A0A087XEC3_POEFO Loading...

THAP-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XEC3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 173 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
1M62Low82.1Confident213 Ų21383.5 Ų83.5100%1.04945%0.449SS*.  0126.90-172.9177-170.700108.7
2V78.6Confident82.5Confident89 Ų8979.1 Ų79.154%0.53943%0.425SS..  trans-80.1133.7-177.8-179.10000109.7
3Q85.4Confident82.8Confident68 Ų6886.2 Ų86.232%0.31844%0.442SS..  trans-69.5133.7176-61-177.7-71.500110.2Y14 F22Q3-Y14 PolarHBondContact O-N 3.23Å; Q3-F22 HydrophobicContact CB-CB 4.32Å; Q3-F22 HydrophobicContact CB-CD1 4.24Å; Q3-F22 HydrophobicContact CB-CD2 4.26Å; Q3-F22 HydrophobicContact CB-CG 4Å
4T87.8Confident83Confident58 Ų5888.6 Ų88.636%0.35644%0.444SS..BIsolated β-bridgetrans-130.3150.4178.357.70000109.8R13T4-R13 HydrophobicContact CG2-CB 4.46Å; T4-R13 HydrophobicContact CG2-CG 3.97Å
5C88.8Confident83Confident12 Ų1289.1 Ų89.18%0.08144%0.444CS..BIsolated β-bridgetrans-77.3131176.8-167.70000110.2A7 C10 N12 F22 N52 C54C5-A7 WeakPolarHBondContact SG-CB 3.45Å; C5-C10 HydrophobicContact CB-CB 4.02Å; C5-C10 VanDerWaalsContact CB-SG 3.55Å; C5-C10 VanDerWaalsContact SG-SG 3.61Å; C5-N12 HydrophobicContact CB-CB 4.19Å; C5-N12 PolarHBondContact N-O 3.43Å; C5-F22 HydrophobicContact CB-CE1 4.3Å; C5-N52 CarbonylContact C-O 3.58Å; C5-N52 WeakPolarHBondContact CA-O 3.32Å; C5-C54 HydrophobicContact CB-CB 4.25Å; C5-C54 PolarHBondContact SG-N 2.97Å; C5-C54 PolarHBondContact SG-SG 3.35Å
6S87.4Confident82.7Confident25 Ų2594.8 Ų94.818%0.17547%0.465CS..  trans-87.2-8.1176.8-52.60000113M40 N52S6-M40 WeakPolarHBondContact O-CE 3.47Å; S6-N52 PolarHBondContact N-O 3.45Å; S6-N52 PolarHBondContact OG-N 3Å; S6-N52 PolarHBondContact OG-O 3.44Å
7A85.4Confident82.6Confident5 Ų597.2 Ų97.24%0.04148%0.481CS..SBendtrans-58.4144.9178.800000112C5 G9 C10 H57 F81C5-A7 WeakPolarHBondContact SG-CB 3.45Å; A7-G9 PolarHBondContact O-N 2.99Å; A7-C10 HydrophobicContact CB-CB 3.79Å; A7-C10 PolarHBondContact O-N 3.08Å; A7-H57 WeakPolarHBondContact CB-NE2 3.3Å; A7-F81 HydrophobicContact CB-CD1 4.12Å; A7-F81 HydrophobicContact CB-CE1 3.62Å
8Y81.8Confident82.5Confident153 Ų15398.1 Ų98.160%0.648%0.481SS*.THydrogen-bonded Turntrans-60.7130.8178.2-175-95000111C10 F83Y8-C10 PolarHBondContact O-N 3.11Å; Y8-C10 VanDerWaalsContact O-N 3.17Å; Y8-F83 HydrophobicContact CD1-CD1 4.35Å; Y8-F83 AromaticContact CD1-CE1 3.99Å; Y8-F83 HydrophobicContact CD1-CE1 3.99Å; Y8-F83 HydrophobicContact CG-CE1 4.21Å
9G78.1Confident82.5Confident73 Ų73101.8 Ų101.875%0.75350%0.504SS*.THydrogen-bonded Turntrans72.3-2-179.600000115.5A7A7-G9 PolarHBondContact O-N 2.99Å
10C84.8Confident82.6Confident25 Ų2597.9 Ų97.917%0.16949%0.485CS..  trans-88.8118.9-178.2-166.40000111.2C5 A7 Y8 N12 C54 H57C5-C10 HydrophobicContact CB-CB 4.02Å; C5-C10 VanDerWaalsContact CB-SG 3.55Å; C5-C10 VanDerWaalsContact SG-SG 3.61Å; A7-C10 HydrophobicContact CB-CB 3.79Å; A7-C10 PolarHBondContact O-N 3.08Å; Y8-C10 PolarHBondContact O-N 3.11Å; Y8-C10 VanDerWaalsContact O-N 3.17Å; C10-N12 VanDerWaalsContact SG-CG 3.59Å; C10-N12 PolarHBondContact SG-ND2 3.33Å; C10-N12 VanDerWaalsContact SG-ND2 3.42Å; C10-C54 VanDerWaalsContact SG-SG 3.62Å; C10-H57 PolarHBondContact SG-NE2 3.12Å; C10-H57 VanDerWaalsContact SG-NE2 3.39Å
11K83.4Confident82.7Confident197 Ų19795 Ų9586%0.85747%0.474SS*.  trans-98.814.1176.3-63-179.1-176.6177.70112.8R13K11-R13 PolarHBondContact O-N 3.09Å
12N87.1Confident84Confident31 Ų3186 Ų8617%0.16643%0.429CS..  trans-65.6124.2-177.9-72.6-17.2000111C5 C10 C54 Q56C5-N12 HydrophobicContact CB-CB 4.19Å; C5-N12 PolarHBondContact N-O 3.43Å; C10-N12 VanDerWaalsContact SG-CG 3.59Å; C10-N12 PolarHBondContact SG-ND2 3.33Å; C10-N12 VanDerWaalsContact SG-ND2 3.42Å; N12-C54 HydrophobicContact CB-CB 4.4Å; N12-C54 PolarHBondContact ND2-SG 3.1Å; N12-Q56 PolarHBondContact ND2-OE1 3.39Å
13R86.6Confident84.4Confident172 Ų17282.3 Ų82.365%0.64941%0.406SS*.BIsolated β-bridgetrans-117.7149.3173.6-57-169.2173.3-132.4-1.1108.9T4 K11 H15T4-R13 HydrophobicContact CG2-CB 4.46Å; T4-R13 HydrophobicContact CG2-CG 3.97Å; K11-R13 PolarHBondContact O-N 3.09Å; R13-H15 PolarHBondContact O-N 3.09Å
14Y84.8Confident84.5Confident120 Ų12085.5 Ų85.547%0.47142%0.419SS..  trans-59.2125.1175.2-179.6-94000110.5Q3 F22Q3-Y14 PolarHBondContact O-N 3.23Å; Y14-F22 HydrophobicContact CD2-CD2 4.03Å; Y14-F22 HydrophobicContact CD2-CE2 4.03Å; Y14-F22 HydrophobicContact CG-CE2 4.44Å
15H83.6Confident84.4Confident95 Ų9583.3 Ų83.344%0.4440%0.404SS..  trans-144.9136.7178.7-159.7-87.4000108.3R13 D17 K18R13-H15 PolarHBondContact O-N 3.09Å; H15-D17 IonicContact CE1-OD2 3.08Å; H15-D17 PolarHBondContact CE1-OD2 2.88Å; H15-D17 PolarHBondContact ND1-N 2.77Å; H15-D17 IonicContact ND1-OD2 3.52Å; H15-D17 PolarHBondContact O-N 2.99Å; H15-K18 HydrophobicContact CB-CB 4.21Å; H15-K18 HydrophobicContact CB-CD 4.07Å; H15-K18 HydrophobicContact CB-CG 4.03Å; H15-K18 PolarHBondContact O-N 3.16Å
16K78.1Confident84.1Confident180 Ų18083.9 Ų83.978%0.78341%0.408SS*.THydrogen-bonded Turntrans-62.4-34.1-178-73171.3179.1-89.70112.3K18K16-K18 VanDerWaalsContact C-N 3.28Å; K16-K18 PolarHBondContact O-N 3.43Å
17D80.6Confident83.6Confident136 Ų13687.3 Ų87.373%0.72742%0.424SS*.THydrogen-bonded Turntrans-82.8-1.7-178.3-49-25.9000114H15H15-D17 IonicContact CE1-OD2 3.08Å; H15-D17 PolarHBondContact CE1-OD2 2.88Å; H15-D17 PolarHBondContact ND1-N 2.77Å; H15-D17 IonicContact ND1-OD2 3.52Å; H15-D17 PolarHBondContact O-N 2.99Å
18K80.5Confident83.2Confident113 Ų11391.7 Ų91.749%0.49146%0.46SS..SBendtrans-106123.9177.1-69-176.8-173.8-70.30109.1H15 K16 I20H15-K18 HydrophobicContact CB-CB 4.21Å; H15-K18 HydrophobicContact CB-CD 4.07Å; H15-K18 HydrophobicContact CB-CG 4.03Å; H15-K18 PolarHBondContact O-N 3.16Å; K16-K18 VanDerWaalsContact C-N 3.28Å; K16-K18 PolarHBondContact O-N 3.43Å; K18-I20 HydrophobicContact CB-CD1 4.14Å; K18-I20 HydrophobicContact CB-CG1 4.15Å; K18-I20 HydrophobicContact CD-CD1 4.14Å; K18-I20 PolarHBondContact O-N 3.37Å
19D81.9Confident83.1Confident170 Ų17088.4 Ų88.491%0.90945%0.447SS*.  trans-7457.8171.8-67.8-39.9000111.7
20I84.8Confident83.3Confident23 Ų2388.8 Ų88.812%0.11844%0.436CS..  trans-123.5113.8-178.5-59.1176.7000108.7K18 F22 C54K18-I20 HydrophobicContact CB-CD1 4.14Å; K18-I20 HydrophobicContact CB-CG1 4.15Å; K18-I20 HydrophobicContact CD-CD1 4.14Å; K18-I20 PolarHBondContact O-N 3.37Å; I20-F22 HydrophobicContact CG2-CE2 4.18Å; I20-F22 HydrophobicContact CG2-CZ 4.24Å; I20-C54 HydrophobicContact CG2-CB 3.47Å; I20-C54 VanDerWaalsContact CG2-CB 3.47Å
21S86.2Confident83.3Confident38 Ų3891.9 Ų91.927%0.26645%0.45SS..  trans-87.2148.817254.60000111H23 C54 S55S21-H23 PolarHBondContact OG-NE2 3.36Å; S21-C54 CarbonylContact O-C 3.57Å; S21-C54 VanDerWaalsContact O-CA 3.28Å; S21-C54 WeakPolarHBondContact O-CA 3.13Å; S21-S55 PolarHBondContact N-OG 3.19Å; S21-S55 PolarHBondContact O-N 3.17Å; S21-S55 WeakPolarHBondContact OG-CB 3.3Å
22F87.6Confident83.4Confident22 Ų2282.9 Ų82.910%0.09641%0.412CS..EExtended strand (participates in β ladder)trans-112.4125.4178.5-69.1-93.3000109.6Q3 C5 Y14 I20 N52 C54Q3-F22 HydrophobicContact CB-CB 4.32Å; Q3-F22 HydrophobicContact CB-CD1 4.24Å; Q3-F22 HydrophobicContact CB-CD2 4.26Å; Q3-F22 HydrophobicContact CB-CG 4Å; C5-F22 HydrophobicContact CB-CE1 4.3Å; Y14-F22 HydrophobicContact CD2-CD2 4.03Å; Y14-F22 HydrophobicContact CD2-CE2 4.03Å; Y14-F22 HydrophobicContact CG-CE2 4.44Å; I20-F22 HydrophobicContact CG2-CE2 4.18Å; I20-F22 HydrophobicContact CG2-CZ 4.24Å; F22-N52 HydrophobicContact CB-CB 4.13Å; F22-N52 HydrophobicContact CD1-CB 4.24Å; F22-C54 HydrophobicContact CD1-CB 4.29Å; F22-C54 HydrophobicContact CE1-CB 4.1Å
23H87.9Confident83.3Confident12 Ų1282 Ų826%0.05641%0.408CS..EExtended strand (participates in β ladder)trans-110.3129.8-177.8-57.6-75.4000110.4S21 W36 N52 I53 F58 F63 N69 R70 L72S21-H23 PolarHBondContact OG-NE2 3.36Å; H23-W36 HydrophobicContact CB-CH2 4.19Å; H23-N52 CarbonylContact O-C 3.58Å; H23-N52 VanDerWaalsContact O-CA 3.31Å; H23-N52 WeakPolarHBondContact O-CA 3.45Å; H23-I53 PolarHBondContact N-O 3.23Å; H23-I53 PolarHBondContact O-N 3.08Å; H23-F58 HydrophobicContact CB-CE2 4.44Å; H23-F63 AromaticContact CE1-CE1 3.73Å; H23-F63 AromaticContact NE2-CE1 3.44Å; H23-F63 WeakPolarHBondContact NE2-CE1 3.28Å; H23-N69 PolarHBondContact CE1-O 3.37Å; H23-R70 PolarHBondContact CE1-O 3.24Å; H23-R70 VanDerWaalsContact CE1-O 3.24Å; H23-R70 PolarHBondContact ND1-O 2.96Å; H23-L72 HydrophobicContact CB-CD1 3.57Å; H23-L72 HydrophobicContact CB-CG 4.35Å
24K87.1Confident83.2Confident136 Ų13681.7 Ų81.759%0.59141%0.407SS*.EExtended strand (participates in β ladder)trans-76.2153.4177.5-64.4-174.1-179.9-159.50110.6N52K24-N52 WeakPolarHBondContact CG-OD1 3.45Å
25F85.1Confident83.4Confident11 Ų1181.6 Ų81.65%0.04841%0.409CS..  trans-62136.9172.9-82.2-99.9000111L27 W36 V37 M40 F45 P47 S51 I53F25-L27 HydrophobicContact CB-CD2 4.44Å; F25-L27 PolarHBondContact O-N 3.16Å; F25-W36 HydrophobicContact CD1-CB 4.1Å; F25-W36 HydrophobicContact CD1-CD2 4.41Å; F25-W36 AromaticContact CD1-CE3 3.79Å; F25-W36 HydrophobicContact CD1-CE3 3.79Å; F25-W36 HydrophobicContact CD2-CE3 4.41Å; F25-W36 HydrophobicContact CE1-CB 3.63Å; F25-W36 HydrophobicContact CE1-CD2 4.42Å; F25-W36 AromaticContact CE1-CE3 3.81Å; F25-W36 HydrophobicContact CE1-CE3 3.81Å; F25-W36 HydrophobicContact CE1-CG 4.43Å; F25-W36 HydrophobicContact CE2-CE3 4.4Å; F25-W36 HydrophobicContact CG-CE3 4.12Å; F25-W36 HydrophobicContact CG-CZ3 4.5Å; F25-W36 HydrophobicContact CZ-CE3 4.11Å; F25-V37 HydrophobicContact CE1-CG2 4.17Å; F25-M40 HydrophobicContact CE1-SD 4.32Å; F25-M40 HydrophobicContact CE2-SD 4.49Å; F25-M40 HydrophobicContact CZ-SD 3.55Å; F25-M40 VanDerWaalsContact CZ-SD 3.55Å; F25-F45 HydrophobicContact CE1-CE1 4.35Å; F25-F45 HydrophobicContact CE2-CE1 4.13Å; F25-F45 HydrophobicContact CE2-CZ 4.47Å; F25-F45 AromaticContact CZ-CE1 3.73Å; F25-F45 HydrophobicContact CZ-CE1 3.73Å; F25-F45 HydrophobicContact CZ-CZ 4.47Å; F25-P47 HydrophobicContact CB-CB 4.12Å; F25-P47 HydrophobicContact CD1-CB 3.46Å; F25-P47 VanDerWaalsContact CD1-CB 3.46Å; F25-P47 HydrophobicContact CD1-CG 4.2Å; F25-P47 HydrophobicContact CD2-CB 4.06Å; F25-P47 HydrophobicContact CE1-CB 3.79Å; F25-P47 HydrophobicContact CE2-CB 4.38Å; F25-P47 HydrophobicContact CG-CB 3.59Å; F25-P47 HydrophobicContact CZ-CB 4.24Å; F25-S51 WeakPolarHBondContact CD2-O 3.42Å; F25-I53 HydrophobicContact CE1-CD1 4.41Å; F25-I53 HydrophobicContact CE2-CD1 4.16Å; F25-I53 HydrophobicContact CE2-CG1 3.9Å; F25-I53 HydrophobicContact CZ-CD1 3.74Å; F25-I53 HydrophobicContact CZ-CG1 4Å
26P82.3Confident83.6Confident24 Ų2477.4 Ų77.416%0.15639%0.389CS..  trans-74.676.4175.930.9-33.8000110.2A28 R29 V32 C33P26-A28 PolarHBondContact O-N 2.95Å; P26-R29 CarbonylContact O-C 3.44Å; P26-R29 PolarHBondContact O-N 3.42Å; P26-R29 VanDerWaalsContact O-O 3.09Å; P26-V32 HydrophobicContact CG-CB 4.07Å; P26-V32 HydrophobicContact CG-CG1 3.88Å; P26-C33 HydrophobicContact CG-CB 4.39Å
27L78.1Confident84Confident97 Ų9770.4 Ų70.451%0.50836%0.361SS..THydrogen-bonded Turntrans-62.4-28.6179.4-64.6177.2000112.6F25 R29 K49F25-L27 HydrophobicContact CB-CD2 4.44Å; F25-L27 PolarHBondContact O-N 3.16Å; L27-R29 PolarHBondContact O-N 3.2Å; L27-K49 HydrophobicContact CD1-CB 4.06Å
28A77.6Confident84.2Confident98 Ų9867.2 Ų67.281%0.8135%0.354SS*.THydrogen-bonded Turntrans-68.6-15.7174.700000113.4P26P26-A28 PolarHBondContact O-N 2.95Å
29R79.7Confident84.3Confident84 Ų8462.9 Ų62.932%0.31734%0.34SS..  trans-13188.8-176.3-64-168.4-61124.811.5110.2P26 L27 D31 V32 C33 D74P26-R29 CarbonylContact O-C 3.44Å; P26-R29 PolarHBondContact O-N 3.42Å; P26-R29 VanDerWaalsContact O-O 3.09Å; L27-R29 PolarHBondContact O-N 3.2Å; R29-D31 PolarHBondContact O-N 2.98Å; R29-V32 PolarHBondContact O-N 2.94Å; R29-C33 WeakPolarHBondContact O-CB 3.48Å; R29-C33 PolarHBondContact O-N 2.85Å; R29-C33 VanDerWaalsContact O-N 3.09Å; R29-D74 VanDerWaalsContact NH1-C 3.31Å; R29-D74 PolarHBondContact NH1-O 3.41Å; R29-D74 VanDerWaalsContact NH2-CA 3.26Å; R29-D74 PolarHBondContact NH2-O 3.29Å
30P81.9Confident84.3Confident80 Ų8054.8 Ų54.852%0.51930%0.296SS..Hα-helixtrans-62-29.2-172.224.2-33.7000112.9C33 R34P30-C33 PolarHBondContact O-N 3.4Å; P30-R34 WeakPolarHBondContact O-CB 3.48Å; P30-R34 VanDerWaalsContact O-CG 3.27Å; P30-R34 WeakPolarHBondContact O-CG 3.36Å; P30-R34 PolarHBondContact O-N 3.33Å
31D85.1Confident83.7Confident90 Ų9062.9 Ų62.948%0.48133%0.325SS..Hα-helixtrans-64.3-46.8179.8-56.3-41.9000112.8R29 R34 K35R29-D31 PolarHBondContact O-N 2.98Å; D31-R34 PolarHBondContact O-N 3.05Å; D31-R34 IonicContact OD1-CZ 3.35Å; D31-R34 IonicContact OD1-NH2 2.67Å; D31-R34 PolarHBondContact OD1-NH2 3.46Å; D31-K35 WeakPolarHBondContact O-CG 3.36Å; D31-K35 PolarHBondContact O-N 2.74Å; D31-K35 VanDerWaalsContact O-N 3.16Å
32V85.1Confident83Confident8 Ų867.2 Ų67.25%0.04834%0.336CS..Hα-helixtrans-71.8-38.8178.2-177.10000109.9P26 R29 R34 K35 W36 D74 A76P26-V32 HydrophobicContact CG-CB 4.07Å; P26-V32 HydrophobicContact CG-CG1 3.88Å; R29-V32 PolarHBondContact O-N 2.94Å; V32-R34 PolarHBondContact O-N 2.93Å; V32-K35 WeakPolarHBondContact O-CB 3.48Å; V32-K35 PolarHBondContact O-N 3.43Å; V32-K35 VanDerWaalsContact O-N 3.15Å; V32-W36 PolarHBondContact O-N 2.86Å; V32-D74 WeakPolarHBondContact CG2-O 3.39Å; V32-A76 WeakPolarHBondContact CG1-O 3.47Å
33C85.6Confident82.1Confident12 Ų1271 Ų718%0.08137%0.365CS..Hα-helixtrans-57.8-46.5174.4-168.30000111.7P26 R29 P30 K35 W36 V37 P47P26-C33 HydrophobicContact CG-CB 4.39Å; R29-C33 WeakPolarHBondContact O-CB 3.48Å; R29-C33 PolarHBondContact O-N 2.85Å; R29-C33 VanDerWaalsContact O-N 3.09Å; P30-C33 PolarHBondContact O-N 3.4Å; C33-K35 VanDerWaalsContact C-N 3.33Å; C33-K35 PolarHBondContact O-N 3.49Å; C33-W36 WeakPolarHBondContact O-CB 3.46Å; C33-W36 PolarHBondContact O-N 2.93Å; C33-W36 VanDerWaalsContact O-N 3.14Å; C33-V37 WeakPolarHBondContact O-CG2 3.48Å; C33-V37 PolarHBondContact O-N 2.85Å; C33-P47 VanDerWaalsContact SG-CG 3.53Å
34R84.3Confident81.3Confident167 Ų16778.1 Ų78.163%0.6340%0.404SS*.Hα-helixtrans-58.8-42.4174.4-76.9-173.9-67.5169.6-2.9112P30 D31 V32 W36 V37 A38P30-R34 WeakPolarHBondContact O-CB 3.48Å; P30-R34 VanDerWaalsContact O-CG 3.27Å; P30-R34 WeakPolarHBondContact O-CG 3.36Å; P30-R34 PolarHBondContact O-N 3.33Å; D31-R34 PolarHBondContact O-N 3.05Å; D31-R34 IonicContact OD1-CZ 3.35Å; D31-R34 IonicContact OD1-NH2 2.67Å; D31-R34 PolarHBondContact OD1-NH2 3.46Å; V32-R34 PolarHBondContact O-N 2.93Å; R34-W36 VanDerWaalsContact C-N 3.33Å; R34-W36 PolarHBondContact O-N 3.36Å; R34-V37 PolarHBondContact O-N 3.38Å; R34-A38 WeakPolarHBondContact O-CB 3.37Å; R34-A38 PolarHBondContact O-N 3.07Å
35K87.8Confident81Confident118 Ų11873.5 Ų73.551%0.51338%0.384SS..Hα-helixtrans-61.3-40175.2-69.2175.4-173.6178.40112.1D31 V32 C33 A38 A39 V77D31-K35 WeakPolarHBondContact O-CG 3.36Å; D31-K35 PolarHBondContact O-N 2.74Å; D31-K35 VanDerWaalsContact O-N 3.16Å; V32-K35 WeakPolarHBondContact O-CB 3.48Å; V32-K35 PolarHBondContact O-N 3.43Å; V32-K35 VanDerWaalsContact O-N 3.15Å; C33-K35 VanDerWaalsContact C-N 3.33Å; C33-K35 PolarHBondContact O-N 3.49Å; K35-A38 PolarHBondContact O-N 2.78Å; K35-A39 VanDerWaalsContact O-CB 3.23Å; K35-A39 WeakPolarHBondContact O-CB 3.4Å; K35-A39 PolarHBondContact O-N 3.24Å; K35-V77 HydrophobicContact CB-CG1 3.92Å; K35-V77 HydrophobicContact CB-CG2 3.78Å; K35-V77 HydrophobicContact CD-CG2 3.84Å; K35-V77 HydrophobicContact CG-CG2 4.44Å
36W88.4Confident80.7Confident6 Ų681.4 Ų81.42%0.02342%0.418CS..Hα-helixtrans-64.7-45176.1-73.934.4000112.1H23 F25 V32 C33 R34 A39 M40 I53 F58 L72 A76 P78H23-W36 HydrophobicContact CB-CH2 4.19Å; F25-W36 HydrophobicContact CD1-CB 4.1Å; F25-W36 HydrophobicContact CD1-CD2 4.41Å; F25-W36 AromaticContact CD1-CE3 3.79Å; F25-W36 HydrophobicContact CD1-CE3 3.79Å; F25-W36 HydrophobicContact CD2-CE3 4.41Å; F25-W36 HydrophobicContact CE1-CB 3.63Å; F25-W36 HydrophobicContact CE1-CD2 4.42Å; F25-W36 AromaticContact CE1-CE3 3.81Å; F25-W36 HydrophobicContact CE1-CE3 3.81Å; F25-W36 HydrophobicContact CE1-CG 4.43Å; F25-W36 HydrophobicContact CE2-CE3 4.4Å; F25-W36 HydrophobicContact CG-CE3 4.12Å; F25-W36 HydrophobicContact CG-CZ3 4.5Å; F25-W36 HydrophobicContact CZ-CE3 4.11Å; V32-W36 PolarHBondContact O-N 2.86Å; C33-W36 WeakPolarHBondContact O-CB 3.46Å; C33-W36 PolarHBondContact O-N 2.93Å; C33-W36 VanDerWaalsContact O-N 3.14Å; R34-W36 VanDerWaalsContact C-N 3.33Å; R34-W36 PolarHBondContact O-N 3.36Å; W36-A39 PolarHBondContact O-N 2.97Å; W36-M40 WeakPolarHBondContact O-CG 3.41Å; W36-M40 PolarHBondContact O-N 3.33Å; W36-I53 HydrophobicContact CD2-CD1 4.3Å; W36-I53 HydrophobicContact CE3-CD1 3.5Å; W36-I53 VanDerWaalsContact CE3-CD1 3.5Å; W36-I53 HydrophobicContact CE3-CG1 4.14Å; W36-I53 HydrophobicContact CZ3-CB 4.3Å; W36-I53 HydrophobicContact CZ3-CD1 4.01Å; W36-I53 HydrophobicContact CZ3-CG1 4.19Å; W36-F58 HydrophobicContact CD2-CE1 4.48Å; W36-F58 HydrophobicContact CD2-CZ 4.31Å; W36-F58 AromaticContact CE2-CE1 3.8Å; W36-F58 AromaticContact CE2-CZ 3.96Å; W36-F58 HydrophobicContact CE3-CZ 4.17Å; W36-F58 AromaticContact CH2-CE1 3.85Å; W36-F58 HydrophobicContact CH2-CE1 3.85Å; W36-F58 HydrophobicContact CH2-CE2 4.32Å; W36-F58 AromaticContact CH2-CZ 3.33Å; W36-F58 HydrophobicContact CH2-CZ 3.33Å; W36-F58 AromaticContact CZ2-CE1 3.47Å; W36-F58 HydrophobicContact CZ2-CE1 3.47Å; W36-F58 VanDerWaalsContact CZ2-CE1 3.47Å; W36-F58 AromaticContact CZ2-CZ 3.49Å; W36-F58 HydrophobicContact CZ2-CZ 3.49Å; W36-F58 VanDerWaalsContact CZ2-CZ 3.49Å; W36-F58 HydrophobicContact CZ3-CE1 4.47Å; W36-F58 AromaticContact CZ3-CZ 3.69Å; W36-F58 HydrophobicContact CZ3-CZ 3.69Å; W36-L72 HydrophobicContact CH2-CD1 3.37Å; W36-L72 HydrophobicContact CZ2-CD1 3.4Å; W36-A76 PolarHBondContact NE1-O 2.91Å; W36-P78 HydrophobicContact CB-CG 4.22Å; W36-P78 HydrophobicContact CD2-CG 4.13Å; W36-P78 VanDerWaalsContact CG-CD 3.42Å; W36-P78 HydrophobicContact CG-CG 3.95Å
37V86.1Confident80.6Confident33 Ų3381.9 Ų81.920%0.242%0.421CS..Hα-helixtrans-62.3-44.5177.3175.80000110.8F25 C33 R34 A39 M40 F45 P47F25-V37 HydrophobicContact CE1-CG2 4.17Å; C33-V37 WeakPolarHBondContact O-CG2 3.48Å; C33-V37 PolarHBondContact O-N 2.85Å; R34-V37 PolarHBondContact O-N 3.38Å; V37-A39 VanDerWaalsContact C-N 3.33Å; V37-A39 PolarHBondContact O-N 3.3Å; V37-M40 PolarHBondContact O-N 3.48Å; V37-F45 HydrophobicContact CG2-CD1 4.38Å; V37-P47 HydrophobicContact CG2-CB 4.33Å; V37-P47 HydrophobicContact CG2-CG 3.69Å
38A84.4Confident80.8Confident70 Ų7080.6 Ų80.658%0.57942%0.418SS*.Hα-helixtrans-60.9-43.2175.400000111.5R34 K35 M40 R41R34-A38 WeakPolarHBondContact O-CB 3.37Å; R34-A38 PolarHBondContact O-N 3.07Å; K35-A38 PolarHBondContact O-N 2.78Å; A38-M40 VanDerWaalsContact C-N 3.31Å; A38-M40 PolarHBondContact O-N 3.08Å; A38-R41 PolarHBondContact O-N 3.33Å; A38-R41 VanDerWaalsContact O-N 3.09Å
39A83.6Confident81Confident22 Ų2282.1 Ų82.118%0.18241%0.406CS..Hα-helixtrans-67.1-31.617900000112.5K35 W36 V37 R41 V77 P78 F81 F83K35-A39 VanDerWaalsContact O-CB 3.23Å; K35-A39 WeakPolarHBondContact O-CB 3.4Å; K35-A39 PolarHBondContact O-N 3.24Å; W36-A39 PolarHBondContact O-N 2.97Å; V37-A39 VanDerWaalsContact C-N 3.33Å; V37-A39 PolarHBondContact O-N 3.3Å; A39-R41 PolarHBondContact O-N 3.48Å; A39-V77 HydrophobicContact CB-CG1 4.18Å; A39-P78 HydrophobicContact CB-CG 4.29Å; A39-P78 WeakPolarHBondContact CB-O 3.24Å; A39-F81 VanDerWaalsContact C-CE2 3.43Å; A39-F81 HydrophobicContact CB-CD2 4.24Å; A39-F81 HydrophobicContact CB-CE2 3.59Å; A39-F81 HydrophobicContact CB-CZ 4.48Å; A39-F81 WeakPolarHBondContact O-CD2 3.4Å; A39-F81 VanDerWaalsContact O-CE2 3.3Å; A39-F81 WeakPolarHBondContact O-CE2 3.38Å; A39-F83 WeakPolarHBondContact O-CE2 3.26Å
40M80.7Confident81.1Confident0 Ų085.1 Ų85.10%042%0.418CS..THydrogen-bonded Turntrans-68.8-10.8173-75.8178.755.500114.4S6 F25 W36 V37 A38 R42 F45 I53 F81 F83S6-M40 WeakPolarHBondContact O-CE 3.47Å; F25-M40 HydrophobicContact CE1-SD 4.32Å; F25-M40 HydrophobicContact CE2-SD 4.49Å; F25-M40 HydrophobicContact CZ-SD 3.55Å; F25-M40 VanDerWaalsContact CZ-SD 3.55Å; W36-M40 WeakPolarHBondContact O-CG 3.41Å; W36-M40 PolarHBondContact O-N 3.33Å; V37-M40 PolarHBondContact O-N 3.48Å; A38-M40 VanDerWaalsContact C-N 3.31Å; A38-M40 PolarHBondContact O-N 3.08Å; M40-R42 PolarHBondContact O-N 3.43Å; M40-F45 HydrophobicContact CE-CD1 3.86Å; M40-F45 HydrophobicContact CE-CD2 4.42Å; M40-F45 HydrophobicContact CE-CE1 3.77Å; M40-F45 HydrophobicContact CE-CE2 4.34Å; M40-F45 HydrophobicContact CE-CG 4.19Å; M40-F45 HydrophobicContact CE-CZ 4.02Å; M40-F45 HydrophobicContact SD-CD1 4.22Å; M40-F45 HydrophobicContact SD-CE1 4Å; M40-I53 HydrophobicContact CG-CD1 4.18Å; M40-I53 HydrophobicContact SD-CD1 3.8Å; M40-I53 HydrophobicContact SD-CG1 4.42Å; M40-F81 HydrophobicContact CB-CE1 4.41Å; M40-F81 HydrophobicContact CB-CZ 4.29Å; M40-F81 HydrophobicContact CG-CE1 3.69Å; M40-F81 HydrophobicContact CG-CE2 4.46Å; M40-F81 HydrophobicContact CG-CZ 3.48Å; M40-F81 VanDerWaalsContact CG-CZ 3.48Å; M40-F83 VanDerWaalsContact C-CZ 3.49Å; M40-F83 VanDerWaalsContact O-CZ 3.24Å; M40-F83 WeakPolarHBondContact O-CZ 3.32Å
41R72.3Confident81.3Confident192 Ų19281.7 Ų81.773%0.72540%0.396SS*.THydrogen-bonded Turntrans44.931.6180-58-171.8176.1-156.3-1.6114.2A38 A39 F83A38-R41 PolarHBondContact O-N 3.33Å; A38-R41 VanDerWaalsContact O-N 3.09Å; A39-R41 PolarHBondContact O-N 3.48Å; R41-F83 HydrophobicContact CB-CD1 4.46Å; R41-F83 HydrophobicContact CB-CE1 3.82Å; R41-F83 HydrophobicContact CB-CE2 4.07Å; R41-F83 HydrophobicContact CB-CZ 3.63Å; R41-F83 HydrophobicContact CG-CD2 4.21Å; R41-F83 HydrophobicContact CG-CE1 4.31Å; R41-F83 HydrophobicContact CG-CE2 3.7Å; R41-F83 HydrophobicContact CG-CZ 3.82Å
42R73.3Confident81.5Confident129 Ų12977.9 Ų77.949%0.48738%0.375SS..  trans-101.2115.9179.2-168.6172.5-174.5140.45.3108.2M40 F45M40-R42 PolarHBondContact O-N 3.43Å; R42-F45 HydrophobicContact CB-CB 3.99Å; R42-F45 HydrophobicContact CG-CB 4Å
43S68.2Low81.7Confident103 Ų10377.5 Ų77.572%0.7237%0.373SS*.THydrogen-bonded Turntrans-62.9140.3172.549.30000109.6F45S43-F45 PolarHBondContact O-N 3.45Å; S43-F45 VanDerWaalsContact O-N 3.13Å
44N71.5Confident81.8Confident160 Ų16076.9 Ų76.986%0.85637%0.369SS*.THydrogen-bonded Turntrans61.417.9175.9-51.7-36.9000116.5K46N44-K46 PolarHBondContact O-N 3.47Å
45F79.8Confident82Confident39 Ų3970 Ų7017%0.17135%0.347CS..  trans-77.5113.4174.8-175.4-104.4000111.3F25 V37 M40 R42 S43 P47F25-F45 HydrophobicContact CE1-CE1 4.35Å; F25-F45 HydrophobicContact CE2-CE1 4.13Å; F25-F45 HydrophobicContact CE2-CZ 4.47Å; F25-F45 AromaticContact CZ-CE1 3.73Å; F25-F45 HydrophobicContact CZ-CE1 3.73Å; F25-F45 HydrophobicContact CZ-CZ 4.47Å; V37-F45 HydrophobicContact CG2-CD1 4.38Å; M40-F45 HydrophobicContact CE-CD1 3.86Å; M40-F45 HydrophobicContact CE-CD2 4.42Å; M40-F45 HydrophobicContact CE-CE1 3.77Å; M40-F45 HydrophobicContact CE-CE2 4.34Å; M40-F45 HydrophobicContact CE-CG 4.19Å; M40-F45 HydrophobicContact CE-CZ 4.02Å; M40-F45 HydrophobicContact SD-CD1 4.22Å; M40-F45 HydrophobicContact SD-CE1 4Å; R42-F45 HydrophobicContact CB-CB 3.99Å; R42-F45 HydrophobicContact CG-CB 4Å; S43-F45 PolarHBondContact O-N 3.45Å; S43-F45 VanDerWaalsContact O-N 3.13Å; F45-P47 HydrophobicContact CE1-CB 4.02Å; F45-P47 WeakPolarHBondContact O-CD 3.44Å
46K79.9Confident82Confident177 Ų17769.5 Ų69.577%0.7735%0.346SS*.  trans-95109.9170.3-72.9177.8-176.7-87.90109.1N44 T48N44-K46 PolarHBondContact O-N 3.47Å; K46-T48 PolarHBondContact O-N 2.94Å
47P79.8Confident81.9Confident34 Ų3470 Ų7022%0.22135%0.349CS..  trans-63.9124.7178.825.6-32.4000109.8F25 C33 V37 F45F25-P47 HydrophobicContact CB-CB 4.12Å; F25-P47 HydrophobicContact CD1-CB 3.46Å; F25-P47 VanDerWaalsContact CD1-CB 3.46Å; F25-P47 HydrophobicContact CD1-CG 4.2Å; F25-P47 HydrophobicContact CD2-CB 4.06Å; F25-P47 HydrophobicContact CE1-CB 3.79Å; F25-P47 HydrophobicContact CE2-CB 4.38Å; F25-P47 HydrophobicContact CG-CB 3.59Å; F25-P47 HydrophobicContact CZ-CB 4.24Å; C33-P47 VanDerWaalsContact SG-CG 3.53Å; V37-P47 HydrophobicContact CG2-CB 4.33Å; V37-P47 HydrophobicContact CG2-CG 3.69Å; F45-P47 HydrophobicContact CE1-CB 4.02Å; F45-P47 WeakPolarHBondContact O-CD 3.44Å
48T82.6Confident81.9Confident71 Ų7168.9 Ų68.944%0.43634%0.341SS..  trans-104.1166.8175.662.30000110.7K46 Y50 S51K46-T48 PolarHBondContact O-N 2.94Å; T48-Y50 PolarHBondContact O-N 2.89Å; T48-S51 PolarHBondContact N-OG 3.24Å; T48-S51 VanDerWaalsContact O-CB 3.3Å; T48-S51 WeakPolarHBondContact O-CB 3.49Å; T48-S51 PolarHBondContact O-N 3.25Å; T48-S51 PolarHBondContact O-OG 3.27Å; T48-S51 PolarHBondContact OG1-N 2.95Å; T48-S51 PolarHBondContact OG1-OG 2.78Å
49K81.1Confident81.9Confident129 Ų12967.7 Ų67.756%0.56133%0.327SS*.THydrogen-bonded Turntrans-60-14.8174.769.2-175.7-176.5-178.40114.6L27L27-K49 HydrophobicContact CD1-CB 4.06Å
50Y82.5Confident81.7Confident148 Ų14874.2 Ų74.258%0.5835%0.354SS*.THydrogen-bonded Turntrans-101.2-6.7177.3-55.5-71.7000113.1T48 N52T48-Y50 PolarHBondContact O-N 2.89Å; Y50-N52 PolarHBondContact O-ND2 3.17Å
51S86.2Confident81.7Confident7 Ų780 Ų805%0.04939%0.385CS..  trans-73.9128.7174.7-59.40000108.9F25 T48F25-S51 WeakPolarHBondContact CD2-O 3.42Å; T48-S51 PolarHBondContact N-OG 3.24Å; T48-S51 VanDerWaalsContact O-CB 3.3Å; T48-S51 WeakPolarHBondContact O-CB 3.49Å; T48-S51 PolarHBondContact O-N 3.25Å; T48-S51 PolarHBondContact O-OG 3.27Å; T48-S51 PolarHBondContact OG1-N 2.95Å; T48-S51 PolarHBondContact OG1-OG 2.78Å
52N88.8Confident82Confident10 Ų1071.8 Ų71.85%0.05336%0.356CS..EExtended strand (participates in β ladder)trans-130.9150.5179.5-51.5-86.2000109.8C5 S6 F22 H23 K24 Y50C5-N52 CarbonylContact C-O 3.58Å; C5-N52 WeakPolarHBondContact CA-O 3.32Å; S6-N52 PolarHBondContact N-O 3.45Å; S6-N52 PolarHBondContact OG-N 3Å; S6-N52 PolarHBondContact OG-O 3.44Å; F22-N52 HydrophobicContact CB-CB 4.13Å; F22-N52 HydrophobicContact CD1-CB 4.24Å; H23-N52 CarbonylContact O-C 3.58Å; H23-N52 VanDerWaalsContact O-CA 3.31Å; H23-N52 WeakPolarHBondContact O-CA 3.45Å; K24-N52 WeakPolarHBondContact CG-OD1 3.45Å; Y50-N52 PolarHBondContact O-ND2 3.17Å
53I89.1Confident82.5Confident0 Ų066 Ų660%034%0.335CS..EExtended strand (participates in β ladder)trans-118134.5169.4-57.2-173.6000107.9H23 F25 W36 M40 H57 F58 P78 F81H23-I53 PolarHBondContact N-O 3.23Å; H23-I53 PolarHBondContact O-N 3.08Å; F25-I53 HydrophobicContact CE1-CD1 4.41Å; F25-I53 HydrophobicContact CE2-CD1 4.16Å; F25-I53 HydrophobicContact CE2-CG1 3.9Å; F25-I53 HydrophobicContact CZ-CD1 3.74Å; F25-I53 HydrophobicContact CZ-CG1 4Å; W36-I53 HydrophobicContact CD2-CD1 4.3Å; W36-I53 HydrophobicContact CE3-CD1 3.5Å; W36-I53 VanDerWaalsContact CE3-CD1 3.5Å; W36-I53 HydrophobicContact CE3-CG1 4.14Å; W36-I53 HydrophobicContact CZ3-CB 4.3Å; W36-I53 HydrophobicContact CZ3-CD1 4.01Å; W36-I53 HydrophobicContact CZ3-CG1 4.19Å; M40-I53 HydrophobicContact CG-CD1 4.18Å; M40-I53 HydrophobicContact SD-CD1 3.8Å; M40-I53 HydrophobicContact SD-CG1 4.42Å; I53-H57 HydrophobicContact CG2-CB 3.6Å; I53-F58 HydrophobicContact CB-CE2 3.85Å; I53-F58 HydrophobicContact CB-CZ 4.14Å; I53-F58 HydrophobicContact CG2-CD2 4.43Å; I53-F58 HydrophobicContact CG2-CE2 3.55Å; I53-F58 HydrophobicContact CG2-CZ 4.04Å; I53-P78 HydrophobicContact CD1-CB 4.46Å; I53-P78 HydrophobicContact CD1-CG 3.91Å; I53-P78 HydrophobicContact CG2-CB 4.48Å; I53-F81 HydrophobicContact CD1-CZ 4.47Å
54C88.6Confident83Confident0 Ų064.9 Ų64.90%032%0.317CS..EExtended strand (participates in β ladder)trans-75.6155.7177.6620000112.5C5 C10 N12 I20 S21 F22 Q56 H57C5-C54 HydrophobicContact CB-CB 4.25Å; C5-C54 PolarHBondContact SG-N 2.97Å; C5-C54 PolarHBondContact SG-SG 3.35Å; C10-C54 VanDerWaalsContact SG-SG 3.62Å; N12-C54 HydrophobicContact CB-CB 4.4Å; N12-C54 PolarHBondContact ND2-SG 3.1Å; I20-C54 HydrophobicContact CG2-CB 3.47Å; I20-C54 VanDerWaalsContact CG2-CB 3.47Å; S21-C54 CarbonylContact O-C 3.57Å; S21-C54 VanDerWaalsContact O-CA 3.28Å; S21-C54 WeakPolarHBondContact O-CA 3.13Å; F22-C54 HydrophobicContact CD1-CB 4.29Å; F22-C54 HydrophobicContact CE1-CB 4.1Å; C54-Q56 PolarHBondContact O-N 3.38Å; C54-Q56 VanDerWaalsContact O-N 3.07Å; C54-H57 PolarHBondContact O-N 3.32Å; C54-H57 VanDerWaalsContact O-N 3.12Å; C54-H57 PolarHBondContact SG-CD2 3.11Å
55S87.7Confident83Confident22 Ų2268.6 Ų68.615%0.15432%0.319CS..G310 helixtrans-53.4-28.8-179.751.50000115S21 H57 F58S21-S55 PolarHBondContact N-OG 3.19Å; S21-S55 PolarHBondContact O-N 3.17Å; S21-S55 WeakPolarHBondContact OG-CB 3.3Å; S55-H57 PolarHBondContact O-N 2.98Å; S55-H57 VanDerWaalsContact O-N 3.11Å; S55-F58 PolarHBondContact O-N 3.07Å; S55-F58 VanDerWaalsContact O-O 3.09Å
56Q86.7Confident82.4Confident108 Ų10875.9 Ų75.951%0.50535%0.353SS..G310 helixtrans-59.4-22.4178.6-67.7-177.4-14.300114.2N12 C54 F58N12-Q56 PolarHBondContact ND2-OE1 3.39Å; C54-Q56 PolarHBondContact O-N 3.38Å; C54-Q56 VanDerWaalsContact O-N 3.07Å; Q56-F58 VanDerWaalsContact C-N 3.31Å
57H87.9Confident81.8Confident17 Ų1768.9 Ų68.98%0.07933%0.326CS..G310 helixtrans-86-5.9178-63.3-61.3000113.3A7 C10 I53 C54 S55 P78 S79 L80 F81A7-H57 WeakPolarHBondContact CB-NE2 3.3Å; C10-H57 PolarHBondContact SG-NE2 3.12Å; C10-H57 VanDerWaalsContact SG-NE2 3.39Å; I53-H57 HydrophobicContact CG2-CB 3.6Å; C54-H57 PolarHBondContact O-N 3.32Å; C54-H57 VanDerWaalsContact O-N 3.12Å; C54-H57 PolarHBondContact SG-CD2 3.11Å; S55-H57 PolarHBondContact O-N 2.98Å; S55-H57 VanDerWaalsContact O-N 3.11Å; H57-P78 HydrophobicContact CB-CB 3.96Å; H57-P78 CarbonylContact O-C 3.47Å; H57-P78 WeakPolarHBondContact O-CA 3.19Å; H57-P78 WeakPolarHBondContact O-CB 3.24Å; H57-S79 PolarHBondContact O-N 3.27Å; H57-S79 VanDerWaalsContact O-N 3.08Å; H57-L80 PolarHBondContact ND1-O 3.48Å; H57-L80 PolarHBondContact O-N 2.88Å; H57-F81 AromaticContact ND1-CD1 3.82Å
58F86.4Confident81.1Confident8 Ų873.1 Ų73.14%0.03535%0.347CS..SBendtrans-111.6141.7180-61.2-85.5000110H23 W36 I53 S55 Q56 C62 F63 L72 P78H23-F58 HydrophobicContact CB-CE2 4.44Å; W36-F58 HydrophobicContact CD2-CE1 4.48Å; W36-F58 HydrophobicContact CD2-CZ 4.31Å; W36-F58 AromaticContact CE2-CE1 3.8Å; W36-F58 AromaticContact CE2-CZ 3.96Å; W36-F58 HydrophobicContact CE3-CZ 4.17Å; W36-F58 AromaticContact CH2-CE1 3.85Å; W36-F58 HydrophobicContact CH2-CE1 3.85Å; W36-F58 HydrophobicContact CH2-CE2 4.32Å; W36-F58 AromaticContact CH2-CZ 3.33Å; W36-F58 HydrophobicContact CH2-CZ 3.33Å; W36-F58 AromaticContact CZ2-CE1 3.47Å; W36-F58 HydrophobicContact CZ2-CE1 3.47Å; W36-F58 VanDerWaalsContact CZ2-CE1 3.47Å; W36-F58 AromaticContact CZ2-CZ 3.49Å; W36-F58 HydrophobicContact CZ2-CZ 3.49Å; W36-F58 VanDerWaalsContact CZ2-CZ 3.49Å; W36-F58 HydrophobicContact CZ3-CE1 4.47Å; W36-F58 AromaticContact CZ3-CZ 3.69Å; W36-F58 HydrophobicContact CZ3-CZ 3.69Å; I53-F58 HydrophobicContact CB-CE2 3.85Å; I53-F58 HydrophobicContact CB-CZ 4.14Å; I53-F58 HydrophobicContact CG2-CD2 4.43Å; I53-F58 HydrophobicContact CG2-CE2 3.55Å; I53-F58 HydrophobicContact CG2-CZ 4.04Å; S55-F58 PolarHBondContact O-N 3.07Å; S55-F58 VanDerWaalsContact O-O 3.09Å; Q56-F58 VanDerWaalsContact C-N 3.31Å; F58-C62 HydrophobicContact CB-CB 4.19Å; F58-C62 HydrophobicContact CD1-CB 4.36Å; F58-F63 HydrophobicContact CB-CE2 3.76Å; F58-F63 HydrophobicContact CB-CZ 3.66Å; F58-F63 HydrophobicContact CG-CZ 4.35Å; F58-L72 HydrophobicContact CB-CD2 4.16Å; F58-L72 HydrophobicContact CD1-CD1 3.92Å; F58-L72 HydrophobicContact CD1-CD2 3.67Å; F58-L72 HydrophobicContact CD1-CG 4.49Å; F58-L72 HydrophobicContact CD2-CD1 4.35Å; F58-L72 HydrophobicContact CD2-CD2 4.33Å; F58-L72 HydrophobicContact CE1-CD1 3.5Å; F58-L72 VanDerWaalsContact CE1-CD1 3.5Å; F58-L72 HydrophobicContact CE1-CD2 4.14Å; F58-L72 HydrophobicContact CE1-CG 4.49Å; F58-L72 HydrophobicContact CE2-CD1 3.98Å; F58-L72 HydrophobicContact CG-CD1 4.33Å; F58-L72 HydrophobicContact CG-CD2 3.79Å; F58-L72 HydrophobicContact CZ-CD1 3.55Å; F58-P78 HydrophobicContact CD1-CB 4.19Å; F58-P78 HydrophobicContact CE1-CB 3.77Å; F58-P78 HydrophobicContact CE1-CG 4.12Å; F58-P78 HydrophobicContact CE2-CB 4.4Å; F58-P78 HydrophobicContact CZ-CB 3.87Å; F58-P78 HydrophobicContact CZ-CG 4.18Å
59T83.3Confident80.3Confident45 Ų4572.7 Ų72.728%0.27634%0.342SS..  trans-71.8154.2168.356.80000110.1D61 C62 F63 L80T59-D61 PolarHBondContact O-N 2.8Å; T59-D61 VanDerWaalsContact O-N 3.1Å; T59-C62 VanDerWaalsContact O-CB 3.29Å; T59-C62 WeakPolarHBondContact O-CB 3.49Å; T59-C62 PolarHBondContact O-N 3.28Å; T59-C62 PolarHBondContact OG1-SG 3.42Å; T59-F63 VanDerWaalsContact O-CD2 3.25Å; T59-F63 WeakPolarHBondContact O-CD2 3.18Å; T59-F63 VanDerWaalsContact O-CE2 3.26Å; T59-F63 WeakPolarHBondContact O-CE2 3.29Å; T59-L80 HydrophobicContact CG2-CD1 4.17Å; T59-L80 HydrophobicContact CG2-CG 4.29Å
60Q79Confident79.7Confident160 Ų16073.3 Ų73.375%0.74834%0.341SS*.G310 helixtrans-58-26.8177.7-70.1-176.3-0.900112.5C62 F63Q60-C62 VanDerWaalsContact C-N 3.27Å; Q60-C62 PolarHBondContact O-N 3.4Å; Q60-F63 WeakPolarHBondContact O-CD2 3.26Å; Q60-F63 PolarHBondContact O-N 2.79Å
61D80.3Confident79.3Confident122 Ų12269.5 Ų69.565%0.65233%0.333SS*.G310 helixtrans-70.6-21.3177-59.7-48.6000114.1T59 F63 K73T59-D61 PolarHBondContact O-N 2.8Å; T59-D61 VanDerWaalsContact O-N 3.1Å; D61-F63 PolarHBondContact O-N 2.97Å; D61-K73 WeakPolarHBondContact O-CD 3.25Å; D61-K73 WeakPolarHBondContact O-CE 3.23Å; D61-K73 PolarHBondContact O-NZ 3.2Å
62C80.1Confident79.1Confident19 Ų1970.2 Ų70.213%0.12834%0.336CS..G310 helixtrans-72.8-10.4176.7-71.50000112.4F58 T59 Q60 L72 K73 A76F58-C62 HydrophobicContact CB-CB 4.19Å; F58-C62 HydrophobicContact CD1-CB 4.36Å; T59-C62 VanDerWaalsContact O-CB 3.29Å; T59-C62 WeakPolarHBondContact O-CB 3.49Å; T59-C62 PolarHBondContact O-N 3.28Å; T59-C62 PolarHBondContact OG1-SG 3.42Å; Q60-C62 VanDerWaalsContact C-N 3.27Å; Q60-C62 PolarHBondContact O-N 3.4Å; C62-L72 HydrophobicContact CB-CD2 4.11Å; C62-L72 CarbonylContact O-C 3.48Å; C62-L72 WeakPolarHBondContact O-CA 3.44Å; C62-K73 WeakPolarHBondContact O-CB 3.18Å; C62-K73 PolarHBondContact O-N 3.28Å; C62-A76 HydrophobicContact CB-CB 3.73Å
63F83.3Confident78.6Confident8 Ų874.3 Ų74.34%0.03535%0.354CS..BIsolated β-bridgetrans-94.6145.7-179.1-62.6-81000112.1H23 F58 T59 Q60 D61 R65 N69 L72 K73H23-F63 AromaticContact CE1-CE1 3.73Å; H23-F63 AromaticContact NE2-CE1 3.44Å; H23-F63 WeakPolarHBondContact NE2-CE1 3.28Å; F58-F63 HydrophobicContact CB-CE2 3.76Å; F58-F63 HydrophobicContact CB-CZ 3.66Å; F58-F63 HydrophobicContact CG-CZ 4.35Å; T59-F63 VanDerWaalsContact O-CD2 3.25Å; T59-F63 WeakPolarHBondContact O-CD2 3.18Å; T59-F63 VanDerWaalsContact O-CE2 3.26Å; T59-F63 WeakPolarHBondContact O-CE2 3.29Å; Q60-F63 WeakPolarHBondContact O-CD2 3.26Å; Q60-F63 PolarHBondContact O-N 2.79Å; D61-F63 PolarHBondContact O-N 2.97Å; F63-R65 PolarHBondContact O-N 3.25Å; F63-N69 HydrophobicContact CB-CB 4.1Å; F63-N69 VanDerWaalsContact CD1-CA 3.48Å; F63-N69 HydrophobicContact CD1-CB 3.61Å; F63-N69 WeakPolarHBondContact CD1-O 3.4Å; F63-N69 HydrophobicContact CD2-CB 4.25Å; F63-N69 HydrophobicContact CE1-CB 4.05Å; F63-N69 WeakPolarHBondContact CE1-O 3.49Å; F63-N69 HydrophobicContact CG-CB 3.7Å; F63-L72 HydrophobicContact CD1-CD2 3.61Å; F63-L72 HydrophobicContact CD1-CG 4.39Å; F63-L72 HydrophobicContact CE1-CD2 3.45Å; F63-L72 VanDerWaalsContact CE1-CD2 3.45Å; F63-L72 HydrophobicContact CE1-CG 4.26Å; F63-L72 HydrophobicContact CG-CD2 4.25Å; F63-L72 HydrophobicContact CZ-CD2 3.96Å; F63-K73 VanDerWaalsContact O-CE 3.26Å; F63-K73 WeakPolarHBondContact O-CE 3.21Å
64K79.1Confident77.8Confident78 Ų7878.2 Ų78.234%0.33937%0.374SS..  trans-72.3121.9169.8-62.5-177.2-177.7-175.20107.5E66 C67 V71 L72 K73 D74K64-E66 PolarHBondContact O-N 3.45Å; K64-E66 VanDerWaalsContact O-N 3.12Å; K64-C67 PolarHBondContact O-N 3.39Å; K64-C67 VanDerWaalsContact O-N 3.14Å; K64-C67 PolarHBondContact O-SG 3.34Å; K64-V71 HydrophobicContact CD-CG1 4.09Å; K64-V71 PolarHBondContact N-O 2.98Å; K64-L72 WeakPolarHBondContact CE-O 3.35Å; K64-K73 HydrophobicContact CG-CG 3.78Å; K64-D74 WeakPolarHBondContact CE-OD1 3.3Å; K64-D74 IonicContact NZ-OD1 3.74Å; K64-D74 PolarHBondContact NZ-OD1 3.33Å
65R70.4Confident77.1Confident239 Ų23984.7 Ų84.790%0.90241%0.409SS*.G310 helixtrans-57.6-30.2-176.1-175.8175.2-71.8-172.6-2112.7F63 C67F63-R65 PolarHBondContact O-N 3.25Å; R65-C67 VanDerWaalsContact C-N 3.31Å; R65-C67 PolarHBondContact O-N 3.5Å
66E68.3Low76.9Confident191 Ų19183.8 Ų83.889%0.89340%0.403SS*.G310 helixtrans-73-18.3-177.4-168.7169.1-158.700114.2K64K64-E66 PolarHBondContact O-N 3.45Å; K64-E66 VanDerWaalsContact O-N 3.12Å
67C65.9Low76.7Confident30 Ų3080.5 Ų80.520%0.20339%0.39CS..G310 helixtrans-113.320.9-17072.10000114.5K64 R65 N69 R70 V71K64-C67 PolarHBondContact O-N 3.39Å; K64-C67 VanDerWaalsContact O-N 3.14Å; K64-C67 PolarHBondContact O-SG 3.34Å; R65-C67 VanDerWaalsContact C-N 3.31Å; R65-C67 PolarHBondContact O-N 3.5Å; C67-N69 VanDerWaalsContact C-N 3.28Å; C67-N69 PolarHBondContact O-N 3.47Å; C67-R70 VanDerWaalsContact O-CB 3.22Å; C67-R70 WeakPolarHBondContact O-CB 3.46Å; C67-R70 VanDerWaalsContact O-CG 3.29Å; C67-R70 WeakPolarHBondContact O-CG 3.38Å; C67-R70 PolarHBondContact O-N 2.92Å; C67-V71 HydrophobicContact CB-CB 4.05Å; C67-V71 HydrophobicContact CB-CG2 3.85Å; C67-V71 VanDerWaalsContact SG-CA 3.55Å; C67-V71 WeakPolarHBondContact SG-CB 3.41Å; C67-V71 PolarHBondContact SG-N 3.23Å; C67-V71 PolarHBondContact SG-O 3.29Å
68N65.3Low76.4Confident124 Ų12479.8 Ų79.866%0.66339%0.387SS*.THydrogen-bonded Turntrans5046.1177.4-152.3-77.6000113R70N68-R70 PolarHBondContact O-N 3.09Å
69N66.8Low76Confident62 Ų6283.1 Ų83.133%0.33241%0.411SS..THydrogen-bonded Turntrans60.214.8-178.5-5819000115.7H23 F63 C67H23-N69 PolarHBondContact CE1-O 3.37Å; F63-N69 HydrophobicContact CB-CB 4.1Å; F63-N69 VanDerWaalsContact CD1-CA 3.48Å; F63-N69 HydrophobicContact CD1-CB 3.61Å; F63-N69 WeakPolarHBondContact CD1-O 3.4Å; F63-N69 HydrophobicContact CD2-CB 4.25Å; F63-N69 HydrophobicContact CE1-CB 4.05Å; F63-N69 WeakPolarHBondContact CE1-O 3.49Å; F63-N69 HydrophobicContact CG-CB 3.7Å; C67-N69 VanDerWaalsContact C-N 3.28Å; C67-N69 PolarHBondContact O-N 3.47Å
70R67.9Low75.5Confident141 Ų14185.2 Ų85.253%0.53242%0.42SS..SBendtrans-80-29.4176.5-60.3176.672.5-172.58.9112.6H23 C67 N68 D135H23-R70 PolarHBondContact CE1-O 3.24Å; H23-R70 VanDerWaalsContact CE1-O 3.24Å; H23-R70 PolarHBondContact ND1-O 2.96Å; C67-R70 VanDerWaalsContact O-CB 3.22Å; C67-R70 WeakPolarHBondContact O-CB 3.46Å; C67-R70 VanDerWaalsContact O-CG 3.29Å; C67-R70 WeakPolarHBondContact O-CG 3.38Å; C67-R70 PolarHBondContact O-N 2.92Å; N68-R70 PolarHBondContact O-N 3.09Å; R70-D135 IonicContact CZ-OD2 3.83Å; R70-D135 IonicContact NH1-OD2 3.33Å; R70-D135 PolarHBondContact NH1-OD2 3.42Å; R70-D135 IonicContact NH2-OD2 3.95Å
71V74.2Confident75.3Confident69 Ų6978.9 Ų78.942%0.41839%0.39SS..SBendtrans-118.1127.7-177.7-169.40000110.2K64 C67K64-V71 HydrophobicContact CD-CG1 4.09Å; K64-V71 PolarHBondContact N-O 2.98Å; C67-V71 HydrophobicContact CB-CB 4.05Å; C67-V71 HydrophobicContact CB-CG2 3.85Å; C67-V71 VanDerWaalsContact SG-CA 3.55Å; C67-V71 WeakPolarHBondContact SG-CB 3.41Å; C67-V71 PolarHBondContact SG-N 3.23Å; C67-V71 PolarHBondContact SG-O 3.29Å
72L81.3Confident74.5Confident21 Ų2177.1 Ų77.111%0.1140%0.401CS..BIsolated β-bridgetrans-78.9145.6173.4-70.7169.6000110.4H23 W36 F58 C62 F63 K64 A76H23-L72 HydrophobicContact CB-CD1 3.57Å; H23-L72 HydrophobicContact CB-CG 4.35Å; W36-L72 HydrophobicContact CH2-CD1 3.37Å; W36-L72 HydrophobicContact CZ2-CD1 3.4Å; F58-L72 HydrophobicContact CB-CD2 4.16Å; F58-L72 HydrophobicContact CD1-CD1 3.92Å; F58-L72 HydrophobicContact CD1-CD2 3.67Å; F58-L72 HydrophobicContact CD1-CG 4.49Å; F58-L72 HydrophobicContact CD2-CD1 4.35Å; F58-L72 HydrophobicContact CD2-CD2 4.33Å; F58-L72 HydrophobicContact CE1-CD1 3.5Å; F58-L72 VanDerWaalsContact CE1-CD1 3.5Å; F58-L72 HydrophobicContact CE1-CD2 4.14Å; F58-L72 HydrophobicContact CE1-CG 4.49Å; F58-L72 HydrophobicContact CE2-CD1 3.98Å; F58-L72 HydrophobicContact CG-CD1 4.33Å; F58-L72 HydrophobicContact CG-CD2 3.79Å; F58-L72 HydrophobicContact CZ-CD1 3.55Å; C62-L72 HydrophobicContact CB-CD2 4.11Å; C62-L72 CarbonylContact O-C 3.48Å; C62-L72 WeakPolarHBondContact O-CA 3.44Å; F63-L72 HydrophobicContact CD1-CD2 3.61Å; F63-L72 HydrophobicContact CD1-CG 4.39Å; F63-L72 HydrophobicContact CE1-CD2 3.45Å; F63-L72 VanDerWaalsContact CE1-CD2 3.45Å; F63-L72 HydrophobicContact CE1-CG 4.26Å; F63-L72 HydrophobicContact CG-CD2 4.25Å; F63-L72 HydrophobicContact CZ-CD2 3.96Å; K64-L72 WeakPolarHBondContact CE-O 3.35Å; L72-A76 HydrophobicContact CB-CB 3.78Å; L72-A76 HydrophobicContact CD2-CB 4.01Å; L72-A76 HydrophobicContact CG-CB 4.33Å
73K79.3Confident73.5Confident97 Ų9779 Ų7942%0.42241%0.407SS..  trans-61.9159.3169.3-74.6-179.8-176.8161.40110.2D61 C62 F63 K64 N75 A76D61-K73 WeakPolarHBondContact O-CD 3.25Å; D61-K73 WeakPolarHBondContact O-CE 3.23Å; D61-K73 PolarHBondContact O-NZ 3.2Å; C62-K73 WeakPolarHBondContact O-CB 3.18Å; C62-K73 PolarHBondContact O-N 3.28Å; F63-K73 VanDerWaalsContact O-CE 3.26Å; F63-K73 WeakPolarHBondContact O-CE 3.21Å; K64-K73 HydrophobicContact CG-CG 3.78Å; K73-N75 PolarHBondContact O-N 3.08Å; K73-A76 WeakPolarHBondContact O-CB 3.08Å; K73-A76 PolarHBondContact O-N 3.13Å
74D72.4Confident71.8Confident82 Ų8282 Ų8244%0.43944%0.44SS..THydrogen-bonded Turntrans-63.5-32.4-174.5-65.29.8000110.9R29 V32 K64R29-D74 VanDerWaalsContact NH1-C 3.31Å; R29-D74 PolarHBondContact NH1-O 3.41Å; R29-D74 VanDerWaalsContact NH2-CA 3.26Å; R29-D74 PolarHBondContact NH2-O 3.29Å; V32-D74 WeakPolarHBondContact CG2-O 3.39Å; K64-D74 WeakPolarHBondContact CE-OD1 3.3Å; K64-D74 IonicContact NZ-OD1 3.74Å; K64-D74 PolarHBondContact NZ-OD1 3.33Å
75N74.6Confident70.1Confident136 Ų13685 Ų8573%0.72746%0.459SS*.THydrogen-bonded Turntrans-97.211.5178.3-59.7-46.5000114.1K73 V77K73-N75 PolarHBondContact O-N 3.08Å; N75-V77 PolarHBondContact O-N 3.09Å
76A83.2Confident68.7Low3 Ų378.4 Ų78.43%0.02545%0.45CS..  trans-64.6128.3-179.600000110.7V32 W36 C62 L72 K73V32-A76 WeakPolarHBondContact CG1-O 3.47Å; W36-A76 PolarHBondContact NE1-O 2.91Å; C62-A76 HydrophobicContact CB-CB 3.73Å; L72-A76 HydrophobicContact CB-CB 3.78Å; L72-A76 HydrophobicContact CD2-CB 4.01Å; L72-A76 HydrophobicContact CG-CB 4.33Å; K73-A76 WeakPolarHBondContact O-CB 3.08Å; K73-A76 PolarHBondContact O-N 3.13Å
77V82.8Confident67.5Low39 Ų3976.4 Ų76.424%0.23644%0.442CS..  trans-130.4133.5173.7-179.10000106.8K35 A39 N75 S79K35-V77 HydrophobicContact CB-CG1 3.92Å; K35-V77 HydrophobicContact CB-CG2 3.78Å; K35-V77 HydrophobicContact CD-CG2 3.84Å; K35-V77 HydrophobicContact CG-CG2 4.44Å; A39-V77 HydrophobicContact CB-CG1 4.18Å; N75-V77 PolarHBondContact O-N 3.09Å; V77-S79 PolarHBondContact O-N 3.43Å
78P80.5Confident66Low1 Ų183.7 Ų83.71%0.00647%0.47CS..  trans-65120175.427.8-32.3000108.1W36 A39 I53 H57 F58 F81W36-P78 HydrophobicContact CB-CG 4.22Å; W36-P78 HydrophobicContact CD2-CG 4.13Å; W36-P78 VanDerWaalsContact CG-CD 3.42Å; W36-P78 HydrophobicContact CG-CG 3.95Å; A39-P78 HydrophobicContact CB-CG 4.29Å; A39-P78 WeakPolarHBondContact CB-O 3.24Å; I53-P78 HydrophobicContact CD1-CB 4.46Å; I53-P78 HydrophobicContact CD1-CG 3.91Å; I53-P78 HydrophobicContact CG2-CB 4.48Å; H57-P78 HydrophobicContact CB-CB 3.96Å; H57-P78 CarbonylContact O-C 3.47Å; H57-P78 WeakPolarHBondContact O-CA 3.19Å; H57-P78 WeakPolarHBondContact O-CB 3.24Å; F58-P78 HydrophobicContact CD1-CB 4.19Å; F58-P78 HydrophobicContact CE1-CB 3.77Å; F58-P78 HydrophobicContact CE1-CG 4.12Å; F58-P78 HydrophobicContact CE2-CB 4.4Å; F58-P78 HydrophobicContact CZ-CB 3.87Å; F58-P78 HydrophobicContact CZ-CG 4.18Å; P78-F81 HydrophobicContact CB-CE2 3.54Å; P78-F81 HydrophobicContact CB-CZ 3.63Å; P78-F81 HydrophobicContact CG-CE2 3.69Å; P78-F81 HydrophobicContact CG-CZ 3.69Å; P78-F81 VanDerWaalsContact O-CE2 3.3Å; P78-F81 WeakPolarHBondContact O-CE2 3.44Å
79S77.8Confident64.9Low78 Ų7882.2 Ų82.255%0.54548%0.475SS..  trans-112.4-18-178.155.90000112.1H57 V77 F81H57-S79 PolarHBondContact O-N 3.27Å; H57-S79 VanDerWaalsContact O-N 3.08Å; V77-S79 PolarHBondContact O-N 3.43Å; S79-F81 PolarHBondContact O-N 2.93Å
80L74.2Confident63.5Low90 Ų9087.7 Ų87.747%0.47150%0.499SS..  trans-96.173.3-175-57.5176.8000110.2H57 T59H57-L80 PolarHBondContact ND1-O 3.48Å; H57-L80 PolarHBondContact O-N 2.88Å; T59-L80 HydrophobicContact CG2-CD1 4.17Å; T59-L80 HydrophobicContact CG2-CG 4.29Å
81F73.5Confident62Low26 Ų2686.6 Ų86.611%0.11451%0.513CS..  trans-107.1126.8167.5-65.7-84.5000108.8A7 A39 M40 I53 H57 P78 S79 F83A7-F81 HydrophobicContact CB-CD1 4.12Å; A7-F81 HydrophobicContact CB-CE1 3.62Å; A39-F81 VanDerWaalsContact C-CE2 3.43Å; A39-F81 HydrophobicContact CB-CD2 4.24Å; A39-F81 HydrophobicContact CB-CE2 3.59Å; A39-F81 HydrophobicContact CB-CZ 4.48Å; A39-F81 WeakPolarHBondContact O-CD2 3.4Å; A39-F81 VanDerWaalsContact O-CE2 3.3Å; A39-F81 WeakPolarHBondContact O-CE2 3.38Å; M40-F81 HydrophobicContact CB-CE1 4.41Å; M40-F81 HydrophobicContact CB-CZ 4.29Å; M40-F81 HydrophobicContact CG-CE1 3.69Å; M40-F81 HydrophobicContact CG-CE2 4.46Å; M40-F81 HydrophobicContact CG-CZ 3.48Å; M40-F81 VanDerWaalsContact CG-CZ 3.48Å; I53-F81 HydrophobicContact CD1-CZ 4.47Å; H57-F81 AromaticContact ND1-CD1 3.82Å; P78-F81 HydrophobicContact CB-CE2 3.54Å; P78-F81 HydrophobicContact CB-CZ 3.63Å; P78-F81 HydrophobicContact CG-CE2 3.69Å; P78-F81 HydrophobicContact CG-CZ 3.69Å; P78-F81 VanDerWaalsContact O-CE2 3.3Å; P78-F81 WeakPolarHBondContact O-CE2 3.44Å; S79-F81 PolarHBondContact O-N 2.93Å; F81-F83 HydrophobicContact CB-CD2 3.3Å; F81-F83 HydrophobicContact CB-CE2 2.98Å; F81-F83 HydrophobicContact CB-CG 4.22Å; F81-F83 HydrophobicContact CB-CZ 3.67Å; F81-F83 HydrophobicContact CD1-CE2 4.13Å; F81-F83 HydrophobicContact CD1-CZ 4.1Å; F81-F83 AromaticContact CD2-CE2 3.91Å; F81-F83 HydrophobicContact CD2-CE2 3.91Å; F81-F83 HydrophobicContact CG-CD2 4.24Å; F81-F83 AromaticContact CG-CE2 3.44Å; F81-F83 HydrophobicContact CG-CE2 3.44Å; F81-F83 VanDerWaalsContact CG-CE2 3.44Å; F81-F83 AromaticContact CG-CZ 3.89Å; F81-F83 HydrophobicContact CG-CZ 3.89Å; F81-F83 PolarHBondContact O-N 3.47Å
82G64.6Low61Low85 Ų8589.9 Ų89.988%0.87653%0.527SS*.  trans-71.855.5175.100000112.4G84G82-G84 PolarHBondContact O-N 3.27Å
83F58Low59Low60 Ų6097.1 Ų97.126%0.26356%0.56SS.*  trans-75.476.3169.4-61.2-67.3000108.8Y8 A39 M40 R41 F81 L85Y8-F83 HydrophobicContact CD1-CD1 4.35Å; Y8-F83 AromaticContact CD1-CE1 3.99Å; Y8-F83 HydrophobicContact CD1-CE1 3.99Å; Y8-F83 HydrophobicContact CG-CE1 4.21Å; A39-F83 WeakPolarHBondContact O-CE2 3.26Å; M40-F83 VanDerWaalsContact C-CZ 3.49Å; M40-F83 VanDerWaalsContact O-CZ 3.24Å; M40-F83 WeakPolarHBondContact O-CZ 3.32Å; R41-F83 HydrophobicContact CB-CD1 4.46Å; R41-F83 HydrophobicContact CB-CE1 3.82Å; R41-F83 HydrophobicContact CB-CE2 4.07Å; R41-F83 HydrophobicContact CB-CZ 3.63Å; R41-F83 HydrophobicContact CG-CD2 4.21Å; R41-F83 HydrophobicContact CG-CE1 4.31Å; R41-F83 HydrophobicContact CG-CE2 3.7Å; R41-F83 HydrophobicContact CG-CZ 3.82Å; F81-F83 HydrophobicContact CB-CD2 3.3Å; F81-F83 HydrophobicContact CB-CE2 2.98Å; F81-F83 HydrophobicContact CB-CG 4.22Å; F81-F83 HydrophobicContact CB-CZ 3.67Å; F81-F83 HydrophobicContact CD1-CE2 4.13Å; F81-F83 HydrophobicContact CD1-CZ 4.1Å; F81-F83 AromaticContact CD2-CE2 3.91Å; F81-F83 HydrophobicContact CD2-CE2 3.91Å; F81-F83 HydrophobicContact CG-CD2 4.24Å; F81-F83 AromaticContact CG-CE2 3.44Å; F81-F83 HydrophobicContact CG-CE2 3.44Å; F81-F83 VanDerWaalsContact CG-CE2 3.44Å; F81-F83 AromaticContact CG-CZ 3.89Å; F81-F83 HydrophobicContact CG-CZ 3.89Å; F81-F83 PolarHBondContact O-N 3.47Å; F83-L85 PolarHBondContact O-N 2.86Å
84G48.3Very low57.4Low71 Ų7199.7 Ų99.773%0.73258%0.579SS**SBendtrans5024147.800000119.6G82G82-G84 PolarHBondContact O-N 3.27Å
85L42.6Very low56.3Low140 Ų140100.4 Ų100.473%0.73359%0.588SS**  trans-100.885148.9-66.4-174000105.9F83 M87F83-L85 PolarHBondContact O-N 2.86Å; L85-M87 HydrophobicContact CB-CG 4.31Å; L85-M87 HydrophobicContact CD2-CE 4.3Å; L85-M87 PolarHBondContact O-N 3.35Å
86S41.6Very low54.1Low100 Ų100103 Ų10370%0.69959%0.593SS**  trans-57.473.2146.1171.70000108K88S86-K88 PolarHBondContact O-N 3.17Å; S86-K88 VanDerWaalsContact O-N 3.16Å
87M42.3Very low51.8Low150 Ų150107.5 Ų107.574%0.73963%0.625SS**  trans-82.276.6148.8-64.8-61.8160.300104.5L85 A89L85-M87 HydrophobicContact CB-CG 4.31Å; L85-M87 HydrophobicContact CD2-CE 4.3Å; L85-M87 PolarHBondContact O-N 3.35Å; M87-A89 PolarHBondContact O-N 2.79Å; M87-A89 VanDerWaalsContact O-N 3.08Å
88K35.7Very low49.8Very low182 Ų182109.6 Ų109.679%0.79164%0.641SS**  trans-44.6113.8147.1-128179.6178179.80104.4S86 E90S86-K88 PolarHBondContact O-N 3.17Å; S86-K88 VanDerWaalsContact O-N 3.16Å; K88-E90 PolarHBondContact O-N 2.75Å
89A41.2Very low47.9Very low93 Ų93118.1 Ų118.177%0.76968%0.681SS**  trans-54.3113.516000000106M87M87-A89 PolarHBondContact O-N 2.79Å; M87-A89 VanDerWaalsContact O-N 3.08Å
90E38.8Very low46.2Very low178 Ų178121.4 Ų121.483%0.83269%0.691SS**  trans18.7105.9159.3-63.6175.7121.500116.8K88K88-E90 PolarHBondContact O-N 2.75Å
91S34.9Very low44Very low117 Ų117124 Ų12482%0.81871%0.705SS**  -136.6106123.6-173.80000105.9E93S91-E93 PolarHBondContact O-N 3.38Å
92L52.9Low42.1Very low139 Ų139131.7 Ų131.773%0.72874%0.739SS**  trans-51.7128.6161-80.7151000108.2
93E40.2Very low40.9Very low172 Ų172131.9 Ų131.980%0.80472%0.724SS**  -175.7111.2119.7-77.9-51.487.800107.3S91S91-E93 PolarHBondContact O-N 3.38Å
94N45.6Very low40.1Very low151 Ų151135.9 Ų135.981%0.80775%0.748SS**  trans-78.8-178.2164.3-106.559.7000109.1
95P49.8Very low39.7Very low98 Ų98138.3 Ų138.364%0.63675%0.751SS**  cis-140.9-173.6-14.632.4-9000114.6
96F27.5Very low39.5Very low190 Ų190138.2 Ų138.283%0.83375%0.75SS**  trans77.5134.3166-93-102.1000117
97S35.6Very low39.4Very low98 Ų98139.1 Ų139.169%0.68575%0.753SS**  cis-144.4128.130.6-84.60000113.4
98S41.3Very low39Very low82 Ų82137.9 Ų137.957%0.57375%0.754SS**  22127.8123.459.90000122
99E39Very low38.7Very low181 Ų181135.5 Ų135.585%0.84676%0.755SS**  trans83.7138.3145.6-33.7-134.7151.300116.5
100I42.7Very low38.3Very low147 Ų147135.5 Ų135.575%0.75475%0.75SS**  -167.6142.353-72.8178.3000110.7
101D28.7Very low37.9Very low144 Ų144134.1 Ų134.177%0.7775%0.748SS**  trans28.6124.7151.9-78.4-18.5000123.9
102F32.8Very low38.4Very low187 Ų187134 Ų13482%0.8274%0.744SS**  79149.183.2-159.8-106.3000113.4
103P40.3Very low37.3Very low89 Ų89131.7 Ų131.758%0.57875%0.745SS**  cis-130.5174-23.133.7-16000116.6
104L40.7Very low36.9Very low145 Ų145129.3 Ų129.376%0.75975%0.748SS**  trans-58.8157.4158.5-90.393.1000113.2L106L104-L106 HydrophobicContact CD2-CG 4.26Å
105P39.7Very low36.4Very low121 Ų121125.7 Ų125.779%0.78674%0.739SS**  -130.1126.9124.212.88000113.2
106L38.7Very low35.6Very low139 Ų139128.9 Ų128.973%0.72875%0.745SS**  trans-67149.1152.9-72.4157.9000109.2L104L104-L106 HydrophobicContact CD2-CG 4.26Å
107P39.3Very low35.9Very low118 Ų118127.2 Ų127.277%0.76674%0.74SS**  trans-113113.2139.56.213.5000109
108V32.9Very low35.8Very low124 Ų124126.9 Ų126.975%0.75274%0.743SS**  trans-69.1125158.2-173.50000106.7
109T29.7Very low35.2Very low133 Ų133126.9 Ų126.982%0.81676%0.756SS**  trans-136.7120.1150.856.80000108.8
110S32.3Very low34.7Very low93 Ų93122.1 Ų122.165%0.6576%0.756SS**  trans-64.3140.5-179.640.60000115.1
111D30.9Very low34.3Very low149 Ų149118.9 Ų118.980%0.79776%0.758SS**  trans68.1164.4135-67.9-33.3000121.3
112P45.9Very low35.1Very low114 Ų114118.5 Ų118.574%0.7476%0.764SS**  cis-142.7-179.9-4139.1-22000114.5
113A29.6Very low35.6Very low90 Ų90114.1 Ų114.174%0.74476%0.762SS**  trans79123.3143.100000122.5
114S31.2Very low35.6Very low123 Ų123114.9 Ų114.986%0.8678%0.776SS**  trans146.4143131.1-62.60000110
115A34.9Very low35.8Very low75 Ų75114.3 Ų114.362%0.6278%0.778SS**  cis172.9135.9-15.900000104.4
116E34.3Very low35.7Very low165 Ų165113.7 Ų113.777%0.77178%0.777SS**  trans58.5150.6151.9-52.1-36.398.100120.3
117E33.3Very low36.5Very low154 Ų154110 Ų11072%0.7277%0.772SS**  cis-172.7158.43.2-107.3-72.4102.200109.9
118A34Very low36.3Very low91 Ų91111.6 Ų111.675%0.75277%0.774SS**  trans44.3138.5146.700000125.5
119G28.5Very low37.2Very low83 Ų83114 Ų11486%0.85678%0.777SS**  trans166.6103.8152.200000115.7
120G28.3Very low38Very low81 Ų81113.9 Ų113.984%0.83577%0.771SS**  trans-72.3166.4-179.200000116.6
121G33.3Very low38.7Very low78 Ų78116.5 Ų116.580%0.80477%0.768SS**  trans-73.7-157.3-175.300000116.3
122P45.9Very low40Very low136 Ų136112.5 Ų112.588%0.88375%0.749SS**  cis-130.3-172.721.239.4-19.9000115.7
123A44.2Very low40.5Very low96 Ų96111 Ų11179%0.79375%0.746SS**  trans-68.2146.1-171.200000116.3
124A39.2Very low41.8Very low105 Ų105114 Ų11487%0.86875%0.745SS**  trans-131.6125.4146.900000109
125V45.4Very low43.4Very low132 Ų132110.5 Ų110.580%0.872%0.717SS**  trans-77.7142.8178.1164.10000109.7
126S38.2Very low45.2Very low108 Ų108109 Ų10976%0.75570%0.702SS**  trans169.8113.1136.8-84.20000106.4
127G54.6Low47.4Very low61 Ų61103 Ų10363%0.62968%0.68SS**  cis93.734.831.300000111.7
128D35.2Very low49.8Very low152 Ų15299.5 Ų99.581%0.81366%0.664SS**  trans-120.497.6168.2-70.8-50.6000111.4N130D128-N130 PolarHBondContact O-N 3.33Å
129H51.4Low52Low176 Ų17699.9 Ų99.982%0.81565%0.65SS**  trans-46.2116.5148.9-67.5-84000108.7Y131H129-Y131 PolarHBondContact O-N 3.28Å
130N47.8Very low54.8Low130 Ų130101.6 Ų101.670%0.69563%0.634SS**  trans-71.574.7163-168.119.1000108.7D128 T132D128-N130 PolarHBondContact O-N 3.33Å; N130-T132 PolarHBondContact O-N 3.37Å; N130-T132 WeakPolarHBondContact OD1-CG2 3.35Å; N130-T132 PolarHBondContact OD1-N 2.78Å
131Y47.1Very low57.8Low147 Ų147104.9 Ų104.958%0.57662%0.621SS**  trans-81.669.8158.7-159.9-86.1000106.1H129 A133 S136H129-Y131 PolarHBondContact O-N 3.28Å; Y131-A133 PolarHBondContact O-N 3.35Å; Y131-S136 WeakPolarHBondContact OH-CB 3.47Å; Y131-S136 PolarHBondContact OH-OG 3.5Å
132T57.8Low60.6Low65 Ų65107.4 Ų107.440%0.39961%0.606SS.*  trans-64.4136.8167.631.50000107.8N130 E134 D135N130-T132 PolarHBondContact O-N 3.37Å; N130-T132 WeakPolarHBondContact OD1-CG2 3.35Å; N130-T132 PolarHBondContact OD1-N 2.78Å; T132-E134 PolarHBondContact O-N 2.84Å; T132-D135 PolarHBondContact O-N 2.87Å
133A56.8Low62.8Low82 Ų82105.9 Ų105.968%0.67859%0.588SS**Hα-helixtrans-49.9-23.8178.900000113.3Y131 A137Y131-A133 PolarHBondContact O-N 3.35Å; A133-A137 WeakPolarHBondContact O-CB 3.22Å; A133-A137 PolarHBondContact O-N 3Å
134E56.2Low65.3Low154 Ų154105.5 Ų105.572%0.7257%0.57SS**Hα-helixtrans-64.2-38174.9-57.4-160.5143.300114.4T132 A137 Q138T132-E134 PolarHBondContact O-N 2.84Å; E134-A137 PolarHBondContact O-N 2.83Å; E134-Q138 PolarHBondContact O-N 2.88Å
135D64.3Low68Low50 Ų50105.9 Ų105.927%0.26755%0.554SS.*Hα-helixtrans-67-41.8178.1-168.556.3000110.4R70 T132 Q138 Q139R70-D135 IonicContact CZ-OD2 3.83Å; R70-D135 IonicContact NH1-OD2 3.33Å; R70-D135 PolarHBondContact NH1-OD2 3.42Å; R70-D135 IonicContact NH2-OD2 3.95Å; T132-D135 PolarHBondContact O-N 2.87Å; D135-Q138 PolarHBondContact O-N 3.26Å; D135-Q139 WeakPolarHBondContact O-CB 3.28Å; D135-Q139 PolarHBondContact O-N 3.44Å
136S72.7Confident70.4Confident44 Ų44104.5 Ų104.531%0.30854%0.542SS..Hα-helixtrans-64.5-42.1175.7-165.60000111.9Y131 Q139 K140Y131-S136 WeakPolarHBondContact OH-CB 3.47Å; Y131-S136 PolarHBondContact OH-OG 3.5Å; S136-Q139 PolarHBondContact O-N 3.18Å; S136-K140 WeakPolarHBondContact O-CB 3.44Å; S136-K140 PolarHBondContact O-N 3.02Å
137A82.2Confident73.2Confident37 Ų37104.8 Ų104.831%0.30653%0.531SS..Hα-helixtrans-66.3-40.2177.800000112.1A133 E134 K140 R141A133-A137 WeakPolarHBondContact O-CB 3.22Å; A133-A137 PolarHBondContact O-N 3Å; E134-A137 PolarHBondContact O-N 2.83Å; A137-K140 PolarHBondContact O-N 3.2Å; A137-R141 WeakPolarHBondContact O-CG 3.12Å; A137-R141 PolarHBondContact O-N 3.02Å
138Q83.5Confident75.2Confident82 Ų82108.6 Ų108.638%0.38353%0.532SS..Hα-helixtrans-66.2-41.6175.3-171.4176.629.600111.6E134 D135 R141 R142E134-Q138 PolarHBondContact O-N 2.88Å; D135-Q138 PolarHBondContact O-N 3.26Å; Q138-R141 PolarHBondContact O-N 3.07Å; Q138-R142 WeakPolarHBondContact O-CG 3.31Å; Q138-R142 PolarHBondContact O-N 2.67Å
139Q78.4Confident78.2Confident98 Ų98106.4 Ų106.446%0.45852%0.517SS..Hα-helixtrans-62.7-42.8176.1-171.7174.3-58.100111.5D135 S136 R142 M143D135-Q139 WeakPolarHBondContact O-CB 3.28Å; D135-Q139 PolarHBondContact O-N 3.44Å; S136-Q139 PolarHBondContact O-N 3.18Å; Q139-R142 PolarHBondContact O-N 3.04Å; Q139-M143 PolarHBondContact O-N 3.06Å
140K87.7Confident80.4Confident120 Ų120102.7 Ų102.752%0.52250%0.503SS..Hα-helixtrans-60.6-47.5176.4-165.3-170.2-179.4-148.70112S136 A137 R142 M143 E144S136-K140 WeakPolarHBondContact O-CB 3.44Å; S136-K140 PolarHBondContact O-N 3.02Å; A137-K140 PolarHBondContact O-N 3.2Å; K140-R142 VanDerWaalsContact C-N 3.31Å; K140-R142 PolarHBondContact O-N 3.37Å; K140-M143 WeakPolarHBondContact O-CB 3.41Å; K140-M143 PolarHBondContact O-N 3.48Å; K140-M143 VanDerWaalsContact O-N 3.1Å; K140-E144 WeakPolarHBondContact CE-OE1 3.41Å; K140-E144 IonicContact NZ-OE1 2.95Å; K140-E144 PolarHBondContact NZ-OE1 3.49Å; K140-E144 WeakPolarHBondContact O-CG 3.33Å; K140-E144 PolarHBondContact O-N 3.16Å
141R92.8Very high82.8Confident149 Ų149101.1 Ų101.156%0.56249%0.491SS*.Hα-helixtrans-58.6-41.8176.4-73.9-171.4-64.6-93.23.8112.5A137 Q138 M143 E144 Q145A137-R141 WeakPolarHBondContact O-CG 3.12Å; A137-R141 PolarHBondContact O-N 3.02Å; Q138-R141 PolarHBondContact O-N 3.07Å; R141-M143 VanDerWaalsContact C-N 3.33Å; R141-E144 PolarHBondContact O-N 3.3Å; R141-Q145 WeakPolarHBondContact O-CB 3.37Å; R141-Q145 PolarHBondContact O-N 3.38Å
142R90.6Very high85.3Confident132 Ų13298.3 Ų98.350%0.49849%0.486SS..Hα-helixtrans-63.8-39.5176.1-74177.2-179.7170.81.5111.9Q138 Q139 K140 L146Q138-R142 WeakPolarHBondContact O-CG 3.31Å; Q138-R142 PolarHBondContact O-N 2.67Å; Q139-R142 PolarHBondContact O-N 3.04Å; K140-R142 VanDerWaalsContact C-N 3.31Å; K140-R142 PolarHBondContact O-N 3.37Å; R142-L146 VanDerWaalsContact O-CG 3.31Å; R142-L146 WeakPolarHBondContact O-CG 3.39Å; R142-L146 PolarHBondContact O-N 3.32Å; R142-L146 VanDerWaalsContact O-N 3.07Å
143M93.7Very high87.2Confident104 Ų104100.4 Ų100.451%0.51249%0.494SS..Hα-helixtrans-63.9-49.7177.3-168.4173.17500111Q139 K140 R141 Q145 L146 E147Q139-M143 PolarHBondContact O-N 3.06Å; K140-M143 WeakPolarHBondContact O-CB 3.41Å; K140-M143 PolarHBondContact O-N 3.48Å; K140-M143 VanDerWaalsContact O-N 3.1Å; R141-M143 VanDerWaalsContact C-N 3.33Å; M143-Q145 VanDerWaalsContact C-N 3.32Å; M143-Q145 PolarHBondContact O-N 2.98Å; M143-L146 PolarHBondContact O-N 3Å; M143-E147 WeakPolarHBondContact O-CG 3.41Å; M143-E147 PolarHBondContact O-N 3.14Å
144E95.4Very high89.1Confident88 Ų88104.7 Ų104.741%0.41149%0.493SS..Hα-helixtrans-57.8-43.5176.7-70.2168.918000111.5K140 R141 L146 E147 E148K140-E144 WeakPolarHBondContact CE-OE1 3.41Å; K140-E144 IonicContact NZ-OE1 2.95Å; K140-E144 PolarHBondContact NZ-OE1 3.49Å; K140-E144 WeakPolarHBondContact O-CG 3.33Å; K140-E144 PolarHBondContact O-N 3.16Å; R141-E144 PolarHBondContact O-N 3.3Å; E144-L146 PolarHBondContact O-N 3.45Å; E144-E147 PolarHBondContact O-N 2.96Å; E144-E148 PolarHBondContact O-N 3.41Å
145Q97.1Very high91.1Very high113 Ų113104.4 Ų104.453%0.52849%0.485SS..Hα-helixtrans-63.3-39.6177.9-172178.39.900112.8R141 M143 Q149R141-Q145 WeakPolarHBondContact O-CB 3.37Å; R141-Q145 PolarHBondContact O-N 3.38Å; M143-Q145 VanDerWaalsContact C-N 3.32Å; M143-Q145 PolarHBondContact O-N 2.98Å; Q145-Q149 WeakPolarHBondContact O-CG 3.41Å; Q145-Q149 PolarHBondContact O-N 3.15Å; Q145-Q149 VanDerWaalsContact O-N 3.09Å
146L95.4Very high92.7Very high103 Ų103107.8 Ų107.854%0.53950%0.497SS..Hα-helixtrans-68.5-38.9177.1-74.2170.8000111.7R142 M143 E144 Q149 L150R142-L146 VanDerWaalsContact O-CG 3.31Å; R142-L146 WeakPolarHBondContact O-CG 3.39Å; R142-L146 PolarHBondContact O-N 3.32Å; R142-L146 VanDerWaalsContact O-N 3.07Å; M143-L146 PolarHBondContact O-N 3Å; E144-L146 PolarHBondContact O-N 3.45Å; L146-Q149 PolarHBondContact O-N 2.84Å; L146-L150 WeakPolarHBondContact O-CG 3.44Å; L146-L150 PolarHBondContact O-N 3.19Å
147E96.2Very high93.9Very high114 Ų114110.5 Ų110.553%0.53351%0.508SS..Hα-helixtrans-61.6-44.3175.7-71.9175.8166.400111.4M143 E144 Q149 L150 E151M143-E147 WeakPolarHBondContact O-CG 3.41Å; M143-E147 PolarHBondContact O-N 3.14Å; E144-E147 PolarHBondContact O-N 2.96Å; E147-Q149 PolarHBondContact O-N 3.45Å; E147-L150 PolarHBondContact O-N 2.73Å; E147-E151 PolarHBondContact O-N 3.31Å
148E98Very high94.7Very high141 Ų141115.8 Ų115.866%0.65952%0.524SS*.Hα-helixtrans-61.7-43.3175.9-172.1179.7-168.800111.8E144 L150 E151 L152E144-E148 PolarHBondContact O-N 3.41Å; E148-L150 VanDerWaalsContact C-N 3.34Å; E148-L150 PolarHBondContact O-N 2.68Å; E148-E151 PolarHBondContact O-N 2.91Å; E148-L152 PolarHBondContact O-N 3.05Å
149Q97.4Very high95.3Very high105 Ų105115.4 Ų115.449%0.49153%0.527SS..Hα-helixtrans-61.6-41.5175.7-76.4-171.4-22.700112.4Q145 L146 E147 E151 L152 L153Q145-Q149 WeakPolarHBondContact O-CG 3.41Å; Q145-Q149 PolarHBondContact O-N 3.15Å; Q145-Q149 VanDerWaalsContact O-N 3.09Å; L146-Q149 PolarHBondContact O-N 2.84Å; E147-Q149 PolarHBondContact O-N 3.45Å; Q149-E151 VanDerWaalsContact C-N 3.33Å; Q149-E151 PolarHBondContact O-N 2.76Å; Q149-L152 PolarHBondContact O-N 3.02Å; Q149-L153 WeakPolarHBondContact O-CB 3.36Å; Q149-L153 WeakPolarHBondContact O-CG 3.45Å; Q149-L153 PolarHBondContact O-N 2.9Å
150L98Very high96.2Very high99 Ų99113 Ų11352%0.51852%0.524SS..Hα-helixtrans-63-41175.8-74.6176.3000111.5L146 E147 E148 L153 R154L146-L150 WeakPolarHBondContact O-CG 3.44Å; L146-L150 PolarHBondContact O-N 3.19Å; E147-L150 PolarHBondContact O-N 2.73Å; E148-L150 VanDerWaalsContact C-N 3.34Å; E148-L150 PolarHBondContact O-N 2.68Å; L150-L153 PolarHBondContact O-N 3.11Å; L150-R154 WeakPolarHBondContact O-CB 3.18Å; L150-R154 VanDerWaalsContact O-CG 3.28Å; L150-R154 WeakPolarHBondContact O-CG 3.3Å; L150-R154 PolarHBondContact O-N 3.31Å
151E98.3Very high96.7Very high97 Ų97112.6 Ų112.645%0.45352%0.524SS..Hα-helixtrans-65.1-44.7177.4-160.7-173.8168.900111.6E147 E148 Q149 L153 R154 R155E147-E151 PolarHBondContact O-N 3.31Å; E148-E151 PolarHBondContact O-N 2.91Å; Q149-E151 VanDerWaalsContact C-N 3.33Å; Q149-E151 PolarHBondContact O-N 2.76Å; E151-L153 PolarHBondContact O-N 3.24Å; E151-R154 WeakPolarHBondContact O-CB 3.41Å; E151-R154 PolarHBondContact O-N 2.96Å; E151-R155 WeakPolarHBondContact O-CG 3.44Å; E151-R155 PolarHBondContact O-N 3.14Å; E151-R155 IonicContact OE1-CZ 3.73Å; E151-R155 IonicContact OE1-NE 3.29Å; E151-R155 PolarHBondContact OE1-NE 3.12Å; E151-R155 IonicContact OE1-NH2 2.68Å; E151-R155 PolarHBondContact OE1-NH2 3.48Å; E151-R155 IonicContact OE2-NH2 3.25Å
152L98.2Very high96.8Very high88 Ų88110.5 Ų110.546%0.46152%0.521SS..Hα-helixtrans-59.8-45.8176.4-178.464.3000111.7E148 Q149 R154 R155 K156E148-L152 PolarHBondContact O-N 3.05Å; Q149-L152 PolarHBondContact O-N 3.02Å; L152-R154 VanDerWaalsContact C-N 3.34Å; L152-R154 PolarHBondContact O-N 3.02Å; L152-R155 PolarHBondContact O-N 3.35Å; L152-K156 WeakPolarHBondContact O-CG 3.47Å; L152-K156 PolarHBondContact O-N 3.36Å
153L97.8Very high97.1Very high108 Ų108111 Ų11157%0.56553%0.526SS*.Hα-helixtrans-62.6-40.9177.3-74.1175000111.7Q149 L150 E151 R155 K156 L157Q149-L153 WeakPolarHBondContact O-CB 3.36Å; Q149-L153 WeakPolarHBondContact O-CG 3.45Å; Q149-L153 PolarHBondContact O-N 2.9Å; L150-L153 PolarHBondContact O-N 3.11Å; E151-L153 PolarHBondContact O-N 3.24Å; L153-R155 PolarHBondContact O-N 3.12Å; L153-K156 PolarHBondContact O-N 3.26Å; L153-L157 WeakPolarHBondContact O-CB 3.4Å; L153-L157 PolarHBondContact O-N 2.84Å
154R97.8Very high97.2Very high172 Ų172109.4 Ų109.465%0.64952%0.522SS*.Hα-helixtrans-60.9-43.1173.9-76.1172176.1175.10.6111.9L150 E151 L152 L157 K158L150-R154 WeakPolarHBondContact O-CB 3.18Å; L150-R154 VanDerWaalsContact O-CG 3.28Å; L150-R154 WeakPolarHBondContact O-CG 3.3Å; L150-R154 PolarHBondContact O-N 3.31Å; E151-R154 WeakPolarHBondContact O-CB 3.41Å; E151-R154 PolarHBondContact O-N 2.96Å; L152-R154 VanDerWaalsContact C-N 3.34Å; L152-R154 PolarHBondContact O-N 3.02Å; R154-L157 PolarHBondContact O-N 2.93Å; R154-K158 WeakPolarHBondContact O-CG 3.41Å; R154-K158 PolarHBondContact O-N 3.3Å; R154-K158 VanDerWaalsContact O-N 3.08Å
155R98.3Very high97.2Very high148 Ų148113.3 Ų113.356%0.55853%0.534SS*.Hα-helixtrans-63.5-44.8176-68.5174.5-175-169.82.9111.3E151 L152 L153 L157 K158 T159E151-R155 WeakPolarHBondContact O-CG 3.44Å; E151-R155 PolarHBondContact O-N 3.14Å; E151-R155 IonicContact OE1-CZ 3.73Å; E151-R155 IonicContact OE1-NE 3.29Å; E151-R155 PolarHBondContact OE1-NE 3.12Å; E151-R155 IonicContact OE1-NH2 2.68Å; E151-R155 PolarHBondContact OE1-NH2 3.48Å; E151-R155 IonicContact OE2-NH2 3.25Å; L152-R155 PolarHBondContact O-N 3.35Å; L153-R155 PolarHBondContact O-N 3.12Å; R155-L157 PolarHBondContact O-N 2.99Å; R155-K158 PolarHBondContact O-N 3.39Å; R155-T159 WeakPolarHBondContact O-CG2 3.36Å; R155-T159 PolarHBondContact O-N 3.43Å; R155-T159 VanDerWaalsContact O-N 3.07Å; R155-T159 PolarHBondContact O-OG1 2.97Å
156K98Very high97.1Very high122 Ų122114.8 Ų114.853%0.5353%0.534SS..Hα-helixtrans-60-45.1175.3-75.8-176.8177.9-178.80111.8L152 L153 K158 T159 A160L152-K156 WeakPolarHBondContact O-CG 3.47Å; L152-K156 PolarHBondContact O-N 3.36Å; L153-K156 PolarHBondContact O-N 3.26Å; K156-K158 PolarHBondContact O-N 2.95Å; K156-T159 PolarHBondContact O-N 3.41Å; K156-T159 PolarHBondContact O-OG1 3.04Å; K156-A160 WeakPolarHBondContact O-CB 3.35Å; K156-A160 PolarHBondContact O-N 3.45Å
157L98.1Very high97Very high101 Ų101115.4 Ų115.453%0.52953%0.534SS..Hα-helixtrans-59.5-46.1177.8-177.164.1000111.4L153 R154 R155 T159 A160 Q161L153-L157 WeakPolarHBondContact O-CB 3.4Å; L153-L157 PolarHBondContact O-N 2.84Å; R154-L157 PolarHBondContact O-N 2.93Å; R155-L157 PolarHBondContact O-N 2.99Å; L157-T159 PolarHBondContact O-N 3.1Å; L157-A160 PolarHBondContact O-N 2.95Å; L157-Q161 HydrophobicContact CD1-CG 4.36Å; L157-Q161 HydrophobicContact CG-CG 4.41Å; L157-Q161 WeakPolarHBondContact O-CB 3.31Å; L157-Q161 VanDerWaalsContact O-CG 3.24Å; L157-Q161 WeakPolarHBondContact O-CG 3.22Å; L157-Q161 PolarHBondContact O-N 3.19Å
158K97.9Very high96.9Very high147 Ų147115.2 Ų115.264%0.63953%0.533SS*.Hα-helixtrans-59.5-46.2177.2-74.5-179.5178-177.10112.6R154 R155 K156 Q161 Q162R154-K158 WeakPolarHBondContact O-CG 3.41Å; R154-K158 PolarHBondContact O-N 3.3Å; R154-K158 VanDerWaalsContact O-N 3.08Å; R155-K158 PolarHBondContact O-N 3.39Å; K156-K158 PolarHBondContact O-N 2.95Å; K158-Q161 PolarHBondContact O-N 3.43Å; K158-Q162 WeakPolarHBondContact O-CB 3.4Å; K158-Q162 PolarHBondContact O-N 3.09Å
159T97Very high96.6Very high75 Ų75113.6 Ų113.646%0.4653%0.526SS..Hα-helixtrans-65.8-40.3179.157.30000111.9R155 K156 L157 Q162 K163R155-T159 WeakPolarHBondContact O-CG2 3.36Å; R155-T159 PolarHBondContact O-N 3.43Å; R155-T159 VanDerWaalsContact O-N 3.07Å; R155-T159 PolarHBondContact O-OG1 2.97Å; K156-T159 PolarHBondContact O-N 3.41Å; K156-T159 PolarHBondContact O-OG1 3.04Å; L157-T159 PolarHBondContact O-N 3.1Å; T159-Q162 PolarHBondContact O-N 3.31Å; T159-K163 WeakPolarHBondContact O-CG 3.41Å; T159-K163 PolarHBondContact O-N 2.84Å
160A97Very high96.2Very high47 Ų47115.4 Ų115.439%0.38853%0.534SS..Hα-helixtrans-62.5-47174.200000111.6K156 L157 Q162 K163 V164K156-A160 WeakPolarHBondContact O-CB 3.35Å; K156-A160 PolarHBondContact O-N 3.45Å; L157-A160 PolarHBondContact O-N 2.95Å; A160-Q162 VanDerWaalsContact C-N 3.3Å; A160-Q162 PolarHBondContact O-N 2.91Å; A160-K163 WeakPolarHBondContact O-CB 3.29Å; A160-K163 PolarHBondContact O-N 3.25Å; A160-K163 VanDerWaalsContact O-N 3.16Å; A160-V164 WeakPolarHBondContact O-CG2 3.47Å; A160-V164 PolarHBondContact O-N 2.68Å
161Q97.1Very high95.7Very high112 Ų112117.7 Ų117.752%0.52355%0.546SS..Hα-helixtrans-57.6-42.4175.2-75.6173.2-1900111.9L157 K158 V164 R165L157-Q161 HydrophobicContact CD1-CG 4.36Å; L157-Q161 HydrophobicContact CG-CG 4.41Å; L157-Q161 WeakPolarHBondContact O-CB 3.31Å; L157-Q161 VanDerWaalsContact O-CG 3.24Å; L157-Q161 WeakPolarHBondContact O-CG 3.22Å; L157-Q161 PolarHBondContact O-N 3.19Å; K158-Q161 PolarHBondContact O-N 3.43Å; Q161-V164 PolarHBondContact O-N 2.95Å; Q161-R165 WeakPolarHBondContact O-CB 3.08Å; Q161-R165 PolarHBondContact O-N 3.02Å
162Q96Very high94.8Very high105 Ų105121.7 Ų121.749%0.49156%0.562SS.*Hα-helixtrans-65.6-40.4177.3-166.2-179.315.700112K158 T159 A160 R165 R166K158-Q162 WeakPolarHBondContact O-CB 3.4Å; K158-Q162 PolarHBondContact O-N 3.09Å; T159-Q162 PolarHBondContact O-N 3.31Å; A160-Q162 VanDerWaalsContact C-N 3.3Å; A160-Q162 PolarHBondContact O-N 2.91Å; Q162-R165 PolarHBondContact O-N 3.33Å; Q162-R166 VanDerWaalsContact NE2-NH2 3.14Å; Q162-R166 WeakPolarHBondContact O-CG 3.4Å; Q162-R166 PolarHBondContact O-N 3.26Å
163K96.4Very high93Very high141 Ų141131.1 Ų131.161%0.61359%0.592SS**Hα-helixtrans-61-47.4174.8-74.7177.9-179.8-176.90111.5T159 A160 R165 R166 Q167T159-K163 WeakPolarHBondContact O-CG 3.41Å; T159-K163 PolarHBondContact O-N 2.84Å; A160-K163 WeakPolarHBondContact O-CB 3.29Å; A160-K163 PolarHBondContact O-N 3.25Å; A160-K163 VanDerWaalsContact O-N 3.16Å; K163-R165 VanDerWaalsContact C-N 3.33Å; K163-R165 PolarHBondContact O-N 3.28Å; K163-R166 PolarHBondContact O-N 3.28Å; K163-Q167 WeakPolarHBondContact O-CG 3.27Å; K163-Q167 PolarHBondContact O-N 2.92Å
164V96.1Very high92.8Very high71 Ų71132.3 Ų132.343%0.4359%0.593SS.*Hα-helixtrans-58.7-45.6176.7172.10000110.6A160 Q161 R166 Q167 Q168A160-V164 WeakPolarHBondContact O-CG2 3.47Å; A160-V164 PolarHBondContact O-N 2.68Å; Q161-V164 PolarHBondContact O-N 2.95Å; V164-R166 VanDerWaalsContact C-N 3.33Å; V164-R166 PolarHBondContact O-N 3.43Å; V164-Q167 PolarHBondContact O-N 2.94Å; V164-Q168 HydrophobicContact CG1-CG 4.3Å; V164-Q168 WeakPolarHBondContact O-CB 3.47Å; V164-Q168 WeakPolarHBondContact O-CG 3.46Å; V164-Q168 PolarHBondContact O-N 2.88Å
165R95.5Very high92.5Very high171 Ų171130.2 Ų130.265%0.64559%0.59SS**Hα-helixtrans-59.2-41.5177.5-174.6177.9174.5-175.2-0.1112.4Q161 Q162 K163 Q169Q161-R165 WeakPolarHBondContact O-CB 3.08Å; Q161-R165 PolarHBondContact O-N 3.02Å; Q162-R165 PolarHBondContact O-N 3.33Å; K163-R165 VanDerWaalsContact C-N 3.33Å; K163-R165 PolarHBondContact O-N 3.28Å; R165-Q169 WeakPolarHBondContact O-CG 3.42Å; R165-Q169 PolarHBondContact O-N 3.4Å; R165-Q169 VanDerWaalsContact O-N 3.09Å
166R94.4Very high92.2Very high144 Ų144129.2 Ų129.254%0.54359%0.592SS.*Hα-helixtrans-65-44.6176.7-69.8175.5-172-165.44.3111.7Q162 K163 V164 Q169 Q170Q162-R166 VanDerWaalsContact NE2-NH2 3.14Å; Q162-R166 WeakPolarHBondContact O-CG 3.4Å; Q162-R166 PolarHBondContact O-N 3.26Å; K163-R166 PolarHBondContact O-N 3.28Å; V164-R166 VanDerWaalsContact C-N 3.33Å; V164-R166 PolarHBondContact O-N 3.43Å; R166-Q169 PolarHBondContact O-N 3.03Å; R166-Q170 WeakPolarHBondContact O-CG 3.45Å; R166-Q170 PolarHBondContact O-N 3.31Å; R166-Q170 VanDerWaalsContact O-N 3.09Å
167Q94.2Very high91.9Very high116 Ų116129.6 Ų129.654%0.54260%0.595SS.*Hα-helixtrans-62.4-44.1176.9-71.2175.8-2.400111.6K163 V164 Q169 Q170 L171K163-Q167 WeakPolarHBondContact O-CG 3.27Å; K163-Q167 PolarHBondContact O-N 2.92Å; V164-Q167 PolarHBondContact O-N 2.94Å; Q167-Q169 VanDerWaalsContact C-N 3.27Å; Q167-Q169 PolarHBondContact O-N 3.02Å; Q167-Q170 PolarHBondContact O-N 3.26Å; Q167-Q170 VanDerWaalsContact O-N 3.11Å; Q167-L171 WeakPolarHBondContact O-CG 3.43Å; Q167-L171 PolarHBondContact O-N 2.99Å
168Q93.3Very high91.5Very high109 Ų109131.4 Ų131.451%0.50960%0.599SS.*Hα-helixtrans-62.1-32.4175.8-73.9179.5-14.700113.1V164 K172V164-Q168 HydrophobicContact CG1-CG 4.3Å; V164-Q168 WeakPolarHBondContact O-CB 3.47Å; V164-Q168 WeakPolarHBondContact O-CG 3.46Å; V164-Q168 PolarHBondContact O-N 2.88Å; Q168-K172 VanDerWaalsContact O-CG 3.3Å; Q168-K172 WeakPolarHBondContact O-CG 3.01Å; Q168-K172 PolarHBondContact O-N 3.49Å
169Q91.4Very high91.1Very high108 Ų108130.3 Ų130.351%0.50560%0.597SS.*Hα-helixtrans-71.6-34.2174-75.8176-21.400112.5R165 R166 Q167R165-Q169 WeakPolarHBondContact O-CG 3.42Å; R165-Q169 PolarHBondContact O-N 3.4Å; R165-Q169 VanDerWaalsContact O-N 3.09Å; R166-Q169 PolarHBondContact O-N 3.03Å; Q167-Q169 VanDerWaalsContact C-N 3.27Å; Q167-Q169 PolarHBondContact O-N 3.02Å
170Q89.6Confident90.6Very high142 Ų142134.3 Ų134.366%0.66461%0.607SS**Hα-helixtrans-69.9-38.9175.8-71.2176.7-700112R166 Q167 K172 R173R166-Q170 WeakPolarHBondContact O-CG 3.45Å; R166-Q170 PolarHBondContact O-N 3.31Å; R166-Q170 VanDerWaalsContact O-N 3.09Å; Q167-Q170 PolarHBondContact O-N 3.26Å; Q167-Q170 VanDerWaalsContact O-N 3.11Å; Q170-K172 PolarHBondContact O-N 3.48Å; Q170-R173 PolarHBondContact O-N 2.78Å
171L86.6Confident90.1Very high148 Ų148141 Ų14178%0.77562%0.623SS**THydrogen-bonded Turntrans-71.5-14.6178.2-69.1169.8000114.3Q167Q167-L171 WeakPolarHBondContact O-CG 3.43Å; Q167-L171 PolarHBondContact O-N 2.99Å
172K79.3Confident89.6Confident181 Ų181143.4 Ų143.479%0.78763%0.632SS**THydrogen-bonded Turntrans-94-1.2179.5-76.3179.8-180-172.10113.6Q168 Q170Q168-K172 VanDerWaalsContact O-CG 3.3Å; Q168-K172 WeakPolarHBondContact O-CG 3.01Å; Q168-K172 PolarHBondContact O-N 3.49Å; Q170-K172 PolarHBondContact O-N 3.48Å
173R61.8Low89Confident285 Ų285146.9 Ų146.9100%1.07564%0.644SS**  trans-102.40173-72.7-174.2176-150.4-1.7109.2Q170Q170-R173 PolarHBondContact O-N 2.78Å

Retrieved 173 of 173 residues in 111 ms (Link to these results)

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