A0A3Q0KCG3_SCHMA Loading...

ATPase_AAA_core domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KCG3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 733 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M78.6Confident86.1Confident108 Ų10850.7 Ų50.753%0.53224%0.243SC..  0-70.90-56.4-46.3-75.400112.4K3 L4 E5 H10M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 3.44Å; M1-K3 VanDerWaalsContact O-N 3.12Å; M1-L4 WeakPolarHBondContact O-CA 3.5Å; M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 PolarHBondContact O-N 3.46Å; M1-E5 WeakPolarHBondContact CE-OE1 3.29Å; M1-E5 PolarHBondContact O-N 3.41Å; M1-H10 VanDerWaalsContact C-CE1 3.48Å; M1-H10 VanDerWaalsContact CB-NE2 3.32Å; M1-H10 WeakPolarHBondContact CB-NE2 3.49Å
2V86.4Confident86.2Confident29 Ų2949.1 Ų49.118%0.17623%0.234CC..Hα-helixtrans-49.6-45.3-177.5-179.60000115.1L6 S7 H10 Y457 L704V2-L6 WeakPolarHBondContact O-CA 3.32Å; V2-L6 PolarHBondContact O-N 3Å; V2-S7 WeakPolarHBondContact CA-O 3.43Å; V2-S7 PolarHBondContact O-N 3.16Å; V2-H10 PolarHBondContact N-CE1 2.73Å; V2-H10 PolarHBondContact N-NE2 3.21Å; V2-Y457 WeakPolarHBondContact CG2-OH 3.48Å; V2-L704 HydrophobicContact CG1-CD1 4.4Å; V2-L704 HydrophobicContact CG1-CD2 4.46Å
3K85.1Confident86.4Confident194 Ų19445.8 Ų45.884%0.84322%0.219SC*.Hα-helixtrans-70.9-29.3177.6-69.5-177.8179.2176.90113.9M1M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 3.44Å; M1-K3 VanDerWaalsContact O-N 3.12Å
4L83.2Confident86.7Confident90 Ų9046.8 Ų46.847%0.47123%0.226SC..Hα-helixtrans-75.4-49.7-179.9-94.7152000110.3M1 F294M1-L4 WeakPolarHBondContact O-CA 3.5Å; M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 PolarHBondContact O-N 3.46Å; L4-F294 HydrophobicContact CD1-CD1 3.79Å; L4-F294 HydrophobicContact CD1-CD2 3.66Å; L4-F294 HydrophobicContact CD1-CE1 3.75Å; L4-F294 HydrophobicContact CD1-CE2 3.61Å; L4-F294 HydrophobicContact CD1-CG 3.74Å; L4-F294 HydrophobicContact CD1-CZ 3.66Å; L4-F294 HydrophobicContact CD2-CB 4.37Å; L4-F294 HydrophobicContact CD2-CD2 3.69Å; L4-F294 HydrophobicContact CD2-CE2 4.19Å; L4-F294 HydrophobicContact CD2-CG 4.11Å; L4-F294 HydrophobicContact CG-CD2 3.81Å; L4-F294 HydrophobicContact CG-CE2 3.8Å; L4-F294 HydrophobicContact CG-CG 4.32Å; L4-F294 HydrophobicContact CG-CZ 4.31Å
5E83.3Confident86.8Confident55 Ų5548.7 Ų48.726%0.25724%0.237SC..Hα-helixtrans-89.6-5.8-177.2-66.1-176.5-161.400113.8M1 S7 H10 R437M1-E5 WeakPolarHBondContact CE-OE1 3.29Å; M1-E5 PolarHBondContact O-N 3.41Å; E5-S7 PolarHBondContact O-N 3.43Å; E5-S7 VanDerWaalsContact O-N 3.08Å; E5-H10 IonicContact OE1-ND1 3.84Å; E5-H10 IonicContact OE2-CE1 3.77Å; E5-H10 IonicContact OE2-CG 3.43Å; E5-H10 IonicContact OE2-ND1 2.7Å; E5-H10 PolarHBondContact OE2-ND1 3.13Å; E5-R437 IonicContact OE2-CZ 2.76Å; E5-R437 IonicContact OE2-NH1 2.7Å; E5-R437 PolarHBondContact OE2-NH1 2.88Å; E5-R437 IonicContact OE2-NH2 2.6Å
6L87.9Confident87Confident34 Ų3446.1 Ų46.118%0.17823%0.225CC..THydrogen-bonded Turntrans49.835.3-173.7-58.7172000112.6V2 Q707 K708 A711V2-L6 WeakPolarHBondContact O-CA 3.32Å; V2-L6 PolarHBondContact O-N 3Å; L6-Q707 HydrophobicContact CD1-CB 4.46Å; L6-Q707 HydrophobicContact CD2-CB 4.08Å; L6-K708 HydrophobicContact CB-CB 3.89Å; L6-K708 HydrophobicContact CB-CG 4.31Å; L6-A711 HydrophobicContact CD1-CB 3.51Å
7S87.7Confident87.1Confident5 Ų550.5 Ų50.54%0.03525%0.248CC..  trans-138.1138.4-176.3-177.50000109.5V2 E5 Y9 H10 R437V2-S7 WeakPolarHBondContact CA-O 3.43Å; V2-S7 PolarHBondContact O-N 3.16Å; E5-S7 PolarHBondContact O-N 3.43Å; E5-S7 VanDerWaalsContact O-N 3.08Å; S7-Y9 VanDerWaalsContact C-N 3.31Å; S7-Y9 WeakPolarHBondContact CB-O 3.34Å; S7-Y9 PolarHBondContact OG-N 3.16Å; S7-Y9 PolarHBondContact OG-O 3.19Å; S7-H10 PolarHBondContact O-CE1 3.45Å; S7-H10 VanDerWaalsContact O-CE1 3.31Å; S7-R437 PolarHBondContact OG-NH2 3.41Å
8E89.4Confident87.3Confident13 Ų1354.8 Ų54.86%0.06127%0.272CS..SBendtrans-73.9-29.4167-60.9-67.2174.100110.4L453 Y457 K603 L704E8-L453 HydrophobicContact CB-CD1 4.01Å; E8-L453 HydrophobicContact CB-CD2 4.48Å; E8-L453 WeakPolarHBondContact O-CD2 3.22Å; E8-Y457 VanDerWaalsContact OE2-CE2 3.24Å; E8-Y457 WeakPolarHBondContact OE2-CE2 3.39Å; E8-Y457 VanDerWaalsContact OE2-CZ 3.26Å; E8-Y457 PolarHBondContact OE2-OH 2.91Å; E8-K603 VanDerWaalsContact CD-NZ 3.32Å; E8-K603 WeakPolarHBondContact OE1-CD 3.16Å; E8-K603 IonicContact OE1-NZ 3.27Å; E8-K603 PolarHBondContact OE1-NZ 2.93Å; E8-K603 IonicContact OE2-NZ 2.8Å; E8-K603 PolarHBondContact OE2-NZ 3.31Å; E8-L704 HydrophobicContact CG-CD2 3.68Å
9Y90.5Very high87.6Confident9 Ų957.8 Ų57.84%0.03529%0.288CS..  trans-93.7129.4-177.9-50.4-79.6000111.1S7 R437 P445 D449 L453 L606S7-Y9 VanDerWaalsContact C-N 3.31Å; S7-Y9 WeakPolarHBondContact CB-O 3.34Å; S7-Y9 PolarHBondContact OG-N 3.16Å; S7-Y9 PolarHBondContact OG-O 3.19Å; Y9-R437 PolarHBondContact O-NH2 3.21Å; Y9-P445 HydrophobicContact CD1-CB 3.45Å; Y9-P445 VanDerWaalsContact CD1-CB 3.45Å; Y9-P445 HydrophobicContact CD1-CG 4.47Å; Y9-P445 HydrophobicContact CD2-CB 4.1Å; Y9-P445 HydrophobicContact CD2-CG 4.43Å; Y9-P445 HydrophobicContact CE1-CB 3.31Å; Y9-P445 HydrophobicContact CE1-CG 4.06Å; Y9-P445 HydrophobicContact CE2-CB 4.04Å; Y9-P445 HydrophobicContact CE2-CG 4.08Å; Y9-P445 HydrophobicContact CG-CB 3.82Å; Y9-D449 HydrophobicContact CD1-CB 3.75Å; Y9-D449 HydrophobicContact CE1-CB 4.34Å; Y9-L453 HydrophobicContact CD1-CD1 3.64Å; Y9-L453 HydrophobicContact CE1-CD1 3.35Å; Y9-L453 HydrophobicContact CG-CD1 4.5Å; Y9-L606 WeakPolarHBondContact OH-CA 3.46Å; Y9-L606 PolarHBondContact OH-N 3.4Å; Y9-L606 PolarHBondContact OH-O 3.16Å
10H87.9Confident87.8Confident10 Ų1064.6 Ų64.65%0.04632%0.316CS..  trans-119.3129-179.3-61.9-50.9000109.5M1 V2 E5 S7 F12M1-H10 VanDerWaalsContact C-CE1 3.48Å; M1-H10 VanDerWaalsContact CB-NE2 3.32Å; M1-H10 WeakPolarHBondContact CB-NE2 3.49Å; V2-H10 PolarHBondContact N-CE1 2.73Å; V2-H10 PolarHBondContact N-NE2 3.21Å; E5-H10 IonicContact OE1-ND1 3.84Å; E5-H10 IonicContact OE2-CE1 3.77Å; E5-H10 IonicContact OE2-CG 3.43Å; E5-H10 IonicContact OE2-ND1 2.7Å; E5-H10 PolarHBondContact OE2-ND1 3.13Å; S7-H10 PolarHBondContact O-CE1 3.45Å; S7-H10 VanDerWaalsContact O-CE1 3.31Å; H10-F12 HydrophobicContact CB-CE1 3.91Å; H10-F12 HydrophobicContact CB-CZ 3.93Å
11Y87.3Confident87.9Confident11 Ų1165.1 Ų65.14%0.04332%0.32CS..  trans-106.9128.1-178.9-52.6-73.6000108.3P443Y11-P443 HydrophobicContact CD2-CG 3.95Å; Y11-P443 HydrophobicContact CE1-CB 3.91Å; Y11-P443 HydrophobicContact CE1-CG 4.28Å; Y11-P443 HydrophobicContact CE2-CB 3.97Å; Y11-P443 HydrophobicContact CE2-CG 3.54Å; Y11-P443 HydrophobicContact CG-CG 4.49Å; Y11-P443 PolarHBondContact OH-O 3.21Å; Y11-P443 VanDerWaalsContact OH-O 3.04Å
12F87.3Confident88.3Confident31 Ų3163.4 Ų63.414%0.13632%0.315CS..  trans-124.817.5-174.5-57.7-39000111.1H10 D14 I15 L16 V26 Y429 R452H10-F12 HydrophobicContact CB-CE1 3.91Å; H10-F12 HydrophobicContact CB-CZ 3.93Å; F12-D14 VanDerWaalsContact C-N 3.3Å; F12-D14 PolarHBondContact O-N 3.34Å; F12-I15 HydrophobicContact CB-CB 4.4Å; F12-I15 HydrophobicContact CD1-CD1 3.99Å; F12-I15 PolarHBondContact O-N 3.44Å; F12-I15 VanDerWaalsContact O-N 3.14Å; F12-L16 HydrophobicContact CB-CG 4.46Å; F12-L16 VanDerWaalsContact O-CG 3.24Å; F12-L16 WeakPolarHBondContact O-CG 3.47Å; F12-L16 PolarHBondContact O-N 2.87Å; F12-V26 HydrophobicContact CD2-CG1 4Å; F12-V26 HydrophobicContact CE2-CG1 4.39Å; F12-Y429 WeakPolarHBondContact CA-OH 3.2Å; F12-Y429 WeakPolarHBondContact CB-OH 3.44Å; F12-Y429 PolarHBondContact N-OH 2.95Å; F12-R452 VanDerWaalsContact CE2-CZ 3.49Å
13D89.2Confident88.3Confident6 Ų663.3 Ų63.33%0.03232%0.315CS..Hα-helixtrans-57.2-41.4-174.843-56.9000112.7I17 Y429 G433 T434D13-I17 WeakPolarHBondContact O-CD1 3.28Å; D13-I17 VanDerWaalsContact O-CG1 3.26Å; D13-I17 WeakPolarHBondContact O-CG1 3.41Å; D13-I17 PolarHBondContact O-N 3.32Å; D13-Y429 HydrophobicContact CB-CE1 4.41Å; D13-G433 PolarHBondContact OD1-N 3.34Å; D13-G433 PolarHBondContact OD2-N 3.2Å; D13-G433 VanDerWaalsContact OD2-N 3.13Å; D13-T434 VanDerWaalsContact CG-N 3.3Å; D13-T434 PolarHBondContact OD1-N 3.48Å; D13-T434 PolarHBondContact OD1-OG1 3.41Å; D13-T434 WeakPolarHBondContact OD2-CB 3.49Å; D13-T434 PolarHBondContact OD2-N 3.3Å
14D89.8Confident88.2Confident60 Ų6058.3 Ų58.332%0.32131%0.305SS..Hα-helixtrans-64.2-49.1172.656.3-25.8000112.2F12 L16 I17 D18 T434F12-D14 VanDerWaalsContact C-N 3.3Å; F12-D14 PolarHBondContact O-N 3.34Å; D14-L16 VanDerWaalsContact C-N 3.28Å; D14-L16 PolarHBondContact O-N 3.05Å; D14-I17 PolarHBondContact O-N 3.41Å; D14-I17 VanDerWaalsContact O-N 3.14Å; D14-D18 WeakPolarHBondContact O-CB 3.29Å; D14-D18 PolarHBondContact O-N 3.41Å; D14-T434 HydrophobicContact CB-CG2 4.1Å; D14-T434 PolarHBondContact OD1-OG1 3.16Å; D14-T434 VanDerWaalsContact OD1-OG1 3.05Å
15I88.4Confident88.3Confident76 Ų7658.8 Ų58.839%0.3931%0.308SS..Hα-helixtrans-61-38.4-180-60.2175000111.3F12 D18 L19F12-I15 HydrophobicContact CB-CB 4.4Å; F12-I15 HydrophobicContact CD1-CD1 3.99Å; F12-I15 PolarHBondContact O-N 3.44Å; F12-I15 VanDerWaalsContact O-N 3.14Å; I15-D18 PolarHBondContact O-N 3.22Å; I15-L19 HydrophobicContact CG2-CD1 3.7Å; I15-L19 HydrophobicContact CG2-CG 4.22Å; I15-L19 WeakPolarHBondContact O-CB 3.45Å; I15-L19 WeakPolarHBondContact O-CG 3.5Å; I15-L19 PolarHBondContact O-N 2.95Å
16L90.7Very high88.4Confident7 Ų758.4 Ų58.44%0.03731%0.31CS..Hα-helixtrans-65.6-41.4177.6-67.8174.7000111.8F12 D14 K20 L21 P23 V26 Y429F12-L16 HydrophobicContact CB-CG 4.46Å; F12-L16 VanDerWaalsContact O-CG 3.24Å; F12-L16 WeakPolarHBondContact O-CG 3.47Å; F12-L16 PolarHBondContact O-N 2.87Å; D14-L16 VanDerWaalsContact C-N 3.28Å; D14-L16 PolarHBondContact O-N 3.05Å; L16-K20 CarbonylContact O-C 3.49Å; L16-K20 WeakPolarHBondContact O-CA 3.43Å; L16-K20 PolarHBondContact O-N 3Å; L16-L21 HydrophobicContact CD2-CB 3.75Å; L16-L21 PolarHBondContact O-N 2.98Å; L16-P23 HydrophobicContact CD1-CG 4.32Å; L16-V26 HydrophobicContact CD1-CG2 3.85Å; L16-V26 HydrophobicContact CD2-CB 4.43Å; L16-V26 HydrophobicContact CD2-CG1 4.36Å; L16-V26 HydrophobicContact CD2-CG2 3.27Å; L16-V26 HydrophobicContact CG-CG2 4.1Å; L16-Y429 HydrophobicContact CD1-CD1 4.28Å; L16-Y429 HydrophobicContact CD1-CE1 3.63Å
17I88.1Confident88.3Confident121 Ų12160 Ų6062%0.62132%0.316SS*.Hα-helixtrans-64.3-48.8175.6-67.5165.4000109.9D13 D14 L19 K20D13-I17 WeakPolarHBondContact O-CD1 3.28Å; D13-I17 VanDerWaalsContact O-CG1 3.26Å; D13-I17 WeakPolarHBondContact O-CG1 3.41Å; D13-I17 PolarHBondContact O-N 3.32Å; D14-I17 PolarHBondContact O-N 3.41Å; D14-I17 VanDerWaalsContact O-N 3.14Å; I17-L19 PolarHBondContact O-N 3.38Å; I17-K20 PolarHBondContact O-N 3.07Å; I17-K20 VanDerWaalsContact O-N 3.15Å
18D91.1Very high88.4Confident127 Ų12762 Ų6268%0.67933%0.326SS*.Hα-helixtrans-62-42.2-177.5-73.4-12000112.3D14 I15 K20D14-D18 WeakPolarHBondContact O-CB 3.29Å; D14-D18 PolarHBondContact O-N 3.41Å; I15-D18 PolarHBondContact O-N 3.22Å; D18-K20 VanDerWaalsContact C-N 3.32Å
19L93.3Very high88.5Confident112 Ų11266.5 Ų66.559%0.58636%0.356SS*.THydrogen-bonded Turntrans-86.20.2178.9-62.5-179.7000113.7I15 I17 L21I15-L19 HydrophobicContact CG2-CD1 3.7Å; I15-L19 HydrophobicContact CG2-CG 4.22Å; I15-L19 WeakPolarHBondContact O-CB 3.45Å; I15-L19 WeakPolarHBondContact O-CG 3.5Å; I15-L19 PolarHBondContact O-N 2.95Å; I17-L19 PolarHBondContact O-N 3.38Å; L19-L21 HydrophobicContact CB-CD1 3.84Å; L19-L21 HydrophobicContact CB-CG 3.83Å; L19-L21 HydrophobicContact CD1-CD1 4.03Å; L19-L21 PolarHBondContact O-N 2.99Å
20K91.3Very high88.6Confident193 Ų19367.7 Ų67.784%0.83936%0.363SS*.THydrogen-bonded Turntrans52.937.9-174.7-57179.4180177.40112.9L16 I17 D18L16-K20 CarbonylContact O-C 3.49Å; L16-K20 WeakPolarHBondContact O-CA 3.43Å; L16-K20 PolarHBondContact O-N 3Å; I17-K20 PolarHBondContact O-N 3.07Å; I17-K20 VanDerWaalsContact O-N 3.15Å; D18-K20 VanDerWaalsContact C-N 3.32Å
21L89.7Confident88.8Confident77 Ų7769.1 Ų69.140%0.40337%0.373SS..  trans-97.9155.4177-65.8176.7000110.3L16 L19 D25L16-L21 HydrophobicContact CD2-CB 3.75Å; L16-L21 PolarHBondContact O-N 2.98Å; L19-L21 HydrophobicContact CB-CD1 3.84Å; L19-L21 HydrophobicContact CB-CG 3.83Å; L19-L21 HydrophobicContact CD1-CD1 4.03Å; L19-L21 PolarHBondContact O-N 2.99Å; L21-D25 HydrophobicContact CB-CB 4.33Å; L21-D25 HydrophobicContact CD2-CB 4.27Å
22T87.3Confident88.8Confident71 Ų7174.1 Ų74.144%0.43640%0.395SS..  trans-97.3158.6174.370.10000110.6S24 D25T22-S24 PolarHBondContact O-N 3.02Å; T22-S24 VanDerWaalsContact O-N 3.11Å; T22-D25 WeakPolarHBondContact CA-OD2 3.49Å; T22-D25 WeakPolarHBondContact CB-OD2 3.37Å; T22-D25 PolarHBondContact N-OD2 3.31Å; T22-D25 WeakPolarHBondContact O-CB 3.47Å; T22-D25 PolarHBondContact O-N 3.09Å; T22-D25 VanDerWaalsContact OG1-CG 3.31Å; T22-D25 PolarHBondContact OG1-OD2 3.33Å
23P85.2Confident88.8Confident27 Ų2777.1 Ų77.118%0.17541%0.406CS..Hα-helixtrans-57.5-25.4173.9-27.736.5000114.3L16 D25 V26 E27 Y429 Y431L16-P23 HydrophobicContact CD1-CG 4.32Å; P23-D25 PolarHBondContact O-N 2.96Å; P23-V26 PolarHBondContact O-N 3.3Å; P23-E27 PolarHBondContact O-N 2.75Å; P23-Y429 HydrophobicContact CB-CD1 4.12Å; P23-Y429 HydrophobicContact CB-CD2 4.23Å; P23-Y429 HydrophobicContact CB-CG 3.73Å; P23-Y429 HydrophobicContact CG-CD1 3.87Å; P23-Y429 HydrophobicContact CG-CG 3.96Å; P23-Y431 HydrophobicContact CG-CE1 3.67Å; P23-Y431 WeakPolarHBondContact CG-OH 3.42Å
24S83.9Confident88.9Confident90 Ų9077.1 Ų77.163%0.62941%0.406SS*.Hα-helixtrans-67.2-24.9174.2-600000112.9T22T22-S24 PolarHBondContact O-N 3.02Å; T22-S24 VanDerWaalsContact O-N 3.11Å
25D85.9Confident88.9Confident99 Ų9976.2 Ų76.253%0.52940%0.402SS..Hα-helixtrans-78.7-22.7-178.9-58.5-49.8000112.8L21 T22 P23L21-D25 HydrophobicContact CB-CB 4.33Å; L21-D25 HydrophobicContact CD2-CB 4.27Å; T22-D25 WeakPolarHBondContact CA-OD2 3.49Å; T22-D25 WeakPolarHBondContact CB-OD2 3.37Å; T22-D25 PolarHBondContact N-OD2 3.31Å; T22-D25 WeakPolarHBondContact O-CB 3.47Å; T22-D25 PolarHBondContact O-N 3.09Å; T22-D25 VanDerWaalsContact OG1-CG 3.31Å; T22-D25 PolarHBondContact OG1-OD2 3.33Å; P23-D25 PolarHBondContact O-N 2.96Å
26V85.3Confident88.8Confident48 Ų4876 Ų7629%0.29140%0.402SS..Hα-helixtrans-94.9-11.1175.4-114.80000112.6F12 L16 P23 I28F12-V26 HydrophobicContact CD2-CG1 4Å; F12-V26 HydrophobicContact CE2-CG1 4.39Å; L16-V26 HydrophobicContact CD1-CG2 3.85Å; L16-V26 HydrophobicContact CD2-CB 4.43Å; L16-V26 HydrophobicContact CD2-CG1 4.36Å; L16-V26 HydrophobicContact CD2-CG2 3.27Å; L16-V26 HydrophobicContact CG-CG2 4.1Å; P23-V26 PolarHBondContact O-N 3.3Å; V26-I28 PolarHBondContact O-N 3.03Å
27E86.3Confident88.6Confident68 Ų6882.7 Ų82.732%0.31843%0.433SS..SBendtrans-68.5123.6177.9-160.8-170.9145.900109.6P23 P29 R451P23-E27 PolarHBondContact O-N 2.75Å; E27-P29 WeakPolarHBondContact O-CD 3.44Å; E27-R451 IonicContact OE1-CZ 3.96Å; E27-R451 IonicContact OE1-NE 3.56Å; E27-R451 IonicContact OE1-NH2 2.91Å; E27-R451 PolarHBondContact OE1-NH2 3.17Å; E27-R451 IonicContact OE2-CZ 2.71Å; E27-R451 IonicContact OE2-NH1 3Å; E27-R451 IonicContact OE2-NH2 2.88Å; E27-R451 PolarHBondContact OE2-NH2 3.16Å
28I89.8Confident88.5Confident46 Ų4680.5 Ų80.524%0.23642%0.422CS..  trans-72.8112.3-177.7-62.1171.5000108.7V26 R452 T455 E456 L460V26-I28 PolarHBondContact O-N 3.03Å; I28-R452 HydrophobicContact CD1-CG 4.13Å; I28-T455 HydrophobicContact CB-CG2 4.17Å; I28-T455 HydrophobicContact CG2-CG2 3.85Å; I28-E456 HydrophobicContact CD1-CG 3.41Å; I28-E456 VanDerWaalsContact CD1-CG 3.41Å; I28-E456 WeakPolarHBondContact CD1-OE1 3.35Å; I28-L460 HydrophobicContact CG2-CD1 4.08Å
29P90.1Very high88.3Confident107 Ų10779.6 Ų79.670%0.69541%0.413SS*.PPolyproline II helixtrans-69.8138.1-179.729.7-34000109.6E27 P31E27-P29 WeakPolarHBondContact O-CD 3.44Å; P29-P31 VanDerWaalsContact O-CD 3.29Å; P29-P31 WeakPolarHBondContact O-CD 3.44Å
30I93.1Very high88Confident34 Ų3482.7 Ų82.717%0.17442%0.417CS..PPolyproline II helixtrans-79120.8174.8-62.6170.1000108.8K32 F34 M422 T455 I459 E497I30-K32 PolarHBondContact O-N 3.09Å; I30-F34 HydrophobicContact CG2-CD2 4.28Å; I30-F34 HydrophobicContact CG2-CE2 4.36Å; I30-M422 HydrophobicContact CD1-CB 3.49Å; I30-M422 VanDerWaalsContact CD1-CB 3.49Å; I30-M422 HydrophobicContact CD1-CG 3.77Å; I30-T455 HydrophobicContact CG1-CG2 4.07Å; I30-I459 HydrophobicContact CD1-CD1 3.61Å; I30-I459 HydrophobicContact CD1-CG2 4.26Å; I30-I459 HydrophobicContact CG1-CD1 4.38Å; I30-I459 HydrophobicContact CG1-CG2 4.2Å; I30-I459 HydrophobicContact CG2-CG2 3.76Å; I30-E497 HydrophobicContact CD1-CB 4.38Å; I30-E497 HydrophobicContact CD1-CG 3.96Å; I30-E497 HydrophobicContact CG2-CB 4.23Å
31P92.2Very high88Confident40 Ų4076.6 Ų76.626%0.2640%0.402SS..PPolyproline II helixtrans-63.6120.5177.4-21.932.9000112P29 Y33 F34 L460P29-P31 VanDerWaalsContact O-CD 3.29Å; P29-P31 WeakPolarHBondContact O-CD 3.44Å; P31-Y33 HydrophobicContact CB-CD1 3.35Å; P31-Y33 HydrophobicContact CB-CE1 3.34Å; P31-Y33 HydrophobicContact CB-CG 4.49Å; P31-Y33 HydrophobicContact CG-CE1 4.1Å; P31-Y33 PolarHBondContact O-N 2.92Å; P31-F34 HydrophobicContact CB-CD1 4.24Å; P31-F34 HydrophobicContact CB-CE1 3.86Å; P31-F34 HydrophobicContact CB-CE2 4.21Å; P31-F34 HydrophobicContact CB-CZ 3.85Å; P31-F34 HydrophobicContact CG-CE1 4Å; P31-F34 HydrophobicContact CG-CE2 4.02Å; P31-F34 HydrophobicContact CG-CZ 3.56Å; P31-F34 WeakPolarHBondContact O-CD2 3.4Å; P31-F34 VanDerWaalsContact O-CG 3.32Å; P31-F34 WeakPolarHBondContact O-CG 3.42Å; P31-F34 PolarHBondContact O-N 2.91Å; P31-L460 HydrophobicContact CG-CD2 4.2Å
32K86.9Confident88Confident116 Ų11674.4 Ų74.450%0.50439%0.391SS..THydrogen-bonded Turntrans-68.9-17.4-178.5-60.8178.8-175.4165.80113.3I30 F34 V35 N36I30-K32 PolarHBondContact O-N 3.09Å; K32-F34 PolarHBondContact O-N 2.91Å; K32-V35 PolarHBondContact O-N 3.31Å; K32-N36 WeakPolarHBondContact O-CB 3.42Å; K32-N36 PolarHBondContact O-N 3.01Å; K32-N36 VanDerWaalsContact O-N 3.1Å; K32-N36 PolarHBondContact O-ND2 3.41Å
33Y88.1Confident88.2Confident94 Ų9477.4 Ų77.437%0.36939%0.394SS..Hα-helixtrans-64.4-26.8-178.980.9-97.3000112.7P31 V35 N36 E37 S464P31-Y33 HydrophobicContact CB-CD1 3.35Å; P31-Y33 HydrophobicContact CB-CE1 3.34Å; P31-Y33 HydrophobicContact CB-CG 4.49Å; P31-Y33 HydrophobicContact CG-CE1 4.1Å; P31-Y33 PolarHBondContact O-N 2.92Å; Y33-V35 PolarHBondContact O-N 3.3Å; Y33-V35 VanDerWaalsContact O-N 3.15Å; Y33-N36 PolarHBondContact O-N 3.24Å; Y33-E37 WeakPolarHBondContact CD2-OE2 3.2Å; Y33-E37 WeakPolarHBondContact O-CB 3.43Å; Y33-E37 PolarHBondContact O-N 3.41Å; Y33-S464 WeakPolarHBondContact OH-CB 3.3Å; Y33-S464 PolarHBondContact OH-OG 2.74Å
34F91.1Very high88.5Confident6 Ų680.9 Ų80.93%0.02641%0.411CS..Hα-helixtrans-49.8-43.4177.1-62-17.2000112.7I30 P31 K32 N38 I459 L460 G463I30-F34 HydrophobicContact CG2-CD2 4.28Å; I30-F34 HydrophobicContact CG2-CE2 4.36Å; P31-F34 HydrophobicContact CB-CD1 4.24Å; P31-F34 HydrophobicContact CB-CE1 3.86Å; P31-F34 HydrophobicContact CB-CE2 4.21Å; P31-F34 HydrophobicContact CB-CZ 3.85Å; P31-F34 HydrophobicContact CG-CE1 4Å; P31-F34 HydrophobicContact CG-CE2 4.02Å; P31-F34 HydrophobicContact CG-CZ 3.56Å; P31-F34 WeakPolarHBondContact O-CD2 3.4Å; P31-F34 VanDerWaalsContact O-CG 3.32Å; P31-F34 WeakPolarHBondContact O-CG 3.42Å; P31-F34 PolarHBondContact O-N 2.91Å; K32-F34 PolarHBondContact O-N 2.91Å; F34-N38 PolarHBondContact O-ND2 3.37Å; F34-I459 HydrophobicContact CD2-CG2 4.46Å; F34-I459 HydrophobicContact CE2-CG2 4.21Å; F34-L460 HydrophobicContact CE2-CD2 4.21Å; F34-L460 HydrophobicContact CZ-CD2 4Å; F34-G463 VanDerWaalsContact CD1-C 3.49Å; F34-G463 WeakPolarHBondContact CD1-O 3.37Å
35V89.6Confident88.8Confident41 Ų4179.3 Ų79.325%0.24839%0.391CS..Hα-helixtrans-95.1-40.7179.1178.30000111.3K32 Y33 N38 F39 L42 E497K32-V35 PolarHBondContact O-N 3.31Å; Y33-V35 PolarHBondContact O-N 3.3Å; Y33-V35 VanDerWaalsContact O-N 3.15Å; V35-N38 CarbonylContact O-C 3.55Å; V35-N38 PolarHBondContact O-N 2.64Å; V35-F39 WeakPolarHBondContact O-CA 3.22Å; V35-F39 PolarHBondContact O-N 2.68Å; V35-L42 HydrophobicContact CB-CD1 4.39Å; V35-L42 HydrophobicContact CG1-CD1 3.87Å; V35-E497 WeakPolarHBondContact CG2-O 3.44Å
36N86.4Confident89Confident73 Ų7377.7 Ų77.739%0.3938%0.381SS..Hα-helixtrans-65-44.4-172.5-68.7-16.3000112.7K32 Y33 N38 F39 R174K32-N36 WeakPolarHBondContact O-CB 3.42Å; K32-N36 PolarHBondContact O-N 3.01Å; K32-N36 VanDerWaalsContact O-N 3.1Å; K32-N36 PolarHBondContact O-ND2 3.41Å; Y33-N36 PolarHBondContact O-N 3.24Å; N36-N38 VanDerWaalsContact C-N 3.26Å; N36-N38 PolarHBondContact O-N 3.46Å; N36-F39 VanDerWaalsContact O-CB 3.25Å; N36-F39 WeakPolarHBondContact O-CB 3.46Å; N36-F39 PolarHBondContact O-N 3.35Å; N36-R174 PolarHBondContact ND2-NH1 3.09Å
37E85.2Confident89.4Confident146 Ų14680.5 Ų80.568%0.68239%0.391SS*.THydrogen-bonded Turntrans-66.5-32-179-68.7177.8-177.600111.6Y33Y33-E37 WeakPolarHBondContact CD2-OE2 3.2Å; Y33-E37 WeakPolarHBondContact O-CB 3.43Å; Y33-E37 PolarHBondContact O-N 3.41Å
38N86.5Confident89.6Confident75 Ų7580.9 Ų80.940%0.40139%0.391SS..THydrogen-bonded Turntrans-96.511.4179-65.7-47.6000113.4F34 V35 N36 R40 A41 L42F34-N38 PolarHBondContact O-ND2 3.37Å; V35-N38 CarbonylContact O-C 3.55Å; V35-N38 PolarHBondContact O-N 2.64Å; N36-N38 VanDerWaalsContact C-N 3.26Å; N36-N38 PolarHBondContact O-N 3.46Å; N38-R40 VanDerWaalsContact C-N 3.32Å; N38-R40 PolarHBondContact O-N 3.44Å; N38-A41 PolarHBondContact O-N 2.95Å; N38-L42 HydrophobicContact CB-CD1 4.15Å; N38-L42 HydrophobicContact CB-CG 4.19Å; N38-L42 VanDerWaalsContact O-CG 3.32Å; N38-L42 WeakPolarHBondContact O-CG 3.39Å; N38-L42 PolarHBondContact O-N 3.04Å
39F87.2Confident89.6Confident108 Ų10879.3 Ų79.347%0.47438%0.383SS..Hα-helixtrans-57.2-42.2-167.5177.3-99.2000113.2V35 N36 L42 R43V35-F39 WeakPolarHBondContact O-CA 3.22Å; V35-F39 PolarHBondContact O-N 2.68Å; N36-F39 VanDerWaalsContact O-CB 3.25Å; N36-F39 WeakPolarHBondContact O-CB 3.46Å; N36-F39 PolarHBondContact O-N 3.35Å; F39-L42 PolarHBondContact O-N 3.49Å; F39-R43 VanDerWaalsContact O-CB 3.3Å; F39-R43 WeakPolarHBondContact O-CB 3.18Å; F39-R43 PolarHBondContact O-N 2.87Å
40R87.7Confident89.6Confident177 Ų17777.1 Ų77.167%0.66837%0.366SS*.Hα-helixtrans-61.5-53.2178.3-68.6-176.4-177.3175.21.5111.3N38 L42 R43 D44N38-R40 VanDerWaalsContact C-N 3.32Å; N38-R40 PolarHBondContact O-N 3.44Å; R40-L42 VanDerWaalsContact C-N 3.3Å; R40-L42 PolarHBondContact O-N 2.94Å; R40-R43 PolarHBondContact O-N 2.9Å; R40-R43 VanDerWaalsContact O-N 3.14Å; R40-D44 VanDerWaalsContact O-CG 3.25Å; R40-D44 PolarHBondContact O-N 3.14Å
41A89.7Confident89.5Confident65 Ų6581.2 Ų81.254%0.53738%0.384SS..Hα-helixtrans-60.3-38.817900000112.6N38 R45N38-A41 PolarHBondContact O-N 2.95Å; A41-R45 WeakPolarHBondContact O-CB 3.34Å; A41-R45 PolarHBondContact O-N 3.07Å; A41-R45 VanDerWaalsContact O-N 3.1Å
42L91.2Very high89.4Confident31 Ų3179.7 Ų79.716%0.16237%0.374CS..Hα-helixtrans-65.8-42.3176.1-69.2174.3000111.9V35 N38 F39 R40 R45 E46 G499V35-L42 HydrophobicContact CB-CD1 4.39Å; V35-L42 HydrophobicContact CG1-CD1 3.87Å; N38-L42 HydrophobicContact CB-CD1 4.15Å; N38-L42 HydrophobicContact CB-CG 4.19Å; N38-L42 VanDerWaalsContact O-CG 3.32Å; N38-L42 WeakPolarHBondContact O-CG 3.39Å; N38-L42 PolarHBondContact O-N 3.04Å; F39-L42 PolarHBondContact O-N 3.49Å; R40-L42 VanDerWaalsContact C-N 3.3Å; R40-L42 PolarHBondContact O-N 2.94Å; L42-R45 VanDerWaalsContact CD2-NH2 3.3Å; L42-R45 PolarHBondContact O-N 2.86Å; L42-E46 WeakPolarHBondContact O-CB 2.99Å; L42-E46 PolarHBondContact O-N 2.95Å; L42-G499 VanDerWaalsContact CD2-O 3.26Å; L42-G499 WeakPolarHBondContact CD2-O 3.37Å
43R91.1Very high89.4Confident135 Ų13576.4 Ų76.451%0.50936%0.361SS..Hα-helixtrans-65.5-46.2178.4-174.4178.7-178.3172.11.5111.8F39 R40 R45 E46 Q47F39-R43 VanDerWaalsContact O-CB 3.3Å; F39-R43 WeakPolarHBondContact O-CB 3.18Å; F39-R43 PolarHBondContact O-N 2.87Å; R40-R43 PolarHBondContact O-N 2.9Å; R40-R43 VanDerWaalsContact O-N 3.14Å; R43-R45 VanDerWaalsContact C-N 3.28Å; R43-R45 PolarHBondContact O-N 2.89Å; R43-E46 PolarHBondContact O-N 3.24Å; R43-Q47 WeakPolarHBondContact O-CG 3.42Å; R43-Q47 PolarHBondContact O-N 3.22Å
44D91.6Very high89.3Confident99 Ų9975 Ų7553%0.52937%0.366SS..Hα-helixtrans-61.7-40.8178.6-63.3-18.1000110.7R40 Q47 F48R40-D44 VanDerWaalsContact O-CG 3.25Å; R40-D44 PolarHBondContact O-N 3.14Å; D44-Q47 PolarHBondContact O-N 2.74Å; D44-F48 WeakPolarHBondContact O-CB 3.27Å; D44-F48 PolarHBondContact O-N 3.2Å
45R90.1Very high88.8Confident57 Ų5777.6 Ų77.622%0.21538%0.384CS..Hα-helixtrans-66.5-41.2175-171.9-179.967.6178.97.7112.6A41 L42 R43 Q47 F48 L49 F405 G499 N501A41-R45 WeakPolarHBondContact O-CB 3.34Å; A41-R45 PolarHBondContact O-N 3.07Å; A41-R45 VanDerWaalsContact O-N 3.1Å; L42-R45 VanDerWaalsContact CD2-NH2 3.3Å; L42-R45 PolarHBondContact O-N 2.86Å; R43-R45 VanDerWaalsContact C-N 3.28Å; R43-R45 PolarHBondContact O-N 2.89Å; R45-Q47 VanDerWaalsContact C-N 3.35Å; R45-F48 PolarHBondContact O-N 3.18Å; R45-L49 WeakPolarHBondContact O-CB 3.28Å; R45-L49 PolarHBondContact O-N 3.14Å; R45-F405 HydrophobicContact CG-CZ 4.47Å; R45-G499 PolarHBondContact NH2-O 3.21Å; R45-N501 PolarHBondContact NE-OD1 3.45Å; R45-N501 PolarHBondContact NH1-ND2 2.92Å; R45-N501 PolarHBondContact NH1-OD1 2.65Å; R45-N501 VanDerWaalsContact NH1-OD1 3.09Å
46E90.8Very high87.8Confident65 Ų6578.1 Ų78.130%0.30439%0.388SS..Hα-helixtrans-62.5-43.4176.4-172.6173.5-167.300110.8L42 R43 L49 D50 K419L42-E46 WeakPolarHBondContact O-CB 2.99Å; L42-E46 PolarHBondContact O-N 2.95Å; R43-E46 PolarHBondContact O-N 3.24Å; E46-L49 PolarHBondContact O-N 3.46Å; E46-D50 WeakPolarHBondContact O-CB 3.27Å; E46-D50 PolarHBondContact O-N 3.17Å; E46-K419 VanDerWaalsContact OE1-CE 3.29Å; E46-K419 WeakPolarHBondContact OE1-CE 3.42Å; E46-K419 IonicContact OE1-NZ 2.67Å; E46-K419 PolarHBondContact OE1-NZ 2.86Å; E46-K419 IonicContact OE2-NZ 3.66Å; E46-K419 PolarHBondContact OE2-NZ 3.38Å
47Q92.4Very high86.5Confident107 Ų10781.1 Ų81.150%0.540%0.397SS..Hα-helixtrans-63.1-42.7174.8-72.3178.3-11.300112.4R43 D44 R45 D50 H51R43-Q47 WeakPolarHBondContact O-CG 3.42Å; R43-Q47 PolarHBondContact O-N 3.22Å; D44-Q47 PolarHBondContact O-N 2.74Å; R45-Q47 VanDerWaalsContact C-N 3.35Å; Q47-D50 PolarHBondContact O-N 3.33Å; Q47-H51 WeakPolarHBondContact O-CB 3.49Å; Q47-H51 PolarHBondContact O-N 2.77Å
48F90.8Very high84.9Confident76 Ų7679 Ų7933%0.33339%0.394SS..Hα-helixtrans-62.5-43.2176.5-177-115000112D44 R45 H51 L52 I402 F405D44-F48 WeakPolarHBondContact O-CB 3.27Å; D44-F48 PolarHBondContact O-N 3.2Å; R45-F48 PolarHBondContact O-N 3.18Å; F48-H51 PolarHBondContact O-N 3.03Å; F48-L52 HydrophobicContact CD1-CD1 4.06Å; F48-L52 HydrophobicContact CE1-CD1 3.58Å; F48-L52 HydrophobicContact CE1-CG 4.35Å; F48-L52 HydrophobicContact CE2-CD1 4.48Å; F48-L52 HydrophobicContact CE2-CG 4.43Å; F48-L52 HydrophobicContact CZ-CD1 3.8Å; F48-L52 HydrophobicContact CZ-CD2 4.38Å; F48-L52 HydrophobicContact CZ-CG 4.2Å; F48-L52 WeakPolarHBondContact O-CG 3.48Å; F48-L52 PolarHBondContact O-N 3.3Å; F48-I402 HydrophobicContact CE1-CG2 4.4Å; F48-I402 HydrophobicContact CZ-CG2 3.84Å; F48-F405 HydrophobicContact CD1-CD1 4.03Å; F48-F405 AromaticContact CD1-CE1 3.84Å; F48-F405 HydrophobicContact CD1-CE1 3.84Å; F48-F405 AromaticContact CE1-CD1 3.68Å; F48-F405 HydrophobicContact CE1-CD1 3.68Å; F48-F405 AromaticContact CE1-CE1 3.98Å; F48-F405 HydrophobicContact CE1-CE1 3.98Å
49L90.6Very high83.1Confident13 Ų1382 Ų827%0.06841%0.41CS..Hα-helixtrans-64.5-41.5176.2-176.7134000111.8R45 E46 H51 L52 L53 F405 V409 I414 K416R45-L49 WeakPolarHBondContact O-CB 3.28Å; R45-L49 PolarHBondContact O-N 3.14Å; E46-L49 PolarHBondContact O-N 3.46Å; L49-H51 VanDerWaalsContact C-N 3.34Å; L49-L52 PolarHBondContact O-N 3.02Å; L49-L53 HydrophobicContact CD2-CD1 3.58Å; L49-L53 HydrophobicContact CD2-CG 4.46Å; L49-L53 HydrophobicContact CG-CD1 4.21Å; L49-L53 WeakPolarHBondContact O-CG 3.07Å; L49-L53 PolarHBondContact O-N 3.36Å; L49-F405 HydrophobicContact CD1-CZ 4.12Å; L49-V409 HydrophobicContact CD1-CG2 4.26Å; L49-I414 HydrophobicContact CD1-CG2 3.76Å; L49-K416 HydrophobicContact CD2-CB 3.77Å; L49-K416 HydrophobicContact CD2-CD 4.29Å; L49-K416 HydrophobicContact CD2-CG 3.97Å
50D90.1Very high81.2Confident61 Ų6184.3 Ų84.333%0.32642%0.423SS..Hα-helixtrans-63.8-39.9175.7-79.7-14.3000112.2E46 Q47 L53 S54 K416E46-D50 WeakPolarHBondContact O-CB 3.27Å; E46-D50 PolarHBondContact O-N 3.17Å; Q47-D50 PolarHBondContact O-N 3.33Å; D50-L53 PolarHBondContact O-N 2.99Å; D50-S54 VanDerWaalsContact O-CB 3.32Å; D50-S54 WeakPolarHBondContact O-CB 3.48Å; D50-S54 PolarHBondContact O-N 3.16Å; D50-S54 PolarHBondContact O-OG 2.95Å; D50-K416 WeakPolarHBondContact OD1-CD 3.17Å; D50-K416 WeakPolarHBondContact OD1-CE 3.44Å; D50-K416 IonicContact OD1-NZ 2.77Å; D50-K416 PolarHBondContact OD1-NZ 3.07Å; D50-K416 IonicContact OD2-NZ 3.68Å; D50-K416 PolarHBondContact OD2-NZ 2.85Å
51H91.1Very high79Confident121 Ų12181.3 Ų81.356%0.5642%0.424SS*.Hα-helixtrans-59.9-49.6173.9-177.7-81.8000111.5Q47 F48 L49 L53 S54 S55Q47-H51 WeakPolarHBondContact O-CB 3.49Å; Q47-H51 PolarHBondContact O-N 2.77Å; F48-H51 PolarHBondContact O-N 3.03Å; L49-H51 VanDerWaalsContact C-N 3.34Å; H51-L53 VanDerWaalsContact C-N 3.34Å; H51-L53 PolarHBondContact O-N 2.83Å; H51-S54 PolarHBondContact O-N 3.24Å; H51-S54 PolarHBondContact O-OG 3.05Å; H51-S55 PolarHBondContact O-N 3.45Å; H51-S55 VanDerWaalsContact O-N 3.15Å
52L89Confident76.8Confident7 Ų786.7 Ų86.74%0.03744%0.436CS..Hα-helixtrans-62.3-36.3178.1-70.5177.6000113.7F48 L49 S55 T56 F405 E406 V409F48-L52 HydrophobicContact CD1-CD1 4.06Å; F48-L52 HydrophobicContact CE1-CD1 3.58Å; F48-L52 HydrophobicContact CE1-CG 4.35Å; F48-L52 HydrophobicContact CE2-CD1 4.48Å; F48-L52 HydrophobicContact CE2-CG 4.43Å; F48-L52 HydrophobicContact CZ-CD1 3.8Å; F48-L52 HydrophobicContact CZ-CD2 4.38Å; F48-L52 HydrophobicContact CZ-CG 4.2Å; F48-L52 WeakPolarHBondContact O-CG 3.48Å; F48-L52 PolarHBondContact O-N 3.3Å; L49-L52 PolarHBondContact O-N 3.02Å; L52-S55 PolarHBondContact O-OG 3.42Å; L52-T56 PolarHBondContact O-OG1 2.93Å; L52-F405 HydrophobicContact CD1-CD1 4.2Å; L52-F405 HydrophobicContact CD1-CE1 4.27Å; L52-E406 HydrophobicContact CD1-CB 4.27Å; L52-E406 HydrophobicContact CD1-CG 4.38Å; L52-E406 HydrophobicContact CD2-CG 3.84Å; L52-V409 HydrophobicContact CB-CG1 3.93Å; L52-V409 HydrophobicContact CD1-CB 4.23Å; L52-V409 HydrophobicContact CD1-CG1 4.24Å; L52-V409 HydrophobicContact CD1-CG2 4.25Å
53L87.1Confident74.6Confident47 Ų4792.6 Ų92.625%0.24647%0.467CS..Hα-helixtrans-75.4-30176.6-70175.1000112.2L49 D50 H51 T56 K57 V409 K416L49-L53 HydrophobicContact CD2-CD1 3.58Å; L49-L53 HydrophobicContact CD2-CG 4.46Å; L49-L53 HydrophobicContact CG-CD1 4.21Å; L49-L53 WeakPolarHBondContact O-CG 3.07Å; L49-L53 PolarHBondContact O-N 3.36Å; D50-L53 PolarHBondContact O-N 2.99Å; H51-L53 VanDerWaalsContact C-N 3.34Å; H51-L53 PolarHBondContact O-N 2.83Å; L53-T56 WeakPolarHBondContact CA-OG1 3.48Å; L53-T56 PolarHBondContact O-OG1 3.37Å; L53-K57 WeakPolarHBondContact O-CG 3.34Å; L53-K57 PolarHBondContact O-N 3.19Å; L53-V409 HydrophobicContact CD2-CG1 3.97Å; L53-V409 HydrophobicContact CG-CG1 4.24Å; L53-K416 HydrophobicContact CD1-CB 4.18Å
54S86Confident72.4Confident66 Ų6695 Ų9546%0.46249%0.485SS..Hα-helixtrans-70.6-36.9177.470.70000112.5D50 H51 T56 K57D50-S54 VanDerWaalsContact O-CB 3.32Å; D50-S54 WeakPolarHBondContact O-CB 3.48Å; D50-S54 PolarHBondContact O-N 3.16Å; D50-S54 PolarHBondContact O-OG 2.95Å; H51-S54 PolarHBondContact O-N 3.24Å; H51-S54 PolarHBondContact O-OG 3.05Å; S54-T56 VanDerWaalsContact C-N 3.27Å; S54-T56 PolarHBondContact O-N 2.95Å; S54-K57 PolarHBondContact O-N 3.3Å
55S79.8Confident70.3Confident60 Ų6093.2 Ų93.242%0.4249%0.489SS..Hα-helixtrans-69.7-22.917859.70000113.8H51 L52 T58H51-S55 PolarHBondContact O-N 3.45Å; H51-S55 VanDerWaalsContact O-N 3.15Å; L52-S55 PolarHBondContact O-OG 3.42Å; S55-T58 PolarHBondContact O-OG1 3.35Å
56T68.9Low68.7Low52 Ų5297.2 Ų97.232%0.31951%0.513SS..Hα-helixtrans-84-36.1174.3240000112.2L52 L53 S54 T58 D59 L410L52-T56 PolarHBondContact O-OG1 2.93Å; L53-T56 WeakPolarHBondContact CA-OG1 3.48Å; L53-T56 PolarHBondContact O-OG1 3.37Å; S54-T56 VanDerWaalsContact C-N 3.27Å; S54-T56 PolarHBondContact O-N 2.95Å; T56-T58 VanDerWaalsContact C-N 3.26Å; T56-T58 PolarHBondContact O-N 2.66Å; T56-D59 PolarHBondContact O-N 2.76Å; T56-L410 HydrophobicContact CG2-CD2 3.33Å
57K60.5Low67.3Low135 Ų13599.9 Ų99.959%0.58754%0.539SS*.Hα-helixtrans-65.8-24-179.5-79.1-179.1179.3-172.40114.4L53 S54 D59 E60 T61L53-K57 WeakPolarHBondContact O-CG 3.34Å; L53-K57 PolarHBondContact O-N 3.19Å; S54-K57 PolarHBondContact O-N 3.3Å; K57-D59 PolarHBondContact O-N 3.25Å; K57-D59 VanDerWaalsContact O-N 3.13Å; K57-E60 PolarHBondContact O-N 3.41Å; K57-E60 VanDerWaalsContact O-N 3.1Å; K57-T61 PolarHBondContact O-N 3.39Å
58T51.6Low66.3Low102 Ų10299 Ų9963%0.62654%0.536SS*.Hα-helixtrans-59.2-21175.726.10000113.7S55 T56S55-T58 PolarHBondContact O-OG1 3.35Å; T56-T58 VanDerWaalsContact C-N 3.26Å; T56-T58 PolarHBondContact O-N 2.66Å
59D47.7Very low65.9Low137 Ų13798.1 Ų98.173%0.73354%0.539SS*.Hα-helixtrans-94-20.6175.8-72.5-29.1000113.7T56 K57T56-D59 PolarHBondContact O-N 2.76Å; K57-D59 PolarHBondContact O-N 3.25Å; K57-D59 VanDerWaalsContact O-N 3.13Å
60E47.3Very low65.6Low157 Ų157103 Ų10373%0.73457%0.569SS**Hα-helixtrans-92.6-9.9-177.8-70.5-172.3167.200113.9K57 K62K57-E60 PolarHBondContact O-N 3.41Å; K57-E60 VanDerWaalsContact O-N 3.1Å; E60-K62 PolarHBondContact O-N 3.19Å
61T42.5Very low65.5Low115 Ų115105.8 Ų105.871%0.70658%0.584SS**  trans-7638.5168.658.30000112.6K57 D63K57-T61 PolarHBondContact O-N 3.39Å; T61-D63 VanDerWaalsContact C-N 3.26Å; T61-D63 PolarHBondContact O-N 3.5Å
62K43.7Very low65Low178 Ų178105.5 Ų105.577%0.77458%0.583SS**SBendtrans-74.898.3144.6-74.5-178.7-177.9173.50104E60 E64E60-K62 PolarHBondContact O-N 3.19Å; K62-E64 PolarHBondContact O-N 3.4Å
63D43.5Very low64.7Low154 Ų154106.4 Ų106.482%0.82459%0.592SS**  trans-34.5109.6163.9-92.2-36.6000107.2T61 G65T61-D63 VanDerWaalsContact C-N 3.26Å; T61-D63 PolarHBondContact O-N 3.5Å; D63-G65 PolarHBondContact O-N 2.94Å
64E45.2Very low64.7Low187 Ų187107.2 Ų107.287%0.87460%0.598SS**  trans-61.287.4159.5-73.5-172.7167.900103.6K62 I66K62-E64 PolarHBondContact O-N 3.4Å; E64-I66 PolarHBondContact O-N 3.14Å
65G48.5Very low64.7Low60 Ų60108.9 Ų108.962%0.61960%0.602SS**  trans-51.6113179.700000105.3D63 S67D63-G65 PolarHBondContact O-N 2.94Å; G65-S67 VanDerWaalsContact C-N 3.32Å; G65-S67 PolarHBondContact O-N 3.3Å
66I56.5Low64.9Low142 Ų142110.2 Ų110.273%0.72860%0.604SS**  trans-50.5105-176-63.8165.1000105.8E64 M68E64-I66 PolarHBondContact O-N 3.14Å; I66-M68 HydrophobicContact CB-CE 4.5Å; I66-M68 HydrophobicContact CG2-CB 4.48Å; I66-M68 HydrophobicContact CG2-CE 3.99Å; I66-M68 PolarHBondContact O-N 3.44Å
67S61.1Low65.9Low121 Ų121113.3 Ų113.385%0.84662%0.617SS**  trans-72.274.1179.9158.10000107.1G65G65-S67 VanDerWaalsContact C-N 3.32Å; G65-S67 PolarHBondContact O-N 3.3Å
68M70.9Confident67.2Low88 Ų88111.5 Ų111.543%0.43361%0.61SS.*  trans-84.9129.7169.265.4179.36600108.2I66 Q72 A73I66-M68 HydrophobicContact CB-CE 4.5Å; I66-M68 HydrophobicContact CG2-CB 4.48Å; I66-M68 HydrophobicContact CG2-CE 3.99Å; I66-M68 PolarHBondContact O-N 3.44Å; M68-Q72 HydrophobicContact CB-CB 4.35Å; M68-A73 HydrophobicContact CG-CB 4.22Å; M68-A73 HydrophobicContact SD-CB 3.78Å
69S83.1Confident68.7Low58 Ų58115.7 Ų115.741%0.40662%0.615SS.*  trans-60.6153171.3660000110.1D71 Q72 A73S69-D71 PolarHBondContact O-N 3.44Å; S69-Q72 WeakPolarHBondContact O-CB 3.24Å; S69-Q72 PolarHBondContact O-N 3.42Å; S69-Q72 WeakPolarHBondContact OG-CG 3.19Å; S69-Q72 PolarHBondContact OG-N 3.03Å; S69-A73 PolarHBondContact O-N 2.85Å
70V84.4Confident70.6Confident115 Ų115114.9 Ų114.970%0.69761%0.606SS**Hα-helixtrans-53.1-39.3176.4177.50000110.7Q72 A73 V74V70-Q72 PolarHBondContact O-N 3Å; V70-A73 WeakPolarHBondContact O-CB 3.21Å; V70-A73 PolarHBondContact O-N 3.12Å; V70-V74 HydrophobicContact CG1-CG2 4.35Å; V70-V74 VanDerWaalsContact O-CG2 3.3Å; V70-V74 WeakPolarHBondContact O-CG2 3.46Å; V70-V74 PolarHBondContact O-N 2.86Å
71D86.1Confident72.7Confident119 Ų119110.6 Ų110.664%0.63659%0.586SS**Hα-helixtrans-64.3-41.4177.6-65.6-27.1000112.7S69 A73 V74 L75S69-D71 PolarHBondContact O-N 3.44Å; D71-A73 VanDerWaalsContact C-N 3.35Å; D71-V74 PolarHBondContact O-N 2.95Å; D71-L75 WeakPolarHBondContact O-CB 3.4Å; D71-L75 WeakPolarHBondContact O-CG 3.42Å; D71-L75 PolarHBondContact O-N 2.84Å
72Q81.1Confident75Confident116 Ų116112.9 Ų112.954%0.54258%0.582SS.*Hα-helixtrans-64.1-40.7173.9-80.1178-15.500111.6M68 S69 V70 L75 L76M68-Q72 HydrophobicContact CB-CB 4.35Å; S69-Q72 WeakPolarHBondContact O-CB 3.24Å; S69-Q72 PolarHBondContact O-N 3.42Å; S69-Q72 WeakPolarHBondContact OG-CG 3.19Å; S69-Q72 PolarHBondContact OG-N 3.03Å; V70-Q72 PolarHBondContact O-N 3Å; Q72-L75 PolarHBondContact O-N 3.14Å; Q72-L76 WeakPolarHBondContact O-CB 3.42Å; Q72-L76 PolarHBondContact O-N 2.87Å
73A83.9Confident76.8Confident26 Ų26106.5 Ų106.522%0.21556%0.562CS.*Hα-helixtrans-63.4-44.9176.100000111.6M68 S69 V70 D71 L76 I77M68-A73 HydrophobicContact CG-CB 4.22Å; M68-A73 HydrophobicContact SD-CB 3.78Å; S69-A73 PolarHBondContact O-N 2.85Å; V70-A73 WeakPolarHBondContact O-CB 3.21Å; V70-A73 PolarHBondContact O-N 3.12Å; D71-A73 VanDerWaalsContact C-N 3.35Å; A73-L76 WeakPolarHBondContact O-CB 3.25Å; A73-L76 PolarHBondContact O-N 3.3Å; A73-I77 VanDerWaalsContact O-CG1 3.31Å; A73-I77 WeakPolarHBondContact O-CG1 3.29Å; A73-I77 PolarHBondContact O-N 3.33Å
74V87.2Confident79.1Confident63 Ų63105.3 Ų105.338%0.38255%0.546SS..Hα-helixtrans-61.7-46.6176.5170.60000111.1V70 D71 L76 I77 Q78V70-V74 HydrophobicContact CG1-CG2 4.35Å; V70-V74 VanDerWaalsContact O-CG2 3.3Å; V70-V74 WeakPolarHBondContact O-CG2 3.46Å; V70-V74 PolarHBondContact O-N 2.86Å; D71-V74 PolarHBondContact O-N 2.95Å; V74-L76 VanDerWaalsContact C-N 3.29Å; V74-L76 PolarHBondContact O-N 3.08Å; V74-I77 PolarHBondContact O-N 3.26Å; V74-Q78 HydrophobicContact CG1-CG 4.33Å; V74-Q78 WeakPolarHBondContact O-CB 3.47Å; V74-Q78 VanDerWaalsContact O-CG 3.32Å; V74-Q78 WeakPolarHBondContact O-CG 3.34Å; V74-Q78 PolarHBondContact O-N 3.47Å
75L85.2Confident81.3Confident102 Ų102100.6 Ų100.653%0.53452%0.524SS..Hα-helixtrans-59-41.7176.4-84.1164.7000111.8D71 Q72 R79D71-L75 WeakPolarHBondContact O-CB 3.4Å; D71-L75 WeakPolarHBondContact O-CG 3.42Å; D71-L75 PolarHBondContact O-N 2.84Å; Q72-L75 PolarHBondContact O-N 3.14Å; L75-R79 WeakPolarHBondContact O-CB 3.38Å; L75-R79 PolarHBondContact O-N 3.2Å
76L84.3Confident83.2Confident88 Ų8899.6 Ų99.646%0.46151%0.514SS..Hα-helixtrans-60.9-52.6176.5-161.584.8000110.3Q72 A73 V74 Q78 R79 H80Q72-L76 WeakPolarHBondContact O-CB 3.42Å; Q72-L76 PolarHBondContact O-N 2.87Å; A73-L76 WeakPolarHBondContact O-CB 3.25Å; A73-L76 PolarHBondContact O-N 3.3Å; V74-L76 VanDerWaalsContact C-N 3.29Å; V74-L76 PolarHBondContact O-N 3.08Å; L76-Q78 PolarHBondContact O-N 3.32Å; L76-R79 WeakPolarHBondContact O-CB 3.42Å; L76-R79 PolarHBondContact O-N 2.99Å; L76-H80 PolarHBondContact O-CD2 2.7Å; L76-H80 VanDerWaalsContact O-CD2 3.23Å; L76-H80 PolarHBondContact O-N 3.41Å
77I88.9Confident84.7Confident116 Ų116100 Ų10060%0.59551%0.506SS*.Hα-helixtrans-57.2-47.8179.1-68.6167.2000110.7A73 V74 R79 H80 E81A73-I77 VanDerWaalsContact O-CG1 3.31Å; A73-I77 WeakPolarHBondContact O-CG1 3.29Å; A73-I77 PolarHBondContact O-N 3.33Å; V74-I77 PolarHBondContact O-N 3.26Å; I77-R79 VanDerWaalsContact C-N 3.26Å; I77-R79 PolarHBondContact O-N 3.23Å; I77-H80 PolarHBondContact O-N 3.15Å; I77-E81 PolarHBondContact O-N 2.79Å
78Q88.6Confident86.1Confident97 Ų9798.7 Ų98.745%0.45349%0.489SS..Hα-helixtrans-61.3-33.7177.5-72.5179.70.300112.7V74 L76 R82V74-Q78 HydrophobicContact CG1-CG 4.33Å; V74-Q78 WeakPolarHBondContact O-CB 3.47Å; V74-Q78 VanDerWaalsContact O-CG 3.32Å; V74-Q78 WeakPolarHBondContact O-CG 3.34Å; V74-Q78 PolarHBondContact O-N 3.47Å; L76-Q78 PolarHBondContact O-N 3.32Å; Q78-R82 WeakPolarHBondContact O-CB 3.29Å; Q78-R82 WeakPolarHBondContact O-CG 3.13Å; Q78-R82 PolarHBondContact O-N 3.48Å; Q78-R82 PolarHBondContact O-NE 2.89Å
79R83.6Confident87Confident190 Ų190102.7 Ų102.772%0.71750%0.499SS*.Hα-helixtrans-68.5-43.6175.9-146.5179.4-152.7179.67.5111L75 L76 I77 A83L75-R79 WeakPolarHBondContact O-CB 3.38Å; L75-R79 PolarHBondContact O-N 3.2Å; L76-R79 WeakPolarHBondContact O-CB 3.42Å; L76-R79 PolarHBondContact O-N 2.99Å; I77-R79 VanDerWaalsContact C-N 3.26Å; I77-R79 PolarHBondContact O-N 3.23Å; R79-A83 WeakPolarHBondContact O-CB 3.49Å; R79-A83 PolarHBondContact O-N 3.41Å
80H86Confident87.1Confident120 Ų120102.9 Ų102.956%0.55650%0.504SS*.Hα-helixtrans-66.2-39.2176.3-79.6-84.3000112.3L76 I77 A83 R84L76-H80 PolarHBondContact O-CD2 2.7Å; L76-H80 VanDerWaalsContact O-CD2 3.23Å; L76-H80 PolarHBondContact O-N 3.41Å; I77-H80 PolarHBondContact O-N 3.15Å; H80-A83 PolarHBondContact O-N 3.5Å; H80-R84 PolarHBondContact O-N 3.21Å
81E92.3Very high87.3Confident68 Ų68107 Ų10732%0.31851%0.507SS..Hα-helixtrans-67.7-43.8177.5-177.253.3-152.700111.7I77 A83 R84 Q85I77-E81 PolarHBondContact O-N 2.79Å; E81-A83 VanDerWaalsContact C-N 3.3Å; E81-A83 PolarHBondContact O-N 2.82Å; E81-R84 WeakPolarHBondContact O-CB 3.49Å; E81-R84 PolarHBondContact O-N 3.39Å; E81-R84 VanDerWaalsContact O-N 3.15Å; E81-R84 IonicContact OE1-NH1 3.07Å; E81-R84 PolarHBondContact OE1-NH1 3.08Å; E81-R84 IonicContact OE2-CZ 3.89Å; E81-R84 IonicContact OE2-NH1 2.87Å; E81-R84 PolarHBondContact OE2-NH1 3.28Å; E81-Q85 PolarHBondContact O-N 3.04Å; E81-Q85 PolarHBondContact OE1-NE2 2.95Å
82R89.8Confident87.5Confident163 Ų163107.6 Ų107.662%0.61550%0.504SS*.Hα-helixtrans-58.2-42.3171.7-78.4-175.7-77.4-161.7-4.4112.1Q78 Q85 G86Q78-R82 WeakPolarHBondContact O-CB 3.29Å; Q78-R82 WeakPolarHBondContact O-CG 3.13Å; Q78-R82 PolarHBondContact O-N 3.48Å; Q78-R82 PolarHBondContact O-NE 2.89Å; R82-Q85 PolarHBondContact O-N 3.29Å; R82-G86 PolarHBondContact O-N 3.48Å
83A82.2Confident87.8Confident43 Ų43106.8 Ų106.836%0.35550%0.502SS..Hα-helixtrans-64.3-39.8176.700000112.2R79 H80 E81 G86 R87R79-A83 WeakPolarHBondContact O-CB 3.49Å; R79-A83 PolarHBondContact O-N 3.41Å; H80-A83 PolarHBondContact O-N 3.5Å; E81-A83 VanDerWaalsContact C-N 3.3Å; E81-A83 PolarHBondContact O-N 2.82Å; A83-G86 PolarHBondContact O-N 3.32Å; A83-R87 WeakPolarHBondContact O-CG 3.31Å; A83-R87 PolarHBondContact O-N 2.87Å
84R92.3Very high87.9Confident129 Ų129113.3 Ų113.349%0.48753%0.525SS..Hα-helixtrans-62.2-49.8174.9177.4-175.3155-130.7-0.2111.2H80 E81 G86 R87 I88H80-R84 PolarHBondContact O-N 3.21Å; E81-R84 WeakPolarHBondContact O-CB 3.49Å; E81-R84 PolarHBondContact O-N 3.39Å; E81-R84 VanDerWaalsContact O-N 3.15Å; E81-R84 IonicContact OE1-NH1 3.07Å; E81-R84 PolarHBondContact OE1-NH1 3.08Å; E81-R84 IonicContact OE2-CZ 3.89Å; E81-R84 IonicContact OE2-NH1 2.87Å; E81-R84 PolarHBondContact OE2-NH1 3.28Å; R84-G86 VanDerWaalsContact C-N 3.3Å; R84-G86 PolarHBondContact O-N 3.4Å; R84-R87 WeakPolarHBondContact O-CB 3.43Å; R84-R87 PolarHBondContact O-N 3.45Å; R84-R87 VanDerWaalsContact O-N 3.14Å; R84-I88 HydrophobicContact CG-CD1 4.24Å; R84-I88 PolarHBondContact O-N 3.06Å
85Q91.6Very high87.9Confident89 Ų89114.4 Ų114.442%0.41653%0.526SS..Hα-helixtrans-60.8-40.4177.2-68.4-1589.500112.2E81 R82 R87 I88 R89E81-Q85 PolarHBondContact O-N 3.04Å; E81-Q85 PolarHBondContact OE1-NE2 2.95Å; R82-Q85 PolarHBondContact O-N 3.29Å; Q85-R87 VanDerWaalsContact C-N 3.33Å; Q85-R87 PolarHBondContact O-N 3.35Å; Q85-I88 PolarHBondContact O-N 3.3Å; Q85-R89 WeakPolarHBondContact O-CG 3.15Å; Q85-R89 PolarHBondContact O-N 2.83Å
86G88.7Confident87.9Confident39 Ų39112.2 Ų112.240%0.40251%0.514SS..Hα-helixtrans-57.6-42.7173.700000112.9R82 A83 R84 A90R82-G86 PolarHBondContact O-N 3.48Å; A83-G86 PolarHBondContact O-N 3.32Å; R84-G86 VanDerWaalsContact C-N 3.3Å; R84-G86 PolarHBondContact O-N 3.4Å; G86-A90 VanDerWaalsContact O-CB 3.32Å; G86-A90 WeakPolarHBondContact O-CB 3.46Å; G86-A90 PolarHBondContact O-N 3.18Å
87R87Confident87.7Confident150 Ų150116.8 Ų116.857%0.56653%0.526SS*.Hα-helixtrans-64.7-40.3175.6-72.2-172.6-66.4-96.24.1112.6A83 R84 Q85 A90 R91A83-R87 WeakPolarHBondContact O-CG 3.31Å; A83-R87 PolarHBondContact O-N 2.87Å; R84-R87 WeakPolarHBondContact O-CB 3.43Å; R84-R87 PolarHBondContact O-N 3.45Å; R84-R87 VanDerWaalsContact O-N 3.14Å; Q85-R87 VanDerWaalsContact C-N 3.33Å; Q85-R87 PolarHBondContact O-N 3.35Å; R87-A90 PolarHBondContact O-N 2.54Å; R87-R91 PolarHBondContact O-N 2.87Å
88I89.9Confident87.4Confident94 Ų94119 Ų11948%0.48253%0.527SS..Hα-helixtrans-64.2-50177.9-67.5171000110.2R84 Q85 A90 R91 F92R84-I88 HydrophobicContact CG-CD1 4.24Å; R84-I88 PolarHBondContact O-N 3.06Å; Q85-I88 PolarHBondContact O-N 3.3Å; I88-A90 VanDerWaalsContact C-N 3.33Å; I88-A90 PolarHBondContact O-N 3.42Å; I88-R91 PolarHBondContact O-N 3.29Å; I88-F92 PolarHBondContact O-N 2.89Å
89R90.1Very high87Confident171 Ų171119 Ų11965%0.64553%0.529SS*.Hα-helixtrans-60.2-41.5177.6-69.1-178.5-171.6176.93.9112.2Q85 R91 F92 M93Q85-R89 WeakPolarHBondContact O-CG 3.15Å; Q85-R89 PolarHBondContact O-N 2.83Å; R89-R91 PolarHBondContact O-N 2.87Å; R89-F92 PolarHBondContact O-N 3.5Å; R89-M93 WeakPolarHBondContact O-CB 3.37Å; R89-M93 WeakPolarHBondContact O-CG 3.36Å; R89-M93 PolarHBondContact O-N 2.83Å
90A86.9Confident86.9Confident62 Ų62114.4 Ų114.451%0.51252%0.516SS..Hα-helixtrans-63.1-39.4177.300000112.7G86 R87 I88 K94G86-A90 VanDerWaalsContact O-CB 3.32Å; G86-A90 WeakPolarHBondContact O-CB 3.46Å; G86-A90 PolarHBondContact O-N 3.18Å; R87-A90 PolarHBondContact O-N 2.54Å; I88-A90 VanDerWaalsContact C-N 3.33Å; I88-A90 PolarHBondContact O-N 3.42Å; A90-K94 WeakPolarHBondContact O-CB 3.32Å; A90-K94 PolarHBondContact O-N 3.42Å
91R88.2Confident86.4Confident202 Ų202110.2 Ų110.276%0.76251%0.505SS*.Hα-helixtrans-62.9-48.1172.5-81-172.5-170.6168.92111.4R87 I88 R89 M93 K94 E95R87-R91 PolarHBondContact O-N 2.87Å; I88-R91 PolarHBondContact O-N 3.29Å; R89-R91 PolarHBondContact O-N 2.87Å; R91-M93 PolarHBondContact O-N 3.14Å; R91-K94 WeakPolarHBondContact O-CB 3.43Å; R91-K94 PolarHBondContact O-N 3.34Å; R91-K94 VanDerWaalsContact O-N 3.14Å; R91-E95 PolarHBondContact O-N 3.47Å
92F90.2Very high85.3Confident131 Ų131110.3 Ų110.358%0.57551%0.513SS*.Hα-helixtrans-59.3-45.8179.5-173.7-104.6000112I88 R89 K94 E95 I96I88-F92 PolarHBondContact O-N 2.89Å; R89-F92 PolarHBondContact O-N 3.5Å; F92-K94 VanDerWaalsContact C-N 3.32Å; F92-K94 PolarHBondContact O-N 2.93Å; F92-E95 VanDerWaalsContact O-CB 3.32Å; F92-E95 WeakPolarHBondContact O-CB 3.28Å; F92-E95 PolarHBondContact O-N 3.42Å; F92-E95 VanDerWaalsContact O-N 3.15Å; F92-I96 HydrophobicContact CD1-CD1 3.84Å; F92-I96 HydrophobicContact CE1-CD1 3.44Å; F92-I96 VanDerWaalsContact CE1-CD1 3.44Å; F92-I96 HydrophobicContact CE1-CG1 4.34Å; F92-I96 HydrophobicContact CZ-CD1 4.04Å; F92-I96 PolarHBondContact O-N 3.11Å
93M87.3Confident84.4Confident100 Ų100108.8 Ų108.849%0.49351%0.513SS..Hα-helixtrans-65.4-32.8176.2-71.7-69.2147.700113.1R89 R91 E95 I96 R97R89-M93 WeakPolarHBondContact O-CB 3.37Å; R89-M93 WeakPolarHBondContact O-CG 3.36Å; R89-M93 PolarHBondContact O-N 2.83Å; R91-M93 PolarHBondContact O-N 3.14Å; M93-E95 VanDerWaalsContact C-N 3.34Å; M93-I96 HydrophobicContact CE-CD1 4.19Å; M93-I96 HydrophobicContact SD-CD1 4.33Å; M93-R97 PolarHBondContact O-N 3.44Å; M93-R97 VanDerWaalsContact O-N 3.09Å
94K85.4Confident83.7Confident162 Ų162114.3 Ų114.370%0.70453%0.529SS*.Hα-helixtrans-66.8-38173.5-170.9-178.5-180-173.70111.3A90 R91 F92 R98A90-K94 WeakPolarHBondContact O-CB 3.32Å; A90-K94 PolarHBondContact O-N 3.42Å; R91-K94 WeakPolarHBondContact O-CB 3.43Å; R91-K94 PolarHBondContact O-N 3.34Å; R91-K94 VanDerWaalsContact O-N 3.14Å; F92-K94 VanDerWaalsContact C-N 3.32Å; F92-K94 PolarHBondContact O-N 2.93Å; K94-R98 WeakPolarHBondContact O-CB 3.3Å; K94-R98 PolarHBondContact O-N 3.11Å
95E86.3Confident82.2Confident86 Ų86111.9 Ų111.940%0.40253%0.532SS..Hα-helixtrans-63-47.6175.3-159.366.8-137.500110.9R91 F92 M93 R97 R98 L99R91-E95 PolarHBondContact O-N 3.47Å; F92-E95 VanDerWaalsContact O-CB 3.32Å; F92-E95 WeakPolarHBondContact O-CB 3.28Å; F92-E95 PolarHBondContact O-N 3.42Å; F92-E95 VanDerWaalsContact O-N 3.15Å; M93-E95 VanDerWaalsContact C-N 3.34Å; E95-R97 PolarHBondContact O-N 3.44Å; E95-R98 WeakPolarHBondContact O-CB 3.4Å; E95-R98 PolarHBondContact O-N 2.95Å; E95-R98 VanDerWaalsContact O-N 3.09Å; E95-R98 IonicContact OE1-CZ 3.28Å; E95-R98 VanDerWaalsContact OE1-CZ 3.28Å; E95-R98 IonicContact OE1-NE 3.18Å; E95-R98 PolarHBondContact OE1-NE 2.98Å; E95-R98 IonicContact OE1-NH2 2.68Å; E95-R98 PolarHBondContact OE1-NH2 2.85Å; E95-L99 WeakPolarHBondContact O-CG 3.41Å; E95-L99 PolarHBondContact O-N 3.42Å
96I86Confident80.7Confident56 Ų56118.1 Ų118.129%0.28755%0.551SS.*Hα-helixtrans-57.1-50.6176.3-68.5173.5000110.9F92 M93 R98 L99 E100F92-I96 HydrophobicContact CD1-CD1 3.84Å; F92-I96 HydrophobicContact CE1-CD1 3.44Å; F92-I96 VanDerWaalsContact CE1-CD1 3.44Å; F92-I96 HydrophobicContact CE1-CG1 4.34Å; F92-I96 HydrophobicContact CZ-CD1 4.04Å; F92-I96 PolarHBondContact O-N 3.11Å; M93-I96 HydrophobicContact CE-CD1 4.19Å; M93-I96 HydrophobicContact SD-CD1 4.33Å; I96-R98 PolarHBondContact O-N 3.4Å; I96-L99 WeakPolarHBondContact O-CB 3.41Å; I96-L99 PolarHBondContact O-N 2.96Å; I96-E100 HydrophobicContact CG2-CG 4.24Å; I96-E100 WeakPolarHBondContact O-CG 3.35Å; I96-E100 PolarHBondContact O-N 2.69Å
97R81.1Confident79.3Confident185 Ų185119.7 Ų119.770%0.69857%0.567SS**Hα-helixtrans-60.3-33.2177.5-73.8-174.9-154.9162.34.9113.1M93 E95 G101M93-R97 PolarHBondContact O-N 3.44Å; M93-R97 VanDerWaalsContact O-N 3.09Å; E95-R97 PolarHBondContact O-N 3.44Å; R97-G101 PolarHBondContact O-N 3.46Å
98R80.8Confident77.7Confident163 Ų163120.4 Ų120.462%0.61558%0.575SS**Hα-helixtrans-67.2-42.1176.1-170.3-178.675.6131.20.4110.7K94 E95 I96 G101 S102K94-R98 WeakPolarHBondContact O-CB 3.3Å; K94-R98 PolarHBondContact O-N 3.11Å; E95-R98 WeakPolarHBondContact O-CB 3.4Å; E95-R98 PolarHBondContact O-N 2.95Å; E95-R98 VanDerWaalsContact O-N 3.09Å; E95-R98 IonicContact OE1-CZ 3.28Å; E95-R98 VanDerWaalsContact OE1-CZ 3.28Å; E95-R98 IonicContact OE1-NE 3.18Å; E95-R98 PolarHBondContact OE1-NE 2.98Å; E95-R98 IonicContact OE1-NH2 2.68Å; E95-R98 PolarHBondContact OE1-NH2 2.85Å; I96-R98 PolarHBondContact O-N 3.4Å; R98-G101 PolarHBondContact O-N 3.1Å; R98-S102 PolarHBondContact O-N 3.01Å; R98-S102 PolarHBondContact O-OG 2.91Å
99L82.1Confident76.1Confident96 Ų96124.9 Ų124.950%0.50359%0.594SS.*Hα-helixtrans-65.5-49.8176-69170.9000111.5E95 I96 G101 S102 E103E95-L99 WeakPolarHBondContact O-CG 3.41Å; E95-L99 PolarHBondContact O-N 3.42Å; I96-L99 WeakPolarHBondContact O-CB 3.41Å; I96-L99 PolarHBondContact O-N 2.96Å; L99-G101 VanDerWaalsContact C-N 3.26Å; L99-G101 PolarHBondContact O-N 2.79Å; L99-S102 WeakPolarHBondContact O-CB 3.41Å; L99-S102 PolarHBondContact O-N 3.43Å; L99-E103 PolarHBondContact O-N 3.38Å
100E80.6Confident74.4Confident94 Ų94128.1 Ų128.144%0.43961%0.606SS.*Hα-helixtrans-58.3-38.5175.1-70.2176.3175.200112I96 E103 K104I96-E100 HydrophobicContact CG2-CG 4.24Å; I96-E100 WeakPolarHBondContact O-CG 3.35Å; I96-E100 PolarHBondContact O-N 2.69Å; E100-E103 PolarHBondContact O-N 2.89Å; E100-K104 WeakPolarHBondContact O-CB 3.3Å; E100-K104 WeakPolarHBondContact O-CG 3.4Å; E100-K104 PolarHBondContact O-N 3.11Å
101G76.3Confident73.3Confident31 Ų31130.8 Ų130.832%0.3261%0.61SS.*Hα-helixtrans-63.7-42.4174.200000112.6R97 R98 L99 S105R97-G101 PolarHBondContact O-N 3.46Å; R98-G101 PolarHBondContact O-N 3.1Å; L99-G101 VanDerWaalsContact C-N 3.26Å; L99-G101 PolarHBondContact O-N 2.79Å; G101-S105 WeakPolarHBondContact O-CB 3.35Å; G101-S105 PolarHBondContact O-N 2.87Å; G101-S105 PolarHBondContact O-OG 2.92Å
102S69.4Low72.2Confident70 Ų70126.5 Ų126.549%0.4961%0.611SS.*Hα-helixtrans-65-39.2174.5-75.70000112.3R98 L99 S105 R106R98-S102 PolarHBondContact O-N 3.01Å; R98-S102 PolarHBondContact O-OG 2.91Å; L99-S102 WeakPolarHBondContact O-CB 3.41Å; L99-S102 PolarHBondContact O-N 3.43Å; S102-S105 WeakPolarHBondContact O-CB 3.3Å; S102-S105 PolarHBondContact O-N 2.98Å; S102-R106 PolarHBondContact O-N 2.9Å; S102-R106 VanDerWaalsContact O-N 3.14Å
103E69.6Low71.5Confident132 Ų132126.1 Ų126.162%0.61761%0.607SS**Hα-helixtrans-66.7-44.2175.7-73.1-175.4162.700112.2L99 E100 S105 R106L99-E103 PolarHBondContact O-N 3.38Å; E100-E103 PolarHBondContact O-N 2.89Å; E103-S105 PolarHBondContact O-N 3.21Å; E103-R106 WeakPolarHBondContact O-CB 3.49Å; E103-R106 PolarHBondContact O-N 3.36Å
104K66.9Low71.3Confident159 Ų159125.1 Ų125.169%0.69161%0.606SS**Hα-helixtrans-61.9-25.8172.5-75.6176.1-179.9172.70113E100E100-K104 WeakPolarHBondContact O-CB 3.3Å; E100-K104 WeakPolarHBondContact O-CG 3.4Å; E100-K104 PolarHBondContact O-N 3.11Å
105S61.6Low71.3Confident78 Ų78122.3 Ų122.355%0.54561%0.607SS.*Hα-helixtrans-81.3-20.3176.3-540000113.1G101 S102 E103 G107G101-S105 WeakPolarHBondContact O-CB 3.35Å; G101-S105 PolarHBondContact O-N 2.87Å; G101-S105 PolarHBondContact O-OG 2.92Å; S102-S105 WeakPolarHBondContact O-CB 3.3Å; S102-S105 PolarHBondContact O-N 2.98Å; E103-S105 PolarHBondContact O-N 3.21Å; S105-G107 VanDerWaalsContact C-N 3.33Å
106R60.3Low71.3Confident219 Ų219124.2 Ų124.283%0.82662%0.62SS**Hα-helixtrans-73.1-22.9176.3-81.3177.7160.9171.2-6.1113.3S102 E103S102-R106 PolarHBondContact O-N 2.9Å; S102-R106 VanDerWaalsContact O-N 3.14Å; E103-R106 WeakPolarHBondContact O-CB 3.49Å; E103-R106 PolarHBondContact O-N 3.36Å
107G58.7Low71.3Confident72 Ų72126.1 Ų126.174%0.74263%0.628SS**THydrogen-bonded Turntrans-93.8-0.9177.800000115.6S105S105-G107 VanDerWaalsContact C-N 3.33Å
108K54.5Low71.6Confident166 Ų166118.9 Ų118.972%0.72261%0.608SS**SBendtrans-102.3116.1172.5-80.7179.7174.9179.80108.3R110K108-R110 PolarHBondContact O-N 2.95Å; K108-R110 VanDerWaalsContact O-N 3.1Å
109E54.5Low72Confident188 Ų188112.9 Ų112.988%0.87959%0.593SS**  trans-47.7120.6167.5-80.9-178.5149.900108.9I111E109-I111 VanDerWaalsContact C-N 3.35Å; E109-I111 PolarHBondContact O-N 3.5Å
110R55.2Low72.4Confident238 Ų238112.5 Ų112.590%0.89860%0.595SS**  trans-66.5100.7172.1-77.8-176.6176.7-175.5-0.9106.6K108 S112K108-R110 PolarHBondContact O-N 2.95Å; K108-R110 VanDerWaalsContact O-N 3.1Å; R110-S112 PolarHBondContact O-N 3.07Å
111I64.3Low72.8Confident119 Ų119111.3 Ų111.361%0.6159%0.59SS**  trans-57.5105.7168.5-57.8171.7000106.2E109 Y113E109-I111 VanDerWaalsContact C-N 3.35Å; E109-I111 PolarHBondContact O-N 3.5Å; I111-Y113 HydrophobicContact CB-CE2 4.36Å; I111-Y113 HydrophobicContact CG2-CD1 4.15Å; I111-Y113 HydrophobicContact CG2-CE1 3.71Å; I111-Y113 HydrophobicContact CG2-CE2 4.27Å; I111-Y113 PolarHBondContact O-N 2.88Å; I111-Y113 VanDerWaalsContact O-N 3.17Å
112S65.7Low73.4Confident112 Ų112115.2 Ų115.278%0.78360%0.603SS**  trans-78.494.8176.7171.70000107.6R110R110-S112 PolarHBondContact O-N 3.07Å
113Y74.4Confident74.5Confident122 Ų122116.5 Ų116.548%0.47860%0.601SS.*  trans-67.6133171-59.7-72.4000109.4I111 E117 I121I111-Y113 HydrophobicContact CB-CE2 4.36Å; I111-Y113 HydrophobicContact CG2-CD1 4.15Å; I111-Y113 HydrophobicContact CG2-CE1 3.71Å; I111-Y113 HydrophobicContact CG2-CE2 4.27Å; I111-Y113 PolarHBondContact O-N 2.88Å; I111-Y113 VanDerWaalsContact O-N 3.17Å; Y113-E117 HydrophobicContact CD1-CB 4.37Å; Y113-I121 HydrophobicContact CD1-CD1 3.6Å; Y113-I121 HydrophobicContact CE1-CD1 3.5Å; Y113-I121 VanDerWaalsContact CE1-CD1 3.5Å; Y113-I121 HydrophobicContact CG-CD1 4.19Å
114T84.4Confident75.7Confident79 Ų79118.1 Ų118.149%0.48561%0.606SS.*  trans-60.5157.9165.259.70000109.9D116 E117 A118T114-D116 PolarHBondContact O-N 3.04Å; T114-E117 PolarHBondContact N-OE2 3.45Å; T114-E117 PolarHBondContact O-N 2.99Å; T114-E117 VanDerWaalsContact O-N 3.13Å; T114-E117 WeakPolarHBondContact OG1-CB 3.5Å; T114-E117 WeakPolarHBondContact OG1-CG 3.44Å; T114-E117 PolarHBondContact OG1-N 3.38Å; T114-E117 PolarHBondContact OG1-OE2 2.92Å; T114-A118 WeakPolarHBondContact O-CB 3.47Å; T114-A118 PolarHBondContact O-N 3.31Å
115S83.5Confident76.9Confident103 Ų103115.9 Ų115.972%0.7260%0.601SS**Hα-helixtrans-53.3-40-179-177.70000112A119S115-A119 VanDerWaalsContact O-CB 3.31Å; S115-A119 WeakPolarHBondContact O-CB 3.39Å; S115-A119 PolarHBondContact O-N 2.91Å
116D87.7Confident78.4Confident126 Ų126120 Ų12067%0.67461%0.605SS**Hα-helixtrans-72.7-38.2-179.5-64.9-20.8000112.6T114 A119 T120T114-D116 PolarHBondContact O-N 3.04Å; D116-A119 PolarHBondContact O-N 2.91Å; D116-T120 WeakPolarHBondContact O-CB 3.37Å; D116-T120 PolarHBondContact O-N 2.94Å; D116-T120 PolarHBondContact O-OG1 3.5Å
117E86.1Confident80Confident97 Ų97117.5 Ų117.545%0.45360%0.595SS.*Hα-helixtrans-65.6-44.1173.7-73.4168.1152.200111.4Y113 T114 T120 I121Y113-E117 HydrophobicContact CD1-CB 4.37Å; T114-E117 PolarHBondContact N-OE2 3.45Å; T114-E117 PolarHBondContact O-N 2.99Å; T114-E117 VanDerWaalsContact O-N 3.13Å; T114-E117 WeakPolarHBondContact OG1-CB 3.5Å; T114-E117 WeakPolarHBondContact OG1-CG 3.44Å; T114-E117 PolarHBondContact OG1-N 3.38Å; T114-E117 PolarHBondContact OG1-OE2 2.92Å; E117-T120 PolarHBondContact O-N 2.69Å; E117-I121 VanDerWaalsContact O-CG1 3.28Å; E117-I121 WeakPolarHBondContact O-CG1 3.48Å; E117-I121 PolarHBondContact O-N 2.97Å
118A86.1Confident81.6Confident33 Ų33115 Ų11527%0.27357%0.57SS.*Hα-helixtrans-61.3-46.3175.900000111T114 T120 I121 I122T114-A118 WeakPolarHBondContact O-CB 3.47Å; T114-A118 PolarHBondContact O-N 3.31Å; A118-T120 VanDerWaalsContact C-N 3.32Å; A118-T120 PolarHBondContact O-N 3.45Å; A118-I121 PolarHBondContact O-N 2.71Å; A118-I122 WeakPolarHBondContact O-CB 3.44Å; A118-I122 VanDerWaalsContact O-CG1 3.24Å; A118-I122 WeakPolarHBondContact O-CG1 3.5Å; A118-I122 PolarHBondContact O-N 3.47Å
119A89.5Confident83.4Confident37 Ų37112.7 Ų112.731%0.30656%0.56SS.*Hα-helixtrans-59-43.5175.600000111.4S115 D116 I122 Q123S115-A119 VanDerWaalsContact O-CB 3.31Å; S115-A119 WeakPolarHBondContact O-CB 3.39Å; S115-A119 PolarHBondContact O-N 2.91Å; D116-A119 PolarHBondContact O-N 2.91Å; A119-I122 PolarHBondContact O-N 3.44Å; A119-Q123 WeakPolarHBondContact O-CB 3.43Å; A119-Q123 VanDerWaalsContact O-CG 3.24Å; A119-Q123 WeakPolarHBondContact O-CG 3.5Å; A119-Q123 PolarHBondContact O-N 3.17Å
120T90.5Very high85.2Confident87 Ų87106.5 Ų106.553%0.53454%0.535SS..Hα-helixtrans-63.3-43.5178.6-58.60000111.9D116 E117 A118 Q123 K124D116-T120 WeakPolarHBondContact O-CB 3.37Å; D116-T120 PolarHBondContact O-N 2.94Å; D116-T120 PolarHBondContact O-OG1 3.5Å; E117-T120 PolarHBondContact O-N 2.69Å; A118-T120 VanDerWaalsContact C-N 3.32Å; A118-T120 PolarHBondContact O-N 3.45Å; T120-Q123 PolarHBondContact O-N 2.59Å; T120-K124 VanDerWaalsContact O-CB 3.26Å; T120-K124 WeakPolarHBondContact O-CB 3.5Å; T120-K124 PolarHBondContact O-N 3.45Å
121I88.9Confident87Confident69 Ų6998.7 Ų98.735%0.35452%0.516SS..Hα-helixtrans-64.5-46177.5-67.7165.4000110.6Y113 E117 A118 K124 L125Y113-I121 HydrophobicContact CD1-CD1 3.6Å; Y113-I121 HydrophobicContact CE1-CD1 3.5Å; Y113-I121 VanDerWaalsContact CE1-CD1 3.5Å; Y113-I121 HydrophobicContact CG-CD1 4.19Å; E117-I121 VanDerWaalsContact O-CG1 3.28Å; E117-I121 WeakPolarHBondContact O-CG1 3.48Å; E117-I121 PolarHBondContact O-N 2.97Å; A118-I121 PolarHBondContact O-N 2.71Å; I121-K124 PolarHBondContact O-N 3.23Å; I121-L125 HydrophobicContact CG2-CD1 3.96Å; I121-L125 WeakPolarHBondContact O-CB 3.47Å; I121-L125 WeakPolarHBondContact O-CG 3.37Å; I121-L125 PolarHBondContact O-N 3.04Å
122I90.2Very high88.3Confident113 Ų113100.8 Ų100.858%0.57952%0.516SS*.Hα-helixtrans-61.6-47.4178.2-68.5166.4000110.3A118 A119 K124 L125 W126A118-I122 WeakPolarHBondContact O-CB 3.44Å; A118-I122 VanDerWaalsContact O-CG1 3.24Å; A118-I122 WeakPolarHBondContact O-CG1 3.5Å; A118-I122 PolarHBondContact O-N 3.47Å; A119-I122 PolarHBondContact O-N 3.44Å; I122-K124 PolarHBondContact O-N 2.93Å; I122-L125 PolarHBondContact O-N 3.18Å; I122-W126 WeakPolarHBondContact O-CB 3.4Å; I122-W126 PolarHBondContact O-N 2.84Å
123Q92.5Very high89.3Confident98 Ų98102.2 Ų102.246%0.45851%0.508SS..Hα-helixtrans-61.2-43.7177.6-75-179.88.400111.7A119 T120 W126 R127A119-Q123 WeakPolarHBondContact O-CB 3.43Å; A119-Q123 VanDerWaalsContact O-CG 3.24Å; A119-Q123 WeakPolarHBondContact O-CG 3.5Å; A119-Q123 PolarHBondContact O-N 3.17Å; T120-Q123 PolarHBondContact O-N 2.59Å; Q123-W126 PolarHBondContact O-N 3.32Å; Q123-R127 VanDerWaalsContact O-CB 3.24Å; Q123-R127 WeakPolarHBondContact O-CB 3.47Å; Q123-R127 VanDerWaalsContact O-CG 3.23Å; Q123-R127 WeakPolarHBondContact O-CG 3.23Å; Q123-R127 PolarHBondContact O-N 2.75Å
124K94Very high90.1Very high166 Ų166103 Ų10372%0.72251%0.514SS*.Hα-helixtrans-61.1-46177-176.9178.3179.81780111.5T120 I121 I122 G128T120-K124 VanDerWaalsContact O-CB 3.26Å; T120-K124 WeakPolarHBondContact O-CB 3.5Å; T120-K124 PolarHBondContact O-N 3.45Å; I121-K124 PolarHBondContact O-N 3.23Å; I122-K124 PolarHBondContact O-N 2.93Å; K124-G128 PolarHBondContact O-N 2.86Å
125L91.6Very high90.5Very high111 Ų111103.3 Ų103.358%0.58152%0.516SS*.Hα-helixtrans-63.9-45.8177.7-76.9169.4000111.8I121 I122 G128 F129I121-L125 HydrophobicContact CG2-CD1 3.96Å; I121-L125 WeakPolarHBondContact O-CB 3.47Å; I121-L125 WeakPolarHBondContact O-CG 3.37Å; I121-L125 PolarHBondContact O-N 3.04Å; I122-L125 PolarHBondContact O-N 3.18Å; L125-G128 PolarHBondContact O-N 3.31Å; L125-F129 WeakPolarHBondContact O-CB 3.33Å; L125-F129 PolarHBondContact O-N 3.12Å
126W92.7Very high90.7Very high166 Ų166100.4 Ų100.463%0.62950%0.502SS*.Hα-helixtrans-66.4-47.4179.8-178.182.5000111.9I122 Q123 G128 F129 V130I122-W126 WeakPolarHBondContact O-CB 3.4Å; I122-W126 PolarHBondContact O-N 2.84Å; Q123-W126 PolarHBondContact O-N 3.32Å; W126-G128 VanDerWaalsContact C-N 3.3Å; W126-G128 PolarHBondContact O-N 2.92Å; W126-F129 PolarHBondContact O-N 3.5Å; W126-F129 VanDerWaalsContact O-N 3.15Å; W126-V130 HydrophobicContact CD2-CG2 3.94Å; W126-V130 HydrophobicContact CE3-CG2 4.4Å; W126-V130 HydrophobicContact CG-CG2 4.42Å; W126-V130 HydrophobicContact CH2-CG2 4.29Å; W126-V130 HydrophobicContact CZ2-CG2 3.8Å; W126-V130 WeakPolarHBondContact O-CB 3.5Å; W126-V130 WeakPolarHBondContact O-CG2 3.38Å; W126-V130 PolarHBondContact O-N 2.72Å
127R94.1Very high90.5Very high165 Ų16597.8 Ų97.862%0.62349%0.491SS*.Hα-helixtrans-58.6-43.2174.6-73.3177179.21742.4111.1Q123 C131Q123-R127 VanDerWaalsContact O-CB 3.24Å; Q123-R127 WeakPolarHBondContact O-CB 3.47Å; Q123-R127 VanDerWaalsContact O-CG 3.23Å; Q123-R127 WeakPolarHBondContact O-CG 3.23Å; Q123-R127 PolarHBondContact O-N 2.75Å; R127-C131 WeakPolarHBondContact O-CB 3.5Å; R127-C131 PolarHBondContact O-N 3.46Å
128G93.5Very high90.6Very high20 Ų2098.1 Ų98.121%0.20649%0.493CS..Hα-helixtrans-62.2-42.8174.800000113.1K124 L125 W126 R132K124-G128 PolarHBondContact O-N 2.86Å; L125-G128 PolarHBondContact O-N 3.31Å; W126-G128 VanDerWaalsContact C-N 3.3Å; W126-G128 PolarHBondContact O-N 2.92Å; G128-R132 WeakPolarHBondContact O-CB 3.46Å; G128-R132 WeakPolarHBondContact O-CG 3.41Å; G128-R132 PolarHBondContact O-N 3.06Å; G128-R132 PolarHBondContact O-NH1 3.28Å
129F92.1Very high90.7Very high118 Ų118104.5 Ų104.552%0.51851%0.51SS..Hα-helixtrans-63.9-49.4176.2173.5-97.9000111.9L125 W126 C131 R132 K133L125-F129 WeakPolarHBondContact O-CB 3.33Å; L125-F129 PolarHBondContact O-N 3.12Å; W126-F129 PolarHBondContact O-N 3.5Å; W126-F129 VanDerWaalsContact O-N 3.15Å; F129-C131 VanDerWaalsContact C-N 3.34Å; F129-C131 PolarHBondContact O-N 3.18Å; F129-R132 PolarHBondContact O-N 3.47Å; F129-K133 HydrophobicContact CE1-CD 4.41Å; F129-K133 WeakPolarHBondContact O-CB 3.15Å; F129-K133 PolarHBondContact O-N 3.33Å
130V92.3Very high90.2Very high58 Ų58106.8 Ų106.835%0.35251%0.513SS..Hα-helixtrans-60.9-44.2177.81730000110.6W126 K133 K134W126-V130 HydrophobicContact CD2-CG2 3.94Å; W126-V130 HydrophobicContact CE3-CG2 4.4Å; W126-V130 HydrophobicContact CG-CG2 4.42Å; W126-V130 HydrophobicContact CH2-CG2 4.29Å; W126-V130 HydrophobicContact CZ2-CG2 3.8Å; W126-V130 WeakPolarHBondContact O-CB 3.5Å; W126-V130 WeakPolarHBondContact O-CG2 3.38Å; W126-V130 PolarHBondContact O-N 2.72Å; V130-K133 PolarHBondContact O-N 3.26Å; V130-K134 WeakPolarHBondContact O-CB 3.23Å; V130-K134 PolarHBondContact O-N 3.35Å
131C93.1Very high89.8Confident74 Ų74108.3 Ų108.350%0.551%0.514SS..Hα-helixtrans-61.1-50.2177-176.10000111.6R127 F129 K133 K134 V135R127-C131 WeakPolarHBondContact O-CB 3.5Å; R127-C131 PolarHBondContact O-N 3.46Å; F129-C131 VanDerWaalsContact C-N 3.34Å; F129-C131 PolarHBondContact O-N 3.18Å; C131-K133 VanDerWaalsContact C-N 3.3Å; C131-K133 PolarHBondContact O-N 3.31Å; C131-K134 PolarHBondContact O-N 3.4Å; C131-K134 VanDerWaalsContact O-N 3.13Å; C131-V135 WeakPolarHBondContact O-CG2 3.39Å; C131-V135 PolarHBondContact O-N 3.45Å
132R90.6Very high89.8Confident163 Ų163110.5 Ų110.562%0.61552%0.523SS*.Hα-helixtrans-59.5-40176.1-74.9-174.7-63.6-86.91.4112.4G128 F129 V135 G136G128-R132 WeakPolarHBondContact O-CB 3.46Å; G128-R132 WeakPolarHBondContact O-CG 3.41Å; G128-R132 PolarHBondContact O-N 3.06Å; G128-R132 PolarHBondContact O-NH1 3.28Å; F129-R132 PolarHBondContact O-N 3.47Å; R132-V135 PolarHBondContact O-N 3.47Å; R132-G136 PolarHBondContact O-N 3.21Å
133K87Confident89.4Confident141 Ų141107.2 Ų107.261%0.61351%0.507SS*.Hα-helixtrans-63.2-44.4175.6-169.2178.3-179.6-177.90111F129 V130 C131 G136 V137F129-K133 HydrophobicContact CE1-CD 4.41Å; F129-K133 WeakPolarHBondContact O-CB 3.15Å; F129-K133 PolarHBondContact O-N 3.33Å; V130-K133 PolarHBondContact O-N 3.26Å; C131-K133 VanDerWaalsContact C-N 3.3Å; C131-K133 PolarHBondContact O-N 3.31Å; K133-G136 PolarHBondContact O-N 2.86Å; K133-V137 WeakPolarHBondContact O-CG2 3.29Å; K133-V137 PolarHBondContact O-N 3Å
134K91.3Very high88.7Confident140 Ų140105.3 Ų105.361%0.60950%0.499SS*.Hα-helixtrans-64.4-45.1177-168.5178.3-179.6-177.90111.8V130 C131 G136 V137 M138V130-K134 WeakPolarHBondContact O-CB 3.23Å; V130-K134 PolarHBondContact O-N 3.35Å; C131-K134 PolarHBondContact O-N 3.4Å; C131-K134 VanDerWaalsContact O-N 3.13Å; K134-G136 VanDerWaalsContact C-N 3.3Å; K134-G136 PolarHBondContact O-N 3.15Å; K134-V137 PolarHBondContact O-N 3.46Å; K134-V137 VanDerWaalsContact O-N 3.15Å; K134-M138 HydrophobicContact CG-CG 4.49Å; K134-M138 HydrophobicContact CG-SD 4.21Å; K134-M138 WeakPolarHBondContact O-CG 3.34Å; K134-M138 PolarHBondContact O-N 3.2Å
135V92.4Very high88Confident85 Ų85107.4 Ų107.452%0.51550%0.502SS..Hα-helixtrans-60.6-40.3174.8171.80000111C131 R132 V137 M138 R139C131-V135 WeakPolarHBondContact O-CG2 3.39Å; C131-V135 PolarHBondContact O-N 3.45Å; R132-V135 PolarHBondContact O-N 3.47Å; V135-V137 PolarHBondContact O-N 3.46Å; V135-M138 PolarHBondContact O-N 3.46Å; V135-R139 VanDerWaalsContact O-CB 3.29Å; V135-R139 WeakPolarHBondContact O-CB 3.33Å; V135-R139 PolarHBondContact O-N 3.48Å
136G87.9Confident87.7Confident42 Ų42106.5 Ų106.543%0.43350%0.498SS..Hα-helixtrans-61.4-41.317400000113.1R132 K133 K134 K140R132-G136 PolarHBondContact O-N 3.21Å; K133-G136 PolarHBondContact O-N 2.86Å; K134-G136 VanDerWaalsContact C-N 3.3Å; K134-G136 PolarHBondContact O-N 3.15Å; G136-K140 WeakPolarHBondContact O-CB 3.42Å; G136-K140 PolarHBondContact O-N 3.29Å; G136-K140 VanDerWaalsContact O-N 3.1Å
137V84.8Confident86.8Confident71 Ų71101.6 Ų101.643%0.4350%0.498SS..Hα-helixtrans-65.8-49.6174.31730000111K133 K134 V135 R139 K140 E141K133-V137 WeakPolarHBondContact O-CG2 3.29Å; K133-V137 PolarHBondContact O-N 3Å; K134-V137 PolarHBondContact O-N 3.46Å; K134-V137 VanDerWaalsContact O-N 3.15Å; V135-V137 PolarHBondContact O-N 3.46Å; V137-R139 VanDerWaalsContact C-N 3.34Å; V137-R139 PolarHBondContact O-N 3.38Å; V137-K140 CarbonylContact O-C 3.6Å; V137-K140 WeakPolarHBondContact O-CA 3.42Å; V137-K140 WeakPolarHBondContact O-CB 3.16Å; V137-K140 PolarHBondContact O-N 3.45Å; V137-E141 HydrophobicContact CG1-CG 4.34Å; V137-E141 WeakPolarHBondContact O-CG 3.42Å; V137-E141 PolarHBondContact O-N 3.49Å
138M87.7Confident85.9Confident104 Ų104100.3 Ų100.351%0.51250%0.501SS..Hα-helixtrans-59-43.9179.1-71176.369.400111.8K134 V135 K140 E141 E142K134-M138 HydrophobicContact CG-CG 4.49Å; K134-M138 HydrophobicContact CG-SD 4.21Å; K134-M138 WeakPolarHBondContact O-CG 3.34Å; K134-M138 PolarHBondContact O-N 3.2Å; V135-M138 PolarHBondContact O-N 3.46Å; M138-K140 VanDerWaalsContact C-N 3.29Å; M138-K140 PolarHBondContact O-N 3.37Å; M138-E141 PolarHBondContact O-N 3.37Å; M138-E142 WeakPolarHBondContact O-CB 3.42Å; M138-E142 PolarHBondContact O-N 2.79Å
139R88.2Confident84.8Confident166 Ų166101.5 Ų101.563%0.62650%0.504SS*.Hα-helixtrans-60.5-39.8174.3-177.7-179.6177.4-175.10111.6V135 V137 L143V135-R139 VanDerWaalsContact O-CB 3.29Å; V135-R139 WeakPolarHBondContact O-CB 3.33Å; V135-R139 PolarHBondContact O-N 3.48Å; V137-R139 VanDerWaalsContact C-N 3.34Å; V137-R139 PolarHBondContact O-N 3.38Å; R139-L143 HydrophobicContact CG-CD1 4.16Å; R139-L143 HydrophobicContact CG-CG 4.48Å; R139-L143 WeakPolarHBondContact O-CB 3.22Å; R139-L143 WeakPolarHBondContact O-CG 3.35Å; R139-L143 PolarHBondContact O-N 2.85Å
140K79.2Confident83.3Confident85 Ų85100.8 Ų100.837%0.3751%0.512SS..Hα-helixtrans-67.9-41.4177.5-172.6165.4-176.9157.80111.4G136 V137 M138 L143 I144 D632G136-K140 WeakPolarHBondContact O-CB 3.42Å; G136-K140 PolarHBondContact O-N 3.29Å; G136-K140 VanDerWaalsContact O-N 3.1Å; V137-K140 CarbonylContact O-C 3.6Å; V137-K140 WeakPolarHBondContact O-CA 3.42Å; V137-K140 WeakPolarHBondContact O-CB 3.16Å; V137-K140 PolarHBondContact O-N 3.45Å; M138-K140 VanDerWaalsContact C-N 3.29Å; M138-K140 PolarHBondContact O-N 3.37Å; K140-L143 PolarHBondContact O-N 3.41Å; K140-I144 HydrophobicContact CG-CD1 4.14Å; K140-I144 WeakPolarHBondContact O-CB 3.35Å; K140-I144 WeakPolarHBondContact O-CD1 3.31Å; K140-I144 WeakPolarHBondContact O-CG1 3.48Å; K140-I144 PolarHBondContact O-N 2.87Å; K140-D632 IonicContact NZ-OD1 3.36Å; K140-D632 PolarHBondContact NZ-OD1 2.93Å; K140-D632 IonicContact NZ-OD2 2.7Å; K140-D632 PolarHBondContact NZ-OD2 3.24Å
141E82.6Confident81.9Confident119 Ų119100.9 Ų100.956%0.55651%0.512SS*.Hα-helixtrans-62.8-42.9174.3-71.7172.1169.700111.7V137 M138 I144 W145V137-E141 HydrophobicContact CG1-CG 4.34Å; V137-E141 WeakPolarHBondContact O-CG 3.42Å; V137-E141 PolarHBondContact O-N 3.49Å; M138-E141 PolarHBondContact O-N 3.37Å; E141-I144 WeakPolarHBondContact O-CB 3.43Å; E141-I144 PolarHBondContact O-N 3.18Å; E141-W145 WeakPolarHBondContact O-CB 3.12Å; E141-W145 PolarHBondContact O-N 2.88Å
142E87.2Confident80.1Confident116 Ų116100.7 Ų100.754%0.54251%0.506SS..Hα-helixtrans-64.2-46.1175.9-176.6178.7-159.900111.8M138 I144 W145 L146M138-E142 WeakPolarHBondContact O-CB 3.42Å; M138-E142 PolarHBondContact O-N 2.79Å; E142-I144 VanDerWaalsContact C-N 3.26Å; E142-I144 PolarHBondContact O-N 3.28Å; E142-W145 PolarHBondContact O-N 3.46Å; E142-W145 VanDerWaalsContact O-N 3.13Å; E142-L146 HydrophobicContact CG-CD1 3.96Å; E142-L146 HydrophobicContact CG-CG 4.4Å; E142-L146 WeakPolarHBondContact O-CB 3.4Å; E142-L146 VanDerWaalsContact O-CG 3.31Å; E142-L146 WeakPolarHBondContact O-CG 3.38Å; E142-L146 PolarHBondContact O-N 2.9Å
143L82.5Confident78.1Confident44 Ų4498 Ų9823%0.2350%0.503CS..Hα-helixtrans-62-35.3175.7-74.5171.1000112.5R139 K140 G147 M148 V149R139-L143 HydrophobicContact CG-CD1 4.16Å; R139-L143 HydrophobicContact CG-CG 4.48Å; R139-L143 WeakPolarHBondContact O-CB 3.22Å; R139-L143 WeakPolarHBondContact O-CG 3.35Å; R139-L143 PolarHBondContact O-N 2.85Å; K140-L143 PolarHBondContact O-N 3.41Å; L143-G147 PolarHBondContact O-N 3.46Å; L143-M148 HydrophobicContact CD2-CB 3.89Å; L143-M148 HydrophobicContact CD2-CE 4.41Å; L143-M148 HydrophobicContact CD2-CG 4.38Å; L143-M148 HydrophobicContact CD2-SD 3.74Å; L143-M148 PolarHBondContact O-N 3Å; L143-V149 HydrophobicContact CB-CB 4.24Å; L143-V149 HydrophobicContact CB-CG2 3.81Å; L143-V149 HydrophobicContact CD1-CG2 4.19Å; L143-V149 PolarHBondContact O-N 2.71Å; L143-V149 VanDerWaalsContact O-N 3.09Å
144I78Confident76.1Confident57 Ų5796.2 Ų96.229%0.29250%0.497SS..Hα-helixtrans-66.8-47.1172.8-75.7167.5000110.3K140 E141 E142 L146 G147 V149 T151K140-I144 HydrophobicContact CG-CD1 4.14Å; K140-I144 WeakPolarHBondContact O-CB 3.35Å; K140-I144 WeakPolarHBondContact O-CD1 3.31Å; K140-I144 WeakPolarHBondContact O-CG1 3.48Å; K140-I144 PolarHBondContact O-N 2.87Å; E141-I144 WeakPolarHBondContact O-CB 3.43Å; E141-I144 PolarHBondContact O-N 3.18Å; E142-I144 VanDerWaalsContact C-N 3.26Å; E142-I144 PolarHBondContact O-N 3.28Å; I144-L146 VanDerWaalsContact C-N 3.34Å; I144-L146 PolarHBondContact O-N 3.48Å; I144-G147 PolarHBondContact O-N 2.81Å; I144-V149 HydrophobicContact CG1-CB 4.27Å; I144-V149 HydrophobicContact CG1-CG1 4.25Å; I144-T151 HydrophobicContact CG2-CG2 3.32Å
145W79.9Confident74Confident211 Ų21193.2 Ų93.280%0.79949%0.485SS*.Hα-helixtrans-63.1-39.8-179.1-17979.1000112.3E141 E142 G147E141-W145 WeakPolarHBondContact O-CB 3.12Å; E141-W145 PolarHBondContact O-N 2.88Å; E142-W145 PolarHBondContact O-N 3.46Å; E142-W145 VanDerWaalsContact O-N 3.13Å; W145-G147 PolarHBondContact O-N 3.47Å
146L85.2Confident71.8Confident92 Ų9293.8 Ų93.848%0.48248%0.484SS..THydrogen-bonded Turntrans-72.7-5.6173.2-67.2173.3000113.4E142 I144 M148E142-L146 HydrophobicContact CG-CD1 3.96Å; E142-L146 HydrophobicContact CG-CG 4.4Å; E142-L146 WeakPolarHBondContact O-CB 3.4Å; E142-L146 VanDerWaalsContact O-CG 3.31Å; E142-L146 WeakPolarHBondContact O-CG 3.38Å; E142-L146 PolarHBondContact O-N 2.9Å; I144-L146 VanDerWaalsContact C-N 3.34Å; I144-L146 PolarHBondContact O-N 3.48Å; L146-M148 HydrophobicContact CB-CG 4.11Å; L146-M148 HydrophobicContact CD1-SD 4.47Å; L146-M148 PolarHBondContact O-N 3.2Å
147G73.9Confident69.9Low62 Ų6295.8 Ų95.864%0.63949%0.488SS*.THydrogen-bonded Turntrans72.510.5-177.700000114.8L143 I144 W145L143-G147 PolarHBondContact O-N 3.46Å; I144-G147 PolarHBondContact O-N 2.81Å; W145-G147 PolarHBondContact O-N 3.47Å
148M75.3Confident68.2Low138 Ų13899.6 Ų99.668%0.6850%0.501SS*.SBendtrans-76.3-24.5178.1-64.4-172.273.600112.8L143 L146L143-M148 HydrophobicContact CD2-CB 3.89Å; L143-M148 HydrophobicContact CD2-CE 4.41Å; L143-M148 HydrophobicContact CD2-CG 4.38Å; L143-M148 HydrophobicContact CD2-SD 3.74Å; L143-M148 PolarHBondContact O-N 3Å; L146-M148 HydrophobicContact CB-CG 4.11Å; L146-M148 HydrophobicContact CD1-SD 4.47Å; L146-M148 PolarHBondContact O-N 3.2Å
149V68.6Low66.5Low46 Ų46100.6 Ų100.628%0.27950%0.502SS..SBendtrans-123.2124.9173.3173.80000108.3L143 I144 T151L143-V149 HydrophobicContact CB-CB 4.24Å; L143-V149 HydrophobicContact CB-CG2 3.81Å; L143-V149 HydrophobicContact CD1-CG2 4.19Å; L143-V149 PolarHBondContact O-N 2.71Å; L143-V149 VanDerWaalsContact O-N 3.09Å; I144-V149 HydrophobicContact CG1-CB 4.27Å; I144-V149 HydrophobicContact CG1-CG1 4.25Å; V149-T151 PolarHBondContact O-N 2.76Å
150P62Low65.2Low103 Ų10394.3 Ų94.367%0.66948%0.484SS*.  trans-63.2133.4177.724.3-31.4000109.9N152P150-N152 PolarHBondContact O-N 2.8Å
151T61.4Low64.7Low60 Ų6094.8 Ų94.837%0.36850%0.498SS..  trans-56.2131.5164.837.50000108I144 V149 L153I144-T151 HydrophobicContact CG2-CG2 3.32Å; V149-T151 PolarHBondContact O-N 2.76Å; T151-L153 PolarHBondContact O-N 3.27Å; T151-L153 WeakPolarHBondContact OG1-CD1 3.49Å; T151-L153 WeakPolarHBondContact OG1-CG 3.38Å
152N55.8Low64.4Low69 Ų6994 Ų9437%0.36950%0.501SS..  trans-71.164.8169.5-86-47.1000109.4P150 H154 H155 I156 R620P150-N152 PolarHBondContact O-N 2.8Å; N152-H154 VanDerWaalsContact C-N 3.32Å; N152-H154 PolarHBondContact O-N 2.99Å; N152-H155 HydrophobicContact CB-CB 4.36Å; N152-H155 PolarHBondContact O-N 3.22Å; N152-I156 WeakPolarHBondContact O-CG1 3.42Å; N152-I156 PolarHBondContact O-N 2.58Å; N152-I156 VanDerWaalsContact O-N 3.09Å; N152-R620 PolarHBondContact OD1-NH1 2.84Å; N152-R620 VanDerWaalsContact OD1-NH1 3.07Å
153L49.7Very low63.8Low106 Ų10691.3 Ų91.356%0.55549%0.493SS*.Hα-helixtrans-54-44.5-174.8-88.3143.8000111.7T151 H155 I156 V157T151-L153 PolarHBondContact O-N 3.27Å; T151-L153 WeakPolarHBondContact OG1-CD1 3.49Å; T151-L153 WeakPolarHBondContact OG1-CG 3.38Å; L153-H155 VanDerWaalsContact C-N 3.28Å; L153-H155 PolarHBondContact O-N 3.31Å; L153-I156 PolarHBondContact O-N 3.48Å; L153-I156 VanDerWaalsContact O-N 3.13Å; L153-V157 VanDerWaalsContact O-CG2 3.29Å; L153-V157 WeakPolarHBondContact O-CG2 3.44Å; L153-V157 PolarHBondContact O-N 3.18Å
154H44.9Very low63.4Low105 Ų10593.8 Ų93.849%0.48650%0.502SS..Hα-helixtrans-59.3-36.5178.1-85.3-79.7000113.6N152N152-H154 VanDerWaalsContact C-N 3.32Å; N152-H154 PolarHBondContact O-N 2.99Å
155H46.7Very low63.6Low76 Ų7695.7 Ų95.735%0.35251%0.512SS..Hα-helixtrans-81.3-25.4-179.8-139.5-40.2000112.4N152 L153 K159N152-H155 HydrophobicContact CB-CB 4.36Å; N152-H155 PolarHBondContact O-N 3.22Å; L153-H155 VanDerWaalsContact C-N 3.28Å; L153-H155 PolarHBondContact O-N 3.31Å; H155-K159 VanDerWaalsContact O-CB 3.32Å; H155-K159 WeakPolarHBondContact O-CB 3.46Å; H155-K159 WeakPolarHBondContact O-CG 3.36Å
156I45.4Very low63.8Low98 Ų9887.9 Ų87.950%0.50349%0.492SS..Hα-helixtrans-80.3-43.7177.5-65.6167.8000110.8N152 L153 K159 S160N152-I156 WeakPolarHBondContact O-CG1 3.42Å; N152-I156 PolarHBondContact O-N 2.58Å; N152-I156 VanDerWaalsContact O-N 3.09Å; L153-I156 PolarHBondContact O-N 3.48Å; L153-I156 VanDerWaalsContact O-N 3.13Å; I156-K159 CarbonylContact O-C 3.57Å; I156-K159 PolarHBondContact O-N 2.68Å; I156-K159 VanDerWaalsContact O-N 3.16Å; I156-S160 WeakPolarHBondContact O-CA 3.25Å; I156-S160 PolarHBondContact O-N 2.97Å
157V47.9Very low63.5Low83 Ų8387.9 Ų87.950%0.50349%0.493SS..Hα-helixtrans-64-46.5-177.31740000111.2L153 K159 S160L153-V157 VanDerWaalsContact O-CG2 3.29Å; L153-V157 WeakPolarHBondContact O-CG2 3.44Å; L153-V157 PolarHBondContact O-N 3.18Å; V157-K159 VanDerWaalsContact C-N 3.26Å; V157-K159 PolarHBondContact O-N 3.39Å; V157-S160 WeakPolarHBondContact O-CB 3.3Å; V157-S160 PolarHBondContact O-N 3.03Å; V157-S160 PolarHBondContact O-OG 3.41Å
158Q50.2Low64.1Low152 Ų15292.7 Ų92.771%0.7149%0.491SS*.THydrogen-bonded Turntrans-68.6-23.4175.9-72.3-170.9-12.100113.5
159K52Low64.7Low124 Ų12489.4 Ų89.454%0.53948%0.479SS..THydrogen-bonded Turntrans-95.8-1.6175.1-74.4-174.1174.1173.40113.6H155 I156 V157 S161H155-K159 VanDerWaalsContact O-CB 3.32Å; H155-K159 WeakPolarHBondContact O-CB 3.46Å; H155-K159 WeakPolarHBondContact O-CG 3.36Å; I156-K159 CarbonylContact O-C 3.57Å; I156-K159 PolarHBondContact O-N 2.68Å; I156-K159 VanDerWaalsContact O-N 3.16Å; V157-K159 VanDerWaalsContact C-N 3.26Å; V157-K159 PolarHBondContact O-N 3.39Å; K159-S161 PolarHBondContact O-N 2.79Å
160S61.7Low65.5Low35 Ų3589.9 Ų89.925%0.24548%0.48CS..  trans-58.2131.2-176.3930000107.8I156 V157 V162 V163 K164I156-S160 WeakPolarHBondContact O-CA 3.25Å; I156-S160 PolarHBondContact O-N 2.97Å; V157-S160 WeakPolarHBondContact O-CB 3.3Å; V157-S160 PolarHBondContact O-N 3.03Å; V157-S160 PolarHBondContact O-OG 3.41Å; S160-V162 PolarHBondContact O-N 2.98Å; S160-V162 VanDerWaalsContact O-N 3.14Å; S160-V163 PolarHBondContact O-N 3.2Å; S160-V163 WeakPolarHBondContact OG-CG2 3.48Å; S160-V163 PolarHBondContact OG-N 3.03Å; S160-V163 VanDerWaalsContact OG-N 3.16Å; S160-K164 PolarHBondContact O-N 3.2Å
161S68.7Low66.5Low94 Ų9487.4 Ų87.466%0.65747%0.468SS*.Hα-helixtrans-55-32.7-179.1530000110.8K159 L165K159-S161 PolarHBondContact O-N 2.79Å; S161-L165 VanDerWaalsContact O-CB 3.23Å; S161-L165 WeakPolarHBondContact O-CB 3.29Å; S161-L165 PolarHBondContact O-N 2.89Å
162V75.9Confident67.9Low104 Ų10489 Ų8963%0.6348%0.478SS*.Hα-helixtrans-64.5-51.5178.7-174.50000111.9S160 K164 L165 A166S160-V162 PolarHBondContact O-N 2.98Å; S160-V162 VanDerWaalsContact O-N 3.14Å; V162-K164 VanDerWaalsContact C-N 3.33Å; V162-K164 PolarHBondContact O-N 2.98Å; V162-L165 WeakPolarHBondContact O-CB 3.28Å; V162-L165 PolarHBondContact O-N 2.78Å; V162-L165 VanDerWaalsContact O-N 3.15Å; V162-A166 WeakPolarHBondContact O-CB 3.45Å; V162-A166 PolarHBondContact O-N 2.63Å
163V74Confident69.4Low59 Ų5992.8 Ų92.836%0.35849%0.487SS..Hα-helixtrans-65-39.3-180173.20000111S160 L165 A166 N167S160-V163 PolarHBondContact O-N 3.2Å; S160-V163 WeakPolarHBondContact OG-CG2 3.48Å; S160-V163 PolarHBondContact OG-N 3.03Å; S160-V163 VanDerWaalsContact OG-N 3.16Å; V163-L165 VanDerWaalsContact C-N 3.32Å; V163-L165 PolarHBondContact O-N 3.12Å; V163-A166 PolarHBondContact O-N 2.74Å; V163-N167 WeakPolarHBondContact O-CB 3.46Å; V163-N167 PolarHBondContact O-N 2.98Å; V163-N167 PolarHBondContact O-ND2 2.73Å
164K74.1Confident71Confident96 Ų9691.5 Ų91.542%0.41748%0.475SS..Hα-helixtrans-66.4-34.2174.6-74.3178.4175170.30112.9S160 V162 R168S160-K164 PolarHBondContact O-N 3.2Å; V162-K164 VanDerWaalsContact C-N 3.33Å; V162-K164 PolarHBondContact O-N 2.98Å; K164-R168 PolarHBondContact O-N 2.94Å; K164-R168 PolarHBondContact O-NE 2.58Å
165L83Confident73.1Confident96 Ų9690.7 Ų90.750%0.50348%0.477SS..Hα-helixtrans-68.8-48174.3-179.262.2000110.1S161 V162 V163 N167 R168 V169S161-L165 VanDerWaalsContact O-CB 3.23Å; S161-L165 WeakPolarHBondContact O-CB 3.29Å; S161-L165 PolarHBondContact O-N 2.89Å; V162-L165 WeakPolarHBondContact O-CB 3.28Å; V162-L165 PolarHBondContact O-N 2.78Å; V162-L165 VanDerWaalsContact O-N 3.15Å; V163-L165 VanDerWaalsContact C-N 3.32Å; V163-L165 PolarHBondContact O-N 3.12Å; L165-N167 PolarHBondContact O-N 2.73Å; L165-R168 WeakPolarHBondContact O-CB 3.31Å; L165-R168 PolarHBondContact O-N 2.91Å; L165-V169 HydrophobicContact CD1-CG2 4.27Å; L165-V169 HydrophobicContact CG-CG2 4.38Å; L165-V169 WeakPolarHBondContact O-CG2 3.47Å; L165-V169 PolarHBondContact O-N 2.77Å
166A82.7Confident75.2Confident48 Ų4889.4 Ų89.440%0.39747%0.474SS..Hα-helixtrans-55.8-48.6176.900000111.9V162 V163 R168 V169 D170V162-A166 WeakPolarHBondContact O-CB 3.45Å; V162-A166 PolarHBondContact O-N 2.63Å; V163-A166 PolarHBondContact O-N 2.74Å; A166-R168 VanDerWaalsContact C-N 3.28Å; A166-R168 PolarHBondContact O-N 2.86Å; A166-V169 PolarHBondContact O-N 2.81Å; A166-D170 WeakPolarHBondContact O-CB 3.46Å; A166-D170 PolarHBondContact O-N 2.76Å
167N80.6Confident77.2Confident91 Ų9189.8 Ų89.849%0.48747%0.474SS..Hα-helixtrans-61-35.1176.3-73.8-30.4000113.1V163 L165 A171V163-N167 WeakPolarHBondContact O-CB 3.46Å; V163-N167 PolarHBondContact O-N 2.98Å; V163-N167 PolarHBondContact O-ND2 2.73Å; L165-N167 PolarHBondContact O-N 2.73Å; N167-A171 WeakPolarHBondContact O-CB 3.05Å; N167-A171 PolarHBondContact O-N 2.64Å; N167-A171 VanDerWaalsContact O-N 3.08Å
168R85.5Confident79.1Confident163 Ų16390.5 Ų90.562%0.61548%0.475SS*.Hα-helixtrans-70.1-45.1175-86.8-173.8-75.8170.8-2.8111.8K164 L165 A166 D170 A171 V172K164-R168 PolarHBondContact O-N 2.94Å; K164-R168 PolarHBondContact O-NE 2.58Å; L165-R168 WeakPolarHBondContact O-CB 3.31Å; L165-R168 PolarHBondContact O-N 2.91Å; A166-R168 VanDerWaalsContact C-N 3.28Å; A166-R168 PolarHBondContact O-N 2.86Å; R168-D170 VanDerWaalsContact C-N 3.31Å; R168-D170 PolarHBondContact O-N 2.6Å; R168-A171 PolarHBondContact O-N 2.7Å; R168-V172 WeakPolarHBondContact O-CG2 3.39Å; R168-V172 PolarHBondContact O-N 2.88Å
169V88.4Confident81.1Confident70 Ų7087 Ų8742%0.42446%0.46SS..Hα-helixtrans-59.7-44.9176.4172.30000110.2L165 A166 A171 V172 R173L165-V169 HydrophobicContact CD1-CG2 4.27Å; L165-V169 HydrophobicContact CG-CG2 4.38Å; L165-V169 WeakPolarHBondContact O-CG2 3.47Å; L165-V169 PolarHBondContact O-N 2.77Å; A166-V169 PolarHBondContact O-N 2.81Å; V169-A171 VanDerWaalsContact C-N 3.33Å; V169-A171 PolarHBondContact O-N 3.4Å; V169-V172 PolarHBondContact O-N 3.18Å; V169-R173 WeakPolarHBondContact O-CB 3.46Å; V169-R173 PolarHBondContact O-N 2.88Å
170D84.5Confident83.1Confident56 Ų5683.5 Ų83.530%0.29944%0.444SS..Hα-helixtrans-58.3-42.8174.3-86.84000112.5A166 R168 R174A166-D170 WeakPolarHBondContact O-CB 3.46Å; A166-D170 PolarHBondContact O-N 2.76Å; R168-D170 VanDerWaalsContact C-N 3.31Å; R168-D170 PolarHBondContact O-N 2.6Å; D170-R174 WeakPolarHBondContact O-CG 3.18Å; D170-R174 PolarHBondContact O-N 3.43Å
171A84.5Confident84.4Confident50 Ų5086.3 Ų86.341%0.41345%0.454SS..Hα-helixtrans-66.2-43.9179.100000111.7N167 R168 V169 R174 V175N167-A171 WeakPolarHBondContact O-CB 3.05Å; N167-A171 PolarHBondContact O-N 2.64Å; N167-A171 VanDerWaalsContact O-N 3.08Å; R168-A171 PolarHBondContact O-N 2.7Å; V169-A171 VanDerWaalsContact C-N 3.33Å; V169-A171 PolarHBondContact O-N 3.4Å; A171-R174 PolarHBondContact O-N 3.41Å; A171-V175 PolarHBondContact O-N 2.7Å
172V89.2Confident85.6Confident95 Ų9586.3 Ų86.358%0.57644%0.443SS*.Hα-helixtrans-62.1-48.1176173.10000110.3R168 V169 R174 V175 T176R168-V172 WeakPolarHBondContact O-CG2 3.39Å; R168-V172 PolarHBondContact O-N 2.88Å; V169-V172 PolarHBondContact O-N 3.18Å; V172-R174 PolarHBondContact O-N 2.89Å; V172-R174 VanDerWaalsContact O-N 3.17Å; V172-V175 PolarHBondContact O-N 3.38Å; V172-T176 PolarHBondContact O-N 3.5Å; V172-T176 PolarHBondContact O-OG1 3.41Å
173R88.3Confident86.5Confident147 Ų14784.7 Ų84.756%0.55543%0.429SS*.Hα-helixtrans-53.4-39.3178.1-176.3-178.4-75.1170.1-6.1112.1V169 T176 Q177V169-R173 WeakPolarHBondContact O-CB 3.46Å; V169-R173 PolarHBondContact O-N 2.88Å; R173-T176 PolarHBondContact O-N 3.32Å; R173-Q177 WeakPolarHBondContact O-CB 2.92Å; R173-Q177 VanDerWaalsContact O-CG 3.3Å; R173-Q177 WeakPolarHBondContact O-CG 3.38Å; R173-Q177 PolarHBondContact O-N 2.89Å
174R83.5Confident87.5Confident79 Ų7985.7 Ų85.730%0.29843%0.427SS..Hα-helixtrans-69.9-36.6177.8-70.4174.8-157.8-175.611.1113.9N36 D170 A171 V172 T176 N178N36-R174 PolarHBondContact ND2-NH1 3.09Å; D170-R174 WeakPolarHBondContact O-CG 3.18Å; D170-R174 PolarHBondContact O-N 3.43Å; A171-R174 PolarHBondContact O-N 3.41Å; V172-R174 PolarHBondContact O-N 2.89Å; V172-R174 VanDerWaalsContact O-N 3.17Å; R174-T176 VanDerWaalsContact C-N 3.33Å; R174-N178 PolarHBondContact O-N 3.34Å; R174-N178 VanDerWaalsContact O-N 3.13Å; R174-N178 PolarHBondContact O-ND2 3.3Å
175V88.4Confident88.4Confident89 Ų8985.6 Ų85.654%0.53943%0.427SS..Hα-helixtrans-64.8-46.6175.4174.80000108.7A171 V172 Q177 N178 I179A171-V175 PolarHBondContact O-N 2.7Å; V172-V175 PolarHBondContact O-N 3.38Å; V175-Q177 PolarHBondContact O-N 3Å; V175-N178 PolarHBondContact O-N 3.16Å; V175-I179 HydrophobicContact CG1-CD1 4.1Å; V175-I179 WeakPolarHBondContact O-CG1 3.49Å; V175-I179 PolarHBondContact O-N 3.44Å; V175-I179 VanDerWaalsContact O-N 3.15Å
176T90.6Very high89Confident48 Ų4886.3 Ų86.329%0.29443%0.428SS..Hα-helixtrans-57.9-47.3175.2-56.70000112.3V172 R173 R174 N178 I179 Y180V172-T176 PolarHBondContact O-N 3.5Å; V172-T176 PolarHBondContact O-OG1 3.41Å; R173-T176 PolarHBondContact O-N 3.32Å; R174-T176 VanDerWaalsContact C-N 3.33Å; T176-N178 VanDerWaalsContact C-N 3.32Å; T176-N178 PolarHBondContact O-N 2.85Å; T176-I179 WeakPolarHBondContact O-CB 3.5Å; T176-I179 PolarHBondContact O-N 2.89Å; T176-Y180 HydrophobicContact CG2-CD2 3.78Å; T176-Y180 HydrophobicContact CG2-CE1 4.13Å; T176-Y180 HydrophobicContact CG2-CE2 3.17Å; T176-Y180 HydrophobicContact CG2-CG 4.47Å; T176-Y180 VanDerWaalsContact CG2-CZ 3.41Å; T176-Y180 PolarHBondContact O-N 3.38Å
177Q88.1Confident89.6Confident107 Ų10784 Ų8450%0.541%0.41SS..Hα-helixtrans-57.3-41.3176-79.2173.8-19.400113R173 V175 I179 Y180 E181R173-Q177 WeakPolarHBondContact O-CB 2.92Å; R173-Q177 VanDerWaalsContact O-CG 3.3Å; R173-Q177 WeakPolarHBondContact O-CG 3.38Å; R173-Q177 PolarHBondContact O-N 2.89Å; V175-Q177 PolarHBondContact O-N 3Å; Q177-I179 VanDerWaalsContact C-N 3.29Å; Q177-I179 PolarHBondContact O-N 2.91Å; Q177-Y180 PolarHBondContact O-N 3.19Å; Q177-E181 VanDerWaalsContact O-CB 3.3Å; Q177-E181 WeakPolarHBondContact O-CB 3.48Å; Q177-E181 PolarHBondContact O-N 3.38Å
178N87.4Confident90.3Very high98 Ų9880.8 Ų80.852%0.52439%0.392SS..Hα-helixtrans-67.4-30.8177.1-82.7-61.1000113.1R174 V175 T176 Q182R174-N178 PolarHBondContact O-N 3.34Å; R174-N178 VanDerWaalsContact O-N 3.13Å; R174-N178 PolarHBondContact O-ND2 3.3Å; V175-N178 PolarHBondContact O-N 3.16Å; T176-N178 VanDerWaalsContact C-N 3.32Å; T176-N178 PolarHBondContact O-N 2.85Å; N178-Q182 VanDerWaalsContact O-CG 3.29Å; N178-Q182 WeakPolarHBondContact O-CG 3.47Å; N178-Q182 PolarHBondContact O-N 3.43Å; N178-Q182 PolarHBondContact O-NE2 3.34Å
179I92.1Very high90.8Very high77 Ų7777.9 Ų77.940%0.39539%0.388SS..Hα-helixtrans-70.2-51.1175.8-67165.6000108.7V175 T176 Q177 E181 Q182 E183V175-I179 HydrophobicContact CG1-CD1 4.1Å; V175-I179 WeakPolarHBondContact O-CG1 3.49Å; V175-I179 PolarHBondContact O-N 3.44Å; V175-I179 VanDerWaalsContact O-N 3.15Å; T176-I179 WeakPolarHBondContact O-CB 3.5Å; T176-I179 PolarHBondContact O-N 2.89Å; Q177-I179 VanDerWaalsContact C-N 3.29Å; Q177-I179 PolarHBondContact O-N 2.91Å; I179-E181 VanDerWaalsContact C-N 3.32Å; I179-E181 PolarHBondContact O-N 3.13Å; I179-Q182 WeakPolarHBondContact O-CB 3.18Å; I179-Q182 PolarHBondContact O-N 3.4Å; I179-E183 WeakPolarHBondContact CG2-OE1 3.36Å; I179-E183 WeakPolarHBondContact O-CG 3.36Å; I179-E183 PolarHBondContact O-N 3.02Å
180Y93.5Very high91.1Very high52 Ų5280 Ų8020%0.20439%0.393CS..Hα-helixtrans-65.3-33.9-179.9-60.6-18.9000113.1T176 Q177 Q182 E183 Y184 Q326 H328T176-Y180 HydrophobicContact CG2-CD2 3.78Å; T176-Y180 HydrophobicContact CG2-CE1 4.13Å; T176-Y180 HydrophobicContact CG2-CE2 3.17Å; T176-Y180 HydrophobicContact CG2-CG 4.47Å; T176-Y180 VanDerWaalsContact CG2-CZ 3.41Å; T176-Y180 PolarHBondContact O-N 3.38Å; Q177-Y180 PolarHBondContact O-N 3.19Å; Y180-Q182 VanDerWaalsContact C-N 3.33Å; Y180-Q182 PolarHBondContact O-N 2.63Å; Y180-E183 WeakPolarHBondContact CD1-OE2 3.48Å; Y180-E183 PolarHBondContact O-N 2.93Å; Y180-Y184 VanDerWaalsContact O-CB 3.28Å; Y180-Y184 WeakPolarHBondContact O-CB 3.21Å; Y180-Y184 PolarHBondContact O-N 3.14Å; Y180-Q326 WeakPolarHBondContact CE2-O 3.34Å; Y180-H328 AromaticContact CD1-CE1 3.61Å; Y180-H328 AromaticContact CD1-ND1 3.76Å; Y180-H328 AromaticContact CE1-CE1 3.14Å; Y180-H328 WeakPolarHBondContact CE1-CE1 3.37Å; Y180-H328 AromaticContact CE1-ND1 3.73Å; Y180-H328 AromaticContact CE1-NE2 3.85Å; Y180-H328 AromaticContact CZ-CE1 3.58Å; Y180-H328 AromaticContact CZ-NE2 3.86Å
181E90.2Very high91.6Very high94 Ų9477.8 Ų77.844%0.43938%0.382SS..Hα-helixtrans-61.3-42.2170.8-179.161.7-152.700111.1Q177 I179 Y184 Q185Q177-E181 VanDerWaalsContact O-CB 3.3Å; Q177-E181 WeakPolarHBondContact O-CB 3.48Å; Q177-E181 PolarHBondContact O-N 3.38Å; I179-E181 VanDerWaalsContact C-N 3.32Å; I179-E181 PolarHBondContact O-N 3.13Å; E181-Y184 PolarHBondContact O-N 3.1Å; E181-Q185 WeakPolarHBondContact O-CB 3.49Å; E181-Q185 WeakPolarHBondContact O-CG 3.45Å; E181-Q185 PolarHBondContact O-N 3.01Å; E181-Q185 PolarHBondContact OE1-NE2 3.26Å
182Q92.3Very high92.1Very high94 Ų9477.4 Ų77.444%0.43937%0.371SS..Hα-helixtrans-66.2-41176.8-73.2170.333.600112N178 I179 Y180 Q185 Q186N178-Q182 VanDerWaalsContact O-CG 3.29Å; N178-Q182 WeakPolarHBondContact O-CG 3.47Å; N178-Q182 PolarHBondContact O-N 3.43Å; N178-Q182 PolarHBondContact O-NE2 3.34Å; I179-Q182 WeakPolarHBondContact O-CB 3.18Å; I179-Q182 PolarHBondContact O-N 3.4Å; Y180-Q182 VanDerWaalsContact C-N 3.33Å; Y180-Q182 PolarHBondContact O-N 2.63Å; Q182-Q185 PolarHBondContact O-N 3.38Å; Q182-Q186 WeakPolarHBondContact O-CG 3.45Å; Q182-Q186 PolarHBondContact O-N 3.32Å
183E94.9Very high92.3Very high69 Ų6978.2 Ų78.232%0.32237%0.368SS..Hα-helixtrans-63-43.6175.5-69.4172.9-178.500111.2I179 Y180 Q186 A187 H328 Y329I179-E183 WeakPolarHBondContact CG2-OE1 3.36Å; I179-E183 WeakPolarHBondContact O-CG 3.36Å; I179-E183 PolarHBondContact O-N 3.02Å; Y180-E183 WeakPolarHBondContact CD1-OE2 3.48Å; Y180-E183 PolarHBondContact O-N 2.93Å; E183-Q186 PolarHBondContact O-N 2.89Å; E183-A187 WeakPolarHBondContact O-CB 3.32Å; E183-A187 PolarHBondContact O-N 2.55Å; E183-H328 IonicContact OE2-CE1 3.83Å; E183-H328 IonicContact OE2-ND1 3.8Å; E183-Y329 HydrophobicContact CB-CE1 4.22Å
184Y95Very high92.7Very high81 Ų8176.8 Ų76.832%0.31837%0.366SS..Hα-helixtrans-59.5-47.3174171.9-112.6000112.2Y180 E181 Q186 A187 L188 Y329 I334Y180-Y184 VanDerWaalsContact O-CB 3.28Å; Y180-Y184 WeakPolarHBondContact O-CB 3.21Å; Y180-Y184 PolarHBondContact O-N 3.14Å; E181-Y184 PolarHBondContact O-N 3.1Å; Y184-Q186 VanDerWaalsContact C-N 3.29Å; Y184-Q186 PolarHBondContact O-N 3.4Å; Y184-A187 WeakPolarHBondContact O-CB 3.36Å; Y184-A187 PolarHBondContact O-N 2.94Å; Y184-A187 VanDerWaalsContact O-N 3.16Å; Y184-L188 HydrophobicContact CD1-CD1 4.15Å; Y184-L188 HydrophobicContact CD2-CG 4.48Å; Y184-L188 HydrophobicContact CE1-CD1 3.6Å; Y184-L188 HydrophobicContact CE1-CG 4.22Å; Y184-L188 HydrophobicContact CE2-CD1 4.36Å; Y184-L188 HydrophobicContact CE2-CD2 4.08Å; Y184-L188 HydrophobicContact CE2-CG 4.08Å; Y184-L188 WeakPolarHBondContact O-CG 3.42Å; Y184-L188 PolarHBondContact O-N 2.87Å; Y184-Y329 HydrophobicContact CD2-CG 4.26Å; Y184-I334 HydrophobicContact CD2-CD1 3.71Å; Y184-I334 HydrophobicContact CD2-CG1 4.31Å; Y184-I334 HydrophobicContact CE2-CD1 3.69Å; Y184-I334 HydrophobicContact CE2-CG1 3.77Å
185Q94.3Very high93.1Very high93 Ų9373.2 Ų73.244%0.43535%0.353SS..Hα-helixtrans-62.3-36.5177.8-67.5-68.1-21.200112.1E181 Q182E181-Q185 WeakPolarHBondContact O-CB 3.49Å; E181-Q185 WeakPolarHBondContact O-CG 3.45Å; E181-Q185 PolarHBondContact O-N 3.01Å; E181-Q185 PolarHBondContact OE1-NE2 3.26Å; Q182-Q185 PolarHBondContact O-N 3.38Å
186Q95.9Very high93.3Very high111 Ų11175.6 Ų75.652%0.51935%0.352SS..Hα-helixtrans-69.4-41.9173.4-71.8176.110.300111.7Q182 E183 Y184 L188 I189 Q190Q182-Q186 WeakPolarHBondContact O-CG 3.45Å; Q182-Q186 PolarHBondContact O-N 3.32Å; E183-Q186 PolarHBondContact O-N 2.89Å; Y184-Q186 VanDerWaalsContact C-N 3.29Å; Y184-Q186 PolarHBondContact O-N 3.4Å; Q186-L188 VanDerWaalsContact C-N 3.34Å; Q186-L188 PolarHBondContact O-N 3.37Å; Q186-I189 PolarHBondContact O-N 3.39Å; Q186-I189 VanDerWaalsContact O-N 3.16Å; Q186-Q190 WeakPolarHBondContact O-CG 3.46Å; Q186-Q190 PolarHBondContact O-N 2.69Å
187A95.3Very high93.4Very high1 Ų178.5 Ų78.51%0.00837%0.366CS..Hα-helixtrans-61.9-39.2177.400000112.2E183 Y184 I189 Q190 V191 Y329 I334E183-A187 WeakPolarHBondContact O-CB 3.32Å; E183-A187 PolarHBondContact O-N 2.55Å; Y184-A187 WeakPolarHBondContact O-CB 3.36Å; Y184-A187 PolarHBondContact O-N 2.94Å; Y184-A187 VanDerWaalsContact O-N 3.16Å; A187-I189 PolarHBondContact O-N 3.43Å; A187-Q190 PolarHBondContact O-N 2.93Å; A187-V191 VanDerWaalsContact O-CB 3.24Å; A187-V191 WeakPolarHBondContact O-CB 3.41Å; A187-V191 VanDerWaalsContact O-CG2 3.24Å; A187-V191 WeakPolarHBondContact O-CG2 3.44Å; A187-V191 PolarHBondContact O-N 2.95Å; A187-Y329 HydrophobicContact CB-CD1 4.3Å; A187-Y329 HydrophobicContact CB-CD2 3.96Å; A187-Y329 HydrophobicContact CB-CE1 3.83Å; A187-Y329 HydrophobicContact CB-CE2 3.44Å; A187-Y329 VanDerWaalsContact CB-CE2 3.44Å; A187-Y329 HydrophobicContact CB-CG 4.36Å; A187-I334 HydrophobicContact CB-CD1 3.94Å
188L95.1Very high93.7Very high23 Ų2377.5 Ų77.512%0.1237%0.367CS..Hα-helixtrans-54.8-37.1174.6-75.4171.8000112.7Y184 Q186 K192 I334 K338Y184-L188 HydrophobicContact CD1-CD1 4.15Å; Y184-L188 HydrophobicContact CD2-CG 4.48Å; Y184-L188 HydrophobicContact CE1-CD1 3.6Å; Y184-L188 HydrophobicContact CE1-CG 4.22Å; Y184-L188 HydrophobicContact CE2-CD1 4.36Å; Y184-L188 HydrophobicContact CE2-CD2 4.08Å; Y184-L188 HydrophobicContact CE2-CG 4.08Å; Y184-L188 WeakPolarHBondContact O-CG 3.42Å; Y184-L188 PolarHBondContact O-N 2.87Å; Q186-L188 VanDerWaalsContact C-N 3.34Å; Q186-L188 PolarHBondContact O-N 3.37Å; L188-K192 VanDerWaalsContact O-CB 3.26Å; L188-K192 WeakPolarHBondContact O-CB 2.98Å; L188-K192 PolarHBondContact O-N 2.97Å; L188-I334 HydrophobicContact CD2-CG1 4.21Å; L188-I334 HydrophobicContact CD2-CG2 3.89Å; L188-K338 VanDerWaalsContact CD2-CE 3.45Å
189I95Very high93.9Very high101 Ų10175.2 Ų75.252%0.51835%0.353SS..Hα-helixtrans-77.9-51.7178.7-59.8171000109.8Q186 A187 V191 K192 E193Q186-I189 PolarHBondContact O-N 3.39Å; Q186-I189 VanDerWaalsContact O-N 3.16Å; A187-I189 PolarHBondContact O-N 3.43Å; I189-V191 PolarHBondContact O-N 3.08Å; I189-K192 PolarHBondContact O-N 2.96Å; I189-E193 WeakPolarHBondContact O-CG 3.4Å; I189-E193 PolarHBondContact O-N 2.94Å
190Q95.6Very high93.9Very high116 Ų11671.7 Ų71.754%0.54234%0.336SS..Hα-helixtrans-62.5-43.6-175.7-69175.411.700112.4Q186 A187 E193 K194Q186-Q190 WeakPolarHBondContact O-CG 3.46Å; Q186-Q190 PolarHBondContact O-N 2.69Å; A187-Q190 PolarHBondContact O-N 2.93Å; Q190-E193 PolarHBondContact O-N 2.88Å; Q190-K194 VanDerWaalsContact O-CB 3.31Å; Q190-K194 WeakPolarHBondContact O-CB 3.44Å; Q190-K194 PolarHBondContact O-N 2.73Å
191V94.6Very high93.8Very high9 Ų972.5 Ų72.56%0.05535%0.347CS..Hα-helixtrans-67.2-40.3178.5174.70000110.5A187 I189 E193 K194 I195 E331 I334 K335A187-V191 VanDerWaalsContact O-CB 3.24Å; A187-V191 WeakPolarHBondContact O-CB 3.41Å; A187-V191 VanDerWaalsContact O-CG2 3.24Å; A187-V191 WeakPolarHBondContact O-CG2 3.44Å; A187-V191 PolarHBondContact O-N 2.95Å; I189-V191 PolarHBondContact O-N 3.08Å; V191-E193 PolarHBondContact O-N 3.42Å; V191-K194 PolarHBondContact O-N 2.92Å; V191-I195 HydrophobicContact CG1-CD1 3.77Å; V191-I195 HydrophobicContact CG1-CG1 4.37Å; V191-I195 WeakPolarHBondContact O-CD1 3.47Å; V191-I195 VanDerWaalsContact O-CG1 3.29Å; V191-I195 WeakPolarHBondContact O-CG1 3.41Å; V191-I195 PolarHBondContact O-N 2.81Å; V191-E331 HydrophobicContact CG2-CG 3.88Å; V191-I334 HydrophobicContact CB-CG2 3.78Å; V191-I334 HydrophobicContact CG1-CG2 3.79Å; V191-I334 HydrophobicContact CG2-CG2 4.16Å; V191-K335 HydrophobicContact CG1-CB 4.4Å; V191-K335 HydrophobicContact CG1-CG 3.49Å; V191-K335 VanDerWaalsContact CG1-CG 3.49Å
192K94.7Very high93.9Very high42 Ų4273.1 Ų73.118%0.18335%0.354CS..Hα-helixtrans-59.8-47.2174.9-174.4-177.5177.7178.50111.6L188 I189 I195 R196 K338 E341 V342 E345L188-K192 VanDerWaalsContact O-CB 3.26Å; L188-K192 WeakPolarHBondContact O-CB 2.98Å; L188-K192 PolarHBondContact O-N 2.97Å; I189-K192 PolarHBondContact O-N 2.96Å; K192-I195 PolarHBondContact O-N 3.39Å; K192-R196 WeakPolarHBondContact O-CB 3.29Å; K192-R196 PolarHBondContact O-N 3.46Å; K192-K338 HydrophobicContact CB-CB 4.25Å; K192-K338 HydrophobicContact CB-CD 4.11Å; K192-K338 HydrophobicContact CB-CG 4.23Å; K192-K338 HydrophobicContact CD-CD 4.29Å; K192-K338 HydrophobicContact CG-CD 4.33Å; K192-E341 IonicContact NZ-OE1 3.92Å; K192-E341 PolarHBondContact NZ-OE1 3.04Å; K192-V342 HydrophobicContact CG-CG2 3.66Å; K192-E345 WeakPolarHBondContact CE-OE1 3.39Å; K192-E345 IonicContact NZ-OE1 2.55Å; K192-E345 PolarHBondContact NZ-OE1 2.83Å; K192-E345 IonicContact NZ-OE2 2.81Å
193E94.5Very high93.9Very high112 Ų11270.4 Ų70.452%0.52334%0.341SS..Hα-helixtrans-62-45.2177.1-72.1-180165.400111.2I189 Q190 V191 I195 R196 D197I189-E193 WeakPolarHBondContact O-CG 3.4Å; I189-E193 PolarHBondContact O-N 2.94Å; Q190-E193 PolarHBondContact O-N 2.88Å; V191-E193 PolarHBondContact O-N 3.42Å; E193-I195 PolarHBondContact O-N 3.03Å; E193-R196 WeakPolarHBondContact O-CB 3.24Å; E193-R196 PolarHBondContact O-N 2.97Å; E193-R196 VanDerWaalsContact O-N 3.16Å; E193-D197 PolarHBondContact O-N 3.13Å
194K94.8Very high93.7Very high116 Ų11671.8 Ų71.850%0.50434%0.344SS..Hα-helixtrans-59.7-44.5177.3-171.6178.7176.8-173.80112.5Q190 V191 D197 T198 E331Q190-K194 VanDerWaalsContact O-CB 3.31Å; Q190-K194 WeakPolarHBondContact O-CB 3.44Å; Q190-K194 PolarHBondContact O-N 2.73Å; V191-K194 PolarHBondContact O-N 2.92Å; K194-D197 PolarHBondContact O-N 2.83Å; K194-T198 HydrophobicContact CG-CG2 4.5Å; K194-T198 WeakPolarHBondContact O-CB 3.42Å; K194-T198 WeakPolarHBondContact O-CG2 3.48Å; K194-T198 PolarHBondContact O-N 3.04Å; K194-T198 PolarHBondContact O-OG1 3.36Å; K194-E331 IonicContact NZ-OE1 3.57Å
195I93.2Very high93.5Very high4 Ų473.5 Ų73.52%0.02136%0.355CS..Hα-helixtrans-62.1-45.1175.2-69.2160.4000110.2V191 K192 E193 D197 T198 E199 G200 M203 K335 K338 R339 V342V191-I195 HydrophobicContact CG1-CD1 3.77Å; V191-I195 HydrophobicContact CG1-CG1 4.37Å; V191-I195 WeakPolarHBondContact O-CD1 3.47Å; V191-I195 VanDerWaalsContact O-CG1 3.29Å; V191-I195 WeakPolarHBondContact O-CG1 3.41Å; V191-I195 PolarHBondContact O-N 2.81Å; K192-I195 PolarHBondContact O-N 3.39Å; E193-I195 PolarHBondContact O-N 3.03Å; I195-D197 VanDerWaalsContact C-N 3.25Å; I195-D197 PolarHBondContact O-N 3.2Å; I195-T198 PolarHBondContact O-N 3.09Å; I195-E199 HydrophobicContact CG2-CB 4.24Å; I195-E199 WeakPolarHBondContact O-CA 3.5Å; I195-E199 PolarHBondContact O-N 3.31Å; I195-G200 PolarHBondContact O-N 3.21Å; I195-M203 HydrophobicContact CG2-CE 4.1Å; I195-K335 HydrophobicContact CD1-CB 4.18Å; I195-K335 HydrophobicContact CD1-CG 4.11Å; I195-K338 HydrophobicContact CD1-CB 4.01Å; I195-R339 HydrophobicContact CD1-CG 4.01Å; I195-R339 HydrophobicContact CG1-CG 4.46Å; I195-R339 HydrophobicContact CG2-CG 3.94Å; I195-V342 HydrophobicContact CG2-CB 4.32Å; I195-V342 HydrophobicContact CG2-CG1 4.26Å; I195-V342 HydrophobicContact CG2-CG2 4.36Å
196R92.3Very high93.4Very high139 Ų13971.4 Ų71.453%0.52535%0.353SS..Hα-helixtrans-60.2-37.2179.9-160.2-173.793-178.36112.4K192 E193 G200 V342K192-R196 WeakPolarHBondContact O-CB 3.29Å; K192-R196 PolarHBondContact O-N 3.46Å; E193-R196 WeakPolarHBondContact O-CB 3.24Å; E193-R196 PolarHBondContact O-N 2.97Å; E193-R196 VanDerWaalsContact O-N 3.16Å; R196-G200 WeakPolarHBondContact O-CA 3.43Å; R196-G200 PolarHBondContact O-N 3.47Å; R196-V342 HydrophobicContact CB-CG1 4.22Å; R196-V342 HydrophobicContact CG-CG1 4.18Å
197D93.4Very high93Very high110 Ų11066.6 Ų66.659%0.58833%0.33SS*.Hα-helixtrans-83.9-34.2-177.5-67.9-14.7000112.8E193 K194 I195E193-D197 PolarHBondContact O-N 3.13Å; K194-D197 PolarHBondContact O-N 2.83Å; I195-D197 VanDerWaalsContact C-N 3.25Å; I195-D197 PolarHBondContact O-N 3.2Å
198T92.7Very high92.7Very high85 Ų8568 Ų6852%0.52134%0.337SS..Hα-helixtrans-92.8-50.2-176.455.20000113.5K194 I195K194-T198 HydrophobicContact CG-CG2 4.5Å; K194-T198 WeakPolarHBondContact O-CB 3.42Å; K194-T198 WeakPolarHBondContact O-CG2 3.48Å; K194-T198 PolarHBondContact O-N 3.04Å; K194-T198 PolarHBondContact O-OG1 3.36Å; I195-T198 PolarHBondContact O-N 3.09Å
199E92.4Very high92.4Very high51 Ų5170.9 Ų70.924%0.23835%0.352CS..THydrogen-bonded Turntrans-96-20.8-176.8-55.9178.2-167.500111.8I195 D202 M203 R339I195-E199 HydrophobicContact CG2-CB 4.24Å; I195-E199 WeakPolarHBondContact O-CA 3.5Å; I195-E199 PolarHBondContact O-N 3.31Å; E199-D202 PolarHBondContact O-N 2.91Å; E199-M203 HydrophobicContact CB-CE 3.85Å; E199-M203 VanDerWaalsContact O-CG 3.29Å; E199-M203 WeakPolarHBondContact O-CG 3.32Å; E199-M203 PolarHBondContact O-N 3.41Å; E199-M203 WeakPolarHBondContact OE2-CE 3.4Å; E199-R339 IonicContact OE1-CZ 2.79Å; E199-R339 IonicContact OE1-NE 2.88Å; E199-R339 PolarHBondContact OE1-NE 2.73Å; E199-R339 IonicContact OE1-NH2 2.75Å; E199-R339 PolarHBondContact OE1-NH2 3.27Å; E199-R339 IonicContact OE2-CZ 3.32Å; E199-R339 IonicContact OE2-NE 3.46Å; E199-R339 PolarHBondContact OE2-NE 2.79Å; E199-R339 IonicContact OE2-NH2 3.87Å
200G91.3Very high92Very high3 Ų370.9 Ų70.93%0.03135%0.35CS..Hα-helixtrans-59.5-41-176.300000115.5I195 R196 R204 I346I195-G200 PolarHBondContact O-N 3.21Å; R196-G200 WeakPolarHBondContact O-CA 3.43Å; R196-G200 PolarHBondContact O-N 3.47Å; G200-R204 WeakPolarHBondContact O-CB 3.43Å; G200-R204 PolarHBondContact O-N 3.31Å; G200-I346 VanDerWaalsContact CA-CD1 3.44Å
201P93Very high91.5Very high68 Ų6865.5 Ų65.544%0.44233%0.325SS..Hα-helixtrans-59.3-46.1173.3-24.935.5000112.5R204 E205P201-R204 WeakPolarHBondContact O-CB 3.26Å; P201-R204 PolarHBondContact O-N 3.48Å; P201-E205 PolarHBondContact O-N 3.13Å
202D92.4Very high91Very high108 Ų10869.5 Ų69.558%0.57834%0.339SS*.Hα-helixtrans-65.8-43.4-179.7-61.5-15.3000111.1E199 R204 E205 A206E199-D202 PolarHBondContact O-N 2.91Å; D202-R204 VanDerWaalsContact C-N 3.28Å; D202-R204 PolarHBondContact O-N 2.95Å; D202-E205 PolarHBondContact O-N 2.88Å; D202-A206 VanDerWaalsContact O-CB 3.29Å; D202-A206 WeakPolarHBondContact O-CB 3.44Å; D202-A206 PolarHBondContact O-N 2.69Å
203M91Very high90.6Very high36 Ų3672 Ų7218%0.17735%0.352CS..Hα-helixtrans-58.8-41.2174-71.4178.4-176.600111.7I195 E199 M207 R339 V342 I346I195-M203 HydrophobicContact CG2-CE 4.1Å; E199-M203 HydrophobicContact CB-CE 3.85Å; E199-M203 VanDerWaalsContact O-CG 3.29Å; E199-M203 WeakPolarHBondContact O-CG 3.32Å; E199-M203 PolarHBondContact O-N 3.41Å; E199-M203 WeakPolarHBondContact OE2-CE 3.4Å; M203-M207 HydrophobicContact CB-CE 4.05Å; M203-M207 WeakPolarHBondContact O-CB 3.24Å; M203-M207 WeakPolarHBondContact O-CG 3.24Å; M203-M207 PolarHBondContact O-N 3.41Å; M203-R339 HydrophobicContact CE-CB 4.36Å; M203-R339 HydrophobicContact CE-CG 4.03Å; M203-V342 HydrophobicContact SD-CG1 4.43Å; M203-I346 HydrophobicContact CB-CD1 4.16Å; M203-I346 HydrophobicContact SD-CD1 4.21Å
204R90.5Very high90Very high99 Ų9970.1 Ų70.137%0.37434%0.34SS..Hα-helixtrans-66.1-47.7179.1-177-172.4-69.3174.6-3111.2G200 P201 D202 M207 Q208 I346 V350G200-R204 WeakPolarHBondContact O-CB 3.43Å; G200-R204 PolarHBondContact O-N 3.31Å; P201-R204 WeakPolarHBondContact O-CB 3.26Å; P201-R204 PolarHBondContact O-N 3.48Å; D202-R204 VanDerWaalsContact C-N 3.28Å; D202-R204 PolarHBondContact O-N 2.95Å; R204-M207 PolarHBondContact O-N 3.02Å; R204-Q208 WeakPolarHBondContact O-CB 3.26Å; R204-Q208 VanDerWaalsContact O-CG 3.3Å; R204-Q208 WeakPolarHBondContact O-CG 3.31Å; R204-Q208 PolarHBondContact O-N 3.05Å; R204-I346 HydrophobicContact CB-CG2 3.78Å; R204-I346 HydrophobicContact CG-CG2 4.27Å; R204-V350 HydrophobicContact CB-CG2 4.37Å; R204-V350 HydrophobicContact CG-CG2 3.62Å
205E91.9Very high89.3Confident117 Ų11765.2 Ų65.255%0.54732%0.318SS..Hα-helixtrans-62-49.6179.1-174.5170.9-168.300110.6P201 D202 M207 Q208 D209P201-E205 PolarHBondContact O-N 3.13Å; D202-E205 PolarHBondContact O-N 2.88Å; E205-M207 VanDerWaalsContact C-N 3.34Å; E205-M207 PolarHBondContact O-N 3.29Å; E205-Q208 PolarHBondContact O-N 3.43Å; E205-Q208 VanDerWaalsContact O-N 3.11Å; E205-D209 PolarHBondContact O-N 2.97Å
206A90.8Very high88.7Confident48 Ų4868.8 Ų68.840%0.39734%0.337SS..Hα-helixtrans-57.7-43.8177.100000112.6D202 Q210D202-A206 VanDerWaalsContact O-CB 3.29Å; D202-A206 WeakPolarHBondContact O-CB 3.44Å; D202-A206 PolarHBondContact O-N 2.69Å; A206-Q210 WeakPolarHBondContact O-CB 3.22Å; A206-Q210 VanDerWaalsContact O-CG 3.24Å; A206-Q210 WeakPolarHBondContact O-CG 3.43Å; A206-Q210 PolarHBondContact O-N 3Å
207M88.2Confident88Confident10 Ų1067.2 Ų67.25%0.04934%0.335CS..Hα-helixtrans-66.4-41.1175.7-79.2-170.5-109.200112.4M203 R204 E205 D209 I211 E343 I346 R347 V350M203-M207 HydrophobicContact CB-CE 4.05Å; M203-M207 WeakPolarHBondContact O-CB 3.24Å; M203-M207 WeakPolarHBondContact O-CG 3.24Å; M203-M207 PolarHBondContact O-N 3.41Å; R204-M207 PolarHBondContact O-N 3.02Å; E205-M207 VanDerWaalsContact C-N 3.34Å; E205-M207 PolarHBondContact O-N 3.29Å; M207-D209 VanDerWaalsContact C-N 3.35Å; M207-I211 WeakPolarHBondContact O-CB 3.5Å; M207-I211 WeakPolarHBondContact O-CD1 3.49Å; M207-I211 WeakPolarHBondContact O-CG1 3.27Å; M207-I211 PolarHBondContact O-N 3.4Å; M207-E343 HydrophobicContact CE-CB 4.41Å; M207-E343 HydrophobicContact CE-CG 3.47Å; M207-E343 VanDerWaalsContact CE-CG 3.47Å; M207-E343 HydrophobicContact SD-CG 4.34Å; M207-I346 HydrophobicContact CE-CB 4.17Å; M207-I346 HydrophobicContact CE-CG2 3.87Å; M207-R347 HydrophobicContact SD-CB 3.8Å; M207-R347 HydrophobicContact SD-CG 4.17Å; M207-V350 HydrophobicContact CB-CG1 4.28Å; M207-V350 HydrophobicContact CB-CG2 4.33Å
208Q90Very high87.2Confident32 Ų3263.2 Ų63.215%0.1532%0.316CS..Hα-helixtrans-60.9-45.7176.6-79.5179.8-16.400111.3R204 E205 I211 R212 V350R204-Q208 WeakPolarHBondContact O-CB 3.26Å; R204-Q208 VanDerWaalsContact O-CG 3.3Å; R204-Q208 WeakPolarHBondContact O-CG 3.31Å; R204-Q208 PolarHBondContact O-N 3.05Å; E205-Q208 PolarHBondContact O-N 3.43Å; E205-Q208 VanDerWaalsContact O-N 3.11Å; Q208-I211 PolarHBondContact O-N 2.79Å; Q208-R212 VanDerWaalsContact O-CB 3.25Å; Q208-R212 WeakPolarHBondContact O-CB 3.48Å; Q208-R212 WeakPolarHBondContact O-CG 3.46Å; Q208-R212 PolarHBondContact O-N 3.33Å; Q208-V350 HydrophobicContact CG-CG1 3.71Å; Q208-V350 HydrophobicContact CG-CG2 4.15Å
209D88.8Confident86.2Confident82 Ų8263.7 Ų63.744%0.43931%0.308SS..Hα-helixtrans-66.2-44.8-179.7-73.2-14.3000111.7E205 M207 I211 R212 Q213E205-D209 PolarHBondContact O-N 2.97Å; M207-D209 VanDerWaalsContact C-N 3.35Å; D209-I211 PolarHBondContact O-N 3.16Å; D209-R212 PolarHBondContact O-N 3.37Å; D209-Q213 WeakPolarHBondContact O-CB 3.43Å; D209-Q213 PolarHBondContact O-N 3.45Å
210Q85.6Confident85.4Confident102 Ų10267.2 Ų67.248%0.47733%0.329SS..Hα-helixtrans-58.1-46.4175.4-76.4176.2-5.300112A206 W214 F240A206-Q210 WeakPolarHBondContact O-CB 3.22Å; A206-Q210 VanDerWaalsContact O-CG 3.24Å; A206-Q210 WeakPolarHBondContact O-CG 3.43Å; A206-Q210 PolarHBondContact O-N 3Å; Q210-W214 PolarHBondContact O-N 3.42Å; Q210-F240 HydrophobicContact CB-CE1 4.24Å; Q210-F240 HydrophobicContact CB-CZ 3.82Å
211I84.6Confident84.7Confident2 Ų271.2 Ų71.21%0.0136%0.361CS..Hα-helixtrans-70.9-40.3-179-63.1161.3000110.9M207 Q208 D209 W214 F215 Y228 F240 V350 L354M207-I211 WeakPolarHBondContact O-CB 3.5Å; M207-I211 WeakPolarHBondContact O-CD1 3.49Å; M207-I211 WeakPolarHBondContact O-CG1 3.27Å; M207-I211 PolarHBondContact O-N 3.4Å; Q208-I211 PolarHBondContact O-N 2.79Å; D209-I211 PolarHBondContact O-N 3.16Å; I211-W214 PolarHBondContact O-N 3.14Å; I211-F215 HydrophobicContact CG2-CD2 3.76Å; I211-F215 HydrophobicContact CG2-CE2 3.47Å; I211-F215 VanDerWaalsContact CG2-CE2 3.47Å; I211-F215 WeakPolarHBondContact O-CD2 3.37Å; I211-F215 PolarHBondContact O-N 2.88Å; I211-Y228 HydrophobicContact CG2-CE2 4.13Å; I211-F240 HydrophobicContact CG1-CE2 3.63Å; I211-F240 HydrophobicContact CG1-CZ 4.04Å; I211-V350 HydrophobicContact CD1-CG1 3.71Å; I211-L354 HydrophobicContact CB-CD1 3.48Å; I211-L354 VanDerWaalsContact CB-CD1 3.48Å; I211-L354 HydrophobicContact CD1-CD1 3.6Å; I211-L354 HydrophobicContact CG1-CD1 4.13Å; I211-L354 HydrophobicContact CG2-CD1 3.39Å
212R85.9Confident83.7Confident93 Ų9372.7 Ų72.735%0.35137%0.369SS..Hα-helixtrans-62-45.1176-78.5172.9175.6171.32.3111.2Q208 D209 W214 F215 I216 L354 E357Q208-R212 VanDerWaalsContact O-CB 3.25Å; Q208-R212 WeakPolarHBondContact O-CB 3.48Å; Q208-R212 WeakPolarHBondContact O-CG 3.46Å; Q208-R212 PolarHBondContact O-N 3.33Å; D209-R212 PolarHBondContact O-N 3.37Å; R212-W214 VanDerWaalsContact C-N 3.32Å; R212-W214 PolarHBondContact O-N 3.45Å; R212-F215 PolarHBondContact O-N 3.14Å; R212-I216 WeakPolarHBondContact O-CG1 3.11Å; R212-I216 PolarHBondContact O-N 2.87Å; R212-L354 HydrophobicContact CG-CD2 3.95Å; R212-E357 IonicContact CZ-OE1 3.18Å; R212-E357 IonicContact CZ-OE2 2.68Å; R212-E357 IonicContact NE-OE2 2.65Å; R212-E357 PolarHBondContact NE-OE2 2.86Å; R212-E357 VanDerWaalsContact NE-OE2 3.14Å; R212-E357 VanDerWaalsContact NH2-CD 3.35Å; R212-E357 IonicContact NH2-OE1 3.85Å; R212-E357 PolarHBondContact NH2-OE1 2.93Å; R212-E357 IonicContact NH2-OE2 2.74Å; R212-E357 PolarHBondContact NH2-OE2 3.15Å; R212-E357 VanDerWaalsContact NH2-OE2 3.1Å
213Q84.6Confident82.6Confident96 Ų9670.3 Ų70.345%0.44937%0.37SS..Hα-helixtrans-58-46.7176.1-175.861.423.500110.7D209 F215 I216 E217D209-Q213 WeakPolarHBondContact O-CB 3.43Å; D209-Q213 PolarHBondContact O-N 3.45Å; Q213-F215 VanDerWaalsContact C-N 3.33Å; Q213-F215 PolarHBondContact O-N 3.24Å; Q213-I216 PolarHBondContact O-N 3.03Å; Q213-I216 VanDerWaalsContact O-N 3.16Å; Q213-E217 WeakPolarHBondContact CG-OE1 3.35Å; Q213-E217 PolarHBondContact NE2-OE1 3.15Å; Q213-E217 WeakPolarHBondContact O-CG 3.4Å; Q213-E217 PolarHBondContact O-N 3.31Å
214W82.2Confident81.7Confident71 Ų7175 Ų7527%0.26939%0.39SS..Hα-helixtrans-59-41.4175.8-178.784.2000113Q210 I211 R212 E217 C218 P226 I239Q210-W214 PolarHBondContact O-N 3.42Å; I211-W214 PolarHBondContact O-N 3.14Å; R212-W214 VanDerWaalsContact C-N 3.32Å; R212-W214 PolarHBondContact O-N 3.45Å; W214-E217 PolarHBondContact O-N 2.92Å; W214-C218 VanDerWaalsContact CZ2-SG 3.52Å; W214-C218 WeakPolarHBondContact O-CB 3.32Å; W214-C218 PolarHBondContact O-N 3.28Å; W214-C218 PolarHBondContact O-SG 3.45Å; W214-P226 HydrophobicContact CH2-CB 4.04Å; W214-P226 HydrophobicContact CH2-CG 4.1Å; W214-P226 HydrophobicContact CZ3-CB 4.17Å; W214-P226 HydrophobicContact CZ3-CG 4.14Å; W214-I239 HydrophobicContact CB-CG2 4.35Å; W214-I239 HydrophobicContact CD2-CG2 3.4Å; W214-I239 VanDerWaalsContact CD2-CG2 3.4Å; W214-I239 VanDerWaalsContact CE2-CG2 3.45Å; W214-I239 HydrophobicContact CE3-CD1 4.07Å; W214-I239 HydrophobicContact CE3-CG2 3.97Å; W214-I239 HydrophobicContact CG-CG2 3.55Å; W214-I239 HydrophobicContact CZ2-CG2 4.05Å; W214-I239 HydrophobicContact CZ3-CD1 4.03Å; W214-I239 HydrophobicContact CZ3-CG1 4.49Å; W214-I239 HydrophobicContact CZ3-CG2 4.49Å
215F79.9Confident80.7Confident13 Ų1371.3 Ų71.36%0.05738%0.376CS..Hα-helixtrans-64.9-38.4176.1-83.4-61000113.1I211 R212 Q213 R219 F225 P226 Y228 L358I211-F215 HydrophobicContact CG2-CD2 3.76Å; I211-F215 HydrophobicContact CG2-CE2 3.47Å; I211-F215 VanDerWaalsContact CG2-CE2 3.47Å; I211-F215 WeakPolarHBondContact O-CD2 3.37Å; I211-F215 PolarHBondContact O-N 2.88Å; R212-F215 PolarHBondContact O-N 3.14Å; Q213-F215 VanDerWaalsContact C-N 3.33Å; Q213-F215 PolarHBondContact O-N 3.24Å; F215-R219 WeakPolarHBondContact O-CB 3.33Å; F215-R219 PolarHBondContact O-N 3.29Å; F215-F225 HydrophobicContact CB-CD1 4.46Å; F215-P226 HydrophobicContact CD1-CB 4.5Å; F215-P226 HydrophobicContact CD1-CG 4.28Å; F215-P226 HydrophobicContact CE1-CB 4.24Å; F215-P226 HydrophobicContact CE1-CG 4.5Å; F215-Y228 AromaticContact CE2-CD2 3.6Å; F215-Y228 HydrophobicContact CE2-CD2 3.6Å; F215-Y228 AromaticContact CE2-CE2 3.56Å; F215-Y228 HydrophobicContact CE2-CE2 3.56Å; F215-Y228 AromaticContact CZ-CD2 3.33Å; F215-Y228 HydrophobicContact CZ-CD2 3.33Å; F215-Y228 AromaticContact CZ-CE2 3.76Å; F215-Y228 HydrophobicContact CZ-CE2 3.76Å; F215-Y228 HydrophobicContact CZ-CG 4.14Å; F215-L358 HydrophobicContact CD1-CD1 3.46Å; F215-L358 VanDerWaalsContact CD1-CD1 3.46Å; F215-L358 HydrophobicContact CD2-CD1 4.26Å; F215-L358 HydrophobicContact CE1-CD1 3.38Å; F215-L358 HydrophobicContact CE1-CD2 4.45Å; F215-L358 HydrophobicContact CE2-CD1 4.2Å; F215-L358 HydrophobicContact CG-CD1 3.94Å; F215-L358 HydrophobicContact CZ-CD1 3.81Å
216I80.5Confident79.8Confident80 Ų8067.2 Ų67.241%0.4136%0.36SS..Hα-helixtrans-64.7-50.4176.6-67.4165.4000109.5R212 Q213 C218 R219 D220R212-I216 WeakPolarHBondContact O-CG1 3.11Å; R212-I216 PolarHBondContact O-N 2.87Å; Q213-I216 PolarHBondContact O-N 3.03Å; Q213-I216 VanDerWaalsContact O-N 3.16Å; I216-C218 VanDerWaalsContact C-N 3.34Å; I216-C218 PolarHBondContact O-N 2.71Å; I216-R219 WeakPolarHBondContact O-CB 3.48Å; I216-R219 PolarHBondContact O-N 3.21Å; I216-D220 PolarHBondContact O-N 3.26Å
217E78.4Confident78.9Confident105 Ų10571.4 Ų71.449%0.49138%0.376SS..Hα-helixtrans-60.2-42.6179.2-71.3173.2-17200112.4Q213 W214 R219 D220 A221Q213-E217 WeakPolarHBondContact CG-OE1 3.35Å; Q213-E217 PolarHBondContact NE2-OE1 3.15Å; Q213-E217 WeakPolarHBondContact O-CG 3.4Å; Q213-E217 PolarHBondContact O-N 3.31Å; W214-E217 PolarHBondContact O-N 2.92Å; E217-R219 VanDerWaalsContact C-N 3.32Å; E217-R219 PolarHBondContact O-N 2.83Å; E217-D220 PolarHBondContact O-N 3.46Å; E217-A221 WeakPolarHBondContact O-CB 3.46Å; E217-A221 PolarHBondContact O-N 3.44Å
218C76.9Confident78.4Confident27 Ų2771.8 Ų71.818%0.18238%0.377CS..Hα-helixtrans-63.3-39.4175.5-72.90000111.9W214 I216 A221 T222 P226W214-C218 VanDerWaalsContact CZ2-SG 3.52Å; W214-C218 WeakPolarHBondContact O-CB 3.32Å; W214-C218 PolarHBondContact O-N 3.28Å; W214-C218 PolarHBondContact O-SG 3.45Å; I216-C218 VanDerWaalsContact C-N 3.34Å; I216-C218 PolarHBondContact O-N 2.71Å; C218-A221 PolarHBondContact O-N 2.9Å; C218-T222 WeakPolarHBondContact O-CB 3.45Å; C218-T222 PolarHBondContact O-N 3.43Å; C218-T222 PolarHBondContact O-OG1 2.92Å; C218-P226 HydrophobicContact CB-CG 3.4Å
219R71.8Confident77.8Confident94 Ų9471.4 Ų71.436%0.35538%0.377SS..Hα-helixtrans-66.4-44.6176.7176.6-174.7174.7-163.2-1.3111F215 I216 E217 A221 T222 G223 F225F215-R219 WeakPolarHBondContact O-CB 3.33Å; F215-R219 PolarHBondContact O-N 3.29Å; I216-R219 WeakPolarHBondContact O-CB 3.48Å; I216-R219 PolarHBondContact O-N 3.21Å; E217-R219 VanDerWaalsContact C-N 3.32Å; E217-R219 PolarHBondContact O-N 2.83Å; R219-A221 PolarHBondContact O-N 2.98Å; R219-T222 PolarHBondContact O-N 2.98Å; R219-G223 VanDerWaalsContact O-CA 3.28Å; R219-G223 WeakPolarHBondContact O-CA 3.31Å; R219-G223 PolarHBondContact O-N 3.21Å; R219-F225 HydrophobicContact CB-CD1 4.18Å; R219-F225 HydrophobicContact CB-CE1 4.18Å; R219-F225 HydrophobicContact CG-CE1 4.5Å
220D76.1Confident76.9Confident126 Ų12672.3 Ų72.367%0.67438%0.382SS*.Hα-helixtrans-61.8-34.7180-69.5-14.5000111.1I216 E217I216-D220 PolarHBondContact O-N 3.26Å; E217-D220 PolarHBondContact O-N 3.46Å
221A75.8Confident76.1Confident86 Ų8673.3 Ų73.371%0.71139%0.387SS*.Hα-helixtrans-76.5-38.6175.800000114.4E217 C218 R219E217-A221 WeakPolarHBondContact O-CB 3.46Å; E217-A221 PolarHBondContact O-N 3.44Å; C218-A221 PolarHBondContact O-N 2.9Å; R219-A221 PolarHBondContact O-N 2.98Å
222T71.9Confident75.3Confident100 Ų10081.2 Ų81.261%0.61343%0.429SS*.Hα-helixtrans-111.9-9.8-167.762.60000115.3C218 R219 K224C218-T222 WeakPolarHBondContact O-CB 3.45Å; C218-T222 PolarHBondContact O-N 3.43Å; C218-T222 PolarHBondContact O-OG1 2.92Å; R219-T222 PolarHBondContact O-N 2.98Å; T222-K224 PolarHBondContact O-N 3.43Å; T222-K224 PolarHBondContact OG1-O 3.13Å; T222-K224 VanDerWaalsContact OG1-O 3.09Å
223G70.1Confident74.3Confident58 Ų5883 Ų8360%0.59844%0.441SS*.SBendtrans74.7-1.7-177.100000115.5R219R219-G223 VanDerWaalsContact O-CA 3.28Å; R219-G223 WeakPolarHBondContact O-CA 3.31Å; R219-G223 PolarHBondContact O-N 3.21Å
224K70.8Confident73.5Confident134 Ų13480.4 Ų80.458%0.58344%0.44SS*.SBendtrans-139154.1178.7-70.9-170176.4-168.60111.5T222 P226T222-K224 PolarHBondContact O-N 3.43Å; T222-K224 PolarHBondContact OG1-O 3.13Å; T222-K224 VanDerWaalsContact OG1-O 3.09Å; K224-P226 WeakPolarHBondContact O-CD 3.45Å
225F71Confident73.2Confident21 Ų2177.1 Ų77.19%0.09243%0.428CS..PPolyproline II helixtrans-74.7125.9173.9-75.2-73.4000111.3F215 R219 L358 L361 K362 I365F215-F225 HydrophobicContact CB-CD1 4.46Å; R219-F225 HydrophobicContact CB-CD1 4.18Å; R219-F225 HydrophobicContact CB-CE1 4.18Å; R219-F225 HydrophobicContact CG-CE1 4.5Å; F225-L358 HydrophobicContact CB-CD1 4.16Å; F225-L358 HydrophobicContact CD1-CD1 4.28Å; F225-L358 HydrophobicContact CG-CD1 4.46Å; F225-L361 HydrophobicContact CE2-CB 4.47Å; F225-K362 HydrophobicContact CB-CG 4.39Å; F225-K362 VanDerWaalsContact O-CE 3.22Å; F225-K362 WeakPolarHBondContact O-CE 3.47Å; F225-K362 PolarHBondContact O-NZ 3.38Å; F225-I365 HydrophobicContact CE2-CD1 3.91Å
226P71.7Confident73Confident32 Ų3276.5 Ų76.521%0.20843%0.425CS..PPolyproline II helixtrans-54.1160.7172.4-21.828.2000113.1W214 F215 C218 K224 L358 K362W214-P226 HydrophobicContact CH2-CB 4.04Å; W214-P226 HydrophobicContact CH2-CG 4.1Å; W214-P226 HydrophobicContact CZ3-CB 4.17Å; W214-P226 HydrophobicContact CZ3-CG 4.14Å; F215-P226 HydrophobicContact CD1-CB 4.5Å; F215-P226 HydrophobicContact CD1-CG 4.28Å; F215-P226 HydrophobicContact CE1-CB 4.24Å; F215-P226 HydrophobicContact CE1-CG 4.5Å; C218-P226 HydrophobicContact CB-CG 3.4Å; K224-P226 WeakPolarHBondContact O-CD 3.45Å; P226-L358 WeakPolarHBondContact O-CD2 3.27Å; P226-K362 PolarHBondContact O-NZ 3.3Å
227D72.6Confident72.7Confident136 Ų13674.7 Ų74.773%0.72742%0.422SS*.PPolyproline II helixtrans-79.1139.8167.4-73.1-31.5000110.4K362D227-K362 IonicContact OD1-NZ 2.73Å; D227-K362 PolarHBondContact OD1-NZ 3.09Å
228Y77.2Confident72.4Confident18 Ų1872.7 Ų72.77%0.07142%0.415CS..PPolyproline II helixtrans-73.6132.1177.7-154.2-71.1000109.6I211 F215 S236 D351 L354 R355I211-Y228 HydrophobicContact CG2-CE2 4.13Å; F215-Y228 AromaticContact CE2-CD2 3.6Å; F215-Y228 HydrophobicContact CE2-CD2 3.6Å; F215-Y228 AromaticContact CE2-CE2 3.56Å; F215-Y228 HydrophobicContact CE2-CE2 3.56Å; F215-Y228 AromaticContact CZ-CD2 3.33Å; F215-Y228 HydrophobicContact CZ-CD2 3.33Å; F215-Y228 AromaticContact CZ-CE2 3.76Å; F215-Y228 HydrophobicContact CZ-CE2 3.76Å; F215-Y228 HydrophobicContact CZ-CG 4.14Å; Y228-S236 WeakPolarHBondContact OH-CB 3.35Å; Y228-D351 HydrophobicContact CE1-CB 3.92Å; Y228-D351 WeakPolarHBondContact OH-CA 3.45Å; Y228-D351 VanDerWaalsContact OH-CG 3.3Å; Y228-D351 PolarHBondContact OH-OD1 3.49Å; Y228-L354 HydrophobicContact CD2-CB 4.42Å; Y228-L354 HydrophobicContact CE2-CB 3.61Å; Y228-R355 HydrophobicContact CD1-CB 4.44Å; Y228-R355 HydrophobicContact CD2-CB 4.33Å; Y228-R355 HydrophobicContact CG-CB 4.16Å; Y228-R355 HydrophobicContact CG-CG 4.28Å
229P76.5Confident71.9Confident23 Ų2372.9 Ų72.915%0.14941%0.414CS..PPolyproline II helixtrans-57.9140177.9-24.233.4000113.5G235 I239 R355P229-G235 WeakPolarHBondContact CB-O 3.22Å; P229-I239 HydrophobicContact CG-CD1 4.37Å; P229-I239 HydrophobicContact CG-CG1 4.17Å; P229-R355 PolarHBondContact O-NH2 2.89Å
230D71.3Confident71.5Confident102 Ų10272.5 Ų72.555%0.54542%0.415SS..PPolyproline II helixtrans-70.7152.1178-78.2-30.1000110.9D232 E233 G234 G235D230-D232 PolarHBondContact O-N 2.86Å; D230-E233 PolarHBondContact O-N 3.23Å; D230-G234 PolarHBondContact O-N 3.18Å; D230-G235 PolarHBondContact O-N 2.92Å
231E68.1Low70.8Confident123 Ų12373.6 Ų73.658%0.57541%0.414SS*.G310 helixtrans-56-36.1179.1-68.3176.5177.800112.4E233 G234 R355E231-E233 PolarHBondContact O-N 2.95Å; E231-G234 PolarHBondContact O-N 3.24Å; E231-R355 IonicContact OE1-NH1 3.64Å; E231-R355 PolarHBondContact OE1-NH1 3.46Å
232D67.7Low69.4Low168 Ų16878.6 Ų78.690%0.89842%0.422SS*.G310 helixtrans-66.1-18.9179.5-69.2-32.3000112.9D230D230-D232 PolarHBondContact O-N 2.86Å
233E64.9Low68Low130 Ų13077.6 Ų77.661%0.60741%0.409SS*.G310 helixtrans-97.1-11.2179.7-60-173.4164.700112.4D230 E231 L238D230-E233 PolarHBondContact O-N 3.23Å; E231-E233 PolarHBondContact O-N 2.95Å; E233-L238 HydrophobicContact CB-CD1 3.75Å; E233-L238 WeakPolarHBondContact O-CD1 3.24Å; E233-L238 WeakPolarHBondContact O-CG 3.37Å
234G67.2Low66.7Low41 Ų4178.3 Ų78.342%0.42340%0.402SS..THydrogen-bonded Turntrans107.711.8179.700000115.1D230 E231 A237D230-G234 PolarHBondContact O-N 3.18Å; E231-G234 PolarHBondContact O-N 3.24Å; G234-A237 WeakPolarHBondContact O-CB 3.41Å; G234-A237 PolarHBondContact O-N 3.09Å
235G77.2Confident65.2Low2 Ų277 Ų772%0.02141%0.408CS..G310 helixtrans59.1-140.4170.600000114P229 D230 A237 L238 D351P229-G235 WeakPolarHBondContact CB-O 3.22Å; D230-G235 PolarHBondContact O-N 2.92Å; G235-A237 PolarHBondContact O-N 3.49Å; G235-L238 PolarHBondContact O-N 3.18Å; G235-D351 VanDerWaalsContact CA-OD2 3.29Å; G235-D351 WeakPolarHBondContact CA-OD2 3.34Å
236S74.6Confident64.3Low0 Ų082.7 Ų82.70%043%0.434CS..G310 helixtrans-67.5-16.8177.958.30000114.2Y228 L238 I239 F240 R347 D351Y228-S236 WeakPolarHBondContact OH-CB 3.35Å; S236-L238 PolarHBondContact O-N 3.26Å; S236-I239 VanDerWaalsContact O-CB 3.27Å; S236-I239 WeakPolarHBondContact O-CB 3.3Å; S236-I239 PolarHBondContact O-N 3.36Å; S236-F240 WeakPolarHBondContact O-CD2 3.12Å; S236-R347 VanDerWaalsContact OG-CD 3.31Å; S236-R347 WeakPolarHBondContact OG-CD 3.11Å; S236-R347 WeakPolarHBondContact OG-CG 3.46Å; S236-D351 WeakPolarHBondContact CB-OD1 3.27Å; S236-D351 PolarHBondContact N-OD2 2.86Å; S236-D351 VanDerWaalsContact OG-CG 3.31Å; S236-D351 PolarHBondContact OG-OD1 3.32Å; S236-D351 PolarHBondContact OG-OD2 3.47Å
237A75Confident63.4Low42 Ų4285.9 Ų85.935%0.34745%0.447SS..G310 helixtrans-63.9-23.7176.900000112.4G234 G235 I239 K241G234-A237 WeakPolarHBondContact O-CB 3.41Å; G234-A237 PolarHBondContact O-N 3.09Å; G235-A237 PolarHBondContact O-N 3.49Å; A237-I239 VanDerWaalsContact C-N 3.34Å; A237-K241 PolarHBondContact O-N 3.4Å
238L71Confident62Low64 Ų6483.3 Ų83.334%0.33543%0.432SS..G310 helixtrans-71.9-26.8171.5-84.9174.8000113.5E233 G235 S236E233-L238 HydrophobicContact CB-CD1 3.75Å; E233-L238 WeakPolarHBondContact O-CD1 3.24Å; E233-L238 WeakPolarHBondContact O-CG 3.37Å; G235-L238 PolarHBondContact O-N 3.18Å; S236-L238 PolarHBondContact O-N 3.26Å
239I66.9Low60.7Low30 Ų3087.7 Ų87.715%0.15445%0.454CS..THydrogen-bonded Turntrans-69.8-38.4-177.6-59.6175.7000110W214 P229 S236 A237W214-I239 HydrophobicContact CB-CG2 4.35Å; W214-I239 HydrophobicContact CD2-CG2 3.4Å; W214-I239 VanDerWaalsContact CD2-CG2 3.4Å; W214-I239 VanDerWaalsContact CE2-CG2 3.45Å; W214-I239 HydrophobicContact CE3-CD1 4.07Å; W214-I239 HydrophobicContact CE3-CG2 3.97Å; W214-I239 HydrophobicContact CG-CG2 3.55Å; W214-I239 HydrophobicContact CZ2-CG2 4.05Å; W214-I239 HydrophobicContact CZ3-CD1 4.03Å; W214-I239 HydrophobicContact CZ3-CG1 4.49Å; W214-I239 HydrophobicContact CZ3-CG2 4.49Å; P229-I239 HydrophobicContact CG-CD1 4.37Å; P229-I239 HydrophobicContact CG-CG1 4.17Å; S236-I239 VanDerWaalsContact O-CB 3.27Å; S236-I239 WeakPolarHBondContact O-CB 3.3Å; S236-I239 PolarHBondContact O-N 3.36Å; A237-I239 VanDerWaalsContact C-N 3.34Å
240F63.2Low59.7Low87 Ų8793.4 Ų93.438%0.38247%0.472SS..SBendtrans-104.46.3-176-58.2-74000114.5Q210 I211 S236 E242Q210-F240 HydrophobicContact CB-CE1 4.24Å; Q210-F240 HydrophobicContact CB-CZ 3.82Å; I211-F240 HydrophobicContact CG1-CE2 3.63Å; I211-F240 HydrophobicContact CG1-CZ 4.04Å; S236-F240 WeakPolarHBondContact O-CD2 3.12Å; F240-E242 PolarHBondContact O-N 3.1Å
241K62.2Low59.1Low149 Ų14992.1 Ų92.165%0.64846%0.463SS*.SBendtrans-69.3106.2171.6-146.7174.7-173179.20107A237 K243A237-K241 PolarHBondContact O-N 3.4Å; K241-K243 VanDerWaalsContact C-N 3.33Å; K241-K243 PolarHBondContact O-N 3.29Å
242E45.9Very low58.3Low191 Ų19191.1 Ų91.189%0.89346%0.461SS*.  trans-53.898.8173.8-75.3-171.6161.700109F240F240-E242 PolarHBondContact O-N 3.1Å
243K42.2Very low58Low78 Ų7890.6 Ų90.634%0.33945%0.446SS..  trans-75126.9175.6-74.2178.8177.5-179.30107.1K241 L248 E251K241-K243 VanDerWaalsContact C-N 3.33Å; K241-K243 PolarHBondContact O-N 3.29Å; K243-L248 HydrophobicContact CB-CD1 3.89Å; K243-L248 HydrophobicContact CB-CG 4.08Å; K243-L248 HydrophobicContact CD-CG 4.38Å; K243-E251 VanDerWaalsContact NZ-CD 3.32Å; K243-E251 IonicContact NZ-OE1 3.37Å; K243-E251 PolarHBondContact NZ-OE1 3.21Å; K243-E251 IonicContact NZ-OE2 2.74Å; K243-E251 PolarHBondContact NZ-OE2 3Å
244T43.3Very low58.1Low74 Ų7490.7 Ų90.745%0.45445%0.447SS..  trans-59.3146.7172.253.40000109.9E246 E247 L248T244-E246 PolarHBondContact O-N 2.92Å; T244-E247 PolarHBondContact O-N 3.39Å; T244-E247 WeakPolarHBondContact OG1-CG 3.46Å; T244-E247 PolarHBondContact OG1-OE2 3.23Å; T244-L248 PolarHBondContact O-N 2.66Å
245P40.3Very low57.6Low107 Ų10795.5 Ų95.570%0.69546%0.456SS*.Hα-helixtrans-51.7-32.6-178.4-27.433.6000113.6E249P245-E249 PolarHBondContact O-N 2.91Å; P245-E249 VanDerWaalsContact O-N 3.09Å
246E51.6Low56.5Low139 Ų139100 Ų10065%0.6548%0.48SS*.Hα-helixtrans-72-26178.8-62.8-172.916800114.4T244 R250T244-E246 PolarHBondContact O-N 2.92Å; E246-R250 PolarHBondContact O-N 3.15Å
247E52.1Low55.5Low100 Ų100105 Ų10547%0.46750%0.503SS..Hα-helixtrans-81.8-36.7176-75.8178.8152.100111.3T244 R250 E251T244-E247 PolarHBondContact O-N 3.39Å; T244-E247 WeakPolarHBondContact OG1-CG 3.46Å; T244-E247 PolarHBondContact OG1-OE2 3.23Å; E247-R250 WeakPolarHBondContact O-CB 3.32Å; E247-R250 PolarHBondContact O-N 3.02Å; E247-E251 PolarHBondContact O-N 3.25Å
248L43.8Very low54.3Low81 Ų81106.4 Ų106.442%0.42452%0.515SS..Hα-helixtrans-63.4-43172.3-99.5152.8000112.2K243 T244 R250 E251 L252K243-L248 HydrophobicContact CB-CD1 3.89Å; K243-L248 HydrophobicContact CB-CG 4.08Å; K243-L248 HydrophobicContact CD-CG 4.38Å; T244-L248 PolarHBondContact O-N 2.66Å; L248-R250 VanDerWaalsContact C-N 3.26Å; L248-R250 PolarHBondContact O-N 2.9Å; L248-E251 PolarHBondContact O-N 2.92Å; L248-L252 WeakPolarHBondContact O-CB 3.49Å; L248-L252 WeakPolarHBondContact O-CG 3.48Å; L248-L252 PolarHBondContact O-N 3.01Å
249E49.1Very low53Low111 Ų111107.1 Ų107.152%0.51953%0.525SS..Hα-helixtrans-61.8-34.3172.7-85-16515900112.6P245 R253P245-E249 PolarHBondContact O-N 2.91Å; P245-E249 VanDerWaalsContact O-N 3.09Å; E249-R253 WeakPolarHBondContact O-CB 3.46Å; E249-R253 WeakPolarHBondContact O-CG 3.42Å; E249-R253 PolarHBondContact O-N 3.41Å; E249-R253 VanDerWaalsContact O-N 3.07Å; E249-R253 IonicContact OE2-NH2 3.7Å
250R56.8Low52Low142 Ų142113.4 Ų113.454%0.53655%0.554SS.*Hα-helixtrans-72.3-40.9-179.6-142.2179.2-66.8160.30.1111.2E246 E247 L248 R253 E254E246-R250 PolarHBondContact O-N 3.15Å; E247-R250 WeakPolarHBondContact O-CB 3.32Å; E247-R250 PolarHBondContact O-N 3.02Å; L248-R250 VanDerWaalsContact C-N 3.26Å; L248-R250 PolarHBondContact O-N 2.9Å; R250-R253 PolarHBondContact O-N 3.46Å; R250-E254 WeakPolarHBondContact O-CG 3.43Å; R250-E254 PolarHBondContact O-N 3.11Å
251E57.1Low50.7Low76 Ų76116.4 Ų116.436%0.35557%0.567SS.*Hα-helixtrans-69.6-37.9177.1-123.9-179177.300112.6K243 E247 L248 E254 K255K243-E251 VanDerWaalsContact NZ-CD 3.32Å; K243-E251 IonicContact NZ-OE1 3.37Å; K243-E251 PolarHBondContact NZ-OE1 3.21Å; K243-E251 IonicContact NZ-OE2 2.74Å; K243-E251 PolarHBondContact NZ-OE2 3Å; E247-E251 PolarHBondContact O-N 3.25Å; L248-E251 PolarHBondContact O-N 2.92Å; E251-E254 PolarHBondContact O-N 3.21Å; E251-K255 WeakPolarHBondContact O-CB 3.42Å; E251-K255 PolarHBondContact O-N 2.74Å
252L52.9Low49.2Very low101 Ų101114.1 Ų114.153%0.52957%0.569SS.*Hα-helixtrans-62.7-44.3172.1-81.4161.1000111L248 E254 K255 D256L248-L252 WeakPolarHBondContact O-CB 3.49Å; L248-L252 WeakPolarHBondContact O-CG 3.48Å; L248-L252 PolarHBondContact O-N 3.01Å; L252-E254 VanDerWaalsContact C-N 3.34Å; L252-E254 PolarHBondContact O-N 3.04Å; L252-K255 PolarHBondContact O-N 3.07Å; L252-D256 WeakPolarHBondContact O-CB 3.17Å; L252-D256 PolarHBondContact O-N 3.32Å
253R61.7Low48.3Very low158 Ų158114.7 Ų114.760%0.59657%0.569SS**Hα-helixtrans-62.9-38.2174.4-73.2174.2-167.9-164.99.6112.4E249 R250 E257E249-R253 WeakPolarHBondContact O-CB 3.46Å; E249-R253 WeakPolarHBondContact O-CG 3.42Å; E249-R253 PolarHBondContact O-N 3.41Å; E249-R253 VanDerWaalsContact O-N 3.07Å; E249-R253 IonicContact OE2-NH2 3.7Å; R250-R253 PolarHBondContact O-N 3.46Å; R253-E257 VanDerWaalsContact O-CB 3.32Å; R253-E257 WeakPolarHBondContact O-CB 3.29Å; R253-E257 VanDerWaalsContact O-CG 3.29Å; R253-E257 WeakPolarHBondContact O-CG 3.49Å; R253-E257 PolarHBondContact O-N 3.19Å
254E65.4Low47.8Very low131 Ų131114.9 Ų114.961%0.61259%0.593SS**Hα-helixtrans-71.7-33.9177.1-75.8-176.2174.600112.9R250 E251 L252 A258R250-E254 WeakPolarHBondContact O-CG 3.43Å; R250-E254 PolarHBondContact O-N 3.11Å; E251-E254 PolarHBondContact O-N 3.21Å; L252-E254 VanDerWaalsContact C-N 3.34Å; L252-E254 PolarHBondContact O-N 3.04Å; E254-A258 VanDerWaalsContact O-CB 3.29Å; E254-A258 WeakPolarHBondContact O-CB 3.41Å; E254-A258 PolarHBondContact O-N 3.37Å
255K57.2Low47Very low143 Ų143121.3 Ų121.362%0.62262%0.615SS**Hα-helixtrans-73.6-37.3173.9-80-179175.7173.90112.9E251 L252 E257 A258 S259E251-K255 WeakPolarHBondContact O-CB 3.42Å; E251-K255 PolarHBondContact O-N 2.74Å; L252-K255 PolarHBondContact O-N 3.07Å; K255-E257 VanDerWaalsContact C-N 3.33Å; K255-A258 PolarHBondContact O-N 2.52Å; K255-S259 PolarHBondContact O-N 2.92Å; K255-S259 PolarHBondContact O-OG 2.79Å
256D54.6Low46.2Very low97 Ų97121.4 Ų121.452%0.51962%0.618SS.*Hα-helixtrans-66.2-37.1171.8-73.8-18.8000111.1L252 S259 Q260L252-D256 WeakPolarHBondContact O-CB 3.17Å; L252-D256 PolarHBondContact O-N 3.32Å; D256-S259 WeakPolarHBondContact CA-OG 3.36Å; D256-S259 PolarHBondContact O-OG 3.45Å; D256-S259 VanDerWaalsContact O-OG 3.05Å; D256-Q260 WeakPolarHBondContact O-CG 3.43Å; D256-Q260 PolarHBondContact O-N 2.92Å
257E53.2Low45Very low104 Ų104120.5 Ų120.549%0.48663%0.627SS.*Hα-helixtrans-71.4-32.2173.1-78.8-166.5-163.100113.5R253 K255 K261R253-E257 VanDerWaalsContact O-CB 3.32Å; R253-E257 WeakPolarHBondContact O-CB 3.29Å; R253-E257 VanDerWaalsContact O-CG 3.29Å; R253-E257 WeakPolarHBondContact O-CG 3.49Å; R253-E257 PolarHBondContact O-N 3.19Å; K255-E257 VanDerWaalsContact C-N 3.33Å; E257-K261 WeakPolarHBondContact O-CB 3.47Å; E257-K261 WeakPolarHBondContact O-CD 3.49Å; E257-K261 WeakPolarHBondContact O-CG 3.17Å; E257-K261 PolarHBondContact O-N 3.43Å; E257-K261 IonicContact OE2-NZ 3.18Å; E257-K261 PolarHBondContact OE2-NZ 2.9Å
258A49.1Very low43.7Very low72 Ų72119.2 Ų119.260%0.59564%0.64SS**Hα-helixtrans-74.4-34177.600000112.5E254 K255E254-A258 VanDerWaalsContact O-CB 3.29Å; E254-A258 WeakPolarHBondContact O-CB 3.41Å; E254-A258 PolarHBondContact O-N 3.37Å; K255-A258 PolarHBondContact O-N 2.52Å
259S44.9Very low42.8Very low79 Ų79124.8 Ų124.855%0.55266%0.661SS**Hα-helixtrans-73.7-28174.955.30000112.7K255 D256K255-S259 PolarHBondContact O-N 2.92Å; K255-S259 PolarHBondContact O-OG 2.79Å; D256-S259 WeakPolarHBondContact CA-OG 3.36Å; D256-S259 PolarHBondContact O-OG 3.45Å; D256-S259 VanDerWaalsContact O-OG 3.05Å
260Q44.7Very low41.7Very low161 Ų161127 Ų12775%0.75268%0.676SS**Hα-helixtrans-89.3-11.3176.5-69.5-171.80.300115.6D256 S262D256-Q260 WeakPolarHBondContact O-CG 3.43Å; D256-Q260 PolarHBondContact O-N 2.92Å; Q260-S262 PolarHBondContact O-N 2.93Å
261K37.3Very low40.3Very low151 Ų151130.3 Ų130.366%0.65770%0.695SS**  trans-94.523.6-177.8-80.4171.8-177158.30115.7E257E257-K261 WeakPolarHBondContact O-CB 3.47Å; E257-K261 WeakPolarHBondContact O-CD 3.49Å; E257-K261 WeakPolarHBondContact O-CG 3.17Å; E257-K261 PolarHBondContact O-N 3.43Å; E257-K261 IonicContact OE2-NZ 3.18Å; E257-K261 PolarHBondContact OE2-NZ 2.9Å
262S31.1Very low38.9Very low101 Ų101131.9 Ų131.971%0.70672%0.715SS**SBendtrans-102.928.9170.768.20000114.2Q260Q260-S262 PolarHBondContact O-N 2.93Å
263K26.7Very low37.8Very low202 Ų202136.6 Ų136.688%0.87873%0.731SS**SBendtrans-157.4120.9162.6-105.4167.9-172.4177.50110
264G30.8Very low36.3Very low83 Ų83135.1 Ų135.186%0.85674%0.741SS**  trans109.796.6164.500000116.4
265K26.1Very low34.5Very low209 Ų209133.5 Ų133.591%0.90975%0.745SS**  trans-76.9130.9153.7-92176.2173.5172.60108.8
266S24.9Very low33.3Very low109 Ų109132.4 Ų132.476%0.76275%0.752SS**  159.2138113.960.10000114.4
267S24.7Very low32Very low119 Ų119137.3 Ų137.383%0.83277%0.769SS**  trans74.3118.7150.574.60000121.6
268G25.5Very low30.8Very low73 Ų73142.1 Ų142.175%0.75379%0.788SS**  95.998.4129.600000119.1
269K25.7Very low29.6Very low199 Ų199145.8 Ų145.887%0.86580%0.798SS**  167.8132.4115.9-102.4173172.9169.70113.8
270N25.2Very low28.9Very low156 Ų156148.8 Ų148.883%0.83481%0.808SS**  trans7.9115.9149-67.4-15.5000118.7
271K28.4Very low28.1Very low212 Ų212151.4 Ų151.492%0.92282%0.817SS**  trans-103.699154.7-88.5-175.7175.91780110.1
272S27Very low27.9Very low110 Ų110152.3 Ų152.377%0.76982%0.823SS**  trans-64130.3155.144.30000109.8
273K30.3Very low27.8Very low199 Ų199156.9 Ų156.987%0.86583%0.831SS**  trans-61.4133.6170.5-71.4173174.8174.50110.2S275K273-S275 PolarHBondContact O-N 2.87Å
274P29.1Very low27.9Very low127 Ų127157.4 Ų157.483%0.82583%0.833SS**  trans-81.4109.1157.524-12.5000108
275S27.1Very low27.8Very low97 Ų97162.7 Ų162.768%0.67883%0.832SS**  trans-62.8134.7160.247.40000109.5K273 K277K273-S275 PolarHBondContact O-N 2.87Å; S275-K277 PolarHBondContact O-N 3.13Å; S275-K277 VanDerWaalsContact O-N 3.16Å
276P33.4Very low27.9Very low121 Ų121163.2 Ų163.279%0.78683%0.834SS**  trans-68.7116.4172.427.5-29.9000108.8K278P276-K278 PolarHBondContact O-N 3.49Å
277K26.1Very low28.2Very low200 Ų200160.8 Ų160.887%0.8783%0.827SS**  trans-62.799.5164.8-79.5-179.9175.5176.20107.9S275 N279S275-K277 PolarHBondContact O-N 3.13Å; S275-K277 VanDerWaalsContact O-N 3.16Å; K277-N279 VanDerWaalsContact C-N 3.33Å; K277-N279 PolarHBondContact O-N 2.82Å; K277-N279 VanDerWaalsContact O-N 3.13Å
278K27.8Very low28.5Very low205 Ų205163.6 Ų163.689%0.89183%0.827SS**  trans-7392.8158-88-173.3171.8-175.50108P276P276-K278 PolarHBondContact O-N 3.49Å
279N25Very low29Very low149 Ų149169.8 Ų169.880%0.79784%0.836SS**  trans-77.4106151.7-96.7-9.8000106.9K277K277-N279 VanDerWaalsContact C-N 3.33Å; K277-N279 PolarHBondContact O-N 2.82Å; K277-N279 VanDerWaalsContact O-N 3.13Å
280D31.1Very low29.7Very low142 Ų142167.9 Ų167.976%0.75983%0.83SS**  trans-153.993.1144.4-111.4-25.1000109.3Q282D280-Q282 VanDerWaalsContact C-N 3.27Å; D280-Q282 PolarHBondContact O-N 2.89Å; D280-Q282 VanDerWaalsContact O-N 3.16Å
281K27.9Very low30.6Very low215 Ų215166.9 Ų166.994%0.93583%0.83SS**  trans-76.183.7161.3-87.7-179.9173.5175.60107.2K283K281-K283 PolarHBondContact O-N 3.16Å
282Q31.8Very low31.7Very low171 Ų171166.3 Ų166.380%0.79983%0.831SS**  trans-74.8104.7160.1-87.7-177.1-3.600109.1D280 K284D280-Q282 VanDerWaalsContact C-N 3.27Å; D280-Q282 PolarHBondContact O-N 2.89Å; D280-Q282 VanDerWaalsContact O-N 3.16Å; Q282-K284 PolarHBondContact O-N 3.43Å; Q282-K284 VanDerWaalsContact O-N 3.16Å
283K30Very low33.4Very low197 Ų197163.7 Ų163.786%0.85782%0.821SS**  trans-47.4113.2159.7-97.4172.8168.2173.80108.7K281 K285K281-K283 PolarHBondContact O-N 3.16Å; K283-K285 VanDerWaalsContact C-N 3.28Å; K283-K285 PolarHBondContact O-N 2.91Å
284K27.4Very low35.2Very low213 Ų213159.8 Ų159.893%0.92680%0.804SS**  trans-63.291.8158.1-95.9-178.6171-178.60108Q282 K286Q282-K284 PolarHBondContact O-N 3.43Å; Q282-K284 VanDerWaalsContact O-N 3.16Å; K284-K286 PolarHBondContact O-N 3.3Å
285K30.5Very low37.6Very low194 Ų194162.9 Ų162.984%0.84381%0.805SS**  trans-67.7117.7156.5-102.4-178171.3-176.10106.5K283 G287K283-K285 VanDerWaalsContact C-N 3.28Å; K283-K285 PolarHBondContact O-N 2.91Å; K285-G287 VanDerWaalsContact C-N 3.33Å; K285-G287 PolarHBondContact O-N 2.93Å; K285-G287 VanDerWaalsContact O-N 3.09Å
286K28.1Very low39.8Very low219 Ų219166.7 Ų166.795%0.95281%0.809SS**  trans-62.999.7157.2-79.4179.6170.9-176.70106K284K284-K286 PolarHBondContact O-N 3.3Å
287G29.6Very low41.9Very low59 Ų59165.9 Ų165.961%0.60881%0.807SS**  trans-127.9118.6171.900000106.7K285K285-G287 VanDerWaalsContact C-N 3.33Å; K285-G287 PolarHBondContact O-N 2.93Å; K285-G287 VanDerWaalsContact O-N 3.09Å
288E31.2Very low44.6Very low177 Ų177162.5 Ų162.583%0.82781%0.805SS**  trans38.8118.7156.1-70.4162178.200117.9E290E288-E290 PolarHBondContact O-N 3.44Å
289E36.9Very low47.2Very low204 Ų204156 Ų15695%0.95379%0.786SS**  trans-61.372.2160.2-72.1175.9154.200109.2T291E289-T291 PolarHBondContact O-N 3.05Å
290E40.7Very low49.9Very low158 Ų158151.5 Ų151.574%0.73877%0.769SS**  trans-61.5114.9152-76.4-174.1163.500105.3E288 E292E288-E290 PolarHBondContact O-N 3.44Å; E290-E292 PolarHBondContact O-N 3.47Å
291T43.5Very low52.5Low136 Ų136148.3 Ų148.383%0.83475%0.749SS**  trans-38.7109.9170.846.40000108.5E289 G293E289-T291 PolarHBondContact O-N 3.05Å; T291-G293 PolarHBondContact O-N 3.38Å
292E50.7Low55.3Low199 Ų199142.2 Ų142.293%0.9373%0.726SS**  trans-62.986.1-173.5-81.2-168.7151.500109.4E290E290-E292 PolarHBondContact O-N 3.47Å
293G62.7Low58Low55 Ų55137.6 Ų137.657%0.56772%0.717SS**PPolyproline II helixtrans-63.6148.2171.400000109.4T291 K295T291-G293 PolarHBondContact O-N 3.38Å; G293-K295 PolarHBondContact O-N 3.06Å; G293-K295 VanDerWaalsContact O-N 3.08Å
294F69.6Low60.7Low118 Ų118132 Ų13252%0.51869%0.694SS.*PPolyproline II helixtrans-58116.6178.5179.9-97.1000110.9L4 F296L4-F294 HydrophobicContact CD1-CD1 3.79Å; L4-F294 HydrophobicContact CD1-CD2 3.66Å; L4-F294 HydrophobicContact CD1-CE1 3.75Å; L4-F294 HydrophobicContact CD1-CE2 3.61Å; L4-F294 HydrophobicContact CD1-CG 3.74Å; L4-F294 HydrophobicContact CD1-CZ 3.66Å; L4-F294 HydrophobicContact CD2-CB 4.37Å; L4-F294 HydrophobicContact CD2-CD2 3.69Å; L4-F294 HydrophobicContact CD2-CE2 4.19Å; L4-F294 HydrophobicContact CD2-CG 4.11Å; L4-F294 HydrophobicContact CG-CD2 3.81Å; L4-F294 HydrophobicContact CG-CE2 3.8Å; L4-F294 HydrophobicContact CG-CG 4.32Å; L4-F294 HydrophobicContact CG-CZ 4.31Å; F294-F296 HydrophobicContact CD1-CD1 4.4Å; F294-F296 HydrophobicContact CD1-CE1 4.38Å; F294-F296 HydrophobicContact CE1-CD1 4.05Å; F294-F296 HydrophobicContact CE1-CE1 4.24Å; F294-F296 HydrophobicContact CE1-CG 4.49Å
295K79.3Confident63.7Low191 Ų191126.6 Ų126.683%0.8367%0.674SS**PPolyproline II helixtrans-83.3118.8175.5-70.7-176-179.9176.20110.4G293G293-K295 PolarHBondContact O-N 3.06Å; G293-K295 VanDerWaalsContact O-N 3.08Å
296F72.6Confident66.7Low177 Ų177123 Ų12378%0.77666%0.66SS**PPolyproline II helixtrans-64.9141.2174.4-70.1-82.3000111.5F294F294-F296 HydrophobicContact CD1-CD1 4.4Å; F294-F296 HydrophobicContact CD1-CE1 4.38Å; F294-F296 HydrophobicContact CE1-CD1 4.05Å; F294-F296 HydrophobicContact CE1-CE1 4.24Å; F294-F296 HydrophobicContact CE1-CG 4.49Å
297S77.4Confident69.8Low105 Ų105118.2 Ų118.273%0.73464%0.641SS**PPolyproline II helixtrans-64.5148168.4-54.20000110.3S299S297-S299 PolarHBondContact O-N 3.36Å
298P82.6Confident72.8Confident129 Ų129117.3 Ų117.384%0.83863%0.631SS**PPolyproline II helixtrans-57.6136.4172.823.6-32.2000110.4A300P298-A300 PolarHBondContact O-N 2.94Å
299S82.9Confident75.8Confident68 Ų68111.9 Ų111.948%0.47661%0.612SS.*PPolyproline II helixtrans-67.8131.6-179169.70000111S297 F301 L302S297-S299 PolarHBondContact O-N 3.36Å; S299-F301 PolarHBondContact O-N 3.11Å; S299-F301 PolarHBondContact OG-N 3.42Å; S299-F301 VanDerWaalsContact OG-N 3.17Å; S299-L302 PolarHBondContact O-N 3.3Å; S299-L302 PolarHBondContact OG-N 3.35Å
300A81.8Confident78.6Confident54 Ų54107.7 Ų107.745%0.44659%0.592SS.*THydrogen-bonded Turntrans-69.1-1117500000113.5P298 K470P298-A300 PolarHBondContact O-N 2.94Å; A300-K470 HydrophobicContact CB-CB 4.01Å; A300-K470 HydrophobicContact CB-CD 4.1Å; A300-K470 HydrophobicContact CB-CG 4.2Å; A300-K470 PolarHBondContact O-NZ 3.48Å
301F85Confident81Confident76 Ų76103.6 Ų103.633%0.33358%0.576SS.*THydrogen-bonded Turntrans-107.5-9.4-176.7-58-84.7000112.8S299 A303 E304 I305 K470S299-F301 PolarHBondContact O-N 3.11Å; S299-F301 PolarHBondContact OG-N 3.42Å; S299-F301 VanDerWaalsContact OG-N 3.17Å; F301-A303 VanDerWaalsContact C-N 3.31Å; F301-A303 PolarHBondContact O-N 2.81Å; F301-E304 PolarHBondContact O-N 2.9Å; F301-I305 WeakPolarHBondContact O-CG1 3.3Å; F301-I305 PolarHBondContact O-N 3.37Å; F301-K470 HydrophobicContact CD1-CD 3.72Å; F301-K470 HydrophobicContact CE1-CB 4.21Å; F301-K470 HydrophobicContact CE1-CD 3.37Å; F301-K470 HydrophobicContact CE1-CG 4.4Å; F301-K470 HydrophobicContact CE2-CB 4.22Å; F301-K470 HydrophobicContact CE2-CD 4.38Å; F301-K470 HydrophobicContact CG-CD 4.38Å; F301-K470 HydrophobicContact CZ-CB 3.71Å; F301-K470 HydrophobicContact CZ-CD 3.74Å; F301-K470 HydrophobicContact CZ-CG 4.38Å
302L87.9Confident83.3Confident87 Ų87103.7 Ų103.746%0.45556%0.562SS.*Hα-helixtrans-61.7-39.6-174.9-175.761.9000112.3S299 E304 I305 H306S299-L302 PolarHBondContact O-N 3.3Å; S299-L302 PolarHBondContact OG-N 3.35Å; L302-E304 PolarHBondContact O-N 2.7Å; L302-I305 PolarHBondContact O-N 2.75Å; L302-H306 PolarHBondContact O-CD2 3.16Å; L302-H306 PolarHBondContact O-N 2.93Å
303A88.5Confident85.3Confident74 Ų7499.8 Ų99.861%0.61254%0.544SS*.Hα-helixtrans-61.7-42.317700000112.4F301 I305 H306 E307F301-A303 VanDerWaalsContact C-N 3.31Å; F301-A303 PolarHBondContact O-N 2.81Å; A303-I305 VanDerWaalsContact C-N 3.35Å; A303-H306 PolarHBondContact O-N 3.34Å; A303-E307 WeakPolarHBondContact O-CB 3.28Å; A303-E307 PolarHBondContact O-N 2.83Å
304E86.5Confident86.5Confident80 Ų80100.3 Ų100.337%0.37454%0.542SS..Hα-helixtrans-66.9-36.7176.8-75.6173.6-179.100112F301 L302 E307 G308 K470F301-E304 PolarHBondContact O-N 2.9Å; L302-E304 PolarHBondContact O-N 2.7Å; E304-E307 PolarHBondContact O-N 3.37Å; E304-G308 PolarHBondContact O-N 2.88Å; E304-K470 WeakPolarHBondContact OE1-CE 3.46Å; E304-K470 IonicContact OE1-NZ 3.45Å; E304-K470 PolarHBondContact OE1-NZ 3.29Å; E304-K470 IonicContact OE2-NZ 2.71Å; E304-K470 PolarHBondContact OE2-NZ 3.13Å
305I90.3Very high87.2Confident99 Ų9998.9 Ų98.951%0.50854%0.539SS..Hα-helixtrans-63.9-44.8174.4-66.2170.1000109.8F301 L302 A303 E307 G308 C309F301-I305 WeakPolarHBondContact O-CG1 3.3Å; F301-I305 PolarHBondContact O-N 3.37Å; L302-I305 PolarHBondContact O-N 2.75Å; A303-I305 VanDerWaalsContact C-N 3.35Å; I305-E307 PolarHBondContact O-N 3.27Å; I305-G308 PolarHBondContact O-N 3.42Å; I305-C309 WeakPolarHBondContact O-CB 3.41Å; I305-C309 PolarHBondContact O-N 2.81Å; I305-C309 PolarHBondContact O-SG 3.16Å
306H93.5Very high87.5Confident117 Ų11795 Ų9554%0.54252%0.52SS..Hα-helixtrans-62.9-41.7176.4-76.9-63.1000112.5L302 A303 C309 H310L302-H306 PolarHBondContact O-CD2 3.16Å; L302-H306 PolarHBondContact O-N 2.93Å; A303-H306 PolarHBondContact O-N 3.34Å; H306-C309 PolarHBondContact O-N 3.48Å; H306-H310 WeakPolarHBondContact O-CB 3.02Å; H306-H310 PolarHBondContact O-N 2.93Å
307E93.1Very high88.2Confident120 Ų12092.9 Ų92.956%0.56151%0.51SS*.Hα-helixtrans-61.6-45.5174.4-174.5-179.817600111.3A303 E304 I305 C309 H310 N311A303-E307 WeakPolarHBondContact O-CB 3.28Å; A303-E307 PolarHBondContact O-N 2.83Å; E304-E307 PolarHBondContact O-N 3.37Å; I305-E307 PolarHBondContact O-N 3.27Å; E307-C309 PolarHBondContact O-N 3.01Å; E307-H310 WeakPolarHBondContact O-CB 3.14Å; E307-H310 PolarHBondContact O-N 3.22Å; E307-N311 WeakPolarHBondContact O-CB 3.48Å; E307-N311 VanDerWaalsContact O-CG 3.24Å; E307-N311 PolarHBondContact O-N 3.16Å
308G92.8Very high88.7Confident39 Ų3994.6 Ų94.640%0.40251%0.511SS..Hα-helixtrans-60.3-42.5174.600000112.8E304 I305 N311 Y312E304-G308 PolarHBondContact O-N 2.88Å; I305-G308 PolarHBondContact O-N 3.42Å; G308-N311 PolarHBondContact O-N 2.77Å; G308-Y312 WeakPolarHBondContact O-CB 3.36Å; G308-Y312 PolarHBondContact O-N 3.41Å
309C94Very high88.8Confident64 Ų6491.7 Ų91.743%0.43248%0.483SS..Hα-helixtrans-62.8-41.7173.8-72.10000112.1I305 H306 E307 Y312 Q313I305-C309 WeakPolarHBondContact O-CB 3.41Å; I305-C309 PolarHBondContact O-N 2.81Å; I305-C309 PolarHBondContact O-SG 3.16Å; H306-C309 PolarHBondContact O-N 3.48Å; E307-C309 PolarHBondContact O-N 3.01Å; C309-Y312 PolarHBondContact O-N 3.01Å; C309-Q313 VanDerWaalsContact O-CG 3.3Å; C309-Q313 WeakPolarHBondContact O-CG 3.31Å; C309-Q313 PolarHBondContact O-N 2.96Å
310H94.8Very high88.8Confident115 Ų11594.6 Ų94.653%0.53249%0.494SS..Hα-helixtrans-64.3-45.3176.5179.7-86.6000111.2H306 E307 Y312 Q313 A314H306-H310 WeakPolarHBondContact O-CB 3.02Å; H306-H310 PolarHBondContact O-N 2.93Å; E307-H310 WeakPolarHBondContact O-CB 3.14Å; E307-H310 PolarHBondContact O-N 3.22Å; H310-Y312 VanDerWaalsContact C-N 3.31Å; H310-Y312 PolarHBondContact O-N 3.11Å; H310-Q313 PolarHBondContact O-N 3.3Å; H310-Q313 VanDerWaalsContact O-N 3.11Å; H310-A314 WeakPolarHBondContact O-CB 3.45Å; H310-A314 PolarHBondContact O-N 3.41Å
311N91.2Very high88.9Confident72 Ų7295.8 Ų95.839%0.38549%0.49SS..Hα-helixtrans-61.1-40.9176.9-69.9-10.7000111.5E307 G308 A314 L315E307-N311 WeakPolarHBondContact O-CB 3.48Å; E307-N311 VanDerWaalsContact O-CG 3.24Å; E307-N311 PolarHBondContact O-N 3.16Å; G308-N311 PolarHBondContact O-N 2.77Å; N311-A314 PolarHBondContact O-N 3.37Å; N311-L315 WeakPolarHBondContact O-CB 3.19Å; N311-L315 PolarHBondContact O-N 3.43Å
312Y91.8Very high88.9Confident138 Ų13895.5 Ų95.554%0.54150%0.498SS..Iπ-helixtrans-60.6-46.7172176.5-96.2000111.9G308 C309 H310 A314 W316 K317G308-Y312 WeakPolarHBondContact O-CB 3.36Å; G308-Y312 PolarHBondContact O-N 3.41Å; C309-Y312 PolarHBondContact O-N 3.01Å; H310-Y312 VanDerWaalsContact C-N 3.31Å; H310-Y312 PolarHBondContact O-N 3.11Å; Y312-A314 VanDerWaalsContact C-N 3.34Å; Y312-A314 PolarHBondContact O-N 2.9Å; Y312-W316 HydrophobicContact CD2-CB 3.51Å; Y312-W316 HydrophobicContact CD2-CG 4.25Å; Y312-W316 HydrophobicContact CE2-CB 3.74Å; Y312-W316 HydrophobicContact CG-CB 4.29Å; Y312-W316 CarbonylContact O-C 3.56Å; Y312-W316 WeakPolarHBondContact O-CA 3.18Å; Y312-W316 WeakPolarHBondContact O-CB 3.36Å; Y312-W316 PolarHBondContact O-N 3.37Å; Y312-K317 HydrophobicContact CE1-CB 4.46Å; Y312-K317 PolarHBondContact O-N 3.1Å
313Q92.1Very high88.8Confident118 Ų11898.9 Ų98.955%0.55152%0.516SS*.Iπ-helixtrans-64.5-36.8179.8-74.2175.4-1.200113.3C309 H310 K317C309-Q313 VanDerWaalsContact O-CG 3.3Å; C309-Q313 WeakPolarHBondContact O-CG 3.31Å; C309-Q313 PolarHBondContact O-N 2.96Å; H310-Q313 PolarHBondContact O-N 3.3Å; H310-Q313 VanDerWaalsContact O-N 3.11Å; Q313-K317 WeakPolarHBondContact O-CB 3.39Å
314A88Confident88.7Confident65 Ų6597 Ų9754%0.53750%0.496SS..Iπ-helixtrans-77.6-43-178.300000112.7H310 N311 Y312H310-A314 WeakPolarHBondContact O-CB 3.45Å; H310-A314 PolarHBondContact O-N 3.41Å; N311-A314 PolarHBondContact O-N 3.37Å; Y312-A314 VanDerWaalsContact C-N 3.34Å; Y312-A314 PolarHBondContact O-N 2.9Å
315L84.8Confident88.6Confident88 Ų88102 Ų10246%0.46152%0.517SS..Iπ-helixtrans-104.4-42.3-170.5-64.1170.8000113.6N311 R319N311-L315 WeakPolarHBondContact O-CB 3.19Å; N311-L315 PolarHBondContact O-N 3.43Å; L315-R319 WeakPolarHBondContact O-CD 3.48Å; L315-R319 WeakPolarHBondContact O-CG 3.34Å
316W85.8Confident88.3Confident110 Ų110103.1 Ų103.142%0.41752%0.52SS..Iπ-helixtrans-100.2-28.3-166.5-68.4102.2000113.9Y312 N318 R319 E321 I333Y312-W316 HydrophobicContact CD2-CB 3.51Å; Y312-W316 HydrophobicContact CD2-CG 4.25Å; Y312-W316 HydrophobicContact CE2-CB 3.74Å; Y312-W316 HydrophobicContact CG-CB 4.29Å; Y312-W316 CarbonylContact O-C 3.56Å; Y312-W316 WeakPolarHBondContact O-CA 3.18Å; Y312-W316 WeakPolarHBondContact O-CB 3.36Å; Y312-W316 PolarHBondContact O-N 3.37Å; W316-N318 VanDerWaalsContact C-N 3.25Å; W316-N318 PolarHBondContact O-N 3.2Å; W316-R319 PolarHBondContact O-N 3.12Å; W316-E321 HydrophobicContact CZ3-CG 4.32Å; W316-I333 HydrophobicContact CH2-CD1 3.9Å; W316-I333 HydrophobicContact CZ2-CD1 4.26Å; W316-I333 HydrophobicContact CZ3-CD1 4.47Å
317K88.3Confident87.9Confident132 Ų132104.4 Ų104.457%0.57453%0.526SS*.THydrogen-bonded Turntrans-57.8-35.7-174-177.9-177.1176.2-172.10113.8Y312 Q313Y312-K317 HydrophobicContact CE1-CB 4.46Å; Y312-K317 PolarHBondContact O-N 3.1Å; Q313-K317 WeakPolarHBondContact O-CB 3.39Å
318N87.3Confident87.7Confident142 Ų142101.7 Ų101.776%0.75951%0.513SS*.THydrogen-bonded Turntrans-106.61.6-174.9-60.2-25.5000113.2W316W316-N318 VanDerWaalsContact C-N 3.25Å; W316-N318 PolarHBondContact O-N 3.2Å
319R84.7Confident87.6Confident67 Ų67104.1 Ų104.125%0.25351%0.511SS..  trans-88.9129.7175.2-80.3-172169.3143.6-1.3109.4L315 W316 E336L315-R319 WeakPolarHBondContact O-CD 3.48Å; L315-R319 WeakPolarHBondContact O-CG 3.34Å; W316-R319 PolarHBondContact O-N 3.12Å; R319-E336 IonicContact NH2-OE1 3.94Å; R319-E336 PolarHBondContact NH2-OE1 3.13Å; R319-E336 IonicContact NH2-OE2 3.08Å; R319-E336 PolarHBondContact NH2-OE2 3.15Å
320D83.6Confident87.4Confident129 Ų129103.6 Ų103.669%0.6950%0.504SS*.  trans-86.7110.9175.8-170.94.7000109.8S322D320-S322 WeakPolarHBondContact OD1-CB 3.4Å; D320-S322 PolarHBondContact OD1-N 3.16Å; D320-S322 PolarHBondContact OD1-OG 3.12Å
321E82.7Confident87.1Confident80 Ų80101.5 Ų101.537%0.37449%0.494SS..  trans-99.911176.6-92.4-120.7138.700112.5W316 D323 N324W316-E321 HydrophobicContact CZ3-CG 4.32Å; E321-D323 PolarHBondContact O-N 3Å; E321-D323 VanDerWaalsContact O-N 3.13Å; E321-N324 PolarHBondContact O-N 3.01Å; E321-N324 PolarHBondContact OE1-ND2 3.2Å
322S85.4Confident87Confident70 Ų70102.1 Ų102.149%0.4950%0.495SS..THydrogen-bonded Turntrans-59.3-30-173.7-58.70000113.5D320 F325D320-S322 WeakPolarHBondContact OD1-CB 3.4Å; D320-S322 PolarHBondContact OD1-N 3.16Å; D320-S322 PolarHBondContact OD1-OG 3.12Å; S322-F325 WeakPolarHBondContact O-CD2 3.4Å; S322-F325 WeakPolarHBondContact O-CE2 3.47Å; S322-F325 WeakPolarHBondContact O-CZ 3.42Å
323D85Confident86.8Confident158 Ų15898 Ų9885%0.84548%0.482SS*.THydrogen-bonded Turntrans-88.3-12.5179.2-66.7-29.7000113.4E321 F325E321-D323 PolarHBondContact O-N 3Å; E321-D323 VanDerWaalsContact O-N 3.13Å; D323-F325 VanDerWaalsContact C-N 3.34Å; D323-F325 PolarHBondContact O-N 3.18Å
324N87Confident86.8Confident34 Ų3492.6 Ų92.618%0.18246%0.456CS..  trans-93.148.8-176.7-165.717.5000112.9E321 Q326 Q327 H328E321-N324 PolarHBondContact O-N 3.01Å; E321-N324 PolarHBondContact OE1-ND2 3.2Å; N324-Q326 PolarHBondContact O-N 3.2Å; N324-Q326 VanDerWaalsContact O-N 3.13Å; N324-Q327 PolarHBondContact O-N 2.83Å; N324-Q327 WeakPolarHBondContact OD1-CA 3.44Å; N324-Q327 PolarHBondContact OD1-N 2.97Å; N324-H328 PolarHBondContact ND2-O 2.82Å; N324-H328 PolarHBondContact OD1-N 3.21Å
325F84.7Confident87Confident185 Ų18591.2 Ų91.281%0.81144%0.438SS*.THydrogen-bonded Turntrans-59.3-28-179.8-70.3-75.6000114S322 D323 Q327S322-F325 WeakPolarHBondContact O-CD2 3.4Å; S322-F325 WeakPolarHBondContact O-CE2 3.47Å; S322-F325 WeakPolarHBondContact O-CZ 3.42Å; D323-F325 VanDerWaalsContact C-N 3.34Å; D323-F325 PolarHBondContact O-N 3.18Å; F325-Q327 VanDerWaalsContact C-N 3.3Å
326Q84.7Confident87.3Confident123 Ų12391.5 Ų91.558%0.57544%0.437SS*.THydrogen-bonded Turntrans-82.2-8.2177.8-67-172.15.100112.7Y180 N324 H328Y180-Q326 WeakPolarHBondContact CE2-O 3.34Å; N324-Q326 PolarHBondContact O-N 3.2Å; N324-Q326 VanDerWaalsContact O-N 3.13Å; Q326-H328 VanDerWaalsContact C-N 3.33Å; Q326-H328 PolarHBondContact OE1-NE2 3.32Å
327Q85.1Confident87.5Confident143 Ų14390.6 Ų90.667%0.66844%0.44SS*.  trans57.145.1-178.6-55.7-176.1-17.600112.6N324 F325N324-Q327 PolarHBondContact O-N 2.83Å; N324-Q327 WeakPolarHBondContact OD1-CA 3.44Å; N324-Q327 PolarHBondContact OD1-N 2.97Å; F325-Q327 VanDerWaalsContact C-N 3.3Å
328H88.8Confident87.8Confident63 Ų6385.7 Ų85.729%0.29242%0.419SS..PPolyproline II helixtrans-68.7164.2168-77.2-70.3000110.7Y180 E183 N324 Q326Y180-H328 AromaticContact CD1-CE1 3.61Å; Y180-H328 AromaticContact CD1-ND1 3.76Å; Y180-H328 AromaticContact CE1-CE1 3.14Å; Y180-H328 WeakPolarHBondContact CE1-CE1 3.37Å; Y180-H328 AromaticContact CE1-ND1 3.73Å; Y180-H328 AromaticContact CE1-NE2 3.85Å; Y180-H328 AromaticContact CZ-CE1 3.58Å; Y180-H328 AromaticContact CZ-NE2 3.86Å; E183-H328 IonicContact OE2-CE1 3.83Å; E183-H328 IonicContact OE2-ND1 3.8Å; N324-H328 PolarHBondContact ND2-O 2.82Å; N324-H328 PolarHBondContact OD1-N 3.21Å; Q326-H328 VanDerWaalsContact C-N 3.33Å; Q326-H328 PolarHBondContact OE1-NE2 3.32Å
329Y90.6Very high88Confident90 Ų9082.9 Ų82.935%0.35340%0.398SS..PPolyproline II helixtrans-65.7146.7174.864.4-92.4000111.3E183 Y184 A187 I334E183-Y329 HydrophobicContact CB-CE1 4.22Å; Y184-Y329 HydrophobicContact CD2-CG 4.26Å; A187-Y329 HydrophobicContact CB-CD1 4.3Å; A187-Y329 HydrophobicContact CB-CD2 3.96Å; A187-Y329 HydrophobicContact CB-CE1 3.83Å; A187-Y329 HydrophobicContact CB-CE2 3.44Å; A187-Y329 VanDerWaalsContact CB-CE2 3.44Å; A187-Y329 HydrophobicContact CB-CG 4.36Å; Y329-I334 HydrophobicContact CD2-CD1 3.46Å; Y329-I334 VanDerWaalsContact CD2-CD1 3.46Å; Y329-I334 HydrophobicContact CE2-CD1 4.13Å; Y329-I334 HydrophobicContact CG-CD1 4.05Å
330D88.4Confident88.3Confident54 Ų5484.8 Ų84.829%0.28941%0.413SS..PPolyproline II helixtrans-90.3116.7172.4-176-20.5000109.3E332 I333 I334D330-E332 VanDerWaalsContact C-N 3.27Å; D330-E332 PolarHBondContact O-N 2.74Å; D330-E332 PolarHBondContact OD1-N 3.37Å; D330-I333 HydrophobicContact CB-CB 4.37Å; D330-I333 HydrophobicContact CB-CD1 3.8Å; D330-I333 HydrophobicContact CB-CG1 3.74Å; D330-I333 PolarHBondContact O-N 3.08Å; D330-I334 PolarHBondContact O-N 2.88Å
331E89.3Confident88.8Confident70 Ų7082 Ų8233%0.32740%0.395SS..Hα-helixtrans-63.4-32-178.2-159-170.4152.700111.9V191 K194 I334 K335V191-E331 HydrophobicContact CG2-CG 3.88Å; K194-E331 IonicContact NZ-OE1 3.57Å; E331-I334 PolarHBondContact O-N 2.84Å; E331-K335 VanDerWaalsContact O-CG 3.31Å; E331-K335 WeakPolarHBondContact O-CG 3.09Å; E331-K335 PolarHBondContact O-N 2.81Å; E331-K335 WeakPolarHBondContact OE1-CE 3.48Å; E331-K335 IonicContact OE1-NZ 3.69Å; E331-K335 PolarHBondContact OE1-NZ 2.85Å
332E88.3Confident89.3Confident85 Ų8578.2 Ų78.240%0.39738%0.378SS..Hα-helixtrans-71.5-36-178.4-66.2-55.9125.300111.8D330 I334 K335 E336D330-E332 VanDerWaalsContact C-N 3.27Å; D330-E332 PolarHBondContact O-N 2.74Å; D330-E332 PolarHBondContact OD1-N 3.37Å; E332-I334 VanDerWaalsContact C-N 3.31Å; E332-I334 PolarHBondContact O-N 2.74Å; E332-K335 PolarHBondContact O-N 3.39Å; E332-K335 WeakPolarHBondContact OE1-CD 3.46Å; E332-K335 IonicContact OE1-NZ 2.75Å; E332-K335 PolarHBondContact OE1-NZ 2.98Å; E332-E336 WeakPolarHBondContact O-CG 3.45Å; E332-E336 PolarHBondContact O-N 2.8Å
333I88.7Confident89.5Confident53 Ų5377.9 Ų77.927%0.27237%0.368SS..Hα-helixtrans-61.8-44.1173.6-55-169.5000110.4W316 D330 K335 E336 D337W316-I333 HydrophobicContact CH2-CD1 3.9Å; W316-I333 HydrophobicContact CZ2-CD1 4.26Å; W316-I333 HydrophobicContact CZ3-CD1 4.47Å; D330-I333 HydrophobicContact CB-CB 4.37Å; D330-I333 HydrophobicContact CB-CD1 3.8Å; D330-I333 HydrophobicContact CB-CG1 3.74Å; D330-I333 PolarHBondContact O-N 3.08Å; I333-K335 VanDerWaalsContact C-N 3.32Å; I333-E336 PolarHBondContact O-N 3.06Å; I333-D337 PolarHBondContact O-N 3.4Å
334I92.3Very high89.7Confident4 Ų474.2 Ų74.22%0.02135%0.352CS..Hα-helixtrans-63.5-42.9176.9-64.1175.1000110Y184 A187 L188 V191 Y329 D330 E331 E332 D337 K338Y184-I334 HydrophobicContact CD2-CD1 3.71Å; Y184-I334 HydrophobicContact CD2-CG1 4.31Å; Y184-I334 HydrophobicContact CE2-CD1 3.69Å; Y184-I334 HydrophobicContact CE2-CG1 3.77Å; A187-I334 HydrophobicContact CB-CD1 3.94Å; L188-I334 HydrophobicContact CD2-CG1 4.21Å; L188-I334 HydrophobicContact CD2-CG2 3.89Å; V191-I334 HydrophobicContact CB-CG2 3.78Å; V191-I334 HydrophobicContact CG1-CG2 3.79Å; V191-I334 HydrophobicContact CG2-CG2 4.16Å; Y329-I334 HydrophobicContact CD2-CD1 3.46Å; Y329-I334 VanDerWaalsContact CD2-CD1 3.46Å; Y329-I334 HydrophobicContact CE2-CD1 4.13Å; Y329-I334 HydrophobicContact CG-CD1 4.05Å; D330-I334 PolarHBondContact O-N 2.88Å; E331-I334 PolarHBondContact O-N 2.84Å; E332-I334 VanDerWaalsContact C-N 3.31Å; E332-I334 PolarHBondContact O-N 2.74Å; I334-D337 PolarHBondContact O-N 3.23Å; I334-K338 HydrophobicContact CG2-CG 3.95Å; I334-K338 VanDerWaalsContact O-CB 3.28Å; I334-K338 WeakPolarHBondContact O-CB 3.37Å; I334-K338 VanDerWaalsContact O-CG 3.25Å; I334-K338 WeakPolarHBondContact O-CG 3.2Å; I334-K338 PolarHBondContact O-N 2.97Å
335K92.5Very high89.9Confident35 Ų3576 Ų7615%0.15236%0.359CS..Hα-helixtrans-61.7-46.5178.6-74.2171.3-172.6158.60111.9V191 I195 E331 E332 I333 D337 K338 R339V191-K335 HydrophobicContact CG1-CB 4.4Å; V191-K335 HydrophobicContact CG1-CG 3.49Å; V191-K335 VanDerWaalsContact CG1-CG 3.49Å; I195-K335 HydrophobicContact CD1-CB 4.18Å; I195-K335 HydrophobicContact CD1-CG 4.11Å; E331-K335 VanDerWaalsContact O-CG 3.31Å; E331-K335 WeakPolarHBondContact O-CG 3.09Å; E331-K335 PolarHBondContact O-N 2.81Å; E331-K335 WeakPolarHBondContact OE1-CE 3.48Å; E331-K335 IonicContact OE1-NZ 3.69Å; E331-K335 PolarHBondContact OE1-NZ 2.85Å; E332-K335 PolarHBondContact O-N 3.39Å; E332-K335 WeakPolarHBondContact OE1-CD 3.46Å; E332-K335 IonicContact OE1-NZ 2.75Å; E332-K335 PolarHBondContact OE1-NZ 2.98Å; I333-K335 VanDerWaalsContact C-N 3.32Å; K335-D337 PolarHBondContact O-N 2.65Å; K335-K338 PolarHBondContact O-N 3.09Å; K335-R339 VanDerWaalsContact O-CB 3.23Å; K335-R339 WeakPolarHBondContact O-CB 3.46Å; K335-R339 WeakPolarHBondContact O-CG 3.12Å; K335-R339 PolarHBondContact O-N 3.15Å
336E89.9Confident90.2Very high95 Ų9567.4 Ų67.444%0.44432%0.322SS..Hα-helixtrans-57.3-47.9178.4-74.8172172.300112R319 E332 I333R319-E336 IonicContact NH2-OE1 3.94Å; R319-E336 PolarHBondContact NH2-OE1 3.13Å; R319-E336 IonicContact NH2-OE2 3.08Å; R319-E336 PolarHBondContact NH2-OE2 3.15Å; E332-E336 WeakPolarHBondContact O-CG 3.45Å; E332-E336 PolarHBondContact O-N 2.8Å; I333-E336 PolarHBondContact O-N 3.06Å
337D90.9Very high90.4Very high90 Ų9064.1 Ų64.148%0.48130%0.304SS..Hα-helixtrans-67.4-45.5178.7-174.254.3000112I333 I334 K335 L340 E341I333-D337 PolarHBondContact O-N 3.4Å; I334-D337 PolarHBondContact O-N 3.23Å; K335-D337 PolarHBondContact O-N 2.65Å; D337-L340 PolarHBondContact O-N 3.21Å; D337-E341 PolarHBondContact O-N 3.37Å
338K93.4Very high90.5Very high30 Ų3061.5 Ų61.513%0.1330%0.297CS..Hα-helixtrans-74.5-26.9-177.3-64-64.8160-165.30113.8L188 K192 I195 I334 K335 L340 E341 V342L188-K338 VanDerWaalsContact CD2-CE 3.45Å; K192-K338 HydrophobicContact CB-CB 4.25Å; K192-K338 HydrophobicContact CB-CD 4.11Å; K192-K338 HydrophobicContact CB-CG 4.23Å; K192-K338 HydrophobicContact CD-CD 4.29Å; K192-K338 HydrophobicContact CG-CD 4.33Å; I195-K338 HydrophobicContact CD1-CB 4.01Å; I334-K338 HydrophobicContact CG2-CG 3.95Å; I334-K338 VanDerWaalsContact O-CB 3.28Å; I334-K338 WeakPolarHBondContact O-CB 3.37Å; I334-K338 VanDerWaalsContact O-CG 3.25Å; I334-K338 WeakPolarHBondContact O-CG 3.2Å; I334-K338 PolarHBondContact O-N 2.97Å; K335-K338 PolarHBondContact O-N 3.09Å; K338-L340 VanDerWaalsContact C-N 3.32Å; K338-L340 PolarHBondContact O-N 3.47Å; K338-E341 WeakPolarHBondContact CD-OE2 3.36Å; K338-E341 IonicContact NZ-OE2 3.96Å; K338-E341 PolarHBondContact NZ-OE2 3.14Å; K338-E341 PolarHBondContact O-N 3.03Å; K338-V342 WeakPolarHBondContact O-CB 3.5Å; K338-V342 VanDerWaalsContact O-CG2 3.3Å; K338-V342 WeakPolarHBondContact O-CG2 3.3Å; K338-V342 PolarHBondContact O-N 3.32Å
339R92.7Very high90.5Very high82 Ų8262.5 Ų62.531%0.30930%0.302SS..Hα-helixtrans-58.1-45.3170.6-83.4175.1-179.21454.5111I195 E199 M203 K335 E341 V342 E343I195-R339 HydrophobicContact CD1-CG 4.01Å; I195-R339 HydrophobicContact CG1-CG 4.46Å; I195-R339 HydrophobicContact CG2-CG 3.94Å; E199-R339 IonicContact OE1-CZ 2.79Å; E199-R339 IonicContact OE1-NE 2.88Å; E199-R339 PolarHBondContact OE1-NE 2.73Å; E199-R339 IonicContact OE1-NH2 2.75Å; E199-R339 PolarHBondContact OE1-NH2 3.27Å; E199-R339 IonicContact OE2-CZ 3.32Å; E199-R339 IonicContact OE2-NE 3.46Å; E199-R339 PolarHBondContact OE2-NE 2.79Å; E199-R339 IonicContact OE2-NH2 3.87Å; M203-R339 HydrophobicContact CE-CB 4.36Å; M203-R339 HydrophobicContact CE-CG 4.03Å; K335-R339 VanDerWaalsContact O-CB 3.23Å; K335-R339 WeakPolarHBondContact O-CB 3.46Å; K335-R339 WeakPolarHBondContact O-CG 3.12Å; K335-R339 PolarHBondContact O-N 3.15Å; R339-E341 PolarHBondContact O-N 3.47Å; R339-V342 PolarHBondContact O-N 2.87Å; R339-E343 VanDerWaalsContact O-CB 3.23Å; R339-E343 WeakPolarHBondContact O-CB 3.36Å; R339-E343 PolarHBondContact O-N 3.09Å
340L91.2Very high90.4Very high108 Ų10858.2 Ų58.257%0.56529%0.286SS*.Hα-helixtrans-62.6-43.3177.3-65.8170.7000111.6D337 K338 E343 T344D337-L340 PolarHBondContact O-N 3.21Å; K338-L340 VanDerWaalsContact C-N 3.32Å; K338-L340 PolarHBondContact O-N 3.47Å; L340-E343 PolarHBondContact O-N 3.49Å; L340-T344 WeakPolarHBondContact O-CG2 3.37Å; L340-T344 PolarHBondContact O-N 3.42Å; L340-T344 PolarHBondContact O-OG1 3.28Å
341E92.3Very high90.3Very high70 Ų7056.2 Ų56.233%0.32728%0.275SS..Hα-helixtrans-62-48.3177.1-165.4-178.6158.400111.2K192 D337 K338 R339 T344 E345K192-E341 IonicContact NZ-OE1 3.92Å; K192-E341 PolarHBondContact NZ-OE1 3.04Å; D337-E341 PolarHBondContact O-N 3.37Å; K338-E341 WeakPolarHBondContact CD-OE2 3.36Å; K338-E341 IonicContact NZ-OE2 3.96Å; K338-E341 PolarHBondContact NZ-OE2 3.14Å; K338-E341 PolarHBondContact O-N 3.03Å; R339-E341 PolarHBondContact O-N 3.47Å; E341-T344 PolarHBondContact O-N 3.13Å; E341-T344 PolarHBondContact O-OG1 3.42Å; E341-E345 PolarHBondContact O-N 3.08Å; E341-E345 VanDerWaalsContact O-N 3.12Å
342V93Very high90.2Very high0 Ų056.3 Ų56.30%028%0.275CS..Hα-helixtrans-64.3-41177.8172.20000111.7K192 I195 R196 M203 K338 R339 T344 E345 I346K192-V342 HydrophobicContact CG-CG2 3.66Å; I195-V342 HydrophobicContact CG2-CB 4.32Å; I195-V342 HydrophobicContact CG2-CG1 4.26Å; I195-V342 HydrophobicContact CG2-CG2 4.36Å; R196-V342 HydrophobicContact CB-CG1 4.22Å; R196-V342 HydrophobicContact CG-CG1 4.18Å; M203-V342 HydrophobicContact SD-CG1 4.43Å; K338-V342 WeakPolarHBondContact O-CB 3.5Å; K338-V342 VanDerWaalsContact O-CG2 3.3Å; K338-V342 WeakPolarHBondContact O-CG2 3.3Å; K338-V342 PolarHBondContact O-N 3.32Å; R339-V342 PolarHBondContact O-N 2.87Å; V342-T344 VanDerWaalsContact C-N 3.31Å; V342-T344 PolarHBondContact O-N 2.99Å; V342-E345 PolarHBondContact O-N 3.13Å; V342-I346 HydrophobicContact CG1-CD1 3.58Å; V342-I346 HydrophobicContact CG1-CG1 4.17Å; V342-I346 WeakPolarHBondContact O-CB 3.34Å; V342-I346 WeakPolarHBondContact O-CG1 3.32Å; V342-I346 PolarHBondContact O-N 2.94Å
343E90.8Very high90.2Very high63 Ų6355.7 Ų55.729%0.29427%0.274SS..Hα-helixtrans-58.5-44.1176.4-169.2-167.7152.900110.6M207 R339 L340 E345 I346 R347M207-E343 HydrophobicContact CE-CB 4.41Å; M207-E343 HydrophobicContact CE-CG 3.47Å; M207-E343 VanDerWaalsContact CE-CG 3.47Å; M207-E343 HydrophobicContact SD-CG 4.34Å; R339-E343 VanDerWaalsContact O-CB 3.23Å; R339-E343 WeakPolarHBondContact O-CB 3.36Å; R339-E343 PolarHBondContact O-N 3.09Å; L340-E343 PolarHBondContact O-N 3.49Å; E343-E345 PolarHBondContact O-N 2.93Å; E343-I346 PolarHBondContact O-N 3.35Å; E343-R347 VanDerWaalsContact O-CB 3.28Å; E343-R347 WeakPolarHBondContact O-CB 3.3Å; E343-R347 PolarHBondContact O-N 3.46Å; E343-R347 IonicContact OE1-CZ 3.9Å; E343-R347 IonicContact OE1-NH2 3.14Å; E343-R347 PolarHBondContact OE1-NH2 2.55Å
344T89.1Confident90.1Very high81 Ų8153.4 Ų53.450%0.49726%0.262SS..Hα-helixtrans-65.5-38.3176.761.70000112.9L340 E341 V342 R347 V348L340-T344 WeakPolarHBondContact O-CG2 3.37Å; L340-T344 PolarHBondContact O-N 3.42Å; L340-T344 PolarHBondContact O-OG1 3.28Å; E341-T344 PolarHBondContact O-N 3.13Å; E341-T344 PolarHBondContact O-OG1 3.42Å; V342-T344 VanDerWaalsContact C-N 3.31Å; V342-T344 PolarHBondContact O-N 2.99Å; T344-R347 PolarHBondContact O-N 2.91Å; T344-V348 WeakPolarHBondContact O-CG2 3.29Å; T344-V348 PolarHBondContact O-N 3.23Å
345E91.1Very high89.8Confident71 Ų7154.7 Ų54.733%0.33227%0.267SS..Hα-helixtrans-66-43.2175.7-71.7179.5-176.800112.1K192 E341 V342 E343 V348 Q349K192-E345 WeakPolarHBondContact CE-OE1 3.39Å; K192-E345 IonicContact NZ-OE1 2.55Å; K192-E345 PolarHBondContact NZ-OE1 2.83Å; K192-E345 IonicContact NZ-OE2 2.81Å; E341-E345 PolarHBondContact O-N 3.08Å; E341-E345 VanDerWaalsContact O-N 3.12Å; V342-E345 PolarHBondContact O-N 3.13Å; E343-E345 PolarHBondContact O-N 2.93Å; E345-V348 PolarHBondContact O-N 3.22Å; E345-Q349 PolarHBondContact O-N 2.82Å
346I90.5Very high89.4Confident5 Ų557.3 Ų57.33%0.02628%0.28CS..Hα-helixtrans-66.4-40.6177.1-68.6172000110.2G200 M203 R204 M207 V342 E343 V348 Q349 V350G200-I346 VanDerWaalsContact CA-CD1 3.44Å; M203-I346 HydrophobicContact CB-CD1 4.16Å; M203-I346 HydrophobicContact SD-CD1 4.21Å; R204-I346 HydrophobicContact CB-CG2 3.78Å; R204-I346 HydrophobicContact CG-CG2 4.27Å; M207-I346 HydrophobicContact CE-CB 4.17Å; M207-I346 HydrophobicContact CE-CG2 3.87Å; V342-I346 HydrophobicContact CG1-CD1 3.58Å; V342-I346 HydrophobicContact CG1-CG1 4.17Å; V342-I346 WeakPolarHBondContact O-CB 3.34Å; V342-I346 WeakPolarHBondContact O-CG1 3.32Å; V342-I346 PolarHBondContact O-N 2.94Å; E343-I346 PolarHBondContact O-N 3.35Å; I346-V348 VanDerWaalsContact C-N 3.3Å; I346-V348 PolarHBondContact O-N 3.3Å; I346-Q349 WeakPolarHBondContact O-CA 3.43Å; I346-Q349 WeakPolarHBondContact O-CB 3.47Å; I346-Q349 PolarHBondContact O-N 3.1Å; I346-V350 HydrophobicContact CG2-CG2 4Å; I346-V350 WeakPolarHBondContact O-CG2 3.4Å; I346-V350 PolarHBondContact O-N 3.31Å
347R89Confident89.1Confident55 Ų5556 Ų5621%0.20827%0.273CS..Hα-helixtrans-56.7-42.9177.9-173.3168.6-71161.64.7111.9M207 S236 E343 T344 Q349 V350 D351M207-R347 HydrophobicContact SD-CB 3.8Å; M207-R347 HydrophobicContact SD-CG 4.17Å; S236-R347 VanDerWaalsContact OG-CD 3.31Å; S236-R347 WeakPolarHBondContact OG-CD 3.11Å; S236-R347 WeakPolarHBondContact OG-CG 3.46Å; E343-R347 VanDerWaalsContact O-CB 3.28Å; E343-R347 WeakPolarHBondContact O-CB 3.3Å; E343-R347 PolarHBondContact O-N 3.46Å; E343-R347 IonicContact OE1-CZ 3.9Å; E343-R347 IonicContact OE1-NH2 3.14Å; E343-R347 PolarHBondContact OE1-NH2 2.55Å; T344-R347 PolarHBondContact O-N 2.91Å; R347-Q349 VanDerWaalsContact C-N 3.29Å; R347-Q349 PolarHBondContact O-N 3.43Å; R347-V350 PolarHBondContact O-N 2.75Å; R347-D351 WeakPolarHBondContact O-CB 3.33Å; R347-D351 PolarHBondContact O-N 3.03Å; R347-D351 VanDerWaalsContact O-OD1 3.09Å
348V88Confident88.6Confident87 Ų8752.2 Ų52.253%0.52725%0.254SS..Hα-helixtrans-60.4-39.4175.4174.60000111.8T344 E345 I346 E352T344-V348 WeakPolarHBondContact O-CG2 3.29Å; T344-V348 PolarHBondContact O-N 3.23Å; E345-V348 PolarHBondContact O-N 3.22Å; I346-V348 VanDerWaalsContact C-N 3.3Å; I346-V348 PolarHBondContact O-N 3.3Å; V348-E352 PolarHBondContact O-N 2.87Å
349Q88.8Confident88Confident85 Ų8555.9 Ų55.940%0.39727%0.267SS..Hα-helixtrans-68.6-43177.4-61.8171.524.100111.8E345 I346 R347 D351 E352 L353E345-Q349 PolarHBondContact O-N 2.82Å; I346-Q349 WeakPolarHBondContact O-CA 3.43Å; I346-Q349 WeakPolarHBondContact O-CB 3.47Å; I346-Q349 PolarHBondContact O-N 3.1Å; R347-Q349 VanDerWaalsContact C-N 3.29Å; R347-Q349 PolarHBondContact O-N 3.43Å; Q349-D351 VanDerWaalsContact C-N 3.34Å; Q349-E352 PolarHBondContact O-N 3.19Å; Q349-L353 WeakPolarHBondContact O-CG 3.46Å; Q349-L353 PolarHBondContact O-N 3.41Å; Q349-L353 VanDerWaalsContact O-N 3.15Å
350V88.4Confident87.5Confident0 Ų057.1 Ų57.10%028%0.279CS..Hα-helixtrans-61.5-44.7176.2170.80000110.4R204 M207 Q208 I211 I346 R347 E352 L353 L354R204-V350 HydrophobicContact CB-CG2 4.37Å; R204-V350 HydrophobicContact CG-CG2 3.62Å; M207-V350 HydrophobicContact CB-CG1 4.28Å; M207-V350 HydrophobicContact CB-CG2 4.33Å; Q208-V350 HydrophobicContact CG-CG1 3.71Å; Q208-V350 HydrophobicContact CG-CG2 4.15Å; I211-V350 HydrophobicContact CD1-CG1 3.71Å; I346-V350 HydrophobicContact CG2-CG2 4Å; I346-V350 WeakPolarHBondContact O-CG2 3.4Å; I346-V350 PolarHBondContact O-N 3.31Å; R347-V350 PolarHBondContact O-N 2.75Å; V350-E352 VanDerWaalsContact C-N 3.35Å; V350-E352 PolarHBondContact O-N 3.47Å; V350-L353 PolarHBondContact O-N 3.32Å; V350-L354 HydrophobicContact CG1-CD1 3.52Å; V350-L354 HydrophobicContact CG1-CG 4.1Å; V350-L354 WeakPolarHBondContact O-CB 3.25Å; V350-L354 WeakPolarHBondContact O-CG 3.22Å; V350-L354 PolarHBondContact O-N 3.15Å
351D86.9Confident86.9Confident11 Ų1155.5 Ų55.56%0.05927%0.271CS..Hα-helixtrans-60.1-44.3-179.9-73.98.7000111.9Y228 G235 S236 R347 Q349 L354 R355Y228-D351 HydrophobicContact CE1-CB 3.92Å; Y228-D351 WeakPolarHBondContact OH-CA 3.45Å; Y228-D351 VanDerWaalsContact OH-CG 3.3Å; Y228-D351 PolarHBondContact OH-OD1 3.49Å; G235-D351 VanDerWaalsContact CA-OD2 3.29Å; G235-D351 WeakPolarHBondContact CA-OD2 3.34Å; S236-D351 WeakPolarHBondContact CB-OD1 3.27Å; S236-D351 PolarHBondContact N-OD2 2.86Å; S236-D351 VanDerWaalsContact OG-CG 3.31Å; S236-D351 PolarHBondContact OG-OD1 3.32Å; S236-D351 PolarHBondContact OG-OD2 3.47Å; R347-D351 WeakPolarHBondContact O-CB 3.33Å; R347-D351 PolarHBondContact O-N 3.03Å; R347-D351 VanDerWaalsContact O-OD1 3.09Å; Q349-D351 VanDerWaalsContact C-N 3.34Å; D351-L354 PolarHBondContact O-N 3.38Å; D351-R355 WeakPolarHBondContact O-CB 3.35Å; D351-R355 PolarHBondContact O-N 3.35Å
352E87Confident86Confident72 Ų7253.2 Ų53.234%0.33626%0.26SS..Hα-helixtrans-66.6-42.3178.9-172.960.8-171.500111.8V348 Q349 V350 R355 E356V348-E352 PolarHBondContact O-N 2.87Å; Q349-E352 PolarHBondContact O-N 3.19Å; V350-E352 VanDerWaalsContact C-N 3.35Å; V350-E352 PolarHBondContact O-N 3.47Å; E352-R355 PolarHBondContact O-N 2.87Å; E352-R355 IonicContact OE2-CZ 3.55Å; E352-R355 IonicContact OE2-NH1 2.69Å; E352-R355 PolarHBondContact OE2-NH1 2.99Å; E352-E356 PolarHBondContact O-N 3.13Å; E352-E356 VanDerWaalsContact O-N 3.14Å
353L88.5Confident85.2Confident73 Ų7357.5 Ų57.538%0.38228%0.282SS..Hα-helixtrans-60.4-49.2175.4-74.7171.2000111.7Q349 V350 R355 E356 E357Q349-L353 WeakPolarHBondContact O-CG 3.46Å; Q349-L353 PolarHBondContact O-N 3.41Å; Q349-L353 VanDerWaalsContact O-N 3.15Å; V350-L353 PolarHBondContact O-N 3.32Å; L353-R355 VanDerWaalsContact C-N 3.33Å; L353-R355 PolarHBondContact O-N 3.49Å; L353-E356 WeakPolarHBondContact O-CB 3.49Å; L353-E356 PolarHBondContact O-N 3.17Å; L353-E356 VanDerWaalsContact O-N 3.11Å; L353-E357 PolarHBondContact O-N 3.32Å
354L85.9Confident84.6Confident4 Ų458.1 Ų58.12%0.02130%0.297CS..Hα-helixtrans-70.2-30.4-178.5-67.7176.3000112.4I211 R212 Y228 V350 D351 E356 E357 L358I211-L354 HydrophobicContact CB-CD1 3.48Å; I211-L354 VanDerWaalsContact CB-CD1 3.48Å; I211-L354 HydrophobicContact CD1-CD1 3.6Å; I211-L354 HydrophobicContact CG1-CD1 4.13Å; I211-L354 HydrophobicContact CG2-CD1 3.39Å; R212-L354 HydrophobicContact CG-CD2 3.95Å; Y228-L354 HydrophobicContact CD2-CB 4.42Å; Y228-L354 HydrophobicContact CE2-CB 3.61Å; V350-L354 HydrophobicContact CG1-CD1 3.52Å; V350-L354 HydrophobicContact CG1-CG 4.1Å; V350-L354 WeakPolarHBondContact O-CB 3.25Å; V350-L354 WeakPolarHBondContact O-CG 3.22Å; V350-L354 PolarHBondContact O-N 3.15Å; D351-L354 PolarHBondContact O-N 3.38Å; L354-E356 PolarHBondContact O-N 3.34Å; L354-E357 VanDerWaalsContact CD2-OE2 3.3Å; L354-E357 WeakPolarHBondContact CD2-OE2 3.32Å; L354-E357 PolarHBondContact O-N 3.41Å; L354-L358 VanDerWaalsContact O-CB 3.27Å; L354-L358 WeakPolarHBondContact O-CB 3.44Å; L354-L358 PolarHBondContact O-N 3.28Å
355R85.8Confident83.6Confident32 Ų3258 Ų5812%0.12129%0.293CS..Hα-helixtrans-66.2-28.5172.2-167.1-175.8-67.9139.3-6.8111.7Y228 P229 E231 D351 E352 L353 R359Y228-R355 HydrophobicContact CD1-CB 4.44Å; Y228-R355 HydrophobicContact CD2-CB 4.33Å; Y228-R355 HydrophobicContact CG-CB 4.16Å; Y228-R355 HydrophobicContact CG-CG 4.28Å; P229-R355 PolarHBondContact O-NH2 2.89Å; E231-R355 IonicContact OE1-NH1 3.64Å; E231-R355 PolarHBondContact OE1-NH1 3.46Å; D351-R355 WeakPolarHBondContact O-CB 3.35Å; D351-R355 PolarHBondContact O-N 3.35Å; E352-R355 PolarHBondContact O-N 2.87Å; E352-R355 IonicContact OE2-CZ 3.55Å; E352-R355 IonicContact OE2-NH1 2.69Å; E352-R355 PolarHBondContact OE2-NH1 2.99Å; L353-R355 VanDerWaalsContact C-N 3.33Å; L353-R355 PolarHBondContact O-N 3.49Å; R355-R359 WeakPolarHBondContact O-CG 3.44Å; R355-R359 PolarHBondContact O-N 3.06Å; R355-R359 PolarHBondContact O-NE 3.06Å
356E84.5Confident82.2Confident90 Ų9057.5 Ų57.542%0.42129%0.292SS..Hα-helixtrans-76.6-45.6169.6-73.1-171.3161.100112.5E352 L353 L354 L358 R359 N360E352-E356 PolarHBondContact O-N 3.13Å; E352-E356 VanDerWaalsContact O-N 3.14Å; L353-E356 WeakPolarHBondContact O-CB 3.49Å; L353-E356 PolarHBondContact O-N 3.17Å; L353-E356 VanDerWaalsContact O-N 3.11Å; L354-E356 PolarHBondContact O-N 3.34Å; E356-L358 PolarHBondContact O-N 3.33Å; E356-R359 WeakPolarHBondContact O-CB 3.44Å; E356-R359 PolarHBondContact O-N 3.3Å; E356-R359 IonicContact OE1-NH2 3.1Å; E356-N360 PolarHBondContact O-N 3.45Å; E356-N360 PolarHBondContact O-ND2 2.96Å
357E83.1Confident80.7Confident66 Ų6666.2 Ų66.231%0.30833%0.33SS..Hα-helixtrans-57.2-47.9175.8-71.3-174.3177.900111.6R212 L353 L354 R359 N360 L361R212-E357 IonicContact CZ-OE1 3.18Å; R212-E357 IonicContact CZ-OE2 2.68Å; R212-E357 IonicContact NE-OE2 2.65Å; R212-E357 PolarHBondContact NE-OE2 2.86Å; R212-E357 VanDerWaalsContact NE-OE2 3.14Å; R212-E357 VanDerWaalsContact NH2-CD 3.35Å; R212-E357 IonicContact NH2-OE1 3.85Å; R212-E357 PolarHBondContact NH2-OE1 2.93Å; R212-E357 IonicContact NH2-OE2 2.74Å; R212-E357 PolarHBondContact NH2-OE2 3.15Å; R212-E357 VanDerWaalsContact NH2-OE2 3.1Å; L353-E357 PolarHBondContact O-N 3.32Å; L354-E357 VanDerWaalsContact CD2-OE2 3.3Å; L354-E357 WeakPolarHBondContact CD2-OE2 3.32Å; L354-E357 PolarHBondContact O-N 3.41Å; E357-R359 VanDerWaalsContact C-N 3.32Å; E357-R359 PolarHBondContact O-N 2.9Å; E357-N360 PolarHBondContact O-N 3.44Å; E357-N360 VanDerWaalsContact O-N 3.12Å; E357-L361 WeakPolarHBondContact O-CG 3.3Å; E357-L361 PolarHBondContact O-N 3.06Å
358L80.9Confident78.9Confident12 Ų1269 Ų696%0.06335%0.346CS..Hα-helixtrans-61.2-39.8177.8-169.5100.2000112F215 F225 P226 L354 E356 N360 L361 K362F215-L358 HydrophobicContact CD1-CD1 3.46Å; F215-L358 VanDerWaalsContact CD1-CD1 3.46Å; F215-L358 HydrophobicContact CD2-CD1 4.26Å; F215-L358 HydrophobicContact CE1-CD1 3.38Å; F215-L358 HydrophobicContact CE1-CD2 4.45Å; F215-L358 HydrophobicContact CE2-CD1 4.2Å; F215-L358 HydrophobicContact CG-CD1 3.94Å; F215-L358 HydrophobicContact CZ-CD1 3.81Å; F225-L358 HydrophobicContact CB-CD1 4.16Å; F225-L358 HydrophobicContact CD1-CD1 4.28Å; F225-L358 HydrophobicContact CG-CD1 4.46Å; P226-L358 WeakPolarHBondContact O-CD2 3.27Å; L354-L358 VanDerWaalsContact O-CB 3.27Å; L354-L358 WeakPolarHBondContact O-CB 3.44Å; L354-L358 PolarHBondContact O-N 3.28Å; E356-L358 PolarHBondContact O-N 3.33Å; L358-N360 VanDerWaalsContact C-N 3.33Å; L358-N360 PolarHBondContact O-N 3.23Å; L358-L361 PolarHBondContact O-N 2.95Å; L358-K362 HydrophobicContact CD2-CD 4.4Å; L358-K362 WeakPolarHBondContact O-CB 3.43Å; L358-K362 WeakPolarHBondContact O-CG 3.48Å; L358-K362 PolarHBondContact O-N 3.02Å
359R80.3Confident76.8Confident107 Ų10776.4 Ų76.440%0.40436%0.364SS..Hα-helixtrans-60.6-44.7174.3-88.9-176.7-80.1155.5-15.3111.1R355 E356 E357 I363R355-R359 WeakPolarHBondContact O-CG 3.44Å; R355-R359 PolarHBondContact O-N 3.06Å; R355-R359 PolarHBondContact O-NE 3.06Å; E356-R359 WeakPolarHBondContact O-CB 3.44Å; E356-R359 PolarHBondContact O-N 3.3Å; E356-R359 IonicContact OE1-NH2 3.1Å; E357-R359 VanDerWaalsContact C-N 3.32Å; E357-R359 PolarHBondContact O-N 2.9Å; R359-I363 WeakPolarHBondContact O-CD1 3.25Å; R359-I363 VanDerWaalsContact O-CG1 3.28Å; R359-I363 WeakPolarHBondContact O-CG1 3.37Å; R359-I363 PolarHBondContact O-N 3.13Å; R359-I363 VanDerWaalsContact O-N 3.14Å
360N83.3Confident74.9Confident107 Ų10775.7 Ų75.757%0.57237%0.365SS*.Hα-helixtrans-66.6-40.9179.2-67.1-20.3000111.6E356 E357 L358 I363 A364E356-N360 PolarHBondContact O-N 3.45Å; E356-N360 PolarHBondContact O-ND2 2.96Å; E357-N360 PolarHBondContact O-N 3.44Å; E357-N360 VanDerWaalsContact O-N 3.12Å; L358-N360 VanDerWaalsContact C-N 3.33Å; L358-N360 PolarHBondContact O-N 3.23Å; N360-I363 PolarHBondContact O-N 3.44Å; N360-A364 WeakPolarHBondContact O-CB 3.32Å; N360-A364 PolarHBondContact O-N 3.04Å
361L77.4Confident72.7Confident74 Ų7483.7 Ų83.739%0.38740%0.402SS..Hα-helixtrans-63.4-43.8176.4-74.6168.8000112.4F225 E357 L358 I363 A364 I365F225-L361 HydrophobicContact CE2-CB 4.47Å; E357-L361 WeakPolarHBondContact O-CG 3.3Å; E357-L361 PolarHBondContact O-N 3.06Å; L358-L361 PolarHBondContact O-N 2.95Å; L361-I363 VanDerWaalsContact C-N 3.32Å; L361-I363 PolarHBondContact O-N 3.39Å; L361-A364 PolarHBondContact O-N 3.08Å; L361-I365 HydrophobicContact CD2-CD1 4.37Å; L361-I365 PolarHBondContact O-N 3.43Å
362K73.4Confident70.6Confident23 Ų2394.5 Ų94.510%0.144%0.442CS..Hα-helixtrans-60.1-41.2174.4-76.4-177.4177.6178.60111.9F225 P226 D227 L358 D366 V370F225-K362 HydrophobicContact CB-CG 4.39Å; F225-K362 VanDerWaalsContact O-CE 3.22Å; F225-K362 WeakPolarHBondContact O-CE 3.47Å; F225-K362 PolarHBondContact O-NZ 3.38Å; P226-K362 PolarHBondContact O-NZ 3.3Å; D227-K362 IonicContact OD1-NZ 2.73Å; D227-K362 PolarHBondContact OD1-NZ 3.09Å; L358-K362 HydrophobicContact CD2-CD 4.4Å; L358-K362 WeakPolarHBondContact O-CB 3.43Å; L358-K362 WeakPolarHBondContact O-CG 3.48Å; L358-K362 PolarHBondContact O-N 3.02Å; K362-D366 WeakPolarHBondContact O-CB 3.47Å; K362-D366 PolarHBondContact O-N 3.35Å; K362-D366 VanDerWaalsContact O-N 3.14Å; K362-V370 HydrophobicContact CB-CG2 4.43Å
363I75.8Confident68.2Low90 Ų90100.7 Ų100.746%0.46247%0.468SS..Hα-helixtrans-65.5-42176.6-67.6165.5000111.2R359 N360 L361 V370R359-I363 WeakPolarHBondContact O-CD1 3.25Å; R359-I363 VanDerWaalsContact O-CG1 3.28Å; R359-I363 WeakPolarHBondContact O-CG1 3.37Å; R359-I363 PolarHBondContact O-N 3.13Å; R359-I363 VanDerWaalsContact O-N 3.14Å; N360-I363 PolarHBondContact O-N 3.44Å; L361-I363 VanDerWaalsContact C-N 3.32Å; L361-I363 PolarHBondContact O-N 3.39Å; I363-V370 HydrophobicContact CG1-CB 4.38Å; I363-V370 HydrophobicContact CG1-CG2 4.24Å
364A78.2Confident65.6Low75 Ų75106 Ų10662%0.6249%0.489SS*.Hα-helixtrans-72.5-41.6-175.500000113.4N360 L361N360-A364 WeakPolarHBondContact O-CB 3.32Å; N360-A364 PolarHBondContact O-N 3.04Å; L361-A364 PolarHBondContact O-N 3.08Å
365I69.8Low63.2Low78 Ų78115.8 Ų115.840%0.453%0.531SS..Hα-helixtrans-93.5-46.3-170.9-66.9169.5000111.8F225 L361 K367F225-I365 HydrophobicContact CE2-CD1 3.91Å; L361-I365 HydrophobicContact CD2-CD1 4.37Å; L361-I365 PolarHBondContact O-N 3.43Å; I365-K367 PolarHBondContact O-N 2.87Å
366D60.3Low60.5Low61 Ų61123.7 Ų123.733%0.32657%0.566SS.*SBendtrans-87.2-5.1-171-67.3-33.7000113.3K362 E368K362-D366 WeakPolarHBondContact O-CB 3.47Å; K362-D366 PolarHBondContact O-N 3.35Å; K362-D366 VanDerWaalsContact O-N 3.14Å; D366-E368 HydrophobicContact CB-CB 4.25Å; D366-E368 PolarHBondContact O-N 3.17Å
367K60.3Low58Low189 Ų189130.7 Ų130.782%0.82259%0.588SS**  trans47.118-168-68.1-177.8179.9175.10113.2I365 R369I365-K367 PolarHBondContact O-N 2.87Å; K367-R369 PolarHBondContact O-N 3.43Å
368E50.2Low55.6Low113 Ų113131.7 Ų131.753%0.52861%0.608SS.*  trans-72.2116175.5-104.8-174.3172.800107D366 V370D366-E368 HydrophobicContact CB-CB 4.25Å; D366-E368 PolarHBondContact O-N 3.17Å; E368-V370 PolarHBondContact O-N 2.98Å
369R43.6Very low53.2Low243 Ų243140.8 Ų140.892%0.91765%0.647SS**  trans-62.888.8161.7-91-176.8164.8-173.5-2.6107.1K367 Q371K367-R369 PolarHBondContact O-N 3.43Å; R369-Q371 PolarHBondContact O-N 3.49Å
370V49.7Very low51Low69 Ų69145.1 Ų145.142%0.41867%0.669SS.*  trans-65.391.4166.2-176.80000105.8K362 I363 E368 R372K362-V370 HydrophobicContact CB-CG2 4.43Å; I363-V370 HydrophobicContact CG1-CB 4.38Å; I363-V370 HydrophobicContact CG1-CG2 4.24Å; E368-V370 PolarHBondContact O-N 2.98Å; V370-R372 PolarHBondContact O-N 3.14Å; V370-R372 VanDerWaalsContact O-N 3.15Å
371Q42.6Very low48.5Very low168 Ų168142.9 Ų142.979%0.78567%0.671SS**  trans-54.8126.2170.8-75.1-172.1-1.500106.5R369 K373R369-Q371 PolarHBondContact O-N 3.49Å; Q371-K373 PolarHBondContact O-N 2.97Å
372R41.3Very low46.3Very low238 Ų238150.8 Ų150.890%0.89870%0.696SS**  trans-46.6101.7160-96.4178147.3176.3-4.6105.6V370 K374V370-R372 PolarHBondContact O-N 3.14Å; V370-R372 VanDerWaalsContact O-N 3.15Å; R372-K374 PolarHBondContact O-N 3.16Å
373K38.4Very low44.4Very low202 Ų202159.2 Ų159.288%0.87873%0.732SS**  trans-60.292.7153.2-79-178.8-177.8168.40102Q371 K375Q371-K373 PolarHBondContact O-N 2.97Å; K373-K375 PolarHBondContact O-N 3.37Å
374K32Very low42.4Very low186 Ų186157.9 Ų157.981%0.80974%0.741SS**  trans-37.7120.7159.2-94.9179.7174173.80102.8R372 K376R372-K374 PolarHBondContact O-N 3.16Å; K374-K376 PolarHBondContact O-N 3.46Å
375K35.4Very low40.3Very low208 Ų208163.7 Ų163.790%0.90475%0.752SS**  trans-41.799.8165.9-95178.7174.7173.90103.6K373 R377K373-K375 PolarHBondContact O-N 3.37Å; K375-R377 PolarHBondContact O-N 3.19Å
376K30.1Very low38.5Very low199 Ų199169.3 Ų169.387%0.86577%0.774SS**  trans-61.8102.6163-86.6-176177.8175.2097.4K374 A378K374-K376 PolarHBondContact O-N 3.46Å; K376-A378 WeakPolarHBondContact O-CA 3.45Å; K376-A378 PolarHBondContact O-N 2.92Å
377R32.8Very low37.3Very low236 Ų236169.8 Ų169.889%0.89179%0.794SS**  trans-37.3106.8164.7-90.4177125.2-174.20.7102.3K375 K379K375-R377 PolarHBondContact O-N 3.19Å; R377-K379 VanDerWaalsContact C-N 3.26Å; R377-K379 PolarHBondContact O-N 3.3Å
378A31.3Very low36.1Very low88 Ų88170.6 Ų170.673%0.72779%0.791SS**  trans-51.5112.1-179.900000101.8K376 K380K376-A378 WeakPolarHBondContact O-CA 3.45Å; K376-A378 PolarHBondContact O-N 2.92Å; A378-K380 WeakPolarHBondContact O-CA 3.29Å; A378-K380 PolarHBondContact O-N 3.14Å
379K30.9Very low35.5Very low202 Ų202176 Ų17688%0.87881%0.807SS**  trans-64.594.5-174.1-166.3-176.2-162.8176.80101.4R377 G381R377-K379 VanDerWaalsContact C-N 3.26Å; R377-K379 PolarHBondContact O-N 3.3Å; K379-G381 VanDerWaalsContact C-N 3.27Å; K379-G381 WeakPolarHBondContact O-CA 3.41Å; K379-G381 PolarHBondContact O-N 3.25Å
380K34.7Very low35.2Very low198 Ų198174.7 Ų174.786%0.86181%0.808SS**  trans-32.999.5-158.6-151179.4-165174.50105.1A378 R382A378-K380 WeakPolarHBondContact O-CA 3.29Å; A378-K380 PolarHBondContact O-N 3.14Å; K380-R382 VanDerWaalsContact C-N 3.33Å; K380-R382 WeakPolarHBondContact O-CA 3.48Å; K380-R382 PolarHBondContact O-N 3.4Å
381G30.4Very low35.1Very low60 Ų60179.4 Ų179.462%0.61982%0.823SS**  trans-49111.5-167.400000103.8K379 K383K379-G381 VanDerWaalsContact C-N 3.27Å; K379-G381 WeakPolarHBondContact O-CA 3.41Å; K379-G381 PolarHBondContact O-N 3.25Å; G381-K383 WeakPolarHBondContact O-CA 3.33Å; G381-K383 PolarHBondContact O-N 3.19Å
382R32Very low35.7Very low241 Ų241178.3 Ų178.391%0.90982%0.818SS**  trans-58.298.7-169.7-170.4-179.9-178.8-173.91.6102K380 G384K380-R382 VanDerWaalsContact C-N 3.33Å; K380-R382 WeakPolarHBondContact O-CA 3.48Å; K380-R382 PolarHBondContact O-N 3.4Å; R382-G384 PolarHBondContact O-N 3.12Å
383K33.2Very low36.8Very low199 Ų199176.1 Ų176.187%0.86582%0.815SS**  trans-44.1112.8-168.5-95.1-176.7175.6178.10103G381 K385G381-K383 WeakPolarHBondContact O-CA 3.33Å; G381-K383 PolarHBondContact O-N 3.19Å; K383-K385 PolarHBondContact O-N 3.47Å
384G33.2Very low38.6Very low62 Ų62169.5 Ų169.564%0.63979%0.789SS**  trans-44.1120.7175.400000103.5R382 K386R382-G384 PolarHBondContact O-N 3.12Å; G384-K386 PolarHBondContact O-N 2.82Å
385K34.3Very low40.7Very low197 Ų197163.7 Ų163.786%0.85777%0.766SS**  trans-6179.1175.4-119.6178.6179.5177.70103.3K383 G387K383-K385 PolarHBondContact O-N 3.47Å; K385-G387 PolarHBondContact O-N 3.22Å
386K32.4Very low42.9Very low196 Ų196154.1 Ų154.185%0.85273%0.725SS**  trans-50.5114.8169.1-90.8-172.2174.6-179.80101.7G384 R388G384-K386 PolarHBondContact O-N 2.82Å; K386-R388 PolarHBondContact O-N 2.88Å
387G35.2Very low45.1Very low72 Ų72148.6 Ų148.674%0.74271%0.71SS**  trans-35.2106-168.500000107.9K385 R389K385-G387 PolarHBondContact O-N 3.22Å; G387-R389 PolarHBondContact O-N 2.74Å
388R35Very low47.5Very low206 Ų206144.6 Ų144.678%0.77771%0.706SS**  trans-69.287.4-179-161.1177175-176.3-0.9101.8K386 K390K386-R388 PolarHBondContact O-N 2.88Å; R388-K390 PolarHBondContact O-N 2.94Å
389R36.1Very low50.1Low225 Ų225145.7 Ų145.785%0.84969%0.691SS**  trans-34.9118.4163.5-82.7-177.9164-176.8-3.7103.6G387 K391G387-R389 PolarHBondContact O-N 2.74Å; R389-K391 PolarHBondContact O-N 2.81Å
390K38.9Very low52.9Low216 Ų216140.4 Ų140.494%0.93968%0.676SS**  trans-42.287.9-174.3-86.6178.8173.1176.10108.4R388 E392R388-K390 PolarHBondContact O-N 2.94Å; K390-E392 PolarHBondContact O-N 3.32Å
391K46.8Very low55.6Low168 Ų168133.9 Ų133.973%0.7365%0.65SS**  trans-78.9120.3175.9-87.5-171.9174.2-172.70101.2R389 K393R389-K391 PolarHBondContact O-N 2.81Å; K391-K393 PolarHBondContact O-N 3.48Å
392E55.4Low58.4Low146 Ų146136.2 Ų136.268%0.68265%0.648SS**  trans-42.3132.8177.6-108.3171.9152.600109.4K390 D394 I573K390-E392 PolarHBondContact O-N 3.32Å; E392-D394 PolarHBondContact O-N 2.64Å; E392-I573 WeakPolarHBondContact OE2-CD1 3.41Å; E392-I573 WeakPolarHBondContact OE2-CG1 3.43Å
393K65.3Low61.3Low192 Ų192126.6 Ų126.684%0.83562%0.617SS**  trans-65.2102.6-174.1-160.9-179.2-175.7-171.10106.5K391 L395K391-K393 PolarHBondContact O-N 3.48Å; K393-L395 PolarHBondContact O-N 2.74Å
394D75.1Confident64.2Low62 Ų62117.1 Ų117.133%0.33258%0.576SS.*  trans-53.1123.8173.4-171.8-8.9000107.8E392 T396 P397 H525 K529E392-D394 PolarHBondContact O-N 2.64Å; D394-T396 VanDerWaalsContact C-N 3.26Å; D394-T396 PolarHBondContact OD1-N 2.96Å; D394-T396 PolarHBondContact OD1-OG1 2.91Å; D394-P397 WeakPolarHBondContact O-CD 3.16Å; D394-H525 IonicContact OD1-CD2 3.24Å; D394-H525 IonicContact OD1-CE1 3.66Å; D394-H525 PolarHBondContact OD1-CE1 2.9Å; D394-H525 IonicContact OD1-NE2 3.99Å; D394-H525 PolarHBondContact OD1-NE2 2.95Å; D394-K529 VanDerWaalsContact CG-NZ 3.29Å; D394-K529 IonicContact OD1-NZ 3.87Å; D394-K529 PolarHBondContact OD1-NZ 2.79Å; D394-K529 VanDerWaalsContact OD1-NZ 3.08Å; D394-K529 WeakPolarHBondContact OD2-CE 3.21Å; D394-K529 IonicContact OD2-NZ 3.41Å; D394-K529 PolarHBondContact OD2-NZ 2.91Å
395L76.6Confident67Low65 Ų65114.5 Ų114.534%0.3455%0.547SS..SBendtrans-78.5-13.4-178.5-72.9146.4000111.8K393 M522 H525K393-L395 PolarHBondContact O-N 2.74Å; L395-M522 HydrophobicContact CB-CE 3.87Å; L395-M522 HydrophobicContact CB-SD 3.78Å; L395-M522 HydrophobicContact CD2-CE 4.13Å; L395-M522 HydrophobicContact CG-CE 4.48Å; L395-H525 HydrophobicContact CD1-CB 3.79Å; L395-H525 PolarHBondContact N-NE2 3.21Å
396T80.8Confident69.8Low7 Ų7108.9 Ų108.94%0.04352%0.524CS..  trans-133.749-176.257.10000113.5D394 D398 L404 M522 K529D394-T396 VanDerWaalsContact C-N 3.26Å; D394-T396 PolarHBondContact OD1-N 2.96Å; D394-T396 PolarHBondContact OD1-OG1 2.91Å; T396-D398 VanDerWaalsContact C-N 3.26Å; T396-D398 PolarHBondContact O-N 2.75Å; T396-L404 HydrophobicContact CG2-CD2 4.22Å; T396-M522 HydrophobicContact CG2-SD 3.83Å; T396-K529 PolarHBondContact O-NZ 2.84Å; T396-K529 PolarHBondContact OG1-NZ 3.43Å
397P77.9Confident72.7Confident82 Ų82101.7 Ų101.753%0.53249%0.493SS..THydrogen-bonded Turntrans-66.7-28.2-175.228.9-33.6000113.1D394D394-P397 WeakPolarHBondContact O-CD 3.16Å
398D82Confident75.5Confident153 Ų15398.3 Ų98.382%0.81846%0.458SS*.THydrogen-bonded Turntrans-91.1-1.1-172.4-49.5-44.5000113.2T396T396-D398 VanDerWaalsContact C-N 3.26Å; T396-D398 PolarHBondContact O-N 2.75Å
399R85.6Confident78.3Confident110 Ų11088.6 Ų88.642%0.41542%0.422SS..SBendtrans-103.7138.7-176.1-60.8-176.286.6-168.1-1.5111.4L404 E407R399-L404 HydrophobicContact CB-CD2 4Å; R399-L404 HydrophobicContact CB-CG 4.24Å; R399-E407 IonicContact CZ-OE2 3.51Å; R399-E407 IonicContact NH1-OE2 3.01Å; R399-E407 PolarHBondContact NH1-OE2 2.83Å; R399-E407 IonicContact NH2-OE2 3.85Å; R399-E407 PolarHBondContact NH2-OE2 3.39Å
400T91Very high80.9Confident92 Ų9282.2 Ų82.256%0.56440%0.404SS*.  trans-73.4154.4178.360.70000111.5I402 S403 L404T400-I402 VanDerWaalsContact C-N 3.27Å; T400-I402 PolarHBondContact O-N 2.82Å; T400-S403 PolarHBondContact O-N 2.77Å; T400-S403 WeakPolarHBondContact OG1-CB 3.41Å; T400-S403 PolarHBondContact OG1-N 2.91Å; T400-L404 WeakPolarHBondContact O-CG 3.42Å; T400-L404 PolarHBondContact O-N 3Å; T400-L404 VanDerWaalsContact O-N 3.13Å
401L89.8Confident83.3Confident60 Ų6072.9 Ų72.931%0.31437%0.367SS..Hα-helixtrans-58.7-40.7177.5177.659.4000112.1L404 F405 V530 L533 L534L401-L404 PolarHBondContact O-N 2.54Å; L401-F405 WeakPolarHBondContact O-CB 3.42Å; L401-F405 PolarHBondContact O-N 3.26Å; L401-V530 HydrophobicContact CD1-CG1 4.27Å; L401-V530 HydrophobicContact CD1-CG2 4.36Å; L401-L533 HydrophobicContact CD1-CB 3.84Å; L401-L533 HydrophobicContact CD1-CD1 3.82Å; L401-L533 HydrophobicContact CD1-CG 4.49Å; L401-L533 HydrophobicContact CD2-CB 4.09Å; L401-L534 HydrophobicContact CD1-CD1 4.4Å; L401-L534 HydrophobicContact CD1-CG 4.26Å; L401-L534 HydrophobicContact CD2-CD2 3.87Å; L401-L534 HydrophobicContact CD2-CG 4.24Å
402I90.6Very high85.5Confident110 Ų11066 Ų6656%0.56434%0.344SS*.Hα-helixtrans-61.6-46.3-179.9-61.1170.7000110.2F48 T400 L404 F405 E406F48-I402 HydrophobicContact CE1-CG2 4.4Å; F48-I402 HydrophobicContact CZ-CG2 3.84Å; T400-I402 VanDerWaalsContact C-N 3.27Å; T400-I402 PolarHBondContact O-N 2.82Å; I402-L404 PolarHBondContact O-N 3.4Å; I402-F405 PolarHBondContact O-N 3.31Å; I402-E406 WeakPolarHBondContact O-CB 3.29Å; I402-E406 PolarHBondContact O-N 2.84Å
403S92.9Very high87.4Confident38 Ų3859 Ų5927%0.26631%0.311SS..Hα-helixtrans-62.9-40.1177.5175.60000112.5T400 E407T400-S403 PolarHBondContact O-N 2.77Å; T400-S403 WeakPolarHBondContact OG1-CB 3.41Å; T400-S403 PolarHBondContact OG1-N 2.91Å; S403-E407 WeakPolarHBondContact O-CB 3.31Å; S403-E407 PolarHBondContact O-N 3.33Å
404L93.2Very high88.8Confident1 Ų150.1 Ų50.11%0.00527%0.273CS..Hα-helixtrans-67.3-38.2176.8-63.6173000111.8T396 R399 T400 L401 I402 L408 L526 K529 V530T396-L404 HydrophobicContact CG2-CD2 4.22Å; R399-L404 HydrophobicContact CB-CD2 4Å; R399-L404 HydrophobicContact CB-CG 4.24Å; T400-L404 WeakPolarHBondContact O-CG 3.42Å; T400-L404 PolarHBondContact O-N 3Å; T400-L404 VanDerWaalsContact O-N 3.13Å; L401-L404 PolarHBondContact O-N 2.54Å; I402-L404 PolarHBondContact O-N 3.4Å; L404-L408 WeakPolarHBondContact O-CG 3.37Å; L404-L408 PolarHBondContact O-N 2.91Å; L404-L526 HydrophobicContact CB-CD2 4.07Å; L404-L526 HydrophobicContact CD2-CD2 3.48Å; L404-L526 VanDerWaalsContact CD2-CD2 3.48Å; L404-L526 HydrophobicContact CD2-CG 4.11Å; L404-L526 HydrophobicContact CG-CD2 4.33Å; L404-K529 HydrophobicContact CD1-CD 4.24Å; L404-V530 HydrophobicContact CB-CG2 3.66Å; L404-V530 HydrophobicContact CD1-CG2 4.37Å
405F92.7Very high89.6Confident7 Ų751.2 Ų51.23%0.03127%0.272CS..Hα-helixtrans-66.6-47.3177.1-176.4-92.2000111R45 F48 L49 L52 L401 I402 E407 L408 V409 I414 V530 L534R45-F405 HydrophobicContact CG-CZ 4.47Å; F48-F405 HydrophobicContact CD1-CD1 4.03Å; F48-F405 AromaticContact CD1-CE1 3.84Å; F48-F405 HydrophobicContact CD1-CE1 3.84Å; F48-F405 AromaticContact CE1-CD1 3.68Å; F48-F405 HydrophobicContact CE1-CD1 3.68Å; F48-F405 AromaticContact CE1-CE1 3.98Å; F48-F405 HydrophobicContact CE1-CE1 3.98Å; L49-F405 HydrophobicContact CD1-CZ 4.12Å; L52-F405 HydrophobicContact CD1-CD1 4.2Å; L52-F405 HydrophobicContact CD1-CE1 4.27Å; L401-F405 WeakPolarHBondContact O-CB 3.42Å; L401-F405 PolarHBondContact O-N 3.26Å; I402-F405 PolarHBondContact O-N 3.31Å; F405-E407 PolarHBondContact O-N 2.62Å; F405-L408 PolarHBondContact O-N 3.38Å; F405-V409 HydrophobicContact CD1-CG2 3.85Å; F405-V409 HydrophobicContact CE1-CG2 3.56Å; F405-V409 HydrophobicContact CZ-CG2 3.98Å; F405-V409 WeakPolarHBondContact O-CG2 3.28Å; F405-V409 PolarHBondContact O-N 3.2Å; F405-I414 HydrophobicContact CD2-CD1 3.43Å; F405-I414 VanDerWaalsContact CD2-CD1 3.43Å; F405-I414 HydrophobicContact CE2-CD1 3.52Å; F405-I414 HydrophobicContact CE2-CG2 4.23Å; F405-I414 HydrophobicContact CG-CD1 4.17Å; F405-I414 HydrophobicContact CZ-CD1 4.31Å; F405-I414 HydrophobicContact CZ-CG2 4.26Å; F405-V530 HydrophobicContact CD2-CG1 4.19Å; F405-L534 HydrophobicContact CD2-CD1 3.29Å; F405-L534 HydrophobicContact CE2-CD1 3.71Å; F405-L534 HydrophobicContact CG-CD1 4.23Å
406E92.2Very high90.4Very high79 Ų7952.9 Ų52.937%0.36928%0.277SS..Hα-helixtrans-57.1-47.5176.5179.9172.9-162.200111.7L52 I402 L408 V409 L410L52-E406 HydrophobicContact CD1-CB 4.27Å; L52-E406 HydrophobicContact CD1-CG 4.38Å; L52-E406 HydrophobicContact CD2-CG 3.84Å; I402-E406 WeakPolarHBondContact O-CB 3.29Å; I402-E406 PolarHBondContact O-N 2.84Å; E406-L408 VanDerWaalsContact C-N 3.3Å; E406-L408 PolarHBondContact O-N 3.04Å; E406-V409 PolarHBondContact O-N 3.06Å; E406-L410 HydrophobicContact CG-CD1 3.88Å; E406-L410 HydrophobicContact CG-CG 4.32Å; E406-L410 WeakPolarHBondContact O-CB 3.35Å; E406-L410 VanDerWaalsContact O-CG 3.27Å; E406-L410 WeakPolarHBondContact O-CG 3.33Å; E406-L410 PolarHBondContact O-N 3.45Å
407E93Very high91Very high45 Ų4554 Ų5421%0.2128%0.284CS..Hα-helixtrans-56.6-43.5176-176.1-178.1141.200112.3R399 S403 F405 A411 Y514R399-E407 IonicContact CZ-OE2 3.51Å; R399-E407 IonicContact NH1-OE2 3.01Å; R399-E407 PolarHBondContact NH1-OE2 2.83Å; R399-E407 IonicContact NH2-OE2 3.85Å; R399-E407 PolarHBondContact NH2-OE2 3.39Å; S403-E407 WeakPolarHBondContact O-CB 3.31Å; S403-E407 PolarHBondContact O-N 3.33Å; F405-E407 PolarHBondContact O-N 2.62Å; E407-A411 VanDerWaalsContact O-CB 3.25Å; E407-A411 WeakPolarHBondContact O-CB 3.49Å; E407-A411 PolarHBondContact O-N 3.41Å; E407-Y514 WeakPolarHBondContact CG-OH 3.49Å; E407-Y514 PolarHBondContact OE1-OH 2.83Å
408L94.3Very high91.7Very high0 Ų054.6 Ų54.60%028%0.279CS..Hα-helixtrans-72-31179.8-69.4175.7000113.1L404 F405 E406 G412 I413 I414 F503 L523 L526 V527 V530L404-L408 WeakPolarHBondContact O-CG 3.37Å; L404-L408 PolarHBondContact O-N 2.91Å; F405-L408 PolarHBondContact O-N 3.38Å; E406-L408 VanDerWaalsContact C-N 3.3Å; E406-L408 PolarHBondContact O-N 3.04Å; L408-G412 PolarHBondContact O-N 3.31Å; L408-I413 HydrophobicContact CB-CB 4.45Å; L408-I413 HydrophobicContact CD2-CB 4.13Å; L408-I413 HydrophobicContact CD2-CG1 4.34Å; L408-I413 HydrophobicContact CD2-CG2 4.18Å; L408-I413 WeakPolarHBondContact O-CB 3.23Å; L408-I413 PolarHBondContact O-N 2.97Å; L408-I414 HydrophobicContact CB-CD1 3.67Å; L408-I414 HydrophobicContact CB-CG1 3.83Å; L408-I414 HydrophobicContact CD1-CD1 4.18Å; L408-I414 PolarHBondContact O-N 3.12Å; L408-F503 HydrophobicContact CD1-CD1 4.48Å; L408-F503 HydrophobicContact CD1-CE1 3.95Å; L408-L523 HydrophobicContact CD2-CD1 3.99Å; L408-L526 HydrophobicContact CD1-CB 4.4Å; L408-L526 HydrophobicContact CD1-CD2 4.38Å; L408-L526 HydrophobicContact CD2-CB 4.24Å; L408-L526 HydrophobicContact CD2-CD2 4.3Å; L408-L526 HydrophobicContact CG-CD2 4.13Å; L408-V527 HydrophobicContact CD1-CG2 4.44Å; L408-V527 HydrophobicContact CD2-CG2 4.13Å; L408-V530 HydrophobicContact CD1-CB 3.98Å; L408-V530 HydrophobicContact CD1-CG1 4.26Å; L408-V530 HydrophobicContact CD1-CG2 3.82Å
409V93.3Very high92.2Very high3 Ų353.8 Ų53.82%0.01827%0.268CS..Hα-helixtrans-69.3-48.2173172.60000110.1L49 L52 L53 F405 E406 A411 G412 I414L49-V409 HydrophobicContact CD1-CG2 4.26Å; L52-V409 HydrophobicContact CB-CG1 3.93Å; L52-V409 HydrophobicContact CD1-CB 4.23Å; L52-V409 HydrophobicContact CD1-CG1 4.24Å; L52-V409 HydrophobicContact CD1-CG2 4.25Å; L53-V409 HydrophobicContact CD2-CG1 3.97Å; L53-V409 HydrophobicContact CG-CG1 4.24Å; F405-V409 HydrophobicContact CD1-CG2 3.85Å; F405-V409 HydrophobicContact CE1-CG2 3.56Å; F405-V409 HydrophobicContact CZ-CG2 3.98Å; F405-V409 WeakPolarHBondContact O-CG2 3.28Å; F405-V409 PolarHBondContact O-N 3.2Å; E406-V409 PolarHBondContact O-N 3.06Å; V409-A411 VanDerWaalsContact C-N 3.3Å; V409-A411 PolarHBondContact O-N 3.05Å; V409-G412 WeakPolarHBondContact O-CA 3.28Å; V409-G412 PolarHBondContact O-N 2.94Å; V409-I414 HydrophobicContact CG2-CB 3.83Å; V409-I414 HydrophobicContact CG2-CD1 4.27Å; V409-I414 HydrophobicContact CG2-CG2 3.92Å
410L90.5Very high92.5Very high90 Ų9051.2 Ų51.247%0.47126%0.259SS..Hα-helixtrans-63.2-36.1178.3-66.7175000112T56 E406 G412T56-L410 HydrophobicContact CG2-CD2 3.33Å; E406-L410 HydrophobicContact CG-CD1 3.88Å; E406-L410 HydrophobicContact CG-CG 4.32Å; E406-L410 WeakPolarHBondContact O-CB 3.35Å; E406-L410 VanDerWaalsContact O-CG 3.27Å; E406-L410 WeakPolarHBondContact O-CG 3.33Å; E406-L410 PolarHBondContact O-N 3.45Å; L410-G412 PolarHBondContact O-N 3.01Å
411A90.9Very high92.6Very high20 Ų2048.7 Ų48.717%0.16525%0.245CC..THydrogen-bonded Turntrans-71.6-3.3171.900000113.3E407 V409 I413 K513 Y514E407-A411 VanDerWaalsContact O-CB 3.25Å; E407-A411 WeakPolarHBondContact O-CB 3.49Å; E407-A411 PolarHBondContact O-N 3.41Å; V409-A411 VanDerWaalsContact C-N 3.3Å; V409-A411 PolarHBondContact O-N 3.05Å; A411-I413 HydrophobicContact CB-CG1 3.95Å; A411-I413 PolarHBondContact O-N 3.46Å; A411-K513 WeakPolarHBondContact O-CD 3.4Å; A411-K513 VanDerWaalsContact O-CE 3.22Å; A411-K513 WeakPolarHBondContact O-CE 3.43Å; A411-K513 PolarHBondContact O-NZ 2.82Å; A411-Y514 HydrophobicContact CB-CE2 4.22Å
412G92.1Very high92.7Very high24 Ų2446 Ų4625%0.24723%0.231CC..THydrogen-bonded Turntrans6519.3-176.900000113.9L408 V409 L410 N509L408-G412 PolarHBondContact O-N 3.31Å; V409-G412 WeakPolarHBondContact O-CA 3.28Å; V409-G412 PolarHBondContact O-N 2.94Å; L410-G412 PolarHBondContact O-N 3.01Å; G412-N509 PolarHBondContact O-ND2 2.83Å; G412-N509 PolarHBondContact O-OD1 3.09Å
413I94.9Very high92.6Very high0 Ų046.5 Ų46.50%024%0.235CC..  trans-79.5-44.8175.1-58.6-65.2000109.1L408 A411 F503 D504 L505 I510 L523 V527L408-I413 HydrophobicContact CB-CB 4.45Å; L408-I413 HydrophobicContact CD2-CB 4.13Å; L408-I413 HydrophobicContact CD2-CG1 4.34Å; L408-I413 HydrophobicContact CD2-CG2 4.18Å; L408-I413 WeakPolarHBondContact O-CB 3.23Å; L408-I413 PolarHBondContact O-N 2.97Å; A411-I413 HydrophobicContact CB-CG1 3.95Å; A411-I413 PolarHBondContact O-N 3.46Å; I413-F503 HydrophobicContact CG2-CD1 4.33Å; I413-F503 CarbonylContact O-C 3.36Å; I413-F503 VanDerWaalsContact O-CA 3.31Å; I413-F503 WeakPolarHBondContact O-CA 3.2Å; I413-D504 PolarHBondContact O-N 2.93Å; I413-L505 HydrophobicContact CD1-CD2 4.45Å; I413-L505 HydrophobicContact CG2-CD2 4.17Å; I413-I510 HydrophobicContact CD1-CG1 4.24Å; I413-L523 HydrophobicContact CD1-CD1 4.13Å; I413-L523 HydrophobicContact CD1-CD2 4.4Å; I413-L523 HydrophobicContact CG1-CD1 3.94Å; I413-L523 HydrophobicContact CG2-CD1 4.44Å; I413-V527 HydrophobicContact CG2-CG2 3.76Å
414I95.1Very high92.4Very high4 Ų448.4 Ų48.42%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-84.1122169.2-65.8173.4000108L49 F405 L408 V409 L502 F503 V530L49-I414 HydrophobicContact CD1-CG2 3.76Å; F405-I414 HydrophobicContact CD2-CD1 3.43Å; F405-I414 VanDerWaalsContact CD2-CD1 3.43Å; F405-I414 HydrophobicContact CE2-CD1 3.52Å; F405-I414 HydrophobicContact CE2-CG2 4.23Å; F405-I414 HydrophobicContact CG-CD1 4.17Å; F405-I414 HydrophobicContact CZ-CD1 4.31Å; F405-I414 HydrophobicContact CZ-CG2 4.26Å; L408-I414 HydrophobicContact CB-CD1 3.67Å; L408-I414 HydrophobicContact CB-CG1 3.83Å; L408-I414 HydrophobicContact CD1-CD1 4.18Å; L408-I414 PolarHBondContact O-N 3.12Å; V409-I414 HydrophobicContact CG2-CB 3.83Å; V409-I414 HydrophobicContact CG2-CD1 4.27Å; V409-I414 HydrophobicContact CG2-CG2 3.92Å; I414-L502 WeakPolarHBondContact CA-O 3.43Å; I414-F503 HydrophobicContact CD1-CD1 4.21Å; I414-F503 HydrophobicContact CD1-CE1 3.53Å; I414-F503 HydrophobicContact CD1-CZ 4.07Å; I414-F503 HydrophobicContact CG1-CD1 3.53Å; I414-F503 HydrophobicContact CG1-CE1 3.38Å; I414-F503 HydrophobicContact CG1-CG 4.4Å; I414-F503 HydrophobicContact CG1-CZ 4.14Å; I414-V530 HydrophobicContact CD1-CG1 4.47Å
415R92.7Very high92.4Very high86 Ų8649 Ų4933%0.32524%0.242SC..EExtended strand (participates in β ladder)trans-110.4146.7-178.4-70.4-169169.8-162.9-4112V417 L502 D504 N509R415-V417 PolarHBondContact O-N 2.92Å; R415-L502 HydrophobicContact CB-CD2 4.48Å; R415-L502 PolarHBondContact N-O 3.14Å; R415-D504 HydrophobicContact CG-CB 4.15Å; R415-D504 IonicContact CZ-OD2 2.86Å; R415-D504 IonicContact NE-OD2 2.88Å; R415-D504 PolarHBondContact NE-OD2 3.31Å; R415-D504 VanDerWaalsContact NE-OD2 3.16Å; R415-D504 IonicContact NH1-OD2 2.75Å; R415-D504 PolarHBondContact NH1-OD2 3.32Å; R415-D504 VanDerWaalsContact NH1-OD2 3.16Å; R415-D504 IonicContact NH2-OD2 2.79Å; R415-N509 PolarHBondContact NH2-OD1 3.24Å
416K92.8Very high92.1Very high100 Ų10049.7 Ų49.744%0.43525%0.248SC..PPolyproline II helixtrans-64.4128.6166.5-168.9169.3-176.5166.40109.2L49 D50 L53L49-K416 HydrophobicContact CD2-CB 3.77Å; L49-K416 HydrophobicContact CD2-CD 4.29Å; L49-K416 HydrophobicContact CD2-CG 3.97Å; D50-K416 WeakPolarHBondContact OD1-CD 3.17Å; D50-K416 WeakPolarHBondContact OD1-CE 3.44Å; D50-K416 IonicContact OD1-NZ 2.77Å; D50-K416 PolarHBondContact OD1-NZ 3.07Å; D50-K416 IonicContact OD2-NZ 3.68Å; D50-K416 PolarHBondContact OD2-NZ 2.85Å; L53-K416 HydrophobicContact CD1-CB 4.18Å
417V93.8Very high91.8Very high31 Ų3146.3 Ų46.319%0.18823%0.234CC..PPolyproline II helixtrans-81.1130.3179.3179.80000109.3R415 N492 C495 L502R415-V417 PolarHBondContact O-N 2.92Å; V417-N492 HydrophobicContact CG1-CB 4.38Å; V417-C495 HydrophobicContact CB-CB 4.43Å; V417-C495 HydrophobicContact CG1-CB 3.72Å; V417-C495 HydrophobicContact CG2-CB 3.84Å; V417-L502 HydrophobicContact CG2-CB 3.67Å; V417-L502 HydrophobicContact CG2-CD2 4.24Å
418E92.9Very high91.6Very high94 Ų9446.3 Ų46.344%0.43923%0.234SC..PPolyproline II helixtrans-74.9123168.6-67.9168177.300109Y420 N492E418-Y420 HydrophobicContact CB-CD2 4.21Å; E418-Y420 HydrophobicContact CB-CE2 3.68Å; E418-Y420 PolarHBondContact O-N 2.9Å; E418-N492 PolarHBondContact OE2-ND2 3.45Å
419K92.5Very high91.3Very high135 Ų13547.1 Ų47.159%0.58724%0.237SC*.  trans-73.3114-174.5-70178.2173.1167.80110.4E46 T496E46-K419 VanDerWaalsContact OE1-CE 3.29Å; E46-K419 WeakPolarHBondContact OE1-CE 3.42Å; E46-K419 IonicContact OE1-NZ 2.67Å; E46-K419 PolarHBondContact OE1-NZ 2.86Å; E46-K419 IonicContact OE2-NZ 3.66Å; E46-K419 PolarHBondContact OE2-NZ 3.38Å; K419-T496 HydrophobicContact CB-CG2 4.42Å
420Y91.7Very high90.9Very high56 Ų5648 Ų4822%0.2224%0.243CC..  trans-134.9137.7173.5-66.4-56.1000109.7E418 E424 N492 T496 R625E418-Y420 HydrophobicContact CB-CD2 4.21Å; E418-Y420 HydrophobicContact CB-CE2 3.68Å; E418-Y420 PolarHBondContact O-N 2.9Å; Y420-E424 WeakPolarHBondContact CD1-OE2 3.35Å; Y420-N492 HydrophobicContact CD2-CB 3.84Å; Y420-N492 HydrophobicContact CE2-CB 4.47Å; Y420-T496 PolarHBondContact N-OG1 2.73Å; Y420-T496 VanDerWaalsContact O-CB 3.28Å; Y420-T496 WeakPolarHBondContact O-CB 3.35Å; Y420-T496 WeakPolarHBondContact O-CG2 3.49Å; Y420-R625 VanDerWaalsContact CE1-NH2 3.27Å
421S92.1Very high90.7Very high39 Ų3950.1 Ų50.127%0.27325%0.246SC..  trans-90.3153.9173-178.30000111.8N423 E424 E497S421-N423 PolarHBondContact O-N 2.91Å; S421-E424 PolarHBondContact N-OE1 3.1Å; S421-E424 WeakPolarHBondContact O-CB 3.4Å; S421-E424 PolarHBondContact O-N 2.99Å; S421-E497 VanDerWaalsContact CA-OE1 3.32Å; S421-E497 WeakPolarHBondContact CA-OE1 3.4Å; S421-E497 PolarHBondContact OG-OE1 3.48Å
422M92.8Very high90.5Very high3 Ų354.3 Ų54.32%0.01527%0.265CS..G310 helixtrans-56.7-32.4174.7-165.959.2159.400113.1I30 E424 Y425 R451 V454 I459 I493 E497I30-M422 HydrophobicContact CD1-CB 3.49Å; I30-M422 VanDerWaalsContact CD1-CB 3.49Å; I30-M422 HydrophobicContact CD1-CG 3.77Å; M422-E424 PolarHBondContact O-N 2.93Å; M422-Y425 PolarHBondContact O-N 3.32Å; M422-Y425 VanDerWaalsContact O-N 3.12Å; M422-R451 HydrophobicContact CE-CB 3.57Å; M422-R451 HydrophobicContact CE-CG 3.73Å; M422-R451 WeakPolarHBondContact CE-O 3.24Å; M422-R451 HydrophobicContact SD-CG 4.38Å; M422-V454 HydrophobicContact CE-CB 4.1Å; M422-V454 HydrophobicContact CE-CG1 4.11Å; M422-I459 HydrophobicContact CE-CD1 4.35Å; M422-I459 HydrophobicContact SD-CD1 4.35Å; M422-I493 HydrophobicContact CB-CG2 3.9Å; M422-I493 HydrophobicContact CG-CG2 4.39Å; M422-I493 HydrophobicContact SD-CG2 3.58Å; M422-I493 VanDerWaalsContact SD-CG2 3.58Å; M422-E497 HydrophobicContact CB-CG 4.41Å; M422-E497 PolarHBondContact N-OE1 3.44Å
423N88.2Confident90.3Very high122 Ų12253.1 Ų53.165%0.65225%0.253SS*.G310 helixtrans-67.2-18.3177.5-66.3-23.1000113.4S421 Y425S421-N423 PolarHBondContact O-N 2.91Å; N423-Y425 VanDerWaalsContact C-N 3.34Å
424E88.4Confident89.9Confident77 Ų7754.1 Ų54.136%0.3626%0.259SS..G310 helixtrans-78.1-21.5175-66.3-176.6-138.700112.6Y420 S421 M422 S426 R625Y420-E424 WeakPolarHBondContact CD1-OE2 3.35Å; S421-E424 PolarHBondContact N-OE1 3.1Å; S421-E424 WeakPolarHBondContact O-CB 3.4Å; S421-E424 PolarHBondContact O-N 2.99Å; M422-E424 PolarHBondContact O-N 2.93Å; E424-S426 VanDerWaalsContact C-N 3.26Å; E424-S426 PolarHBondContact O-N 3.21Å; E424-S426 PolarHBondContact O-OG 2.92Å; E424-R625 IonicContact OE2-CZ 3.57Å; E424-R625 IonicContact OE2-NH1 3.68Å; E424-R625 PolarHBondContact OE2-NH1 3.24Å; E424-R625 IonicContact OE2-NH2 2.82Å
425Y93Very high89.6Confident15 Ų1557.6 Ų57.66%0.05928%0.281CS..SBendtrans-75.581.8174.2-164.4-97.1000109.6M422 N423 G427 L447 V450 R451 T485 L490 I493M422-Y425 PolarHBondContact O-N 3.32Å; M422-Y425 VanDerWaalsContact O-N 3.12Å; N423-Y425 VanDerWaalsContact C-N 3.34Å; Y425-G427 PolarHBondContact O-N 3.24Å; Y425-L447 HydrophobicContact CE1-CB 4.21Å; Y425-L447 HydrophobicContact CE1-CD2 4.22Å; Y425-V450 HydrophobicContact CE1-CG1 4.25Å; Y425-R451 HydrophobicContact CD1-CG 3.7Å; Y425-R451 HydrophobicContact CE1-CG 4.45Å; Y425-R451 WeakPolarHBondContact O-CD 3.33Å; Y425-T485 PolarHBondContact OH-O 3.24Å; Y425-L490 HydrophobicContact CD1-CD2 3.97Å; Y425-L490 HydrophobicContact CD2-CD2 3.68Å; Y425-L490 HydrophobicContact CD2-CG 3.89Å; Y425-L490 HydrophobicContact CE1-CD1 4.4Å; Y425-L490 HydrophobicContact CE1-CD2 4.06Å; Y425-L490 HydrophobicContact CE2-CD1 3.93Å; Y425-L490 HydrophobicContact CE2-CD2 3.81Å; Y425-L490 HydrophobicContact CE2-CG 3.61Å; Y425-L490 HydrophobicContact CG-CD2 3.76Å; Y425-L490 HydrophobicContact CG-CG 4.46Å; Y425-I493 HydrophobicContact CD2-CD1 4.48Å
426S87Confident89.4Confident21 Ų2156.4 Ų56.415%0.14728%0.28CS..  trans-68.1129.7-172-600000112.4E424 L447E424-S426 VanDerWaalsContact C-N 3.26Å; E424-S426 PolarHBondContact O-N 3.21Å; E424-S426 PolarHBondContact O-OG 2.92Å; S426-L447 VanDerWaalsContact O-CD1 3.31Å; S426-L447 WeakPolarHBondContact O-CD1 3.39Å
427G86.7Confident89Confident8 Ų854.6 Ų54.68%0.08227%0.271CS..  trans-170.7139.9179.700000112.3Y425 R451 S614Y425-G427 PolarHBondContact O-N 3.24Å; G427-R451 PolarHBondContact O-NH1 3.19Å; G427-S614 WeakPolarHBondContact CA-OG 3.12Å
428E87.2Confident88.6Confident45 Ų4560.1 Ų60.121%0.2129%0.294CS..PPolyproline II helixtrans-98.4158.5-178.9-162.447.9-103.400112.3T446 S448 A613 S614 I617E428-T446 WeakPolarHBondContact O-CB 3.19Å; E428-T446 PolarHBondContact O-OG1 3.01Å; E428-S448 WeakPolarHBondContact O-CB 3.42Å; E428-A613 HydrophobicContact CB-CB 3.84Å; E428-A613 HydrophobicContact CG-CB 3.93Å; E428-S614 PolarHBondContact N-OG 2.93Å; E428-I617 HydrophobicContact CB-CD1 3.97Å; E428-I617 HydrophobicContact CG-CD1 4.28Å; E428-I617 WeakPolarHBondContact OE2-CD1 3.49Å
429Y87.9Confident88.4Confident17 Ų1758.5 Ų58.57%0.06730%0.298CS..PPolyproline II helixtrans-78.3146.3177-170.3-98.2000112.5F12 D13 L16 P23 Y431F12-Y429 WeakPolarHBondContact CA-OH 3.2Å; F12-Y429 WeakPolarHBondContact CB-OH 3.44Å; F12-Y429 PolarHBondContact N-OH 2.95Å; D13-Y429 HydrophobicContact CB-CE1 4.41Å; L16-Y429 HydrophobicContact CD1-CD1 4.28Å; L16-Y429 HydrophobicContact CD1-CE1 3.63Å; P23-Y429 HydrophobicContact CB-CD1 4.12Å; P23-Y429 HydrophobicContact CB-CD2 4.23Å; P23-Y429 HydrophobicContact CB-CG 3.73Å; P23-Y429 HydrophobicContact CG-CD1 3.87Å; P23-Y429 HydrophobicContact CG-CG 3.96Å; Y429-Y431 HydrophobicContact CD1-CD1 4.37Å; Y429-Y431 HydrophobicContact CD1-CE1 4.4Å; Y429-Y431 WeakPolarHBondContact O-CD2 3.38Å
430S86.4Confident88Confident21 Ų2159.5 Ų59.515%0.14731%0.309CS..PPolyproline II helixtrans-84.6118.3174.5-174.80000111.6
431Y86.4Confident87.7Confident134 Ų13461.7 Ų61.753%0.52532%0.324SS..SBendtrans-91.76.3175.6-59.9-84.5000114.2P23 Y429P23-Y431 HydrophobicContact CG-CE1 3.67Å; P23-Y431 WeakPolarHBondContact CG-OH 3.42Å; Y429-Y431 HydrophobicContact CD1-CD1 4.37Å; Y429-Y431 HydrophobicContact CD1-CE1 4.4Å; Y429-Y431 WeakPolarHBondContact O-CD2 3.38Å
432L86.7Confident87.2Confident108 Ų10864.6 Ų64.657%0.56533%0.334SS*.SBendtrans-124.48.1-174.2-63.3174.7000112.8T435 L436L432-T435 PolarHBondContact O-N 3.22Å; L432-L436 HydrophobicContact CB-CD1 4.31Å; L432-L436 HydrophobicContact CB-CG 4.43Å; L432-L436 WeakPolarHBondContact O-CB 3.43Å; L432-L436 VanDerWaalsContact O-CG 3.22Å; L432-L436 WeakPolarHBondContact O-CG 3.46Å; L432-L436 PolarHBondContact O-N 3.4Å
433G86.9Confident86.9Confident0 Ų064.7 Ų64.70%033%0.334CS..Hα-helixtrans-60.8-52.4-173.100000112.8D13 L436 R437 P443D13-G433 PolarHBondContact OD1-N 3.34Å; D13-G433 PolarHBondContact OD2-N 3.2Å; D13-G433 VanDerWaalsContact OD2-N 3.13Å; G433-L436 PolarHBondContact O-N 2.83Å; G433-R437 PolarHBondContact O-N 3.48Å; G433-R437 VanDerWaalsContact O-N 3.11Å; G433-P443 VanDerWaalsContact O-CG 3.27Å; G433-P443 WeakPolarHBondContact O-CG 3.45Å
434T86.5Confident86.8Confident20 Ų2062.6 Ų62.612%0.12332%0.321CS..Hα-helixtrans-65-42.3178.3-63.50000111.1D13 D14 L436 R437 Q438D13-T434 VanDerWaalsContact CG-N 3.3Å; D13-T434 PolarHBondContact OD1-N 3.48Å; D13-T434 PolarHBondContact OD1-OG1 3.41Å; D13-T434 WeakPolarHBondContact OD2-CB 3.49Å; D13-T434 PolarHBondContact OD2-N 3.3Å; D14-T434 HydrophobicContact CB-CG2 4.1Å; D14-T434 PolarHBondContact OD1-OG1 3.16Å; D14-T434 VanDerWaalsContact OD1-OG1 3.05Å; T434-L436 PolarHBondContact O-N 3Å; T434-R437 PolarHBondContact O-N 3.15Å; T434-Q438 WeakPolarHBondContact O-CG 3.39Å; T434-Q438 PolarHBondContact O-N 3.42Å
435T88.3Confident86.9Confident78 Ų7859.8 Ų59.848%0.47931%0.309SS..Hα-helixtrans-60.6-44178.7-570000111.8L432 Q438 A439L432-T435 PolarHBondContact O-N 3.22Å; T435-Q438 PolarHBondContact O-N 3.19Å; T435-A439 PolarHBondContact O-N 3.22Å
436L88.7Confident86.8Confident60 Ų6059.5 Ų59.531%0.31431%0.309SS..Hα-helixtrans-64.6-41.5177.2-74.1170.6000111.6L432 G433 T434 Q438 A439 N440 L441 P443L432-L436 HydrophobicContact CB-CD1 4.31Å; L432-L436 HydrophobicContact CB-CG 4.43Å; L432-L436 WeakPolarHBondContact O-CB 3.43Å; L432-L436 VanDerWaalsContact O-CG 3.22Å; L432-L436 WeakPolarHBondContact O-CG 3.46Å; L432-L436 PolarHBondContact O-N 3.4Å; G433-L436 PolarHBondContact O-N 2.83Å; T434-L436 PolarHBondContact O-N 3Å; L436-Q438 VanDerWaalsContact C-N 3.35Å; L436-Q438 PolarHBondContact O-N 2.96Å; L436-A439 CarbonylContact O-C 3.53Å; L436-A439 WeakPolarHBondContact O-CA 3.44Å; L436-A439 WeakPolarHBondContact O-CB 3.47Å; L436-A439 PolarHBondContact O-N 2.85Å; L436-A439 VanDerWaalsContact O-N 3.09Å; L436-N440 PolarHBondContact O-N 3.08Å; L436-L441 CarbonylContact C-O 3.17Å; L436-L441 HydrophobicContact CB-CB 4.38Å; L436-L441 HydrophobicContact CD2-CB 4.28Å; L436-L441 HydrophobicContact CD2-CD1 4.07Å; L436-L441 PolarHBondContact O-N 3.25Å; L436-P443 HydrophobicContact CB-CB 4.36Å; L436-P443 HydrophobicContact CB-CG 4Å; L436-P443 HydrophobicContact CD1-CB 4.02Å
437R84.8Confident87.1Confident63 Ų6358.7 Ų58.724%0.23830%0.303CS..Hα-helixtrans-61.8-41175.8-79.4-170.2171175.43.3112.4E5 S7 Y9 G433 T434 A439 N440 L441 E442 P443E5-R437 IonicContact OE2-CZ 2.76Å; E5-R437 IonicContact OE2-NH1 2.7Å; E5-R437 PolarHBondContact OE2-NH1 2.88Å; E5-R437 IonicContact OE2-NH2 2.6Å; S7-R437 PolarHBondContact OG-NH2 3.41Å; Y9-R437 PolarHBondContact O-NH2 3.21Å; G433-R437 PolarHBondContact O-N 3.48Å; G433-R437 VanDerWaalsContact O-N 3.11Å; T434-R437 PolarHBondContact O-N 3.15Å; R437-A439 PolarHBondContact O-N 3.3Å; R437-N440 WeakPolarHBondContact O-CA 3.33Å; R437-N440 PolarHBondContact O-N 3.41Å; R437-L441 PolarHBondContact N-O 3.17Å; R437-E442 IonicContact NH2-OE1 3.15Å; R437-P443 HydrophobicContact CG-CG 3.85Å
438Q85.9Confident87.3Confident146 Ų14659.1 Ų59.168%0.68231%0.305SS*.Hα-helixtrans-61.5-30.9174.9-70.8174.3-0.200112.3T434 T435 L436 N440T434-Q438 WeakPolarHBondContact O-CG 3.39Å; T434-Q438 PolarHBondContact O-N 3.42Å; T435-Q438 PolarHBondContact O-N 3.19Å; L436-Q438 VanDerWaalsContact C-N 3.35Å; L436-Q438 PolarHBondContact O-N 2.96Å; Q438-N440 PolarHBondContact O-N 2.95Å
439A88.4Confident87.6Confident61 Ų6157.3 Ų57.350%0.50430%0.296SS..THydrogen-bonded Turntrans-81.810.517300000114T435 L436 R437 L441T435-A439 PolarHBondContact O-N 3.22Å; L436-A439 CarbonylContact O-C 3.53Å; L436-A439 WeakPolarHBondContact O-CA 3.44Å; L436-A439 WeakPolarHBondContact O-CB 3.47Å; L436-A439 PolarHBondContact O-N 2.85Å; L436-A439 VanDerWaalsContact O-N 3.09Å; R437-A439 PolarHBondContact O-N 3.3Å; A439-L441 HydrophobicContact CB-CD1 4.4Å; A439-L441 PolarHBondContact O-N 3.05Å
440N84Confident87.9Confident156 Ų15656.5 Ų56.583%0.83429%0.293SS*.THydrogen-bonded Turntrans57.926-173.9-61.2-56.3000114.1L436 R437 Q438L436-N440 PolarHBondContact O-N 3.08Å; R437-N440 WeakPolarHBondContact O-CA 3.33Å; R437-N440 PolarHBondContact O-N 3.41Å; Q438-N440 PolarHBondContact O-N 2.95Å
441L84.9Confident88.3Confident101 Ų10156.8 Ų56.853%0.52929%0.291SS..PPolyproline II helixtrans-103.7122.2173.6-66.3171.3000109L436 R437 A439 P443L436-L441 CarbonylContact C-O 3.17Å; L436-L441 HydrophobicContact CB-CB 4.38Å; L436-L441 HydrophobicContact CD2-CB 4.28Å; L436-L441 HydrophobicContact CD2-CD1 4.07Å; L436-L441 PolarHBondContact O-N 3.25Å; R437-L441 PolarHBondContact N-O 3.17Å; A439-L441 HydrophobicContact CB-CD1 4.4Å; A439-L441 PolarHBondContact O-N 3.05Å; L441-P443 VanDerWaalsContact O-CD 3.27Å; L441-P443 WeakPolarHBondContact O-CD 3.41Å
442E82.7Confident88.6Confident101 Ų10153.1 Ų53.147%0.47228%0.276SS..PPolyproline II helixtrans-69.6117174.8-171.666.9-166.700109R437 K708R437-E442 IonicContact NH2-OE1 3.15Å; E442-K708 IonicContact OE1-NZ 3.75Å; E442-K708 PolarHBondContact OE1-NZ 3.21Å; E442-K708 WeakPolarHBondContact OE2-CE 3.32Å; E442-K708 IonicContact OE2-NZ 2.76Å; E442-K708 PolarHBondContact OE2-NZ 3.06Å
443P86.1Confident89Confident5 Ų548.2 Ų48.23%0.03225%0.251CS..PPolyproline II helixtrans-66144179.1-9.323.8000108.9Y11 G433 L436 R437 L441Y11-P443 HydrophobicContact CD2-CG 3.95Å; Y11-P443 HydrophobicContact CE1-CB 3.91Å; Y11-P443 HydrophobicContact CE1-CG 4.28Å; Y11-P443 HydrophobicContact CE2-CB 3.97Å; Y11-P443 HydrophobicContact CE2-CG 3.54Å; Y11-P443 HydrophobicContact CG-CG 4.49Å; Y11-P443 PolarHBondContact OH-O 3.21Å; Y11-P443 VanDerWaalsContact OH-O 3.04Å; G433-P443 VanDerWaalsContact O-CG 3.27Å; G433-P443 WeakPolarHBondContact O-CG 3.45Å; L436-P443 HydrophobicContact CB-CB 4.36Å; L436-P443 HydrophobicContact CB-CG 4Å; L436-P443 HydrophobicContact CD1-CB 4.02Å; R437-P443 HydrophobicContact CG-CG 3.85Å; L441-P443 VanDerWaalsContact O-CD 3.27Å; L441-P443 WeakPolarHBondContact O-CD 3.41Å
444Q85.6Confident89.4Confident78 Ų7848.2 Ų48.236%0.36425%0.251SS..PPolyproline II helixtrans-72.5143.4168-68.2-157.937.500109.8E692 K696Q444-E692 PolarHBondContact NE2-OE1 3.42Å; Q444-E692 PolarHBondContact OE1-OE1 2.87Å; Q444-K696 VanDerWaalsContact NE2-CE 3.27Å
445P90.8Very high89.9Confident18 Ų1847.4 Ų47.412%0.11725%0.246CC..PPolyproline II helixtrans-59.2155.4169.825.7-32.6000110.3Y9 P608Y9-P445 HydrophobicContact CD1-CB 3.45Å; Y9-P445 VanDerWaalsContact CD1-CB 3.45Å; Y9-P445 HydrophobicContact CD1-CG 4.47Å; Y9-P445 HydrophobicContact CD2-CB 4.1Å; Y9-P445 HydrophobicContact CD2-CG 4.43Å; Y9-P445 HydrophobicContact CE1-CB 3.31Å; Y9-P445 HydrophobicContact CE1-CG 4.06Å; Y9-P445 HydrophobicContact CE2-CB 4.04Å; Y9-P445 HydrophobicContact CE2-CG 4.08Å; Y9-P445 HydrophobicContact CG-CB 3.82Å; P445-P608 HydrophobicContact CB-CG 4.42Å; P445-P608 HydrophobicContact CG-CB 4.3Å; P445-P608 HydrophobicContact CG-CG 4.04Å; P445-P608 WeakPolarHBondContact O-CG 3.49Å
446T91.8Very high90.1Very high8 Ų846.1 Ų46.15%0.04923%0.234CC..  trans-106.1169171.361.50000110.7E428 S448 D449 V450E428-T446 WeakPolarHBondContact O-CB 3.19Å; E428-T446 PolarHBondContact O-OG1 3.01Å; T446-S448 PolarHBondContact O-N 3.19Å; T446-D449 PolarHBondContact N-OD2 3.29Å; T446-D449 PolarHBondContact O-N 2.91Å; T446-D449 PolarHBondContact OG1-N 3.18Å; T446-D449 PolarHBondContact OG1-OD2 3.35Å; T446-V450 WeakPolarHBondContact O-CG2 3.42Å; T446-V450 PolarHBondContact O-N 3.25Å; T446-V450 VanDerWaalsContact O-N 3.13Å
447L92.6Very high90.4Very high4 Ų444.4 Ų44.42%0.02122%0.224CC..Hα-helixtrans-66.4-26.5173.3-64.4-171.4000112.1Y425 S426 V450 R451 I607 P608 P610 I618Y425-L447 HydrophobicContact CE1-CB 4.21Å; Y425-L447 HydrophobicContact CE1-CD2 4.22Å; S426-L447 VanDerWaalsContact O-CD1 3.31Å; S426-L447 WeakPolarHBondContact O-CD1 3.39Å; L447-V450 PolarHBondContact O-N 3.1Å; L447-R451 WeakPolarHBondContact O-CG 3.5Å; L447-R451 PolarHBondContact O-N 3.18Å; L447-I607 HydrophobicContact CD2-CG2 4.3Å; L447-P608 HydrophobicContact CD2-CG 4.48Å; L447-P610 HydrophobicContact CD1-CB 3.98Å; L447-I618 HydrophobicContact CD1-CD1 4.04Å
448S91.3Very high90.9Very high18 Ų1841.4 Ų41.413%0.12621%0.212CC..Hα-helixtrans-66.1-41170.8-169.20000112E428 T446 V450 R451 R452E428-S448 WeakPolarHBondContact O-CB 3.42Å; T446-S448 PolarHBondContact O-N 3.19Å; S448-V450 VanDerWaalsContact C-N 3.32Å; S448-V450 PolarHBondContact O-N 2.99Å; S448-R451 WeakPolarHBondContact O-CB 3.48Å; S448-R451 PolarHBondContact O-N 3.02Å; S448-R451 VanDerWaalsContact O-N 3.14Å; S448-R452 PolarHBondContact O-N 2.9Å
449D92.5Very high91.4Very high7 Ų734.4 Ų34.44%0.03718%0.18CC..Hα-helixtrans-65.2-38.4176-53.9-50.5000111.9Y9 T446 R451 R452 L453Y9-D449 HydrophobicContact CD1-CB 3.75Å; Y9-D449 HydrophobicContact CE1-CB 4.34Å; T446-D449 PolarHBondContact N-OD2 3.29Å; T446-D449 PolarHBondContact O-N 2.91Å; T446-D449 PolarHBondContact OG1-N 3.18Å; T446-D449 PolarHBondContact OG1-OD2 3.35Å; D449-R451 VanDerWaalsContact C-N 3.31Å; D449-R451 PolarHBondContact O-N 3.25Å; D449-R452 PolarHBondContact O-N 2.93Å; D449-L453 WeakPolarHBondContact O-CG 3.39Å; D449-L453 PolarHBondContact O-N 3.1Å
450V94.9Very high91.7Very high0 Ų033.3 Ų33.30%017%0.165CC..Hα-helixtrans-60.1-43.3173.1172.90000110.6Y425 T446 L447 S448 R452 L453 V454 L490 I605 I607Y425-V450 HydrophobicContact CE1-CG1 4.25Å; T446-V450 WeakPolarHBondContact O-CG2 3.42Å; T446-V450 PolarHBondContact O-N 3.25Å; T446-V450 VanDerWaalsContact O-N 3.13Å; L447-V450 PolarHBondContact O-N 3.1Å; S448-V450 VanDerWaalsContact C-N 3.32Å; S448-V450 PolarHBondContact O-N 2.99Å; V450-R452 PolarHBondContact O-N 3.27Å; V450-L453 PolarHBondContact O-N 3.12Å; V450-V454 HydrophobicContact CG1-CG2 4.29Å; V450-V454 WeakPolarHBondContact O-CB 3.37Å; V450-V454 VanDerWaalsContact O-CG2 3.3Å; V450-V454 WeakPolarHBondContact O-CG2 3.04Å; V450-V454 PolarHBondContact O-N 3.06Å; V450-L490 HydrophobicContact CG1-CD1 3.87Å; V450-I605 HydrophobicContact CG1-CG2 4.28Å; V450-I605 HydrophobicContact CG2-CG2 4.27Å; V450-I607 HydrophobicContact CG1-CD1 4.4Å; V450-I607 HydrophobicContact CG1-CG1 3.96Å; V450-I607 HydrophobicContact CG2-CG1 4.17Å
451R94.4Very high92.2Very high27 Ų2726.5 Ų26.510%0.10213%0.129CC..Hα-helixtrans-57.6-51.5177.3-78164.862.5-157.46.2111.2E27 M422 Y425 G427 L447 S448 D449 L453 V454 T455E27-R451 IonicContact OE1-CZ 3.96Å; E27-R451 IonicContact OE1-NE 3.56Å; E27-R451 IonicContact OE1-NH2 2.91Å; E27-R451 PolarHBondContact OE1-NH2 3.17Å; E27-R451 IonicContact OE2-CZ 2.71Å; E27-R451 IonicContact OE2-NH1 3Å; E27-R451 IonicContact OE2-NH2 2.88Å; E27-R451 PolarHBondContact OE2-NH2 3.16Å; M422-R451 HydrophobicContact CE-CB 3.57Å; M422-R451 HydrophobicContact CE-CG 3.73Å; M422-R451 WeakPolarHBondContact CE-O 3.24Å; M422-R451 HydrophobicContact SD-CG 4.38Å; Y425-R451 HydrophobicContact CD1-CG 3.7Å; Y425-R451 HydrophobicContact CE1-CG 4.45Å; Y425-R451 WeakPolarHBondContact O-CD 3.33Å; G427-R451 PolarHBondContact O-NH1 3.19Å; L447-R451 WeakPolarHBondContact O-CG 3.5Å; L447-R451 PolarHBondContact O-N 3.18Å; S448-R451 WeakPolarHBondContact O-CB 3.48Å; S448-R451 PolarHBondContact O-N 3.02Å; S448-R451 VanDerWaalsContact O-N 3.14Å; D449-R451 VanDerWaalsContact C-N 3.31Å; D449-R451 PolarHBondContact O-N 3.25Å; R451-L453 PolarHBondContact O-N 3.48Å; R451-V454 PolarHBondContact O-N 3.09Å; R451-T455 PolarHBondContact O-N 2.74Å; R451-T455 PolarHBondContact O-OG1 3.33Å; R451-T455 VanDerWaalsContact O-OG1 3.08Å
452R93.4Very high92.7Very high56 Ų5621.8 Ų21.821%0.21111%0.105CC..Hα-helixtrans-55.8-49.8178-179.9-176.4172176.24.7111.9F12 I28 S448 D449 V450 V454 T455 E456F12-R452 VanDerWaalsContact CE2-CZ 3.49Å; I28-R452 HydrophobicContact CD1-CG 4.13Å; S448-R452 PolarHBondContact O-N 2.9Å; D449-R452 PolarHBondContact O-N 2.93Å; V450-R452 PolarHBondContact O-N 3.27Å; R452-V454 VanDerWaalsContact C-N 3.34Å; R452-V454 PolarHBondContact O-N 2.88Å; R452-T455 WeakPolarHBondContact O-CB 3.31Å; R452-T455 PolarHBondContact O-N 3.25Å; R452-T455 VanDerWaalsContact O-N 3.16Å; R452-E456 HydrophobicContact CG-CG 4.44Å; R452-E456 IonicContact CZ-OE1 2.81Å; R452-E456 IonicContact NE-OE1 2.96Å; R452-E456 PolarHBondContact NE-OE1 3.27Å; R452-E456 IonicContact NH2-OE1 3.19Å; R452-E456 PolarHBondContact NH2-OE1 3.12Å; R452-E456 WeakPolarHBondContact O-CG 3.34Å; R452-E456 PolarHBondContact O-N 2.89Å
453L94.6Very high93.2Very high5 Ų517.3 Ų17.33%0.0269%0.086CC..Hα-helixtrans-62.8-39.9-179.3-73.4-177.7000112.9E8 Y9 D449 V450 R451 T455 Y457 I605E8-L453 HydrophobicContact CB-CD1 4.01Å; E8-L453 HydrophobicContact CB-CD2 4.48Å; E8-L453 WeakPolarHBondContact O-CD2 3.22Å; Y9-L453 HydrophobicContact CD1-CD1 3.64Å; Y9-L453 HydrophobicContact CE1-CD1 3.35Å; Y9-L453 HydrophobicContact CG-CD1 4.5Å; D449-L453 WeakPolarHBondContact O-CG 3.39Å; D449-L453 PolarHBondContact O-N 3.1Å; V450-L453 PolarHBondContact O-N 3.12Å; R451-L453 PolarHBondContact O-N 3.48Å; L453-T455 VanDerWaalsContact C-N 3.34Å; L453-Y457 HydrophobicContact CD2-CD2 4.34Å; L453-Y457 HydrophobicContact CD2-CE2 3.75Å; L453-Y457 VanDerWaalsContact O-CB 3.3Å; L453-Y457 WeakPolarHBondContact O-CB 3.45Å; L453-Y457 PolarHBondContact O-N 3.17Å; L453-I605 HydrophobicContact CB-CD1 3.7Å; L453-I605 HydrophobicContact CB-CG1 4.25Å; L453-I605 HydrophobicContact CD1-CG1 4.27Å; L453-I605 HydrophobicContact CD1-CG2 4.38Å
454V96.1Very high93.5Very high0 Ų017.7 Ų17.70%09%0.088CC..Hα-helixtrans-65-40.8175168.90000110.6M422 V450 R451 R452 A458 I459 L479 L490 I494 I605M422-V454 HydrophobicContact CE-CB 4.1Å; M422-V454 HydrophobicContact CE-CG1 4.11Å; V450-V454 HydrophobicContact CG1-CG2 4.29Å; V450-V454 WeakPolarHBondContact O-CB 3.37Å; V450-V454 VanDerWaalsContact O-CG2 3.3Å; V450-V454 WeakPolarHBondContact O-CG2 3.04Å; V450-V454 PolarHBondContact O-N 3.06Å; R451-V454 PolarHBondContact O-N 3.09Å; R452-V454 VanDerWaalsContact C-N 3.34Å; R452-V454 PolarHBondContact O-N 2.88Å; V454-A458 WeakPolarHBondContact O-CA 3.4Å; V454-A458 VanDerWaalsContact O-CB 3.29Å; V454-A458 WeakPolarHBondContact O-CB 3.28Å; V454-A458 PolarHBondContact O-N 2.6Å; V454-I459 HydrophobicContact CG1-CD1 4.26Å; V454-I459 HydrophobicContact CG1-CG1 4.33Å; V454-I459 PolarHBondContact O-N 3.1Å; V454-I459 VanDerWaalsContact O-N 3.13Å; V454-L479 HydrophobicContact CG2-CD2 4.45Å; V454-L490 HydrophobicContact CG2-CD1 4.48Å; V454-L490 HydrophobicContact CG2-CD2 4.43Å; V454-I494 HydrophobicContact CG1-CD1 3.67Å; V454-I494 HydrophobicContact CG1-CG1 3.55Å; V454-I605 HydrophobicContact CG2-CD1 3.98Å
455T95.4Very high93.7Very high4 Ų416.5 Ų16.53%0.0258%0.083CC..Iπ-helixtrans-62.1-49.7175.8-60.60000111.5I28 I30 R451 R452 L453 I459 L460I28-T455 HydrophobicContact CB-CG2 4.17Å; I28-T455 HydrophobicContact CG2-CG2 3.85Å; I30-T455 HydrophobicContact CG1-CG2 4.07Å; R451-T455 PolarHBondContact O-N 2.74Å; R451-T455 PolarHBondContact O-OG1 3.33Å; R451-T455 VanDerWaalsContact O-OG1 3.08Å; R452-T455 WeakPolarHBondContact O-CB 3.31Å; R452-T455 PolarHBondContact O-N 3.25Å; R452-T455 VanDerWaalsContact O-N 3.16Å; L453-T455 VanDerWaalsContact C-N 3.34Å; T455-I459 PolarHBondContact O-N 2.73Å; T455-L460 HydrophobicContact CG2-CD1 4.5Å; T455-L460 HydrophobicContact CG2-CG 4.12Å; T455-L460 WeakPolarHBondContact O-CG 3.25Å; T455-L460 PolarHBondContact O-N 3.05Å
456E93.5Very high93.7Very high51 Ų5119.7 Ų19.724%0.23810%0.099CC..Iπ-helixtrans-66.5-42.4-178.2-71.3-179.6-171.500113.1I28 R452 P461I28-E456 HydrophobicContact CD1-CG 3.41Å; I28-E456 VanDerWaalsContact CD1-CG 3.41Å; I28-E456 WeakPolarHBondContact CD1-OE1 3.35Å; R452-E456 HydrophobicContact CG-CG 4.44Å; R452-E456 IonicContact CZ-OE1 2.81Å; R452-E456 IonicContact NE-OE1 2.96Å; R452-E456 PolarHBondContact NE-OE1 3.27Å; R452-E456 IonicContact NH2-OE1 3.19Å; R452-E456 PolarHBondContact NH2-OE1 3.12Å; R452-E456 WeakPolarHBondContact O-CG 3.34Å; R452-E456 PolarHBondContact O-N 2.89Å; E456-P461 VanDerWaalsContact O-CD 3.32Å; E456-P461 WeakPolarHBondContact O-CD 3.26Å; E456-P461 WeakPolarHBondContact O-CG 3.5Å
457Y94.5Very high93.6Very high23 Ų2321.3 Ų21.39%0.0911%0.109CC..Iπ-helixtrans-94.7-22.5-171.9-64.7-23.8000115.1V2 E8 L453 I474 K603V2-Y457 WeakPolarHBondContact CG2-OH 3.48Å; E8-Y457 VanDerWaalsContact OE2-CE2 3.24Å; E8-Y457 WeakPolarHBondContact OE2-CE2 3.39Å; E8-Y457 VanDerWaalsContact OE2-CZ 3.26Å; E8-Y457 PolarHBondContact OE2-OH 2.91Å; L453-Y457 HydrophobicContact CD2-CD2 4.34Å; L453-Y457 HydrophobicContact CD2-CE2 3.75Å; L453-Y457 VanDerWaalsContact O-CB 3.3Å; L453-Y457 WeakPolarHBondContact O-CB 3.45Å; L453-Y457 PolarHBondContact O-N 3.17Å; Y457-I474 HydrophobicContact CD1-CD1 3.34Å; Y457-I474 HydrophobicContact CE1-CD1 4.06Å; Y457-I474 HydrophobicContact CG-CD1 3.8Å; Y457-K603 HydrophobicContact CD2-CB 4.37Å; Y457-K603 HydrophobicContact CD2-CD 4.21Å; Y457-K603 HydrophobicContact CD2-CG 4.25Å; Y457-K603 HydrophobicContact CE2-CD 3.83Å; Y457-K603 HydrophobicContact CE2-CG 4.37Å; Y457-K603 PolarHBondContact OH-NZ 2.87Å
458A95.9Very high93.6Very high0 Ų021.5 Ų21.50%011%0.11CC..Iπ-helixtrans-117.5-58-178.900000112.1V454 P461 L462 L477 I494 L581V454-A458 WeakPolarHBondContact O-CA 3.4Å; V454-A458 VanDerWaalsContact O-CB 3.29Å; V454-A458 WeakPolarHBondContact O-CB 3.28Å; V454-A458 PolarHBondContact O-N 2.6Å; A458-P461 WeakPolarHBondContact O-CD 3.32Å; A458-L462 WeakPolarHBondContact O-CB 3.33Å; A458-L462 WeakPolarHBondContact O-CD1 3.32Å; A458-L462 VanDerWaalsContact O-CG 3.25Å; A458-L462 WeakPolarHBondContact O-CG 3.08Å; A458-L462 PolarHBondContact O-N 3.18Å; A458-L477 HydrophobicContact CB-CD2 4.2Å; A458-I494 HydrophobicContact CB-CD1 3.73Å; A458-I494 HydrophobicContact CB-CG1 3.99Å; A458-I494 HydrophobicContact CB-CG2 3.99Å; A458-L581 HydrophobicContact CB-CD2 3.55Å
459I96.4Very high93.5Very high0 Ų025.3 Ų25.30%013%0.125CC..Iπ-helixtrans-68.8-50-168.1-56179.7000111.5I30 F34 M422 V454 T455 L462 G463 I494 E497 T498I30-I459 HydrophobicContact CD1-CD1 3.61Å; I30-I459 HydrophobicContact CD1-CG2 4.26Å; I30-I459 HydrophobicContact CG1-CD1 4.38Å; I30-I459 HydrophobicContact CG1-CG2 4.2Å; I30-I459 HydrophobicContact CG2-CG2 3.76Å; F34-I459 HydrophobicContact CD2-CG2 4.46Å; F34-I459 HydrophobicContact CE2-CG2 4.21Å; M422-I459 HydrophobicContact CE-CD1 4.35Å; M422-I459 HydrophobicContact SD-CD1 4.35Å; V454-I459 HydrophobicContact CG1-CD1 4.26Å; V454-I459 HydrophobicContact CG1-CG1 4.33Å; V454-I459 PolarHBondContact O-N 3.1Å; V454-I459 VanDerWaalsContact O-N 3.13Å; T455-I459 PolarHBondContact O-N 2.73Å; I459-L462 PolarHBondContact O-N 2.92Å; I459-G463 PolarHBondContact O-N 2.66Å; I459-I494 HydrophobicContact CG1-CG1 4.11Å; I459-E497 HydrophobicContact CD1-CB 4.39Å; I459-E497 HydrophobicContact CG2-CB 4.12Å; I459-T498 HydrophobicContact CB-CG2 4.34Å; I459-T498 HydrophobicContact CG2-CG2 3.87Å; I459-T498 WeakPolarHBondContact O-CG2 3.17Å
460L95.2Very high93.2Very high37 Ų3728.1 Ų28.119%0.19414%0.137CC..Hα-helixtrans-64.6-47.3-178.4-63178000113.1I28 P31 F34 T455 L462 G463 S464 V467I28-L460 HydrophobicContact CG2-CD1 4.08Å; P31-L460 HydrophobicContact CG-CD2 4.2Å; F34-L460 HydrophobicContact CE2-CD2 4.21Å; F34-L460 HydrophobicContact CZ-CD2 4Å; T455-L460 HydrophobicContact CG2-CD1 4.5Å; T455-L460 HydrophobicContact CG2-CG 4.12Å; T455-L460 WeakPolarHBondContact O-CG 3.25Å; T455-L460 PolarHBondContact O-N 3.05Å; L460-L462 PolarHBondContact O-N 2.93Å; L460-G463 PolarHBondContact O-N 3.47Å; L460-S464 PolarHBondContact O-N 2.77Å; L460-V467 HydrophobicContact CB-CG1 4.21Å
461P94.3Very high92.8Very high13 Ų1329.6 Ų29.68%0.08415%0.149CC..Hα-helixtrans-66.8-33.5177.6-21.735.4000113E456 A458 H468E456-P461 VanDerWaalsContact O-CD 3.32Å; E456-P461 WeakPolarHBondContact O-CD 3.26Å; E456-P461 WeakPolarHBondContact O-CG 3.5Å; A458-P461 WeakPolarHBondContact O-CD 3.32Å; P461-H468 HydrophobicContact CB-CB 4.47Å; P461-H468 VanDerWaalsContact O-CB 3.29Å; P461-H468 WeakPolarHBondContact O-CB 3.13Å; P461-H468 PolarHBondContact O-CD2 2.82Å; P461-H468 VanDerWaalsContact O-CD2 3.32Å
462L94.9Very high92.4Very high3 Ų333.5 Ų33.52%0.01618%0.179CC..Hα-helixtrans-74.6-35.7175.4-74171.5000112.1A458 I459 L460 I494 T498 P536 V538 R579 L581A458-L462 WeakPolarHBondContact O-CB 3.33Å; A458-L462 WeakPolarHBondContact O-CD1 3.32Å; A458-L462 VanDerWaalsContact O-CG 3.25Å; A458-L462 WeakPolarHBondContact O-CG 3.08Å; A458-L462 PolarHBondContact O-N 3.18Å; I459-L462 PolarHBondContact O-N 2.92Å; L460-L462 PolarHBondContact O-N 2.93Å; L462-I494 HydrophobicContact CD1-CG2 3.65Å; L462-T498 HydrophobicContact CB-CG2 3.79Å; L462-P536 HydrophobicContact CB-CB 4.35Å; L462-P536 HydrophobicContact CD2-CB 4.18Å; L462-V538 HydrophobicContact CD1-CG2 3.71Å; L462-R579 HydrophobicContact CD2-CB 4.4Å; L462-R579 WeakPolarHBondContact O-CD 3.49Å; L462-R579 PolarHBondContact O-NH1 2.9Å; L462-L581 HydrophobicContact CD1-CB 4.01Å; L462-L581 HydrophobicContact CD1-CD2 3.83Å; L462-L581 HydrophobicContact CD2-CB 3.96Å; L462-L581 HydrophobicContact CG-CB 4.26Å; L462-L581 HydrophobicContact CG-CD2 4.48Å
463G92.9Very high92.1Very high7 Ų733.6 Ų33.67%0.07218%0.18CC..Hα-helixtrans-71.3-39.7-178.100000113.9F34 I459 L460 R579F34-G463 VanDerWaalsContact CD1-C 3.49Å; F34-G463 WeakPolarHBondContact CD1-O 3.37Å; I459-G463 PolarHBondContact O-N 2.66Å; L460-G463 PolarHBondContact O-N 3.47Å; G463-R579 PolarHBondContact O-NH1 2.82Å
464S92Very high92Very high12 Ų1234.2 Ų34.28%0.08418%0.183CC..  trans-121.8125.3-175.5178.10000113.2Y33 L460 V467 H468Y33-S464 WeakPolarHBondContact OH-CB 3.3Å; Y33-S464 PolarHBondContact OH-OG 2.74Å; L460-S464 PolarHBondContact O-N 2.77Å; S464-V467 PolarHBondContact O-N 3.41Å; S464-V467 PolarHBondContact OG-N 3.46Å; S464-H468 WeakPolarHBondContact O-CB 3.38Å; S464-H468 PolarHBondContact O-N 3.11Å
465Q91.2Very high91.9Very high54 Ų5435.6 Ų35.625%0.25219%0.19SC..Hα-helixtrans-60.9-45.5175.6-171.367.823.700112V467 H468 E469 S577 R579Q465-V467 VanDerWaalsContact C-N 3.31Å; Q465-V467 PolarHBondContact O-N 2.69Å; Q465-H468 WeakPolarHBondContact O-CB 3.29Å; Q465-H468 PolarHBondContact O-N 2.91Å; Q465-H468 VanDerWaalsContact O-N 3.16Å; Q465-E469 PolarHBondContact NE2-OE1 2.74Å; Q465-E469 WeakPolarHBondContact O-CG 3.32Å; Q465-E469 PolarHBondContact O-N 2.74Å; Q465-S577 PolarHBondContact NE2-O 3.16Å; Q465-R579 VanDerWaalsContact OE1-CG 3.28Å; Q465-R579 VanDerWaalsContact OE1-NE 3.11Å
466N89.1Confident91.9Very high85 Ų8535.5 Ų35.546%0.45519%0.189SC..Hα-helixtrans-62.4-40.6-179.7-72.7-9.6000111.5K470N466-K470 WeakPolarHBondContact O-CB 3.45Å; N466-K470 WeakPolarHBondContact O-CG 3.48Å; N466-K470 PolarHBondContact O-N 3.21Å
467V90.2Very high92.1Very high41 Ų4133 Ų3325%0.24818%0.178CC..Hα-helixtrans-65.7-44.5175.6178.20000110L460 S464 Q465 E469 K470 A471L460-V467 HydrophobicContact CB-CG1 4.21Å; S464-V467 PolarHBondContact O-N 3.41Å; S464-V467 PolarHBondContact OG-N 3.46Å; Q465-V467 VanDerWaalsContact C-N 3.31Å; Q465-V467 PolarHBondContact O-N 2.69Å; V467-E469 VanDerWaalsContact C-N 3.33Å; V467-E469 PolarHBondContact O-N 3Å; V467-K470 PolarHBondContact O-N 3.44Å; V467-A471 HydrophobicContact CG1-CB 4.21Å; V467-A471 WeakPolarHBondContact O-CA 3.46Å; V467-A471 WeakPolarHBondContact O-CB 3.45Å; V467-A471 PolarHBondContact O-N 3.04Å
468H92.2Very high92.2Very high9 Ų932 Ų324%0.04217%0.173CC..Hα-helixtrans-58.6-41.6179.4-166.9-93.8000113.5P461 S464 Q465 F473 P576 D578 R579P461-H468 HydrophobicContact CB-CB 4.47Å; P461-H468 VanDerWaalsContact O-CB 3.29Å; P461-H468 WeakPolarHBondContact O-CB 3.13Å; P461-H468 PolarHBondContact O-CD2 2.82Å; P461-H468 VanDerWaalsContact O-CD2 3.32Å; S464-H468 WeakPolarHBondContact O-CB 3.38Å; S464-H468 PolarHBondContact O-N 3.11Å; Q465-H468 WeakPolarHBondContact O-CB 3.29Å; Q465-H468 PolarHBondContact O-N 2.91Å; Q465-H468 VanDerWaalsContact O-N 3.16Å; H468-F473 AromaticContact CE1-CD2 3.85Å; H468-F473 AromaticContact CE1-CE2 3.52Å; H468-F473 AromaticContact NE2-CE2 3.97Å; H468-P576 PolarHBondContact CE1-O 3.45Å; H468-P576 VanDerWaalsContact CE1-O 3.29Å; H468-P576 PolarHBondContact ND1-O 2.83Å; H468-D578 PolarHBondContact CE1-O 3.07Å; H468-R579 HydrophobicContact CB-CG 4.16Å
469E90.5Very high92.3Very high98 Ų9832 Ų3246%0.45817%0.173SC..Hα-helixtrans-75.7-32.8-177.1-72-179.1-175.600113.1Q465 V467 P576Q465-E469 PolarHBondContact NE2-OE1 2.74Å; Q465-E469 WeakPolarHBondContact O-CG 3.32Å; Q465-E469 PolarHBondContact O-N 2.74Å; V467-E469 VanDerWaalsContact C-N 3.33Å; V467-E469 PolarHBondContact O-N 3Å; E469-P576 WeakPolarHBondContact CG-O 3.4Å
470K86.6Confident92.3Very high65 Ų6532 Ų3228%0.28317%0.173SC..Hα-helixtrans-96.3-29.1-175.6-66.8-179.9176.8-1630114.1A300 F301 E304 N466 V467A300-K470 HydrophobicContact CB-CB 4.01Å; A300-K470 HydrophobicContact CB-CD 4.1Å; A300-K470 HydrophobicContact CB-CG 4.2Å; A300-K470 PolarHBondContact O-NZ 3.48Å; F301-K470 HydrophobicContact CD1-CD 3.72Å; F301-K470 HydrophobicContact CE1-CB 4.21Å; F301-K470 HydrophobicContact CE1-CD 3.37Å; F301-K470 HydrophobicContact CE1-CG 4.4Å; F301-K470 HydrophobicContact CE2-CB 4.22Å; F301-K470 HydrophobicContact CE2-CD 4.38Å; F301-K470 HydrophobicContact CG-CD 4.38Å; F301-K470 HydrophobicContact CZ-CB 3.71Å; F301-K470 HydrophobicContact CZ-CD 3.74Å; F301-K470 HydrophobicContact CZ-CG 4.38Å; E304-K470 WeakPolarHBondContact OE1-CE 3.46Å; E304-K470 IonicContact OE1-NZ 3.45Å; E304-K470 PolarHBondContact OE1-NZ 3.29Å; E304-K470 IonicContact OE2-NZ 2.71Å; E304-K470 PolarHBondContact OE2-NZ 3.13Å; N466-K470 WeakPolarHBondContact O-CB 3.45Å; N466-K470 WeakPolarHBondContact O-CG 3.48Å; N466-K470 PolarHBondContact O-N 3.21Å; V467-K470 PolarHBondContact O-N 3.44Å
471A85.4Confident92.3Very high31 Ų3130.2 Ų30.226%0.25616%0.164SC..SBendtrans-72.4164.3175.200000110.7V467 F473V467-A471 HydrophobicContact CG1-CB 4.21Å; V467-A471 WeakPolarHBondContact O-CA 3.46Å; V467-A471 WeakPolarHBondContact O-CB 3.45Å; V467-A471 PolarHBondContact O-N 3.04Å; A471-F473 PolarHBondContact O-N 2.91Å; A471-F473 VanDerWaalsContact O-N 3.13Å
472P85.9Confident92.4Very high110 Ų11029.9 Ų29.971%0.71416%0.162SC*.  trans-53123.3171.1-25.435.2000110.7I474P472-I474 WeakPolarHBondContact O-CG1 3.38Å; P472-I474 PolarHBondContact O-N 2.88Å
473F88.4Confident92.3Very high57 Ų5736.8 Ų36.825%0.2519%0.194CC..  trans-69.9100-174.2-178.9-151.4000111.6H468 A471 K475 L574 T575 P576 Q602H468-F473 AromaticContact CE1-CD2 3.85Å; H468-F473 AromaticContact CE1-CE2 3.52Å; H468-F473 AromaticContact NE2-CE2 3.97Å; A471-F473 PolarHBondContact O-N 2.91Å; A471-F473 VanDerWaalsContact O-N 3.13Å; F473-K475 HydrophobicContact CD1-CG 4.29Å; F473-K475 HydrophobicContact CD2-CG 4.35Å; F473-K475 HydrophobicContact CE1-CD 4.09Å; F473-K475 HydrophobicContact CE1-CG 3.96Å; F473-K475 HydrophobicContact CE2-CG 3.93Å; F473-K475 HydrophobicContact CZ-CD 4.16Å; F473-K475 HydrophobicContact CZ-CG 3.74Å; F473-L574 HydrophobicContact CZ-CB 4.39Å; F473-T575 WeakPolarHBondContact CZ-O 3.42Å; F473-P576 HydrophobicContact CD1-CB 4.49Å; F473-P576 HydrophobicContact CD1-CG 3.92Å; F473-P576 HydrophobicContact CE1-CG 4.03Å; F473-P576 HydrophobicContact CG-CG 4.38Å; F473-Q602 PolarHBondContact O-OE1 2.7Å
474I91.3Very high92.3Very high18 Ų1837.4 Ų37.49%0.09220%0.2CC..  trans-97.2112.9179.6-63158.3000108.7Y457 P472 L581 K603Y457-I474 HydrophobicContact CD1-CD1 3.34Å; Y457-I474 HydrophobicContact CE1-CD1 4.06Å; Y457-I474 HydrophobicContact CG-CD1 3.8Å; P472-I474 WeakPolarHBondContact O-CG1 3.38Å; P472-I474 PolarHBondContact O-N 2.88Å; I474-L581 HydrophobicContact CG2-CD1 4.34Å; I474-K603 HydrophobicContact CD1-CG 4.2Å; I474-K603 HydrophobicContact CG1-CG 4.05Å; I474-K603 HydrophobicContact CG2-CB 4.34Å; I474-K603 HydrophobicContact CG2-CG 3.96Å
475K93.6Very high92.4Very high30 Ų3037 Ų3713%0.1320%0.197CC..  trans-91.8-22.1179.4-57.2-174165.5-165.10113.5F473 M571 L574 L582F473-K475 HydrophobicContact CD1-CG 4.29Å; F473-K475 HydrophobicContact CD2-CG 4.35Å; F473-K475 HydrophobicContact CE1-CD 4.09Å; F473-K475 HydrophobicContact CE1-CG 3.96Å; F473-K475 HydrophobicContact CE2-CG 3.93Å; F473-K475 HydrophobicContact CZ-CD 4.16Å; F473-K475 HydrophobicContact CZ-CG 3.74Å; K475-M571 HydrophobicContact CB-CE 3.45Å; K475-M571 VanDerWaalsContact CB-CE 3.45Å; K475-M571 HydrophobicContact CD-CE 4.48Å; K475-M571 WeakPolarHBondContact CD-O 3.35Å; K475-M571 PolarHBondContact NZ-O 3.42Å; K475-M571 WeakPolarHBondContact O-CE 3.27Å; K475-L574 WeakPolarHBondContact CE-O 3.38Å; K475-L574 PolarHBondContact NZ-O 3.24Å; K475-L582 PolarHBondContact O-N 2.86Å
476S96Very high92.5Very high1 Ų135.1 Ų35.11%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-154.3133.5-164.658.40000111.4L582 L600 Y601 Q602 K603S476-L582 CarbonylContact C-O 3.59Å; S476-L582 WeakPolarHBondContact CA-O 3.39Å; S476-L600 WeakPolarHBondContact CB-O 3.46Å; S476-L600 PolarHBondContact OG-O 2.89Å; S476-Y601 WeakPolarHBondContact OG-CA 3.41Å; S476-Q602 WeakPolarHBondContact OG-CG 3.46Å; S476-Q602 PolarHBondContact OG-N 2.92Å; S476-K603 PolarHBondContact O-N 3.41Å
477L96.8Very high92.9Very high0 Ų032.1 Ų32.10%018%0.176CC..EExtended strand (participates in β ladder)trans-124.3134.7179.9-175.563.9000109.8A458 L479 L581 L582 I583 G584 Y601 K603 I605A458-L477 HydrophobicContact CB-CD2 4.2Å; L477-L479 HydrophobicContact CD2-CD2 4.04Å; L477-L479 HydrophobicContact CG-CD2 4.19Å; L477-L581 HydrophobicContact CB-CD1 4.36Å; L477-L582 PolarHBondContact N-O 3.33Å; L477-I583 CarbonylContact O-C 3.54Å; L477-I583 VanDerWaalsContact O-CA 3.3Å; L477-I583 WeakPolarHBondContact O-CA 3.23Å; L477-G584 PolarHBondContact O-N 3.38Å; L477-Y601 WeakPolarHBondContact O-CD1 3.35Å; L477-K603 CarbonylContact C-O 3.17Å; L477-K603 WeakPolarHBondContact CA-O 3.22Å; L477-K603 HydrophobicContact CD1-CB 3.7Å; L477-I605 HydrophobicContact CD1-CD1 3.7Å; L477-I605 HydrophobicContact CD1-CG1 3.86Å; L477-I605 HydrophobicContact CD2-CD1 4.2Å; L477-I605 HydrophobicContact CG-CD1 4.37Å
478L97.4Very high93.1Very high0 Ų036.1 Ų36.10%019%0.186CC..EExtended strand (participates in β ladder)trans-110.2121.3172175.563.5000109.5A480 C544 G584 F597 Y601 K603 I604 I605 W698L478-A480 HydrophobicContact CG-CB 4.28Å; L478-C544 WeakPolarHBondContact CD1-SG 2.87Å; L478-G584 WeakPolarHBondContact CA-O 2.96Å; L478-F597 HydrophobicContact CD1-CE1 4.43Å; L478-F597 HydrophobicContact CD1-CE2 4.44Å; L478-F597 HydrophobicContact CD1-CZ 3.81Å; L478-F597 HydrophobicContact CD2-CD1 4.19Å; L478-F597 HydrophobicContact CD2-CE1 3.52Å; L478-F597 HydrophobicContact CD2-CZ 3.72Å; L478-F597 HydrophobicContact CG-CZ 4.46Å; L478-Y601 HydrophobicContact CB-CD1 3.99Å; L478-Y601 HydrophobicContact CB-CD2 4.32Å; L478-Y601 HydrophobicContact CB-CG 3.75Å; L478-Y601 HydrophobicContact CD1-CD2 4.35Å; L478-Y601 HydrophobicContact CD1-CE2 4.44Å; L478-Y601 HydrophobicContact CD2-CD2 4.42Å; L478-K603 PolarHBondContact N-O 3.45Å; L478-I604 HydrophobicContact CB-CG1 4.31Å; L478-I604 HydrophobicContact CD2-CG1 4.26Å; L478-I604 HydrophobicContact CD2-CG2 4.1Å; L478-I604 HydrophobicContact CG-CG2 4.47Å; L478-I605 PolarHBondContact O-N 2.89Å; L478-W698 HydrophobicContact CD2-CH2 3.95Å; L478-W698 HydrophobicContact CD2-CZ2 4.12Å
479L97.7Very high93.2Very high0 Ų037.9 Ų37.90%020%0.2CC..EExtended strand (participates in β ladder)trans-97103.1169.1-56.4-177000108.1V454 L477 K487 L490 V491 I583 G584 C585 S586 I605 I607V454-L479 HydrophobicContact CG2-CD2 4.45Å; L477-L479 HydrophobicContact CD2-CD2 4.04Å; L477-L479 HydrophobicContact CG-CD2 4.19Å; L479-K487 WeakPolarHBondContact O-CD 3.34Å; L479-L490 HydrophobicContact CD1-CB 4.12Å; L479-L490 HydrophobicContact CD1-CD1 4.46Å; L479-V491 HydrophobicContact CD1-CG2 4.13Å; L479-I583 HydrophobicContact CD1-CG2 3.96Å; L479-I583 HydrophobicContact CG-CG2 4Å; L479-G584 PolarHBondContact N-O 3.25Å; L479-C585 WeakPolarHBondContact O-CA 3.38Å; L479-S586 PolarHBondContact O-N 2.85Å; L479-I605 HydrophobicContact CD2-CB 4.15Å; L479-I605 HydrophobicContact CD2-CD1 4.17Å; L479-I607 HydrophobicContact CB-CD1 3.94Å; L479-I607 HydrophobicContact CD2-CD1 4.27Å
480A96.5Very high93.5Very high0 Ų033.2 Ų33.20%018%0.178CC..EExtended strand (participates in β ladder)trans-113138-178.200000110.4L478 S586 P589 I605 L606 I607 W698L478-A480 HydrophobicContact CG-CB 4.28Å; A480-S586 WeakPolarHBondContact CA-O 3.34Å; A480-P589 HydrophobicContact CB-CB 4.28Å; A480-P589 HydrophobicContact CB-CG 4.21Å; A480-I605 PolarHBondContact N-O 3.33Å; A480-L606 CarbonylContact O-C 3.46Å; A480-L606 WeakPolarHBondContact O-CA 3.34Å; A480-I607 PolarHBondContact O-N 2.98Å; A480-W698 HydrophobicContact CB-CH2 3.71Å; A480-W698 HydrophobicContact CB-CZ3 3.73Å
481G95.5Very high94.1Very high0 Ų030.1 Ų30.10%016%0.164CC..SBendtrans161.7-179.3174.800000112.4K487 S586 S587 I607G481-K487 PolarHBondContact O-NZ 3.36Å; G481-S586 PolarHBondContact N-O 3.1Å; G481-S586 VanDerWaalsContact N-O 3.11Å; G481-S587 WeakPolarHBondContact O-CA 3.45Å; G481-I607 WeakPolarHBondContact CA-O 3.23Å
482P95.5Very high94.6Very high6 Ų629 Ų294%0.03915%0.154CC..  trans-54.3153.8-178.8-25.432.4000114.2T485 K487 I607 T647 V687 Y695P482-T485 HydrophobicContact CB-CG2 3.99Å; P482-T485 HydrophobicContact CG-CG2 4.33Å; P482-T485 PolarHBondContact O-OG1 3.22Å; P482-K487 PolarHBondContact O-NZ 2.84Å; P482-I607 WeakPolarHBondContact CD-O 3.22Å; P482-T647 HydrophobicContact CB-CG2 4.14Å; P482-V687 HydrophobicContact CB-CG1 4.35Å; P482-V687 HydrophobicContact CB-CG2 3.68Å; P482-V687 HydrophobicContact CG-CG1 3.99Å; P482-V687 HydrophobicContact CG-CG2 4.1Å; P482-Y695 WeakPolarHBondContact CA-OH 3.46Å; P482-Y695 HydrophobicContact CB-CE2 4.49Å; P482-Y695 HydrophobicContact CG-CD2 4.37Å; P482-Y695 HydrophobicContact CG-CE2 3.72Å
483H94Very high95.2Very high149 Ų14923.9 Ų23.969%0.6912%0.12SC*.THydrogen-bonded Turntrans-61.6143.6172.5-169.884.4000110.5T485 T647H483-T485 PolarHBondContact O-N 3.41Å; H483-T647 WeakPolarHBondContact O-CG2 3.47Å; H483-T647 PolarHBondContact O-OG1 3.09Å
484G92.9Very high95.6Very high20 Ų2021.1 Ų21.121%0.20611%0.108CC..THydrogen-bonded Turntrans80.85179.200000116.5G486 S648 G649G484-G486 PolarHBondContact O-N 2.89Å; G484-S648 PolarHBondContact O-OG 3.46Å; G484-S648 VanDerWaalsContact O-OG 3.14Å; G484-G649 WeakPolarHBondContact O-CA 3.37Å; G484-G649 PolarHBondContact O-N 3Å
485T94.4Very high95.8Very high2 Ų220.4 Ų20.41%0.01211%0.105CC..SBendtrans-79.68.4176.155.10000115.1Y425 P482 H483 I607 T647Y425-T485 PolarHBondContact OH-O 3.24Å; P482-T485 HydrophobicContact CB-CG2 3.99Å; P482-T485 HydrophobicContact CG-CG2 4.33Å; P482-T485 PolarHBondContact O-OG1 3.22Å; H483-T485 PolarHBondContact O-N 3.41Å; T485-I607 HydrophobicContact CG2-CG2 4.38Å; T485-T647 HydrophobicContact CG2-CG2 3.97Å
486G93.7Very high95.9Very high16 Ų1620.9 Ų20.917%0.16511%0.11CC..SBendtrans82.420.6178.500000115.3G484 R488 S489 L490G484-G486 PolarHBondContact O-N 2.89Å; G486-R488 VanDerWaalsContact C-N 3.32Å; G486-R488 PolarHBondContact O-N 3.33Å; G486-S489 CarbonylContact O-C 3.52Å; G486-S489 WeakPolarHBondContact O-CB 3.4Å; G486-S489 PolarHBondContact O-N 3.3Å; G486-S489 VanDerWaalsContact O-N 3.1Å; G486-L490 PolarHBondContact O-N 3.4Å
487K96Very high95.9Very high22 Ų2222.5 Ų22.510%0.09612%0.118CC..Hα-helixtrans-52.1-46.4176.2-57.4-170.3-73.9-91.10113.2L479 G481 P482 L490 V491 S586 I607L479-K487 WeakPolarHBondContact O-CD 3.34Å; G481-K487 PolarHBondContact O-NZ 3.36Å; P482-K487 PolarHBondContact O-NZ 2.84Å; K487-L490 PolarHBondContact O-N 2.88Å; K487-V491 PolarHBondContact O-N 3.37Å; K487-S586 WeakPolarHBondContact CE-O 3.45Å; K487-S586 PolarHBondContact NZ-O 2.85Å; K487-I607 HydrophobicContact CG-CD1 3.83Å
488R94.6Very high95.8Very high125 Ų12522.7 Ų22.747%0.47212%0.119SC..Hα-helixtrans-66.9-40.6176.9-178.2173.8173.2163.3-6.1111.8G486 L490 V491 N492G486-R488 VanDerWaalsContact C-N 3.32Å; G486-R488 PolarHBondContact O-N 3.33Å; R488-L490 VanDerWaalsContact C-N 3.32Å; R488-L490 PolarHBondContact O-N 3.34Å; R488-V491 WeakPolarHBondContact O-CB 3.47Å; R488-V491 PolarHBondContact O-N 3.19Å; R488-N492 PolarHBondContact O-N 3.43Å; R488-N492 VanDerWaalsContact O-N 3.09Å
489S95.1Very high95.6Very high46 Ų4623.2 Ų23.232%0.32212%0.124SC..Hα-helixtrans-61.6-40.4175.1-530000111.4G486 V491 N492 I493G486-S489 CarbonylContact O-C 3.52Å; G486-S489 WeakPolarHBondContact O-CB 3.4Å; G486-S489 PolarHBondContact O-N 3.3Å; G486-S489 VanDerWaalsContact O-N 3.1Å; S489-V491 VanDerWaalsContact C-N 3.33Å; S489-V491 PolarHBondContact O-N 2.74Å; S489-N492 WeakPolarHBondContact O-CB 3.32Å; S489-N492 PolarHBondContact O-N 2.86Å; S489-I493 WeakPolarHBondContact O-CB 3.28Å; S489-I493 WeakPolarHBondContact O-CG1 3.49Å; S489-I493 PolarHBondContact O-N 3.26Å
490L97.3Very high95.5Very high0 Ų023.3 Ų23.30%013%0.125CC..Hα-helixtrans-59.9-40.9174.6-74.9171000112.3Y425 V450 V454 L479 G486 K487 R488 I493 I494 I607Y425-L490 HydrophobicContact CD1-CD2 3.97Å; Y425-L490 HydrophobicContact CD2-CD2 3.68Å; Y425-L490 HydrophobicContact CD2-CG 3.89Å; Y425-L490 HydrophobicContact CE1-CD1 4.4Å; Y425-L490 HydrophobicContact CE1-CD2 4.06Å; Y425-L490 HydrophobicContact CE2-CD1 3.93Å; Y425-L490 HydrophobicContact CE2-CD2 3.81Å; Y425-L490 HydrophobicContact CE2-CG 3.61Å; Y425-L490 HydrophobicContact CG-CD2 3.76Å; Y425-L490 HydrophobicContact CG-CG 4.46Å; V450-L490 HydrophobicContact CG1-CD1 3.87Å; V454-L490 HydrophobicContact CG2-CD1 4.48Å; V454-L490 HydrophobicContact CG2-CD2 4.43Å; L479-L490 HydrophobicContact CD1-CB 4.12Å; L479-L490 HydrophobicContact CD1-CD1 4.46Å; G486-L490 PolarHBondContact O-N 3.4Å; K487-L490 PolarHBondContact O-N 2.88Å; R488-L490 VanDerWaalsContact C-N 3.32Å; R488-L490 PolarHBondContact O-N 3.34Å; L490-I493 PolarHBondContact O-N 2.82Å; L490-I494 WeakPolarHBondContact O-CD1 3.44Å; L490-I494 VanDerWaalsContact O-CG1 3.24Å; L490-I494 WeakPolarHBondContact O-CG1 3.46Å; L490-I494 PolarHBondContact O-N 3.14Å; L490-I607 HydrophobicContact CD1-CD1 3.65Å
491V97.6Very high95.4Very high0 Ų023.7 Ų23.70%013%0.127CC..Hα-helixtrans-61.4-46.7174.8176.10000110.9L479 K487 R488 S489 I493 I494 C495 L502 V538 L540 I583L479-V491 HydrophobicContact CD1-CG2 4.13Å; K487-V491 PolarHBondContact O-N 3.37Å; R488-V491 WeakPolarHBondContact O-CB 3.47Å; R488-V491 PolarHBondContact O-N 3.19Å; S489-V491 VanDerWaalsContact C-N 3.33Å; S489-V491 PolarHBondContact O-N 2.74Å; V491-I493 VanDerWaalsContact C-N 3.31Å; V491-I493 PolarHBondContact O-N 3.39Å; V491-I494 PolarHBondContact O-N 2.86Å; V491-C495 PolarHBondContact O-N 3.5Å; V491-C495 PolarHBondContact O-SG 3.2Å; V491-C495 VanDerWaalsContact O-SG 3.39Å; V491-L502 HydrophobicContact CG1-CD1 3.77Å; V491-V538 HydrophobicContact CG1-CG1 4.25Å; V491-L540 HydrophobicContact CG1-CD1 4.16Å; V491-L540 HydrophobicContact CG1-CD2 4.29Å; V491-L540 HydrophobicContact CG2-CD1 3.86Å; V491-I583 HydrophobicContact CG2-CB 4.45Å; V491-I583 HydrophobicContact CG2-CD1 4.38Å; V491-I583 HydrophobicContact CG2-CG2 3.84Å
492N96.9Very high95.5Very high6 Ų624.1 Ų24.13%0.03213%0.129CC..Hα-helixtrans-62.8-38177.3-72.7-16.2000112.3V417 E418 Y420 R488 S489 C495 T496V417-N492 HydrophobicContact CG1-CB 4.38Å; E418-N492 PolarHBondContact OE2-ND2 3.45Å; Y420-N492 HydrophobicContact CD2-CB 3.84Å; Y420-N492 HydrophobicContact CE2-CB 4.47Å; R488-N492 PolarHBondContact O-N 3.43Å; R488-N492 VanDerWaalsContact O-N 3.09Å; S489-N492 WeakPolarHBondContact O-CB 3.32Å; S489-N492 PolarHBondContact O-N 2.86Å; N492-C495 PolarHBondContact O-N 3.45Å; N492-T496 WeakPolarHBondContact O-CB 3.35Å; N492-T496 PolarHBondContact O-N 3.33Å; N492-T496 PolarHBondContact O-OG1 3.31Å
493I97.2Very high95.6Very high3 Ų323.8 Ų23.82%0.01513%0.127CC..Hα-helixtrans-62.4-48.5174.2-71165.1000110.4M422 Y425 S489 L490 V491 C495 T496 E497M422-I493 HydrophobicContact CB-CG2 3.9Å; M422-I493 HydrophobicContact CG-CG2 4.39Å; M422-I493 HydrophobicContact SD-CG2 3.58Å; M422-I493 VanDerWaalsContact SD-CG2 3.58Å; Y425-I493 HydrophobicContact CD2-CD1 4.48Å; S489-I493 WeakPolarHBondContact O-CB 3.28Å; S489-I493 WeakPolarHBondContact O-CG1 3.49Å; S489-I493 PolarHBondContact O-N 3.26Å; L490-I493 PolarHBondContact O-N 2.82Å; V491-I493 VanDerWaalsContact C-N 3.31Å; V491-I493 PolarHBondContact O-N 3.39Å; I493-C495 VanDerWaalsContact C-N 3.27Å; I493-C495 PolarHBondContact O-N 2.89Å; I493-T496 PolarHBondContact O-N 3.41Å; I493-E497 HydrophobicContact CG2-CG 3.95Å; I493-E497 WeakPolarHBondContact O-CB 3.34Å; I493-E497 WeakPolarHBondContact O-CG 3.31Å; I493-E497 PolarHBondContact O-N 3.21Å
494I97.5Very high95.7Very high0 Ų016.9 Ų16.90%010%0.096CC..Hα-helixtrans-55.5-46.6177.4-67.3159.9000110V454 A458 I459 L462 L490 V491 T498 V538 I583V454-I494 HydrophobicContact CG1-CD1 3.67Å; V454-I494 HydrophobicContact CG1-CG1 3.55Å; A458-I494 HydrophobicContact CB-CD1 3.73Å; A458-I494 HydrophobicContact CB-CG1 3.99Å; A458-I494 HydrophobicContact CB-CG2 3.99Å; I459-I494 HydrophobicContact CG1-CG1 4.11Å; L462-I494 HydrophobicContact CD1-CG2 3.65Å; L490-I494 WeakPolarHBondContact O-CD1 3.44Å; L490-I494 VanDerWaalsContact O-CG1 3.24Å; L490-I494 WeakPolarHBondContact O-CG1 3.46Å; L490-I494 PolarHBondContact O-N 3.14Å; V491-I494 PolarHBondContact O-N 2.86Å; I494-T498 WeakPolarHBondContact O-CB 3.36Å; I494-T498 VanDerWaalsContact O-CG2 3.31Å; I494-T498 WeakPolarHBondContact O-CG2 3.01Å; I494-T498 PolarHBondContact O-N 3.4Å; I494-T498 PolarHBondContact O-OG1 3.39Å; I494-V538 HydrophobicContact CG2-CG2 4.2Å; I494-I583 HydrophobicContact CD1-CD1 3.58Å; I494-I583 HydrophobicContact CG2-CD1 4.49Å
495C96.5Very high95.8Very high3 Ų316 Ų162%0.029%0.086CC..Hα-helixtrans-65.7-37.3177.9-650000112.8V417 V491 N492 I493 G499 A500V417-C495 HydrophobicContact CB-CB 4.43Å; V417-C495 HydrophobicContact CG1-CB 3.72Å; V417-C495 HydrophobicContact CG2-CB 3.84Å; V491-C495 PolarHBondContact O-N 3.5Å; V491-C495 PolarHBondContact O-SG 3.2Å; V491-C495 VanDerWaalsContact O-SG 3.39Å; N492-C495 PolarHBondContact O-N 3.45Å; I493-C495 VanDerWaalsContact C-N 3.27Å; I493-C495 PolarHBondContact O-N 2.89Å; C495-G499 CarbonylContact O-C 3.54Å; C495-G499 VanDerWaalsContact O-CA 3.28Å; C495-G499 WeakPolarHBondContact O-CA 3.32Å; C495-G499 PolarHBondContact O-N 2.97Å; C495-A500 PolarHBondContact O-N 3.47Å
496T95.5Very high95.8Very high39 Ų3916.1 Ų16.124%0.2399%0.087CC..Hα-helixtrans-68.7-48.1-180-58.50000111.5K419 Y420 N492 I493 T498K419-T496 HydrophobicContact CB-CG2 4.42Å; Y420-T496 PolarHBondContact N-OG1 2.73Å; Y420-T496 VanDerWaalsContact O-CB 3.28Å; Y420-T496 WeakPolarHBondContact O-CB 3.35Å; Y420-T496 WeakPolarHBondContact O-CG2 3.49Å; N492-T496 WeakPolarHBondContact O-CB 3.35Å; N492-T496 PolarHBondContact O-N 3.33Å; N492-T496 PolarHBondContact O-OG1 3.31Å; I493-T496 PolarHBondContact O-N 3.41Å; T496-T498 VanDerWaalsContact C-N 3.27Å; T496-T498 PolarHBondContact O-N 3.24Å
497E95Very high95.6Very high36 Ų3616 Ų1617%0.1689%0.085CC..Hα-helixtrans-71.7-21.3-176.8-65.2-68.6173.400112.7I30 V35 S421 M422 I459 I493I30-E497 HydrophobicContact CD1-CB 4.38Å; I30-E497 HydrophobicContact CD1-CG 3.96Å; I30-E497 HydrophobicContact CG2-CB 4.23Å; V35-E497 WeakPolarHBondContact CG2-O 3.44Å; S421-E497 VanDerWaalsContact CA-OE1 3.32Å; S421-E497 WeakPolarHBondContact CA-OE1 3.4Å; S421-E497 PolarHBondContact OG-OE1 3.48Å; M422-E497 HydrophobicContact CB-CG 4.41Å; M422-E497 PolarHBondContact N-OE1 3.44Å; I459-E497 HydrophobicContact CD1-CB 4.39Å; I459-E497 HydrophobicContact CG2-CB 4.12Å; I493-E497 HydrophobicContact CG2-CG 3.95Å; I493-E497 WeakPolarHBondContact O-CB 3.34Å; I493-E497 WeakPolarHBondContact O-CG 3.31Å; I493-E497 PolarHBondContact O-N 3.21Å
498T94.9Very high95.3Very high4 Ų420.9 Ų20.93%0.02511%0.108CC..Hα-helixtrans-107.9-11.2-18062.60000113.9I459 L462 I494 T496 A500 P536I459-T498 HydrophobicContact CB-CG2 4.34Å; I459-T498 HydrophobicContact CG2-CG2 3.87Å; I459-T498 WeakPolarHBondContact O-CG2 3.17Å; L462-T498 HydrophobicContact CB-CG2 3.79Å; I494-T498 WeakPolarHBondContact O-CB 3.36Å; I494-T498 VanDerWaalsContact O-CG2 3.31Å; I494-T498 WeakPolarHBondContact O-CG2 3.01Å; I494-T498 PolarHBondContact O-N 3.4Å; I494-T498 PolarHBondContact O-OG1 3.39Å; T496-T498 VanDerWaalsContact C-N 3.27Å; T496-T498 PolarHBondContact O-N 3.24Å; T498-A500 VanDerWaalsContact C-N 3.25Å; T498-A500 PolarHBondContact O-N 3.41Å; T498-A500 WeakPolarHBondContact OG1-CB 3.18Å; T498-A500 PolarHBondContact OG1-N 2.9Å; T498-P536 WeakPolarHBondContact O-CG 3.4Å
499G93.7Very high95.2Very high10 Ų1015.7 Ų15.710%0.1039%0.089CC..THydrogen-bonded Turntrans65.625.6-170.100000113.5L42 R45 C495L42-G499 VanDerWaalsContact CD2-O 3.26Å; L42-G499 WeakPolarHBondContact CD2-O 3.37Å; R45-G499 PolarHBondContact NH2-O 3.21Å; C495-G499 CarbonylContact O-C 3.54Å; C495-G499 VanDerWaalsContact O-CA 3.28Å; C495-G499 WeakPolarHBondContact O-CA 3.32Å; C495-G499 PolarHBondContact O-N 2.97Å
500A95.3Very high94.9Very high3 Ų313.5 Ų13.53%0.0257%0.074CC..  trans-76.1148.7-177.200000113.6C495 T498 P536 V538C495-A500 PolarHBondContact O-N 3.47Å; T498-A500 VanDerWaalsContact C-N 3.25Å; T498-A500 PolarHBondContact O-N 3.41Å; T498-A500 WeakPolarHBondContact OG1-CB 3.18Å; T498-A500 PolarHBondContact OG1-N 2.9Å; A500-P536 VanDerWaalsContact CA-O 3.22Å; A500-P536 WeakPolarHBondContact CA-O 3.39Å; A500-P536 HydrophobicContact CB-CB 4.03Å; A500-P536 HydrophobicContact CB-CG 4.05Å; A500-V538 HydrophobicContact CB-CG2 3.87Å
501N95.2Very high94.3Very high8 Ų814.5 Ų14.54%0.0438%0.083CC..EExtended strand (participates in β ladder)trans-70.9141.3168-72.5-53.1000110.8R45 F503 L534 P536 V538R45-N501 PolarHBondContact NE-OD1 3.45Å; R45-N501 PolarHBondContact NH1-ND2 2.92Å; R45-N501 PolarHBondContact NH1-OD1 2.65Å; R45-N501 VanDerWaalsContact NH1-OD1 3.09Å; N501-F503 HydrophobicContact CB-CD2 4.35Å; N501-F503 HydrophobicContact CB-CE2 3.71Å; N501-F503 HydrophobicContact CB-CZ 4.33Å; N501-L534 WeakPolarHBondContact ND2-CB 3.42Å; N501-L534 PolarHBondContact ND2-O 3.03Å; N501-P536 PolarHBondContact N-O 2.9Å; N501-V538 PolarHBondContact O-N 3.32Å
502L97.1Very high93.6Very high8 Ų822 Ų224%0.04212%0.122CC..EExtended strand (participates in β ladder)trans-105.9113.2176-178.862.3000110.9I414 R415 V417 V491 V538 L540I414-L502 WeakPolarHBondContact CA-O 3.43Å; R415-L502 HydrophobicContact CB-CD2 4.48Å; R415-L502 PolarHBondContact N-O 3.14Å; V417-L502 HydrophobicContact CG2-CB 3.67Å; V417-L502 HydrophobicContact CG2-CD2 4.24Å; V491-L502 HydrophobicContact CG1-CD1 3.77Å; L502-V538 HydrophobicContact CD1-CG1 4.14Å; L502-L540 HydrophobicContact CD1-CB 3.86Å; L502-L540 HydrophobicContact CD1-CD2 4.4Å
503F97.2Very high93Very high0 Ų024.7 Ų24.70%013%0.134CC..EExtended strand (participates in β ladder)trans-100.5118171.8-61.3-95.6000109.6L408 I413 I414 N501 V527 V530 V538 I539 L540L408-F503 HydrophobicContact CD1-CD1 4.48Å; L408-F503 HydrophobicContact CD1-CE1 3.95Å; I413-F503 HydrophobicContact CG2-CD1 4.33Å; I413-F503 CarbonylContact O-C 3.36Å; I413-F503 VanDerWaalsContact O-CA 3.31Å; I413-F503 WeakPolarHBondContact O-CA 3.2Å; I414-F503 HydrophobicContact CD1-CD1 4.21Å; I414-F503 HydrophobicContact CD1-CE1 3.53Å; I414-F503 HydrophobicContact CD1-CZ 4.07Å; I414-F503 HydrophobicContact CG1-CD1 3.53Å; I414-F503 HydrophobicContact CG1-CE1 3.38Å; I414-F503 HydrophobicContact CG1-CG 4.4Å; I414-F503 HydrophobicContact CG1-CZ 4.14Å; N501-F503 HydrophobicContact CB-CD2 4.35Å; N501-F503 HydrophobicContact CB-CE2 3.71Å; N501-F503 HydrophobicContact CB-CZ 4.33Å; F503-V527 HydrophobicContact CB-CG1 3.97Å; F503-V527 HydrophobicContact CD1-CB 4.37Å; F503-V527 HydrophobicContact CD1-CG1 3.8Å; F503-V527 HydrophobicContact CD1-CG2 4.12Å; F503-V527 HydrophobicContact CE1-CG1 4.43Å; F503-V527 HydrophobicContact CG-CG1 3.88Å; F503-V530 HydrophobicContact CE1-CB 4.4Å; F503-V530 HydrophobicContact CE1-CG1 4.18Å; F503-V530 HydrophobicContact CZ-CB 4.4Å; F503-V530 HydrophobicContact CZ-CG1 4Å; F503-V538 PolarHBondContact N-O 3.18Å; F503-I539 HydrophobicContact CB-CG1 4.26Å; F503-I539 HydrophobicContact CD2-CG1 4.44Å; F503-I539 CarbonylContact O-C 3.6Å; F503-I539 WeakPolarHBondContact O-CA 3.31Å; F503-L540 PolarHBondContact O-N 3.46Å
504D96.5Very high92.6Very high4 Ų426.6 Ų26.62%0.02114%0.141CC..EExtended strand (participates in β ladder)trans-96.3102.3178.2-170.7-6.7000111.1I413 R415 S506 N509I413-D504 PolarHBondContact O-N 2.93Å; R415-D504 HydrophobicContact CG-CB 4.15Å; R415-D504 IonicContact CZ-OD2 2.86Å; R415-D504 IonicContact NE-OD2 2.88Å; R415-D504 PolarHBondContact NE-OD2 3.31Å; R415-D504 VanDerWaalsContact NE-OD2 3.16Å; R415-D504 IonicContact NH1-OD2 2.75Å; R415-D504 PolarHBondContact NH1-OD2 3.32Å; R415-D504 VanDerWaalsContact NH1-OD2 3.16Å; R415-D504 IonicContact NH2-OD2 2.79Å; D504-S506 WeakPolarHBondContact OD1-CB 3.33Å; D504-S506 PolarHBondContact OD1-N 3.37Å; D504-S506 PolarHBondContact OD1-OG 3Å; D504-N509 PolarHBondContact O-ND2 3.13Å
505L95.2Very high92Very high0 Ų031.7 Ų31.70%017%0.174CC..  trans-101.326.2174.3-70.8-174.1000112.7I413 I510 L523 V527 I539 L540 I541 L563I413-L505 HydrophobicContact CD1-CD2 4.45Å; I413-L505 HydrophobicContact CG2-CD2 4.17Å; L505-I510 VanDerWaalsContact C-CD1 3.49Å; L505-I510 HydrophobicContact CB-CD1 3.9Å; L505-I510 HydrophobicContact CD2-CD1 3.73Å; L505-I510 HydrophobicContact CD2-CG1 4.16Å; L505-I510 HydrophobicContact CG-CD1 4.42Å; L505-I510 WeakPolarHBondContact O-CD1 3.42Å; L505-L523 HydrophobicContact CD2-CD2 4.07Å; L505-L523 HydrophobicContact CD2-CG 4.26Å; L505-V527 HydrophobicContact CD1-CG1 4.22Å; L505-V527 HydrophobicContact CD2-CG2 4.16Å; L505-I539 HydrophobicContact CB-CG2 4.31Å; L505-I539 HydrophobicContact CD1-CG2 3.63Å; L505-I539 HydrophobicContact CG-CG2 4.01Å; L505-L540 WeakPolarHBondContact CA-O 3.49Å; L505-L540 PolarHBondContact N-O 3.44Å; L505-I541 HydrophobicContact CB-CG1 4.06Å; L505-L563 WeakPolarHBondContact O-CD1 3.37Å
506S93.5Very high91.5Very high6 Ų634.3 Ų34.34%0.04220%0.202CC..  trans-63.4143.8173.7-53.10000111.1D504 E508 N509 I510 N542D504-S506 WeakPolarHBondContact OD1-CB 3.33Å; D504-S506 PolarHBondContact OD1-N 3.37Å; D504-S506 PolarHBondContact OD1-OG 3Å; S506-E508 VanDerWaalsContact C-N 3.25Å; S506-E508 PolarHBondContact O-N 3.09Å; S506-N509 PolarHBondContact O-N 3.05Å; S506-I510 WeakPolarHBondContact O-CG1 3.46Å; S506-I510 PolarHBondContact O-N 2.87Å; S506-N542 WeakPolarHBondContact OG-CB 3.41Å; S506-N542 PolarHBondContact OG-N 3.42Å; S506-N542 PolarHBondContact OG-ND2 2.78Å
507A90.8Very high91Very high14 Ų1441.2 Ų41.212%0.11623%0.229CC..Hα-helixtrans-56.3-39.7-175.500000113N509 I510 A511 P560A507-N509 VanDerWaalsContact C-N 3.35Å; A507-N509 PolarHBondContact O-N 3.33Å; A507-I510 PolarHBondContact O-N 3.3Å; A507-A511 PolarHBondContact O-N 2.72Å; A507-P560 HydrophobicContact CB-CB 3.65Å
508E89.7Confident90.6Very high123 Ų12345.5 Ų45.558%0.57525%0.252SS*.Hα-helixtrans-63.2-37.7175.8-67.1168.3-165.200112.4S506 K546 T558S506-E508 VanDerWaalsContact C-N 3.25Å; S506-E508 PolarHBondContact O-N 3.09Å; E508-K546 IonicContact OE1-NZ 3.69Å; E508-K546 PolarHBondContact OE1-NZ 3.29Å; E508-T558 HydrophobicContact CG-CG2 4.26Å
509N90.9Very high90.3Very high16 Ų1646.1 Ų46.19%0.08626%0.26CS..Hα-helixtrans-76.7-33.6-178.5-170.948.3000112.7G412 R415 D504 S506 A507 K513G412-N509 PolarHBondContact O-ND2 2.83Å; G412-N509 PolarHBondContact O-OD1 3.09Å; R415-N509 PolarHBondContact NH2-OD1 3.24Å; D504-N509 PolarHBondContact O-ND2 3.13Å; S506-N509 PolarHBondContact O-N 3.05Å; A507-N509 VanDerWaalsContact C-N 3.35Å; A507-N509 PolarHBondContact O-N 3.33Å; N509-K513 VanDerWaalsContact O-CD 3.28Å; N509-K513 WeakPolarHBondContact O-CD 3.31Å; N509-K513 WeakPolarHBondContact O-CE 3.33Å; N509-K513 PolarHBondContact O-NZ 3.33Å; N509-K513 PolarHBondContact OD1-NZ 3.13Å
510I89.9Confident90.1Very high0 Ų046 Ų460%026%0.257CS..Hα-helixtrans-85.8-14.5179.1-45.1163.7000110.4I413 L505 S506 A507 D512 K513 L523 R562 L563I413-I510 HydrophobicContact CD1-CG1 4.24Å; L505-I510 VanDerWaalsContact C-CD1 3.49Å; L505-I510 HydrophobicContact CB-CD1 3.9Å; L505-I510 HydrophobicContact CD2-CD1 3.73Å; L505-I510 HydrophobicContact CD2-CG1 4.16Å; L505-I510 HydrophobicContact CG-CD1 4.42Å; L505-I510 WeakPolarHBondContact O-CD1 3.42Å; S506-I510 WeakPolarHBondContact O-CG1 3.46Å; S506-I510 PolarHBondContact O-N 2.87Å; A507-I510 PolarHBondContact O-N 3.3Å; I510-D512 PolarHBondContact O-N 3.25Å; I510-K513 HydrophobicContact CG2-CB 4.48Å; I510-K513 WeakPolarHBondContact O-CA 3.38Å; I510-K513 WeakPolarHBondContact O-CB 3.48Å; I510-K513 PolarHBondContact O-N 3.16Å; I510-L523 HydrophobicContact CD1-CD2 4.35Å; I510-L523 HydrophobicContact CG1-CD2 4.34Å; I510-L523 HydrophobicContact CG2-CD2 3.38Å; I510-R562 PolarHBondContact O-NH2 3.3Å; I510-L563 HydrophobicContact CD1-CD1 3.67Å; I510-L563 HydrophobicContact CD1-CG 4.41Å
511A84.1Confident89.9Confident22 Ų2251.4 Ų51.418%0.18228%0.277CS..THydrogen-bonded Turntrans-48.2132.917900000110A507 K513 T558A507-A511 PolarHBondContact O-N 2.72Å; A511-K513 PolarHBondContact O-N 3.47Å; A511-T558 HydrophobicContact CB-CG2 4.29Å
512D82.5Confident89.6Confident156 Ų15653.8 Ų53.883%0.83429%0.288SS*.THydrogen-bonded Turntrans64.6-11.1-174.3-50.5-40.2000117.5I510I510-D512 PolarHBondContact O-N 3.25Å
513K85.9Confident89.5Confident64 Ų6453.4 Ų53.428%0.27829%0.286SS..SBendtrans-87.5136.1175.4-54.1-179.4-168.5162.40110.9A411 N509 I510 A511 R562A411-K513 WeakPolarHBondContact O-CD 3.4Å; A411-K513 VanDerWaalsContact O-CE 3.22Å; A411-K513 WeakPolarHBondContact O-CE 3.43Å; A411-K513 PolarHBondContact O-NZ 2.82Å; N509-K513 VanDerWaalsContact O-CD 3.28Å; N509-K513 WeakPolarHBondContact O-CD 3.31Å; N509-K513 WeakPolarHBondContact O-CE 3.33Å; N509-K513 PolarHBondContact O-NZ 3.33Å; N509-K513 PolarHBondContact OD1-NZ 3.13Å; I510-K513 HydrophobicContact CG2-CB 4.48Å; I510-K513 WeakPolarHBondContact O-CA 3.38Å; I510-K513 WeakPolarHBondContact O-CB 3.48Å; I510-K513 PolarHBondContact O-N 3.16Å; A511-K513 PolarHBondContact O-N 3.47Å; K513-R562 PolarHBondContact O-NH1 2.84Å; K513-R562 VanDerWaalsContact O-NH1 3.14Å
514Y88.2Confident89.3Confident43 Ų4353.7 Ų53.717%0.16929%0.288CS..SBendtrans49.967.9-179-62.5-94.8000113E407 A411 L523E407-Y514 WeakPolarHBondContact CG-OH 3.49Å; E407-Y514 PolarHBondContact OE1-OH 2.83Å; A411-Y514 HydrophobicContact CB-CE2 4.22Å; Y514-L523 HydrophobicContact CD1-CB 4.28Å; Y514-L523 HydrophobicContact CD2-CB 4.14Å; Y514-L523 HydrophobicContact CD2-CD1 4Å; Y514-L523 HydrophobicContact CD2-CD2 4.18Å; Y514-L523 HydrophobicContact CD2-CG 4.33Å; Y514-L523 HydrophobicContact CE2-CD1 3.87Å; Y514-L523 HydrophobicContact CG-CB 3.97Å
515P84.8Confident89.1Confident107 Ų10755.7 Ų55.770%0.69530%0.297SS*.  trans-64.5152.4-176.327-34.6000112.3
516G85.9Confident89Confident58 Ų5855.7 Ų55.760%0.59830%0.297SS*.Hα-helixtrans79.5173178.200000114.8L520G516-L520 PolarHBondContact O-N 3.35Å; G516-L520 VanDerWaalsContact O-N 3.12Å
517K84.8Confident89.1Confident184 Ų18455.4 Ų55.480%0.830%0.295SS*.Hα-helixtrans-68.2-39.9-178.1-74.1177.2-178164.60112.4R521K517-R521 WeakPolarHBondContact O-CB 3.46Å; K517-R521 PolarHBondContact O-N 2.99Å
518D86.3Confident89.3Confident125 Ų12555.3 Ų55.367%0.66829%0.292SS*.Hα-helixtrans-72.8-37.8-179.2-66.7-39.1000111.6R521 M522D518-R521 PolarHBondContact O-N 3.14Å; D518-M522 WeakPolarHBondContact O-CB 3.34Å; D518-M522 PolarHBondContact O-N 2.59Å
519G88.9Confident89.5Confident18 Ų1851 Ų5119%0.18627%0.272CS..Hα-helixtrans-58.8-49.2171.300000111.7R521 M522 L523G519-R521 PolarHBondContact O-N 3.48Å; G519-M522 WeakPolarHBondContact O-CB 3.4Å; G519-M522 PolarHBondContact O-N 3.05Å; G519-L523 PolarHBondContact O-N 3.33Å
520L89.5Confident89.7Confident6 Ų650.3 Ų50.33%0.03127%0.267CS..Hα-helixtrans-61.8-42.9177-174.270.2000112.6G516 M522 L523 V524 R562 L563G516-L520 PolarHBondContact O-N 3.35Å; G516-L520 VanDerWaalsContact O-N 3.12Å; L520-M522 VanDerWaalsContact C-N 3.27Å; L520-M522 PolarHBondContact O-N 2.73Å; L520-L523 HydrophobicContact CD1-CD2 4.47Å; L520-L523 PolarHBondContact O-N 2.77Å; L520-V524 WeakPolarHBondContact O-CG2 3.5Å; L520-V524 PolarHBondContact O-N 3.24Å; L520-R562 HydrophobicContact CD1-CG 4.12Å; L520-R562 VanDerWaalsContact CD2-C 3.46Å; L520-R562 HydrophobicContact CD2-CB 3.73Å; L520-R562 HydrophobicContact CD2-CG 3.63Å; L520-R562 WeakPolarHBondContact CD2-O 3.28Å; L520-R562 HydrophobicContact CG-CG 4.49Å; L520-L563 HydrophobicContact CD1-CD2 3.72Å; L520-L563 HydrophobicContact CD1-CG 4.24Å; L520-L563 HydrophobicContact CD2-CD2 4.4Å; L520-L563 HydrophobicContact CG-CD2 4.31Å
521R90Very high89.9Confident118 Ų11850.3 Ų50.345%0.44527%0.267SS..Hα-helixtrans-62.3-38.2176.7179.4-179.9155.9-156.4-7.3111.1K517 D518 G519 H525K517-R521 WeakPolarHBondContact O-CB 3.46Å; K517-R521 PolarHBondContact O-N 2.99Å; D518-R521 PolarHBondContact O-N 3.14Å; G519-R521 PolarHBondContact O-N 3.48Å; R521-H525 VanDerWaalsContact O-CB 3.28Å; R521-H525 WeakPolarHBondContact O-CB 3.38Å; R521-H525 PolarHBondContact O-N 3.25Å
522M90.7Very high90.4Very high57 Ų5753.9 Ų53.928%0.28128%0.276SS..Hα-helixtrans-63.5-48.2173.7-172.262.87600111L395 T396 D518 G519 L520 V524 H525 L526L395-M522 HydrophobicContact CB-CE 3.87Å; L395-M522 HydrophobicContact CB-SD 3.78Å; L395-M522 HydrophobicContact CD2-CE 4.13Å; L395-M522 HydrophobicContact CG-CE 4.48Å; T396-M522 HydrophobicContact CG2-SD 3.83Å; D518-M522 WeakPolarHBondContact O-CB 3.34Å; D518-M522 PolarHBondContact O-N 2.59Å; G519-M522 WeakPolarHBondContact O-CB 3.4Å; G519-M522 PolarHBondContact O-N 3.05Å; L520-M522 VanDerWaalsContact C-N 3.27Å; L520-M522 PolarHBondContact O-N 2.73Å; M522-V524 PolarHBondContact O-N 3.49Å; M522-H525 WeakPolarHBondContact O-CB 3.22Å; M522-H525 PolarHBondContact O-N 2.7Å; M522-L526 HydrophobicContact CG-CD1 3.63Å; M522-L526 WeakPolarHBondContact O-CB 3.46Å; M522-L526 WeakPolarHBondContact O-CD1 3.41Å; M522-L526 PolarHBondContact O-N 3.07Å; M522-L526 HydrophobicContact SD-CD1 3.98Å
523L93.7Very high90.9Very high0 Ų051.4 Ų51.40%026%0.262CS..Hα-helixtrans-57.3-50.4177173.663.6000112L408 I413 L505 I510 Y514 G519 L520 H525 L526 V527L408-L523 HydrophobicContact CD2-CD1 3.99Å; I413-L523 HydrophobicContact CD1-CD1 4.13Å; I413-L523 HydrophobicContact CD1-CD2 4.4Å; I413-L523 HydrophobicContact CG1-CD1 3.94Å; I413-L523 HydrophobicContact CG2-CD1 4.44Å; L505-L523 HydrophobicContact CD2-CD2 4.07Å; L505-L523 HydrophobicContact CD2-CG 4.26Å; I510-L523 HydrophobicContact CD1-CD2 4.35Å; I510-L523 HydrophobicContact CG1-CD2 4.34Å; I510-L523 HydrophobicContact CG2-CD2 3.38Å; Y514-L523 HydrophobicContact CD1-CB 4.28Å; Y514-L523 HydrophobicContact CD2-CB 4.14Å; Y514-L523 HydrophobicContact CD2-CD1 4Å; Y514-L523 HydrophobicContact CD2-CD2 4.18Å; Y514-L523 HydrophobicContact CD2-CG 4.33Å; Y514-L523 HydrophobicContact CE2-CD1 3.87Å; Y514-L523 HydrophobicContact CG-CB 3.97Å; G519-L523 PolarHBondContact O-N 3.33Å; L520-L523 HydrophobicContact CD1-CD2 4.47Å; L520-L523 PolarHBondContact O-N 2.77Å; L523-H525 VanDerWaalsContact C-N 3.29Å; L523-H525 PolarHBondContact O-N 3.14Å; L523-L526 PolarHBondContact O-N 2.91Å; L523-V527 HydrophobicContact CD1-CG2 4.05Å; L523-V527 WeakPolarHBondContact O-CG2 3.31Å; L523-V527 PolarHBondContact O-N 3.49Å
524V93.5Very high91.2Very high6 Ų650.2 Ų50.24%0.03626%0.259CS..Hα-helixtrans-62-40178.71750000110.4L520 M522 F528 L563 E566 A570L520-V524 WeakPolarHBondContact O-CG2 3.5Å; L520-V524 PolarHBondContact O-N 3.24Å; M522-V524 PolarHBondContact O-N 3.49Å; V524-F528 HydrophobicContact CG1-CD2 3.97Å; V524-F528 HydrophobicContact CG1-CE2 4.02Å; V524-F528 VanDerWaalsContact O-CD2 3.23Å; V524-F528 WeakPolarHBondContact O-CD2 3.12Å; V524-F528 PolarHBondContact O-N 2.99Å; V524-F528 VanDerWaalsContact O-N 3.12Å; V524-L563 HydrophobicContact CG2-CD2 3.84Å; V524-E566 HydrophobicContact CG2-CB 4.38Å; V524-A570 HydrophobicContact CG1-CB 3.45Å; V524-A570 VanDerWaalsContact CG1-CB 3.45Å
525H92.1Very high91.5Very high46 Ų4650.7 Ų50.721%0.21326%0.263CS..Hα-helixtrans-62.2-46.4174.5178.477.2000112.3D394 L395 R521 M522 L523 K529D394-H525 IonicContact OD1-CD2 3.24Å; D394-H525 IonicContact OD1-CE1 3.66Å; D394-H525 PolarHBondContact OD1-CE1 2.9Å; D394-H525 IonicContact OD1-NE2 3.99Å; D394-H525 PolarHBondContact OD1-NE2 2.95Å; L395-H525 HydrophobicContact CD1-CB 3.79Å; L395-H525 PolarHBondContact N-NE2 3.21Å; R521-H525 VanDerWaalsContact O-CB 3.28Å; R521-H525 WeakPolarHBondContact O-CB 3.38Å; R521-H525 PolarHBondContact O-N 3.25Å; M522-H525 WeakPolarHBondContact O-CB 3.22Å; M522-H525 PolarHBondContact O-N 2.7Å; L523-H525 VanDerWaalsContact C-N 3.29Å; L523-H525 PolarHBondContact O-N 3.14Å; H525-K529 WeakPolarHBondContact O-CB 3.49Å; H525-K529 PolarHBondContact O-N 3.27Å
526L93.7Very high92Very high0 Ų046.1 Ų46.10%023%0.233CC..Hα-helixtrans-58.6-51.2176.9-99.7119.3000111.4L404 L408 M522 L523 F528 K529 V530L404-L526 HydrophobicContact CB-CD2 4.07Å; L404-L526 HydrophobicContact CD2-CD2 3.48Å; L404-L526 VanDerWaalsContact CD2-CD2 3.48Å; L404-L526 HydrophobicContact CD2-CG 4.11Å; L404-L526 HydrophobicContact CG-CD2 4.33Å; L408-L526 HydrophobicContact CD1-CB 4.4Å; L408-L526 HydrophobicContact CD1-CD2 4.38Å; L408-L526 HydrophobicContact CD2-CB 4.24Å; L408-L526 HydrophobicContact CD2-CD2 4.3Å; L408-L526 HydrophobicContact CG-CD2 4.13Å; M522-L526 HydrophobicContact CG-CD1 3.63Å; M522-L526 WeakPolarHBondContact O-CB 3.46Å; M522-L526 WeakPolarHBondContact O-CD1 3.41Å; M522-L526 PolarHBondContact O-N 3.07Å; M522-L526 HydrophobicContact SD-CD1 3.98Å; L523-L526 PolarHBondContact O-N 2.91Å; L526-F528 PolarHBondContact O-N 2.83Å; L526-K529 PolarHBondContact O-N 2.86Å; L526-V530 WeakPolarHBondContact O-CB 3.48Å; L526-V530 WeakPolarHBondContact O-CG2 3.36Å; L526-V530 PolarHBondContact O-N 3.46Å
527V95.5Very high92.5Very high0 Ų043.3 Ų43.30%020%0.204CC..Hα-helixtrans-60.3-45.9-178169.50000111.3L408 I413 F503 L505 L523 G531 I539L408-V527 HydrophobicContact CD1-CG2 4.44Å; L408-V527 HydrophobicContact CD2-CG2 4.13Å; I413-V527 HydrophobicContact CG2-CG2 3.76Å; F503-V527 HydrophobicContact CB-CG1 3.97Å; F503-V527 HydrophobicContact CD1-CB 4.37Å; F503-V527 HydrophobicContact CD1-CG1 3.8Å; F503-V527 HydrophobicContact CD1-CG2 4.12Å; F503-V527 HydrophobicContact CE1-CG1 4.43Å; F503-V527 HydrophobicContact CG-CG1 3.88Å; L505-V527 HydrophobicContact CD1-CG1 4.22Å; L505-V527 HydrophobicContact CD2-CG2 4.16Å; L523-V527 HydrophobicContact CD1-CG2 4.05Å; L523-V527 WeakPolarHBondContact O-CG2 3.31Å; L523-V527 PolarHBondContact O-N 3.49Å; V527-G531 WeakPolarHBondContact O-CA 3.36Å; V527-G531 PolarHBondContact O-N 2.58Å; V527-I539 HydrophobicContact CG1-CD1 3.84Å; V527-I539 HydrophobicContact CG1-CG1 4.02Å
528F95.2Very high93.1Very high12 Ų1234.6 Ų34.65%0.05317%0.166CC..Hα-helixtrans-71.3-33.7178.8-81.7-105.8000112.4V524 L526 R532 I539 L567 A570 M571 L574V524-F528 HydrophobicContact CG1-CD2 3.97Å; V524-F528 HydrophobicContact CG1-CE2 4.02Å; V524-F528 VanDerWaalsContact O-CD2 3.23Å; V524-F528 WeakPolarHBondContact O-CD2 3.12Å; V524-F528 PolarHBondContact O-N 2.99Å; V524-F528 VanDerWaalsContact O-N 3.12Å; L526-F528 PolarHBondContact O-N 2.83Å; F528-R532 WeakPolarHBondContact O-CB 3.45Å; F528-R532 WeakPolarHBondContact O-CD 3.28Å; F528-R532 WeakPolarHBondContact O-CG 3.4Å; F528-R532 PolarHBondContact O-N 3.19Å; F528-R532 VanDerWaalsContact O-N 3.13Å; F528-I539 HydrophobicContact CD2-CD1 4.13Å; F528-I539 HydrophobicContact CE1-CD1 4.28Å; F528-I539 HydrophobicContact CE2-CD1 3.75Å; F528-I539 HydrophobicContact CZ-CD1 3.83Å; F528-L567 HydrophobicContact CE2-CD1 4.07Å; F528-L567 HydrophobicContact CZ-CD1 4.15Å; F528-A570 HydrophobicContact CD1-CB 4.11Å; F528-A570 HydrophobicContact CD2-CB 3.84Å; F528-A570 HydrophobicContact CE1-CB 3.91Å; F528-A570 HydrophobicContact CE2-CB 3.62Å; F528-A570 HydrophobicContact CG-CB 4.07Å; F528-A570 HydrophobicContact CZ-CB 3.65Å; F528-M571 HydrophobicContact CE1-SD 3.68Å; F528-M571 HydrophobicContact CZ-CG 4.36Å; F528-M571 HydrophobicContact CZ-SD 3.53Å; F528-M571 VanDerWaalsContact CZ-SD 3.53Å; F528-L574 HydrophobicContact CD1-CD1 4.37Å; F528-L574 HydrophobicContact CD1-CD2 3.96Å; F528-L574 HydrophobicContact CD1-CG 4.12Å; F528-L574 HydrophobicContact CE1-CD1 3.87Å; F528-L574 HydrophobicContact CE1-CD2 4.3Å; F528-L574 HydrophobicContact CE1-CG 4.02Å
529K93.7Very high93.7Very high34 Ų3428.7 Ų28.715%0.14814%0.135CC..Hα-helixtrans-67.1-51.6175.5178.6172.5171.5173.90111.3D394 T396 L404 H525 L526 R532 L533D394-K529 VanDerWaalsContact CG-NZ 3.29Å; D394-K529 IonicContact OD1-NZ 3.87Å; D394-K529 PolarHBondContact OD1-NZ 2.79Å; D394-K529 VanDerWaalsContact OD1-NZ 3.08Å; D394-K529 WeakPolarHBondContact OD2-CE 3.21Å; D394-K529 IonicContact OD2-NZ 3.41Å; D394-K529 PolarHBondContact OD2-NZ 2.91Å; T396-K529 PolarHBondContact O-NZ 2.84Å; T396-K529 PolarHBondContact OG1-NZ 3.43Å; L404-K529 HydrophobicContact CD1-CD 4.24Å; H525-K529 WeakPolarHBondContact O-CB 3.49Å; H525-K529 PolarHBondContact O-N 3.27Å; L526-K529 PolarHBondContact O-N 2.86Å; K529-R532 PolarHBondContact O-N 3.49Å; K529-L533 HydrophobicContact CG-CD1 4.15Å; K529-L533 WeakPolarHBondContact O-CG 3.19Å; K529-L533 PolarHBondContact O-N 3.34Å; K529-L533 VanDerWaalsContact O-N 3.15Å
530V95Very high94.1Very high0 Ų028 Ų280%013%0.127CC..Hα-helixtrans-65.8-42.9179.5177.30000110.5L401 L404 F405 L408 I414 F503 L526 R532 L533 L534L401-V530 HydrophobicContact CD1-CG1 4.27Å; L401-V530 HydrophobicContact CD1-CG2 4.36Å; L404-V530 HydrophobicContact CB-CG2 3.66Å; L404-V530 HydrophobicContact CD1-CG2 4.37Å; F405-V530 HydrophobicContact CD2-CG1 4.19Å; L408-V530 HydrophobicContact CD1-CB 3.98Å; L408-V530 HydrophobicContact CD1-CG1 4.26Å; L408-V530 HydrophobicContact CD1-CG2 3.82Å; I414-V530 HydrophobicContact CD1-CG1 4.47Å; F503-V530 HydrophobicContact CE1-CB 4.4Å; F503-V530 HydrophobicContact CE1-CG1 4.18Å; F503-V530 HydrophobicContact CZ-CB 4.4Å; F503-V530 HydrophobicContact CZ-CG1 4Å; L526-V530 WeakPolarHBondContact O-CB 3.48Å; L526-V530 WeakPolarHBondContact O-CG2 3.36Å; L526-V530 PolarHBondContact O-N 3.46Å; V530-R532 VanDerWaalsContact C-N 3.29Å; V530-R532 PolarHBondContact O-N 3.16Å; V530-L533 PolarHBondContact O-N 2.87Å; V530-L533 VanDerWaalsContact O-N 3.09Å; V530-L534 HydrophobicContact CG1-CD1 3.68Å; V530-L534 HydrophobicContact CG1-CG 4.38Å; V530-L534 PolarHBondContact O-N 3.47Å
531G94.6Very high94.4Very high0 Ų027.8 Ų27.80%013%0.126CC..Hα-helixtrans-61.5-34.1177.900000113.8V527 Q535 S537V527-G531 WeakPolarHBondContact O-CA 3.36Å; V527-G531 PolarHBondContact O-N 2.58Å; G531-Q535 WeakPolarHBondContact O-CG 3.4Å; G531-S537 WeakPolarHBondContact CA-OG 3.32Å; G531-S537 PolarHBondContact O-OG 2.54Å
532R94.5Very high94.6Very high97 Ų9723.9 Ų23.937%0.36611%0.114SC..Hα-helixtrans-76.2-27.3174.1-71.7172.768.9-154.30.7113.6F528 K529 V530 Q535 L574 D578 V580F528-R532 WeakPolarHBondContact O-CB 3.45Å; F528-R532 WeakPolarHBondContact O-CD 3.28Å; F528-R532 WeakPolarHBondContact O-CG 3.4Å; F528-R532 PolarHBondContact O-N 3.19Å; F528-R532 VanDerWaalsContact O-N 3.13Å; K529-R532 PolarHBondContact O-N 3.49Å; V530-R532 VanDerWaalsContact C-N 3.29Å; V530-R532 PolarHBondContact O-N 3.16Å; R532-Q535 WeakPolarHBondContact O-CG 3.38Å; R532-Q535 PolarHBondContact O-NE2 3.23Å; R532-L574 HydrophobicContact CG-CD2 4.04Å; R532-D578 HydrophobicContact CG-CB 4.28Å; R532-D578 IonicContact CZ-OD1 2.69Å; R532-D578 IonicContact CZ-OD2 3.53Å; R532-D578 VanDerWaalsContact NE-CG 3.25Å; R532-D578 IonicContact NE-OD1 3.88Å; R532-D578 PolarHBondContact NE-OD1 3.16Å; R532-D578 IonicContact NE-OD2 2.66Å; R532-D578 PolarHBondContact NE-OD2 3.49Å; R532-D578 IonicContact NH2-OD1 2.73Å; R532-D578 PolarHBondContact NH2-OD1 2.89Å; R532-D578 IonicContact NH2-OD2 2.77Å; R532-V580 HydrophobicContact CG-CG2 4.05Å
533L92.9Very high94.8Very high104 Ų10423.2 Ų23.255%0.54511%0.111SC..Hα-helixtrans-83.2-27.9176.9-68.5171.4000112L401 K529 V530L401-L533 HydrophobicContact CD1-CB 3.84Å; L401-L533 HydrophobicContact CD1-CD1 3.82Å; L401-L533 HydrophobicContact CD1-CG 4.49Å; L401-L533 HydrophobicContact CD2-CB 4.09Å; K529-L533 HydrophobicContact CG-CD1 4.15Å; K529-L533 WeakPolarHBondContact O-CG 3.19Å; K529-L533 PolarHBondContact O-N 3.34Å; K529-L533 VanDerWaalsContact O-N 3.15Å; V530-L533 PolarHBondContact O-N 2.87Å; V530-L533 VanDerWaalsContact O-N 3.09Å
534L92.4Very high94.8Very high40 Ų4023.2 Ų23.221%0.20911%0.111CC..SBendtrans-114.553.5-179.1-60.7175.1000111.7L401 F405 N501 V530 S537L401-L534 HydrophobicContact CD1-CD1 4.4Å; L401-L534 HydrophobicContact CD1-CG 4.26Å; L401-L534 HydrophobicContact CD2-CD2 3.87Å; L401-L534 HydrophobicContact CD2-CG 4.24Å; F405-L534 HydrophobicContact CD2-CD1 3.29Å; F405-L534 HydrophobicContact CE2-CD1 3.71Å; F405-L534 HydrophobicContact CG-CD1 4.23Å; N501-L534 WeakPolarHBondContact ND2-CB 3.42Å; N501-L534 PolarHBondContact ND2-O 3.03Å; V530-L534 HydrophobicContact CG1-CD1 3.68Å; V530-L534 HydrophobicContact CG1-CG 4.38Å; V530-L534 PolarHBondContact O-N 3.47Å; L534-S537 PolarHBondContact O-OG 3.42Å
535Q93.2Very high94.7Very high53 Ų5323.2 Ų23.225%0.24811%0.111CC..  trans-72.4148.2178.8-65.6177.143.700111.8G531 R532 S577 R579 V580G531-Q535 WeakPolarHBondContact O-CG 3.4Å; R532-Q535 WeakPolarHBondContact O-CG 3.38Å; R532-Q535 PolarHBondContact O-NE2 3.23Å; Q535-S577 PolarHBondContact OE1-O 2.79Å; Q535-R579 HydrophobicContact CB-CB 4.39Å; Q535-V580 HydrophobicContact CG-CG2 4.49Å
536P95.4Very high94.7Very high10 Ų1023 Ų237%0.06511%0.109CC..SBendcis-75.7153.2-2.728.7-30.5000112.7L462 T498 A500 N501 R579L462-P536 HydrophobicContact CB-CB 4.35Å; L462-P536 HydrophobicContact CD2-CB 4.18Å; T498-P536 WeakPolarHBondContact O-CG 3.4Å; A500-P536 VanDerWaalsContact CA-O 3.22Å; A500-P536 WeakPolarHBondContact CA-O 3.39Å; A500-P536 HydrophobicContact CB-CB 4.03Å; A500-P536 HydrophobicContact CB-CG 4.05Å; N501-P536 PolarHBondContact N-O 2.9Å; P536-R579 HydrophobicContact CB-CB 4.4Å
537S96.6Very high94.6Very high0 Ų023.1 Ų23.10%011%0.11CC..EExtended strand (participates in β ladder)trans-140.3139.6-178.3-75.30000112.5G531 L534 R579 V580 L581G531-S537 WeakPolarHBondContact CA-OG 3.32Å; G531-S537 PolarHBondContact O-OG 2.54Å; L534-S537 PolarHBondContact O-OG 3.42Å; S537-R579 PolarHBondContact N-O 2.92Å; S537-R579 VanDerWaalsContact N-O 3.09Å; S537-V580 VanDerWaalsContact O-CA 3.32Å; S537-V580 WeakPolarHBondContact O-CA 3.37Å; S537-L581 PolarHBondContact O-N 3.27Å
538V97.8Very high94.3Very high0 Ų023.3 Ų23.30%011%0.111CC..EExtended strand (participates in β ladder)trans-117.8127.3178.3174.10000109.1L462 V491 I494 A500 N501 L502 F503 L581 I583L462-V538 HydrophobicContact CD1-CG2 3.71Å; V491-V538 HydrophobicContact CG1-CG1 4.25Å; I494-V538 HydrophobicContact CG2-CG2 4.2Å; A500-V538 HydrophobicContact CB-CG2 3.87Å; N501-V538 PolarHBondContact O-N 3.32Å; L502-V538 HydrophobicContact CD1-CG1 4.14Å; F503-V538 PolarHBondContact N-O 3.18Å; V538-L581 CarbonylContact C-O 3.48Å; V538-L581 WeakPolarHBondContact CA-O 3.48Å; V538-I583 HydrophobicContact CG1-CD1 3.6Å; V538-I583 HydrophobicContact CG1-CG1 3.94Å
539I97.8Very high94Very high1 Ų124.6 Ų24.61%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-104.9114.7174.6-57.7172.1000107.8F503 L505 V527 F528 V580 L581 L582 I583F503-I539 HydrophobicContact CB-CG1 4.26Å; F503-I539 HydrophobicContact CD2-CG1 4.44Å; F503-I539 CarbonylContact O-C 3.6Å; F503-I539 WeakPolarHBondContact O-CA 3.31Å; L505-I539 HydrophobicContact CB-CG2 4.31Å; L505-I539 HydrophobicContact CD1-CG2 3.63Å; L505-I539 HydrophobicContact CG-CG2 4.01Å; V527-I539 HydrophobicContact CG1-CD1 3.84Å; V527-I539 HydrophobicContact CG1-CG1 4.02Å; F528-I539 HydrophobicContact CD2-CD1 4.13Å; F528-I539 HydrophobicContact CE1-CD1 4.28Å; F528-I539 HydrophobicContact CE2-CD1 3.75Å; F528-I539 HydrophobicContact CZ-CD1 3.83Å; I539-V580 HydrophobicContact CD1-CG1 3.83Å; I539-V580 HydrophobicContact CG1-CG1 4.23Å; I539-L581 PolarHBondContact N-O 2.91Å; I539-L582 HydrophobicContact CB-CD1 4.05Å; I539-L582 HydrophobicContact CG2-CD1 3.78Å; I539-L582 CarbonylContact O-C 3.52Å; I539-L582 WeakPolarHBondContact O-CA 3.12Å; I539-I583 PolarHBondContact O-N 3.39Å
540L97.7Very high93.5Very high5 Ų531.3 Ų31.33%0.02615%0.146CC..EExtended strand (participates in β ladder)trans-95.1137179.4177.261.1000111.2V491 L502 F503 L505 I583V491-L540 HydrophobicContact CG1-CD1 4.16Å; V491-L540 HydrophobicContact CG1-CD2 4.29Å; V491-L540 HydrophobicContact CG2-CD1 3.86Å; L502-L540 HydrophobicContact CD1-CB 3.86Å; L502-L540 HydrophobicContact CD1-CD2 4.4Å; F503-L540 PolarHBondContact O-N 3.46Å; L505-L540 WeakPolarHBondContact CA-O 3.49Å; L505-L540 PolarHBondContact N-O 3.44Å; L540-I583 CarbonylContact C-O 3.55Å; L540-I583 WeakPolarHBondContact CA-O 3.28Å
541I96.3Very high92.7Very high1 Ų140.4 Ų40.41%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-130.8103.8165.2-56.3-178.9000108.3L505 C544 M547 L567 L582 I583 G584 C585L505-I541 HydrophobicContact CB-CG1 4.06Å; I541-C544 HydrophobicContact CB-CB 4.28Å; I541-C544 HydrophobicContact CG2-CB 3.77Å; I541-M547 HydrophobicContact CD1-SD 4.12Å; I541-M547 HydrophobicContact CG2-SD 3.78Å; I541-L567 HydrophobicContact CD1-CD1 4.48Å; I541-L567 HydrophobicContact CD1-CD2 3.27Å; I541-L567 HydrophobicContact CD1-CG 4.5Å; I541-L582 HydrophobicContact CD1-CD1 3.81Å; I541-L582 HydrophobicContact CG1-CD1 4.05Å; I541-I583 PolarHBondContact N-O 3.1Å; I541-G584 WeakPolarHBondContact O-CA 3.4Å; I541-C585 PolarHBondContact O-N 3.39Å
542N94.7Very high91.9Very high35 Ų3542.4 Ų42.419%0.18720%0.196CC..THydrogen-bonded Turntrans-75.8152.7170.2-66.3-41.8000111.1S506 C544 C585S506-N542 WeakPolarHBondContact OG-CB 3.41Å; S506-N542 PolarHBondContact OG-N 3.42Å; S506-N542 PolarHBondContact OG-ND2 2.78Å; N542-C544 PolarHBondContact O-N 3.14Å; N542-C585 WeakPolarHBondContact OD1-CB 3.19Å
543D93.4Very high91.1Very high44 Ų4441.1 Ų41.124%0.23520%0.2CC..THydrogen-bonded Turntrans46.542.8-175.5-57-18.5000112.8E545 K546 C585D543-E545 WeakPolarHBondContact CA-OE2 3.46Å; D543-E545 PolarHBondContact O-N 2.92Å; D543-K546 HydrophobicContact CB-CD 3.64Å; D543-K546 HydrophobicContact CB-CG 4.03Å; D543-K546 VanDerWaalsContact O-CB 3.28Å; D543-K546 WeakPolarHBondContact O-CB 3.33Å; D543-K546 WeakPolarHBondContact O-CG 3.47Å; D543-K546 PolarHBondContact O-N 3.46Å; D543-K546 WeakPolarHBondContact OD2-CE 3.44Å; D543-K546 IonicContact OD2-NZ 3.41Å; D543-K546 PolarHBondContact OD2-NZ 3.07Å; D543-C585 PolarHBondContact N-O 3.01Å
544C94.2Very high90Very high0 Ų046.7 Ų46.70%022%0.22CC..G310 helixtrans-60.2-19.9-173.2610000113.2L478 I541 N542 K546 M547 F548 C585 F597 Y601L478-C544 WeakPolarHBondContact CD1-SG 2.87Å; I541-C544 HydrophobicContact CB-CB 4.28Å; I541-C544 HydrophobicContact CG2-CB 3.77Å; N542-C544 PolarHBondContact O-N 3.14Å; C544-K546 PolarHBondContact O-N 3.4Å; C544-M547 WeakPolarHBondContact O-CB 3.46Å; C544-M547 PolarHBondContact O-N 3.08Å; C544-F548 WeakPolarHBondContact O-CD2 3.5Å; C544-C585 PolarHBondContact N-O 2.85Å; C544-C585 VanDerWaalsContact N-O 3.1Å; C544-C585 PolarHBondContact SG-O 3.17Å; C544-F597 HydrophobicContact CB-CE2 4.26Å; C544-F597 VanDerWaalsContact SG-CE2 3.59Å; C544-Y601 HydrophobicContact CB-CE2 4.26Å; C544-Y601 VanDerWaalsContact CB-OH 3.28Å; C544-Y601 WeakPolarHBondContact CB-OH 3.36Å
545E92.9Very high89Confident5 Ų550.4 Ų50.42%0.02324%0.244CC..G310 helixtrans-56.9-35.1170.263.9-87.7-146.600112.7D543 M547 F548 K549 S586 S587 A588 A592D543-E545 WeakPolarHBondContact CA-OE2 3.46Å; D543-E545 PolarHBondContact O-N 2.92Å; E545-M547 PolarHBondContact O-N 2.87Å; E545-F548 CarbonylContact O-C 3.48Å; E545-F548 PolarHBondContact O-N 3.32Å; E545-K549 PolarHBondContact O-N 3.34Å; E545-K549 VanDerWaalsContact O-N 3.1Å; E545-S586 WeakPolarHBondContact OE2-CA 3.42Å; E545-S586 WeakPolarHBondContact OE2-CB 3.29Å; E545-S586 PolarHBondContact OE2-OG 3.39Å; E545-S587 PolarHBondContact OE1-N 3.12Å; E545-S587 VanDerWaalsContact OE1-N 3.17Å; E545-S587 PolarHBondContact OE1-OG 3.16Å; E545-A588 HydrophobicContact CG-CB 4.31Å; E545-A588 PolarHBondContact OE1-N 3.16Å; E545-A592 HydrophobicContact CB-CB 4.02Å
546K91.1Very high87.9Confident41 Ų4150.4 Ų50.418%0.17825%0.246CC..G310 helixtrans-58.5-33.3-179.1-68.4176.3177.7161.90111E508 D543 C544 F548 P560E508-K546 IonicContact OE1-NZ 3.69Å; E508-K546 PolarHBondContact OE1-NZ 3.29Å; D543-K546 HydrophobicContact CB-CD 3.64Å; D543-K546 HydrophobicContact CB-CG 4.03Å; D543-K546 VanDerWaalsContact O-CB 3.28Å; D543-K546 WeakPolarHBondContact O-CB 3.33Å; D543-K546 WeakPolarHBondContact O-CG 3.47Å; D543-K546 PolarHBondContact O-N 3.46Å; D543-K546 WeakPolarHBondContact OD2-CE 3.44Å; D543-K546 IonicContact OD2-NZ 3.41Å; D543-K546 PolarHBondContact OD2-NZ 3.07Å; C544-K546 PolarHBondContact O-N 3.4Å; K546-F548 PolarHBondContact O-N 3.03Å; K546-P560 HydrophobicContact CB-CB 3.89Å; K546-P560 HydrophobicContact CB-CG 4.01Å
547M90.7Very high86.9Confident3 Ų357.9 Ų57.92%0.01528%0.284CS..G310 helixtrans-64.7-27176.3-58.8-177.744.500113.3I541 C544 E545 P560 L563 L567I541-M547 HydrophobicContact CD1-SD 4.12Å; I541-M547 HydrophobicContact CG2-SD 3.78Å; C544-M547 WeakPolarHBondContact O-CB 3.46Å; C544-M547 PolarHBondContact O-N 3.08Å; E545-M547 PolarHBondContact O-N 2.87Å; M547-P560 WeakPolarHBondContact CG-O 3.11Å; M547-L563 HydrophobicContact CE-CB 3.38Å; M547-L563 HydrophobicContact SD-CB 4.17Å; M547-L563 HydrophobicContact SD-CD1 4.36Å; M547-L567 HydrophobicContact CE-CD2 4.19Å
548F91.1Very high85.9Confident4 Ų459 Ų592%0.01829%0.291CS..G310 helixtrans-112.83.5-172.5-61.9-82.1000113.9C544 E545 K546 K564 A592 D593 P596 F597 L600C544-F548 WeakPolarHBondContact O-CD2 3.5Å; E545-F548 CarbonylContact O-C 3.48Å; E545-F548 PolarHBondContact O-N 3.32Å; K546-F548 PolarHBondContact O-N 3.03Å; F548-K564 HydrophobicContact CD1-CD 4.33Å; F548-K564 HydrophobicContact CD1-CG 4.27Å; F548-K564 HydrophobicContact CE1-CG 3.96Å; F548-A592 HydrophobicContact CB-CB 3.9Å; F548-D593 PolarHBondContact O-N 2.74Å; F548-P596 HydrophobicContact CD1-CB 3.77Å; F548-P596 HydrophobicContact CD1-CG 3.83Å; F548-P596 HydrophobicContact CE1-CB 3.83Å; F548-P596 HydrophobicContact CE1-CG 4.41Å; F548-F597 HydrophobicContact CB-CB 4.49Å; F548-F597 HydrophobicContact CB-CD2 4.46Å; F548-F597 HydrophobicContact CD2-CB 4.39Å; F548-F597 AromaticContact CD2-CD2 3.32Å; F548-F597 HydrophobicContact CD2-CD2 3.32Å; F548-F597 AromaticContact CD2-CE2 3.92Å; F548-F597 HydrophobicContact CD2-CE2 3.92Å; F548-F597 HydrophobicContact CD2-CG 4.25Å; F548-F597 AromaticContact CE2-CD2 3.67Å; F548-F597 HydrophobicContact CE2-CD2 3.67Å; F548-F597 HydrophobicContact CE2-CE2 4.26Å; F548-F597 HydrophobicContact CG-CB 4.25Å; F548-F597 AromaticContact CG-CD2 3.99Å; F548-F597 HydrophobicContact CG-CD2 3.99Å; F548-L600 HydrophobicContact CE2-CD2 3.97Å; F548-L600 HydrophobicContact CZ-CB 4.25Å; F548-L600 HydrophobicContact CZ-CD2 3.68Å
549K88.7Confident85.1Confident40 Ų4063 Ų6317%0.17431%0.313CS..BIsolated β-bridgetrans-58.6139.7172.4-73-170.8179.2-164.80111.8E545 K561 E591E545-K549 PolarHBondContact O-N 3.34Å; E545-K549 VanDerWaalsContact O-N 3.1Å; K549-K561 WeakPolarHBondContact O-CE 3.18Å; K549-K561 PolarHBondContact O-NZ 2.65Å; K549-E591 WeakPolarHBondContact CE-OE2 3.36Å; K549-E591 HydrophobicContact CG-CB 4.35Å; K549-E591 IonicContact NZ-OE1 3.16Å; K549-E591 IonicContact NZ-OE2 3.71Å; K549-E591 PolarHBondContact NZ-OE2 3.28Å
550K81.4Confident84.2Confident174 Ų17463.1 Ų63.176%0.75731%0.313SS*.SBendtrans-64.6-54176.6-70.5-179.2-178.8175.40111.1K561K550-K561 PolarHBondContact O-NZ 2.96Å
551K80.3Confident83.6Confident191 Ų19166 Ų6683%0.8333%0.326SS*.SBendtrans-114.5134.2174.9-67.4-178.5179.2179.80108.8
552L76.3Confident83.1Confident43 Ų4368.2 Ų68.223%0.22533%0.334CS..  trans-98.9142.8168.9-80.9157.5000107.8K554 P560 K561L552-K554 PolarHBondContact O-N 3.47Å; L552-P560 HydrophobicContact CD1-CG 3.84Å; L552-P560 HydrophobicContact CD2-CG 3.53Å; L552-P560 HydrophobicContact CG-CG 4.35Å; L552-K561 HydrophobicContact CD1-CB 4.35Å; L552-K561 HydrophobicContact CD1-CD 3.5Å; L552-K561 VanDerWaalsContact CD1-CD 3.5Å; L552-K561 VanDerWaalsContact CD1-CE 3.44Å; L552-K561 HydrophobicContact CD1-CG 3.7Å; L552-K561 HydrophobicContact CG-CD 4.41Å
553P77.5Confident82.7Confident70 Ų7066.8 Ų66.846%0.45533%0.326SS..  trans-55.2136.5166.5-20.432.5000109.7T555 D556P553-T555 WeakPolarHBondContact CB-OG1 3.42Å; P553-T555 PolarHBondContact O-N 3.42Å; P553-T555 VanDerWaalsContact O-N 3.12Å; P553-D556 PolarHBondContact O-N 3.29Å; P553-D556 VanDerWaalsContact O-N 3.16Å
554K71Confident82.4Confident220 Ų22068.1 Ų68.196%0.95733%0.33SS*.THydrogen-bonded Turntrans-62.7-16.9176.2-70.3-176.1179.7179.90112.8L552 D556L552-K554 PolarHBondContact O-N 3.47Å; K554-D556 VanDerWaalsContact C-N 3.29Å
555T71.7Confident82.1Confident118 Ų11875.8 Ų75.872%0.72436%0.363SS*.THydrogen-bonded Turntrans-76.8-11.9178.548.40000113.6P553 L557P553-T555 WeakPolarHBondContact CB-OG1 3.42Å; P553-T555 PolarHBondContact O-N 3.42Å; P553-T555 VanDerWaalsContact O-N 3.12Å; T555-L557 PolarHBondContact O-N 2.93Å
556D70.1Confident81.9Confident54 Ų5477.7 Ų77.729%0.28937%0.372SS..  trans-88.395.3-173.9-150.4-13.5000110.4P553 K554 T558P553-D556 PolarHBondContact O-N 3.29Å; P553-D556 VanDerWaalsContact O-N 3.16Å; K554-D556 VanDerWaalsContact C-N 3.29Å; D556-T558 PolarHBondContact O-N 3.05Å; D556-T558 PolarHBondContact OD1-OG1 3.36Å
557L72.6Confident81.9Confident166 Ų16675.8 Ų75.887%0.86936%0.364SS*.THydrogen-bonded Turntrans-68.9-11.2-178.9-80.199.1000113.6T555 D559T555-L557 PolarHBondContact O-N 2.93Å; L557-D559 VanDerWaalsContact C-N 3.29Å; L557-D559 PolarHBondContact O-N 3.35Å
558T75.8Confident81.9Confident24 Ų2477.7 Ų77.715%0.14738%0.377CS..THydrogen-bonded Turntrans-75-9.1-169.559.10000115.3E508 A511 D556E508-T558 HydrophobicContact CG-CG2 4.26Å; A511-T558 HydrophobicContact CB-CG2 4.29Å; D556-T558 PolarHBondContact O-N 3.05Å; D556-T558 PolarHBondContact OD1-OG1 3.36Å
559D81.3Confident81.9Confident85 Ų8583 Ų8346%0.45540%0.4SS..  trans34.664-172.6-170.816.1000114.4L557 K561 R562L557-D559 VanDerWaalsContact C-N 3.29Å; L557-D559 PolarHBondContact O-N 3.35Å; D559-K561 PolarHBondContact O-N 3.12Å; D559-K561 VanDerWaalsContact O-N 3.1Å; D559-R562 WeakPolarHBondContact O-CG 3.38Å; D559-R562 PolarHBondContact O-N 3.22Å
560P79.1Confident82.1Confident2 Ų281.4 Ų81.41%0.01339%0.394CS..G310 helixtrans-64.9-19.4-176.325.4-34000112.7A507 K546 M547 L552 R562A507-P560 HydrophobicContact CB-CB 3.65Å; K546-P560 HydrophobicContact CB-CB 3.89Å; K546-P560 HydrophobicContact CB-CG 4.01Å; M547-P560 WeakPolarHBondContact CG-O 3.11Å; L552-P560 HydrophobicContact CD1-CG 3.84Å; L552-P560 HydrophobicContact CD2-CG 3.53Å; L552-P560 HydrophobicContact CG-CG 4.35Å; P560-R562 VanDerWaalsContact C-N 3.28Å; P560-R562 PolarHBondContact O-N 3.37Å
561K84.6Confident82.6Confident65 Ų6573.8 Ų73.828%0.28336%0.361SS..G310 helixtrans-73-16.8-178-84.1174.7-171.61770113.6K549 K550 L552 D559 L563 K564K549-K561 WeakPolarHBondContact O-CE 3.18Å; K549-K561 PolarHBondContact O-NZ 2.65Å; K550-K561 PolarHBondContact O-NZ 2.96Å; L552-K561 HydrophobicContact CD1-CB 4.35Å; L552-K561 HydrophobicContact CD1-CD 3.5Å; L552-K561 VanDerWaalsContact CD1-CD 3.5Å; L552-K561 VanDerWaalsContact CD1-CE 3.44Å; L552-K561 HydrophobicContact CD1-CG 3.7Å; L552-K561 HydrophobicContact CG-CD 4.41Å; D559-K561 PolarHBondContact O-N 3.12Å; D559-K561 VanDerWaalsContact O-N 3.1Å; K561-L563 VanDerWaalsContact C-N 3.27Å; K561-L563 PolarHBondContact O-N 3.11Å; K561-K564 WeakPolarHBondContact O-CB 3.39Å; K561-K564 PolarHBondContact O-N 3.33Å; K561-K564 VanDerWaalsContact O-N 3.08Å
562R86.1Confident83.1Confident49 Ų4972.7 Ų72.719%0.18536%0.357CS..G310 helixtrans-59.7-35.7-175.472.9-179.9164.3164.6-17.3113.5I510 K513 L520 D559 P560 K564I510-R562 PolarHBondContact O-NH2 3.3Å; K513-R562 PolarHBondContact O-NH1 2.84Å; K513-R562 VanDerWaalsContact O-NH1 3.14Å; L520-R562 HydrophobicContact CD1-CG 4.12Å; L520-R562 VanDerWaalsContact CD2-C 3.46Å; L520-R562 HydrophobicContact CD2-CB 3.73Å; L520-R562 HydrophobicContact CD2-CG 3.63Å; L520-R562 WeakPolarHBondContact CD2-O 3.28Å; L520-R562 HydrophobicContact CG-CG 4.49Å; D559-R562 WeakPolarHBondContact O-CG 3.38Å; D559-R562 PolarHBondContact O-N 3.22Å; P560-R562 VanDerWaalsContact C-N 3.28Å; P560-R562 PolarHBondContact O-N 3.37Å; R562-K564 VanDerWaalsContact C-N 3.3Å; R562-K564 PolarHBondContact O-N 3.29Å
563L87.4Confident83.7Confident4 Ų473.7 Ų73.72%0.02136%0.362CS..Hα-helixtrans-73.2-17.9179.7-78.6172.8000113.8L505 I510 L520 V524 M547 K561 K565 E566 L567L505-L563 WeakPolarHBondContact O-CD1 3.37Å; I510-L563 HydrophobicContact CD1-CD1 3.67Å; I510-L563 HydrophobicContact CD1-CG 4.41Å; L520-L563 HydrophobicContact CD1-CD2 3.72Å; L520-L563 HydrophobicContact CD1-CG 4.24Å; L520-L563 HydrophobicContact CD2-CD2 4.4Å; L520-L563 HydrophobicContact CG-CD2 4.31Å; V524-L563 HydrophobicContact CG2-CD2 3.84Å; M547-L563 HydrophobicContact CE-CB 3.38Å; M547-L563 HydrophobicContact SD-CB 4.17Å; M547-L563 HydrophobicContact SD-CD1 4.36Å; K561-L563 VanDerWaalsContact C-N 3.27Å; K561-L563 PolarHBondContact O-N 3.11Å; L563-K565 PolarHBondContact O-N 2.89Å; L563-E566 PolarHBondContact O-N 3.31Å; L563-L567 WeakPolarHBondContact O-CB 3.41Å; L563-L567 PolarHBondContact O-N 3.39Å
564K87.1Confident84.4Confident73 Ų7370.6 Ų70.632%0.31734%0.341SS..Hα-helixtrans-56.5-30.4-172-174.2177-177.7170.80113.8F548 K561 R562 P568F548-K564 HydrophobicContact CD1-CD 4.33Å; F548-K564 HydrophobicContact CD1-CG 4.27Å; F548-K564 HydrophobicContact CE1-CG 3.96Å; K561-K564 WeakPolarHBondContact O-CB 3.39Å; K561-K564 PolarHBondContact O-N 3.33Å; K561-K564 VanDerWaalsContact O-N 3.08Å; R562-K564 VanDerWaalsContact C-N 3.3Å; R562-K564 PolarHBondContact O-N 3.29Å; K564-P568 VanDerWaalsContact O-CD 3.31Å; K564-P568 WeakPolarHBondContact O-CD 3.48Å; K564-P568 WeakPolarHBondContact O-CG 3.33Å
565K86.8Confident85.5Confident161 Ų16162.9 Ų62.970%0.731%0.312SS*.Hα-helixtrans-94.9-36.9-178.5-69.6-174.5-179.8-179.70113.7L563 K569L563-K565 PolarHBondContact O-N 2.89Å; K565-K569 WeakPolarHBondContact O-CE 3.36Å; K565-K569 WeakPolarHBondContact O-CG 3.32Å
566E88.7Confident86.3Confident45 Ų4560.3 Ų60.321%0.2130%0.298CS..Hα-helixtrans-84.9-38-173-64-50.4121.100112.2V524 L563 K569 A570V524-E566 HydrophobicContact CG2-CB 4.38Å; L563-E566 PolarHBondContact O-N 3.31Å; E566-K569 WeakPolarHBondContact O-CB 3.43Å; E566-K569 PolarHBondContact O-N 2.81Å; E566-K569 VanDerWaalsContact O-N 3.12Å; E566-K569 IonicContact OE1-NZ 2.88Å; E566-K569 PolarHBondContact OE1-NZ 2.75Å; E566-K569 IonicContact OE2-NZ 2.91Å; E566-A570 PolarHBondContact O-N 2.9Å
567L91.9Very high87.3Confident0 Ų060.2 Ų60.20%030%0.302CS..Hα-helixtrans-61.7-47.7-178.2-173.571.4000112.9F528 I541 M547 L563 K569 A570 M571 L582 L600F528-L567 HydrophobicContact CE2-CD1 4.07Å; F528-L567 HydrophobicContact CZ-CD1 4.15Å; I541-L567 HydrophobicContact CD1-CD1 4.48Å; I541-L567 HydrophobicContact CD1-CD2 3.27Å; I541-L567 HydrophobicContact CD1-CG 4.5Å; M547-L567 HydrophobicContact CE-CD2 4.19Å; L563-L567 WeakPolarHBondContact O-CB 3.41Å; L563-L567 PolarHBondContact O-N 3.39Å; L567-K569 PolarHBondContact O-N 3.35Å; L567-A570 PolarHBondContact O-N 3.34Å; L567-A570 VanDerWaalsContact O-N 3.16Å; L567-M571 WeakPolarHBondContact O-CG 3.25Å; L567-M571 PolarHBondContact O-N 3.46Å; L567-L582 HydrophobicContact CD1-CD1 4.43Å; L567-L582 HydrophobicContact CD1-CD2 4.49Å; L567-L582 HydrophobicContact CD2-CD1 4.4Å; L567-L582 HydrophobicContact CD2-CD2 3.96Å; L567-L582 HydrophobicContact CG-CD2 4.27Å; L567-L600 HydrophobicContact CD2-CD1 4.28Å; L567-L600 HydrophobicContact CD2-CD2 3.73Å; L567-L600 HydrophobicContact CG-CD1 4.32Å
568P91.2Very high88.3Confident44 Ų4452.7 Ų52.729%0.28626%0.262SS..Hα-helixtrans-63.8-24.1176.5-20.332.3000114K564 K572 L600K564-P568 VanDerWaalsContact O-CD 3.31Å; K564-P568 WeakPolarHBondContact O-CD 3.48Å; K564-P568 WeakPolarHBondContact O-CG 3.33Å; P568-K572 WeakPolarHBondContact O-CG 3.45Å; P568-L600 HydrophobicContact CB-CD1 4.49Å; P568-L600 HydrophobicContact CG-CD1 4.23Å
569K90.7Very high89.2Confident115 Ų11553.3 Ų53.350%0.526%0.262SS..Hα-helixtrans-73.2-47.1174.1-65.5172.9-171.2167.70110K565 E566 L567 M571 K572K565-K569 WeakPolarHBondContact O-CE 3.36Å; K565-K569 WeakPolarHBondContact O-CG 3.32Å; E566-K569 WeakPolarHBondContact O-CB 3.43Å; E566-K569 PolarHBondContact O-N 2.81Å; E566-K569 VanDerWaalsContact O-N 3.12Å; E566-K569 IonicContact OE1-NZ 2.88Å; E566-K569 PolarHBondContact OE1-NZ 2.75Å; E566-K569 IonicContact OE2-NZ 2.91Å; L567-K569 PolarHBondContact O-N 3.35Å; K569-M571 VanDerWaalsContact C-N 3.32Å; K569-M571 PolarHBondContact O-N 3.44Å; K569-K572 WeakPolarHBondContact O-CB 3.14Å; K569-K572 PolarHBondContact O-N 2.86Å; K569-K572 VanDerWaalsContact O-N 3.1Å
570A91.7Very high89.9Confident7 Ų749.4 Ų49.46%0.05824%0.241CC..Hα-helixtrans-60.7-40.2178.500000112.4V524 F528 E566 L567 K572 I573V524-A570 HydrophobicContact CG1-CB 3.45Å; V524-A570 VanDerWaalsContact CG1-CB 3.45Å; F528-A570 HydrophobicContact CD1-CB 4.11Å; F528-A570 HydrophobicContact CD2-CB 3.84Å; F528-A570 HydrophobicContact CE1-CB 3.91Å; F528-A570 HydrophobicContact CE2-CB 3.62Å; F528-A570 HydrophobicContact CG-CB 4.07Å; F528-A570 HydrophobicContact CZ-CB 3.65Å; E566-A570 PolarHBondContact O-N 2.9Å; L567-A570 PolarHBondContact O-N 3.34Å; L567-A570 VanDerWaalsContact O-N 3.16Å; A570-K572 PolarHBondContact O-N 2.92Å; A570-K572 VanDerWaalsContact O-N 3.15Å; A570-I573 VanDerWaalsContact O-CB 3.31Å; A570-I573 WeakPolarHBondContact O-CB 3.44Å; A570-I573 PolarHBondContact O-N 3.37Å
571M92.7Very high90.8Very high13 Ų1349.5 Ų49.56%0.06424%0.241CC..Hα-helixtrans-60.2-24.9175.8-69.2-52.2-59.400114.3K475 F528 L567 K569 I573 L574 L582 L600K475-M571 HydrophobicContact CB-CE 3.45Å; K475-M571 VanDerWaalsContact CB-CE 3.45Å; K475-M571 HydrophobicContact CD-CE 4.48Å; K475-M571 WeakPolarHBondContact CD-O 3.35Å; K475-M571 PolarHBondContact NZ-O 3.42Å; K475-M571 WeakPolarHBondContact O-CE 3.27Å; F528-M571 HydrophobicContact CE1-SD 3.68Å; F528-M571 HydrophobicContact CZ-CG 4.36Å; F528-M571 HydrophobicContact CZ-SD 3.53Å; F528-M571 VanDerWaalsContact CZ-SD 3.53Å; L567-M571 WeakPolarHBondContact O-CG 3.25Å; L567-M571 PolarHBondContact O-N 3.46Å; K569-M571 VanDerWaalsContact C-N 3.32Å; K569-M571 PolarHBondContact O-N 3.44Å; M571-I573 VanDerWaalsContact C-N 3.29Å; M571-L574 HydrophobicContact CE-CD1 3.72Å; M571-L574 HydrophobicContact SD-CD1 4.12Å; M571-L582 HydrophobicContact CE-CB 3.96Å; M571-L582 HydrophobicContact CE-CD2 4.45Å; M571-L582 HydrophobicContact CG-CD2 4.17Å; M571-L582 HydrophobicContact SD-CB 3.9Å; M571-L582 HydrophobicContact SD-CD2 3.88Å; M571-L582 HydrophobicContact SD-CG 4.47Å; M571-L600 HydrophobicContact CG-CD1 4.11Å
572K90.9Very high91.4Very high168 Ų16846.4 Ų46.473%0.7323%0.228SC*.Hα-helixtrans-74.4-22.1176.9-70.9178.2-178.6-175.10112.9P568 K569 A570P568-K572 WeakPolarHBondContact O-CG 3.45Å; K569-K572 WeakPolarHBondContact O-CB 3.14Å; K569-K572 PolarHBondContact O-N 2.86Å; K569-K572 VanDerWaalsContact O-N 3.1Å; A570-K572 PolarHBondContact O-N 2.92Å; A570-K572 VanDerWaalsContact O-N 3.15Å
573I89.8Confident92Very high65 Ų6544 Ų4433%0.33322%0.219SC..Hα-helixtrans-72.4-33-178-55.8171.4000110.8E392 A570 M571 T575E392-I573 WeakPolarHBondContact OE2-CD1 3.41Å; E392-I573 WeakPolarHBondContact OE2-CG1 3.43Å; A570-I573 VanDerWaalsContact O-CB 3.31Å; A570-I573 WeakPolarHBondContact O-CB 3.44Å; A570-I573 PolarHBondContact O-N 3.37Å; M571-I573 VanDerWaalsContact C-N 3.29Å; I573-T575 PolarHBondContact O-N 2.91Å
574L92.3Very high92.4Very high5 Ų543.9 Ų43.93%0.02622%0.218CC..  trans-60.1127.9-178.2-63.7177.1000112.1F473 K475 F528 R532 M571 D578 V580F473-L574 HydrophobicContact CZ-CB 4.39Å; K475-L574 WeakPolarHBondContact CE-O 3.38Å; K475-L574 PolarHBondContact NZ-O 3.24Å; F528-L574 HydrophobicContact CD1-CD1 4.37Å; F528-L574 HydrophobicContact CD1-CD2 3.96Å; F528-L574 HydrophobicContact CD1-CG 4.12Å; F528-L574 HydrophobicContact CE1-CD1 3.87Å; F528-L574 HydrophobicContact CE1-CD2 4.3Å; F528-L574 HydrophobicContact CE1-CG 4.02Å; R532-L574 HydrophobicContact CG-CD2 4.04Å; M571-L574 HydrophobicContact CE-CD1 3.72Å; M571-L574 HydrophobicContact SD-CD1 4.12Å; L574-D578 HydrophobicContact CD2-CB 4.04Å; L574-V580 HydrophobicContact CD1-CB 4.21Å; L574-V580 HydrophobicContact CD1-CG1 4.42Å; L574-V580 HydrophobicContact CD2-CB 4Å; L574-V580 HydrophobicContact CD2-CG1 4.49Å; L574-V580 HydrophobicContact CD2-CG2 4.24Å
575T92.2Very high92.9Very high57 Ų5740.6 Ų40.635%0.3520%0.204SC..  trans-98162.7174.652.90000111.5F473 I573 S577 D578F473-T575 WeakPolarHBondContact CZ-O 3.42Å; I573-T575 PolarHBondContact O-N 2.91Å; T575-S577 PolarHBondContact O-N 3.02Å; T575-S577 PolarHBondContact OG1-OG 3.12Å; T575-D578 PolarHBondContact N-OD2 3.46Å; T575-D578 WeakPolarHBondContact O-CB 3.49Å; T575-D578 PolarHBondContact O-N 2.94Å; T575-D578 PolarHBondContact OG1-OD2 3.02Å; T575-D578 VanDerWaalsContact OG1-OD2 3.13Å
576P88.9Confident93.4Very high64 Ų6433 Ų3342%0.41617%0.171SC..THydrogen-bonded Turntrans-58.5-15.4175.7-25.935.5000114.7H468 E469 F473H468-P576 PolarHBondContact CE1-O 3.45Å; H468-P576 VanDerWaalsContact CE1-O 3.29Å; H468-P576 PolarHBondContact ND1-O 2.83Å; E469-P576 WeakPolarHBondContact CG-O 3.4Å; F473-P576 HydrophobicContact CD1-CB 4.49Å; F473-P576 HydrophobicContact CD1-CG 3.92Å; F473-P576 HydrophobicContact CE1-CG 4.03Å; F473-P576 HydrophobicContact CG-CG 4.38Å
577S91Very high93.7Very high53 Ų5332.3 Ų32.337%0.37117%0.171SC..THydrogen-bonded Turntrans-82-15.5172.962.60000113.9Q465 Q535 T575Q465-S577 PolarHBondContact NE2-O 3.16Å; Q535-S577 PolarHBondContact OE1-O 2.79Å; T575-S577 PolarHBondContact O-N 3.02Å; T575-S577 PolarHBondContact OG1-OG 3.12Å
578D94Very high93.8Very high8 Ų833 Ų334%0.04318%0.177CC..  trans-92.9104.8-176.6-62.8-44.5000110.3H468 R532 L574 T575 V580H468-D578 PolarHBondContact CE1-O 3.07Å; R532-D578 HydrophobicContact CG-CB 4.28Å; R532-D578 IonicContact CZ-OD1 2.69Å; R532-D578 IonicContact CZ-OD2 3.53Å; R532-D578 VanDerWaalsContact NE-CG 3.25Å; R532-D578 IonicContact NE-OD1 3.88Å; R532-D578 PolarHBondContact NE-OD1 3.16Å; R532-D578 IonicContact NE-OD2 2.66Å; R532-D578 PolarHBondContact NE-OD2 3.49Å; R532-D578 IonicContact NH2-OD1 2.73Å; R532-D578 PolarHBondContact NH2-OD1 2.89Å; R532-D578 IonicContact NH2-OD2 2.77Å; L574-D578 HydrophobicContact CD2-CB 4.04Å; T575-D578 PolarHBondContact N-OD2 3.46Å; T575-D578 WeakPolarHBondContact O-CB 3.49Å; T575-D578 PolarHBondContact O-N 2.94Å; T575-D578 PolarHBondContact OG1-OD2 3.02Å; T575-D578 VanDerWaalsContact OG1-OD2 3.13Å; D578-V580 PolarHBondContact O-N 3.09Å
579R95Very high93.9Very high37 Ų3730.9 Ų30.914%0.1416%0.164CC..  trans-75.767.3174.3-63.4-170.4-66.8168.5-6.2112.2L462 G463 Q465 H468 Q535 P536 S537L462-R579 HydrophobicContact CD2-CB 4.4Å; L462-R579 WeakPolarHBondContact O-CD 3.49Å; L462-R579 PolarHBondContact O-NH1 2.9Å; G463-R579 PolarHBondContact O-NH1 2.82Å; Q465-R579 VanDerWaalsContact OE1-CG 3.28Å; Q465-R579 VanDerWaalsContact OE1-NE 3.11Å; H468-R579 HydrophobicContact CB-CG 4.16Å; Q535-R579 HydrophobicContact CB-CB 4.39Å; P536-R579 HydrophobicContact CB-CB 4.4Å; S537-R579 PolarHBondContact N-O 2.92Å; S537-R579 VanDerWaalsContact N-O 3.09Å
580V96.6Very high94.1Very high2 Ų229.6 Ų29.61%0.01216%0.158CC..EExtended strand (participates in β ladder)trans-124.4118.8176.9-175.50000109.8R532 Q535 S537 I539 L574 D578R532-V580 HydrophobicContact CG-CG2 4.05Å; Q535-V580 HydrophobicContact CG-CG2 4.49Å; S537-V580 VanDerWaalsContact O-CA 3.32Å; S537-V580 WeakPolarHBondContact O-CA 3.37Å; I539-V580 HydrophobicContact CD1-CG1 3.83Å; I539-V580 HydrophobicContact CG1-CG1 4.23Å; L574-V580 HydrophobicContact CD1-CB 4.21Å; L574-V580 HydrophobicContact CD1-CG1 4.42Å; L574-V580 HydrophobicContact CD2-CB 4Å; L574-V580 HydrophobicContact CD2-CG1 4.49Å; L574-V580 HydrophobicContact CD2-CG2 4.24Å; D578-V580 PolarHBondContact O-N 3.09Å
581L97Very high94.1Very high4 Ų433.5 Ų33.52%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-112.4126.6-178.1-178.664.2000111.4A458 L462 I474 L477 S537 V538 I539 I583A458-L581 HydrophobicContact CB-CD2 3.55Å; L462-L581 HydrophobicContact CD1-CB 4.01Å; L462-L581 HydrophobicContact CD1-CD2 3.83Å; L462-L581 HydrophobicContact CD2-CB 3.96Å; L462-L581 HydrophobicContact CG-CB 4.26Å; L462-L581 HydrophobicContact CG-CD2 4.48Å; I474-L581 HydrophobicContact CG2-CD1 4.34Å; L477-L581 HydrophobicContact CB-CD1 4.36Å; S537-L581 PolarHBondContact O-N 3.27Å; V538-L581 CarbonylContact C-O 3.48Å; V538-L581 WeakPolarHBondContact CA-O 3.48Å; I539-L581 PolarHBondContact N-O 2.91Å; L581-I583 HydrophobicContact CD2-CD1 3.96Å; L581-I583 HydrophobicContact CD2-CG1 3.87Å; L581-I583 HydrophobicContact CG-CD1 4.48Å; L581-I583 HydrophobicContact CG-CG1 3.9Å
582L97.6Very high94.1Very high0 Ų033.2 Ų33.20%018%0.175CC..EExtended strand (participates in β ladder)trans-87.1117.9169.117567.5000110.1K475 S476 L477 I539 I541 L567 M571 L600 Y601K475-L582 PolarHBondContact O-N 2.86Å; S476-L582 CarbonylContact C-O 3.59Å; S476-L582 WeakPolarHBondContact CA-O 3.39Å; L477-L582 PolarHBondContact N-O 3.33Å; I539-L582 HydrophobicContact CB-CD1 4.05Å; I539-L582 HydrophobicContact CG2-CD1 3.78Å; I539-L582 CarbonylContact O-C 3.52Å; I539-L582 WeakPolarHBondContact O-CA 3.12Å; I541-L582 HydrophobicContact CD1-CD1 3.81Å; I541-L582 HydrophobicContact CG1-CD1 4.05Å; L567-L582 HydrophobicContact CD1-CD1 4.43Å; L567-L582 HydrophobicContact CD1-CD2 4.49Å; L567-L582 HydrophobicContact CD2-CD1 4.4Å; L567-L582 HydrophobicContact CD2-CD2 3.96Å; L567-L582 HydrophobicContact CG-CD2 4.27Å; M571-L582 HydrophobicContact CE-CB 3.96Å; M571-L582 HydrophobicContact CE-CD2 4.45Å; M571-L582 HydrophobicContact CG-CD2 4.17Å; M571-L582 HydrophobicContact SD-CB 3.9Å; M571-L582 HydrophobicContact SD-CD2 3.88Å; M571-L582 HydrophobicContact SD-CG 4.47Å; L582-L600 HydrophobicContact CD2-CD1 3.91Å; L582-L600 HydrophobicContact CD2-CD2 4.34Å; L582-L600 HydrophobicContact CD2-CG 4.13Å; L582-Y601 HydrophobicContact CD2-CE1 4.13Å; L582-Y601 HydrophobicContact CG-CE1 4.13Å
583I98.1Very high94.2Very high0 Ų028 Ų280%016%0.155CC..EExtended strand (participates in β ladder)trans-109.7120.6174.2-51.9-179.4000110L477 L479 V491 I494 V538 I539 L540 I541 L581L477-I583 CarbonylContact O-C 3.54Å; L477-I583 VanDerWaalsContact O-CA 3.3Å; L477-I583 WeakPolarHBondContact O-CA 3.23Å; L479-I583 HydrophobicContact CD1-CG2 3.96Å; L479-I583 HydrophobicContact CG-CG2 4Å; V491-I583 HydrophobicContact CG2-CB 4.45Å; V491-I583 HydrophobicContact CG2-CD1 4.38Å; V491-I583 HydrophobicContact CG2-CG2 3.84Å; I494-I583 HydrophobicContact CD1-CD1 3.58Å; I494-I583 HydrophobicContact CG2-CD1 4.49Å; V538-I583 HydrophobicContact CG1-CD1 3.6Å; V538-I583 HydrophobicContact CG1-CG1 3.94Å; I539-I583 PolarHBondContact O-N 3.39Å; L540-I583 CarbonylContact C-O 3.55Å; L540-I583 WeakPolarHBondContact CA-O 3.28Å; I541-I583 PolarHBondContact N-O 3.1Å; L581-I583 HydrophobicContact CD2-CD1 3.96Å; L581-I583 HydrophobicContact CD2-CG1 3.87Å; L581-I583 HydrophobicContact CG-CD1 4.48Å; L581-I583 HydrophobicContact CG-CG1 3.9Å
584G97.2Very high94.3Very high0 Ų026.9 Ų26.90%015%0.149CC..EExtended strand (participates in β ladder)trans-97.5135169.100000110.5L477 L478 L479 I541L477-G584 PolarHBondContact O-N 3.38Å; L478-G584 WeakPolarHBondContact CA-O 2.96Å; L479-G584 PolarHBondContact N-O 3.25Å; I541-G584 WeakPolarHBondContact O-CA 3.4Å
585C97.6Very high94.2Very high5 Ų536.9 Ų36.93%0.03419%0.187CC..EExtended strand (participates in β ladder)trans-108133.7168.4-68.10000108.8L479 I541 N542 D543 C544L479-C585 WeakPolarHBondContact O-CA 3.38Å; I541-C585 PolarHBondContact O-N 3.39Å; N542-C585 WeakPolarHBondContact OD1-CB 3.19Å; D543-C585 PolarHBondContact N-O 3.01Å; C544-C585 PolarHBondContact N-O 2.85Å; C544-C585 VanDerWaalsContact N-O 3.1Å; C544-C585 PolarHBondContact SG-O 3.17Å
586S96.4Very high94.2Very high0 Ų035.9 Ų35.90%018%0.181CC..EExtended strand (participates in β ladder)trans-136.3132.9178.9-169.60000111.8L479 A480 G481 K487 E545 P589L479-S586 PolarHBondContact O-N 2.85Å; A480-S586 WeakPolarHBondContact CA-O 3.34Å; G481-S586 PolarHBondContact N-O 3.1Å; G481-S586 VanDerWaalsContact N-O 3.11Å; K487-S586 WeakPolarHBondContact CE-O 3.45Å; K487-S586 PolarHBondContact NZ-O 2.85Å; E545-S586 WeakPolarHBondContact OE2-CA 3.42Å; E545-S586 WeakPolarHBondContact OE2-CB 3.29Å; E545-S586 PolarHBondContact OE2-OG 3.39Å; S586-P589 WeakPolarHBondContact OG-CA 3.39Å
587S94.5Very high94.4Very high31 Ų3132.8 Ų32.822%0.21716%0.161CC..SBendtrans-100.9-27.6167.541.10000112.9G481 E545 P589 Y695G481-S587 WeakPolarHBondContact O-CA 3.45Å; E545-S587 PolarHBondContact OE1-N 3.12Å; E545-S587 VanDerWaalsContact OE1-N 3.17Å; E545-S587 PolarHBondContact OE1-OG 3.16Å; S587-P589 VanDerWaalsContact O-CD 3.31Å; S587-P589 WeakPolarHBondContact O-CD 3.48Å; S587-Y695 WeakPolarHBondContact O-CE1 3.48Å; S587-Y695 PolarHBondContact O-OH 3.04Å
588A94Very high94.4Very high15 Ų1531 Ų3112%0.12415%0.149CC..  trans-12362.5179.200000111.6E545 F590 E591E545-A588 HydrophobicContact CG-CB 4.31Å; E545-A588 PolarHBondContact OE1-N 3.16Å; A588-F590 HydrophobicContact CB-CE2 4Å; A588-F590 HydrophobicContact CB-CZ 3.99Å; A588-F590 PolarHBondContact O-N 3.28Å; A588-F590 VanDerWaalsContact O-N 3.13Å; A588-E591 HydrophobicContact CB-CG 3.93Å; A588-E591 WeakPolarHBondContact CB-OE2 3.29Å; A588-E591 PolarHBondContact O-N 2.94Å
589P94.7Very high94.3Very high0 Ų039.1 Ų39.10%018%0.183CC..G310 helixtrans-66.4-20.9-172.231.4-39.3000113.1A480 S586 S587 E591 A592 F597 Y695 W698A480-P589 HydrophobicContact CB-CB 4.28Å; A480-P589 HydrophobicContact CB-CG 4.21Å; S586-P589 WeakPolarHBondContact OG-CA 3.39Å; S587-P589 VanDerWaalsContact O-CD 3.31Å; S587-P589 WeakPolarHBondContact O-CD 3.48Å; P589-E591 VanDerWaalsContact C-N 3.28Å; P589-E591 PolarHBondContact O-N 2.81Å; P589-A592 PolarHBondContact O-N 3.24Å; P589-F597 HydrophobicContact CB-CE1 4.17Å; P589-Y695 HydrophobicContact CG-CD1 3.84Å; P589-Y695 HydrophobicContact CG-CE1 3.89Å; P589-W698 HydrophobicContact CB-CD2 3.84Å; P589-W698 HydrophobicContact CB-CE3 4.11Å; P589-W698 HydrophobicContact CB-CG 4.47Å; P589-W698 HydrophobicContact CB-CH2 3.83Å; P589-W698 HydrophobicContact CB-CZ2 3.56Å; P589-W698 HydrophobicContact CB-CZ3 4.1Å; P589-W698 HydrophobicContact CG-CD2 3.91Å; P589-W698 HydrophobicContact CG-CE3 3.88Å; P589-W698 HydrophobicContact CG-CG 4.44Å; P589-W698 HydrophobicContact CG-CH2 4.32Å; P589-W698 HydrophobicContact CG-CZ2 4.38Å; P589-W698 HydrophobicContact CG-CZ3 4.09Å; P589-W698 PolarHBondContact O-NE1 3.31Å; P589-W698 VanDerWaalsContact O-NE1 3.09Å
590F93.5Very high94.3Very high87 Ų8737.9 Ų37.938%0.38218%0.18SC..G310 helixtrans-70.2-17.9175.243.4-99.5000114A588 A592 A694 Y695 W698A588-F590 HydrophobicContact CB-CE2 4Å; A588-F590 HydrophobicContact CB-CZ 3.99Å; A588-F590 PolarHBondContact O-N 3.28Å; A588-F590 VanDerWaalsContact O-N 3.13Å; F590-A592 VanDerWaalsContact C-N 3.35Å; F590-A694 HydrophobicContact CD1-CB 4.18Å; F590-A694 HydrophobicContact CE1-CB 4.33Å; F590-Y695 HydrophobicContact CE1-CE1 4.14Å; F590-W698 HydrophobicContact CB-CB 4.31Å
591E92.6Very high94.2Very high89 Ų8937.9 Ų37.942%0.41618%0.179SC..G310 helixtrans-81.7-16.4176.3-59.8-174.2129.700113.1K549 A588 P589K549-E591 WeakPolarHBondContact CE-OE2 3.36Å; K549-E591 HydrophobicContact CG-CB 4.35Å; K549-E591 IonicContact NZ-OE1 3.16Å; K549-E591 IonicContact NZ-OE2 3.71Å; K549-E591 PolarHBondContact NZ-OE2 3.28Å; A588-E591 HydrophobicContact CB-CG 3.93Å; A588-E591 WeakPolarHBondContact CB-OE2 3.29Å; A588-E591 PolarHBondContact O-N 2.94Å; P589-E591 VanDerWaalsContact C-N 3.28Å; P589-E591 PolarHBondContact O-N 2.81Å
592A92.4Very high94Very high7 Ų742.4 Ų42.46%0.05820%0.2CC..BIsolated β-bridgetrans-80147.8178.600000112.2E545 F548 P589 F590 I594 F597E545-A592 HydrophobicContact CB-CB 4.02Å; F548-A592 HydrophobicContact CB-CB 3.9Å; P589-A592 PolarHBondContact O-N 3.24Å; F590-A592 VanDerWaalsContact C-N 3.35Å; A592-I594 PolarHBondContact O-N 3.05Å; A592-I594 VanDerWaalsContact O-N 3.11Å; A592-F597 HydrophobicContact CB-CB 4.29Å; A592-F597 HydrophobicContact CB-CD1 3.79Å; A592-F597 HydrophobicContact CB-CD2 4.33Å; A592-F597 HydrophobicContact CB-CE1 4.08Å; A592-F597 HydrophobicContact CB-CG 3.92Å; A592-F597 HydrophobicContact CB-CZ 4.46Å
593D92.6Very high93.8Very high60 Ų6044.1 Ų44.132%0.32121%0.208SC..  trans-67.7109.7165.1-175.54.3000110.4F548 R595 P596 F597F548-D593 PolarHBondContact O-N 2.74Å; D593-R595 VanDerWaalsContact C-N 3.3Å; D593-R595 PolarHBondContact O-N 2.87Å; D593-P596 HydrophobicContact CB-CG 3.84Å; D593-P596 VanDerWaalsContact CG-CD 3.41Å; D593-P596 WeakPolarHBondContact O-CD 3.21Å; D593-P596 WeakPolarHBondContact O-CG 3.43Å; D593-P596 WeakPolarHBondContact OD2-CD 3.39Å; D593-F597 WeakPolarHBondContact O-CB 3.22Å; D593-F597 PolarHBondContact O-N 2.77Å; D593-F597 VanDerWaalsContact O-N 3.16Å
594I91.6Very high93.7Very high41 Ų4144.7 Ų44.721%0.2121%0.211CC..Hα-helixtrans-53.8-41.5-173.1-71.4165.6000112.6A592 F597 C598 K701A592-I594 PolarHBondContact O-N 3.05Å; A592-I594 VanDerWaalsContact O-N 3.11Å; I594-F597 PolarHBondContact O-N 3.23Å; I594-C598 WeakPolarHBondContact O-CB 3.33Å; I594-C598 PolarHBondContact O-N 2.96Å; I594-C598 PolarHBondContact O-SG 3.44Å; I594-C598 VanDerWaalsContact O-SG 3.37Å; I594-K701 HydrophobicContact CD1-CB 3.73Å; I594-K701 HydrophobicContact CD1-CD 3.84Å; I594-K701 HydrophobicContact CD1-CG 4.42Å
595R91.4Very high93.6Very high214 Ų21444.7 Ų44.781%0.80821%0.211SC*.Hα-helixtrans-61.9-59-174.3-92.5-172.1-118.4-171.5-3.5113D593 F597 K599D593-R595 VanDerWaalsContact C-N 3.3Å; D593-R595 PolarHBondContact O-N 2.87Å; R595-F597 VanDerWaalsContact C-N 3.29Å; R595-F597 PolarHBondContact O-N 3.39Å; R595-K599 VanDerWaalsContact O-CB 3.27Å; R595-K599 WeakPolarHBondContact O-CB 3.45Å; R595-K599 PolarHBondContact O-N 2.83Å
596P92.1Very high93.5Very high36 Ų3645.4 Ų45.423%0.23421%0.214CC..Hα-helixtrans-67.7-30.6177.627.6-35.8000112.3F548 D593 K599 L600F548-P596 HydrophobicContact CD1-CB 3.77Å; F548-P596 HydrophobicContact CD1-CG 3.83Å; F548-P596 HydrophobicContact CE1-CB 3.83Å; F548-P596 HydrophobicContact CE1-CG 4.41Å; D593-P596 HydrophobicContact CB-CG 3.84Å; D593-P596 VanDerWaalsContact CG-CD 3.41Å; D593-P596 WeakPolarHBondContact O-CD 3.21Å; D593-P596 WeakPolarHBondContact O-CG 3.43Å; D593-P596 WeakPolarHBondContact OD2-CD 3.39Å; P596-K599 PolarHBondContact O-N 3.01Å; P596-L600 PolarHBondContact O-N 3.37Å; P596-L600 VanDerWaalsContact O-N 3.12Å
597F92.1Very high93.5Very high0 Ų045.4 Ų45.40%021%0.214CC..Hα-helixtrans-65.7-53.9-180-165.7-135.3000112L478 C544 F548 P589 A592 D593 I594 R595 K599 L600 Y601 W698L478-F597 HydrophobicContact CD1-CE1 4.43Å; L478-F597 HydrophobicContact CD1-CE2 4.44Å; L478-F597 HydrophobicContact CD1-CZ 3.81Å; L478-F597 HydrophobicContact CD2-CD1 4.19Å; L478-F597 HydrophobicContact CD2-CE1 3.52Å; L478-F597 HydrophobicContact CD2-CZ 3.72Å; L478-F597 HydrophobicContact CG-CZ 4.46Å; C544-F597 HydrophobicContact CB-CE2 4.26Å; C544-F597 VanDerWaalsContact SG-CE2 3.59Å; F548-F597 HydrophobicContact CB-CB 4.49Å; F548-F597 HydrophobicContact CB-CD2 4.46Å; F548-F597 HydrophobicContact CD2-CB 4.39Å; F548-F597 AromaticContact CD2-CD2 3.32Å; F548-F597 HydrophobicContact CD2-CD2 3.32Å; F548-F597 AromaticContact CD2-CE2 3.92Å; F548-F597 HydrophobicContact CD2-CE2 3.92Å; F548-F597 HydrophobicContact CD2-CG 4.25Å; F548-F597 AromaticContact CE2-CD2 3.67Å; F548-F597 HydrophobicContact CE2-CD2 3.67Å; F548-F597 HydrophobicContact CE2-CE2 4.26Å; F548-F597 HydrophobicContact CG-CB 4.25Å; F548-F597 AromaticContact CG-CD2 3.99Å; F548-F597 HydrophobicContact CG-CD2 3.99Å; P589-F597 HydrophobicContact CB-CE1 4.17Å; A592-F597 HydrophobicContact CB-CB 4.29Å; A592-F597 HydrophobicContact CB-CD1 3.79Å; A592-F597 HydrophobicContact CB-CD2 4.33Å; A592-F597 HydrophobicContact CB-CE1 4.08Å; A592-F597 HydrophobicContact CB-CG 3.92Å; A592-F597 HydrophobicContact CB-CZ 4.46Å; D593-F597 WeakPolarHBondContact O-CB 3.22Å; D593-F597 PolarHBondContact O-N 2.77Å; D593-F597 VanDerWaalsContact O-N 3.16Å; I594-F597 PolarHBondContact O-N 3.23Å; R595-F597 VanDerWaalsContact C-N 3.29Å; R595-F597 PolarHBondContact O-N 3.39Å; F597-K599 PolarHBondContact O-N 3.43Å; F597-L600 PolarHBondContact O-N 3.25Å; F597-Y601 AromaticContact CD2-CD2 3.92Å; F597-Y601 HydrophobicContact CD2-CD2 3.92Å; F597-Y601 AromaticContact CD2-CE2 3.89Å; F597-Y601 HydrophobicContact CD2-CE2 3.89Å; F597-Y601 AromaticContact CE2-CD2 3.9Å; F597-Y601 HydrophobicContact CE2-CD2 3.9Å; F597-Y601 AromaticContact CE2-CE2 3.62Å; F597-Y601 HydrophobicContact CE2-CE2 3.62Å; F597-Y601 HydrophobicContact CZ-CE2 4.49Å; F597-Y601 WeakPolarHBondContact O-CD2 3.47Å; F597-Y601 PolarHBondContact O-N 3.18Å; F597-Y601 VanDerWaalsContact O-N 3.1Å; F597-W698 HydrophobicContact CD1-CZ2 4.27Å; F597-W698 HydrophobicContact CE1-CZ2 4.04Å
598C92.1Very high93.4Very high16 Ų1644.4 Ų44.411%0.10821%0.207CC..Hα-helixtrans-70-15.3175.4-60.40000113.5I594 Y601 I604 P703I594-C598 WeakPolarHBondContact O-CB 3.33Å; I594-C598 PolarHBondContact O-N 2.96Å; I594-C598 PolarHBondContact O-SG 3.44Å; I594-C598 VanDerWaalsContact O-SG 3.37Å; C598-Y601 VanDerWaalsContact O-O 3.09Å; C598-I604 HydrophobicContact CB-CD1 4.28Å; C598-P703 HydrophobicContact CB-CG 4.02Å
599K92.4Very high93.3Very high177 Ų17746.3 Ų46.377%0.7721%0.211SC*.Hα-helixtrans-77.9-33.1172.9-174.8174.3-175.9173.50112.1R595 P596 F597R595-K599 VanDerWaalsContact O-CB 3.27Å; R595-K599 WeakPolarHBondContact O-CB 3.45Å; R595-K599 PolarHBondContact O-N 2.83Å; P596-K599 PolarHBondContact O-N 3.01Å; F597-K599 PolarHBondContact O-N 3.43Å
600L94.2Very high93.3Very high12 Ų1246.4 Ų46.46%0.06321%0.212CC..Hα-helixtrans-75.7-46.6175.1177.563.1000110.7S476 F548 L567 P568 M571 L582 P596 F597S476-L600 WeakPolarHBondContact CB-O 3.46Å; S476-L600 PolarHBondContact OG-O 2.89Å; F548-L600 HydrophobicContact CE2-CD2 3.97Å; F548-L600 HydrophobicContact CZ-CB 4.25Å; F548-L600 HydrophobicContact CZ-CD2 3.68Å; L567-L600 HydrophobicContact CD2-CD1 4.28Å; L567-L600 HydrophobicContact CD2-CD2 3.73Å; L567-L600 HydrophobicContact CG-CD1 4.32Å; P568-L600 HydrophobicContact CB-CD1 4.49Å; P568-L600 HydrophobicContact CG-CD1 4.23Å; M571-L600 HydrophobicContact CG-CD1 4.11Å; L582-L600 HydrophobicContact CD2-CD1 3.91Å; L582-L600 HydrophobicContact CD2-CD2 4.34Å; L582-L600 HydrophobicContact CD2-CG 4.13Å; P596-L600 PolarHBondContact O-N 3.37Å; P596-L600 VanDerWaalsContact O-N 3.12Å; F597-L600 PolarHBondContact O-N 3.25Å
601Y95Very high93.2Very high1 Ų144.8 Ų44.80%0.00421%0.207CC..  trans-98102.5-178.1-61.7-75.3000111.7S476 L477 L478 C544 L582 F597 C598S476-Y601 WeakPolarHBondContact OG-CA 3.41Å; L477-Y601 WeakPolarHBondContact O-CD1 3.35Å; L478-Y601 HydrophobicContact CB-CD1 3.99Å; L478-Y601 HydrophobicContact CB-CD2 4.32Å; L478-Y601 HydrophobicContact CB-CG 3.75Å; L478-Y601 HydrophobicContact CD1-CD2 4.35Å; L478-Y601 HydrophobicContact CD1-CE2 4.44Å; L478-Y601 HydrophobicContact CD2-CD2 4.42Å; C544-Y601 HydrophobicContact CB-CE2 4.26Å; C544-Y601 VanDerWaalsContact CB-OH 3.28Å; C544-Y601 WeakPolarHBondContact CB-OH 3.36Å; L582-Y601 HydrophobicContact CD2-CE1 4.13Å; L582-Y601 HydrophobicContact CG-CE1 4.13Å; F597-Y601 AromaticContact CD2-CD2 3.92Å; F597-Y601 HydrophobicContact CD2-CD2 3.92Å; F597-Y601 AromaticContact CD2-CE2 3.89Å; F597-Y601 HydrophobicContact CD2-CE2 3.89Å; F597-Y601 AromaticContact CE2-CD2 3.9Å; F597-Y601 HydrophobicContact CE2-CD2 3.9Å; F597-Y601 AromaticContact CE2-CE2 3.62Å; F597-Y601 HydrophobicContact CE2-CE2 3.62Å; F597-Y601 HydrophobicContact CZ-CE2 4.49Å; F597-Y601 WeakPolarHBondContact O-CD2 3.47Å; F597-Y601 PolarHBondContact O-N 3.18Å; F597-Y601 VanDerWaalsContact O-N 3.1Å; C598-Y601 VanDerWaalsContact O-O 3.09Å
602Q91.6Very high93.3Very high99 Ų9944.8 Ų44.846%0.46320%0.204SC..SBendtrans-64.5-44.3-179.4-65.2172.4-2.900113.2F473 S476F473-Q602 PolarHBondContact O-OE1 2.7Å; S476-Q602 WeakPolarHBondContact OG-CG 3.46Å; S476-Q602 PolarHBondContact OG-N 2.92Å
603K94.2Very high93.2Very high36 Ų3646.2 Ų46.216%0.15722%0.216CC..EExtended strand (participates in β ladder)trans-110.2133.5178.9-73.2-64.7-172.31680110.2E8 Y457 I474 S476 L477 L478E8-K603 VanDerWaalsContact CD-NZ 3.32Å; E8-K603 WeakPolarHBondContact OE1-CD 3.16Å; E8-K603 IonicContact OE1-NZ 3.27Å; E8-K603 PolarHBondContact OE1-NZ 2.93Å; E8-K603 IonicContact OE2-NZ 2.8Å; E8-K603 PolarHBondContact OE2-NZ 3.31Å; Y457-K603 HydrophobicContact CD2-CB 4.37Å; Y457-K603 HydrophobicContact CD2-CD 4.21Å; Y457-K603 HydrophobicContact CD2-CG 4.25Å; Y457-K603 HydrophobicContact CE2-CD 3.83Å; Y457-K603 HydrophobicContact CE2-CG 4.37Å; Y457-K603 PolarHBondContact OH-NZ 2.87Å; I474-K603 HydrophobicContact CD1-CG 4.2Å; I474-K603 HydrophobicContact CG1-CG 4.05Å; I474-K603 HydrophobicContact CG2-CB 4.34Å; I474-K603 HydrophobicContact CG2-CG 3.96Å; S476-K603 PolarHBondContact O-N 3.41Å; L477-K603 CarbonylContact C-O 3.17Å; L477-K603 WeakPolarHBondContact CA-O 3.22Å; L477-K603 HydrophobicContact CD1-CB 3.7Å; L478-K603 PolarHBondContact N-O 3.45Å
604I95.3Very high93.2Very high13 Ų1343.4 Ų43.47%0.06720%0.2CC..EExtended strand (participates in β ladder)trans-127.2114.2-175.1-56.7174.7000108L478 C598 W698 Y699 T702L478-I604 HydrophobicContact CB-CG1 4.31Å; L478-I604 HydrophobicContact CD2-CG1 4.26Å; L478-I604 HydrophobicContact CD2-CG2 4.1Å; L478-I604 HydrophobicContact CG-CG2 4.47Å; C598-I604 HydrophobicContact CB-CD1 4.28Å; I604-W698 HydrophobicContact CG2-CH2 3.6Å; I604-W698 HydrophobicContact CG2-CZ3 4.13Å; I604-Y699 HydrophobicContact CG2-CD2 4.46Å; I604-Y699 HydrophobicContact CG2-CE2 4.21Å; I604-T702 HydrophobicContact CD1-CG2 3.88Å
605I95.6Very high93.3Very high0 Ų041.8 Ų41.80%019%0.192CC..EExtended strand (participates in β ladder)trans-104.8117.1174.5-59.5177000107.5V450 L453 V454 L477 L478 L479 A480 I607V450-I605 HydrophobicContact CG1-CG2 4.28Å; V450-I605 HydrophobicContact CG2-CG2 4.27Å; L453-I605 HydrophobicContact CB-CD1 3.7Å; L453-I605 HydrophobicContact CB-CG1 4.25Å; L453-I605 HydrophobicContact CD1-CG1 4.27Å; L453-I605 HydrophobicContact CD1-CG2 4.38Å; V454-I605 HydrophobicContact CG2-CD1 3.98Å; L477-I605 HydrophobicContact CD1-CD1 3.7Å; L477-I605 HydrophobicContact CD1-CG1 3.86Å; L477-I605 HydrophobicContact CD2-CD1 4.2Å; L477-I605 HydrophobicContact CG-CD1 4.37Å; L478-I605 PolarHBondContact O-N 2.89Å; L479-I605 HydrophobicContact CD2-CB 4.15Å; L479-I605 HydrophobicContact CD2-CD1 4.17Å; A480-I605 PolarHBondContact N-O 3.33Å; I605-I607 HydrophobicContact CG2-CG1 4.18Å
606L95.1Very high93.4Very high19 Ų1932.9 Ų32.910%0.09916%0.16CC..EExtended strand (participates in β ladder)trans-83.3119.9168.3-178.865.8000108.9Y9 A480 P608 Y695 Y699Y9-L606 WeakPolarHBondContact OH-CA 3.46Å; Y9-L606 PolarHBondContact OH-N 3.4Å; Y9-L606 PolarHBondContact OH-O 3.16Å; A480-L606 CarbonylContact O-C 3.46Å; A480-L606 WeakPolarHBondContact O-CA 3.34Å; L606-P608 WeakPolarHBondContact O-CD 3.49Å; L606-Y695 HydrophobicContact CD1-CD1 4.15Å; L606-Y695 HydrophobicContact CD1-CG 4.31Å; L606-Y699 HydrophobicContact CB-CD2 3.95Å; L606-Y699 HydrophobicContact CB-CE2 4.06Å; L606-Y699 HydrophobicContact CD2-CD2 4.39Å; L606-Y699 HydrophobicContact CD2-CG 4.21Å
607I95.8Very high93.4Very high0 Ų032.2 Ų32.20%016%0.155CC..  trans-98.2111.1178.3-60.5167.6000107.3L447 V450 L479 A480 G481 P482 T485 K487 L490 I605L447-I607 HydrophobicContact CD2-CG2 4.3Å; V450-I607 HydrophobicContact CG1-CD1 4.4Å; V450-I607 HydrophobicContact CG1-CG1 3.96Å; V450-I607 HydrophobicContact CG2-CG1 4.17Å; L479-I607 HydrophobicContact CB-CD1 3.94Å; L479-I607 HydrophobicContact CD2-CD1 4.27Å; A480-I607 PolarHBondContact O-N 2.98Å; G481-I607 WeakPolarHBondContact CA-O 3.23Å; P482-I607 WeakPolarHBondContact CD-O 3.22Å; T485-I607 HydrophobicContact CG2-CG2 4.38Å; K487-I607 HydrophobicContact CG-CD1 3.83Å; L490-I607 HydrophobicContact CD1-CD1 3.65Å; I605-I607 HydrophobicContact CG2-CG1 4.18Å
608P93.1Very high93.5Very high10 Ų1032.4 Ų32.47%0.06516%0.155CC..PPolyproline II helixtrans-76168.6-179.635.6-37.3000110.5P445 L447 L606P445-P608 HydrophobicContact CB-CG 4.42Å; P445-P608 HydrophobicContact CG-CB 4.3Å; P445-P608 HydrophobicContact CG-CG 4.04Å; P445-P608 WeakPolarHBondContact O-CG 3.49Å; L447-P608 HydrophobicContact CD2-CG 4.48Å; L606-P608 WeakPolarHBondContact O-CD 3.49Å
609R92.9Very high93.6Very high55 Ų5531.7 Ų31.721%0.20815%0.15CC..PPolyproline II helixtrans-65.5151.3160.866.9-178.9179.293.3-9.1109.4D611 D644 E692R609-D611 PolarHBondContact O-N 3.35Å; R609-D644 IonicContact CZ-OD1 3.16Å; R609-D644 IonicContact NH1-OD1 3.61Å; R609-D644 PolarHBondContact NH1-OD1 2.85Å; R609-D644 IonicContact NH2-OD1 3.05Å; R609-E692 IonicContact CZ-OE2 2.7Å; R609-E692 IonicContact NE-OE2 3.64Å; R609-E692 PolarHBondContact NE-OE2 3.23Å; R609-E692 IonicContact NH2-OE2 2.59Å; R609-E692 PolarHBondContact NH2-OE2 3.38Å
610P94.1Very high93.6Very high2 Ų225.9 Ų25.91%0.01312%0.124CC..PPolyproline II helixtrans-62.7134.3178.526.2-34.5000111.3L447 R615 I618 Y646L447-P610 HydrophobicContact CD1-CB 3.98Å; P610-R615 HydrophobicContact CB-CG 3.66Å; P610-R615 HydrophobicContact CG-CG 3.6Å; P610-R615 PolarHBondContact O-NH1 2.97Å; P610-I618 HydrophobicContact CB-CD1 3.61Å; P610-I618 HydrophobicContact CG-CD1 4.07Å; P610-Y646 WeakPolarHBondContact CG-O 3.49Å
611D92.1Very high93.4Very high53 Ų5327.6 Ų27.628%0.28314%0.135SC..  trans-70.8174.1171.269.7-68.9000111.1R609 A613 S614 R615R609-D611 PolarHBondContact O-N 3.35Å; D611-A613 VanDerWaalsContact C-N 3.33Å; D611-A613 PolarHBondContact O-N 2.93Å; D611-A613 WeakPolarHBondContact OD2-CB 3.17Å; D611-A613 PolarHBondContact OD2-N 2.71Å; D611-S614 PolarHBondContact O-N 3.4Å; D611-S614 WeakPolarHBondContact OD1-CB 3.32Å; D611-S614 PolarHBondContact OD1-OG 3.2Å; D611-S614 PolarHBondContact OD2-N 2.54Å; D611-R615 WeakPolarHBondContact O-CB 3.43Å; D611-R615 WeakPolarHBondContact O-CG 3.35Å; D611-R615 PolarHBondContact O-N 3.15Å
612Y92.7Very high93.3Very high90 Ų9028.9 Ų28.935%0.35314%0.141SC..Hα-helixtrans-56.1-45.5-176.9-177.4-94.6000112.7R615 N616 T637 T640 K641Y612-R615 PolarHBondContact O-N 3.38Å; Y612-N616 PolarHBondContact O-N 3.23Å; Y612-N616 VanDerWaalsContact O-N 3.14Å; Y612-T637 WeakPolarHBondContact OH-CG2 3.32Å; Y612-T637 PolarHBondContact OH-O 2.75Å; Y612-T640 HydrophobicContact CD1-CG2 4.41Å; Y612-T640 HydrophobicContact CD2-CG2 3.55Å; Y612-T640 HydrophobicContact CE1-CG2 4.31Å; Y612-T640 HydrophobicContact CE2-CG2 3.4Å; Y612-T640 VanDerWaalsContact CE2-CG2 3.4Å; Y612-T640 HydrophobicContact CG-CG2 4.05Å; Y612-T640 WeakPolarHBondContact O-CG2 3.34Å; Y612-K641 HydrophobicContact CE2-CB 4.45Å; Y612-K641 HydrophobicContact CE2-CG 3.61Å
613A91.1Very high93.3Very high37 Ų3724.1 Ų24.131%0.30612%0.119SC..Hα-helixtrans-67.8-46.3-17800000110.5E428 D611 R615 N616 I617E428-A613 HydrophobicContact CB-CB 3.84Å; E428-A613 HydrophobicContact CG-CB 3.93Å; D611-A613 VanDerWaalsContact C-N 3.33Å; D611-A613 PolarHBondContact O-N 2.93Å; D611-A613 WeakPolarHBondContact OD2-CB 3.17Å; D611-A613 PolarHBondContact OD2-N 2.71Å; A613-R615 VanDerWaalsContact C-N 3.35Å; A613-R615 PolarHBondContact O-N 3.21Å; A613-N616 WeakPolarHBondContact O-CB 3.34Å; A613-N616 PolarHBondContact O-N 3.05Å; A613-I617 PolarHBondContact O-N 3.43Å
614S92.8Very high93.2Very high0 Ų026.1 Ų26.10%013%0.13CC..Hα-helixtrans-59.3-42.2175-64.60000112.5G427 E428 D611 N616 I617 I618G427-S614 WeakPolarHBondContact CA-OG 3.12Å; E428-S614 PolarHBondContact N-OG 2.93Å; D611-S614 PolarHBondContact O-N 3.4Å; D611-S614 WeakPolarHBondContact OD1-CB 3.32Å; D611-S614 PolarHBondContact OD1-OG 3.2Å; D611-S614 PolarHBondContact OD2-N 2.54Å; S614-N616 VanDerWaalsContact C-N 3.32Å; S614-N616 PolarHBondContact O-N 2.88Å; S614-I617 PolarHBondContact O-N 3.27Å; S614-I618 WeakPolarHBondContact O-CB 3.42Å; S614-I618 WeakPolarHBondContact O-CD1 3.45Å; S614-I618 WeakPolarHBondContact O-CG1 3.26Å; S614-I618 PolarHBondContact O-N 2.67Å
615R94.2Very high92.9Very high8 Ų831.3 Ų31.33%0.0315%0.149CC..Hα-helixtrans-61.5-38.5177.8-75.4-165.7-52.9-101.915.1112.5P610 D611 Y612 A613 I617 I618 W619 T640 S643 D644 I651P610-R615 HydrophobicContact CB-CG 3.66Å; P610-R615 HydrophobicContact CG-CG 3.6Å; P610-R615 PolarHBondContact O-NH1 2.97Å; D611-R615 WeakPolarHBondContact O-CB 3.43Å; D611-R615 WeakPolarHBondContact O-CG 3.35Å; D611-R615 PolarHBondContact O-N 3.15Å; Y612-R615 PolarHBondContact O-N 3.38Å; A613-R615 VanDerWaalsContact C-N 3.35Å; A613-R615 PolarHBondContact O-N 3.21Å; R615-I617 VanDerWaalsContact C-N 3.31Å; R615-I617 PolarHBondContact O-N 3.27Å; R615-I618 PolarHBondContact O-N 3.43Å; R615-W619 VanDerWaalsContact O-CD1 3.22Å; R615-W619 PolarHBondContact O-N 3.43Å; R615-T640 HydrophobicContact CB-CG2 3.73Å; R615-T640 PolarHBondContact NE-O 3.09Å; R615-T640 PolarHBondContact NH2-O 3.48Å; R615-S643 WeakPolarHBondContact CD-O 3.34Å; R615-S643 PolarHBondContact NE-O 3.13Å; R615-D644 IonicContact CZ-OD1 2.73Å; R615-D644 VanDerWaalsContact CZ-OD1 3.24Å; R615-D644 IonicContact NH1-OD1 3.05Å; R615-D644 PolarHBondContact NH1-OD1 2.69Å; R615-D644 IonicContact NH2-OD1 2.83Å; R615-D644 PolarHBondContact NH2-OD1 3.41Å; R615-I651 HydrophobicContact CG-CD1 4.14Å
616N93.1Very high92.6Very high27 Ų2734.2 Ų34.214%0.14416%0.162CC..Hα-helixtrans-60.1-45.8177.7-165-80.3000111Y612 A613 S614 W619 R620 T640Y612-N616 PolarHBondContact O-N 3.23Å; Y612-N616 VanDerWaalsContact O-N 3.14Å; A613-N616 WeakPolarHBondContact O-CB 3.34Å; A613-N616 PolarHBondContact O-N 3.05Å; S614-N616 VanDerWaalsContact C-N 3.32Å; S614-N616 PolarHBondContact O-N 2.88Å; N616-W619 PolarHBondContact O-N 3.38Å; N616-R620 WeakPolarHBondContact O-CG 3.33Å; N616-R620 PolarHBondContact O-N 3Å; N616-R620 VanDerWaalsContact O-N 3.12Å; N616-R620 PolarHBondContact OD1-NE 3.41Å; N616-T640 WeakPolarHBondContact CA-OG1 3.47Å; N616-T640 HydrophobicContact CB-CG2 3.98Å; N616-T640 PolarHBondContact ND2-OG1 2.87Å
617I91.8Very high92.2Very high22 Ų2235 Ų3511%0.11318%0.175CC..Hα-helixtrans-66.7-44.8177.9-61172.4000110.2E428 A613 S614 R615 W619 R620 T621E428-I617 HydrophobicContact CB-CD1 3.97Å; E428-I617 HydrophobicContact CG-CD1 4.28Å; E428-I617 WeakPolarHBondContact OE2-CD1 3.49Å; A613-I617 PolarHBondContact O-N 3.43Å; S614-I617 PolarHBondContact O-N 3.27Å; R615-I617 VanDerWaalsContact C-N 3.31Å; R615-I617 PolarHBondContact O-N 3.27Å; I617-W619 VanDerWaalsContact C-N 3.34Å; I617-W619 PolarHBondContact O-N 2.7Å; I617-R620 WeakPolarHBondContact O-CB 3.49Å; I617-R620 PolarHBondContact O-N 3.36Å; I617-R620 VanDerWaalsContact O-N 3.16Å; I617-T621 WeakPolarHBondContact O-CB 3.31Å; I617-T621 PolarHBondContact O-N 2.89Å; I617-T621 PolarHBondContact O-OG1 3.33Å
618I93.8Very high91.8Very high4 Ų435.3 Ų35.32%0.02118%0.178CC..Hα-helixtrans-56.9-47.4177.2-69.4160.8000110.4L447 P610 S614 R615 R620 T621 Q622 I651L447-I618 HydrophobicContact CD1-CD1 4.04Å; P610-I618 HydrophobicContact CB-CD1 3.61Å; P610-I618 HydrophobicContact CG-CD1 4.07Å; S614-I618 WeakPolarHBondContact O-CB 3.42Å; S614-I618 WeakPolarHBondContact O-CD1 3.45Å; S614-I618 WeakPolarHBondContact O-CG1 3.26Å; S614-I618 PolarHBondContact O-N 2.67Å; R615-I618 PolarHBondContact O-N 3.43Å; I618-R620 PolarHBondContact O-N 2.87Å; I618-T621 PolarHBondContact O-N 3.01Å; I618-Q622 HydrophobicContact CG2-CG 3.89Å; I618-Q622 VanDerWaalsContact O-CB 3.28Å; I618-Q622 WeakPolarHBondContact O-CB 3.5Å; I618-Q622 WeakPolarHBondContact O-CG 3.21Å; I618-Q622 PolarHBondContact O-N 3.17Å; I618-I651 HydrophobicContact CG2-CB 4.17Å; I618-I651 HydrophobicContact CG2-CD1 4.13Å; I618-I651 HydrophobicContact CG2-CG2 3.88Å
619W94.2Very high91.5Very high0 Ų039.6 Ų39.60%020%0.2CC..Hα-helixtrans-56.4-50.3175.5-84.8115000111.8R615 N616 I617 T621 Q622 I623 I636 L639 S643 I651 A654 C655 F677 L681R615-W619 VanDerWaalsContact O-CD1 3.22Å; R615-W619 PolarHBondContact O-N 3.43Å; N616-W619 PolarHBondContact O-N 3.38Å; I617-W619 VanDerWaalsContact C-N 3.34Å; I617-W619 PolarHBondContact O-N 2.7Å; W619-T621 PolarHBondContact O-N 3.42Å; W619-Q622 PolarHBondContact O-N 3.49Å; W619-I623 HydrophobicContact CE3-CD1 4.08Å; W619-I623 HydrophobicContact CE3-CG1 4.36Å; W619-I623 WeakPolarHBondContact O-CB 3.42Å; W619-I623 VanDerWaalsContact O-CD1 3.26Å; W619-I623 WeakPolarHBondContact O-CD1 3.25Å; W619-I623 WeakPolarHBondContact O-CG1 3.41Å; W619-I623 PolarHBondContact O-N 3.03Å; W619-I636 HydrophobicContact CB-CG2 3.81Å; W619-L639 HydrophobicContact CD2-CB 4.4Å; W619-L639 HydrophobicContact CD2-CD1 4.46Å; W619-L639 HydrophobicContact CE3-CD1 4.34Å; W619-S643 PolarHBondContact NE1-OG 3.34Å; W619-S643 VanDerWaalsContact NE1-OG 3.07Å; W619-I651 HydrophobicContact CD2-CG2 3.58Å; W619-I651 HydrophobicContact CE3-CG2 3.69Å; W619-I651 HydrophobicContact CG-CG2 4.16Å; W619-I651 HydrophobicContact CH2-CG2 3.96Å; W619-I651 HydrophobicContact CZ2-CB 4.43Å; W619-I651 HydrophobicContact CZ2-CG1 4.09Å; W619-I651 HydrophobicContact CZ2-CG2 3.84Å; W619-I651 HydrophobicContact CZ3-CG2 3.89Å; W619-A654 HydrophobicContact CH2-CB 4.18Å; W619-C655 VanDerWaalsContact CZ3-SG 3.56Å; W619-F677 HydrophobicContact CH2-CB 4.01Å; W619-F677 HydrophobicContact CH2-CD1 4.14Å; W619-F677 HydrophobicContact CH2-CG 4.25Å; W619-F677 HydrophobicContact CZ3-CB 4.23Å; W619-F677 AromaticContact CZ3-CD1 3.61Å; W619-F677 HydrophobicContact CZ3-CD1 3.61Å; W619-F677 HydrophobicContact CZ3-CE1 4.14Å; W619-F677 AromaticContact CZ3-CG 3.96Å; W619-F677 HydrophobicContact CZ3-CG 3.96Å; W619-L681 HydrophobicContact CH2-CD1 4.01Å; W619-L681 HydrophobicContact CH2-CD2 4.3Å; W619-L681 HydrophobicContact CH2-CG 4.38Å; W619-L681 HydrophobicContact CZ2-CD1 3.81Å; W619-L681 HydrophobicContact CZ2-CD2 4.21Å; W619-L681 HydrophobicContact CZ2-CG 4.47Å
620R92.1Very high91.1Very high55 Ų5539 Ų3921%0.20820%0.2CC..Hα-helixtrans-56.7-51.1178.2-72.4172.7-180-93.61.9111.5N152 N616 I617 I618 I624 L630 I636N152-R620 PolarHBondContact OD1-NH1 2.84Å; N152-R620 VanDerWaalsContact OD1-NH1 3.07Å; N616-R620 WeakPolarHBondContact O-CG 3.33Å; N616-R620 PolarHBondContact O-N 3Å; N616-R620 VanDerWaalsContact O-N 3.12Å; N616-R620 PolarHBondContact OD1-NE 3.41Å; I617-R620 WeakPolarHBondContact O-CB 3.49Å; I617-R620 PolarHBondContact O-N 3.36Å; I617-R620 VanDerWaalsContact O-N 3.16Å; I618-R620 PolarHBondContact O-N 2.87Å; R620-I624 WeakPolarHBondContact O-CD1 3.43Å; R620-I624 VanDerWaalsContact O-CG1 3.31Å; R620-I624 WeakPolarHBondContact O-CG1 3.29Å; R620-I624 PolarHBondContact O-N 3.15Å; R620-L630 HydrophobicContact CB-CD1 3.99Å; R620-L630 HydrophobicContact CG-CD1 3.96Å; R620-I636 HydrophobicContact CG-CD1 3.48Å; R620-I636 VanDerWaalsContact CG-CD1 3.48Å; R620-I636 HydrophobicContact CG-CG2 4.26Å
621T90.9Very high90.7Very high49 Ų4940.9 Ų40.930%0.30121%0.212SC..Hα-helixtrans-65.9-45.2-177-56.50000111.5I617 I618 W619 I624 R625I617-T621 WeakPolarHBondContact O-CB 3.31Å; I617-T621 PolarHBondContact O-N 2.89Å; I617-T621 PolarHBondContact O-OG1 3.33Å; I618-T621 PolarHBondContact O-N 3.01Å; W619-T621 PolarHBondContact O-N 3.42Å; T621-I624 PolarHBondContact O-N 3.49Å; T621-R625 WeakPolarHBondContact O-CB 3.42Å; T621-R625 PolarHBondContact O-N 3.15Å
622Q92Very high90.1Very high27 Ų2744.2 Ų44.213%0.12623%0.23CC..Hα-helixtrans-68.3-40.6-178.7-67-57.9-26.400112.1I618 W619 I624 R625 H626 A652 C655I618-Q622 HydrophobicContact CG2-CG 3.89Å; I618-Q622 VanDerWaalsContact O-CB 3.28Å; I618-Q622 WeakPolarHBondContact O-CB 3.5Å; I618-Q622 WeakPolarHBondContact O-CG 3.21Å; I618-Q622 PolarHBondContact O-N 3.17Å; W619-Q622 PolarHBondContact O-N 3.49Å; Q622-I624 VanDerWaalsContact C-N 3.33Å; Q622-I624 PolarHBondContact O-N 2.81Å; Q622-R625 PolarHBondContact O-N 3.18Å; Q622-H626 PolarHBondContact O-CD2 3.23Å; Q622-H626 PolarHBondContact O-N 3.44Å; Q622-A652 HydrophobicContact CG-CB 4.21Å; Q622-C655 HydrophobicContact CB-CB 4.3Å
623I92.5Very high89.6Confident0 Ų045.9 Ų45.90%024%0.241CC..Hα-helixtrans-60-46.7176.5-68.9163000110.3W619 H626 G627 G628 L630 L634 I659 L672 F677W619-I623 HydrophobicContact CE3-CD1 4.08Å; W619-I623 HydrophobicContact CE3-CG1 4.36Å; W619-I623 WeakPolarHBondContact O-CB 3.42Å; W619-I623 VanDerWaalsContact O-CD1 3.26Å; W619-I623 WeakPolarHBondContact O-CD1 3.25Å; W619-I623 WeakPolarHBondContact O-CG1 3.41Å; W619-I623 PolarHBondContact O-N 3.03Å; I623-H626 PolarHBondContact O-N 3.25Å; I623-G627 PolarHBondContact O-N 3.36Å; I623-G628 VanDerWaalsContact O-CA 3.28Å; I623-G628 WeakPolarHBondContact O-CA 3.35Å; I623-G628 PolarHBondContact O-N 3.03Å; I623-L630 HydrophobicContact CB-CD2 3.97Å; I623-L630 HydrophobicContact CD1-CD2 4.21Å; I623-L630 HydrophobicContact CG2-CD2 3.67Å; I623-L634 HydrophobicContact CD1-CD2 3.88Å; I623-L634 HydrophobicContact CG2-CD2 4.41Å; I623-I659 HydrophobicContact CB-CD1 4.15Å; I623-I659 HydrophobicContact CG1-CD1 4.2Å; I623-I659 HydrophobicContact CG2-CD1 3.91Å; I623-L672 HydrophobicContact CG2-CD1 4.1Å; I623-F677 HydrophobicContact CD1-CZ 4.34Å; I623-F677 HydrophobicContact CG1-CE1 4.48Å; I623-F677 HydrophobicContact CG1-CZ 4.22Å
624I91Very high89.5Confident77 Ų7744.5 Ų44.540%0.39523%0.228SC..Hα-helixtrans-64.2-45177.6-66.9168.4000110.8R620 T621 Q622 H626 G627 L630R620-I624 WeakPolarHBondContact O-CD1 3.43Å; R620-I624 VanDerWaalsContact O-CG1 3.31Å; R620-I624 WeakPolarHBondContact O-CG1 3.29Å; R620-I624 PolarHBondContact O-N 3.15Å; T621-I624 PolarHBondContact O-N 3.49Å; Q622-I624 VanDerWaalsContact C-N 3.33Å; Q622-I624 PolarHBondContact O-N 2.81Å; I624-H626 PolarHBondContact O-N 2.95Å; I624-G627 PolarHBondContact O-N 2.96Å; I624-L630 HydrophobicContact CD1-CD1 3.7Å; I624-L630 HydrophobicContact CD1-CG 4.11Å; I624-L630 HydrophobicContact CG1-CD1 4.1Å; I624-L630 HydrophobicContact CG1-CG 3.98Å
625R88.9Confident89.3Confident123 Ų12348 Ų4846%0.46425%0.246SC..Hα-helixtrans-58.2-35.5-179.6-178.3177.2177.3136.90.5112.4Y420 E424 T621 Q622 G627Y420-R625 VanDerWaalsContact CE1-NH2 3.27Å; E424-R625 IonicContact OE2-CZ 3.57Å; E424-R625 IonicContact OE2-NH1 3.68Å; E424-R625 PolarHBondContact OE2-NH1 3.24Å; E424-R625 IonicContact OE2-NH2 2.82Å; T621-R625 WeakPolarHBondContact O-CB 3.42Å; T621-R625 PolarHBondContact O-N 3.15Å; Q622-R625 PolarHBondContact O-N 3.18Å; R625-G627 VanDerWaalsContact C-N 3.31Å
626H90.5Very high89.2Confident61 Ų6148 Ų4828%0.28225%0.247SC..THydrogen-bonded Turntrans-85.75.6175.9-73.2-74.2000114Q622 I623 I624 I659 I664Q622-H626 PolarHBondContact O-CD2 3.23Å; Q622-H626 PolarHBondContact O-N 3.44Å; I623-H626 PolarHBondContact O-N 3.25Å; I624-H626 PolarHBondContact O-N 2.95Å; H626-I659 HydrophobicContact CB-CB 4.05Å; H626-I659 HydrophobicContact CB-CD1 4.06Å; H626-I659 HydrophobicContact CB-CG2 4.16Å; H626-I659 WeakPolarHBondContact O-CG2 3.35Å; H626-I664 WeakPolarHBondContact O-CD1 3.42Å
627G87Confident89.1Confident35 Ų3549.8 Ų49.836%0.36126%0.259SS..THydrogen-bonded Turntrans88.610.2177.400000114.9I623 I624 R625I623-G627 PolarHBondContact O-N 3.36Å; I624-G627 PolarHBondContact O-N 2.96Å; R625-G627 VanDerWaalsContact C-N 3.31Å
628G86.6Confident89.1Confident7 Ų751.2 Ų51.27%0.07227%0.271CS..  trans-73.1154171.800000112.4I623I623-G628 VanDerWaalsContact O-CA 3.28Å; I623-G628 WeakPolarHBondContact O-CA 3.35Å; I623-G628 PolarHBondContact O-N 3.03Å
629I86.3Confident89.1Confident100 Ų10051 Ų5151%0.51327%0.27SS..  trans-109.3125.3176.9-58.7172.5000107.9T631 L667I629-T631 HydrophobicContact CG2-CG2 4.08Å; I629-T631 PolarHBondContact O-N 3.26Å; I629-L667 HydrophobicContact CD1-CB 4.49Å; I629-L667 HydrophobicContact CD1-CD1 4.48Å; I629-L667 HydrophobicContact CG1-CD1 4.27Å
630L86.3Confident89.1Confident42 Ų4251 Ų5122%0.2227%0.27CS..  trans-74.8116.9172.4-56.1-175.5000109R620 I623 I624 L634 I636R620-L630 HydrophobicContact CB-CD1 3.99Å; R620-L630 HydrophobicContact CG-CD1 3.96Å; I623-L630 HydrophobicContact CB-CD2 3.97Å; I623-L630 HydrophobicContact CD1-CD2 4.21Å; I623-L630 HydrophobicContact CG2-CD2 3.67Å; I624-L630 HydrophobicContact CD1-CD1 3.7Å; I624-L630 HydrophobicContact CD1-CG 4.11Å; I624-L630 HydrophobicContact CG1-CD1 4.1Å; I624-L630 HydrophobicContact CG1-CG 3.98Å; L630-L634 HydrophobicContact CD2-CD2 4.13Å; L630-I636 HydrophobicContact CD1-CD1 4.29Å; L630-I636 HydrophobicContact CD2-CD1 3.82Å
631T84.5Confident89.2Confident42 Ų4255.2 Ų55.226%0.25829%0.29SS..  trans-119.5160.8176.460.10000110I629 E633 L634 C671I629-T631 HydrophobicContact CG2-CG2 4.08Å; I629-T631 PolarHBondContact O-N 3.26Å; T631-E633 PolarHBondContact O-N 3.29Å; T631-L634 PolarHBondContact O-N 3.39Å; T631-C671 HydrophobicContact CG2-CB 4.36Å
632D79.2Confident89.4Confident123 Ų12357.1 Ų57.166%0.65830%0.298SS*.THydrogen-bonded Turntrans-64-18.5176.3-58.4-21000111.8K140 L634K140-D632 IonicContact NZ-OD1 3.36Å; K140-D632 PolarHBondContact NZ-OD1 2.93Å; K140-D632 IonicContact NZ-OD2 2.7Å; K140-D632 PolarHBondContact NZ-OD2 3.24Å; D632-L634 VanDerWaalsContact C-N 3.33Å
633E83.3Confident89.5Confident125 Ų12555.9 Ų55.958%0.58429%0.292SS*.THydrogen-bonded Turntrans-74.9-19.8173.2-66.7-179.9-164.100113.5T631 D635 C671T631-E633 PolarHBondContact O-N 3.29Å; E633-D635 PolarHBondContact O-N 3.24Å; E633-C671 HydrophobicContact CB-CB 4.33Å; E633-C671 WeakPolarHBondContact OE2-CB 3.44Å; E633-C671 PolarHBondContact OE2-SG 3.16Å; E633-C671 VanDerWaalsContact OE2-SG 3.37Å
634L88.6Confident89.6Confident8 Ų859.9 Ų59.94%0.04231%0.313CS..SBendtrans-90.596.7179.7-177.857.8000109.5I623 L630 T631 D632 I636 L639 L672 F677I623-L634 HydrophobicContact CD1-CD2 3.88Å; I623-L634 HydrophobicContact CG2-CD2 4.41Å; L630-L634 HydrophobicContact CD2-CD2 4.13Å; T631-L634 PolarHBondContact O-N 3.39Å; D632-L634 VanDerWaalsContact C-N 3.33Å; L634-I636 HydrophobicContact CG-CG1 4.15Å; L634-I636 PolarHBondContact O-N 3.13Å; L634-L639 HydrophobicContact CD1-CD1 4.11Å; L634-L672 HydrophobicContact CD1-CB 4.17Å; L634-L672 HydrophobicContact CD2-CB 4.06Å; L634-F677 HydrophobicContact CD1-CE2 4.05Å
635D89.2Confident89.7Confident72 Ų7256.6 Ų56.639%0.38530%0.298SS..  trans-74.987.8176.9-1742.2000112E633 T637 S638 L639E633-D635 PolarHBondContact O-N 3.24Å; D635-T637 VanDerWaalsContact C-N 3.26Å; D635-T637 PolarHBondContact O-N 3.46Å; D635-T637 VanDerWaalsContact OD1-CB 3.29Å; D635-T637 WeakPolarHBondContact OD1-CB 3.36Å; D635-T637 PolarHBondContact OD1-N 3.5Å; D635-S638 PolarHBondContact OD1-N 3.04Å; D635-S638 WeakPolarHBondContact OD2-CB 3.42Å; D635-S638 PolarHBondContact OD2-OG 3.18Å; D635-L639 PolarHBondContact O-N 3.44Å
636I91.1Very high90Very high8 Ų852 Ų524%0.04128%0.281CS..Hα-helixtrans-66.7-30.9176.6-55.6176.1000111.1W619 R620 L630 L634 L639 T640W619-I636 HydrophobicContact CB-CG2 3.81Å; R620-I636 HydrophobicContact CG-CD1 3.48Å; R620-I636 VanDerWaalsContact CG-CD1 3.48Å; R620-I636 HydrophobicContact CG-CG2 4.26Å; L630-I636 HydrophobicContact CD1-CD1 4.29Å; L630-I636 HydrophobicContact CD2-CD1 3.82Å; L634-I636 HydrophobicContact CG-CG1 4.15Å; L634-I636 PolarHBondContact O-N 3.13Å; I636-L639 WeakPolarHBondContact O-CB 3.45Å; I636-L639 PolarHBondContact O-N 3.29Å; I636-T640 WeakPolarHBondContact O-CB 3.48Å; I636-T640 PolarHBondContact O-N 3.22Å; I636-T640 PolarHBondContact O-OG1 3.36Å
637T91Very high90.2Very high65 Ų6549.1 Ų49.140%0.39927%0.267SS..Hα-helixtrans-64.8-43.7-178.3-51.80000110.2Y612 D635 T640 K641Y612-T637 WeakPolarHBondContact OH-CG2 3.32Å; Y612-T637 PolarHBondContact OH-O 2.75Å; D635-T637 VanDerWaalsContact C-N 3.26Å; D635-T637 PolarHBondContact O-N 3.46Å; D635-T637 VanDerWaalsContact OD1-CB 3.29Å; D635-T637 WeakPolarHBondContact OD1-CB 3.36Å; D635-T637 PolarHBondContact OD1-N 3.5Å; T637-T640 WeakPolarHBondContact O-CB 3.28Å; T637-T640 PolarHBondContact O-N 3.31Å; T637-K641 WeakPolarHBondContact O-CG 3.39Å; T637-K641 PolarHBondContact O-N 3.19Å; T637-K641 VanDerWaalsContact O-N 3.12Å
638S92Very high90.6Very high53 Ų5348.5 Ų48.537%0.37126%0.258SS..Hα-helixtrans-65.2-44.3172.8-70.70000112.2D635 T640 K641 I642D635-S638 PolarHBondContact OD1-N 3.04Å; D635-S638 WeakPolarHBondContact OD2-CB 3.42Å; D635-S638 PolarHBondContact OD2-OG 3.18Å; S638-T640 VanDerWaalsContact C-N 3.25Å; S638-T640 PolarHBondContact O-N 3.08Å; S638-K641 PolarHBondContact O-N 2.81Å; S638-K641 VanDerWaalsContact O-N 3.11Å; S638-I642 PolarHBondContact O-N 2.92Å
639L93.3Very high90.9Very high0 Ų049.7 Ų49.70%027%0.269CS..Hα-helixtrans-54.3-43.6173.1-76.2177.9000112.2W619 L634 D635 I636 K641 I642 S643 A674 F677W619-L639 HydrophobicContact CD2-CB 4.4Å; W619-L639 HydrophobicContact CD2-CD1 4.46Å; W619-L639 HydrophobicContact CE3-CD1 4.34Å; L634-L639 HydrophobicContact CD1-CD1 4.11Å; D635-L639 PolarHBondContact O-N 3.44Å; I636-L639 WeakPolarHBondContact O-CB 3.45Å; I636-L639 PolarHBondContact O-N 3.29Å; L639-K641 VanDerWaalsContact C-N 3.31Å; L639-K641 PolarHBondContact O-N 2.87Å; L639-I642 HydrophobicContact CD2-CD1 4.06Å; L639-I642 VanDerWaalsContact O-CG1 3.23Å; L639-I642 WeakPolarHBondContact O-CG1 3.14Å; L639-I642 PolarHBondContact O-N 2.95Å; L639-S643 VanDerWaalsContact O-CB 3.22Å; L639-S643 WeakPolarHBondContact O-CB 3.36Å; L639-S643 PolarHBondContact O-N 3.38Å; L639-S643 PolarHBondContact O-OG 2.86Å; L639-S643 VanDerWaalsContact O-OG 3.08Å; L639-A674 HydrophobicContact CD1-CB 4.25Å; L639-A674 HydrophobicContact CD2-CB 3.82Å; L639-A674 WeakPolarHBondContact CD2-O 3.16Å; L639-A674 HydrophobicContact CG-CB 3.69Å; L639-F677 HydrophobicContact CD1-CD2 3.9Å; L639-F677 HydrophobicContact CD1-CE2 4.33Å; L639-F677 HydrophobicContact CD1-CG 4.46Å; L639-F677 HydrophobicContact CD2-CB 3.92Å; L639-F677 HydrophobicContact CD2-CD2 4.28Å; L639-F677 HydrophobicContact CD2-CG 4.44Å
640T94.7Very high91.4Very high0 Ų046.3 Ų46.30%025%0.252CS..Hα-helixtrans-65.3-35.8-179.6-53.30000112.1Y612 R615 N616 I636 T637 S638 S643Y612-T640 HydrophobicContact CD1-CG2 4.41Å; Y612-T640 HydrophobicContact CD2-CG2 3.55Å; Y612-T640 HydrophobicContact CE1-CG2 4.31Å; Y612-T640 HydrophobicContact CE2-CG2 3.4Å; Y612-T640 VanDerWaalsContact CE2-CG2 3.4Å; Y612-T640 HydrophobicContact CG-CG2 4.05Å; Y612-T640 WeakPolarHBondContact O-CG2 3.34Å; R615-T640 HydrophobicContact CB-CG2 3.73Å; R615-T640 PolarHBondContact NE-O 3.09Å; R615-T640 PolarHBondContact NH2-O 3.48Å; N616-T640 WeakPolarHBondContact CA-OG1 3.47Å; N616-T640 HydrophobicContact CB-CG2 3.98Å; N616-T640 PolarHBondContact ND2-OG1 2.87Å; I636-T640 WeakPolarHBondContact O-CB 3.48Å; I636-T640 PolarHBondContact O-N 3.22Å; I636-T640 PolarHBondContact O-OG1 3.36Å; T637-T640 WeakPolarHBondContact O-CB 3.28Å; T637-T640 PolarHBondContact O-N 3.31Å; S638-T640 VanDerWaalsContact C-N 3.25Å; S638-T640 PolarHBondContact O-N 3.08Å; T640-S643 PolarHBondContact O-OG 3.28Å
641K94.8Very high91.8Very high143 Ų14344.3 Ų44.362%0.62224%0.241SC*.Hα-helixtrans-69.8-47.7176.8-75.3-175.9178.8-178.70111.5Y612 T637 S638 L639 S643Y612-K641 HydrophobicContact CE2-CB 4.45Å; Y612-K641 HydrophobicContact CE2-CG 3.61Å; T637-K641 WeakPolarHBondContact O-CG 3.39Å; T637-K641 PolarHBondContact O-N 3.19Å; T637-K641 VanDerWaalsContact O-N 3.12Å; S638-K641 PolarHBondContact O-N 2.81Å; S638-K641 VanDerWaalsContact O-N 3.11Å; L639-K641 VanDerWaalsContact C-N 3.31Å; L639-K641 PolarHBondContact O-N 2.87Å; K641-S643 VanDerWaalsContact C-N 3.3Å; K641-S643 PolarHBondContact O-N 3.42Å
642I94.3Very high92.3Very high89 Ų8943.3 Ų43.346%0.45624%0.237SC..Hα-helixtrans-71.4-26.4-17966.4172000112.5S638 L639 D644 I678S638-I642 PolarHBondContact O-N 2.92Å; L639-I642 HydrophobicContact CD2-CD1 4.06Å; L639-I642 VanDerWaalsContact O-CG1 3.23Å; L639-I642 WeakPolarHBondContact O-CG1 3.14Å; L639-I642 PolarHBondContact O-N 2.95Å; I642-D644 PolarHBondContact O-N 3.32Å; I642-D644 VanDerWaalsContact O-N 3.16Å; I642-I678 HydrophobicContact CD1-CD1 4.25Å; I642-I678 HydrophobicContact CD1-CG1 3.76Å
643S94.9Very high93Very high0 Ų041.5 Ų41.50%023%0.225CC..THydrogen-bonded Turntrans-83.927.6-18076.50000112.9R615 W619 L639 T640 K641 Y646R615-S643 WeakPolarHBondContact CD-O 3.34Å; R615-S643 PolarHBondContact NE-O 3.13Å; W619-S643 PolarHBondContact NE1-OG 3.34Å; W619-S643 VanDerWaalsContact NE1-OG 3.07Å; L639-S643 VanDerWaalsContact O-CB 3.22Å; L639-S643 WeakPolarHBondContact O-CB 3.36Å; L639-S643 PolarHBondContact O-N 3.38Å; L639-S643 PolarHBondContact O-OG 2.86Å; L639-S643 VanDerWaalsContact O-OG 3.08Å; T640-S643 PolarHBondContact O-OG 3.28Å; K641-S643 VanDerWaalsContact C-N 3.3Å; K641-S643 PolarHBondContact O-N 3.42Å; S643-Y646 PolarHBondContact O-N 3.3Å
644D94.2Very high93.6Very high85 Ų8535.6 Ų35.646%0.45520%0.198SC..THydrogen-bonded Turntrans-68.8138.6173.1-162.335.9000110.9R609 R615 I642 Y646R609-D644 IonicContact CZ-OD1 3.16Å; R609-D644 IonicContact NH1-OD1 3.61Å; R609-D644 PolarHBondContact NH1-OD1 2.85Å; R609-D644 IonicContact NH2-OD1 3.05Å; R615-D644 IonicContact CZ-OD1 2.73Å; R615-D644 VanDerWaalsContact CZ-OD1 3.24Å; R615-D644 IonicContact NH1-OD1 3.05Å; R615-D644 PolarHBondContact NH1-OD1 2.69Å; R615-D644 IonicContact NH2-OD1 2.83Å; R615-D644 PolarHBondContact NH2-OD1 3.41Å; I642-D644 PolarHBondContact O-N 3.32Å; I642-D644 VanDerWaalsContact O-N 3.16Å; D644-Y646 VanDerWaalsContact C-N 3.29Å; D644-Y646 PolarHBondContact O-N 2.91Å
645G93.2Very high94Very high7 Ų735.2 Ų35.27%0.07220%0.196CC..THydrogen-bonded Turntrans85.6-16-172.400000115.2V687G645-V687 WeakPolarHBondContact O-CB 3.44Å; G645-V687 PolarHBondContact O-N 3.18Å
646Y95.5Very high94.2Very high28 Ų2834.4 Ų34.411%0.1120%0.195CC..  trans-81.1146.4179.5-69.1-91.4000113.1P610 S643 D644 Q650 L681 V684 P686P610-Y646 WeakPolarHBondContact CG-O 3.49Å; S643-Y646 PolarHBondContact O-N 3.3Å; D644-Y646 VanDerWaalsContact C-N 3.29Å; D644-Y646 PolarHBondContact O-N 2.91Å; Y646-Q650 HydrophobicContact CD1-CB 4.14Å; Y646-L681 HydrophobicContact CD1-CD2 3.88Å; Y646-L681 HydrophobicContact CE1-CB 4.23Å; Y646-L681 HydrophobicContact CE1-CD2 3.97Å; Y646-L681 WeakPolarHBondContact CE1-O 3.34Å; Y646-L681 HydrophobicContact CG-CD2 4.17Å; Y646-L681 PolarHBondContact OH-O 2.9Å; Y646-V684 HydrophobicContact CE1-CB 4.47Å; Y646-V684 WeakPolarHBondContact CE1-O 3.31Å; Y646-P686 HydrophobicContact CD2-CB 4.27Å; Y646-P686 HydrophobicContact CE1-CB 4.38Å; Y646-P686 HydrophobicContact CE2-CB 4.15Å; Y646-P686 HydrophobicContact CG-CB 4.48Å
647T95.2Very high94.4Very high0 Ų037.7 Ų37.70%021%0.211CC..  trans-89.8165.2176.669.80000112.6P482 H483 T485 G649 Q650 I651 V687P482-T647 HydrophobicContact CB-CG2 4.14Å; H483-T647 WeakPolarHBondContact O-CG2 3.47Å; H483-T647 PolarHBondContact O-OG1 3.09Å; T485-T647 HydrophobicContact CG2-CG2 3.97Å; T647-G649 VanDerWaalsContact C-N 3.29Å; T647-G649 PolarHBondContact O-N 3.1Å; T647-Q650 PolarHBondContact O-N 3.09Å; T647-Q650 VanDerWaalsContact OG1-CG 3.32Å; T647-Q650 WeakPolarHBondContact OG1-CG 3.5Å; T647-Q650 PolarHBondContact OG1-OE1 3.36Å; T647-I651 WeakPolarHBondContact O-CG1 3.24Å; T647-I651 PolarHBondContact O-N 3.13Å; T647-V687 HydrophobicContact CG2-CG2 3.56Å
648S93.9Very high94.6Very high22 Ų2235.4 Ų35.415%0.15420%0.197CC..Hα-helixtrans-59.3-38.8179.750.10000112.8G484 I651 A652G484-S648 PolarHBondContact O-OG 3.46Å; G484-S648 VanDerWaalsContact O-OG 3.14Å; S648-I651 PolarHBondContact O-N 3.21Å; S648-A652 WeakPolarHBondContact O-CB 3.32Å; S648-A652 PolarHBondContact O-N 2.98Å
649G94.2Very high94.7Very high31 Ų3133.3 Ų33.332%0.3218%0.181SC..Hα-helixtrans-66.9-37.317600000113.2G484 T647 A652 Q653G484-G649 WeakPolarHBondContact O-CA 3.37Å; G484-G649 PolarHBondContact O-N 3Å; T647-G649 VanDerWaalsContact C-N 3.29Å; T647-G649 PolarHBondContact O-N 3.1Å; G649-A652 PolarHBondContact O-N 3.35Å; G649-Q653 WeakPolarHBondContact O-CB 3.45Å; G649-Q653 PolarHBondContact O-N 3.37Å
650Q95.6Very high94.8Very high30 Ų3036.4 Ų36.414%0.1420%0.2CC..Hα-helixtrans-69.6-39.6176.4-64.5172.8-35.600111.5Y646 T647 A652 Q653 A654 V684 D685Y646-Q650 HydrophobicContact CD1-CB 4.14Å; T647-Q650 PolarHBondContact O-N 3.09Å; T647-Q650 VanDerWaalsContact OG1-CG 3.32Å; T647-Q650 WeakPolarHBondContact OG1-CG 3.5Å; T647-Q650 PolarHBondContact OG1-OE1 3.36Å; Q650-A652 VanDerWaalsContact C-N 3.35Å; Q650-Q653 PolarHBondContact O-N 2.76Å; Q650-A654 PolarHBondContact O-N 2.75Å; Q650-V684 HydrophobicContact CB-CG1 4.23Å; Q650-V684 HydrophobicContact CG-CG1 3.7Å; Q650-D685 PolarHBondContact NE2-O 3Å
651I95.8Very high94.6Very high0 Ų044.8 Ų44.80%024%0.239CC..Hα-helixtrans-61.6-45.1172.3-66.3168.3000110.2R615 I618 W619 T647 S648 Q653 A654 C655R615-I651 HydrophobicContact CG-CD1 4.14Å; I618-I651 HydrophobicContact CG2-CB 4.17Å; I618-I651 HydrophobicContact CG2-CD1 4.13Å; I618-I651 HydrophobicContact CG2-CG2 3.88Å; W619-I651 HydrophobicContact CD2-CG2 3.58Å; W619-I651 HydrophobicContact CE3-CG2 3.69Å; W619-I651 HydrophobicContact CG-CG2 4.16Å; W619-I651 HydrophobicContact CH2-CG2 3.96Å; W619-I651 HydrophobicContact CZ2-CB 4.43Å; W619-I651 HydrophobicContact CZ2-CG1 4.09Å; W619-I651 HydrophobicContact CZ2-CG2 3.84Å; W619-I651 HydrophobicContact CZ3-CG2 3.89Å; T647-I651 WeakPolarHBondContact O-CG1 3.24Å; T647-I651 PolarHBondContact O-N 3.13Å; S648-I651 PolarHBondContact O-N 3.21Å; I651-Q653 VanDerWaalsContact C-N 3.34Å; I651-Q653 PolarHBondContact O-N 3.42Å; I651-A654 WeakPolarHBondContact O-CB 3.41Å; I651-A654 PolarHBondContact O-N 2.85Å; I651-C655 PolarHBondContact O-N 3.4Å; I651-C655 PolarHBondContact O-SG 2.9Å; I651-C655 VanDerWaalsContact O-SG 3.41Å
652A94.2Very high94.5Very high21 Ų2147.1 Ų47.117%0.17424%0.244CC..Hα-helixtrans-61.5-41.5176.300000112.2Q622 S648 G649 Q650 A654 C655 S656Q622-A652 HydrophobicContact CG-CB 4.21Å; S648-A652 WeakPolarHBondContact O-CB 3.32Å; S648-A652 PolarHBondContact O-N 2.98Å; G649-A652 PolarHBondContact O-N 3.35Å; Q650-A652 VanDerWaalsContact C-N 3.35Å; A652-A654 PolarHBondContact O-N 3.3Å; A652-C655 WeakPolarHBondContact O-CB 3.41Å; A652-C655 PolarHBondContact O-N 2.83Å; A652-S656 PolarHBondContact O-N 3.14Å
653Q95.2Very high94.4Very high84 Ų8443.8 Ų43.839%0.39323%0.226SC..Hα-helixtrans-60.2-45.9174.6-179.6-179.3-5.400111.3G649 Q650 I651 C655 S656 Q657G649-Q653 WeakPolarHBondContact O-CB 3.45Å; G649-Q653 PolarHBondContact O-N 3.37Å; Q650-Q653 PolarHBondContact O-N 2.76Å; I651-Q653 VanDerWaalsContact C-N 3.34Å; I651-Q653 PolarHBondContact O-N 3.42Å; Q653-C655 VanDerWaalsContact C-N 3.32Å; Q653-C655 PolarHBondContact O-N 3.07Å; Q653-S656 PolarHBondContact O-N 3.23Å; Q653-S656 PolarHBondContact O-OG 2.84Å; Q653-Q657 WeakPolarHBondContact O-CG 3.15Å; Q653-Q657 PolarHBondContact O-N 3.09Å
654A95.7Very high94.3Very high2 Ų247 Ų472%0.01724%0.242CC..Hα-helixtrans-59.1-44.3174.900000111.1W619 Q650 I651 A652 S656 Q657 V658 P680 L681W619-A654 HydrophobicContact CH2-CB 4.18Å; Q650-A654 PolarHBondContact O-N 2.75Å; I651-A654 WeakPolarHBondContact O-CB 3.41Å; I651-A654 PolarHBondContact O-N 2.85Å; A652-A654 PolarHBondContact O-N 3.3Å; A654-S656 PolarHBondContact O-N 3.39Å; A654-Q657 PolarHBondContact O-N 3.47Å; A654-V658 WeakPolarHBondContact O-CG2 3.47Å; A654-V658 PolarHBondContact O-N 2.94Å; A654-V658 VanDerWaalsContact O-N 3.13Å; A654-P680 HydrophobicContact CB-CB 3.97Å; A654-L681 HydrophobicContact CB-CD2 3.88Å; A654-L681 HydrophobicContact CB-CG 4.1Å
655C95.4Very high94.1Very high0 Ų046.5 Ų46.50%025%0.25CS..Hα-helixtrans-59.3-44.9174.1-69.50000112.6W619 Q622 I651 A652 Q653 Q657 V658 I659W619-C655 VanDerWaalsContact CZ3-SG 3.56Å; Q622-C655 HydrophobicContact CB-CB 4.3Å; I651-C655 PolarHBondContact O-N 3.4Å; I651-C655 PolarHBondContact O-SG 2.9Å; I651-C655 VanDerWaalsContact O-SG 3.41Å; A652-C655 WeakPolarHBondContact O-CB 3.41Å; A652-C655 PolarHBondContact O-N 2.83Å; Q653-C655 VanDerWaalsContact C-N 3.32Å; Q653-C655 PolarHBondContact O-N 3.07Å; C655-Q657 VanDerWaalsContact C-N 3.28Å; C655-Q657 PolarHBondContact O-N 3.15Å; C655-V658 PolarHBondContact O-N 3.39Å; C655-I659 HydrophobicContact CB-CD1 4.37Å; C655-I659 WeakPolarHBondContact O-CB 3.42Å; C655-I659 WeakPolarHBondContact O-CG1 3.38Å; C655-I659 PolarHBondContact O-N 3.41Å
656S94.8Very high94.1Very high54 Ų5449.8 Ų49.838%0.37826%0.263SS..Hα-helixtrans-64.5-31.9179.675.50000113.2A652 Q653 A654A652-S656 PolarHBondContact O-N 3.14Å; Q653-S656 PolarHBondContact O-N 3.23Å; Q653-S656 PolarHBondContact O-OG 2.84Å; A654-S656 PolarHBondContact O-N 3.39Å
657Q95.1Very high93.7Very high78 Ų7849.2 Ų49.236%0.36426%0.262SS..Hα-helixtrans-75.6-36.3179.3-72.5-178.516.700112Q653 A654 C655 P680Q653-Q657 WeakPolarHBondContact O-CG 3.15Å; Q653-Q657 PolarHBondContact O-N 3.09Å; A654-Q657 PolarHBondContact O-N 3.47Å; C655-Q657 VanDerWaalsContact C-N 3.28Å; C655-Q657 PolarHBondContact O-N 3.15Å; Q657-P680 HydrophobicContact CB-CB 4.33Å; Q657-P680 HydrophobicContact CB-CG 4.25Å
658V95.1Very high93.2Very high17 Ų1754.2 Ų54.210%0.10330%0.297CS..Hα-helixtrans-79.7-48.6179178.70000111.4A654 C655 T660 R663 L672 E676 F677 P680A654-V658 WeakPolarHBondContact O-CG2 3.47Å; A654-V658 PolarHBondContact O-N 2.94Å; A654-V658 VanDerWaalsContact O-N 3.13Å; C655-V658 PolarHBondContact O-N 3.39Å; V658-T660 PolarHBondContact O-N 2.86Å; V658-R663 VanDerWaalsContact O-CB 3.32Å; V658-R663 WeakPolarHBondContact O-CB 3.38Å; V658-R663 WeakPolarHBondContact O-CG 3.41Å; V658-L672 HydrophobicContact CG1-CD2 4.08Å; V658-E676 HydrophobicContact CG1-CB 3.94Å; V658-E676 VanDerWaalsContact CG2-O 3.24Å; V658-E676 WeakPolarHBondContact CG2-O 3.47Å; V658-F677 HydrophobicContact CB-CD1 3.92Å; V658-F677 HydrophobicContact CB-CE1 3.69Å; V658-F677 HydrophobicContact CB-CZ 4.29Å; V658-F677 HydrophobicContact CG1-CD1 4.27Å; V658-F677 HydrophobicContact CG1-CE1 3.87Å; V658-F677 HydrophobicContact CG1-CE2 4.4Å; V658-F677 HydrophobicContact CG1-CZ 3.95Å; V658-F677 HydrophobicContact CG2-CD1 3.55Å; V658-F677 HydrophobicContact CG2-CE1 3.9Å; V658-F677 HydrophobicContact CG2-CG 4.09Å; V658-P680 HydrophobicContact CG2-CG 3.71Å
659I94Very high92.9Very high8 Ų864.4 Ų64.44%0.04133%0.332CS..SBendtrans-89.764-170.2-49.1171.9000109.4I623 H626 C655 I664 L672 F677I623-I659 HydrophobicContact CB-CD1 4.15Å; I623-I659 HydrophobicContact CG1-CD1 4.2Å; I623-I659 HydrophobicContact CG2-CD1 3.91Å; H626-I659 HydrophobicContact CB-CB 4.05Å; H626-I659 HydrophobicContact CB-CD1 4.06Å; H626-I659 HydrophobicContact CB-CG2 4.16Å; H626-I659 WeakPolarHBondContact O-CG2 3.35Å; C655-I659 HydrophobicContact CB-CD1 4.37Å; C655-I659 WeakPolarHBondContact O-CB 3.42Å; C655-I659 WeakPolarHBondContact O-CG1 3.38Å; C655-I659 PolarHBondContact O-N 3.41Å; I659-I664 HydrophobicContact CG2-CD1 4.09Å; I659-I664 HydrophobicContact CG2-CG1 3.71Å; I659-L672 HydrophobicContact CD1-CD1 4.42Å; I659-L672 HydrophobicContact CG1-CD1 4.46Å; I659-F677 HydrophobicContact CD1-CE1 4.33Å; I659-F677 HydrophobicContact CD1-CZ 4.33Å; I659-F677 HydrophobicContact CG1-CE1 4.32Å; I659-F677 HydrophobicContact CG1-CZ 4.37Å
660T94.3Very high92.7Very high65 Ų6569.4 Ų69.440%0.39934%0.342SS..  trans-77.5160.617259.30000110.9V658 R662 R663 I664V658-T660 PolarHBondContact O-N 2.86Å; T660-R662 PolarHBondContact O-N 2.82Å; T660-R662 VanDerWaalsContact O-N 3.14Å; T660-R663 WeakPolarHBondContact O-CA 3.23Å; T660-R663 WeakPolarHBondContact O-CB 3.4Å; T660-R663 PolarHBondContact O-N 2.84Å; T660-R663 PolarHBondContact OG1-N 3.24Å; T660-I664 WeakPolarHBondContact O-CG1 3.44Å; T660-I664 PolarHBondContact O-N 2.97Å
661E92.3Very high92.4Very high176 Ų17669.5 Ų69.582%0.82235%0.345SS*.Hα-helixtrans-50.8-40.9174.9-65-178.3171.800112.6R663 I664 A665E661-R663 VanDerWaalsContact C-N 3.34Å; E661-R663 PolarHBondContact O-N 2.85Å; E661-I664 PolarHBondContact O-N 2.97Å; E661-A665 PolarHBondContact O-N 3.35Å
662R91.7Very high92.3Very high193 Ų19369.6 Ų69.673%0.72835%0.345SS*.Hα-helixtrans-60.7-42.4174.5178.3178.6173.4168.4-2111.8T660 Q666T660-R662 PolarHBondContact O-N 2.82Å; T660-R662 VanDerWaalsContact O-N 3.14Å; R662-Q666 WeakPolarHBondContact O-CG 3.24Å
663R92.6Very high92.1Very high19 Ų1972.7 Ų72.77%0.07236%0.355CS..Hα-helixtrans-69.5-40.3179.6-171.264-178.7102.7-3.5110.9V658 T660 E661 A665 Q666 L667 R670 C671 L672 E676V658-R663 VanDerWaalsContact O-CB 3.32Å; V658-R663 WeakPolarHBondContact O-CB 3.38Å; V658-R663 WeakPolarHBondContact O-CG 3.41Å; T660-R663 WeakPolarHBondContact O-CA 3.23Å; T660-R663 WeakPolarHBondContact O-CB 3.4Å; T660-R663 PolarHBondContact O-N 2.84Å; T660-R663 PolarHBondContact OG1-N 3.24Å; E661-R663 VanDerWaalsContact C-N 3.34Å; E661-R663 PolarHBondContact O-N 2.85Å; R663-A665 VanDerWaalsContact C-N 3.32Å; R663-A665 PolarHBondContact O-N 3.45Å; R663-Q666 WeakPolarHBondContact O-CA 3.48Å; R663-Q666 WeakPolarHBondContact O-CB 3.41Å; R663-Q666 PolarHBondContact O-N 3.32Å; R663-L667 PolarHBondContact O-N 3.42Å; R663-R670 PolarHBondContact NH1-O 3.07Å; R663-R670 PolarHBondContact NH2-O 2.92Å; R663-C671 PolarHBondContact NH2-O 3.15Å; R663-L672 HydrophobicContact CG-CD2 4.23Å; R663-E676 IonicContact CZ-OE1 3.72Å; R663-E676 IonicContact CZ-OE2 3.35Å; R663-E676 IonicContact NE-OE1 3.86Å; R663-E676 IonicContact NE-OE2 2.76Å; R663-E676 PolarHBondContact NE-OE2 2.73Å; R663-E676 VanDerWaalsContact NH2-CD 3.34Å; R663-E676 IonicContact NH2-OE1 2.75Å; R663-E676 PolarHBondContact NH2-OE1 2.9Å; R663-E676 IonicContact NH2-OE2 3.09Å; R663-E676 PolarHBondContact NH2-OE2 2.86Å; R663-E676 VanDerWaalsContact NH2-OE2 3.09Å
664I92Very high92Very high66 Ų6669.6 Ų69.634%0.33834%0.344SS..Hα-helixtrans-55-47.9175.1-64.4170000110.4H626 I659 T660 E661 Q666 L667H626-I664 WeakPolarHBondContact O-CD1 3.42Å; I659-I664 HydrophobicContact CG2-CD1 4.09Å; I659-I664 HydrophobicContact CG2-CG1 3.71Å; T660-I664 WeakPolarHBondContact O-CG1 3.44Å; T660-I664 PolarHBondContact O-N 2.97Å; E661-I664 PolarHBondContact O-N 2.97Å; I664-Q666 PolarHBondContact O-N 3.4Å; I664-Q666 VanDerWaalsContact O-N 3.09Å; I664-L667 HydrophobicContact CB-CD1 4.49Å; I664-L667 HydrophobicContact CG2-CD1 4.48Å; I664-L667 WeakPolarHBondContact O-CB 3.45Å; I664-L667 WeakPolarHBondContact O-CG 3.26Å; I664-L667 PolarHBondContact O-N 2.88Å; I664-L667 VanDerWaalsContact O-N 3.07Å
665A91.2Very high91.8Very high76 Ų7675.8 Ų75.863%0.62837%0.373SS*.Hα-helixtrans-60.2-23177.500000114E661 R663E661-A665 PolarHBondContact O-N 3.35Å; R663-A665 VanDerWaalsContact C-N 3.32Å; R663-A665 PolarHBondContact O-N 3.45Å
666Q91.8Very high91.7Very high75 Ų7577.7 Ų77.735%0.3538%0.381SS..Hα-helixtrans-91.8-12.4179.5-65.5176.4-0.100113.7R662 R663 I664 S668 R669 R670R662-Q666 WeakPolarHBondContact O-CG 3.24Å; R663-Q666 WeakPolarHBondContact O-CA 3.48Å; R663-Q666 WeakPolarHBondContact O-CB 3.41Å; R663-Q666 PolarHBondContact O-N 3.32Å; I664-Q666 PolarHBondContact O-N 3.4Å; I664-Q666 VanDerWaalsContact O-N 3.09Å; Q666-S668 PolarHBondContact O-N 2.92Å; Q666-S668 VanDerWaalsContact O-N 3.15Å; Q666-R669 PolarHBondContact O-N 2.87Å; Q666-R670 PolarHBondContact O-N 3.33Å
667L87.8Confident91.7Very high16 Ų1675.1 Ų75.18%0.08436%0.363CS..THydrogen-bonded Turntrans-58.2-31-175.9-67.1178.2000113.1I629 R663 I664 R669 R670 L672I629-L667 HydrophobicContact CD1-CB 4.49Å; I629-L667 HydrophobicContact CD1-CD1 4.48Å; I629-L667 HydrophobicContact CG1-CD1 4.27Å; R663-L667 PolarHBondContact O-N 3.42Å; I664-L667 HydrophobicContact CB-CD1 4.49Å; I664-L667 HydrophobicContact CG2-CD1 4.48Å; I664-L667 WeakPolarHBondContact O-CB 3.45Å; I664-L667 WeakPolarHBondContact O-CG 3.26Å; I664-L667 PolarHBondContact O-N 2.88Å; I664-L667 VanDerWaalsContact O-N 3.07Å; L667-R669 PolarHBondContact O-N 3.46Å; L667-R670 WeakPolarHBondContact CA-O 3.34Å; L667-L672 HydrophobicContact CD2-CD1 3.94Å; L667-L672 HydrophobicContact CD2-CD2 4.02Å; L667-L672 HydrophobicContact CD2-CG 3.5Å
668S85Confident91.7Very high105 Ų10575.4 Ų75.473%0.73437%0.366SS*.THydrogen-bonded Turntrans-64.6-24.2176.8590000114.1Q666Q666-S668 PolarHBondContact O-N 2.92Å; Q666-S668 VanDerWaalsContact O-N 3.15Å
669R87.9Confident91.6Very high236 Ų23678.8 Ų78.889%0.89139%0.387SS*.THydrogen-bonded Turntrans-109.3-31.6-178-61.3-178.2-176.6172.42.2112.9Q666 L667Q666-R669 PolarHBondContact O-N 2.87Å; L667-R669 PolarHBondContact O-N 3.46Å
670R89.7Confident91.6Very high137 Ų13779 Ų7952%0.51739%0.39SS..SBendtrans-139.8108.2-177.8-178.9-176.1166.7173.3-1.9108.5R663 Q666 L667 E676R663-R670 PolarHBondContact NH1-O 3.07Å; R663-R670 PolarHBondContact NH2-O 2.92Å; Q666-R670 PolarHBondContact O-N 3.33Å; L667-R670 WeakPolarHBondContact CA-O 3.34Å; R670-E676 IonicContact CZ-OE1 3.9Å; R670-E676 IonicContact NE-OE1 3.74Å; R670-E676 IonicContact NH2-OE1 3.42Å; R670-E676 PolarHBondContact NH2-OE1 3.26Å
671C89.3Confident91.6Very high32 Ų3276.3 Ų76.322%0.21637%0.373CS..  trans-58.6162.4175.2-52.70000111.5T631 E633 R663T631-C671 HydrophobicContact CG2-CB 4.36Å; E633-C671 HydrophobicContact CB-CB 4.33Å; E633-C671 WeakPolarHBondContact OE2-CB 3.44Å; E633-C671 PolarHBondContact OE2-SG 3.16Å; E633-C671 VanDerWaalsContact OE2-SG 3.37Å; R663-C671 PolarHBondContact NH2-O 3.15Å
672L92.2Very high91.7Very high1 Ų172 Ų721%0.00536%0.362CS..  trans-70.6140.2171.5-73.9162.4000109.8I623 L634 V658 I659 R663 L667 F677I623-L672 HydrophobicContact CG2-CD1 4.1Å; L634-L672 HydrophobicContact CD1-CB 4.17Å; L634-L672 HydrophobicContact CD2-CB 4.06Å; V658-L672 HydrophobicContact CG1-CD2 4.08Å; I659-L672 HydrophobicContact CD1-CD1 4.42Å; I659-L672 HydrophobicContact CG1-CD1 4.46Å; R663-L672 HydrophobicContact CG-CD2 4.23Å; L667-L672 HydrophobicContact CD2-CD1 3.94Å; L667-L672 HydrophobicContact CD2-CD2 4.02Å; L667-L672 HydrophobicContact CD2-CG 3.5Å; L672-F677 HydrophobicContact CD2-CZ 4.33Å
673K91.6Very high91.7Very high86 Ų8669.2 Ų69.237%0.37436%0.357SS..  trans-116150.8171.8-64.8-170.7174.9-1670110.3E675 E676K673-E675 PolarHBondContact O-N 3.38Å; K673-E676 HydrophobicContact CB-CG 4.46Å; K673-E676 PolarHBondContact O-N 2.74Å
674A91.7Very high91.7Very high19 Ų1969.5 Ų69.516%0.15736%0.361CS..THydrogen-bonded Turntrans-57.4-38.5177.300000112.4L639 E676 F677L639-A674 HydrophobicContact CD1-CB 4.25Å; L639-A674 HydrophobicContact CD2-CB 3.82Å; L639-A674 WeakPolarHBondContact CD2-O 3.16Å; L639-A674 HydrophobicContact CG-CB 3.69Å; A674-E676 PolarHBondContact O-N 3.48Å; A674-E676 VanDerWaalsContact O-N 3.08Å; A674-F677 PolarHBondContact O-N 2.85Å; A674-F677 VanDerWaalsContact O-N 3.09Å
675E92.5Very high91.7Very high133 Ų13372.2 Ų72.262%0.62138%0.376SS*.Hα-helixtrans-54.4-30.8179.4-63.2164.7-159.700113.6K673 F677 I678K673-E675 PolarHBondContact O-N 3.38Å; E675-F677 PolarHBondContact O-N 2.69Å; E675-I678 PolarHBondContact O-N 2.94Å
676E93.4Very high91.8Very high40 Ų4070.3 Ų70.319%0.18736%0.357CS..Hα-helixtrans-67.4-24.3-177.2-63-179.7-149.400112.6V658 R663 R670 K673 A674 P680V658-E676 HydrophobicContact CG1-CB 3.94Å; V658-E676 VanDerWaalsContact CG2-O 3.24Å; V658-E676 WeakPolarHBondContact CG2-O 3.47Å; R663-E676 IonicContact CZ-OE1 3.72Å; R663-E676 IonicContact CZ-OE2 3.35Å; R663-E676 IonicContact NE-OE1 3.86Å; R663-E676 IonicContact NE-OE2 2.76Å; R663-E676 PolarHBondContact NE-OE2 2.73Å; R663-E676 VanDerWaalsContact NH2-CD 3.34Å; R663-E676 IonicContact NH2-OE1 2.75Å; R663-E676 PolarHBondContact NH2-OE1 2.9Å; R663-E676 IonicContact NH2-OE2 3.09Å; R663-E676 PolarHBondContact NH2-OE2 2.86Å; R663-E676 VanDerWaalsContact NH2-OE2 3.09Å; R670-E676 IonicContact CZ-OE1 3.9Å; R670-E676 IonicContact NE-OE1 3.74Å; R670-E676 IonicContact NH2-OE1 3.42Å; R670-E676 PolarHBondContact NH2-OE1 3.26Å; K673-E676 HydrophobicContact CB-CG 4.46Å; K673-E676 PolarHBondContact O-N 2.74Å; A674-E676 PolarHBondContact O-N 3.48Å; A674-E676 VanDerWaalsContact O-N 3.08Å; E676-P680 WeakPolarHBondContact O-CD 3.36Å
677F95.4Very high91.9Very high0 Ų067.3 Ų67.30%034%0.344CS..Hα-helixtrans-89.4-13.9179.4-59-87.7000113.2W619 I623 L634 L639 V658 I659 L672 A674 E675 P680 L681W619-F677 HydrophobicContact CH2-CB 4.01Å; W619-F677 HydrophobicContact CH2-CD1 4.14Å; W619-F677 HydrophobicContact CH2-CG 4.25Å; W619-F677 HydrophobicContact CZ3-CB 4.23Å; W619-F677 AromaticContact CZ3-CD1 3.61Å; W619-F677 HydrophobicContact CZ3-CD1 3.61Å; W619-F677 HydrophobicContact CZ3-CE1 4.14Å; W619-F677 AromaticContact CZ3-CG 3.96Å; W619-F677 HydrophobicContact CZ3-CG 3.96Å; I623-F677 HydrophobicContact CD1-CZ 4.34Å; I623-F677 HydrophobicContact CG1-CE1 4.48Å; I623-F677 HydrophobicContact CG1-CZ 4.22Å; L634-F677 HydrophobicContact CD1-CE2 4.05Å; L639-F677 HydrophobicContact CD1-CD2 3.9Å; L639-F677 HydrophobicContact CD1-CE2 4.33Å; L639-F677 HydrophobicContact CD1-CG 4.46Å; L639-F677 HydrophobicContact CD2-CB 3.92Å; L639-F677 HydrophobicContact CD2-CD2 4.28Å; L639-F677 HydrophobicContact CD2-CG 4.44Å; V658-F677 HydrophobicContact CB-CD1 3.92Å; V658-F677 HydrophobicContact CB-CE1 3.69Å; V658-F677 HydrophobicContact CB-CZ 4.29Å; V658-F677 HydrophobicContact CG1-CD1 4.27Å; V658-F677 HydrophobicContact CG1-CE1 3.87Å; V658-F677 HydrophobicContact CG1-CE2 4.4Å; V658-F677 HydrophobicContact CG1-CZ 3.95Å; V658-F677 HydrophobicContact CG2-CD1 3.55Å; V658-F677 HydrophobicContact CG2-CE1 3.9Å; V658-F677 HydrophobicContact CG2-CG 4.09Å; I659-F677 HydrophobicContact CD1-CE1 4.33Å; I659-F677 HydrophobicContact CD1-CZ 4.33Å; I659-F677 HydrophobicContact CG1-CE1 4.32Å; I659-F677 HydrophobicContact CG1-CZ 4.37Å; L672-F677 HydrophobicContact CD2-CZ 4.33Å; A674-F677 PolarHBondContact O-N 2.85Å; A674-F677 VanDerWaalsContact O-N 3.09Å; E675-F677 PolarHBondContact O-N 2.69Å; F677-P680 WeakPolarHBondContact O-CD 3.24Å; F677-L681 WeakPolarHBondContact O-CD1 3.24Å; F677-L681 VanDerWaalsContact O-CG 3.25Å; F677-L681 WeakPolarHBondContact O-CG 3.28Å; F677-L681 PolarHBondContact O-N 2.94Å; F677-L681 VanDerWaalsContact O-N 3.16Å
678I93.5Very high92.2Very high83 Ų8372.2 Ų72.243%0.42637%0.365SS..Hα-helixtrans-64.6-45.9-177.9-59.1-179000110.6I642 E675 L681 S682I642-I678 HydrophobicContact CD1-CD1 4.25Å; I642-I678 HydrophobicContact CD1-CG1 3.76Å; E675-I678 PolarHBondContact O-N 2.94Å; I678-L681 PolarHBondContact O-N 3.42Å; I678-S682 PolarHBondContact O-N 3.47Å
679T93.7Very high92.6Very high89 Ų8970.9 Ų70.955%0.54636%0.36SS..Hα-helixtrans-61.3-50.1-178.1-52.60000112.1L681 S682T679-L681 VanDerWaalsContact C-N 3.35Å; T679-L681 PolarHBondContact O-N 3.31Å; T679-S682 PolarHBondContact O-N 2.92Å; T679-S682 PolarHBondContact O-OG 3.13Å
680P94.6Very high92.9Very high13 Ų1366.4 Ų66.48%0.08435%0.354CS..Hα-helixtrans-56.5-42.4172.6-31.139.1000114.4A654 Q657 V658 E676 F677 S682 Q683A654-P680 HydrophobicContact CB-CB 3.97Å; Q657-P680 HydrophobicContact CB-CB 4.33Å; Q657-P680 HydrophobicContact CB-CG 4.25Å; V658-P680 HydrophobicContact CG2-CG 3.71Å; E676-P680 WeakPolarHBondContact O-CD 3.36Å; F677-P680 WeakPolarHBondContact O-CD 3.24Å; P680-S682 VanDerWaalsContact C-N 3.31Å; P680-S682 PolarHBondContact O-N 2.9Å; P680-Q683 PolarHBondContact O-N 3.41Å
681L94.2Very high93Very high8 Ų863 Ų634%0.04234%0.344CS..Hα-helixtrans-63.4-38.8178.8-72.2169.4000111.8W619 Y646 A654 F677 I678 T679 Q683 V684W619-L681 HydrophobicContact CH2-CD1 4.01Å; W619-L681 HydrophobicContact CH2-CD2 4.3Å; W619-L681 HydrophobicContact CH2-CG 4.38Å; W619-L681 HydrophobicContact CZ2-CD1 3.81Å; W619-L681 HydrophobicContact CZ2-CD2 4.21Å; W619-L681 HydrophobicContact CZ2-CG 4.47Å; Y646-L681 HydrophobicContact CD1-CD2 3.88Å; Y646-L681 HydrophobicContact CE1-CB 4.23Å; Y646-L681 HydrophobicContact CE1-CD2 3.97Å; Y646-L681 WeakPolarHBondContact CE1-O 3.34Å; Y646-L681 HydrophobicContact CG-CD2 4.17Å; Y646-L681 PolarHBondContact OH-O 2.9Å; A654-L681 HydrophobicContact CB-CD2 3.88Å; A654-L681 HydrophobicContact CB-CG 4.1Å; F677-L681 WeakPolarHBondContact O-CD1 3.24Å; F677-L681 VanDerWaalsContact O-CG 3.25Å; F677-L681 WeakPolarHBondContact O-CG 3.28Å; F677-L681 PolarHBondContact O-N 2.94Å; F677-L681 VanDerWaalsContact O-N 3.16Å; I678-L681 PolarHBondContact O-N 3.42Å; T679-L681 VanDerWaalsContact C-N 3.35Å; T679-L681 PolarHBondContact O-N 3.31Å; L681-Q683 PolarHBondContact O-N 3.23Å; L681-V684 PolarHBondContact O-N 3.5Å; L681-V684 VanDerWaalsContact O-N 3.15Å; L681-V684 VanDerWaalsContact O-O 3.11Å
682S93.1Very high93.1Very high86 Ų8662.7 Ų62.760%0.60134%0.339SS*.Hα-helixtrans-66.1-16179.371.80000114.5I678 T679 P680 V684I678-S682 PolarHBondContact O-N 3.47Å; T679-S682 PolarHBondContact O-N 2.92Å; T679-S682 PolarHBondContact O-OG 3.13Å; P680-S682 VanDerWaalsContact C-N 3.31Å; P680-S682 PolarHBondContact O-N 2.9Å; S682-V684 VanDerWaalsContact C-N 3.32Å
683Q93.3Very high93.2Very high133 Ų13366.3 Ų66.362%0.62136%0.356SS*.THydrogen-bonded Turntrans-85.7-6.8177.7-66.1178.1-5.400113.2P680 L681P680-Q683 PolarHBondContact O-N 3.41Å; L681-Q683 PolarHBondContact O-N 3.23Å
684V91.9Very high93.3Very high25 Ų2563.8 Ų63.815%0.15235%0.351CS..SBendtrans-122.1129.5-174-175.40000109.1Y646 Q650 L681 S682Y646-V684 HydrophobicContact CE1-CB 4.47Å; Y646-V684 WeakPolarHBondContact CE1-O 3.31Å; Q650-V684 HydrophobicContact CB-CG1 4.23Å; Q650-V684 HydrophobicContact CG-CG1 3.7Å; L681-V684 PolarHBondContact O-N 3.5Å; L681-V684 VanDerWaalsContact O-N 3.15Å; L681-V684 VanDerWaalsContact O-O 3.11Å; S682-V684 VanDerWaalsContact C-N 3.32Å
685D92.1Very high93.5Very high124 Ų12463.2 Ų63.266%0.66335%0.345SS*.  trans-69127178.9-67-33.6000110.9Q650 F688Q650-D685 PolarHBondContact NE2-O 3Å; D685-F688 HydrophobicContact CB-CE2 4.34Å
686P94Very high93.4Very high35 Ų3559.5 Ų59.523%0.22733%0.327CS..  trans-72.2164.5173.331.7-34.8000110.9Y646 F688Y646-P686 HydrophobicContact CD2-CB 4.27Å; Y646-P686 HydrophobicContact CE1-CB 4.38Å; Y646-P686 HydrophobicContact CE2-CB 4.15Å; Y646-P686 HydrophobicContact CG-CB 4.48Å; P686-F688 HydrophobicContact CG-CE1 4.13Å; P686-F688 HydrophobicContact CG-CZ 4.23Å; P686-F688 WeakPolarHBondContact O-CD2 3.46Å; P686-F688 WeakPolarHBondContact O-CE2 3.38Å; P686-F688 PolarHBondContact O-N 2.96Å
687V93.4Very high93.4Very high12 Ų1260.1 Ų60.17%0.07333%0.333CS..  trans-72.3110.6169.6-1770000108.2P482 G645 T647 E691P482-V687 HydrophobicContact CB-CG1 4.35Å; P482-V687 HydrophobicContact CB-CG2 3.68Å; P482-V687 HydrophobicContact CG-CG1 3.99Å; P482-V687 HydrophobicContact CG-CG2 4.1Å; G645-V687 WeakPolarHBondContact O-CB 3.44Å; G645-V687 PolarHBondContact O-N 3.18Å; T647-V687 HydrophobicContact CG2-CG2 3.56Å; V687-E691 HydrophobicContact CG1-CB 4.24Å
688F94Very high93.4Very high120 Ų12060.3 Ų60.353%0.52633%0.334SS..  trans-73.9156.5-179.7-62.3-78.3000112.1D685 P686 D690 E691 E692D685-F688 HydrophobicContact CB-CE2 4.34Å; P686-F688 HydrophobicContact CG-CE1 4.13Å; P686-F688 HydrophobicContact CG-CZ 4.23Å; P686-F688 WeakPolarHBondContact O-CD2 3.46Å; P686-F688 WeakPolarHBondContact O-CE2 3.38Å; P686-F688 PolarHBondContact O-N 2.96Å; F688-D690 PolarHBondContact O-N 2.74Å; F688-E691 WeakPolarHBondContact O-CB 3.41Å; F688-E691 PolarHBondContact O-N 2.95Å; F688-E691 VanDerWaalsContact O-N 3.09Å; F688-E692 PolarHBondContact O-N 2.84Å; F688-E692 VanDerWaalsContact O-N 3.12Å
689A92.1Very high93.4Very high76 Ų7658.2 Ų58.263%0.62832%0.321SS*.Hα-helixtrans-58-36.3-179.100000113E691 E692 E693A689-E691 VanDerWaalsContact C-N 3.33Å; A689-E691 PolarHBondContact O-N 3.45Å; A689-E692 WeakPolarHBondContact O-CB 3.14Å; A689-E692 PolarHBondContact O-N 2.9Å; A689-E693 PolarHBondContact O-N 3.27Å
690D94.2Very high93.3Very high143 Ų14361 Ų6177%0.76532%0.321SS*.Hα-helixtrans-65.1-37.8178.1-61.7-18.8000112F688 A694F688-D690 PolarHBondContact O-N 2.74Å; D690-A694 WeakPolarHBondContact O-CB 3.39Å; D690-A694 PolarHBondContact O-N 3.36Å
691E93.3Very high93.2Very high65 Ų6565.3 Ų65.330%0.30434%0.339SS..Hα-helixtrans-67.3-43.1175.6-158.7-164.5148.800110.2V687 F688 A689 E693 A694 Y695V687-E691 HydrophobicContact CG1-CB 4.24Å; F688-E691 WeakPolarHBondContact O-CB 3.41Å; F688-E691 PolarHBondContact O-N 2.95Å; F688-E691 VanDerWaalsContact O-N 3.09Å; A689-E691 VanDerWaalsContact C-N 3.33Å; A689-E691 PolarHBondContact O-N 3.45Å; E691-E693 PolarHBondContact O-N 2.89Å; E691-A694 WeakPolarHBondContact O-CB 3.3Å; E691-A694 PolarHBondContact O-N 3Å; E691-A694 VanDerWaalsContact O-N 3.14Å; E691-Y695 HydrophobicContact CG-CE2 3.73Å; E691-Y695 WeakPolarHBondContact O-CD2 3.49Å; E691-Y695 PolarHBondContact O-N 3.05Å; E691-Y695 VanDerWaalsContact O-N 3.14Å; E691-Y695 WeakPolarHBondContact OE1-CE2 3.32Å; E691-Y695 PolarHBondContact OE1-OH 3.39Å
692E91.4Very high93.2Very high26 Ų2665 Ų6512%0.12134%0.338CS..Hα-helixtrans-59.7-44.6176.4-161.3-170.8123.300112.1Q444 R609 F688 A689 A694 Y695 K696Q444-E692 PolarHBondContact NE2-OE1 3.42Å; Q444-E692 PolarHBondContact OE1-OE1 2.87Å; R609-E692 IonicContact CZ-OE2 2.7Å; R609-E692 IonicContact NE-OE2 3.64Å; R609-E692 PolarHBondContact NE-OE2 3.23Å; R609-E692 IonicContact NH2-OE2 2.59Å; R609-E692 PolarHBondContact NH2-OE2 3.38Å; F688-E692 PolarHBondContact O-N 2.84Å; F688-E692 VanDerWaalsContact O-N 3.12Å; A689-E692 WeakPolarHBondContact O-CB 3.14Å; A689-E692 PolarHBondContact O-N 2.9Å; E692-A694 VanDerWaalsContact C-N 3.32Å; E692-A694 PolarHBondContact O-N 3.3Å; E692-Y695 PolarHBondContact O-N 3.18Å; E692-K696 PolarHBondContact O-N 2.92Å; E692-K696 WeakPolarHBondContact OE1-CE 3.41Å; E692-K696 IonicContact OE1-NZ 3.43Å; E692-K696 PolarHBondContact OE1-NZ 2.87Å
693E93.1Very high93.1Very high76 Ų7664.2 Ų64.236%0.35533%0.33SS..Hα-helixtrans-66.7-34.6175.6-168.557.5-149.400111.6A689 E691 Y695 K696 V697 R700A689-E693 PolarHBondContact O-N 3.27Å; E691-E693 PolarHBondContact O-N 2.89Å; E693-Y695 VanDerWaalsContact C-N 3.31Å; E693-Y695 PolarHBondContact O-N 3.27Å; E693-K696 PolarHBondContact O-N 2.94Å; E693-K696 VanDerWaalsContact O-N 3.16Å; E693-K696 WeakPolarHBondContact OE2-CD 3.44Å; E693-K696 IonicContact OE2-NZ 3.67Å; E693-V697 HydrophobicContact CG-CG2 4.14Å; E693-V697 WeakPolarHBondContact O-CB 3.31Å; E693-V697 VanDerWaalsContact O-CG2 3.29Å; E693-V697 WeakPolarHBondContact O-CG2 3.42Å; E693-V697 PolarHBondContact O-N 3.17Å; E693-R700 IonicContact OE1-NH1 3.71Å; E693-R700 PolarHBondContact OE1-NH1 3.14Å
694A94.9Very high93Very high33 Ų3359.2 Ų59.227%0.27331%0.308SS..Hα-helixtrans-59.3-40.6174.300000112.2F590 D690 E691 E692 W698F590-A694 HydrophobicContact CD1-CB 4.18Å; F590-A694 HydrophobicContact CE1-CB 4.33Å; D690-A694 WeakPolarHBondContact O-CB 3.39Å; D690-A694 PolarHBondContact O-N 3.36Å; E691-A694 WeakPolarHBondContact O-CB 3.3Å; E691-A694 PolarHBondContact O-N 3Å; E691-A694 VanDerWaalsContact O-N 3.14Å; E692-A694 VanDerWaalsContact C-N 3.32Å; E692-A694 PolarHBondContact O-N 3.3Å; A694-W698 VanDerWaalsContact O-CB 3.31Å; A694-W698 WeakPolarHBondContact O-CB 3.35Å; A694-W698 PolarHBondContact O-N 3.23Å
695Y94.4Very high93Very high7 Ų758.6 Ų58.63%0.02731%0.306CS..Hα-helixtrans-64.7-43.5173.3-67.9-74.9000112.3P482 S587 P589 F590 L606 E691 E692 E693 W698 Y699P482-Y695 WeakPolarHBondContact CA-OH 3.46Å; P482-Y695 HydrophobicContact CB-CE2 4.49Å; P482-Y695 HydrophobicContact CG-CD2 4.37Å; P482-Y695 HydrophobicContact CG-CE2 3.72Å; S587-Y695 WeakPolarHBondContact O-CE1 3.48Å; S587-Y695 PolarHBondContact O-OH 3.04Å; P589-Y695 HydrophobicContact CG-CD1 3.84Å; P589-Y695 HydrophobicContact CG-CE1 3.89Å; F590-Y695 HydrophobicContact CE1-CE1 4.14Å; L606-Y695 HydrophobicContact CD1-CD1 4.15Å; L606-Y695 HydrophobicContact CD1-CG 4.31Å; E691-Y695 HydrophobicContact CG-CE2 3.73Å; E691-Y695 WeakPolarHBondContact O-CD2 3.49Å; E691-Y695 PolarHBondContact O-N 3.05Å; E691-Y695 VanDerWaalsContact O-N 3.14Å; E691-Y695 WeakPolarHBondContact OE1-CE2 3.32Å; E691-Y695 PolarHBondContact OE1-OH 3.39Å; E692-Y695 PolarHBondContact O-N 3.18Å; E693-Y695 VanDerWaalsContact C-N 3.31Å; E693-Y695 PolarHBondContact O-N 3.27Å; Y695-W698 PolarHBondContact O-N 2.99Å; Y695-Y699 WeakPolarHBondContact O-CB 3.39Å; Y695-Y699 PolarHBondContact O-N 3.03Å
696K91.9Very high93Very high55 Ų5558.1 Ų58.124%0.23930%0.298CS..Hα-helixtrans-62.5-47.4178.5-68.8170.8-171.9160.80111.4Q444 E692 E693 W698 Y699 R700Q444-K696 VanDerWaalsContact NE2-CE 3.27Å; E692-K696 PolarHBondContact O-N 2.92Å; E692-K696 WeakPolarHBondContact OE1-CE 3.41Å; E692-K696 IonicContact OE1-NZ 3.43Å; E692-K696 PolarHBondContact OE1-NZ 2.87Å; E693-K696 PolarHBondContact O-N 2.94Å; E693-K696 VanDerWaalsContact O-N 3.16Å; E693-K696 WeakPolarHBondContact OE2-CD 3.44Å; E693-K696 IonicContact OE2-NZ 3.67Å; K696-W698 VanDerWaalsContact C-N 3.3Å; K696-W698 PolarHBondContact O-N 2.93Å; K696-Y699 PolarHBondContact O-N 3.36Å; K696-R700 WeakPolarHBondContact O-CG 3.32Å; K696-R700 PolarHBondContact O-N 3.41Å
697V93.9Very high92.9Very high53 Ų5361.5 Ų61.532%0.32131%0.311SS..Hα-helixtrans-60.1-41.2176.3170.10000110.9E693 K701E693-V697 HydrophobicContact CG-CG2 4.14Å; E693-V697 WeakPolarHBondContact O-CB 3.31Å; E693-V697 VanDerWaalsContact O-CG2 3.29Å; E693-V697 WeakPolarHBondContact O-CG2 3.42Å; E693-V697 PolarHBondContact O-N 3.17Å; V697-K701 WeakPolarHBondContact O-CG 3.35Å
698W94.5Very high92.7Very high5 Ų562.8 Ų62.82%0.01932%0.316CS..Hα-helixtrans-64.8-46.1174.6170.682.7000112L478 A480 P589 F590 F597 I604 A694 Y695 K696 R700 K701 T702L478-W698 HydrophobicContact CD2-CH2 3.95Å; L478-W698 HydrophobicContact CD2-CZ2 4.12Å; A480-W698 HydrophobicContact CB-CH2 3.71Å; A480-W698 HydrophobicContact CB-CZ3 3.73Å; P589-W698 HydrophobicContact CB-CD2 3.84Å; P589-W698 HydrophobicContact CB-CE3 4.11Å; P589-W698 HydrophobicContact CB-CG 4.47Å; P589-W698 HydrophobicContact CB-CH2 3.83Å; P589-W698 HydrophobicContact CB-CZ2 3.56Å; P589-W698 HydrophobicContact CB-CZ3 4.1Å; P589-W698 HydrophobicContact CG-CD2 3.91Å; P589-W698 HydrophobicContact CG-CE3 3.88Å; P589-W698 HydrophobicContact CG-CG 4.44Å; P589-W698 HydrophobicContact CG-CH2 4.32Å; P589-W698 HydrophobicContact CG-CZ2 4.38Å; P589-W698 HydrophobicContact CG-CZ3 4.09Å; P589-W698 PolarHBondContact O-NE1 3.31Å; P589-W698 VanDerWaalsContact O-NE1 3.09Å; F590-W698 HydrophobicContact CB-CB 4.31Å; F597-W698 HydrophobicContact CD1-CZ2 4.27Å; F597-W698 HydrophobicContact CE1-CZ2 4.04Å; I604-W698 HydrophobicContact CG2-CH2 3.6Å; I604-W698 HydrophobicContact CG2-CZ3 4.13Å; A694-W698 VanDerWaalsContact O-CB 3.31Å; A694-W698 WeakPolarHBondContact O-CB 3.35Å; A694-W698 PolarHBondContact O-N 3.23Å; Y695-W698 PolarHBondContact O-N 2.99Å; K696-W698 VanDerWaalsContact C-N 3.3Å; K696-W698 PolarHBondContact O-N 2.93Å; W698-R700 VanDerWaalsContact C-N 3.32Å; W698-R700 PolarHBondContact O-N 3.44Å; W698-K701 WeakPolarHBondContact O-CA 3.43Å; W698-K701 WeakPolarHBondContact O-CB 3.42Å; W698-K701 PolarHBondContact O-N 3.05Å; W698-T702 HydrophobicContact CZ2-CG2 4.42Å
699Y93Very high92.4Very high39 Ų3959.3 Ų59.315%0.15331%0.309CS..Hα-helixtrans-61.7-39.7-178.7-167.6-104.8000111.8I604 L606 Y695 K696 K701 T702I604-Y699 HydrophobicContact CG2-CD2 4.46Å; I604-Y699 HydrophobicContact CG2-CE2 4.21Å; L606-Y699 HydrophobicContact CB-CD2 3.95Å; L606-Y699 HydrophobicContact CB-CE2 4.06Å; L606-Y699 HydrophobicContact CD2-CD2 4.39Å; L606-Y699 HydrophobicContact CD2-CG 4.21Å; Y695-Y699 WeakPolarHBondContact O-CB 3.39Å; Y695-Y699 PolarHBondContact O-N 3.03Å; K696-Y699 PolarHBondContact O-N 3.36Å; Y699-K701 PolarHBondContact O-N 2.97Å; Y699-T702 HydrophobicContact CD2-CG2 4.42Å; Y699-T702 WeakPolarHBondContact O-CB 3.44Å; Y699-T702 VanDerWaalsContact O-CG2 3.32Å; Y699-T702 WeakPolarHBondContact O-CG2 3.43Å; Y699-T702 PolarHBondContact O-N 3.44Å; Y699-T702 VanDerWaalsContact O-N 3.09Å; Y699-T702 PolarHBondContact O-OG1 2.89Å
700R91.9Very high92.3Very high146 Ų14660.9 Ų60.955%0.55131%0.306SS*.Hα-helixtrans-58.5-26.7172.4-71.4173.4-177.3147.82113.4E693 K696 W698 G705 K706E693-R700 IonicContact OE1-NH1 3.71Å; E693-R700 PolarHBondContact OE1-NH1 3.14Å; K696-R700 WeakPolarHBondContact O-CG 3.32Å; K696-R700 PolarHBondContact O-N 3.41Å; W698-R700 VanDerWaalsContact C-N 3.32Å; W698-R700 PolarHBondContact O-N 3.44Å; R700-G705 CarbonylContact O-C 3.59Å; R700-K706 PolarHBondContact O-N 3.17Å
701K93.3Very high92Very high104 Ų10455.7 Ų55.745%0.45228%0.283SS..THydrogen-bonded Turntrans-85.5-8.7179.6-65.6169.6-175.8173.10113.7I594 V697 W698 Y699 K706I594-K701 HydrophobicContact CD1-CB 3.73Å; I594-K701 HydrophobicContact CD1-CD 3.84Å; I594-K701 HydrophobicContact CD1-CG 4.42Å; V697-K701 WeakPolarHBondContact O-CG 3.35Å; W698-K701 WeakPolarHBondContact O-CA 3.43Å; W698-K701 WeakPolarHBondContact O-CB 3.42Å; W698-K701 PolarHBondContact O-N 3.05Å; Y699-K701 PolarHBondContact O-N 2.97Å; K701-K706 VanDerWaalsContact O-CE 3.22Å; K701-K706 WeakPolarHBondContact O-CE 3.34Å
702T93.6Very high91.7Very high3 Ų356.2 Ų56.22%0.01829%0.287CS..SBendtrans-65.1163174.567.60000111I604 W698 Y699 L704 G705 K706I604-T702 HydrophobicContact CD1-CG2 3.88Å; W698-T702 HydrophobicContact CZ2-CG2 4.42Å; Y699-T702 HydrophobicContact CD2-CG2 4.42Å; Y699-T702 WeakPolarHBondContact O-CB 3.44Å; Y699-T702 VanDerWaalsContact O-CG2 3.32Å; Y699-T702 WeakPolarHBondContact O-CG2 3.43Å; Y699-T702 PolarHBondContact O-N 3.44Å; Y699-T702 VanDerWaalsContact O-N 3.09Å; Y699-T702 PolarHBondContact O-OG1 2.89Å; T702-L704 VanDerWaalsContact C-N 3.29Å; T702-L704 PolarHBondContact O-N 3.07Å; T702-G705 PolarHBondContact O-N 3.49Å; T702-G705 PolarHBondContact OG1-N 2.89Å; T702-K706 WeakPolarHBondContact O-CB 3.47Å; T702-K706 WeakPolarHBondContact O-CG 3.49Å; T702-K706 PolarHBondContact O-N 3.42Å
703P92Very high91.4Very high69 Ų6960.3 Ų60.345%0.44831%0.306SS..Hα-helixtrans-54.7-43.1178.9-27.335.7000113.6C598 Q707C598-P703 HydrophobicContact CB-CG 4.02Å; P703-Q707 WeakPolarHBondContact O-CG 3.45Å; P703-Q707 PolarHBondContact O-N 3.15Å; P703-Q707 VanDerWaalsContact O-N 3.1Å
704L91.3Very high91.2Very high28 Ų2859.3 Ų59.315%0.14731%0.311CS..Hα-helixtrans-68.6-45.4177.9-169.271.7000111.2V2 E8 T702 K706 Q707 K708V2-L704 HydrophobicContact CG1-CD1 4.4Å; V2-L704 HydrophobicContact CG1-CD2 4.46Å; E8-L704 HydrophobicContact CG-CD2 3.68Å; T702-L704 VanDerWaalsContact C-N 3.29Å; T702-L704 PolarHBondContact O-N 3.07Å; L704-K706 VanDerWaalsContact C-N 3.29Å; L704-K706 PolarHBondContact O-N 3.07Å; L704-Q707 WeakPolarHBondContact O-CB 3.47Å; L704-Q707 PolarHBondContact O-N 2.87Å; L704-Q707 VanDerWaalsContact O-N 3.14Å; L704-K708 PolarHBondContact O-N 3.4Å
705G90.4Very high90.7Very high11 Ų1164.1 Ų64.111%0.11333%0.327CS..Hα-helixtrans-59.2-38.3176.800000113.2R700 T702 K708 A709R700-G705 CarbonylContact O-C 3.59Å; T702-G705 PolarHBondContact O-N 3.49Å; T702-G705 PolarHBondContact OG1-N 2.89Å; G705-K708 PolarHBondContact O-N 2.95Å; G705-A709 WeakPolarHBondContact O-CB 3.35Å; G705-A709 PolarHBondContact O-N 3.47Å
706K92.1Very high90.1Very high115 Ų11568.8 Ų68.850%0.535%0.353SS..Hα-helixtrans-67.2-41.8174.4-75.7179.9174.5178.90112.7R700 K701 T702 L704 K708 A709 L710R700-K706 PolarHBondContact O-N 3.17Å; K701-K706 VanDerWaalsContact O-CE 3.22Å; K701-K706 WeakPolarHBondContact O-CE 3.34Å; T702-K706 WeakPolarHBondContact O-CB 3.47Å; T702-K706 WeakPolarHBondContact O-CG 3.49Å; T702-K706 PolarHBondContact O-N 3.42Å; L704-K706 VanDerWaalsContact C-N 3.29Å; L704-K706 PolarHBondContact O-N 3.07Å; K706-K708 VanDerWaalsContact C-N 3.31Å; K706-A709 PolarHBondContact O-N 2.93Å; K706-L710 VanDerWaalsContact O-CG 3.31Å; K706-L710 WeakPolarHBondContact O-CG 3.49Å; K706-L710 PolarHBondContact O-N 3.2Å
707Q92.1Very high89.7Confident106 Ų10672.6 Ų72.650%0.49537%0.372SS..Hα-helixtrans-60.6-44.4175.2-74.3174.33.500110.6L6 P703 L704 L710 A711L6-Q707 HydrophobicContact CD1-CB 4.46Å; L6-Q707 HydrophobicContact CD2-CB 4.08Å; P703-Q707 WeakPolarHBondContact O-CG 3.45Å; P703-Q707 PolarHBondContact O-N 3.15Å; P703-Q707 VanDerWaalsContact O-N 3.1Å; L704-Q707 WeakPolarHBondContact O-CB 3.47Å; L704-Q707 PolarHBondContact O-N 2.87Å; L704-Q707 VanDerWaalsContact O-N 3.14Å; Q707-L710 PolarHBondContact O-N 3.39Å; Q707-A711 PolarHBondContact O-N 2.89Å
708K89.4Confident89.2Confident39 Ų3973.5 Ų73.517%0.1738%0.384CS..Hα-helixtrans-61.2-46.1176-173.4167.3176.6165.60112.3L6 E442 L704 G705 K706 L710 A711 I712L6-K708 HydrophobicContact CB-CB 3.89Å; L6-K708 HydrophobicContact CB-CG 4.31Å; E442-K708 IonicContact OE1-NZ 3.75Å; E442-K708 PolarHBondContact OE1-NZ 3.21Å; E442-K708 WeakPolarHBondContact OE2-CE 3.32Å; E442-K708 IonicContact OE2-NZ 2.76Å; E442-K708 PolarHBondContact OE2-NZ 3.06Å; L704-K708 PolarHBondContact O-N 3.4Å; G705-K708 PolarHBondContact O-N 2.95Å; K706-K708 VanDerWaalsContact C-N 3.31Å; K708-L710 VanDerWaalsContact C-N 3.32Å; K708-L710 PolarHBondContact O-N 3.28Å; K708-A711 PolarHBondContact O-N 3Å; K708-I712 HydrophobicContact CG-CD1 3.97Å; K708-I712 WeakPolarHBondContact O-CG1 3.49Å; K708-I712 PolarHBondContact O-N 3.39Å
709A87.8Confident88.5Confident46 Ų4677 Ų7738%0.3842%0.415SS..Hα-helixtrans-61-40177.900000112.7G705 K706 Q713G705-A709 WeakPolarHBondContact O-CB 3.35Å; G705-A709 PolarHBondContact O-N 3.47Å; K706-A709 PolarHBondContact O-N 2.93Å; A709-Q713 WeakPolarHBondContact O-CG 3.4Å; A709-Q713 PolarHBondContact O-N 3.14Å
710L91Very high87.6Confident110 Ų11078.8 Ų78.858%0.57643%0.433SS*.Hα-helixtrans-66.8-39.3175.5-71.3168.9000112.1K706 Q707 K708 Q713 A714K706-L710 VanDerWaalsContact O-CG 3.31Å; K706-L710 WeakPolarHBondContact O-CG 3.49Å; K706-L710 PolarHBondContact O-N 3.2Å; Q707-L710 PolarHBondContact O-N 3.39Å; K708-L710 VanDerWaalsContact C-N 3.32Å; K708-L710 PolarHBondContact O-N 3.28Å; L710-Q713 PolarHBondContact O-N 3Å; L710-A714 WeakPolarHBondContact O-CB 3.46Å; L710-A714 PolarHBondContact O-N 3.15Å
711A87.6Confident86Confident33 Ų3374.2 Ų74.227%0.27343%0.431SS..Hα-helixtrans-63.2-46.1176.200000111.7L6 Q707 K708 Q713 A714 E715L6-A711 HydrophobicContact CD1-CB 3.51Å; Q707-A711 PolarHBondContact O-N 2.89Å; K708-A711 PolarHBondContact O-N 3Å; A711-Q713 VanDerWaalsContact C-N 3.32Å; A711-Q713 PolarHBondContact O-N 3.09Å; A711-A714 PolarHBondContact O-N 2.98Å; A711-E715 PolarHBondContact O-N 2.92Å
712I86Confident84Confident77 Ų7772.3 Ų72.340%0.39544%0.441SS..Hα-helixtrans-62-40.3176.6-65.9166000111.1K708 E715 N716K708-I712 HydrophobicContact CG-CD1 3.97Å; K708-I712 WeakPolarHBondContact O-CG1 3.49Å; K708-I712 PolarHBondContact O-N 3.39Å; I712-E715 PolarHBondContact O-N 2.96Å; I712-N716 WeakPolarHBondContact O-CB 3.42Å; I712-N716 VanDerWaalsContact O-CG 3.28Å; I712-N716 PolarHBondContact O-N 3.07Å; I712-N716 PolarHBondContact O-ND2 3.06Å
713Q86.6Confident81.9Confident112 Ų11276.3 Ų76.352%0.52347%0.474SS..Hα-helixtrans-61.8-45174.8-78.7178.3-11.300111.8A709 L710 A711 E715 N716 E717A709-Q713 WeakPolarHBondContact O-CG 3.4Å; A709-Q713 PolarHBondContact O-N 3.14Å; L710-Q713 PolarHBondContact O-N 3Å; A711-Q713 VanDerWaalsContact C-N 3.32Å; A711-Q713 PolarHBondContact O-N 3.09Å; Q713-E715 PolarHBondContact O-N 3.44Å; Q713-N716 PolarHBondContact O-N 3.04Å; Q713-E717 WeakPolarHBondContact O-CB 3.46Å; Q713-E717 WeakPolarHBondContact O-CG 3.46Å; Q713-E717 PolarHBondContact O-N 3.23Å
714A88Confident79.5Confident55 Ų5579.2 Ų79.246%0.45549%0.486SS..Hα-helixtrans-63.7-39178.200000112.6L710 A711 E717 A718L710-A714 WeakPolarHBondContact O-CB 3.46Å; L710-A714 PolarHBondContact O-N 3.15Å; A711-A714 PolarHBondContact O-N 2.98Å; A714-E717 PolarHBondContact O-N 3.45Å; A714-A718 WeakPolarHBondContact O-CB 3.44Å; A714-A718 PolarHBondContact O-N 2.68Å
715E84.2Confident77.1Confident133 Ų13387.5 Ų87.562%0.62152%0.521SS*.Hα-helixtrans-64-43.8174.6-76176.817400111.9A711 I712 Q713 A718 A719A711-E715 PolarHBondContact O-N 2.92Å; I712-E715 PolarHBondContact O-N 2.96Å; Q713-E715 PolarHBondContact O-N 3.44Å; E715-A718 PolarHBondContact O-N 3.18Å; E715-A719 WeakPolarHBondContact O-CB 3.49Å; E715-A719 PolarHBondContact O-N 3.05Å
716N82.3Confident74.7Confident105 Ų10595 Ų9556%0.56155%0.55SS**Hα-helixtrans-65.5-39.1176.6-71.7-29.2000112.4I712 Q713 A719 S720I712-N716 WeakPolarHBondContact O-CB 3.42Å; I712-N716 VanDerWaalsContact O-CG 3.28Å; I712-N716 PolarHBondContact O-N 3.07Å; I712-N716 PolarHBondContact O-ND2 3.06Å; Q713-N716 PolarHBondContact O-N 3.04Å; N716-A719 PolarHBondContact O-N 3.09Å; N716-S720 WeakPolarHBondContact O-CB 3.46Å; N716-S720 PolarHBondContact O-N 2.98Å; N716-S720 PolarHBondContact O-OG 3.05Å; N716-S720 VanDerWaalsContact O-OG 3.07Å
717E83.2Confident72.2Confident136 Ų13695 Ų9564%0.63656%0.562SS**Hα-helixtrans-64.5-42.1173.7-75.8179-175.300111.6Q713 A714 S720 G721Q713-E717 WeakPolarHBondContact O-CB 3.46Å; Q713-E717 WeakPolarHBondContact O-CG 3.46Å; Q713-E717 PolarHBondContact O-N 3.23Å; A714-E717 PolarHBondContact O-N 3.45Å; E717-S720 PolarHBondContact O-N 2.68Å; E717-S720 PolarHBondContact O-OG 3.3Å; E717-G721 PolarHBondContact O-N 3.46Å
718A82.9Confident69.7Low71 Ų7196.8 Ų96.859%0.58758%0.58SS**Hα-helixtrans-63.7-41.8175.500000112.2A714 E715 G721A714-A718 WeakPolarHBondContact O-CB 3.44Å; A714-A718 PolarHBondContact O-N 2.68Å; E715-A718 PolarHBondContact O-N 3.18Å; A718-G721 PolarHBondContact O-N 2.94Å
719A79.6Confident67.3Low79 Ų79104.1 Ų104.165%0.65361%0.612SS**Hα-helixtrans-64.5-40.2176.700000112.3E715 N716E715-A719 WeakPolarHBondContact O-CB 3.49Å; E715-A719 PolarHBondContact O-N 3.05Å; N716-A719 PolarHBondContact O-N 3.09Å
720S73.9Confident64.8Low77 Ų77105.7 Ų105.754%0.53863%0.632SS.*Hα-helixtrans-76.3-31.1178.563.10000113.7N716 E717 G722 A723N716-S720 WeakPolarHBondContact O-CB 3.46Å; N716-S720 PolarHBondContact O-N 2.98Å; N716-S720 PolarHBondContact O-OG 3.05Å; N716-S720 VanDerWaalsContact O-OG 3.07Å; E717-S720 PolarHBondContact O-N 2.68Å; E717-S720 PolarHBondContact O-OG 3.3Å; S720-G722 PolarHBondContact O-N 3.43Å; S720-A723 PolarHBondContact O-N 3.35Å
721G58.4Low62.4Low49 Ų49112.3 Ų112.351%0.50565%0.65SS.*Hα-helixtrans-67.4-18.2176.900000114.6E717 A718 A723E717-G721 PolarHBondContact O-N 3.46Å; A718-G721 PolarHBondContact O-N 2.94Å; G721-A723 VanDerWaalsContact C-N 3.3Å; G721-A723 PolarHBondContact O-N 3.22Å
722G52.5Low60Low65 Ų65120.4 Ų120.467%0.6768%0.679SS**THydrogen-bonded Turntrans-69.6-22.5173.500000114.4S720S720-G722 PolarHBondContact O-N 3.43Å
723A48.4Very low57.9Low86 Ų86130.1 Ų130.171%0.71172%0.718SS**THydrogen-bonded Turntrans-93.4-1.8-173.400000114.8S720 G721S720-A723 PolarHBondContact O-N 3.35Å; G721-A723 VanDerWaalsContact C-N 3.3Å; G721-A723 PolarHBondContact O-N 3.22Å
724N41.2Very low56.4Low130 Ų130131.1 Ų131.170%0.69573%0.728SS**  trans-134.235.2-172-119.7-16.1000115.2K726N724-K726 PolarHBondContact O-N 3.24Å
725K42.4Very low54.8Low202 Ų202135.1 Ų135.188%0.87874%0.742SS**  trans-73.481.5158.6-80.6-176179.8173.40109.4
726K38.5Very low53.1Low169 Ų169135.2 Ų135.274%0.73575%0.749SS**  trans-53.7137.2161-81.4-179.8176174.10108.8N724 V728N724-K726 PolarHBondContact O-N 3.24Å; K726-V728 PolarHBondContact O-N 2.92Å; K726-V728 VanDerWaalsContact O-N 3.14Å
727P40Very low51.4Low116 Ų116136.9 Ų136.975%0.75376%0.76SS**  trans-64.5121.6175.427.5-30.9000107.7K729P727-K729 PolarHBondContact O-N 3.1Å
728V40.3Very low49.4Very low143 Ų143137 Ų13787%0.86777%0.768SS**  trans-56.7104.9167.9174.50000106.5K726 G730K726-V728 PolarHBondContact O-N 2.92Å; K726-V728 VanDerWaalsContact O-N 3.14Å; V728-G730 PolarHBondContact O-N 2.87Å; V728-G730 VanDerWaalsContact O-N 3.16Å
729K38.4Very low47.2Very low193 Ų193141.4 Ų141.484%0.83978%0.78SS**  trans-54.4120172.5-87.9-177.6172.7179.90108P727 R731P727-K729 PolarHBondContact O-N 3.1Å; K729-R731 PolarHBondContact O-N 2.9Å; K729-R731 VanDerWaalsContact O-N 3.17Å
730G35.9Very low44.9Very low78 Ų78145.9 Ų145.980%0.80479%0.789SS**  trans-50.9119.916900000110.1V728 K732V728-G730 PolarHBondContact O-N 2.87Å; V728-G730 VanDerWaalsContact O-N 3.16Å; G730-K732 PolarHBondContact O-N 3.05Å
731R40.4Very low42.7Very low250 Ų250151.2 Ų151.294%0.94381%0.808SS**  trans-86.7100.3163.5-123.7178175.9-179.3-1.7106.2K729 K733K729-R731 PolarHBondContact O-N 2.9Å; K729-R731 VanDerWaalsContact O-N 3.17Å; R731-K733 PolarHBondContact O-N 3.14Å
732K36.9Very low41.4Very low203 Ų203159.7 Ų159.788%0.88383%0.833SS**  trans-61.6121.6154.9-84.5-178172.5-1800107.7G730G730-K732 PolarHBondContact O-N 3.05Å
733K41.6Very low40.4Very low281 Ų281168.3 Ų168.3100%1.22285%0.848SS**  trans-153.60140.2-106.8-169.2179.8-171.50108.1R731R731-K733 PolarHBondContact O-N 3.14Å

Retrieved 733 of 733 residues in 1248.4 ms (Link to these results)

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