A0A3Q0KQ87_SCHMA Loading...

Probable arginine--tRNA ligase, mitochondrial

Catalyzes the attachment of arginine to tRNA(Arg) in a two-step reaction: arginine is first activated by ATP to form Arg-AMP and then transferred to the acceptor end of tRNA(Arg).

AlphaFold DB , UniProt , Accession A0A3Q0KQ87, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 575 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M67Low81.5Confident143 Ų14372.6 Ų72.670%0.70434%0.343SS*.  0-55.90-153.9177.2-63.900111.5K3 S4 K5 W481M1-K3 PolarHBondContact O-N 3.49Å; M1-S4 WeakPolarHBondContact O-CA 3.21Å; M1-S4 WeakPolarHBondContact O-CB 3.22Å; M1-S4 PolarHBondContact O-N 3.23Å; M1-K5 PolarHBondContact O-N 3.3Å; M1-W481 HydrophobicContact CG-CE3 4.42Å
2E75.2Confident81.8Confident134 Ų13467.1 Ų67.163%0.62632%0.317SS*.Hα-helixtrans-56.8-44.5-175.6-165.155.8-149.800115S4 K5 K6E2-S4 VanDerWaalsContact C-N 3.32Å; E2-S4 PolarHBondContact O-N 3.38Å; E2-K5 WeakPolarHBondContact O-CB 3.23Å; E2-K5 PolarHBondContact O-N 3.23Å; E2-K6 PolarHBondContact O-N 2.48Å
3K76.4Confident81.6Confident190 Ų19063.9 Ų63.983%0.82630%0.301SS*.Hα-helixtrans-58.3-43.4174.1-69.6-174.1178.9-1780112.2M1 C7M1-K3 PolarHBondContact O-N 3.49Å; K3-C7 WeakPolarHBondContact O-CB 3.43Å; K3-C7 PolarHBondContact O-N 3.39Å
4S76.2Confident80.5Confident45 Ų4565.5 Ų65.532%0.31532%0.317SS..Hα-helixtrans-67.1-37177.6-47.90000111.6M1 E2 C7 L8M1-S4 WeakPolarHBondContact O-CA 3.21Å; M1-S4 WeakPolarHBondContact O-CB 3.22Å; M1-S4 PolarHBondContact O-N 3.23Å; E2-S4 VanDerWaalsContact C-N 3.32Å; E2-S4 PolarHBondContact O-N 3.38Å; S4-C7 PolarHBondContact O-N 3.21Å; S4-L8 WeakPolarHBondContact O-CB 3.22Å; S4-L8 WeakPolarHBondContact O-CG 3.47Å; S4-L8 PolarHBondContact O-N 2.76Å
5K83Confident80Confident31 Ų3166.3 Ų66.314%0.13532%0.324CS..Hα-helixtrans-63.4-51.4174.4-174.9175.6-176.8-171.70111.8M1 E2 C7 L8 R9 F475 F478 W481M1-K5 PolarHBondContact O-N 3.3Å; E2-K5 WeakPolarHBondContact O-CB 3.23Å; E2-K5 PolarHBondContact O-N 3.23Å; K5-C7 VanDerWaalsContact C-N 3.31Å; K5-C7 PolarHBondContact O-N 3.23Å; K5-L8 PolarHBondContact O-N 2.92Å; K5-R9 VanDerWaalsContact O-CB 3.32Å; K5-R9 WeakPolarHBondContact O-CB 3.45Å; K5-R9 PolarHBondContact O-N 3.49Å; K5-F475 HydrophobicContact CG-CE1 3.83Å; K5-F475 HydrophobicContact CG-CZ 4.06Å; K5-F475 WeakPolarHBondContact O-CZ 3.17Å; K5-F478 WeakPolarHBondContact CE-O 3.32Å; K5-F478 PolarHBondContact NZ-O 3.48Å; K5-W481 HydrophobicContact CB-CH2 3.84Å; K5-W481 HydrophobicContact CB-CZ2 3.8Å; K5-W481 HydrophobicContact CD-CZ2 4.34Å; K5-W481 HydrophobicContact CG-CH2 4.2Å; K5-W481 HydrophobicContact CG-CZ2 3.64Å
6K84.9Confident79.3Confident121 Ų12162.2 Ų62.253%0.52630%0.303SS..Hα-helixtrans-58.6-43.1175-174.8177.6179.6179.90112E2 R9 N10E2-K6 PolarHBondContact O-N 2.48Å; K6-R9 WeakPolarHBondContact O-CB 3.45Å; K6-N10 PolarHBondContact O-N 3.27Å
7C85.5Confident78.8Confident26 Ų2658.8 Ų58.818%0.17629%0.287CS..Hα-helixtrans-59.8-57.2175.6161.30000111.7K3 S4 K5 R9 N10 L11 C499K3-C7 WeakPolarHBondContact O-CB 3.43Å; K3-C7 PolarHBondContact O-N 3.39Å; S4-C7 PolarHBondContact O-N 3.21Å; K5-C7 VanDerWaalsContact C-N 3.31Å; K5-C7 PolarHBondContact O-N 3.23Å; C7-R9 VanDerWaalsContact C-N 3.28Å; C7-R9 PolarHBondContact O-N 3.06Å; C7-N10 PolarHBondContact O-N 2.97Å; C7-L11 WeakPolarHBondContact O-CG 3.41Å; C7-L11 PolarHBondContact O-N 2.97Å; C7-C499 HydrophobicContact CB-CB 4.16Å; C7-C499 WeakPolarHBondContact CB-SG 3.37Å; C7-C499 WeakPolarHBondContact SG-CA 3.43Å; C7-C499 WeakPolarHBondContact SG-CB 3.48Å; C7-C499 CovalentContact SG-SG 2.05Å; C7-C499 PolarHBondContact SG-SG 3.12Å
8L86.2Confident78.1Confident6 Ų658.7 Ų58.73%0.03129%0.29CS..Hα-helixtrans-59.3-39.7-178.8-76.1173000111.9S4 K5 N10 L11 L12 F475 W481 F491 A495 L498 I552 A555S4-L8 WeakPolarHBondContact O-CB 3.22Å; S4-L8 WeakPolarHBondContact O-CG 3.47Å; S4-L8 PolarHBondContact O-N 2.76Å; K5-L8 PolarHBondContact O-N 2.92Å; L8-N10 VanDerWaalsContact C-N 3.33Å; L8-N10 PolarHBondContact O-N 3.19Å; L8-L11 PolarHBondContact O-N 2.65Å; L8-L11 VanDerWaalsContact O-N 3.08Å; L8-L12 WeakPolarHBondContact O-CG 3.29Å; L8-L12 PolarHBondContact O-N 3.43Å; L8-L12 VanDerWaalsContact O-N 3.17Å; L8-F475 HydrophobicContact CB-CE2 4.25Å; L8-F475 HydrophobicContact CB-CZ 4.03Å; L8-W481 HydrophobicContact CB-CH2 4.48Å; L8-W481 HydrophobicContact CD1-CH2 3.57Å; L8-W481 HydrophobicContact CD1-CZ3 3.99Å; L8-F491 HydrophobicContact CD1-CZ 4.45Å; L8-A495 HydrophobicContact CD1-CB 4.28Å; L8-L498 HydrophobicContact CD2-CB 4.3Å; L8-L498 HydrophobicContact CD2-CD1 3.55Å; L8-I552 HydrophobicContact CD2-CG1 4.31Å; L8-A555 HydrophobicContact CD2-CB 4.21Å
9R87.6Confident77.5Confident73 Ų7360.3 Ų60.328%0.27529%0.293SS..Hα-helixtrans-52.7-48.4172.2-168.2-175.5-179.6-81.8-2.9112.4K5 K6 C7 L11 L12 I472 F475 D476K5-R9 VanDerWaalsContact O-CB 3.32Å; K5-R9 WeakPolarHBondContact O-CB 3.45Å; K5-R9 PolarHBondContact O-N 3.49Å; K6-R9 WeakPolarHBondContact O-CB 3.45Å; C7-R9 VanDerWaalsContact C-N 3.28Å; C7-R9 PolarHBondContact O-N 3.06Å; R9-L11 PolarHBondContact O-N 3.29Å; R9-L12 PolarHBondContact O-N 3.4Å; R9-I472 HydrophobicContact CG-CD1 4.11Å; R9-I472 HydrophobicContact CG-CG2 4.24Å; R9-I472 VanDerWaalsContact NH2-CG2 3.34Å; R9-I472 WeakPolarHBondContact O-CD1 3.41Å; R9-F475 HydrophobicContact CB-CD1 4.09Å; R9-F475 HydrophobicContact CB-CE1 3.57Å; R9-F475 HydrophobicContact CB-CZ 4.15Å; R9-F475 HydrophobicContact CG-CD1 4.05Å; R9-F475 HydrophobicContact CG-CE1 4.02Å; R9-D476 WeakPolarHBondContact CD-OD1 3.47Å; R9-D476 IonicContact CZ-OD1 3.07Å; R9-D476 IonicContact CZ-OD2 3.31Å; R9-D476 VanDerWaalsContact CZ-OD2 3.31Å; R9-D476 VanDerWaalsContact NE-CG 3.27Å; R9-D476 IonicContact NE-OD1 2.84Å; R9-D476 PolarHBondContact NE-OD1 2.87Å; R9-D476 IonicContact NE-OD2 2.92Å; R9-D476 PolarHBondContact NE-OD2 3.13Å; R9-D476 IonicContact NH2-OD2 3.4Å; R9-D476 PolarHBondContact NH2-OD2 3.18Å
10N85.7Confident76.7Confident27 Ų2758 Ų5814%0.14428%0.283CS..Hα-helixtrans-67.2-26.8-179.6-71.8-14.3000112.9K6 C7 L8 R19K6-N10 PolarHBondContact O-N 3.27Å; C7-N10 PolarHBondContact O-N 2.97Å; L8-N10 VanDerWaalsContact C-N 3.33Å; L8-N10 PolarHBondContact O-N 3.19Å; N10-R19 HydrophobicContact CB-CB 4.4Å
11L88.5Confident76Confident3 Ų355.9 Ų55.92%0.01627%0.273CS..Hα-helixtrans-84.3-13.9-179.2-61.3178.7000113.8C7 L8 R9 Y13 P16 V20 L498 F501 A555 N558 V559C7-L11 WeakPolarHBondContact O-CG 3.41Å; C7-L11 PolarHBondContact O-N 2.97Å; L8-L11 PolarHBondContact O-N 2.65Å; L8-L11 VanDerWaalsContact O-N 3.08Å; R9-L11 PolarHBondContact O-N 3.29Å; L11-Y13 VanDerWaalsContact C-N 3.3Å; L11-P16 HydrophobicContact CD2-CB 3.85Å; L11-V20 HydrophobicContact CD2-CG2 3.63Å; L11-L498 HydrophobicContact CD1-CB 3.72Å; L11-L498 HydrophobicContact CD1-CD2 4.4Å; L11-L498 WeakPolarHBondContact CD1-O 3.41Å; L11-F501 HydrophobicContact CD2-CD1 4.06Å; L11-A555 HydrophobicContact CB-CB 3.93Å; L11-N558 WeakPolarHBondContact O-CB 3.34Å; L11-N558 PolarHBondContact O-ND2 2.87Å; L11-N558 VanDerWaalsContact O-ND2 3.12Å; L11-V559 HydrophobicContact CB-CG2 4.2Å; L11-V559 HydrophobicContact CD1-CG2 4.1Å; L11-V559 HydrophobicContact CD2-CG2 3.75Å; L11-V559 HydrophobicContact CG-CG2 4.22Å
12L85.2Confident75.6Confident6 Ų654.5 Ų54.53%0.03127%0.266CS..SBendtrans-74.6-18.7176.1-76171.1000113.4L8 R9 L471 I472 F475 F551 L554 A555 N558L8-L12 WeakPolarHBondContact O-CG 3.29Å; L8-L12 PolarHBondContact O-N 3.43Å; L8-L12 VanDerWaalsContact O-N 3.17Å; R9-L12 PolarHBondContact O-N 3.4Å; L12-L471 HydrophobicContact CB-CD2 3.9Å; L12-L471 HydrophobicContact CD1-CD2 3.65Å; L12-L471 HydrophobicContact CD2-CD2 3.77Å; L12-L471 HydrophobicContact CG-CD2 3.96Å; L12-I472 HydrophobicContact CB-CD1 3.53Å; L12-I472 HydrophobicContact CD1-CD1 4.16Å; L12-I472 HydrophobicContact CG-CD1 4.49Å; L12-F475 HydrophobicContact CD1-CB 4.17Å; L12-F475 HydrophobicContact CD1-CD2 3.43Å; L12-F475 VanDerWaalsContact CD1-CD2 3.43Å; L12-F475 HydrophobicContact CD1-CE2 3.85Å; L12-F475 HydrophobicContact CD1-CG 3.82Å; L12-F551 HydrophobicContact CD1-CB 4.29Å; L12-F551 HydrophobicContact CD1-CD1 4.46Å; L12-F551 HydrophobicContact CD1-CG 4.39Å; L12-F551 HydrophobicContact CD2-CB 4.15Å; L12-F551 HydrophobicContact CD2-CD1 4.46Å; L12-F551 VanDerWaalsContact CD2-O 3.3Å; L12-F551 WeakPolarHBondContact CD2-O 3.43Å; L12-L554 HydrophobicContact CD2-CB 3.99Å; L12-A555 HydrophobicContact CD2-CB 4.18Å; L12-N558 VanDerWaalsContact C-ND2 3.3Å; L12-N558 PolarHBondContact O-ND2 3.18Å
13Y79.6Confident74.6Confident26 Ų2649.5 Ų49.510%0.10225%0.25CS..SBendtrans-65146.2172-70.8-83.2000111.7L11 N15 P16 R19 T468 I472 N558L11-Y13 VanDerWaalsContact C-N 3.3Å; Y13-N15 PolarHBondContact O-N 3.35Å; Y13-P16 WeakPolarHBondContact O-CD 3.32Å; Y13-R19 HydrophobicContact CD1-CG 4.46Å; Y13-R19 HydrophobicContact CD2-CB 4.36Å; Y13-R19 HydrophobicContact CD2-CG 3.6Å; Y13-R19 HydrophobicContact CE2-CG 4.27Å; Y13-R19 HydrophobicContact CG-CG 3.71Å; Y13-R19 PolarHBondContact OH-NH2 2.77Å; Y13-T468 HydrophobicContact CD1-CG2 3.6Å; Y13-T468 HydrophobicContact CE1-CG2 4.15Å; Y13-T468 HydrophobicContact CG-CG2 4.23Å; Y13-I472 HydrophobicContact CD2-CD1 4.16Å; Y13-I472 HydrophobicContact CE1-CG1 4.16Å; Y13-I472 HydrophobicContact CE2-CD1 3.85Å; Y13-I472 HydrophobicContact CE2-CG1 4.11Å; Y13-N558 PolarHBondContact O-ND2 3.46Å; Y13-N558 VanDerWaalsContact O-ND2 3.12Å
14T65.6Low73.3Confident86 Ų8644.4 Ų44.453%0.52823%0.232SC..SBendtrans-59.2-30.6-178.749.70000113.7P16T14-P16 WeakPolarHBondContact O-CD 3.43Å
15N73.5Confident71.5Confident78 Ų7851.7 Ų51.742%0.41726%0.261SS..  trans-115.883.8169.4-167.3-12.6000110.1Y13 V17 T18Y13-N15 PolarHBondContact O-N 3.35Å; N15-V17 PolarHBondContact O-N 3.35Å; N15-V17 PolarHBondContact OD1-N 2.99Å; N15-T18 VanDerWaalsContact CG-OG1 3.31Å; N15-T18 PolarHBondContact ND2-OG1 3.1Å; N15-T18 VanDerWaalsContact ND2-OG1 3.13Å
16P68.7Low69.4Low0 Ų053.8 Ų53.80%029%0.291CS..Hα-helixtrans-66.6-24.5-177.628.8-35.7000111.8L11 Y13 T14 R19 V20 F501 N558 V559 S562L11-P16 HydrophobicContact CD2-CB 3.85Å; Y13-P16 WeakPolarHBondContact O-CD 3.32Å; T14-P16 WeakPolarHBondContact O-CD 3.43Å; P16-R19 PolarHBondContact O-N 3.11Å; P16-V20 VanDerWaalsContact O-CB 3.31Å; P16-V20 WeakPolarHBondContact O-CB 3.29Å; P16-V20 WeakPolarHBondContact O-CG2 3.18Å; P16-V20 PolarHBondContact O-N 2.93Å; P16-F501 HydrophobicContact CG-CE1 4.47Å; P16-N558 HydrophobicContact CG-CB 4.15Å; P16-V559 HydrophobicContact CG-CG2 4.42Å; P16-S562 VanDerWaalsContact CD-OG 3.29Å; P16-S562 WeakPolarHBondContact CD-OG 3.49Å; P16-S562 WeakPolarHBondContact CG-OG 3.46Å
17V70.9Confident67.5Low4 Ų451 Ų512%0.02429%0.287CS..Hα-helixtrans-60.4-53.5179177.40000110.7N15 R19 V20 L21 A67 F501 L505N15-V17 PolarHBondContact O-N 3.35Å; N15-V17 PolarHBondContact OD1-N 2.99Å; V17-R19 PolarHBondContact O-N 2.92Å; V17-V20 PolarHBondContact O-N 3.13Å; V17-L21 HydrophobicContact CG1-CD1 3.99Å; V17-L21 VanDerWaalsContact O-CG 3.3Å; V17-L21 WeakPolarHBondContact O-CG 3.37Å; V17-L21 PolarHBondContact O-N 2.84Å; V17-A67 HydrophobicContact CG1-CB 3.68Å; V17-A67 WeakPolarHBondContact CG1-O 3.49Å; V17-F501 HydrophobicContact CG2-CE1 4.07Å; V17-F501 HydrophobicContact CG2-CZ 3.96Å; V17-L505 HydrophobicContact CB-CD2 4.29Å; V17-L505 HydrophobicContact CG1-CD1 4.41Å; V17-L505 HydrophobicContact CG1-CD2 3.55Å; V17-L505 HydrophobicContact CG2-CD2 4.32Å
18T66.7Low65.5Low57 Ų5754.1 Ų54.135%0.3531%0.309SS..Hα-helixtrans-58.5-37.6-179.8-44.70000111.6N15 M22N15-T18 VanDerWaalsContact CG-OG1 3.31Å; N15-T18 PolarHBondContact ND2-OG1 3.1Å; N15-T18 VanDerWaalsContact ND2-OG1 3.13Å; T18-M22 HydrophobicContact CG2-CE 3.96Å; T18-M22 WeakPolarHBondContact O-CB 3.39Å; T18-M22 WeakPolarHBondContact O-CG 3.2Å; T18-M22 PolarHBondContact O-N 2.92Å
19R66.3Low64Low90 Ų9061.8 Ų61.834%0.3435%0.35SS..Hα-helixtrans-74.4-39.9179.7-73.2-69-160.4-165.91.3113.4N10 Y13 P16 V17 L21 M22 G23N10-R19 HydrophobicContact CB-CB 4.4Å; Y13-R19 HydrophobicContact CD1-CG 4.46Å; Y13-R19 HydrophobicContact CD2-CB 4.36Å; Y13-R19 HydrophobicContact CD2-CG 3.6Å; Y13-R19 HydrophobicContact CE2-CG 4.27Å; Y13-R19 HydrophobicContact CG-CG 3.71Å; Y13-R19 PolarHBondContact OH-NH2 2.77Å; P16-R19 PolarHBondContact O-N 3.11Å; V17-R19 PolarHBondContact O-N 2.92Å; R19-L21 PolarHBondContact O-N 2.85Å; R19-M22 PolarHBondContact O-N 3.13Å; R19-G23 PolarHBondContact O-N 3.32Å
20V62.1Low63.1Low14 Ų1465.5 Ų65.59%0.08537%0.37CS..Hα-helixtrans-60.5-37.1174.51650000110.5L11 P16 V17 F501L11-V20 HydrophobicContact CD2-CG2 3.63Å; P16-V20 VanDerWaalsContact O-CB 3.31Å; P16-V20 WeakPolarHBondContact O-CB 3.29Å; P16-V20 WeakPolarHBondContact O-CG2 3.18Å; P16-V20 PolarHBondContact O-N 2.93Å; V17-V20 PolarHBondContact O-N 3.13Å; V20-F501 HydrophobicContact CG2-CD1 4.39Å
21L62.4Low63.1Low14 Ų1468 Ų687%0.07339%0.39CS..Hα-helixtrans-74-46.2177.1-63.2175.3000112.3V17 R19 G23 N24 S27 A67 F68 L505V17-L21 HydrophobicContact CG1-CD1 3.99Å; V17-L21 VanDerWaalsContact O-CG 3.3Å; V17-L21 WeakPolarHBondContact O-CG 3.37Å; V17-L21 PolarHBondContact O-N 2.84Å; R19-L21 PolarHBondContact O-N 2.85Å; L21-G23 VanDerWaalsContact C-N 3.27Å; L21-G23 PolarHBondContact O-N 3.04Å; L21-N24 PolarHBondContact O-N 2.91Å; L21-S27 PolarHBondContact O-OG 3.02Å; L21-A67 VanDerWaalsContact CD1-O 3.31Å; L21-A67 WeakPolarHBondContact CD1-O 3.45Å; L21-F68 HydrophobicContact CD1-CB 4.26Å; L21-F68 HydrophobicContact CD1-CD1 3.93Å; L21-F68 HydrophobicContact CD1-CD2 4.06Å; L21-F68 HydrophobicContact CD1-CE1 4.28Å; L21-F68 HydrophobicContact CD1-CE2 4.42Å; L21-F68 HydrophobicContact CD1-CG 3.82Å; L21-F68 HydrophobicContact CD2-CD1 3.82Å; L21-F68 HydrophobicContact CD2-CE1 3.41Å; L21-F68 VanDerWaalsContact CD2-CE1 3.41Å; L21-F68 HydrophobicContact CD2-CE2 4.34Å; L21-F68 HydrophobicContact CD2-CG 4.45Å; L21-F68 HydrophobicContact CD2-CZ 3.71Å; L21-L505 HydrophobicContact CD2-CD2 4.33Å; L21-L505 HydrophobicContact CG-CD2 4.45Å
22M58.2Low63.3Low114 Ų11470.5 Ų70.556%0.56240%0.401SS*.Hα-helixtrans-66.3-25.5176.7-70.9-166.8-67.200113.8T18 R19 N24T18-M22 HydrophobicContact CG2-CE 3.96Å; T18-M22 WeakPolarHBondContact O-CB 3.39Å; T18-M22 WeakPolarHBondContact O-CG 3.2Å; T18-M22 PolarHBondContact O-N 2.92Å; R19-M22 PolarHBondContact O-N 3.13Å; M22-N24 VanDerWaalsContact C-N 3.28Å; M22-N24 PolarHBondContact O-N 3.35Å
23G53.1Low63.7Low29 Ų2971.3 Ų71.330%0.29941%0.406SS..THydrogen-bonded Turntrans-76.5-11.7179.600000114.7R19 L21R19-G23 PolarHBondContact O-N 3.32Å; L21-G23 VanDerWaalsContact C-N 3.27Å; L21-G23 PolarHBondContact O-N 3.04Å
24N49.7Very low64.5Low82 Ų8270 Ų7044%0.43940%0.402SS..SBendtrans-91.197.6167.4-79.4-1.7000107.8L21 M22 G26 S27 H506L21-N24 PolarHBondContact O-N 2.91Å; M22-N24 VanDerWaalsContact C-N 3.28Å; M22-N24 PolarHBondContact O-N 3.35Å; N24-G26 VanDerWaalsContact C-N 3.25Å; N24-G26 PolarHBondContact O-N 2.93Å; N24-S27 PolarHBondContact O-N 2.78Å; N24-H506 PolarHBondContact ND2-NE2 2.8Å
25E37.7Very low66Low199 Ų19966 Ų6693%0.9338%0.377SS*.THydrogen-bonded Turntrans-53.592.6164.2-67.7178.9-179.900108.3
26G39.6Very low67.2Low75 Ų7562.2 Ų62.277%0.77336%0.357SS*.THydrogen-bonded Turntrans153.2-12.7-172.400000116.7N24 S28N24-G26 VanDerWaalsContact C-N 3.25Å; N24-G26 PolarHBondContact O-N 2.93Å; G26-S28 PolarHBondContact O-N 3Å
27S44.3Very low68.6Low63 Ų6362.5 Ų62.544%0.44136%0.358SS..  trans-77.1104167.660.10000109.3L21 N24 N29L21-S27 PolarHBondContact O-OG 3.02Å; N24-S27 PolarHBondContact O-N 2.78Å; S27-N29 PolarHBondContact O-N 3.17Å
28S45Very low69.9Low90 Ų9062.3 Ų62.363%0.62936%0.357SS*.  trans-44.7125.7171.351.30000110.8G26 H30G26-S28 PolarHBondContact O-N 3Å; S28-H30 PolarHBondContact O-N 2.86Å
29N53.2Low71.4Confident168 Ų16860 Ų6090%0.89834%0.343SS*.SBendtrans-60.518.4175.5-90.1-16.7000114.7S27 S31S27-N29 PolarHBondContact O-N 3.17Å; N29-S31 PolarHBondContact O-N 2.81Å
30H69Low72.8Confident151 Ų15157.4 Ų57.470%0.69934%0.338SS*.  trans-89.895.8-179-68.9-59.4000110.1S28 E32S28-H30 PolarHBondContact O-N 2.86Å; H30-E32 PolarHBondContact O-N 2.85Å
31S86.8Confident74.2Confident78 Ų7856.8 Ų56.855%0.54534%0.335SS..  trans-68.3104165.8-173.90000109.3N29 G69N29-S31 PolarHBondContact O-N 2.81Å; S31-G69 PolarHBondContact OG-O 3.14Å
32E91.1Very high75.5Confident56 Ų5657.8 Ų57.826%0.26234%0.34SS..  trans-75.7151.6170.7-60.4171.7151.500112H30 V34 H70 K71 D261 R262H30-E32 PolarHBondContact O-N 2.85Å; E32-V34 HydrophobicContact CB-CG2 4.35Å; E32-H70 PolarHBondContact N-ND1 3.49Å; E32-H70 WeakPolarHBondContact O-CA 3.26Å; E32-H70 WeakPolarHBondContact O-CB 3.46Å; E32-H70 IonicContact OE2-CE1 3.82Å; E32-H70 PolarHBondContact OE2-CE1 2.86Å; E32-H70 IonicContact OE2-ND1 3.83Å; E32-K71 PolarHBondContact O-N 3.01Å; E32-D261 VanDerWaalsContact CA-OD2 3.26Å; E32-D261 WeakPolarHBondContact CA-OD2 3.26Å; E32-D261 HydrophobicContact CB-CB 3.99Å; E32-D261 HydrophobicContact CG-CB 4.23Å; E32-R262 IonicContact OE2-CZ 3.25Å; E32-R262 IonicContact OE2-NE 3.23Å; E32-R262 PolarHBondContact OE2-NE 3.23Å; E32-R262 VanDerWaalsContact OE2-NE 3.07Å; E32-R262 IonicContact OE2-NH1 2.96Å; E32-R262 PolarHBondContact OE2-NH1 3.43Å; E32-R262 IonicContact OE2-NH2 2.73Å; E32-R262 PolarHBondContact OE2-NH2 2.94Å
33T95Very high76.8Confident23 Ų2353 Ų5314%0.14132%0.317CS..EExtended strand (participates in β ladder)trans-90.6117.1164.7-62.40000109.8K71 I73 F260 D261 R262T33-K71 CarbonylContact C-O 3.58Å; T33-K71 WeakPolarHBondContact CA-O 3.17Å; T33-K71 HydrophobicContact CG2-CD 4.45Å; T33-I73 HydrophobicContact CG2-CD1 3.43Å; T33-I73 VanDerWaalsContact CG2-CD1 3.43Å; T33-F260 HydrophobicContact CG2-CB 4.07Å; T33-D261 PolarHBondContact N-OD2 2.95Å; T33-D261 PolarHBondContact O-N 3.35Å; T33-R262 PolarHBondContact O-N 3.12Å
34V95.7Very high77.9Confident0 Ų051.8 Ų51.80%030%0.304CS..EExtended strand (participates in β ladder)trans-116.3123.9-176.4-174.50000110.1E32 V36 H70 K71 V72 I73 R262E32-V34 HydrophobicContact CB-CG2 4.35Å; V34-V36 HydrophobicContact CG1-CG2 4.17Å; V34-H70 HydrophobicContact CG2-CB 4.08Å; V34-K71 PolarHBondContact N-O 3Å; V34-V72 HydrophobicContact CB-CG2 4.49Å; V34-V72 CarbonylContact O-C 3.58Å; V34-V72 VanDerWaalsContact O-CA 3.3Å; V34-V72 WeakPolarHBondContact O-CA 3.43Å; V34-I73 PolarHBondContact O-N 3.03Å; V34-R262 WeakPolarHBondContact CA-O 3.42Å; V34-R262 VanDerWaalsContact CG2-NH2 3.32Å
35V97.8Very high79.3Confident0 Ų049.8 Ų49.80%029%0.291CS..EExtended strand (participates in β ladder)trans-95.9135171.8175.70000109.6I73 I75 Y258 F260 R262 I263 H264V35-I73 WeakPolarHBondContact CA-O 3.27Å; V35-I73 HydrophobicContact CG2-CB 4.23Å; V35-I73 HydrophobicContact CG2-CD1 4.4Å; V35-I75 HydrophobicContact CG1-CD1 3.46Å; V35-I75 VanDerWaalsContact CG1-CD1 3.46Å; V35-I75 HydrophobicContact CG1-CG1 4.11Å; V35-Y258 HydrophobicContact CG2-CD2 4.23Å; V35-F260 HydrophobicContact CB-CD1 4.33Å; V35-F260 HydrophobicContact CG2-CB 3.73Å; V35-F260 HydrophobicContact CG2-CD1 3.6Å; V35-F260 HydrophobicContact CG2-CE1 4.47Å; V35-F260 HydrophobicContact CG2-CG 3.88Å; V35-R262 PolarHBondContact N-O 3.21Å; V35-I263 HydrophobicContact CB-CB 4.14Å; V35-I263 HydrophobicContact CB-CD1 4.23Å; V35-I263 HydrophobicContact CB-CG1 3.91Å; V35-I263 HydrophobicContact CG1-CD1 3.86Å; V35-I263 HydrophobicContact CG1-CG1 3.88Å; V35-I263 CarbonylContact O-C 3.56Å; V35-I263 WeakPolarHBondContact O-CA 3.36Å; V35-H264 PolarHBondContact O-N 3.47Å
36V98.1Very high81.3Confident0 Ų040.5 Ų40.50%025%0.248CC..EExtended strand (participates in β ladder)trans-127.8112.1176.3-172.20000108.9V34 Y38 V61 V72 I73 I75 H264 V266V34-V36 HydrophobicContact CG1-CG2 4.17Å; V36-Y38 HydrophobicContact CB-CD1 4.4Å; V36-Y38 HydrophobicContact CG1-CD1 3.91Å; V36-Y38 HydrophobicContact CG1-CG 4.48Å; V36-Y38 WeakPolarHBondContact O-CD1 3.41Å; V36-V61 HydrophobicContact CG1-CB 4.25Å; V36-V61 HydrophobicContact CG1-CG1 4.1Å; V36-V61 HydrophobicContact CG2-CG1 3.97Å; V36-V72 HydrophobicContact CG2-CG1 3.93Å; V36-I73 PolarHBondContact N-O 3.43Å; V36-I75 PolarHBondContact O-N 3.35Å; V36-H264 CarbonylContact C-O 3.58Å; V36-H264 WeakPolarHBondContact CA-O 3.45Å; V36-V266 HydrophobicContact CG1-CG2 3.82Å
37D98.3Very high83.5Confident5 Ų537.6 Ų37.63%0.02721%0.214CC..EExtended strand (participates in β ladder)trans-93.5118.4172.5-173.5-32.1000108.9S40 Y77 R254 H264 Y265 V266D37-S40 PolarHBondContact OD1-OG 2.96Å; D37-Y77 WeakPolarHBondContact OD2-CB 3.49Å; D37-R254 IonicContact OD2-CZ 2.74Å; D37-R254 VanDerWaalsContact OD2-CZ 3.25Å; D37-R254 IonicContact OD2-NH1 2.93Å; D37-R254 PolarHBondContact OD2-NH1 3.39Å; D37-R254 IonicContact OD2-NH2 2.7Å; D37-R254 PolarHBondContact OD2-NH2 3.26Å; D37-H264 PolarHBondContact N-O 3.47Å; D37-Y265 HydrophobicContact CB-CD1 3.78Å; D37-Y265 HydrophobicContact CB-CE1 4.12Å; D37-Y265 HydrophobicContact CB-CG 4.44Å; D37-V266 PolarHBondContact O-N 2.94Å
38Y98.2Very high85.6Confident1 Ų136.3 Ų36.30%0.00420%0.201CC..  trans-154.9165.8-175.570.7-73.4000112.7V36 S40 T55 N59 I75 I179 F181V36-Y38 HydrophobicContact CB-CD1 4.4Å; V36-Y38 HydrophobicContact CG1-CD1 3.91Å; V36-Y38 HydrophobicContact CG1-CG 4.48Å; V36-Y38 WeakPolarHBondContact O-CD1 3.41Å; Y38-S40 PolarHBondContact O-N 3.12Å; Y38-S40 PolarHBondContact O-OG 3.35Å; Y38-T55 HydrophobicContact CD2-CG2 4.45Å; Y38-T55 VanDerWaalsContact CD2-O 3.24Å; Y38-T55 WeakPolarHBondContact CD2-O 3.45Å; Y38-T55 HydrophobicContact CE2-CG2 4.27Å; Y38-T55 WeakPolarHBondContact CE2-O 3.32Å; Y38-N59 HydrophobicContact CE2-CB 4.02Å; Y38-I75 PolarHBondContact N-O 3.43Å; Y38-I75 VanDerWaalsContact N-O 3.15Å; Y38-I179 HydrophobicContact CE2-CG2 4.15Å; Y38-F181 HydrophobicContact CD1-CD1 4.33Å; Y38-F181 AromaticContact CD1-CE1 3.81Å; Y38-F181 HydrophobicContact CD1-CE1 3.81Å; Y38-F181 AromaticContact CD2-CE1 3.87Å; Y38-F181 HydrophobicContact CD2-CE1 3.87Å; Y38-F181 HydrophobicContact CD2-CZ 4.24Å; Y38-F181 AromaticContact CE1-CD1 3.59Å; Y38-F181 HydrophobicContact CE1-CD1 3.59Å; Y38-F181 AromaticContact CE1-CE1 3.34Å; Y38-F181 HydrophobicContact CE1-CE1 3.34Å; Y38-F181 HydrophobicContact CE1-CZ 4.42Å; Y38-F181 HydrophobicContact CE2-CD1 4.29Å; Y38-F181 AromaticContact CE2-CE1 3.41Å; Y38-F181 HydrophobicContact CE2-CE1 3.41Å; Y38-F181 VanDerWaalsContact CE2-CE1 3.41Å; Y38-F181 AromaticContact CE2-CZ 3.71Å; Y38-F181 HydrophobicContact CE2-CZ 3.71Å; Y38-F181 HydrophobicContact CG-CE1 4.05Å; Y38-F181 AromaticContact CZ-CD1 3.55Å; Y38-F181 AromaticContact CZ-CE1 3.11Å; Y38-F181 AromaticContact CZ-CZ 3.81Å; Y38-F181 WeakPolarHBondContact OH-CE1 3.32Å
39S97.2Very high87.7Confident8 Ų832 Ų326%0.05617%0.171CC..  trans70.6-68.7-171.3-158.10000113P41 T55 Y174S39-P41 VanDerWaalsContact C-CD 3.41Å; S39-P41 VanDerWaalsContact O-N 3.15Å; S39-T55 WeakPolarHBondContact CB-OG1 3.44Å; S39-T55 PolarHBondContact OG-OG1 3.04Å; S39-Y174 WeakPolarHBondContact CB-OH 3.01Å; S39-Y174 WeakPolarHBondContact OG-CE1 3.44Å; S39-Y174 PolarHBondContact OG-OH 3.21Å
40S95.2Very high89.5Confident35 Ų3525 Ų2525%0.24514%0.139CC..  trans39.353.2169.1-55.70000114.6D37 Y38 N76 Y77D37-S40 PolarHBondContact OD1-OG 2.96Å; Y38-S40 PolarHBondContact O-N 3.12Å; Y38-S40 PolarHBondContact O-OG 3.35Å; S40-N76 WeakPolarHBondContact CA-OD1 3.11Å; S40-N76 PolarHBondContact N-OD1 3.49Å; S40-N76 VanDerWaalsContact N-OD1 3.17Å; S40-Y77 WeakPolarHBondContact CA-O 3.24Å; S40-Y77 WeakPolarHBondContact CB-O 3.48Å; S40-Y77 PolarHBondContact OG-N 2.95Å; S40-Y77 VanDerWaalsContact OG-N 3.13Å; S40-Y77 PolarHBondContact OG-O 3.26Å
41P93.4Very high90.6Very high2 Ų219.1 Ų19.11%0.01311%0.112CC..PPolyproline II helixtrans-71.6159.8-179.733.2-37.8000111.5S39 F47 N76 I78 G79 L170S39-P41 VanDerWaalsContact C-CD 3.41Å; S39-P41 VanDerWaalsContact O-N 3.15Å; P41-F47 HydrophobicContact CB-CD2 4.09Å; P41-F47 HydrophobicContact CB-CE2 4.1Å; P41-F47 HydrophobicContact CG-CD2 4.34Å; P41-F47 HydrophobicContact CG-CE2 4.1Å; P41-N76 WeakPolarHBondContact CD-OD1 3.13Å; P41-I78 HydrophobicContact CG-CD1 3.89Å; P41-G79 PolarHBondContact O-N 3.31Å; P41-L170 HydrophobicContact CB-CD2 4.43Å; P41-L170 HydrophobicContact CG-CD1 3.56Å; P41-L170 HydrophobicContact CG-CD2 3.8Å; P41-L170 HydrophobicContact CG-CG 4.35Å
42N89.1Confident91Very high34 Ų3415.4 Ų15.418%0.1829%0.086CC..BIsolated β-bridgetrans-85145.9170.2-63.5-100.1000110.1K45 G79 Q84N42-K45 HydrophobicContact CB-CD 4.11Å; N42-K45 HydrophobicContact CB-CG 4.45Å; N42-G79 CarbonylContact C-O 3.45Å; N42-G79 VanDerWaalsContact CA-O 3.26Å; N42-G79 WeakPolarHBondContact CA-O 3.34Å; N42-Q84 PolarHBondContact OD1-NE2 3.18Å; N42-Q84 PolarHBondContact OD1-OE1 3.12Å
43I85.3Confident91.1Very high13 Ų1312.9 Ų12.97%0.0677%0.074CC..THydrogen-bonded Turntrans-62.5155172.867175.4000111.2K45 I78 G79 D80 F85 I162 T166I43-K45 PolarHBondContact O-N 2.96Å; I43-I78 HydrophobicContact CG2-CG2 3.53Å; I43-G79 PolarHBondContact N-O 3.06Å; I43-D80 HydrophobicContact CD1-CB 3.89Å; I43-D80 HydrophobicContact CG1-CB 4.33Å; I43-D80 HydrophobicContact CG2-CB 3.68Å; I43-F85 HydrophobicContact CD1-CD2 4.26Å; I43-I162 HydrophobicContact CB-CG2 4.25Å; I43-I162 HydrophobicContact CD1-CG2 4Å; I43-I162 HydrophobicContact CG1-CG2 4.27Å; I43-T166 HydrophobicContact CB-CG2 4.27Å; I43-T166 HydrophobicContact CG2-CG2 4.35Å
44A75.6Confident91.2Very high4 Ų412.1 Ų12.13%0.0337%0.07CC..THydrogen-bonded Turntrans57.82.718000000116.9L88 L109 I162 T166A44-L88 HydrophobicContact CB-CD2 3.2Å; A44-L88 HydrophobicContact CB-CG 4.45Å; A44-L109 HydrophobicContact CB-CB 4.18Å; A44-L109 HydrophobicContact CB-CD1 4.35Å; A44-I162 HydrophobicContact CB-CG2 3.89Å; A44-T166 PolarHBondContact N-OG1 3.24Å
45K79.1Confident91.3Very high40 Ų4012.1 Ų12.117%0.1747%0.07CC..SBendtrans-97.5130.5168.7-72.6-172.1178.4164.20109.7N42 I43 F47 Y113N42-K45 HydrophobicContact CB-CD 4.11Å; N42-K45 HydrophobicContact CB-CG 4.45Å; I43-K45 PolarHBondContact O-N 2.96Å; K45-F47 PolarHBondContact O-N 3.37Å; K45-Y113 WeakPolarHBondContact CE-OH 3.1Å
46P80.3Confident91.3Very high4 Ų412.3 Ų12.33%0.0267%0.071CC..PPolyproline II helixtrans-59136.7175.2-24.132.9000111.4Y110 F335P46-Y110 HydrophobicContact CG-CD1 3.77Å; P46-Y110 HydrophobicContact CG-CD2 3.45Å; P46-Y110 VanDerWaalsContact CG-CD2 3.45Å; P46-Y110 HydrophobicContact CG-CE1 4.27Å; P46-Y110 HydrophobicContact CG-CE2 3.98Å; P46-Y110 HydrophobicContact CG-CG 3.29Å; P46-F335 HydrophobicContact CB-CD1 3.28Å; P46-F335 HydrophobicContact CB-CD2 4.44Å; P46-F335 HydrophobicContact CB-CE1 3.34Å; P46-F335 HydrophobicContact CB-CE2 4.47Å; P46-F335 HydrophobicContact CB-CG 3.89Å; P46-F335 HydrophobicContact CB-CZ 3.96Å; P46-F335 HydrophobicContact CG-CD1 3.88Å; P46-F335 HydrophobicContact CG-CE1 3.34Å; P46-F335 HydrophobicContact CG-CE2 4.43Å; P46-F335 HydrophobicContact CG-CZ 3.66Å
47F86.9Confident91.3Very high14 Ų1412.5 Ų12.56%0.0617%0.072CC..PPolyproline II helixtrans-68.2133.3172.6-151.9-92.8000109.3P41 K45 H51 F52 T55 L170 Y174 M177 L336P41-F47 HydrophobicContact CB-CD2 4.09Å; P41-F47 HydrophobicContact CB-CE2 4.1Å; P41-F47 HydrophobicContact CG-CD2 4.34Å; P41-F47 HydrophobicContact CG-CE2 4.1Å; K45-F47 PolarHBondContact O-N 3.37Å; F47-H51 HydrophobicContact CD1-CB 3.89Å; F47-H51 HydrophobicContact CD2-CB 3.75Å; F47-H51 HydrophobicContact CE1-CB 3.64Å; F47-H51 HydrophobicContact CE2-CB 3.49Å; F47-H51 VanDerWaalsContact CE2-CB 3.49Å; F47-H51 HydrophobicContact CG-CB 3.99Å; F47-H51 HydrophobicContact CZ-CB 3.45Å; F47-H51 VanDerWaalsContact CZ-CB 3.45Å; F47-F52 HydrophobicContact CE1-CB 4.42Å; F47-T55 WeakPolarHBondContact CZ-OG1 3.38Å; F47-L170 HydrophobicContact CB-CD2 4.49Å; F47-L170 HydrophobicContact CD2-CD2 3.36Å; F47-L170 HydrophobicContact CE2-CD2 3.8Å; F47-L170 HydrophobicContact CG-CD2 4.22Å; F47-Y174 HydrophobicContact CE2-CE1 4.33Å; F47-Y174 HydrophobicContact CZ-CE1 4.1Å; F47-M177 HydrophobicContact CE1-CE 4.23Å; F47-M177 HydrophobicContact CZ-CE 4.42Å; F47-L336 HydrophobicContact CD1-CB 3.88Å; F47-L336 HydrophobicContact CD1-CD2 3.3Å; F47-L336 HydrophobicContact CD1-CG 4.19Å; F47-L336 HydrophobicContact CE1-CD2 3.49Å; F47-L336 VanDerWaalsContact CE1-CD2 3.49Å; F47-L336 WeakPolarHBondContact O-CB 3.39Å; F47-L336 PolarHBondContact O-N 3.17Å
48H87.3Confident91.2Very high36 Ų3612.2 Ų12.217%0.1677%0.071CC..  trans-138.4176-173.958.764.2000110.1G50 H51 F52 M326 T328H48-G50 WeakPolarHBondContact ND1-CA 3.48Å; H48-G50 PolarHBondContact ND1-N 3.22Å; H48-G50 VanDerWaalsContact ND1-N 3.1Å; H48-G50 PolarHBondContact O-N 2.76Å; H48-G50 VanDerWaalsContact O-N 3.16Å; H48-H51 AromaticContact CD2-CE1 3.56Å; H48-H51 AromaticContact CD2-ND1 3.4Å; H48-H51 PolarHBondContact CD2-ND1 3.41Å; H48-H51 AromaticContact CE1-CE1 3.6Å; H48-H51 AromaticContact CE1-ND1 3.38Å; H48-H51 PolarHBondContact CE1-ND1 2.89Å; H48-H51 AromaticContact CG-ND1 3.63Å; H48-H51 AromaticContact ND1-ND1 3.59Å; H48-H51 AromaticContact NE2-CE1 3.15Å; H48-H51 PolarHBondContact NE2-CE1 2.75Å; H48-H51 AromaticContact NE2-ND1 3.28Å; H48-H51 PolarHBondContact NE2-ND1 3.5Å; H48-H51 WeakPolarHBondContact O-CB 3.47Å; H48-H51 PolarHBondContact O-N 3.25Å; H48-F52 PolarHBondContact O-N 3.01Å; H48-M326 HydrophobicContact CB-CE 4.33Å; H48-T328 WeakPolarHBondContact CD2-CG2 3.49Å
49L90Very high91.2Very high0 Ų012.5 Ų12.50%07%0.072CC..Hα-helixtrans-59.4-33.7-174.4-62.3169.9000113.4H51 F52 R53 I323 M326 L336 I339 L384 M388 L399 V407L49-H51 VanDerWaalsContact C-N 3.31Å; L49-H51 PolarHBondContact O-N 2.82Å; L49-F52 WeakPolarHBondContact O-CB 3.38Å; L49-F52 PolarHBondContact O-N 2.92Å; L49-F52 VanDerWaalsContact O-N 3.16Å; L49-R53 PolarHBondContact O-N 2.76Å; L49-I323 HydrophobicContact CB-CD1 3.47Å; L49-I323 VanDerWaalsContact CB-CD1 3.47Å; L49-I323 HydrophobicContact CB-CG2 4.46Å; L49-I323 VanDerWaalsContact O-CD1 3.3Å; L49-I323 WeakPolarHBondContact O-CD1 3.33Å; L49-M326 HydrophobicContact CB-CE 4.2Å; L49-M326 HydrophobicContact CB-SD 3.47Å; L49-M326 WeakPolarHBondContact CB-SD 3.38Å; L49-M326 HydrophobicContact CD1-CE 3.91Å; L49-M326 HydrophobicContact CD1-SD 3.69Å; L49-M326 HydrophobicContact CG-CE 3.88Å; L49-M326 HydrophobicContact CG-SD 3.76Å; L49-L336 HydrophobicContact CD2-CD1 4.19Å; L49-I339 HydrophobicContact CD1-CD1 3.79Å; L49-I339 HydrophobicContact CD2-CD1 3.68Å; L49-I339 HydrophobicContact CD2-CG2 4.38Å; L49-I339 HydrophobicContact CG-CD1 3.51Å; L49-L384 HydrophobicContact CD2-CD1 4Å; L49-L384 HydrophobicContact CD2-CD2 4.05Å; L49-M388 HydrophobicContact CD2-CE 4.34Å; L49-L399 HydrophobicContact CD1-CD2 3.85Å; L49-V407 HydrophobicContact CD1-CB 4.14Å; L49-V407 HydrophobicContact CD1-CG1 4.31Å; L49-V407 HydrophobicContact CD1-CG2 4.18Å
50G89.8Confident91.3Very high21 Ų2112.1 Ų12.122%0.2167%0.07CC..Hα-helixtrans-54.5-44.3172.600000113.4H48 A54H48-G50 WeakPolarHBondContact ND1-CA 3.48Å; H48-G50 PolarHBondContact ND1-N 3.22Å; H48-G50 VanDerWaalsContact ND1-N 3.1Å; H48-G50 PolarHBondContact O-N 2.76Å; H48-G50 VanDerWaalsContact O-N 3.16Å; G50-A54 PolarHBondContact O-N 2.56Å
51H92.2Very high91.4Very high27 Ų2710.5 Ų10.513%0.1256%0.058CC..Hα-helixtrans-67.7-44.6173-61.8113.2000110.8F47 H48 L49 R53 A54 T55F47-H51 HydrophobicContact CD1-CB 3.89Å; F47-H51 HydrophobicContact CD2-CB 3.75Å; F47-H51 HydrophobicContact CE1-CB 3.64Å; F47-H51 HydrophobicContact CE2-CB 3.49Å; F47-H51 VanDerWaalsContact CE2-CB 3.49Å; F47-H51 HydrophobicContact CG-CB 3.99Å; F47-H51 HydrophobicContact CZ-CB 3.45Å; F47-H51 VanDerWaalsContact CZ-CB 3.45Å; H48-H51 AromaticContact CD2-CE1 3.56Å; H48-H51 AromaticContact CD2-ND1 3.4Å; H48-H51 PolarHBondContact CD2-ND1 3.41Å; H48-H51 AromaticContact CE1-CE1 3.6Å; H48-H51 AromaticContact CE1-ND1 3.38Å; H48-H51 PolarHBondContact CE1-ND1 2.89Å; H48-H51 AromaticContact CG-ND1 3.63Å; H48-H51 AromaticContact ND1-ND1 3.59Å; H48-H51 AromaticContact NE2-CE1 3.15Å; H48-H51 PolarHBondContact NE2-CE1 2.75Å; H48-H51 AromaticContact NE2-ND1 3.28Å; H48-H51 PolarHBondContact NE2-ND1 3.5Å; H48-H51 WeakPolarHBondContact O-CB 3.47Å; H48-H51 PolarHBondContact O-N 3.25Å; L49-H51 VanDerWaalsContact C-N 3.31Å; L49-H51 PolarHBondContact O-N 2.82Å; H51-R53 VanDerWaalsContact C-N 3.27Å; H51-R53 PolarHBondContact O-N 3.16Å; H51-A54 WeakPolarHBondContact O-CA 3.31Å; H51-A54 VanDerWaalsContact O-CB 3.31Å; H51-A54 WeakPolarHBondContact O-CB 3.48Å; H51-A54 PolarHBondContact O-N 2.97Å; H51-T55 PolarHBondContact O-N 3.43Å; H51-T55 PolarHBondContact O-OG1 3.21Å
52F94.6Very high91.6Very high0 Ų011.5 Ų11.50%06%0.062CC..Hα-helixtrans-50.9-46.2175.7-178.1-90.9000112.4F47 H48 L49 A54 T55 V56 M177 L336 L384 V385 M388F47-F52 HydrophobicContact CE1-CB 4.42Å; H48-F52 PolarHBondContact O-N 3.01Å; L49-F52 WeakPolarHBondContact O-CB 3.38Å; L49-F52 PolarHBondContact O-N 2.92Å; L49-F52 VanDerWaalsContact O-N 3.16Å; F52-A54 PolarHBondContact O-N 3.06Å; F52-T55 PolarHBondContact O-N 3.29Å; F52-V56 HydrophobicContact CD1-CG1 4.11Å; F52-V56 HydrophobicContact CD1-CG2 4.34Å; F52-V56 HydrophobicContact CD2-CG1 4.39Å; F52-V56 HydrophobicContact CE1-CG1 3.65Å; F52-V56 HydrophobicContact CE1-CG2 4.15Å; F52-V56 HydrophobicContact CE2-CG1 3.98Å; F52-V56 HydrophobicContact CG-CG1 4.45Å; F52-V56 HydrophobicContact CZ-CG1 3.58Å; F52-V56 WeakPolarHBondContact O-CG2 3.27Å; F52-V56 PolarHBondContact O-N 2.56Å; F52-M177 HydrophobicContact CD2-CG 4.29Å; F52-M177 HydrophobicContact CD2-SD 3.27Å; F52-M177 WeakPolarHBondContact CD2-SD 3.39Å; F52-M177 HydrophobicContact CE2-CG 3.89Å; F52-M177 HydrophobicContact CE2-SD 3.43Å; F52-M177 WeakPolarHBondContact CE2-SD 3.41Å; F52-M177 HydrophobicContact CG-SD 4.42Å; F52-L336 HydrophobicContact CB-CD1 4.04Å; F52-L336 HydrophobicContact CB-CD2 4.26Å; F52-L336 HydrophobicContact CD2-CD1 3.67Å; F52-L336 HydrophobicContact CD2-CD2 3.77Å; F52-L336 HydrophobicContact CD2-CG 4.39Å; F52-L336 HydrophobicContact CE2-CD1 4.44Å; F52-L336 HydrophobicContact CG-CD1 4.06Å; F52-L336 HydrophobicContact CG-CD2 4.49Å; F52-L384 HydrophobicContact CD1-CD2 4.18Å; F52-L384 HydrophobicContact CD1-CG 4.15Å; F52-L384 HydrophobicContact CD2-CD2 4.08Å; F52-L384 HydrophobicContact CE1-CB 4.26Å; F52-L384 HydrophobicContact CE1-CD2 3.87Å; F52-L384 HydrophobicContact CE1-CG 3.56Å; F52-L384 HydrophobicContact CE2-CD2 3.76Å; F52-L384 HydrophobicContact CE2-CG 4.26Å; F52-L384 HydrophobicContact CG-CD2 4.29Å; F52-L384 HydrophobicContact CZ-CB 3.98Å; F52-L384 HydrophobicContact CZ-CD2 3.65Å; F52-L384 HydrophobicContact CZ-CG 3.62Å; F52-V385 HydrophobicContact CZ-CG2 3.88Å; F52-M388 HydrophobicContact CD1-CE 4.39Å; F52-M388 HydrophobicContact CD1-CG 3.72Å; F52-M388 HydrophobicContact CD1-SD 4.36Å; F52-M388 HydrophobicContact CE1-CG 3.59Å
53R94.8Very high91.9Very high3 Ų311 Ų111%0.0116%0.059CC..Hα-helixtrans-60.2-44.8177.5-175174.6-176.5161.411.1111.9L49 H51 T55 T57 F320 G321 R322 I323 M388 R393 K395 I397L49-R53 PolarHBondContact O-N 2.76Å; H51-R53 VanDerWaalsContact C-N 3.27Å; H51-R53 PolarHBondContact O-N 3.16Å; R53-T55 VanDerWaalsContact C-N 3.31Å; R53-T55 PolarHBondContact O-N 3.33Å; R53-T57 WeakPolarHBondContact O-CB 3.3Å; R53-T57 PolarHBondContact O-N 3.48Å; R53-T57 VanDerWaalsContact O-N 3.08Å; R53-T57 PolarHBondContact O-OG1 3.41Å; R53-F320 HydrophobicContact CB-CE2 4.45Å; R53-F320 HydrophobicContact CG-CD2 3.83Å; R53-F320 HydrophobicContact CG-CE2 4.25Å; R53-F320 HydrophobicContact CG-CG 4.45Å; R53-G321 VanDerWaalsContact CD-O 3.29Å; R53-G321 WeakPolarHBondContact CD-O 3.38Å; R53-G321 PolarHBondContact NE-O 2.99Å; R53-G321 VanDerWaalsContact NE-O 3.16Å; R53-G321 PolarHBondContact NH1-O 2.96Å; R53-R322 PolarHBondContact NH1-O 3.12Å; R53-I323 HydrophobicContact CB-CD1 4.07Å; R53-I323 HydrophobicContact CB-CG1 4.46Å; R53-M388 HydrophobicContact CB-SD 4.32Å; R53-R393 PolarHBondContact NH2-O 3.23Å; R53-K395 PolarHBondContact NH1-O 3.48Å; R53-K395 PolarHBondContact NH2-O 3Å; R53-I397 VanDerWaalsContact NH1-CG1 3.29Å
54A95.9Very high92.3Very high7 Ų710.3 Ų10.36%0.0586%0.056CC..Hα-helixtrans-58.8-46174.900000110.8G50 H51 F52 G58 F320G50-A54 PolarHBondContact O-N 2.56Å; H51-A54 WeakPolarHBondContact O-CA 3.31Å; H51-A54 VanDerWaalsContact O-CB 3.31Å; H51-A54 WeakPolarHBondContact O-CB 3.48Å; H51-A54 PolarHBondContact O-N 2.97Å; F52-A54 PolarHBondContact O-N 3.06Å; A54-G58 PolarHBondContact O-N 2.96Å; A54-F320 HydrophobicContact CB-CE1 3.61Å; A54-F320 HydrophobicContact CB-CE2 4.36Å; A54-F320 HydrophobicContact CB-CZ 3.4Å; A54-F320 VanDerWaalsContact CB-CZ 3.4Å
55T97.8Very high93.2Very high0 Ų010.1 Ų10.10%06%0.055CC..Hα-helixtrans-63.4-52.5-177.4-40.70000112.2Y38 S39 F47 H51 F52 R53 T57 G58 N59 Y174 M177 I179 F181Y38-T55 HydrophobicContact CD2-CG2 4.45Å; Y38-T55 VanDerWaalsContact CD2-O 3.24Å; Y38-T55 WeakPolarHBondContact CD2-O 3.45Å; Y38-T55 HydrophobicContact CE2-CG2 4.27Å; Y38-T55 WeakPolarHBondContact CE2-O 3.32Å; S39-T55 WeakPolarHBondContact CB-OG1 3.44Å; S39-T55 PolarHBondContact OG-OG1 3.04Å; F47-T55 WeakPolarHBondContact CZ-OG1 3.38Å; H51-T55 PolarHBondContact O-N 3.43Å; H51-T55 PolarHBondContact O-OG1 3.21Å; F52-T55 PolarHBondContact O-N 3.29Å; R53-T55 VanDerWaalsContact C-N 3.31Å; R53-T55 PolarHBondContact O-N 3.33Å; T55-T57 VanDerWaalsContact C-N 3.33Å; T55-T57 PolarHBondContact O-N 3.01Å; T55-G58 PolarHBondContact O-N 3.42Å; T55-N59 WeakPolarHBondContact O-CB 3.43Å; T55-N59 PolarHBondContact O-N 3.47Å; T55-Y174 HydrophobicContact CG2-CD1 3.84Å; T55-Y174 HydrophobicContact CG2-CE1 3.55Å; T55-M177 HydrophobicContact CG2-CE 4.23Å; T55-I179 HydrophobicContact CG2-CD1 3.42Å; T55-I179 VanDerWaalsContact CG2-CD1 3.42Å; T55-I179 HydrophobicContact CG2-CG2 4.2Å; T55-F181 HydrophobicContact CG2-CZ 4.33Å
56V97.7Very high93.9Very high5 Ų512 Ų123%0.036%0.064CC..Hα-helixtrans-69.2-34.4-177.3-58.90000111.6F52 N59 F60 I179 V385 M388 F389F52-V56 HydrophobicContact CD1-CG1 4.11Å; F52-V56 HydrophobicContact CD1-CG2 4.34Å; F52-V56 HydrophobicContact CD2-CG1 4.39Å; F52-V56 HydrophobicContact CE1-CG1 3.65Å; F52-V56 HydrophobicContact CE1-CG2 4.15Å; F52-V56 HydrophobicContact CE2-CG1 3.98Å; F52-V56 HydrophobicContact CG-CG1 4.45Å; F52-V56 HydrophobicContact CZ-CG1 3.58Å; F52-V56 WeakPolarHBondContact O-CG2 3.27Å; F52-V56 PolarHBondContact O-N 2.56Å; V56-N59 PolarHBondContact O-N 3.29Å; V56-F60 PolarHBondContact O-N 3.48Å; V56-I179 HydrophobicContact CG1-CD1 4.36Å; V56-V385 HydrophobicContact CG1-CG2 4.03Å; V56-M388 HydrophobicContact CG2-CB 4.15Å; V56-M388 HydrophobicContact CG2-CG 4.29Å; V56-F389 HydrophobicContact CB-CE1 4.37Å; V56-F389 HydrophobicContact CB-CZ 4.03Å; V56-F389 HydrophobicContact CG2-CE1 3.83Å; V56-F389 HydrophobicContact CG2-CZ 4Å; V56-F389 WeakPolarHBondContact O-CZ 3Å
57T97.7Very high94.4Very high3 Ų312.8 Ų12.82%0.0187%0.071CC..Hα-helixtrans-64.8-46.4175.7-580000111R53 T55 F60 V61 V266 R393R53-T57 WeakPolarHBondContact O-CB 3.3Å; R53-T57 PolarHBondContact O-N 3.48Å; R53-T57 VanDerWaalsContact O-N 3.08Å; R53-T57 PolarHBondContact O-OG1 3.41Å; T55-T57 VanDerWaalsContact C-N 3.33Å; T55-T57 PolarHBondContact O-N 3.01Å; T57-F60 WeakPolarHBondContact O-CB 3.41Å; T57-F60 PolarHBondContact O-N 3.24Å; T57-V61 WeakPolarHBondContact O-CG2 3.46Å; T57-V61 PolarHBondContact O-N 3.44Å; T57-V61 VanDerWaalsContact O-N 3.09Å; T57-V266 HydrophobicContact CG2-CG1 3.76Å; T57-R393 HydrophobicContact CG2-CG 3.91Å
58G98Very high94.5Very high0 Ų013.9 Ų13.90%08%0.076CC..Hα-helixtrans-69.5-34.917800000113.3A54 T55 F60 V61 K62A54-G58 PolarHBondContact O-N 2.96Å; T55-G58 PolarHBondContact O-N 3.42Å; G58-F60 VanDerWaalsContact C-N 3.29Å; G58-F60 PolarHBondContact O-N 3.23Å; G58-V61 PolarHBondContact O-N 3.41Å; G58-K62 PolarHBondContact O-N 3.45Å
59N98.2Very high94.5Very high7 Ų714.5 Ų14.54%0.0379%0.092CC..Hα-helixtrans-62.9-37.7172-166.151.2000111.5Y38 T55 V56 K62 N63 I179Y38-N59 HydrophobicContact CE2-CB 4.02Å; T55-N59 WeakPolarHBondContact O-CB 3.43Å; T55-N59 PolarHBondContact O-N 3.47Å; V56-N59 PolarHBondContact O-N 3.29Å; N59-K62 WeakPolarHBondContact O-CB 3.24Å; N59-K62 PolarHBondContact O-N 3.33Å; N59-N63 PolarHBondContact ND2-ND2 3.47Å; N59-N63 WeakPolarHBondContact O-CB 3.36Å; N59-N63 PolarHBondContact O-N 2.99Å; N59-N63 PolarHBondContact O-ND2 3.4Å; N59-N63 VanDerWaalsContact O-ND2 3.1Å; N59-N63 PolarHBondContact O-OD1 2.95Å; N59-I179 HydrophobicContact CB-CD1 4.04Å; N59-I179 HydrophobicContact CB-CG1 4.23Å
60F98.1Very high94.6Very high0 Ų015.7 Ų15.70%010%0.097CC..Hα-helixtrans-61.6-46.5172.1170.5-95000112.1V56 T57 G58 K62 N63 V64 F389 A508 P514 V517 L566V56-F60 PolarHBondContact O-N 3.48Å; T57-F60 WeakPolarHBondContact O-CB 3.41Å; T57-F60 PolarHBondContact O-N 3.24Å; G58-F60 VanDerWaalsContact C-N 3.29Å; G58-F60 PolarHBondContact O-N 3.23Å; F60-K62 VanDerWaalsContact C-N 3.28Å; F60-K62 PolarHBondContact O-N 3.38Å; F60-N63 PolarHBondContact O-N 3.49Å; F60-V64 HydrophobicContact CE1-CG1 4.27Å; F60-V64 HydrophobicContact CZ-CB 4.3Å; F60-V64 HydrophobicContact CZ-CG1 4.45Å; F60-V64 WeakPolarHBondContact O-CG1 3.4Å; F60-V64 PolarHBondContact O-N 2.77Å; F60-F389 HydrophobicContact CB-CZ 4.08Å; F60-A508 HydrophobicContact CZ-CB 4.11Å; F60-P514 HydrophobicContact CB-CB 4.39Å; F60-P514 HydrophobicContact CD1-CB 3.92Å; F60-P514 HydrophobicContact CD1-CG 4.11Å; F60-P514 HydrophobicContact CD2-CB 3.67Å; F60-P514 HydrophobicContact CE1-CB 4.11Å; F60-P514 HydrophobicContact CE1-CG 4.47Å; F60-P514 HydrophobicContact CE2-CB 3.87Å; F60-P514 HydrophobicContact CG-CB 3.7Å; F60-P514 HydrophobicContact CG-CG 4.21Å; F60-P514 HydrophobicContact CZ-CB 4.1Å; F60-V517 HydrophobicContact CE2-CG2 4.02Å; F60-V517 HydrophobicContact CZ-CG2 4.33Å; F60-L566 WeakPolarHBondContact CD2-O 3.35Å; F60-L566 HydrophobicContact CE2-CB 4.46Å
61V97.4Very high94.9Very high0 Ų020.7 Ų20.70%011%0.113CC..Hα-helixtrans-57.7-42.6176176.70000110.9V36 T57 G58 V64 N65 V266 I318 Y512V36-V61 HydrophobicContact CG1-CB 4.25Å; V36-V61 HydrophobicContact CG1-CG1 4.1Å; V36-V61 HydrophobicContact CG2-CG1 3.97Å; T57-V61 WeakPolarHBondContact O-CG2 3.46Å; T57-V61 PolarHBondContact O-N 3.44Å; T57-V61 VanDerWaalsContact O-N 3.09Å; G58-V61 PolarHBondContact O-N 3.41Å; V61-V64 WeakPolarHBondContact O-CG1 3.46Å; V61-N65 PolarHBondContact O-N 2.93Å; V61-N65 PolarHBondContact O-ND2 2.9Å; V61-V266 HydrophobicContact CG2-CG2 4.41Å; V61-I318 HydrophobicContact CG2-CG2 4.2Å; V61-Y512 HydrophobicContact CG1-CD1 4.13Å; V61-Y512 HydrophobicContact CG1-CD2 4.33Å; V61-Y512 HydrophobicContact CG1-CE1 4.01Å; V61-Y512 HydrophobicContact CG1-CE2 4.17Å; V61-Y512 HydrophobicContact CG1-CG 4.3Å; V61-Y512 HydrophobicContact CG2-CD1 4.3Å; V61-Y512 HydrophobicContact CG2-CG 4.07Å
62K97.2Very high95.1Very high23 Ų2320.1 Ų20.110%0.111%0.111CC..Hα-helixtrans-60.5-56174171.1-174.2172-62.70111.3G58 N59 F60 V64 N65 E66 V72G58-K62 PolarHBondContact O-N 3.45Å; N59-K62 WeakPolarHBondContact O-CB 3.24Å; N59-K62 PolarHBondContact O-N 3.33Å; F60-K62 VanDerWaalsContact C-N 3.28Å; F60-K62 PolarHBondContact O-N 3.38Å; K62-V64 VanDerWaalsContact C-N 3.33Å; K62-V64 PolarHBondContact O-N 3.42Å; K62-N65 PolarHBondContact O-N 3.34Å; K62-E66 WeakPolarHBondContact CE-OE1 3.45Å; K62-E66 IonicContact NZ-OE1 3.13Å; K62-E66 PolarHBondContact NZ-OE1 3.08Å; K62-E66 IonicContact NZ-OE2 2.8Å; K62-E66 PolarHBondContact NZ-OE2 2.73Å; K62-E66 WeakPolarHBondContact O-CG 3.34Å; K62-E66 PolarHBondContact O-N 3.17Å; K62-V72 HydrophobicContact CB-CG1 4.13Å; K62-V72 HydrophobicContact CG-CB 4.36Å; K62-V72 HydrophobicContact CG-CG1 3.8Å
63N96Very high95.3Very high23 Ų2320.4 Ų20.412%0.12311%0.113CC..Hα-helixtrans-62.9-37.8-174.1-63.2-21.8000112.4N59 F60 E66 A67 R565 L566 G568N59-N63 PolarHBondContact ND2-ND2 3.47Å; N59-N63 WeakPolarHBondContact O-CB 3.36Å; N59-N63 PolarHBondContact O-N 2.99Å; N59-N63 PolarHBondContact O-ND2 3.4Å; N59-N63 VanDerWaalsContact O-ND2 3.1Å; N59-N63 PolarHBondContact O-OD1 2.95Å; F60-N63 PolarHBondContact O-N 3.49Å; N63-E66 PolarHBondContact O-N 2.97Å; N63-A67 VanDerWaalsContact O-CB 3.25Å; N63-A67 WeakPolarHBondContact O-CB 3.29Å; N63-A67 PolarHBondContact O-N 3.22Å; N63-R565 PolarHBondContact ND2-O 3.28Å; N63-L566 PolarHBondContact ND2-O 2.95Å; N63-G568 WeakPolarHBondContact ND2-CA 3.39Å
64V94.2Very high95.5Very high0 Ų020.2 Ų20.20%011%0.112CC..Hα-helixtrans-70.7-36.1178.275.10000111.5F60 V61 K62 A67 F68 Y509 Y512 L566F60-V64 HydrophobicContact CE1-CG1 4.27Å; F60-V64 HydrophobicContact CZ-CB 4.3Å; F60-V64 HydrophobicContact CZ-CG1 4.45Å; F60-V64 WeakPolarHBondContact O-CG1 3.4Å; F60-V64 PolarHBondContact O-N 2.77Å; V61-V64 WeakPolarHBondContact O-CG1 3.46Å; K62-V64 VanDerWaalsContact C-N 3.33Å; K62-V64 PolarHBondContact O-N 3.42Å; V64-A67 PolarHBondContact O-N 2.9Å; V64-F68 HydrophobicContact CG2-CD2 4.24Å; V64-F68 HydrophobicContact CG2-CE2 4.14Å; V64-F68 VanDerWaalsContact O-CD2 3.23Å; V64-F68 WeakPolarHBondContact O-CD2 3.46Å; V64-F68 PolarHBondContact O-N 3.2Å; V64-F68 VanDerWaalsContact O-N 3.12Å; V64-Y509 HydrophobicContact CG1-CD2 4.36Å; V64-Y509 HydrophobicContact CG2-CD2 4.17Å; V64-Y509 HydrophobicContact CG2-CG 4.45Å; V64-Y512 HydrophobicContact CG1-CD1 3.79Å; V64-Y512 HydrophobicContact CG1-CE1 3.88Å; V64-L566 HydrophobicContact CB-CD2 4.24Å; V64-L566 HydrophobicContact CG2-CD2 4.27Å
65N93.7Very high95.6Very high0 Ų019.9 Ų19.90%011%0.11CC..Hα-helixtrans-66.4-43.6172.9-84.4-74.5000112V61 K62 A67 F68 G69 H70 V72 R262 Y509 Y512V61-N65 PolarHBondContact O-N 2.93Å; V61-N65 PolarHBondContact O-ND2 2.9Å; K62-N65 PolarHBondContact O-N 3.34Å; N65-A67 VanDerWaalsContact C-N 3.28Å; N65-A67 PolarHBondContact O-N 3.3Å; N65-F68 CarbonylContact O-C 3.57Å; N65-F68 WeakPolarHBondContact O-CA 3.47Å; N65-F68 PolarHBondContact O-N 2.99Å; N65-F68 VanDerWaalsContact O-N 3.07Å; N65-G69 PolarHBondContact O-N 3.38Å; N65-H70 HydrophobicContact CB-CB 4.29Å; N65-H70 WeakPolarHBondContact O-CB 3.36Å; N65-H70 PolarHBondContact O-CD2 3.5Å; N65-H70 PolarHBondContact O-N 3.27Å; N65-H70 VanDerWaalsContact O-N 3.15Å; N65-H70 PolarHBondContact OD1-CD2 3.43Å; N65-V72 HydrophobicContact CB-CG2 3.48Å; N65-V72 VanDerWaalsContact CB-CG2 3.48Å; N65-R262 PolarHBondContact OD1-NH2 3.29Å; N65-Y509 WeakPolarHBondContact OD1-CE2 3.37Å; N65-Y512 VanDerWaalsContact ND2-CE1 3.28Å; N65-Y512 WeakPolarHBondContact ND2-CE1 3.36Å; N65-Y512 PolarHBondContact ND2-OH 3.28Å; N65-Y512 PolarHBondContact OD1-OH 3.34Å
66E93.3Very high95.6Very high79 Ų7919.9 Ų19.937%0.36911%0.11SC..Hα-helixtrans-59.2-41.3174.5-71.2174.3162.800111.2K62 N63 F68 G69 V72K62-E66 WeakPolarHBondContact CE-OE1 3.45Å; K62-E66 IonicContact NZ-OE1 3.13Å; K62-E66 PolarHBondContact NZ-OE1 3.08Å; K62-E66 IonicContact NZ-OE2 2.8Å; K62-E66 PolarHBondContact NZ-OE2 2.73Å; K62-E66 WeakPolarHBondContact O-CG 3.34Å; K62-E66 PolarHBondContact O-N 3.17Å; N63-E66 PolarHBondContact O-N 2.97Å; E66-F68 PolarHBondContact O-N 3.05Å; E66-G69 PolarHBondContact O-N 3.15Å; E66-V72 HydrophobicContact CB-CG2 4.48Å; E66-V72 HydrophobicContact CG-CB 3.86Å; E66-V72 HydrophobicContact CG-CG2 3.59Å
67A90.4Very high95.6Very high21 Ų2120.3 Ų20.317%0.17411%0.111CC..Hα-helixtrans-63-30.3176.800000112.5V17 L21 N63 V64 N65 G69 L566V17-A67 HydrophobicContact CG1-CB 3.68Å; V17-A67 WeakPolarHBondContact CG1-O 3.49Å; L21-A67 VanDerWaalsContact CD1-O 3.31Å; L21-A67 WeakPolarHBondContact CD1-O 3.45Å; N63-A67 VanDerWaalsContact O-CB 3.25Å; N63-A67 WeakPolarHBondContact O-CB 3.29Å; N63-A67 PolarHBondContact O-N 3.22Å; V64-A67 PolarHBondContact O-N 2.9Å; N65-A67 VanDerWaalsContact C-N 3.28Å; N65-A67 PolarHBondContact O-N 3.3Å; A67-G69 VanDerWaalsContact C-N 3.27Å; A67-G69 PolarHBondContact O-N 3.02Å; A67-L566 HydrophobicContact CB-CD2 3.68Å
68F89.5Confident95.5Very high36 Ų3620.2 Ų20.216%0.15811%0.11CC..THydrogen-bonded Turntrans-83.15.1173.7-84.4-109.4000114.4L21 V64 N65 E66 L505 H506 Y509L21-F68 HydrophobicContact CD1-CB 4.26Å; L21-F68 HydrophobicContact CD1-CD1 3.93Å; L21-F68 HydrophobicContact CD1-CD2 4.06Å; L21-F68 HydrophobicContact CD1-CE1 4.28Å; L21-F68 HydrophobicContact CD1-CE2 4.42Å; L21-F68 HydrophobicContact CD1-CG 3.82Å; L21-F68 HydrophobicContact CD2-CD1 3.82Å; L21-F68 HydrophobicContact CD2-CE1 3.41Å; L21-F68 VanDerWaalsContact CD2-CE1 3.41Å; L21-F68 HydrophobicContact CD2-CE2 4.34Å; L21-F68 HydrophobicContact CD2-CG 4.45Å; L21-F68 HydrophobicContact CD2-CZ 3.71Å; V64-F68 HydrophobicContact CG2-CD2 4.24Å; V64-F68 HydrophobicContact CG2-CE2 4.14Å; V64-F68 VanDerWaalsContact O-CD2 3.23Å; V64-F68 WeakPolarHBondContact O-CD2 3.46Å; V64-F68 PolarHBondContact O-N 3.2Å; V64-F68 VanDerWaalsContact O-N 3.12Å; N65-F68 CarbonylContact O-C 3.57Å; N65-F68 WeakPolarHBondContact O-CA 3.47Å; N65-F68 PolarHBondContact O-N 2.99Å; N65-F68 VanDerWaalsContact O-N 3.07Å; E66-F68 PolarHBondContact O-N 3.05Å; F68-L505 HydrophobicContact CE2-CD1 3.8Å; F68-L505 HydrophobicContact CE2-CD2 4.14Å; F68-L505 HydrophobicContact CE2-CG 3.61Å; F68-L505 HydrophobicContact CZ-CD2 4.4Å; F68-L505 HydrophobicContact CZ-CG 3.9Å; F68-H506 AromaticContact CE1-CE1 3.83Å; F68-H506 AromaticContact CE1-ND1 3.59Å; F68-H506 AromaticContact CZ-ND1 3.8Å; F68-Y509 HydrophobicContact CB-CD2 4.32Å; F68-Y509 HydrophobicContact CB-CE2 4.01Å; F68-Y509 AromaticContact CD1-CD1 3.53Å; F68-Y509 HydrophobicContact CD1-CD1 3.53Å; F68-Y509 HydrophobicContact CD1-CD2 4.22Å; F68-Y509 AromaticContact CD1-CE1 3.56Å; F68-Y509 HydrophobicContact CD1-CE1 3.56Å; F68-Y509 HydrophobicContact CD1-CE2 4.26Å; F68-Y509 AromaticContact CD1-CG 3.88Å; F68-Y509 HydrophobicContact CD1-CG 3.88Å; F68-Y509 AromaticContact CD1-CZ 3.96Å; F68-Y509 HydrophobicContact CD2-CD1 4.26Å; F68-Y509 AromaticContact CD2-CD2 3.77Å; F68-Y509 HydrophobicContact CD2-CD2 3.77Å; F68-Y509 HydrophobicContact CD2-CE2 4.32Å; F68-Y509 AromaticContact CD2-CG 3.75Å; F68-Y509 HydrophobicContact CD2-CG 3.75Å; F68-Y509 AromaticContact CE1-CD1 3.29Å; F68-Y509 HydrophobicContact CE1-CD1 3.29Å; F68-Y509 HydrophobicContact CE1-CD2 4.49Å; F68-Y509 AromaticContact CE1-CE1 3.77Å; F68-Y509 HydrophobicContact CE1-CE1 3.77Å; F68-Y509 AromaticContact CE1-CG 3.73Å; F68-Y509 HydrophobicContact CE1-CG 3.73Å; F68-Y509 HydrophobicContact CE2-CD1 4.06Å; F68-Y509 HydrophobicContact CE2-CD2 4.06Å; F68-Y509 AromaticContact CE2-CG 3.58Å; F68-Y509 HydrophobicContact CE2-CG 3.58Å; F68-Y509 HydrophobicContact CG-CD1 4.01Å; F68-Y509 AromaticContact CG-CD2 3.84Å; F68-Y509 HydrophobicContact CG-CD2 3.84Å; F68-Y509 HydrophobicContact CG-CE1 4.1Å; F68-Y509 AromaticContact CG-CE2 3.94Å; F68-Y509 HydrophobicContact CG-CE2 3.94Å; F68-Y509 AromaticContact CG-CG 3.89Å; F68-Y509 HydrophobicContact CG-CG 3.89Å; F68-Y509 VanDerWaalsContact CZ-CB 3.42Å; F68-Y509 AromaticContact CZ-CD1 3.59Å; F68-Y509 HydrophobicContact CZ-CD1 3.59Å; F68-Y509 HydrophobicContact CZ-CD2 4.42Å; F68-Y509 HydrophobicContact CZ-CE1 4.45Å; F68-Y509 AromaticContact CZ-CG 3.57Å; F68-Y509 HydrophobicContact CZ-CG 3.57Å
69G88.9Confident95.2Very high49 Ų4920.4 Ų20.451%0.50511%0.112SC..THydrogen-bonded Turntrans8512.7174.800000114.6S31 N65 E66 A67S31-G69 PolarHBondContact OG-O 3.14Å; N65-G69 PolarHBondContact O-N 3.38Å; E66-G69 PolarHBondContact O-N 3.15Å; A67-G69 VanDerWaalsContact C-N 3.27Å; A67-G69 PolarHBondContact O-N 3.02Å
70H91.7Very high94.9Very high25 Ų2520.1 Ų20.112%0.11611%0.111CC..  trans-79.1150.4175-60.3-61.6000111.6E32 V34 N65 V72 Y509E32-H70 PolarHBondContact N-ND1 3.49Å; E32-H70 WeakPolarHBondContact O-CA 3.26Å; E32-H70 WeakPolarHBondContact O-CB 3.46Å; E32-H70 IonicContact OE2-CE1 3.82Å; E32-H70 PolarHBondContact OE2-CE1 2.86Å; E32-H70 IonicContact OE2-ND1 3.83Å; V34-H70 HydrophobicContact CG2-CB 4.08Å; N65-H70 HydrophobicContact CB-CB 4.29Å; N65-H70 WeakPolarHBondContact O-CB 3.36Å; N65-H70 PolarHBondContact O-CD2 3.5Å; N65-H70 PolarHBondContact O-N 3.27Å; N65-H70 VanDerWaalsContact O-N 3.15Å; N65-H70 PolarHBondContact OD1-CD2 3.43Å; H70-V72 HydrophobicContact CB-CG2 4.28Å; H70-Y509 AromaticContact NE2-CE2 3.92Å; H70-Y509 AromaticContact NE2-CZ 3.54Å; H70-Y509 PolarHBondContact NE2-OH 3.06Å
71K95.4Very high94.3Very high126 Ų12621.9 Ų21.955%0.54812%0.117SC..EExtended strand (participates in β ladder)trans-79.6118.4165.8178.9-176.1176.5-172.10108E32 T33 V34 I73E32-K71 PolarHBondContact O-N 3.01Å; T33-K71 CarbonylContact C-O 3.58Å; T33-K71 WeakPolarHBondContact CA-O 3.17Å; T33-K71 HydrophobicContact CG2-CD 4.45Å; V34-K71 PolarHBondContact N-O 3Å; K71-I73 HydrophobicContact CG-CD1 4.46Å
72V97.2Very high93.5Very high15 Ų1522.4 Ų22.49%0.09112%0.123CC..EExtended strand (participates in β ladder)trans-113.8132.9-176.7-1690000111.7V34 V36 K62 N65 E66 H70V34-V72 HydrophobicContact CB-CG2 4.49Å; V34-V72 CarbonylContact O-C 3.58Å; V34-V72 VanDerWaalsContact O-CA 3.3Å; V34-V72 WeakPolarHBondContact O-CA 3.43Å; V36-V72 HydrophobicContact CG2-CG1 3.93Å; K62-V72 HydrophobicContact CB-CG1 4.13Å; K62-V72 HydrophobicContact CG-CB 4.36Å; K62-V72 HydrophobicContact CG-CG1 3.8Å; N65-V72 HydrophobicContact CB-CG2 3.48Å; N65-V72 VanDerWaalsContact CB-CG2 3.48Å; E66-V72 HydrophobicContact CB-CG2 4.48Å; E66-V72 HydrophobicContact CG-CB 3.86Å; E66-V72 HydrophobicContact CG-CG2 3.59Å; H70-V72 HydrophobicContact CB-CG2 4.28Å
73I98.4Very high92.6Very high6 Ų624.6 Ų24.63%0.03114%0.138CC..EExtended strand (participates in β ladder)trans-110.4105.6172.1-60.388000107.6T33 V34 V35 V36 K71 I75 T182 Y258T33-I73 HydrophobicContact CG2-CD1 3.43Å; T33-I73 VanDerWaalsContact CG2-CD1 3.43Å; V34-I73 PolarHBondContact O-N 3.03Å; V35-I73 WeakPolarHBondContact CA-O 3.27Å; V35-I73 HydrophobicContact CG2-CB 4.23Å; V35-I73 HydrophobicContact CG2-CD1 4.4Å; V36-I73 PolarHBondContact N-O 3.43Å; K71-I73 HydrophobicContact CG-CD1 4.46Å; I73-I75 HydrophobicContact CG2-CD1 4.33Å; I73-I75 HydrophobicContact CG2-CG1 3.87Å; I73-T182 HydrophobicContact CB-CG2 4.49Å; I73-T182 HydrophobicContact CG2-CG2 3.97Å; I73-Y258 HydrophobicContact CD1-CD1 4.49Å; I73-Y258 HydrophobicContact CG1-CD1 4.12Å; I73-Y258 HydrophobicContact CG1-CE1 4.25Å; I73-Y258 HydrophobicContact CG2-CE1 4.1Å; I73-Y258 HydrophobicContact CG2-CE2 4.23Å
74G98.3Very high91.8Very high0 Ų025.6 Ų25.60%014%0.142CC..EExtended strand (participates in β ladder)trans-85.1115.9172.600000110.6T182 S183G74-T182 PolarHBondContact N-OG1 3.01Å; G74-T182 WeakPolarHBondContact O-CA 3.23Å; G74-T182 WeakPolarHBondContact O-CB 3.13Å; G74-T182 PolarHBondContact O-N 3.04Å; G74-S183 PolarHBondContact O-N 3.03Å; G74-S183 VanDerWaalsContact O-N 3.13Å
75I98.5Very high91.3Very high0 Ų025.9 Ų25.90%014%0.143CC..EExtended strand (participates in β ladder)trans-106133.2-179.9-57.9179.7000109.2V35 V36 Y38 I73 S183 E185 R254 Y258V35-I75 HydrophobicContact CG1-CD1 3.46Å; V35-I75 VanDerWaalsContact CG1-CD1 3.46Å; V35-I75 HydrophobicContact CG1-CG1 4.11Å; V36-I75 PolarHBondContact O-N 3.35Å; Y38-I75 PolarHBondContact N-O 3.43Å; Y38-I75 VanDerWaalsContact N-O 3.15Å; I73-I75 HydrophobicContact CG2-CD1 4.33Å; I73-I75 HydrophobicContact CG2-CG1 3.87Å; I75-S183 WeakPolarHBondContact CA-O 3.41Å; I75-E185 HydrophobicContact CG2-CB 4.05Å; I75-E185 HydrophobicContact CG2-CG 3.89Å; I75-R254 HydrophobicContact CD1-CG 4.04Å; I75-Y258 HydrophobicContact CD1-CE2 4.11Å
76N97.9Very high90.6Very high0 Ų026 Ų260%014%0.144CC..EExtended strand (participates in β ladder)trans-104107.1164-171.45.2000108.4S40 P41 I78 Y174 F181 S183 Y184 E185S40-N76 WeakPolarHBondContact CA-OD1 3.11Å; S40-N76 PolarHBondContact N-OD1 3.49Å; S40-N76 VanDerWaalsContact N-OD1 3.17Å; P41-N76 WeakPolarHBondContact CD-OD1 3.13Å; N76-I78 WeakPolarHBondContact ND2-CD1 2.92Å; N76-I78 PolarHBondContact O-N 2.94Å; N76-I78 WeakPolarHBondContact OD1-CD1 3.35Å; N76-Y174 WeakPolarHBondContact ND2-CE2 3.23Å; N76-Y174 PolarHBondContact ND2-OH 2.91Å; N76-F181 HydrophobicContact CB-CB 4.43Å; N76-F181 HydrophobicContact CB-CD1 3.53Å; N76-F181 HydrophobicContact CB-CD2 3.98Å; N76-F181 HydrophobicContact CB-CE1 3.58Å; N76-F181 HydrophobicContact CB-CE2 4.07Å; N76-F181 HydrophobicContact CB-CG 3.72Å; N76-F181 HydrophobicContact CB-CZ 3.87Å; N76-S183 PolarHBondContact N-O 2.83Å; N76-Y184 HydrophobicContact CB-CD1 3.9Å; N76-Y184 HydrophobicContact CB-CE1 4.03Å; N76-Y184 WeakPolarHBondContact ND2-CE1 3.44Å; N76-E185 PolarHBondContact O-N 2.97Å
77Y97.4Very high90.2Very high14 Ų1423.1 Ų23.16%0.05513%0.131CC..EExtended strand (participates in β ladder)trans-94.493-176.9-173.6-130.8000110.2D37 S40 G79 E185 E187 Y190 D247D37-Y77 WeakPolarHBondContact OD2-CB 3.49Å; S40-Y77 WeakPolarHBondContact CA-O 3.24Å; S40-Y77 WeakPolarHBondContact CB-O 3.48Å; S40-Y77 PolarHBondContact OG-N 2.95Å; S40-Y77 VanDerWaalsContact OG-N 3.13Å; S40-Y77 PolarHBondContact OG-O 3.26Å; Y77-G79 PolarHBondContact O-N 3.38Å; Y77-E185 CarbonylContact C-O 3.55Å; Y77-E185 WeakPolarHBondContact CA-O 3.1Å; Y77-E185 HydrophobicContact CD2-CB 3.84Å; Y77-E187 HydrophobicContact CE1-CG 3.75Å; Y77-E187 HydrophobicContact CE2-CG 4.31Å; Y77-Y190 HydrophobicContact CD2-CE2 4.32Å; Y77-Y190 AromaticContact CE2-CD2 3.56Å; Y77-Y190 HydrophobicContact CE2-CD2 3.56Å; Y77-Y190 AromaticContact CE2-CE2 3.5Å; Y77-Y190 HydrophobicContact CE2-CE2 3.5Å; Y77-Y190 AromaticContact CZ-CD2 3.94Å; Y77-Y190 WeakPolarHBondContact OH-CD2 3.48Å; Y77-D247 WeakPolarHBondContact CE1-OD1 3.35Å
78I95.3Very high90Very high0 Ų022.3 Ų22.30%012%0.123CC..EExtended strand (participates in β ladder)trans-74.3124.8-172.6-57.4-61.6000110.4P41 I43 N76 D80 L170 E185 Y186 E187P41-I78 HydrophobicContact CG-CD1 3.89Å; I43-I78 HydrophobicContact CG2-CG2 3.53Å; N76-I78 WeakPolarHBondContact ND2-CD1 2.92Å; N76-I78 PolarHBondContact O-N 2.94Å; N76-I78 WeakPolarHBondContact OD1-CD1 3.35Å; I78-D80 VanDerWaalsContact C-N 3.33Å; I78-D80 HydrophobicContact CG2-CB 4.27Å; I78-D80 PolarHBondContact O-N 3.09Å; I78-L170 HydrophobicContact CD1-CD1 3.85Å; I78-E185 PolarHBondContact N-O 2.88Å; I78-Y186 HydrophobicContact CB-CD1 3.79Å; I78-Y186 HydrophobicContact CB-CE1 4.14Å; I78-Y186 HydrophobicContact CG1-CD1 4.26Å; I78-Y186 HydrophobicContact CG1-CE1 4.13Å; I78-Y186 HydrophobicContact CG2-CD1 4.23Å; I78-E187 PolarHBondContact O-N 3.25Å
79G92.8Very high89.8Confident5 Ų520.7 Ų20.75%0.05212%0.117CC..BIsolated β-bridgetrans-74.982.8172.400000111.1P41 N42 I43 Y77 E187P41-G79 PolarHBondContact O-N 3.31Å; N42-G79 CarbonylContact C-O 3.45Å; N42-G79 VanDerWaalsContact CA-O 3.26Å; N42-G79 WeakPolarHBondContact CA-O 3.34Å; I43-G79 PolarHBondContact N-O 3.06Å; Y77-G79 PolarHBondContact O-N 3.38Å; G79-E187 VanDerWaalsContact CA-OE1 3.25Å; G79-E187 WeakPolarHBondContact CA-OE1 3.43Å
80D90.6Very high89.7Confident1 Ų119.9 Ų19.91%0.00510%0.103CC..  trans-105.96.9-179.274.4-21.1000114I43 I78 W159 R163 Y186 E187 S188I43-D80 HydrophobicContact CD1-CB 3.89Å; I43-D80 HydrophobicContact CG1-CB 4.33Å; I43-D80 HydrophobicContact CG2-CB 3.68Å; I78-D80 VanDerWaalsContact C-N 3.33Å; I78-D80 HydrophobicContact CG2-CB 4.27Å; I78-D80 PolarHBondContact O-N 3.09Å; D80-W159 PolarHBondContact O-NE1 3.48Å; D80-W159 VanDerWaalsContact OD2-CZ2 3.22Å; D80-W159 WeakPolarHBondContact OD2-CZ2 3.25Å; D80-R163 WeakPolarHBondContact OD2-CD 3.38Å; D80-R163 IonicContact OD2-CZ 3.43Å; D80-R163 IonicContact OD2-NE 2.68Å; D80-R163 IonicContact OD2-NH1 3.37Å; D80-R163 PolarHBondContact OD2-NH1 2.89Å; D80-Y186 WeakPolarHBondContact OD2-CB 3.47Å; D80-E187 PolarHBondContact OD1-N 3.24Å; D80-E187 VanDerWaalsContact OD1-N 3.13Å; D80-S188 WeakPolarHBondContact OD1-CB 3.39Å; D80-S188 PolarHBondContact OD1-N 3Å; D80-S188 PolarHBondContact OD1-OG 3.3Å; D80-S188 PolarHBondContact OD2-OG 3.27Å
81W86Confident89.5Confident36 Ų3618.7 Ų18.714%0.13610%0.098CC..  trans-131.1146.1-176-162.4-94.2000113.2L145 E187 V191W81-L145 HydrophobicContact CD2-CD2 3.46Å; W81-L145 VanDerWaalsContact CD2-CD2 3.46Å; W81-L145 HydrophobicContact CD2-CG 4.37Å; W81-L145 HydrophobicContact CE3-CD2 3.24Å; W81-L145 HydrophobicContact CE3-CG 4.14Å; W81-L145 HydrophobicContact CG-CD2 4.32Å; W81-L145 HydrophobicContact CH2-CB 4.1Å; W81-L145 HydrophobicContact CH2-CD1 4.44Å; W81-L145 HydrophobicContact CH2-CD2 3.43Å; W81-L145 VanDerWaalsContact CH2-CD2 3.43Å; W81-L145 HydrophobicContact CH2-CG 3.32Å; W81-L145 HydrophobicContact CZ2-CB 3.81Å; W81-L145 HydrophobicContact CZ2-CD2 3.58Å; W81-L145 HydrophobicContact CZ2-CG 3.54Å; W81-L145 HydrophobicContact CZ3-CD2 3.23Å; W81-L145 HydrophobicContact CZ3-CG 3.63Å; W81-E187 HydrophobicContact CB-CB 3.83Å; W81-V191 HydrophobicContact CD2-CG2 3.79Å; W81-V191 HydrophobicContact CG-CG2 3.78Å; W81-V191 HydrophobicContact CZ2-CG1 4.4Å; W81-V191 HydrophobicContact CZ2-CG2 4.24Å
82G80.1Confident89.3Confident11 Ų1113.6 Ų13.611%0.1138%0.076CC..SBendtrans114.1-174.5172.900000114.5Q84 F85G82-Q84 PolarHBondContact O-N 3.44Å; G82-F85 WeakPolarHBondContact O-CB 3.15Å; G82-F85 PolarHBondContact O-N 3.31Å
83T79.2Confident88.8Confident69 Ų6917.3 Ų17.342%0.42310%0.102SC..Hα-helixtrans-56-23.3-169.2-48.30000114.6F85 D86 I87T83-F85 VanDerWaalsContact C-N 3.28Å; T83-F85 PolarHBondContact O-N 3.23Å; T83-D86 WeakPolarHBondContact CA-OD2 3.45Å; T83-D86 PolarHBondContact O-N 3.33Å; T83-I87 HydrophobicContact CG2-CD1 4.22Å; T83-I87 HydrophobicContact CG2-CG1 4.42Å; T83-I87 VanDerWaalsContact O-CG1 3.28Å; T83-I87 WeakPolarHBondContact O-CG1 3.48Å; T83-I87 PolarHBondContact O-N 3.48Å
84Q79Confident88.4Confident44 Ų4423 Ų2321%0.20613%0.127CC..Hα-helixtrans-63.4-37176.4-54.9-179.330.500112N42 G82 L88 Y113 Y243N42-Q84 PolarHBondContact OD1-NE2 3.18Å; N42-Q84 PolarHBondContact OD1-OE1 3.12Å; G82-Q84 PolarHBondContact O-N 3.44Å; Q84-L88 PolarHBondContact O-N 3.49Å; Q84-Y113 HydrophobicContact CB-CE2 4.49Å; Q84-Y243 PolarHBondContact NE2-OH 2.98Å
85F83.1Confident88.1Confident7 Ų726.6 Ų26.63%0.03114%0.141CC..Hα-helixtrans-69.9-42.8175.3177.7-100.7000111I43 G82 T83 I87 L88 A89 L145 F158 W159 I162I43-F85 HydrophobicContact CD1-CD2 4.26Å; G82-F85 WeakPolarHBondContact O-CB 3.15Å; G82-F85 PolarHBondContact O-N 3.31Å; T83-F85 VanDerWaalsContact C-N 3.28Å; T83-F85 PolarHBondContact O-N 3.23Å; F85-I87 VanDerWaalsContact C-N 3.32Å; F85-I87 PolarHBondContact O-N 3.09Å; F85-L88 CarbonylContact O-C 3.56Å; F85-L88 WeakPolarHBondContact O-CA 3.44Å; F85-L88 WeakPolarHBondContact O-CB 3.33Å; F85-L88 PolarHBondContact O-N 3.41Å; F85-A89 HydrophobicContact CE1-CB 4.21Å; F85-A89 HydrophobicContact CZ-CB 4.19Å; F85-A89 PolarHBondContact O-N 3.11Å; F85-L145 HydrophobicContact CD1-CD1 3.84Å; F85-L145 HydrophobicContact CD1-CD2 3.99Å; F85-L145 HydrophobicContact CE1-CD1 3.79Å; F85-F158 HydrophobicContact CE2-CD1 4.23Å; F85-F158 HydrophobicContact CZ-CD1 4.12Å; F85-W159 AromaticContact CD2-CD1 3.72Å; F85-W159 HydrophobicContact CE1-CB 4.02Å; F85-W159 HydrophobicContact CE1-CG 4.46Å; F85-W159 HydrophobicContact CE2-CB 3.65Å; F85-W159 AromaticContact CE2-CD1 3.68Å; F85-W159 HydrophobicContact CE2-CG 4.07Å; F85-W159 HydrophobicContact CZ-CB 3.36Å; F85-W159 AromaticContact CZ-CD1 3.99Å; F85-W159 HydrophobicContact CZ-CG 4.06Å; F85-I162 HydrophobicContact CD2-CD1 4.43Å; F85-I162 HydrophobicContact CE2-CD1 3.79Å
86D80.1Confident87.7Confident2 Ų228 Ų281%0.01116%0.156CC..Hα-helixtrans-58.2-44.7177.5-59.4-43.6000111.5T83 L88 A89 S90 P143 I144 L145T83-D86 WeakPolarHBondContact CA-OD2 3.45Å; T83-D86 PolarHBondContact O-N 3.33Å; D86-L88 VanDerWaalsContact C-N 3.28Å; D86-L88 PolarHBondContact O-N 2.95Å; D86-A89 PolarHBondContact O-N 2.93Å; D86-S90 VanDerWaalsContact O-CB 3.31Å; D86-S90 WeakPolarHBondContact O-CB 3.41Å; D86-S90 PolarHBondContact O-N 3.23Å; D86-P143 WeakPolarHBondContact OD2-CA 3.42Å; D86-I144 WeakPolarHBondContact OD1-CB 3.29Å; D86-I144 PolarHBondContact OD1-N 3.13Å; D86-L145 PolarHBondContact OD1-N 3.48Å
87I83.8Confident87.4Confident19 Ų1931.2 Ų31.210%0.09717%0.173CC..Hα-helixtrans-60.1-40.8175.6-67.4167.4000110.8T83 F85 G91 Y113 A116 I120T83-I87 HydrophobicContact CG2-CD1 4.22Å; T83-I87 HydrophobicContact CG2-CG1 4.42Å; T83-I87 VanDerWaalsContact O-CG1 3.28Å; T83-I87 WeakPolarHBondContact O-CG1 3.48Å; T83-I87 PolarHBondContact O-N 3.48Å; F85-I87 VanDerWaalsContact C-N 3.32Å; F85-I87 PolarHBondContact O-N 3.09Å; I87-G91 WeakPolarHBondContact O-CA 3.35Å; I87-G91 PolarHBondContact O-N 3.07Å; I87-Y113 HydrophobicContact CG2-CD2 4.24Å; I87-Y113 HydrophobicContact CG2-CE2 4.27Å; I87-A116 HydrophobicContact CG2-CB 3.77Å; I87-I120 HydrophobicContact CB-CD1 4.43Å; I87-I120 HydrophobicContact CD1-CD1 4.11Å; I87-I120 HydrophobicContact CG1-CD1 3.79Å; I87-I120 HydrophobicContact CG2-CD1 3.91Å
88L86.9Confident87.1Confident3 Ų334.8 Ų34.82%0.01619%0.19CC..Hα-helixtrans-70.3-44.6179.7179.768.3000112.1A44 Q84 F85 D86 G91 F92 L109 V112 I162A44-L88 HydrophobicContact CB-CD2 3.2Å; A44-L88 HydrophobicContact CB-CG 4.45Å; Q84-L88 PolarHBondContact O-N 3.49Å; F85-L88 CarbonylContact O-C 3.56Å; F85-L88 WeakPolarHBondContact O-CA 3.44Å; F85-L88 WeakPolarHBondContact O-CB 3.33Å; F85-L88 PolarHBondContact O-N 3.41Å; D86-L88 VanDerWaalsContact C-N 3.28Å; D86-L88 PolarHBondContact O-N 2.95Å; L88-G91 PolarHBondContact O-N 3.29Å; L88-F92 VanDerWaalsContact O-CB 3.25Å; L88-F92 WeakPolarHBondContact O-CB 3.42Å; L88-F92 PolarHBondContact O-N 3.38Å; L88-L109 HydrophobicContact CD1-CB 4.3Å; L88-L109 HydrophobicContact CD1-CD2 4.08Å; L88-L109 WeakPolarHBondContact CD1-O 3.41Å; L88-L109 HydrophobicContact CD2-CD2 4.25Å; L88-L109 HydrophobicContact CG-CD2 4.43Å; L88-V112 HydrophobicContact CD1-CB 4.36Å; L88-V112 HydrophobicContact CD1-CG1 4.08Å; L88-I162 HydrophobicContact CD2-CD1 3.55Å; L88-I162 HydrophobicContact CD2-CG1 4.46Å; L88-I162 HydrophobicContact CD2-CG2 4.31Å; L88-I162 HydrophobicContact CG-CD1 4.26Å
89A86.3Confident86.9Confident3 Ų340.5 Ų40.53%0.02522%0.219CC..Hα-helixtrans-63.4-44.9177.900000111.6F85 D86 F92 S93 I144 F158F85-A89 HydrophobicContact CE1-CB 4.21Å; F85-A89 HydrophobicContact CZ-CB 4.19Å; F85-A89 PolarHBondContact O-N 3.11Å; D86-A89 PolarHBondContact O-N 2.93Å; A89-F92 PolarHBondContact O-N 3.34Å; A89-S93 PolarHBondContact O-N 3.24Å; A89-S93 VanDerWaalsContact O-N 3.13Å; A89-S93 PolarHBondContact O-OG 3.34Å; A89-S93 VanDerWaalsContact O-OG 3.11Å; A89-I144 HydrophobicContact CB-CD1 3.85Å; A89-F158 HydrophobicContact CB-CD1 4.23Å; A89-F158 HydrophobicContact CB-CE1 4.25Å
90S84.8Confident86.9Confident31 Ų3142.9 Ų42.922%0.21723%0.229CC..Hα-helixtrans-64.7-43.1174.2-173.30000111.6D86 F92 S93 L140D86-S90 VanDerWaalsContact O-CB 3.31Å; D86-S90 WeakPolarHBondContact O-CB 3.41Å; D86-S90 PolarHBondContact O-N 3.23Å; S90-F92 PolarHBondContact O-N 3.06Å; S90-S93 WeakPolarHBondContact O-CB 3.5Å; S90-S93 PolarHBondContact O-N 2.81Å; S90-L140 WeakPolarHBondContact OG-CD2 3.22Å; S90-L140 WeakPolarHBondContact OG-CG 3.34Å
91G89.5Confident86.9Confident0 Ų043 Ų430%023%0.229CC..Hα-helixtrans-61.6-41.4175.100000113.3I87 L88 S93 K94 Y95I87-G91 WeakPolarHBondContact O-CA 3.35Å; I87-G91 PolarHBondContact O-N 3.07Å; L88-G91 PolarHBondContact O-N 3.29Å; G91-S93 VanDerWaalsContact C-N 3.3Å; G91-S93 PolarHBondContact O-N 3.32Å; G91-K94 PolarHBondContact O-N 3.16Å; G91-Y95 WeakPolarHBondContact O-CD2 3.49Å; G91-Y95 PolarHBondContact O-N 2.84Å
92F89.9Confident87Confident20 Ų2048.7 Ų48.79%0.08825%0.251CS..Hα-helixtrans-67.7-32.8-179.8-166.4-92.7000111.5L88 A89 S90 K94 G96 L101 L109 V112 F158L88-F92 VanDerWaalsContact O-CB 3.25Å; L88-F92 WeakPolarHBondContact O-CB 3.42Å; L88-F92 PolarHBondContact O-N 3.38Å; A89-F92 PolarHBondContact O-N 3.34Å; S90-F92 PolarHBondContact O-N 3.06Å; F92-K94 PolarHBondContact O-N 3.01Å; F92-G96 WeakPolarHBondContact O-CA 3.19Å; F92-G96 PolarHBondContact O-N 3.45Å; F92-L101 HydrophobicContact CE1-CD2 4.45Å; F92-L101 HydrophobicContact CE2-CB 4.27Å; F92-L101 HydrophobicContact CE2-CD1 4.25Å; F92-L101 HydrophobicContact CE2-CD2 3.86Å; F92-L101 HydrophobicContact CE2-CG 4.36Å; F92-L101 HydrophobicContact CZ-CB 4.27Å; F92-L101 HydrophobicContact CZ-CD2 3.56Å; F92-L101 HydrophobicContact CZ-CG 4.4Å; F92-L109 HydrophobicContact CD2-CD2 4.29Å; F92-V112 HydrophobicContact CB-CG1 4.09Å; F92-V112 HydrophobicContact CD2-CG1 4.44Å; F92-V112 HydrophobicContact CD2-CG2 4.27Å; F92-V112 VanDerWaalsContact N-CG1 3.31Å; F92-F158 HydrophobicContact CB-CE1 3.96Å; F92-F158 HydrophobicContact CB-CE2 4.38Å; F92-F158 HydrophobicContact CB-CZ 3.54Å; F92-F158 HydrophobicContact CD1-CD2 4.39Å; F92-F158 HydrophobicContact CD1-CE1 4.48Å; F92-F158 AromaticContact CD1-CE2 3.58Å; F92-F158 HydrophobicContact CD1-CE2 3.58Å; F92-F158 AromaticContact CD1-CZ 3.63Å; F92-F158 HydrophobicContact CD1-CZ 3.63Å; F92-F158 AromaticContact CD2-CE2 3.97Å; F92-F158 HydrophobicContact CD2-CE2 3.97Å; F92-F158 AromaticContact CD2-CZ 3.66Å; F92-F158 HydrophobicContact CD2-CZ 3.66Å; F92-F158 AromaticContact CE1-CE2 3.76Å; F92-F158 HydrophobicContact CE1-CE2 3.76Å; F92-F158 HydrophobicContact CE1-CZ 4.25Å; F92-F158 HydrophobicContact CE2-CE2 4.14Å; F92-F158 HydrophobicContact CE2-CZ 4.28Å; F92-F158 HydrophobicContact CG-CE1 4.18Å; F92-F158 AromaticContact CG-CE2 3.7Å; F92-F158 HydrophobicContact CG-CE2 3.7Å; F92-F158 AromaticContact CG-CZ 3.3Å; F92-F158 HydrophobicContact CG-CZ 3.3Å; F92-F158 HydrophobicContact CZ-CE2 4.06Å
93S87.3Confident87.5Confident92 Ų9256.7 Ų56.764%0.64328%0.278SS*.Hα-helixtrans-61.8-24.9172.5-600000113A89 S90 G91A89-S93 PolarHBondContact O-N 3.24Å; A89-S93 VanDerWaalsContact O-N 3.13Å; A89-S93 PolarHBondContact O-OG 3.34Å; A89-S93 VanDerWaalsContact O-OG 3.11Å; S90-S93 WeakPolarHBondContact O-CB 3.5Å; S90-S93 PolarHBondContact O-N 2.81Å; G91-S93 VanDerWaalsContact C-N 3.3Å; G91-S93 PolarHBondContact O-N 3.32Å
94K89.2Confident87.9Confident127 Ų12756.4 Ų56.455%0.55227%0.274SS*.Hα-helixtrans-101.3-36.2-178.3-172.2174.2176.8-171.10114G91 F92 D119G91-K94 PolarHBondContact O-N 3.16Å; F92-K94 PolarHBondContact O-N 3.01Å; K94-D119 IonicContact NZ-OD2 3.9Å; K94-D119 PolarHBondContact NZ-OD2 2.83Å
95Y92.4Very high88.4Confident75 Ų7555.8 Ų55.829%0.29427%0.273SS..Hα-helixtrans-125.5-2.1-170.2-56.9-63.5000113.6G91 Q115 D119G91-Y95 WeakPolarHBondContact O-CD2 3.49Å; G91-Y95 PolarHBondContact O-N 2.84Å; Y95-Q115 HydrophobicContact CD1-CG 4.13Å; Y95-Q115 HydrophobicContact CD2-CB 4.14Å; Y95-Q115 HydrophobicContact CD2-CG 3.84Å; Y95-Q115 HydrophobicContact CE1-CG 3.87Å; Y95-Q115 HydrophobicContact CE2-CB 4.23Å; Y95-Q115 HydrophobicContact CE2-CG 3.55Å; Y95-Q115 HydrophobicContact CG-CB 4.5Å; Y95-Q115 HydrophobicContact CG-CG 4.1Å; Y95-D119 WeakPolarHBondContact CE2-OD2 3.33Å; Y95-D119 PolarHBondContact OH-OD1 3.37Å; Y95-D119 PolarHBondContact OH-OD2 3.37Å
96G90Very high88.6Confident30 Ų3056.6 Ų56.631%0.30928%0.278SS..  trans-67.2150.6179.800000111.9F92F92-G96 WeakPolarHBondContact O-CA 3.19Å; F92-G96 PolarHBondContact O-N 3.45Å
97D92.8Very high88.9Confident67 Ų6760.2 Ų60.236%0.35830%0.295SS..  trans-144.2116.2177.8178.5-15.2000105.3I99 E100 L101 H108D97-I99 VanDerWaalsContact C-N 3.26Å; D97-I99 PolarHBondContact O-N 3.42Å; D97-I99 WeakPolarHBondContact OD1-CB 3.44Å; D97-I99 PolarHBondContact OD1-N 3.32Å; D97-E100 HydrophobicContact CB-CB 4.12Å; D97-E100 HydrophobicContact CB-CG 4.46Å; D97-E100 PolarHBondContact O-N 3.18Å; D97-E100 PolarHBondContact OD1-N 3.25Å; D97-L101 VanDerWaalsContact O-CB 3.23Å; D97-L101 WeakPolarHBondContact O-CB 3.25Å; D97-L101 PolarHBondContact O-N 3.03Å; D97-H108 PolarHBondContact N-NE2 3.07Å; D97-H108 PolarHBondContact O-CD2 3.28Å; D97-H108 PolarHBondContact O-NE2 3.04Å
98E90.2Very high89.2Confident89 Ų8960.2 Ų60.242%0.41629%0.294SS..Hα-helixtrans-64.9-29.3-177.6-76.3-68.5158.500112.9R102E98-R102 WeakPolarHBondContact O-CG 3.47Å; E98-R102 VanDerWaalsContact O-CZ 3.3Å; E98-R102 PolarHBondContact O-N 3.34Å; E98-R102 PolarHBondContact O-NE 3.18Å; E98-R102 IonicContact OE2-CZ 2.92Å; E98-R102 IonicContact OE2-NH1 2.8Å; E98-R102 PolarHBondContact OE2-NH1 3.04Å; E98-R102 IonicContact OE2-NH2 3.31Å
99I92Very high89.4Confident120 Ų12060 Ų6062%0.61529%0.293SS*.Hα-helixtrans-74.6-49.6178-64.6164.2000109.4D97 L101 R102 R103D97-I99 VanDerWaalsContact C-N 3.26Å; D97-I99 PolarHBondContact O-N 3.42Å; D97-I99 WeakPolarHBondContact OD1-CB 3.44Å; D97-I99 PolarHBondContact OD1-N 3.32Å; I99-L101 VanDerWaalsContact C-N 3.33Å; I99-L101 PolarHBondContact O-N 3.39Å; I99-R102 PolarHBondContact O-N 2.51Å; I99-R103 PolarHBondContact O-N 2.89Å
100E92Very high89.4Confident54 Ų5461 Ų6125%0.25230%0.297SS..Hα-helixtrans-66.6-34.7178.1-74-63125.900112.2D97 R102 R103 N104 H108D97-E100 HydrophobicContact CB-CB 4.12Å; D97-E100 HydrophobicContact CB-CG 4.46Å; D97-E100 PolarHBondContact O-N 3.18Å; D97-E100 PolarHBondContact OD1-N 3.25Å; E100-R102 VanDerWaalsContact C-N 3.3Å; E100-R102 PolarHBondContact O-N 2.77Å; E100-R103 PolarHBondContact O-N 3.41Å; E100-R103 IonicContact OE1-NH1 2.88Å; E100-N104 CarbonylContact O-C 3.52Å; E100-N104 PolarHBondContact O-N 3.14Å; E100-H108 HydrophobicContact CB-CB 4.35Å
101L90.2Very high89.5Confident3 Ų364.5 Ų64.52%0.01631%0.308CS..Hα-helixtrans-59.6-40.1173-176.364.1000111.8F92 D97 I99 P105 L109 F158 Y161F92-L101 HydrophobicContact CE1-CD2 4.45Å; F92-L101 HydrophobicContact CE2-CB 4.27Å; F92-L101 HydrophobicContact CE2-CD1 4.25Å; F92-L101 HydrophobicContact CE2-CD2 3.86Å; F92-L101 HydrophobicContact CE2-CG 4.36Å; F92-L101 HydrophobicContact CZ-CB 4.27Å; F92-L101 HydrophobicContact CZ-CD2 3.56Å; F92-L101 HydrophobicContact CZ-CG 4.4Å; D97-L101 VanDerWaalsContact O-CB 3.23Å; D97-L101 WeakPolarHBondContact O-CB 3.25Å; D97-L101 PolarHBondContact O-N 3.03Å; I99-L101 VanDerWaalsContact C-N 3.33Å; I99-L101 PolarHBondContact O-N 3.39Å; L101-P105 HydrophobicContact CD1-CB 4.33Å; L101-P105 WeakPolarHBondContact O-CA 3.37Å; L101-P105 WeakPolarHBondContact O-CB 3.2Å; L101-P105 WeakPolarHBondContact O-CD 3.37Å; L101-L109 HydrophobicContact CD1-CD1 4.08Å; L101-L109 HydrophobicContact CD1-CD2 3.68Å; L101-L109 HydrophobicContact CD1-CG 3.66Å; L101-F158 HydrophobicContact CD2-CE2 4.28Å; L101-Y161 HydrophobicContact CD1-CE1 3.91Å; L101-Y161 HydrophobicContact CD2-CD1 4.01Å; L101-Y161 HydrophobicContact CD2-CE1 3.54Å; L101-Y161 HydrophobicContact CG-CD1 4.47Å; L101-Y161 HydrophobicContact CG-CE1 3.58Å
102R89Confident89.5Confident157 Ų15764.6 Ų64.659%0.59231%0.309SS*.Hα-helixtrans-73.5-32.2176.6-76.6-172.4-90.1-77.66.8112.8E98 I99 E100E98-R102 WeakPolarHBondContact O-CG 3.47Å; E98-R102 VanDerWaalsContact O-CZ 3.3Å; E98-R102 PolarHBondContact O-N 3.34Å; E98-R102 PolarHBondContact O-NE 3.18Å; E98-R102 IonicContact OE2-CZ 2.92Å; E98-R102 IonicContact OE2-NH1 2.8Å; E98-R102 PolarHBondContact OE2-NH1 3.04Å; E98-R102 IonicContact OE2-NH2 3.31Å; I99-R102 PolarHBondContact O-N 2.51Å; E100-R102 VanDerWaalsContact C-N 3.3Å; E100-R102 PolarHBondContact O-N 2.77Å
103R90.2Very high89.4Confident179 Ų17964.8 Ų64.868%0.67531%0.309SS*.Hα-helixtrans-79.5-49.7-176.6-173.5-176.2174.3172.9-0112.9I99 E100I99-R103 PolarHBondContact O-N 2.89Å; E100-R103 PolarHBondContact O-N 3.41Å; E100-R103 IonicContact OE1-NH1 2.88Å
104N88.1Confident89.2Confident62 Ų6261.2 Ų61.233%0.33228%0.283SS..SBendtrans-139.666.5-174.2-67.1-48.1000110.2E100 I106 E107 H108E100-N104 CarbonylContact O-C 3.52Å; E100-N104 PolarHBondContact O-N 3.14Å; N104-I106 PolarHBondContact O-N 3.31Å; N104-E107 HydrophobicContact CB-CB 4.29Å; N104-E107 PolarHBondContact O-N 3.29Å; N104-H108 WeakPolarHBondContact O-CB 3.31Å; N104-H108 PolarHBondContact O-N 2.99Å
105P89Confident89.1Confident31 Ų3157.9 Ų57.920%0.20127%0.269CS..Hα-helixtrans-54.2-50.7-165.715.6-29.4000113.4L101 H108 L109 V165L101-P105 HydrophobicContact CD1-CB 4.33Å; L101-P105 WeakPolarHBondContact O-CA 3.37Å; L101-P105 WeakPolarHBondContact O-CB 3.2Å; L101-P105 WeakPolarHBondContact O-CD 3.37Å; P105-H108 PolarHBondContact O-N 2.85Å; P105-L109 VanDerWaalsContact O-CB 3.28Å; P105-L109 WeakPolarHBondContact O-CB 3.28Å; P105-L109 WeakPolarHBondContact O-CD1 3.48Å; P105-L109 WeakPolarHBondContact O-CG 3.24Å; P105-L109 PolarHBondContact O-N 3.37Å; P105-V165 HydrophobicContact CB-CB 4.04Å; P105-V165 HydrophobicContact CB-CG1 4.42Å; P105-V165 HydrophobicContact CB-CG2 3.86Å; P105-V165 HydrophobicContact CG-CB 4.22Å
106I87.1Confident88.9Confident24 Ų2454.3 Ų54.312%0.12326%0.255CS..Hα-helixtrans-69.6-41.1-174.1-54.4-54.1000111.9N104 Y110 V165 T166 Q169N104-I106 PolarHBondContact O-N 3.31Å; I106-Y110 VanDerWaalsContact O-CB 3.27Å; I106-Y110 WeakPolarHBondContact O-CB 3.38Å; I106-Y110 PolarHBondContact O-N 3.38Å; I106-V165 HydrophobicContact CD1-CG2 4.36Å; I106-T166 HydrophobicContact CD1-CG2 4.5Å; I106-Q169 HydrophobicContact CG1-CB 4.09Å; I106-Q169 HydrophobicContact CG1-CG 4.13Å
107E86.1Confident88.6Confident78 Ų7854.5 Ų54.536%0.36425%0.249SC..Hα-helixtrans-65.8-42.8177.7-171.6-175.1159.600110.9N104 Y110 K111 F335N104-E107 HydrophobicContact CB-CB 4.29Å; N104-E107 PolarHBondContact O-N 3.29Å; E107-Y110 PolarHBondContact O-N 3.38Å; E107-K111 WeakPolarHBondContact O-CG 3.21Å; E107-K111 PolarHBondContact O-N 3.33Å; E107-K111 WeakPolarHBondContact OE1-CE 3.46Å; E107-K111 IonicContact OE1-NZ 3.01Å; E107-K111 PolarHBondContact OE1-NZ 2.77Å; E107-F335 HydrophobicContact CB-CE2 4.38Å; E107-F335 HydrophobicContact CG-CE2 4.13Å
108H90.8Very high88.3Confident19 Ų1957.6 Ų57.69%0.08826%0.256CS..Hα-helixtrans-65.9-49.6177.9-17249.6000112.2D97 E100 N104 P105 Y110 K111 V112D97-H108 PolarHBondContact N-NE2 3.07Å; D97-H108 PolarHBondContact O-CD2 3.28Å; D97-H108 PolarHBondContact O-NE2 3.04Å; E100-H108 HydrophobicContact CB-CB 4.35Å; N104-H108 WeakPolarHBondContact O-CB 3.31Å; N104-H108 PolarHBondContact O-N 2.99Å; P105-H108 PolarHBondContact O-N 2.85Å; H108-Y110 PolarHBondContact O-N 2.93Å; H108-K111 WeakPolarHBondContact O-CB 3.45Å; H108-K111 PolarHBondContact O-N 2.85Å; H108-V112 WeakPolarHBondContact O-CG2 3.19Å; H108-V112 PolarHBondContact O-N 3.23Å
109L90.1Very high88.1Confident0 Ų054.4 Ų54.40%024%0.242CC..Hα-helixtrans-57.2-36.9176-70.1170.2000111.6A44 L88 F92 L101 P105 Y113 F158 I162 V165A44-L109 HydrophobicContact CB-CB 4.18Å; A44-L109 HydrophobicContact CB-CD1 4.35Å; L88-L109 HydrophobicContact CD1-CB 4.3Å; L88-L109 HydrophobicContact CD1-CD2 4.08Å; L88-L109 WeakPolarHBondContact CD1-O 3.41Å; L88-L109 HydrophobicContact CD2-CD2 4.25Å; L88-L109 HydrophobicContact CG-CD2 4.43Å; F92-L109 HydrophobicContact CD2-CD2 4.29Å; L101-L109 HydrophobicContact CD1-CD1 4.08Å; L101-L109 HydrophobicContact CD1-CD2 3.68Å; L101-L109 HydrophobicContact CD1-CG 3.66Å; P105-L109 VanDerWaalsContact O-CB 3.28Å; P105-L109 WeakPolarHBondContact O-CB 3.28Å; P105-L109 WeakPolarHBondContact O-CD1 3.48Å; P105-L109 WeakPolarHBondContact O-CG 3.24Å; P105-L109 PolarHBondContact O-N 3.37Å; L109-Y113 VanDerWaalsContact O-CB 3.31Å; L109-Y113 WeakPolarHBondContact O-CB 3.19Å; L109-Y113 PolarHBondContact O-N 3.31Å; L109-F158 HydrophobicContact CD2-CZ 4.18Å; L109-I162 HydrophobicContact CD1-CB 4.45Å; L109-I162 HydrophobicContact CD1-CG1 3.93Å; L109-I162 HydrophobicContact CD1-CG2 4.07Å; L109-I162 HydrophobicContact CD2-CD1 4.12Å; L109-I162 HydrophobicContact CD2-CG1 3.96Å; L109-V165 HydrophobicContact CD1-CG2 4.32Å
110Y86Confident87.6Confident23 Ų2350.2 Ų50.29%0.0922%0.22CC..Hα-helixtrans-67.1-44.4174.3179.6-118000113P46 I106 E107 H108 V112 Y113 V114 T328 F335P46-Y110 HydrophobicContact CG-CD1 3.77Å; P46-Y110 HydrophobicContact CG-CD2 3.45Å; P46-Y110 VanDerWaalsContact CG-CD2 3.45Å; P46-Y110 HydrophobicContact CG-CE1 4.27Å; P46-Y110 HydrophobicContact CG-CE2 3.98Å; P46-Y110 HydrophobicContact CG-CG 3.29Å; I106-Y110 VanDerWaalsContact O-CB 3.27Å; I106-Y110 WeakPolarHBondContact O-CB 3.38Å; I106-Y110 PolarHBondContact O-N 3.38Å; E107-Y110 PolarHBondContact O-N 3.38Å; H108-Y110 PolarHBondContact O-N 2.93Å; Y110-V112 VanDerWaalsContact C-N 3.31Å; Y110-V112 PolarHBondContact O-N 3.44Å; Y110-Y113 PolarHBondContact O-N 2.92Å; Y110-V114 HydrophobicContact CD1-CG2 4.34Å; Y110-V114 HydrophobicContact CD2-CG2 3.92Å; Y110-V114 HydrophobicContact CE1-CG2 4.02Å; Y110-V114 HydrophobicContact CE2-CG2 3.56Å; Y110-V114 HydrophobicContact CG-CG2 4.33Å; Y110-V114 WeakPolarHBondContact O-CB 3.33Å; Y110-V114 VanDerWaalsContact O-CG2 3.31Å; Y110-V114 WeakPolarHBondContact O-CG2 3.48Å; Y110-V114 PolarHBondContact O-N 2.91Å; Y110-T328 PolarHBondContact OH-O 3.35Å; Y110-F335 AromaticContact CD1-CE1 3.89Å; Y110-F335 HydrophobicContact CD1-CE1 3.89Å; Y110-F335 AromaticContact CD1-CZ 3.65Å; Y110-F335 HydrophobicContact CD1-CZ 3.65Å; Y110-F335 AromaticContact CE1-CE1 3.81Å; Y110-F335 HydrophobicContact CE1-CE1 3.81Å; Y110-F335 AromaticContact CE1-CZ 3.98Å; Y110-F335 HydrophobicContact CE1-CZ 3.98Å; Y110-F335 HydrophobicContact CG-CZ 4.41Å
111K87.2Confident87.1Confident105 Ų10552.5 Ų52.546%0.45723%0.231SC..Hα-helixtrans-57.4-46.5175-74.3170.5-176.6164.70110.8E107 H108 V114 Q115E107-K111 WeakPolarHBondContact O-CG 3.21Å; E107-K111 PolarHBondContact O-N 3.33Å; E107-K111 WeakPolarHBondContact OE1-CE 3.46Å; E107-K111 IonicContact OE1-NZ 3.01Å; E107-K111 PolarHBondContact OE1-NZ 2.77Å; H108-K111 WeakPolarHBondContact O-CB 3.45Å; H108-K111 PolarHBondContact O-N 2.85Å; K111-V114 PolarHBondContact O-N 2.8Å; K111-Q115 WeakPolarHBondContact O-CB 3.42Å; K111-Q115 PolarHBondContact O-N 3.12Å
112V90.5Very high86.8Confident2 Ų254.4 Ų54.41%0.01225%0.245CC..Hα-helixtrans-59.1-49.8175.4172.50000111L88 F92 H108 Y110 V114 Q115 A116L88-V112 HydrophobicContact CD1-CB 4.36Å; L88-V112 HydrophobicContact CD1-CG1 4.08Å; F92-V112 HydrophobicContact CB-CG1 4.09Å; F92-V112 HydrophobicContact CD2-CG1 4.44Å; F92-V112 HydrophobicContact CD2-CG2 4.27Å; F92-V112 VanDerWaalsContact N-CG1 3.31Å; H108-V112 WeakPolarHBondContact O-CG2 3.19Å; H108-V112 PolarHBondContact O-N 3.23Å; Y110-V112 VanDerWaalsContact C-N 3.31Å; Y110-V112 PolarHBondContact O-N 3.44Å; V112-V114 PolarHBondContact O-N 3.25Å; V112-Q115 PolarHBondContact O-N 2.85Å; V112-A116 WeakPolarHBondContact O-CB 3.49Å; V112-A116 PolarHBondContact O-N 3.36Å
113Y86.3Confident86.2Confident24 Ų2449.3 Ų49.39%0.09423%0.233CC..Hα-helixtrans-58.8-47.3178.4177.2-101.1000112.2K45 Q84 I87 L109 Y110 Q115 A116 N117K45-Y113 WeakPolarHBondContact CE-OH 3.1Å; Q84-Y113 HydrophobicContact CB-CE2 4.49Å; I87-Y113 HydrophobicContact CG2-CD2 4.24Å; I87-Y113 HydrophobicContact CG2-CE2 4.27Å; L109-Y113 VanDerWaalsContact O-CB 3.31Å; L109-Y113 WeakPolarHBondContact O-CB 3.19Å; L109-Y113 PolarHBondContact O-N 3.31Å; Y110-Y113 PolarHBondContact O-N 2.92Å; Y113-Q115 VanDerWaalsContact C-N 3.34Å; Y113-Q115 PolarHBondContact O-N 2.83Å; Y113-A116 PolarHBondContact O-N 2.73Å; Y113-N117 WeakPolarHBondContact CD1-ND2 3.38Å; Y113-N117 WeakPolarHBondContact CD2-ND2 3.38Å; Y113-N117 VanDerWaalsContact CE1-ND2 3.25Å; Y113-N117 WeakPolarHBondContact CE1-ND2 3.48Å; Y113-N117 WeakPolarHBondContact CE2-ND2 3.41Å; Y113-N117 PolarHBondContact O-N 3.44Å; Y113-N117 PolarHBondContact O-ND2 2.89Å
114V84Confident85.5Confident16 Ų1645.1 Ų45.110%0.09722%0.224CC..Hα-helixtrans-62-44.6179.31700000110.4Y110 K111 V112 N117 R118Y110-V114 HydrophobicContact CD1-CG2 4.34Å; Y110-V114 HydrophobicContact CD2-CG2 3.92Å; Y110-V114 HydrophobicContact CE1-CG2 4.02Å; Y110-V114 HydrophobicContact CE2-CG2 3.56Å; Y110-V114 HydrophobicContact CG-CG2 4.33Å; Y110-V114 WeakPolarHBondContact O-CB 3.33Å; Y110-V114 VanDerWaalsContact O-CG2 3.31Å; Y110-V114 WeakPolarHBondContact O-CG2 3.48Å; Y110-V114 PolarHBondContact O-N 2.91Å; K111-V114 PolarHBondContact O-N 2.8Å; V112-V114 PolarHBondContact O-N 3.25Å; V114-N117 PolarHBondContact O-N 2.98Å; V114-R118 VanDerWaalsContact CG1-CZ 3.45Å; V114-R118 WeakPolarHBondContact O-CG 3.36Å; V114-R118 PolarHBondContact O-N 3.18Å
115Q87.2Confident84.7Confident57 Ų5747.9 Ų47.927%0.26624%0.235SC..Hα-helixtrans-65.4-43.4179.3-169.557.135.700112Y95 K111 V112 Y113 N117 R118 D119Y95-Q115 HydrophobicContact CD1-CG 4.13Å; Y95-Q115 HydrophobicContact CD2-CB 4.14Å; Y95-Q115 HydrophobicContact CD2-CG 3.84Å; Y95-Q115 HydrophobicContact CE1-CG 3.87Å; Y95-Q115 HydrophobicContact CE2-CB 4.23Å; Y95-Q115 HydrophobicContact CE2-CG 3.55Å; Y95-Q115 HydrophobicContact CG-CB 4.5Å; Y95-Q115 HydrophobicContact CG-CG 4.1Å; K111-Q115 WeakPolarHBondContact O-CB 3.42Å; K111-Q115 PolarHBondContact O-N 3.12Å; V112-Q115 PolarHBondContact O-N 2.85Å; Y113-Q115 VanDerWaalsContact C-N 3.34Å; Y113-Q115 PolarHBondContact O-N 2.83Å; Q115-N117 VanDerWaalsContact C-N 3.32Å; Q115-N117 PolarHBondContact O-N 2.93Å; Q115-R118 WeakPolarHBondContact O-CB 3.36Å; Q115-R118 PolarHBondContact O-N 2.81Å; Q115-R118 VanDerWaalsContact OE1-NH1 3.12Å; Q115-D119 PolarHBondContact NE2-OD1 3Å; Q115-D119 PolarHBondContact O-N 3.44Å
116A87.3Confident83.6Confident0 Ų052.6 Ų52.60%025%0.252CS..Hα-helixtrans-60.1-40175.400000112.4I87 V112 Y113 D119 I120I87-A116 HydrophobicContact CG2-CB 3.77Å; V112-A116 WeakPolarHBondContact O-CB 3.49Å; V112-A116 PolarHBondContact O-N 3.36Å; Y113-A116 PolarHBondContact O-N 2.73Å; A116-D119 PolarHBondContact O-N 2.79Å; A116-I120 VanDerWaalsContact O-CG1 3.3Å; A116-I120 WeakPolarHBondContact O-CG1 3.42Å; A116-I120 PolarHBondContact O-N 3.28Å; A116-I120 VanDerWaalsContact O-N 3.08Å
117N84.2Confident82.3Confident35 Ų3555.3 Ų55.319%0.18727%0.274CS..Hα-helixtrans-67.8-36.5175.8-80.7-80.7000113Y113 V114 Q115 I120 Q121Y113-N117 WeakPolarHBondContact CD1-ND2 3.38Å; Y113-N117 WeakPolarHBondContact CD2-ND2 3.38Å; Y113-N117 VanDerWaalsContact CE1-ND2 3.25Å; Y113-N117 WeakPolarHBondContact CE1-ND2 3.48Å; Y113-N117 WeakPolarHBondContact CE2-ND2 3.41Å; Y113-N117 PolarHBondContact O-N 3.44Å; Y113-N117 PolarHBondContact O-ND2 2.89Å; V114-N117 PolarHBondContact O-N 2.98Å; Q115-N117 VanDerWaalsContact C-N 3.32Å; Q115-N117 PolarHBondContact O-N 2.93Å; N117-I120 PolarHBondContact O-N 2.68Å; N117-Q121 WeakPolarHBondContact O-CG 3.47Å; N117-Q121 PolarHBondContact O-N 2.85Å
118R86.1Confident80.9Confident132 Ų13261.9 Ų61.950%0.49830%0.295SS..Hα-helixtrans-62.7-44.2174.5-72.9177-171.8144.3-1.6111.1V114 Q115 I120 Q121 S122V114-R118 VanDerWaalsContact CG1-CZ 3.45Å; V114-R118 WeakPolarHBondContact O-CG 3.36Å; V114-R118 PolarHBondContact O-N 3.18Å; Q115-R118 WeakPolarHBondContact O-CB 3.36Å; Q115-R118 PolarHBondContact O-N 2.81Å; Q115-R118 VanDerWaalsContact OE1-NH1 3.12Å; R118-I120 PolarHBondContact O-N 3.16Å; R118-Q121 PolarHBondContact O-N 2.83Å; R118-S122 WeakPolarHBondContact O-CB 3.49Å; R118-S122 PolarHBondContact O-N 3.05Å; R118-S122 PolarHBondContact O-OG 3.07Å
119D86.9Confident79.4Confident21 Ų2168 Ų6811%0.11232%0.324CS..Hα-helixtrans-58.2-49.7175.9-74.613.4000110.9K94 Y95 Q115 A116 Q121 S122 S123K94-D119 IonicContact NZ-OD2 3.9Å; K94-D119 PolarHBondContact NZ-OD2 2.83Å; Y95-D119 WeakPolarHBondContact CE2-OD2 3.33Å; Y95-D119 PolarHBondContact OH-OD1 3.37Å; Y95-D119 PolarHBondContact OH-OD2 3.37Å; Q115-D119 PolarHBondContact NE2-OD1 3Å; Q115-D119 PolarHBondContact O-N 3.44Å; A116-D119 PolarHBondContact O-N 2.79Å; D119-Q121 VanDerWaalsContact C-N 3.33Å; D119-Q121 PolarHBondContact O-N 3.49Å; D119-S122 PolarHBondContact O-N 2.95Å; D119-S122 PolarHBondContact O-OG 3.32Å; D119-S123 PolarHBondContact O-N 2.99Å; D119-S123 PolarHBondContact O-OG 3.21Å
120I82.1Confident77.2Confident32 Ų3271.3 Ų71.316%0.16436%0.357CS..Hα-helixtrans-58.7-43.2178.3-67.2164.2000111.6I87 A116 N117 R118 S123 N124 L140I87-I120 HydrophobicContact CB-CD1 4.43Å; I87-I120 HydrophobicContact CD1-CD1 4.11Å; I87-I120 HydrophobicContact CG1-CD1 3.79Å; I87-I120 HydrophobicContact CG2-CD1 3.91Å; A116-I120 VanDerWaalsContact O-CG1 3.3Å; A116-I120 WeakPolarHBondContact O-CG1 3.42Å; A116-I120 PolarHBondContact O-N 3.28Å; A116-I120 VanDerWaalsContact O-N 3.08Å; N117-I120 PolarHBondContact O-N 2.68Å; R118-I120 PolarHBondContact O-N 3.16Å; I120-S123 PolarHBondContact O-N 3.42Å; I120-N124 WeakPolarHBondContact O-CB 3.48Å; I120-N124 VanDerWaalsContact O-CG 3.24Å; I120-N124 PolarHBondContact O-N 2.84Å; I120-N124 PolarHBondContact O-ND2 3.48Å; I120-L140 HydrophobicContact CD1-CB 4.12Å; I120-L140 HydrophobicContact CG1-CB 3.91Å; I120-L140 HydrophobicContact CG1-CD1 4.44Å
121Q81.1Confident75.1Confident102 Ų10275.4 Ų75.448%0.47738%0.379SS..Hα-helixtrans-62.8-47.4176.4-73.5172.420.900111.4N117 R118 D119 S123 N124 E125N117-Q121 WeakPolarHBondContact O-CG 3.47Å; N117-Q121 PolarHBondContact O-N 2.85Å; R118-Q121 PolarHBondContact O-N 2.83Å; D119-Q121 VanDerWaalsContact C-N 3.33Å; D119-Q121 PolarHBondContact O-N 3.49Å; Q121-S123 VanDerWaalsContact C-N 3.33Å; Q121-S123 PolarHBondContact O-N 3.35Å; Q121-N124 PolarHBondContact O-N 3.02Å; Q121-E125 WeakPolarHBondContact O-CG 3.31Å; Q121-E125 PolarHBondContact O-N 2.78Å
122S83Confident72.9Confident44 Ų4476.7 Ų76.731%0.30839%0.391SS..Hα-helixtrans-63.5-37179.874.60000112.8R118 D119 K126R118-S122 WeakPolarHBondContact O-CB 3.49Å; R118-S122 PolarHBondContact O-N 3.05Å; R118-S122 PolarHBondContact O-OG 3.07Å; D119-S122 PolarHBondContact O-N 2.95Å; D119-S122 PolarHBondContact O-OG 3.32Å; S122-K126 VanDerWaalsContact O-CG 3.32Å; S122-K126 WeakPolarHBondContact O-CG 3.37Å; S122-K126 PolarHBondContact O-N 2.8Å
123S77.4Confident70.4Confident50 Ų5084.5 Ų84.535%0.3543%0.427SS..Hα-helixtrans-67-45.3174.7-640000111.3D119 I120 Q121 E125 K126 S127D119-S123 PolarHBondContact O-N 2.99Å; D119-S123 PolarHBondContact O-OG 3.21Å; I120-S123 PolarHBondContact O-N 3.42Å; Q121-S123 VanDerWaalsContact C-N 3.33Å; Q121-S123 PolarHBondContact O-N 3.35Å; S123-E125 VanDerWaalsContact C-N 3.29Å; S123-E125 PolarHBondContact O-N 3.36Å; S123-K126 PolarHBondContact O-N 3.03Å; S123-S127 PolarHBondContact O-N 3.26Å; S123-S127 PolarHBondContact O-OG 3.28Å; S123-S127 VanDerWaalsContact O-OG 3.11Å
124N75.3Confident67.7Low91 Ų9186.7 Ų86.749%0.48746%0.457SS..Hα-helixtrans-62.9-35177.2-73.5-23.5000112.6I120 Q121 R128I120-N124 WeakPolarHBondContact O-CB 3.48Å; I120-N124 VanDerWaalsContact O-CG 3.24Å; I120-N124 PolarHBondContact O-N 2.84Å; I120-N124 PolarHBondContact O-ND2 3.48Å; Q121-N124 PolarHBondContact O-N 3.02Å; N124-R128 WeakPolarHBondContact O-CB 3.31Å; N124-R128 VanDerWaalsContact O-CG 3.29Å; N124-R128 WeakPolarHBondContact O-CG 3.49Å; N124-R128 PolarHBondContact O-N 2.97Å; N124-R128 VanDerWaalsContact O-N 3.1Å
125E70.7Confident65.1Low119 Ų11993 Ų9356%0.55649%0.49SS*.Hα-helixtrans-68.4-43174.5-75.4177175.900112.3Q121 S123 R128 H129Q121-E125 WeakPolarHBondContact O-CG 3.31Å; Q121-E125 PolarHBondContact O-N 2.78Å; S123-E125 VanDerWaalsContact C-N 3.29Å; S123-E125 PolarHBondContact O-N 3.36Å; E125-R128 PolarHBondContact O-N 3.37Å; E125-H129 PolarHBondContact O-N 3.48Å; E125-H129 VanDerWaalsContact O-N 3.13Å; E125-H129 PolarHBondContact O-ND1 2.83Å
126K65.9Low62.4Low130 Ų13098.7 Ų98.757%0.56552%0.517SS*.Hα-helixtrans-62.2-45.1175.3-73.8174.2-176.9178.80112S122 S123 R128 H129 G130S122-K126 VanDerWaalsContact O-CG 3.32Å; S122-K126 WeakPolarHBondContact O-CG 3.37Å; S122-K126 PolarHBondContact O-N 2.8Å; S123-K126 PolarHBondContact O-N 3.03Å; K126-R128 VanDerWaalsContact C-N 3.3Å; K126-R128 PolarHBondContact O-N 2.96Å; K126-H129 PolarHBondContact O-N 3.3Å; K126-G130 PolarHBondContact O-N 3.2Å
127S60.1Low59.7Low82 Ų82103.1 Ų103.157%0.57355%0.548SS*.Hα-helixtrans-63.1-34.5176.4-59.80000112.4S123S123-S127 PolarHBondContact O-N 3.26Å; S123-S127 PolarHBondContact O-OG 3.28Å; S123-S127 VanDerWaalsContact O-OG 3.11Å
128R57.4Low57.7Low216 Ų216105.4 Ų105.482%0.81556%0.563SS**Hα-helixtrans-71.9-27174.9-78176.3178.6179.9-0.1114.1N124 E125 K126N124-R128 WeakPolarHBondContact O-CB 3.31Å; N124-R128 VanDerWaalsContact O-CG 3.29Å; N124-R128 WeakPolarHBondContact O-CG 3.49Å; N124-R128 PolarHBondContact O-N 2.97Å; N124-R128 VanDerWaalsContact O-N 3.1Å; E125-R128 PolarHBondContact O-N 3.37Å; K126-R128 VanDerWaalsContact C-N 3.3Å; K126-R128 PolarHBondContact O-N 2.96Å
129H57.9Low55.7Low148 Ų148103.7 Ų103.769%0.68556%0.564SS**THydrogen-bonded Turntrans-94.28.9-179.4-71.976.5000113.8E125 K126 I131E125-H129 PolarHBondContact O-N 3.48Å; E125-H129 VanDerWaalsContact O-N 3.13Å; E125-H129 PolarHBondContact O-ND1 2.83Å; K126-H129 PolarHBondContact O-N 3.3Å; H129-I131 PolarHBondContact O-N 3.41Å
130G43.9Very low53.8Low68 Ų68103.3 Ų103.370%0.70156%0.561SS**THydrogen-bonded Turntrans69.414.9172.500000115.2K126 D132K126-G130 PolarHBondContact O-N 3.2Å; G130-D132 PolarHBondContact O-N 3.07Å
131I43.5Very low52.1Low110 Ų110105.3 Ų105.356%0.56458%0.578SS**  trans-94.471.9175.3-49.6176.3000107.7H129H129-I131 PolarHBondContact O-N 3.41Å
132D40.1Very low50.6Low131 Ų131107.5 Ų107.570%0.70159%0.586SS**  trans-100.485.4173.9-158.35.7000109.7G130 G134G130-D132 PolarHBondContact O-N 3.07Å; D132-G134 PolarHBondContact O-N 2.81Å
133H38.2Very low49.1Very low167 Ų167107.6 Ų107.677%0.77359%0.586SS**  trans-89.376.2167.8-75.2-57.8000109.5N135H133-N135 VanDerWaalsContact C-N 3.27Å; H133-N135 PolarHBondContact O-N 3Å
134G30.4Very low48Very low70 Ų70107.4 Ų107.472%0.72258%0.581SS**SBendtrans5412.313900000121.2D132D132-G134 PolarHBondContact O-N 2.81Å
135N28.4Very low46.9Very low148 Ų148103.4 Ų103.479%0.79156%0.559SS**SBendtrans-132.6112.3-179.6-82.7-22.9000111.3H133H133-N135 VanDerWaalsContact C-N 3.27Å; H133-N135 PolarHBondContact O-N 3Å
136E30.2Very low46Very low176 Ų17699.9 Ų99.982%0.82254%0.544SS*.  trans3681.6164.6-67-177.7162.100115.1V138E136-V138 PolarHBondContact O-N 3.46Å
137S31Very low45Very low93 Ų9398.7 Ų98.765%0.6554%0.544SS*.  trans-59.792.8156.364.30000107.1N139S137-N139 PolarHBondContact O-N 2.85Å
138V41.2Very low44.4Very low83 Ų83100.3 Ų100.350%0.50355%0.55SS.*  trans-60.798.8173-174.80000105.3E136 L140E136-V138 PolarHBondContact O-N 3.46Å; V138-L140 HydrophobicContact CB-CD1 3.74Å; V138-L140 HydrophobicContact CB-CG 4.47Å; V138-L140 HydrophobicContact CG1-CB 4.47Å; V138-L140 HydrophobicContact CG1-CD1 3.36Å; V138-L140 HydrophobicContact CG1-CG 3.63Å; V138-L140 PolarHBondContact O-N 3.25Å
139N44.4Very low43.7Very low97 Ų9796 Ų9652%0.51955%0.548SS..  trans-68.366.3170.9-96.6-43.5000107.5S137 S141 K142S137-N139 PolarHBondContact O-N 2.85Å; N139-S141 PolarHBondContact O-N 2.86Å; N139-K142 HydrophobicContact CB-CD 4.43Å; N139-K142 HydrophobicContact CB-CG 4.16Å; N139-K142 PolarHBondContact O-N 3.44Å; N139-K142 VanDerWaalsContact O-N 3.14Å
140L47.6Very low43Very low12 Ų1296.4 Ų96.46%0.06355%0.55CS.*THydrogen-bonded Turntrans-60.2-7.4172.9-91.7124.5000112S90 I120 V138S90-L140 WeakPolarHBondContact OG-CD2 3.22Å; S90-L140 WeakPolarHBondContact OG-CG 3.34Å; I120-L140 HydrophobicContact CD1-CB 4.12Å; I120-L140 HydrophobicContact CG1-CB 3.91Å; I120-L140 HydrophobicContact CG1-CD1 4.44Å; V138-L140 HydrophobicContact CB-CD1 3.74Å; V138-L140 HydrophobicContact CB-CG 4.47Å; V138-L140 HydrophobicContact CG1-CB 4.47Å; V138-L140 HydrophobicContact CG1-CD1 3.36Å; V138-L140 HydrophobicContact CG1-CG 3.63Å; V138-L140 PolarHBondContact O-N 3.25Å
141S46.6Very low43.3Very low74 Ų7496.2 Ų96.252%0.51753%0.533SS..THydrogen-bonded Turntrans-106.37.8179.951.20000114.1N139 P143N139-S141 PolarHBondContact O-N 2.86Å; S141-P143 VanDerWaalsContact O-CD 3.24Å; S141-P143 WeakPolarHBondContact O-CD 3.38Å
142K49.3Very low43.7Very low148 Ų14897.3 Ų97.364%0.64354%0.536SS*.SBendtrans-65.2116.5166.9-87.4-177.8-177.4-174.80107.6N139 I144N139-K142 HydrophobicContact CB-CD 4.43Å; N139-K142 HydrophobicContact CB-CG 4.16Å; N139-K142 PolarHBondContact O-N 3.44Å; N139-K142 VanDerWaalsContact O-N 3.14Å; K142-I144 PolarHBondContact O-N 3.45Å
143P51.2Low44.6Very low46 Ų4695.4 Ų95.430%0.29953%0.532SS..  trans-66.7111.7-177.426-31.8000108.9D86 S141 L145 N146D86-P143 WeakPolarHBondContact OD2-CA 3.42Å; S141-P143 VanDerWaalsContact O-CD 3.24Å; S141-P143 WeakPolarHBondContact O-CD 3.38Å; P143-L145 PolarHBondContact O-N 3.33Å; P143-N146 HydrophobicContact CB-CB 3.67Å; P143-N146 VanDerWaalsContact CB-CG 3.42Å; P143-N146 VanDerWaalsContact CB-ND2 3.35Å; P143-N146 WeakPolarHBondContact CB-ND2 3.49Å; P143-N146 HydrophobicContact CG-CB 3.71Å; P143-N146 WeakPolarHBondContact CG-ND2 3.36Å
144I54.3Low45.7Very low47 Ų4795.6 Ų95.624%0.24153%0.526CS..SBendtrans-67-35.3177.9-62.5170.3000108.5D86 A89 K142 D155D86-I144 WeakPolarHBondContact OD1-CB 3.29Å; D86-I144 PolarHBondContact OD1-N 3.13Å; A89-I144 HydrophobicContact CB-CD1 3.85Å; K142-I144 PolarHBondContact O-N 3.45Å; I144-D155 HydrophobicContact CG2-CB 3.97Å; I144-D155 WeakPolarHBondContact CG2-OD2 3.26Å
145L53.5Low47.6Very low6 Ų693.5 Ų93.53%0.03150%0.498CS..THydrogen-bonded Turntrans-86.2-11.5-175.5-112.960.2000116W81 F85 D86 P143W81-L145 HydrophobicContact CD2-CD2 3.46Å; W81-L145 VanDerWaalsContact CD2-CD2 3.46Å; W81-L145 HydrophobicContact CD2-CG 4.37Å; W81-L145 HydrophobicContact CE3-CD2 3.24Å; W81-L145 HydrophobicContact CE3-CG 4.14Å; W81-L145 HydrophobicContact CG-CD2 4.32Å; W81-L145 HydrophobicContact CH2-CB 4.1Å; W81-L145 HydrophobicContact CH2-CD1 4.44Å; W81-L145 HydrophobicContact CH2-CD2 3.43Å; W81-L145 VanDerWaalsContact CH2-CD2 3.43Å; W81-L145 HydrophobicContact CH2-CG 3.32Å; W81-L145 HydrophobicContact CZ2-CB 3.81Å; W81-L145 HydrophobicContact CZ2-CD2 3.58Å; W81-L145 HydrophobicContact CZ2-CG 3.54Å; W81-L145 HydrophobicContact CZ3-CD2 3.23Å; W81-L145 HydrophobicContact CZ3-CG 3.63Å; F85-L145 HydrophobicContact CD1-CD1 3.84Å; F85-L145 HydrophobicContact CD1-CD2 3.99Å; F85-L145 HydrophobicContact CE1-CD1 3.79Å; D86-L145 PolarHBondContact OD1-N 3.48Å; P143-L145 PolarHBondContact O-N 3.33Å
146N50.2Low49.9Very low46 Ų4687.5 Ų87.525%0.24647%0.467CS..THydrogen-bonded Turntrans-82.2-13.1-176.1-75.1-1.4000114P143 T148 S240P143-N146 HydrophobicContact CB-CB 3.67Å; P143-N146 VanDerWaalsContact CB-CG 3.42Å; P143-N146 VanDerWaalsContact CB-ND2 3.35Å; P143-N146 WeakPolarHBondContact CB-ND2 3.49Å; P143-N146 HydrophobicContact CG-CB 3.71Å; P143-N146 WeakPolarHBondContact CG-ND2 3.36Å; N146-T148 PolarHBondContact O-N 3.4Å; N146-S240 VanDerWaalsContact ND2-CB 3.29Å; N146-S240 WeakPolarHBondContact ND2-CB 3.42Å
147N45.5Very low52.5Low105 Ų10585.2 Ų85.256%0.56146%0.457SS*.  trans-93.791.4172.9-76.8-4.3000109T149 E150N147-T149 PolarHBondContact O-N 2.76Å; N147-E150 PolarHBondContact O-N 3.34Å
148T47.2Very low55.1Low115 Ų11582.2 Ų82.271%0.70643%0.432SS*.THydrogen-bonded Turntrans-60.3-9.5177.643.40000114.1N146N146-T148 PolarHBondContact O-N 3.4Å
149T43.5Very low57.3Low126 Ų12679.7 Ų79.777%0.77341%0.413SS*.THydrogen-bonded Turntrans-99.6-11.8-176.244.80000115.1N147N147-T149 PolarHBondContact O-N 2.76Å
150E43.7Very low59.4Low156 Ų15682.2 Ų82.273%0.72942%0.415SS*.  trans-150.163.3177.5-72.9-174.5160.800111.4N147 Q152N147-E150 PolarHBondContact O-N 3.34Å; E150-Q152 PolarHBondContact O-N 3.11Å
151I50.2Low61.4Low64 Ų6485.3 Ų85.333%0.32843%0.427SS..  trans-70.6106.8161.8-48177.9000105.9S153 D155 T156I151-S153 PolarHBondContact O-N 2.99Å; I151-D155 HydrophobicContact CG2-CB 4.44Å; I151-T156 WeakPolarHBondContact CG2-OG1 3.39Å
152Q51.9Low63.5Low134 Ų13481.8 Ų81.863%0.62640%0.402SS*.  trans-52.5131.9174.3-65-176.112.900107.9E150 R154 D155 T156E150-Q152 PolarHBondContact O-N 3.11Å; Q152-R154 PolarHBondContact O-N 2.79Å; Q152-D155 PolarHBondContact O-N 3.46Å; Q152-T156 PolarHBondContact O-N 3.15Å
153S59.1Low65.4Low90 Ų9077 Ų7763%0.62938%0.38SS*.Hα-helixtrans-49.4-36.3-174.352.90000112.3I151 T156 E157I151-S153 PolarHBondContact O-N 2.99Å; S153-T156 PolarHBondContact O-N 3.28Å; S153-E157 WeakPolarHBondContact O-CG 3.43Å; S153-E157 PolarHBondContact O-N 2.81Å
154R60.5Low67.4Low172 Ų17280.8 Ų80.865%0.64939%0.392SS*.Hα-helixtrans-60.5-45.6177.1-169.2-180-179.3-165.8-2.1113.9Q152 T156 E157 F158Q152-R154 PolarHBondContact O-N 2.79Å; R154-T156 VanDerWaalsContact C-N 3.31Å; R154-T156 PolarHBondContact O-N 3.38Å; R154-E157 PolarHBondContact O-N 3.04Å; R154-F158 WeakPolarHBondContact O-CB 3.24Å; R154-F158 PolarHBondContact O-N 2.74Å
155D70.6Confident69.1Low25 Ų2579.2 Ų79.213%0.13439%0.385CS..Hα-helixtrans-70.1-33.7-178.1-67.1-33.6000111.1I144 I151 Q152 W159I144-D155 HydrophobicContact CG2-CB 3.97Å; I144-D155 WeakPolarHBondContact CG2-OD2 3.26Å; I151-D155 HydrophobicContact CG2-CB 4.44Å; Q152-D155 PolarHBondContact O-N 3.46Å; D155-W159 VanDerWaalsContact O-CB 3.3Å; D155-W159 WeakPolarHBondContact O-CB 3.32Å; D155-W159 PolarHBondContact O-N 2.7Å
156T77Confident70.9Confident23 Ų2379.2 Ų79.214%0.14138%0.384CS..Hα-helixtrans-66.6-42.7174.2-41.90000111.8I151 Q152 S153 R154 W159 R160I151-T156 WeakPolarHBondContact CG2-OG1 3.39Å; Q152-T156 PolarHBondContact O-N 3.15Å; S153-T156 PolarHBondContact O-N 3.28Å; R154-T156 VanDerWaalsContact C-N 3.31Å; R154-T156 PolarHBondContact O-N 3.38Å; T156-W159 PolarHBondContact O-N 2.74Å; T156-R160 VanDerWaalsContact CG2-NH1 3.27Å; T156-R160 VanDerWaalsContact O-CG 3.31Å; T156-R160 WeakPolarHBondContact O-CG 3.45Å; T156-R160 PolarHBondContact O-N 3.42Å
157E84.4Confident72.9Confident128 Ų12878.3 Ų78.360%0.59838%0.381SS*.Hα-helixtrans-64.8-43.5176.5-75.6178.8-174.300111.7S153 R154 R160 Y161S153-E157 WeakPolarHBondContact O-CG 3.43Å; S153-E157 PolarHBondContact O-N 2.81Å; R154-E157 PolarHBondContact O-N 3.04Å; E157-R160 PolarHBondContact O-N 3.2Å; E157-Y161 WeakPolarHBondContact O-CB 2.98Å; E157-Y161 PolarHBondContact O-N 2.94Å
158F85.9Confident75.1Confident29 Ų2978.5 Ų78.513%0.12738%0.379CS..Hα-helixtrans-61.3-44.9175.8-175.5-118.1000111.9F85 A89 F92 L101 L109 R154 Y161 I162F85-F158 HydrophobicContact CE2-CD1 4.23Å; F85-F158 HydrophobicContact CZ-CD1 4.12Å; A89-F158 HydrophobicContact CB-CD1 4.23Å; A89-F158 HydrophobicContact CB-CE1 4.25Å; F92-F158 HydrophobicContact CB-CE1 3.96Å; F92-F158 HydrophobicContact CB-CE2 4.38Å; F92-F158 HydrophobicContact CB-CZ 3.54Å; F92-F158 HydrophobicContact CD1-CD2 4.39Å; F92-F158 HydrophobicContact CD1-CE1 4.48Å; F92-F158 AromaticContact CD1-CE2 3.58Å; F92-F158 HydrophobicContact CD1-CE2 3.58Å; F92-F158 AromaticContact CD1-CZ 3.63Å; F92-F158 HydrophobicContact CD1-CZ 3.63Å; F92-F158 AromaticContact CD2-CE2 3.97Å; F92-F158 HydrophobicContact CD2-CE2 3.97Å; F92-F158 AromaticContact CD2-CZ 3.66Å; F92-F158 HydrophobicContact CD2-CZ 3.66Å; F92-F158 AromaticContact CE1-CE2 3.76Å; F92-F158 HydrophobicContact CE1-CE2 3.76Å; F92-F158 HydrophobicContact CE1-CZ 4.25Å; F92-F158 HydrophobicContact CE2-CE2 4.14Å; F92-F158 HydrophobicContact CE2-CZ 4.28Å; F92-F158 HydrophobicContact CG-CE1 4.18Å; F92-F158 AromaticContact CG-CE2 3.7Å; F92-F158 HydrophobicContact CG-CE2 3.7Å; F92-F158 AromaticContact CG-CZ 3.3Å; F92-F158 HydrophobicContact CG-CZ 3.3Å; F92-F158 HydrophobicContact CZ-CE2 4.06Å; L101-F158 HydrophobicContact CD2-CE2 4.28Å; L109-F158 HydrophobicContact CD2-CZ 4.18Å; R154-F158 WeakPolarHBondContact O-CB 3.24Å; R154-F158 PolarHBondContact O-N 2.74Å; F158-Y161 PolarHBondContact O-N 3.01Å; F158-I162 HydrophobicContact CD1-CD1 3.6Å; F158-I162 HydrophobicContact CD2-CD1 4.23Å; F158-I162 HydrophobicContact CE1-CD1 3.16Å; F158-I162 HydrophobicContact CE1-CG1 4.32Å; F158-I162 HydrophobicContact CE2-CD1 3.87Å; F158-I162 HydrophobicContact CE2-CG1 4.21Å; F158-I162 HydrophobicContact CG-CD1 4.11Å; F158-I162 HydrophobicContact CZ-CD1 3.32Å; F158-I162 HydrophobicContact CZ-CG1 4.09Å; F158-I162 WeakPolarHBondContact O-CG1 3.28Å; F158-I162 PolarHBondContact O-N 2.92Å
159W87.3Confident77.1Confident31 Ų3176 Ų7612%0.11736%0.359CS..Hα-helixtrans-57.6-50173.6175.672.4000112.6D80 F85 D155 T156 Y161 I162 R163D80-W159 PolarHBondContact O-NE1 3.48Å; D80-W159 VanDerWaalsContact OD2-CZ2 3.22Å; D80-W159 WeakPolarHBondContact OD2-CZ2 3.25Å; F85-W159 AromaticContact CD2-CD1 3.72Å; F85-W159 HydrophobicContact CE1-CB 4.02Å; F85-W159 HydrophobicContact CE1-CG 4.46Å; F85-W159 HydrophobicContact CE2-CB 3.65Å; F85-W159 AromaticContact CE2-CD1 3.68Å; F85-W159 HydrophobicContact CE2-CG 4.07Å; F85-W159 HydrophobicContact CZ-CB 3.36Å; F85-W159 AromaticContact CZ-CD1 3.99Å; F85-W159 HydrophobicContact CZ-CG 4.06Å; D155-W159 VanDerWaalsContact O-CB 3.3Å; D155-W159 WeakPolarHBondContact O-CB 3.32Å; D155-W159 PolarHBondContact O-N 2.7Å; T156-W159 PolarHBondContact O-N 2.74Å; W159-Y161 VanDerWaalsContact C-N 3.28Å; W159-Y161 PolarHBondContact O-N 3.16Å; W159-I162 PolarHBondContact O-N 3.26Å; W159-R163 VanDerWaalsContact CH2-NH1 3.27Å; W159-R163 WeakPolarHBondContact O-CB 3.31Å; W159-R163 PolarHBondContact O-N 3.35Å
160R88.7Confident79.4Confident149 Ų14970.4 Ų70.456%0.56233%0.325SS*.Hα-helixtrans-59.4-40.6178.1-74.6180-174.9121.61.6111.6T156 E157 K164T156-R160 VanDerWaalsContact CG2-NH1 3.27Å; T156-R160 VanDerWaalsContact O-CG 3.31Å; T156-R160 WeakPolarHBondContact O-CG 3.45Å; T156-R160 PolarHBondContact O-N 3.42Å; E157-R160 PolarHBondContact O-N 3.2Å; R160-K164 WeakPolarHBondContact O-CB 3.41Å; R160-K164 PolarHBondContact O-N 3.06Å
161Y90Very high81.7Confident78 Ų7866.1 Ų66.131%0.30631%0.305SS..Hα-helixtrans-63.6-50.5176.6178.9-93.5000111.7L101 E157 F158 W159 R163 K164 V165L101-Y161 HydrophobicContact CD1-CE1 3.91Å; L101-Y161 HydrophobicContact CD2-CD1 4.01Å; L101-Y161 HydrophobicContact CD2-CE1 3.54Å; L101-Y161 HydrophobicContact CG-CD1 4.47Å; L101-Y161 HydrophobicContact CG-CE1 3.58Å; E157-Y161 WeakPolarHBondContact O-CB 2.98Å; E157-Y161 PolarHBondContact O-N 2.94Å; F158-Y161 PolarHBondContact O-N 3.01Å; W159-Y161 VanDerWaalsContact C-N 3.28Å; W159-Y161 PolarHBondContact O-N 3.16Å; Y161-R163 VanDerWaalsContact C-N 3.32Å; Y161-R163 PolarHBondContact O-N 3.24Å; Y161-K164 WeakPolarHBondContact O-CB 3.38Å; Y161-K164 PolarHBondContact O-N 2.98Å; Y161-K164 VanDerWaalsContact O-N 3.17Å; Y161-V165 HydrophobicContact CD1-CG1 4.4Å; Y161-V165 HydrophobicContact CD2-CG1 4.42Å; Y161-V165 HydrophobicContact CE1-CG1 3.84Å; Y161-V165 HydrophobicContact CE1-CG2 4.26Å; Y161-V165 HydrophobicContact CE2-CG1 3.89Å; Y161-V165 WeakPolarHBondContact O-CG2 3.44Å; Y161-V165 PolarHBondContact O-N 2.84Å
162I88.9Confident83.7Confident0 Ų065.6 Ų65.60%031%0.307CS..Hα-helixtrans-58.3-45.3177.8-70.8163.7000111.2I43 A44 F85 L88 L109 F158 W159 K164 V165 T166I43-I162 HydrophobicContact CB-CG2 4.25Å; I43-I162 HydrophobicContact CD1-CG2 4Å; I43-I162 HydrophobicContact CG1-CG2 4.27Å; A44-I162 HydrophobicContact CB-CG2 3.89Å; F85-I162 HydrophobicContact CD2-CD1 4.43Å; F85-I162 HydrophobicContact CE2-CD1 3.79Å; L88-I162 HydrophobicContact CD2-CD1 3.55Å; L88-I162 HydrophobicContact CD2-CG1 4.46Å; L88-I162 HydrophobicContact CD2-CG2 4.31Å; L88-I162 HydrophobicContact CG-CD1 4.26Å; L109-I162 HydrophobicContact CD1-CB 4.45Å; L109-I162 HydrophobicContact CD1-CG1 3.93Å; L109-I162 HydrophobicContact CD1-CG2 4.07Å; L109-I162 HydrophobicContact CD2-CD1 4.12Å; L109-I162 HydrophobicContact CD2-CG1 3.96Å; F158-I162 HydrophobicContact CD1-CD1 3.6Å; F158-I162 HydrophobicContact CD2-CD1 4.23Å; F158-I162 HydrophobicContact CE1-CD1 3.16Å; F158-I162 HydrophobicContact CE1-CG1 4.32Å; F158-I162 HydrophobicContact CE2-CD1 3.87Å; F158-I162 HydrophobicContact CE2-CG1 4.21Å; F158-I162 HydrophobicContact CG-CD1 4.11Å; F158-I162 HydrophobicContact CZ-CD1 3.32Å; F158-I162 HydrophobicContact CZ-CG1 4.09Å; F158-I162 WeakPolarHBondContact O-CG1 3.28Å; F158-I162 PolarHBondContact O-N 2.92Å; W159-I162 PolarHBondContact O-N 3.26Å; I162-K164 VanDerWaalsContact C-N 3.34Å; I162-K164 PolarHBondContact O-N 3.06Å; I162-V165 WeakPolarHBondContact O-CG2 3.43Å; I162-T166 VanDerWaalsContact O-CB 3.27Å; I162-T166 WeakPolarHBondContact O-CB 3.46Å; I162-T166 PolarHBondContact O-N 2.91Å; I162-T166 PolarHBondContact O-OG1 2.93Å
163R90.5Very high85.6Confident47 Ų4759.5 Ų59.518%0.17728%0.278CS..Hα-helixtrans-57.9-48.7176.8178.3173167.5169.2-12.5110.3D80 W159 Y161 T166 C167 Y186 S188D80-R163 WeakPolarHBondContact OD2-CD 3.38Å; D80-R163 IonicContact OD2-CZ 3.43Å; D80-R163 IonicContact OD2-NE 2.68Å; D80-R163 IonicContact OD2-NH1 3.37Å; D80-R163 PolarHBondContact OD2-NH1 2.89Å; W159-R163 VanDerWaalsContact CH2-NH1 3.27Å; W159-R163 WeakPolarHBondContact O-CB 3.31Å; W159-R163 PolarHBondContact O-N 3.35Å; Y161-R163 VanDerWaalsContact C-N 3.32Å; Y161-R163 PolarHBondContact O-N 3.24Å; R163-T166 PolarHBondContact O-N 3.49Å; R163-C167 WeakPolarHBondContact O-CB 3.39Å; R163-C167 PolarHBondContact O-N 3.44Å; R163-C167 PolarHBondContact O-SG 3.13Å; R163-Y186 HydrophobicContact CG-CD1 4.49Å; R163-Y186 HydrophobicContact CG-CE1 4.18Å; R163-Y186 VanDerWaalsContact CZ-CE1 3.5Å; R163-Y186 VanDerWaalsContact NH2-CZ 3.34Å; R163-S188 PolarHBondContact NH1-OG 3.28Å; R163-S188 VanDerWaalsContact NH1-OG 3.07Å
164K92.2Very high87.3Confident126 Ų12655.2 Ų55.255%0.54825%0.248SC..Hα-helixtrans-57.2-57.4178.3-179.2-178.8173.5-177.50112.1R160 Y161 I162 T166 C167 E168R160-K164 WeakPolarHBondContact O-CB 3.41Å; R160-K164 PolarHBondContact O-N 3.06Å; Y161-K164 WeakPolarHBondContact O-CB 3.38Å; Y161-K164 PolarHBondContact O-N 2.98Å; Y161-K164 VanDerWaalsContact O-N 3.17Å; I162-K164 VanDerWaalsContact C-N 3.34Å; I162-K164 PolarHBondContact O-N 3.06Å; K164-T166 VanDerWaalsContact C-N 3.3Å; K164-T166 PolarHBondContact O-N 3Å; K164-C167 PolarHBondContact O-N 2.88Å; K164-C167 VanDerWaalsContact O-N 3.17Å; K164-E168 WeakPolarHBondContact CE-OE1 3.29Å; K164-E168 IonicContact NZ-OE1 3.89Å; K164-E168 WeakPolarHBondContact O-CG 3.26Å; K164-E168 PolarHBondContact O-N 3.49Å
165V91.2Very high88.9Confident14 Ų1453 Ų539%0.08525%0.245CC..Hα-helixtrans-65.6-33.2-175.9-59.90000112.5P105 I106 L109 Y161 I162 Q169P105-V165 HydrophobicContact CB-CB 4.04Å; P105-V165 HydrophobicContact CB-CG1 4.42Å; P105-V165 HydrophobicContact CB-CG2 3.86Å; P105-V165 HydrophobicContact CG-CB 4.22Å; I106-V165 HydrophobicContact CD1-CG2 4.36Å; L109-V165 HydrophobicContact CD1-CG2 4.32Å; Y161-V165 HydrophobicContact CD1-CG1 4.4Å; Y161-V165 HydrophobicContact CD2-CG1 4.42Å; Y161-V165 HydrophobicContact CE1-CG1 3.84Å; Y161-V165 HydrophobicContact CE1-CG2 4.26Å; Y161-V165 HydrophobicContact CE2-CG1 3.89Å; Y161-V165 WeakPolarHBondContact O-CG2 3.44Å; Y161-V165 PolarHBondContact O-N 2.84Å; I162-V165 WeakPolarHBondContact O-CG2 3.43Å; V165-Q169 PolarHBondContact O-N 2.96Å
166T90.8Very high89.9Confident5 Ų553.9 Ų53.93%0.03125%0.247CC..Hα-helixtrans-66.5-45.8173.8-53.90000110.8I43 A44 I106 I162 R163 K164 E168 Q169 L170I43-T166 HydrophobicContact CB-CG2 4.27Å; I43-T166 HydrophobicContact CG2-CG2 4.35Å; A44-T166 PolarHBondContact N-OG1 3.24Å; I106-T166 HydrophobicContact CD1-CG2 4.5Å; I162-T166 VanDerWaalsContact O-CB 3.27Å; I162-T166 WeakPolarHBondContact O-CB 3.46Å; I162-T166 PolarHBondContact O-N 2.91Å; I162-T166 PolarHBondContact O-OG1 2.93Å; R163-T166 PolarHBondContact O-N 3.49Å; K164-T166 VanDerWaalsContact C-N 3.3Å; K164-T166 PolarHBondContact O-N 3Å; T166-E168 PolarHBondContact O-N 3.26Å; T166-Q169 PolarHBondContact O-N 2.59Å; T166-L170 HydrophobicContact CG2-CD1 3.91Å; T166-L170 HydrophobicContact CG2-CG 4.23Å; T166-L170 WeakPolarHBondContact O-CB 3.33Å; T166-L170 VanDerWaalsContact O-CG 3.22Å; T166-L170 WeakPolarHBondContact O-CG 3.39Å; T166-L170 PolarHBondContact O-N 2.94Å
167C91.8Very high90.7Very high27 Ų2753 Ų5318%0.18224%0.241CC..Hα-helixtrans-64.2-40.4179.6-67.30000112.5R163 K164 Q169 L170 E171R163-C167 WeakPolarHBondContact O-CB 3.39Å; R163-C167 PolarHBondContact O-N 3.44Å; R163-C167 PolarHBondContact O-SG 3.13Å; K164-C167 PolarHBondContact O-N 2.88Å; K164-C167 VanDerWaalsContact O-N 3.17Å; C167-Q169 PolarHBondContact O-N 3.01Å; C167-L170 PolarHBondContact O-N 2.84Å; C167-E171 WeakPolarHBondContact O-CB 3.16Å; C167-E171 PolarHBondContact O-N 3.1Å
168E91.3Very high91.1Very high109 Ų10950.2 Ų50.251%0.50923%0.231SC..Hα-helixtrans-60.7-44.3175.9-72.7171.7174.300111.8K164 T166 S172K164-E168 WeakPolarHBondContact CE-OE1 3.29Å; K164-E168 IonicContact NZ-OE1 3.89Å; K164-E168 WeakPolarHBondContact O-CG 3.26Å; K164-E168 PolarHBondContact O-N 3.49Å; T166-E168 PolarHBondContact O-N 3.26Å; E168-S172 PolarHBondContact O-N 2.81Å; E168-S172 VanDerWaalsContact O-N 3.13Å
169Q89.4Confident91.6Very high63 Ų6349 Ų4929%0.29423%0.225SC..Hα-helixtrans-66.6-40.3175.9-176.663.654.500112.4I106 V165 T166 C167 S172 N173I106-Q169 HydrophobicContact CG1-CB 4.09Å; I106-Q169 HydrophobicContact CG1-CG 4.13Å; V165-Q169 PolarHBondContact O-N 2.96Å; T166-Q169 PolarHBondContact O-N 2.59Å; C167-Q169 PolarHBondContact O-N 3.01Å; Q169-S172 PolarHBondContact O-N 3.42Å; Q169-N173 PolarHBondContact NE2-OD1 3.07Å; Q169-N173 VanDerWaalsContact O-CG 3.28Å; Q169-N173 PolarHBondContact O-N 2.96Å; Q169-N173 PolarHBondContact O-ND2 3.01Å
170L92.4Very high92Very high9 Ų957 Ų575%0.04726%0.256CS..Hα-helixtrans-62.9-45.8177.4-73.4174.3000111.2P41 F47 I78 T166 C167 S172 N173 Y174P41-L170 HydrophobicContact CB-CD2 4.43Å; P41-L170 HydrophobicContact CG-CD1 3.56Å; P41-L170 HydrophobicContact CG-CD2 3.8Å; P41-L170 HydrophobicContact CG-CG 4.35Å; F47-L170 HydrophobicContact CB-CD2 4.49Å; F47-L170 HydrophobicContact CD2-CD2 3.36Å; F47-L170 HydrophobicContact CE2-CD2 3.8Å; F47-L170 HydrophobicContact CG-CD2 4.22Å; I78-L170 HydrophobicContact CD1-CD1 3.85Å; T166-L170 HydrophobicContact CG2-CD1 3.91Å; T166-L170 HydrophobicContact CG2-CG 4.23Å; T166-L170 WeakPolarHBondContact O-CB 3.33Å; T166-L170 VanDerWaalsContact O-CG 3.22Å; T166-L170 WeakPolarHBondContact O-CG 3.39Å; T166-L170 PolarHBondContact O-N 2.94Å; C167-L170 PolarHBondContact O-N 2.84Å; L170-S172 VanDerWaalsContact C-N 3.33Å; L170-S172 PolarHBondContact O-N 2.84Å; L170-N173 WeakPolarHBondContact O-CB 3.4Å; L170-N173 PolarHBondContact O-N 2.66Å; L170-N173 VanDerWaalsContact O-N 3.11Å; L170-Y174 HydrophobicContact CB-CD2 4.29Å; L170-Y174 HydrophobicContact CB-CE2 3.79Å; L170-Y174 WeakPolarHBondContact O-CD2 3.26Å; L170-Y174 VanDerWaalsContact O-CG 3.29Å; L170-Y174 PolarHBondContact O-N 3.18Å
171E92.3Very high92.4Very high66 Ų6651.1 Ų51.131%0.30823%0.234SC..Hα-helixtrans-58-45.1176.5-176.660.5-144.600111.2C167 N173 Y174 Q175 Y184C167-E171 WeakPolarHBondContact O-CB 3.16Å; C167-E171 PolarHBondContact O-N 3.1Å; E171-N173 VanDerWaalsContact C-N 3.34Å; E171-N173 PolarHBondContact O-N 3.19Å; E171-Y174 PolarHBondContact O-N 2.97Å; E171-Q175 VanDerWaalsContact O-CG 3.32Å; E171-Q175 WeakPolarHBondContact O-CG 3.38Å; E171-Q175 PolarHBondContact O-N 2.96Å; E171-Q175 PolarHBondContact OE1-NE2 3.1Å; E171-Q175 VanDerWaalsContact OE1-NE2 3.14Å; E171-Y184 PolarHBondContact OE2-OH 3.46Å
172S90.8Very high92.7Very high53 Ų5351.3 Ų51.337%0.37124%0.243SC..Hα-helixtrans-58.4-43.6173.9-1780000112.4E168 Q169 L170 Q175 R176E168-S172 PolarHBondContact O-N 2.81Å; E168-S172 VanDerWaalsContact O-N 3.13Å; Q169-S172 PolarHBondContact O-N 3.42Å; L170-S172 VanDerWaalsContact C-N 3.33Å; L170-S172 PolarHBondContact O-N 2.84Å; S172-Q175 PolarHBondContact O-N 2.73Å; S172-R176 PolarHBondContact O-N 3.03Å
173N92.3Very high93.1Very high5 Ų552.3 Ų52.33%0.02725%0.25CS..Hα-helixtrans-65.1-42.4176.6-68-18.7000111.8Q169 L170 E171 Q175 R176 M177Q169-N173 PolarHBondContact NE2-OD1 3.07Å; Q169-N173 VanDerWaalsContact O-CG 3.28Å; Q169-N173 PolarHBondContact O-N 2.96Å; Q169-N173 PolarHBondContact O-ND2 3.01Å; L170-N173 WeakPolarHBondContact O-CB 3.4Å; L170-N173 PolarHBondContact O-N 2.66Å; L170-N173 VanDerWaalsContact O-N 3.11Å; E171-N173 VanDerWaalsContact C-N 3.34Å; E171-N173 PolarHBondContact O-N 3.19Å; N173-Q175 VanDerWaalsContact C-N 3.34Å; N173-Q175 PolarHBondContact O-N 3.22Å; N173-R176 PolarHBondContact O-N 3.19Å; N173-M177 HydrophobicContact CB-CE 4.32Å; N173-M177 WeakPolarHBondContact O-CE 3.38Å; N173-M177 WeakPolarHBondContact O-CG 3.41Å; N173-M177 PolarHBondContact O-N 2.83Å; N173-M177 VanDerWaalsContact O-N 3.08Å
174Y95.4Very high93.3Very high0 Ų053.3 Ų53.30%026%0.255CS..Hα-helixtrans-63.8-38.4178.4-64.7-49.1000112.4S39 F47 T55 N76 L170 E171 M177 N178 I179 F181 Y184S39-Y174 WeakPolarHBondContact CB-OH 3.01Å; S39-Y174 WeakPolarHBondContact OG-CE1 3.44Å; S39-Y174 PolarHBondContact OG-OH 3.21Å; F47-Y174 HydrophobicContact CE2-CE1 4.33Å; F47-Y174 HydrophobicContact CZ-CE1 4.1Å; T55-Y174 HydrophobicContact CG2-CD1 3.84Å; T55-Y174 HydrophobicContact CG2-CE1 3.55Å; N76-Y174 WeakPolarHBondContact ND2-CE2 3.23Å; N76-Y174 PolarHBondContact ND2-OH 2.91Å; L170-Y174 HydrophobicContact CB-CD2 4.29Å; L170-Y174 HydrophobicContact CB-CE2 3.79Å; L170-Y174 WeakPolarHBondContact O-CD2 3.26Å; L170-Y174 VanDerWaalsContact O-CG 3.29Å; L170-Y174 PolarHBondContact O-N 3.18Å; E171-Y174 PolarHBondContact O-N 2.97Å; Y174-M177 HydrophobicContact CD1-CE 3.41Å; Y174-M177 VanDerWaalsContact CD1-CE 3.41Å; Y174-M177 HydrophobicContact CE1-CE 3.91Å; Y174-M177 HydrophobicContact CG-CE 4.35Å; Y174-M177 CarbonylContact O-C 3.54Å; Y174-M177 PolarHBondContact O-N 2.82Å; Y174-M177 VanDerWaalsContact O-N 3.17Å; Y174-N178 PolarHBondContact O-N 3.39Å; Y174-N178 VanDerWaalsContact O-N 3.13Å; Y174-I179 HydrophobicContact CD1-CG2 4.44Å; Y174-I179 PolarHBondContact O-N 2.74Å; Y174-F181 AromaticContact CD1-CE2 3.66Å; Y174-F181 HydrophobicContact CD1-CE2 3.66Å; Y174-F181 HydrophobicContact CD1-CZ 4.27Å; Y174-F181 HydrophobicContact CD2-CD2 4.15Å; Y174-F181 AromaticContact CD2-CE2 3.62Å; Y174-F181 HydrophobicContact CD2-CE2 3.62Å; Y174-F181 AromaticContact CE1-CE2 3.64Å; Y174-F181 HydrophobicContact CE1-CE2 3.64Å; Y174-F181 AromaticContact CE1-CZ 3.91Å; Y174-F181 HydrophobicContact CE1-CZ 3.91Å; Y174-F181 HydrophobicContact CE2-CD2 4.25Å; Y174-F181 AromaticContact CE2-CE2 3.54Å; Y174-F181 HydrophobicContact CE2-CE2 3.54Å; Y174-F181 HydrophobicContact CE2-CZ 4.33Å; Y174-F181 HydrophobicContact CG-CD2 4.42Å; Y174-F181 AromaticContact CG-CE2 3.7Å; Y174-F181 HydrophobicContact CG-CE2 3.7Å; Y174-F181 AromaticContact CZ-CE2 3.55Å; Y174-F181 AromaticContact CZ-CZ 3.92Å; Y174-Y184 HydrophobicContact CE2-CE1 4.38Å
175Q92.9Very high93.5Very high126 Ų12647.7 Ų47.759%0.58923%0.23SC*.Hα-helixtrans-61-46.2174.3-72.1173.17.800112E171 S172 N173 M177 N178E171-Q175 VanDerWaalsContact O-CG 3.32Å; E171-Q175 WeakPolarHBondContact O-CG 3.38Å; E171-Q175 PolarHBondContact O-N 2.96Å; E171-Q175 PolarHBondContact OE1-NE2 3.1Å; E171-Q175 VanDerWaalsContact OE1-NE2 3.14Å; S172-Q175 PolarHBondContact O-N 2.73Å; N173-Q175 VanDerWaalsContact C-N 3.34Å; N173-Q175 PolarHBondContact O-N 3.22Å; Q175-M177 PolarHBondContact O-N 3.37Å; Q175-N178 PolarHBondContact O-N 2.88Å
176R92.6Very high93.7Very high43 Ų4349 Ų4916%0.16223%0.234CC..Hα-helixtrans-59.2-36.4174.1-69.4-179.470.3177.75.1112.4S172 N173 N178 L340 N341 D377 V381S172-R176 PolarHBondContact O-N 3.03Å; N173-R176 PolarHBondContact O-N 3.19Å; R176-N178 PolarHBondContact O-N 2.8Å; R176-L340 VanDerWaalsContact NH2-CB 3.35Å; R176-N341 PolarHBondContact NH1-OD1 2.88Å; R176-N341 PolarHBondContact NH2-OD1 3.36Å; R176-N341 VanDerWaalsContact NH2-OD1 3.09Å; R176-D377 IonicContact CZ-OD1 2.57Å; R176-D377 IonicContact CZ-OD2 3.35Å; R176-D377 IonicContact NE-OD1 3.48Å; R176-D377 PolarHBondContact NE-OD1 3.03Å; R176-D377 IonicContact NE-OD2 2.72Å; R176-D377 PolarHBondContact NE-OD2 3.49Å; R176-D377 IonicContact NH2-OD1 3.99Å; R176-D377 PolarHBondContact NH2-OD1 3.49Å; R176-D377 IonicContact NH2-OD2 3.54Å; R176-V381 WeakPolarHBondContact O-CG2 3.34Å
177M93.6Very high93.9Very high4 Ų449.4 Ų49.42%0.0224%0.235CC..THydrogen-bonded Turntrans-78.5-2177.5-64.8-175.4-71.200114.1F47 F52 T55 N173 Y174 Q175 I179 L336F47-M177 HydrophobicContact CE1-CE 4.23Å; F47-M177 HydrophobicContact CZ-CE 4.42Å; F52-M177 HydrophobicContact CD2-CG 4.29Å; F52-M177 HydrophobicContact CD2-SD 3.27Å; F52-M177 WeakPolarHBondContact CD2-SD 3.39Å; F52-M177 HydrophobicContact CE2-CG 3.89Å; F52-M177 HydrophobicContact CE2-SD 3.43Å; F52-M177 WeakPolarHBondContact CE2-SD 3.41Å; F52-M177 HydrophobicContact CG-SD 4.42Å; T55-M177 HydrophobicContact CG2-CE 4.23Å; N173-M177 HydrophobicContact CB-CE 4.32Å; N173-M177 WeakPolarHBondContact O-CE 3.38Å; N173-M177 WeakPolarHBondContact O-CG 3.41Å; N173-M177 PolarHBondContact O-N 2.83Å; N173-M177 VanDerWaalsContact O-N 3.08Å; Y174-M177 HydrophobicContact CD1-CE 3.41Å; Y174-M177 VanDerWaalsContact CD1-CE 3.41Å; Y174-M177 HydrophobicContact CE1-CE 3.91Å; Y174-M177 HydrophobicContact CG-CE 4.35Å; Y174-M177 CarbonylContact O-C 3.54Å; Y174-M177 PolarHBondContact O-N 2.82Å; Y174-M177 VanDerWaalsContact O-N 3.17Å; Q175-M177 PolarHBondContact O-N 3.37Å; M177-I179 VanDerWaalsContact C-N 3.31Å; M177-I179 HydrophobicContact CB-CD1 3.88Å; M177-I179 HydrophobicContact CB-CG1 3.94Å; M177-I179 WeakPolarHBondContact O-CG1 3.45Å; M177-I179 PolarHBondContact O-N 3.11Å; M177-L336 HydrophobicContact CE-CD2 4.34Å; M177-L336 HydrophobicContact SD-CD2 3.89Å
178N92.8Very high93.9Very high71 Ų7149 Ų4938%0.3823%0.233SC..THydrogen-bonded Turntrans57.341.3-172.6-173.254.9000112.7Y174 Q175 R176 G568Y174-N178 PolarHBondContact O-N 3.39Å; Y174-N178 VanDerWaalsContact O-N 3.13Å; Q175-N178 PolarHBondContact O-N 2.88Å; R176-N178 PolarHBondContact O-N 2.8Å; N178-G568 PolarHBondContact ND2-O 3.39Å
179I96.2Very high94Very high2 Ų247.9 Ų47.91%0.0123%0.231CC..  trans-115.8137.1-178.6-61.8-178.6000109.2Y38 T55 V56 N59 Y174 M177 F181Y38-I179 HydrophobicContact CE2-CG2 4.15Å; T55-I179 HydrophobicContact CG2-CD1 3.42Å; T55-I179 VanDerWaalsContact CG2-CD1 3.42Å; T55-I179 HydrophobicContact CG2-CG2 4.2Å; V56-I179 HydrophobicContact CG1-CD1 4.36Å; N59-I179 HydrophobicContact CB-CD1 4.04Å; N59-I179 HydrophobicContact CB-CG1 4.23Å; Y174-I179 HydrophobicContact CD1-CG2 4.44Å; Y174-I179 PolarHBondContact O-N 2.74Å; M177-I179 VanDerWaalsContact C-N 3.31Å; M177-I179 HydrophobicContact CB-CD1 3.88Å; M177-I179 HydrophobicContact CB-CG1 3.94Å; M177-I179 WeakPolarHBondContact O-CG1 3.45Å; M177-I179 PolarHBondContact O-N 3.11Å; I179-F181 HydrophobicContact CG2-CE2 3.99Å; I179-F181 HydrophobicContact CG2-CZ 4.18Å
180R95Very high94.3Very high201 Ų20145.7 Ų45.776%0.75822%0.22SC*.  trans-135.5129.9176.7-63.4-178.1-178.5-176.6-1.6109.4
181F97.1Very high94.3Very high25 Ų2546.4 Ų46.411%0.1122%0.224CC..  trans-91.6150.6174-64-86.8000110.7Y38 T55 N76 Y174 I179 Y184Y38-F181 HydrophobicContact CD1-CD1 4.33Å; Y38-F181 AromaticContact CD1-CE1 3.81Å; Y38-F181 HydrophobicContact CD1-CE1 3.81Å; Y38-F181 AromaticContact CD2-CE1 3.87Å; Y38-F181 HydrophobicContact CD2-CE1 3.87Å; Y38-F181 HydrophobicContact CD2-CZ 4.24Å; Y38-F181 AromaticContact CE1-CD1 3.59Å; Y38-F181 HydrophobicContact CE1-CD1 3.59Å; Y38-F181 AromaticContact CE1-CE1 3.34Å; Y38-F181 HydrophobicContact CE1-CE1 3.34Å; Y38-F181 HydrophobicContact CE1-CZ 4.42Å; Y38-F181 HydrophobicContact CE2-CD1 4.29Å; Y38-F181 AromaticContact CE2-CE1 3.41Å; Y38-F181 HydrophobicContact CE2-CE1 3.41Å; Y38-F181 VanDerWaalsContact CE2-CE1 3.41Å; Y38-F181 AromaticContact CE2-CZ 3.71Å; Y38-F181 HydrophobicContact CE2-CZ 3.71Å; Y38-F181 HydrophobicContact CG-CE1 4.05Å; Y38-F181 AromaticContact CZ-CD1 3.55Å; Y38-F181 AromaticContact CZ-CE1 3.11Å; Y38-F181 AromaticContact CZ-CZ 3.81Å; Y38-F181 WeakPolarHBondContact OH-CE1 3.32Å; T55-F181 HydrophobicContact CG2-CZ 4.33Å; N76-F181 HydrophobicContact CB-CB 4.43Å; N76-F181 HydrophobicContact CB-CD1 3.53Å; N76-F181 HydrophobicContact CB-CD2 3.98Å; N76-F181 HydrophobicContact CB-CE1 3.58Å; N76-F181 HydrophobicContact CB-CE2 4.07Å; N76-F181 HydrophobicContact CB-CG 3.72Å; N76-F181 HydrophobicContact CB-CZ 3.87Å; Y174-F181 AromaticContact CD1-CE2 3.66Å; Y174-F181 HydrophobicContact CD1-CE2 3.66Å; Y174-F181 HydrophobicContact CD1-CZ 4.27Å; Y174-F181 HydrophobicContact CD2-CD2 4.15Å; Y174-F181 AromaticContact CD2-CE2 3.62Å; Y174-F181 HydrophobicContact CD2-CE2 3.62Å; Y174-F181 AromaticContact CE1-CE2 3.64Å; Y174-F181 HydrophobicContact CE1-CE2 3.64Å; Y174-F181 AromaticContact CE1-CZ 3.91Å; Y174-F181 HydrophobicContact CE1-CZ 3.91Å; Y174-F181 HydrophobicContact CE2-CD2 4.25Å; Y174-F181 AromaticContact CE2-CE2 3.54Å; Y174-F181 HydrophobicContact CE2-CE2 3.54Å; Y174-F181 HydrophobicContact CE2-CZ 4.33Å; Y174-F181 HydrophobicContact CG-CD2 4.42Å; Y174-F181 AromaticContact CG-CE2 3.7Å; Y174-F181 HydrophobicContact CG-CE2 3.7Å; Y174-F181 AromaticContact CZ-CE2 3.55Å; Y174-F181 AromaticContact CZ-CZ 3.92Å; I179-F181 HydrophobicContact CG2-CE2 3.99Å; I179-F181 HydrophobicContact CG2-CZ 4.18Å; F181-Y184 HydrophobicContact CB-CE2 4.16Å; F181-Y184 HydrophobicContact CD2-CE1 4.2Å; F181-Y184 AromaticContact CD2-CZ 3.92Å
182T97.3Very high94.3Very high82 Ų8250.8 Ų50.850%0.50325%0.245SC..SBendtrans-79.9-34.6171.9-48.60000110.9I73 G74I73-T182 HydrophobicContact CB-CG2 4.49Å; I73-T182 HydrophobicContact CG2-CG2 3.97Å; G74-T182 PolarHBondContact N-OG1 3.01Å; G74-T182 WeakPolarHBondContact O-CA 3.23Å; G74-T182 WeakPolarHBondContact O-CB 3.13Å; G74-T182 PolarHBondContact O-N 3.04Å
183S96.5Very high94.5Very high20 Ų2053.2 Ų53.214%0.1425%0.249CC..EExtended strand (participates in β ladder)trans-145.7143.1-178.4-166.80000111G74 I75 N76G74-S183 PolarHBondContact O-N 3.03Å; G74-S183 VanDerWaalsContact O-N 3.13Å; I75-S183 WeakPolarHBondContact CA-O 3.41Å; N76-S183 PolarHBondContact N-O 2.83Å
184Y96.2Very high94.7Very high69 Ų6953 Ų5327%0.27125%0.248SC..EExtended strand (participates in β ladder)trans-106.1124166.4-71.7-92.6000107.7N76 E171 Y174 F181N76-Y184 HydrophobicContact CB-CD1 3.9Å; N76-Y184 HydrophobicContact CB-CE1 4.03Å; N76-Y184 WeakPolarHBondContact ND2-CE1 3.44Å; E171-Y184 PolarHBondContact OE2-OH 3.46Å; Y174-Y184 HydrophobicContact CE2-CE1 4.38Å; F181-Y184 HydrophobicContact CB-CE2 4.16Å; F181-Y184 HydrophobicContact CD2-CE1 4.2Å; F181-Y184 AromaticContact CD2-CZ 3.92Å
185E96.6Very high94.7Very high8 Ų857.7 Ų57.74%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-124.2160.3178.6-67.3-178.7177.500108.9I75 N76 Y77 I78 Y190 R254I75-E185 HydrophobicContact CG2-CB 4.05Å; I75-E185 HydrophobicContact CG2-CG 3.89Å; N76-E185 PolarHBondContact O-N 2.97Å; Y77-E185 CarbonylContact C-O 3.55Å; Y77-E185 WeakPolarHBondContact CA-O 3.1Å; Y77-E185 HydrophobicContact CD2-CB 3.84Å; I78-E185 PolarHBondContact N-O 2.88Å; E185-Y190 HydrophobicContact CB-CE2 4.44Å; E185-Y190 VanDerWaalsContact CD-OH 3.27Å; E185-Y190 PolarHBondContact OE2-OH 3.32Å; E185-Y190 VanDerWaalsContact OE2-OH 3.11Å; E185-R254 IonicContact OE2-CZ 2.83Å; E185-R254 VanDerWaalsContact OE2-CZ 3.23Å; E185-R254 IonicContact OE2-NE 2.93Å; E185-R254 PolarHBondContact OE2-NE 2.72Å; E185-R254 IonicContact OE2-NH2 3.33Å; E185-R254 PolarHBondContact OE2-NH2 3.25Å
186Y95.1Very high94.9Very high41 Ų4155.1 Ų55.116%0.16126%0.262CS..EExtended strand (participates in β ladder)trans-135.6139.7-170.2-57-93000110.6I78 D80 R163 S188 D189 Y190I78-Y186 HydrophobicContact CB-CD1 3.79Å; I78-Y186 HydrophobicContact CB-CE1 4.14Å; I78-Y186 HydrophobicContact CG1-CD1 4.26Å; I78-Y186 HydrophobicContact CG1-CE1 4.13Å; I78-Y186 HydrophobicContact CG2-CD1 4.23Å; D80-Y186 WeakPolarHBondContact OD2-CB 3.47Å; R163-Y186 HydrophobicContact CG-CD1 4.49Å; R163-Y186 HydrophobicContact CG-CE1 4.18Å; R163-Y186 VanDerWaalsContact CZ-CE1 3.5Å; R163-Y186 VanDerWaalsContact NH2-CZ 3.34Å; Y186-S188 PolarHBondContact O-N 2.85Å; Y186-D189 WeakPolarHBondContact CD2-OD2 3.47Å; Y186-D189 PolarHBondContact N-OD2 2.92Å; Y186-D189 WeakPolarHBondContact O-CB 3.37Å; Y186-D189 PolarHBondContact O-N 3.12Å; Y186-Y190 VanDerWaalsContact O-CD2 3.28Å; Y186-Y190 WeakPolarHBondContact O-CD2 2.99Å
187E93.3Very high95.1Very high13 Ų1353.8 Ų53.86%0.06126%0.258CS..G310 helixtrans-55-35.7177.7-82.2-165.9-126.600112.3Y77 I78 G79 D80 W81 D189 Y190 Y243 R246Y77-E187 HydrophobicContact CE1-CG 3.75Å; Y77-E187 HydrophobicContact CE2-CG 4.31Å; I78-E187 PolarHBondContact O-N 3.25Å; G79-E187 VanDerWaalsContact CA-OE1 3.25Å; G79-E187 WeakPolarHBondContact CA-OE1 3.43Å; D80-E187 PolarHBondContact OD1-N 3.24Å; D80-E187 VanDerWaalsContact OD1-N 3.13Å; W81-E187 HydrophobicContact CB-CB 3.83Å; E187-D189 PolarHBondContact O-N 3.42Å; E187-Y190 PolarHBondContact O-N 2.88Å; E187-Y243 WeakPolarHBondContact OE1-CE1 3.47Å; E187-Y243 WeakPolarHBondContact OE2-CD1 3.46Å; E187-Y243 WeakPolarHBondContact OE2-CE1 3.46Å; E187-R246 IonicContact OE2-CZ 3.98Å; E187-R246 IonicContact OE2-NE 2.69Å; E187-R246 PolarHBondContact OE2-NE 3.4Å; E187-R246 IonicContact OE2-NH2 3.28Å; E187-R246 PolarHBondContact OE2-NH2 2.81Å
188S92.6Very high95.2Very high20 Ų2053.6 Ų53.614%0.1426%0.257CS..G310 helixtrans-55.1-33176.466.40000113.5D80 R163 Y186 Y190D80-S188 WeakPolarHBondContact OD1-CB 3.39Å; D80-S188 PolarHBondContact OD1-N 3Å; D80-S188 PolarHBondContact OD1-OG 3.3Å; D80-S188 PolarHBondContact OD2-OG 3.27Å; R163-S188 PolarHBondContact NH1-OG 3.28Å; R163-S188 VanDerWaalsContact NH1-OG 3.07Å; Y186-S188 PolarHBondContact O-N 2.85Å; S188-Y190 PolarHBondContact O-N 3.31Å
189D93.2Very high95.4Very high85 Ų8552.8 Ų52.846%0.45525%0.253SS..G310 helixtrans-71.8-12.8-173.1-57.4-14.6000112.2Y186 E187Y186-D189 WeakPolarHBondContact CD2-OD2 3.47Å; Y186-D189 PolarHBondContact N-OD2 2.92Å; Y186-D189 WeakPolarHBondContact O-CB 3.37Å; Y186-D189 PolarHBondContact O-N 3.12Å; E187-D189 PolarHBondContact O-N 3.42Å
190Y95.2Very high95.4Very high17 Ų1756.1 Ų56.17%0.06727%0.269CS..G310 helixtrans-114.72.4-173.8-59.4-78.1000114Y77 E185 Y186 E187 S188 K193 A194 A250Y77-Y190 HydrophobicContact CD2-CE2 4.32Å; Y77-Y190 AromaticContact CE2-CD2 3.56Å; Y77-Y190 HydrophobicContact CE2-CD2 3.56Å; Y77-Y190 AromaticContact CE2-CE2 3.5Å; Y77-Y190 HydrophobicContact CE2-CE2 3.5Å; Y77-Y190 AromaticContact CZ-CD2 3.94Å; Y77-Y190 WeakPolarHBondContact OH-CD2 3.48Å; E185-Y190 HydrophobicContact CB-CE2 4.44Å; E185-Y190 VanDerWaalsContact CD-OH 3.27Å; E185-Y190 PolarHBondContact OE2-OH 3.32Å; E185-Y190 VanDerWaalsContact OE2-OH 3.11Å; Y186-Y190 VanDerWaalsContact O-CD2 3.28Å; Y186-Y190 WeakPolarHBondContact O-CD2 2.99Å; E187-Y190 PolarHBondContact O-N 2.88Å; S188-Y190 PolarHBondContact O-N 3.31Å; Y190-K193 HydrophobicContact CD1-CD 4.38Å; Y190-K193 PolarHBondContact O-N 3Å; Y190-A194 WeakPolarHBondContact O-CB 3.35Å; Y190-A194 PolarHBondContact O-N 2.94Å; Y190-A250 VanDerWaalsContact CD1-CA 3.46Å; Y190-A250 HydrophobicContact CD1-CB 3.85Å; Y190-A250 HydrophobicContact CD2-CB 3.95Å; Y190-A250 VanDerWaalsContact CE1-CA 3.44Å; Y190-A250 HydrophobicContact CE1-CB 3.85Å; Y190-A250 HydrophobicContact CE2-CB 3.93Å; Y190-A250 HydrophobicContact CG-CB 3.88Å
191V92.2Very high95.5Very high24 Ų2446.5 Ų46.515%0.14523%0.233CC..Hα-helixtrans-61.9-51.4-176.8178.20000111.7W81 A194 Y195W81-V191 HydrophobicContact CD2-CG2 3.79Å; W81-V191 HydrophobicContact CG-CG2 3.78Å; W81-V191 HydrophobicContact CZ2-CG1 4.4Å; W81-V191 HydrophobicContact CZ2-CG2 4.24Å; V191-A194 PolarHBondContact O-N 3.41Å; V191-Y195 PolarHBondContact O-N 2.99Å
192E93.5Very high95.4Very high158 Ų15847.3 Ų47.374%0.73824%0.238SC*.Hα-helixtrans-66.4-40.9-179.9-65.9-176.7170.200112.3A194 Y195 S196E192-A194 VanDerWaalsContact C-N 3.34Å; E192-Y195 PolarHBondContact O-N 2.88Å; E192-S196 WeakPolarHBondContact O-CB 3.27Å; E192-S196 PolarHBondContact O-N 2.93Å; E192-S196 PolarHBondContact O-OG 3.43Å; E192-S196 VanDerWaalsContact O-OG 3.05Å
193K95.7Very high95.3Very high104 Ų10447.4 Ų47.445%0.45225%0.247SC..Hα-helixtrans-63.9-39.7176-70.5-177.1172.1-175.60111.5Y190 S196 L197 A249 S253Y190-K193 HydrophobicContact CD1-CD 4.38Å; Y190-K193 PolarHBondContact O-N 3Å; K193-S196 PolarHBondContact O-N 3.06Å; K193-L197 WeakPolarHBondContact O-CB 3.25Å; K193-L197 PolarHBondContact O-N 3Å; K193-A249 HydrophobicContact CB-CB 3.94Å; K193-S253 WeakPolarHBondContact CD-OG 3.29Å; K193-S253 PolarHBondContact NZ-OG 3.07Å
194A96.3Very high95.2Very high0 Ų051.6 Ų51.60%027%0.268CS..Hα-helixtrans-64.3-41.617600000112.1Y190 V191 E192 L197 A198 T241 T245 R246 A249Y190-A194 WeakPolarHBondContact O-CB 3.35Å; Y190-A194 PolarHBondContact O-N 2.94Å; V191-A194 PolarHBondContact O-N 3.41Å; E192-A194 VanDerWaalsContact C-N 3.34Å; A194-L197 PolarHBondContact O-N 2.87Å; A194-A198 PolarHBondContact O-N 3.06Å; A194-T241 HydrophobicContact CB-CG2 3.91Å; A194-T245 HydrophobicContact CB-CG2 3.84Å; A194-T245 WeakPolarHBondContact CB-O 3.42Å; A194-T245 VanDerWaalsContact O-CG2 3.23Å; A194-T245 WeakPolarHBondContact O-CG2 3.28Å; A194-R246 HydrophobicContact CB-CG 3.96Å; A194-A249 HydrophobicContact CB-CB 4.13Å
195Y95.3Very high95.1Very high98 Ų9851.4 Ų51.438%0.38429%0.287SS..Hα-helixtrans-64.1-48.2175.1-178.1-107.6000111.7V191 E192 L197 A198 N199 L235 N239V191-Y195 PolarHBondContact O-N 2.99Å; E192-Y195 PolarHBondContact O-N 2.88Å; Y195-L197 VanDerWaalsContact C-N 3.32Å; Y195-L197 PolarHBondContact O-N 3.02Å; Y195-A198 PolarHBondContact O-N 2.9Å; Y195-N199 WeakPolarHBondContact CE1-ND2 3.38Å; Y195-N199 PolarHBondContact O-N 3.41Å; Y195-N199 VanDerWaalsContact O-N 3.11Å; Y195-N199 PolarHBondContact O-ND2 2.82Å; Y195-L235 HydrophobicContact CD2-CD1 3.98Å; Y195-L235 HydrophobicContact CD2-CD2 4.22Å; Y195-L235 HydrophobicContact CE2-CD1 4.04Å; Y195-N239 HydrophobicContact CE2-CB 3.98Å
196S96.4Very high94.9Very high73 Ų7354.3 Ų54.351%0.5130%0.303SS..Hα-helixtrans-59.6-41.9176.5-62.40000112.3E192 K193 N199 M200E192-S196 WeakPolarHBondContact O-CB 3.27Å; E192-S196 PolarHBondContact O-N 2.93Å; E192-S196 PolarHBondContact O-OG 3.43Å; E192-S196 VanDerWaalsContact O-OG 3.05Å; K193-S196 PolarHBondContact O-N 3.06Å; S196-N199 PolarHBondContact O-N 2.94Å; S196-M200 WeakPolarHBondContact O-CB 3.12Å; S196-M200 PolarHBondContact O-N 3.05Å
197L96.5Very high95Very high14 Ų1452.7 Ų52.77%0.07330%0.298CS..Hα-helixtrans-57.9-50.6175.6169.266.4000111.7K193 A194 Y195 N199 M200 L201 T245 I248 A249 I252 M285K193-L197 WeakPolarHBondContact O-CB 3.25Å; K193-L197 PolarHBondContact O-N 3Å; A194-L197 PolarHBondContact O-N 2.87Å; Y195-L197 VanDerWaalsContact C-N 3.32Å; Y195-L197 PolarHBondContact O-N 3.02Å; L197-N199 VanDerWaalsContact C-N 3.32Å; L197-N199 PolarHBondContact O-N 2.81Å; L197-M200 HydrophobicContact CD1-CE 3.71Å; L197-M200 PolarHBondContact O-N 3.02Å; L197-L201 HydrophobicContact CD1-CD1 4.23Å; L197-L201 HydrophobicContact CD1-CG 4.36Å; L197-L201 HydrophobicContact CG-CD1 4.29Å; L197-L201 WeakPolarHBondContact O-CG 3.22Å; L197-L201 PolarHBondContact O-N 2.97Å; L197-T245 HydrophobicContact CD2-CG2 4.35Å; L197-I248 HydrophobicContact CD2-CB 3.79Å; L197-I248 HydrophobicContact CD2-CG2 3.45Å; L197-I248 VanDerWaalsContact CD2-CG2 3.45Å; L197-A249 HydrophobicContact CD2-CB 4.32Å; L197-I252 HydrophobicContact CD1-CD1 4.04Å; L197-I252 HydrophobicContact CD2-CD1 4.5Å; L197-M285 HydrophobicContact CD1-CE 3.41Å; L197-M285 VanDerWaalsContact CD1-CE 3.41Å; L197-M285 HydrophobicContact CD1-SD 3.74Å
198A96.4Very high95.1Very high0 Ų056.3 Ų56.30%031%0.311CS..Hα-helixtrans-63.2-38.2-179.400000112.4A194 Y195 L201 L202 L234 L235 T245A194-A198 PolarHBondContact O-N 3.06Å; Y195-A198 PolarHBondContact O-N 2.9Å; A198-L201 PolarHBondContact O-N 3.23Å; A198-L202 PolarHBondContact O-N 2.87Å; A198-L234 HydrophobicContact CB-CB 4.25Å; A198-L235 HydrophobicContact CB-CD1 3.63Å; A198-L235 HydrophobicContact CB-CD2 3.96Å; A198-L235 HydrophobicContact CB-CG 3.57Å; A198-T245 HydrophobicContact CB-CG2 4.22Å
199N96Very high95.2Very high55 Ų5559.7 Ų59.729%0.29432%0.324SS..Hα-helixtrans-68.2-37175.2-72.5-31.7000112.6Y195 S196 L197 L202 A203Y195-N199 WeakPolarHBondContact CE1-ND2 3.38Å; Y195-N199 PolarHBondContact O-N 3.41Å; Y195-N199 VanDerWaalsContact O-N 3.11Å; Y195-N199 PolarHBondContact O-ND2 2.82Å; S196-N199 PolarHBondContact O-N 2.94Å; L197-N199 VanDerWaalsContact C-N 3.32Å; L197-N199 PolarHBondContact O-N 2.81Å; N199-L202 WeakPolarHBondContact O-CB 3.25Å; N199-L202 PolarHBondContact O-N 3.37Å; N199-A203 WeakPolarHBondContact O-CB 3.26Å; N199-A203 PolarHBondContact O-N 2.92Å
200M96.8Very high95.3Very high71 Ų7156.9 Ų56.935%0.3531%0.311SS..Hα-helixtrans-64.2-42.5173.2174.5-85.2-73.600111.4S196 L197 L202 A203 N204 M285S196-M200 WeakPolarHBondContact O-CB 3.12Å; S196-M200 PolarHBondContact O-N 3.05Å; L197-M200 HydrophobicContact CD1-CE 3.71Å; L197-M200 PolarHBondContact O-N 3.02Å; M200-L202 VanDerWaalsContact C-N 3.32Å; M200-L202 PolarHBondContact O-N 3.1Å; M200-A203 PolarHBondContact O-N 3.16Å; M200-N204 WeakPolarHBondContact O-CB 3.3Å; M200-N204 PolarHBondContact O-N 3.04Å; M200-N204 PolarHBondContact O-ND2 3.4Å; M200-N204 PolarHBondContact SD-ND2 3.41Å; M200-M285 HydrophobicContact CE-CE 3.5Å; M200-M285 VanDerWaalsContact CE-CE 3.5Å
201L96.6Very high95.1Very high0 Ų066.6 Ų66.60%035%0.354CS..Hα-helixtrans-61.9-38.9175.2-70.2172.9000112.2L197 A198 G205 L206 A207 M217 L234 V281 M285L197-L201 HydrophobicContact CD1-CD1 4.23Å; L197-L201 HydrophobicContact CD1-CG 4.36Å; L197-L201 HydrophobicContact CG-CD1 4.29Å; L197-L201 WeakPolarHBondContact O-CG 3.22Å; L197-L201 PolarHBondContact O-N 2.97Å; A198-L201 PolarHBondContact O-N 3.23Å; L201-G205 PolarHBondContact O-N 3.4Å; L201-L206 HydrophobicContact CD2-CB 4.02Å; L201-L206 HydrophobicContact CD2-CD1 3.81Å; L201-L206 PolarHBondContact O-N 2.98Å; L201-A207 HydrophobicContact CB-CB 3.88Å; L201-A207 PolarHBondContact O-N 3.11Å; L201-M217 HydrophobicContact CD1-CE 4.02Å; L201-M217 HydrophobicContact CD2-CE 3.94Å; L201-M217 HydrophobicContact CG-CE 4.45Å; L201-L234 HydrophobicContact CD1-CD1 3.66Å; L201-V281 HydrophobicContact CD1-CG1 4.08Å; L201-M285 HydrophobicContact CD2-CG 3.76Å; L201-M285 HydrophobicContact CD2-SD 4.09Å
202L95.2Very high95.1Very high41 Ų4170.1 Ų70.122%0.21537%0.372CS..Hα-helixtrans-63.7-48.1172.6-81.5167.6000111.8A198 N199 M200 N204 G205 A207 K209 T215A198-L202 PolarHBondContact O-N 2.87Å; N199-L202 WeakPolarHBondContact O-CB 3.25Å; N199-L202 PolarHBondContact O-N 3.37Å; M200-L202 VanDerWaalsContact C-N 3.32Å; M200-L202 PolarHBondContact O-N 3.1Å; L202-N204 VanDerWaalsContact C-N 3.27Å; L202-N204 PolarHBondContact O-N 2.97Å; L202-G205 PolarHBondContact O-N 2.89Å; L202-G205 VanDerWaalsContact O-N 3.12Å; L202-A207 HydrophobicContact CD2-CB 4.13Å; L202-A207 HydrophobicContact CG-CB 4.13Å; L202-K209 HydrophobicContact CD1-CD 4.49Å; L202-K209 HydrophobicContact CD2-CG 4.18Å; L202-T215 HydrophobicContact CD1-CG2 3.54Å; L202-T215 HydrophobicContact CD2-CG2 3.95Å; L202-T215 HydrophobicContact CG-CG2 3.6Å
203A95.6Very high95.1Very high85 Ų8563.9 Ų63.970%0.70235%0.349SS*.Hα-helixtrans-63-33.3-17900000112.7N199 M200 G205N199-A203 WeakPolarHBondContact O-CB 3.26Å; N199-A203 PolarHBondContact O-N 2.92Å; M200-A203 PolarHBondContact O-N 3.16Å; A203-G205 VanDerWaalsContact C-N 3.3Å; A203-G205 PolarHBondContact O-N 3.15Å
204N94.9Very high95Very high108 Ų10860.3 Ų60.358%0.57834%0.335SS*.THydrogen-bonded Turntrans-85.23.3178.2-69.3-19.4000113.8M200 L202 L206M200-N204 WeakPolarHBondContact O-CB 3.3Å; M200-N204 PolarHBondContact O-N 3.04Å; M200-N204 PolarHBondContact O-ND2 3.4Å; M200-N204 PolarHBondContact SD-ND2 3.41Å; L202-N204 VanDerWaalsContact C-N 3.27Å; L202-N204 PolarHBondContact O-N 2.97Å; N204-L206 HydrophobicContact CB-CG 4.44Å; N204-L206 PolarHBondContact O-N 3.18Å
205G93.9Very high95Very high65 Ų6560.3 Ų60.367%0.6734%0.335SS*.THydrogen-bonded Turntrans69.513.2-179.600000114.8L201 L202 A203L201-G205 PolarHBondContact O-N 3.4Å; L202-G205 PolarHBondContact O-N 2.89Å; L202-G205 VanDerWaalsContact O-N 3.12Å; A203-G205 VanDerWaalsContact C-N 3.3Å; A203-G205 PolarHBondContact O-N 3.15Å
206L93.2Very high95Very high69 Ų6955.9 Ų55.936%0.36132%0.318SS..SBendtrans-84.5-23.3175.4-65.8176.9000112.1L201 N204 M217L201-L206 HydrophobicContact CD2-CB 4.02Å; L201-L206 HydrophobicContact CD2-CD1 3.81Å; L201-L206 PolarHBondContact O-N 2.98Å; N204-L206 HydrophobicContact CB-CG 4.44Å; N204-L206 PolarHBondContact O-N 3.18Å; L206-M217 HydrophobicContact CB-CE 4.07Å; L206-M217 WeakPolarHBondContact O-CG 3.47Å
207A95.7Very high94.9Very high7 Ų752.6 Ų52.66%0.05830%0.295CS..SBendtrans-120.8162.4172.200000110.5L201 L202 T215 C216 L234L201-A207 HydrophobicContact CB-CB 3.88Å; L201-A207 PolarHBondContact O-N 3.11Å; L202-A207 HydrophobicContact CD2-CB 4.13Å; L202-A207 HydrophobicContact CG-CB 4.13Å; A207-T215 HydrophobicContact CB-CG2 4.16Å; A207-C216 CarbonylContact C-O 3.47Å; A207-C216 WeakPolarHBondContact CA-O 3.3Å; A207-C216 VanDerWaalsContact CB-O 3.29Å; A207-C216 WeakPolarHBondContact CB-O 3.43Å; A207-L234 HydrophobicContact CB-CD1 4.06Å
208Y95.4Very high94.6Very high88 Ų8853.4 Ų53.435%0.34530%0.302SS..EExtended strand (participates in β ladder)trans-136.8159.6177.770.2-86.4000111C216 N231Y208-C216 HydrophobicContact CD1-CB 4.46Å; Y208-C216 WeakPolarHBondContact CD1-O 3.47Å; Y208-C216 HydrophobicContact CE1-CB 3.92Å; Y208-C216 HydrophobicContact CE2-CB 4.26Å; Y208-C216 PolarHBondContact N-O 2.89Å; Y208-C216 PolarHBondContact O-N 2.92Å; Y208-N231 PolarHBondContact OH-ND2 2.97Å; Y208-N231 PolarHBondContact OH-OD1 2.95Å
209K96Very high94Very high92 Ų9253.4 Ų53.440%0.430%0.302SS..EExtended strand (participates in β ladder)trans-88.7123.2169.8-76.4-66-164.1176.30109.4L202 G213 L214 T215 N239L202-K209 HydrophobicContact CD1-CD 4.49Å; L202-K209 HydrophobicContact CD2-CG 4.18Å; K209-G213 PolarHBondContact NZ-O 3.4Å; K209-G213 VanDerWaalsContact NZ-O 3.13Å; K209-L214 CarbonylContact C-O 3.58Å; K209-L214 VanDerWaalsContact CA-O 3.32Å; K209-L214 WeakPolarHBondContact CA-O 3.34Å; K209-T215 VanDerWaalsContact CE-OG1 3.26Å; K209-T215 WeakPolarHBondContact CE-OG1 3.37Å; K209-T215 PolarHBondContact NZ-OG1 3.32Å; K209-N239 PolarHBondContact NZ-OD1 3.29Å
210S94.3Very high92.9Very high26 Ų2656.5 Ų56.518%0.18232%0.315CS..  trans-72.9168.2172.960.90000111.2D212 G213 L214S210-D212 WeakPolarHBondContact CB-OD1 3.31Å; S210-D212 PolarHBondContact O-N 2.82Å; S210-D212 PolarHBondContact OG-OD1 2.9Å; S210-G213 PolarHBondContact O-N 3.01Å; S210-L214 PolarHBondContact N-O 3.36Å; S210-L214 WeakPolarHBondContact OG-CA 3.45Å; S210-L214 VanDerWaalsContact OG-CB 3.22Å; S210-L214 WeakPolarHBondContact OG-CB 3.49Å; S210-L214 PolarHBondContact OG-N 3.22Å; S210-L214 PolarHBondContact OG-O 2.86Å
211F92.2Very high91.1Very high220 Ų22060.4 Ų60.497%0.96534%0.337SS*.THydrogen-bonded Turntrans-59.2-33.6-179.9-179.6-96.2000113.4G213F211-G213 VanDerWaalsContact C-N 3.28Å; F211-G213 PolarHBondContact O-N 3.16Å
212D91.4Very high89.6Confident99 Ų9961.8 Ų61.853%0.52934%0.344SS..THydrogen-bonded Turntrans-84.96176.361.1-23.2000113.8S210 L214 S237S210-D212 WeakPolarHBondContact CB-OD1 3.31Å; S210-D212 PolarHBondContact O-N 2.82Å; S210-D212 PolarHBondContact OG-OD1 2.9Å; D212-L214 VanDerWaalsContact OD2-CD1 3.23Å; D212-L214 WeakPolarHBondContact OD2-CD1 3.47Å; D212-S237 WeakPolarHBondContact O-CB 3.4Å
213G92.7Very high87.9Confident26 Ų2668.2 Ų68.227%0.26838%0.379SS..SBendtrans87.91.117300000115.7K209 S210 F211K209-G213 PolarHBondContact NZ-O 3.4Å; K209-G213 VanDerWaalsContact NZ-O 3.13Å; S210-G213 PolarHBondContact O-N 3.01Å; F211-G213 VanDerWaalsContact C-N 3.28Å; F211-G213 PolarHBondContact O-N 3.16Å
214L95.1Very high86.4Confident30 Ų3065.1 Ų65.116%0.15735%0.35CS..  trans-64.8148173.8-50.3172000110.3K209 S210 D212 I233K209-L214 CarbonylContact C-O 3.58Å; K209-L214 VanDerWaalsContact CA-O 3.32Å; K209-L214 WeakPolarHBondContact CA-O 3.34Å; S210-L214 PolarHBondContact N-O 3.36Å; S210-L214 WeakPolarHBondContact OG-CA 3.45Å; S210-L214 VanDerWaalsContact OG-CB 3.22Å; S210-L214 WeakPolarHBondContact OG-CB 3.49Å; S210-L214 PolarHBondContact OG-N 3.22Å; S210-L214 PolarHBondContact OG-O 2.86Å; D212-L214 VanDerWaalsContact OD2-CD1 3.23Å; D212-L214 WeakPolarHBondContact OD2-CD1 3.47Å; L214-I233 HydrophobicContact CB-CG2 4.24Å; L214-I233 HydrophobicContact CD1-CD1 4.07Å; L214-I233 HydrophobicContact CD1-CG1 4.42Å; L214-I233 HydrophobicContact CD1-CG2 4.42Å; L214-I233 HydrophobicContact CD2-CG2 4.4Å
215T96.2Very high84.7Confident0 Ų066.1 Ų66.10%036%0.36CS..EExtended strand (participates in β ladder)trans-93118.8167.2-60.50000108.4L202 A207 K209 L234 L235L202-T215 HydrophobicContact CD1-CG2 3.54Å; L202-T215 HydrophobicContact CD2-CG2 3.95Å; L202-T215 HydrophobicContact CG-CG2 3.6Å; A207-T215 HydrophobicContact CB-CG2 4.16Å; K209-T215 VanDerWaalsContact CE-OG1 3.26Å; K209-T215 WeakPolarHBondContact CE-OG1 3.37Å; K209-T215 PolarHBondContact NZ-OG1 3.32Å; T215-L234 HydrophobicContact CG2-CB 4.19Å; T215-L234 HydrophobicContact CG2-CD1 4.44Å; T215-L234 PolarHBondContact O-N 2.98Å; T215-L235 PolarHBondContact N-O 3.2Å; T215-L235 PolarHBondContact O-N 3.26Å
216C95.7Very high83.2Confident4 Ų469.3 Ų69.33%0.02736%0.362CS..EExtended strand (participates in β ladder)trans-127.2153.8-173.6-64.90000112.4A207 Y208 N231 I232A207-C216 CarbonylContact C-O 3.47Å; A207-C216 WeakPolarHBondContact CA-O 3.3Å; A207-C216 VanDerWaalsContact CB-O 3.29Å; A207-C216 WeakPolarHBondContact CB-O 3.43Å; Y208-C216 HydrophobicContact CD1-CB 4.46Å; Y208-C216 WeakPolarHBondContact CD1-O 3.47Å; Y208-C216 HydrophobicContact CE1-CB 3.92Å; Y208-C216 HydrophobicContact CE2-CB 4.26Å; Y208-C216 PolarHBondContact N-O 2.89Å; Y208-C216 PolarHBondContact O-N 2.92Å; C216-N231 HydrophobicContact CB-CB 4.41Å; C216-I232 CarbonylContact C-O 3.47Å; C216-I232 WeakPolarHBondContact CA-O 3.46Å
217M94Very high82.1Confident4 Ų466.2 Ų66.22%0.0235%0.345CS..EExtended strand (participates in β ladder)trans-117.5131165.8177178.7-66.100109.1L201 L206 I232 L234 Y280 V281 K284L201-M217 HydrophobicContact CD1-CE 4.02Å; L201-M217 HydrophobicContact CD2-CE 3.94Å; L201-M217 HydrophobicContact CG-CE 4.45Å; L206-M217 HydrophobicContact CB-CE 4.07Å; L206-M217 WeakPolarHBondContact O-CG 3.47Å; M217-I232 HydrophobicContact CB-CB 4.44Å; M217-I232 PolarHBondContact N-O 2.72Å; M217-I232 PolarHBondContact O-N 3.17Å; M217-L234 HydrophobicContact CB-CD1 4.32Å; M217-Y280 HydrophobicContact CG-CE1 4.12Å; M217-Y280 HydrophobicContact SD-CD1 4.08Å; M217-Y280 HydrophobicContact SD-CE1 3.8Å; M217-V281 HydrophobicContact CE-CG1 4.03Å; M217-V281 HydrophobicContact CE-CG2 4.48Å; M217-V281 HydrophobicContact SD-CB 4.34Å; M217-V281 HydrophobicContact SD-CG1 4.33Å; M217-V281 HydrophobicContact SD-CG2 3.85Å; M217-K284 HydrophobicContact SD-CB 4.31Å; M217-K284 HydrophobicContact SD-CG 4.43Å
218S89.5Confident80.8Confident32 Ų3267.6 Ų67.622%0.22435%0.354CS..EExtended strand (participates in β ladder)trans-83.9137.7178.4-1730000111.2E220 Y280S218-E220 PolarHBondContact O-N 3.36Å; S218-E220 WeakPolarHBondContact OG-CG 3.34Å; S218-Y280 PolarHBondContact O-OH 3.06Å
219T84.2Confident79.7Confident0 Ų069.4 Ų69.40%037%0.37CS..  trans-91.789.7169.260.40000110I222 F227 N229 Q230 I232 Y280T219-I222 HydrophobicContact CG2-CD1 4.2Å; T219-F227 WeakPolarHBondContact CB-O 3.08Å; T219-F227 HydrophobicContact CG2-CD1 4.19Å; T219-F227 HydrophobicContact CG2-CE1 3.55Å; T219-F227 HydrophobicContact CG2-CZ 3.87Å; T219-F227 PolarHBondContact OG1-O 3.09Å; T219-N229 WeakPolarHBondContact O-CA 3.47Å; T219-N229 PolarHBondContact O-N 3.26Å; T219-N229 PolarHBondContact OG1-N 2.66Å; T219-Q230 HydrophobicContact CG2-CB 4.29Å; T219-Q230 PolarHBondContact N-O 3.45Å; T219-Q230 WeakPolarHBondContact OG1-CA 3.39Å; T219-Q230 PolarHBondContact OG1-N 3.08Å; T219-Q230 PolarHBondContact OG1-O 3.27Å; T219-I232 HydrophobicContact CG2-CD1 3.61Å; T219-I232 HydrophobicContact CG2-CG1 3.96Å; T219-Y280 WeakPolarHBondContact CA-OH 3.38Å; T219-Y280 HydrophobicContact CG2-CD1 3.95Å; T219-Y280 HydrophobicContact CG2-CE1 3.77Å; T219-Y280 HydrophobicContact CG2-CG 4.35Å
220E71.7Confident79.1Confident119 Ų11967 Ų6756%0.55636%0.361SS*.  trans-96.7140.7179.7-63.9-177.6-175.600111.8S218 I222S218-E220 PolarHBondContact O-N 3.36Å; S218-E220 WeakPolarHBondContact OG-CG 3.34Å; E220-I222 PolarHBondContact O-N 2.9Å
221N59.7Low78.9Confident153 Ų15370 Ų7082%0.81837%0.374SS*.SBendtrans57.943.3170.9-58.6-42.8000115.2
222I65.8Low78.9Confident29 Ų2959.5 Ų59.515%0.14933%0.328CS..  trans-100.5130172.4-53.8172.8000108.4T219 E220 D224 F227 Y280 M294T219-I222 HydrophobicContact CG2-CD1 4.2Å; E220-I222 PolarHBondContact O-N 2.9Å; I222-D224 HydrophobicContact CG2-CB 4.14Å; I222-D224 PolarHBondContact O-N 3.49Å; I222-F227 HydrophobicContact CD1-CD1 3.45Å; I222-F227 VanDerWaalsContact CD1-CD1 3.45Å; I222-F227 HydrophobicContact CD1-CE1 3.62Å; I222-F227 HydrophobicContact CG2-CD1 4.41Å; I222-Y280 HydrophobicContact CD1-CD2 3.57Å; I222-Y280 HydrophobicContact CD1-CE2 3.32Å; I222-Y280 HydrophobicContact CG1-CE2 4.09Å; I222-M294 HydrophobicContact CG2-SD 4.24Å
223N59.7Low79.1Confident176 Ų17658 Ų5894%0.94132%0.32SS*.SBendtrans-71.314.8-179.9-70.5-16.3000114.4
224D62.8Low79.3Confident21 Ų2156.8 Ų56.811%0.11231%0.307CS..  trans-106.3109.8175.2-177.2-9.4000108.9I222 N226 F227 S228I222-D224 HydrophobicContact CG2-CB 4.14Å; I222-D224 PolarHBondContact O-N 3.49Å; D224-N226 PolarHBondContact O-N 2.96Å; D224-N226 VanDerWaalsContact O-N 3.13Å; D224-N226 WeakPolarHBondContact OD1-CB 3.18Å; D224-N226 PolarHBondContact OD1-N 3.34Å; D224-F227 HydrophobicContact CB-CB 4.05Å; D224-F227 CarbonylContact O-C 3.57Å; D224-F227 PolarHBondContact O-N 3.06Å; D224-S228 WeakPolarHBondContact O-CB 3.21Å; D224-S228 PolarHBondContact O-N 3.3Å
225V59.2Low79.3Confident128 Ų12855.4 Ų55.478%0.77630%0.3SS*.THydrogen-bonded Turntrans-55.5-32.6-179.4-175.80000111.5F227 S228V225-F227 VanDerWaalsContact C-N 3.35Å; V225-S228 PolarHBondContact O-OG 2.94Å
226N62.5Low79.2Confident132 Ų13258.5 Ų58.571%0.70631%0.313SS*.THydrogen-bonded Turntrans-78.8-20.4-178.6-62.2-53000113.2D224 Q230D224-N226 PolarHBondContact O-N 2.96Å; D224-N226 VanDerWaalsContact O-N 3.13Å; D224-N226 WeakPolarHBondContact OD1-CB 3.18Å; D224-N226 PolarHBondContact OD1-N 3.34Å; N226-Q230 PolarHBondContact O-NE2 3.49Å
227F70.1Confident79Confident4 Ų462 Ų622%0.01834%0.338CS..THydrogen-bonded Turntrans-114.9-12.6-174.9-162.8-102.9000113.3T219 I222 D224 V225 I232 L273 Q276 Q277 Y280 M294T219-F227 WeakPolarHBondContact CB-O 3.08Å; T219-F227 HydrophobicContact CG2-CD1 4.19Å; T219-F227 HydrophobicContact CG2-CE1 3.55Å; T219-F227 HydrophobicContact CG2-CZ 3.87Å; T219-F227 PolarHBondContact OG1-O 3.09Å; I222-F227 HydrophobicContact CD1-CD1 3.45Å; I222-F227 VanDerWaalsContact CD1-CD1 3.45Å; I222-F227 HydrophobicContact CD1-CE1 3.62Å; I222-F227 HydrophobicContact CG2-CD1 4.41Å; D224-F227 HydrophobicContact CB-CB 4.05Å; D224-F227 CarbonylContact O-C 3.57Å; D224-F227 PolarHBondContact O-N 3.06Å; V225-F227 VanDerWaalsContact C-N 3.35Å; F227-I232 HydrophobicContact CZ-CD1 4.11Å; F227-L273 HydrophobicContact CD2-CD1 3.86Å; F227-L273 HydrophobicContact CE2-CD1 4.04Å; F227-Q276 HydrophobicContact CD2-CB 4.12Å; F227-Q276 HydrophobicContact CE2-CB 3.83Å; F227-Q276 HydrophobicContact CZ-CB 4.47Å; F227-Q277 HydrophobicContact CE2-CB 4.42Å; F227-Q277 HydrophobicContact CE2-CG 3.59Å; F227-Q277 HydrophobicContact CZ-CB 4.5Å; F227-Q277 HydrophobicContact CZ-CG 4Å; F227-Y280 AromaticContact CE1-CD2 4Å; F227-Y280 HydrophobicContact CE1-CD2 4Å; F227-Y280 AromaticContact CE1-CG 3.86Å; F227-Y280 HydrophobicContact CE1-CG 3.86Å; F227-Y280 HydrophobicContact CZ-CG 4.24Å; F227-M294 HydrophobicContact CE1-CE 4.17Å
228S68.2Low78.7Confident36 Ų3666 Ų6625%0.25236%0.359SS..THydrogen-bonded Turntrans-66.6143.4176.169.60000112.1D224 V225 Q230D224-S228 WeakPolarHBondContact O-CB 3.21Å; D224-S228 PolarHBondContact O-N 3.3Å; V225-S228 PolarHBondContact O-OG 2.94Å; S228-Q230 VanDerWaalsContact C-N 3.26Å; S228-Q230 PolarHBondContact O-N 3.46Å
229N72.6Confident78.7Confident126 Ų12667.6 Ų67.667%0.67437%0.365SS*.THydrogen-bonded Turntrans58.326.2174.3-53.7-41000116.1T219T219-N229 WeakPolarHBondContact O-CA 3.47Å; T219-N229 PolarHBondContact O-N 3.26Å; T219-N229 PolarHBondContact OG1-N 2.66Å
230Q83.6Confident78.8Confident43 Ų4368.1 Ų68.120%0.20137%0.369CS..  trans-80149.2168.3-62.4-166.9200112.5T219 N226 S228T219-Q230 HydrophobicContact CG2-CB 4.29Å; T219-Q230 PolarHBondContact N-O 3.45Å; T219-Q230 WeakPolarHBondContact OG1-CA 3.39Å; T219-Q230 PolarHBondContact OG1-N 3.08Å; T219-Q230 PolarHBondContact OG1-O 3.27Å; N226-Q230 PolarHBondContact O-NE2 3.49Å; S228-Q230 VanDerWaalsContact C-N 3.26Å; S228-Q230 PolarHBondContact O-N 3.46Å
231N89.5Confident79.7Confident88 Ų8863.2 Ų63.247%0.47135%0.347SS..EExtended strand (participates in β ladder)trans-101.3102.9167.2-70.1-32.3000109.3Y208 C216 I233Y208-N231 PolarHBondContact OH-ND2 2.97Å; Y208-N231 PolarHBondContact OH-OD1 2.95Å; C216-N231 HydrophobicContact CB-CB 4.41Å; N231-I233 PolarHBondContact O-N 3.18Å
232I93.8Very high81.3Confident0 Ų058.1 Ų58.10%032%0.32CS..EExtended strand (participates in β ladder)trans-76112.5176.9-60176.2000108.3C216 M217 T219 F227 L234 L244 Q277 Y280 V281C216-I232 CarbonylContact C-O 3.47Å; C216-I232 WeakPolarHBondContact CA-O 3.46Å; M217-I232 HydrophobicContact CB-CB 4.44Å; M217-I232 PolarHBondContact N-O 2.72Å; M217-I232 PolarHBondContact O-N 3.17Å; T219-I232 HydrophobicContact CG2-CD1 3.61Å; T219-I232 HydrophobicContact CG2-CG1 3.96Å; F227-I232 HydrophobicContact CZ-CD1 4.11Å; I232-L234 HydrophobicContact CG2-CD2 4.33Å; I232-L244 HydrophobicContact CG2-CD2 3.28Å; I232-Q277 HydrophobicContact CD1-CB 3.98Å; I232-Q277 HydrophobicContact CD1-CG 4.01Å; I232-Q277 HydrophobicContact CG1-CB 4.24Å; I232-Q277 HydrophobicContact CG1-CG 3.91Å; I232-Q277 HydrophobicContact CG2-CB 4.17Å; I232-Y280 HydrophobicContact CD1-CD1 3.55Å; I232-Y280 HydrophobicContact CD1-CE1 4.21Å; I232-Y280 HydrophobicContact CD1-CG 4.31Å; I232-V281 HydrophobicContact CD1-CG2 4.2Å; I232-V281 HydrophobicContact CG2-CG2 4.2Å
233I95.4Very high82.6Confident68 Ų6861.1 Ų61.135%0.34933%0.33SS..EExtended strand (participates in β ladder)trans-81.8121-178.4-49.1172.1000109.6L214 N231 L235 L242L214-I233 HydrophobicContact CB-CG2 4.24Å; L214-I233 HydrophobicContact CD1-CD1 4.07Å; L214-I233 HydrophobicContact CD1-CG1 4.42Å; L214-I233 HydrophobicContact CD1-CG2 4.42Å; L214-I233 HydrophobicContact CD2-CG2 4.4Å; N231-I233 PolarHBondContact O-N 3.18Å; I233-L235 WeakPolarHBondContact CG2-O 3.38Å; I233-L242 HydrophobicContact CB-CD1 3.83Å; I233-L242 HydrophobicContact CG2-CD1 3.42Å; I233-L242 VanDerWaalsContact CG2-CD1 3.42Å; I233-L242 WeakPolarHBondContact O-CD1 3.39Å
234L96.1Very high84.2Confident0 Ų053.1 Ų53.10%029%0.287CS..EExtended strand (participates in β ladder)trans-100.9-36.6179.1-59.8173.1000112.3A198 L201 A207 T215 M217 I232 T245 I248 V281A198-L234 HydrophobicContact CB-CB 4.25Å; L201-L234 HydrophobicContact CD1-CD1 3.66Å; A207-L234 HydrophobicContact CB-CD1 4.06Å; T215-L234 HydrophobicContact CG2-CB 4.19Å; T215-L234 HydrophobicContact CG2-CD1 4.44Å; T215-L234 PolarHBondContact O-N 2.98Å; M217-L234 HydrophobicContact CB-CD1 4.32Å; I232-L234 HydrophobicContact CG2-CD2 4.33Å; L234-T245 VanDerWaalsContact C-OG1 3.3Å; L234-T245 VanDerWaalsContact CA-OG1 3.31Å; L234-T245 WeakPolarHBondContact CA-OG1 3.42Å; L234-T245 WeakPolarHBondContact O-CB 3.35Å; L234-T245 PolarHBondContact O-OG1 3.48Å; L234-I248 HydrophobicContact CD2-CD1 4.23Å; L234-V281 HydrophobicContact CD2-CG2 4.41Å
235L95.7Very high85.8Confident0 Ų052.1 Ų52.10%028%0.282CS..EExtended strand (participates in β ladder)trans-135.1146.9173.3-58.9174.6000110Y195 A198 T215 I233 T241Y195-L235 HydrophobicContact CD2-CD1 3.98Å; Y195-L235 HydrophobicContact CD2-CD2 4.22Å; Y195-L235 HydrophobicContact CE2-CD1 4.04Å; A198-L235 HydrophobicContact CB-CD1 3.63Å; A198-L235 HydrophobicContact CB-CD2 3.96Å; A198-L235 HydrophobicContact CB-CG 3.57Å; T215-L235 PolarHBondContact N-O 3.2Å; T215-L235 PolarHBondContact O-N 3.26Å; I233-L235 WeakPolarHBondContact CG2-O 3.38Å; L235-T241 HydrophobicContact CD2-CG2 3.87Å
236K93.6Very high87.6Confident65 Ų6546.4 Ų46.428%0.28325%0.246SC..  trans-69.4170.1167.5-74.6-173.4-104.9149.90111.1D238 N239 S240 L242K236-D238 WeakPolarHBondContact CB-OD1 3.31Å; K236-D238 PolarHBondContact O-N 3.03Å; K236-N239 WeakPolarHBondContact O-CA 3.22Å; K236-N239 PolarHBondContact O-N 3.09Å; K236-S240 WeakPolarHBondContact CE-OG 3.42Å; K236-S240 PolarHBondContact N-O 3.37Å; K236-S240 PolarHBondContact NZ-OG 3.13Å; K236-L242 HydrophobicContact CD-CD2 4.31Å; K236-L242 HydrophobicContact CG-CD2 3.96Å; K236-L242 HydrophobicContact CG-CG 4.31Å
237S91.2Very high89.2Confident78 Ų7840.9 Ų40.955%0.54522%0.217SC..THydrogen-bonded Turntrans-65.7-27.3179.952.30000112.7D212 N239D212-S237 WeakPolarHBondContact O-CB 3.4Å; S237-N239 PolarHBondContact O-N 3.26Å
238D88.4Confident90.5Very high89 Ų8940.7 Ų40.748%0.47622%0.216SC..THydrogen-bonded Turntrans-80.310170.270.2-8.4000113.4K236 S240K236-D238 WeakPolarHBondContact CB-OD1 3.31Å; K236-D238 PolarHBondContact O-N 3.03Å; D238-S240 VanDerWaalsContact CG-OG 3.26Å; D238-S240 PolarHBondContact O-N 3.44Å; D238-S240 VanDerWaalsContact O-N 3.16Å; D238-S240 VanDerWaalsContact OD1-CB 3.24Å; D238-S240 WeakPolarHBondContact OD1-CB 3.47Å; D238-S240 PolarHBondContact OD1-N 3.15Å; D238-S240 PolarHBondContact OD1-OG 3.01Å; D238-S240 PolarHBondContact OD2-OG 3.46Å
239N88.4Confident91.9Very high65 Ų6539.2 Ų39.235%0.34821%0.206SC..  trans62.19.7-175-70.2-38.9000115.7Y195 K209 K236 S237Y195-N239 HydrophobicContact CE2-CB 3.98Å; K209-N239 PolarHBondContact NZ-OD1 3.29Å; K236-N239 WeakPolarHBondContact O-CA 3.22Å; K236-N239 PolarHBondContact O-N 3.09Å; S237-N239 PolarHBondContact O-N 3.26Å
240S87.4Confident93.1Very high11 Ų1133.2 Ų33.28%0.07717%0.173CC..PPolyproline II helixtrans-71.1144.9174.864.80000112.1N146 K236 D238N146-S240 VanDerWaalsContact ND2-CB 3.29Å; N146-S240 WeakPolarHBondContact ND2-CB 3.42Å; K236-S240 WeakPolarHBondContact CE-OG 3.42Å; K236-S240 PolarHBondContact N-O 3.37Å; K236-S240 PolarHBondContact NZ-OG 3.13Å; D238-S240 VanDerWaalsContact CG-OG 3.26Å; D238-S240 PolarHBondContact O-N 3.44Å; D238-S240 VanDerWaalsContact O-N 3.16Å; D238-S240 VanDerWaalsContact OD1-CB 3.24Å; D238-S240 WeakPolarHBondContact OD1-CB 3.47Å; D238-S240 PolarHBondContact OD1-N 3.15Å; D238-S240 PolarHBondContact OD1-OG 3.01Å; D238-S240 PolarHBondContact OD2-OG 3.46Å
241T91.1Very high93.8Very high16 Ų1631.1 Ų31.110%0.09816%0.164CC..BIsolated β-bridgetrans-77.2148.3-177.165.80000112.3A194 L235 R246A194-T241 HydrophobicContact CB-CG2 3.91Å; L235-T241 HydrophobicContact CD2-CG2 3.87Å; T241-R246 PolarHBondContact O-NH1 2.79Å; T241-R246 PolarHBondContact OG1-NH1 3.49Å; T241-R246 VanDerWaalsContact OG1-NH1 3.12Å
242L91.5Very high94.2Very high46 Ų4627.8 Ų27.824%0.24115%0.146CC..PPolyproline II helixtrans-101.8164174.8-67.6164.3000110.7I233 K236 L244 T245 R246I233-L242 HydrophobicContact CB-CD1 3.83Å; I233-L242 HydrophobicContact CG2-CD1 3.42Å; I233-L242 VanDerWaalsContact CG2-CD1 3.42Å; I233-L242 WeakPolarHBondContact O-CD1 3.39Å; K236-L242 HydrophobicContact CD-CD2 4.31Å; K236-L242 HydrophobicContact CG-CD2 3.96Å; K236-L242 HydrophobicContact CG-CG 4.31Å; L242-L244 VanDerWaalsContact C-N 3.27Å; L242-L244 PolarHBondContact O-N 3.46Å; L242-T245 PolarHBondContact O-N 3.31Å; L242-R246 PolarHBondContact O-N 2.8Å; L242-R246 PolarHBondContact O-NH1 3.3Å
243Y92.9Very high94.3Very high91 Ų9128.4 Ų28.436%0.35715%0.15SC..Hα-helixtrans-51.8-47.2176.6-69.9-70.6000111.6Q84 E187 T245 R246 D247Q84-Y243 PolarHBondContact NE2-OH 2.98Å; E187-Y243 WeakPolarHBondContact OE1-CE1 3.47Å; E187-Y243 WeakPolarHBondContact OE2-CD1 3.46Å; E187-Y243 WeakPolarHBondContact OE2-CE1 3.46Å; Y243-T245 VanDerWaalsContact C-N 3.34Å; Y243-T245 PolarHBondContact O-N 2.94Å; Y243-R246 PolarHBondContact O-N 2.96Å; Y243-D247 PolarHBondContact O-N 3.46Å
244L95.2Very high94.4Very high9 Ų925.2 Ų25.25%0.04713%0.134CC..Hα-helixtrans-55.5-46.7-179.8178.962.4000112.9I232 L242 R246 D247 I248 H274 Q277 L278I232-L244 HydrophobicContact CG2-CD2 3.28Å; L242-L244 VanDerWaalsContact C-N 3.27Å; L242-L244 PolarHBondContact O-N 3.46Å; L244-R246 VanDerWaalsContact C-N 3.34Å; L244-R246 PolarHBondContact O-N 2.95Å; L244-D247 PolarHBondContact O-N 3.36Å; L244-I248 HydrophobicContact CD1-CD1 4.14Å; L244-I248 HydrophobicContact CD1-CG1 4.4Å; L244-I248 HydrophobicContact CG-CD1 3.93Å; L244-I248 WeakPolarHBondContact O-CD1 3.43Å; L244-I248 VanDerWaalsContact O-CG1 3.27Å; L244-I248 WeakPolarHBondContact O-CG1 3.46Å; L244-I248 PolarHBondContact O-N 2.86Å; L244-H274 VanDerWaalsContact CA-CE1 3.45Å; L244-H274 WeakPolarHBondContact CA-CE1 3.47Å; L244-Q277 HydrophobicContact CD1-CB 4.26Å; L244-Q277 HydrophobicContact CD2-CB 3.9Å; L244-L278 HydrophobicContact CD1-CB 3.63Å; L244-L278 HydrophobicContact CD1-CD1 4.42Å; L244-L278 HydrophobicContact CD1-CG 4.34Å
245T96Very high94.5Very high0 Ų029.1 Ų29.10%015%0.149CC..Hα-helixtrans-69.2-34.9-177.2-40.60000111.8A194 L197 A198 L234 L242 Y243 A249A194-T245 HydrophobicContact CB-CG2 3.84Å; A194-T245 WeakPolarHBondContact CB-O 3.42Å; A194-T245 VanDerWaalsContact O-CG2 3.23Å; A194-T245 WeakPolarHBondContact O-CG2 3.28Å; L197-T245 HydrophobicContact CD2-CG2 4.35Å; A198-T245 HydrophobicContact CB-CG2 4.22Å; L234-T245 VanDerWaalsContact C-OG1 3.3Å; L234-T245 VanDerWaalsContact CA-OG1 3.31Å; L234-T245 WeakPolarHBondContact CA-OG1 3.42Å; L234-T245 WeakPolarHBondContact O-CB 3.35Å; L234-T245 PolarHBondContact O-OG1 3.48Å; L242-T245 PolarHBondContact O-N 3.31Å; Y243-T245 VanDerWaalsContact C-N 3.34Å; Y243-T245 PolarHBondContact O-N 2.94Å; T245-A249 WeakPolarHBondContact O-CB 3.49Å; T245-A249 PolarHBondContact O-N 2.88Å; T245-A249 VanDerWaalsContact O-N 3.09Å
246R96.1Very high94.5Very high7 Ų734.5 Ų34.53%0.02617%0.174CC..Hα-helixtrans-65.7-42.8171.3-69.2-167.9-65.6-81.13.8111.5E187 A194 T241 L242 Y243 L244 I248 A249 A250E187-R246 IonicContact OE2-CZ 3.98Å; E187-R246 IonicContact OE2-NE 2.69Å; E187-R246 PolarHBondContact OE2-NE 3.4Å; E187-R246 IonicContact OE2-NH2 3.28Å; E187-R246 PolarHBondContact OE2-NH2 2.81Å; A194-R246 HydrophobicContact CB-CG 3.96Å; T241-R246 PolarHBondContact O-NH1 2.79Å; T241-R246 PolarHBondContact OG1-NH1 3.49Å; T241-R246 VanDerWaalsContact OG1-NH1 3.12Å; L242-R246 PolarHBondContact O-N 2.8Å; L242-R246 PolarHBondContact O-NH1 3.3Å; Y243-R246 PolarHBondContact O-N 2.96Å; L244-R246 VanDerWaalsContact C-N 3.34Å; L244-R246 PolarHBondContact O-N 2.95Å; R246-I248 PolarHBondContact O-N 2.87Å; R246-A249 PolarHBondContact O-N 3.5Å; R246-A250 WeakPolarHBondContact O-CB 3.37Å; R246-A250 PolarHBondContact O-N 2.95Å
247D97.2Very high94.7Very high17 Ų1737.4 Ų37.49%0.09119%0.187CC..Hα-helixtrans-66-37.9178.5-68.9-9.5000112.4Y77 Y243 L244 A250 A251 H274 L278Y77-D247 WeakPolarHBondContact CE1-OD1 3.35Å; Y243-D247 PolarHBondContact O-N 3.46Å; L244-D247 PolarHBondContact O-N 3.36Å; D247-A250 PolarHBondContact O-N 2.92Å; D247-A251 WeakPolarHBondContact O-CB 3.13Å; D247-A251 PolarHBondContact O-N 2.76Å; D247-H274 IonicContact OD2-CD2 3.3Å; D247-H274 IonicContact OD2-CE1 3.6Å; D247-H274 PolarHBondContact OD2-CE1 2.95Å; D247-H274 VanDerWaalsContact OD2-CE1 3.3Å; D247-H274 IonicContact OD2-NE2 2.8Å; D247-H274 PolarHBondContact OD2-NE2 2.76Å; D247-L278 HydrophobicContact CB-CD1 3.35Å
248I97.3Very high94.9Very high0 Ų035.8 Ų35.80%017%0.169CC..Hα-helixtrans-64.4-46.8173.9-62.8156.6000110.1L197 L234 L244 R246 A250 A251 I252 L278 V281 L282 M285L197-I248 HydrophobicContact CD2-CB 3.79Å; L197-I248 HydrophobicContact CD2-CG2 3.45Å; L197-I248 VanDerWaalsContact CD2-CG2 3.45Å; L234-I248 HydrophobicContact CD2-CD1 4.23Å; L244-I248 HydrophobicContact CD1-CD1 4.14Å; L244-I248 HydrophobicContact CD1-CG1 4.4Å; L244-I248 HydrophobicContact CG-CD1 3.93Å; L244-I248 WeakPolarHBondContact O-CD1 3.43Å; L244-I248 VanDerWaalsContact O-CG1 3.27Å; L244-I248 WeakPolarHBondContact O-CG1 3.46Å; L244-I248 PolarHBondContact O-N 2.86Å; R246-I248 PolarHBondContact O-N 2.87Å; I248-A250 VanDerWaalsContact C-N 3.27Å; I248-A250 PolarHBondContact O-N 3.48Å; I248-A251 PolarHBondContact O-N 3.44Å; I248-I252 HydrophobicContact CG2-CD1 3.97Å; I248-I252 WeakPolarHBondContact O-CG1 3.5Å; I248-I252 PolarHBondContact O-N 2.87Å; I248-L278 HydrophobicContact CG1-CD1 4.39Å; I248-L278 HydrophobicContact CG1-CG 3.94Å; I248-V281 HydrophobicContact CD1-CB 3.81Å; I248-V281 HydrophobicContact CD1-CG1 3.73Å; I248-V281 HydrophobicContact CD1-CG2 4.04Å; I248-V281 HydrophobicContact CG2-CG1 4.41Å; I248-L282 HydrophobicContact CG2-CD2 3.87Å; I248-L282 HydrophobicContact CG2-CG 4.34Å; I248-M285 HydrophobicContact CG2-SD 4.34Å
249A97.7Very high95.2Very high4 Ų438 Ų383%0.03318%0.176CC..Hα-helixtrans-61.3-36.9176.700000112.4K193 A194 L197 T245 R246 S253K193-A249 HydrophobicContact CB-CB 3.94Å; A194-A249 HydrophobicContact CB-CB 4.13Å; L197-A249 HydrophobicContact CD2-CB 4.32Å; T245-A249 WeakPolarHBondContact O-CB 3.49Å; T245-A249 PolarHBondContact O-N 2.88Å; T245-A249 VanDerWaalsContact O-N 3.09Å; R246-A249 PolarHBondContact O-N 3.5Å; A249-S253 WeakPolarHBondContact O-CB 3.24Å; A249-S253 PolarHBondContact O-N 3.33Å; A249-S253 PolarHBondContact O-OG 2.92Å
250A98Very high95.5Very high0 Ų035 Ų350%016%0.16CC..Hα-helixtrans-65.6-46.4173.500000111.7Y190 R246 D247 I248 I252 S253 R254Y190-A250 VanDerWaalsContact CD1-CA 3.46Å; Y190-A250 HydrophobicContact CD1-CB 3.85Å; Y190-A250 HydrophobicContact CD2-CB 3.95Å; Y190-A250 VanDerWaalsContact CE1-CA 3.44Å; Y190-A250 HydrophobicContact CE1-CB 3.85Å; Y190-A250 HydrophobicContact CE2-CB 3.93Å; Y190-A250 HydrophobicContact CG-CB 3.88Å; R246-A250 WeakPolarHBondContact O-CB 3.37Å; R246-A250 PolarHBondContact O-N 2.95Å; D247-A250 PolarHBondContact O-N 2.92Å; I248-A250 VanDerWaalsContact C-N 3.27Å; I248-A250 PolarHBondContact O-N 3.48Å; A250-I252 PolarHBondContact O-N 3.32Å; A250-S253 PolarHBondContact O-N 2.73Å; A250-R254 WeakPolarHBondContact O-CB 3.26Å; A250-R254 WeakPolarHBondContact O-CD 3.38Å; A250-R254 WeakPolarHBondContact O-CG 3.35Å; A250-R254 PolarHBondContact O-N 3.4Å
251A97.1Very high95.8Very high0 Ų038.6 Ų38.60%018%0.178CC..Hα-helixtrans-60-44.4178.900000112.2D247 I248 R254 Y255 Y265 L282 W289D247-A251 WeakPolarHBondContact O-CB 3.13Å; D247-A251 PolarHBondContact O-N 2.76Å; I248-A251 PolarHBondContact O-N 3.44Å; A251-R254 PolarHBondContact O-N 2.89Å; A251-Y255 PolarHBondContact O-N 2.89Å; A251-Y265 VanDerWaalsContact CB-OH 3.26Å; A251-Y265 WeakPolarHBondContact CB-OH 3.28Å; A251-L282 HydrophobicContact CB-CD1 4.37Å; A251-W289 HydrophobicContact CB-CH2 3.76Å; A251-W289 HydrophobicContact CB-CZ2 4.41Å
252I97.1Very high95.8Very high17 Ų1738.6 Ų38.69%0.08718%0.177CC..Hα-helixtrans-61.8-50.4175.5-67170.3000110.7L197 I248 A250 R254 Y255 E256 L282 M285 Y287L197-I252 HydrophobicContact CD1-CD1 4.04Å; L197-I252 HydrophobicContact CD2-CD1 4.5Å; I248-I252 HydrophobicContact CG2-CD1 3.97Å; I248-I252 WeakPolarHBondContact O-CG1 3.5Å; I248-I252 PolarHBondContact O-N 2.87Å; A250-I252 PolarHBondContact O-N 3.32Å; I252-R254 VanDerWaalsContact C-N 3.27Å; I252-R254 PolarHBondContact O-N 2.82Å; I252-Y255 WeakPolarHBondContact O-CB 3.46Å; I252-Y255 PolarHBondContact O-N 2.87Å; I252-E256 HydrophobicContact CG2-CG 4.45Å; I252-E256 WeakPolarHBondContact CG2-OE1 3.43Å; I252-E256 WeakPolarHBondContact O-CG 3.47Å; I252-E256 PolarHBondContact O-N 2.82Å; I252-L282 HydrophobicContact CD1-CD2 4.42Å; I252-L282 HydrophobicContact CG1-CD2 3.96Å; I252-M285 HydrophobicContact CD1-CE 3.57Å; I252-M285 HydrophobicContact CD1-SD 4.08Å; I252-Y287 HydrophobicContact CD1-CE2 3.85Å; I252-Y287 HydrophobicContact CG1-CE2 3.67Å; I252-Y287 WeakPolarHBondContact CG2-OH 3.46Å
253S97.5Very high96Very high13 Ų1336.7 Ų36.79%0.09117%0.166CC..Hα-helixtrans-61.6-36.3179.9-62.20000112.5K193 A249 A250 K257K193-S253 WeakPolarHBondContact CD-OG 3.29Å; K193-S253 PolarHBondContact NZ-OG 3.07Å; A249-S253 WeakPolarHBondContact O-CB 3.24Å; A249-S253 PolarHBondContact O-N 3.33Å; A249-S253 PolarHBondContact O-OG 2.92Å; A250-S253 PolarHBondContact O-N 2.73Å; S253-K257 VanDerWaalsContact O-CB 3.23Å; S253-K257 WeakPolarHBondContact O-CB 3.3Å; S253-K257 PolarHBondContact O-N 3.31Å
254R97.6Very high96.2Very high1 Ų132.4 Ų32.40%0.00415%0.15CC..Hα-helixtrans-66.6-39.5174.9-71.7162.9-175.7177.6-0.5111D37 I75 E185 A250 A251 I252 K257 Y258 F260 Y265D37-R254 IonicContact OD2-CZ 2.74Å; D37-R254 VanDerWaalsContact OD2-CZ 3.25Å; D37-R254 IonicContact OD2-NH1 2.93Å; D37-R254 PolarHBondContact OD2-NH1 3.39Å; D37-R254 IonicContact OD2-NH2 2.7Å; D37-R254 PolarHBondContact OD2-NH2 3.26Å; I75-R254 HydrophobicContact CD1-CG 4.04Å; E185-R254 IonicContact OE2-CZ 2.83Å; E185-R254 VanDerWaalsContact OE2-CZ 3.23Å; E185-R254 IonicContact OE2-NE 2.93Å; E185-R254 PolarHBondContact OE2-NE 2.72Å; E185-R254 IonicContact OE2-NH2 3.33Å; E185-R254 PolarHBondContact OE2-NH2 3.25Å; A250-R254 WeakPolarHBondContact O-CB 3.26Å; A250-R254 WeakPolarHBondContact O-CD 3.38Å; A250-R254 WeakPolarHBondContact O-CG 3.35Å; A250-R254 PolarHBondContact O-N 3.4Å; A251-R254 PolarHBondContact O-N 2.89Å; I252-R254 VanDerWaalsContact C-N 3.27Å; I252-R254 PolarHBondContact O-N 2.82Å; R254-K257 PolarHBondContact O-N 2.83Å; R254-Y258 HydrophobicContact CB-CD2 4.2Å; R254-Y258 HydrophobicContact CG-CE2 4.47Å; R254-Y258 WeakPolarHBondContact O-CB 3.17Å; R254-Y258 VanDerWaalsContact O-CD2 3.29Å; R254-Y258 WeakPolarHBondContact O-CD2 3.19Å; R254-Y258 PolarHBondContact O-N 3.46Å; R254-F260 HydrophobicContact CB-CD1 4.47Å; R254-F260 HydrophobicContact CB-CE1 3.9Å; R254-Y265 VanDerWaalsContact NH1-CE1 3.3Å; R254-Y265 PolarHBondContact NH1-OH 2.88Å
255Y96.6Very high96.3Very high83 Ų8332.1 Ų32.133%0.32515%0.148SC..Hα-helixtrans-65.9-44.4177.6-179.1-105.9000111.1A251 I252 K257 H259 F260 Y287 W289A251-Y255 PolarHBondContact O-N 2.89Å; I252-Y255 WeakPolarHBondContact O-CB 3.46Å; I252-Y255 PolarHBondContact O-N 2.87Å; Y255-K257 VanDerWaalsContact C-N 3.32Å; Y255-K257 PolarHBondContact O-N 3.38Å; Y255-H259 VanDerWaalsContact O-CA 3.26Å; Y255-H259 WeakPolarHBondContact O-CA 3.14Å; Y255-H259 PolarHBondContact O-N 3.5Å; Y255-H259 PolarHBondContact O-ND1 3.35Å; Y255-F260 HydrophobicContact CD2-CD1 4.46Å; Y255-F260 HydrophobicContact CD2-CD2 4.23Å; Y255-F260 HydrophobicContact CD2-CE1 4.23Å; Y255-F260 AromaticContact CD2-CE2 3.92Å; Y255-F260 HydrophobicContact CD2-CE2 3.92Å; Y255-F260 HydrophobicContact CD2-CG 4.47Å; Y255-F260 AromaticContact CD2-CZ 3.93Å; Y255-F260 HydrophobicContact CD2-CZ 3.93Å; Y255-F260 HydrophobicContact CG-CE1 4.48Å; Y255-F260 HydrophobicContact CG-CZ 4.33Å; Y255-F260 VanDerWaalsContact N-CE1 3.29Å; Y255-Y287 HydrophobicContact CD1-CD1 4.34Å; Y255-Y287 HydrophobicContact CD1-CE1 4.06Å; Y255-Y287 HydrophobicContact CE1-CD1 4.46Å; Y255-Y287 HydrophobicContact CE1-CE1 4.38Å; Y255-W289 AromaticContact CD1-NE1 4Å; Y255-W289 AromaticContact CD2-CD1 3.54Å; Y255-W289 HydrophobicContact CD2-CG 4.2Å; Y255-W289 AromaticContact CD2-NE1 3.62Å; Y255-W289 AromaticContact CE2-CD1 3.5Å; Y255-W289 VanDerWaalsContact CE2-CD1 3.5Å; Y255-W289 HydrophobicContact CE2-CG 4.25Å; Y255-W289 AromaticContact CE2-NE1 4Å; Y255-W289 AromaticContact CG-NE1 3.62Å; Y255-W289 AromaticContact CZ-CD1 3.92Å
256E96.3Very high96.3Very high112 Ų11232.3 Ų32.352%0.52315%0.149SC..Hα-helixtrans-61.4-38.6174.6-69170.2173.600112.5I252 H259I252-E256 HydrophobicContact CG2-CG 4.45Å; I252-E256 WeakPolarHBondContact CG2-OE1 3.43Å; I252-E256 WeakPolarHBondContact O-CG 3.47Å; I252-E256 PolarHBondContact O-N 2.82Å; E256-H259 PolarHBondContact O-CE1 2.71Å; E256-H259 PolarHBondContact O-NE2 3.32Å
257K97.3Very high96.3Very high127 Ų12733.1 Ų33.155%0.55216%0.155SC*.Hα-helixtrans-78.2-42.3-177.5-178.4178.7178.6-170.10113.6S253 R254 Y255S253-K257 VanDerWaalsContact O-CB 3.23Å; S253-K257 WeakPolarHBondContact O-CB 3.3Å; S253-K257 PolarHBondContact O-N 3.31Å; R254-K257 PolarHBondContact O-N 2.83Å; Y255-K257 VanDerWaalsContact C-N 3.32Å; Y255-K257 PolarHBondContact O-N 3.38Å
258Y96.3Very high96.2Very high43 Ų4333.8 Ų33.817%0.16916%0.158CC..Hα-helixtrans-107.6-16.9-169.1-61.4-62.4000113.8V35 I73 I75 R254 F260V35-Y258 HydrophobicContact CG2-CD2 4.23Å; I73-Y258 HydrophobicContact CD1-CD1 4.49Å; I73-Y258 HydrophobicContact CG1-CD1 4.12Å; I73-Y258 HydrophobicContact CG1-CE1 4.25Å; I73-Y258 HydrophobicContact CG2-CE1 4.1Å; I73-Y258 HydrophobicContact CG2-CE2 4.23Å; I75-Y258 HydrophobicContact CD1-CE2 4.11Å; R254-Y258 HydrophobicContact CB-CD2 4.2Å; R254-Y258 HydrophobicContact CG-CE2 4.47Å; R254-Y258 WeakPolarHBondContact O-CB 3.17Å; R254-Y258 VanDerWaalsContact O-CD2 3.29Å; R254-Y258 WeakPolarHBondContact O-CD2 3.19Å; R254-Y258 PolarHBondContact O-N 3.46Å; Y258-F260 PolarHBondContact O-N 2.72Å
259H95.1Very high96Very high135 Ų13536.5 Ų36.563%0.62517%0.171SC*.  trans45.648-171.8-58.8-57.7000111.6Y255 E256Y255-H259 VanDerWaalsContact O-CA 3.26Å; Y255-H259 WeakPolarHBondContact O-CA 3.14Å; Y255-H259 PolarHBondContact O-N 3.5Å; Y255-H259 PolarHBondContact O-ND1 3.35Å; E256-H259 PolarHBondContact O-CE1 2.71Å; E256-H259 PolarHBondContact O-NE2 3.32Å
260F95.2Very high95.6Very high4 Ų439.2 Ų39.22%0.01820%0.2CC..  trans-68.2149.8-175.760.7-109.3000111.2T33 V35 R254 Y255 Y258 I263 W289T33-F260 HydrophobicContact CG2-CB 4.07Å; V35-F260 HydrophobicContact CB-CD1 4.33Å; V35-F260 HydrophobicContact CG2-CB 3.73Å; V35-F260 HydrophobicContact CG2-CD1 3.6Å; V35-F260 HydrophobicContact CG2-CE1 4.47Å; V35-F260 HydrophobicContact CG2-CG 3.88Å; R254-F260 HydrophobicContact CB-CD1 4.47Å; R254-F260 HydrophobicContact CB-CE1 3.9Å; Y255-F260 HydrophobicContact CD2-CD1 4.46Å; Y255-F260 HydrophobicContact CD2-CD2 4.23Å; Y255-F260 HydrophobicContact CD2-CE1 4.23Å; Y255-F260 AromaticContact CD2-CE2 3.92Å; Y255-F260 HydrophobicContact CD2-CE2 3.92Å; Y255-F260 HydrophobicContact CD2-CG 4.47Å; Y255-F260 AromaticContact CD2-CZ 3.93Å; Y255-F260 HydrophobicContact CD2-CZ 3.93Å; Y255-F260 HydrophobicContact CG-CE1 4.48Å; Y255-F260 HydrophobicContact CG-CZ 4.33Å; Y255-F260 VanDerWaalsContact N-CE1 3.29Å; Y258-F260 PolarHBondContact O-N 2.72Å; F260-I263 HydrophobicContact CD2-CB 4.05Å; F260-I263 HydrophobicContact CD2-CG2 4.27Å; F260-I263 HydrophobicContact CE1-CB 4.3Å; F260-I263 HydrophobicContact CE1-CD1 4.1Å; F260-I263 HydrophobicContact CE2-CB 3.69Å; F260-I263 HydrophobicContact CE2-CG2 3.47Å; F260-I263 VanDerWaalsContact CE2-CG2 3.47Å; F260-I263 HydrophobicContact CZ-CB 3.83Å; F260-I263 HydrophobicContact CZ-CD1 4.11Å; F260-I263 HydrophobicContact CZ-CG2 3.64Å; F260-W289 HydrophobicContact CE2-CB 4.37Å; F260-W289 AromaticContact CE2-CD2 3.69Å; F260-W289 HydrophobicContact CE2-CD2 3.69Å; F260-W289 AromaticContact CE2-CE3 3.7Å; F260-W289 HydrophobicContact CE2-CE3 3.7Å; F260-W289 AromaticContact CE2-CG 4Å; F260-W289 HydrophobicContact CE2-CG 4Å; F260-W289 HydrophobicContact CE2-CZ3 4.26Å; F260-W289 AromaticContact CZ-CD2 3.99Å; F260-W289 HydrophobicContact CZ-CD2 3.99Å; F260-W289 AromaticContact CZ-CE3 3.99Å; F260-W289 HydrophobicContact CZ-CE3 3.99Å; F260-W289 HydrophobicContact CZ-CH2 4.24Å; F260-W289 HydrophobicContact CZ-CZ2 4.24Å; F260-W289 HydrophobicContact CZ-CZ3 4.13Å
261D92.7Very high95.3Very high86 Ų8643.6 Ų43.646%0.4622%0.22SC..SBendtrans-81.3-33.7170.7-57.8-78.3000110.6E32 T33E32-D261 VanDerWaalsContact CA-OD2 3.26Å; E32-D261 WeakPolarHBondContact CA-OD2 3.26Å; E32-D261 HydrophobicContact CB-CB 3.99Å; E32-D261 HydrophobicContact CG-CB 4.23Å; T33-D261 PolarHBondContact N-OD2 2.95Å; T33-D261 PolarHBondContact O-N 3.35Å
262R92Very high95Very high16 Ų1648.1 Ų48.16%0.0624%0.237CC..EExtended strand (participates in β ladder)trans-142.9150-178.9-55.7-176.7-57.8-171.6-2.5112E32 T33 V34 V35 N65 R313 Y509E32-R262 IonicContact OE2-CZ 3.25Å; E32-R262 IonicContact OE2-NE 3.23Å; E32-R262 PolarHBondContact OE2-NE 3.23Å; E32-R262 VanDerWaalsContact OE2-NE 3.07Å; E32-R262 IonicContact OE2-NH1 2.96Å; E32-R262 PolarHBondContact OE2-NH1 3.43Å; E32-R262 IonicContact OE2-NH2 2.73Å; E32-R262 PolarHBondContact OE2-NH2 2.94Å; T33-R262 PolarHBondContact O-N 3.12Å; V34-R262 WeakPolarHBondContact CA-O 3.42Å; V34-R262 VanDerWaalsContact CG2-NH2 3.32Å; V35-R262 PolarHBondContact N-O 3.21Å; N65-R262 PolarHBondContact OD1-NH2 3.29Å; R262-R313 VanDerWaalsContact CD-O 3.29Å; R262-R313 WeakPolarHBondContact CD-O 3.37Å; R262-R313 PolarHBondContact NH1-O 2.89Å; R262-Y509 PolarHBondContact NH2-OH 3.26Å
263I95.5Very high94.6Very high5 Ų551 Ų513%0.02625%0.253CS..EExtended strand (participates in β ladder)trans-133.6137.5172.2-178166.4000110.4V35 F260 Y265 W289 L316V35-I263 HydrophobicContact CB-CB 4.14Å; V35-I263 HydrophobicContact CB-CD1 4.23Å; V35-I263 HydrophobicContact CB-CG1 3.91Å; V35-I263 HydrophobicContact CG1-CD1 3.86Å; V35-I263 HydrophobicContact CG1-CG1 3.88Å; V35-I263 CarbonylContact O-C 3.56Å; V35-I263 WeakPolarHBondContact O-CA 3.36Å; F260-I263 HydrophobicContact CD2-CB 4.05Å; F260-I263 HydrophobicContact CD2-CG2 4.27Å; F260-I263 HydrophobicContact CE1-CB 4.3Å; F260-I263 HydrophobicContact CE1-CD1 4.1Å; F260-I263 HydrophobicContact CE2-CB 3.69Å; F260-I263 HydrophobicContact CE2-CG2 3.47Å; F260-I263 VanDerWaalsContact CE2-CG2 3.47Å; F260-I263 HydrophobicContact CZ-CB 3.83Å; F260-I263 HydrophobicContact CZ-CD1 4.11Å; F260-I263 HydrophobicContact CZ-CG2 3.64Å; I263-Y265 HydrophobicContact CD1-CE2 3.72Å; I263-Y265 HydrophobicContact CG1-CD2 4.32Å; I263-Y265 HydrophobicContact CG1-CE2 3.83Å; I263-Y265 HydrophobicContact CG2-CE2 4.48Å; I263-W289 HydrophobicContact CG2-CE3 3.58Å; I263-W289 HydrophobicContact CG2-CH2 4.37Å; I263-W289 HydrophobicContact CG2-CZ3 3.38Å; I263-L316 HydrophobicContact CG2-CD1 3.73Å
264H95.8Very high94.4Very high1 Ų152.1 Ų52.11%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-125.4124.1-179.7-62.5-46000110.7V35 V36 D37 R313 L315 I318 Y512V35-H264 PolarHBondContact O-N 3.47Å; V36-H264 CarbonylContact C-O 3.58Å; V36-H264 WeakPolarHBondContact CA-O 3.45Å; D37-H264 PolarHBondContact N-O 3.47Å; H264-R313 PolarHBondContact CE1-O 3.25Å; H264-L315 PolarHBondContact CE1-O 3.38Å; H264-L315 PolarHBondContact ND1-O 3.18Å; H264-I318 HydrophobicContact CB-CG1 3.91Å; H264-Y512 AromaticContact CD2-CE2 3.82Å; H264-Y512 AromaticContact CD2-CZ 3.96Å; H264-Y512 PolarHBondContact CD2-OH 2.89Å; H264-Y512 AromaticContact CE1-CE2 3.73Å; H264-Y512 AromaticContact NE2-CE2 3.46Å; H264-Y512 WeakPolarHBondContact NE2-CE2 3.43Å; H264-Y512 AromaticContact NE2-CZ 3.56Å; H264-Y512 PolarHBondContact NE2-OH 2.88Å
265Y97.2Very high94.1Very high4 Ų452.4 Ų52.42%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-100114.5170.9-67.7-93.8000109.4D37 A251 R254 I263 V267 F275 L316 H317 I318D37-Y265 HydrophobicContact CB-CD1 3.78Å; D37-Y265 HydrophobicContact CB-CE1 4.12Å; D37-Y265 HydrophobicContact CB-CG 4.44Å; A251-Y265 VanDerWaalsContact CB-OH 3.26Å; A251-Y265 WeakPolarHBondContact CB-OH 3.28Å; R254-Y265 VanDerWaalsContact NH1-CE1 3.3Å; R254-Y265 PolarHBondContact NH1-OH 2.88Å; I263-Y265 HydrophobicContact CD1-CE2 3.72Å; I263-Y265 HydrophobicContact CG1-CD2 4.32Å; I263-Y265 HydrophobicContact CG1-CE2 3.83Å; I263-Y265 HydrophobicContact CG2-CE2 4.48Å; Y265-V267 PolarHBondContact O-N 3.4Å; Y265-F275 AromaticContact CD1-CE1 3.56Å; Y265-F275 HydrophobicContact CD1-CE1 3.56Å; Y265-F275 HydrophobicContact CD1-CZ 4.1Å; Y265-F275 HydrophobicContact CD2-CD1 4.24Å; Y265-F275 AromaticContact CD2-CE1 3.94Å; Y265-F275 HydrophobicContact CD2-CE1 3.94Å; Y265-F275 HydrophobicContact CE1-CE1 4.29Å; Y265-F275 HydrophobicContact CG-CD1 4.03Å; Y265-F275 AromaticContact CG-CE1 3.33Å; Y265-F275 HydrophobicContact CG-CE1 3.33Å; Y265-F275 HydrophobicContact CG-CZ 4.07Å; Y265-L316 HydrophobicContact CD2-CD1 3.8Å; Y265-L316 HydrophobicContact CD2-CG 4.03Å; Y265-L316 WeakPolarHBondContact CD2-O 3.35Å; Y265-L316 HydrophobicContact CE2-CD1 3.74Å; Y265-L316 HydrophobicContact CE2-CG 4.32Å; Y265-L316 PolarHBondContact N-O 3.23Å; Y265-H317 PolarHBondContact O-CD2 2.83Å; Y265-I318 PolarHBondContact O-N 3.02Å
266V97.3Very high93.7Very high3 Ų350.4 Ų50.42%0.01825%0.251CS..  trans-9791.2-177.2-171.50000109.2V36 D37 T57 V61 I318 F320V36-V266 HydrophobicContact CG1-CG2 3.82Å; D37-V266 PolarHBondContact O-N 2.94Å; T57-V266 HydrophobicContact CG2-CG1 3.76Å; V61-V266 HydrophobicContact CG2-CG2 4.41Å; V266-I318 HydrophobicContact CG2-CB 4.12Å; V266-I318 HydrophobicContact CG2-CG2 4.48Å; V266-F320 HydrophobicContact CG1-CD1 4.05Å; V266-F320 HydrophobicContact CG1-CE1 4.3Å
267V95.8Very high93.5Very high25 Ų2546.7 Ų46.715%0.15223%0.234CC..  trans-133.8152.2-171-1760000111.1Y265 Q271 F275 H317 I318 P319 F320Y265-V267 PolarHBondContact O-N 3.4Å; V267-Q271 HydrophobicContact CG1-CB 3.9Å; V267-Q271 HydrophobicContact CG1-CG 3.9Å; V267-F275 HydrophobicContact CB-CE2 3.61Å; V267-F275 HydrophobicContact CB-CZ 4.09Å; V267-F275 HydrophobicContact CG1-CE2 3.87Å; V267-F275 HydrophobicContact CG2-CE2 3.68Å; V267-F275 HydrophobicContact CG2-CZ 3.59Å; V267-H317 PolarHBondContact O-NE2 2.71Å; V267-I318 PolarHBondContact N-O 2.78Å; V267-P319 VanDerWaalsContact O-CA 3.31Å; V267-P319 WeakPolarHBondContact O-CA 3.47Å; V267-F320 PolarHBondContact O-N 3.1Å
268E95.1Very high93.4Very high31 Ų3140.6 Ų40.615%0.14521%0.208CC..BIsolated β-bridgetrans-55.2142.9179.1-166.6-97.2121.700111.8G270 Q271 F320 R322E268-G270 PolarHBondContact O-N 3.47Å; E268-G270 VanDerWaalsContact O-N 3.12Å; E268-G270 PolarHBondContact OE1-N 2.73Å; E268-Q271 PolarHBondContact O-N 3.33Å; E268-F320 CarbonylContact C-O 3.56Å; E268-F320 WeakPolarHBondContact CA-O 3.11Å; E268-F320 HydrophobicContact CB-CD2 4.45Å; E268-F320 HydrophobicContact CB-CE2 3.84Å; E268-F320 HydrophobicContact CB-CZ 3.9Å; E268-F320 HydrophobicContact CG-CE2 4.16Å; E268-F320 VanDerWaalsContact N-CE1 3.29Å; E268-R322 HydrophobicContact CG-CB 4.14Å; E268-R322 IonicContact OE2-CZ 3.88Å; E268-R322 IonicContact OE2-NE 2.77Å; E268-R322 PolarHBondContact OE2-NE 3.4Å; E268-R322 IonicContact OE2-NH2 3.45Å; E268-R322 PolarHBondContact OE2-NH2 3.4Å
269I92.3Very high93.1Very high56 Ų5638.9 Ų38.929%0.28720%0.201SC..G310 helixtrans-58.4-29.1-171.4-167.3166.1000113.6Q271 R272 P319 F320I269-Q271 PolarHBondContact O-N 3.35Å; I269-R272 WeakPolarHBondContact O-CB 3.42Å; I269-R272 PolarHBondContact O-N 2.92Å; I269-P319 HydrophobicContact CB-CB 3.97Å; I269-P319 HydrophobicContact CD1-CB 4.35Å; I269-P319 HydrophobicContact CG1-CB 3.91Å; I269-F320 PolarHBondContact N-O 2.8Å
270G90.6Very high92.8Very high62 Ų6233 Ų3364%0.63917%0.174SC*.G310 helixtrans-58.7-14.4174.700000115.3E268E268-G270 PolarHBondContact O-N 3.47Å; E268-G270 VanDerWaalsContact O-N 3.12Å; E268-G270 PolarHBondContact OE1-N 2.73Å
271Q91.6Very high92.7Very high91 Ų9132.9 Ų32.943%0.42517%0.173SC..G310 helixtrans-9612.3174.8-59.6-16528.600113.9V267 E268 I269 L273 H274 F275V267-Q271 HydrophobicContact CG1-CB 3.9Å; V267-Q271 HydrophobicContact CG1-CG 3.9Å; E268-Q271 PolarHBondContact O-N 3.33Å; I269-Q271 PolarHBondContact O-N 3.35Å; Q271-L273 VanDerWaalsContact C-N 3.3Å; Q271-L273 PolarHBondContact O-N 3.08Å; Q271-H274 WeakPolarHBondContact O-CB 3.17Å; Q271-H274 PolarHBondContact O-N 2.91Å; Q271-H274 VanDerWaalsContact O-N 3.09Å; Q271-F275 HydrophobicContact CB-CD2 4.32Å; Q271-F275 HydrophobicContact CB-CE2 4.17Å; Q271-F275 WeakPolarHBondContact O-CD2 3.23Å; Q271-F275 PolarHBondContact O-N 3.35Å
272R89.8Confident92.7Very high95 Ų9528.8 Ų28.836%0.35815%0.151SC..Hα-helixtrans-51.3-46.3-178.7-176.1177-178.2175.12112.9I269 H274 F275 Q276 D298I269-R272 WeakPolarHBondContact O-CB 3.42Å; I269-R272 PolarHBondContact O-N 2.92Å; R272-H274 VanDerWaalsContact C-N 3.32Å; R272-H274 PolarHBondContact O-N 3.18Å; R272-F275 PolarHBondContact O-N 3.49Å; R272-Q276 WeakPolarHBondContact O-CG 3.36Å; R272-Q276 PolarHBondContact O-N 3.1Å; R272-D298 IonicContact NH1-OD1 3.89Å
273L89.4Confident92.6Very high79 Ų7930.1 Ų30.141%0.41416%0.159SC..Hα-helixtrans-59.8-42.1-180179.860.9000112.1F227 Q271 F275 Q276 Q277F227-L273 HydrophobicContact CD2-CD1 3.86Å; F227-L273 HydrophobicContact CE2-CD1 4.04Å; Q271-L273 VanDerWaalsContact C-N 3.3Å; Q271-L273 PolarHBondContact O-N 3.08Å; L273-F275 PolarHBondContact O-N 3.06Å; L273-Q276 WeakPolarHBondContact O-CB 3.43Å; L273-Q276 PolarHBondContact O-N 3.36Å; L273-Q277 HydrophobicContact CD1-CG 4.34Å; L273-Q277 HydrophobicContact CG-CG 4.5Å; L273-Q277 WeakPolarHBondContact O-CG 3.49Å; L273-Q277 PolarHBondContact O-N 3.25Å
274H92.8Very high92.3Very high35 Ų3534.9 Ų34.916%0.16218%0.18CC..Hα-helixtrans-58.3-46.3177.9173.693.9000111.7L244 D247 Q271 R272 Q277 L278L244-H274 VanDerWaalsContact CA-CE1 3.45Å; L244-H274 WeakPolarHBondContact CA-CE1 3.47Å; D247-H274 IonicContact OD2-CD2 3.3Å; D247-H274 IonicContact OD2-CE1 3.6Å; D247-H274 PolarHBondContact OD2-CE1 2.95Å; D247-H274 VanDerWaalsContact OD2-CE1 3.3Å; D247-H274 IonicContact OD2-NE2 2.8Å; D247-H274 PolarHBondContact OD2-NE2 2.76Å; Q271-H274 WeakPolarHBondContact O-CB 3.17Å; Q271-H274 PolarHBondContact O-N 2.91Å; Q271-H274 VanDerWaalsContact O-N 3.09Å; R272-H274 VanDerWaalsContact C-N 3.32Å; R272-H274 PolarHBondContact O-N 3.18Å; H274-Q277 PolarHBondContact O-N 3.47Å; H274-L278 WeakPolarHBondContact O-CB 3.42Å; H274-L278 PolarHBondContact O-N 3.17Å
275F92.3Very high92.1Very high8 Ų836.8 Ų36.84%0.03519%0.189CC..Hα-helixtrans-72.1-28178.3-73.7-73.3000113.5Y265 V267 Q271 R272 L273 N279 H317Y265-F275 AromaticContact CD1-CE1 3.56Å; Y265-F275 HydrophobicContact CD1-CE1 3.56Å; Y265-F275 HydrophobicContact CD1-CZ 4.1Å; Y265-F275 HydrophobicContact CD2-CD1 4.24Å; Y265-F275 AromaticContact CD2-CE1 3.94Å; Y265-F275 HydrophobicContact CD2-CE1 3.94Å; Y265-F275 HydrophobicContact CE1-CE1 4.29Å; Y265-F275 HydrophobicContact CG-CD1 4.03Å; Y265-F275 AromaticContact CG-CE1 3.33Å; Y265-F275 HydrophobicContact CG-CE1 3.33Å; Y265-F275 HydrophobicContact CG-CZ 4.07Å; V267-F275 HydrophobicContact CB-CE2 3.61Å; V267-F275 HydrophobicContact CB-CZ 4.09Å; V267-F275 HydrophobicContact CG1-CE2 3.87Å; V267-F275 HydrophobicContact CG2-CE2 3.68Å; V267-F275 HydrophobicContact CG2-CZ 3.59Å; Q271-F275 HydrophobicContact CB-CD2 4.32Å; Q271-F275 HydrophobicContact CB-CE2 4.17Å; Q271-F275 WeakPolarHBondContact O-CD2 3.23Å; Q271-F275 PolarHBondContact O-N 3.35Å; R272-F275 PolarHBondContact O-N 3.49Å; L273-F275 PolarHBondContact O-N 3.06Å; F275-N279 VanDerWaalsContact O-CB 3.26Å; F275-N279 WeakPolarHBondContact O-CB 3.38Å; F275-N279 PolarHBondContact O-N 2.94Å; F275-H317 HydrophobicContact CB-CB 3.75Å; F275-H317 HydrophobicContact CD2-CB 4.26Å; F275-H317 AromaticContact CD2-CD2 3.7Å; F275-H317 AromaticContact CD2-CG 3.8Å; F275-H317 AromaticContact CD2-NE2 3.99Å; F275-H317 HydrophobicContact CG-CB 3.91Å; F275-H317 AromaticContact CG-CG 3.98Å
276Q88.6Confident91.8Very high41 Ų4139 Ų3919%0.19221%0.214CC..Hα-helixtrans-65.4-43.1169.4-71.3172.8-49.700111.2F227 R272 L273 N279 Y280F227-Q276 HydrophobicContact CD2-CB 4.12Å; F227-Q276 HydrophobicContact CE2-CB 3.83Å; F227-Q276 HydrophobicContact CZ-CB 4.47Å; R272-Q276 WeakPolarHBondContact O-CG 3.36Å; R272-Q276 PolarHBondContact O-N 3.1Å; L273-Q276 WeakPolarHBondContact O-CB 3.43Å; L273-Q276 PolarHBondContact O-N 3.36Å; Q276-N279 PolarHBondContact O-N 3.35Å; Q276-Y280 WeakPolarHBondContact O-CB 3.23Å; Q276-Y280 PolarHBondContact O-N 3.48Å
277Q91.7Very high91.5Very high33 Ų3341.2 Ų41.215%0.15422%0.222CC..Hα-helixtrans-62.8-45.2174.5-67.3179.3-20.500111.7F227 I232 L244 L273 H274 N279 Y280 V281F227-Q277 HydrophobicContact CE2-CB 4.42Å; F227-Q277 HydrophobicContact CE2-CG 3.59Å; F227-Q277 HydrophobicContact CZ-CB 4.5Å; F227-Q277 HydrophobicContact CZ-CG 4Å; I232-Q277 HydrophobicContact CD1-CB 3.98Å; I232-Q277 HydrophobicContact CD1-CG 4.01Å; I232-Q277 HydrophobicContact CG1-CB 4.24Å; I232-Q277 HydrophobicContact CG1-CG 3.91Å; I232-Q277 HydrophobicContact CG2-CB 4.17Å; L244-Q277 HydrophobicContact CD1-CB 4.26Å; L244-Q277 HydrophobicContact CD2-CB 3.9Å; L273-Q277 HydrophobicContact CD1-CG 4.34Å; L273-Q277 HydrophobicContact CG-CG 4.5Å; L273-Q277 WeakPolarHBondContact O-CG 3.49Å; L273-Q277 PolarHBondContact O-N 3.25Å; H274-Q277 PolarHBondContact O-N 3.47Å; Q277-N279 PolarHBondContact O-N 2.96Å; Q277-Y280 PolarHBondContact O-N 2.98Å; Q277-V281 WeakPolarHBondContact O-CG2 3.27Å; Q277-V281 PolarHBondContact O-N 3.4Å
278L93.9Very high90.9Very high0 Ų046.7 Ų46.70%025%0.251CS..Hα-helixtrans-58.6-47.9176.3-173149.1000111.4L244 D247 I248 H274 Y280 V281 L282 L316L244-L278 HydrophobicContact CD1-CB 3.63Å; L244-L278 HydrophobicContact CD1-CD1 4.42Å; L244-L278 HydrophobicContact CD1-CG 4.34Å; D247-L278 HydrophobicContact CB-CD1 3.35Å; I248-L278 HydrophobicContact CG1-CD1 4.39Å; I248-L278 HydrophobicContact CG1-CG 3.94Å; H274-L278 WeakPolarHBondContact O-CB 3.42Å; H274-L278 PolarHBondContact O-N 3.17Å; L278-Y280 PolarHBondContact O-N 3.17Å; L278-V281 PolarHBondContact O-N 3.5Å; L278-L282 HydrophobicContact CD2-CD1 3.41Å; L278-L282 VanDerWaalsContact CD2-CD1 3.41Å; L278-L282 HydrophobicContact CD2-CG 4.46Å; L278-L282 HydrophobicContact CG-CD1 4.28Å; L278-L282 WeakPolarHBondContact O-CD1 3.5Å; L278-L282 WeakPolarHBondContact O-CG 3.34Å; L278-L282 PolarHBondContact O-N 3.09Å; L278-L282 VanDerWaalsContact O-N 3.16Å; L278-L316 HydrophobicContact CD2-CD2 3.57Å; L278-L316 HydrophobicContact CD2-CG 4.48Å
279N90.4Very high90.4Very high6 Ų646.8 Ų46.83%0.03225%0.249CC..Hα-helixtrans-57.9-48.2176.8-169.33000111.5F275 Q276 Q277 V281 L282 L283 P290 V291 L316F275-N279 VanDerWaalsContact O-CB 3.26Å; F275-N279 WeakPolarHBondContact O-CB 3.38Å; F275-N279 PolarHBondContact O-N 2.94Å; Q276-N279 PolarHBondContact O-N 3.35Å; Q277-N279 PolarHBondContact O-N 2.96Å; N279-V281 PolarHBondContact O-N 3.4Å; N279-L282 PolarHBondContact O-N 3.4Å; N279-L283 WeakPolarHBondContact O-CG 3.47Å; N279-L283 PolarHBondContact O-N 3.49Å; N279-L283 WeakPolarHBondContact OD1-CD1 3.22Å; N279-P290 WeakPolarHBondContact OD1-CB 3.47Å; N279-V291 PolarHBondContact ND2-O 3.1Å; N279-L316 HydrophobicContact CB-CD2 3.67Å
280Y89.6Confident89.5Confident13 Ų1344.2 Ų44.25%0.05124%0.237CC..Hα-helixtrans-57.9-48.4179.3179.6-100.5000112.6M217 S218 T219 I222 F227 I232 Q276 Q277 L278 L282 L283 K284 M294M217-Y280 HydrophobicContact CG-CE1 4.12Å; M217-Y280 HydrophobicContact SD-CD1 4.08Å; M217-Y280 HydrophobicContact SD-CE1 3.8Å; S218-Y280 PolarHBondContact O-OH 3.06Å; T219-Y280 WeakPolarHBondContact CA-OH 3.38Å; T219-Y280 HydrophobicContact CG2-CD1 3.95Å; T219-Y280 HydrophobicContact CG2-CE1 3.77Å; T219-Y280 HydrophobicContact CG2-CG 4.35Å; I222-Y280 HydrophobicContact CD1-CD2 3.57Å; I222-Y280 HydrophobicContact CD1-CE2 3.32Å; I222-Y280 HydrophobicContact CG1-CE2 4.09Å; F227-Y280 AromaticContact CE1-CD2 4Å; F227-Y280 HydrophobicContact CE1-CD2 4Å; F227-Y280 AromaticContact CE1-CG 3.86Å; F227-Y280 HydrophobicContact CE1-CG 3.86Å; F227-Y280 HydrophobicContact CZ-CG 4.24Å; I232-Y280 HydrophobicContact CD1-CD1 3.55Å; I232-Y280 HydrophobicContact CD1-CE1 4.21Å; I232-Y280 HydrophobicContact CD1-CG 4.31Å; Q276-Y280 WeakPolarHBondContact O-CB 3.23Å; Q276-Y280 PolarHBondContact O-N 3.48Å; Q277-Y280 PolarHBondContact O-N 2.98Å; L278-Y280 PolarHBondContact O-N 3.17Å; Y280-L282 VanDerWaalsContact C-N 3.34Å; Y280-L282 PolarHBondContact O-N 2.93Å; Y280-L283 PolarHBondContact O-N 3.33Å; Y280-K284 HydrophobicContact CD1-CG 4.31Å; Y280-K284 HydrophobicContact CE1-CG 3.89Å; Y280-K284 HydrophobicContact CE2-CG 4.08Å; Y280-K284 VanDerWaalsContact CZ-CE 3.46Å; Y280-K284 WeakPolarHBondContact O-CG 3.44Å; Y280-K284 PolarHBondContact O-N 3.37Å; Y280-K284 WeakPolarHBondContact OH-CE 3.44Å; Y280-M294 HydrophobicContact CD2-CE 3.99Å; Y280-M294 HydrophobicContact CG-CE 4.35Å
281V92.5Very high88.3Confident0 Ų044.2 Ų44.20%022%0.224CC..Hα-helixtrans-62-44.2-178.7177.60000110.5L201 M217 I232 L234 I248 Q277 L278 N279 L283 K284 M285L201-V281 HydrophobicContact CD1-CG1 4.08Å; M217-V281 HydrophobicContact CE-CG1 4.03Å; M217-V281 HydrophobicContact CE-CG2 4.48Å; M217-V281 HydrophobicContact SD-CB 4.34Å; M217-V281 HydrophobicContact SD-CG1 4.33Å; M217-V281 HydrophobicContact SD-CG2 3.85Å; I232-V281 HydrophobicContact CD1-CG2 4.2Å; I232-V281 HydrophobicContact CG2-CG2 4.2Å; L234-V281 HydrophobicContact CD2-CG2 4.41Å; I248-V281 HydrophobicContact CD1-CB 3.81Å; I248-V281 HydrophobicContact CD1-CG1 3.73Å; I248-V281 HydrophobicContact CD1-CG2 4.04Å; I248-V281 HydrophobicContact CG2-CG1 4.41Å; Q277-V281 WeakPolarHBondContact O-CG2 3.27Å; Q277-V281 PolarHBondContact O-N 3.4Å; L278-V281 PolarHBondContact O-N 3.5Å; N279-V281 PolarHBondContact O-N 3.4Å; V281-L283 PolarHBondContact O-N 3.02Å; V281-K284 PolarHBondContact O-N 2.97Å; V281-M285 HydrophobicContact CG1-SD 4.11Å; V281-M285 VanDerWaalsContact O-CG 3.27Å; V281-M285 WeakPolarHBondContact O-CG 3.43Å; V281-M285 PolarHBondContact O-N 3.27Å
282L93Very high86.4Confident0 Ų044.9 Ų44.90%023%0.23CC..Hα-helixtrans-62.3-42.6178.2-70.5164.8000112.9I248 A251 I252 L278 N279 Y280 K284 M285 G286 Y287 W289 P290I248-L282 HydrophobicContact CG2-CD2 3.87Å; I248-L282 HydrophobicContact CG2-CG 4.34Å; A251-L282 HydrophobicContact CB-CD1 4.37Å; I252-L282 HydrophobicContact CD1-CD2 4.42Å; I252-L282 HydrophobicContact CG1-CD2 3.96Å; L278-L282 HydrophobicContact CD2-CD1 3.41Å; L278-L282 VanDerWaalsContact CD2-CD1 3.41Å; L278-L282 HydrophobicContact CD2-CG 4.46Å; L278-L282 HydrophobicContact CG-CD1 4.28Å; L278-L282 WeakPolarHBondContact O-CD1 3.5Å; L278-L282 WeakPolarHBondContact O-CG 3.34Å; L278-L282 PolarHBondContact O-N 3.09Å; L278-L282 VanDerWaalsContact O-N 3.16Å; N279-L282 PolarHBondContact O-N 3.4Å; Y280-L282 VanDerWaalsContact C-N 3.34Å; Y280-L282 PolarHBondContact O-N 2.93Å; L282-K284 VanDerWaalsContact C-N 3.34Å; L282-K284 PolarHBondContact O-N 3.48Å; L282-M285 WeakPolarHBondContact O-CB 3.41Å; L282-M285 PolarHBondContact O-N 2.78Å; L282-G286 PolarHBondContact O-N 3.39Å; L282-Y287 HydrophobicContact CB-CD2 4.46Å; L282-Y287 HydrophobicContact CD2-CD2 3.9Å; L282-Y287 HydrophobicContact CD2-CE2 4.35Å; L282-Y287 WeakPolarHBondContact O-CB 3.27Å; L282-Y287 PolarHBondContact O-N 2.68Å; L282-Y287 VanDerWaalsContact O-N 3.07Å; L282-W289 HydrophobicContact CD1-CH2 3.28Å; L282-W289 HydrophobicContact CD1-CZ2 3.98Å; L282-W289 HydrophobicContact CD1-CZ3 3.88Å; L282-W289 HydrophobicContact CD2-CH2 3.94Å; L282-W289 HydrophobicContact CD2-CZ2 3.82Å; L282-W289 HydrophobicContact CG-CH2 4.16Å; L282-W289 HydrophobicContact CG-CZ2 4.42Å; L282-P290 HydrophobicContact CB-CG 3.88Å; L282-P290 HydrophobicContact CD1-CG 4.08Å
283L88.9Confident84.5Confident45 Ų4541.9 Ų41.924%0.23622%0.223CC..Hα-helixtrans-61.7-42.2175.2-73.3168.6000111.3N279 Y280 V281 M285 G286 I292 M294N279-L283 WeakPolarHBondContact O-CG 3.47Å; N279-L283 PolarHBondContact O-N 3.49Å; N279-L283 WeakPolarHBondContact OD1-CD1 3.22Å; Y280-L283 PolarHBondContact O-N 3.33Å; V281-L283 PolarHBondContact O-N 3.02Å; L283-M285 PolarHBondContact O-N 2.91Å; L283-G286 PolarHBondContact O-N 2.96Å; L283-I292 HydrophobicContact CD1-CG1 4.06Å; L283-I292 HydrophobicContact CD2-CG1 4.42Å; L283-M294 HydrophobicContact CD1-CE 4.48Å
284K89.8Confident82.3Confident104 Ų10439.8 Ų39.845%0.45221%0.211SC..Hα-helixtrans-65.7-25.8176.2-74.6-69.9177.7171.30113.4M217 Y280 V281 L282 G286M217-K284 HydrophobicContact SD-CB 4.31Å; M217-K284 HydrophobicContact SD-CG 4.43Å; Y280-K284 HydrophobicContact CD1-CG 4.31Å; Y280-K284 HydrophobicContact CE1-CG 3.89Å; Y280-K284 HydrophobicContact CE2-CG 4.08Å; Y280-K284 VanDerWaalsContact CZ-CE 3.46Å; Y280-K284 WeakPolarHBondContact O-CG 3.44Å; Y280-K284 PolarHBondContact O-N 3.37Å; Y280-K284 WeakPolarHBondContact OH-CE 3.44Å; V281-K284 PolarHBondContact O-N 2.97Å; L282-K284 VanDerWaalsContact C-N 3.34Å; L282-K284 PolarHBondContact O-N 3.48Å; K284-G286 VanDerWaalsContact C-N 3.25Å
285M91.6Very high79.9Confident41 Ų4143.1 Ų43.120%0.20223%0.229CC..THydrogen-bonded Turntrans-79.8-3.8171.8-67.7179.367.200113.8L197 M200 L201 I248 I252 V281 L282 L283 Y287L197-M285 HydrophobicContact CD1-CE 3.41Å; L197-M285 VanDerWaalsContact CD1-CE 3.41Å; L197-M285 HydrophobicContact CD1-SD 3.74Å; M200-M285 HydrophobicContact CE-CE 3.5Å; M200-M285 VanDerWaalsContact CE-CE 3.5Å; L201-M285 HydrophobicContact CD2-CG 3.76Å; L201-M285 HydrophobicContact CD2-SD 4.09Å; I248-M285 HydrophobicContact CG2-SD 4.34Å; I252-M285 HydrophobicContact CD1-CE 3.57Å; I252-M285 HydrophobicContact CD1-SD 4.08Å; V281-M285 HydrophobicContact CG1-SD 4.11Å; V281-M285 VanDerWaalsContact O-CG 3.27Å; V281-M285 WeakPolarHBondContact O-CG 3.43Å; V281-M285 PolarHBondContact O-N 3.27Å; L282-M285 WeakPolarHBondContact O-CB 3.41Å; L282-M285 PolarHBondContact O-N 2.78Å; L283-M285 PolarHBondContact O-N 2.91Å; M285-Y287 HydrophobicContact CB-CD2 3.88Å; M285-Y287 HydrophobicContact CB-CE2 4Å; M285-Y287 HydrophobicContact CE-CE2 4.02Å
286G90.5Very high77.2Confident52 Ų5245 Ų4554%0.53625%0.251SS..THydrogen-bonded Turntrans89.911.9178.500000115L282 L283 K284L282-G286 PolarHBondContact O-N 3.39Å; L283-G286 PolarHBondContact O-N 2.96Å; K284-G286 VanDerWaalsContact C-N 3.25Å
287Y90.6Very high74.7Confident49 Ų4947.5 Ų47.519%0.19227%0.266CS..  trans-81.6124.9172.1-66.4-72.9000110.7I252 Y255 L282 M285 W289 P290I252-Y287 HydrophobicContact CD1-CE2 3.85Å; I252-Y287 HydrophobicContact CG1-CE2 3.67Å; I252-Y287 WeakPolarHBondContact CG2-OH 3.46Å; Y255-Y287 HydrophobicContact CD1-CD1 4.34Å; Y255-Y287 HydrophobicContact CD1-CE1 4.06Å; Y255-Y287 HydrophobicContact CE1-CD1 4.46Å; Y255-Y287 HydrophobicContact CE1-CE1 4.38Å; L282-Y287 HydrophobicContact CB-CD2 4.46Å; L282-Y287 HydrophobicContact CD2-CD2 3.9Å; L282-Y287 HydrophobicContact CD2-CE2 4.35Å; L282-Y287 WeakPolarHBondContact O-CB 3.27Å; L282-Y287 PolarHBondContact O-N 2.68Å; L282-Y287 VanDerWaalsContact O-N 3.07Å; M285-Y287 HydrophobicContact CB-CD2 3.88Å; M285-Y287 HydrophobicContact CB-CE2 4Å; M285-Y287 HydrophobicContact CE-CE2 4.02Å; Y287-W289 AromaticContact CD1-NE1 3.23Å; Y287-W289 HydrophobicContact CG-CZ2 4.3Å; Y287-W289 AromaticContact CG-NE1 3.57Å; Y287-P290 WeakPolarHBondContact O-CD 3.47Å
288N84Confident72.1Confident140 Ų14052.6 Ų52.675%0.74929%0.294SS*.  trans-101.6-6.5-176.7-61.9-30.8000114.6
289W85.5Confident69.2Low32 Ų3256.2 Ų56.212%0.12132%0.316CS..SBendtrans-69-25.1176.552.1-102.7000114.6A251 Y255 F260 I263 L282 Y287 V291 L316A251-W289 HydrophobicContact CB-CH2 3.76Å; A251-W289 HydrophobicContact CB-CZ2 4.41Å; Y255-W289 AromaticContact CD1-NE1 4Å; Y255-W289 AromaticContact CD2-CD1 3.54Å; Y255-W289 HydrophobicContact CD2-CG 4.2Å; Y255-W289 AromaticContact CD2-NE1 3.62Å; Y255-W289 AromaticContact CE2-CD1 3.5Å; Y255-W289 VanDerWaalsContact CE2-CD1 3.5Å; Y255-W289 HydrophobicContact CE2-CG 4.25Å; Y255-W289 AromaticContact CE2-NE1 4Å; Y255-W289 AromaticContact CG-NE1 3.62Å; Y255-W289 AromaticContact CZ-CD1 3.92Å; F260-W289 HydrophobicContact CE2-CB 4.37Å; F260-W289 AromaticContact CE2-CD2 3.69Å; F260-W289 HydrophobicContact CE2-CD2 3.69Å; F260-W289 AromaticContact CE2-CE3 3.7Å; F260-W289 HydrophobicContact CE2-CE3 3.7Å; F260-W289 AromaticContact CE2-CG 4Å; F260-W289 HydrophobicContact CE2-CG 4Å; F260-W289 HydrophobicContact CE2-CZ3 4.26Å; F260-W289 AromaticContact CZ-CD2 3.99Å; F260-W289 HydrophobicContact CZ-CD2 3.99Å; F260-W289 AromaticContact CZ-CE3 3.99Å; F260-W289 HydrophobicContact CZ-CE3 3.99Å; F260-W289 HydrophobicContact CZ-CH2 4.24Å; F260-W289 HydrophobicContact CZ-CZ2 4.24Å; F260-W289 HydrophobicContact CZ-CZ3 4.13Å; I263-W289 HydrophobicContact CG2-CE3 3.58Å; I263-W289 HydrophobicContact CG2-CH2 4.37Å; I263-W289 HydrophobicContact CG2-CZ3 3.38Å; L282-W289 HydrophobicContact CD1-CH2 3.28Å; L282-W289 HydrophobicContact CD1-CZ2 3.98Å; L282-W289 HydrophobicContact CD1-CZ3 3.88Å; L282-W289 HydrophobicContact CD2-CH2 3.94Å; L282-W289 HydrophobicContact CD2-CZ2 3.82Å; L282-W289 HydrophobicContact CG-CH2 4.16Å; L282-W289 HydrophobicContact CG-CZ2 4.42Å; Y287-W289 AromaticContact CD1-NE1 3.23Å; Y287-W289 HydrophobicContact CG-CZ2 4.3Å; Y287-W289 AromaticContact CG-NE1 3.57Å; W289-V291 PolarHBondContact O-N 3Å; W289-L316 HydrophobicContact CZ3-CD1 4Å
290P73.4Confident66.5Low3 Ų363.1 Ų63.12%0.01934%0.342CS..SBendtrans-71.6116.9164.9-12.229.3000109.2N279 L282 Y287N279-P290 WeakPolarHBondContact OD1-CB 3.47Å; L282-P290 HydrophobicContact CB-CG 3.88Å; L282-P290 HydrophobicContact CD1-CG 4.08Å; Y287-P290 WeakPolarHBondContact O-CD 3.47Å
291V64.4Low63.6Low62 Ų6267.8 Ų67.838%0.37637%0.368SS..  trans-76.2138.4175.1-177.10000109.5N279 W289 S293 N314N279-V291 PolarHBondContact ND2-O 3.1Å; W289-V291 PolarHBondContact O-N 3Å; V291-S293 VanDerWaalsContact C-N 3.28Å; V291-S293 PolarHBondContact O-N 2.97Å; V291-N314 HydrophobicContact CB-CB 4.03Å; V291-N314 WeakPolarHBondContact CB-O 3.24Å; V291-N314 HydrophobicContact CG1-CB 4.19Å; V291-N314 HydrophobicContact CG2-CB 3.81Å
292I51.2Low60.8Low105 Ų10575.6 Ų75.654%0.53841%0.41SS..  trans-66.486.5175.5-55.9171.8000108.7L283 M294L283-I292 HydrophobicContact CD1-CG1 4.06Å; L283-I292 HydrophobicContact CD2-CG1 4.42Å; I292-M294 HydrophobicContact CG2-CB 3.87Å; I292-M294 HydrophobicContact CG2-CG 4.08Å
293S50.2Low57.8Low31 Ų3179.4 Ų79.422%0.21743%0.433CS..  trans-95.839.9161.551.10000110.2V291 I295 L315V291-S293 VanDerWaalsContact C-N 3.28Å; V291-S293 PolarHBondContact O-N 2.97Å; S293-I295 PolarHBondContact O-N 3.07Å; S293-L315 WeakPolarHBondContact OG-CD2 3.38Å
294M44.5Very low55.1Low35 Ų3585.5 Ų85.517%0.17247%0.466CS..  trans-7915.9174.3-68.1-157.7166.200113.1I222 F227 Y280 L283 I292I222-M294 HydrophobicContact CG2-SD 4.24Å; F227-M294 HydrophobicContact CE1-CE 4.17Å; Y280-M294 HydrophobicContact CD2-CE 3.99Å; Y280-M294 HydrophobicContact CG-CE 4.35Å; L283-M294 HydrophobicContact CD1-CE 4.48Å; I292-M294 HydrophobicContact CG2-CB 3.87Å; I292-M294 HydrophobicContact CG2-CG 4.08Å
295I41Very low52.2Low105 Ų10586.8 Ų86.854%0.53848%0.478SS..  trans-101.2105.5177.3-54.7179.5000106.8S293 D297S293-I295 PolarHBondContact O-N 3.07Å; I295-D297 VanDerWaalsContact C-N 3.35Å; I295-D297 PolarHBondContact O-N 3.19Å
296G36.6Very low49.5Very low47 Ų4791.5 Ų91.549%0.48550%0.504SS..  trans-58.6100.2166.300000109.1
297D36.1Very low46.6Very low95 Ų9597.6 Ų97.651%0.50852%0.519SS..  trans-126.1100.6158.9-93.5-13.3000106.4I295 V299 C308I295-D297 VanDerWaalsContact C-N 3.35Å; I295-D297 PolarHBondContact O-N 3.19Å; D297-V299 HydrophobicContact CB-CG2 3.6Å; D297-V299 PolarHBondContact O-N 3.1Å; D297-C308 PolarHBondContact OD2-SG 3.42Å; D297-C308 VanDerWaalsContact OD2-SG 3.33Å
298D36.5Very low43.8Very low140 Ų14098.3 Ų98.375%0.74953%0.53SS*.  trans-65.472.1152.4-69.9-33.7000107.6R272 Y300R272-D298 IonicContact NH1-OD1 3.89Å; D298-Y300 PolarHBondContact O-N 3.35Å
299V33.8Very low41.5Very low75 Ų7596.2 Ų96.246%0.45553%0.527SS..  trans-81.670.3166.9-171.20000108.3D297 C308D297-V299 HydrophobicContact CB-CG2 3.6Å; D297-V299 PolarHBondContact O-N 3.1Å; V299-C308 HydrophobicContact CB-CB 4.18Å; V299-C308 HydrophobicContact CG1-CB 4.09Å; V299-C308 HydrophobicContact CG2-CB 3.44Å; V299-C308 VanDerWaalsContact CG2-CB 3.44Å; V299-C308 WeakPolarHBondContact CG2-SG 3.49Å
300Y33.2Very low39.7Very low151 Ų15199.4 Ų99.459%0.59254%0.543SS*.  trans-115.856.3142.6-82.7-83.4000106.8D298D298-Y300 PolarHBondContact O-N 3.35Å
301D29.6Very low39.1Very low112 Ų112100.8 Ų100.860%0.59955%0.552SS**  trans-86131.3159.7-157.2-3.6000108.2T303D301-T303 PolarHBondContact O-N 2.85Å
302N32Very low39.2Very low163 Ų16398.2 Ų98.287%0.87254%0.537SS*.SBendtrans-75.644.6-175-72.1-61.7000111.7
303T31Very low40.2Very low80 Ų8096.7 Ų96.749%0.49153%0.525SS..  trans-120.9125.5179.658.90000109.2D301 N305D301-T303 PolarHBondContact O-N 2.85Å; T303-N305 PolarHBondContact O-N 3.35Å
304D32.1Very low41.4Very low173 Ų17398.8 Ų98.893%0.92553%0.533SS*.  trans-60.835.9177.3-76.2-43.5000114.8
305N28.1Very low43.3Very low132 Ų13299 Ų9971%0.70654%0.535SS*.  trans-104.595.6177-77.8-20.3000110.3T303 Q307T303-N305 PolarHBondContact O-N 3.35Å; N305-Q307 PolarHBondContact O-N 2.9Å
306D34.6Very low45.7Very low140 Ų14094.2 Ų94.275%0.74951%0.511SS*.THydrogen-bonded Turntrans-6123.4-180-117.2-17.6000115.6
307Q30.2Very low48.3Very low180 Ų18093 Ų9384%0.84149%0.492SS*.THydrogen-bonded Turntrans-107.3-3.9-169.6-73.9-169.3-1.600116.6N305 S309N305-Q307 PolarHBondContact O-N 2.9Å; Q307-S309 VanDerWaalsContact C-N 3.28Å; Q307-S309 PolarHBondContact O-N 3.19Å
308C32.9Very low51.1Low63 Ų6388.4 Ų88.443%0.42647%0.468SS..  trans-91.369.3161.4-164.70000110.2D297 V299 Q310D297-C308 PolarHBondContact OD2-SG 3.42Å; D297-C308 VanDerWaalsContact OD2-SG 3.33Å; V299-C308 HydrophobicContact CB-CB 4.18Å; V299-C308 HydrophobicContact CG1-CB 4.09Å; V299-C308 HydrophobicContact CG2-CB 3.44Å; V299-C308 VanDerWaalsContact CG2-CB 3.44Å; V299-C308 WeakPolarHBondContact CG2-SG 3.49Å; C308-Q310 PolarHBondContact O-N 3.1Å
309S34.4Very low53.9Low97 Ų9782.5 Ų82.568%0.67844%0.437SS*.  trans-97.560.4177.853.50000110.5Q307 C311Q307-S309 VanDerWaalsContact C-N 3.28Å; Q307-S309 PolarHBondContact O-N 3.19Å; S309-C311 PolarHBondContact O-N 2.87Å; S309-C311 VanDerWaalsContact O-N 3.07Å
310Q49.2Very low56.8Low99 Ų9979.4 Ų79.446%0.46342%0.418SS..  trans-68.2106.2155.6-113.6-177.218.600106.9C308 A312C308-Q310 PolarHBondContact O-N 3.1Å; Q310-A312 PolarHBondContact O-N 3.08Å; Q310-A312 VanDerWaalsContact O-N 3.16Å
311C58.8Low59.6Low31 Ų3172.2 Ų72.221%0.20939%0.389CS..  trans-62.7119.6-175.8-160.40000109.2S309 R313 N314 S510S309-C311 PolarHBondContact O-N 2.87Å; S309-C311 VanDerWaalsContact O-N 3.07Å; C311-R313 HydrophobicContact CB-CB 4.36Å; C311-R313 PolarHBondContact O-N 3.34Å; C311-R313 VanDerWaalsContact SG-CG 3.54Å; C311-R313 PolarHBondContact SG-NE 3.39Å; C311-N314 PolarHBondContact O-N 2.97Å; C311-S510 PolarHBondContact SG-O 2.8Å
312A67.2Low62.6Low8 Ų873.7 Ų73.77%0.06639%0.386CS..G310 helixtrans-54.7-22.6179.500000112.6Q310 N314 L315 S510 K511 Y512Q310-A312 PolarHBondContact O-N 3.08Å; Q310-A312 VanDerWaalsContact O-N 3.16Å; A312-N314 PolarHBondContact O-N 3.35Å; A312-N314 VanDerWaalsContact O-N 3.1Å; A312-L315 HydrophobicContact CB-CD1 4.11Å; A312-L315 WeakPolarHBondContact O-CB 3.21Å; A312-L315 PolarHBondContact O-N 3.46Å; A312-S510 WeakPolarHBondContact CB-O 3.19Å; A312-S510 PolarHBondContact N-O 3.06Å; A312-K511 WeakPolarHBondContact CB-O 3.36Å; A312-Y512 HydrophobicContact CB-CD2 4.04Å
313R72Confident65.3Low74 Ų7466.2 Ų66.228%0.27935%0.347SS..G310 helixtrans-51.7-21.4171.1-68.4-165.6-591344.7115.8R262 H264 C311 Y509 Y512R262-R313 VanDerWaalsContact CD-O 3.29Å; R262-R313 WeakPolarHBondContact CD-O 3.37Å; R262-R313 PolarHBondContact NH1-O 2.89Å; H264-R313 PolarHBondContact CE1-O 3.25Å; C311-R313 HydrophobicContact CB-CB 4.36Å; C311-R313 PolarHBondContact O-N 3.34Å; C311-R313 VanDerWaalsContact SG-CG 3.54Å; C311-R313 PolarHBondContact SG-NE 3.39Å; R313-Y509 WeakPolarHBondContact CD-OH 3.36Å; R313-Y509 HydrophobicContact CG-CE1 4.39Å; R313-Y509 WeakPolarHBondContact CG-O 3.29Å; R313-Y509 PolarHBondContact NH1-OH 3.17Å; R313-Y512 HydrophobicContact CG-CE1 4.48Å; R313-Y512 HydrophobicContact CG-CE2 4.47Å
314N76.4Confident67.7Low75 Ų7566.9 Ų66.940%0.40135%0.345SS..G310 helixtrans-107.1-2.3-180-70.8-7.3000112.8V291 C311 A312V291-N314 HydrophobicContact CB-CB 4.03Å; V291-N314 WeakPolarHBondContact CB-O 3.24Å; V291-N314 HydrophobicContact CG1-CB 4.19Å; V291-N314 HydrophobicContact CG2-CB 3.81Å; C311-N314 PolarHBondContact O-N 2.97Å; A312-N314 PolarHBondContact O-N 3.35Å; A312-N314 VanDerWaalsContact O-N 3.1Å
315L84Confident69.5Low38 Ų3861.2 Ų61.220%0.19933%0.327CS..  trans-77.5132-176.7-61.9177.7000110.9H264 S293 A312 H317 I318H264-L315 PolarHBondContact CE1-O 3.38Å; H264-L315 PolarHBondContact ND1-O 3.18Å; S293-L315 WeakPolarHBondContact OG-CD2 3.38Å; A312-L315 HydrophobicContact CB-CD1 4.11Å; A312-L315 WeakPolarHBondContact O-CB 3.21Å; A312-L315 PolarHBondContact O-N 3.46Å; L315-H317 VanDerWaalsContact C-N 3.31Å; L315-H317 WeakPolarHBondContact CB-O 3.37Å; L315-I318 HydrophobicContact CB-CD1 3.98Å
316L90.3Very high71.3Confident6 Ų656.5 Ų56.53%0.03130%0.301CS..SBendtrans-63.2-39.8169.6-173.665.3000111.3I263 Y265 L278 N279 W289I263-L316 HydrophobicContact CG2-CD1 3.73Å; Y265-L316 HydrophobicContact CD2-CD1 3.8Å; Y265-L316 HydrophobicContact CD2-CG 4.03Å; Y265-L316 WeakPolarHBondContact CD2-O 3.35Å; Y265-L316 HydrophobicContact CE2-CD1 3.74Å; Y265-L316 HydrophobicContact CE2-CG 4.32Å; Y265-L316 PolarHBondContact N-O 3.23Å; L278-L316 HydrophobicContact CD2-CD2 3.57Å; L278-L316 HydrophobicContact CD2-CG 4.48Å; N279-L316 HydrophobicContact CB-CD2 3.67Å; W289-L316 HydrophobicContact CZ3-CD1 4Å
317H92.9Very high72.5Confident20 Ų2051.7 Ų51.79%0.09328%0.279CS..BIsolated β-bridgetrans-109.5125.4-179.4178-147000110.8Y265 V267 F275 L315 P319Y265-H317 PolarHBondContact O-CD2 2.83Å; V267-H317 PolarHBondContact O-NE2 2.71Å; F275-H317 HydrophobicContact CB-CB 3.75Å; F275-H317 HydrophobicContact CD2-CB 4.26Å; F275-H317 AromaticContact CD2-CD2 3.7Å; F275-H317 AromaticContact CD2-CG 3.8Å; F275-H317 AromaticContact CD2-NE2 3.99Å; F275-H317 HydrophobicContact CG-CB 3.91Å; F275-H317 AromaticContact CG-CG 3.98Å; L315-H317 VanDerWaalsContact C-N 3.31Å; L315-H317 WeakPolarHBondContact CB-O 3.37Å; H317-P319 WeakPolarHBondContact O-CD 3.39Å
318I94.6Very high73.8Confident0 Ų045.3 Ų45.30%025%0.252CS..  trans-103.588.8172.2-55.8-51.7000107.9V61 H264 Y265 V266 V267 L315 R393 Y512V61-I318 HydrophobicContact CG2-CG2 4.2Å; H264-I318 HydrophobicContact CB-CG1 3.91Å; Y265-I318 PolarHBondContact O-N 3.02Å; V266-I318 HydrophobicContact CG2-CB 4.12Å; V266-I318 HydrophobicContact CG2-CG2 4.48Å; V267-I318 PolarHBondContact N-O 2.78Å; L315-I318 HydrophobicContact CB-CD1 3.98Å; I318-R393 VanDerWaalsContact C-NH1 3.34Å; I318-R393 VanDerWaalsContact CG2-CZ 3.46Å; I318-Y512 HydrophobicContact CD1-CD2 3.61Å; I318-Y512 HydrophobicContact CD1-CE2 4.08Å; I318-Y512 HydrophobicContact CG1-CD2 4.21Å
319P94.5Very high74.7Confident16 Ų1652.1 Ų52.110%0.10427%0.269CS..  trans-71.3142-172.426.3-36.3000113.4V267 I269 H317 R393 Q394V267-P319 VanDerWaalsContact O-CA 3.31Å; V267-P319 WeakPolarHBondContact O-CA 3.47Å; I269-P319 HydrophobicContact CB-CB 3.97Å; I269-P319 HydrophobicContact CD1-CB 4.35Å; I269-P319 HydrophobicContact CG1-CB 3.91Å; H317-P319 WeakPolarHBondContact O-CD 3.39Å; P319-R393 VanDerWaalsContact N-NH1 3.16Å; P319-R393 WeakPolarHBondContact O-CG 3.48Å; P319-R393 PolarHBondContact O-NH1 3.13Å; P319-Q394 HydrophobicContact CG-CG 4.22Å
320F94.7Very high75.8Confident10 Ų1054.4 Ų54.44%0.04427%0.267CS..BIsolated β-bridgetrans-129.2153.5167.363.8-95.7000111.9R53 A54 V266 V267 E268 I269 R393R53-F320 HydrophobicContact CB-CE2 4.45Å; R53-F320 HydrophobicContact CG-CD2 3.83Å; R53-F320 HydrophobicContact CG-CE2 4.25Å; R53-F320 HydrophobicContact CG-CG 4.45Å; A54-F320 HydrophobicContact CB-CE1 3.61Å; A54-F320 HydrophobicContact CB-CE2 4.36Å; A54-F320 HydrophobicContact CB-CZ 3.4Å; A54-F320 VanDerWaalsContact CB-CZ 3.4Å; V266-F320 HydrophobicContact CG1-CD1 4.05Å; V266-F320 HydrophobicContact CG1-CE1 4.3Å; V267-F320 PolarHBondContact O-N 3.1Å; E268-F320 CarbonylContact C-O 3.56Å; E268-F320 WeakPolarHBondContact CA-O 3.11Å; E268-F320 HydrophobicContact CB-CD2 4.45Å; E268-F320 HydrophobicContact CB-CE2 3.84Å; E268-F320 HydrophobicContact CB-CZ 3.9Å; E268-F320 HydrophobicContact CG-CE2 4.16Å; E268-F320 VanDerWaalsContact N-CE1 3.29Å; I269-F320 PolarHBondContact N-O 2.8Å; F320-R393 CarbonylContact C-O 3.53Å; F320-R393 VanDerWaalsContact CA-O 3.24Å; F320-R393 WeakPolarHBondContact CA-O 3.44Å; F320-R393 HydrophobicContact CB-CG 3.6Å; F320-R393 WeakPolarHBondContact CB-O 3.35Å
321G93.1Very high76.3Confident0 Ų051 Ų510%026%0.257CS..PPolyproline II helixtrans-70.1149.4-179.500000112R53 R393 Q394R53-G321 VanDerWaalsContact CD-O 3.29Å; R53-G321 WeakPolarHBondContact CD-O 3.38Å; R53-G321 PolarHBondContact NE-O 2.99Å; R53-G321 VanDerWaalsContact NE-O 3.16Å; R53-G321 PolarHBondContact NH1-O 2.96Å; G321-R393 PolarHBondContact N-O 3.42Å; G321-Q394 VanDerWaalsContact CA-O 3.24Å; G321-Q394 WeakPolarHBondContact CA-O 3.26Å
322R91.3Very high76.3Confident142 Ų14253.3 Ų53.354%0.53627%0.265SS..PPolyproline II helixtrans-67152.8175.6-176.2170.8-72.7-175.7-0.5112.4R53 E268 P396 I397R53-R322 PolarHBondContact NH1-O 3.12Å; E268-R322 HydrophobicContact CG-CB 4.14Å; E268-R322 IonicContact OE2-CZ 3.88Å; E268-R322 IonicContact OE2-NE 2.77Å; E268-R322 PolarHBondContact OE2-NE 3.4Å; E268-R322 IonicContact OE2-NH2 3.45Å; E268-R322 PolarHBondContact OE2-NH2 3.4Å; R322-P396 CarbonylContact O-C 3.56Å; R322-P396 VanDerWaalsContact O-CA 3.22Å; R322-P396 WeakPolarHBondContact O-CA 3.29Å; R322-I397 PolarHBondContact O-N 2.98Å
323I88.3Confident76.1Confident7 Ų753.6 Ų53.64%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-86.8117.7162.1-60.9-174000108.5L49 R53 M326 M388 I397L49-I323 HydrophobicContact CB-CD1 3.47Å; L49-I323 VanDerWaalsContact CB-CD1 3.47Å; L49-I323 HydrophobicContact CB-CG2 4.46Å; L49-I323 VanDerWaalsContact O-CD1 3.3Å; L49-I323 WeakPolarHBondContact O-CD1 3.33Å; R53-I323 HydrophobicContact CB-CD1 4.07Å; R53-I323 HydrophobicContact CB-CG1 4.46Å; I323-M326 HydrophobicContact CG2-CG 4.44Å; I323-M326 HydrophobicContact CG2-SD 4.31Å; I323-M388 HydrophobicContact CD1-CE 4.14Å; I323-M388 HydrophobicContact CD1-SD 3.73Å; I323-I397 CarbonylContact C-O 3.6Å; I323-I397 WeakPolarHBondContact CA-O 3.47Å; I323-I397 HydrophobicContact CG1-CB 4.48Å
324M82.9Confident76.2Confident94 Ų9451.8 Ų51.846%0.46327%0.265SS..EExtended strand (participates in β ladder)trans-78.7149.7-177.6-57.6-59.2-71.800110.7P396 I397 N398M324-P396 HydrophobicContact CG-CB 4.13Å; M324-P396 HydrophobicContact SD-CB 4.4Å; M324-I397 PolarHBondContact N-O 3.41Å; M324-N398 HydrophobicContact CB-CB 4.33Å
325G68.7Low76.6Confident53 Ų5350.5 Ų50.555%0.54626%0.256SS..THydrogen-bonded Turntrans86.8-0176.400000115.5
326M66.7Low76.8Confident33 Ų3348.8 Ų48.816%0.16325%0.247CC..  trans-109.6115.3172.7-61.7-169.3110.100110.5H48 L49 I323 E332 L334 I339H48-M326 HydrophobicContact CB-CE 4.33Å; L49-M326 HydrophobicContact CB-CE 4.2Å; L49-M326 HydrophobicContact CB-SD 3.47Å; L49-M326 WeakPolarHBondContact CB-SD 3.38Å; L49-M326 HydrophobicContact CD1-CE 3.91Å; L49-M326 HydrophobicContact CD1-SD 3.69Å; L49-M326 HydrophobicContact CG-CE 3.88Å; L49-M326 HydrophobicContact CG-SD 3.76Å; I323-M326 HydrophobicContact CG2-CG 4.44Å; I323-M326 HydrophobicContact CG2-SD 4.31Å; M326-E332 CarbonylContact C-O 3.58Å; M326-E332 WeakPolarHBondContact CA-O 3.44Å; M326-L334 WeakPolarHBondContact CE-O 3.25Å; M326-I339 HydrophobicContact CE-CD1 4.26Å
327S59.8Low76.7Confident40 Ų4051.1 Ų51.128%0.2826%0.259SS..BIsolated β-bridgetrans-126.1103.8171.8-173.20000110.3R329 K330 G331 E332S327-R329 PolarHBondContact O-N 3.15Å; S327-K330 PolarHBondContact O-N 3.07Å; S327-K330 VanDerWaalsContact O-N 3.14Å; S327-G331 PolarHBondContact O-N 3.47Å; S327-E332 CarbonylContact C-O 3.53Å; S327-E332 PolarHBondContact N-O 3.31Å; S327-E332 PolarHBondContact O-N 2.76Å
328T57.1Low76.5Confident45 Ų4552.9 Ų52.928%0.27627%0.269SS..G310 helixtrans-56.9-35172.226.70000112.1H48 Y110 K330 G331H48-T328 WeakPolarHBondContact CD2-CG2 3.49Å; Y110-T328 PolarHBondContact OH-O 3.35Å; T328-K330 VanDerWaalsContact C-N 3.26Å; T328-K330 PolarHBondContact O-N 3.33Å; T328-G331 PolarHBondContact O-N 3.27Å
329R53Low76.3Confident207 Ų20753.1 Ų53.178%0.78127%0.27SS*.G310 helixtrans-66.8-25.9179.9-67.5-173.4-176.7-1771.2113.4S327S327-R329 PolarHBondContact O-N 3.15Å
330K56.7Low76.2Confident145 Ų14552.4 Ų52.463%0.6327%0.266SS*.G310 helixtrans-98.4-4.7178.8-66.9-173.6173.7-173.10113.4S327 T328 E332S327-K330 PolarHBondContact O-N 3.07Å; S327-K330 VanDerWaalsContact O-N 3.14Å; T328-K330 VanDerWaalsContact C-N 3.26Å; T328-K330 PolarHBondContact O-N 3.33Å; K330-E332 HydrophobicContact CB-CB 4.27Å; K330-E332 HydrophobicContact CB-CG 3.76Å; K330-E332 WeakPolarHBondContact CD-OE2 3.43Å
331G58.6Low76.1Confident26 Ų2654.7 Ų54.727%0.26828%0.278SS..THydrogen-bonded Turntrans71.817.7-169.900000113.4S327 T328 S409S327-G331 PolarHBondContact O-N 3.47Å; T328-G331 PolarHBondContact O-N 3.27Å; G331-S409 PolarHBondContact O-OG 2.95Å
332E60.5Low76.1Confident81 Ų8157.7 Ų57.738%0.37929%0.294SS..BIsolated β-bridgetrans-97.292.5-176-68.3173.4168.900108.5M326 S327 K330M326-E332 CarbonylContact C-O 3.58Å; M326-E332 WeakPolarHBondContact CA-O 3.44Å; S327-E332 CarbonylContact C-O 3.53Å; S327-E332 PolarHBondContact N-O 3.31Å; S327-E332 PolarHBondContact O-N 2.76Å; K330-E332 HydrophobicContact CB-CB 4.27Å; K330-E332 HydrophobicContact CB-CG 3.76Å; K330-E332 WeakPolarHBondContact CD-OE2 3.43Å
333G63Low76.2Confident14 Ų1451 Ų5114%0.14427%0.269CS..SBendtrans152.3135.4177.600000112.1
334L73.6Confident76.5Confident36 Ų3652.4 Ų52.419%0.18828%0.276CS..  trans-70.7152.9171.2-71.3179.9000110.9M326 D338 I339 P406 V407M326-L334 WeakPolarHBondContact CE-O 3.25Å; L334-D338 HydrophobicContact CB-CB 4.38Å; L334-I339 HydrophobicContact CB-CD1 4.21Å; L334-I339 HydrophobicContact CB-CG1 3.93Å; L334-I339 HydrophobicContact CD1-CG1 4.38Å; L334-P406 WeakPolarHBondContact CD1-O 3.25Å; L334-V407 WeakPolarHBondContact CB-O 3.22Å; L334-V407 PolarHBondContact N-O 3.47Å
335F85.3Confident77Confident48 Ų4852.6 Ų52.621%0.21128%0.276CS..  trans-68.8150.6169.5-55.5-23000109.2P46 E107 Y110 L337 D338 I339P46-F335 HydrophobicContact CB-CD1 3.28Å; P46-F335 HydrophobicContact CB-CD2 4.44Å; P46-F335 HydrophobicContact CB-CE1 3.34Å; P46-F335 HydrophobicContact CB-CE2 4.47Å; P46-F335 HydrophobicContact CB-CG 3.89Å; P46-F335 HydrophobicContact CB-CZ 3.96Å; P46-F335 HydrophobicContact CG-CD1 3.88Å; P46-F335 HydrophobicContact CG-CE1 3.34Å; P46-F335 HydrophobicContact CG-CE2 4.43Å; P46-F335 HydrophobicContact CG-CZ 3.66Å; E107-F335 HydrophobicContact CB-CE2 4.38Å; E107-F335 HydrophobicContact CG-CE2 4.13Å; Y110-F335 AromaticContact CD1-CE1 3.89Å; Y110-F335 HydrophobicContact CD1-CE1 3.89Å; Y110-F335 AromaticContact CD1-CZ 3.65Å; Y110-F335 HydrophobicContact CD1-CZ 3.65Å; Y110-F335 AromaticContact CE1-CE1 3.81Å; Y110-F335 HydrophobicContact CE1-CE1 3.81Å; Y110-F335 AromaticContact CE1-CZ 3.98Å; Y110-F335 HydrophobicContact CE1-CZ 3.98Å; Y110-F335 HydrophobicContact CG-CZ 4.41Å; F335-L337 PolarHBondContact O-N 3.18Å; F335-D338 WeakPolarHBondContact CB-OD2 3.43Å; F335-D338 PolarHBondContact N-OD2 3.48Å; F335-D338 PolarHBondContact O-N 3.26Å; F335-D338 VanDerWaalsContact O-N 3.12Å; F335-I339 PolarHBondContact O-N 2.77Å
336L87.6Confident78.2Confident1 Ų153 Ų531%0.00526%0.262CS..Hα-helixtrans-56-38.3176.4177.966.5000110.5F47 L49 F52 M177 D338 I339 L340 L384F47-L336 HydrophobicContact CD1-CB 3.88Å; F47-L336 HydrophobicContact CD1-CD2 3.3Å; F47-L336 HydrophobicContact CD1-CG 4.19Å; F47-L336 HydrophobicContact CE1-CD2 3.49Å; F47-L336 VanDerWaalsContact CE1-CD2 3.49Å; F47-L336 WeakPolarHBondContact O-CB 3.39Å; F47-L336 PolarHBondContact O-N 3.17Å; L49-L336 HydrophobicContact CD2-CD1 4.19Å; F52-L336 HydrophobicContact CB-CD1 4.04Å; F52-L336 HydrophobicContact CB-CD2 4.26Å; F52-L336 HydrophobicContact CD2-CD1 3.67Å; F52-L336 HydrophobicContact CD2-CD2 3.77Å; F52-L336 HydrophobicContact CD2-CG 4.39Å; F52-L336 HydrophobicContact CE2-CD1 4.44Å; F52-L336 HydrophobicContact CG-CD1 4.06Å; F52-L336 HydrophobicContact CG-CD2 4.49Å; M177-L336 HydrophobicContact CE-CD2 4.34Å; M177-L336 HydrophobicContact SD-CD2 3.89Å; L336-D338 VanDerWaalsContact C-N 3.3Å; L336-D338 PolarHBondContact O-N 3.25Å; L336-I339 PolarHBondContact O-N 3.42Å; L336-I339 VanDerWaalsContact O-N 3.15Å; L336-L340 HydrophobicContact CD1-CD1 4.3Å; L336-L340 HydrophobicContact CD1-CD2 4.31Å; L336-L340 HydrophobicContact CD1-CG 3.99Å; L336-L340 HydrophobicContact CD2-CD1 4.07Å; L336-L340 HydrophobicContact CG-CD1 3.83Å; L336-L340 HydrophobicContact CG-CG 3.97Å; L336-L340 WeakPolarHBondContact O-CG 3.39Å; L336-L340 PolarHBondContact O-N 2.94Å; L336-L384 HydrophobicContact CD1-CD2 3.96Å
337L87.7Confident79.5Confident55 Ų5551.5 Ų51.529%0.28826%0.255SS..Hα-helixtrans-56-45.6179.2-172.969.6000111.7F335 I339 L340 N341F335-L337 PolarHBondContact O-N 3.18Å; L337-I339 VanDerWaalsContact C-N 3.35Å; L337-I339 PolarHBondContact O-N 3.4Å; L337-L340 PolarHBondContact O-N 3.29Å; L337-N341 WeakPolarHBondContact O-CB 3.27Å; L337-N341 PolarHBondContact O-N 3.15Å; L337-N341 PolarHBondContact O-ND2 3.34Å; L337-N341 PolarHBondContact O-OD1 3.05Å
338D88.6Confident81Confident58 Ų5850 Ų5031%0.3124%0.244SC..Hα-helixtrans-63.9-42.1178.4-55.5-39.6000111.2L334 F335 L336 N341 N342L334-D338 HydrophobicContact CB-CB 4.38Å; F335-D338 WeakPolarHBondContact CB-OD2 3.43Å; F335-D338 PolarHBondContact N-OD2 3.48Å; F335-D338 PolarHBondContact O-N 3.26Å; F335-D338 VanDerWaalsContact O-N 3.12Å; L336-D338 VanDerWaalsContact C-N 3.3Å; L336-D338 PolarHBondContact O-N 3.25Å; D338-N341 PolarHBondContact O-N 3.48Å; D338-N342 VanDerWaalsContact O-CB 3.25Å; D338-N342 WeakPolarHBondContact O-CB 3.45Å; D338-N342 PolarHBondContact O-N 3.37Å; D338-N342 PolarHBondContact O-ND2 3.3Å
339I90.8Very high82.6Confident5 Ų552.6 Ų52.63%0.02626%0.256CS..Hα-helixtrans-63.7-44.2178.4-61.7171.6000110.7L49 M326 L334 F335 L336 L337 N342 A343 L384 F402 V407L49-I339 HydrophobicContact CD1-CD1 3.79Å; L49-I339 HydrophobicContact CD2-CD1 3.68Å; L49-I339 HydrophobicContact CD2-CG2 4.38Å; L49-I339 HydrophobicContact CG-CD1 3.51Å; M326-I339 HydrophobicContact CE-CD1 4.26Å; L334-I339 HydrophobicContact CB-CD1 4.21Å; L334-I339 HydrophobicContact CB-CG1 3.93Å; L334-I339 HydrophobicContact CD1-CG1 4.38Å; F335-I339 PolarHBondContact O-N 2.77Å; L336-I339 PolarHBondContact O-N 3.42Å; L336-I339 VanDerWaalsContact O-N 3.15Å; L337-I339 VanDerWaalsContact C-N 3.35Å; L337-I339 PolarHBondContact O-N 3.4Å; I339-N342 PolarHBondContact O-N 2.88Å; I339-A343 WeakPolarHBondContact O-CB 3.46Å; I339-A343 PolarHBondContact O-N 3.47Å; I339-L384 HydrophobicContact CG2-CD2 4.29Å; I339-F402 HydrophobicContact CG2-CD1 3.9Å; I339-V407 HydrophobicContact CD1-CB 4.08Å; I339-V407 HydrophobicContact CD1-CG1 4.21Å; I339-V407 HydrophobicContact CG1-CG1 4.44Å
340L92.7Very high84.4Confident1 Ų148.4 Ų48.41%0.00524%0.24CC..Hα-helixtrans-66.9-41.7177.9-66.5178.8000111.6R176 L336 L337 A343 Q344 V381 L384R176-L340 VanDerWaalsContact NH2-CB 3.35Å; L336-L340 HydrophobicContact CD1-CD1 4.3Å; L336-L340 HydrophobicContact CD1-CD2 4.31Å; L336-L340 HydrophobicContact CD1-CG 3.99Å; L336-L340 HydrophobicContact CD2-CD1 4.07Å; L336-L340 HydrophobicContact CG-CD1 3.83Å; L336-L340 HydrophobicContact CG-CG 3.97Å; L336-L340 WeakPolarHBondContact O-CG 3.39Å; L336-L340 PolarHBondContact O-N 2.94Å; L337-L340 PolarHBondContact O-N 3.29Å; L340-A343 PolarHBondContact O-N 3.33Å; L340-Q344 WeakPolarHBondContact O-CB 3.47Å; L340-Q344 PolarHBondContact O-N 2.86Å; L340-V381 HydrophobicContact CD2-CG2 3.85Å; L340-L384 HydrophobicContact CD2-CD2 3.89Å
341N92.6Very high85.9Confident58 Ų5842 Ų4231%0.3121%0.212SC..Hα-helixtrans-62.2-44.5175.7-67.7-10.4000111.3R176 L337 D338 A343 Q344 Q345R176-N341 PolarHBondContact NH1-OD1 2.88Å; R176-N341 PolarHBondContact NH2-OD1 3.36Å; R176-N341 VanDerWaalsContact NH2-OD1 3.09Å; L337-N341 WeakPolarHBondContact O-CB 3.27Å; L337-N341 PolarHBondContact O-N 3.15Å; L337-N341 PolarHBondContact O-ND2 3.34Å; L337-N341 PolarHBondContact O-OD1 3.05Å; D338-N341 PolarHBondContact O-N 3.48Å; N341-A343 VanDerWaalsContact C-N 3.33Å; N341-A343 PolarHBondContact O-N 3.36Å; N341-Q344 PolarHBondContact O-N 3.21Å; N341-Q345 WeakPolarHBondContact O-CG 3.23Å; N341-Q345 PolarHBondContact O-N 3.03Å
342N92.3Very high87.2Confident62 Ų6247.8 Ų47.833%0.33223%0.231SC..Hα-helixtrans-59.9-43.1174.4-77.4-13.8000111.8D338 I339 Q345 F346 L405D338-N342 VanDerWaalsContact O-CB 3.25Å; D338-N342 WeakPolarHBondContact O-CB 3.45Å; D338-N342 PolarHBondContact O-N 3.37Å; D338-N342 PolarHBondContact O-ND2 3.3Å; I339-N342 PolarHBondContact O-N 2.88Å; N342-Q345 PolarHBondContact O-N 3.4Å; N342-F346 WeakPolarHBondContact O-CB 3.5Å; N342-F346 PolarHBondContact O-N 3.2Å; N342-L405 HydrophobicContact CB-CD1 3.67Å
343A93.5Very high88.3Confident2 Ų247.2 Ų47.22%0.01725%0.246CC..Hα-helixtrans-64.9-42.7177.100000112.4I339 L340 N341 F346 M347 F402 L403I339-A343 WeakPolarHBondContact O-CB 3.46Å; I339-A343 PolarHBondContact O-N 3.47Å; L340-A343 PolarHBondContact O-N 3.33Å; N341-A343 VanDerWaalsContact C-N 3.33Å; N341-A343 PolarHBondContact O-N 3.36Å; A343-F346 PolarHBondContact O-N 2.93Å; A343-M347 VanDerWaalsContact O-CG 3.32Å; A343-M347 WeakPolarHBondContact O-CG 3.49Å; A343-M347 PolarHBondContact O-N 3.49Å; A343-F402 HydrophobicContact CB-CE1 3.79Å; A343-L403 HydrophobicContact CB-CD1 3.9Å
344Q94.7Very high89.3Confident36 Ų3648.8 Ų48.817%0.16826%0.255CS..Hα-helixtrans-59-48.9174.5-178.3-173.237.500110.9L340 N341 F346 M347 L348 N373 A376 D377L340-Q344 WeakPolarHBondContact O-CB 3.47Å; L340-Q344 PolarHBondContact O-N 2.86Å; N341-Q344 PolarHBondContact O-N 3.21Å; Q344-F346 VanDerWaalsContact C-N 3.35Å; Q344-F346 PolarHBondContact O-N 3.07Å; Q344-M347 PolarHBondContact O-N 3.04Å; Q344-L348 HydrophobicContact CG-CD1 4.31Å; Q344-L348 WeakPolarHBondContact O-CG 3.45Å; Q344-L348 PolarHBondContact O-N 3.06Å; Q344-N373 PolarHBondContact NE2-O 3.36Å; Q344-A376 HydrophobicContact CG-CB 4.2Å; Q344-D377 HydrophobicContact CB-CB 4.42Å; Q344-D377 HydrophobicContact CG-CB 4.04Å
345Q93.5Very high89.5Confident99 Ų9956.6 Ų56.646%0.46329%0.29SS..Hα-helixtrans-62.6-41.4178.4-69.7-56.5-39.700112.3N341 N342 M347 L348 N349N341-Q345 WeakPolarHBondContact O-CG 3.23Å; N341-Q345 PolarHBondContact O-N 3.03Å; N342-Q345 PolarHBondContact O-N 3.4Å; Q345-M347 VanDerWaalsContact C-N 3.33Å; Q345-M347 PolarHBondContact O-N 3.2Å; Q345-L348 PolarHBondContact O-N 3.3Å; Q345-N349 PolarHBondContact O-N 3.41Å; Q345-N349 PolarHBondContact O-ND2 3.22Å
346F93.7Very high88.9Confident61 Ų6158.8 Ų58.827%0.26830%0.304SS..Hα-helixtrans-57.5-46.4173.3-179.4-81.7000111.4N342 A343 Q344 N349 R350 L403 L427N342-F346 WeakPolarHBondContact O-CB 3.5Å; N342-F346 PolarHBondContact O-N 3.2Å; A343-F346 PolarHBondContact O-N 2.93Å; Q344-F346 VanDerWaalsContact C-N 3.35Å; Q344-F346 PolarHBondContact O-N 3.07Å; F346-N349 PolarHBondContact O-N 3.13Å; F346-R350 PolarHBondContact O-N 2.87Å; F346-L403 HydrophobicContact CB-CD1 4.39Å; F346-L403 HydrophobicContact CD1-CB 4.19Å; F346-L403 HydrophobicContact CD1-CD1 3.96Å; F346-L403 HydrophobicContact CD1-CD2 4.38Å; F346-L403 HydrophobicContact CD1-CG 4.41Å; F346-L403 HydrophobicContact CD2-CB 4Å; F346-L403 WeakPolarHBondContact CD2-O 3.47Å; F346-L403 HydrophobicContact CE1-CB 4.37Å; F346-L403 HydrophobicContact CE1-CD2 4.13Å; F346-L403 HydrophobicContact CE2-CB 4.18Å; F346-L403 WeakPolarHBondContact CE2-O 3.45Å; F346-L403 HydrophobicContact CG-CB 4.01Å; F346-L403 HydrophobicContact CG-CD1 4.22Å; F346-L403 HydrophobicContact CZ-CB 4.36Å; F346-L427 HydrophobicContact CE1-CD2 3.93Å; F346-L427 HydrophobicContact CZ-CD2 4.45Å
347M93.4Very high88.3Confident1 Ų160.1 Ų60.11%0.00531%0.313CS..Hα-helixtrans-67.4-40.2179.4-68.8-59.4156.900112.3A343 Q344 Q345 N349 R350 M351 A376 L379 C383 L403 L427A343-M347 VanDerWaalsContact O-CG 3.32Å; A343-M347 WeakPolarHBondContact O-CG 3.49Å; A343-M347 PolarHBondContact O-N 3.49Å; Q344-M347 PolarHBondContact O-N 3.04Å; Q345-M347 VanDerWaalsContact C-N 3.33Å; Q345-M347 PolarHBondContact O-N 3.2Å; M347-N349 VanDerWaalsContact C-N 3.33Å; M347-N349 PolarHBondContact O-N 3.08Å; M347-R350 PolarHBondContact O-N 3.22Å; M347-M351 WeakPolarHBondContact O-CB 3.42Å; M347-M351 VanDerWaalsContact O-CG 3.22Å; M347-M351 WeakPolarHBondContact O-CG 3.38Å; M347-M351 PolarHBondContact O-N 3.5Å; M347-A376 HydrophobicContact CB-CB 3.95Å; M347-A376 WeakPolarHBondContact CB-O 3.43Å; M347-L379 HydrophobicContact CB-CB 4.33Å; M347-L379 HydrophobicContact CG-CB 3.87Å; M347-L379 HydrophobicContact SD-CB 4.08Å; M347-C383 HydrophobicContact CE-CB 4.26Å; M347-C383 WeakPolarHBondContact CE-SG 3.04Å; M347-L403 HydrophobicContact CE-CD1 3.7Å; M347-L403 HydrophobicContact CE-CD2 4.07Å; M347-L427 HydrophobicContact CE-CD2 4.04Å
348L91.8Very high87.3Confident9 Ų965.5 Ų65.55%0.04733%0.329CS..Hα-helixtrans-56.4-47.3173.8-77.7171.1000111.7Q344 Q345 R350 M351 K352 Q372 N373 A376Q344-L348 HydrophobicContact CG-CD1 4.31Å; Q344-L348 WeakPolarHBondContact O-CG 3.45Å; Q344-L348 PolarHBondContact O-N 3.06Å; Q345-L348 PolarHBondContact O-N 3.3Å; L348-R350 VanDerWaalsContact C-N 3.34Å; L348-R350 PolarHBondContact O-N 3.35Å; L348-M351 PolarHBondContact O-N 2.84Å; L348-K352 WeakPolarHBondContact O-CG 3.25Å; L348-K352 PolarHBondContact O-N 3.34Å; L348-Q372 HydrophobicContact CD2-CG 3.86Å; L348-N373 WeakPolarHBondContact CD1-OD1 3.39Å; L348-N373 WeakPolarHBondContact CD2-OD1 3.45Å; L348-A376 HydrophobicContact CB-CB 4.41Å; L348-A376 HydrophobicContact CD2-CB 3.58Å; L348-A376 HydrophobicContact CG-CB 3.52Å
349N91.3Very high86Confident100 Ų10065.7 Ų65.754%0.53533%0.33SS..Hα-helixtrans-64-40.9178.5-70-24.9000111.6Q345 F346 M347 K352 G353Q345-N349 PolarHBondContact O-N 3.41Å; Q345-N349 PolarHBondContact O-ND2 3.22Å; F346-N349 PolarHBondContact O-N 3.13Å; M347-N349 VanDerWaalsContact C-N 3.33Å; M347-N349 PolarHBondContact O-N 3.08Å; N349-K352 PolarHBondContact O-N 2.96Å; N349-G353 PolarHBondContact O-N 3.45Å
350R90.4Very high84.1Confident118 Ų11869.9 Ų69.945%0.44536%0.356SS..Hα-helixtrans-65.2-40.7176.3-167178.3-176.287.52.2112.3F346 M347 L348 G353 S354 L430F346-R350 PolarHBondContact O-N 2.87Å; M347-R350 PolarHBondContact O-N 3.22Å; L348-R350 VanDerWaalsContact C-N 3.34Å; L348-R350 PolarHBondContact O-N 3.35Å; R350-G353 PolarHBondContact O-N 2.87Å; R350-S354 WeakPolarHBondContact O-CB 3.36Å; R350-S354 PolarHBondContact O-N 3.17Å; R350-L430 VanDerWaalsContact NE-CD2 3.28Å
351M88.6Confident81.9Confident10 Ų1079.1 Ų79.15%0.04940%0.399CS..Hα-helixtrans-63.4-44.2177.3-74.217072.900111.3M347 L348 G353 S354 T357 L359 Q372 I375 A376 L379M347-M351 WeakPolarHBondContact O-CB 3.42Å; M347-M351 VanDerWaalsContact O-CG 3.22Å; M347-M351 WeakPolarHBondContact O-CG 3.38Å; M347-M351 PolarHBondContact O-N 3.5Å; L348-M351 PolarHBondContact O-N 2.84Å; M351-G353 VanDerWaalsContact C-N 3.29Å; M351-G353 PolarHBondContact O-N 3.32Å; M351-S354 PolarHBondContact O-N 3.08Å; M351-T357 HydrophobicContact CB-CG2 4.09Å; M351-T357 HydrophobicContact CE-CG2 4.34Å; M351-T357 WeakPolarHBondContact O-CB 3.37Å; M351-T357 PolarHBondContact O-OG1 3.05Å; M351-L359 HydrophobicContact CE-CD1 4.21Å; M351-L359 HydrophobicContact CE-CD2 3.91Å; M351-L359 HydrophobicContact CE-CG 4.36Å; M351-Q372 HydrophobicContact CE-CG 4Å; M351-I375 HydrophobicContact CE-CB 4.08Å; M351-I375 HydrophobicContact CE-CG2 3.63Å; M351-I375 HydrophobicContact SD-CG2 4.18Å; M351-A376 HydrophobicContact SD-CB 3.81Å; M351-L379 HydrophobicContact SD-CD1 4.13Å
352K85.9Confident79.4Confident149 Ų14980.8 Ų80.865%0.64841%0.408SS*.Hα-helixtrans-60.3-35.9176.5-72.6173.7-175.9176.40113.1L348 N349L348-K352 WeakPolarHBondContact O-CG 3.25Å; L348-K352 PolarHBondContact O-N 3.34Å; N349-K352 PolarHBondContact O-N 2.96Å
353G83.6Confident77.1Confident69 Ų6984.6 Ų84.671%0.71142%0.424SS*.Hα-helixtrans-84.4-8.1179.700000115.2N349 R350 M351N349-G353 PolarHBondContact O-N 3.45Å; R350-G353 PolarHBondContact O-N 2.87Å; M351-G353 VanDerWaalsContact C-N 3.29Å; M351-G353 PolarHBondContact O-N 3.32Å
354S83.8Confident74.6Confident47 Ų4789.7 Ų89.733%0.32946%0.459SS..  trans-94.7123.1-173.9156.80000111.7R350 M351 N356 T357R350-S354 WeakPolarHBondContact O-CB 3.36Å; R350-S354 PolarHBondContact O-N 3.17Å; M351-S354 PolarHBondContact O-N 3.08Å; S354-N356 PolarHBondContact O-N 3.03Å; S354-N356 PolarHBondContact OG-N 3.48Å; S354-T357 WeakPolarHBondContact CB-OG1 3.22Å; S354-T357 WeakPolarHBondContact O-CB 3.45Å; S354-T357 PolarHBondContact O-N 3.47Å; S354-T357 PolarHBondContact O-OG1 3.33Å; S354-T357 PolarHBondContact OG-N 3.4Å; S354-T357 PolarHBondContact OG-OG1 3.11Å
355Q77.8Confident72.2Confident199 Ų19992.8 Ų92.893%0.9348%0.48SS*.THydrogen-bonded Turntrans-64.9-17.6173.6-65.3-179.1-1100113.5
356N73Confident69.7Low94 Ų9490.4 Ų90.450%0.50347%0.471SS..THydrogen-bonded Turntrans-93.5-7.6-176.2-67.2-56.4000113.5S354 R358 Y434S354-N356 PolarHBondContact O-N 3.03Å; S354-N356 PolarHBondContact OG-N 3.48Å; N356-R358 PolarHBondContact O-N 3.43Å; N356-Y434 HydrophobicContact CB-CE2 4.22Å
357T75.2Confident67.2Low29 Ų2993.6 Ų93.618%0.17850%0.498CS..  trans-70.5112-178.7-58.10000108.8M351 S354 L359 I575M351-T357 HydrophobicContact CB-CG2 4.09Å; M351-T357 HydrophobicContact CE-CG2 4.34Å; M351-T357 WeakPolarHBondContact O-CB 3.37Å; M351-T357 PolarHBondContact O-OG1 3.05Å; S354-T357 WeakPolarHBondContact CB-OG1 3.22Å; S354-T357 WeakPolarHBondContact O-CB 3.45Å; S354-T357 PolarHBondContact O-N 3.47Å; S354-T357 PolarHBondContact O-OG1 3.33Å; S354-T357 PolarHBondContact OG-N 3.4Å; S354-T357 PolarHBondContact OG-OG1 3.11Å; T357-L359 HydrophobicContact CG2-CD1 3.64Å; T357-L359 HydrophobicContact CG2-CG 3.67Å; T357-L359 PolarHBondContact O-N 3.3Å; T357-I575 WeakPolarHBondContact CG2-OXT 3.36Å
358R65.5Low65.2Low169 Ų16997.3 Ų97.364%0.63852%0.524SS*.  trans-100.268.9-179.5-65.7-177.3-176.6169.72.1110.2N356 T360 S441 I575N356-R358 PolarHBondContact O-N 3.43Å; R358-T360 PolarHBondContact O-N 3.49Å; R358-S441 PolarHBondContact NH1-OG 3.43Å; R358-S441 VanDerWaalsContact NH1-OG 3.15Å; R358-I575 PolarHBondContact N-O 3.13Å
359L61Low63.6Low61 Ų61100.8 Ų100.832%0.31954%0.542SS..  trans-77102.7170.3-68.8162.2000108.1M351 T357 Q361 Q372 I375M351-L359 HydrophobicContact CE-CD1 4.21Å; M351-L359 HydrophobicContact CE-CD2 3.91Å; M351-L359 HydrophobicContact CE-CG 4.36Å; T357-L359 HydrophobicContact CG2-CD1 3.64Å; T357-L359 HydrophobicContact CG2-CG 3.67Å; T357-L359 PolarHBondContact O-N 3.3Å; L359-Q361 PolarHBondContact O-N 3.22Å; L359-Q372 HydrophobicContact CD1-CB 4.31Å; L359-Q372 HydrophobicContact CD1-CG 3.64Å; L359-Q372 VanDerWaalsContact CD1-NE2 3.33Å; L359-Q372 HydrophobicContact CD2-CB 3.93Å; L359-Q372 HydrophobicContact CD2-CG 3.94Å; L359-Q372 HydrophobicContact CG-CG 4.45Å; L359-I375 HydrophobicContact CD2-CD1 4.18Å
360T52.2Low62.5Low94 Ų9498.1 Ų98.158%0.57753%0.527SS*.  trans-61.6121.4168.145.20000108.1R358 N362R358-T360 PolarHBondContact O-N 3.49Å; T360-N362 PolarHBondContact O-N 2.98Å
361Q45.4Very low62.1Low195 Ų19594.1 Ų94.191%0.91152%0.517SS*.SBendtrans-65.915.8172.2-70.4-177.2-17.700113.7L359L359-Q361 PolarHBondContact O-N 3.22Å
362N40.5Very low61.9Low93 Ų9396.5 Ų96.550%0.49753%0.528SS..  trans-11968.4-175.5-72.9-6.4000110.6T360 S364 V365T360-N362 PolarHBondContact O-N 2.98Å; N362-S364 PolarHBondContact O-N 3.1Å; N362-V365 HydrophobicContact CB-CB 4.38Å; N362-V365 HydrophobicContact CB-CG2 3.99Å; N362-V365 PolarHBondContact O-N 2.99Å
363E43.8Very low62Low142 Ų14293.6 Ų93.666%0.66452%0.52SS*.THydrogen-bonded Turntrans-59.2-17.9165.5-68.8-179.1162.600111.8C371E363-C371 WeakPolarHBondContact OE1-CB 3.46Å
364S41.2Very low62.3Low108 Ų10895 Ų9576%0.75551%0.508SS*.THydrogen-bonded Turntrans-81.6-13.5-177.252.20000115.9N362N362-S364 PolarHBondContact O-N 3.1Å
365V44.2Very low62.7Low102 Ų10293.7 Ų93.762%0.61850%0.497SS*.THydrogen-bonded Turntrans-104.8-18.3-169-176.50000113.3N362N362-V365 HydrophobicContact CB-CB 4.38Å; N362-V365 HydrophobicContact CB-CG2 3.99Å; N362-V365 PolarHBondContact O-N 2.99Å
366N40.7Very low63.4Low48 Ų4884.2 Ų84.226%0.25745%0.452SS..  trans-14797.7176-132.2-38.4000110.6S368 L369N366-S368 PolarHBondContact O-N 2.69Å; N366-S368 PolarHBondContact OD1-OG 2.84Å; N366-L369 HydrophobicContact CB-CD1 3.72Å; N366-L369 HydrophobicContact CB-CG 4.23Å; N366-L369 PolarHBondContact O-N 2.94Å
367P42.5Very low64.4Low129 Ų12980.7 Ų80.784%0.83843%0.434SS*.THydrogen-bonded Turntrans-63.8-4.5-179.124.1-32.1000113.7
368S50Low65.3Low78 Ų7880.2 Ų80.255%0.54543%0.429SS..THydrogen-bonded Turntrans-82.8-13.417562.50000114N366N366-S368 PolarHBondContact O-N 2.69Å; N366-S368 PolarHBondContact OD1-OG 2.84Å
369L58.4Low66.7Low83 Ų8372.2 Ų72.244%0.43540%0.399SS..SBendtrans-86.6125.8178.2-73.3161.6000110.2N366N366-L369 HydrophobicContact CB-CD1 3.72Å; N366-L369 HydrophobicContact CB-CG 4.23Å; N366-L369 PolarHBondContact O-N 2.94Å
370L68.9Low68.4Low43 Ų4369.3 Ų69.323%0.22538%0.384CS..PPolyproline II helixtrans-63141.3174-67.2173.7000110.3E374 I375 L572L370-E374 VanDerWaalsContact CA-OE2 3.3Å; L370-E374 WeakPolarHBondContact CA-OE2 3.36Å; L370-E374 HydrophobicContact CB-CB 3.84Å; L370-E374 HydrophobicContact CD2-CB 4.01Å; L370-E374 HydrophobicContact CD2-CG 4.48Å; L370-E374 HydrophobicContact CG-CB 4.35Å; L370-I375 HydrophobicContact CB-CG1 3.74Å; L370-L572 HydrophobicContact CD1-CD2 4.03Å
371C81Confident70.5Confident35 Ų3565.1 Ų65.124%0.23636%0.358CS..PPolyproline II helixtrans-67.2166.1172.979.80000110.9E363 N373 E374 I375E363-C371 WeakPolarHBondContact OE1-CB 3.46Å; C371-N373 PolarHBondContact O-N 3.11Å; C371-E374 PolarHBondContact N-OE2 2.98Å; C371-E374 PolarHBondContact O-N 3.31Å; C371-E374 VanDerWaalsContact SG-CG 3.56Å; C371-I375 PolarHBondContact O-N 3.26Å
372Q85Confident72.9Confident60 Ų6055.9 Ų55.928%0.2832%0.315SS..Hα-helixtrans-55.4-39.4-177.6-176.2177.56.500112.8L348 M351 L359 A376L348-Q372 HydrophobicContact CD2-CG 3.86Å; M351-Q372 HydrophobicContact CE-CG 4Å; L359-Q372 HydrophobicContact CD1-CB 4.31Å; L359-Q372 HydrophobicContact CD1-CG 3.64Å; L359-Q372 VanDerWaalsContact CD1-NE2 3.33Å; L359-Q372 HydrophobicContact CD2-CB 3.93Å; L359-Q372 HydrophobicContact CD2-CG 3.94Å; L359-Q372 HydrophobicContact CG-CG 4.45Å; Q372-A376 WeakPolarHBondContact O-CB 3.15Å; Q372-A376 PolarHBondContact O-N 2.96Å
373N88.8Confident75.6Confident87 Ų8751.4 Ų51.447%0.46529%0.291SS..Hα-helixtrans-68.2-37.2179.6-72.3-31.6000112.3Q344 L348 C371 D377Q344-N373 PolarHBondContact NE2-O 3.36Å; L348-N373 WeakPolarHBondContact CD1-OD1 3.39Å; L348-N373 WeakPolarHBondContact CD2-OD1 3.45Å; C371-N373 PolarHBondContact O-N 3.11Å; N373-D377 WeakPolarHBondContact O-CB 3.34Å; N373-D377 PolarHBondContact O-N 2.94Å
374E90.1Very high78Confident99 Ų9944.7 Ų44.746%0.46326%0.26SS..Hα-helixtrans-70.4-41.1176.7-72173.4143.700111.4L370 C371 A376 D377 H378L370-E374 VanDerWaalsContact CA-OE2 3.3Å; L370-E374 WeakPolarHBondContact CA-OE2 3.36Å; L370-E374 HydrophobicContact CB-CB 3.84Å; L370-E374 HydrophobicContact CD2-CB 4.01Å; L370-E374 HydrophobicContact CD2-CG 4.48Å; L370-E374 HydrophobicContact CG-CB 4.35Å; C371-E374 PolarHBondContact N-OE2 2.98Å; C371-E374 PolarHBondContact O-N 3.31Å; C371-E374 VanDerWaalsContact SG-CG 3.56Å; E374-A376 VanDerWaalsContact C-N 3.34Å; E374-A376 PolarHBondContact O-N 3.43Å; E374-D377 PolarHBondContact O-N 3.16Å; E374-H378 VanDerWaalsContact O-CB 3.28Å; E374-H378 WeakPolarHBondContact O-CB 3.45Å; E374-H378 PolarHBondContact O-N 2.91Å
375I91.4Very high80.7Confident19 Ų1939.8 Ų39.810%0.09723%0.225CC..Hα-helixtrans-60-47.4173.4-65.9173.4000109.9M351 L359 L370 C371 D377 H378 L379 L572M351-I375 HydrophobicContact CE-CB 4.08Å; M351-I375 HydrophobicContact CE-CG2 3.63Å; M351-I375 HydrophobicContact SD-CG2 4.18Å; L359-I375 HydrophobicContact CD2-CD1 4.18Å; L370-I375 HydrophobicContact CB-CG1 3.74Å; C371-I375 PolarHBondContact O-N 3.26Å; I375-D377 PolarHBondContact O-N 2.94Å; I375-H378 PolarHBondContact O-N 3.13Å; I375-L379 HydrophobicContact CG2-CD1 3.96Å; I375-L379 HydrophobicContact CG2-CG 4.32Å; I375-L379 WeakPolarHBondContact O-CB 3.41Å; I375-L379 VanDerWaalsContact O-CG 3.26Å; I375-L379 WeakPolarHBondContact O-CG 3.38Å; I375-L379 PolarHBondContact O-N 2.84Å; I375-L572 HydrophobicContact CG2-CD1 4.12Å
376A93.2Very high83.2Confident0 Ų034.9 Ų34.90%020%0.196CC..Hα-helixtrans-62.9-41.3179.600000112.7Q344 M347 L348 M351 Q372 E374 L379 G380Q344-A376 HydrophobicContact CG-CB 4.2Å; M347-A376 HydrophobicContact CB-CB 3.95Å; M347-A376 WeakPolarHBondContact CB-O 3.43Å; L348-A376 HydrophobicContact CB-CB 4.41Å; L348-A376 HydrophobicContact CD2-CB 3.58Å; L348-A376 HydrophobicContact CG-CB 3.52Å; M351-A376 HydrophobicContact SD-CB 3.81Å; Q372-A376 WeakPolarHBondContact O-CB 3.15Å; Q372-A376 PolarHBondContact O-N 2.96Å; E374-A376 VanDerWaalsContact C-N 3.34Å; E374-A376 PolarHBondContact O-N 3.43Å; A376-L379 PolarHBondContact O-N 2.76Å; A376-G380 PolarHBondContact O-N 2.89Å
377D93.7Very high85.7Confident20 Ų2032.9 Ų32.911%0.10719%0.185CC..Hα-helixtrans-61.8-47.8176-163.446000110.3R176 Q344 N373 E374 I375 L379 G380 V381R176-D377 IonicContact CZ-OD1 2.57Å; R176-D377 IonicContact CZ-OD2 3.35Å; R176-D377 IonicContact NE-OD1 3.48Å; R176-D377 PolarHBondContact NE-OD1 3.03Å; R176-D377 IonicContact NE-OD2 2.72Å; R176-D377 PolarHBondContact NE-OD2 3.49Å; R176-D377 IonicContact NH2-OD1 3.99Å; R176-D377 PolarHBondContact NH2-OD1 3.49Å; R176-D377 IonicContact NH2-OD2 3.54Å; Q344-D377 HydrophobicContact CB-CB 4.42Å; Q344-D377 HydrophobicContact CG-CB 4.04Å; N373-D377 WeakPolarHBondContact O-CB 3.34Å; N373-D377 PolarHBondContact O-N 2.94Å; E374-D377 PolarHBondContact O-N 3.16Å; I375-D377 PolarHBondContact O-N 2.94Å; D377-L379 VanDerWaalsContact C-N 3.32Å; D377-L379 PolarHBondContact O-N 2.83Å; D377-G380 PolarHBondContact O-N 3.5Å; D377-G380 VanDerWaalsContact O-N 3.09Å; D377-V381 WeakPolarHBondContact O-CG2 3.31Å; D377-V381 PolarHBondContact O-N 3.13Å
378H94.6Very high88.2Confident19 Ų1927 Ų279%0.08815%0.147CC..Hα-helixtrans-60-40.2178.4-171.567.5000112.8E374 I375 T382 Q433 R570E374-H378 VanDerWaalsContact O-CB 3.28Å; E374-H378 WeakPolarHBondContact O-CB 3.45Å; E374-H378 PolarHBondContact O-N 2.91Å; I375-H378 PolarHBondContact O-N 3.13Å; H378-T382 VanDerWaalsContact O-CB 3.25Å; H378-T382 WeakPolarHBondContact O-CB 3.46Å; H378-T382 PolarHBondContact O-N 3.38Å; H378-T382 PolarHBondContact O-OG1 3.19Å; H378-Q433 PolarHBondContact NE2-NE2 3.37Å; H378-R570 PolarHBondContact NE2-O 3.23Å
379L95Very high90.4Very high1 Ų123.4 Ų23.41%0.00512%0.121CC..Hα-helixtrans-67.3-38.5175-69.9176.1000112.1M347 M351 I375 A376 D377 T382 C383 L430 Q433 L572 I575M347-L379 HydrophobicContact CB-CB 4.33Å; M347-L379 HydrophobicContact CG-CB 3.87Å; M347-L379 HydrophobicContact SD-CB 4.08Å; M351-L379 HydrophobicContact SD-CD1 4.13Å; I375-L379 HydrophobicContact CG2-CD1 3.96Å; I375-L379 HydrophobicContact CG2-CG 4.32Å; I375-L379 WeakPolarHBondContact O-CB 3.41Å; I375-L379 VanDerWaalsContact O-CG 3.26Å; I375-L379 WeakPolarHBondContact O-CG 3.38Å; I375-L379 PolarHBondContact O-N 2.84Å; A376-L379 PolarHBondContact O-N 2.76Å; D377-L379 VanDerWaalsContact C-N 3.32Å; D377-L379 PolarHBondContact O-N 2.83Å; L379-T382 WeakPolarHBondContact O-CB 3.37Å; L379-T382 PolarHBondContact O-N 2.54Å; L379-C383 PolarHBondContact O-N 2.96Å; L379-C383 PolarHBondContact O-SG 2.9Å; L379-L430 HydrophobicContact CD1-CD1 3.99Å; L379-L430 HydrophobicContact CD2-CD1 3.87Å; L379-L430 HydrophobicContact CG-CD1 4.41Å; L379-Q433 HydrophobicContact CD2-CB 3.92Å; L379-Q433 HydrophobicContact CD2-CG 4.01Å; L379-L572 HydrophobicContact CD2-CD1 3.96Å; L379-L572 HydrophobicContact CG-CD1 4.32Å; L379-I575 HydrophobicContact CD1-CG2 3.93Å; L379-I575 HydrophobicContact CD2-CD1 4.19Å
380G95.2Very high92.1Very high0 Ų019.5 Ų19.50%010%0.101CC..Hα-helixtrans-62.7-49.9175.500000111.7A376 D377 T382 C383 L384A376-G380 PolarHBondContact O-N 2.89Å; D377-G380 PolarHBondContact O-N 3.5Å; D377-G380 VanDerWaalsContact O-N 3.09Å; G380-T382 VanDerWaalsContact C-N 3.34Å; G380-T382 PolarHBondContact O-N 3.21Å; G380-C383 PolarHBondContact O-N 3.17Å; G380-L384 PolarHBondContact O-N 3.25Å; G380-L384 VanDerWaalsContact O-N 3.08Å
381V95.9Very high93.2Very high6 Ų619.1 Ų19.14%0.03610%0.097CC..Hα-helixtrans-58-45.7173.7172.50000110.7R176 L340 D377 C383 L384 V385R176-V381 WeakPolarHBondContact O-CG2 3.34Å; L340-V381 HydrophobicContact CD2-CG2 3.85Å; D377-V381 WeakPolarHBondContact O-CG2 3.31Å; D377-V381 PolarHBondContact O-N 3.13Å; V381-C383 VanDerWaalsContact C-N 3.3Å; V381-C383 PolarHBondContact O-N 3.37Å; V381-L384 PolarHBondContact O-N 3.31Å; V381-V385 HydrophobicContact CG1-CG2 4.22Å; V381-V385 WeakPolarHBondContact O-CG2 3.45Å; V381-V385 PolarHBondContact O-N 2.91Å
382T97Very high93.8Very high1 Ų119.3 Ų19.31%0.00610%0.098CC..Hα-helixtrans-56.6-43.6177.6-65.70000111.7H378 L379 G380 L384 T386 Q433 I569H378-T382 VanDerWaalsContact O-CB 3.25Å; H378-T382 WeakPolarHBondContact O-CB 3.46Å; H378-T382 PolarHBondContact O-N 3.38Å; H378-T382 PolarHBondContact O-OG1 3.19Å; L379-T382 WeakPolarHBondContact O-CB 3.37Å; L379-T382 PolarHBondContact O-N 2.54Å; G380-T382 VanDerWaalsContact C-N 3.34Å; G380-T382 PolarHBondContact O-N 3.21Å; T382-L384 VanDerWaalsContact C-N 3.33Å; T382-L384 PolarHBondContact O-N 3.47Å; T382-T386 WeakPolarHBondContact O-CG2 3.36Å; T382-T386 PolarHBondContact O-N 3.35Å; T382-T386 PolarHBondContact O-OG1 3.39Å; T382-Q433 HydrophobicContact CG2-CG 3.81Å; T382-I569 HydrophobicContact CG2-CD1 4.02Å; T382-I569 HydrophobicContact CG2-CG1 4.44Å; T382-I569 HydrophobicContact CG2-CG2 3.95Å; T382-I569 WeakPolarHBondContact OG1-CG2 3.47Å
383C96.6Very high94.2Very high0 Ų017 Ų170%09%0.087CC..Hα-helixtrans-65.2-37.3176.3-66.30000111.8M347 L379 G380 V381 T386 T387 F402 L403 E426M347-C383 HydrophobicContact CE-CB 4.26Å; M347-C383 WeakPolarHBondContact CE-SG 3.04Å; L379-C383 PolarHBondContact O-N 2.96Å; L379-C383 PolarHBondContact O-SG 2.9Å; G380-C383 PolarHBondContact O-N 3.17Å; V381-C383 VanDerWaalsContact C-N 3.3Å; V381-C383 PolarHBondContact O-N 3.37Å; C383-T386 WeakPolarHBondContact CA-OG1 2.92Å; C383-T386 PolarHBondContact O-OG1 3.46Å; C383-T386 VanDerWaalsContact O-OG1 3.06Å; C383-T387 WeakPolarHBondContact O-CB 3.45Å; C383-T387 PolarHBondContact O-N 3.42Å; C383-T387 PolarHBondContact O-OG1 3.09Å; C383-F402 HydrophobicContact CB-CE2 4.31Å; C383-F402 HydrophobicContact CB-CZ 3.89Å; C383-L403 HydrophobicContact CB-CD2 4.48Å; C383-E426 WeakPolarHBondContact CB-O 3.31Å
384L95.1Very high94.5Very high0 Ų015.9 Ų15.90%08%0.078CC..Hα-helixtrans-70.7-43.2179.1-169.360000111.9L49 F52 L336 I339 L340 G380 V381 T382 T387 M388 F402L49-L384 HydrophobicContact CD2-CD1 4Å; L49-L384 HydrophobicContact CD2-CD2 4.05Å; F52-L384 HydrophobicContact CD1-CD2 4.18Å; F52-L384 HydrophobicContact CD1-CG 4.15Å; F52-L384 HydrophobicContact CD2-CD2 4.08Å; F52-L384 HydrophobicContact CE1-CB 4.26Å; F52-L384 HydrophobicContact CE1-CD2 3.87Å; F52-L384 HydrophobicContact CE1-CG 3.56Å; F52-L384 HydrophobicContact CE2-CD2 3.76Å; F52-L384 HydrophobicContact CE2-CG 4.26Å; F52-L384 HydrophobicContact CG-CD2 4.29Å; F52-L384 HydrophobicContact CZ-CB 3.98Å; F52-L384 HydrophobicContact CZ-CD2 3.65Å; F52-L384 HydrophobicContact CZ-CG 3.62Å; L336-L384 HydrophobicContact CD1-CD2 3.96Å; I339-L384 HydrophobicContact CG2-CD2 4.29Å; L340-L384 HydrophobicContact CD2-CD2 3.89Å; G380-L384 PolarHBondContact O-N 3.25Å; G380-L384 VanDerWaalsContact O-N 3.08Å; V381-L384 PolarHBondContact O-N 3.31Å; T382-L384 VanDerWaalsContact C-N 3.33Å; T382-L384 PolarHBondContact O-N 3.47Å; L384-T387 WeakPolarHBondContact O-CB 3.47Å; L384-T387 PolarHBondContact O-N 3.34Å; L384-M388 HydrophobicContact CD1-CE 3.72Å; L384-M388 HydrophobicContact CG-CE 4.35Å; L384-M388 WeakPolarHBondContact O-CG 3.45Å; L384-M388 PolarHBondContact O-N 3.17Å; L384-F402 HydrophobicContact CB-CE1 3.99Å; L384-F402 HydrophobicContact CB-CE2 4.25Å; L384-F402 HydrophobicContact CB-CZ 3.62Å; L384-F402 HydrophobicContact CD1-CD1 4.07Å; L384-F402 HydrophobicContact CD1-CD2 4.01Å; L384-F402 HydrophobicContact CD1-CE1 3.92Å; L384-F402 HydrophobicContact CD1-CE2 3.89Å; L384-F402 HydrophobicContact CD1-CG 4.1Å; L384-F402 HydrophobicContact CD1-CZ 3.86Å; L384-F402 HydrophobicContact CG-CE1 4.42Å; L384-F402 HydrophobicContact CG-CZ 4.32Å
385V96.6Very high94.6Very high5 Ų516.5 Ų16.53%0.038%0.08CC..Hα-helixtrans-57.9-50.4174.2173.30000110.6F52 V56 V381 T387 M388 F389 M567 I569F52-V385 HydrophobicContact CZ-CG2 3.88Å; V56-V385 HydrophobicContact CG1-CG2 4.03Å; V381-V385 HydrophobicContact CG1-CG2 4.22Å; V381-V385 WeakPolarHBondContact O-CG2 3.45Å; V381-V385 PolarHBondContact O-N 2.91Å; V385-T387 VanDerWaalsContact C-N 3.27Å; V385-T387 PolarHBondContact O-N 3.13Å; V385-M388 WeakPolarHBondContact O-CB 3.5Å; V385-M388 PolarHBondContact O-N 3.4Å; V385-M388 VanDerWaalsContact O-N 3.08Å; V385-F389 HydrophobicContact CG1-CD2 3.82Å; V385-F389 HydrophobicContact CG1-CE2 3.54Å; V385-F389 HydrophobicContact CG1-CZ 4.26Å; V385-F389 PolarHBondContact O-N 3.37Å; V385-F389 VanDerWaalsContact O-N 3.1Å; V385-M567 HydrophobicContact CG1-CB 4.5Å; V385-M567 WeakPolarHBondContact CG1-O 3.4Å; V385-I569 HydrophobicContact CB-CD1 4.18Å; V385-I569 HydrophobicContact CB-CG1 4.27Å; V385-I569 HydrophobicContact CG1-CD1 3.86Å; V385-I569 HydrophobicContact CG1-CG1 4.03Å
386T96.6Very high94.6Very high0 Ų019.1 Ų19.10%010%0.098CC..Hα-helixtrans-65.5-31179.850.80000112.6T382 C383 F389 A390 C428 G429 L432 L518 I569T382-T386 WeakPolarHBondContact O-CG2 3.36Å; T382-T386 PolarHBondContact O-N 3.35Å; T382-T386 PolarHBondContact O-OG1 3.39Å; C383-T386 WeakPolarHBondContact CA-OG1 2.92Å; C383-T386 PolarHBondContact O-OG1 3.46Å; C383-T386 VanDerWaalsContact O-OG1 3.06Å; T386-F389 PolarHBondContact O-N 3.27Å; T386-A390 WeakPolarHBondContact O-CB 3.32Å; T386-A390 PolarHBondContact O-N 3.19Å; T386-C428 VanDerWaalsContact CB-SG 3.59Å; T386-C428 PolarHBondContact OG1-SG 3.09Å; T386-G429 WeakPolarHBondContact OG1-CA 3.45Å; T386-G429 PolarHBondContact OG1-N 2.97Å; T386-L432 HydrophobicContact CG2-CD1 4.28Å; T386-L518 HydrophobicContact CG2-CD1 3.81Å; T386-L518 VanDerWaalsContact O-CD2 3.23Å; T386-L518 WeakPolarHBondContact O-CD2 3.17Å; T386-I569 HydrophobicContact CG2-CD1 4Å
387T94.6Very high94.4Very high6 Ų619.2 Ų19.24%0.03710%0.098CC..Hα-helixtrans-63.8-39.5171.1-610000111.9C383 L384 V385 A390 L399C383-T387 WeakPolarHBondContact O-CB 3.45Å; C383-T387 PolarHBondContact O-N 3.42Å; C383-T387 PolarHBondContact O-OG1 3.09Å; L384-T387 WeakPolarHBondContact O-CB 3.47Å; L384-T387 PolarHBondContact O-N 3.34Å; V385-T387 VanDerWaalsContact C-N 3.27Å; V385-T387 PolarHBondContact O-N 3.13Å; T387-A390 WeakPolarHBondContact O-CB 3.4Å; T387-A390 PolarHBondContact O-N 3.39Å; T387-L399 HydrophobicContact CG2-CD1 3.98Å; T387-L399 HydrophobicContact CG2-CD2 4.43Å
388M94.3Very high94.1Very high4 Ų422.8 Ų22.82%0.0212%0.117CC..Hα-helixtrans-66.9-36.1175.7-63.3-56.6134.100112.6L49 F52 R53 V56 I323 L384 V385 I397 L399L49-M388 HydrophobicContact CD2-CE 4.34Å; F52-M388 HydrophobicContact CD1-CE 4.39Å; F52-M388 HydrophobicContact CD1-CG 3.72Å; F52-M388 HydrophobicContact CD1-SD 4.36Å; F52-M388 HydrophobicContact CE1-CG 3.59Å; R53-M388 HydrophobicContact CB-SD 4.32Å; V56-M388 HydrophobicContact CG2-CB 4.15Å; V56-M388 HydrophobicContact CG2-CG 4.29Å; I323-M388 HydrophobicContact CD1-CE 4.14Å; I323-M388 HydrophobicContact CD1-SD 3.73Å; L384-M388 HydrophobicContact CD1-CE 3.72Å; L384-M388 HydrophobicContact CG-CE 4.35Å; L384-M388 WeakPolarHBondContact O-CG 3.45Å; L384-M388 PolarHBondContact O-N 3.17Å; V385-M388 WeakPolarHBondContact O-CB 3.5Å; V385-M388 PolarHBondContact O-N 3.4Å; V385-M388 VanDerWaalsContact O-N 3.08Å; M388-I397 HydrophobicContact SD-CD1 4.17Å; M388-L399 HydrophobicContact CE-CD2 3.99Å
389F96.2Very high93.7Very high3 Ų322.5 Ų22.51%0.01312%0.117CC..Hα-helixtrans-88.8-4.3-179.3-60.3-21.8000113.9V56 F60 V385 T386 Y391 P514 H515 L518 M567V56-F389 HydrophobicContact CB-CE1 4.37Å; V56-F389 HydrophobicContact CB-CZ 4.03Å; V56-F389 HydrophobicContact CG2-CE1 3.83Å; V56-F389 HydrophobicContact CG2-CZ 4Å; V56-F389 WeakPolarHBondContact O-CZ 3Å; F60-F389 HydrophobicContact CB-CZ 4.08Å; V385-F389 HydrophobicContact CG1-CD2 3.82Å; V385-F389 HydrophobicContact CG1-CE2 3.54Å; V385-F389 HydrophobicContact CG1-CZ 4.26Å; V385-F389 PolarHBondContact O-N 3.37Å; V385-F389 VanDerWaalsContact O-N 3.1Å; T386-F389 PolarHBondContact O-N 3.27Å; F389-Y391 PolarHBondContact O-N 3.45Å; F389-Y391 VanDerWaalsContact O-N 3.15Å; F389-P514 HydrophobicContact CB-CB 4.22Å; F389-P514 HydrophobicContact CB-CG 4.44Å; F389-P514 HydrophobicContact CD1-CB 3.66Å; F389-P514 HydrophobicContact CD1-CG 3.31Å; F389-P514 HydrophobicContact CD2-CB 3.72Å; F389-P514 HydrophobicContact CD2-CG 4.32Å; F389-P514 HydrophobicContact CE1-CB 3.83Å; F389-P514 HydrophobicContact CE1-CG 3.44Å; F389-P514 VanDerWaalsContact CE1-CG 3.44Å; F389-P514 HydrophobicContact CE2-CB 3.87Å; F389-P514 HydrophobicContact CE2-CG 4.42Å; F389-P514 HydrophobicContact CG-CB 3.6Å; F389-P514 HydrophobicContact CG-CG 3.79Å; F389-P514 HydrophobicContact CZ-CB 3.92Å; F389-P514 HydrophobicContact CZ-CG 4.01Å; F389-H515 WeakPolarHBondContact O-CA 3.41Å; F389-H515 PolarHBondContact O-ND1 2.57Å; F389-H515 VanDerWaalsContact O-ND1 3.09Å; F389-L518 VanDerWaalsContact C-CD2 3.47Å; F389-L518 HydrophobicContact CB-CB 4.4Å; F389-L518 HydrophobicContact CB-CD2 3.98Å; F389-M567 HydrophobicContact CD2-CB 4.07Å; F389-M567 HydrophobicContact CD2-CG 3.84Å; F389-M567 HydrophobicContact CD2-SD 4.03Å; F389-M567 HydrophobicContact CE2-CB 3.84Å; F389-M567 HydrophobicContact CE2-CG 4.01Å
390A94.5Very high93Very high2 Ų224.9 Ų24.92%0.01713%0.128CC..THydrogen-bonded Turntrans-62.2-19.4174.700000112.7T386 T387 V424 H515 L518T386-A390 WeakPolarHBondContact O-CB 3.32Å; T386-A390 PolarHBondContact O-N 3.19Å; T387-A390 WeakPolarHBondContact O-CB 3.4Å; T387-A390 PolarHBondContact O-N 3.39Å; A390-V424 HydrophobicContact CB-CB 4.24Å; A390-V424 HydrophobicContact CB-CG2 4.39Å; A390-H515 PolarHBondContact O-CE1 3.09Å; A390-H515 PolarHBondContact O-ND1 3.08Å; A390-L518 HydrophobicContact CB-CD2 4.35Å
391Y91Very high92.6Very high35 Ų3527.1 Ų27.114%0.13714%0.141CC..SBendtrans-118.8150.9178.1-54.8-84.7000110.6F389 R393 K395 I397 S422 P423F389-Y391 PolarHBondContact O-N 3.45Å; F389-Y391 VanDerWaalsContact O-N 3.15Å; Y391-R393 PolarHBondContact O-N 2.91Å; Y391-K395 HydrophobicContact CD1-CD 4.17Å; Y391-I397 HydrophobicContact CD2-CD1 3.92Å; Y391-I397 HydrophobicContact CD2-CG1 3.7Å; Y391-I397 HydrophobicContact CD2-CG2 4.49Å; Y391-I397 HydrophobicContact CE2-CG1 4.33Å; Y391-I397 HydrophobicContact CE2-CG2 4.33Å; Y391-I397 HydrophobicContact CG-CG1 4.16Å; Y391-S422 VanDerWaalsContact OH-CA 3.25Å; Y391-S422 WeakPolarHBondContact OH-CA 3.24Å; Y391-S422 VanDerWaalsContact OH-CB 3.26Å; Y391-S422 WeakPolarHBondContact OH-CB 3.18Å; Y391-S422 PolarHBondContact OH-OG 2.93Å; Y391-P423 HydrophobicContact CE1-CG 4.31Å
392P93.9Very high92.3Very high39 Ų3927.1 Ų27.125%0.25314%0.141SC..  trans-52.3140.4169.1-26.734.9000111.6Q394 K395P392-Q394 PolarHBondContact O-N 3.04Å; P392-K395 WeakPolarHBondContact O-CB 3.47Å; P392-K395 PolarHBondContact O-N 3.31Å
393R94.8Very high91.9Very high12 Ų1227.5 Ų27.55%0.04514%0.143CC..THydrogen-bonded Turntrans-50.6-38.3-171.8173.9175.146.794.8-5.1113.8R53 T57 I318 P319 F320 G321 Y391 K511 Y512 E513R53-R393 PolarHBondContact NH2-O 3.23Å; T57-R393 HydrophobicContact CG2-CG 3.91Å; I318-R393 VanDerWaalsContact C-NH1 3.34Å; I318-R393 VanDerWaalsContact CG2-CZ 3.46Å; P319-R393 VanDerWaalsContact N-NH1 3.16Å; P319-R393 WeakPolarHBondContact O-CG 3.48Å; P319-R393 PolarHBondContact O-NH1 3.13Å; F320-R393 CarbonylContact C-O 3.53Å; F320-R393 VanDerWaalsContact CA-O 3.24Å; F320-R393 WeakPolarHBondContact CA-O 3.44Å; F320-R393 HydrophobicContact CB-CG 3.6Å; F320-R393 WeakPolarHBondContact CB-O 3.35Å; G321-R393 PolarHBondContact N-O 3.42Å; Y391-R393 PolarHBondContact O-N 2.91Å; R393-K511 PolarHBondContact NH2-O 3.21Å; R393-K511 VanDerWaalsContact NH2-O 3.1Å; R393-Y512 PolarHBondContact NE-O 3.23Å; R393-E513 VanDerWaalsContact CB-OE2 3.32Å; R393-E513 WeakPolarHBondContact CB-OE2 3.23Å; R393-E513 VanDerWaalsContact N-CD 3.32Å; R393-E513 PolarHBondContact N-OE1 3.49Å; R393-E513 PolarHBondContact N-OE2 2.74Å
394Q93.4Very high91.3Very high62 Ų6230.5 Ų30.529%0.2917%0.174SC..THydrogen-bonded Turntrans-82.5-14.3-177.5-62.9-170.840.200114P319 G321 P392P319-Q394 HydrophobicContact CG-CG 4.22Å; G321-Q394 VanDerWaalsContact CA-O 3.24Å; G321-Q394 WeakPolarHBondContact CA-O 3.26Å; P392-Q394 PolarHBondContact O-N 3.04Å
395K92.7Very high90.8Very high113 Ų11333.7 Ų33.749%0.49119%0.19SC..SBendtrans-72.7128.9-179.1-172.3172.9178.8174.50110.8R53 Y391 P392R53-K395 PolarHBondContact NH1-O 3.48Å; R53-K395 PolarHBondContact NH2-O 3Å; Y391-K395 HydrophobicContact CD1-CD 4.17Å; P392-K395 WeakPolarHBondContact O-CB 3.47Å; P392-K395 PolarHBondContact O-N 3.31Å
396P91.7Very high90.1Very high74 Ų7436.1 Ų36.148%0.48121%0.206SC..  trans-58.8141171-23.934.2000111.4R322 M324R322-P396 CarbonylContact O-C 3.56Å; R322-P396 VanDerWaalsContact O-CA 3.22Å; R322-P396 WeakPolarHBondContact O-CA 3.29Å; M324-P396 HydrophobicContact CG-CB 4.13Å; M324-P396 HydrophobicContact SD-CB 4.4Å
397I89.9Confident89.4Confident2 Ų236.2 Ų36.21%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-108.1124.4178.1-66.6169.6000108R53 R322 I323 M324 M388 Y391 L399R53-I397 VanDerWaalsContact NH1-CG1 3.29Å; R322-I397 PolarHBondContact O-N 2.98Å; I323-I397 CarbonylContact C-O 3.6Å; I323-I397 WeakPolarHBondContact CA-O 3.47Å; I323-I397 HydrophobicContact CG1-CB 4.48Å; M324-I397 PolarHBondContact N-O 3.41Å; M388-I397 HydrophobicContact SD-CD1 4.17Å; Y391-I397 HydrophobicContact CD2-CD1 3.92Å; Y391-I397 HydrophobicContact CD2-CG1 3.7Å; Y391-I397 HydrophobicContact CD2-CG2 4.49Å; Y391-I397 HydrophobicContact CE2-CG1 4.33Å; Y391-I397 HydrophobicContact CE2-CG2 4.33Å; Y391-I397 HydrophobicContact CG-CG1 4.16Å; I397-L399 HydrophobicContact CG2-CB 4.1Å
398N87Confident88.5Confident94 Ų9436.9 Ų36.950%0.50321%0.211SC..EExtended strand (participates in β ladder)trans-98.996.8170.1-174.35.8000108.5M324M324-N398 HydrophobicContact CB-CB 4.33Å
399L85.1Confident87.2Confident14 Ų1439.7 Ų39.77%0.07323%0.231CC..  trans-110.6103.2179.3-16670.5000108.1L49 T387 M388 I397 T401 F402 V407L49-L399 HydrophobicContact CD1-CD2 3.85Å; T387-L399 HydrophobicContact CG2-CD1 3.98Å; T387-L399 HydrophobicContact CG2-CD2 4.43Å; M388-L399 HydrophobicContact CE-CD2 3.99Å; I397-L399 HydrophobicContact CG2-CB 4.1Å; L399-T401 WeakPolarHBondContact CD1-O 3.45Å; L399-T401 WeakPolarHBondContact CG-O 3.49Å; L399-F402 HydrophobicContact CD2-CB 4.31Å; L399-V407 WeakPolarHBondContact O-CG2 3.05Å
400Q81.5Confident85.4Confident51 Ų5143.3 Ų43.324%0.23825%0.253CS..SBendtrans-95.3-29.6177.4-66.9-177.5-15.800112V407 C415Q400-V407 PolarHBondContact O-N 3.36Å; Q400-C415 VanDerWaalsContact OE1-CB 3.25Å; Q400-C415 PolarHBondContact OE1-SG 3.42Å; Q400-C415 VanDerWaalsContact OE1-SG 3.37Å
401T85.5Confident83.4Confident46 Ų4647.8 Ų47.828%0.28228%0.282SS..EExtended strand (participates in β ladder)trans-130.7155.3174.957.60000109.6L399 L405L399-T401 WeakPolarHBondContact CD1-O 3.45Å; L399-T401 WeakPolarHBondContact CG-O 3.49Å; T401-L405 CarbonylContact C-O 3.51Å; T401-L405 WeakPolarHBondContact CA-O 3.43Å; T401-L405 WeakPolarHBondContact CB-O 3.18Å
402F90.1Very high81.4Confident6 Ų650.2 Ų50.23%0.02630%0.301CS..EExtended strand (participates in β ladder)trans-140.4126.2168.4177-116000108.5I339 A343 C383 L384 L399 G404 L405 V407I339-F402 HydrophobicContact CG2-CD1 3.9Å; A343-F402 HydrophobicContact CB-CE1 3.79Å; C383-F402 HydrophobicContact CB-CE2 4.31Å; C383-F402 HydrophobicContact CB-CZ 3.89Å; L384-F402 HydrophobicContact CB-CE1 3.99Å; L384-F402 HydrophobicContact CB-CE2 4.25Å; L384-F402 HydrophobicContact CB-CZ 3.62Å; L384-F402 HydrophobicContact CD1-CD1 4.07Å; L384-F402 HydrophobicContact CD1-CD2 4.01Å; L384-F402 HydrophobicContact CD1-CE1 3.92Å; L384-F402 HydrophobicContact CD1-CE2 3.89Å; L384-F402 HydrophobicContact CD1-CG 4.1Å; L384-F402 HydrophobicContact CD1-CZ 3.86Å; L384-F402 HydrophobicContact CG-CE1 4.42Å; L384-F402 HydrophobicContact CG-CZ 4.32Å; L399-F402 HydrophobicContact CD2-CB 4.31Å; F402-G404 PolarHBondContact O-N 3.32Å; F402-L405 PolarHBondContact N-O 2.77Å; F402-L405 PolarHBondContact O-N 3.32Å; F402-V407 HydrophobicContact CB-CG1 3.64Å
403L89.8Confident79Confident10 Ų1057.1 Ų57.15%0.05233%0.332CS..THydrogen-bonded Turntrans53.436.9-173.4-57.8173.3000112.6A343 F346 M347 C383 L405 E426 L427A343-L403 HydrophobicContact CB-CD1 3.9Å; F346-L403 HydrophobicContact CB-CD1 4.39Å; F346-L403 HydrophobicContact CD1-CB 4.19Å; F346-L403 HydrophobicContact CD1-CD1 3.96Å; F346-L403 HydrophobicContact CD1-CD2 4.38Å; F346-L403 HydrophobicContact CD1-CG 4.41Å; F346-L403 HydrophobicContact CD2-CB 4Å; F346-L403 WeakPolarHBondContact CD2-O 3.47Å; F346-L403 HydrophobicContact CE1-CB 4.37Å; F346-L403 HydrophobicContact CE1-CD2 4.13Å; F346-L403 HydrophobicContact CE2-CB 4.18Å; F346-L403 WeakPolarHBondContact CE2-O 3.45Å; F346-L403 HydrophobicContact CG-CB 4.01Å; F346-L403 HydrophobicContact CG-CD1 4.22Å; F346-L403 HydrophobicContact CZ-CB 4.36Å; M347-L403 HydrophobicContact CE-CD1 3.7Å; M347-L403 HydrophobicContact CE-CD2 4.07Å; C383-L403 HydrophobicContact CB-CD2 4.48Å; L403-L405 PolarHBondContact O-N 3.4Å; L403-E426 WeakPolarHBondContact CA-OE2 3.39Å; L403-E426 HydrophobicContact CD2-CB 4.18Å; L403-E426 PolarHBondContact N-OE2 3.23Å; L403-L427 HydrophobicContact CD2-CD2 3.69Å; L403-L427 HydrophobicContact CD2-CG 4.5Å
404G83.8Confident76.4Confident63 Ų6365.5 Ų65.565%0.64937%0.369SS*.THydrogen-bonded Turntrans76.6-0.3-179.200000115.4F402F402-G404 PolarHBondContact O-N 3.32Å
405L84.1Confident73.7Confident66 Ų6663.9 Ų63.935%0.34636%0.364SS..EExtended strand (participates in β ladder)trans-101.9143.4177.3-64.6172000110.4N342 T401 F402 L403N342-L405 HydrophobicContact CB-CD1 3.67Å; T401-L405 CarbonylContact C-O 3.51Å; T401-L405 WeakPolarHBondContact CA-O 3.43Å; T401-L405 WeakPolarHBondContact CB-O 3.18Å; F402-L405 PolarHBondContact N-O 2.77Å; F402-L405 PolarHBondContact O-N 3.32Å; L403-L405 PolarHBondContact O-N 3.4Å
406P82.2Confident71.1Confident56 Ų5662.9 Ų62.936%0.36437%0.371SS..EExtended strand (participates in β ladder)trans-63.3142.3177.627.5-34.1000110.6L334L334-P406 WeakPolarHBondContact CD1-O 3.25Å
407V81.7Confident68.5Low2 Ų268 Ų681%0.01239%0.388CS..SBendtrans-994.3171.1-57.60000112.8L49 L334 I339 L399 Q400 F402L49-V407 HydrophobicContact CD1-CB 4.14Å; L49-V407 HydrophobicContact CD1-CG1 4.31Å; L49-V407 HydrophobicContact CD1-CG2 4.18Å; L334-V407 WeakPolarHBondContact CB-O 3.22Å; L334-V407 PolarHBondContact N-O 3.47Å; I339-V407 HydrophobicContact CD1-CB 4.08Å; I339-V407 HydrophobicContact CD1-CG1 4.21Å; I339-V407 HydrophobicContact CG1-CG1 4.44Å; L399-V407 WeakPolarHBondContact O-CG2 3.05Å; Q400-V407 PolarHBondContact O-N 3.36Å; F402-V407 HydrophobicContact CB-CG1 3.64Å
408T75.9Confident66Low20 Ų2073.8 Ų73.812%0.12342%0.419CS..SBendtrans-118.6146.3177.6570000110.7T410T408-T410 VanDerWaalsContact C-N 3.28Å; T408-T410 PolarHBondContact O-N 2.94Å; T408-T410 PolarHBondContact OG1-O 3.18Å
409S66.8Low63.9Low64 Ų6474.4 Ų74.445%0.44842%0.421SS..SBendtrans-64.6-29.6178.338.80000113.1G331G331-S409 PolarHBondContact O-OG 2.95Å
410T58.9Low61.9Low78 Ų7883.3 Ų83.348%0.47946%0.46SS..SBendtrans-97.8116.1170.445.30000109.6T408 T412T408-T410 VanDerWaalsContact C-N 3.28Å; T408-T410 PolarHBondContact O-N 2.94Å; T408-T410 PolarHBondContact OG1-O 3.18Å; T410-T412 PolarHBondContact O-N 3.36Å
411P51.2Low60.5Low96 Ų9686 Ų8662%0.62348%0.484SS*.  trans-66.2107167.4-10.224.4000106.9M413P411-M413 VanDerWaalsContact C-N 3.29Å; P411-M413 PolarHBondContact O-N 2.92Å
412T48.8Very low59.3Low87 Ų8785.5 Ų85.553%0.53448%0.482SS..  trans-6896.1167.541.50000107T410 K414T410-T412 PolarHBondContact O-N 3.36Å; T412-K414 PolarHBondContact O-N 3.46Å
413M43.9Very low58.1Low183 Ų18389.9 Ų89.990%0.90151%0.512SS*.SBendtrans-62.515.5179.3-80.1-161.980.300114.5P411P411-M413 VanDerWaalsContact C-N 3.29Å; P411-M413 PolarHBondContact O-N 2.92Å
414K40.2Very low57.4Low188 Ų18890.2 Ų90.282%0.81751%0.514SS*.  trans-141.263.1-176.4-68.6-172.3178.5-178.70111.6T412T412-K414 PolarHBondContact O-N 3.46Å
415C37.3Very low57.5Low28 Ų2890.9 Ų90.919%0.18951%0.509CS..  trans-152.734.1172.5-104.70000115Q400 H417Q400-C415 VanDerWaalsContact OE1-CB 3.25Å; Q400-C415 PolarHBondContact OE1-SG 3.42Å; Q400-C415 VanDerWaalsContact OE1-SG 3.37Å; C415-H417 PolarHBondContact O-N 2.98Å
416S37.1Very low57.5Low93 Ų9390 Ų9065%0.6550%0.503SS*.THydrogen-bonded Turntrans-65.6-21.7164.950.90000112.6
417H37.9Very low58Low180 Ų18089 Ų8983%0.83349%0.494SS*.THydrogen-bonded Turntrans-104.20.8-173.1-66.6-67.5000115.5C415C415-H417 PolarHBondContact O-N 2.98Å
418L37.5Very low58.5Low124 Ų12489.2 Ų89.265%0.64950%0.496SS*.  trans-117.27.3-179.7-85.3161.8000114.1K420L418-K420 PolarHBondContact O-N 2.87Å
419L42.6Very low59.4Low107 Ų10788.3 Ų88.356%0.5649%0.49SS*.  trans-66.483.6163.1-70160.5000107.6S421L419-S421 PolarHBondContact O-N 3.33Å
420K44.2Very low60.7Low202 Ų20286.5 Ų86.588%0.87848%0.475SS*.  trans-53.3105.9152.5-83.8-173.7177.8-179.50104.2L418 S422L418-K420 PolarHBondContact O-N 2.87Å; K420-S422 PolarHBondContact O-N 3.25Å
421S51.1Low62.4Low106 Ų10686 Ų8674%0.74147%0.472SS*.  trans-49.7119.1-179.651.80000106.8L419L419-S421 PolarHBondContact O-N 3.33Å
422S61.3Low64.6Low36 Ų3681.4 Ų81.425%0.25244%0.442SS..  trans-47.3134.4167.5172.90000107.2Y391 K420 V424Y391-S422 VanDerWaalsContact OH-CA 3.25Å; Y391-S422 WeakPolarHBondContact OH-CA 3.24Å; Y391-S422 VanDerWaalsContact OH-CB 3.26Å; Y391-S422 WeakPolarHBondContact OH-CB 3.18Å; Y391-S422 PolarHBondContact OH-OG 2.93Å; K420-S422 PolarHBondContact O-N 3.25Å; S422-V424 WeakPolarHBondContact CB-O 3.31Å; S422-V424 PolarHBondContact O-N 3.46Å; S422-V424 PolarHBondContact OG-N 2.84Å; S422-V424 PolarHBondContact OG-O 3.09Å
423P63.3Low66.8Low99 Ų9977.2 Ų77.264%0.64342%0.417SS*.SBendtrans-58.8-17.5179.625.4-33.7000111.4Y391Y391-P423 HydrophobicContact CE1-CG 4.31Å
424V75.9Confident69.2Low17 Ų1772.4 Ų72.410%0.10339%0.389CS..SBendtrans-126.4136.2-178.7-173.80000109.6A390 S422 C428 L522A390-V424 HydrophobicContact CB-CB 4.24Å; A390-V424 HydrophobicContact CB-CG2 4.39Å; S422-V424 WeakPolarHBondContact CB-O 3.31Å; S422-V424 PolarHBondContact O-N 3.46Å; S422-V424 PolarHBondContact OG-N 2.84Å; S422-V424 PolarHBondContact OG-O 3.09Å; V424-C428 HydrophobicContact CG1-CB 3.28Å; V424-C428 WeakPolarHBondContact CG1-SG 3.43Å; V424-L522 HydrophobicContact CG1-CD1 3.67Å; V424-L522 HydrophobicContact CG2-CD1 4.08Å
425S84.9Confident71.9Confident77 Ų7763.6 Ų63.654%0.53835%0.351SS..  trans-56.2140171.9175.70000111.5L427 C428S425-L427 PolarHBondContact O-N 3.43Å; S425-L427 VanDerWaalsContact O-N 3.07Å; S425-L427 PolarHBondContact OG-N 3.13Å; S425-C428 WeakPolarHBondContact O-CB 3.3Å; S425-C428 PolarHBondContact O-N 2.89Å; S425-C428 PolarHBondContact O-SG 3.17Å
426E85.6Confident74.7Confident46 Ų4662.8 Ų62.822%0.21535%0.345CS..THydrogen-bonded Turntrans-60.2-18173-62.5177.5168.100112.4C383 L403 C428C383-E426 WeakPolarHBondContact CB-O 3.31Å; L403-E426 WeakPolarHBondContact CA-OE2 3.39Å; L403-E426 HydrophobicContact CD2-CB 4.18Å; L403-E426 PolarHBondContact N-OE2 3.23Å; E426-C428 VanDerWaalsContact C-N 3.34Å
427L91.4Very high77.4Confident36 Ų3658.7 Ų58.719%0.18832%0.317CS..THydrogen-bonded Turntrans-90.19.6174.8-61.6175.1000113.6F346 M347 L403 S425 G429 L430 T431F346-L427 HydrophobicContact CE1-CD2 3.93Å; F346-L427 HydrophobicContact CZ-CD2 4.45Å; M347-L427 HydrophobicContact CE-CD2 4.04Å; L403-L427 HydrophobicContact CD2-CD2 3.69Å; L403-L427 HydrophobicContact CD2-CG 4.5Å; S425-L427 PolarHBondContact O-N 3.43Å; S425-L427 VanDerWaalsContact O-N 3.07Å; S425-L427 PolarHBondContact OG-N 3.13Å; L427-G429 VanDerWaalsContact C-N 3.32Å; L427-G429 PolarHBondContact O-N 3.22Å; L427-L430 HydrophobicContact CD2-CD2 4.46Å; L427-L430 WeakPolarHBondContact O-CB 3.48Å; L427-L430 PolarHBondContact O-N 3.02Å; L427-T431 PolarHBondContact O-N 3.39Å; L427-T431 VanDerWaalsContact O-N 3.13Å; L427-T431 PolarHBondContact O-OG1 3.02Å
428C92.8Very high80.1Confident7 Ų753.1 Ų53.15%0.04729%0.288CS..Hα-helixtrans-62.7-39.2-179.665.40000112.3T386 V424 S425 E426 L430 T431 L432 L522T386-C428 VanDerWaalsContact CB-SG 3.59Å; T386-C428 PolarHBondContact OG1-SG 3.09Å; V424-C428 HydrophobicContact CG1-CB 3.28Å; V424-C428 WeakPolarHBondContact CG1-SG 3.43Å; S425-C428 WeakPolarHBondContact O-CB 3.3Å; S425-C428 PolarHBondContact O-N 2.89Å; S425-C428 PolarHBondContact O-SG 3.17Å; E426-C428 VanDerWaalsContact C-N 3.34Å; C428-L430 VanDerWaalsContact C-N 3.31Å; C428-L430 PolarHBondContact O-N 3.35Å; C428-T431 WeakPolarHBondContact O-CA 3.42Å; C428-T431 VanDerWaalsContact O-CB 3.27Å; C428-T431 WeakPolarHBondContact O-CB 3.47Å; C428-T431 PolarHBondContact O-N 2.7Å; C428-L432 WeakPolarHBondContact O-CG 3.39Å; C428-L432 PolarHBondContact O-N 3.07Å; C428-L522 HydrophobicContact CB-CD2 3.72Å
429G94.1Very high82.9Confident0 Ų047.4 Ų47.40%026%0.258CS..Hα-helixtrans-58.5-40.6174.200000113.1T386 L427 T431 L432 Q433T386-G429 WeakPolarHBondContact OG1-CA 3.45Å; T386-G429 PolarHBondContact OG1-N 2.97Å; L427-G429 VanDerWaalsContact C-N 3.32Å; L427-G429 PolarHBondContact O-N 3.22Å; G429-T431 VanDerWaalsContact C-N 3.3Å; G429-T431 PolarHBondContact O-N 3.37Å; G429-L432 PolarHBondContact O-N 3.38Å; G429-Q433 WeakPolarHBondContact O-CG 3.32Å; G429-Q433 PolarHBondContact O-N 3.04Å; G429-Q433 VanDerWaalsContact O-N 3.07Å
430L94.1Very high85.2Confident26 Ų2642.8 Ų42.814%0.13624%0.235CC..Hα-helixtrans-62.2-39173179.163.9000111.8R350 L379 L427 C428 L432 Q433 Y434R350-L430 VanDerWaalsContact NE-CD2 3.28Å; L379-L430 HydrophobicContact CD1-CD1 3.99Å; L379-L430 HydrophobicContact CD2-CD1 3.87Å; L379-L430 HydrophobicContact CG-CD1 4.41Å; L427-L430 HydrophobicContact CD2-CD2 4.46Å; L427-L430 WeakPolarHBondContact O-CB 3.48Å; L427-L430 PolarHBondContact O-N 3.02Å; C428-L430 VanDerWaalsContact C-N 3.31Å; C428-L430 PolarHBondContact O-N 3.35Å; L430-L432 VanDerWaalsContact C-N 3.35Å; L430-L432 PolarHBondContact O-N 3.33Å; L430-Q433 PolarHBondContact O-N 3.49Å; L430-Y434 WeakPolarHBondContact O-CB 3.39Å; L430-Y434 PolarHBondContact O-N 2.87Å
431T94.8Very high87.5Confident67 Ų6734.4 Ų34.441%0.41120%0.202SC..Hα-helixtrans-63.2-41.3178.1-55.80000111.5L427 C428 G429 C435 T525L427-T431 PolarHBondContact O-N 3.39Å; L427-T431 VanDerWaalsContact O-N 3.13Å; L427-T431 PolarHBondContact O-OG1 3.02Å; C428-T431 WeakPolarHBondContact O-CA 3.42Å; C428-T431 VanDerWaalsContact O-CB 3.27Å; C428-T431 WeakPolarHBondContact O-CB 3.47Å; C428-T431 PolarHBondContact O-N 2.7Å; G429-T431 VanDerWaalsContact C-N 3.3Å; G429-T431 PolarHBondContact O-N 3.37Å; T431-C435 WeakPolarHBondContact O-CB 3.48Å; T431-C435 PolarHBondContact O-N 3.01Å; T431-T525 HydrophobicContact CG2-CG2 3.89Å
432L97.6Very high89.5Confident0 Ų029.7 Ų29.70%017%0.168CC..Hα-helixtrans-63.2-49175.3-60.1-179.6000111.4T386 C428 G429 L430 Y434 C435 H436 L518 A521 L522 T525 L560 L564 M567T386-L432 HydrophobicContact CG2-CD1 4.28Å; C428-L432 WeakPolarHBondContact O-CG 3.39Å; C428-L432 PolarHBondContact O-N 3.07Å; G429-L432 PolarHBondContact O-N 3.38Å; L430-L432 VanDerWaalsContact C-N 3.35Å; L430-L432 PolarHBondContact O-N 3.33Å; L432-Y434 PolarHBondContact O-N 2.91Å; L432-C435 PolarHBondContact O-N 3.46Å; L432-H436 PolarHBondContact O-N 3.21Å; L432-L518 HydrophobicContact CD1-CD1 3.9Å; L432-A521 HydrophobicContact CD1-CB 4.23Å; L432-A521 HydrophobicContact CD2-CB 3.97Å; L432-A521 WeakPolarHBondContact CD2-O 3.18Å; L432-L522 HydrophobicContact CD1-CD2 4.49Å; L432-L522 HydrophobicContact CD2-CD2 3.75Å; L432-L522 HydrophobicContact CD2-CG 4.32Å; L432-L522 HydrophobicContact CG-CD2 4.11Å; L432-T525 WeakPolarHBondContact CD2-OG1 3.45Å; L432-L560 HydrophobicContact CB-CD1 4.46Å; L432-L560 HydrophobicContact CD2-CD1 4.13Å; L432-L564 HydrophobicContact CB-CD2 4.06Å; L432-L564 HydrophobicContact CD1-CD2 4.22Å; L432-M567 HydrophobicContact CD1-CE 4.1Å
433Q95.7Very high90.9Very high0 Ų028.7 Ų28.70%016%0.159CC..Hα-helixtrans-61.6-44.7179.8-74.1-74.718.300111.8H378 L379 T382 G429 L430 C435 H436 A437 R570 I575H378-Q433 PolarHBondContact NE2-NE2 3.37Å; L379-Q433 HydrophobicContact CD2-CB 3.92Å; L379-Q433 HydrophobicContact CD2-CG 4.01Å; T382-Q433 HydrophobicContact CG2-CG 3.81Å; G429-Q433 WeakPolarHBondContact O-CG 3.32Å; G429-Q433 PolarHBondContact O-N 3.04Å; G429-Q433 VanDerWaalsContact O-N 3.07Å; L430-Q433 PolarHBondContact O-N 3.49Å; Q433-C435 PolarHBondContact O-N 3.01Å; Q433-H436 PolarHBondContact O-N 3.45Å; Q433-A437 WeakPolarHBondContact O-CB 3.32Å; Q433-A437 PolarHBondContact O-N 3Å; Q433-R570 PolarHBondContact NE2-O 2.72Å; Q433-I575 VanDerWaalsContact C-CD1 3.43Å; Q433-I575 HydrophobicContact CB-CD1 3.6Å; Q433-I575 WeakPolarHBondContact O-CD1 3.38Å
434Y94.7Very high92Very high82 Ų8226.9 Ų26.932%0.32215%0.149SC..Hα-helixtrans-62.9-41.7176.9-179.1-110000112.6N356 L430 L432 A437 R438N356-Y434 HydrophobicContact CB-CE2 4.22Å; L430-Y434 WeakPolarHBondContact O-CB 3.39Å; L430-Y434 PolarHBondContact O-N 2.87Å; L432-Y434 PolarHBondContact O-N 2.91Å; Y434-A437 PolarHBondContact O-N 3.37Å; Y434-R438 HydrophobicContact CE1-CG 4.21Å; Y434-R438 HydrophobicContact CE2-CG 4.22Å; Y434-R438 WeakPolarHBondContact O-CB 3.27Å; Y434-R438 WeakPolarHBondContact O-CG 3.45Å; Y434-R438 PolarHBondContact O-N 3.21Å
435C96.6Very high92.7Very high3 Ų331.1 Ų31.12%0.0216%0.163CC..Hα-helixtrans-61.8-45.4175-173.30000111.5T431 L432 Q433 R438 L439 T525 L560T431-C435 WeakPolarHBondContact O-CB 3.48Å; T431-C435 PolarHBondContact O-N 3.01Å; L432-C435 PolarHBondContact O-N 3.46Å; Q433-C435 PolarHBondContact O-N 3.01Å; C435-R438 PolarHBondContact O-N 3.29Å; C435-L439 WeakPolarHBondContact O-CG 3.48Å; C435-L439 PolarHBondContact O-N 2.84Å; C435-L439 VanDerWaalsContact O-N 3.1Å; C435-T525 HydrophobicContact CB-CG2 3.56Å; C435-L560 HydrophobicContact CB-CD2 4Å
436H96.4Very high93Very high10 Ų1027.5 Ų27.55%0.04614%0.138CC..Hα-helixtrans-60.2-50.2176.8-179.8-90.4000111.8L432 Q433 R438 L439 C440 L560 A561 L564 P571 L572L432-H436 PolarHBondContact O-N 3.21Å; Q433-H436 PolarHBondContact O-N 3.45Å; H436-R438 VanDerWaalsContact C-N 3.31Å; H436-R438 PolarHBondContact O-N 3.14Å; H436-L439 WeakPolarHBondContact O-CB 3.47Å; H436-L439 PolarHBondContact O-N 3.12Å; H436-L439 VanDerWaalsContact O-N 3.09Å; H436-C440 PolarHBondContact CE1-SG 3.25Å; H436-C440 PolarHBondContact O-N 3.42Å; H436-C440 PolarHBondContact O-SG 3.03Å; H436-L560 HydrophobicContact CB-CD2 3.84Å; H436-L560 HydrophobicContact CB-CG 4.28Å; H436-A561 WeakPolarHBondContact NE2-CB 3.45Å; H436-L564 HydrophobicContact CB-CD1 4.25Å; H436-P571 VanDerWaalsContact CE1-CB 3.41Å; H436-P571 WeakPolarHBondContact CE1-CB 3.35Å; H436-L572 PolarHBondContact ND1-O 2.89Å
437A93.4Very high93.1Very high8 Ų825.4 Ų25.47%0.06613%0.128CC..Hα-helixtrans-59.9-38.1178.100000112.7Q433 Y434 L439 C440 S441 I575Q433-A437 WeakPolarHBondContact O-CB 3.32Å; Q433-A437 PolarHBondContact O-N 3Å; Y434-A437 PolarHBondContact O-N 3.37Å; A437-L439 PolarHBondContact O-N 3.22Å; A437-C440 WeakPolarHBondContact O-CB 3.25Å; A437-C440 PolarHBondContact O-N 2.75Å; A437-S441 PolarHBondContact O-N 3.01Å; A437-I575 HydrophobicContact CB-CD1 4.09Å; A437-I575 HydrophobicContact CB-CG1 4.06Å
438R94.4Very high92.9Very high63 Ų6328.2 Ų28.224%0.23815%0.151CC..Hα-helixtrans-63.1-40.3174-80.3177.461.6-162.41.8112.8Y434 C435 H436 S441 L442 N529 W532Y434-R438 HydrophobicContact CE1-CG 4.21Å; Y434-R438 HydrophobicContact CE2-CG 4.22Å; Y434-R438 WeakPolarHBondContact O-CB 3.27Å; Y434-R438 WeakPolarHBondContact O-CG 3.45Å; Y434-R438 PolarHBondContact O-N 3.21Å; C435-R438 PolarHBondContact O-N 3.29Å; H436-R438 VanDerWaalsContact C-N 3.31Å; H436-R438 PolarHBondContact O-N 3.14Å; R438-S441 PolarHBondContact O-N 3.01Å; R438-L442 PolarHBondContact O-N 3.37Å; R438-N529 PolarHBondContact NH1-OD1 3.21Å; R438-N529 VanDerWaalsContact NH1-OD1 3.08Å; R438-W532 HydrophobicContact CB-CH2 4.37Å; R438-W532 VanDerWaalsContact NH2-CD1 3.32Å; R438-W532 WeakPolarHBondContact O-CH2 3.46Å
439L95.2Very high92.7Very high3 Ų331.3 Ų31.32%0.01617%0.173CC..Hα-helixtrans-67.6-40.5176.5-68.5162.7000111.4C435 H436 A437 S441 L442 E443 V528 W532 F553 R557C435-L439 WeakPolarHBondContact O-CG 3.48Å; C435-L439 PolarHBondContact O-N 2.84Å; C435-L439 VanDerWaalsContact O-N 3.1Å; H436-L439 WeakPolarHBondContact O-CB 3.47Å; H436-L439 PolarHBondContact O-N 3.12Å; H436-L439 VanDerWaalsContact O-N 3.09Å; A437-L439 PolarHBondContact O-N 3.22Å; L439-S441 VanDerWaalsContact C-N 3.31Å; L439-S441 PolarHBondContact O-N 3.48Å; L439-L442 WeakPolarHBondContact O-CB 3.46Å; L439-L442 PolarHBondContact O-N 2.92Å; L439-L442 VanDerWaalsContact O-N 3.16Å; L439-E443 PolarHBondContact O-N 3.49Å; L439-E443 VanDerWaalsContact O-N 3.08Å; L439-V528 HydrophobicContact CD1-CG1 4.24Å; L439-V528 HydrophobicContact CD2-CG1 4.02Å; L439-V528 HydrophobicContact CG-CG1 4.4Å; L439-W532 HydrophobicContact CD2-CE3 4.34Å; L439-W532 HydrophobicContact CD2-CZ3 3.8Å; L439-W532 HydrophobicContact CG-CZ3 4.44Å; L439-F553 HydrophobicContact CD2-CB 3.82Å; L439-F553 HydrophobicContact CD2-CD1 3.75Å; L439-F553 HydrophobicContact CD2-CG 4.15Å; L439-R557 HydrophobicContact CB-CB 3.81Å; L439-R557 HydrophobicContact CB-CG 3.87Å; L439-R557 HydrophobicContact CD1-CB 4.18Å
440C92.1Very high92.3Very high11 Ų1134 Ų347%0.07420%0.2CC..Hα-helixtrans-58.2-42.6169.4-67.90000111.6H436 A437 L442 E443 S444 S573H436-C440 PolarHBondContact CE1-SG 3.25Å; H436-C440 PolarHBondContact O-N 3.42Å; H436-C440 PolarHBondContact O-SG 3.03Å; A437-C440 WeakPolarHBondContact O-CB 3.25Å; A437-C440 PolarHBondContact O-N 2.75Å; C440-L442 VanDerWaalsContact C-N 3.31Å; C440-L442 PolarHBondContact O-N 3.38Å; C440-E443 WeakPolarHBondContact O-CB 3.21Å; C440-E443 PolarHBondContact O-N 3.23Å; C440-S444 PolarHBondContact O-N 3.14Å; C440-S444 PolarHBondContact O-OG 2.99Å; C440-S573 WeakPolarHBondContact CB-O 3.43Å
441S91.3Very high91.9Very high25 Ų2533.4 Ų33.418%0.17520%0.197CC..Hα-helixtrans-66.2-30176.4-176.50000113.2R358 A437 R438 L439 R445R358-S441 PolarHBondContact NH1-OG 3.43Å; R358-S441 VanDerWaalsContact NH1-OG 3.15Å; A437-S441 PolarHBondContact O-N 3.01Å; R438-S441 PolarHBondContact O-N 3.01Å; L439-S441 VanDerWaalsContact C-N 3.31Å; L439-S441 PolarHBondContact O-N 3.48Å; S441-R445 WeakPolarHBondContact O-CB 3.41Å; S441-R445 VanDerWaalsContact O-CG 3.27Å; S441-R445 WeakPolarHBondContact O-CG 3.47Å; S441-R445 PolarHBondContact O-N 2.99Å; S441-R445 VanDerWaalsContact O-N 3.13Å; S441-R445 PolarHBondContact O-NE 3.33Å
442L93.2Very high91Very high8 Ų830.4 Ų30.44%0.04218%0.178CC..Hα-helixtrans-68.2-42.6172.7176.263.6000111.7R438 L439 C440 R445 S446 W532 V537 L538 L550 F553R438-L442 PolarHBondContact O-N 3.37Å; L439-L442 WeakPolarHBondContact O-CB 3.46Å; L439-L442 PolarHBondContact O-N 2.92Å; L439-L442 VanDerWaalsContact O-N 3.16Å; C440-L442 VanDerWaalsContact C-N 3.31Å; C440-L442 PolarHBondContact O-N 3.38Å; L442-R445 PolarHBondContact O-N 2.98Å; L442-S446 WeakPolarHBondContact O-CB 3.29Å; L442-S446 PolarHBondContact O-N 3.47Å; L442-S446 PolarHBondContact O-OG 2.86Å; L442-W532 HydrophobicContact CB-CH2 3.71Å; L442-W532 HydrophobicContact CB-CZ3 4.18Å; L442-W532 HydrophobicContact CD2-CH2 4.02Å; L442-W532 HydrophobicContact CD2-CZ3 3.8Å; L442-W532 HydrophobicContact CG-CH2 4.35Å; L442-V537 HydrophobicContact CD1-CB 4.12Å; L442-V537 HydrophobicContact CD1-CG1 4.37Å; L442-V537 HydrophobicContact CD1-CG2 4.43Å; L442-V537 HydrophobicContact CD2-CG2 4.18Å; L442-L538 HydrophobicContact CD1-CD1 4.43Å; L442-L538 HydrophobicContact CD1-CG 4.26Å; L442-L550 HydrophobicContact CG-CD1 4.32Å; L442-F553 HydrophobicContact CD2-CB 3.79Å; L442-F553 HydrophobicContact CD2-CD2 3.76Å; L442-F553 HydrophobicContact CD2-CG 3.87Å
443E90.4Very high89.5Confident14 Ų1434 Ų347%0.06520%0.201CC..Hα-helixtrans-56.9-55.8173.7174.1-177.6-165.400111L439 C440 R445 S446 I447 F466 L554 R557L439-E443 PolarHBondContact O-N 3.49Å; L439-E443 VanDerWaalsContact O-N 3.08Å; C440-E443 WeakPolarHBondContact O-CB 3.21Å; C440-E443 PolarHBondContact O-N 3.23Å; E443-R445 VanDerWaalsContact C-N 3.3Å; E443-R445 PolarHBondContact O-N 2.92Å; E443-S446 WeakPolarHBondContact O-CB 3.41Å; E443-S446 PolarHBondContact O-N 3.48Å; E443-I447 HydrophobicContact CG-CD1 4.15Å; E443-I447 WeakPolarHBondContact O-CG1 3.42Å; E443-I447 PolarHBondContact O-N 2.87Å; E443-F466 HydrophobicContact CB-CE2 4.38Å; E443-F466 HydrophobicContact CG-CD2 3.75Å; E443-F466 HydrophobicContact CG-CE2 3.61Å; E443-L554 HydrophobicContact CB-CD2 3.8Å; E443-L554 HydrophobicContact CG-CD2 4.05Å; E443-R557 VanDerWaalsContact CD-NH1 3.31Å; E443-R557 IonicContact OE1-CZ 3.83Å; E443-R557 IonicContact OE1-NH1 3.75Å; E443-R557 PolarHBondContact OE1-NH1 3.12Å; E443-R557 IonicContact OE1-NH2 2.71Å; E443-R557 WeakPolarHBondContact OE2-CD 3.38Å; E443-R557 IonicContact OE2-CZ 3.72Å; E443-R557 IonicContact OE2-NE 3.6Å; E443-R557 PolarHBondContact OE2-NE 3.5Å; E443-R557 IonicContact OE2-NH1 3.3Å; E443-R557 PolarHBondContact OE2-NH1 3.36Å; E443-R557 IonicContact OE2-NH2 3.88Å
444S88Confident88.2Confident61 Ų6137.5 Ų37.543%0.42722%0.217SC..Hα-helixtrans-57.3-42.5-179.8-52.90000112C440 I447 S448C440-S444 PolarHBondContact O-N 3.14Å; C440-S444 PolarHBondContact O-OG 2.99Å; S444-I447 WeakPolarHBondContact O-CB 3.45Å; S444-I447 PolarHBondContact O-N 2.91Å; S444-S448 PolarHBondContact O-N 2.96Å; S444-S448 PolarHBondContact O-OG 3.36Å
445R91Very high86.6Confident107 Ų10739.9 Ų39.940%0.40423%0.229SC..Hα-helixtrans-68.7-34177.2-72-176.2-62.7159.94.8113.1S441 L442 E443 I447 S448 S449 L538S441-R445 WeakPolarHBondContact O-CB 3.41Å; S441-R445 VanDerWaalsContact O-CG 3.27Å; S441-R445 WeakPolarHBondContact O-CG 3.47Å; S441-R445 PolarHBondContact O-N 2.99Å; S441-R445 VanDerWaalsContact O-N 3.13Å; S441-R445 PolarHBondContact O-NE 3.33Å; L442-R445 PolarHBondContact O-N 2.98Å; E443-R445 VanDerWaalsContact C-N 3.3Å; E443-R445 PolarHBondContact O-N 2.92Å; R445-I447 VanDerWaalsContact C-N 3.34Å; R445-S448 PolarHBondContact O-N 2.8Å; R445-S449 WeakPolarHBondContact O-CB 3.34Å; R445-S449 PolarHBondContact O-N 2.94Å; R445-S449 PolarHBondContact O-OG 2.85Å; R445-L538 HydrophobicContact CB-CD1 3.73Å
446S91.1Very high84.6Confident0 Ų043 Ų430%025%0.247CC..Hα-helixtrans-66-40.9175.9-57.30000110.6L442 E443 S449 G450 L451 L550L442-S446 WeakPolarHBondContact O-CB 3.29Å; L442-S446 PolarHBondContact O-N 3.47Å; L442-S446 PolarHBondContact O-OG 2.86Å; E443-S446 WeakPolarHBondContact O-CB 3.41Å; E443-S446 PolarHBondContact O-N 3.48Å; S446-S449 PolarHBondContact O-N 2.05Å; S446-S449 PolarHBondContact O-OG 3.37Å; S446-G450 PolarHBondContact O-N 3.29Å; S446-L451 PolarHBondContact O-N 3.39Å; S446-L550 WeakPolarHBondContact OG-CD1 3.3Å
447I86.6Confident82.6Confident2 Ų246.6 Ų46.61%0.0127%0.267CS..Hα-helixtrans-59.7-52.9171.6-66.4171.2000110.3E443 S444 R445 S449 G450 F454 M464 F466E443-I447 HydrophobicContact CG-CD1 4.15Å; E443-I447 WeakPolarHBondContact O-CG1 3.42Å; E443-I447 PolarHBondContact O-N 2.87Å; S444-I447 WeakPolarHBondContact O-CB 3.45Å; S444-I447 PolarHBondContact O-N 2.91Å; R445-I447 VanDerWaalsContact C-N 3.34Å; I447-S449 PolarHBondContact O-N 3.48Å; I447-G450 PolarHBondContact O-N 3.2Å; I447-F454 HydrophobicContact CG2-CB 4.02Å; I447-F454 HydrophobicContact CG2-CD1 3.41Å; I447-F454 VanDerWaalsContact CG2-CD1 3.41Å; I447-F454 HydrophobicContact CG2-CD2 4.25Å; I447-F454 HydrophobicContact CG2-CE1 3.85Å; I447-F454 HydrophobicContact CG2-CG 3.63Å; I447-F454 HydrophobicContact CG2-CZ 4.44Å; I447-M464 HydrophobicContact CD1-CB 4.46Å; I447-M464 HydrophobicContact CG2-CB 4.34Å; I447-M464 HydrophobicContact CG2-SD 4.11Å; I447-F466 HydrophobicContact CD1-CD1 4.34Å; I447-F466 HydrophobicContact CD1-CD2 4.46Å; I447-F466 HydrophobicContact CD1-CE1 4.17Å; I447-F466 HydrophobicContact CD1-CE2 4.35Å; I447-F466 HydrophobicContact CD1-CG 4.48Å; I447-F466 HydrophobicContact CD1-CZ 4.2Å; I447-F466 HydrophobicContact CG1-CD1 4.04Å; I447-F466 HydrophobicContact CG1-CE1 3.41Å; I447-F466 VanDerWaalsContact CG1-CE1 3.41Å; I447-F466 HydrophobicContact CG1-CE2 4.06Å; I447-F466 HydrophobicContact CG1-CZ 3.45Å; I447-F466 VanDerWaalsContact CG1-CZ 3.45Å
448S86.8Confident80.5Confident96 Ų9654 Ų5467%0.67131%0.306SS*.Hα-helixtrans-62.1-28.8-179.4-55.10000113.6S444 R445 G450S444-S448 PolarHBondContact O-N 2.96Å; S444-S448 PolarHBondContact O-OG 3.36Å; R445-S448 PolarHBondContact O-N 2.8Å; S448-G450 VanDerWaalsContact C-N 3.26Å; S448-G450 PolarHBondContact O-N 2.98Å
449S88.6Confident78.6Confident72 Ų7255.9 Ų55.950%0.50333%0.329SS..THydrogen-bonded Turntrans-76.8-8.7176.170.50000114.3R445 S446 I447 L451R445-S449 WeakPolarHBondContact O-CB 3.34Å; R445-S449 PolarHBondContact O-N 2.94Å; R445-S449 PolarHBondContact O-OG 2.85Å; S446-S449 PolarHBondContact O-N 2.05Å; S446-S449 PolarHBondContact O-OG 3.37Å; I447-S449 PolarHBondContact O-N 3.48Å; S449-L451 PolarHBondContact O-N 3.04Å; S449-L451 WeakPolarHBondContact OG-CB 3.23Å; S449-L451 PolarHBondContact OG-N 3.31Å
450G86.4Confident76.5Confident56 Ų5658.8 Ų58.858%0.57734%0.344SS*.THydrogen-bonded Turntrans71.713.8-174.600000114.2S446 I447 S448 F452S446-G450 PolarHBondContact O-N 3.29Å; I447-G450 PolarHBondContact O-N 3.2Å; S448-G450 VanDerWaalsContact C-N 3.26Å; S448-G450 PolarHBondContact O-N 2.98Å; G450-F452 PolarHBondContact O-N 3.29Å
451L85.8Confident74.1Confident14 Ų1462.8 Ų62.87%0.07337%0.37CS..SBendtrans-58.5-35.2-179.9176.657.7000111.8S446 S449 V537 Q546 L547 L550S446-L451 PolarHBondContact O-N 3.39Å; S449-L451 PolarHBondContact O-N 3.04Å; S449-L451 WeakPolarHBondContact OG-CB 3.23Å; S449-L451 PolarHBondContact OG-N 3.31Å; L451-V537 HydrophobicContact CD2-CG1 3.99Å; L451-Q546 HydrophobicContact CD1-CB 3.72Å; L451-Q546 HydrophobicContact CD1-CG 4.38Å; L451-Q546 VanDerWaalsContact CD1-OE1 3.26Å; L451-Q546 HydrophobicContact CD2-CB 4.05Å; L451-L547 HydrophobicContact CD1-CD2 4.36Å; L451-L547 HydrophobicContact CG-CD2 4.29Å; L451-L550 HydrophobicContact CD2-CD2 3.99Å
452F75.8Confident71.9Confident4 Ų465.8 Ų65.82%0.01839%0.387CS..SBendtrans-138.5131.6178.3-170.3-81.8000109.9G450 F454 F466 Q470 L471 V474 L547G450-F452 PolarHBondContact O-N 3.29Å; F452-F454 PolarHBondContact O-N 3.38Å; F452-F466 HydrophobicContact CB-CD1 4.42Å; F452-F466 HydrophobicContact CB-CE1 3.62Å; F452-F466 HydrophobicContact CB-CZ 4.17Å; F452-F466 AromaticContact CD1-CD1 3.47Å; F452-F466 HydrophobicContact CD1-CD1 3.47Å; F452-F466 VanDerWaalsContact CD1-CD1 3.47Å; F452-F466 AromaticContact CD1-CE1 3.56Å; F452-F466 HydrophobicContact CD1-CE1 3.56Å; F452-F466 HydrophobicContact CE1-CD1 4.15Å; F452-F466 HydrophobicContact CG-CD1 4.21Å; F452-F466 AromaticContact CG-CE1 3.88Å; F452-F466 HydrophobicContact CG-CE1 3.88Å; F452-Q470 HydrophobicContact CE1-CB 4.47Å; F452-Q470 HydrophobicContact CE1-CG 4.13Å; F452-Q470 HydrophobicContact CZ-CB 4.46Å; F452-Q470 HydrophobicContact CZ-CG 3.99Å; F452-L471 HydrophobicContact CE1-CB 4.42Å; F452-L471 VanDerWaalsContact CZ-CA 3.46Å; F452-L471 HydrophobicContact CZ-CB 4.15Å; F452-V474 HydrophobicContact CE2-CB 3.59Å; F452-V474 HydrophobicContact CE2-CG1 3.84Å; F452-V474 HydrophobicContact CE2-CG2 3.51Å; F452-V474 HydrophobicContact CZ-CB 4.14Å; F452-V474 HydrophobicContact CZ-CG2 3.75Å; F452-L547 HydrophobicContact CD2-CD2 3.97Å
453P66.6Low70Confident74 Ų7467.4 Ų67.448%0.48140%0.399SS..  trans-63.1131.3179.626.2-34000110.5
454F67.1Low68.5Low74 Ų7471.2 Ų71.233%0.32542%0.418SS..  trans-108.9151.1175.465.2-81.2000109.9I447 F452 V456 M464I447-F454 HydrophobicContact CG2-CB 4.02Å; I447-F454 HydrophobicContact CG2-CD1 3.41Å; I447-F454 VanDerWaalsContact CG2-CD1 3.41Å; I447-F454 HydrophobicContact CG2-CD2 4.25Å; I447-F454 HydrophobicContact CG2-CE1 3.85Å; I447-F454 HydrophobicContact CG2-CG 3.63Å; I447-F454 HydrophobicContact CG2-CZ 4.44Å; F452-F454 PolarHBondContact O-N 3.38Å; F454-V456 HydrophobicContact CD2-CG2 4.15Å; F454-V456 HydrophobicContact CE2-CG2 3.65Å; F454-M464 HydrophobicContact CE2-CE 3.74Å; F454-M464 HydrophobicContact CE2-CG 4.31Å; F454-M464 HydrophobicContact CZ-CE 3.69Å
455K61Low67.5Low132 Ų13270.4 Ų70.457%0.57442%0.416SS*.EExtended strand (participates in β ladder)trans-96.1133.3161.9-76.6-177.9-171.2150.60108.7D467K455-D467 IonicContact NZ-OD2 2.86Å; K455-D467 PolarHBondContact NZ-OD2 3.45Å
456V55.9Low66.6Low68 Ų6866.1 Ų66.141%0.41240%0.4SS..EExtended strand (participates in β ladder)trans-70.9128.6165.8179.70000107.1F454 N458 P461F454-V456 HydrophobicContact CD2-CG2 4.15Å; F454-V456 HydrophobicContact CE2-CG2 3.65Å; V456-N458 PolarHBondContact O-N 2.84Å; V456-P461 HydrophobicContact CG1-CB 4.19Å
457N54.4Low66Low87 Ų8768.1 Ų68.147%0.46541%0.41SS..EExtended strand (participates in β ladder)trans-69.5121.1176.3-151.21.4000108.4S459 D460N457-S459 PolarHBondContact O-N 3.33Å; N457-S459 VanDerWaalsContact O-N 3.1Å; N457-D460 CarbonylContact O-C 3.12Å; N457-D460 PolarHBondContact O-N 3.13Å; N457-D460 VanDerWaalsContact O-O 3.09Å
458N49Very low65.7Low162 Ų16269.4 Ų69.487%0.86642%0.419SS*.THydrogen-bonded Turntrans-62.3-23.3-173.7-74.8-15.5000113.3V456V456-N458 PolarHBondContact O-N 2.84Å
459S54.9Low65.5Low104 Ų10470 Ų7073%0.72741%0.414SS*.THydrogen-bonded Turntrans-86.5-18.8178.343.30000114.1N457N457-S459 PolarHBondContact O-N 3.33Å; N457-S459 VanDerWaalsContact O-N 3.1Å
460D49.8Very low65.3Low63 Ų6369.2 Ų69.234%0.33740%0.402SS..EExtended strand (participates in β ladder)trans-147.394.3173.5-178.4-0.1000109.2N457 T462 S463N457-D460 CarbonylContact O-C 3.12Å; N457-D460 PolarHBondContact O-N 3.13Å; N457-D460 VanDerWaalsContact O-O 3.09Å; D460-T462 PolarHBondContact O-N 2.88Å; D460-T462 WeakPolarHBondContact OD1-CB 3.41Å; D460-T462 PolarHBondContact OD1-N 3.02Å; D460-T462 PolarHBondContact OD1-OG1 2.91Å; D460-S463 PolarHBondContact O-N 3.19Å; D460-S463 PolarHBondContact OD1-N 3.38Å
461P41.9Very low65.2Low95 Ų9566.9 Ų66.962%0.61738%0.377SS*.EExtended strand (participates in β ladder)trans-59.5-16.4179.6-22.432.1000114.1V456V456-P461 HydrophobicContact CG1-CB 4.19Å
462T45.1Very low65.3Low88 Ų8866.4 Ų66.454%0.5437%0.374SS..EExtended strand (participates in β ladder)trans-90.6-15.1179.573.20000112.9D460 M464D460-T462 PolarHBondContact O-N 2.88Å; D460-T462 WeakPolarHBondContact OD1-CB 3.41Å; D460-T462 PolarHBondContact OD1-N 3.02Å; D460-T462 PolarHBondContact OD1-OG1 2.91Å; T462-M464 PolarHBondContact O-N 3.32Å
463S53.8Low65.8Low42 Ų4271.5 Ų71.529%0.29440%0.398SS..EExtended strand (participates in β ladder)trans-8185.2177.3171.20000111D460 A465D460-S463 PolarHBondContact O-N 3.19Å; D460-S463 PolarHBondContact OD1-N 3.38Å; S463-A465 PolarHBondContact O-N 2.95Å
464M59.1Low66.8Low94 Ų9469.1 Ų69.146%0.46338%0.382SS..EExtended strand (participates in β ladder)trans-78.397.2167.6-72.2-172.9162.500110.7I447 F454 T462I447-M464 HydrophobicContact CD1-CB 4.46Å; I447-M464 HydrophobicContact CG2-CB 4.34Å; I447-M464 HydrophobicContact CG2-SD 4.11Å; F454-M464 HydrophobicContact CE2-CE 3.74Å; F454-M464 HydrophobicContact CE2-CG 4.31Å; F454-M464 HydrophobicContact CZ-CE 3.69Å; T462-M464 PolarHBondContact O-N 3.32Å
465A67.7Low67.9Low45 Ų4565.8 Ų65.837%0.37237%0.367SS..EExtended strand (participates in β ladder)trans-128.9151.4171.900000110.3S463 D467S463-A465 PolarHBondContact O-N 2.95Å; A465-D467 PolarHBondContact O-N 3.4Å
466F72.1Confident69.2Low17 Ų1762.8 Ų62.88%0.07536%0.358CS..  trans-64134.4174.1-72.1-56.3000111.3E443 I447 F452 T468 L471 L550 L554E443-F466 HydrophobicContact CB-CE2 4.38Å; E443-F466 HydrophobicContact CG-CD2 3.75Å; E443-F466 HydrophobicContact CG-CE2 3.61Å; I447-F466 HydrophobicContact CD1-CD1 4.34Å; I447-F466 HydrophobicContact CD1-CD2 4.46Å; I447-F466 HydrophobicContact CD1-CE1 4.17Å; I447-F466 HydrophobicContact CD1-CE2 4.35Å; I447-F466 HydrophobicContact CD1-CG 4.48Å; I447-F466 HydrophobicContact CD1-CZ 4.2Å; I447-F466 HydrophobicContact CG1-CD1 4.04Å; I447-F466 HydrophobicContact CG1-CE1 3.41Å; I447-F466 VanDerWaalsContact CG1-CE1 3.41Å; I447-F466 HydrophobicContact CG1-CE2 4.06Å; I447-F466 HydrophobicContact CG1-CZ 3.45Å; I447-F466 VanDerWaalsContact CG1-CZ 3.45Å; F452-F466 HydrophobicContact CB-CD1 4.42Å; F452-F466 HydrophobicContact CB-CE1 3.62Å; F452-F466 HydrophobicContact CB-CZ 4.17Å; F452-F466 AromaticContact CD1-CD1 3.47Å; F452-F466 HydrophobicContact CD1-CD1 3.47Å; F452-F466 VanDerWaalsContact CD1-CD1 3.47Å; F452-F466 AromaticContact CD1-CE1 3.56Å; F452-F466 HydrophobicContact CD1-CE1 3.56Å; F452-F466 HydrophobicContact CE1-CD1 4.15Å; F452-F466 HydrophobicContact CG-CD1 4.21Å; F452-F466 AromaticContact CG-CE1 3.88Å; F452-F466 HydrophobicContact CG-CE1 3.88Å; F466-T468 PolarHBondContact O-N 3.33Å; F466-T468 VanDerWaalsContact O-N 3.08Å; F466-L471 HydrophobicContact CB-CD1 3.94Å; F466-L471 HydrophobicContact CD2-CD1 4.01Å; F466-L471 HydrophobicContact CG-CD1 3.99Å; F466-L550 HydrophobicContact CE2-CD2 4.46Å; F466-L550 HydrophobicContact CZ-CD2 4.23Å; F466-L554 HydrophobicContact CD2-CD1 3.84Å; F466-L554 HydrophobicContact CD2-CD2 4.41Å; F466-L554 HydrophobicContact CE2-CD1 3.73Å; F466-L554 HydrophobicContact CE2-CD2 4.22Å
467D77.8Confident70.8Confident41 Ų4165.4 Ų65.422%0.21937%0.366CS..  trans-64108.6162.8-178.3-20.6000106.9K455 A465 D469 Q470 L471K455-D467 IonicContact NZ-OD2 2.86Å; K455-D467 PolarHBondContact NZ-OD2 3.45Å; A465-D467 PolarHBondContact O-N 3.4Å; D467-D469 PolarHBondContact O-N 3.2Å; D467-D469 PolarHBondContact OD1-N 3.36Å; D467-D469 VanDerWaalsContact OD1-N 3.09Å; D467-Q470 HydrophobicContact CB-CB 3.87Å; D467-Q470 PolarHBondContact O-N 2.88Å; D467-Q470 PolarHBondContact OD1-N 3.44Å; D467-L471 WeakPolarHBondContact O-CB 3.47Å; D467-L471 PolarHBondContact O-N 3.22Å
468T81.1Confident72.4Confident30 Ų3062.3 Ų62.318%0.18435%0.348CS..Hα-helixtrans-60.7-36.9-173.9-60.70000110.9Y13 F466 L471 I472Y13-T468 HydrophobicContact CD1-CG2 3.6Å; Y13-T468 HydrophobicContact CE1-CG2 4.15Å; Y13-T468 HydrophobicContact CG-CG2 4.23Å; F466-T468 PolarHBondContact O-N 3.33Å; F466-T468 VanDerWaalsContact O-N 3.08Å; T468-L471 PolarHBondContact O-N 3.05Å; T468-I472 HydrophobicContact CG2-CG1 4.47Å; T468-I472 WeakPolarHBondContact O-CG1 3.38Å; T468-I472 PolarHBondContact O-N 2.81Å
469D81.6Confident74Confident107 Ų10760.9 Ų60.957%0.57235%0.345SS*.Hα-helixtrans-71.2-39.1-179.3-67.9-32.8000111D467 I472 H473D467-D469 PolarHBondContact O-N 3.2Å; D467-D469 PolarHBondContact OD1-N 3.36Å; D467-D469 VanDerWaalsContact OD1-N 3.09Å; D469-I472 PolarHBondContact O-N 3.34Å; D469-H473 WeakPolarHBondContact O-CB 3.31Å; D469-H473 PolarHBondContact O-N 3.48Å
470Q84.2Confident75.4Confident56 Ų5663.5 Ų63.526%0.26235%0.346SS..Hα-helixtrans-64.6-41.5173.7-169.1175.89.500111.8F452 D467 H473 V474F452-Q470 HydrophobicContact CE1-CB 4.47Å; F452-Q470 HydrophobicContact CE1-CG 4.13Å; F452-Q470 HydrophobicContact CZ-CB 4.46Å; F452-Q470 HydrophobicContact CZ-CG 3.99Å; D467-Q470 HydrophobicContact CB-CB 3.87Å; D467-Q470 PolarHBondContact O-N 2.88Å; D467-Q470 PolarHBondContact OD1-N 3.44Å; Q470-H473 WeakPolarHBondContact O-CB 3.31Å; Q470-H473 PolarHBondContact O-N 3.41Å; Q470-V474 WeakPolarHBondContact O-CG2 3.45Å; Q470-V474 PolarHBondContact O-N 2.86Å
471L85.5Confident77.3Confident7 Ų761.5 Ų61.54%0.03733%0.334CS..Hα-helixtrans-59.5-47.7177-172.4153000111.3L12 F452 F466 D467 T468 H473 V474 F475 F551 L554L12-L471 HydrophobicContact CB-CD2 3.9Å; L12-L471 HydrophobicContact CD1-CD2 3.65Å; L12-L471 HydrophobicContact CD2-CD2 3.77Å; L12-L471 HydrophobicContact CG-CD2 3.96Å; F452-L471 HydrophobicContact CE1-CB 4.42Å; F452-L471 VanDerWaalsContact CZ-CA 3.46Å; F452-L471 HydrophobicContact CZ-CB 4.15Å; F466-L471 HydrophobicContact CB-CD1 3.94Å; F466-L471 HydrophobicContact CD2-CD1 4.01Å; F466-L471 HydrophobicContact CG-CD1 3.99Å; D467-L471 WeakPolarHBondContact O-CB 3.47Å; D467-L471 PolarHBondContact O-N 3.22Å; T468-L471 PolarHBondContact O-N 3.05Å; L471-H473 VanDerWaalsContact C-N 3.34Å; L471-V474 PolarHBondContact O-N 3.47Å; L471-F475 WeakPolarHBondContact O-CB 3.33Å; L471-F475 PolarHBondContact O-N 2.96Å; L471-F551 HydrophobicContact CD2-CD1 3.97Å; L471-F551 HydrophobicContact CD2-CE1 3.98Å; L471-F551 HydrophobicContact CG-CD1 4.24Å; L471-F551 HydrophobicContact CG-CE1 3.88Å; L471-L554 HydrophobicContact CD1-CD1 3.55Å
472I86.4Confident79.6Confident4 Ų457.6 Ų57.62%0.02131%0.308CS..Hα-helixtrans-62.7-42176.1-65.9-69.6000110.9R9 L12 Y13 T468 D469 V474 F475 D476R9-I472 HydrophobicContact CG-CD1 4.11Å; R9-I472 HydrophobicContact CG-CG2 4.24Å; R9-I472 VanDerWaalsContact NH2-CG2 3.34Å; R9-I472 WeakPolarHBondContact O-CD1 3.41Å; L12-I472 HydrophobicContact CB-CD1 3.53Å; L12-I472 HydrophobicContact CD1-CD1 4.16Å; L12-I472 HydrophobicContact CG-CD1 4.49Å; Y13-I472 HydrophobicContact CD2-CD1 4.16Å; Y13-I472 HydrophobicContact CE1-CG1 4.16Å; Y13-I472 HydrophobicContact CE2-CD1 3.85Å; Y13-I472 HydrophobicContact CE2-CG1 4.11Å; T468-I472 HydrophobicContact CG2-CG1 4.47Å; T468-I472 WeakPolarHBondContact O-CG1 3.38Å; T468-I472 PolarHBondContact O-N 2.81Å; D469-I472 PolarHBondContact O-N 3.34Å; I472-V474 PolarHBondContact O-N 3.2Å; I472-F475 WeakPolarHBondContact O-CB 3.47Å; I472-F475 PolarHBondContact O-N 3.03Å; I472-D476 WeakPolarHBondContact O-CB 3.16Å; I472-D476 VanDerWaalsContact O-CG 3.27Å; I472-D476 PolarHBondContact O-N 3.5Å
473H87.4Confident81.8Confident112 Ų11256.9 Ų56.952%0.51931%0.307SS..Hα-helixtrans-59.3-45.8177.7176.4-91.1000112.2D469 Q470 L471 D476 Q477D469-H473 WeakPolarHBondContact O-CB 3.31Å; D469-H473 PolarHBondContact O-N 3.48Å; Q470-H473 WeakPolarHBondContact O-CB 3.31Å; Q470-H473 PolarHBondContact O-N 3.41Å; L471-H473 VanDerWaalsContact C-N 3.34Å; H473-D476 PolarHBondContact O-N 2.98Å; H473-Q477 PolarHBondContact CE1-NE2 3.4Å; H473-Q477 WeakPolarHBondContact O-CG 3.29Å; H473-Q477 PolarHBondContact O-N 3Å
474V88Confident83.6Confident24 Ų2458.4 Ų58.415%0.14532%0.315CS..Hα-helixtrans-67.5-37.2176.4175.50000111.5F452 Q470 L471 I472 D476 Q477 F478 L547 F551F452-V474 HydrophobicContact CE2-CB 3.59Å; F452-V474 HydrophobicContact CE2-CG1 3.84Å; F452-V474 HydrophobicContact CE2-CG2 3.51Å; F452-V474 HydrophobicContact CZ-CB 4.14Å; F452-V474 HydrophobicContact CZ-CG2 3.75Å; Q470-V474 WeakPolarHBondContact O-CG2 3.45Å; Q470-V474 PolarHBondContact O-N 2.86Å; L471-V474 PolarHBondContact O-N 3.47Å; I472-V474 PolarHBondContact O-N 3.2Å; V474-D476 VanDerWaalsContact C-N 3.28Å; V474-D476 PolarHBondContact O-N 3.08Å; V474-Q477 WeakPolarHBondContact O-CB 3.24Å; V474-Q477 PolarHBondContact O-N 3.39Å; V474-F478 HydrophobicContact CG1-CE2 4.41Å; V474-F478 VanDerWaalsContact O-CD2 3.31Å; V474-F478 WeakPolarHBondContact O-CD2 3.48Å; V474-L547 HydrophobicContact CG1-CD1 4.38Å; V474-F551 HydrophobicContact CG1-CZ 4.16Å
475F89.5Confident85.1Confident3 Ų354 Ų541%0.01329%0.293CS..Hα-helixtrans-58.8-42172.4178-82.4000111.7K5 L8 R9 L12 L471 I472 Q477 F478 W481 F551K5-F475 HydrophobicContact CG-CE1 3.83Å; K5-F475 HydrophobicContact CG-CZ 4.06Å; K5-F475 WeakPolarHBondContact O-CZ 3.17Å; L8-F475 HydrophobicContact CB-CE2 4.25Å; L8-F475 HydrophobicContact CB-CZ 4.03Å; R9-F475 HydrophobicContact CB-CD1 4.09Å; R9-F475 HydrophobicContact CB-CE1 3.57Å; R9-F475 HydrophobicContact CB-CZ 4.15Å; R9-F475 HydrophobicContact CG-CD1 4.05Å; R9-F475 HydrophobicContact CG-CE1 4.02Å; L12-F475 HydrophobicContact CD1-CB 4.17Å; L12-F475 HydrophobicContact CD1-CD2 3.43Å; L12-F475 VanDerWaalsContact CD1-CD2 3.43Å; L12-F475 HydrophobicContact CD1-CE2 3.85Å; L12-F475 HydrophobicContact CD1-CG 3.82Å; L471-F475 WeakPolarHBondContact O-CB 3.33Å; L471-F475 PolarHBondContact O-N 2.96Å; I472-F475 WeakPolarHBondContact O-CB 3.47Å; I472-F475 PolarHBondContact O-N 3.03Å; F475-Q477 VanDerWaalsContact C-N 3.27Å; F475-Q477 PolarHBondContact O-N 3.39Å; F475-F478 PolarHBondContact O-N 3Å; F475-W481 HydrophobicContact CE1-CZ2 4.34Å; F475-W481 AromaticContact CE2-CZ2 3.74Å; F475-W481 HydrophobicContact CE2-CZ2 3.74Å; F475-W481 HydrophobicContact CZ-CH2 4.18Å; F475-W481 AromaticContact CZ-CZ2 3.47Å; F475-W481 HydrophobicContact CZ-CZ2 3.47Å; F475-W481 VanDerWaalsContact CZ-CZ2 3.47Å; F475-F551 HydrophobicContact CB-CD2 4.35Å; F475-F551 HydrophobicContact CB-CE2 3.99Å; F475-F551 HydrophobicContact CB-CZ 4.21Å; F475-F551 HydrophobicContact CD2-CB 4.2Å; F475-F551 AromaticContact CD2-CD2 3.5Å; F475-F551 HydrophobicContact CD2-CD2 3.5Å; F475-F551 AromaticContact CD2-CE2 3.97Å; F475-F551 HydrophobicContact CD2-CE2 3.97Å; F475-F551 AromaticContact CD2-CG 3.92Å; F475-F551 HydrophobicContact CD2-CG 3.92Å; F475-F551 HydrophobicContact CE2-CB 4.48Å; F475-F551 HydrophobicContact CE2-CD2 4.32Å; F475-F551 HydrophobicContact CG-CD2 4.38Å; F475-F551 HydrophobicContact CG-CE2 4.45Å
476D89Confident86.3Confident69 Ų6952.6 Ų52.637%0.36928%0.28SS..Hα-helixtrans-69.9-21.1-179.3-72.4-19.6000112.8R9 I472 H473 V474 F478R9-D476 WeakPolarHBondContact CD-OD1 3.47Å; R9-D476 IonicContact CZ-OD1 3.07Å; R9-D476 IonicContact CZ-OD2 3.31Å; R9-D476 VanDerWaalsContact CZ-OD2 3.31Å; R9-D476 VanDerWaalsContact NE-CG 3.27Å; R9-D476 IonicContact NE-OD1 2.84Å; R9-D476 PolarHBondContact NE-OD1 2.87Å; R9-D476 IonicContact NE-OD2 2.92Å; R9-D476 PolarHBondContact NE-OD2 3.13Å; R9-D476 IonicContact NH2-OD2 3.4Å; R9-D476 PolarHBondContact NH2-OD2 3.18Å; I472-D476 WeakPolarHBondContact O-CB 3.16Å; I472-D476 VanDerWaalsContact O-CG 3.27Å; I472-D476 PolarHBondContact O-N 3.5Å; H473-D476 PolarHBondContact O-N 2.98Å; V474-D476 VanDerWaalsContact C-N 3.28Å; V474-D476 PolarHBondContact O-N 3.08Å; D476-F478 VanDerWaalsContact C-N 3.3Å; D476-F478 PolarHBondContact O-N 3.31Å
477Q89.1Confident87.2Confident124 Ų12457.5 Ų57.558%0.57931%0.307SS*.Hα-helixtrans-69.7-22.8176.4-73.4176.6-17.700114H473 V474 F475 T479H473-Q477 PolarHBondContact CE1-NE2 3.4Å; H473-Q477 WeakPolarHBondContact O-CG 3.29Å; H473-Q477 PolarHBondContact O-N 3Å; V474-Q477 WeakPolarHBondContact O-CB 3.24Å; V474-Q477 PolarHBondContact O-N 3.39Å; F475-Q477 VanDerWaalsContact C-N 3.27Å; F475-Q477 PolarHBondContact O-N 3.39Å; Q477-T479 PolarHBondContact O-N 2.97Å
478F87Confident88Confident21 Ų2159.5 Ų59.59%0.09232%0.315CS..  trans-72.1109.2176.8-75-89.6000110K5 V474 F475 D476 E544 L547 I548 F551K5-F478 WeakPolarHBondContact CE-O 3.32Å; K5-F478 PolarHBondContact NZ-O 3.48Å; V474-F478 HydrophobicContact CG1-CE2 4.41Å; V474-F478 VanDerWaalsContact O-CD2 3.31Å; V474-F478 WeakPolarHBondContact O-CD2 3.48Å; F475-F478 PolarHBondContact O-N 3Å; D476-F478 VanDerWaalsContact C-N 3.3Å; D476-F478 PolarHBondContact O-N 3.31Å; F478-E544 HydrophobicContact CE1-CB 3.81Å; F478-E544 HydrophobicContact CE1-CG 3.81Å; F478-E544 HydrophobicContact CZ-CB 4.38Å; F478-E544 HydrophobicContact CZ-CG 4.36Å; F478-L547 HydrophobicContact CE2-CB 4.35Å; F478-L547 HydrophobicContact CE2-CD1 4.31Å; F478-L547 HydrophobicContact CZ-CB 4.04Å; F478-L547 HydrophobicContact CZ-CD1 4.01Å; F478-I548 HydrophobicContact CD1-CD1 3.98Å; F478-I548 HydrophobicContact CD1-CG1 4.28Å; F478-I548 HydrophobicContact CD2-CD1 3.85Å; F478-I548 HydrophobicContact CE1-CD1 4.07Å; F478-I548 HydrophobicContact CE1-CG1 4.09Å; F478-I548 HydrophobicContact CE2-CD1 3.95Å; F478-I548 HydrophobicContact CG-CD1 3.87Å; F478-I548 HydrophobicContact CZ-CD1 4.06Å; F478-I548 HydrophobicContact CZ-CG1 4.29Å; F478-F551 HydrophobicContact CD2-CE2 4.4Å; F478-F551 AromaticContact CE2-CE2 3.99Å; F478-F551 HydrophobicContact CE2-CE2 3.99Å
479T82.5Confident88.7Confident132 Ų13266.9 Ų66.981%0.8134%0.344SS*.SBendtrans-70.6-50.8170.747.40000110.4Q477Q477-T479 PolarHBondContact O-N 2.97Å
480E85.4Confident89.4Confident159 Ų15962.3 Ų62.374%0.74332%0.321SS*.SBendtrans-117.7150.7172.7-63.8-172.4169.900110.7
481W89.4Confident89.9Confident21 Ų2160 Ų608%0.0831%0.31CS..  trans-96.9144.6175.3-70.8-16.1000110.7M1 K5 L8 F475 S483 V486 F491 I548M1-W481 HydrophobicContact CG-CE3 4.42Å; K5-W481 HydrophobicContact CB-CH2 3.84Å; K5-W481 HydrophobicContact CB-CZ2 3.8Å; K5-W481 HydrophobicContact CD-CZ2 4.34Å; K5-W481 HydrophobicContact CG-CH2 4.2Å; K5-W481 HydrophobicContact CG-CZ2 3.64Å; L8-W481 HydrophobicContact CB-CH2 4.48Å; L8-W481 HydrophobicContact CD1-CH2 3.57Å; L8-W481 HydrophobicContact CD1-CZ3 3.99Å; F475-W481 HydrophobicContact CE1-CZ2 4.34Å; F475-W481 AromaticContact CE2-CZ2 3.74Å; F475-W481 HydrophobicContact CE2-CZ2 3.74Å; F475-W481 HydrophobicContact CZ-CH2 4.18Å; F475-W481 AromaticContact CZ-CZ2 3.47Å; F475-W481 HydrophobicContact CZ-CZ2 3.47Å; F475-W481 VanDerWaalsContact CZ-CZ2 3.47Å; W481-S483 PolarHBondContact O-N 3.49Å; W481-V486 HydrophobicContact CB-CG1 3.36Å; W481-V486 HydrophobicContact CB-CG2 4.47Å; W481-V486 HydrophobicContact CD2-CG1 4.13Å; W481-V486 HydrophobicContact CE3-CG1 3.65Å; W481-V486 HydrophobicContact CG-CG1 4.1Å; W481-F491 HydrophobicContact CE3-CE1 4.45Å; W481-F491 HydrophobicContact CE3-CZ 4.39Å; W481-F491 HydrophobicContact CZ3-CE1 4.35Å; W481-F491 HydrophobicContact CZ3-CZ 4.28Å; W481-I548 HydrophobicContact CG-CD1 4.27Å; W481-I548 HydrophobicContact CG-CG1 4.44Å
482P90.7Very high90.3Very high14 Ų1463.6 Ų63.69%0.09133%0.332CS..  trans-60.8122.5-177.925.3-32.2000110.3T484 T485 V486 E544 I548P482-T484 PolarHBondContact O-N 3.49Å; P482-T484 VanDerWaalsContact O-N 3.17Å; P482-T485 PolarHBondContact O-N 3.31Å; P482-V486 PolarHBondContact O-N 2.83Å; P482-E544 HydrophobicContact CG-CB 4.33Å; P482-I548 HydrophobicContact CG-CB 4.47Å; P482-I548 HydrophobicContact CG-CG1 4.19Å
483S90.3Very high90.7Very high73 Ų7368.3 Ų68.351%0.5135%0.352SS..Hα-helixtrans-57.6-30.9-177.160.60000112.6W481 T485 N487W481-S483 PolarHBondContact O-N 3.49Å; S483-T485 PolarHBondContact O-N 2.89Å; S483-N487 WeakPolarHBondContact O-CB 3.36Å; S483-N487 VanDerWaalsContact O-CG 3.32Å; S483-N487 PolarHBondContact O-N 3.45Å; S483-N487 PolarHBondContact O-ND2 2.86Å
484T91.4Very high91.2Very high74 Ų7463 Ų6345%0.45433%0.328SS..Hα-helixtrans-61.1-18.1172.940.60000114.7P482 E488 D545P482-T484 PolarHBondContact O-N 3.49Å; P482-T484 VanDerWaalsContact O-N 3.17Å; T484-E488 WeakPolarHBondContact O-CG 3.47Å; T484-D545 WeakPolarHBondContact CB-OD1 2.99Å; T484-D545 VanDerWaalsContact OG1-CG 3.23Å; T484-D545 PolarHBondContact OG1-OD1 2.9Å; T484-D545 PolarHBondContact OG1-OD2 3.28Å; T484-D545 VanDerWaalsContact OG1-OD2 3.06Å
485T91.8Very high91.5Very high0 Ų062.1 Ų62.10%032%0.323CS..Hα-helixtrans-107.6-46.6173.2-71.60000111P482 S483 N487 E488 F491 D545 I548 R549P482-T485 PolarHBondContact O-N 3.31Å; S483-T485 PolarHBondContact O-N 2.89Å; T485-N487 VanDerWaalsContact C-N 3.32Å; T485-N487 PolarHBondContact O-N 2.8Å; T485-E488 WeakPolarHBondContact O-CB 3.38Å; T485-E488 PolarHBondContact O-N 3.26Å; T485-F491 HydrophobicContact CG2-CD2 3.46Å; T485-F491 VanDerWaalsContact CG2-CD2 3.46Å; T485-F491 HydrophobicContact CG2-CE2 3.69Å; T485-F491 HydrophobicContact CG2-CG 4.09Å; T485-F491 HydrophobicContact CG2-CZ 4.48Å; T485-F491 WeakPolarHBondContact O-CB 3.21Å; T485-F491 WeakPolarHBondContact O-CG 3.48Å; T485-D545 WeakPolarHBondContact CB-OD1 3.36Å; T485-D545 PolarHBondContact N-OD1 2.92Å; T485-D545 PolarHBondContact OG1-OD1 2.96Å; T485-I548 HydrophobicContact CG2-CB 4.43Å; T485-I548 HydrophobicContact CG2-CG2 3.85Å; T485-R549 HydrophobicContact CG2-CG 3.61Å; T485-R549 PolarHBondContact OG1-NE 2.99Å; T485-R549 PolarHBondContact OG1-NH2 3.28Å
486V91.5Very high91.7Very high16 Ų1666.8 Ų66.810%0.09735%0.348CS..Hα-helixtrans-75.7-20-171.1-59.50000114.4W481 P482 F491 V492W481-V486 HydrophobicContact CB-CG1 3.36Å; W481-V486 HydrophobicContact CB-CG2 4.47Å; W481-V486 HydrophobicContact CD2-CG1 4.13Å; W481-V486 HydrophobicContact CE3-CG1 3.65Å; W481-V486 HydrophobicContact CG-CG1 4.1Å; P482-V486 PolarHBondContact O-N 2.83Å; V486-F491 HydrophobicContact CB-CD1 4.35Å; V486-F491 HydrophobicContact CB-CE1 4.24Å; V486-F491 HydrophobicContact CG1-CD1 4.35Å; V486-F491 HydrophobicContact CG1-CE1 3.84Å; V486-F491 HydrophobicContact CG1-CZ 4.16Å; V486-V492 WeakPolarHBondContact O-CG2 3.48Å
487N92.4Very high92Very high121 Ų12163.8 Ų63.865%0.64733%0.332SS*.THydrogen-bonded Turntrans-86.9-9.3174.3-63.2-18.6000112.7S483 T485 K489S483-N487 WeakPolarHBondContact O-CB 3.36Å; S483-N487 VanDerWaalsContact O-CG 3.32Å; S483-N487 PolarHBondContact O-N 3.45Å; S483-N487 PolarHBondContact O-ND2 2.86Å; T485-N487 VanDerWaalsContact C-N 3.32Å; T485-N487 PolarHBondContact O-N 2.8Å; N487-K489 PolarHBondContact O-N 3.27Å
488E94.8Very high92.3Very high82 Ų8258 Ų5838%0.38330%0.304SS..SBendtrans-65.6125.9175.7-75-63.8154.400110.4T484 T485 S490 F491 V492 L535T484-E488 WeakPolarHBondContact O-CG 3.47Å; T485-E488 WeakPolarHBondContact O-CB 3.38Å; T485-E488 PolarHBondContact O-N 3.26Å; E488-S490 PolarHBondContact O-N 3.37Å; E488-S490 VanDerWaalsContact O-N 3.12Å; E488-F491 HydrophobicContact CB-CB 4.17Å; E488-F491 WeakPolarHBondContact O-CA 3.38Å; E488-F491 WeakPolarHBondContact O-CB 3.4Å; E488-F491 PolarHBondContact O-N 3.1Å; E488-V492 PolarHBondContact O-N 3.33Å; E488-V492 VanDerWaalsContact O-N 3.07Å; E488-L535 HydrophobicContact CB-CD2 3.82Å; E488-L535 HydrophobicContact CG-CD2 3.93Å
489K95.2Very high92.5Very high186 Ų18658.6 Ų58.681%0.80931%0.311SS*.Hα-helixtrans-55-38.2-175.9-69.2-178.5179.5177.90112.3N487 K493N487-K489 PolarHBondContact O-N 3.27Å; K489-K493 WeakPolarHBondContact O-CB 3.33Å; K489-K493 PolarHBondContact O-N 2.96Å
490S95.6Very high93Very high11 Ų1158.4 Ų58.48%0.07730%0.296CS..Hα-helixtrans-69.6-31.7178.456.90000113.2E488 L494E488-S490 PolarHBondContact O-N 3.37Å; E488-S490 VanDerWaalsContact O-N 3.12Å; S490-L494 VanDerWaalsContact O-CB 3.3Å; S490-L494 WeakPolarHBondContact O-CB 3.4Å; S490-L494 PolarHBondContact O-N 3.12Å; S490-L494 VanDerWaalsContact O-N 3.12Å
491F95.7Very high93.4Very high8 Ų851 Ų514%0.03526%0.261CS..Hα-helixtrans-67.7-51.1173.9-178.3-85.7000110.1L8 W481 T485 V486 E488 K493 L494 A495 L535 I548 I552L8-F491 HydrophobicContact CD1-CZ 4.45Å; W481-F491 HydrophobicContact CE3-CE1 4.45Å; W481-F491 HydrophobicContact CE3-CZ 4.39Å; W481-F491 HydrophobicContact CZ3-CE1 4.35Å; W481-F491 HydrophobicContact CZ3-CZ 4.28Å; T485-F491 HydrophobicContact CG2-CD2 3.46Å; T485-F491 VanDerWaalsContact CG2-CD2 3.46Å; T485-F491 HydrophobicContact CG2-CE2 3.69Å; T485-F491 HydrophobicContact CG2-CG 4.09Å; T485-F491 HydrophobicContact CG2-CZ 4.48Å; T485-F491 WeakPolarHBondContact O-CB 3.21Å; T485-F491 WeakPolarHBondContact O-CG 3.48Å; V486-F491 HydrophobicContact CB-CD1 4.35Å; V486-F491 HydrophobicContact CB-CE1 4.24Å; V486-F491 HydrophobicContact CG1-CD1 4.35Å; V486-F491 HydrophobicContact CG1-CE1 3.84Å; V486-F491 HydrophobicContact CG1-CZ 4.16Å; E488-F491 HydrophobicContact CB-CB 4.17Å; E488-F491 WeakPolarHBondContact O-CA 3.38Å; E488-F491 WeakPolarHBondContact O-CB 3.4Å; E488-F491 PolarHBondContact O-N 3.1Å; F491-K493 VanDerWaalsContact C-N 3.32Å; F491-K493 PolarHBondContact O-N 3.42Å; F491-L494 PolarHBondContact O-N 3.07Å; F491-A495 HydrophobicContact CE1-CB 4.35Å; F491-A495 WeakPolarHBondContact O-CB 3.45Å; F491-A495 PolarHBondContact O-N 3.43Å; F491-L535 HydrophobicContact CB-CD1 3.86Å; F491-L535 HydrophobicContact CB-CD2 4.39Å; F491-L535 HydrophobicContact CD2-CD1 4Å; F491-L535 HydrophobicContact CG-CD1 4.45Å; F491-I548 HydrophobicContact CE2-CG2 3.81Å; F491-I548 HydrophobicContact CZ-CG2 3.92Å; F491-I552 HydrophobicContact CD1-CD1 4.49Å; F491-I552 HydrophobicContact CD2-CB 4.43Å; F491-I552 HydrophobicContact CD2-CD1 3.67Å; F491-I552 HydrophobicContact CD2-CG2 3.97Å; F491-I552 HydrophobicContact CE1-CD1 4.45Å; F491-I552 HydrophobicContact CE2-CB 3.9Å; F491-I552 HydrophobicContact CE2-CD1 3.64Å; F491-I552 HydrophobicContact CE2-CG1 4.35Å; F491-I552 HydrophobicContact CE2-CG2 3.81Å; F491-I552 HydrophobicContact CG-CD1 4.12Å; F491-I552 HydrophobicContact CZ-CD1 4.05Å
492V93.9Very high93.4Very high81 Ų8151.5 Ų51.549%0.49127%0.268SS..Hα-helixtrans-57.3-47-179.8179.10000110.9V486 E488 L494 A495 D496V486-V492 WeakPolarHBondContact O-CG2 3.48Å; E488-V492 PolarHBondContact O-N 3.33Å; E488-V492 VanDerWaalsContact O-N 3.07Å; V492-L494 PolarHBondContact O-N 2.73Å; V492-A495 PolarHBondContact O-N 3.37Å; V492-D496 WeakPolarHBondContact O-CB 3.26Å; V492-D496 PolarHBondContact O-N 2.78Å
493K95.3Very high93.4Very high104 Ų10455.1 Ų55.145%0.45229%0.29SS..Hα-helixtrans-61.1-45.3178.7-168.8-174.3-173.4-157.50112.3K489 F491 D496 Q497 D527K489-K493 WeakPolarHBondContact O-CB 3.33Å; K489-K493 PolarHBondContact O-N 2.96Å; F491-K493 VanDerWaalsContact C-N 3.32Å; F491-K493 PolarHBondContact O-N 3.42Å; K493-D496 PolarHBondContact O-N 3.34Å; K493-Q497 WeakPolarHBondContact O-CB 3.5Å; K493-Q497 PolarHBondContact O-N 3.21Å; K493-D527 WeakPolarHBondContact CD-OD1 3.44Å; K493-D527 WeakPolarHBondContact CE-OD1 3.5Å; K493-D527 IonicContact NZ-OD1 2.74Å; K493-D527 PolarHBondContact NZ-OD1 2.9Å
494L96.5Very high93.6Very high0 Ų052.8 Ų52.80%027%0.273CS..Hα-helixtrans-66.8-39.6178.9-17958.3000111.5S490 F491 V492 Q497 L498 L524 D527 V528 A531 I552 F553S490-L494 VanDerWaalsContact O-CB 3.3Å; S490-L494 WeakPolarHBondContact O-CB 3.4Å; S490-L494 PolarHBondContact O-N 3.12Å; S490-L494 VanDerWaalsContact O-N 3.12Å; F491-L494 PolarHBondContact O-N 3.07Å; V492-L494 PolarHBondContact O-N 2.73Å; L494-Q497 PolarHBondContact O-N 3.04Å; L494-L498 HydrophobicContact CD1-CD1 4.49Å; L494-L498 HydrophobicContact CD1-CG 4.4Å; L494-L498 HydrophobicContact CG-CD1 4.21Å; L494-L498 WeakPolarHBondContact O-CB 3.22Å; L494-L498 VanDerWaalsContact O-CG 3.24Å; L494-L498 WeakPolarHBondContact O-CG 3.42Å; L494-L498 PolarHBondContact O-N 2.88Å; L494-L524 HydrophobicContact CD1-CD1 3.65Å; L494-D527 HydrophobicContact CD1-CB 4.11Å; L494-V528 HydrophobicContact CD1-CG2 3.83Å; L494-V528 HydrophobicContact CD2-CG2 4.4Å; L494-A531 HydrophobicContact CD2-CB 3.73Å; L494-I552 HydrophobicContact CB-CD1 3.84Å; L494-I552 HydrophobicContact CD2-CD1 3.86Å; L494-I552 HydrophobicContact CD2-CG1 3.77Å; L494-I552 HydrophobicContact CD2-CG2 4.46Å; L494-I552 HydrophobicContact CG-CD1 3.75Å; L494-I552 HydrophobicContact CG-CG1 3.89Å; L494-F553 HydrophobicContact CD2-CE1 4.46Å
495A94.6Very high93.6Very high6 Ų649.3 Ų49.35%0.0525%0.251CS..Hα-helixtrans-64.9-42.6177.500000111.6L8 F491 V492 L498 C499 I552L8-A495 HydrophobicContact CD1-CB 4.28Å; F491-A495 HydrophobicContact CE1-CB 4.35Å; F491-A495 WeakPolarHBondContact O-CB 3.45Å; F491-A495 PolarHBondContact O-N 3.43Å; V492-A495 PolarHBondContact O-N 3.37Å; A495-L498 PolarHBondContact O-N 3.25Å; A495-C499 PolarHBondContact O-N 2.93Å; A495-C499 VanDerWaalsContact O-N 3.08Å; A495-C499 PolarHBondContact O-SG 3.28Å; A495-I552 HydrophobicContact CB-CD1 4.01Å
496D93.9Very high93.5Very high100 Ų10052.1 Ų52.154%0.53526%0.264SS..Hα-helixtrans-61-48.5174-175.964.3000111.3V492 K493 L498 C499 R500V492-D496 WeakPolarHBondContact O-CB 3.26Å; V492-D496 PolarHBondContact O-N 2.78Å; K493-D496 PolarHBondContact O-N 3.34Å; D496-L498 VanDerWaalsContact C-N 3.32Å; D496-L498 PolarHBondContact O-N 3.48Å; D496-C499 PolarHBondContact O-N 3.44Å; D496-C499 VanDerWaalsContact O-N 3.09Å; D496-R500 WeakPolarHBondContact O-CG 3.33Å; D496-R500 PolarHBondContact O-N 3.41Å; D496-R500 VanDerWaalsContact O-N 3.13Å
497Q95.9Very high93.5Very high7 Ų753.4 Ų53.43%0.03327%0.272CS..Hα-helixtrans-57.3-44.9176.9-175.262.66.500111.6K493 L494 C499 R500 Y520 L524K493-Q497 WeakPolarHBondContact O-CB 3.5Å; K493-Q497 PolarHBondContact O-N 3.21Å; L494-Q497 PolarHBondContact O-N 3.04Å; Q497-C499 VanDerWaalsContact C-N 3.32Å; Q497-C499 PolarHBondContact O-N 3.12Å; Q497-R500 WeakPolarHBondContact O-CB 3.45Å; Q497-R500 PolarHBondContact O-N 3.28Å; Q497-R500 VanDerWaalsContact OE1-NH1 3.07Å; Q497-Y520 HydrophobicContact CG-CE2 4.19Å; Q497-Y520 VanDerWaalsContact NE2-CD2 3.27Å; Q497-Y520 PolarHBondContact NE2-O 2.98Å; Q497-Y520 VanDerWaalsContact O-CE2 3.23Å; Q497-Y520 WeakPolarHBondContact O-CE2 3.44Å; Q497-Y520 PolarHBondContact O-OH 3.38Å; Q497-Y520 VanDerWaalsContact O-OH 3.09Å; Q497-L524 HydrophobicContact CG-CB 4.33Å; Q497-L524 HydrophobicContact CG-CD1 4.24Å
498L94.8Very high93.5Very high1 Ų147.7 Ų47.71%0.00524%0.241CC..Hα-helixtrans-59.7-40.8176.5-74.4170.2000112.7L8 L11 L494 A495 D496 R500 F501 L524 I552 A555 V559L8-L498 HydrophobicContact CD2-CB 4.3Å; L8-L498 HydrophobicContact CD2-CD1 3.55Å; L11-L498 HydrophobicContact CD1-CB 3.72Å; L11-L498 HydrophobicContact CD1-CD2 4.4Å; L11-L498 WeakPolarHBondContact CD1-O 3.41Å; L494-L498 HydrophobicContact CD1-CD1 4.49Å; L494-L498 HydrophobicContact CD1-CG 4.4Å; L494-L498 HydrophobicContact CG-CD1 4.21Å; L494-L498 WeakPolarHBondContact O-CB 3.22Å; L494-L498 VanDerWaalsContact O-CG 3.24Å; L494-L498 WeakPolarHBondContact O-CG 3.42Å; L494-L498 PolarHBondContact O-N 2.88Å; A495-L498 PolarHBondContact O-N 3.25Å; D496-L498 VanDerWaalsContact C-N 3.32Å; D496-L498 PolarHBondContact O-N 3.48Å; L498-R500 VanDerWaalsContact C-N 3.27Å; L498-R500 PolarHBondContact O-N 3.02Å; L498-F501 WeakPolarHBondContact O-CB 3.41Å; L498-F501 PolarHBondContact O-N 2.93Å; L498-F501 VanDerWaalsContact O-N 3.17Å; L498-L524 HydrophobicContact CD2-CD1 3.82Å; L498-L524 HydrophobicContact CG-CD1 4.3Å; L498-I552 HydrophobicContact CD1-CD1 4.42Å; L498-I552 HydrophobicContact CD1-CG1 3.66Å; L498-A555 HydrophobicContact CD1-CB 4.14Å; L498-V559 HydrophobicContact CD2-CB 4.11Å; L498-V559 HydrophobicContact CD2-CG1 4.42Å; L498-V559 HydrophobicContact CD2-CG2 3.96Å
499C91.8Very high93.4Very high35 Ų3544.2 Ų44.224%0.23623%0.225CC..Hα-helixtrans-71.8-19.8179.6-63.30000114.1C7 A495 D496 Q497 F501 S502C7-C499 HydrophobicContact CB-CB 4.16Å; C7-C499 WeakPolarHBondContact CB-SG 3.37Å; C7-C499 WeakPolarHBondContact SG-CA 3.43Å; C7-C499 WeakPolarHBondContact SG-CB 3.48Å; C7-C499 CovalentContact SG-SG 2.05Å; C7-C499 PolarHBondContact SG-SG 3.12Å; A495-C499 PolarHBondContact O-N 2.93Å; A495-C499 VanDerWaalsContact O-N 3.08Å; A495-C499 PolarHBondContact O-SG 3.28Å; D496-C499 PolarHBondContact O-N 3.44Å; D496-C499 VanDerWaalsContact O-N 3.09Å; Q497-C499 VanDerWaalsContact C-N 3.32Å; Q497-C499 PolarHBondContact O-N 3.12Å; C499-F501 PolarHBondContact O-N 3.37Å; C499-S502 PolarHBondContact O-OG 3.34Å
500R92.5Very high93.1Very high127 Ų12737.1 Ų37.148%0.47920%0.199SC..THydrogen-bonded Turntrans-71.8-15.3171.7-66.2172.266.4-167.96.3113.4D496 Q497 L498 S502 T503 V504 Y520D496-R500 WeakPolarHBondContact O-CG 3.33Å; D496-R500 PolarHBondContact O-N 3.41Å; D496-R500 VanDerWaalsContact O-N 3.13Å; Q497-R500 WeakPolarHBondContact O-CB 3.45Å; Q497-R500 PolarHBondContact O-N 3.28Å; Q497-R500 VanDerWaalsContact OE1-NH1 3.07Å; L498-R500 VanDerWaalsContact C-N 3.27Å; L498-R500 PolarHBondContact O-N 3.02Å; R500-S502 PolarHBondContact O-N 3.46Å; R500-T503 PolarHBondContact O-N 2.87Å; R500-T503 VanDerWaalsContact O-N 3.1Å; R500-V504 PolarHBondContact O-N 3.44Å; R500-V504 VanDerWaalsContact O-N 3.08Å; R500-Y520 HydrophobicContact CB-CE2 4.39Å
501F93.6Very high92.9Very high3 Ų340.9 Ų40.91%0.01321%0.214CC..Hα-helixtrans-53.2-41-178.2-177.3-127000112.9L11 P16 V17 V20 L498 C499 T503 V504 L505 Y520 V559L11-F501 HydrophobicContact CD2-CD1 4.06Å; P16-F501 HydrophobicContact CG-CE1 4.47Å; V17-F501 HydrophobicContact CG2-CE1 4.07Å; V17-F501 HydrophobicContact CG2-CZ 3.96Å; V20-F501 HydrophobicContact CG2-CD1 4.39Å; L498-F501 WeakPolarHBondContact O-CB 3.41Å; L498-F501 PolarHBondContact O-N 2.93Å; L498-F501 VanDerWaalsContact O-N 3.17Å; C499-F501 PolarHBondContact O-N 3.37Å; F501-T503 PolarHBondContact O-N 3.17Å; F501-V504 PolarHBondContact O-N 3.21Å; F501-L505 VanDerWaalsContact O-CB 3.27Å; F501-L505 WeakPolarHBondContact O-CB 3.49Å; F501-L505 PolarHBondContact O-N 3.48Å; F501-Y520 HydrophobicContact CB-CE1 4.3Å; F501-Y520 HydrophobicContact CB-CE2 4.43Å; F501-Y520 WeakPolarHBondContact CB-OH 3.42Å; F501-Y520 HydrophobicContact CD2-CD1 4.12Å; F501-Y520 AromaticContact CD2-CE1 3.54Å; F501-Y520 HydrophobicContact CD2-CE1 3.54Å; F501-Y520 AromaticContact CD2-CZ 3.96Å; F501-Y520 HydrophobicContact CE2-CE1 4.33Å; F501-Y520 HydrophobicContact CG-CE1 4.29Å; F501-V559 HydrophobicContact CB-CG1 4.21Å; F501-V559 HydrophobicContact CD1-CG1 4.1Å; F501-V559 HydrophobicContact CD1-CG2 4.13Å; F501-V559 HydrophobicContact CD2-CG1 3.67Å; F501-V559 HydrophobicContact CE1-CG1 4.42Å; F501-V559 HydrophobicContact CE2-CG1 4.03Å; F501-V559 HydrophobicContact CG-CG1 3.72Å; F501-V559 HydrophobicContact CG-CG2 4.42Å; F501-V559 HydrophobicContact CZ-CG1 4.39Å
502S89.4Confident92.9Very high33 Ų3340.5 Ų40.523%0.23121%0.212CC..Hα-helixtrans-60.5-44.3179.662.70000112.4C499 R500 L505 H506C499-S502 PolarHBondContact O-OG 3.34Å; R500-S502 PolarHBondContact O-N 3.46Å; S502-L505 PolarHBondContact O-N 2.92Å; S502-H506 PolarHBondContact O-CD2 2.8Å; S502-H506 PolarHBondContact O-N 3.08Å
503T91.3Very high93Very high90 Ų9037.2 Ų37.255%0.55219%0.191SC*.Hα-helixtrans-68.2-41.5-179.8-56.20000110.9R500 F501 H506 T507R500-T503 PolarHBondContact O-N 2.87Å; R500-T503 VanDerWaalsContact O-N 3.1Å; F501-T503 PolarHBondContact O-N 3.17Å; T503-H506 PolarHBondContact O-N 3.34Å; T503-T507 WeakPolarHBondContact O-CB 3.36Å; T503-T507 PolarHBondContact O-N 3.38Å; T503-T507 PolarHBondContact O-OG1 3.03Å
504V93.1Very high93Very high24 Ų2432.4 Ų32.415%0.14517%0.17CC..Hα-helixtrans-62.8-44.2175.6173.70000110.8R500 F501 T507 A508 Y520R500-V504 PolarHBondContact O-N 3.44Å; R500-V504 VanDerWaalsContact O-N 3.08Å; F501-V504 PolarHBondContact O-N 3.21Å; V504-T507 PolarHBondContact O-N 3.37Å; V504-A508 VanDerWaalsContact O-CB 3.25Å; V504-A508 WeakPolarHBondContact O-CB 3.44Å; V504-A508 PolarHBondContact O-N 3.24Å; V504-Y520 HydrophobicContact CB-CD2 4.36Å; V504-Y520 HydrophobicContact CB-CG 4.35Å; V504-Y520 HydrophobicContact CG1-CG 4.07Å; V504-Y520 HydrophobicContact CG2-CD2 3.72Å; V504-Y520 HydrophobicContact CG2-CE2 4.49Å; V504-Y520 HydrophobicContact CG2-CG 4.07Å
505L91.6Very high93Very high1 Ų134 Ų341%0.00518%0.178CC..Hα-helixtrans-61.3-47.5178.5-179.964.9000111.6V17 L21 F68 F501 S502 T507 A508 Y509 L566V17-L505 HydrophobicContact CB-CD2 4.29Å; V17-L505 HydrophobicContact CG1-CD1 4.41Å; V17-L505 HydrophobicContact CG1-CD2 3.55Å; V17-L505 HydrophobicContact CG2-CD2 4.32Å; L21-L505 HydrophobicContact CD2-CD2 4.33Å; L21-L505 HydrophobicContact CG-CD2 4.45Å; F68-L505 HydrophobicContact CE2-CD1 3.8Å; F68-L505 HydrophobicContact CE2-CD2 4.14Å; F68-L505 HydrophobicContact CE2-CG 3.61Å; F68-L505 HydrophobicContact CZ-CD2 4.4Å; F68-L505 HydrophobicContact CZ-CG 3.9Å; F501-L505 VanDerWaalsContact O-CB 3.27Å; F501-L505 WeakPolarHBondContact O-CB 3.49Å; F501-L505 PolarHBondContact O-N 3.48Å; S502-L505 PolarHBondContact O-N 2.92Å; L505-T507 VanDerWaalsContact C-N 3.34Å; L505-T507 PolarHBondContact O-N 3.23Å; L505-A508 PolarHBondContact O-N 3.23Å; L505-Y509 WeakPolarHBondContact O-CB 3.28Å; L505-Y509 PolarHBondContact O-N 3.01Å; L505-L566 HydrophobicContact CD1-CD1 3.67Å; L505-L566 HydrophobicContact CD1-CD2 4.39Å
506H90.4Very high93.1Very high59 Ų5938.1 Ų38.127%0.27319%0.193SC..Hα-helixtrans-60.9-41175.3-80.4-60.6000112.7N24 F68 S502 T503 S510N24-H506 PolarHBondContact ND2-NE2 2.8Å; F68-H506 AromaticContact CE1-CE1 3.83Å; F68-H506 AromaticContact CE1-ND1 3.59Å; F68-H506 AromaticContact CZ-ND1 3.8Å; S502-H506 PolarHBondContact O-CD2 2.8Å; S502-H506 PolarHBondContact O-N 3.08Å; T503-H506 PolarHBondContact O-N 3.34Å; H506-S510 VanDerWaalsContact O-CB 3.24Å; H506-S510 WeakPolarHBondContact O-CB 3.36Å; H506-S510 PolarHBondContact O-N 2.81Å; H506-S510 PolarHBondContact O-OG 3.15Å
507T91.7Very high93.2Very high43 Ų4333.5 Ų33.526%0.26417%0.168SC..Hα-helixtrans-65.1-46.6177.3-56.80000111.1T503 V504 L505 Y509 S510 K511 Y516T503-T507 WeakPolarHBondContact O-CB 3.36Å; T503-T507 PolarHBondContact O-N 3.38Å; T503-T507 PolarHBondContact O-OG1 3.03Å; V504-T507 PolarHBondContact O-N 3.37Å; L505-T507 VanDerWaalsContact C-N 3.34Å; L505-T507 PolarHBondContact O-N 3.23Å; T507-Y509 VanDerWaalsContact C-N 3.34Å; T507-Y509 PolarHBondContact O-N 2.86Å; T507-S510 PolarHBondContact O-N 3.39Å; T507-K511 HydrophobicContact CG2-CD 4.13Å; T507-K511 WeakPolarHBondContact O-CB 3.48Å; T507-K511 PolarHBondContact O-N 3.49Å; T507-Y516 HydrophobicContact CG2-CD2 3.84Å; T507-Y516 HydrophobicContact CG2-CE2 3.9Å; T507-Y516 HydrophobicContact CG2-CG 4.3Å
508A93Very high93.3Very high0 Ų033.1 Ų33.10%017%0.167CC..Hα-helixtrans-64.1-38.2-179.500000112.1F60 V504 L505 Y512 E513 V517F60-A508 HydrophobicContact CZ-CB 4.11Å; V504-A508 VanDerWaalsContact O-CB 3.25Å; V504-A508 WeakPolarHBondContact O-CB 3.44Å; V504-A508 PolarHBondContact O-N 3.24Å; L505-A508 PolarHBondContact O-N 3.23Å; A508-Y512 WeakPolarHBondContact O-CA 3.42Å; A508-Y512 PolarHBondContact O-N 2.99Å; A508-E513 PolarHBondContact O-N 3.37Å; A508-V517 HydrophobicContact CB-CG2 3.55Å
509Y91.8Very high93.4Very high10 Ų1036.5 Ų36.54%0.03918%0.182CC..Hα-helixtrans-68.5-46172.5173.3-116.4000112.3V64 N65 F68 H70 R262 R313 L505 T507 K511 Y512V64-Y509 HydrophobicContact CG1-CD2 4.36Å; V64-Y509 HydrophobicContact CG2-CD2 4.17Å; V64-Y509 HydrophobicContact CG2-CG 4.45Å; N65-Y509 WeakPolarHBondContact OD1-CE2 3.37Å; F68-Y509 HydrophobicContact CB-CD2 4.32Å; F68-Y509 HydrophobicContact CB-CE2 4.01Å; F68-Y509 AromaticContact CD1-CD1 3.53Å; F68-Y509 HydrophobicContact CD1-CD1 3.53Å; F68-Y509 HydrophobicContact CD1-CD2 4.22Å; F68-Y509 AromaticContact CD1-CE1 3.56Å; F68-Y509 HydrophobicContact CD1-CE1 3.56Å; F68-Y509 HydrophobicContact CD1-CE2 4.26Å; F68-Y509 AromaticContact CD1-CG 3.88Å; F68-Y509 HydrophobicContact CD1-CG 3.88Å; F68-Y509 AromaticContact CD1-CZ 3.96Å; F68-Y509 HydrophobicContact CD2-CD1 4.26Å; F68-Y509 AromaticContact CD2-CD2 3.77Å; F68-Y509 HydrophobicContact CD2-CD2 3.77Å; F68-Y509 HydrophobicContact CD2-CE2 4.32Å; F68-Y509 AromaticContact CD2-CG 3.75Å; F68-Y509 HydrophobicContact CD2-CG 3.75Å; F68-Y509 AromaticContact CE1-CD1 3.29Å; F68-Y509 HydrophobicContact CE1-CD1 3.29Å; F68-Y509 HydrophobicContact CE1-CD2 4.49Å; F68-Y509 AromaticContact CE1-CE1 3.77Å; F68-Y509 HydrophobicContact CE1-CE1 3.77Å; F68-Y509 AromaticContact CE1-CG 3.73Å; F68-Y509 HydrophobicContact CE1-CG 3.73Å; F68-Y509 HydrophobicContact CE2-CD1 4.06Å; F68-Y509 HydrophobicContact CE2-CD2 4.06Å; F68-Y509 AromaticContact CE2-CG 3.58Å; F68-Y509 HydrophobicContact CE2-CG 3.58Å; F68-Y509 HydrophobicContact CG-CD1 4.01Å; F68-Y509 AromaticContact CG-CD2 3.84Å; F68-Y509 HydrophobicContact CG-CD2 3.84Å; F68-Y509 HydrophobicContact CG-CE1 4.1Å; F68-Y509 AromaticContact CG-CE2 3.94Å; F68-Y509 HydrophobicContact CG-CE2 3.94Å; F68-Y509 AromaticContact CG-CG 3.89Å; F68-Y509 HydrophobicContact CG-CG 3.89Å; F68-Y509 VanDerWaalsContact CZ-CB 3.42Å; F68-Y509 AromaticContact CZ-CD1 3.59Å; F68-Y509 HydrophobicContact CZ-CD1 3.59Å; F68-Y509 HydrophobicContact CZ-CD2 4.42Å; F68-Y509 HydrophobicContact CZ-CE1 4.45Å; F68-Y509 AromaticContact CZ-CG 3.57Å; F68-Y509 HydrophobicContact CZ-CG 3.57Å; H70-Y509 AromaticContact NE2-CE2 3.92Å; H70-Y509 AromaticContact NE2-CZ 3.54Å; H70-Y509 PolarHBondContact NE2-OH 3.06Å; R262-Y509 PolarHBondContact NH2-OH 3.26Å; R313-Y509 WeakPolarHBondContact CD-OH 3.36Å; R313-Y509 HydrophobicContact CG-CE1 4.39Å; R313-Y509 WeakPolarHBondContact CG-O 3.29Å; R313-Y509 PolarHBondContact NH1-OH 3.17Å; L505-Y509 WeakPolarHBondContact O-CB 3.28Å; L505-Y509 PolarHBondContact O-N 3.01Å; T507-Y509 VanDerWaalsContact C-N 3.34Å; T507-Y509 PolarHBondContact O-N 2.86Å; Y509-K511 VanDerWaalsContact C-N 3.33Å; Y509-K511 PolarHBondContact O-N 3.09Å; Y509-Y512 HydrophobicContact CD2-CE1 4.3Å; Y509-Y512 WeakPolarHBondContact O-CD1 3.42Å; Y509-Y512 WeakPolarHBondContact O-CE1 3.3Å
510S89.7Confident93.7Very high37 Ų3735.3 Ų35.326%0.25917%0.173SC..Hα-helixtrans-66.6-33.8-177.2-61.20000113.2C311 A312 H506 T507C311-S510 PolarHBondContact SG-O 2.8Å; A312-S510 WeakPolarHBondContact CB-O 3.19Å; A312-S510 PolarHBondContact N-O 3.06Å; H506-S510 VanDerWaalsContact O-CB 3.24Å; H506-S510 WeakPolarHBondContact O-CB 3.36Å; H506-S510 PolarHBondContact O-N 2.81Å; H506-S510 PolarHBondContact O-OG 3.15Å; T507-S510 PolarHBondContact O-N 3.39Å
511K91.3Very high94Very high89 Ų8929.2 Ų29.239%0.38715%0.15SC..Hα-helixtrans-103.1-7.4-177.2-63-175176.5-179.10113.7A312 R393 T507 Y509 E513 Y516A312-K511 WeakPolarHBondContact CB-O 3.36Å; R393-K511 PolarHBondContact NH2-O 3.21Å; R393-K511 VanDerWaalsContact NH2-O 3.1Å; T507-K511 HydrophobicContact CG2-CD 4.13Å; T507-K511 WeakPolarHBondContact O-CB 3.48Å; T507-K511 PolarHBondContact O-N 3.49Å; Y509-K511 VanDerWaalsContact C-N 3.33Å; Y509-K511 PolarHBondContact O-N 3.09Å; K511-E513 VanDerWaalsContact C-N 3.26Å; K511-E513 HydrophobicContact CB-CB 4.04Å; K511-E513 PolarHBondContact O-N 3.49Å; K511-Y516 HydrophobicContact CD-CE2 3.97Å
512Y94.9Very high94.1Very high0 Ų030.8 Ų30.80%016%0.158CC..THydrogen-bonded Turntrans44.853.1-168-67.2-41.6000112.3V61 V64 N65 H264 A312 R313 I318 R393 A508 Y509V61-Y512 HydrophobicContact CG1-CD1 4.13Å; V61-Y512 HydrophobicContact CG1-CD2 4.33Å; V61-Y512 HydrophobicContact CG1-CE1 4.01Å; V61-Y512 HydrophobicContact CG1-CE2 4.17Å; V61-Y512 HydrophobicContact CG1-CG 4.3Å; V61-Y512 HydrophobicContact CG2-CD1 4.3Å; V61-Y512 HydrophobicContact CG2-CG 4.07Å; V64-Y512 HydrophobicContact CG1-CD1 3.79Å; V64-Y512 HydrophobicContact CG1-CE1 3.88Å; N65-Y512 VanDerWaalsContact ND2-CE1 3.28Å; N65-Y512 WeakPolarHBondContact ND2-CE1 3.36Å; N65-Y512 PolarHBondContact ND2-OH 3.28Å; N65-Y512 PolarHBondContact OD1-OH 3.34Å; H264-Y512 AromaticContact CD2-CE2 3.82Å; H264-Y512 AromaticContact CD2-CZ 3.96Å; H264-Y512 PolarHBondContact CD2-OH 2.89Å; H264-Y512 AromaticContact CE1-CE2 3.73Å; H264-Y512 AromaticContact NE2-CE2 3.46Å; H264-Y512 WeakPolarHBondContact NE2-CE2 3.43Å; H264-Y512 AromaticContact NE2-CZ 3.56Å; H264-Y512 PolarHBondContact NE2-OH 2.88Å; A312-Y512 HydrophobicContact CB-CD2 4.04Å; R313-Y512 HydrophobicContact CG-CE1 4.48Å; R313-Y512 HydrophobicContact CG-CE2 4.47Å; I318-Y512 HydrophobicContact CD1-CD2 3.61Å; I318-Y512 HydrophobicContact CD1-CE2 4.08Å; I318-Y512 HydrophobicContact CG1-CD2 4.21Å; R393-Y512 PolarHBondContact NE-O 3.23Å; A508-Y512 WeakPolarHBondContact O-CA 3.42Å; A508-Y512 PolarHBondContact O-N 2.99Å; Y509-Y512 HydrophobicContact CD2-CE1 4.3Å; Y509-Y512 WeakPolarHBondContact O-CD1 3.42Å; Y509-Y512 WeakPolarHBondContact O-CE1 3.3Å
513E95Very high94.5Very high13 Ų1332.8 Ų32.86%0.06116%0.164CC..  trans-122.897.7-172-174.857.5-104.300110.6R393 A508 K511 H515 Y516R393-E513 VanDerWaalsContact CB-OE2 3.32Å; R393-E513 WeakPolarHBondContact CB-OE2 3.23Å; R393-E513 VanDerWaalsContact N-CD 3.32Å; R393-E513 PolarHBondContact N-OE1 3.49Å; R393-E513 PolarHBondContact N-OE2 2.74Å; A508-E513 PolarHBondContact O-N 3.37Å; K511-E513 VanDerWaalsContact C-N 3.26Å; K511-E513 HydrophobicContact CB-CB 4.04Å; K511-E513 PolarHBondContact O-N 3.49Å; E513-H515 HydrophobicContact CG-CB 4.02Å; E513-H515 PolarHBondContact O-N 2.96Å; E513-H515 WeakPolarHBondContact OE1-CB 3.19Å; E513-H515 PolarHBondContact OE1-N 3.32Å; E513-Y516 HydrophobicContact CB-CD2 3.63Å; E513-Y516 HydrophobicContact CB-CE2 3.63Å; E513-Y516 HydrophobicContact CG-CD2 3.59Å; E513-Y516 HydrophobicContact CG-CE2 3.46Å; E513-Y516 VanDerWaalsContact CG-CE2 3.46Å; E513-Y516 HydrophobicContact CG-CG 4.5Å; E513-Y516 PolarHBondContact O-N 3.48Å
514P96.5Very high94.9Very high2 Ų228.6 Ų28.61%0.01314%0.138CC..Hα-helixtrans-66-21.3-178.524.8-32.7000113F60 F389 Y516 V517 L518F60-P514 HydrophobicContact CB-CB 4.39Å; F60-P514 HydrophobicContact CD1-CB 3.92Å; F60-P514 HydrophobicContact CD1-CG 4.11Å; F60-P514 HydrophobicContact CD2-CB 3.67Å; F60-P514 HydrophobicContact CE1-CB 4.11Å; F60-P514 HydrophobicContact CE1-CG 4.47Å; F60-P514 HydrophobicContact CE2-CB 3.87Å; F60-P514 HydrophobicContact CG-CB 3.7Å; F60-P514 HydrophobicContact CG-CG 4.21Å; F60-P514 HydrophobicContact CZ-CB 4.1Å; F389-P514 HydrophobicContact CB-CB 4.22Å; F389-P514 HydrophobicContact CB-CG 4.44Å; F389-P514 HydrophobicContact CD1-CB 3.66Å; F389-P514 HydrophobicContact CD1-CG 3.31Å; F389-P514 HydrophobicContact CD2-CB 3.72Å; F389-P514 HydrophobicContact CD2-CG 4.32Å; F389-P514 HydrophobicContact CE1-CB 3.83Å; F389-P514 HydrophobicContact CE1-CG 3.44Å; F389-P514 VanDerWaalsContact CE1-CG 3.44Å; F389-P514 HydrophobicContact CE2-CB 3.87Å; F389-P514 HydrophobicContact CE2-CG 4.42Å; F389-P514 HydrophobicContact CG-CB 3.6Å; F389-P514 HydrophobicContact CG-CG 3.79Å; F389-P514 HydrophobicContact CZ-CB 3.92Å; F389-P514 HydrophobicContact CZ-CG 4.01Å; P514-Y516 VanDerWaalsContact C-N 3.26Å; P514-Y516 PolarHBondContact O-N 3.17Å; P514-V517 PolarHBondContact O-N 3.23Å; P514-L518 PolarHBondContact O-N 3.07Å; P514-L518 VanDerWaalsContact O-N 3.09Å
515H96.2Very high95.1Very high34 Ų3427.6 Ų27.616%0.15713%0.132CC..Hα-helixtrans-53.5-42178.3179.970.9000112.6F389 A390 E513 V517 L518 Q519F389-H515 WeakPolarHBondContact O-CA 3.41Å; F389-H515 PolarHBondContact O-ND1 2.57Å; F389-H515 VanDerWaalsContact O-ND1 3.09Å; A390-H515 PolarHBondContact O-CE1 3.09Å; A390-H515 PolarHBondContact O-ND1 3.08Å; E513-H515 HydrophobicContact CG-CB 4.02Å; E513-H515 PolarHBondContact O-N 2.96Å; E513-H515 WeakPolarHBondContact OE1-CB 3.19Å; E513-H515 PolarHBondContact OE1-N 3.32Å; H515-V517 VanDerWaalsContact C-N 3.32Å; H515-V517 PolarHBondContact O-N 3.08Å; H515-L518 PolarHBondContact O-N 2.56Å; H515-Q519 PolarHBondContact CE1-NE2 2.96Å; H515-Q519 WeakPolarHBondContact O-CG 3.4Å; H515-Q519 PolarHBondContact O-N 2.91Å
516Y95.9Very high95.3Very high92 Ų9230.5 Ų30.536%0.36115%0.153SC..Hα-helixtrans-63.5-38179-62.5-59.8000112.6T507 K511 E513 P514 Y520T507-Y516 HydrophobicContact CG2-CD2 3.84Å; T507-Y516 HydrophobicContact CG2-CE2 3.9Å; T507-Y516 HydrophobicContact CG2-CG 4.3Å; K511-Y516 HydrophobicContact CD-CE2 3.97Å; E513-Y516 HydrophobicContact CB-CD2 3.63Å; E513-Y516 HydrophobicContact CB-CE2 3.63Å; E513-Y516 HydrophobicContact CG-CD2 3.59Å; E513-Y516 HydrophobicContact CG-CE2 3.46Å; E513-Y516 VanDerWaalsContact CG-CE2 3.46Å; E513-Y516 HydrophobicContact CG-CG 4.5Å; E513-Y516 PolarHBondContact O-N 3.48Å; P514-Y516 VanDerWaalsContact C-N 3.26Å; P514-Y516 PolarHBondContact O-N 3.17Å; Y516-Y520 VanDerWaalsContact O-CB 3.29Å; Y516-Y520 WeakPolarHBondContact O-CB 3.43Å; Y516-Y520 PolarHBondContact O-N 3.25Å
517V97.2Very high95.7Very high3 Ų327.9 Ų27.92%0.01814%0.141CC..Hα-helixtrans-66.9-42.8177.4-179.90000110.5F60 A508 P514 H515 Y520 A521 C563 L566 M567F60-V517 HydrophobicContact CE2-CG2 4.02Å; F60-V517 HydrophobicContact CZ-CG2 4.33Å; A508-V517 HydrophobicContact CB-CG2 3.55Å; P514-V517 PolarHBondContact O-N 3.23Å; H515-V517 VanDerWaalsContact C-N 3.32Å; H515-V517 PolarHBondContact O-N 3.08Å; V517-Y520 PolarHBondContact O-N 3.4Å; V517-A521 WeakPolarHBondContact O-CB 3.45Å; V517-A521 PolarHBondContact O-N 3.12Å; V517-C563 HydrophobicContact CG1-CB 3.82Å; V517-L566 HydrophobicContact CG1-CB 4.44Å; V517-L566 HydrophobicContact CG1-CD1 4.48Å; V517-M567 HydrophobicContact CG1-CG 4.17Å
518L97.6Very high96Very high0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-63.4-49.8177.5178.560.4000111.7T386 F389 A390 L432 P514 H515 Y520 A521 L522 M567T386-L518 HydrophobicContact CG2-CD1 3.81Å; T386-L518 VanDerWaalsContact O-CD2 3.23Å; T386-L518 WeakPolarHBondContact O-CD2 3.17Å; F389-L518 VanDerWaalsContact C-CD2 3.47Å; F389-L518 HydrophobicContact CB-CB 4.4Å; F389-L518 HydrophobicContact CB-CD2 3.98Å; A390-L518 HydrophobicContact CB-CD2 4.35Å; L432-L518 HydrophobicContact CD1-CD1 3.9Å; P514-L518 PolarHBondContact O-N 3.07Å; P514-L518 VanDerWaalsContact O-N 3.09Å; H515-L518 PolarHBondContact O-N 2.56Å; L518-Y520 VanDerWaalsContact C-N 3.29Å; L518-Y520 PolarHBondContact O-N 3.4Å; L518-A521 PolarHBondContact O-N 3.34Å; L518-A521 VanDerWaalsContact O-N 3.16Å; L518-L522 HydrophobicContact CD1-CD1 4.05Å; L518-L522 HydrophobicContact CD1-CG 4.1Å; L518-L522 HydrophobicContact CG-CD1 3.97Å; L518-L522 HydrophobicContact CG-CG 4.45Å; L518-L522 VanDerWaalsContact O-CG 3.31Å; L518-L522 WeakPolarHBondContact O-CG 3.34Å; L518-L522 PolarHBondContact O-N 2.87Å; L518-M567 HydrophobicContact CB-SD 3.93Å; L518-M567 HydrophobicContact CD1-CE 4.42Å; L518-M567 HydrophobicContact CD1-SD 4.08Å
519Q97Very high96.2Very high71 Ų7128.5 Ų28.533%0.33214%0.142SC..Hα-helixtrans-59.3-42.9179.5-68-54.6-42.100111.6H515 L522 Q523H515-Q519 PolarHBondContact CE1-NE2 2.96Å; H515-Q519 WeakPolarHBondContact O-CG 3.4Å; H515-Q519 PolarHBondContact O-N 2.91Å; Q519-L522 PolarHBondContact O-N 3.41Å; Q519-Q523 PolarHBondContact O-N 3.42Å
520Y97.8Very high96.4Very high10 Ų1030.1 Ų30.14%0.03916%0.155CC..Hα-helixtrans-60.7-46.2174.5172.9-93.8000112.6Q497 R500 F501 V504 Y516 V517 L518 L522 Q523 L524 V559Q497-Y520 HydrophobicContact CG-CE2 4.19Å; Q497-Y520 VanDerWaalsContact NE2-CD2 3.27Å; Q497-Y520 PolarHBondContact NE2-O 2.98Å; Q497-Y520 VanDerWaalsContact O-CE2 3.23Å; Q497-Y520 WeakPolarHBondContact O-CE2 3.44Å; Q497-Y520 PolarHBondContact O-OH 3.38Å; Q497-Y520 VanDerWaalsContact O-OH 3.09Å; R500-Y520 HydrophobicContact CB-CE2 4.39Å; F501-Y520 HydrophobicContact CB-CE1 4.3Å; F501-Y520 HydrophobicContact CB-CE2 4.43Å; F501-Y520 WeakPolarHBondContact CB-OH 3.42Å; F501-Y520 HydrophobicContact CD2-CD1 4.12Å; F501-Y520 AromaticContact CD2-CE1 3.54Å; F501-Y520 HydrophobicContact CD2-CE1 3.54Å; F501-Y520 AromaticContact CD2-CZ 3.96Å; F501-Y520 HydrophobicContact CE2-CE1 4.33Å; F501-Y520 HydrophobicContact CG-CE1 4.29Å; V504-Y520 HydrophobicContact CB-CD2 4.36Å; V504-Y520 HydrophobicContact CB-CG 4.35Å; V504-Y520 HydrophobicContact CG1-CG 4.07Å; V504-Y520 HydrophobicContact CG2-CD2 3.72Å; V504-Y520 HydrophobicContact CG2-CE2 4.49Å; V504-Y520 HydrophobicContact CG2-CG 4.07Å; Y516-Y520 VanDerWaalsContact O-CB 3.29Å; Y516-Y520 WeakPolarHBondContact O-CB 3.43Å; Y516-Y520 PolarHBondContact O-N 3.25Å; V517-Y520 PolarHBondContact O-N 3.4Å; L518-Y520 VanDerWaalsContact C-N 3.29Å; L518-Y520 PolarHBondContact O-N 3.4Å; Y520-L522 VanDerWaalsContact C-N 3.32Å; Y520-L522 PolarHBondContact O-N 2.86Å; Y520-Q523 PolarHBondContact O-N 3.3Å; Y520-L524 HydrophobicContact CE1-CB 4.47Å; Y520-L524 HydrophobicContact CE1-CD2 4.11Å; Y520-L524 WeakPolarHBondContact O-CB 3.48Å; Y520-L524 PolarHBondContact O-N 3.38Å; Y520-V559 HydrophobicContact CE1-CG1 3.64Å; Y520-V559 WeakPolarHBondContact OH-CG1 3.35Å
521A98Very high96.8Very high0 Ų028.4 Ų28.40%014%0.143CC..Hα-helixtrans-63.8-37-179.900000112.2L432 V517 L518 T525 L560 C563L432-A521 HydrophobicContact CD1-CB 4.23Å; L432-A521 HydrophobicContact CD2-CB 3.97Å; L432-A521 WeakPolarHBondContact CD2-O 3.18Å; V517-A521 WeakPolarHBondContact O-CB 3.45Å; V517-A521 PolarHBondContact O-N 3.12Å; L518-A521 PolarHBondContact O-N 3.34Å; L518-A521 VanDerWaalsContact O-N 3.16Å; A521-T525 WeakPolarHBondContact O-CB 3.32Å; A521-T525 PolarHBondContact O-N 3.38Å; A521-T525 PolarHBondContact O-OG1 3.26Å; A521-L560 HydrophobicContact CB-CD1 4.13Å; A521-C563 HydrophobicContact CB-CB 3.91Å
522L97.6Very high97Very high35 Ų3527.2 Ų27.218%0.18314%0.136CC..Hα-helixtrans-67.5-44.3175.7-67169.9000111.6V424 C428 L432 L518 Q519 Y520 T525 S526V424-L522 HydrophobicContact CG1-CD1 3.67Å; V424-L522 HydrophobicContact CG2-CD1 4.08Å; C428-L522 HydrophobicContact CB-CD2 3.72Å; L432-L522 HydrophobicContact CD1-CD2 4.49Å; L432-L522 HydrophobicContact CD2-CD2 3.75Å; L432-L522 HydrophobicContact CD2-CG 4.32Å; L432-L522 HydrophobicContact CG-CD2 4.11Å; L518-L522 HydrophobicContact CD1-CD1 4.05Å; L518-L522 HydrophobicContact CD1-CG 4.1Å; L518-L522 HydrophobicContact CG-CD1 3.97Å; L518-L522 HydrophobicContact CG-CG 4.45Å; L518-L522 VanDerWaalsContact O-CG 3.31Å; L518-L522 WeakPolarHBondContact O-CG 3.34Å; L518-L522 PolarHBondContact O-N 2.87Å; Q519-L522 PolarHBondContact O-N 3.41Å; Y520-L522 VanDerWaalsContact C-N 3.32Å; Y520-L522 PolarHBondContact O-N 2.86Å; L522-T525 WeakPolarHBondContact O-CB 3.2Å; L522-T525 PolarHBondContact O-N 3.16Å; L522-S526 PolarHBondContact O-N 2.89Å
523Q97.4Very high97Very high76 Ų7635.4 Ų35.436%0.35517%0.172SC..Hα-helixtrans-64.2-44.4176-175.756.353.300111.6Q519 Y520 T525 S526 D527Q519-Q523 PolarHBondContact O-N 3.42Å; Y520-Q523 PolarHBondContact O-N 3.3Å; Q523-T525 VanDerWaalsContact C-N 3.29Å; Q523-T525 PolarHBondContact O-N 3.19Å; Q523-S526 WeakPolarHBondContact O-CB 3.45Å; Q523-S526 PolarHBondContact O-N 3.18Å; Q523-S526 VanDerWaalsContact O-N 3.11Å; Q523-D527 VanDerWaalsContact NE2-CG 3.33Å; Q523-D527 PolarHBondContact NE2-OD1 3.39Å; Q523-D527 VanDerWaalsContact NE2-OD1 3.1Å; Q523-D527 PolarHBondContact NE2-OD2 2.99Å; Q523-D527 PolarHBondContact O-N 2.61Å
524L98.1Very high97Very high1 Ų139.9 Ų39.91%0.00519%0.193CC..Hα-helixtrans-56-45173.2177.162.5000111.1L494 Q497 L498 Y520 S526 D527 V528 V559 L560L494-L524 HydrophobicContact CD1-CD1 3.65Å; Q497-L524 HydrophobicContact CG-CB 4.33Å; Q497-L524 HydrophobicContact CG-CD1 4.24Å; L498-L524 HydrophobicContact CD2-CD1 3.82Å; L498-L524 HydrophobicContact CG-CD1 4.3Å; Y520-L524 HydrophobicContact CE1-CB 4.47Å; Y520-L524 HydrophobicContact CE1-CD2 4.11Å; Y520-L524 WeakPolarHBondContact O-CB 3.48Å; Y520-L524 PolarHBondContact O-N 3.38Å; L524-S526 VanDerWaalsContact C-N 3.33Å; L524-S526 PolarHBondContact O-N 3.43Å; L524-D527 PolarHBondContact O-N 3.44Å; L524-V528 HydrophobicContact CD1-CG2 4.17Å; L524-V528 HydrophobicContact CG-CG2 4.38Å; L524-V528 WeakPolarHBondContact O-CB 3.18Å; L524-V528 VanDerWaalsContact O-CG2 3.29Å; L524-V528 WeakPolarHBondContact O-CG2 3.44Å; L524-V528 PolarHBondContact O-N 3.44Å; L524-V559 HydrophobicContact CD2-CB 4.2Å; L524-V559 HydrophobicContact CD2-CG1 3.74Å; L524-L560 HydrophobicContact CD2-CB 4.18Å
525T97.9Very high97Very high3 Ų339.9 Ų39.92%0.01819%0.192CC..Hα-helixtrans-61.3-40.4177.1-59.80000112.2T431 L432 C435 A521 L522 Q523 N529T431-T525 HydrophobicContact CG2-CG2 3.89Å; L432-T525 WeakPolarHBondContact CD2-OG1 3.45Å; C435-T525 HydrophobicContact CB-CG2 3.56Å; A521-T525 WeakPolarHBondContact O-CB 3.32Å; A521-T525 PolarHBondContact O-N 3.38Å; A521-T525 PolarHBondContact O-OG1 3.26Å; L522-T525 WeakPolarHBondContact O-CB 3.2Å; L522-T525 PolarHBondContact O-N 3.16Å; Q523-T525 VanDerWaalsContact C-N 3.29Å; Q523-T525 PolarHBondContact O-N 3.19Å; T525-N529 WeakPolarHBondContact O-CB 3.3Å; T525-N529 PolarHBondContact O-N 2.86Å; T525-N529 PolarHBondContact O-ND2 3.38Å
526S97.1Very high97Very high63 Ų6340.7 Ų40.744%0.44120%0.201SC..Hα-helixtrans-62-44.9174.1-178.70000111.8L522 Q523 L524 N529 S530L522-S526 PolarHBondContact O-N 2.89Å; Q523-S526 WeakPolarHBondContact O-CB 3.45Å; Q523-S526 PolarHBondContact O-N 3.18Å; Q523-S526 VanDerWaalsContact O-N 3.11Å; L524-S526 VanDerWaalsContact C-N 3.33Å; L524-S526 PolarHBondContact O-N 3.43Å; S526-N529 PolarHBondContact O-N 3.25Å; S526-S530 PolarHBondContact O-N 3.2Å
527D97.9Very high97Very high4 Ų436.7 Ų36.72%0.02119%0.186CC..Hα-helixtrans-70.9-37.3-177.9-65.4-29.9000112.1K493 L494 Q523 L524 S530 A531K493-D527 WeakPolarHBondContact CD-OD1 3.44Å; K493-D527 WeakPolarHBondContact CE-OD1 3.5Å; K493-D527 IonicContact NZ-OD1 2.74Å; K493-D527 PolarHBondContact NZ-OD1 2.9Å; L494-D527 HydrophobicContact CD1-CB 4.11Å; Q523-D527 VanDerWaalsContact NE2-CG 3.33Å; Q523-D527 PolarHBondContact NE2-OD1 3.39Å; Q523-D527 VanDerWaalsContact NE2-OD1 3.1Å; Q523-D527 PolarHBondContact NE2-OD2 2.99Å; Q523-D527 PolarHBondContact O-N 2.61Å; L524-D527 PolarHBondContact O-N 3.44Å; D527-S530 PolarHBondContact O-N 3.36Å; D527-A531 WeakPolarHBondContact O-CB 3.15Å; D527-A531 PolarHBondContact O-N 3.41Å
528V98.2Very high96.8Very high3 Ų339.3 Ų39.32%0.01820%0.199CC..Hα-helixtrans-59.2-46.8169.61690000110.7L439 L494 L524 S530 A531 W532 F553L439-V528 HydrophobicContact CD1-CG1 4.24Å; L439-V528 HydrophobicContact CD2-CG1 4.02Å; L439-V528 HydrophobicContact CG-CG1 4.4Å; L494-V528 HydrophobicContact CD1-CG2 3.83Å; L494-V528 HydrophobicContact CD2-CG2 4.4Å; L524-V528 HydrophobicContact CD1-CG2 4.17Å; L524-V528 HydrophobicContact CG-CG2 4.38Å; L524-V528 WeakPolarHBondContact O-CB 3.18Å; L524-V528 VanDerWaalsContact O-CG2 3.29Å; L524-V528 WeakPolarHBondContact O-CG2 3.44Å; L524-V528 PolarHBondContact O-N 3.44Å; V528-S530 VanDerWaalsContact C-N 3.28Å; V528-S530 PolarHBondContact O-N 3.3Å; V528-A531 PolarHBondContact O-N 3.01Å; V528-W532 VanDerWaalsContact O-CB 3.29Å; V528-W532 WeakPolarHBondContact O-CB 3.34Å; V528-W532 PolarHBondContact O-N 3.15Å; V528-F553 HydrophobicContact CG1-CD1 4.36Å; V528-F553 HydrophobicContact CG1-CE1 4.33Å
529N96.8Very high96.6Very high52 Ų5245 Ų4528%0.27823%0.234SC..Hα-helixtrans-63.4-34.8178.7-79.3-46.5000112.5R438 T525 S526R438-N529 PolarHBondContact NH1-OD1 3.21Å; R438-N529 VanDerWaalsContact NH1-OD1 3.08Å; T525-N529 WeakPolarHBondContact O-CB 3.3Å; T525-N529 PolarHBondContact O-N 2.86Å; T525-N529 PolarHBondContact O-ND2 3.38Å; S526-N529 PolarHBondContact O-N 3.25Å
530S96.6Very high96.4Very high45 Ų4542.5 Ų42.532%0.31522%0.224SC..Hα-helixtrans-67.7-47.8173.2-171.70000111.5S526 D527 V528 W532 K533 H534S526-S530 PolarHBondContact O-N 3.2Å; D527-S530 PolarHBondContact O-N 3.36Å; V528-S530 VanDerWaalsContact C-N 3.28Å; V528-S530 PolarHBondContact O-N 3.3Å; S530-W532 VanDerWaalsContact C-N 3.33Å; S530-W532 PolarHBondContact O-N 3.24Å; S530-K533 PolarHBondContact O-N 3.26Å; S530-H534 PolarHBondContact O-ND1 3.13Å
531A97.4Very high96.1Very high0 Ų048.8 Ų48.80%026%0.264CS..Hα-helixtrans-62.2-39177.700000112.3L494 D527 V528 K533 H534 L535 F553L494-A531 HydrophobicContact CD2-CB 3.73Å; D527-A531 WeakPolarHBondContact O-CB 3.15Å; D527-A531 PolarHBondContact O-N 3.41Å; V528-A531 PolarHBondContact O-N 3.01Å; A531-K533 PolarHBondContact O-N 3.16Å; A531-K533 VanDerWaalsContact O-N 3.15Å; A531-H534 PolarHBondContact O-N 3.38Å; A531-L535 HydrophobicContact CB-CD1 4.02Å; A531-L535 VanDerWaalsContact O-CB 3.31Å; A531-L535 WeakPolarHBondContact O-CB 3.31Å; A531-L535 PolarHBondContact O-N 3.45Å; A531-F553 HydrophobicContact CB-CE1 4.01Å; A531-F553 HydrophobicContact CB-CZ 4.08Å
532W96.3Very high95.8Very high65 Ų6552.1 Ų52.125%0.24628%0.282CS..Hα-helixtrans-57.8-30.7179.4-164.2-77.7000113.5R438 L439 L442 V528 S530 F553R438-W532 HydrophobicContact CB-CH2 4.37Å; R438-W532 VanDerWaalsContact NH2-CD1 3.32Å; R438-W532 WeakPolarHBondContact O-CH2 3.46Å; L439-W532 HydrophobicContact CD2-CE3 4.34Å; L439-W532 HydrophobicContact CD2-CZ3 3.8Å; L439-W532 HydrophobicContact CG-CZ3 4.44Å; L442-W532 HydrophobicContact CB-CH2 3.71Å; L442-W532 HydrophobicContact CB-CZ3 4.18Å; L442-W532 HydrophobicContact CD2-CH2 4.02Å; L442-W532 HydrophobicContact CD2-CZ3 3.8Å; L442-W532 HydrophobicContact CG-CH2 4.35Å; V528-W532 VanDerWaalsContact O-CB 3.29Å; V528-W532 WeakPolarHBondContact O-CB 3.34Å; V528-W532 PolarHBondContact O-N 3.15Å; S530-W532 VanDerWaalsContact C-N 3.33Å; S530-W532 PolarHBondContact O-N 3.24Å; W532-F553 HydrophobicContact CB-CE1 4.45Å; W532-F553 HydrophobicContact CB-CZ 4.47Å; W532-F553 HydrophobicContact CE3-CD1 4.16Å; W532-F553 AromaticContact CE3-CE1 3.94Å; W532-F553 HydrophobicContact CE3-CE1 3.94Å; W532-F553 HydrophobicContact CE3-CZ 4.33Å
533K95Very high95.5Very high171 Ų17156.7 Ų56.774%0.74330%0.3SS*.Hα-helixtrans-77.5-30.6178.3-65.9177.6-176.3-179.30113.2S530 A531S530-K533 PolarHBondContact O-N 3.26Å; A531-K533 PolarHBondContact O-N 3.16Å; A531-K533 VanDerWaalsContact O-N 3.15Å
534H95.4Very high95.2Very high108 Ų10858 Ų5850%0.531%0.307SS..Hα-helixtrans-108.5-17.2-170.1-58.393.3000113.3S530 A531 P536S530-H534 PolarHBondContact O-ND1 3.13Å; A531-H534 PolarHBondContact O-N 3.38Å; H534-P536 WeakPolarHBondContact O-CD 3.41Å
535L95.8Very high95Very high2 Ų258.3 Ų58.31%0.0131%0.308CS..  trans-115.572.9-178.3-56.3-178000110.4E488 F491 A531 V537 R549 F553E488-L535 HydrophobicContact CB-CD2 3.82Å; E488-L535 HydrophobicContact CG-CD2 3.93Å; F491-L535 HydrophobicContact CB-CD1 3.86Å; F491-L535 HydrophobicContact CB-CD2 4.39Å; F491-L535 HydrophobicContact CD2-CD1 4Å; F491-L535 HydrophobicContact CG-CD1 4.45Å; A531-L535 HydrophobicContact CB-CD1 4.02Å; A531-L535 VanDerWaalsContact O-CB 3.31Å; A531-L535 WeakPolarHBondContact O-CB 3.31Å; A531-L535 PolarHBondContact O-N 3.45Å; L535-V537 PolarHBondContact O-N 3.05Å; L535-R549 HydrophobicContact CB-CG 4.11Å; L535-F553 HydrophobicContact CB-CE2 4.17Å; L535-F553 HydrophobicContact CB-CZ 4.21Å
536P95.2Very high94.9Very high51 Ų5159.6 Ų59.633%0.33131%0.314SS..  trans-60.9131.5173.723.9-30.4000109.8H534 T539 C540 R549H534-P536 WeakPolarHBondContact O-CD 3.41Å; P536-T539 VanDerWaalsContact CB-OG1 3.27Å; P536-T539 WeakPolarHBondContact CB-OG1 3.49Å; P536-C540 VanDerWaalsContact O-CB 3.32Å; P536-C540 WeakPolarHBondContact O-CB 3.48Å; P536-R549 WeakPolarHBondContact O-CD 3.27Å; P536-R549 PolarHBondContact O-NH1 3.39Å
537V95.7Very high94.7Very high8 Ų857.3 Ų57.35%0.04830%0.296CS..SBendtrans-93.7-76175.3-179.80000109L442 L451 L535 T539 C540 Q546 R549 L550 F553L442-V537 HydrophobicContact CD1-CB 4.12Å; L442-V537 HydrophobicContact CD1-CG1 4.37Å; L442-V537 HydrophobicContact CD1-CG2 4.43Å; L442-V537 HydrophobicContact CD2-CG2 4.18Å; L451-V537 HydrophobicContact CD2-CG1 3.99Å; L535-V537 PolarHBondContact O-N 3.05Å; V537-T539 PolarHBondContact O-N 2.92Å; V537-T539 VanDerWaalsContact O-N 3.1Å; V537-C540 WeakPolarHBondContact O-CB 3.09Å; V537-C540 PolarHBondContact O-N 3.45Å; V537-Q546 WeakPolarHBondContact O-CG 3.48Å; V537-Q546 PolarHBondContact O-NE2 3.44Å; V537-R549 HydrophobicContact CG2-CB 3.87Å; V537-L550 HydrophobicContact CG1-CB 4.01Å; V537-L550 HydrophobicContact CG1-CD1 4.45Å; V537-F553 HydrophobicContact CG2-CD2 3.67Å; V537-F553 HydrophobicContact CG2-CE2 3.75Å
538L93.8Very high94.4Very high57 Ų5757.2 Ų57.230%0.29830%0.296SS..THydrogen-bonded Turntrans-62.6-26.9-171-57.2176000114.5L442 R445L442-L538 HydrophobicContact CD1-CD1 4.43Å; L442-L538 HydrophobicContact CD1-CG 4.26Å; R445-L538 HydrophobicContact CB-CD1 3.73Å
539T93.3Very high94.3Very high120 Ų12058.1 Ų58.174%0.73630%0.299SS*.THydrogen-bonded Turntrans-95.5-1.6179.956.30000113.7P536 V537P536-T539 VanDerWaalsContact CB-OG1 3.27Å; P536-T539 WeakPolarHBondContact CB-OG1 3.49Å; V537-T539 PolarHBondContact O-N 2.92Å; V537-T539 VanDerWaalsContact O-N 3.1Å
540C93.2Very high94.2Very high18 Ų1855.7 Ų55.712%0.12229%0.286CS..  trans-73.8139.8174.9-178.10000110.4P536 V537 D545 Q546 R549P536-C540 VanDerWaalsContact O-CB 3.32Å; P536-C540 WeakPolarHBondContact O-CB 3.48Å; V537-C540 WeakPolarHBondContact O-CB 3.09Å; V537-C540 PolarHBondContact O-N 3.45Å; C540-D545 VanDerWaalsContact SG-CB 3.59Å; C540-Q546 HydrophobicContact CB-CG 3.8Å; C540-Q546 VanDerWaalsContact O-CD 3.25Å; C540-Q546 WeakPolarHBondContact O-CG 3.26Å; C540-Q546 PolarHBondContact O-NE2 3.41Å; C540-R549 PolarHBondContact SG-NH1 3.02Å; C540-R549 VanDerWaalsContact SG-NH1 3.41Å
541T90.6Very high94.1Very high143 Ų14353.8 Ų53.888%0.87727%0.272SS*.SBendtrans-81.6-32.9-17649.50000113.2
542N92.4Very high93.9Very high69 Ų6953.8 Ų53.837%0.36927%0.272SS..  trans-86.4121.2179.9-179.4-29.2000110.4E544 D545 Q546N542-E544 VanDerWaalsContact C-N 3.35Å; N542-E544 PolarHBondContact O-N 2.92Å; N542-E544 WeakPolarHBondContact OD1-CB 3.46Å; N542-E544 PolarHBondContact OD1-N 2.86Å; N542-D545 HydrophobicContact CB-CB 4.14Å; N542-D545 VanDerWaalsContact CB-OD2 3.26Å; N542-D545 WeakPolarHBondContact CB-OD2 3.46Å; N542-D545 PolarHBondContact ND2-OD2 3.03Å; N542-D545 PolarHBondContact O-N 2.68Å; N542-D545 PolarHBondContact OD1-N 2.95Å; N542-Q546 WeakPolarHBondContact O-CG 3.02Å; N542-Q546 PolarHBondContact O-N 3.27Å
543K91.3Very high93.9Very high132 Ų13250.9 Ų50.957%0.57426%0.261SS*.Hα-helixtrans-62.2-36-178.7-171.8174.7-178.3177.60113.9Q546 L547K543-Q546 WeakPolarHBondContact O-CB 3.3Å; K543-Q546 PolarHBondContact O-N 3.25Å; K543-L547 HydrophobicContact CG-CD1 4.4Å; K543-L547 WeakPolarHBondContact O-CG 3.46Å; K543-L547 PolarHBondContact O-N 3.21Å
544E91.9Very high93.9Very high104 Ų10443 Ų4349%0.48623%0.227SC..Hα-helixtrans-66.5-44.4177.2-68-173.8177.100111.1F478 P482 N542 Q546 L547 I548F478-E544 HydrophobicContact CE1-CB 3.81Å; F478-E544 HydrophobicContact CE1-CG 3.81Å; F478-E544 HydrophobicContact CZ-CB 4.38Å; F478-E544 HydrophobicContact CZ-CG 4.36Å; P482-E544 HydrophobicContact CG-CB 4.33Å; N542-E544 VanDerWaalsContact C-N 3.35Å; N542-E544 PolarHBondContact O-N 2.92Å; N542-E544 WeakPolarHBondContact OD1-CB 3.46Å; N542-E544 PolarHBondContact OD1-N 2.86Å; E544-Q546 VanDerWaalsContact C-N 3.34Å; E544-Q546 PolarHBondContact O-N 2.88Å; E544-L547 PolarHBondContact O-N 3.02Å; E544-I548 WeakPolarHBondContact O-CG1 3.44Å; E544-I548 PolarHBondContact O-N 3.06Å
545D93.9Very high93.9Very high6 Ų637.9 Ų37.93%0.03220%0.204CC..Hα-helixtrans-60.2-43.8172.4-75-80000111.2T484 T485 C540 N542 L547 I548 R549T484-D545 WeakPolarHBondContact CB-OD1 2.99Å; T484-D545 VanDerWaalsContact OG1-CG 3.23Å; T484-D545 PolarHBondContact OG1-OD1 2.9Å; T484-D545 PolarHBondContact OG1-OD2 3.28Å; T484-D545 VanDerWaalsContact OG1-OD2 3.06Å; T485-D545 WeakPolarHBondContact CB-OD1 3.36Å; T485-D545 PolarHBondContact N-OD1 2.92Å; T485-D545 PolarHBondContact OG1-OD1 2.96Å; C540-D545 VanDerWaalsContact SG-CB 3.59Å; N542-D545 HydrophobicContact CB-CB 4.14Å; N542-D545 VanDerWaalsContact CB-OD2 3.26Å; N542-D545 WeakPolarHBondContact CB-OD2 3.46Å; N542-D545 PolarHBondContact ND2-OD2 3.03Å; N542-D545 PolarHBondContact O-N 2.68Å; N542-D545 PolarHBondContact OD1-N 2.95Å; D545-L547 VanDerWaalsContact C-N 3.32Å; D545-L547 PolarHBondContact O-N 2.92Å; D545-I548 PolarHBondContact O-N 2.67Å; D545-R549 VanDerWaalsContact O-CB 3.26Å; D545-R549 WeakPolarHBondContact O-CB 3.2Å; D545-R549 WeakPolarHBondContact O-CD 3.27Å; D545-R549 WeakPolarHBondContact O-CG 3.5Å; D545-R549 PolarHBondContact O-N 3.3Å; D545-R549 IonicContact OD1-NH2 2.88Å
546Q94.1Very high93.9Very high31 Ų3137.8 Ų37.815%0.14520%0.203CC..Hα-helixtrans-55.1-47.9176-70.3-176.7-48.800111.5L451 V537 C540 N542 K543 E544 L550L451-Q546 HydrophobicContact CD1-CB 3.72Å; L451-Q546 HydrophobicContact CD1-CG 4.38Å; L451-Q546 VanDerWaalsContact CD1-OE1 3.26Å; L451-Q546 HydrophobicContact CD2-CB 4.05Å; V537-Q546 WeakPolarHBondContact O-CG 3.48Å; V537-Q546 PolarHBondContact O-NE2 3.44Å; C540-Q546 HydrophobicContact CB-CG 3.8Å; C540-Q546 VanDerWaalsContact O-CD 3.25Å; C540-Q546 WeakPolarHBondContact O-CG 3.26Å; C540-Q546 PolarHBondContact O-NE2 3.41Å; N542-Q546 WeakPolarHBondContact O-CG 3.02Å; N542-Q546 PolarHBondContact O-N 3.27Å; K543-Q546 WeakPolarHBondContact O-CB 3.3Å; K543-Q546 PolarHBondContact O-N 3.25Å; E544-Q546 VanDerWaalsContact C-N 3.34Å; E544-Q546 PolarHBondContact O-N 2.88Å; Q546-L550 VanDerWaalsContact O-CB 3.23Å; Q546-L550 WeakPolarHBondContact O-CB 3.35Å; Q546-L550 PolarHBondContact O-N 3.36Å
547L93.1Very high93.9Very high14 Ų1437.5 Ų37.57%0.07320%0.195CC..Hα-helixtrans-67.4-48.5-177.9-71.9172.7000112.2L451 F452 V474 F478 K543 E544 D545 R549 L550 F551L451-L547 HydrophobicContact CD1-CD2 4.36Å; L451-L547 HydrophobicContact CG-CD2 4.29Å; F452-L547 HydrophobicContact CD2-CD2 3.97Å; V474-L547 HydrophobicContact CG1-CD1 4.38Å; F478-L547 HydrophobicContact CE2-CB 4.35Å; F478-L547 HydrophobicContact CE2-CD1 4.31Å; F478-L547 HydrophobicContact CZ-CB 4.04Å; F478-L547 HydrophobicContact CZ-CD1 4.01Å; K543-L547 HydrophobicContact CG-CD1 4.4Å; K543-L547 WeakPolarHBondContact O-CG 3.46Å; K543-L547 PolarHBondContact O-N 3.21Å; E544-L547 PolarHBondContact O-N 3.02Å; D545-L547 VanDerWaalsContact C-N 3.32Å; D545-L547 PolarHBondContact O-N 2.92Å; L547-R549 VanDerWaalsContact C-N 3.34Å; L547-R549 PolarHBondContact O-N 3.49Å; L547-L550 WeakPolarHBondContact O-CB 3.47Å; L547-L550 PolarHBondContact O-N 3.47Å; L547-L550 VanDerWaalsContact O-N 3.16Å; L547-F551 HydrophobicContact CB-CE2 4.14Å; L547-F551 HydrophobicContact CB-CZ 4.31Å; L547-F551 WeakPolarHBondContact O-CD2 3.46Å; L547-F551 WeakPolarHBondContact O-CG 3.39Å; L547-F551 PolarHBondContact O-N 3.08Å
548I93.2Very high93.8Very high3 Ų337.4 Ų37.42%0.01520%0.195CC..Hα-helixtrans-64.5-39.3-180-63.8-51.3000111.6F478 W481 P482 T485 F491 E544 D545 F551 I552F478-I548 HydrophobicContact CD1-CD1 3.98Å; F478-I548 HydrophobicContact CD1-CG1 4.28Å; F478-I548 HydrophobicContact CD2-CD1 3.85Å; F478-I548 HydrophobicContact CE1-CD1 4.07Å; F478-I548 HydrophobicContact CE1-CG1 4.09Å; F478-I548 HydrophobicContact CE2-CD1 3.95Å; F478-I548 HydrophobicContact CG-CD1 3.87Å; F478-I548 HydrophobicContact CZ-CD1 4.06Å; F478-I548 HydrophobicContact CZ-CG1 4.29Å; W481-I548 HydrophobicContact CG-CD1 4.27Å; W481-I548 HydrophobicContact CG-CG1 4.44Å; P482-I548 HydrophobicContact CG-CB 4.47Å; P482-I548 HydrophobicContact CG-CG1 4.19Å; T485-I548 HydrophobicContact CG2-CB 4.43Å; T485-I548 HydrophobicContact CG2-CG2 3.85Å; F491-I548 HydrophobicContact CE2-CG2 3.81Å; F491-I548 HydrophobicContact CZ-CG2 3.92Å; E544-I548 WeakPolarHBondContact O-CG1 3.44Å; E544-I548 PolarHBondContact O-N 3.06Å; D545-I548 PolarHBondContact O-N 2.67Å; I548-F551 HydrophobicContact CD1-CD2 3.83Å; I548-F551 HydrophobicContact CD1-CE2 4.11Å; I548-F551 PolarHBondContact O-N 3.24Å; I548-I552 PolarHBondContact O-N 3.44Å
549R95.3Very high93.9Very high22 Ų2234.7 Ų34.78%0.08318%0.181CC..Hα-helixtrans-65.6-40.3173.3-66169.4-171-174.71.7111.6T485 L535 P536 V537 C540 D545 L547 I552 F553T485-R549 HydrophobicContact CG2-CG 3.61Å; T485-R549 PolarHBondContact OG1-NE 2.99Å; T485-R549 PolarHBondContact OG1-NH2 3.28Å; L535-R549 HydrophobicContact CB-CG 4.11Å; P536-R549 WeakPolarHBondContact O-CD 3.27Å; P536-R549 PolarHBondContact O-NH1 3.39Å; V537-R549 HydrophobicContact CG2-CB 3.87Å; C540-R549 PolarHBondContact SG-NH1 3.02Å; C540-R549 VanDerWaalsContact SG-NH1 3.41Å; D545-R549 VanDerWaalsContact O-CB 3.26Å; D545-R549 WeakPolarHBondContact O-CB 3.2Å; D545-R549 WeakPolarHBondContact O-CD 3.27Å; D545-R549 WeakPolarHBondContact O-CG 3.5Å; D545-R549 PolarHBondContact O-N 3.3Å; D545-R549 IonicContact OD1-NH2 2.88Å; L547-R549 VanDerWaalsContact C-N 3.34Å; L547-R549 PolarHBondContact O-N 3.49Å; R549-I552 WeakPolarHBondContact O-CG2 3.32Å; R549-F553 WeakPolarHBondContact O-CD2 3.2Å; R549-F553 PolarHBondContact O-N 3.47Å
550L94.4Very high94.1Very high1 Ų129 Ų291%0.00515%0.146CC..Hα-helixtrans-61.1-46.3174.9178.360.9000110.9L442 S446 L451 F466 V537 Q546 L547 I552 F553 L554L442-L550 HydrophobicContact CG-CD1 4.32Å; S446-L550 WeakPolarHBondContact OG-CD1 3.3Å; L451-L550 HydrophobicContact CD2-CD2 3.99Å; F466-L550 HydrophobicContact CE2-CD2 4.46Å; F466-L550 HydrophobicContact CZ-CD2 4.23Å; V537-L550 HydrophobicContact CG1-CB 4.01Å; V537-L550 HydrophobicContact CG1-CD1 4.45Å; Q546-L550 VanDerWaalsContact O-CB 3.23Å; Q546-L550 WeakPolarHBondContact O-CB 3.35Å; Q546-L550 PolarHBondContact O-N 3.36Å; L547-L550 WeakPolarHBondContact O-CB 3.47Å; L547-L550 PolarHBondContact O-N 3.47Å; L547-L550 VanDerWaalsContact O-N 3.16Å; L550-I552 PolarHBondContact O-N 2.91Å; L550-F553 PolarHBondContact O-N 3.44Å; L550-F553 VanDerWaalsContact O-N 3.12Å; L550-L554 HydrophobicContact CD1-CD1 4.04Å; L550-L554 HydrophobicContact CD1-CD2 4.25Å; L550-L554 HydrophobicContact CD1-CG 3.91Å; L550-L554 HydrophobicContact CD2-CD1 4.31Å; L550-L554 HydrophobicContact CG-CD1 3.78Å; L550-L554 HydrophobicContact CG-CG 4.09Å; L550-L554 WeakPolarHBondContact O-CG 3.42Å; L550-L554 PolarHBondContact O-N 2.97Å
551F94Very high94.2Very high4 Ų428.4 Ų28.42%0.01814%0.142CC..Hα-helixtrans-59.1-43.7-178.6-64.3-33.6000113L12 L471 V474 F475 F478 L547 I548 F553 L554 A555L12-F551 HydrophobicContact CD1-CB 4.29Å; L12-F551 HydrophobicContact CD1-CD1 4.46Å; L12-F551 HydrophobicContact CD1-CG 4.39Å; L12-F551 HydrophobicContact CD2-CB 4.15Å; L12-F551 HydrophobicContact CD2-CD1 4.46Å; L12-F551 VanDerWaalsContact CD2-O 3.3Å; L12-F551 WeakPolarHBondContact CD2-O 3.43Å; L471-F551 HydrophobicContact CD2-CD1 3.97Å; L471-F551 HydrophobicContact CD2-CE1 3.98Å; L471-F551 HydrophobicContact CG-CD1 4.24Å; L471-F551 HydrophobicContact CG-CE1 3.88Å; V474-F551 HydrophobicContact CG1-CZ 4.16Å; F475-F551 HydrophobicContact CB-CD2 4.35Å; F475-F551 HydrophobicContact CB-CE2 3.99Å; F475-F551 HydrophobicContact CB-CZ 4.21Å; F475-F551 HydrophobicContact CD2-CB 4.2Å; F475-F551 AromaticContact CD2-CD2 3.5Å; F475-F551 HydrophobicContact CD2-CD2 3.5Å; F475-F551 AromaticContact CD2-CE2 3.97Å; F475-F551 HydrophobicContact CD2-CE2 3.97Å; F475-F551 AromaticContact CD2-CG 3.92Å; F475-F551 HydrophobicContact CD2-CG 3.92Å; F475-F551 HydrophobicContact CE2-CB 4.48Å; F475-F551 HydrophobicContact CE2-CD2 4.32Å; F475-F551 HydrophobicContact CG-CD2 4.38Å; F475-F551 HydrophobicContact CG-CE2 4.45Å; F478-F551 HydrophobicContact CD2-CE2 4.4Å; F478-F551 AromaticContact CE2-CE2 3.99Å; F478-F551 HydrophobicContact CE2-CE2 3.99Å; L547-F551 HydrophobicContact CB-CE2 4.14Å; L547-F551 HydrophobicContact CB-CZ 4.31Å; L547-F551 WeakPolarHBondContact O-CD2 3.46Å; L547-F551 WeakPolarHBondContact O-CG 3.39Å; L547-F551 PolarHBondContact O-N 3.08Å; I548-F551 HydrophobicContact CD1-CD2 3.83Å; I548-F551 HydrophobicContact CD1-CE2 4.11Å; I548-F551 PolarHBondContact O-N 3.24Å; F551-F553 VanDerWaalsContact C-N 3.3Å; F551-F553 PolarHBondContact O-N 2.97Å; F551-L554 PolarHBondContact O-N 3.32Å; F551-A555 WeakPolarHBondContact O-CB 3.35Å; F551-A555 PolarHBondContact O-N 3Å
552I94.7Very high94.4Very high1 Ų121.8 Ų21.81%0.00510%0.101CC..Hα-helixtrans-65.4-34.8177.9-165.1170.8000112L8 F491 L494 A495 L498 I548 R549 L550 S556L8-I552 HydrophobicContact CD2-CG1 4.31Å; F491-I552 HydrophobicContact CD1-CD1 4.49Å; F491-I552 HydrophobicContact CD2-CB 4.43Å; F491-I552 HydrophobicContact CD2-CD1 3.67Å; F491-I552 HydrophobicContact CD2-CG2 3.97Å; F491-I552 HydrophobicContact CE1-CD1 4.45Å; F491-I552 HydrophobicContact CE2-CB 3.9Å; F491-I552 HydrophobicContact CE2-CD1 3.64Å; F491-I552 HydrophobicContact CE2-CG1 4.35Å; F491-I552 HydrophobicContact CE2-CG2 3.81Å; F491-I552 HydrophobicContact CG-CD1 4.12Å; F491-I552 HydrophobicContact CZ-CD1 4.05Å; L494-I552 HydrophobicContact CB-CD1 3.84Å; L494-I552 HydrophobicContact CD2-CD1 3.86Å; L494-I552 HydrophobicContact CD2-CG1 3.77Å; L494-I552 HydrophobicContact CD2-CG2 4.46Å; L494-I552 HydrophobicContact CG-CD1 3.75Å; L494-I552 HydrophobicContact CG-CG1 3.89Å; A495-I552 HydrophobicContact CB-CD1 4.01Å; L498-I552 HydrophobicContact CD1-CD1 4.42Å; L498-I552 HydrophobicContact CD1-CG1 3.66Å; I548-I552 PolarHBondContact O-N 3.44Å; R549-I552 WeakPolarHBondContact O-CG2 3.32Å; L550-I552 PolarHBondContact O-N 2.91Å; I552-S556 WeakPolarHBondContact O-CB 3.49Å; I552-S556 PolarHBondContact O-N 3.23Å; I552-S556 PolarHBondContact O-OG 2.91Å
553F96.4Very high94.7Very high3 Ų318.5 Ų18.51%0.0138%0.084CC..Hα-helixtrans-71.1-38173.8-72.6-56.8000112.7L439 L442 L494 V528 A531 W532 L535 V537 R549 L550 F551 S556 R557L439-F553 HydrophobicContact CD2-CB 3.82Å; L439-F553 HydrophobicContact CD2-CD1 3.75Å; L439-F553 HydrophobicContact CD2-CG 4.15Å; L442-F553 HydrophobicContact CD2-CB 3.79Å; L442-F553 HydrophobicContact CD2-CD2 3.76Å; L442-F553 HydrophobicContact CD2-CG 3.87Å; L494-F553 HydrophobicContact CD2-CE1 4.46Å; V528-F553 HydrophobicContact CG1-CD1 4.36Å; V528-F553 HydrophobicContact CG1-CE1 4.33Å; A531-F553 HydrophobicContact CB-CE1 4.01Å; A531-F553 HydrophobicContact CB-CZ 4.08Å; W532-F553 HydrophobicContact CB-CE1 4.45Å; W532-F553 HydrophobicContact CB-CZ 4.47Å; W532-F553 HydrophobicContact CE3-CD1 4.16Å; W532-F553 AromaticContact CE3-CE1 3.94Å; W532-F553 HydrophobicContact CE3-CE1 3.94Å; W532-F553 HydrophobicContact CE3-CZ 4.33Å; L535-F553 HydrophobicContact CB-CE2 4.17Å; L535-F553 HydrophobicContact CB-CZ 4.21Å; V537-F553 HydrophobicContact CG2-CD2 3.67Å; V537-F553 HydrophobicContact CG2-CE2 3.75Å; R549-F553 WeakPolarHBondContact O-CD2 3.2Å; R549-F553 PolarHBondContact O-N 3.47Å; L550-F553 PolarHBondContact O-N 3.44Å; L550-F553 VanDerWaalsContact O-N 3.12Å; F551-F553 VanDerWaalsContact C-N 3.3Å; F551-F553 PolarHBondContact O-N 2.97Å; F553-S556 WeakPolarHBondContact O-CB 3.44Å; F553-S556 PolarHBondContact O-N 3.26Å; F553-R557 PolarHBondContact O-N 3.35Å
554L94Very high94.9Very high6 Ų612.2 Ų12.23%0.0316%0.056CC..Hα-helixtrans-66.4-41.6175.2-67.2178.5000111.8L12 E443 F466 L471 L550 F551 S556 R557 N558L12-L554 HydrophobicContact CD2-CB 3.99Å; E443-L554 HydrophobicContact CB-CD2 3.8Å; E443-L554 HydrophobicContact CG-CD2 4.05Å; F466-L554 HydrophobicContact CD2-CD1 3.84Å; F466-L554 HydrophobicContact CD2-CD2 4.41Å; F466-L554 HydrophobicContact CE2-CD1 3.73Å; F466-L554 HydrophobicContact CE2-CD2 4.22Å; L471-L554 HydrophobicContact CD1-CD1 3.55Å; L550-L554 HydrophobicContact CD1-CD1 4.04Å; L550-L554 HydrophobicContact CD1-CD2 4.25Å; L550-L554 HydrophobicContact CD1-CG 3.91Å; L550-L554 HydrophobicContact CD2-CD1 4.31Å; L550-L554 HydrophobicContact CG-CD1 3.78Å; L550-L554 HydrophobicContact CG-CG 4.09Å; L550-L554 WeakPolarHBondContact O-CG 3.42Å; L550-L554 PolarHBondContact O-N 2.97Å; F551-L554 PolarHBondContact O-N 3.32Å; L554-S556 VanDerWaalsContact C-N 3.32Å; L554-S556 PolarHBondContact O-N 3.26Å; L554-R557 WeakPolarHBondContact O-CB 3.42Å; L554-R557 PolarHBondContact O-N 3.09Å; L554-N558 VanDerWaalsContact O-CG 3.25Å; L554-N558 PolarHBondContact O-N 3.17Å; L554-N558 PolarHBondContact O-OD1 3.4Å
555A94.4Very high95.1Very high0 Ų013.2 Ų13.20%06%0.056CC..Hα-helixtrans-59.5-44.1171.500000111L8 L11 L12 L498 F551 R557 N558 V559L8-A555 HydrophobicContact CD2-CB 4.21Å; L11-A555 HydrophobicContact CB-CB 3.93Å; L12-A555 HydrophobicContact CD2-CB 4.18Å; L498-A555 HydrophobicContact CD1-CB 4.14Å; F551-A555 WeakPolarHBondContact O-CB 3.35Å; F551-A555 PolarHBondContact O-N 3Å; A555-R557 VanDerWaalsContact C-N 3.34Å; A555-R557 PolarHBondContact O-N 2.86Å; A555-N558 PolarHBondContact O-N 3.25Å; A555-V559 WeakPolarHBondContact O-CB 3.43Å; A555-V559 WeakPolarHBondContact O-CG2 3.2Å; A555-V559 PolarHBondContact O-N 3.1Å
556S96.9Very high95.2Very high0 Ų013.3 Ų13.30%06%0.056CC..Hα-helixtrans-59.9-42.1175.3-57.30000112.8I552 F553 L554 L560I552-S556 WeakPolarHBondContact O-CB 3.49Å; I552-S556 PolarHBondContact O-N 3.23Å; I552-S556 PolarHBondContact O-OG 2.91Å; F553-S556 WeakPolarHBondContact O-CB 3.44Å; F553-S556 PolarHBondContact O-N 3.26Å; L554-S556 VanDerWaalsContact C-N 3.32Å; L554-S556 PolarHBondContact O-N 3.26Å; S556-L560 VanDerWaalsContact O-CB 3.23Å; S556-L560 WeakPolarHBondContact O-CB 3.18Å; S556-L560 PolarHBondContact O-N 3.44Å
557R95.8Very high95.4Very high45 Ų4512 Ų1217%0.175%0.05CC..Hα-helixtrans-58.4-51.3175.1-171.9-160.966.3137.9-1.9110.9L439 E443 F553 L554 A555 V559 L560 A561L439-R557 HydrophobicContact CB-CB 3.81Å; L439-R557 HydrophobicContact CB-CG 3.87Å; L439-R557 HydrophobicContact CD1-CB 4.18Å; E443-R557 VanDerWaalsContact CD-NH1 3.31Å; E443-R557 IonicContact OE1-CZ 3.83Å; E443-R557 IonicContact OE1-NH1 3.75Å; E443-R557 PolarHBondContact OE1-NH1 3.12Å; E443-R557 IonicContact OE1-NH2 2.71Å; E443-R557 WeakPolarHBondContact OE2-CD 3.38Å; E443-R557 IonicContact OE2-CZ 3.72Å; E443-R557 IonicContact OE2-NE 3.6Å; E443-R557 PolarHBondContact OE2-NE 3.5Å; E443-R557 IonicContact OE2-NH1 3.3Å; E443-R557 PolarHBondContact OE2-NH1 3.36Å; E443-R557 IonicContact OE2-NH2 3.88Å; F553-R557 PolarHBondContact O-N 3.35Å; L554-R557 WeakPolarHBondContact O-CB 3.42Å; L554-R557 PolarHBondContact O-N 3.09Å; A555-R557 VanDerWaalsContact C-N 3.34Å; A555-R557 PolarHBondContact O-N 2.86Å; R557-V559 PolarHBondContact O-N 3.19Å; R557-L560 PolarHBondContact O-N 3.04Å; R557-A561 VanDerWaalsContact O-CB 3.3Å; R557-A561 WeakPolarHBondContact O-CB 3.23Å; R557-A561 PolarHBondContact O-N 2.75Å
558N93.8Very high95.6Very high7 Ų711.6 Ų11.64%0.0375%0.05CC..Hα-helixtrans-63.9-42.3-176.9-65.4-12.7000112L11 L12 Y13 P16 L554 A555 A561 S562L11-N558 WeakPolarHBondContact O-CB 3.34Å; L11-N558 PolarHBondContact O-ND2 2.87Å; L11-N558 VanDerWaalsContact O-ND2 3.12Å; L12-N558 VanDerWaalsContact C-ND2 3.3Å; L12-N558 PolarHBondContact O-ND2 3.18Å; Y13-N558 PolarHBondContact O-ND2 3.46Å; Y13-N558 VanDerWaalsContact O-ND2 3.12Å; P16-N558 HydrophobicContact CG-CB 4.15Å; L554-N558 VanDerWaalsContact O-CG 3.25Å; L554-N558 PolarHBondContact O-N 3.17Å; L554-N558 PolarHBondContact O-OD1 3.4Å; A555-N558 PolarHBondContact O-N 3.25Å; N558-A561 PolarHBondContact O-N 3.35Å; N558-S562 WeakPolarHBondContact O-CB 3.31Å; N558-S562 PolarHBondContact O-N 2.96Å; N558-S562 PolarHBondContact O-OG 3.04Å
559V95.9Very high95.7Very high0 Ų011.7 Ų11.70%05%0.05CC..Hα-helixtrans-66.7-45.2177.7171.40000111.1L11 P16 L498 F501 Y520 L524 A555 R557 A561 S562 C563L11-V559 HydrophobicContact CB-CG2 4.2Å; L11-V559 HydrophobicContact CD1-CG2 4.1Å; L11-V559 HydrophobicContact CD2-CG2 3.75Å; L11-V559 HydrophobicContact CG-CG2 4.22Å; P16-V559 HydrophobicContact CG-CG2 4.42Å; L498-V559 HydrophobicContact CD2-CB 4.11Å; L498-V559 HydrophobicContact CD2-CG1 4.42Å; L498-V559 HydrophobicContact CD2-CG2 3.96Å; F501-V559 HydrophobicContact CB-CG1 4.21Å; F501-V559 HydrophobicContact CD1-CG1 4.1Å; F501-V559 HydrophobicContact CD1-CG2 4.13Å; F501-V559 HydrophobicContact CD2-CG1 3.67Å; F501-V559 HydrophobicContact CE1-CG1 4.42Å; F501-V559 HydrophobicContact CE2-CG1 4.03Å; F501-V559 HydrophobicContact CG-CG1 3.72Å; F501-V559 HydrophobicContact CG-CG2 4.42Å; F501-V559 HydrophobicContact CZ-CG1 4.39Å; Y520-V559 HydrophobicContact CE1-CG1 3.64Å; Y520-V559 WeakPolarHBondContact OH-CG1 3.35Å; L524-V559 HydrophobicContact CD2-CB 4.2Å; L524-V559 HydrophobicContact CD2-CG1 3.74Å; A555-V559 WeakPolarHBondContact O-CB 3.43Å; A555-V559 WeakPolarHBondContact O-CG2 3.2Å; A555-V559 PolarHBondContact O-N 3.1Å; R557-V559 PolarHBondContact O-N 3.19Å; V559-A561 VanDerWaalsContact C-N 3.35Å; V559-A561 PolarHBondContact O-N 3.4Å; V559-S562 WeakPolarHBondContact O-CB 3.26Å; V559-S562 PolarHBondContact O-N 2.89Å; V559-S562 VanDerWaalsContact O-N 3.14Å; V559-C563 PolarHBondContact O-N 3.05Å; V559-C563 PolarHBondContact O-SG 2.82Å
560L97Very high95.7Very high1 Ų116.1 Ų16.11%0.0057%0.067CC..Hα-helixtrans-62.8-42.4176.7-178.757.7000111.5L432 C435 H436 A521 L524 S556 R557 S562 C563 L564L432-L560 HydrophobicContact CB-CD1 4.46Å; L432-L560 HydrophobicContact CD2-CD1 4.13Å; C435-L560 HydrophobicContact CB-CD2 4Å; H436-L560 HydrophobicContact CB-CD2 3.84Å; H436-L560 HydrophobicContact CB-CG 4.28Å; A521-L560 HydrophobicContact CB-CD1 4.13Å; L524-L560 HydrophobicContact CD2-CB 4.18Å; S556-L560 VanDerWaalsContact O-CB 3.23Å; S556-L560 WeakPolarHBondContact O-CB 3.18Å; S556-L560 PolarHBondContact O-N 3.44Å; R557-L560 PolarHBondContact O-N 3.04Å; L560-S562 VanDerWaalsContact C-N 3.26Å; L560-S562 PolarHBondContact O-N 3.48Å; L560-C563 PolarHBondContact O-N 2.62Å; L560-L564 HydrophobicContact CG-CD1 4.44Å; L560-L564 WeakPolarHBondContact O-CG 3.38Å; L560-L564 PolarHBondContact O-N 3.4Å
561A95.5Very high95.7Very high4 Ų417 Ų173%0.0337%0.072CC..Hα-helixtrans-57.8-40.4173.300000111.7H436 R557 N558 V559 L564 R565 P571H436-A561 WeakPolarHBondContact NE2-CB 3.45Å; R557-A561 VanDerWaalsContact O-CB 3.3Å; R557-A561 WeakPolarHBondContact O-CB 3.23Å; R557-A561 PolarHBondContact O-N 2.75Å; N558-A561 PolarHBondContact O-N 3.35Å; V559-A561 VanDerWaalsContact C-N 3.35Å; V559-A561 PolarHBondContact O-N 3.4Å; A561-L564 PolarHBondContact O-N 3.25Å; A561-R565 VanDerWaalsContact O-CG 3.31Å; A561-R565 WeakPolarHBondContact O-CG 3.43Å; A561-R565 PolarHBondContact O-N 3.45Å; A561-P571 HydrophobicContact CB-CB 4.23Å; A561-P571 HydrophobicContact CB-CG 3.94Å; A561-P571 WeakPolarHBondContact O-CG 3.42Å
562S95.1Very high95.6Very high4 Ų417.3 Ų17.33%0.0287%0.074CC..Hα-helixtrans-67.3-42.2177.5-58.20000111.9P16 N558 V559 L560 L564 R565 L566P16-S562 VanDerWaalsContact CD-OG 3.29Å; P16-S562 WeakPolarHBondContact CD-OG 3.49Å; P16-S562 WeakPolarHBondContact CG-OG 3.46Å; N558-S562 WeakPolarHBondContact O-CB 3.31Å; N558-S562 PolarHBondContact O-N 2.96Å; N558-S562 PolarHBondContact O-OG 3.04Å; V559-S562 WeakPolarHBondContact O-CB 3.26Å; V559-S562 PolarHBondContact O-N 2.89Å; V559-S562 VanDerWaalsContact O-N 3.14Å; L560-S562 VanDerWaalsContact C-N 3.26Å; L560-S562 PolarHBondContact O-N 3.48Å; S562-L564 VanDerWaalsContact C-N 3.35Å; S562-L564 PolarHBondContact O-N 3.38Å; S562-R565 PolarHBondContact O-N 2.93Å; S562-L566 WeakPolarHBondContact O-CB 3.49Å; S562-L566 VanDerWaalsContact O-CG 3.26Å; S562-L566 WeakPolarHBondContact O-CG 3.46Å; S562-L566 PolarHBondContact O-N 3.26Å
563C97.1Very high95.3Very high0 Ų020.9 Ų20.90%010%0.099CC..Hα-helixtrans-59.6-45.7174.7-63.10000111.6V517 A521 V559 L560 L566 M567V517-C563 HydrophobicContact CG1-CB 3.82Å; A521-C563 HydrophobicContact CB-CB 3.91Å; V559-C563 PolarHBondContact O-N 3.05Å; V559-C563 PolarHBondContact O-SG 2.82Å; L560-C563 PolarHBondContact O-N 2.62Å; C563-L566 PolarHBondContact O-N 3.47Å; C563-M567 WeakPolarHBondContact O-CE 3.49Å; C563-M567 WeakPolarHBondContact O-CG 3.37Å; C563-M567 PolarHBondContact O-N 3.3Å; C563-M567 VanDerWaalsContact O-N 3.13Å
564L97.3Very high94.7Very high0 Ų022.9 Ų22.90%012%0.117CC..Hα-helixtrans-59.7-48.3176.2-71.9169.2000111.2L432 H436 L560 A561 S562 L566 M567 G568 I569 P571L432-L564 HydrophobicContact CB-CD2 4.06Å; L432-L564 HydrophobicContact CD1-CD2 4.22Å; H436-L564 HydrophobicContact CB-CD1 4.25Å; L560-L564 HydrophobicContact CG-CD1 4.44Å; L560-L564 WeakPolarHBondContact O-CG 3.38Å; L560-L564 PolarHBondContact O-N 3.4Å; A561-L564 PolarHBondContact O-N 3.25Å; S562-L564 VanDerWaalsContact C-N 3.35Å; S562-L564 PolarHBondContact O-N 3.38Å; L564-L566 PolarHBondContact O-N 3.01Å; L564-M567 HydrophobicContact CD2-CE 4.27Å; L564-M567 CarbonylContact O-C 3.13Å; L564-M567 PolarHBondContact O-N 3.07Å; L564-M567 VanDerWaalsContact O-N 3.17Å; L564-G568 PolarHBondContact O-N 3.41Å; L564-I569 CarbonylContact C-O 3.53Å; L564-I569 HydrophobicContact CB-CB 4.26Å; L564-I569 HydrophobicContact CB-CG2 4.41Å; L564-I569 HydrophobicContact CD2-CB 4.18Å; L564-I569 HydrophobicContact CD2-CD1 4.18Å; L564-I569 HydrophobicContact CD2-CG2 3.9Å; L564-I569 WeakPolarHBondContact O-CA 3.42Å; L564-I569 WeakPolarHBondContact O-CB 3.38Å; L564-I569 PolarHBondContact O-N 3.45Å; L564-I569 VanDerWaalsContact O-O 3.11Å; L564-P571 HydrophobicContact CB-CG 4Å; L564-P571 HydrophobicContact CD1-CB 3.94Å; L564-P571 HydrophobicContact CD1-CG 4.27Å
565R96.1Very high94.1Very high126 Ų12623.7 Ų23.748%0.47512%0.121SC..Hα-helixtrans-62.5-41.5178.4-71.2179.2-163.2116.6-0.7112.9N63 A561 S562 M567 G568 I569 P571N63-R565 PolarHBondContact ND2-O 3.28Å; A561-R565 VanDerWaalsContact O-CG 3.31Å; A561-R565 WeakPolarHBondContact O-CG 3.43Å; A561-R565 PolarHBondContact O-N 3.45Å; S562-R565 PolarHBondContact O-N 2.93Å; R565-M567 VanDerWaalsContact C-N 3.26Å; R565-M567 PolarHBondContact O-N 3.1Å; R565-G568 WeakPolarHBondContact O-CA 3.47Å; R565-G568 PolarHBondContact O-N 3.23Å; R565-I569 PolarHBondContact N-O 3.39Å; R565-P571 HydrophobicContact CG-CG 3.96Å
566L96.2Very high94.1Very high7 Ų724.9 Ų24.94%0.03713%0.127CC..Hα-helixtrans-57.6-42.8175-73.8167.9000110.9F60 N63 V64 A67 L505 V517 S562 C563 L564 G568F60-L566 WeakPolarHBondContact CD2-O 3.35Å; F60-L566 HydrophobicContact CE2-CB 4.46Å; N63-L566 PolarHBondContact ND2-O 2.95Å; V64-L566 HydrophobicContact CB-CD2 4.24Å; V64-L566 HydrophobicContact CG2-CD2 4.27Å; A67-L566 HydrophobicContact CB-CD2 3.68Å; L505-L566 HydrophobicContact CD1-CD1 3.67Å; L505-L566 HydrophobicContact CD1-CD2 4.39Å; V517-L566 HydrophobicContact CG1-CB 4.44Å; V517-L566 HydrophobicContact CG1-CD1 4.48Å; S562-L566 WeakPolarHBondContact O-CB 3.49Å; S562-L566 VanDerWaalsContact O-CG 3.26Å; S562-L566 WeakPolarHBondContact O-CG 3.46Å; S562-L566 PolarHBondContact O-N 3.26Å; C563-L566 PolarHBondContact O-N 3.47Å; L564-L566 PolarHBondContact O-N 3.01Å; L566-G568 PolarHBondContact O-N 3.02Å
567M97.4Very high93.9Very high3 Ų326.2 Ų26.22%0.01513%0.133CC..THydrogen-bonded Turntrans-71.90.3174.5-67.3-174.1-7000114.3V385 F389 L432 V517 L518 C563 L564 R565 I569V385-M567 HydrophobicContact CG1-CB 4.5Å; V385-M567 WeakPolarHBondContact CG1-O 3.4Å; F389-M567 HydrophobicContact CD2-CB 4.07Å; F389-M567 HydrophobicContact CD2-CG 3.84Å; F389-M567 HydrophobicContact CD2-SD 4.03Å; F389-M567 HydrophobicContact CE2-CB 3.84Å; F389-M567 HydrophobicContact CE2-CG 4.01Å; L432-M567 HydrophobicContact CD1-CE 4.1Å; V517-M567 HydrophobicContact CG1-CG 4.17Å; L518-M567 HydrophobicContact CB-SD 3.93Å; L518-M567 HydrophobicContact CD1-CE 4.42Å; L518-M567 HydrophobicContact CD1-SD 4.08Å; C563-M567 WeakPolarHBondContact O-CE 3.49Å; C563-M567 WeakPolarHBondContact O-CG 3.37Å; C563-M567 PolarHBondContact O-N 3.3Å; C563-M567 VanDerWaalsContact O-N 3.13Å; L564-M567 HydrophobicContact CD2-CE 4.27Å; L564-M567 CarbonylContact O-C 3.13Å; L564-M567 PolarHBondContact O-N 3.07Å; L564-M567 VanDerWaalsContact O-N 3.17Å; R565-M567 VanDerWaalsContact C-N 3.26Å; R565-M567 PolarHBondContact O-N 3.1Å; M567-I569 VanDerWaalsContact C-N 3.34Å; M567-I569 HydrophobicContact CB-CD1 3.99Å; M567-I569 HydrophobicContact CB-CG1 4.44Å; M567-I569 HydrophobicContact CE-CD1 4.3Å
568G96.5Very high93.8Very high7 Ų725.2 Ų25.27%0.07213%0.131CC..THydrogen-bonded Turntrans82.47-177.400000114.7N63 N178 L564 R565 L566N63-G568 WeakPolarHBondContact ND2-CA 3.39Å; N178-G568 PolarHBondContact ND2-O 3.39Å; L564-G568 PolarHBondContact O-N 3.41Å; R565-G568 WeakPolarHBondContact O-CA 3.47Å; R565-G568 PolarHBondContact O-N 3.23Å; L566-G568 PolarHBondContact O-N 3.02Å
569I96.7Very high93.8Very high4 Ų426.2 Ų26.22%0.02114%0.137CC..PPolyproline II helixtrans-94.2124.5-177.3-61.7157.3000109.8T382 V385 T386 L564 R565 M567 P571T382-I569 HydrophobicContact CG2-CD1 4.02Å; T382-I569 HydrophobicContact CG2-CG1 4.44Å; T382-I569 HydrophobicContact CG2-CG2 3.95Å; T382-I569 WeakPolarHBondContact OG1-CG2 3.47Å; V385-I569 HydrophobicContact CB-CD1 4.18Å; V385-I569 HydrophobicContact CB-CG1 4.27Å; V385-I569 HydrophobicContact CG1-CD1 3.86Å; V385-I569 HydrophobicContact CG1-CG1 4.03Å; T386-I569 HydrophobicContact CG2-CD1 4Å; L564-I569 CarbonylContact C-O 3.53Å; L564-I569 HydrophobicContact CB-CB 4.26Å; L564-I569 HydrophobicContact CB-CG2 4.41Å; L564-I569 HydrophobicContact CD2-CB 4.18Å; L564-I569 HydrophobicContact CD2-CD1 4.18Å; L564-I569 HydrophobicContact CD2-CG2 3.9Å; L564-I569 WeakPolarHBondContact O-CA 3.42Å; L564-I569 WeakPolarHBondContact O-CB 3.38Å; L564-I569 PolarHBondContact O-N 3.45Å; L564-I569 VanDerWaalsContact O-O 3.11Å; R565-I569 PolarHBondContact N-O 3.39Å; M567-I569 VanDerWaalsContact C-N 3.34Å; M567-I569 HydrophobicContact CB-CD1 3.99Å; M567-I569 HydrophobicContact CB-CG1 4.44Å; M567-I569 HydrophobicContact CE-CD1 4.3Å; I569-P571 VanDerWaalsContact O-CD 3.31Å; I569-P571 WeakPolarHBondContact O-CD 3.32Å
570R94.5Very high93.7Very high116 Ų11627.9 Ų27.944%0.43815%0.145SC..PPolyproline II helixtrans-66.2120.7169.6-178.2-179.3174.3-175.5-2.9109.9H378 Q433 L572H378-R570 PolarHBondContact NE2-O 3.23Å; Q433-R570 PolarHBondContact NE2-O 2.72Å; R570-L572 PolarHBondContact O-N 3.01Å
571P94.1Very high93.5Very high19 Ų1929.7 Ų29.712%0.12316%0.155CC..PPolyproline II helixtrans-68127.4173.8-1629.8000110.5H436 A561 L564 R565 I569H436-P571 VanDerWaalsContact CE1-CB 3.41Å; H436-P571 WeakPolarHBondContact CE1-CB 3.35Å; A561-P571 HydrophobicContact CB-CB 4.23Å; A561-P571 HydrophobicContact CB-CG 3.94Å; A561-P571 WeakPolarHBondContact O-CG 3.42Å; L564-P571 HydrophobicContact CB-CG 4Å; L564-P571 HydrophobicContact CD1-CB 3.94Å; L564-P571 HydrophobicContact CD1-CG 4.27Å; R565-P571 HydrophobicContact CG-CG 3.96Å; I569-P571 VanDerWaalsContact O-CD 3.31Å; I569-P571 WeakPolarHBondContact O-CD 3.32Å
572L92.2Very high93.3Very high11 Ų1131.5 Ų31.56%0.05816%0.163CC..PPolyproline II helixtrans-87.4134.5175.6-63.6-179.4000110.6L370 I375 L379 H436 R570 I575L370-L572 HydrophobicContact CD1-CD2 4.03Å; I375-L572 HydrophobicContact CG2-CD1 4.12Å; L379-L572 HydrophobicContact CD2-CD1 3.96Å; L379-L572 HydrophobicContact CG-CD1 4.32Å; H436-L572 PolarHBondContact ND1-O 2.89Å; R570-L572 PolarHBondContact O-N 3.01Å; L572-I575 HydrophobicContact CB-CD1 4.47Å; L572-I575 HydrophobicContact CB-CG1 4.13Å; L572-I575 HydrophobicContact CD1-CD1 4.3Å; L572-I575 HydrophobicContact CD1-CG1 3.94Å
573S88.6Confident93.2Very high75 Ų7533.6 Ų33.652%0.52417%0.174SC..SBendtrans-80.6-23.1176.451.70000113.2C440C440-S573 WeakPolarHBondContact CB-O 3.43Å
574A84.7Confident92.9Very high46 Ų4636.4 Ų36.438%0.3819%0.188SC..  trans-147.7149.9178.800000110.3
575I80Confident92.4Very high23 Ų2339.7 Ų39.712%0.11821%0.206CC..  trans-142.80178.5-56.1170.5000109T357 R358 L379 Q433 A437 L572T357-I575 WeakPolarHBondContact CG2-OXT 3.36Å; R358-I575 PolarHBondContact N-O 3.13Å; L379-I575 HydrophobicContact CD1-CG2 3.93Å; L379-I575 HydrophobicContact CD2-CD1 4.19Å; Q433-I575 VanDerWaalsContact C-CD1 3.43Å; Q433-I575 HydrophobicContact CB-CD1 3.6Å; Q433-I575 WeakPolarHBondContact O-CD1 3.38Å; A437-I575 HydrophobicContact CB-CD1 4.09Å; A437-I575 HydrophobicContact CB-CG1 4.06Å; L572-I575 HydrophobicContact CB-CD1 4.47Å; L572-I575 HydrophobicContact CB-CG1 4.13Å; L572-I575 HydrophobicContact CD1-CD1 4.3Å; L572-I575 HydrophobicContact CD1-CG1 3.94Å

Retrieved 575 of 575 residues in 767.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).