%0.75340%0.404SS*.  trans72.82-174.600000114.2A351A351-G355 PolarHBondContact O-N 3.26Å; A351-G355 VanDerWaalsContact O-N 3.12Å
356D59.6Low73.3Confident123 Ų12374.7 Ų74.766%0.65843%0.432SS*.  trans-96.6120174.5-101.2-24.1000110S354S354-D356 PolarHBondContact O-N 2.97Å
357S56.3Low73.2Confident120 Ų12075 Ų7584%0.83944%0.435SS*.  trans-88.3100.6171640000109.6
358S55.8Low73.1Confident78 Ų7874 Ų7455%0.54543%0.426SS..  trans-125.1133.8172.163.30000112.7Y360S358-Y360 WeakPolarHBondContact O-CE2 3.41Å
359D53Low73.1Confident165 Ų16577.5 Ų77.588%0.88245%0.449SS*.SBendtrans41.772.4166.3-71-10.3000119.2
360Y54.3Low73.2Confident66 Ų6680.6 Ų80.626%0.25947%0.474SS..  trans-119.9156.6156.3-57.3-68.8000111A347 A351 S358 R362A347-Y360 WeakPolarHBondContact CA-OH 3.37Å; A347-Y360 HydrophobicContact CB-CE1 3.42Å; A347-Y360 VanDerWaalsContact CB-CE1 3.42Å; A347-Y360 VanDerWaalsContact CB-CZ 3.5Å; A347-Y360 WeakPolarHBondContact CB-OH 3.36Å; A347-Y360 PolarHBondContact O-OH 3.34Å; A351-Y360 HydrophobicContact CB-CE2 4.41Å; S358-Y360 WeakPolarHBondContact O-CE2 3.41Å; Y360-R362 PolarHBondContact O-N 3.04Å
361S61Low73.5Confident83 Ų8377.1 Ų77.158%0.5846%0.455SS*.  trans-53.6126.8156.7172.60000109H363 L364 S365S361-H363 PolarHBondContact O-N 2.87Å; S361-H363 VanDerWaalsContact O-N 3.14Å; S361-L364 PolarHBondContact O-N 3.21Å; S361-L364 VanDerWaalsContact O-N 3.11Å; S361-S365 PolarHBondContact O-N 3.43Å; S361-S365 VanDerWaalsContact O-N 3.11Å
362R62.3Low73.8Confident214 Ų21476.7 Ų76.781%0.80845%0.453SS*.Hα-helixtrans-50.8-40.4-177.8-79.2-176.1172.3152.1-0.9112.1Y360 S365 E366Y360-R362 PolarHBondContact O-N 3.04Å; R362-S365 WeakPolarHBondContact O-CB 3.47Å; R362-S365 PolarHBondContact O-N 3.4Å; R362-E366 WeakPolarHBondContact O-CG 3.44Å; R362-E366 PolarHBondContact O-N 2.91Å
363H64.4Low74.2Confident118 Ų11875.8 Ų75.855%0.54645%0.447SS..Hα-helixtrans-66-42-177.9-176.1-84.1000113S361 E366 T367S361-H363 PolarHBondContact O-N 2.87Å; S361-H363 VanDerWaalsContact O-N 3.14Å; H363-E366 PolarHBondContact O-N 3.15Å; H363-T367 PolarHBondContact O-N 3.37Å; H363-T367 PolarHBondContact O-OG1 2.72Å
364L77Confident75Confident24 Ų2474.9 Ų74.913%0.12644%0.437CS..Hα-helixtrans-68.6-38.2177.8-174.561000111.2E161 N344 S361 T367 L368E161-L364 HydrophobicContact CG-CD1 4.07Å; E161-L364 HydrophobicContact CG-CD2 4.34Å; N344-L364 HydrophobicContact CB-CD2 3.77Å; N344-L364 VanDerWaalsContact CG-CD2 3.42Å; N344-L364 WeakPolarHBondContact ND2-CD2 3.38Å; S361-L364 PolarHBondContact O-N 3.21Å; S361-L364 VanDerWaalsContact O-N 3.11Å; L364-T367 PolarHBondContact O-N 2.79Å; L364-L368 HydrophobicContact CD1-CD1 4.23Å; L364-L368 HydrophobicContact CD1-CG 4.26Å; L364-L368 HydrophobicContact CG-CD1 4.09Å; L364-L368 HydrophobicContact CG-CG 4.49Å; L364-L368 WeakPolarHBondContact O-CG 3.21Å; L364-L368 PolarHBondContact O-N 3.29Å
365S75.6Confident76Confident45 Ų4571.1 Ų71.132%0.31541%0.411SS..Hα-helixtrans-60-45.8173.7-171.90000111.7S361 R362 T369S361-S365 PolarHBondContact O-N 3.43Å; S361-S365 VanDerWaalsContact O-N 3.11Å; R362-S365 WeakPolarHBondContact O-CB 3.47Å; R362-S365 PolarHBondContact O-N 3.4Å; S365-T369 VanDerWaalsContact O-CB 3.24Å; S365-T369 WeakPolarHBondContact O-CB 3.43Å; S365-T369 PolarHBondContact O-N 3.45Å; S365-T369 PolarHBondContact O-OG1 3Å
366E84.3Confident77.5Confident131 Ų13167.7 Ų67.761%0.61238%0.375SS*.Hα-helixtrans-63.6-42.6178.4-74.3173-167.900111.8R362 H363 T369 A370R362-E366 WeakPolarHBondContact O-CG 3.44Å; R362-E366 PolarHBondContact O-N 2.91Å; H363-E366 PolarHBondContact O-N 3.15Å; E366-T369 PolarHBondContact O-N 3.31Å; E366-A370 WeakPolarHBondContact O-CB 3.36Å; E366-A370 PolarHBondContact O-N 2.63Å
367T90.1Very high79.1Confident21 Ų2161.9 Ų61.913%0.12934%0.344CS..Hα-helixtrans-63.4-53.2178.2-62.80000111.9S155 H363 L364 T369 A370 L371S155-T367 WeakPolarHBondContact O-CG2 3.48Å; H363-T367 PolarHBondContact O-N 3.37Å; H363-T367 PolarHBondContact O-OG1 2.72Å; L364-T367 PolarHBondContact O-N 2.79Å; T367-T369 VanDerWaalsContact C-N 3.26Å; T367-T369 PolarHBondContact O-N 3.21Å; T367-A370 PolarHBondContact O-N 2.91Å; T367-A370 VanDerWaalsContact O-N 3.12Å; T367-L371 HydrophobicContact CG2-CD1 4.05Å; T367-L371 WeakPolarHBondContact O-CG 3.47Å; T367-L371 PolarHBondContact O-N 3.45Å
368L91.3Very high80.9Confident5 Ų556.2 Ų56.23%0.02630%0.304CS..Hα-helixtrans-64.2-33.3179.5-68.9175.1000111.7F348 L364 L371 G372F348-L368 HydrophobicContact CB-CD1 3.75Å; F348-L368 HydrophobicContact CD1-CB 4.1Å; F348-L368 HydrophobicContact CD2-CB 3.72Å; F348-L368 HydrophobicContact CD2-CD1 4.41Å; F348-L368 HydrophobicContact CE1-CB 4.21Å; F348-L368 HydrophobicContact CE2-CB 3.85Å; F348-L368 HydrophobicContact CG-CB 3.85Å; F348-L368 HydrophobicContact CG-CD1 4.01Å; F348-L368 HydrophobicContact CZ-CB 4.1Å; F348-L368 VanDerWaalsContact CZ-O 3.24Å; F348-L368 WeakPolarHBondContact CZ-O 3.48Å; L364-L368 HydrophobicContact CD1-CD1 4.23Å; L364-L368 HydrophobicContact CD1-CG 4.26Å; L364-L368 HydrophobicContact CG-CD1 4.09Å; L364-L368 HydrophobicContact CG-CG 4.49Å; L364-L368 WeakPolarHBondContact O-CG 3.21Å; L364-L368 PolarHBondContact O-N 3.29Å; L368-L371 PolarHBondContact O-N 3.31Å; L368-G372 WeakPolarHBondContact O-CA 3.35Å; L368-G372 PolarHBondContact O-N 3.28Å
369T90.8Very high82.8Confident89 Ų8952.5 Ų52.555%0.54628%0.279SS..Hα-helixtrans-63.6-44.4172.6-58.70000111.5S365 E366 T367 L371 G372S365-T369 VanDerWaalsContact O-CB 3.24Å; S365-T369 WeakPolarHBondContact O-CB 3.43Å; S365-T369 PolarHBondContact O-N 3.45Å; S365-T369 PolarHBondContact O-OG1 3Å; E366-T369 PolarHBondContact O-N 3.31Å; T367-T369 VanDerWaalsContact C-N 3.26Å; T367-T369 PolarHBondContact O-N 3.21Å; T369-L371 VanDerWaalsContact C-N 3.33Å; T369-L371 PolarHBondContact O-N 3.31Å; T369-G372 PolarHBondContact O-N 2.63Å
370A92.3Very high84.8Confident65 Ų6544.7 Ų44.754%0.53724%0.237SC..Hα-helixtrans-65.7-35.6177.700000112.6V152 E366 T367V152-A370 HydrophobicContact CG2-CB 4.3Å; E366-A370 WeakPolarHBondContact O-CB 3.36Å; E366-A370 PolarHBondContact O-N 2.63Å; T367-A370 PolarHBondContact O-N 2.91Å; T367-A370 VanDerWaalsContact O-N 3.12Å
371L94.3Very high86.7Confident2 Ų243.1 Ų43.11%0.0123%0.232CC..Hα-helixtrans-79.2-30.6177.7-64.5178.8000112.8M1 Y38 V152 T367 L368 T369 H375M1-L371 PolarHBondContact N-O 3.04Å; Y38-L371 HydrophobicContact CD1-CD2 4.12Å; Y38-L371 HydrophobicContact CD2-CD2 3.71Å; Y38-L371 HydrophobicContact CE1-CD2 3.85Å; Y38-L371 HydrophobicContact CE2-CD2 3.4Å; Y38-L371 HydrophobicContact CG-CD2 4.06Å; Y38-L371 VanDerWaalsContact CZ-CD2 3.46Å; V152-L371 HydrophobicContact CG2-CD2 4.34Å; T367-L371 HydrophobicContact CG2-CD1 4.05Å; T367-L371 WeakPolarHBondContact O-CG 3.47Å; T367-L371 PolarHBondContact O-N 3.45Å; L368-L371 PolarHBondContact O-N 3.31Å; T369-L371 VanDerWaalsContact C-N 3.33Å; T369-L371 PolarHBondContact O-N 3.31Å; L371-H375 HydrophobicContact CB-CB 3.84Å
372G92.4Very high88.4Confident13 Ų1339.4 Ų39.413%0.13421%0.205CC..  trans81.3167.6175.200000115.4L368 T369 Y374 H375 A376L368-G372 WeakPolarHBondContact O-CA 3.35Å; L368-G372 PolarHBondContact O-N 3.28Å; T369-G372 PolarHBondContact O-N 2.63Å; G372-Y374 VanDerWaalsContact C-N 3.32Å; G372-Y374 PolarHBondContact O-N 3.2Å; G372-H375 WeakPolarHBondContact O-CB 3.31Å; G372-H375 PolarHBondContact O-N 3.33Å; G372-A376 PolarHBondContact O-N 3.48Å
373P91.8Very high90Very high35 Ų3529.2 Ų29.223%0.22717%0.167CC..Hα-helixtrans-63.4-32.1-172.924.8-35000113.8L349 H375 A376 A377L349-P373 HydrophobicContact CD2-CB 3.76Å; P373-H375 VanDerWaalsContact C-N 3.27Å; P373-H375 PolarHBondContact O-N 3.03Å; P373-A376 PolarHBondContact O-N 3.42Å; P373-A377 WeakPolarHBondContact O-CB 3.37Å; P373-A377 PolarHBondContact O-N 3.25Å
374Y92.2Very high91.5Very high23 Ų2324 Ų249%0.0914%0.144CC..Hα-helixtrans-60.3-37.4174-69.6-66.7000112.5R3 Y6 G372 F378 L428 Q430R3-Y374 HydrophobicContact CB-CE1 4.02Å; R3-Y374 HydrophobicContact CB-CE2 4.05Å; R3-Y374 HydrophobicContact CG-CE1 3.87Å; Y6-Y374 AromaticContact CD1-CD1 3.82Å; Y6-Y374 HydrophobicContact CD1-CD1 3.82Å; Y6-Y374 HydrophobicContact CD1-CE1 4.41Å; Y6-Y374 VanDerWaalsContact CD2-O 3.28Å; Y6-Y374 WeakPolarHBondContact CD2-O 3.18Å; Y6-Y374 AromaticContact CG-CD1 3.92Å; Y6-Y374 HydrophobicContact CG-CD1 3.92Å; G372-Y374 VanDerWaalsContact C-N 3.32Å; G372-Y374 PolarHBondContact O-N 3.2Å; Y374-F378 PolarHBondContact O-N 2.96Å; Y374-L428 HydrophobicContact CD1-CB 4.42Å; Y374-L428 HydrophobicContact CD1-CD2 3.46Å; Y374-L428 VanDerWaalsContact CD1-CD2 3.46Å; Y374-L428 VanDerWaalsContact CE1-CA 3.48Å; Y374-L428 HydrophobicContact CE1-CB 3.85Å; Y374-L428 HydrophobicContact CE1-CD2 3.71Å; Y374-L428 HydrophobicContact CE1-CG 4.39Å; Y374-L428 WeakPolarHBondContact CE1-O 3.45Å; Y374-L428 HydrophobicContact CG-CD2 4.21Å; Y374-L428 PolarHBondContact OH-O 3.37Å; Y374-L428 VanDerWaalsContact OH-O 3.13Å; Y374-Q430 PolarHBondContact OH-O 3.16Å
375H94.3Very high92.4Very high0 Ų024.6 Ų24.60%015%0.146CC..Hα-helixtrans-69.9-46.1176.5-165.6-67.1000111.3M1 Y38 S156 L371 G372 P373 A377 F378 D379M1-H375 HydrophobicContact CB-CB 3.86Å; M1-H375 HydrophobicContact CE-CB 4.44Å; Y38-H375 AromaticContact CE1-CD2 3.47Å; Y38-H375 VanDerWaalsContact CE1-CD2 3.47Å; Y38-H375 WeakPolarHBondContact CE1-CD2 3.43Å; Y38-H375 AromaticContact CE1-NE2 3.92Å; Y38-H375 AromaticContact CZ-CD2 3.66Å; Y38-H375 AromaticContact CZ-NE2 3.65Å; Y38-H375 PolarHBondContact OH-CD2 3.29Å; Y38-H375 PolarHBondContact OH-NE2 3.19Å; S156-H375 PolarHBondContact OG-CE1 3.24Å; L371-H375 HydrophobicContact CB-CB 3.84Å; G372-H375 WeakPolarHBondContact O-CB 3.31Å; G372-H375 PolarHBondContact O-N 3.33Å; P373-H375 VanDerWaalsContact C-N 3.27Å; P373-H375 PolarHBondContact O-N 3.03Å; H375-A377 VanDerWaalsContact C-N 3.27Å; H375-A377 PolarHBondContact O-N 3.04Å; H375-F378 WeakPolarHBondContact O-CB 3.46Å; H375-F378 PolarHBondContact O-N 2.98Å; H375-F378 VanDerWaalsContact O-N 3.15Å; H375-D379 VanDerWaalsContact CE1-CG 3.48Å; H375-D379 IonicContact CE1-OD1 3.61Å; H375-D379 PolarHBondContact CE1-OD1 3.11Å; H375-D379 IonicContact CE1-OD2 2.58Å; H375-D379 PolarHBondContact CE1-OD2 3.12Å; H375-D379 VanDerWaalsContact CE1-OD2 3.26Å; H375-D379 IonicContact ND1-OD1 3.28Å; H375-D379 PolarHBondContact ND1-OD1 2.78Å; H375-D379 IonicContact ND1-OD2 3.87Å; H375-D379 PolarHBondContact ND1-OD2 3.27Å; H375-D379 PolarHBondContact O-N 2.74Å
376A94.5Very high93.3Very high1 Ų122.5 Ų22.51%0.00813%0.131CC..Hα-helixtrans-61.1-38.6178.500000111.7R345 F348 L349 G372 P373 D379 L380R345-A376 HydrophobicContact CB-CB 4.42Å; R345-A376 HydrophobicContact CG-CB 4.18Å; F348-A376 HydrophobicContact CD1-CB 3.72Å; F348-A376 HydrophobicContact CE1-CB 4.06Å; L349-A376 HydrophobicContact CD1-CB 4.39Å; L349-A376 HydrophobicContact CD2-CB 3.99Å; L349-A376 HydrophobicContact CG-CB 4.04Å; G372-A376 PolarHBondContact O-N 3.48Å; P373-A376 PolarHBondContact O-N 3.42Å; A376-D379 PolarHBondContact O-N 3Å; A376-L380 WeakPolarHBondContact O-CG 3.29Å; A376-L380 PolarHBondContact O-N 2.72Å
377A93.2Very high93.9Very high1 Ų116.4 Ų16.41%0.00810%0.103CC..Hα-helixtrans-64.2-43.5173.500000112.2Y6 P373 H375 L380 Q381 L428Y6-A377 HydrophobicContact CE2-CB 3.85Å; P373-A377 WeakPolarHBondContact O-CB 3.37Å; P373-A377 PolarHBondContact O-N 3.25Å; H375-A377 VanDerWaalsContact C-N 3.27Å; H375-A377 PolarHBondContact O-N 3.04Å; A377-L380 PolarHBondContact O-N 3.14Å; A377-Q381 WeakPolarHBondContact O-CG 3.24Å; A377-Q381 PolarHBondContact O-N 2.97Å; A377-L428 HydrophobicContact CB-CD1 4.22Å; A377-L428 HydrophobicContact CB-CD2 4.06Å
378F94.2Very high94.2Very high1 Ų118.7 Ų18.70%0.00411%0.112CC..Hα-helixtrans-58.2-48.6173168.3-100.4000111.3M1 Y6 C9 M15 F42 Y374 H375 L380 Q381 R382M1-F378 HydrophobicContact CE-CB 4.06Å; M1-F378 HydrophobicContact CE-CD1 4.02Å; M1-F378 HydrophobicContact CE-CG 4.04Å; M1-F378 HydrophobicContact SD-CB 4.18Å; Y6-F378 HydrophobicContact CD2-CB 4.08Å; Y6-F378 HydrophobicContact CE2-CB 4.32Å; C9-F378 HydrophobicContact CB-CD2 4.19Å; C9-F378 HydrophobicContact CB-CE2 3.93Å; C9-F378 WeakPolarHBondContact SG-CD2 3.39Å; M15-F378 HydrophobicContact CE-CE2 4.44Å; M15-F378 HydrophobicContact CE-CZ 4.14Å; F42-F378 HydrophobicContact CE2-CD1 4.29Å; F42-F378 AromaticContact CE2-CE1 3.92Å; F42-F378 HydrophobicContact CE2-CE1 3.92Å; F42-F378 HydrophobicContact CE2-CZ 4.44Å; F42-F378 HydrophobicContact CZ-CD1 4.06Å; F42-F378 AromaticContact CZ-CE1 3.65Å; F42-F378 HydrophobicContact CZ-CE1 3.65Å; F42-F378 HydrophobicContact CZ-CE2 4.27Å; F42-F378 AromaticContact CZ-CZ 3.77Å; F42-F378 HydrophobicContact CZ-CZ 3.77Å; Y374-F378 PolarHBondContact O-N 2.96Å; H375-F378 WeakPolarHBondContact O-CB 3.46Å; H375-F378 PolarHBondContact O-N 2.98Å; H375-F378 VanDerWaalsContact O-N 3.15Å; F378-L380 VanDerWaalsContact C-N 3.35Å; F378-L380 PolarHBondContact O-N 3.14Å; F378-Q381 WeakPolarHBondContact O-CB 3.45Å; F378-Q381 PolarHBondContact O-N 3.34Å; F378-Q381 VanDerWaalsContact O-N 3.16Å; F378-R382 HydrophobicContact CD1-CG 4.44Å; F378-R382 HydrophobicContact CD2-CG 4.25Å; F378-R382 HydrophobicContact CE1-CG 4.01Å; F378-R382 HydrophobicContact CE2-CG 3.8Å; F378-R382 HydrophobicContact CZ-CG 3.67Å; F378-R382 WeakPolarHBondContact O-CG 2.85Å; F378-R382 PolarHBondContact O-N 3.48Å
379D95.8Very high94.4Very high0 Ų020.5 Ų20.50%013%0.125CC..Hα-helixtrans-56.5-47.9178.7-72.9-13.3000111.4W158 R345 H375 A376 Q381 R382 V383W158-D379 HydrophobicContact CH2-CB 4.4Å; W158-D379 HydrophobicContact CZ2-CB 3.54Å; W158-D379 VanDerWaalsContact CZ2-CG 3.45Å; W158-D379 WeakPolarHBondContact CZ2-OD1 3.36Å; R345-D379 HydrophobicContact CG-CB 3.88Å; R345-D379 IonicContact NE-OD2 3.85Å; R345-D379 PolarHBondContact NE-OD2 2.63Å; H375-D379 VanDerWaalsContact CE1-CG 3.48Å; H375-D379 IonicContact CE1-OD1 3.61Å; H375-D379 PolarHBondContact CE1-OD1 3.11Å; H375-D379 IonicContact CE1-OD2 2.58Å; H375-D379 PolarHBondContact CE1-OD2 3.12Å; H375-D379 VanDerWaalsContact CE1-OD2 3.26Å; H375-D379 IonicContact ND1-OD1 3.28Å; H375-D379 PolarHBondContact ND1-OD1 2.78Å; H375-D379 IonicContact ND1-OD2 3.87Å; H375-D379 PolarHBondContact ND1-OD2 3.27Å; H375-D379 PolarHBondContact O-N 2.74Å; A376-D379 PolarHBondContact O-N 3Å; D379-Q381 VanDerWaalsContact C-N 3.34Å; D379-Q381 PolarHBondContact O-N 3.34Å; D379-R382 PolarHBondContact O-N 3.41Å; D379-R382 VanDerWaalsContact O-N 3.13Å; D379-V383 WeakPolarHBondContact O-CG2 3.47Å; D379-V383 PolarHBondContact O-N 3.47Å
380L95.5Very high94.6Very high1 Ų116.3 Ų16.31%0.00510%0.099CC..Hα-helixtrans-60.5-40177-76.7-174.8000113.3A342 R345 M346 L349 A376 A377 F378 R382 V383 A384 I415 T418 I419A342-L380 HydrophobicContact CB-CD2 4.1Å; R345-L380 HydrophobicContact CB-CD1 4.18Å; R345-L380 HydrophobicContact CB-CD2 3.54Å; R345-L380 HydrophobicContact CB-CG 3.61Å; R345-L380 HydrophobicContact CG-CD2 4.39Å; R345-L380 HydrophobicContact CG-CG 4.35Å; M346-L380 HydrophobicContact CG-CD1 3.79Å; M346-L380 HydrophobicContact CG-CD2 3.89Å; L349-L380 HydrophobicContact CD1-CD1 3.62Å; A376-L380 WeakPolarHBondContact O-CG 3.29Å; A376-L380 PolarHBondContact O-N 2.72Å; A377-L380 PolarHBondContact O-N 3.14Å; F378-L380 VanDerWaalsContact C-N 3.35Å; F378-L380 PolarHBondContact O-N 3.14Å; L380-R382 VanDerWaalsContact C-N 3.3Å; L380-R382 PolarHBondContact O-N 3.05Å; L380-V383 PolarHBondContact O-N 3.47Å; L380-A384 WeakPolarHBondContact O-CB 3.27Å; L380-A384 PolarHBondContact O-N 2.84Å; L380-I415 HydrophobicContact CB-CG2 3.9Å; L380-I415 HydrophobicContact CD2-CG1 4.23Å; L380-I415 HydrophobicContact CD2-CG2 4.19Å; L380-I415 HydrophobicContact CG-CG2 4.45Å; L380-T418 HydrophobicContact CD1-CG2 4.18Å; L380-I419 HydrophobicContact CB-CD1 3.95Å; L380-I419 HydrophobicContact CB-CG1 4.1Å; L380-I419 HydrophobicContact CD1-CG1 4.3Å
381Q94.1Very high94.7Very high34 Ų3414.8 Ų14.816%0.1598%0.081CC..Hα-helixtrans-62.2-40.5175.5-71.6178.2-39.900111.6S10 A377 F378 D379 H385 I419S10-Q381 PolarHBondContact O-NE2 3.19Å; S10-Q381 PolarHBondContact O-OE1 3.32Å; A377-Q381 WeakPolarHBondContact O-CG 3.24Å; A377-Q381 PolarHBondContact O-N 2.97Å; F378-Q381 WeakPolarHBondContact O-CB 3.45Å; F378-Q381 PolarHBondContact O-N 3.34Å; F378-Q381 VanDerWaalsContact O-N 3.16Å; D379-Q381 VanDerWaalsContact C-N 3.34Å; D379-Q381 PolarHBondContact O-N 3.34Å; Q381-H385 PolarHBondContact O-N 3.07Å; Q381-H385 VanDerWaalsContact O-N 3.09Å; Q381-I419 HydrophobicContact CG-CD1 3.82Å
382R95.7Very high94.7Very high4 Ų419.1 Ų19.12%0.01511%0.111CC..Hα-helixtrans-68.4-42177.5-61.8-58.5-59.5146.45.1111.3L12 V13 W158 G284 I287 D288 F378 D379 L380 H385 I386L12-R382 PolarHBondContact O-NH1 3.11Å; V13-R382 PolarHBondContact O-NH1 3.07Å; W158-R382 HydrophobicContact CH2-CB 4.32Å; G284-R382 VanDerWaalsContact O-CG 3.3Å; G284-R382 WeakPolarHBondContact O-CG 3.35Å; G284-R382 PolarHBondContact O-NE 3.04Å; I287-R382 HydrophobicContact CG2-CB 4.35Å; D288-R382 IonicContact OD1-NH2 2.72Å; D288-R382 PolarHBondContact OD1-NH2 3.07Å; F378-R382 HydrophobicContact CD1-CG 4.44Å; F378-R382 HydrophobicContact CD2-CG 4.25Å; F378-R382 HydrophobicContact CE1-CG 4.01Å; F378-R382 HydrophobicContact CE2-CG 3.8Å; F378-R382 HydrophobicContact CZ-CG 3.67Å; F378-R382 WeakPolarHBondContact O-CG 2.85Å; F378-R382 PolarHBondContact O-N 3.48Å; D379-R382 PolarHBondContact O-N 3.41Å; D379-R382 VanDerWaalsContact O-N 3.13Å; L380-R382 VanDerWaalsContact C-N 3.3Å; L380-R382 PolarHBondContact O-N 3.05Å; R382-H385 PolarHBondContact O-N 3.43Å; R382-I386 WeakPolarHBondContact O-CG1 3.49Å; R382-I386 PolarHBondContact O-N 3.06Å; R382-I386 VanDerWaalsContact O-N 3.09Å
383V96.6Very high94.9Very high0 Ų019.6 Ų19.60%011%0.11CC..Hα-helixtrans-62.4-47174.5175.80000111.4W158 L338 V341 A342 D379 L380 H385 I386 I387 I415W158-V383 HydrophobicContact CH2-CG2 3.66Å; W158-V383 HydrophobicContact CZ2-CG2 4.49Å; W158-V383 HydrophobicContact CZ3-CG2 3.81Å; L338-V383 HydrophobicContact CB-CG1 4.07Å; L338-V383 HydrophobicContact CD2-CG1 4.29Å; L338-V383 HydrophobicContact CD2-CG2 4.43Å; V341-V383 HydrophobicContact CB-CG2 4.44Å; V341-V383 HydrophobicContact CG1-CG2 3.68Å; A342-V383 HydrophobicContact CB-CG1 3.97Å; D379-V383 WeakPolarHBondContact O-CG2 3.47Å; D379-V383 PolarHBondContact O-N 3.47Å; L380-V383 PolarHBondContact O-N 3.47Å; V383-H385 VanDerWaalsContact C-N 3.3Å; V383-H385 PolarHBondContact O-N 3.48Å; V383-I386 PolarHBondContact O-N 3.21Å; V383-I386 VanDerWaalsContact O-N 3.14Å; V383-I387 HydrophobicContact CG1-CD1 3.62Å; V383-I387 HydrophobicContact CG1-CG1 4.17Å; V383-I387 WeakPolarHBondContact O-CG1 3.35Å; V383-I387 PolarHBondContact O-N 2.86Å; V383-I415 HydrophobicContact CG1-CD1 3.94Å
384A95.6Very high95.1Very high8 Ų822.8 Ų22.87%0.06612%0.122CC..Hα-helixtrans-55.6-45.6177.300000111.9L380 I386 I387 E388 L412 I415L380-A384 WeakPolarHBondContact O-CB 3.27Å; L380-A384 PolarHBondContact O-N 2.84Å; A384-I386 PolarHBondContact O-N 3.04Å; A384-I387 PolarHBondContact O-N 3.14Å; A384-E388 WeakPolarHBondContact O-CG 3.46Å; A384-E388 PolarHBondContact O-N 3.32Å; A384-L412 HydrophobicContact CB-CD1 3.7Å; A384-L412 WeakPolarHBondContact O-CD1 3.39Å; A384-I415 HydrophobicContact CB-CG2 3.87Å
385H95Very high95.2Very high37 Ų3723 Ų2317%0.17113%0.125CC..Hα-helixtrans-61.7-43177.217752000112.7V13 Q381 R382 V383 E388 C389V13-H385 WeakPolarHBondContact CG1-CE1 3.47Å; V13-H385 PolarHBondContact O-CD2 3.06Å; V13-H385 PolarHBondContact O-NE2 3.13Å; V13-H385 VanDerWaalsContact O-NE2 3.11Å; Q381-H385 PolarHBondContact O-N 3.07Å; Q381-H385 VanDerWaalsContact O-N 3.09Å; R382-H385 PolarHBondContact O-N 3.43Å; V383-H385 VanDerWaalsContact C-N 3.3Å; V383-H385 PolarHBondContact O-N 3.48Å; H385-E388 WeakPolarHBondContact O-CB 3.32Å; H385-E388 PolarHBondContact O-N 3.29Å; H385-C389 PolarHBondContact CE1-SG 3.5Å; H385-C389 PolarHBondContact O-N 3.02Å; H385-C389 PolarHBondContact O-SG 3.39Å
386I96.2Very high95.2Very high2 Ų223.2 Ų23.21%0.0113%0.126CC..Hα-helixtrans-69.1-36.8178.2-61.6-58.7000111.3I287 D288 W291 F334 L338 R382 V383 A384 E388 C389 L390I287-I386 HydrophobicContact CG1-CG1 4.09Å; I287-I386 HydrophobicContact CG2-CD1 4.32Å; I287-I386 HydrophobicContact CG2-CG1 3.77Å; D288-I386 HydrophobicContact CB-CD1 4.05Å; W291-I386 HydrophobicContact CB-CD1 4.47Å; W291-I386 HydrophobicContact CB-CG2 4.45Å; W291-I386 HydrophobicContact CG-CG2 4.42Å; F334-I386 HydrophobicContact CE1-CG2 3.76Å; F334-I386 HydrophobicContact CZ-CG2 3.85Å; L338-I386 HydrophobicContact CD1-CB 4.27Å; L338-I386 HydrophobicContact CD1-CG2 3.61Å; L338-I386 HydrophobicContact CD2-CB 4.44Å; L338-I386 HydrophobicContact CD2-CG2 4.22Å; R382-I386 WeakPolarHBondContact O-CG1 3.49Å; R382-I386 PolarHBondContact O-N 3.06Å; R382-I386 VanDerWaalsContact O-N 3.09Å; V383-I386 PolarHBondContact O-N 3.21Å; V383-I386 VanDerWaalsContact O-N 3.14Å; A384-I386 PolarHBondContact O-N 3.04Å; I386-E388 VanDerWaalsContact C-N 3.32Å; I386-E388 PolarHBondContact O-N 3.48Å; I386-C389 WeakPolarHBondContact O-CB 3.38Å; I386-C389 PolarHBondContact O-N 3.09Å; I386-L390 WeakPolarHBondContact O-CB 3.37Å; I386-L390 PolarHBondContact O-N 2.94Å
387I96Very high95.1Very high3 Ų328.2 Ų28.22%0.01515%0.147CC..Hα-helixtrans-61.9-41.2173.5-68.3169.2000110.8L338 V383 A384 C389 L390 L391 P408 L411 L412 I415L338-I387 HydrophobicContact CB-CG1 4.47Å; L338-I387 HydrophobicContact CD1-CG1 4.12Å; V383-I387 HydrophobicContact CG1-CD1 3.62Å; V383-I387 HydrophobicContact CG1-CG1 4.17Å; V383-I387 WeakPolarHBondContact O-CG1 3.35Å; V383-I387 PolarHBondContact O-N 2.86Å; A384-I387 PolarHBondContact O-N 3.14Å; I387-C389 VanDerWaalsContact C-N 3.35Å; I387-C389 PolarHBondContact O-N 2.84Å; I387-L390 WeakPolarHBondContact O-CB 3.4Å; I387-L390 PolarHBondContact O-N 2.82Å; I387-L391 HydrophobicContact CG2-CD1 3.93Å; I387-L391 HydrophobicContact CG2-CG 4.27Å; I387-L391 WeakPolarHBondContact O-CB 3.34Å; I387-L391 VanDerWaalsContact O-CG 3.29Å; I387-L391 WeakPolarHBondContact O-CG 3.27Å; I387-L391 PolarHBondContact O-N 3.09Å; I387-P408 HydrophobicContact CG2-CB 3.9Å; I387-L411 HydrophobicContact CD1-CD2 3.57Å; I387-L411 HydrophobicContact CD1-CG 3.93Å; I387-L412 HydrophobicContact CG2-CB 3.97Å; I387-I415 HydrophobicContact CD1-CD1 3.76Å
388E95.7Very high94.9Very high69 Ų6934.1 Ų34.132%0.32217%0.17SC..Hα-helixtrans-59.6-44.3173.3-71.8168.8178.400111.9A384 H385 I386 L391 C392 L412 R416A384-E388 WeakPolarHBondContact O-CG 3.46Å; A384-E388 PolarHBondContact O-N 3.32Å; H385-E388 WeakPolarHBondContact O-CB 3.32Å; H385-E388 PolarHBondContact O-N 3.29Å; I386-E388 VanDerWaalsContact C-N 3.32Å; I386-E388 PolarHBondContact O-N 3.48Å; E388-L391 PolarHBondContact O-N 3.43Å; E388-C392 PolarHBondContact O-N 3.05Å; E388-C392 PolarHBondContact O-SG 3.16Å; E388-L412 HydrophobicContact CG-CD1 4.01Å; E388-L412 HydrophobicContact CG-CD2 3.64Å; E388-L412 HydrophobicContact CG-CG 4.49Å; E388-R416 IonicContact OE1-CZ 3.65Å; E388-R416 IonicContact OE1-NE 3.18Å; E388-R416 IonicContact OE1-NH2 3.87Å; E388-R416 PolarHBondContact OE1-NH2 3.42Å
389C95.7Very high94.5Very high42 Ų4234.7 Ų34.728%0.28417%0.172SC..Hα-helixtrans-62.8-42.1175.7-72.30000112.1H385 I386 I387 C392 N393H385-C389 PolarHBondContact CE1-SG 3.5Å; H385-C389 PolarHBondContact O-N 3.02Å; H385-C389 PolarHBondContact O-SG 3.39Å; I386-C389 WeakPolarHBondContact O-CB 3.38Å; I386-C389 PolarHBondContact O-N 3.09Å; I387-C389 VanDerWaalsContact C-N 3.35Å; I387-C389 PolarHBondContact O-N 2.84Å; C389-C392 PolarHBondContact O-N 3.31Å; C389-N393 PolarHBondContact O-N 3.46Å; C389-N393 VanDerWaalsContact O-N 3.16Å
390L94.8Very high93.7Very high1 Ų139.5 Ų39.51%0.00520%0.198CC..Hα-helixtrans-63.3-45.9178-172.371.9000111W291 F334 A335 I386 I387 C392 N393 F396W291-L390 HydrophobicContact CE3-CD1 4.47Å; W291-L390 HydrophobicContact CH2-CD1 3.44Å; W291-L390 VanDerWaalsContact CH2-CD1 3.44Å; W291-L390 HydrophobicContact CZ2-CD1 3.99Å; W291-L390 HydrophobicContact CZ3-CD1 3.72Å; F334-L390 HydrophobicContact CD1-CD1 4.47Å; A335-L390 HydrophobicContact CB-CD2 3.66Å; I386-L390 WeakPolarHBondContact O-CB 3.37Å; I386-L390 PolarHBondContact O-N 2.94Å; I387-L390 WeakPolarHBondContact O-CB 3.4Å; I387-L390 PolarHBondContact O-N 2.82Å; L390-C392 PolarHBondContact O-N 3.17Å; L390-N393 VanDerWaalsContact O-CB 3.32Å; L390-N393 WeakPolarHBondContact O-CB 3.33Å; L390-N393 PolarHBondContact O-N 3.05Å; L390-F396 HydrophobicContact CD1-CB 4.15Å; L390-F396 HydrophobicContact CD1-CD1 4.38Å; L390-F396 HydrophobicContact CD1-CD2 3.59Å; L390-F396 HydrophobicContact CD1-CE2 4.04Å; L390-F396 HydrophobicContact CD1-CG 3.77Å; L390-F396 HydrophobicContact CD2-CD1 4.42Å; L390-F396 HydrophobicContact CD2-CD2 4.15Å; L390-F396 HydrophobicContact CD2-CE1 4.05Å; L390-F396 HydrophobicContact CD2-CE2 3.76Å; L390-F396 HydrophobicContact CD2-CG 4.46Å; L390-F396 HydrophobicContact CD2-CZ 3.7Å; L390-F396 HydrophobicContact CG-CB 4.43Å; L390-F396 HydrophobicContact CG-CD1 3.81Å; L390-F396 HydrophobicContact CG-CD2 3.78Å; L390-F396 HydrophobicContact CG-CE1 3.94Å; L390-F396 HydrophobicContact CG-CE2 3.91Å; L390-F396 HydrophobicContact CG-CG 3.73Å; L390-F396 HydrophobicContact CG-CZ 3.98Å; L390-F396 WeakPolarHBondContact O-CD1 3.43Å
391L94.6Very high92.7Very high33 Ų3342.7 Ų42.717%0.17321%0.213CC..Hα-helixtrans-64-26.8175.4-74.4173.5000113I387 E388 K397 P408 E409 L412I387-L391 HydrophobicContact CG2-CD1 3.93Å; I387-L391 HydrophobicContact CG2-CG 4.27Å; I387-L391 WeakPolarHBondContact O-CB 3.34Å; I387-L391 VanDerWaalsContact O-CG 3.29Å; I387-L391 WeakPolarHBondContact O-CG 3.27Å; I387-L391 PolarHBondContact O-N 3.09Å; E388-L391 PolarHBondContact O-N 3.43Å; L391-K397 WeakPolarHBondContact O-CE 3.22Å; L391-P408 HydrophobicContact CD1-CB 4.41Å; L391-P408 HydrophobicContact CD2-CB 3.85Å; L391-P408 HydrophobicContact CD2-CG 4.07Å; L391-P408 HydrophobicContact CG-CB 4.16Å; L391-E409 HydrophobicContact CD1-CG 3.98Å; L391-E409 VanDerWaalsContact CD2-CD 3.46Å; L391-E409 HydrophobicContact CD2-CG 4.07Å; L391-E409 VanDerWaalsContact CD2-OE1 3.22Å; L391-E409 WeakPolarHBondContact CD2-OE1 3.39Å; L391-L412 HydrophobicContact CD1-CD2 4.12Å
392C95.6Very high91.4Very high94 Ų9445.7 Ų45.764%0.63524%0.238SC*.Hα-helixtrans-81.5-14.5173.3-66.20000113.4E388 C389 L390E388-C392 PolarHBondContact O-N 3.05Å; E388-C392 PolarHBondContact O-SG 3.16Å; C389-C392 PolarHBondContact O-N 3.31Å; L390-C392 PolarHBondContact O-N 3.17Å
393N96.4Very high89.5Confident22 Ų2251.6 Ų51.612%0.11828%0.275CS..  trans-79.9124.1-173.8-176.4-78.5000111.8W291 Q295 C389 L390 D395 F396 K397W291-N393 HydrophobicContact CH2-CB 4.4Å; W291-N393 HydrophobicContact CZ2-CB 3.94Å; Q295-N393 PolarHBondContact OE1-ND2 2.83Å; C389-N393 PolarHBondContact O-N 3.46Å; C389-N393 VanDerWaalsContact O-N 3.16Å; L390-N393 VanDerWaalsContact O-CB 3.32Å; L390-N393 WeakPolarHBondContact O-CB 3.33Å; L390-N393 PolarHBondContact O-N 3.05Å; N393-D395 PolarHBondContact O-N 2.91Å; N393-D395 WeakPolarHBondContact OD1-CB 3.3Å; N393-D395 PolarHBondContact OD1-N 3.39Å; N393-F396 HydrophobicContact CB-CB 4.13Å; N393-F396 PolarHBondContact O-N 2.97Å; N393-F396 PolarHBondContact OD1-N 3.41Å; N393-K397 WeakPolarHBondContact O-CG 3.06Å; N393-K397 PolarHBondContact O-N 3.39Å; N393-K397 VanDerWaalsContact O-N 3.12Å
394E95.1Very high88Confident102 Ų10253.1 Ų53.148%0.47729%0.285SS..Hα-helixtrans-66.8-33.2-175.8-67.5-59126.200113.7K397 R398E394-K397 IonicContact OE1-NZ 3.98Å; E394-K397 PolarHBondContact OE1-NZ 2.9Å; E394-R398 VanDerWaalsContact O-CG 3.28Å; E394-R398 WeakPolarHBondContact O-CG 2.94Å; E394-R398 PolarHBondContact O-N 3.06Å
395D94.6Very high86.7Confident28 Ų2858.5 Ų58.515%0.1532%0.317CS..Hα-helixtrans-72.3-33.4177.5-70.4-45.7000111.7L298 Q302 H316 Y331 N393 R398L298-D395 HydrophobicContact CD2-CB 3.66Å; Q302-D395 VanDerWaalsContact NE2-CG 3.32Å; Q302-D395 PolarHBondContact NE2-OD1 3.3Å; Q302-D395 VanDerWaalsContact NE2-OD1 3.15Å; Q302-D395 PolarHBondContact NE2-OD2 3.12Å; H316-D395 IonicContact ND1-OD1 3.26Å; Y331-D395 HydrophobicContact CE2-CB 4.03Å; N393-D395 PolarHBondContact O-N 2.91Å; N393-D395 WeakPolarHBondContact OD1-CB 3.3Å; N393-D395 PolarHBondContact OD1-N 3.39Å; D395-R398 PolarHBondContact O-N 3.23Å; D395-R398 IonicContact OD1-NH1 3.34Å; D395-R398 PolarHBondContact OD1-NH1 3.15Å
396F93.8Very high85.7Confident5 Ų557.1 Ų57.12%0.02231%0.311CS..Hα-helixtrans-65.6-45.3172.4-175.6-103.1000112.1Y331 A335 L390 N393 R398 L399 H401 L406 P408Y331-F396 HydrophobicContact CD2-CB 4.13Å; Y331-F396 HydrophobicContact CD2-CD2 4.36Å; A335-F396 HydrophobicContact CB-CE2 4.03Å; A335-F396 HydrophobicContact CB-CZ 4.25Å; L390-F396 HydrophobicContact CD1-CB 4.15Å; L390-F396 HydrophobicContact CD1-CD1 4.38Å; L390-F396 HydrophobicContact CD1-CD2 3.59Å; L390-F396 HydrophobicContact CD1-CE2 4.04Å; L390-F396 HydrophobicContact CD1-CG 3.77Å; L390-F396 HydrophobicContact CD2-CD1 4.42Å; L390-F396 HydrophobicContact CD2-CD2 4.15Å; L390-F396 HydrophobicContact CD2-CE1 4.05Å; L390-F396 HydrophobicContact CD2-CE2 3.76Å; L390-F396 HydrophobicContact CD2-CG 4.46Å; L390-F396 HydrophobicContact CD2-CZ 3.7Å; L390-F396 HydrophobicContact CG-CB 4.43Å; L390-F396 HydrophobicContact CG-CD1 3.81Å; L390-F396 HydrophobicContact CG-CD2 3.78Å; L390-F396 HydrophobicContact CG-CE1 3.94Å; L390-F396 HydrophobicContact CG-CE2 3.91Å; L390-F396 HydrophobicContact CG-CG 3.73Å; L390-F396 HydrophobicContact CG-CZ 3.98Å; L390-F396 WeakPolarHBondContact O-CD1 3.43Å; N393-F396 HydrophobicContact CB-CB 4.13Å; N393-F396 PolarHBondContact O-N 2.97Å; N393-F396 PolarHBondContact OD1-N 3.41Å; F396-R398 PolarHBondContact O-N 3.42Å; F396-R398 VanDerWaalsContact O-N 3.14Å; F396-L399 HydrophobicContact CD2-CD1 3.88Å; F396-L399 HydrophobicContact CE2-CD1 4.32Å; F396-L399 WeakPolarHBondContact O-CB 3.39Å; F396-L399 WeakPolarHBondContact O-CG 3.4Å; F396-L399 PolarHBondContact O-N 3.43Å; F396-H401 AromaticContact CE1-CE1 3.74Å; F396-H401 AromaticContact CZ-CE1 3.74Å; F396-H401 PolarHBondContact O-CE1 2.92Å; F396-H401 VanDerWaalsContact O-CE1 3.31Å; F396-H401 PolarHBondContact O-NE2 2.92Å; F396-L406 HydrophobicContact CZ-CD2 4.4Å; F396-P408 HydrophobicContact CE1-CG 4.07Å; F396-P408 HydrophobicContact CZ-CG 4.11Å
397K92.2Very high85.3Confident105 Ų10562.2 Ų62.246%0.45734%0.335SS..Hα-helixtrans-60.8-22.6178.4-68.7174.2-168.3168.20114.1L391 N393 E394 L399L391-K397 WeakPolarHBondContact O-CE 3.22Å; N393-K397 WeakPolarHBondContact O-CG 3.06Å; N393-K397 PolarHBondContact O-N 3.39Å; N393-K397 VanDerWaalsContact O-N 3.12Å; E394-K397 IonicContact OE1-NZ 3.98Å; E394-K397 PolarHBondContact OE1-NZ 2.9Å; K397-L399 VanDerWaalsContact C-N 3.33Å
398R90Very high85Confident126 Ų12662.6 Ų62.648%0.47534%0.337SS..THydrogen-bonded Turntrans-82.7-11.2178.6-72.4170.7-172.8147.50.6113.1H316 E394 D395 F396H316-R398 PolarHBondContact CE1-NH1 3.19Å; E394-R398 VanDerWaalsContact O-CG 3.28Å; E394-R398 WeakPolarHBondContact O-CG 2.94Å; E394-R398 PolarHBondContact O-N 3.06Å; D395-R398 PolarHBondContact O-N 3.23Å; D395-R398 IonicContact OD1-NH1 3.34Å; D395-R398 PolarHBondContact OD1-NH1 3.15Å; F396-R398 PolarHBondContact O-N 3.42Å; F396-R398 VanDerWaalsContact O-N 3.14Å
399L85.8Confident84.8Confident12 Ų1264.7 Ų64.76%0.06335%0.347CS..SBendtrans-70.8145.2179.4-57.5-178000110.3Q320 F396 K397 H401Q320-L399 HydrophobicContact CG-CD2 3.58Å; F396-L399 HydrophobicContact CD2-CD1 3.88Å; F396-L399 HydrophobicContact CE2-CD1 4.32Å; F396-L399 WeakPolarHBondContact O-CB 3.39Å; F396-L399 WeakPolarHBondContact O-CG 3.4Å; F396-L399 PolarHBondContact O-N 3.43Å; K397-L399 VanDerWaalsContact C-N 3.33Å; L399-H401 PolarHBondContact O-CD2 2.58Å; L399-H401 PolarHBondContact O-N 3.02Å; L399-H401 VanDerWaalsContact O-N 3.09Å
400D78.8Confident84.7Confident102 Ų10266 Ų6655%0.54536%0.355SS..  trans-72.8104.3172.1-174.43.1000109.4S402D400-S402 VanDerWaalsContact C-N 3.3Å; D400-S402 WeakPolarHBondContact OD1-CB 2.92Å; D400-S402 PolarHBondContact OD1-N 3.19Å; D400-S402 PolarHBondContact OD1-OG 3.38Å; D400-S402 PolarHBondContact OD2-OG 2.89Å; D400-S402 VanDerWaalsContact OD2-OG 3.09Å
401H74.8Confident84.7Confident68 Ų6866.4 Ų66.432%0.31536%0.357SS..  trans-84.1-2.9177.4-55.9-55.9000113F396 L399 T403 S404F396-H401 AromaticContact CE1-CE1 3.74Å; F396-H401 AromaticContact CZ-CE1 3.74Å; F396-H401 PolarHBondContact O-CE1 2.92Å; F396-H401 VanDerWaalsContact O-CE1 3.31Å; F396-H401 PolarHBondContact O-NE2 2.92Å; L399-H401 PolarHBondContact O-CD2 2.58Å; L399-H401 PolarHBondContact O-N 3.02Å; L399-H401 VanDerWaalsContact O-N 3.09Å; H401-T403 PolarHBondContact O-N 3.18Å; H401-S404 PolarHBondContact O-N 3.28Å
402S66.1Low84.8Confident97 Ų9765.4 Ų65.468%0.67835%0.351SS*.THydrogen-bonded Turntrans-64.5-26.7-173.169.50000113.9D400D400-S402 VanDerWaalsContact C-N 3.3Å; D400-S402 WeakPolarHBondContact OD1-CB 2.92Å; D400-S402 PolarHBondContact OD1-N 3.19Å; D400-S402 PolarHBondContact OD1-OG 3.38Å; D400-S402 PolarHBondContact OD2-OG 2.89Å; D400-S402 VanDerWaalsContact OD2-OG 3.09Å
403T56.8Low84.8Confident128 Ų12865.2 Ų65.279%0.78534%0.341SS*.THydrogen-bonded Turntrans-95.6-2.7176.4560000113.4H401H401-T403 PolarHBondContact O-N 3.18Å
404S65.6Low84.7Confident31 Ų3168.4 Ų68.422%0.21736%0.355CS..  trans-93.3126.6-174.1-166.20000111.6H401 L406H401-S404 PolarHBondContact O-N 3.28Å; S404-L406 PolarHBondContact O-N 3.28Å; S404-L406 WeakPolarHBondContact OG-CB 3.09Å; S404-L406 PolarHBondContact OG-N 3.44Å
405T66.6Low84.7Confident122 Ų12263.5 Ų63.575%0.74833%0.332SS*.  trans-73.53.3168.162.30000112.3K339K339-T405 PolarHBondContact NZ-O 2.87Å; K339-T405 VanDerWaalsContact NZ-O 3.16Å
406L74.6Confident84.7Confident8 Ų867.5 Ų67.54%0.04235%0.345CS..  trans-86.5123.4-179.7-161.4106.5000109.7A335 K339 F396 S404 P408A335-L406 VanDerWaalsContact C-CD1 3.45Å; A335-L406 HydrophobicContact CB-CD1 4.14Å; A335-L406 HydrophobicContact CB-CD2 3.34Å; A335-L406 HydrophobicContact CB-CG 4.38Å; A335-L406 VanDerWaalsContact O-CD1 3.31Å; A335-L406 WeakPolarHBondContact O-CD1 3.38Å; K339-L406 HydrophobicContact CB-CD1 3.74Å; K339-L406 HydrophobicContact CD-CD1 3.79Å; K339-L406 HydrophobicContact CG-CD1 4.39Å; F396-L406 HydrophobicContact CZ-CD2 4.4Å; S404-L406 PolarHBondContact O-N 3.28Å; S404-L406 WeakPolarHBondContact OG-CB 3.09Å; S404-L406 PolarHBondContact OG-N 3.44Å; L406-P408 HydrophobicContact CD2-CB 4.45Å; L406-P408 HydrophobicContact CD2-CG 3.67Å
407Q87.6Confident84.6Confident108 Ų10871 Ų7151%0.50536%0.364SS..  trans-121.982.1174.5-63.2-66.1-61.600107.5E409 T410 L411Q407-E409 VanDerWaalsContact C-N 3.28Å; Q407-E409 PolarHBondContact O-N 2.75Å; Q407-T410 PolarHBondContact O-N 2.99Å; Q407-L411 WeakPolarHBondContact O-CB 3.12Å; Q407-L411 PolarHBondContact O-N 3.04Å
408P89.8Confident84.6Confident11 Ų1166.7 Ų66.77%0.07135%0.347CS..Hα-helixtrans-60.5-35-170.5-6.411.1000113.2I387 L391 F396 L406 L411 L412I387-P408 HydrophobicContact CG2-CB 3.9Å; L391-P408 HydrophobicContact CD1-CB 4.41Å; L391-P408 HydrophobicContact CD2-CB 3.85Å; L391-P408 HydrophobicContact CD2-CG 4.07Å; L391-P408 HydrophobicContact CG-CB 4.16Å; F396-P408 HydrophobicContact CE1-CG 4.07Å; F396-P408 HydrophobicContact CZ-CG 4.11Å; L406-P408 HydrophobicContact CD2-CB 4.45Å; L406-P408 HydrophobicContact CD2-CG 3.67Å; P408-L411 PolarHBondContact O-N 3.19Å; P408-L412 VanDerWaalsContact O-CB 3.26Å; P408-L412 WeakPolarHBondContact O-CB 3.15Å; P408-L412 PolarHBondContact O-N 3.34Å
409E92.4Very high84.5Confident113 Ų11361.5 Ų61.553%0.52833%0.328SS..Hα-helixtrans-65.8-43.8176.6-65.584.716800111.8L391 Q407 L412 Q413L391-E409 HydrophobicContact CD1-CG 3.98Å; L391-E409 VanDerWaalsContact CD2-CD 3.46Å; L391-E409 HydrophobicContact CD2-CG 4.07Å; L391-E409 VanDerWaalsContact CD2-OE1 3.22Å; L391-E409 WeakPolarHBondContact CD2-OE1 3.39Å; Q407-E409 VanDerWaalsContact C-N 3.28Å; Q407-E409 PolarHBondContact O-N 2.75Å; E409-L412 PolarHBondContact O-N 2.97Å; E409-Q413 PolarHBondContact O-N 2.65Å
410T93.7Very high84.5Confident71 Ų7167.7 Ų67.744%0.43636%0.357SS..Hα-helixtrans-64.6-44.9175.8-56.20000110.7Q407 L412 Q413 Q414Q407-T410 PolarHBondContact O-N 2.99Å; T410-L412 VanDerWaalsContact C-N 3.35Å; T410-L412 PolarHBondContact O-N 3.32Å; T410-Q413 PolarHBondContact O-N 2.82Å; T410-Q414 WeakPolarHBondContact O-CG 3.42Å; T410-Q414 PolarHBondContact O-N 3.13Å
411L94.6Very high84.7Confident9 Ų965.2 Ų65.25%0.04735%0.348CS..Hα-helixtrans-60.3-45.2176.7178.962.7000111.2K339 A342 M346 I387 Q407 P408 Q413 Q414 I415K339-L411 HydrophobicContact CB-CD2 3.83Å; K339-L411 HydrophobicContact CG-CD2 4.14Å; A342-L411 HydrophobicContact CB-CD1 3.94Å; A342-L411 HydrophobicContact CB-CD2 4.45Å; A342-L411 HydrophobicContact CB-CG 4.48Å; M346-L411 HydrophobicContact CE-CD1 3.84Å; I387-L411 HydrophobicContact CD1-CD2 3.57Å; I387-L411 HydrophobicContact CD1-CG 3.93Å; Q407-L411 WeakPolarHBondContact O-CB 3.12Å; Q407-L411 PolarHBondContact O-N 3.04Å; P408-L411 PolarHBondContact O-N 3.19Å; L411-Q413 VanDerWaalsContact C-N 3.3Å; L411-Q413 PolarHBondContact O-N 2.87Å; L411-Q414 PolarHBondContact O-N 2.77Å; L411-I415 HydrophobicContact CD1-CD1 4.24Å; L411-I415 HydrophobicContact CD1-CG1 4.32Å; L411-I415 HydrophobicContact CG-CD1 3.94Å; L411-I415 HydrophobicContact CG-CG1 4.46Å; L411-I415 VanDerWaalsContact O-CG1 3.23Å; L411-I415 WeakPolarHBondContact O-CG1 3.5Å; L411-I415 PolarHBondContact O-N 2.89Å
412L95.4Very high84.8Confident12 Ų1262.1 Ų62.16%0.06333%0.333CS..Hα-helixtrans-59-41.8176.7179.660.7000111.9A384 I387 E388 L391 P408 E409 T410 I415 R416A384-L412 HydrophobicContact CB-CD1 3.7Å; A384-L412 WeakPolarHBondContact O-CD1 3.39Å; I387-L412 HydrophobicContact CG2-CB 3.97Å; E388-L412 HydrophobicContact CG-CD1 4.01Å; E388-L412 HydrophobicContact CG-CD2 3.64Å; E388-L412 HydrophobicContact CG-CG 4.49Å; L391-L412 HydrophobicContact CD1-CD2 4.12Å; P408-L412 VanDerWaalsContact O-CB 3.26Å; P408-L412 WeakPolarHBondContact O-CB 3.15Å; P408-L412 PolarHBondContact O-N 3.34Å; E409-L412 PolarHBondContact O-N 2.97Å; T410-L412 VanDerWaalsContact C-N 3.35Å; T410-L412 PolarHBondContact O-N 3.32Å; L412-I415 PolarHBondContact O-N 3.39Å; L412-R416 WeakPolarHBondContact O-CG 3.46Å; L412-R416 PolarHBondContact O-N 3.29Å; L412-R416 VanDerWaalsContact O-N 3.09Å
413Q95.7Very high85.1Confident90 Ų9062.4 Ų62.442%0.42132%0.319SS..Hα-helixtrans-65.3-46176.1-171.958.346.800111.5E409 T410 L411 I415 R416 D417E409-Q413 PolarHBondContact O-N 2.65Å; T410-Q413 PolarHBondContact O-N 2.82Å; L411-Q413 VanDerWaalsContact C-N 3.3Å; L411-Q413 PolarHBondContact O-N 2.87Å; Q413-I415 VanDerWaalsContact C-N 3.32Å; Q413-I415 PolarHBondContact O-N 3.35Å; Q413-R416 PolarHBondContact O-N 3.44Å; Q413-R416 VanDerWaalsContact O-N 3.17Å; Q413-D417 PolarHBondContact NE2-OD1 3.19Å; Q413-D417 VanDerWaalsContact O-CG 3.25Å; Q413-D417 PolarHBondContact O-N 3.47Å
414Q95.6Very high85.2Confident88 Ų8859 Ų5941%0.41131%0.31SS..Hα-helixtrans-57.4-44.9176.2-72.3172.3-23.300111.7M346 T410 L411 R416 D417 T418M346-Q414 HydrophobicContact CE-CB 4.33Å; M346-Q414 HydrophobicContact SD-CB 3.91Å; T410-Q414 WeakPolarHBondContact O-CG 3.42Å; T410-Q414 PolarHBondContact O-N 3.13Å; L411-Q414 PolarHBondContact O-N 2.77Å; Q414-R416 VanDerWaalsContact C-N 3.35Å; Q414-R416 PolarHBondContact O-N 3.2Å; Q414-D417 PolarHBondContact O-N 3.17Å; Q414-T418 PolarHBondContact O-N 3.48Å; Q414-T418 PolarHBondContact O-OG1 3Å
415I95.1Very high84.9Confident0 Ų061.7 Ų61.70%032%0.319CS..Hα-helixtrans-59.6-46.3177.3-67.2165.9000110.9A342 M346 L380 V383 A384 I387 L411 L412 Q413 T418 I419A342-I415 HydrophobicContact CB-CD1 3.69Å; A342-I415 HydrophobicContact CB-CG1 4.01Å; M346-I415 HydrophobicContact CE-CG1 4.4Å; M346-I415 HydrophobicContact SD-CB 4.48Å; M346-I415 HydrophobicContact SD-CG1 3.92Å; L380-I415 HydrophobicContact CB-CG2 3.9Å; L380-I415 HydrophobicContact CD2-CG1 4.23Å; L380-I415 HydrophobicContact CD2-CG2 4.19Å; L380-I415 HydrophobicContact CG-CG2 4.45Å; V383-I415 HydrophobicContact CG1-CD1 3.94Å; A384-I415 HydrophobicContact CB-CG2 3.87Å; I387-I415 HydrophobicContact CD1-CD1 3.76Å; L411-I415 HydrophobicContact CD1-CD1 4.24Å; L411-I415 HydrophobicContact CD1-CG1 4.32Å; L411-I415 HydrophobicContact CG-CD1 3.94Å; L411-I415 HydrophobicContact CG-CG1 4.46Å; L411-I415 VanDerWaalsContact O-CG1 3.23Å; L411-I415 WeakPolarHBondContact O-CG1 3.5Å; L411-I415 PolarHBondContact O-N 2.89Å; L412-I415 PolarHBondContact O-N 3.39Å; Q413-I415 VanDerWaalsContact C-N 3.32Å; Q413-I415 PolarHBondContact O-N 3.35Å; I415-T418 PolarHBondContact O-N 3.38Å; I415-I419 HydrophobicContact CG2-CD1 3.72Å; I415-I419 HydrophobicContact CG2-CG1 4.41Å; I415-I419 VanDerWaalsContact O-CG1 3.3Å; I415-I419 WeakPolarHBondContact O-CG1 3.15Å; I415-I419 PolarHBondContact O-N 3.03Å
416R93.2Very high84.7Confident111 Ų11161.5 Ų61.542%0.41931%0.31SS..Hα-helixtrans-61.9-44178.9-73.8171.2176.4169.9-1.9111.7E388 L412 Q413 Q414 I419 Q420E388-R416 IonicContact OE1-CZ 3.65Å; E388-R416 IonicContact OE1-NE 3.18Å; E388-R416 IonicContact OE1-NH2 3.87Å; E388-R416 PolarHBondContact OE1-NH2 3.42Å; L412-R416 WeakPolarHBondContact O-CG 3.46Å; L412-R416 PolarHBondContact O-N 3.29Å; L412-R416 VanDerWaalsContact O-N 3.09Å; Q413-R416 PolarHBondContact O-N 3.44Å; Q413-R416 VanDerWaalsContact O-N 3.17Å; Q414-R416 VanDerWaalsContact C-N 3.35Å; Q414-R416 PolarHBondContact O-N 3.2Å; R416-I419 PolarHBondContact O-N 2.98Å; R416-Q420 WeakPolarHBondContact O-CB 3.34Å; R416-Q420 PolarHBondContact O-N 3.28Å
417D92.8Very high84.1Confident80 Ų8062.9 Ų62.943%0.42832%0.317SS..Hα-helixtrans-63.7-43.6178.7-66-17.3000111.1Q413 Q414 Q420 S421Q413-D417 PolarHBondContact NE2-OD1 3.19Å; Q413-D417 VanDerWaalsContact O-CG 3.25Å; Q413-D417 PolarHBondContact O-N 3.47Å; Q414-D417 PolarHBondContact O-N 3.17Å; D417-Q420 PolarHBondContact O-N 3.46Å; D417-S421 WeakPolarHBondContact O-CB 3.28Å; D417-S421 PolarHBondContact O-N 2.91Å
418T91.7Very high82.7Confident14 Ų1457.9 Ų57.99%0.08629%0.294CS..Hα-helixtrans-61.2-49.5175.3-62.30000111.5M346 L349 L380 Q414 I415 Q420 S421 T422M346-T418 HydrophobicContact CB-CG2 4.18Å; M346-T418 HydrophobicContact CG-CG2 4.05Å; L349-T418 HydrophobicContact CB-CG2 4.22Å; L349-T418 HydrophobicContact CD1-CG2 4.13Å; L380-T418 HydrophobicContact CD1-CG2 4.18Å; Q414-T418 PolarHBondContact O-N 3.48Å; Q414-T418 PolarHBondContact O-OG1 3Å; I415-T418 PolarHBondContact O-N 3.38Å; T418-Q420 VanDerWaalsContact C-N 3.28Å; T418-Q420 PolarHBondContact O-N 3.34Å; T418-S421 PolarHBondContact O-N 3.09Å; T418-T422 PolarHBondContact O-N 2.77Å; T418-T422 PolarHBondContact O-OG1 2.96Å
419I87.3Confident80.9Confident17 Ų1762.7 Ų62.79%0.08731%0.311CS..Hα-helixtrans-58.7-41.5178.4-67.8165.1000111L380 Q381 I415 R416 R423L380-I419 HydrophobicContact CB-CD1 3.95Å; L380-I419 HydrophobicContact CB-CG1 4.1Å; L380-I419 HydrophobicContact CD1-CG1 4.3Å; Q381-I419 HydrophobicContact CG-CD1 3.82Å; I415-I419 HydrophobicContact CG2-CD1 3.72Å; I415-I419 HydrophobicContact CG2-CG1 4.41Å; I415-I419 VanDerWaalsContact O-CG1 3.3Å; I415-I419 WeakPolarHBondContact O-CG1 3.15Å; I415-I419 PolarHBondContact O-N 3.03Å; R416-I419 PolarHBondContact O-N 2.98Å; I419-R423 WeakPolarHBondContact O-CG 3.46Å; I419-R423 PolarHBondContact O-N 3.36Å; I419-R423 VanDerWaalsContact O-N 3.15Å
420Q85.9Confident78.9Confident142 Ų14263.5 Ų63.566%0.66432%0.315SS*.Hα-helixtrans-66-43.6178.4-174.6173.9-1.300111.7R416 D417 T418 R423 G424R416-Q420 WeakPolarHBondContact O-CB 3.34Å; R416-Q420 PolarHBondContact O-N 3.28Å; D417-Q420 PolarHBondContact O-N 3.46Å; T418-Q420 VanDerWaalsContact C-N 3.28Å; T418-Q420 PolarHBondContact O-N 3.34Å; Q420-R423 PolarHBondContact O-N 3.22Å; Q420-G424 PolarHBondContact O-N 3Å
421S83.5Confident76.4Confident50 Ų5072.2 Ų72.235%0.3535%0.35SS..Hα-helixtrans-60.1-48.4176.4-1760000111.7D417 T418 R423 G424 Q425D417-S421 WeakPolarHBondContact O-CB 3.28Å; D417-S421 PolarHBondContact O-N 2.91Å; T418-S421 PolarHBondContact O-N 3.09Å; S421-R423 VanDerWaalsContact C-N 3.27Å; S421-R423 PolarHBondContact O-N 3.28Å; S421-G424 PolarHBondContact O-N 3.23Å; S421-Q425 WeakPolarHBondContact O-CG 3.33Å; S421-Q425 PolarHBondContact O-N 3.15Å
422T77.2Confident75.5Confident2 Ų275.4 Ų75.41%0.01237%0.366CS..Hα-helixtrans-62.1-34.2179.7-47.20000112.1L349 T418 L427 L428L349-T422 HydrophobicContact CD2-CG2 4.09Å; T418-T422 PolarHBondContact O-N 2.77Å; T418-T422 PolarHBondContact O-OG1 2.96Å; T422-L427 HydrophobicContact CG2-CB 3.95Å; T422-L427 HydrophobicContact CG2-CD1 4.21Å; T422-L428 HydrophobicContact CG2-CD1 4.04Å; T422-L428 HydrophobicContact CG2-CD2 4.36Å; T422-L428 HydrophobicContact CG2-CG 3.88Å
423R72.3Confident74.5Confident103 Ų10378.7 Ų78.739%0.38938%0.382SS..Hα-helixtrans-68-43.5171.9-72176-177.4-164-2.3111.9I419 Q420 S421 Q425 H426 L428 Y429I419-R423 WeakPolarHBondContact O-CG 3.46Å; I419-R423 PolarHBondContact O-N 3.36Å; I419-R423 VanDerWaalsContact O-N 3.15Å; Q420-R423 PolarHBondContact O-N 3.22Å; S421-R423 VanDerWaalsContact C-N 3.27Å; S421-R423 PolarHBondContact O-N 3.28Å; R423-Q425 VanDerWaalsContact C-N 3.32Å; R423-Q425 PolarHBondContact O-N 2.77Å; R423-H426 PolarHBondContact O-N 3.38Å; R423-L428 HydrophobicContact CG-CD1 3.73Å; R423-Y429 HydrophobicContact CB-CE2 4.48Å
424G59.4Low73.3Confident57 Ų5778.1 Ų78.159%0.58838%0.379SS*.Hα-helixtrans-66.9-28.9-179.200000114.2Q420 S421 H426Q420-G424 PolarHBondContact O-N 3Å; S421-G424 PolarHBondContact O-N 3.23Å; G424-H426 VanDerWaalsContact C-N 3.26Å; G424-H426 PolarHBondContact O-N 3.13Å
425Q59.4Low72Confident88 Ų8877.5 Ų77.541%0.41138%0.377SS..THydrogen-bonded Turntrans-84.39.2178.3-70.1172.9-18.800114.1S353 S421 R423 L427S353-Q425 PolarHBondContact OG-OE1 2.88Å; S421-Q425 WeakPolarHBondContact O-CG 3.33Å; S421-Q425 PolarHBondContact O-N 3.15Å; R423-Q425 VanDerWaalsContact C-N 3.32Å; R423-Q425 PolarHBondContact O-N 2.77Å; Q425-L427 HydrophobicContact CB-CD1 4.06Å; Q425-L427 HydrophobicContact CB-CG 4.35Å; Q425-L427 PolarHBondContact O-N 2.99Å
426H62.3Low70.5Confident118 Ų11882.3 Ų82.355%0.54640%0.401SS..THydrogen-bonded Turntrans58.58.3-176.9-62.1-74.9000116R423 G424 L428 Y429 Q430R423-H426 PolarHBondContact O-N 3.38Å; G424-H426 VanDerWaalsContact C-N 3.26Å; G424-H426 PolarHBondContact O-N 3.13Å; H426-L428 PolarHBondContact O-N 3.46Å; H426-Y429 CarbonylContact O-C 3.57Å; H426-Y429 WeakPolarHBondContact O-CA 3.49Å; H426-Y429 PolarHBondContact O-N 3.2Å; H426-Q430 WeakPolarHBondContact O-CG 3.44Å; H426-Q430 PolarHBondContact O-N 3.36Å
427L60.6Low69Low36 Ų3680.4 Ų80.419%0.18840%0.4CS..THydrogen-bonded Turntrans-60-30.3176.4-76.2159.4000112.6S353 T422 Q425 Y429S353-L427 WeakPolarHBondContact OG-CD1 3.48Å; T422-L427 HydrophobicContact CG2-CB 3.95Å; T422-L427 HydrophobicContact CG2-CD1 4.21Å; Q425-L427 HydrophobicContact CB-CD1 4.06Å; Q425-L427 HydrophobicContact CB-CG 4.35Å; Q425-L427 PolarHBondContact O-N 2.99Å; L427-Y429 VanDerWaalsContact C-N 3.35Å
428L58Low67.3Low4 Ų480.4 Ų80.42%0.02140%0.398CS..THydrogen-bonded Turntrans-92.58.9174.4-59.9171.4000113.5Y374 A377 T422 R423 H426Y374-L428 HydrophobicContact CD1-CB 4.42Å; Y374-L428 HydrophobicContact CD1-CD2 3.46Å; Y374-L428 VanDerWaalsContact CD1-CD2 3.46Å; Y374-L428 VanDerWaalsContact CE1-CA 3.48Å; Y374-L428 HydrophobicContact CE1-CB 3.85Å; Y374-L428 HydrophobicContact CE1-CD2 3.71Å; Y374-L428 HydrophobicContact CE1-CG 4.39Å; Y374-L428 WeakPolarHBondContact CE1-O 3.45Å; Y374-L428 HydrophobicContact CG-CD2 4.21Å; Y374-L428 PolarHBondContact OH-O 3.37Å; Y374-L428 VanDerWaalsContact OH-O 3.13Å; A377-L428 HydrophobicContact CB-CD1 4.22Å; A377-L428 HydrophobicContact CB-CD2 4.06Å; T422-L428 HydrophobicContact CG2-CD1 4.04Å; T422-L428 HydrophobicContact CG2-CD2 4.36Å; T422-L428 HydrophobicContact CG2-CG 3.88Å; R423-L428 HydrophobicContact CG-CD1 3.73Å; H426-L428 PolarHBondContact O-N 3.46Å
429Y53.1Low65.4Low112 Ų11285.5 Ų85.544%0.43942%0.422SS..THydrogen-bonded Turntrans-127.3-8.9-177.8-69.3-83.7000113.9R423 H426 L427R423-Y429 HydrophobicContact CB-CE2 4.48Å; H426-Y429 CarbonylContact O-C 3.57Å; H426-Y429 WeakPolarHBondContact O-CA 3.49Å; H426-Y429 PolarHBondContact O-N 3.2Å; L427-Y429 VanDerWaalsContact C-N 3.35Å
430Q49.4Very low63.6Low130 Ų13091.3 Ų91.361%0.60745%0.45SS*.  trans-76135.9172.9-73.5176.5-0.100110.3Y374 H426Y374-Q430 PolarHBondContact OH-O 3.16Å; H426-Q430 WeakPolarHBondContact O-CG 3.44Å; H426-Q430 PolarHBondContact O-N 3.36Å
431E42.4Very low61.6Low253 Ų25386.6 Ų86.6100%1.18243%0.43SS*.  trans-72.10-170-72.3-17615700114.5

Retrieved 431 of 431 residues in 93.5 ms (Link to these results)

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