G4V7T7_SCHMA Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession G4V7T7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 436 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
1M59.8Low86.7Confident231 Ų231131.7 Ų131.7100%1.13870%0.701SS**  0130.20-90.3-178-130.900107.9V3M1-V3 HydrophobicContact CB-CG1 4.44Å
2A73.6Confident87.4Confident111 Ų111130.3 Ų130.392%0.91769%0.693SS**  trans-79128.6164.200000107.4
3V85Confident88.1Confident116 Ų116123.8 Ų123.870%0.70366%0.659SS**  trans-125148.4176.7-660000108.5M1 T5M1-V3 HydrophobicContact CB-CG1 4.44Å; V3-T5 PolarHBondContact O-N 3.34Å
4L85.8Confident88.7Confident108 Ų108115.1 Ų115.157%0.56561%0.612SS**  trans-68.6121.8170.7-66.9174.9000108.4Y6 P7 V10L4-Y6 PolarHBondContact O-N 3.32Å; L4-P7 HydrophobicContact CB-CB 4.31Å; L4-P7 WeakPolarHBondContact O-CD 3.37Å; L4-V10 HydrophobicContact CD1-CB 4.27Å; L4-V10 HydrophobicContact CD1-CG1 4.47Å
5T91.2Very high89.3Confident111 Ų111107.5 Ų107.568%0.68157%0.573SS**SBendtrans-62.2-32.7177.4-49.60000111.8V3V3-T5 PolarHBondContact O-N 3.34Å
6Y92Very high89.6Confident158 Ų158101.4 Ų101.462%0.6254%0.54SS*.SBendtrans-129.671.7-178.3-57.1-69.9000110.5L4 T8 Y9L4-Y6 PolarHBondContact O-N 3.32Å; Y6-T8 PolarHBondContact O-N 2.88Å; Y6-T8 VanDerWaalsContact O-N 3.16Å; Y6-Y9 PolarHBondContact O-N 2.92Å
7P90.7Very high89.9Confident87 Ų8799.1 Ų99.157%0.56553%0.525SS*.THydrogen-bonded Turntrans-64.4-23.8-171.126.4-34.2000113.3L4 Y9L4-P7 HydrophobicContact CB-CB 4.31Å; L4-P7 WeakPolarHBondContact O-CD 3.37Å; P7-Y9 VanDerWaalsContact C-N 3.29Å
8T94.2Very high90.2Very high105 Ų10596.7 Ų96.764%0.64451%0.511SS*.THydrogen-bonded Turntrans-84.80.2177.856.20000113.9Y6 F11Y6-T8 PolarHBondContact O-N 2.88Å; Y6-T8 VanDerWaalsContact O-N 3.16Å; T8-F11 WeakPolarHBondContact O-CZ 3.48Å
9Y93.6Very high90.3Very high181 Ų18191.7 Ų91.771%0.7148%0.484SS*.SBendtrans-112.9-5.9-178.8-69.6-100.5000112.8Y6 P7Y6-Y9 PolarHBondContact O-N 2.92Å; P7-Y9 VanDerWaalsContact C-N 3.29Å
10V93.7Very high90.1Very high69 Ų6988.6 Ų88.642%0.41847%0.467SS..  trans-111.2116.1179.7-178.10000108.6L4 L12L4-V10 HydrophobicContact CD1-CB 4.27Å; L4-V10 HydrophobicContact CD1-CG1 4.47Å; V10-L12 HydrophobicContact CG1-CD2 4.43Å
11F94.4Very high89.8Confident172 Ų17287 Ų8775%0.75446%0.458SS*.  trans-113.9134.1176.5-56.8-88.5000108.3T8T8-F11 WeakPolarHBondContact O-CZ 3.48Å
12L94.9Very high90.9Very high114 Ų11476 Ų7660%0.59740%0.404SS*.  trans-116.3128.6180-64.2175.8000108.9V10 L54 P55V10-L12 HydrophobicContact CG1-CD2 4.43Å; L12-L54 HydrophobicContact CB-CD2 4.06Å; L12-P55 WeakPolarHBondContact O-CD 3.45Å
13N96.4Very high91.4Very high47 Ų4771.2 Ų71.225%0.25136%0.363SS..  trans-90.7150.7165.6-70-17000109.2G15 P55N13-G15 PolarHBondContact O-N 3.11Å; N13-P55 CarbonylContact C-O 3.42Å; N13-P55 VanDerWaalsContact CA-O 3.24Å; N13-P55 WeakPolarHBondContact CA-O 2.72Å
14R97.2Very high91.2Very high1 Ų171.1 Ų71.10%0.00436%0.355CS..  trans-63.3128.3168.2-164.7178.9-179.7173.4-1.7108.4E18 F51 L54 P55 I56 L88 S89 L114R14-E18 HydrophobicContact CG-CB 3.71Å; R14-E18 PolarHBondContact NE-O 3.34Å; R14-E18 PolarHBondContact NH2-O 3Å; R14-F51 WeakPolarHBondContact CD-O 3.29Å; R14-L54 HydrophobicContact CB-CB 3.82Å; R14-L54 HydrophobicContact CB-CD1 4.43Å; R14-L54 HydrophobicContact CG-CB 4.45Å; R14-P55 PolarHBondContact N-O 2.88Å; R14-I56 HydrophobicContact CB-CG2 4.27Å; R14-L88 PolarHBondContact NH1-O 3Å; R14-L88 PolarHBondContact NH2-O 3.21Å; R14-L88 VanDerWaalsContact NH2-O 3.15Å; R14-S89 PolarHBondContact NH2-O 3.24Å; R14-S89 VanDerWaalsContact NH2-O 3.16Å; R14-L114 HydrophobicContact CG-CD1 4.01Å; R14-L114 WeakPolarHBondContact O-CD2 3.07Å
15G96.7Very high90.7Very high2 Ų275.2 Ų75.22%0.02136%0.363CS..  trans-103.2-178.816700000112N13 H17 E18 H68N13-G15 PolarHBondContact O-N 3.11Å; G15-H17 PolarHBondContact O-N 3.36Å; G15-E18 VanDerWaalsContact C-OE2 3.24Å; G15-E18 WeakPolarHBondContact CA-OE2 3.3Å; G15-E18 PolarHBondContact N-OE2 3.04Å; G15-E18 PolarHBondContact O-N 2.71Å; G15-H68 WeakPolarHBondContact CA-ND1 3.37Å
16N95.2Very high89.8Confident10 Ų1076.8 Ų76.85%0.05336%0.357CS..THydrogen-bonded Turntrans-72-19.1-179.976-50.4000112.9V22 H68 L114 W115 H157N16-V22 WeakPolarHBondContact O-CG2 3.46Å; N16-H68 PolarHBondContact N-CD2 3.16Å; N16-H68 VanDerWaalsContact N-CD2 3.33Å; N16-H68 PolarHBondContact N-NE2 3.31Å; N16-H68 PolarHBondContact OD1-NE2 3.47Å; N16-L114 HydrophobicContact CB-CB 4.31Å; N16-L114 WeakPolarHBondContact CB-O 3.32Å; N16-W115 HydrophobicContact CB-CD2 4.1Å; N16-W115 HydrophobicContact CB-CG 4.5Å; N16-W115 HydrophobicContact CB-CZ2 3.96Å; N16-H157 PolarHBondContact ND2-CE1 3.42Å; N16-H157 PolarHBondContact OD1-ND1 2.92Å
17H93.6Very high89Confident62 Ų6270.7 Ų70.729%0.28734%0.343SS..THydrogen-bonded Turntrans-84.2-11.7174.8-77.1-94.2000113.3G15 D19 V22 N23 Y26G15-H17 PolarHBondContact O-N 3.36Å; H17-D19 PolarHBondContact O-N 3.26Å; H17-V22 HydrophobicContact CB-CG1 4.3Å; H17-V22 VanDerWaalsContact ND1-CG1 3.34Å; H17-V22 WeakPolarHBondContact ND1-CG1 3.47Å; H17-N23 PolarHBondContact O-ND2 2.93Å; H17-Y26 AromaticContact CE1-CD2 3.81Å
18E95.8Very high88.6Confident56 Ų5670.3 Ų70.326%0.26233%0.332SS..SBendtrans-81.257168.8-71.365-136.900109.5R14 G15 F51 L54R14-E18 HydrophobicContact CG-CB 3.71Å; R14-E18 PolarHBondContact NE-O 3.34Å; R14-E18 PolarHBondContact NH2-O 3Å; G15-E18 VanDerWaalsContact C-OE2 3.24Å; G15-E18 WeakPolarHBondContact CA-OE2 3.3Å; G15-E18 PolarHBondContact N-OE2 3.04Å; G15-E18 PolarHBondContact O-N 2.71Å; E18-F51 HydrophobicContact CB-CB 3.88Å; E18-F51 HydrophobicContact CB-CD1 3.58Å; E18-F51 HydrophobicContact CB-CD2 4.21Å; E18-F51 HydrophobicContact CB-CE1 4.15Å; E18-F51 HydrophobicContact CB-CG 3.61Å; E18-F51 HydrophobicContact CG-CD1 3.48Å; E18-F51 VanDerWaalsContact CG-CD1 3.48Å; E18-F51 HydrophobicContact CG-CE1 3.72Å; E18-F51 HydrophobicContact CG-CG 4.08Å; E18-F51 HydrophobicContact CG-CZ 4.48Å; E18-L54 HydrophobicContact CB-CD1 4.45Å; E18-L54 HydrophobicContact CG-CD1 3.89Å
19D91.4Very high88Confident1 Ų166.6 Ų66.61%0.00531%0.309CS..SBendtrans-148.6130.4-176.5-178.8-66.9000109H17 M21 V22 N23 S90 L91H17-D19 PolarHBondContact O-N 3.26Å; D19-M21 VanDerWaalsContact C-N 3.33Å; D19-M21 PolarHBondContact O-N 2.94Å; D19-M21 WeakPolarHBondContact OD1-CB 3.23Å; D19-M21 PolarHBondContact OD1-N 3.28Å; D19-V22 HydrophobicContact CB-CB 4.11Å; D19-V22 HydrophobicContact CB-CG2 3.87Å; D19-V22 PolarHBondContact O-N 2.73Å; D19-V22 PolarHBondContact OD1-N 2.91Å; D19-N23 PolarHBondContact O-N 3.35Å; D19-N23 PolarHBondContact O-ND2 3.21Å; D19-N23 PolarHBondContact O-OD1 2.87Å; D19-S90 WeakPolarHBondContact OD2-CA 3.43Å; D19-L91 PolarHBondContact OD2-N 2.75Å
20I86.1Confident87.3Confident29 Ų2964.9 Ų64.915%0.14931%0.305CS..Hα-helixtrans-62.6-37.7-173.7-171.558.8000112.9V22 N23 E24 V29 I44I20-V22 VanDerWaalsContact C-N 3.33Å; I20-V22 PolarHBondContact O-N 3.16Å; I20-N23 WeakPolarHBondContact O-CB 3.48Å; I20-N23 PolarHBondContact O-N 3.45Å; I20-E24 WeakPolarHBondContact O-CG 3.44Å; I20-E24 PolarHBondContact O-N 2.99Å; I20-V29 HydrophobicContact CD1-CG2 4.19Å; I20-I44 HydrophobicContact CD1-CG2 3.51Å
21M84Confident86.8Confident55 Ų5565.6 Ų65.627%0.27130%0.304SS..Hα-helixtrans-70-36.1179.7-67.7-55.8-61.900111.2D19 N23 R25 S90 L92 Q93D19-M21 VanDerWaalsContact C-N 3.33Å; D19-M21 PolarHBondContact O-N 2.94Å; D19-M21 WeakPolarHBondContact OD1-CB 3.23Å; D19-M21 PolarHBondContact OD1-N 3.28Å; M21-N23 VanDerWaalsContact C-N 3.33Å; M21-R25 WeakPolarHBondContact O-CB 3Å; M21-R25 PolarHBondContact O-N 3.04Å; M21-S90 WeakPolarHBondContact CG-OG 3.17Å; M21-L92 HydrophobicContact CB-CB 4.29Å; M21-Q93 HydrophobicContact CG-CB 4.02Å; M21-Q93 PolarHBondContact SD-OE1 2.93Å
22V83.5Confident86.4Confident1 Ų158.2 Ų58.21%0.00627%0.273CS..Hα-helixtrans-66.9-39.5173.6-1770000110.1N16 H17 D19 I20 R25 Y26 L92 W115N16-V22 WeakPolarHBondContact O-CG2 3.46Å; H17-V22 HydrophobicContact CB-CG1 4.3Å; H17-V22 VanDerWaalsContact ND1-CG1 3.34Å; H17-V22 WeakPolarHBondContact ND1-CG1 3.47Å; D19-V22 HydrophobicContact CB-CB 4.11Å; D19-V22 HydrophobicContact CB-CG2 3.87Å; D19-V22 PolarHBondContact O-N 2.73Å; D19-V22 PolarHBondContact OD1-N 2.91Å; I20-V22 VanDerWaalsContact C-N 3.33Å; I20-V22 PolarHBondContact O-N 3.16Å; V22-R25 PolarHBondContact O-N 3.05Å; V22-Y26 HydrophobicContact CG1-CD2 3.51Å; V22-Y26 HydrophobicContact CG1-CE2 3.87Å; V22-Y26 WeakPolarHBondContact O-CD2 3.41Å; V22-Y26 PolarHBondContact O-N 3.12Å; V22-L92 HydrophobicContact CG2-CD1 3.62Å; V22-L92 HydrophobicContact CG2-CG 4.4Å; V22-W115 HydrophobicContact CG2-CH2 4.08Å; V22-W115 HydrophobicContact CG2-CZ2 3.7Å
23N85Confident85.9Confident10 Ų1054.2 Ų54.25%0.05325%0.254CS..Hα-helixtrans-65.1-38.4177.4-68170.3000114.1H17 D19 I20 M21 R25 G27 F28 V29 F51H17-N23 PolarHBondContact O-ND2 2.93Å; D19-N23 PolarHBondContact O-N 3.35Å; D19-N23 PolarHBondContact O-ND2 3.21Å; D19-N23 PolarHBondContact O-OD1 2.87Å; I20-N23 WeakPolarHBondContact O-CB 3.48Å; I20-N23 PolarHBondContact O-N 3.45Å; M21-N23 VanDerWaalsContact C-N 3.33Å; N23-R25 VanDerWaalsContact C-N 3.34Å; N23-G27 PolarHBondContact O-N 3.08Å; N23-F28 HydrophobicContact CB-CB 3.92Å; N23-F28 HydrophobicContact CB-CD1 3.94Å; N23-F28 HydrophobicContact CB-CG 4.41Å; N23-F28 PolarHBondContact O-N 3.12Å; N23-F28 WeakPolarHBondContact OD1-CD1 3.06Å; N23-V29 HydrophobicContact CB-CG2 4Å; N23-V29 PolarHBondContact O-N 3.04Å; N23-F51 WeakPolarHBondContact OD1-CE2 3.34Å
24E79.2Confident85.4Confident114 Ų11457.2 Ų57.253%0.53327%0.27SS..Hα-helixtrans-63.9-41.7173.3-73.2-175163.300111.3I20 V29I20-E24 WeakPolarHBondContact O-CG 3.44Å; I20-E24 PolarHBondContact O-N 2.99Å; E24-V29 HydrophobicContact CG-CB 4.35Å; E24-V29 HydrophobicContact CG-CG2 3.82Å
25R75.2Confident85.2Confident194 Ų19463.4 Ų63.473%0.73230%0.297SS*.Hα-helixtrans-72.3-41.6-177.8-172.1172.2-177171.10.2113.8M21 V22 N23M21-R25 WeakPolarHBondContact O-CB 3Å; M21-R25 PolarHBondContact O-N 3.04Å; V22-R25 PolarHBondContact O-N 3.05Å; N23-R25 VanDerWaalsContact C-N 3.34Å
26Y73.4Confident85.1Confident145 Ų14569.1 Ų69.157%0.56932%0.319SS*.THydrogen-bonded Turntrans-100.313.5-174-65.4-76.8000114H17 V22H17-Y26 AromaticContact CE1-CD2 3.81Å; V22-Y26 HydrophobicContact CG1-CD2 3.51Å; V22-Y26 HydrophobicContact CG1-CE2 3.87Å; V22-Y26 WeakPolarHBondContact O-CD2 3.41Å; V22-Y26 PolarHBondContact O-N 3.12Å
27G75.2Confident84.8Confident30 Ų3072.7 Ų72.731%0.30935%0.345SS..THydrogen-bonded Turntrans91.1-0.8163.500000116.2N23 V29 K30 E31N23-G27 PolarHBondContact O-N 3.08Å; G27-V29 VanDerWaalsContact C-N 3.33Å; G27-V29 PolarHBondContact O-N 3.34Å; G27-K30 WeakPolarHBondContact O-CB 3.37Å; G27-K30 PolarHBondContact O-N 3.4Å; G27-K30 VanDerWaalsContact O-N 3.13Å; G27-E31 PolarHBondContact O-N 3.24Å
28F81.9Confident84.8Confident78 Ų7879.1 Ų79.134%0.34237%0.372SS..Hα-helixtrans-60.6-41.9177-176.9-111.6000112N23 K30 E31 L32 C47 F51N23-F28 HydrophobicContact CB-CB 3.92Å; N23-F28 HydrophobicContact CB-CD1 3.94Å; N23-F28 HydrophobicContact CB-CG 4.41Å; N23-F28 PolarHBondContact O-N 3.12Å; N23-F28 WeakPolarHBondContact OD1-CD1 3.06Å; F28-K30 VanDerWaalsContact C-N 3.32Å; F28-K30 PolarHBondContact O-N 2.89Å; F28-E31 WeakPolarHBondContact O-CB 3.32Å; F28-E31 PolarHBondContact O-N 2.96Å; F28-L32 HydrophobicContact CD1-CD1 4.15Å; F28-L32 HydrophobicContact CE1-CD1 3.7Å; F28-L32 HydrophobicContact CE1-CG 4.31Å; F28-L32 HydrophobicContact CZ-CD1 4.06Å; F28-L32 HydrophobicContact CZ-CD2 4.39Å; F28-L32 HydrophobicContact CZ-CG 4.29Å; F28-L32 PolarHBondContact O-N 2.94Å; F28-C47 HydrophobicContact CE1-CB 4.47Å; F28-F51 HydrophobicContact CE1-CZ 4.34Å
29V80.7Confident84.7Confident27 Ų2781.1 Ų81.116%0.16438%0.384CS..Hα-helixtrans-62.8-38.6174.7167.80000112I20 N23 E24 G27 S33 I44I20-V29 HydrophobicContact CD1-CG2 4.19Å; N23-V29 HydrophobicContact CB-CG2 4Å; N23-V29 PolarHBondContact O-N 3.04Å; E24-V29 HydrophobicContact CG-CB 4.35Å; E24-V29 HydrophobicContact CG-CG2 3.82Å; G27-V29 VanDerWaalsContact C-N 3.33Å; G27-V29 PolarHBondContact O-N 3.34Å; V29-S33 WeakPolarHBondContact O-CB 3.36Å; V29-S33 PolarHBondContact O-N 3.34Å; V29-S33 PolarHBondContact O-OG 3.35Å; V29-I44 HydrophobicContact CG1-CD1 3.82Å; V29-I44 HydrophobicContact CG2-CD1 4.34Å; V29-I44 HydrophobicContact CG2-CG1 4.44Å
30K79Confident84.5Confident146 Ų14684.8 Ų84.864%0.63540%0.4SS*.Hα-helixtrans-66.3-40.8176.6-174178.3-179.9-179.70111G27 F28 S33 N34G27-K30 WeakPolarHBondContact O-CB 3.37Å; G27-K30 PolarHBondContact O-N 3.4Å; G27-K30 VanDerWaalsContact O-N 3.13Å; F28-K30 VanDerWaalsContact C-N 3.32Å; F28-K30 PolarHBondContact O-N 2.89Å; K30-S33 WeakPolarHBondContact O-CB 3.02Å; K30-S33 PolarHBondContact O-N 2.94Å; K30-N34 PolarHBondContact O-N 2.79Å; K30-N34 PolarHBondContact O-ND2 2.8Å
31E85Confident84.6Confident83 Ų8389 Ų8939%0.38842%0.423SS..Hα-helixtrans-61.8-47176.8-173.767.1-178.200111.7G27 F28 S33 N34 K35G27-E31 PolarHBondContact O-N 3.24Å; F28-E31 WeakPolarHBondContact O-CB 3.32Å; F28-E31 PolarHBondContact O-N 2.96Å; E31-S33 VanDerWaalsContact C-N 3.3Å; E31-S33 PolarHBondContact O-N 2.86Å; E31-N34 PolarHBondContact O-N 3.41Å; E31-K35 HydrophobicContact CG-CD 4.16Å; E31-K35 WeakPolarHBondContact O-CB 3.29Å; E31-K35 PolarHBondContact O-N 3.43Å; E31-K35 WeakPolarHBondContact OE1-CD 3.39Å; E31-K35 WeakPolarHBondContact OE1-CE 3.42Å; E31-K35 IonicContact OE1-NZ 2.77Å; E31-K35 PolarHBondContact OE1-NZ 2.88Å
32L85.5Confident85.1Confident18 Ų1890.7 Ų90.79%0.09443%0.433CS..Hα-helixtrans-60.3-41.3174.1-70.2179.3000111.8F28 N34 Y36 L43 I44F28-L32 HydrophobicContact CD1-CD1 4.15Å; F28-L32 HydrophobicContact CE1-CD1 3.7Å; F28-L32 HydrophobicContact CE1-CG 4.31Å; F28-L32 HydrophobicContact CZ-CD1 4.06Å; F28-L32 HydrophobicContact CZ-CD2 4.39Å; F28-L32 HydrophobicContact CZ-CG 4.29Å; F28-L32 PolarHBondContact O-N 2.94Å; L32-N34 VanDerWaalsContact C-N 3.32Å; L32-N34 PolarHBondContact O-N 3.38Å; L32-Y36 HydrophobicContact CD2-CD2 3.98Å; L32-Y36 HydrophobicContact CD2-CE2 4.22Å; L32-Y36 CarbonylContact O-C 3.6Å; L32-Y36 WeakPolarHBondContact O-CA 3.3Å; L32-Y36 WeakPolarHBondContact O-CB 3.31Å; L32-Y36 PolarHBondContact O-N 3.06Å; L32-L43 HydrophobicContact CD1-CB 4.46Å; L32-L43 HydrophobicContact CD2-CD1 4.46Å; L32-I44 HydrophobicContact CD1-CG1 3.82Å
33S84.4Confident85.6Confident30 Ų3093 Ų9321%0.2145%0.445CS..Hα-helixtrans-62.8-37.9177.5-61.70000112.7V29 K30 E31 S37 K40V29-S33 WeakPolarHBondContact O-CB 3.36Å; V29-S33 PolarHBondContact O-N 3.34Å; V29-S33 PolarHBondContact O-OG 3.35Å; K30-S33 WeakPolarHBondContact O-CB 3.02Å; K30-S33 PolarHBondContact O-N 2.94Å; E31-S33 VanDerWaalsContact C-N 3.3Å; E31-S33 PolarHBondContact O-N 2.86Å; S33-S37 VanDerWaalsContact O-CA 3.31Å; S33-S37 WeakPolarHBondContact O-CA 3.46Å; S33-S37 PolarHBondContact O-N 3.33Å; S33-K40 WeakPolarHBondContact OG-CD 3.36Å
34N86Confident85.8Confident109 Ų10994.1 Ų94.158%0.58345%0.451SS*.Hα-helixtrans-74.9-44.3179.9-69.3-18.5000112.1K30 E31 L32K30-N34 PolarHBondContact O-N 2.79Å; K30-N34 PolarHBondContact O-ND2 2.8Å; E31-N34 PolarHBondContact O-N 3.41Å; L32-N34 VanDerWaalsContact C-N 3.32Å; L32-N34 PolarHBondContact O-N 3.38Å
35K92.2Very high86.5Confident132 Ų13293.1 Ų93.157%0.57445%0.446SS*.Hα-helixtrans-80.2-32.2-176.2-74.9178.2164.51640113.4E31E31-K35 HydrophobicContact CG-CD 4.16Å; E31-K35 WeakPolarHBondContact O-CB 3.29Å; E31-K35 PolarHBondContact O-N 3.43Å; E31-K35 WeakPolarHBondContact OE1-CD 3.39Å; E31-K35 WeakPolarHBondContact OE1-CE 3.42Å; E31-K35 IonicContact OE1-NZ 2.77Å; E31-K35 PolarHBondContact OE1-NZ 2.88Å
36Y94.1Very high87.4Confident122 Ų12288.2 Ų88.248%0.47843%0.433SS..  trans-132.851.6-170.9-52.7-77.7000111.2L32 K38 D39 K40 L43L32-Y36 HydrophobicContact CD2-CD2 3.98Å; L32-Y36 HydrophobicContact CD2-CE2 4.22Å; L32-Y36 CarbonylContact O-C 3.6Å; L32-Y36 WeakPolarHBondContact O-CA 3.3Å; L32-Y36 WeakPolarHBondContact O-CB 3.31Å; L32-Y36 PolarHBondContact O-N 3.06Å; Y36-K38 PolarHBondContact O-N 2.84Å; Y36-D39 PolarHBondContact O-N 3.02Å; Y36-K40 PolarHBondContact O-N 2.65Å; Y36-L43 VanDerWaalsContact CB-CD1 3.41Å; Y36-L43 HydrophobicContact CD1-CD1 4.1Å; Y36-L43 HydrophobicContact CD2-CD1 3.68Å; Y36-L43 HydrophobicContact CE2-CD1 4.48Å; Y36-L43 HydrophobicContact CG-CD1 3.46Å; Y36-L43 VanDerWaalsContact CG-CD1 3.46Å
37S89.6Confident88.4Confident85 Ų8582.5 Ų82.559%0.59442%0.415SS*.THydrogen-bonded Turntrans-52.3-33.4-17258.30000115S33S33-S37 VanDerWaalsContact O-CA 3.31Å; S33-S37 WeakPolarHBondContact O-CA 3.46Å; S33-S37 PolarHBondContact O-N 3.33Å
38K93.3Very high89.2Confident197 Ų19782.5 Ų82.586%0.85741%0.408SS*.THydrogen-bonded Turntrans-75.6-35.4178-63.2-175.1-179.3-179.60113.6Y36Y36-K38 PolarHBondContact O-N 2.84Å
39D93.3Very high89.7Confident97 Ų9784 Ų8452%0.51941%0.414SS..THydrogen-bonded Turntrans-111.93-170.4-65.8-51.1000113.8Y36 N41 N42 L43Y36-D39 PolarHBondContact O-N 3.02Å; D39-N41 VanDerWaalsContact C-N 3.26Å; D39-N41 PolarHBondContact O-N 2.9Å; D39-N41 VanDerWaalsContact O-N 3.09Å; D39-N42 WeakPolarHBondContact O-CB 3.39Å; D39-N42 PolarHBondContact O-N 2.79Å; D39-L43 HydrophobicContact CB-CD1 4.35Å; D39-L43 HydrophobicContact CB-CG 4.37Å; D39-L43 PolarHBondContact O-N 2.85Å
40K87.9Confident90.4Very high79 Ų7987.2 Ų87.234%0.34343%0.43SS..Hα-helixtrans-48-44-173.266.5176.2-174.5175.30113.6S33 Y36 L43 I44S33-K40 WeakPolarHBondContact OG-CD 3.36Å; Y36-K40 PolarHBondContact O-N 2.65Å; K40-L43 PolarHBondContact O-N 3.45Å; K40-I44 WeakPolarHBondContact O-CB 3.46Å; K40-I44 WeakPolarHBondContact O-CD1 3.45Å; K40-I44 WeakPolarHBondContact O-CG1 3.48Å; K40-I44 PolarHBondContact O-N 2.92Å
41N89Confident91.2Very high118 Ų11881.2 Ų81.263%0.63140%0.404SS*.Hα-helixtrans-68.8-40.3-176.7-67.6-12.8000111.1D39 H45D39-N41 VanDerWaalsContact C-N 3.26Å; D39-N41 PolarHBondContact O-N 2.9Å; D39-N41 VanDerWaalsContact O-N 3.09Å; N41-H45 WeakPolarHBondContact O-CB 3.41Å; N41-H45 PolarHBondContact O-N 3.19Å; N41-H45 VanDerWaalsContact O-N 3.07Å
42N94.3Very high91.6Very high90 Ų9077.4 Ų77.448%0.48139%0.386SS..Hα-helixtrans-66.8-42.1176.1-174.542.8000110.9D39 H45 L46D39-N42 WeakPolarHBondContact O-CB 3.39Å; D39-N42 PolarHBondContact O-N 2.79Å; N42-H45 PolarHBondContact O-N 3.11Å; N42-L46 WeakPolarHBondContact O-CB 3.34Å; N42-L46 VanDerWaalsContact O-CG 3.26Å; N42-L46 WeakPolarHBondContact O-CG 3.29Å; N42-L46 PolarHBondContact O-N 3.06Å
43L93.8Very high92.1Very high49 Ų4979.1 Ų79.126%0.25740%0.399SS..Hα-helixtrans-64.7-43177.4-69174.2000112.4L32 Y36 D39 K40 H45 L46 C47L32-L43 HydrophobicContact CD1-CB 4.46Å; L32-L43 HydrophobicContact CD2-CD1 4.46Å; Y36-L43 VanDerWaalsContact CB-CD1 3.41Å; Y36-L43 HydrophobicContact CD1-CD1 4.1Å; Y36-L43 HydrophobicContact CD2-CD1 3.68Å; Y36-L43 HydrophobicContact CE2-CD1 4.48Å; Y36-L43 HydrophobicContact CG-CD1 3.46Å; Y36-L43 VanDerWaalsContact CG-CD1 3.46Å; D39-L43 HydrophobicContact CB-CD1 4.35Å; D39-L43 HydrophobicContact CB-CG 4.37Å; D39-L43 PolarHBondContact O-N 2.85Å; K40-L43 PolarHBondContact O-N 3.45Å; L43-H45 VanDerWaalsContact C-N 3.34Å; L43-H45 PolarHBondContact O-N 3.46Å; L43-L46 PolarHBondContact O-N 2.77Å; L43-C47 WeakPolarHBondContact O-CB 3.29Å; L43-C47 PolarHBondContact O-N 3.12Å; L43-C47 PolarHBondContact O-SG 2.99Å
44I89.6Confident92.6Very high33 Ų3378.8 Ų78.817%0.16940%0.395CS..Hα-helixtrans-59.3-47.3175.4-71.1163.1000110.2I20 V29 L32 K40 L46 C47 D48I20-I44 HydrophobicContact CD1-CG2 3.51Å; V29-I44 HydrophobicContact CG1-CD1 3.82Å; V29-I44 HydrophobicContact CG2-CD1 4.34Å; V29-I44 HydrophobicContact CG2-CG1 4.44Å; L32-I44 HydrophobicContact CD1-CG1 3.82Å; K40-I44 WeakPolarHBondContact O-CB 3.46Å; K40-I44 WeakPolarHBondContact O-CD1 3.45Å; K40-I44 WeakPolarHBondContact O-CG1 3.48Å; K40-I44 PolarHBondContact O-N 2.92Å; I44-L46 PolarHBondContact O-N 3.5Å; I44-C47 PolarHBondContact O-N 2.62Å; I44-D48 PolarHBondContact O-N 3.41Å
45H92.1Very high93.1Very high94 Ų9476.5 Ų76.544%0.43539%0.387SS..Hα-helixtrans-62.5-39.8177.5-175.562.7000113.2N41 N42 L43 K49N41-H45 WeakPolarHBondContact O-CB 3.41Å; N41-H45 PolarHBondContact O-N 3.19Å; N41-H45 VanDerWaalsContact O-N 3.07Å; N42-H45 PolarHBondContact O-N 3.11Å; L43-H45 VanDerWaalsContact C-N 3.34Å; L43-H45 PolarHBondContact O-N 3.46Å; H45-K49 VanDerWaalsContact NE2-CE 3.31Å; H45-K49 WeakPolarHBondContact NE2-CE 3.36Å; H45-K49 PolarHBondContact O-N 3.45Å; H45-K49 VanDerWaalsContact O-N 3.13Å
46L94.8Very high93.3Very high90 Ų9070.8 Ų70.847%0.47136%0.362SS..Hα-helixtrans-66.5-41.1175.4-73.7170.8000111.8N42 L43 I44 K49 L50N42-L46 WeakPolarHBondContact O-CB 3.34Å; N42-L46 VanDerWaalsContact O-CG 3.26Å; N42-L46 WeakPolarHBondContact O-CG 3.29Å; N42-L46 PolarHBondContact O-N 3.06Å; L43-L46 PolarHBondContact O-N 2.77Å; I44-L46 PolarHBondContact O-N 3.5Å; L46-K49 PolarHBondContact O-N 2.87Å; L46-L50 WeakPolarHBondContact O-CB 3.47Å; L46-L50 PolarHBondContact O-N 2.76Å
47C94Very high93.4Very high26 Ų2666 Ų6618%0.17635%0.35CS..Hα-helixtrans-62.5-45.5175.5-67.90000111F28 L43 I44 K49 L50 F51F28-C47 HydrophobicContact CE1-CB 4.47Å; L43-C47 WeakPolarHBondContact O-CB 3.29Å; L43-C47 PolarHBondContact O-N 3.12Å; L43-C47 PolarHBondContact O-SG 2.99Å; I44-C47 PolarHBondContact O-N 2.62Å; C47-K49 PolarHBondContact O-N 3.17Å; C47-L50 WeakPolarHBondContact O-CB 3.35Å; C47-L50 PolarHBondContact O-N 3.32Å; C47-L50 VanDerWaalsContact O-N 3.13Å; C47-F51 HydrophobicContact CB-CE1 4.46Å; C47-F51 HydrophobicContact CB-CE2 3.85Å; C47-F51 HydrophobicContact CB-CZ 3.83Å; C47-F51 WeakPolarHBondContact O-CB 3.26Å; C47-F51 WeakPolarHBondContact O-CD1 3.15Å; C47-F51 VanDerWaalsContact O-CD2 3.26Å; C47-F51 WeakPolarHBondContact O-CD2 3.29Å; C47-F51 WeakPolarHBondContact O-CG 3.41Å; C47-F51 PolarHBondContact O-N 3.4Å
48D92.2Very high93.8Very high30 Ų3063.6 Ų63.616%0.1634%0.335CS..Hα-helixtrans-57.3-47.7177.3178.756.2000112.4I44 L50 F51 C52 S89I44-D48 PolarHBondContact O-N 3.41Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-L50 PolarHBondContact O-N 3.24Å; D48-F51 PolarHBondContact O-N 2.68Å; D48-C52 PolarHBondContact O-N 2.9Å; D48-C52 PolarHBondContact O-SG 2.83Å; D48-S89 VanDerWaalsContact OD1-CB 3.31Å; D48-S89 WeakPolarHBondContact OD1-CB 3.45Å; D48-S89 PolarHBondContact OD1-OG 2.86Å; D48-S89 PolarHBondContact OD2-OG 3.14Å
49K93.9Very high93.9Very high109 Ų10958.8 Ų58.847%0.47432%0.318SS..Hα-helixtrans-61-42174.5-73.8-173.6178.2-177.70112.6H45 L46 C47 C52 S53H45-K49 VanDerWaalsContact NE2-CE 3.31Å; H45-K49 WeakPolarHBondContact NE2-CE 3.36Å; H45-K49 PolarHBondContact O-N 3.45Å; H45-K49 VanDerWaalsContact O-N 3.13Å; L46-K49 PolarHBondContact O-N 2.87Å; C47-K49 PolarHBondContact O-N 3.17Å; K49-C52 PolarHBondContact O-N 2.98Å; K49-S53 PolarHBondContact O-N 2.82Å; K49-S53 VanDerWaalsContact O-N 3.16Å
50L95.2Very high93.9Very high94 Ų9456.5 Ų56.549%0.49231%0.307SS..Hα-helixtrans-60.8-49.3176.8172.462.9000110.4L46 C47 D48 C52 S53 L54L46-L50 WeakPolarHBondContact O-CB 3.47Å; L46-L50 PolarHBondContact O-N 2.76Å; C47-L50 WeakPolarHBondContact O-CB 3.35Å; C47-L50 PolarHBondContact O-N 3.32Å; C47-L50 VanDerWaalsContact O-N 3.13Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-L50 PolarHBondContact O-N 3.24Å; L50-C52 VanDerWaalsContact C-N 3.31Å; L50-C52 PolarHBondContact O-N 2.87Å; L50-S53 WeakPolarHBondContact O-CA 3.23Å; L50-S53 WeakPolarHBondContact O-CB 3.39Å; L50-S53 PolarHBondContact O-N 2.92Å; L50-S53 PolarHBondContact O-OG 2.85Å; L50-L54 PolarHBondContact O-N 3.17Å
51F95.6Very high94Very high21 Ų2156.9 Ų56.99%0.09231%0.313CS..Hα-helixtrans-59.1-42-180-61.6-22.4000112.2R14 E18 N23 F28 C47 D48 S53 L54R14-F51 WeakPolarHBondContact CD-O 3.29Å; E18-F51 HydrophobicContact CB-CB 3.88Å; E18-F51 HydrophobicContact CB-CD1 3.58Å; E18-F51 HydrophobicContact CB-CD2 4.21Å; E18-F51 HydrophobicContact CB-CE1 4.15Å; E18-F51 HydrophobicContact CB-CG 3.61Å; E18-F51 HydrophobicContact CG-CD1 3.48Å; E18-F51 VanDerWaalsContact CG-CD1 3.48Å; E18-F51 HydrophobicContact CG-CE1 3.72Å; E18-F51 HydrophobicContact CG-CG 4.08Å; E18-F51 HydrophobicContact CG-CZ 4.48Å; N23-F51 WeakPolarHBondContact OD1-CE2 3.34Å; F28-F51 HydrophobicContact CE1-CZ 4.34Å; C47-F51 HydrophobicContact CB-CE1 4.46Å; C47-F51 HydrophobicContact CB-CE2 3.85Å; C47-F51 HydrophobicContact CB-CZ 3.83Å; C47-F51 WeakPolarHBondContact O-CB 3.26Å; C47-F51 WeakPolarHBondContact O-CD1 3.15Å; C47-F51 VanDerWaalsContact O-CD2 3.26Å; C47-F51 WeakPolarHBondContact O-CD2 3.29Å; C47-F51 WeakPolarHBondContact O-CG 3.41Å; C47-F51 PolarHBondContact O-N 3.4Å; D48-F51 PolarHBondContact O-N 2.68Å; F51-S53 PolarHBondContact O-N 2.85Å; F51-L54 HydrophobicContact CD1-CD1 4.38Å; F51-L54 PolarHBondContact O-N 2.84Å
52C93.6Very high94Very high2 Ų257.6 Ų57.61%0.01431%0.313CS..Hα-helixtrans-62.9-29.4174.4-68.20000113.4D48 K49 L50 F86 S89D48-C52 PolarHBondContact O-N 2.9Å; D48-C52 PolarHBondContact O-SG 2.83Å; K49-C52 PolarHBondContact O-N 2.98Å; L50-C52 VanDerWaalsContact C-N 3.31Å; L50-C52 PolarHBondContact O-N 2.87Å; C52-F86 HydrophobicContact CB-CD1 3.67Å; C52-F86 HydrophobicContact CB-CE1 4.03Å; C52-F86 HydrophobicContact CB-CG 4.33Å; C52-S89 VanDerWaalsContact SG-CA 3.59Å
53S94.7Very high93.8Very high54 Ų5454.3 Ų54.338%0.37829%0.293SS..Hα-helixtrans-80.1-22.9-179.277.90000113.8K49 L50 F51K49-S53 PolarHBondContact O-N 2.82Å; K49-S53 VanDerWaalsContact O-N 3.16Å; L50-S53 WeakPolarHBondContact O-CA 3.23Å; L50-S53 WeakPolarHBondContact O-CB 3.39Å; L50-S53 PolarHBondContact O-N 2.92Å; L50-S53 PolarHBondContact O-OG 2.85Å; F51-S53 PolarHBondContact O-N 2.85Å
54L96.2Very high93.9Very high23 Ų2352 Ų5212%0.1228%0.281CS..SBendtrans-61143.4-178-70.5173.8000111.8L12 R14 E18 L50 F51 R85L12-L54 HydrophobicContact CB-CD2 4.06Å; R14-L54 HydrophobicContact CB-CB 3.82Å; R14-L54 HydrophobicContact CB-CD1 4.43Å; R14-L54 HydrophobicContact CG-CB 4.45Å; E18-L54 HydrophobicContact CB-CD1 4.45Å; E18-L54 HydrophobicContact CG-CD1 3.89Å; L50-L54 PolarHBondContact O-N 3.17Å; F51-L54 HydrophobicContact CD1-CD1 4.38Å; F51-L54 PolarHBondContact O-N 2.84Å; L54-R85 PolarHBondContact O-NE 3.35Å; L54-R85 PolarHBondContact O-NH2 3.01Å
55P96.2Very high94.3Very high62 Ų6250.8 Ų50.840%0.40328%0.275SS..  trans-57.1139.2165.4-22.331.8000111.1L12 N13 R14L12-P55 WeakPolarHBondContact O-CD 3.45Å; N13-P55 CarbonylContact C-O 3.42Å; N13-P55 VanDerWaalsContact CA-O 3.24Å; N13-P55 WeakPolarHBondContact CA-O 2.72Å; R14-P55 PolarHBondContact N-O 2.88Å
56I95.9Very high94.6Very high12 Ų1248.3 Ų48.36%0.06226%0.264CS..SBendtrans-91.2-5.3177.955.1-178.5000113.2R14 L80 V110 L113R14-I56 HydrophobicContact CB-CG2 4.27Å; I56-L80 HydrophobicContact CD1-CB 4.32Å; I56-L80 HydrophobicContact CD1-CD2 3.3Å; I56-L80 HydrophobicContact CD1-CG 4.41Å; I56-L80 HydrophobicContact CG1-CD2 4.46Å; I56-V110 HydrophobicContact CD1-CG2 4.07Å; I56-V110 HydrophobicContact CG2-CG1 4.02Å; I56-L113 HydrophobicContact CB-CD1 4.41Å; I56-L113 HydrophobicContact CD1-CD1 4.16Å; I56-L113 HydrophobicContact CG1-CD1 4.17Å
57G96.8Very high94.7Very high22 Ų2244.2 Ų44.223%0.22724%0.243CC..EExtended strand (participates in β ladder)trans-172.9165.917400000110.5I66G57-I66 CarbonylContact C-O 3.53Å; G57-I66 WeakPolarHBondContact CA-O 3.01Å
58A97.3Very high95Very high33 Ų3344.5 Ų44.527%0.27324%0.242SC..EExtended strand (participates in β ladder)trans-130.3152.3178.100000110.2I66A58-I66 HydrophobicContact CB-CB 4.35Å; A58-I66 PolarHBondContact N-O 2.9Å; A58-I66 PolarHBondContact O-N 2.73Å
59I96Very high95.3Very high97 Ų9743.1 Ų43.150%0.49723%0.234SC..EExtended strand (participates in β ladder)trans-116.8121.4174-61.1161.9000106.9I64 F65 F150I59-I64 CarbonylContact C-O 3.57Å; I59-I64 WeakPolarHBondContact CA-O 3.32Å; I59-F65 HydrophobicContact CG1-CD2 4.25Å; I59-F150 HydrophobicContact CD1-CE2 4.5Å; I59-F150 HydrophobicContact CD1-CZ 3.74Å; I59-F150 HydrophobicContact CG1-CE2 4.32Å; I59-F150 HydrophobicContact CG1-CZ 3.82Å; I59-F150 HydrophobicContact CG2-CE1 3.86Å; I59-F150 HydrophobicContact CG2-CZ 3.94Å
60V93.6Very high95.5Very high49 Ų4937.9 Ų37.930%0.29721%0.212SC..EExtended strand (participates in β ladder)trans-104.2119.1177.7-179.90000109E62 R63 I64 I66 V194V60-E62 PolarHBondContact O-N 3.21Å; V60-E62 VanDerWaalsContact O-N 3.12Å; V60-R63 PolarHBondContact O-N 3.41Å; V60-I64 HydrophobicContact CB-CB 4.24Å; V60-I64 PolarHBondContact N-O 3.17Å; V60-I64 PolarHBondContact O-N 3.36Å; V60-I64 VanDerWaalsContact O-N 3.08Å; V60-I66 HydrophobicContact CG2-CD1 3.65Å; V60-I66 HydrophobicContact CG2-CG1 4.34Å; V60-V194 HydrophobicContact CG1-CG1 4.2Å
61N88.8Confident95.6Very high86 Ų8633.4 Ų33.446%0.4619%0.188SC..THydrogen-bonded Turntrans50.536.2176.2-156.831.8000114R63 I230N61-R63 WeakPolarHBondContact O-CB 3.4Å; N61-R63 WeakPolarHBondContact O-CG 3.48Å; N61-R63 PolarHBondContact O-N 3.31Å; N61-I230 HydrophobicContact CB-CD1 3.7Å; N61-I230 WeakPolarHBondContact ND2-CD1 3.48Å; N61-I230 WeakPolarHBondContact ND2-CG1 3.26Å
62E89.5Confident95.8Very high134 Ų13432.6 Ų32.663%0.62619%0.185SC*.THydrogen-bonded Turntrans55.222.9-178.7-54.4177.2177.800114.5V60V60-E62 PolarHBondContact O-N 3.21Å; V60-E62 VanDerWaalsContact O-N 3.12Å
63R89.7Confident96Very high21 Ų2138.7 Ų38.78%0.07921%0.211CC..THydrogen-bonded Turntrans-132.9-35.3-166.9-76-84.7-112.3-86.312.9113V60 N61 S151 M152 P215 K217 I230V60-R63 PolarHBondContact O-N 3.41Å; N61-R63 WeakPolarHBondContact O-CB 3.4Å; N61-R63 WeakPolarHBondContact O-CG 3.48Å; N61-R63 PolarHBondContact O-N 3.31Å; R63-S151 PolarHBondContact O-N 3.29Å; R63-S151 PolarHBondContact O-OG 2.66Å; R63-M152 PolarHBondContact O-N 3.05Å; R63-P215 PolarHBondContact NE-O 3.45Å; R63-K217 VanDerWaalsContact NH1-CB 3.31Å; R63-I230 HydrophobicContact CB-CD1 3.44Å; R63-I230 VanDerWaalsContact CB-CD1 3.44Å; R63-I230 HydrophobicContact CG-CD1 3.53Å
64I95.8Very high96.1Very high0 Ų040.6 Ų40.60%021%0.214CC..EExtended strand (participates in β ladder)trans-117.2123.6-178-58.5165.7000107.9I59 V60 I66 M152 I154 V194 P215 I230 V232I59-I64 CarbonylContact C-O 3.57Å; I59-I64 WeakPolarHBondContact CA-O 3.32Å; V60-I64 HydrophobicContact CB-CB 4.24Å; V60-I64 PolarHBondContact N-O 3.17Å; V60-I64 PolarHBondContact O-N 3.36Å; V60-I64 VanDerWaalsContact O-N 3.08Å; I64-I66 HydrophobicContact CG2-CG1 3.96Å; I64-M152 WeakPolarHBondContact CA-O 3.26Å; I64-M152 HydrophobicContact CG1-CB 4.42Å; I64-I154 HydrophobicContact CD1-CD1 4.48Å; I64-I154 HydrophobicContact CG2-CB 4.29Å; I64-I154 HydrophobicContact CG2-CD1 3.62Å; I64-I154 HydrophobicContact CG2-CG1 3.61Å; I64-V194 HydrophobicContact CD1-CG1 3.85Å; I64-V194 HydrophobicContact CD1-CG2 4.23Å; I64-P215 HydrophobicContact CD1-CG 4.25Å; I64-P215 HydrophobicContact CG1-CB 4.4Å; I64-P215 HydrophobicContact CG1-CG 4.21Å; I64-I230 HydrophobicContact CD1-CG2 3.89Å; I64-V232 HydrophobicContact CD1-CG2 3.63Å
65F98.1Very high96.2Very high7 Ų740.5 Ų40.53%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-91.7132.3167.3-178.9-115.7000109.4I59 C67 I71 L77 L113 F144 F150 M152 I153 I154I59-F65 HydrophobicContact CG1-CD2 4.25Å; F65-C67 HydrophobicContact CE1-CB 3.72Å; F65-C67 HydrophobicContact CZ-CB 4.02Å; F65-I71 HydrophobicContact CD1-CG2 4.41Å; F65-I71 HydrophobicContact CE1-CG2 4.06Å; F65-L77 HydrophobicContact CE2-CD2 3.85Å; F65-L77 HydrophobicContact CZ-CD2 3.97Å; F65-L113 HydrophobicContact CE1-CD2 3.88Å; F65-L113 HydrophobicContact CZ-CD1 4.31Å; F65-L113 HydrophobicContact CZ-CD2 3.87Å; F65-F144 HydrophobicContact CB-CE1 4.25Å; F65-F144 AromaticContact CD1-CE1 3.86Å; F65-F144 HydrophobicContact CD1-CE1 3.86Å; F65-F144 AromaticContact CD1-CZ 3.78Å; F65-F144 HydrophobicContact CD1-CZ 3.78Å; F65-F144 HydrophobicContact CE1-CZ 4.06Å; F65-F144 HydrophobicContact CG-CE1 4.17Å; F65-F144 HydrophobicContact CG-CZ 4.07Å; F65-F150 HydrophobicContact CB-CD2 3.65Å; F65-F150 HydrophobicContact CB-CE2 3.88Å; F65-F150 HydrophobicContact CD2-CE2 4.13Å; F65-F150 HydrophobicContact CG-CD2 4.4Å; F65-F150 HydrophobicContact CG-CE2 4.27Å; F65-M152 PolarHBondContact N-O 3.32Å; F65-I153 HydrophobicContact CD1-CG2 4.41Å; F65-I153 CarbonylContact O-C 3.56Å; F65-I153 VanDerWaalsContact O-CA 3.29Å; F65-I153 WeakPolarHBondContact O-CA 3.36Å; F65-I154 PolarHBondContact O-N 3.05Å
66I98.4Very high96.2Very high43 Ų4341 Ų4122%0.22121%0.214CC..EExtended strand (participates in β ladder)trans-118.3122.4178-50.6-172.4000108.8G57 A58 V60 I64 I154G57-I66 CarbonylContact C-O 3.53Å; G57-I66 WeakPolarHBondContact CA-O 3.01Å; A58-I66 HydrophobicContact CB-CB 4.35Å; A58-I66 PolarHBondContact N-O 2.9Å; A58-I66 PolarHBondContact O-N 2.73Å; V60-I66 HydrophobicContact CG2-CD1 3.65Å; V60-I66 HydrophobicContact CG2-CG1 4.34Å; I64-I66 HydrophobicContact CG2-CG1 3.96Å; I66-I154 VanDerWaalsContact CA-O 3.26Å; I66-I154 WeakPolarHBondContact CA-O 3.09Å; I66-I154 HydrophobicContact CG1-CB 4.22Å
67C98.3Very high96.2Very high3 Ų342.4 Ų42.42%0.0222%0.221CC..EExtended strand (participates in β ladder)trans-133170.2171.363.70000110.5F65 G70 L113 I154 R155F65-C67 HydrophobicContact CE1-CB 3.72Å; F65-C67 HydrophobicContact CZ-CB 4.02Å; C67-G70 PolarHBondContact SG-O 2.91Å; C67-G70 VanDerWaalsContact SG-O 3.39Å; C67-L113 HydrophobicContact CB-CD2 4.1Å; C67-I154 PolarHBondContact N-O 3.31Å; C67-R155 WeakPolarHBondContact O-CA 3.44Å
68H98.5Very high96.2Very high33 Ų3346.2 Ų46.215%0.15324%0.24CC..SBendtrans-76.5-58-180177.379.4000111.9G15 N16 L114 S156 H157G15-H68 WeakPolarHBondContact CA-ND1 3.37Å; N16-H68 PolarHBondContact N-CD2 3.16Å; N16-H68 VanDerWaalsContact N-CD2 3.33Å; N16-H68 PolarHBondContact N-NE2 3.31Å; N16-H68 PolarHBondContact OD1-NE2 3.47Å; H68-L114 HydrophobicContact CB-CD2 3.96Å; H68-L114 PolarHBondContact CD2-O 2.95Å; H68-L114 VanDerWaalsContact CD2-O 3.32Å; H68-S156 PolarHBondContact CE1-OG 3.29Å; H68-S156 PolarHBondContact ND1-OG 3.32Å; H68-S156 CarbonylContact O-C 3.56Å; H68-S156 WeakPolarHBondContact O-CA 3.08Å; H68-S156 PolarHBondContact O-N 3.2Å; H68-S156 PolarHBondContact O-OG 2.89Å; H68-H157 AromaticContact CD2-CG 3.97Å; H68-H157 AromaticContact CD2-ND1 3.67Å; H68-H157 AromaticContact NE2-CG 3.71Å; H68-H157 AromaticContact NE2-ND1 3.17Å; H68-H157 PolarHBondContact NE2-ND1 3.41Å; H68-H157 VanDerWaalsContact NE2-ND1 3.17Å; H68-H157 WeakPolarHBondContact O-CB 3.46Å; H68-H157 PolarHBondContact O-N 3.32Å
69G98.6Very high96.1Very high0 Ų047.3 Ų47.30%024%0.238CC..SBendtrans-88.7-109.8176.300000110L113 S116 R155G69-L113 VanDerWaalsContact CA-O 3.31Å; G69-L113 WeakPolarHBondContact CA-O 3.07Å; G69-L113 PolarHBondContact N-O 3.32Å; G69-S116 CarbonylContact C-O 3.57Å; G69-R155 VanDerWaalsContact C-CZ 3.47Å; G69-R155 WeakPolarHBondContact O-CB 3.47Å; G69-R155 WeakPolarHBondContact O-CD 3.44Å; G69-R155 PolarHBondContact O-NE 3.03Å; G69-R155 PolarHBondContact O-NH1 3.35Å
70G98.2Very high96Very high0 Ų043.1 Ų43.10%022%0.217CC..  trans-139-154.4-172.300000113C67 L113 S116C67-G70 PolarHBondContact SG-O 2.91Å; C67-G70 VanDerWaalsContact SG-O 3.39Å; G70-L113 WeakPolarHBondContact O-CA 3.47Å; G70-L113 VanDerWaalsContact O-CD2 3.23Å; G70-L113 WeakPolarHBondContact O-CD2 3.36Å; G70-S116 PolarHBondContact N-O 3.22Å
71I98.7Very high96Very high0 Ų049.4 Ų49.40%024%0.24CC..  trans-118.4178.8168.158.5163.5000108.8F65 T75 L113 S116 C134 F136 I140 F144 I153F65-I71 HydrophobicContact CD1-CG2 4.41Å; F65-I71 HydrophobicContact CE1-CG2 4.06Å; I71-T75 HydrophobicContact CB-CG2 4.49Å; I71-T75 HydrophobicContact CG2-CG2 4.27Å; I71-L113 HydrophobicContact CG2-CD2 4.33Å; I71-S116 WeakPolarHBondContact O-CB 3.24Å; I71-C134 PolarHBondContact O-SG 3.3Å; I71-C134 VanDerWaalsContact O-SG 3.33Å; I71-F136 HydrophobicContact CD1-CD2 4.32Å; I71-F136 HydrophobicContact CG1-CD2 3.68Å; I71-F136 HydrophobicContact CG1-CE2 3.86Å; I71-F136 HydrophobicContact CG1-CG 4.05Å; I71-F136 HydrophobicContact CG1-CZ 4.38Å; I71-F136 WeakPolarHBondContact O-CD1 3.33Å; I71-F136 WeakPolarHBondContact O-CG 3.28Å; I71-I140 HydrophobicContact CD1-CG2 4.06Å; I71-I140 HydrophobicContact CG1-CG2 4.43Å; I71-F144 HydrophobicContact CD1-CB 3.38Å; I71-F144 HydrophobicContact CD1-CD1 3.9Å; I71-F144 HydrophobicContact CD1-CD2 4.22Å; I71-F144 HydrophobicContact CD1-CG 3.57Å; I71-F144 HydrophobicContact CG2-CD1 4.34Å; I71-F144 HydrophobicContact CG2-CD2 4.35Å; I71-F144 HydrophobicContact CG2-CE1 4.19Å; I71-F144 HydrophobicContact CG2-CE2 4.2Å; I71-F144 HydrophobicContact CG2-CG 4.41Å; I71-F144 HydrophobicContact CG2-CZ 4.11Å; I71-I153 HydrophobicContact CD1-CD1 3.73Å; I71-I153 HydrophobicContact CG1-CD1 4.03Å; I71-I153 HydrophobicContact CG2-CD1 4.07Å
72S98.3Very high96.3Very high4 Ų452 Ų523%0.02825%0.253CS..  trans-139.2172.6169.375.70000110.3H74 T75 D112 C134S72-H74 PolarHBondContact O-N 3.13Å; S72-H74 PolarHBondContact OG-N 2.95Å; S72-T75 PolarHBondContact N-OG1 3.27Å; S72-T75 PolarHBondContact O-N 2.82Å; S72-T75 VanDerWaalsContact O-N 3.14Å; S72-T75 PolarHBondContact O-OG1 3.43Å; S72-D112 WeakPolarHBondContact CB-OD2 3.41Å; S72-D112 PolarHBondContact OG-OD2 3.45Å; S72-C134 WeakPolarHBondContact CB-SG 3.46Å
73K97.7Very high96.4Very high129 Ų12946.5 Ų46.556%0.56123%0.228SC*.THydrogen-bonded Turntrans-60.3-10.9172.666174.2171.2178.90114.2C124 I140K73-C124 HydrophobicContact CB-CB 3.9Å; K73-C124 HydrophobicContact CD-CB 4Å; K73-C124 HydrophobicContact CG-CB 3.88Å; K73-I140 HydrophobicContact CB-CD1 3.94Å
74H97Very high96.5Very high94 Ų9450 Ų5044%0.43525%0.248SC..THydrogen-bonded Turntrans-110.2-0.7-178-60.5-50.8000113S72 D76 Q109S72-H74 PolarHBondContact O-N 3.13Å; S72-H74 PolarHBondContact OG-N 2.95Å; H74-D76 PolarHBondContact O-N 3.42Å; H74-Q109 PolarHBondContact O-NE2 3.47Å; H74-Q109 PolarHBondContact O-OE1 3.13Å
75T98.2Very high96.3Very high22 Ų2252.7 Ų52.714%0.13526%0.259CS..  trans-60.6120.1-177.6-59.30000111.2I71 S72 L77 L80 L113 F144I71-T75 HydrophobicContact CB-CG2 4.49Å; I71-T75 HydrophobicContact CG2-CG2 4.27Å; S72-T75 PolarHBondContact N-OG1 3.27Å; S72-T75 PolarHBondContact O-N 2.82Å; S72-T75 VanDerWaalsContact O-N 3.14Å; S72-T75 PolarHBondContact O-OG1 3.43Å; T75-L77 HydrophobicContact CG2-CD2 4.28Å; T75-L80 HydrophobicContact CG2-CD1 3.94Å; T75-L113 HydrophobicContact CG2-CD2 4.13Å; T75-F144 HydrophobicContact CG2-CD2 4.24Å; T75-F144 HydrophobicContact CG2-CE2 3.72Å
76D97.4Very high95.9Very high71 Ų7158.5 Ų58.538%0.3828%0.284SS..  trans-127.2107.2-179.9177.5-15.5000109.6H74 V78 K79 L80H74-D76 PolarHBondContact O-N 3.42Å; D76-V78 VanDerWaalsContact C-N 3.32Å; D76-V78 PolarHBondContact O-N 2.89Å; D76-V78 WeakPolarHBondContact OD1-CA 3.38Å; D76-V78 WeakPolarHBondContact OD1-CB 3.26Å; D76-V78 PolarHBondContact OD1-N 2.88Å; D76-K79 HydrophobicContact CB-CB 3.86Å; D76-K79 PolarHBondContact O-N 2.84Å; D76-K79 PolarHBondContact OD1-N 3.46Å; D76-L80 WeakPolarHBondContact O-CB 3.34Å; D76-L80 WeakPolarHBondContact O-CD1 3.44Å; D76-L80 VanDerWaalsContact O-CG 3.23Å; D76-L80 WeakPolarHBondContact O-CG 3.46Å; D76-L80 PolarHBondContact O-N 3.47Å
77L96.1Very high95.4Very high42 Ų4261.3 Ų61.322%0.2230%0.295CS..Hα-helixtrans-68.6-28.5-177.5-60.1-173.7000113.4F65 T75 L80 K81 F144 T148 F150F65-L77 HydrophobicContact CE2-CD2 3.85Å; F65-L77 HydrophobicContact CZ-CD2 3.97Å; T75-L77 HydrophobicContact CG2-CD2 4.28Å; L77-L80 HydrophobicContact CD2-CD1 3.8Å; L77-K81 WeakPolarHBondContact O-CB 3.4Å; L77-K81 PolarHBondContact O-N 3.31Å; L77-F144 HydrophobicContact CD1-CE2 4.24Å; L77-F144 HydrophobicContact CD1-CZ 4.03Å; L77-F144 HydrophobicContact CD2-CE2 4.1Å; L77-F144 HydrophobicContact CD2-CZ 4.14Å; L77-F144 HydrophobicContact CG-CE2 4.07Å; L77-F144 HydrophobicContact CG-CZ 4.27Å; L77-T148 HydrophobicContact CD1-CG2 3.57Å; L77-T148 HydrophobicContact CG-CG2 4.23Å; L77-F150 HydrophobicContact CD1-CD2 4.49Å; L77-F150 HydrophobicContact CD1-CE2 3.48Å; L77-F150 VanDerWaalsContact CD1-CE2 3.48Å; L77-F150 HydrophobicContact CD1-CZ 3.99Å
78V95.3Very high94.9Very high102 Ų10261.4 Ų61.462%0.61830%0.295SS*.Hα-helixtrans-68.2-46.1176.2178.20000108.8D76 K81 L82D76-V78 VanDerWaalsContact C-N 3.32Å; D76-V78 PolarHBondContact O-N 2.89Å; D76-V78 WeakPolarHBondContact OD1-CA 3.38Å; D76-V78 WeakPolarHBondContact OD1-CB 3.26Å; D76-V78 PolarHBondContact OD1-N 2.88Å; V78-K81 PolarHBondContact O-N 3.11Å; V78-L82 HydrophobicContact CG1-CD1 4.44Å; V78-L82 WeakPolarHBondContact O-CG 3.42Å; V78-L82 PolarHBondContact O-N 2.6Å
79K95.2Very high94.3Very high56 Ų5661.5 Ų61.524%0.24330%0.3CS..Hα-helixtrans-60.6-52.7175.6-171.1167.1-171.2179.50111.3D76 K81 L82 L83 D106 Q109D76-K79 HydrophobicContact CB-CB 3.86Å; D76-K79 PolarHBondContact O-N 2.84Å; D76-K79 PolarHBondContact OD1-N 3.46Å; K79-K81 PolarHBondContact O-N 2.98Å; K79-L82 PolarHBondContact O-N 3.27Å; K79-L83 HydrophobicContact CG-CD2 4.2Å; K79-L83 WeakPolarHBondContact O-CG 3.07Å; K79-L83 PolarHBondContact O-N 3.41Å; K79-L83 VanDerWaalsContact O-N 3.11Å; K79-D106 WeakPolarHBondContact CE-OD1 3.5Å; K79-D106 IonicContact NZ-OD1 2.6Å; K79-D106 PolarHBondContact NZ-OD1 3.45Å; K79-Q109 HydrophobicContact CD-CG 4.08Å; K79-Q109 HydrophobicContact CG-CG 4.36Å
80L95.2Very high93.8Very high10 Ų1062 Ų625%0.05230%0.303CS..Hα-helixtrans-52.5-38.4178.3-77.5160.5000113.2I56 T75 D76 L77 L82 L83 Q109 V110 L113I56-L80 HydrophobicContact CD1-CB 4.32Å; I56-L80 HydrophobicContact CD1-CD2 3.3Å; I56-L80 HydrophobicContact CD1-CG 4.41Å; I56-L80 HydrophobicContact CG1-CD2 4.46Å; T75-L80 HydrophobicContact CG2-CD1 3.94Å; D76-L80 WeakPolarHBondContact O-CB 3.34Å; D76-L80 WeakPolarHBondContact O-CD1 3.44Å; D76-L80 VanDerWaalsContact O-CG 3.23Å; D76-L80 WeakPolarHBondContact O-CG 3.46Å; D76-L80 PolarHBondContact O-N 3.47Å; L77-L80 HydrophobicContact CD2-CD1 3.8Å; L80-L82 VanDerWaalsContact C-N 3.3Å; L80-L82 PolarHBondContact O-N 3.31Å; L80-L83 HydrophobicContact CD2-CD1 4.24Å; L80-Q109 HydrophobicContact CD2-CB 3.66Å; L80-Q109 HydrophobicContact CG-CB 4.05Å; L80-Q109 HydrophobicContact CG-CG 4.48Å; L80-V110 HydrophobicContact CD2-CG2 4.32Å; L80-L113 HydrophobicContact CD1-CD1 3.7Å; L80-L113 HydrophobicContact CD1-CG 4.3Å; L80-L113 HydrophobicContact CD2-CD1 3.68Å; L80-L113 HydrophobicContact CD2-CG 4.4Å; L80-L113 HydrophobicContact CG-CD1 4.37Å
81K94.1Very high93.3Very high181 Ų18162.1 Ų62.179%0.78730%0.303SS*.Hα-helixtrans-65.1-32.1177-174.5178.6-179.9-179.40113L77 V78 K79L77-K81 WeakPolarHBondContact O-CB 3.4Å; L77-K81 PolarHBondContact O-N 3.31Å; V78-K81 PolarHBondContact O-N 3.11Å; K79-K81 PolarHBondContact O-N 2.98Å
82L93.6Very high92.8Very high140 Ų14065.5 Ų65.573%0.73332%0.321SS*.Hα-helixtrans-94.3-10.9-176.2-62.3174.3000113.5V78 K79 L80 N84V78-L82 HydrophobicContact CG1-CD1 4.44Å; V78-L82 WeakPolarHBondContact O-CG 3.42Å; V78-L82 PolarHBondContact O-N 2.6Å; K79-L82 PolarHBondContact O-N 3.27Å; L80-L82 VanDerWaalsContact C-N 3.3Å; L80-L82 PolarHBondContact O-N 3.31Å; L82-N84 PolarHBondContact O-N 3.13Å
83L92.1Very high92.2Very high18 Ų1871.3 Ų71.39%0.09435%0.348CS..  trans-63131.9-177-71-176.6000112.9K79 L80 R85 D106 Q109 V110K79-L83 HydrophobicContact CG-CD2 4.2Å; K79-L83 WeakPolarHBondContact O-CG 3.07Å; K79-L83 PolarHBondContact O-N 3.41Å; K79-L83 VanDerWaalsContact O-N 3.11Å; L80-L83 HydrophobicContact CD2-CD1 4.24Å; L83-R85 HydrophobicContact CB-CG 4.44Å; L83-R85 PolarHBondContact O-N 3.38Å; L83-R85 VanDerWaalsContact O-N 3.12Å; L83-D106 WeakPolarHBondContact CD1-O 3.31Å; L83-D106 HydrophobicContact CD2-CB 3.5Å; L83-D106 VanDerWaalsContact CD2-CG 3.42Å; L83-Q109 HydrophobicContact CD1-CB 3.99Å; L83-Q109 HydrophobicContact CD1-CG 4.43Å; L83-V110 HydrophobicContact CD1-CG2 3.75Å
84N91.1Very high91.6Very high94 Ų9466.5 Ų66.550%0.50333%0.33SS..  trans-7892.4165.2-178.20.8000110.4L82 F86 K87L82-N84 PolarHBondContact O-N 3.13Å; N84-F86 VanDerWaalsContact C-N 3.27Å; N84-F86 PolarHBondContact O-N 3.17Å; N84-F86 PolarHBondContact OD1-N 2.73Å; N84-K87 PolarHBondContact O-N 3.41Å
85R91.6Very high90.9Very high57 Ų5764.8 Ų64.822%0.21533%0.328CS..G310 helixtrans-71-14.6-176.7-59.8-170.2-61.9-81.92.3114.7L54 L83 K87 L88L54-R85 PolarHBondContact O-NE 3.35Å; L54-R85 PolarHBondContact O-NH2 3.01Å; L83-R85 HydrophobicContact CB-CG 4.44Å; L83-R85 PolarHBondContact O-N 3.38Å; L83-R85 VanDerWaalsContact O-N 3.12Å; R85-K87 PolarHBondContact O-N 3.22Å; R85-L88 WeakPolarHBondContact O-CA 3.26Å; R85-L88 WeakPolarHBondContact O-CB 3.5Å; R85-L88 PolarHBondContact O-N 3.25Å
86F90.3Very high90.1Very high130 Ų13069.6 Ų69.657%0.5735%0.352SS*.G310 helixtrans-69.5-12.5176.6-69.6-81.3000113.4C52 N84 L88C52-F86 HydrophobicContact CB-CD1 3.67Å; C52-F86 HydrophobicContact CB-CE1 4.03Å; C52-F86 HydrophobicContact CB-CG 4.33Å; N84-F86 VanDerWaalsContact C-N 3.27Å; N84-F86 PolarHBondContact O-N 3.17Å; N84-F86 PolarHBondContact OD1-N 2.73Å; F86-L88 VanDerWaalsContact C-N 3.28Å
87K87.7Confident89.4Confident102 Ų10272.6 Ų72.644%0.44337%0.368SS..G310 helixtrans-81.4-7.6167.9-64-167.4173.3-1650113.3N84 R85 V102N84-K87 PolarHBondContact O-N 3.41Å; R85-K87 PolarHBondContact O-N 3.22Å; K87-V102 HydrophobicContact CB-CG2 4.46Å; K87-V102 WeakPolarHBondContact O-CG2 3.32Å
88L88.7Confident88.8Confident4 Ų473.2 Ų73.22%0.02139%0.385CS..  trans-111.450.9-173.2-54.8177.2000111.1R14 R85 F86 L91 V102 W107 V110R14-L88 PolarHBondContact NH1-O 3Å; R14-L88 PolarHBondContact NH2-O 3.21Å; R14-L88 VanDerWaalsContact NH2-O 3.15Å; R85-L88 WeakPolarHBondContact O-CA 3.26Å; R85-L88 WeakPolarHBondContact O-CB 3.5Å; R85-L88 PolarHBondContact O-N 3.25Å; F86-L88 VanDerWaalsContact C-N 3.28Å; L88-L91 HydrophobicContact CB-CD2 4.03Å; L88-L91 HydrophobicContact CD1-CD2 4.43Å; L88-L91 HydrophobicContact CD2-CD2 4.47Å; L88-V102 HydrophobicContact CD2-CB 4.38Å; L88-V102 HydrophobicContact CD2-CG1 3.31Å; L88-V102 HydrophobicContact CD2-CG2 4.17Å; L88-W107 HydrophobicContact CD2-CB 4.35Å; L88-V110 HydrophobicContact CD1-CB 3.98Å; L88-V110 HydrophobicContact CD1-CG1 4.43Å; L88-V110 HydrophobicContact CD1-CG2 3.48Å; L88-V110 VanDerWaalsContact CD1-CG2 3.48Å
89S84.5Confident88.1Confident36 Ų3676 Ų7625%0.25240%0.396SS..SBendtrans-57.7-51.6174.81620000110.8R14 D48 C52R14-S89 PolarHBondContact NH2-O 3.24Å; R14-S89 VanDerWaalsContact NH2-O 3.16Å; D48-S89 VanDerWaalsContact OD1-CB 3.31Å; D48-S89 WeakPolarHBondContact OD1-CB 3.45Å; D48-S89 PolarHBondContact OD1-OG 2.86Å; D48-S89 PolarHBondContact OD2-OG 3.14Å; C52-S89 VanDerWaalsContact SG-CA 3.59Å
90S88.5Confident87.3Confident11 Ų1178.9 Ų78.98%0.07741%0.414CS..  trans-114.8128.1170.8179.40000111D19 M21 L92 Q93D19-S90 WeakPolarHBondContact OD2-CA 3.43Å; M21-S90 WeakPolarHBondContact CG-OG 3.17Å; S90-L92 PolarHBondContact OG-N 2.87Å; S90-Q93 PolarHBondContact OG-N 3.35Å
91L89.2Confident86.9Confident1 Ų186.7 Ų86.71%0.00544%0.443CS..SBendtrans-87.6-26.6170.2-62.2175.1000111.5D19 L88 Q93 W107 V110 L111 L114D19-L91 PolarHBondContact OD2-N 2.75Å; L88-L91 HydrophobicContact CB-CD2 4.03Å; L88-L91 HydrophobicContact CD1-CD2 4.43Å; L88-L91 HydrophobicContact CD2-CD2 4.47Å; L91-Q93 VanDerWaalsContact C-N 3.33Å; L91-W107 VanDerWaalsContact O-CE2 3.31Å; L91-W107 WeakPolarHBondContact O-CZ2 3.46Å; L91-W107 PolarHBondContact O-NE1 3.19Å; L91-V110 HydrophobicContact CD1-CG1 3.82Å; L91-V110 HydrophobicContact CD2-CB 3.99Å; L91-V110 HydrophobicContact CD2-CG1 3.9Å; L91-V110 HydrophobicContact CG-CG1 4.49Å; L91-L111 HydrophobicContact CB-CD1 3.92Å; L91-L114 HydrophobicContact CD1-CB 4.43Å; L91-L114 HydrophobicContact CD1-CD1 3.47Å; L91-L114 VanDerWaalsContact CD1-CD1 3.47Å; L91-L114 HydrophobicContact CD1-CG 4.18Å
92L87.2Confident86.5Confident71 Ų7179 Ų7937%0.37241%0.412SS..SBendtrans-80.5-18.7176.3-64.2-174.1000112.9M21 V22 S90 W115 A132M21-L92 HydrophobicContact CB-CB 4.29Å; V22-L92 HydrophobicContact CG2-CD1 3.62Å; V22-L92 HydrophobicContact CG2-CG 4.4Å; S90-L92 PolarHBondContact OG-N 2.87Å; L92-W115 HydrophobicContact CD1-CH2 3.93Å; L92-W115 HydrophobicContact CD1-CZ2 3.71Å; L92-W115 HydrophobicContact CD2-CH2 4.21Å; L92-W115 HydrophobicContact CD2-CZ2 3.7Å; L92-W115 HydrophobicContact CG-CH2 4.47Å; L92-W115 HydrophobicContact CG-CZ2 3.85Å; L92-A132 HydrophobicContact CD2-CB 3.81Å
93Q85.7Confident86.4Confident126 Ų12676.3 Ų76.359%0.58940%0.398SS*.SBendtrans-138.471.7177.2-167.4176.71100110.2M21 S90 L91M21-Q93 HydrophobicContact CG-CB 4.02Å; M21-Q93 PolarHBondContact SD-OE1 2.93Å; S90-Q93 PolarHBondContact OG-N 3.35Å; L91-Q93 VanDerWaalsContact C-N 3.33Å
94P84.9Confident86.3Confident28 Ų2881.3 Ų81.318%0.18242%0.419CS..  trans-65.4148.7177.628.5-34.9000111.3L96 W107P94-L96 HydrophobicContact CG-CD2 4.1Å; P94-L96 PolarHBondContact O-N 2.7Å; P94-W107 HydrophobicContact CB-CG 4.24Å; P94-W107 HydrophobicContact CG-CD2 4.34Å; P94-W107 HydrophobicContact CG-CG 4.45Å; P94-W107 HydrophobicContact CG-CZ2 4.27Å
95C83.4Confident86.4Confident58 Ų5881 Ų8139%0.39242%0.417SS..  trans-70120.3171.2-173.30000109.4D97 R101 V102C95-D97 PolarHBondContact SG-O 2.84Å; C95-D97 VanDerWaalsContact SG-O 3.39Å; C95-R101 CarbonylContact O-C 3.56Å; C95-R101 WeakPolarHBondContact O-CA 3.34Å; C95-V102 HydrophobicContact CB-CG2 4.39Å; C95-V102 PolarHBondContact O-N 2.94Å
96L80.9Confident86.4Confident123 Ų12380.6 Ų80.664%0.64442%0.419SS*.  trans-100.8-15.5-177-60.1-178.9000113.5P94 R101P94-L96 HydrophobicContact CG-CD2 4.1Å; P94-L96 PolarHBondContact O-N 2.7Å; L96-R101 WeakPolarHBondContact O-CB 3.28Å
97D81.3Confident86.6Confident134 Ų13476.3 Ų76.372%0.71740%0.4SS*.SBendtrans-121155.5-169.8-61.4-48.5000113.1C95 R101C95-D97 PolarHBondContact SG-O 2.84Å; C95-D97 VanDerWaalsContact SG-O 3.39Å; D97-R101 PolarHBondContact O-N 3.5Å
98G84.5Confident87Confident56 Ų5673.6 Ų73.658%0.57739%0.388SS*.SBendtrans68.3-164.6174.700000115.1N100 R101G98-N100 PolarHBondContact O-N 3.3Å; G98-R101 WeakPolarHBondContact O-CB 3.4Å; G98-R101 VanDerWaalsContact O-CG 3.28Å; G98-R101 WeakPolarHBondContact O-CG 3.3Å; G98-R101 PolarHBondContact O-N 3.2Å; G98-R101 VanDerWaalsContact O-N 3.1Å
99D80.4Confident87.4Confident160 Ų16073.9 Ų73.986%0.85639%0.39SS*.THydrogen-bonded Turntrans-67.7-19.5-176.4-63.8-28.7000113.4
100N78.8Confident88Confident116 Ų11672.2 Ų72.262%0.6238%0.378SS*.THydrogen-bonded Turntrans-911.8177.1-69-30.1000113.2G98 V102G98-N100 PolarHBondContact O-N 3.3Å; N100-V102 PolarHBondContact O-N 3.18Å
101R85.8Confident88.4Confident175 Ų17572.2 Ų72.266%0.6638%0.377SS*.PPolyproline II helixtrans-54.7136.7177.674.6-177.4-179.6171.6-2.2111.1C95 L96 D97 G98C95-R101 CarbonylContact O-C 3.56Å; C95-R101 WeakPolarHBondContact O-CA 3.34Å; L96-R101 WeakPolarHBondContact O-CB 3.28Å; D97-R101 PolarHBondContact O-N 3.5Å; G98-R101 WeakPolarHBondContact O-CB 3.4Å; G98-R101 VanDerWaalsContact O-CG 3.28Å; G98-R101 WeakPolarHBondContact O-CG 3.3Å; G98-R101 PolarHBondContact O-N 3.2Å; G98-R101 VanDerWaalsContact O-N 3.1Å
102V87.1Confident88.8Confident20 Ų2072.4 Ų72.412%0.12138%0.378CS..PPolyproline II helixtrans-90.1135.5178.9-175.20000108.8K87 L88 C95 N100 F104 W107K87-V102 HydrophobicContact CB-CG2 4.46Å; K87-V102 WeakPolarHBondContact O-CG2 3.32Å; L88-V102 HydrophobicContact CD2-CB 4.38Å; L88-V102 HydrophobicContact CD2-CG1 3.31Å; L88-V102 HydrophobicContact CD2-CG2 4.17Å; C95-V102 HydrophobicContact CB-CG2 4.39Å; C95-V102 PolarHBondContact O-N 2.94Å; N100-V102 PolarHBondContact O-N 3.18Å; V102-F104 PolarHBondContact O-N 2.79Å; V102-W107 HydrophobicContact CG1-CB 3.72Å
103N90.4Very high89.3Confident83 Ų8369.1 Ų69.144%0.44436%0.361SS..PPolyproline II helixtrans-65.1125.9170.9179.5-71.4000109.1N105 D106 W107N103-N105 VanDerWaalsContact C-N 3.3Å; N103-N105 PolarHBondContact O-N 2.83Å; N103-N105 WeakPolarHBondContact OD1-CB 3.42Å; N103-N105 PolarHBondContact OD1-N 2.81Å; N103-D106 HydrophobicContact CB-CB 3.94Å; N103-D106 WeakPolarHBondContact O-CB 3.47Å; N103-D106 PolarHBondContact O-N 2.8Å; N103-D106 VanDerWaalsContact O-N 3.1Å; N103-D106 PolarHBondContact OD1-N 2.93Å; N103-D106 PolarHBondContact OD1-OD1 3.44Å; N103-W107 PolarHBondContact O-N 3.35Å
104F90.2Very high89.9Confident123 Ų12363.1 Ų63.154%0.53933%0.333SS..Hα-helixtrans-55.8-43.6-176.4178.9-92.4000112.9V102 D106 W107 Q108V102-F104 PolarHBondContact O-N 2.79Å; F104-D106 VanDerWaalsContact C-N 3.33Å; F104-D106 PolarHBondContact O-N 3.02Å; F104-W107 AromaticContact CD2-CE3 3.89Å; F104-W107 HydrophobicContact CD2-CE3 3.89Å; F104-W107 AromaticContact CD2-CZ3 3.97Å; F104-W107 HydrophobicContact CD2-CZ3 3.97Å; F104-W107 AromaticContact CE2-CE3 3.84Å; F104-W107 HydrophobicContact CE2-CE3 3.84Å; F104-W107 AromaticContact CE2-CZ3 3.45Å; F104-W107 HydrophobicContact CE2-CZ3 3.45Å; F104-W107 VanDerWaalsContact CE2-CZ3 3.45Å; F104-W107 HydrophobicContact CZ-CE3 4.44Å; F104-W107 AromaticContact CZ-CZ3 3.98Å; F104-W107 HydrophobicContact CZ-CZ3 3.98Å; F104-W107 PolarHBondContact O-N 2.93Å; F104-Q108 WeakPolarHBondContact O-CB 3.37Å; F104-Q108 PolarHBondContact O-N 3.34Å
105N92.6Very high90.5Very high88 Ų8862.6 Ų62.647%0.47133%0.327SS..Hα-helixtrans-67.5-37.2-179.6-65.1-27.2000111.2N103 Q108 Q109N103-N105 VanDerWaalsContact C-N 3.3Å; N103-N105 PolarHBondContact O-N 2.83Å; N103-N105 WeakPolarHBondContact OD1-CB 3.42Å; N103-N105 PolarHBondContact OD1-N 2.81Å; N105-Q108 PolarHBondContact O-N 3.39Å; N105-Q109 WeakPolarHBondContact O-CG 3.37Å; N105-Q109 PolarHBondContact O-N 3.22Å
106D92.6Very high91.2Very high48 Ų4859.8 Ų59.826%0.25731%0.308SS..Hα-helixtrans-66.7-43.8176.9-65.310.9000111.3K79 L83 N103 F104 Q109K79-D106 WeakPolarHBondContact CE-OD1 3.5Å; K79-D106 IonicContact NZ-OD1 2.6Å; K79-D106 PolarHBondContact NZ-OD1 3.45Å; L83-D106 WeakPolarHBondContact CD1-O 3.31Å; L83-D106 HydrophobicContact CD2-CB 3.5Å; L83-D106 VanDerWaalsContact CD2-CG 3.42Å; N103-D106 HydrophobicContact CB-CB 3.94Å; N103-D106 WeakPolarHBondContact O-CB 3.47Å; N103-D106 PolarHBondContact O-N 2.8Å; N103-D106 VanDerWaalsContact O-N 3.1Å; N103-D106 PolarHBondContact OD1-N 2.93Å; N103-D106 PolarHBondContact OD1-OD1 3.44Å; F104-D106 VanDerWaalsContact C-N 3.33Å; F104-D106 PolarHBondContact O-N 3.02Å; D106-Q109 WeakPolarHBondContact O-CB 3.35Å; D106-Q109 PolarHBondContact O-N 3.09Å
107W94.3Very high92Very high40 Ų4054 Ų5415%0.15228%0.278CS..Hα-helixtrans-59.2-47.8173.8167.475000111.5L88 L91 P94 V102 N103 F104 Q109 V110 L111L88-W107 HydrophobicContact CD2-CB 4.35Å; L91-W107 VanDerWaalsContact O-CE2 3.31Å; L91-W107 WeakPolarHBondContact O-CZ2 3.46Å; L91-W107 PolarHBondContact O-NE1 3.19Å; P94-W107 HydrophobicContact CB-CG 4.24Å; P94-W107 HydrophobicContact CG-CD2 4.34Å; P94-W107 HydrophobicContact CG-CG 4.45Å; P94-W107 HydrophobicContact CG-CZ2 4.27Å; V102-W107 HydrophobicContact CG1-CB 3.72Å; N103-W107 PolarHBondContact O-N 3.35Å; F104-W107 AromaticContact CD2-CE3 3.89Å; F104-W107 HydrophobicContact CD2-CE3 3.89Å; F104-W107 AromaticContact CD2-CZ3 3.97Å; F104-W107 HydrophobicContact CD2-CZ3 3.97Å; F104-W107 AromaticContact CE2-CE3 3.84Å; F104-W107 HydrophobicContact CE2-CE3 3.84Å; F104-W107 AromaticContact CE2-CZ3 3.45Å; F104-W107 HydrophobicContact CE2-CZ3 3.45Å; F104-W107 VanDerWaalsContact CE2-CZ3 3.45Å; F104-W107 HydrophobicContact CZ-CE3 4.44Å; F104-W107 AromaticContact CZ-CZ3 3.98Å; F104-W107 HydrophobicContact CZ-CZ3 3.98Å; F104-W107 PolarHBondContact O-N 2.93Å; W107-Q109 VanDerWaalsContact C-N 3.28Å; W107-Q109 PolarHBondContact O-N 3.27Å; W107-V110 PolarHBondContact O-N 3.32Å; W107-V110 VanDerWaalsContact O-N 3.09Å; W107-L111 HydrophobicContact CH2-CD2 3.55Å; W107-L111 HydrophobicContact CZ2-CD1 3.85Å; W107-L111 HydrophobicContact CZ2-CD2 3.64Å; W107-L111 HydrophobicContact CZ2-CG 4.21Å; W107-L111 HydrophobicContact CZ3-CD2 4.1Å; W107-L111 PolarHBondContact O-N 2.91Å
108Q95.7Very high92.9Very high44 Ų4448.2 Ų48.221%0.20625%0.247CC..Hα-helixtrans-60.3-37.5-178.2-174173.723.100112.1F104 N105 V110 L111 D112F104-Q108 WeakPolarHBondContact O-CB 3.37Å; F104-Q108 PolarHBondContact O-N 3.34Å; N105-Q108 PolarHBondContact O-N 3.39Å; Q108-V110 VanDerWaalsContact C-N 3.26Å; Q108-V110 PolarHBondContact O-N 3.44Å; Q108-L111 PolarHBondContact O-N 3.39Å; Q108-D112 WeakPolarHBondContact O-CB 3.41Å; Q108-D112 VanDerWaalsContact O-CG 3.32Å; Q108-D112 PolarHBondContact O-N 2.74Å
109Q96.7Very high93.4Very high11 Ų1146.7 Ų46.75%0.05123%0.225CC..Hα-helixtrans-52.8-45.4174.7-69.1-55.5-54.900112.1H74 K79 L80 L83 N105 D106 W107 L113H74-Q109 PolarHBondContact O-NE2 3.47Å; H74-Q109 PolarHBondContact O-OE1 3.13Å; K79-Q109 HydrophobicContact CD-CG 4.08Å; K79-Q109 HydrophobicContact CG-CG 4.36Å; L80-Q109 HydrophobicContact CD2-CB 3.66Å; L80-Q109 HydrophobicContact CG-CB 4.05Å; L80-Q109 HydrophobicContact CG-CG 4.48Å; L83-Q109 HydrophobicContact CD1-CB 3.99Å; L83-Q109 HydrophobicContact CD1-CG 4.43Å; N105-Q109 WeakPolarHBondContact O-CG 3.37Å; N105-Q109 PolarHBondContact O-N 3.22Å; D106-Q109 WeakPolarHBondContact O-CB 3.35Å; D106-Q109 PolarHBondContact O-N 3.09Å; W107-Q109 VanDerWaalsContact C-N 3.28Å; W107-Q109 PolarHBondContact O-N 3.27Å; Q109-L113 PolarHBondContact O-N 2.96Å
110V96.8Very high94.1Very high0 Ų045.9 Ų45.90%022%0.221CC..Hα-helixtrans-81.1-38.8-176.8-172.70000111.1I56 L80 L83 L88 L91 W107 Q108 D112 L113 L114I56-V110 HydrophobicContact CD1-CG2 4.07Å; I56-V110 HydrophobicContact CG2-CG1 4.02Å; L80-V110 HydrophobicContact CD2-CG2 4.32Å; L83-V110 HydrophobicContact CD1-CG2 3.75Å; L88-V110 HydrophobicContact CD1-CB 3.98Å; L88-V110 HydrophobicContact CD1-CG1 4.43Å; L88-V110 HydrophobicContact CD1-CG2 3.48Å; L88-V110 VanDerWaalsContact CD1-CG2 3.48Å; L91-V110 HydrophobicContact CD1-CG1 3.82Å; L91-V110 HydrophobicContact CD2-CB 3.99Å; L91-V110 HydrophobicContact CD2-CG1 3.9Å; L91-V110 HydrophobicContact CG-CG1 4.49Å; W107-V110 PolarHBondContact O-N 3.32Å; W107-V110 VanDerWaalsContact O-N 3.09Å; Q108-V110 VanDerWaalsContact C-N 3.26Å; Q108-V110 PolarHBondContact O-N 3.44Å; V110-D112 VanDerWaalsContact C-N 3.31Å; V110-D112 PolarHBondContact O-N 2.83Å; V110-L113 PolarHBondContact O-N 2.87Å; V110-L114 HydrophobicContact CG1-CD1 4.31Å; V110-L114 HydrophobicContact CG1-CG 4.46Å; V110-L114 WeakPolarHBondContact O-CG 3.31Å; V110-L114 PolarHBondContact O-N 3.33Å
111L97Very high94.8Very high12 Ų1247 Ų476%0.06322%0.22CC..Hα-helixtrans-54.6-49.4174.4-171.682.1000110.9L91 W107 Q108 L113 L114 W115 A132L91-L111 HydrophobicContact CB-CD1 3.92Å; W107-L111 HydrophobicContact CH2-CD2 3.55Å; W107-L111 HydrophobicContact CZ2-CD1 3.85Å; W107-L111 HydrophobicContact CZ2-CD2 3.64Å; W107-L111 HydrophobicContact CZ2-CG 4.21Å; W107-L111 HydrophobicContact CZ3-CD2 4.1Å; W107-L111 PolarHBondContact O-N 2.91Å; Q108-L111 PolarHBondContact O-N 3.39Å; L111-L113 PolarHBondContact O-N 3.5Å; L111-L114 PolarHBondContact O-N 3.1Å; L111-W115 HydrophobicContact CD1-CG 4.5Å; L111-W115 WeakPolarHBondContact O-CB 3.16Å; L111-W115 PolarHBondContact O-N 3.46Å; L111-A132 HydrophobicContact CD1-CB 4.03Å; L111-A132 HydrophobicContact CG-CB 4.42Å
112D98Very high95.4Very high4 Ų444.1 Ų44.12%0.02122%0.218CC..Hα-helixtrans-65.2-39.7-176.2-71.2-13.9000111.8S72 Q108 V110 L114 S116S72-D112 WeakPolarHBondContact CB-OD2 3.41Å; S72-D112 PolarHBondContact OG-OD2 3.45Å; Q108-D112 WeakPolarHBondContact O-CB 3.41Å; Q108-D112 VanDerWaalsContact O-CG 3.32Å; Q108-D112 PolarHBondContact O-N 2.74Å; V110-D112 VanDerWaalsContact C-N 3.31Å; V110-D112 PolarHBondContact O-N 2.83Å; D112-L114 PolarHBondContact O-N 2.88Å; D112-S116 VanDerWaalsContact CA-OG 3.29Å; D112-S116 WeakPolarHBondContact CA-OG 3.32Å; D112-S116 WeakPolarHBondContact O-CB 3.23Å; D112-S116 PolarHBondContact O-N 3.25Å; D112-S116 PolarHBondContact O-OG 3.38Å
113L98.1Very high95.9Very high2 Ų244.3 Ų44.31%0.0122%0.224CC..Hα-helixtrans-63.9-27.7176.8-77.4-168.8000114I56 F65 C67 G69 G70 I71 T75 L80 Q109 V110 L111I56-L113 HydrophobicContact CB-CD1 4.41Å; I56-L113 HydrophobicContact CD1-CD1 4.16Å; I56-L113 HydrophobicContact CG1-CD1 4.17Å; F65-L113 HydrophobicContact CE1-CD2 3.88Å; F65-L113 HydrophobicContact CZ-CD1 4.31Å; F65-L113 HydrophobicContact CZ-CD2 3.87Å; C67-L113 HydrophobicContact CB-CD2 4.1Å; G69-L113 VanDerWaalsContact CA-O 3.31Å; G69-L113 WeakPolarHBondContact CA-O 3.07Å; G69-L113 PolarHBondContact N-O 3.32Å; G70-L113 WeakPolarHBondContact O-CA 3.47Å; G70-L113 VanDerWaalsContact O-CD2 3.23Å; G70-L113 WeakPolarHBondContact O-CD2 3.36Å; I71-L113 HydrophobicContact CG2-CD2 4.33Å; T75-L113 HydrophobicContact CG2-CD2 4.13Å; L80-L113 HydrophobicContact CD1-CD1 3.7Å; L80-L113 HydrophobicContact CD1-CG 4.3Å; L80-L113 HydrophobicContact CD2-CD1 3.68Å; L80-L113 HydrophobicContact CD2-CG 4.4Å; L80-L113 HydrophobicContact CG-CD1 4.37Å; Q109-L113 PolarHBondContact O-N 2.96Å; V110-L113 PolarHBondContact O-N 2.87Å; L111-L113 PolarHBondContact O-N 3.5Å
114L97.9Very high96.2Very high1 Ų141.7 Ų41.71%0.00521%0.212CC..Hα-helixtrans-99.4-22.8-177.5-55.6-166.8000113.2R14 N16 H68 L91 V110 L111 D112R14-L114 HydrophobicContact CG-CD1 4.01Å; R14-L114 WeakPolarHBondContact O-CD2 3.07Å; N16-L114 HydrophobicContact CB-CB 4.31Å; N16-L114 WeakPolarHBondContact CB-O 3.32Å; H68-L114 HydrophobicContact CB-CD2 3.96Å; H68-L114 PolarHBondContact CD2-O 2.95Å; H68-L114 VanDerWaalsContact CD2-O 3.32Å; L91-L114 HydrophobicContact CD1-CB 4.43Å; L91-L114 HydrophobicContact CD1-CD1 3.47Å; L91-L114 VanDerWaalsContact CD1-CD1 3.47Å; L91-L114 HydrophobicContact CD1-CG 4.18Å; V110-L114 HydrophobicContact CG1-CD1 4.31Å; V110-L114 HydrophobicContact CG1-CG 4.46Å; V110-L114 WeakPolarHBondContact O-CG 3.31Å; V110-L114 PolarHBondContact O-N 3.33Å; L111-L114 PolarHBondContact O-N 3.1Å; D112-L114 PolarHBondContact O-N 2.88Å
115W97.9Very high96.5Very high16 Ų1642.6 Ų42.66%0.06121%0.212CC..Hα-helixtrans-123.1-11.7-170.2-71.289.1000115.8N16 V22 L92 L111 R130 A132N16-W115 HydrophobicContact CB-CD2 4.1Å; N16-W115 HydrophobicContact CB-CG 4.5Å; N16-W115 HydrophobicContact CB-CZ2 3.96Å; V22-W115 HydrophobicContact CG2-CH2 4.08Å; V22-W115 HydrophobicContact CG2-CZ2 3.7Å; L92-W115 HydrophobicContact CD1-CH2 3.93Å; L92-W115 HydrophobicContact CD1-CZ2 3.71Å; L92-W115 HydrophobicContact CD2-CH2 4.21Å; L92-W115 HydrophobicContact CD2-CZ2 3.7Å; L92-W115 HydrophobicContact CG-CH2 4.47Å; L92-W115 HydrophobicContact CG-CZ2 3.85Å; L111-W115 HydrophobicContact CD1-CG 4.5Å; L111-W115 WeakPolarHBondContact O-CB 3.16Å; L111-W115 PolarHBondContact O-N 3.46Å; W115-R130 HydrophobicContact CE3-CB 4.06Å; W115-R130 HydrophobicContact CZ3-CB 4.5Å; W115-A132 HydrophobicContact CB-CB 3.86Å; W115-A132 HydrophobicContact CD2-CB 3.61Å; W115-A132 HydrophobicContact CE3-CB 3.8Å; W115-A132 HydrophobicContact CG-CB 3.66Å
116S98.5Very high96.6Very high0 Ų043.7 Ų43.70%022%0.224CC..  trans-70.9153.2-178.8-56.40000111.7G69 G70 I71 D112 C134 R155G69-S116 CarbonylContact C-O 3.57Å; G70-S116 PolarHBondContact N-O 3.22Å; I71-S116 WeakPolarHBondContact O-CB 3.24Å; D112-S116 VanDerWaalsContact CA-OG 3.29Å; D112-S116 WeakPolarHBondContact CA-OG 3.32Å; D112-S116 WeakPolarHBondContact O-CB 3.23Å; D112-S116 PolarHBondContact O-N 3.25Å; D112-S116 PolarHBondContact O-OG 3.38Å; S116-C134 CarbonylContact C-O 3.53Å; S116-C134 WeakPolarHBondContact CA-O 3.35Å; S116-C134 WeakPolarHBondContact CB-O 3.35Å; S116-C134 PolarHBondContact OG-N 2.84Å; S116-C134 PolarHBondContact OG-SG 2.57Å; S116-R155 PolarHBondContact O-NH1 3.4Å; S116-R155 PolarHBondContact O-NH2 2.94Å
117D98.4Very high96.4Very high2 Ų241.6 Ų41.61%0.01121%0.212CC..EExtended strand (participates in β ladder)trans-125144.9176.7-72.5-34.7000109.9N127 R130 C134 Y135 F136 R155 H157 E158D117-N127 PolarHBondContact OD2-ND2 3.15Å; D117-R130 IonicContact OD1-NE 3.1Å; D117-R130 IonicContact OD1-NH2 3.38Å; D117-R130 PolarHBondContact OD1-NH2 3.1Å; D117-R130 IonicContact OD2-CZ 3.33Å; D117-R130 IonicContact OD2-NE 3.05Å; D117-R130 PolarHBondContact OD2-NE 3.24Å; D117-R130 IonicContact OD2-NH2 3.88Å; D117-R130 PolarHBondContact OD2-NH2 2.76Å; D117-R130 VanDerWaalsContact OD2-NH2 3.1Å; D117-C134 PolarHBondContact N-O 2.94Å; D117-Y135 HydrophobicContact CB-CD1 3.83Å; D117-Y135 HydrophobicContact CB-CE1 3.84Å; D117-Y135 CarbonylContact O-C 3.53Å; D117-Y135 WeakPolarHBondContact O-CA 3.17Å; D117-F136 WeakPolarHBondContact O-CD1 3.38Å; D117-F136 WeakPolarHBondContact O-CE1 3.32Å; D117-F136 PolarHBondContact O-N 2.93Å; D117-R155 VanDerWaalsContact CA-NH1 3.35Å; D117-R155 IonicContact OD1-CZ 2.7Å; D117-R155 IonicContact OD1-NH1 3.25Å; D117-R155 IonicContact OD1-NH2 3.56Å; D117-R155 PolarHBondContact OD1-NH2 2.9Å; D117-H157 IonicContact OD1-CD2 3.3Å; D117-H157 PolarHBondContact OD1-CD2 3.45Å; D117-H157 VanDerWaalsContact OD1-CD2 3.25Å; D117-H157 IonicContact OD1-NE2 2.87Å; D117-E158 VanDerWaalsContact OD1-CG 3.3Å; D117-E158 WeakPolarHBondContact OD1-CG 3.48Å
118P98.2Very high95.7Very high11 Ų1143 Ų437%0.07124%0.24CC..EExtended strand (participates in β ladder)trans-68.9159.7171.833-31.9000110.1F136 E158P118-F136 CarbonylContact C-O 3.52Å; P118-F136 WeakPolarHBondContact CA-O 3.43Å; P118-F136 HydrophobicContact CB-CE1 4.13Å; P118-F136 HydrophobicContact CB-CE2 4.14Å; P118-F136 HydrophobicContact CB-CZ 3.77Å; P118-F136 VanDerWaalsContact N-CE1 3.3Å; P118-E158 WeakPolarHBondContact CD-OE2 3.04Å
119Q95.5Very high94.9Very high24 Ų2446.1 Ų46.111%0.11225%0.253CS..  trans-144152.6170.161.116639.100110.7K121 Y135 F136 H168Q119-K121 VanDerWaalsContact C-N 3.27Å; Q119-K121 WeakPolarHBondContact CG-O 3.19Å; Q119-K121 PolarHBondContact NE2-O 2.89Å; Q119-K121 PolarHBondContact O-N 3.36Å; Q119-Y135 HydrophobicContact CB-CD1 4.36Å; Q119-F136 PolarHBondContact N-O 3.5Å; Q119-H168 PolarHBondContact O-NE2 3.28Å
120D94.9Very high94.2Very high143 Ų14349.2 Ų49.277%0.76526%0.264SS*.SBendtrans-69.7-24.6-177.1-58.2-35.2000113.8
121K94Very high93.7Very high140 Ų14052.5 Ų52.561%0.60930%0.298SS*.SBendtrans-87.7143.9-177.9-63.1-174.3-178.1-176.10111Q119 G137Q119-K121 VanDerWaalsContact C-N 3.27Å; Q119-K121 WeakPolarHBondContact CG-O 3.19Å; Q119-K121 PolarHBondContact NE2-O 2.89Å; Q119-K121 PolarHBondContact O-N 3.36Å; K121-G137 WeakPolarHBondContact O-CA 3.47Å
122D97.9Very high93.3Very high114 Ų11452.3 Ų52.361%0.6130%0.298SS*.SBendtrans-56.5156.6171.9-69.2-12000113.1P138 D139D122-P138 WeakPolarHBondContact OD1-CD 3.45Å; D122-P138 VanDerWaalsContact OD1-CG 3.22Å; D122-P138 WeakPolarHBondContact OD1-CG 3.4Å; D122-D139 VanDerWaalsContact CA-OD1 3.31Å; D122-D139 WeakPolarHBondContact CA-OD1 3.17Å; D122-D139 HydrophobicContact CB-CB 4.35Å
123G97.7Very high93.2Very high24 Ų2452.6 Ų52.625%0.24730%0.302CS..SBendtrans98-178.9175.900000113.9G137 D139 I140G123-G137 PolarHBondContact O-N 3.36Å; G123-D139 VanDerWaalsContact N-CG 3.29Å; G123-D139 PolarHBondContact N-OD1 3.35Å; G123-D139 PolarHBondContact N-OD2 2.94Å; G123-I140 WeakPolarHBondContact O-CG1 3.31Å
124C98.2Very high93.1Very high28 Ų2852.9 Ų52.919%0.18930%0.304CS..EExtended strand (participates in β ladder)trans-134.1122.3179.5-175.30000109.5K73 C134 Y135 I140K73-C124 HydrophobicContact CB-CB 3.9Å; K73-C124 HydrophobicContact CD-CB 4Å; K73-C124 HydrophobicContact CG-CB 3.88Å; C124-C134 PolarHBondContact SG-SG 2.77Å; C124-Y135 VanDerWaalsContact CA-O 3.28Å; C124-Y135 WeakPolarHBondContact CA-O 3.44Å; C124-I140 HydrophobicContact CB-CD1 3.96Å; C124-I140 HydrophobicContact CB-CG1 3.95Å
125R96.5Very high93.1Very high142 Ų14255.2 Ų55.254%0.53631%0.313SS..EExtended strand (participates in β ladder)trans-138155.2-176.962.9177.3176.9161.52.6111.4N127 C134 Y135R125-N127 PolarHBondContact O-N 2.92Å; R125-C134 CarbonylContact O-C 3.37Å; R125-C134 WeakPolarHBondContact O-CA 3.43Å; R125-C134 VanDerWaalsContact O-CB 3.23Å; R125-C134 WeakPolarHBondContact O-CB 3.34Å; R125-Y135 HydrophobicContact CG-CD2 4.29Å; R125-Y135 PolarHBondContact N-O 2.94Å; R125-Y135 PolarHBondContact O-N 3.25Å
126P93Very high93.2Very high112 Ų11254.4 Ų54.473%0.72731%0.31SS*.EExtended strand (participates in β ladder)trans-54.7140.8177.1-26.335.4000112.8G128P126-G128 PolarHBondContact O-N 3.29Å; P126-G128 VanDerWaalsContact O-N 3.1Å
127N88.6Confident93.2Very high3 Ų354.4 Ų54.42%0.01631%0.31CS..  trans-82.790.2177.5-170.7-28.8000110.1D117 R125 F129 R130 G131 A132 G133 Y135D117-N127 PolarHBondContact OD2-ND2 3.15Å; R125-N127 PolarHBondContact O-N 2.92Å; N127-F129 PolarHBondContact O-N 3.07Å; N127-F129 WeakPolarHBondContact OD1-CB 3.46Å; N127-F129 PolarHBondContact OD1-N 3.02Å; N127-F129 VanDerWaalsContact OD1-N 3.13Å; N127-R130 HydrophobicContact CB-CB 4.33Å; N127-R130 HydrophobicContact CB-CG 4.4Å; N127-R130 VanDerWaalsContact CG-CG 3.42Å; N127-R130 WeakPolarHBondContact ND2-CG 3.37Å; N127-R130 PolarHBondContact O-N 3.39Å; N127-R130 WeakPolarHBondContact OD1-CG 3.4Å; N127-R130 PolarHBondContact OD1-N 2.93Å; N127-G131 PolarHBondContact O-N 3.16Å; N127-A132 WeakPolarHBondContact CB-O 3.19Å; N127-G133 PolarHBondContact N-O 3.29Å; N127-Y135 HydrophobicContact CB-CD2 4.22Å; N127-Y135 HydrophobicContact CB-CE2 4.19Å; N127-Y135 WeakPolarHBondContact OD1-CE2 3.42Å; N127-Y135 VanDerWaalsContact OD1-CZ 3.25Å; N127-Y135 PolarHBondContact OD1-OH 3.14Å
128G81.1Confident93.2Very high70 Ų7055.6 Ų55.672%0.72232%0.318SS*.THydrogen-bonded Turntrans-64.3-21.7179.800000114.3P126P126-G128 PolarHBondContact O-N 3.29Å; P126-G128 VanDerWaalsContact O-N 3.1Å
129F77.1Confident93.2Very high109 Ų10957.9 Ų57.948%0.47833%0.33SS..THydrogen-bonded Turntrans-75.9-42.2177.8178.9-104000111.9N127 Y135N127-F129 PolarHBondContact O-N 3.07Å; N127-F129 WeakPolarHBondContact OD1-CB 3.46Å; N127-F129 PolarHBondContact OD1-N 3.02Å; N127-F129 VanDerWaalsContact OD1-N 3.13Å; F129-Y135 WeakPolarHBondContact CB-OH 3.36Å
130R82.7Confident93.4Very high76 Ų7657.7 Ų57.729%0.28733%0.329SS..THydrogen-bonded Turntrans-80.2-31.8178.2-58.4-62.4177.5173.69.7112.7W115 D117 N127 A132W115-R130 HydrophobicContact CE3-CB 4.06Å; W115-R130 HydrophobicContact CZ3-CB 4.5Å; D117-R130 IonicContact OD1-NE 3.1Å; D117-R130 IonicContact OD1-NH2 3.38Å; D117-R130 PolarHBondContact OD1-NH2 3.1Å; D117-R130 IonicContact OD2-CZ 3.33Å; D117-R130 IonicContact OD2-NE 3.05Å; D117-R130 PolarHBondContact OD2-NE 3.24Å; D117-R130 IonicContact OD2-NH2 3.88Å; D117-R130 PolarHBondContact OD2-NH2 2.76Å; D117-R130 VanDerWaalsContact OD2-NH2 3.1Å; N127-R130 HydrophobicContact CB-CB 4.33Å; N127-R130 HydrophobicContact CB-CG 4.4Å; N127-R130 VanDerWaalsContact CG-CG 3.42Å; N127-R130 WeakPolarHBondContact ND2-CG 3.37Å; N127-R130 PolarHBondContact O-N 3.39Å; N127-R130 WeakPolarHBondContact OD1-CG 3.4Å; N127-R130 PolarHBondContact OD1-N 2.93Å; R130-A132 WeakPolarHBondContact CB-O 3.27Å
131G85.5Confident93.5Very high69 Ų6950.9 Ų50.971%0.71129%0.293SS*.THydrogen-bonded Turntrans74.210.8-167.700000113.5N127N127-G131 PolarHBondContact O-N 3.16Å
132A89.2Confident93.7Very high8 Ų846.8 Ų46.87%0.06628%0.277CS..SBendtrans-154.8152.9-179.300000109.7L92 L111 W115 N127 R130L92-A132 HydrophobicContact CD2-CB 3.81Å; L111-A132 HydrophobicContact CD1-CB 4.03Å; L111-A132 HydrophobicContact CG-CB 4.42Å; W115-A132 HydrophobicContact CB-CB 3.86Å; W115-A132 HydrophobicContact CD2-CB 3.61Å; W115-A132 HydrophobicContact CE3-CB 3.8Å; W115-A132 HydrophobicContact CG-CB 3.66Å; N127-A132 WeakPolarHBondContact CB-O 3.19Å; R130-A132 WeakPolarHBondContact CB-O 3.27Å
133G95.5Very high93.7Very high11 Ų1144.8 Ų44.811%0.11327%0.272CS..SBendtrans66.5-162-17600000113.3N127N127-G133 PolarHBondContact N-O 3.29Å
134C97.2Very high93.7Very high7 Ų744.2 Ų44.25%0.04726%0.263CS..EExtended strand (participates in β ladder)trans-132.6162.3-176.5750000112.6I71 S72 S116 D117 C124 R125I71-C134 PolarHBondContact O-SG 3.3Å; I71-C134 VanDerWaalsContact O-SG 3.33Å; S72-C134 WeakPolarHBondContact CB-SG 3.46Å; S116-C134 CarbonylContact C-O 3.53Å; S116-C134 WeakPolarHBondContact CA-O 3.35Å; S116-C134 WeakPolarHBondContact CB-O 3.35Å; S116-C134 PolarHBondContact OG-N 2.84Å; S116-C134 PolarHBondContact OG-SG 2.57Å; D117-C134 PolarHBondContact N-O 2.94Å; C124-C134 PolarHBondContact SG-SG 2.77Å; R125-C134 CarbonylContact O-C 3.37Å; R125-C134 WeakPolarHBondContact O-CA 3.43Å; R125-C134 VanDerWaalsContact O-CB 3.23Å; R125-C134 WeakPolarHBondContact O-CB 3.34Å
135Y98.1Very high93.6Very high50 Ų5043.3 Ų43.320%0.19626%0.256CS..EExtended strand (participates in β ladder)trans-85.6135.1153.8-66.5-69.4000109.1D117 Q119 C124 R125 N127 F129D117-Y135 HydrophobicContact CB-CD1 3.83Å; D117-Y135 HydrophobicContact CB-CE1 3.84Å; D117-Y135 CarbonylContact O-C 3.53Å; D117-Y135 WeakPolarHBondContact O-CA 3.17Å; Q119-Y135 HydrophobicContact CB-CD1 4.36Å; C124-Y135 VanDerWaalsContact CA-O 3.28Å; C124-Y135 WeakPolarHBondContact CA-O 3.44Å; R125-Y135 HydrophobicContact CG-CD2 4.29Å; R125-Y135 PolarHBondContact N-O 2.94Å; R125-Y135 PolarHBondContact O-N 3.25Å; N127-Y135 HydrophobicContact CB-CD2 4.22Å; N127-Y135 HydrophobicContact CB-CE2 4.19Å; N127-Y135 WeakPolarHBondContact OD1-CE2 3.42Å; N127-Y135 VanDerWaalsContact OD1-CZ 3.25Å; N127-Y135 PolarHBondContact OD1-OH 3.14Å; F129-Y135 WeakPolarHBondContact CB-OH 3.36Å
136F98.7Very high93.5Very high0 Ų042.3 Ų42.30%026%0.262CS..EExtended strand (participates in β ladder)trans-124.4131.4176.566.2-82.5000111.2I71 D117 P118 Q119 I140 H168 V172I71-F136 HydrophobicContact CD1-CD2 4.32Å; I71-F136 HydrophobicContact CG1-CD2 3.68Å; I71-F136 HydrophobicContact CG1-CE2 3.86Å; I71-F136 HydrophobicContact CG1-CG 4.05Å; I71-F136 HydrophobicContact CG1-CZ 4.38Å; I71-F136 WeakPolarHBondContact O-CD1 3.33Å; I71-F136 WeakPolarHBondContact O-CG 3.28Å; D117-F136 WeakPolarHBondContact O-CD1 3.38Å; D117-F136 WeakPolarHBondContact O-CE1 3.32Å; D117-F136 PolarHBondContact O-N 2.93Å; P118-F136 CarbonylContact C-O 3.52Å; P118-F136 WeakPolarHBondContact CA-O 3.43Å; P118-F136 HydrophobicContact CB-CE1 4.13Å; P118-F136 HydrophobicContact CB-CE2 4.14Å; P118-F136 HydrophobicContact CB-CZ 3.77Å; P118-F136 VanDerWaalsContact N-CE1 3.3Å; Q119-F136 PolarHBondContact N-O 3.5Å; F136-I140 HydrophobicContact CB-CB 4.11Å; F136-I140 HydrophobicContact CB-CG1 4.4Å; F136-I140 HydrophobicContact CB-CG2 3.99Å; F136-H168 AromaticContact CD2-CE1 3.75Å; F136-H168 AromaticContact CE2-CE1 3.66Å; F136-H168 AromaticContact CE2-ND1 3.99Å; F136-H168 PolarHBondContact O-CE1 2.93Å; F136-H168 PolarHBondContact O-NE2 3.39Å; F136-V172 HydrophobicContact CE2-CG2 4.28Å
137G98.7Very high93.6Very high0 Ų042.6 Ų42.60%026%0.261CS..  trans-83.4-179.5179.400000114.5K121 G123 D139 I140 T141 H168K121-G137 WeakPolarHBondContact O-CA 3.47Å; G123-G137 PolarHBondContact O-N 3.36Å; G137-D139 VanDerWaalsContact C-N 3.35Å; G137-I140 PolarHBondContact O-N 3.09Å; G137-T141 PolarHBondContact O-N 2.99Å; G137-T141 PolarHBondContact O-OG1 2.86Å; G137-H168 VanDerWaalsContact C-CE1 3.48Å; G137-H168 PolarHBondContact O-CE1 2.85Å
138P98.6Very high93.8Very high26 Ų2644 Ų4417%0.16927%0.27CS..Hα-helixtrans-66.9-34177.625.5-30.6000112.4D122 I140 T141 D142 H168D122-P138 WeakPolarHBondContact OD1-CD 3.45Å; D122-P138 VanDerWaalsContact OD1-CG 3.22Å; D122-P138 WeakPolarHBondContact OD1-CG 3.4Å; P138-I140 VanDerWaalsContact C-N 3.31Å; P138-I140 PolarHBondContact O-N 3.07Å; P138-T141 WeakPolarHBondContact O-CB 3Å; P138-T141 PolarHBondContact O-N 2.89Å; P138-T141 VanDerWaalsContact O-N 3.13Å; P138-D142 WeakPolarHBondContact O-CB 3.45Å; P138-D142 VanDerWaalsContact O-CG 3.27Å; P138-D142 PolarHBondContact O-N 3.13Å; P138-H168 HydrophobicContact CB-CB 3.92Å
139D98.6Very high94.4Very high60 Ų6044.2 Ų44.232%0.32126%0.261SS..Hα-helixtrans-57.2-40.3172.466.7-44.3000113.2D122 G123 G137 D142 S143D122-D139 VanDerWaalsContact CA-OD1 3.31Å; D122-D139 WeakPolarHBondContact CA-OD1 3.17Å; D122-D139 HydrophobicContact CB-CB 4.35Å; G123-D139 VanDerWaalsContact N-CG 3.29Å; G123-D139 PolarHBondContact N-OD1 3.35Å; G123-D139 PolarHBondContact N-OD2 2.94Å; G137-D139 VanDerWaalsContact C-N 3.35Å; D139-D142 PolarHBondContact O-N 3.37Å; D139-S143 WeakPolarHBondContact O-CB 3.42Å; D139-S143 PolarHBondContact O-N 2.78Å
140I98.7Very high95.2Very high20 Ų2040.4 Ų40.410%0.10324%0.244CC..Hα-helixtrans-68.8-39176.8-54-55.2000110.8I71 K73 G123 C124 F136 G137 P138 F144I71-I140 HydrophobicContact CD1-CG2 4.06Å; I71-I140 HydrophobicContact CG1-CG2 4.43Å; K73-I140 HydrophobicContact CB-CD1 3.94Å; G123-I140 WeakPolarHBondContact O-CG1 3.31Å; C124-I140 HydrophobicContact CB-CD1 3.96Å; C124-I140 HydrophobicContact CB-CG1 3.95Å; F136-I140 HydrophobicContact CB-CB 4.11Å; F136-I140 HydrophobicContact CB-CG1 4.4Å; F136-I140 HydrophobicContact CB-CG2 3.99Å; G137-I140 PolarHBondContact O-N 3.09Å; P138-I140 VanDerWaalsContact C-N 3.31Å; P138-I140 PolarHBondContact O-N 3.07Å; I140-F144 WeakPolarHBondContact O-CB 3.17Å; I140-F144 PolarHBondContact O-N 2.97Å
141T98.5Very high95.7Very high0 Ų037.7 Ų37.70%024%0.236CC..Hα-helixtrans-63.7-46175.9-61.20000111G137 P138 F144 L145 I153 H168 K171 V172G137-T141 PolarHBondContact O-N 2.99Å; G137-T141 PolarHBondContact O-OG1 2.86Å; P138-T141 WeakPolarHBondContact O-CB 3Å; P138-T141 PolarHBondContact O-N 2.89Å; P138-T141 VanDerWaalsContact O-N 3.13Å; T141-F144 PolarHBondContact O-N 2.86Å; T141-L145 HydrophobicContact CG2-CD1 3.82Å; T141-L145 HydrophobicContact CG2-CG 4.32Å; T141-L145 WeakPolarHBondContact O-CB 3.49Å; T141-L145 VanDerWaalsContact O-CG 3.26Å; T141-L145 WeakPolarHBondContact O-CG 3.4Å; T141-L145 PolarHBondContact O-N 3.41Å; T141-I153 HydrophobicContact CG2-CD1 4.23Å; T141-H168 HydrophobicContact CG2-CB 4.28Å; T141-H168 PolarHBondContact OG1-CE1 3.03Å; T141-H168 PolarHBondContact OG1-ND1 2.98Å; T141-K171 HydrophobicContact CG2-CB 3.89Å; T141-V172 HydrophobicContact CG2-CG2 3.72Å
142D97.7Very high96.2Very high54 Ų5434.6 Ų34.629%0.28920%0.203SC..Hα-helixtrans-62.8-50.1-179.8-72.52000110.6P138 D139 F144 L145 D146 K171P138-D142 WeakPolarHBondContact O-CB 3.45Å; P138-D142 VanDerWaalsContact O-CG 3.27Å; P138-D142 PolarHBondContact O-N 3.13Å; D139-D142 PolarHBondContact O-N 3.37Å; D142-F144 VanDerWaalsContact C-N 3.32Å; D142-F144 PolarHBondContact O-N 3.32Å; D142-L145 PolarHBondContact O-N 3.2Å; D142-D146 WeakPolarHBondContact O-CB 3.22Å; D142-D146 VanDerWaalsContact O-CG 3.22Å; D142-D146 PolarHBondContact O-N 3.43Å; D142-K171 WeakPolarHBondContact OD1-CD 3.4Å; D142-K171 WeakPolarHBondContact OD1-CE 3.32Å; D142-K171 IonicContact OD1-NZ 2.6Å; D142-K171 PolarHBondContact OD1-NZ 3.46Å; D142-K171 IonicContact OD2-NZ 3.11Å; D142-K171 PolarHBondContact OD2-NZ 3.4Å; D142-K171 VanDerWaalsContact OD2-NZ 3.11Å
143S97.9Very high96.7Very high71 Ų7134.2 Ų34.250%0.49720%0.2SC..Hα-helixtrans-56.5-43.6176-179.60000112.9D139 T147D139-S143 WeakPolarHBondContact O-CB 3.42Å; D139-S143 PolarHBondContact O-N 2.78Å; S143-T147 VanDerWaalsContact O-CB 3.29Å; S143-T147 WeakPolarHBondContact O-CB 3.38Å; S143-T147 PolarHBondContact O-N 2.62Å; S143-T147 PolarHBondContact O-OG1 3.49Å
144F97.9Very high96.8Very high13 Ų1334.4 Ų34.46%0.05720%0.198CC..Hα-helixtrans-66.2-46.8177.8174.6-96.3000112.2F65 I71 T75 L77 I140 T141 D142 D146 T147 T148 F150 I153F65-F144 HydrophobicContact CB-CE1 4.25Å; F65-F144 AromaticContact CD1-CE1 3.86Å; F65-F144 HydrophobicContact CD1-CE1 3.86Å; F65-F144 AromaticContact CD1-CZ 3.78Å; F65-F144 HydrophobicContact CD1-CZ 3.78Å; F65-F144 HydrophobicContact CE1-CZ 4.06Å; F65-F144 HydrophobicContact CG-CE1 4.17Å; F65-F144 HydrophobicContact CG-CZ 4.07Å; I71-F144 HydrophobicContact CD1-CB 3.38Å; I71-F144 HydrophobicContact CD1-CD1 3.9Å; I71-F144 HydrophobicContact CD1-CD2 4.22Å; I71-F144 HydrophobicContact CD1-CG 3.57Å; I71-F144 HydrophobicContact CG2-CD1 4.34Å; I71-F144 HydrophobicContact CG2-CD2 4.35Å; I71-F144 HydrophobicContact CG2-CE1 4.19Å; I71-F144 HydrophobicContact CG2-CE2 4.2Å; I71-F144 HydrophobicContact CG2-CG 4.41Å; I71-F144 HydrophobicContact CG2-CZ 4.11Å; T75-F144 HydrophobicContact CG2-CD2 4.24Å; T75-F144 HydrophobicContact CG2-CE2 3.72Å; L77-F144 HydrophobicContact CD1-CE2 4.24Å; L77-F144 HydrophobicContact CD1-CZ 4.03Å; L77-F144 HydrophobicContact CD2-CE2 4.1Å; L77-F144 HydrophobicContact CD2-CZ 4.14Å; L77-F144 HydrophobicContact CG-CE2 4.07Å; L77-F144 HydrophobicContact CG-CZ 4.27Å; I140-F144 WeakPolarHBondContact O-CB 3.17Å; I140-F144 PolarHBondContact O-N 2.97Å; T141-F144 PolarHBondContact O-N 2.86Å; D142-F144 VanDerWaalsContact C-N 3.32Å; D142-F144 PolarHBondContact O-N 3.32Å; F144-D146 VanDerWaalsContact C-N 3.35Å; F144-T147 PolarHBondContact O-N 3.29Å; F144-T148 HydrophobicContact CD2-CG2 4.08Å; F144-T148 HydrophobicContact CE1-CG2 4.34Å; F144-T148 HydrophobicContact CE2-CG2 3.78Å; F144-T148 HydrophobicContact CG-CG2 4.49Å; F144-T148 HydrophobicContact CZ-CG2 3.94Å; F144-T148 WeakPolarHBondContact O-CB 3.37Å; F144-T148 VanDerWaalsContact O-CG2 3.29Å; F144-T148 WeakPolarHBondContact O-CG2 3.31Å; F144-T148 PolarHBondContact O-N 3.27Å; F144-T148 PolarHBondContact O-OG1 3.25Å; F144-F150 HydrophobicContact CE1-CD2 4.18Å; F144-F150 HydrophobicContact CZ-CD2 4.45Å; F144-I153 HydrophobicContact CD1-CD1 3.9Å; F144-I153 HydrophobicContact CD1-CG1 4.34Å; F144-I153 HydrophobicContact CE1-CD1 4.16Å; F144-I153 HydrophobicContact CE1-CG1 4.26Å
145L96.3Very high96.9Very high8 Ų834.2 Ų34.24%0.04220%0.197CC..Hα-helixtrans-66.1-38.6-179.6-69.6179.5000111.7T141 D142 T148 S149 F150 I153 K171T141-L145 HydrophobicContact CG2-CD1 3.82Å; T141-L145 HydrophobicContact CG2-CG 4.32Å; T141-L145 WeakPolarHBondContact O-CB 3.49Å; T141-L145 VanDerWaalsContact O-CG 3.26Å; T141-L145 WeakPolarHBondContact O-CG 3.4Å; T141-L145 PolarHBondContact O-N 3.41Å; D142-L145 PolarHBondContact O-N 3.2Å; L145-T148 PolarHBondContact O-OG1 3.18Å; L145-S149 VanDerWaalsContact O-CA 3.29Å; L145-S149 WeakPolarHBondContact O-CA 3.44Å; L145-S149 PolarHBondContact O-N 2.93Å; L145-F150 HydrophobicContact CD2-CB 3.65Å; L145-F150 PolarHBondContact O-N 2.84Å; L145-F150 VanDerWaalsContact O-N 3.17Å; L145-I153 HydrophobicContact CD2-CG1 4.06Å; L145-K171 HydrophobicContact CD1-CB 3.76Å; L145-K171 HydrophobicContact CD1-CD 3.97Å; L145-K171 HydrophobicContact CD1-CG 4.12Å
146D93.8Very high96.8Very high122 Ų12233.4 Ų33.465%0.65220%0.198SC*.Hα-helixtrans-64-48.3175-72.1-17.2000111.2D142 F144 T148 S149D142-D146 WeakPolarHBondContact O-CB 3.22Å; D142-D146 VanDerWaalsContact O-CG 3.22Å; D142-D146 PolarHBondContact O-N 3.43Å; F144-D146 VanDerWaalsContact C-N 3.35Å; D146-T148 VanDerWaalsContact C-N 3.32Å; D146-T148 PolarHBondContact O-N 3.33Å; D146-S149 PolarHBondContact O-N 3.25Å
147T94.6Very high96.7Very high118 Ų11834.3 Ų34.372%0.72420%0.203SC*.Hα-helixtrans-63.9-37.8-179.4-590000112.2S143 F144S143-T147 VanDerWaalsContact O-CB 3.29Å; S143-T147 WeakPolarHBondContact O-CB 3.38Å; S143-T147 PolarHBondContact O-N 2.62Å; S143-T147 PolarHBondContact O-OG1 3.49Å; F144-T147 PolarHBondContact O-N 3.29Å
148T93.8Very high96.4Very high33 Ų3335.8 Ų35.820%0.20221%0.21CC..Hα-helixtrans-90.2-10.1-177.458.40000113.4L77 F144 L145 D146 F150L77-T148 HydrophobicContact CD1-CG2 3.57Å; L77-T148 HydrophobicContact CG-CG2 4.23Å; F144-T148 HydrophobicContact CD2-CG2 4.08Å; F144-T148 HydrophobicContact CE1-CG2 4.34Å; F144-T148 HydrophobicContact CE2-CG2 3.78Å; F144-T148 HydrophobicContact CG-CG2 4.49Å; F144-T148 HydrophobicContact CZ-CG2 3.94Å; F144-T148 WeakPolarHBondContact O-CB 3.37Å; F144-T148 VanDerWaalsContact O-CG2 3.29Å; F144-T148 WeakPolarHBondContact O-CG2 3.31Å; F144-T148 PolarHBondContact O-N 3.27Å; F144-T148 PolarHBondContact O-OG1 3.25Å; L145-T148 PolarHBondContact O-OG1 3.18Å; D146-T148 VanDerWaalsContact C-N 3.32Å; D146-T148 PolarHBondContact O-N 3.33Å; T148-F150 HydrophobicContact CG2-CD2 4.24Å; T148-F150 HydrophobicContact CG2-CE2 4.23Å; T148-F150 PolarHBondContact O-N 2.76Å; T148-F150 WeakPolarHBondContact OG1-CD2 3.48Å; T148-F150 WeakPolarHBondContact OG1-CG 3.19Å
149S92.3Very high95.6Very high74 Ų7436.4 Ų36.452%0.51721%0.214SC..THydrogen-bonded Turntrans56.923.1-170.3-57.20000114L145 D146L145-S149 VanDerWaalsContact O-CA 3.29Å; L145-S149 WeakPolarHBondContact O-CA 3.44Å; L145-S149 PolarHBondContact O-N 2.93Å; D146-S149 PolarHBondContact O-N 3.25Å
150F94.4Very high94.9Very high29 Ų2936.4 Ų36.413%0.12721%0.21CC..  trans-82.5171.4169.4-60.7-26.2000110.3I59 F65 L77 F144 L145 T148I59-F150 HydrophobicContact CD1-CE2 4.5Å; I59-F150 HydrophobicContact CD1-CZ 3.74Å; I59-F150 HydrophobicContact CG1-CE2 4.32Å; I59-F150 HydrophobicContact CG1-CZ 3.82Å; I59-F150 HydrophobicContact CG2-CE1 3.86Å; I59-F150 HydrophobicContact CG2-CZ 3.94Å; F65-F150 HydrophobicContact CB-CD2 3.65Å; F65-F150 HydrophobicContact CB-CE2 3.88Å; F65-F150 HydrophobicContact CD2-CE2 4.13Å; F65-F150 HydrophobicContact CG-CD2 4.4Å; F65-F150 HydrophobicContact CG-CE2 4.27Å; L77-F150 HydrophobicContact CD1-CD2 4.49Å; L77-F150 HydrophobicContact CD1-CE2 3.48Å; L77-F150 VanDerWaalsContact CD1-CE2 3.48Å; L77-F150 HydrophobicContact CD1-CZ 3.99Å; F144-F150 HydrophobicContact CE1-CD2 4.18Å; F144-F150 HydrophobicContact CZ-CD2 4.45Å; L145-F150 HydrophobicContact CD2-CB 3.65Å; L145-F150 PolarHBondContact O-N 2.84Å; L145-F150 VanDerWaalsContact O-N 3.17Å; T148-F150 HydrophobicContact CG2-CD2 4.24Å; T148-F150 HydrophobicContact CG2-CE2 4.23Å; T148-F150 PolarHBondContact O-N 2.76Å; T148-F150 WeakPolarHBondContact OG1-CD2 3.48Å; T148-F150 WeakPolarHBondContact OG1-CG 3.19Å
151S93.2Very high93.8Very high18 Ų1837.6 Ų37.613%0.12622%0.216CC..  trans-123.7-17.1-174.6540000113.4R63 P215 L216R63-S151 PolarHBondContact O-N 3.29Å; R63-S151 PolarHBondContact O-OG 2.66Å; S151-P215 WeakPolarHBondContact OG-CB 3.41Å; S151-L216 WeakPolarHBondContact CB-O 3.23Å
152M96.8Very high93Very high4 Ų442 Ų422%0.0224%0.236CC..EExtended strand (participates in β ladder)trans-158.5147.5-177178.2176.3-77.700111.3R63 I64 F65 I154 G170 K171 L173 L213 P215 V232R63-M152 PolarHBondContact O-N 3.05Å; I64-M152 WeakPolarHBondContact CA-O 3.26Å; I64-M152 HydrophobicContact CG1-CB 4.42Å; F65-M152 PolarHBondContact N-O 3.32Å; M152-I154 HydrophobicContact CG-CG1 4.19Å; M152-I154 HydrophobicContact SD-CD1 4.33Å; M152-I154 HydrophobicContact SD-CG1 3.97Å; M152-G170 VanDerWaalsContact CE-O 3.3Å; M152-G170 WeakPolarHBondContact CE-O 3.3Å; M152-K171 CarbonylContact C-O 3.58Å; M152-K171 WeakPolarHBondContact CA-O 3.47Å; M152-L173 HydrophobicContact SD-CB 4.47Å; M152-L213 HydrophobicContact CE-CB 3.64Å; M152-L213 HydrophobicContact CE-CD1 3.51Å; M152-L213 HydrophobicContact CE-CG 4.14Å; M152-L213 HydrophobicContact SD-CD1 4.36Å; M152-P215 HydrophobicContact CB-CB 4.13Å; M152-P215 HydrophobicContact CB-CG 4.24Å; M152-P215 HydrophobicContact CE-CG 3.94Å; M152-P215 HydrophobicContact SD-CG 3.97Å; M152-V232 HydrophobicContact SD-CB 4.46Å; M152-V232 HydrophobicContact SD-CG2 4.04Å
153I98.6Very high92.4Very high0 Ų039.4 Ų39.40%022%0.222CC..EExtended strand (participates in β ladder)trans-105.5127.1164.8-56.3173.9000107.9F65 I71 T141 F144 L145 K171 V172 L173F65-I153 HydrophobicContact CD1-CG2 4.41Å; F65-I153 CarbonylContact O-C 3.56Å; F65-I153 VanDerWaalsContact O-CA 3.29Å; F65-I153 WeakPolarHBondContact O-CA 3.36Å; I71-I153 HydrophobicContact CD1-CD1 3.73Å; I71-I153 HydrophobicContact CG1-CD1 4.03Å; I71-I153 HydrophobicContact CG2-CD1 4.07Å; T141-I153 HydrophobicContact CG2-CD1 4.23Å; F144-I153 HydrophobicContact CD1-CD1 3.9Å; F144-I153 HydrophobicContact CD1-CG1 4.34Å; F144-I153 HydrophobicContact CE1-CD1 4.16Å; F144-I153 HydrophobicContact CE1-CG1 4.26Å; L145-I153 HydrophobicContact CD2-CG1 4.06Å; I153-K171 PolarHBondContact N-O 2.72Å; I153-V172 HydrophobicContact CB-CG2 4.32Å; I153-V172 HydrophobicContact CD1-CG2 4.44Å; I153-V172 CarbonylContact O-C 3.49Å; I153-V172 WeakPolarHBondContact O-CA 3.42Å; I153-L173 PolarHBondContact O-N 2.93Å
154I98.6Very high92.2Very high15 Ų1538.4 Ų38.48%0.07721%0.208CC..EExtended strand (participates in β ladder)trans-106.8131.1165.2-57.9179.7000107.8I64 F65 I66 C67 M152 L173 I175 V194 V232I64-I154 HydrophobicContact CD1-CD1 4.48Å; I64-I154 HydrophobicContact CG2-CB 4.29Å; I64-I154 HydrophobicContact CG2-CD1 3.62Å; I64-I154 HydrophobicContact CG2-CG1 3.61Å; F65-I154 PolarHBondContact O-N 3.05Å; I66-I154 VanDerWaalsContact CA-O 3.26Å; I66-I154 WeakPolarHBondContact CA-O 3.09Å; I66-I154 HydrophobicContact CG1-CB 4.22Å; C67-I154 PolarHBondContact N-O 3.31Å; M152-I154 HydrophobicContact CG-CG1 4.19Å; M152-I154 HydrophobicContact SD-CD1 4.33Å; M152-I154 HydrophobicContact SD-CG1 3.97Å; I154-L173 CarbonylContact C-O 3.43Å; I154-L173 WeakPolarHBondContact CA-O 3.17Å; I154-L173 HydrophobicContact CD1-CD2 4.27Å; I154-L173 HydrophobicContact CG1-CB 4.27Å; I154-L173 HydrophobicContact CG1-CD2 4.22Å; I154-L173 HydrophobicContact CG2-CD2 4.45Å; I154-I175 HydrophobicContact CG2-CG1 4.4Å; I154-V194 HydrophobicContact CD1-CG2 4.49Å; I154-V232 HydrophobicContact CD1-CG1 3.95Å; I154-V232 HydrophobicContact CD1-CG2 4.45Å
155R98.6Very high92.1Very high4 Ų440.7 Ų40.72%0.01522%0.219CC..EExtended strand (participates in β ladder)trans-137176-178.862.4162.1-73.1158.6-14.2113.2C67 G69 S116 D117 E158 V172 L173 T174 I175C67-R155 WeakPolarHBondContact O-CA 3.44Å; G69-R155 VanDerWaalsContact C-CZ 3.47Å; G69-R155 WeakPolarHBondContact O-CB 3.47Å; G69-R155 WeakPolarHBondContact O-CD 3.44Å; G69-R155 PolarHBondContact O-NE 3.03Å; G69-R155 PolarHBondContact O-NH1 3.35Å; S116-R155 PolarHBondContact O-NH1 3.4Å; S116-R155 PolarHBondContact O-NH2 2.94Å; D117-R155 VanDerWaalsContact CA-NH1 3.35Å; D117-R155 IonicContact OD1-CZ 2.7Å; D117-R155 IonicContact OD1-NH1 3.25Å; D117-R155 IonicContact OD1-NH2 3.56Å; D117-R155 PolarHBondContact OD1-NH2 2.9Å; R155-E158 IonicContact CZ-OE2 3.36Å; R155-E158 IonicContact NE-OE2 3.98Å; R155-E158 IonicContact NH2-OE2 3.96Å; R155-E158 PolarHBondContact NH2-OE2 2.84Å; R155-V172 HydrophobicContact CG-CG1 4.09Å; R155-L173 PolarHBondContact N-O 3.2Å; R155-T174 WeakPolarHBondContact CD-OG1 3.1Å; R155-T174 WeakPolarHBondContact CG-OG1 3.37Å; R155-T174 CarbonylContact O-C 3.42Å; R155-T174 WeakPolarHBondContact O-CA 3.3Å; R155-I175 PolarHBondContact O-N 3.36Å
156S97.2Very high92Very high33 Ų3342.5 Ų42.523%0.23123%0.228CC..  trans-127.1-131.9174.963.40000110.2H68 E158 I175H68-S156 PolarHBondContact CE1-OG 3.29Å; H68-S156 PolarHBondContact ND1-OG 3.32Å; H68-S156 CarbonylContact O-C 3.56Å; H68-S156 WeakPolarHBondContact O-CA 3.08Å; H68-S156 PolarHBondContact O-N 3.2Å; H68-S156 PolarHBondContact O-OG 2.89Å; S156-E158 PolarHBondContact O-N 3.27Å; S156-I175 WeakPolarHBondContact CA-O 3.42Å; S156-I175 WeakPolarHBondContact CB-O 3.37Å
157H96.3Very high92.1Very high19 Ų1937.2 Ų37.29%0.08820%0.2CC..SBendtrans68.9-30.5170.2-169.966.2000117N16 H68 D117N16-H157 PolarHBondContact ND2-CE1 3.42Å; N16-H157 PolarHBondContact OD1-ND1 2.92Å; H68-H157 AromaticContact CD2-CG 3.97Å; H68-H157 AromaticContact CD2-ND1 3.67Å; H68-H157 AromaticContact NE2-CG 3.71Å; H68-H157 AromaticContact NE2-ND1 3.17Å; H68-H157 PolarHBondContact NE2-ND1 3.41Å; H68-H157 VanDerWaalsContact NE2-ND1 3.17Å; H68-H157 WeakPolarHBondContact O-CB 3.46Å; H68-H157 PolarHBondContact O-N 3.32Å; D117-H157 IonicContact OD1-CD2 3.3Å; D117-H157 PolarHBondContact OD1-CD2 3.45Å; D117-H157 VanDerWaalsContact OD1-CD2 3.25Å; D117-H157 IonicContact OD1-NE2 2.87Å
158E92.2Very high92.2Very high31 Ų3132.1 Ų32.115%0.14517%0.168CC..  trans-103.9134174.8-72.6171.5119.300111.9D117 P118 R155 S156 Y160 T174 F176D117-E158 VanDerWaalsContact OD1-CG 3.3Å; D117-E158 WeakPolarHBondContact OD1-CG 3.48Å; P118-E158 WeakPolarHBondContact CD-OE2 3.04Å; R155-E158 IonicContact CZ-OE2 3.36Å; R155-E158 IonicContact NE-OE2 3.98Å; R155-E158 IonicContact NH2-OE2 3.96Å; R155-E158 PolarHBondContact NH2-OE2 2.84Å; S156-E158 PolarHBondContact O-N 3.27Å; E158-Y160 HydrophobicContact CB-CD2 4.11Å; E158-Y160 HydrophobicContact CB-CE2 3.69Å; E158-T174 HydrophobicContact CB-CG2 4.12Å; E158-F176 VanDerWaalsContact O-CD2 3.3Å; E158-F176 WeakPolarHBondContact O-CD2 3.34Å
159C82.7Confident92.2Very high39 Ų3936.3 Ų36.326%0.26420%0.199SC..  trans-96.3105.9176.9-179.80000109.3F176 Y181 F182C159-F176 HydrophobicContact CB-CD1 4.15Å; C159-F176 HydrophobicContact CB-CD2 4.11Å; C159-F176 HydrophobicContact CB-CE1 4.01Å; C159-F176 HydrophobicContact CB-CE2 3.97Å; C159-F176 HydrophobicContact CB-CG 4.19Å; C159-F176 HydrophobicContact CB-CZ 3.92Å; C159-Y181 HydrophobicContact CB-CD1 4.32Å; C159-F182 HydrophobicContact CB-CE2 4.22Å
160Y82.6Confident92.3Very high60 Ų6033.8 Ų33.824%0.23519%0.185CC..  trans-94.5151.9171.4-74.7-92.8000110.2E158 E162 G163 H165 T174 N187E158-Y160 HydrophobicContact CB-CD2 4.11Å; E158-Y160 HydrophobicContact CB-CE2 3.69Å; Y160-E162 PolarHBondContact O-N 3.17Å; Y160-G163 PolarHBondContact O-N 2.84Å; Y160-H165 HydrophobicContact CD1-CB 3.61Å; Y160-H165 AromaticContact CD1-CG 3.73Å; Y160-H165 AromaticContact CD1-ND1 3.96Å; Y160-H165 HydrophobicContact CD2-CB 3.56Å; Y160-H165 HydrophobicContact CE1-CB 3.63Å; Y160-H165 AromaticContact CE1-CD2 3.56Å; Y160-H165 AromaticContact CE1-CG 3.35Å; Y160-H165 AromaticContact CE1-ND1 3.72Å; Y160-H165 HydrophobicContact CE2-CB 3.57Å; Y160-H165 HydrophobicContact CG-CB 3.56Å; Y160-H165 AromaticContact CZ-CD2 3.42Å; Y160-H165 VanDerWaalsContact CZ-CD2 3.42Å; Y160-H165 AromaticContact CZ-CG 3.52Å; Y160-H165 PolarHBondContact OH-CD2 3.03Å; Y160-H165 VanDerWaalsContact OH-CD2 3.27Å; Y160-T174 HydrophobicContact CD2-CG2 3.99Å; Y160-T174 HydrophobicContact CE2-CG2 3.93Å; Y160-N187 WeakPolarHBondContact O-CB 3.12Å
161M76.5Confident92.4Very high45 Ų4535.5 Ų35.522%0.22219%0.192CC..THydrogen-bonded Turntrans-58.3-38.6-176.8-177.5170.7-176.600112G163 N187 E188 R429 M433M161-G163 PolarHBondContact O-N 3.43Å; M161-N187 CarbonylContact O-C 3.44Å; M161-N187 VanDerWaalsContact O-CA 3.23Å; M161-N187 WeakPolarHBondContact O-CA 3.29Å; M161-E188 PolarHBondContact O-N 3.39Å; M161-R429 HydrophobicContact CE-CB 3.8Å; M161-R429 HydrophobicContact SD-CB 4.06Å; M161-M433 HydrophobicContact CE-CE 3.47Å; M161-M433 VanDerWaalsContact CE-CE 3.47Å; M161-M433 HydrophobicContact CE-CG 4.5Å; M161-M433 HydrophobicContact CE-SD 3.77Å; M161-M433 HydrophobicContact CG-CE 3.98Å; M161-M433 HydrophobicContact SD-CE 4.44Å
162E80.7Confident92.7Very high92 Ų9234.7 Ų34.743%0.4319%0.186SC..THydrogen-bonded Turntrans-81.6-1.9178.6-61.377.2-17300113Y160 W164Y160-E162 PolarHBondContact O-N 3.17Å; E162-W164 PolarHBondContact O-N 3.46Å
163G86.1Confident92.8Very high0 Ų034.5 Ų34.50%019%0.185CC..SBendtrans75.4-2.6-173.200000114Y160 M161 F176 E188 A190Y160-G163 PolarHBondContact O-N 2.84Å; M161-G163 PolarHBondContact O-N 3.43Å; G163-F176 WeakPolarHBondContact O-CA 3.36Å; G163-F176 PolarHBondContact O-N 3.33Å; G163-E188 WeakPolarHBondContact CA-O 3.41Å; G163-E188 PolarHBondContact N-O 2.74Å; G163-A190 WeakPolarHBondContact O-CB 3.28Å
164W94Very high92.7Very high49 Ų4934.5 Ų34.519%0.18619%0.185CC..EExtended strand (participates in β ladder)trans-149159.9177.565.5-83.9000111.5E162 I166 T174 I175 A190 I210 V211 V234E162-W164 PolarHBondContact O-N 3.46Å; W164-I166 HydrophobicContact CE3-CD1 4.34Å; W164-I166 HydrophobicContact CE3-CG1 4.14Å; W164-I166 HydrophobicContact CZ3-CD1 3.69Å; W164-I166 HydrophobicContact CZ3-CG1 3.87Å; W164-T174 CarbonylContact C-O 3.52Å; W164-T174 WeakPolarHBondContact CA-O 3.36Å; W164-I175 HydrophobicContact CB-CD1 3.81Å; W164-A190 HydrophobicContact CB-CB 4.03Å; W164-A190 HydrophobicContact CG-CB 4.39Å; W164-I210 HydrophobicContact CZ2-CB 4.48Å; W164-I210 HydrophobicContact CZ2-CG2 3.54Å; W164-V211 HydrophobicContact CD2-CG1 4.42Å; W164-V211 HydrophobicContact CE3-CG1 3.95Å; W164-V211 HydrophobicContact CH2-CB 4.12Å; W164-V211 HydrophobicContact CH2-CG1 3.79Å; W164-V211 HydrophobicContact CZ2-CG1 4.27Å; W164-V211 HydrophobicContact CZ3-CB 4.33Å; W164-V211 HydrophobicContact CZ3-CG1 3.62Å; W164-V234 HydrophobicContact CB-CG1 3.88Å; W164-V234 HydrophobicContact CD2-CG1 4.07Å; W164-V234 HydrophobicContact CG-CG1 3.66Å
165H95Very high92.7Very high62 Ų6234.9 Ų34.929%0.28719%0.187SC..EExtended strand (participates in β ladder)trans-155.8147.8174-172.167.8000111.4Y160 T174Y160-H165 HydrophobicContact CD1-CB 3.61Å; Y160-H165 AromaticContact CD1-CG 3.73Å; Y160-H165 AromaticContact CD1-ND1 3.96Å; Y160-H165 HydrophobicContact CD2-CB 3.56Å; Y160-H165 HydrophobicContact CE1-CB 3.63Å; Y160-H165 AromaticContact CE1-CD2 3.56Å; Y160-H165 AromaticContact CE1-CG 3.35Å; Y160-H165 AromaticContact CE1-ND1 3.72Å; Y160-H165 HydrophobicContact CE2-CB 3.57Å; Y160-H165 HydrophobicContact CG-CB 3.56Å; Y160-H165 AromaticContact CZ-CD2 3.42Å; Y160-H165 VanDerWaalsContact CZ-CD2 3.42Å; Y160-H165 AromaticContact CZ-CG 3.52Å; Y160-H165 PolarHBondContact OH-CD2 3.03Å; Y160-H165 VanDerWaalsContact OH-CD2 3.27Å; H165-T174 PolarHBondContact N-O 3.22Å; H165-T174 PolarHBondContact O-N 2.72Å
166I95.2Very high92.5Very high46 Ų4635.8 Ų35.824%0.23619%0.191CC..EExtended strand (participates in β ladder)trans-115.5128175.4-65.8167.2000108.5W164 G170 V172 L173 V211 L213W164-I166 HydrophobicContact CE3-CD1 4.34Å; W164-I166 HydrophobicContact CE3-CG1 4.14Å; W164-I166 HydrophobicContact CZ3-CD1 3.69Å; W164-I166 HydrophobicContact CZ3-CG1 3.87Å; I166-G170 VanDerWaalsContact CG2-CA 3.48Å; I166-V172 WeakPolarHBondContact CA-O 3.4Å; I166-L173 HydrophobicContact CG1-CD1 3.93Å; I166-V211 HydrophobicContact CD1-CB 4.45Å; I166-V211 HydrophobicContact CD1-CG1 4.04Å; I166-V211 HydrophobicContact CD1-CG2 3.72Å; I166-L213 HydrophobicContact CD1-CD1 3.95Å; I166-L213 HydrophobicContact CD1-CD2 3.81Å; I166-L213 HydrophobicContact CD1-CG 4.22Å; I166-L213 HydrophobicContact CG1-CD1 4.16Å
167S95Very high92.4Very high10 Ų1038 Ų387%0.0721%0.206CC..EExtended strand (participates in β ladder)trans-129.9173.4174.961.70000111.9S169 G170 K171 V172S167-S169 PolarHBondContact O-N 3.4Å; S167-G170 PolarHBondContact O-N 2.98Å; S167-K171 PolarHBondContact O-N 2.73Å; S167-V172 PolarHBondContact N-O 2.69Å; S167-V172 PolarHBondContact O-N 2.75Å; S167-V172 WeakPolarHBondContact OG-CB 3.45Å
168H97.4Very high92Very high12 Ų1239.9 Ų39.96%0.05622%0.222CC..THydrogen-bonded Turntrans51.454.3178.2-52.1167.5000112.7Q119 F136 G137 P138 T141 G170 K171 V172Q119-H168 PolarHBondContact O-NE2 3.28Å; F136-H168 AromaticContact CD2-CE1 3.75Å; F136-H168 AromaticContact CE2-CE1 3.66Å; F136-H168 AromaticContact CE2-ND1 3.99Å; F136-H168 PolarHBondContact O-CE1 2.93Å; F136-H168 PolarHBondContact O-NE2 3.39Å; G137-H168 VanDerWaalsContact C-CE1 3.48Å; G137-H168 PolarHBondContact O-CE1 2.85Å; P138-H168 HydrophobicContact CB-CB 3.92Å; T141-H168 HydrophobicContact CG2-CB 4.28Å; T141-H168 PolarHBondContact OG1-CE1 3.03Å; T141-H168 PolarHBondContact OG1-ND1 2.98Å; H168-G170 VanDerWaalsContact C-N 3.31Å; H168-G170 PolarHBondContact O-N 2.8Å; H168-K171 VanDerWaalsContact O-CB 3.28Å; H168-K171 WeakPolarHBondContact O-CB 3.48Å; H168-K171 WeakPolarHBondContact O-CG 3.33Å; H168-K171 PolarHBondContact O-N 3.12Å; H168-K171 VanDerWaalsContact O-N 3.13Å; H168-V172 HydrophobicContact CB-CG2 4.11Å; H168-V172 WeakPolarHBondContact ND1-CG2 3.09Å
169S93.8Very high91.4Very high120 Ų12043.4 Ų43.484%0.83924%0.237SC*.THydrogen-bonded Turntrans57.737.9175.9-55.20000114.3S167 K171S167-S169 PolarHBondContact O-N 3.4Å; S169-K171 VanDerWaalsContact C-N 3.35Å
170G93.9Very high90.7Very high22 Ų2243.2 Ų43.223%0.22723%0.234CC..THydrogen-bonded Turntrans88.4-1.3178.500000114.8M152 I166 S167 H168M152-G170 VanDerWaalsContact CE-O 3.3Å; M152-G170 WeakPolarHBondContact CE-O 3.3Å; I166-G170 VanDerWaalsContact CG2-CA 3.48Å; S167-G170 PolarHBondContact O-N 2.98Å; H168-G170 VanDerWaalsContact C-N 3.31Å; H168-G170 PolarHBondContact O-N 2.8Å
171K96.8Very high90.2Very high65 Ų6545.9 Ų45.928%0.28324%0.244SC..THydrogen-bonded Turntrans-88.5-18.4-174.4-61.8176.8-170.8177.70113.4T141 D142 L145 M152 I153 S167 H168 S169T141-K171 HydrophobicContact CG2-CB 3.89Å; D142-K171 WeakPolarHBondContact OD1-CD 3.4Å; D142-K171 WeakPolarHBondContact OD1-CE 3.32Å; D142-K171 IonicContact OD1-NZ 2.6Å; D142-K171 PolarHBondContact OD1-NZ 3.46Å; D142-K171 IonicContact OD2-NZ 3.11Å; D142-K171 PolarHBondContact OD2-NZ 3.4Å; D142-K171 VanDerWaalsContact OD2-NZ 3.11Å; L145-K171 HydrophobicContact CD1-CB 3.76Å; L145-K171 HydrophobicContact CD1-CD 3.97Å; L145-K171 HydrophobicContact CD1-CG 4.12Å; M152-K171 CarbonylContact C-O 3.58Å; M152-K171 WeakPolarHBondContact CA-O 3.47Å; I153-K171 PolarHBondContact N-O 2.72Å; S167-K171 PolarHBondContact O-N 2.73Å; H168-K171 VanDerWaalsContact O-CB 3.28Å; H168-K171 WeakPolarHBondContact O-CB 3.48Å; H168-K171 WeakPolarHBondContact O-CG 3.33Å; H168-K171 PolarHBondContact O-N 3.12Å; H168-K171 VanDerWaalsContact O-N 3.13Å; S169-K171 VanDerWaalsContact C-N 3.35Å
172V98.5Very high89.1Confident0 Ų050.7 Ų50.70%026%0.264CS..EExtended strand (participates in β ladder)trans-120.2122.3174.9-177.30000109.4F136 T141 I153 R155 I166 S167 H168F136-V172 HydrophobicContact CE2-CG2 4.28Å; T141-V172 HydrophobicContact CG2-CG2 3.72Å; I153-V172 HydrophobicContact CB-CG2 4.32Å; I153-V172 HydrophobicContact CD1-CG2 4.44Å; I153-V172 CarbonylContact O-C 3.49Å; I153-V172 WeakPolarHBondContact O-CA 3.42Å; R155-V172 HydrophobicContact CG-CG1 4.09Å; I166-V172 WeakPolarHBondContact CA-O 3.4Å; S167-V172 PolarHBondContact N-O 2.69Å; S167-V172 PolarHBondContact O-N 2.75Å; S167-V172 WeakPolarHBondContact OG-CB 3.45Å; H168-V172 HydrophobicContact CB-CG2 4.11Å; H168-V172 WeakPolarHBondContact ND1-CG2 3.09Å
173L98.4Very high87.8Confident0 Ų049.1 Ų49.10%026%0.26CS..EExtended strand (participates in β ladder)trans-111.9119173.3173.265.1000109.3M152 I153 I154 R155 I166 I175 A192 L213 V232 V234M152-L173 HydrophobicContact SD-CB 4.47Å; I153-L173 PolarHBondContact O-N 2.93Å; I154-L173 CarbonylContact C-O 3.43Å; I154-L173 WeakPolarHBondContact CA-O 3.17Å; I154-L173 HydrophobicContact CD1-CD2 4.27Å; I154-L173 HydrophobicContact CG1-CB 4.27Å; I154-L173 HydrophobicContact CG1-CD2 4.22Å; I154-L173 HydrophobicContact CG2-CD2 4.45Å; R155-L173 PolarHBondContact N-O 3.2Å; I166-L173 HydrophobicContact CG1-CD1 3.93Å; L173-I175 HydrophobicContact CD1-CD1 3.94Å; L173-I175 HydrophobicContact CD1-CG1 4.44Å; L173-I175 HydrophobicContact CD2-CD1 4.07Å; L173-I175 HydrophobicContact CD2-CG1 4.1Å; L173-I175 HydrophobicContact CG-CD1 4Å; L173-I175 HydrophobicContact CG-CG1 3.99Å; L173-A192 HydrophobicContact CD2-CB 4.13Å; L173-L213 HydrophobicContact CB-CD1 4.31Å; L173-L213 HydrophobicContact CD1-CD1 4.35Å; L173-L213 HydrophobicContact CD2-CD1 4.28Å; L173-V232 HydrophobicContact CD2-CG1 3.66Å; L173-V234 HydrophobicContact CD1-CG2 3.94Å; L173-V234 HydrophobicContact CD2-CG2 3.91Å
174T98.4Very high86.4Confident0 Ų053.1 Ų53.10%028%0.282CS..EExtended strand (participates in β ladder)trans-95.4129.1170.2-61.20000109.6R155 E158 Y160 W164 H165R155-T174 WeakPolarHBondContact CD-OG1 3.1Å; R155-T174 WeakPolarHBondContact CG-OG1 3.37Å; R155-T174 CarbonylContact O-C 3.42Å; R155-T174 WeakPolarHBondContact O-CA 3.3Å; E158-T174 HydrophobicContact CB-CG2 4.12Å; Y160-T174 HydrophobicContact CD2-CG2 3.99Å; Y160-T174 HydrophobicContact CE2-CG2 3.93Å; W164-T174 CarbonylContact C-O 3.52Å; W164-T174 WeakPolarHBondContact CA-O 3.36Å; H165-T174 PolarHBondContact N-O 3.22Å; H165-T174 PolarHBondContact O-N 2.72Å
175I98Very high84.7Confident23 Ų2354.7 Ų54.712%0.11829%0.288CS..EExtended strand (participates in β ladder)trans-123133.5175.4-62.5-64000109.8I154 R155 S156 W164 L173 A190 A192 V234I154-I175 HydrophobicContact CG2-CG1 4.4Å; R155-I175 PolarHBondContact O-N 3.36Å; S156-I175 WeakPolarHBondContact CA-O 3.42Å; S156-I175 WeakPolarHBondContact CB-O 3.37Å; W164-I175 HydrophobicContact CB-CD1 3.81Å; L173-I175 HydrophobicContact CD1-CD1 3.94Å; L173-I175 HydrophobicContact CD1-CG1 4.44Å; L173-I175 HydrophobicContact CD2-CD1 4.07Å; L173-I175 HydrophobicContact CD2-CG1 4.1Å; L173-I175 HydrophobicContact CG-CD1 4Å; L173-I175 HydrophobicContact CG-CG1 3.99Å; I175-A190 VanDerWaalsContact CG2-O 3.27Å; I175-A190 WeakPolarHBondContact CG2-O 3.4Å; I175-A192 HydrophobicContact CD1-CB 4.1Å; I175-A192 HydrophobicContact CG1-CB 4.05Å; I175-V234 HydrophobicContact CD1-CG1 3.87Å; I175-V234 HydrophobicContact CD1-CG2 4.1Å
176F94.6Very high82.9Confident24 Ų2453.3 Ų53.311%0.10529%0.285CS..  trans-129.9109.7176.6-159.8-92.9000109.4E158 C159 G163 S178 Y181 G189 A190E158-F176 VanDerWaalsContact O-CD2 3.3Å; E158-F176 WeakPolarHBondContact O-CD2 3.34Å; C159-F176 HydrophobicContact CB-CD1 4.15Å; C159-F176 HydrophobicContact CB-CD2 4.11Å; C159-F176 HydrophobicContact CB-CE1 4.01Å; C159-F176 HydrophobicContact CB-CE2 3.97Å; C159-F176 HydrophobicContact CB-CG 4.19Å; C159-F176 HydrophobicContact CB-CZ 3.92Å; G163-F176 WeakPolarHBondContact O-CA 3.36Å; G163-F176 PolarHBondContact O-N 3.33Å; F176-S178 VanDerWaalsContact CD1-O 3.3Å; F176-S178 WeakPolarHBondContact CD1-O 3.34Å; F176-S178 WeakPolarHBondContact CE1-O 3.48Å; F176-Y181 HydrophobicContact CE1-CD1 4.37Å; F176-Y181 AromaticContact CE1-CD2 3.85Å; F176-Y181 HydrophobicContact CE1-CD2 3.85Å; F176-Y181 AromaticContact CE1-CG 3.72Å; F176-Y181 HydrophobicContact CE1-CG 3.72Å; F176-Y181 HydrophobicContact CZ-CD1 4.03Å; F176-Y181 AromaticContact CZ-CD2 3.57Å; F176-Y181 HydrophobicContact CZ-CD2 3.57Å; F176-Y181 HydrophobicContact CZ-CE1 4.3Å; F176-Y181 AromaticContact CZ-CE2 3.87Å; F176-Y181 HydrophobicContact CZ-CE2 3.87Å; F176-Y181 AromaticContact CZ-CG 3.65Å; F176-Y181 HydrophobicContact CZ-CG 3.65Å; F176-G189 WeakPolarHBondContact O-CA 3.42Å; F176-A190 PolarHBondContact O-N 3.44Å
177S93.5Very high82.1Confident78 Ų7851.2 Ų51.255%0.54527%0.274SS..  trans-86.4-13.3-168.658.40000114.9A190 L237S177-A190 WeakPolarHBondContact CA-O 3.2Å; S177-L237 WeakPolarHBondContact O-CD1 3.19Å
178S88.2Confident81.4Confident60 Ų6052.8 Ų52.842%0.4228%0.28SS..  trans-91.2125.2-179.4-60.10000110F176 N187F176-S178 VanDerWaalsContact CD1-O 3.3Å; F176-S178 WeakPolarHBondContact CD1-O 3.34Å; F176-S178 WeakPolarHBondContact CE1-O 3.48Å; S178-N187 PolarHBondContact O-ND2 2.82Å
179F80.7Confident81Confident105 Ų10552.2 Ų52.246%0.46128%0.277SS..SBendtrans-85.4161.7168.558.4-90.7000110.6Y181 N187F179-Y181 PolarHBondContact O-N 3.48Å; F179-Y181 VanDerWaalsContact O-N 3.12Å; F179-N187 WeakPolarHBondContact CA-O 3.31Å
180D68.2Low81Confident35 Ų3546.5 Ų46.519%0.18724%0.238CC..SBendtrans52.134.3177-57.3-16000113.5F182 T183 L184 R185 N187 K239D180-F182 VanDerWaalsContact C-N 3.3Å; D180-F182 PolarHBondContact O-N 2.97Å; D180-T183 CarbonylContact C-O 3.6Å; D180-T183 WeakPolarHBondContact CA-O 3.48Å; D180-T183 VanDerWaalsContact CB-O 3.3Å; D180-T183 WeakPolarHBondContact CB-O 3.43Å; D180-T183 PolarHBondContact O-N 3.27Å; D180-L184 WeakPolarHBondContact OD2-CD1 3.37Å; D180-R185 VanDerWaalsContact OD1-CA 3.3Å; D180-R185 WeakPolarHBondContact OD1-CA 3.42Å; D180-R185 PolarHBondContact OD1-N 3.25Å; D180-N187 PolarHBondContact N-O 2.98Å; D180-N187 PolarHBondContact N-OD1 3.41Å; D180-K239 IonicContact OD1-NZ 3.81Å; D180-K239 PolarHBondContact OD1-NZ 2.94Å; D180-K239 IonicContact OD2-NZ 3.75Å; D180-K239 PolarHBondContact OD2-NZ 3.25Å
181Y70.7Confident81.2Confident116 Ų11650.7 Ų50.746%0.45525%0.247SC..SBendtrans-58.1-42-167.6177.4-110.4000113.1C159 F176 F179 S186 N187C159-Y181 HydrophobicContact CB-CD1 4.32Å; F176-Y181 HydrophobicContact CE1-CD1 4.37Å; F176-Y181 AromaticContact CE1-CD2 3.85Å; F176-Y181 HydrophobicContact CE1-CD2 3.85Å; F176-Y181 AromaticContact CE1-CG 3.72Å; F176-Y181 HydrophobicContact CE1-CG 3.72Å; F176-Y181 HydrophobicContact CZ-CD1 4.03Å; F176-Y181 AromaticContact CZ-CD2 3.57Å; F176-Y181 HydrophobicContact CZ-CD2 3.57Å; F176-Y181 HydrophobicContact CZ-CE1 4.3Å; F176-Y181 AromaticContact CZ-CE2 3.87Å; F176-Y181 HydrophobicContact CZ-CE2 3.87Å; F176-Y181 AromaticContact CZ-CG 3.65Å; F176-Y181 HydrophobicContact CZ-CG 3.65Å; F179-Y181 PolarHBondContact O-N 3.48Å; F179-Y181 VanDerWaalsContact O-N 3.12Å; Y181-S186 PolarHBondContact N-OG 2.6Å; Y181-N187 VanDerWaalsContact CB-OD1 3.29Å; Y181-N187 WeakPolarHBondContact CB-OD1 3.47Å; Y181-N187 PolarHBondContact N-OD1 2.95Å
182F54.1Low81.1Confident146 Ų14649.2 Ų49.264%0.6425%0.247SC*.SBendtrans-87.2-46.8173.6-61.2-69.9000110.6C159 D180 S186C159-F182 HydrophobicContact CB-CE2 4.22Å; D180-F182 VanDerWaalsContact C-N 3.3Å; D180-F182 PolarHBondContact O-N 2.97Å; F182-S186 PolarHBondContact N-OG 2.99Å
183T53.3Low81Confident58 Ų5851.6 Ų51.636%0.35626%0.263SS..SBendtrans-163.6167.6-170.850.20000110.7D180 R185 S186 V255D180-T183 CarbonylContact C-O 3.6Å; D180-T183 WeakPolarHBondContact CA-O 3.48Å; D180-T183 VanDerWaalsContact CB-O 3.3Å; D180-T183 WeakPolarHBondContact CB-O 3.43Å; D180-T183 PolarHBondContact O-N 3.27Å; T183-R185 PolarHBondContact O-N 3.32Å; T183-S186 PolarHBondContact N-OG 3.24Å; T183-S186 VanDerWaalsContact N-OG 3.16Å; T183-S186 VanDerWaalsContact O-CB 3.26Å; T183-S186 WeakPolarHBondContact O-CB 3.42Å; T183-S186 PolarHBondContact O-N 3.41Å; T183-S186 PolarHBondContact O-OG 2.88Å; T183-S186 WeakPolarHBondContact OG1-CB 3.49Å; T183-V255 HydrophobicContact CG2-CG2 4.18Å; T183-V255 WeakPolarHBondContact OG1-CG2 3.36Å
184L56.5Low80.7Confident85 Ų8554.2 Ų54.245%0.44528%0.279SS..THydrogen-bonded Turntrans-47.8128.8175.3-173.667.2000111.8D180 S186 V255D180-L184 WeakPolarHBondContact OD2-CD1 3.37Å; L184-S186 PolarHBondContact O-N 3.07Å; L184-S186 VanDerWaalsContact O-N 3.11Å; L184-V255 WeakPolarHBondContact O-CG2 2.86Å
185R59.2Low80.3Confident82 Ų8257 Ų5731%0.30930%0.297SS..THydrogen-bonded Turntrans56.618.9-179.2-65.7-178.3172.5-167.5-4.6115.5D180 T183 N187 D242D180-R185 VanDerWaalsContact OD1-CA 3.3Å; D180-R185 WeakPolarHBondContact OD1-CA 3.42Å; D180-R185 PolarHBondContact OD1-N 3.25Å; T183-R185 PolarHBondContact O-N 3.32Å; R185-N187 VanDerWaalsContact C-N 3.3Å; R185-N187 PolarHBondContact O-N 3.29Å; R185-D242 IonicContact NH2-OD1 3.25Å; R185-D242 PolarHBondContact NH2-OD1 3.39Å
186S57.4Low79.6Confident33 Ų3358.2 Ų58.223%0.23131%0.314CS..SBendtrans-68.1-31.4175.452.70000113.2Y181 F182 T183 L184Y181-S186 PolarHBondContact N-OG 2.6Å; F182-S186 PolarHBondContact N-OG 2.99Å; T183-S186 PolarHBondContact N-OG 3.24Å; T183-S186 VanDerWaalsContact N-OG 3.16Å; T183-S186 VanDerWaalsContact O-CB 3.26Å; T183-S186 WeakPolarHBondContact O-CB 3.42Å; T183-S186 PolarHBondContact O-N 3.41Å; T183-S186 PolarHBondContact O-OG 2.88Å; T183-S186 WeakPolarHBondContact OG1-CB 3.49Å; L184-S186 PolarHBondContact O-N 3.07Å; L184-S186 VanDerWaalsContact O-N 3.11Å
187N77.5Confident78.5Confident1 Ų157.2 Ų57.21%0.00531%0.311CS..  trans-160.4157.2175.271.3-74.4000111Y160 M161 S178 F179 D180 Y181 R185Y160-N187 WeakPolarHBondContact O-CB 3.12Å; M161-N187 CarbonylContact O-C 3.44Å; M161-N187 VanDerWaalsContact O-CA 3.23Å; M161-N187 WeakPolarHBondContact O-CA 3.29Å; S178-N187 PolarHBondContact O-ND2 2.82Å; F179-N187 WeakPolarHBondContact CA-O 3.31Å; D180-N187 PolarHBondContact N-O 2.98Å; D180-N187 PolarHBondContact N-OD1 3.41Å; Y181-N187 VanDerWaalsContact CB-OD1 3.29Å; Y181-N187 WeakPolarHBondContact CB-OD1 3.47Å; Y181-N187 PolarHBondContact N-OD1 2.95Å; R185-N187 VanDerWaalsContact C-N 3.3Å; R185-N187 PolarHBondContact O-N 3.29Å
188E81.1Confident77.3Confident43 Ų4360.6 Ų60.620%0.20132%0.316CS..  trans-81.4158.7166.7-57.9-54.5148.500111.1M161 G163 V236 M433M161-E188 PolarHBondContact O-N 3.39Å; G163-E188 WeakPolarHBondContact CA-O 3.41Å; G163-E188 PolarHBondContact N-O 2.74Å; E188-V236 HydrophobicContact CB-CG1 3.73Å; E188-V236 HydrophobicContact CG-CG1 4.07Å; E188-M433 HydrophobicContact CG-CE 4.13Å
189G88.8Confident76Confident0 Ų061.1 Ų61.10%032%0.319CS..  trans-98.7140.9168.200000110.1F176 L237F176-G189 WeakPolarHBondContact O-CA 3.42Å; G189-L237 WeakPolarHBondContact O-CB 3.49Å; G189-L237 PolarHBondContact O-N 3.18Å
190A94.2Very high74.8Confident0 Ų063.1 Ų63.10%034%0.335CS..EExtended strand (participates in β ladder)trans-130.7160.1176.900000112.6G163 W164 I175 F176 S177 V234 F235G163-A190 WeakPolarHBondContact O-CB 3.28Å; W164-A190 HydrophobicContact CB-CB 4.03Å; W164-A190 HydrophobicContact CG-CB 4.39Å; I175-A190 VanDerWaalsContact CG2-O 3.27Å; I175-A190 WeakPolarHBondContact CG2-O 3.4Å; F176-A190 PolarHBondContact O-N 3.44Å; S177-A190 WeakPolarHBondContact CA-O 3.2Å; A190-V234 HydrophobicContact CB-CG1 4.32Å; A190-F235 CarbonylContact C-O 3.57Å; A190-F235 WeakPolarHBondContact CA-O 3.48Å; A190-F235 WeakPolarHBondContact CB-O 3.43Å
191Y96.5Very high74.2Confident110 Ų11065.9 Ų65.943%0.43135%0.347SS..EExtended strand (participates in β ladder)trans-139.2151.7170.769.2-83.9000111V234 F235 L237Y191-V234 WeakPolarHBondContact O-CA 3.49Å; Y191-F235 HydrophobicContact CD1-CB 4Å; Y191-F235 HydrophobicContact CD2-CB 4.5Å; Y191-F235 HydrophobicContact CD2-CD2 4.2Å; Y191-F235 HydrophobicContact CE1-CB 3.45Å; Y191-F235 VanDerWaalsContact CE1-CB 3.45Å; Y191-F235 HydrophobicContact CE1-CG 4.26Å; Y191-F235 HydrophobicContact CE2-CB 4.01Å; Y191-F235 AromaticContact CE2-CD2 3.59Å; Y191-F235 HydrophobicContact CE2-CD2 3.59Å; Y191-F235 HydrophobicContact CE2-CE2 4.4Å; Y191-F235 HydrophobicContact CE2-CG 4.03Å; Y191-F235 HydrophobicContact CG-CB 4.49Å; Y191-F235 VanDerWaalsContact CZ-CB 3.45Å; Y191-F235 AromaticContact CZ-CD2 3.81Å; Y191-F235 AromaticContact CZ-CG 3.74Å; Y191-F235 PolarHBondContact N-O 3.23Å; Y191-F235 PolarHBondContact O-N 2.92Å; Y191-L237 HydrophobicContact CD1-CD2 3.67Å; Y191-L237 HydrophobicContact CD1-CG 4.26Å; Y191-L237 HydrophobicContact CE1-CD2 3.86Å
192A96.2Very high73.3Confident34 Ų3468.1 Ų68.128%0.28137%0.365SS..EExtended strand (participates in β ladder)trans-106.4132.6174.300000110.4L173 I175 V232 N233 V234L173-A192 HydrophobicContact CD2-CB 4.13Å; I175-A192 HydrophobicContact CD1-CB 4.1Å; I175-A192 HydrophobicContact CG1-CB 4.05Å; A192-V232 HydrophobicContact CB-CG1 4.04Å; A192-N233 CarbonylContact C-O 3.6Å; A192-N233 WeakPolarHBondContact CA-O 3.32Å; A192-V234 HydrophobicContact CB-CG2 4.49Å
193C95.3Very high73.4Confident50 Ų5064.8 Ų64.834%0.33835%0.354SS..EExtended strand (participates in β ladder)trans-105.3117.7171.9-171.60000109.1N233 F235C193-N233 PolarHBondContact N-O 3.46Å; C193-N233 PolarHBondContact O-N 3.11Å; C193-F235 HydrophobicContact CB-CD2 4.32Å; C193-F235 HydrophobicContact CB-CE2 3.74Å
194V92.9Very high73.4Confident56 Ų5667.4 Ų67.434%0.33937%0.369SS..EExtended strand (participates in β ladder)trans-93.9118.3174.8-172.70000108.7V60 I64 I154 I230 Y231 V232V60-V194 HydrophobicContact CG1-CG1 4.2Å; I64-V194 HydrophobicContact CD1-CG1 3.85Å; I64-V194 HydrophobicContact CD1-CG2 4.23Å; I154-V194 HydrophobicContact CD1-CG2 4.49Å; V194-I230 HydrophobicContact CG1-CG2 3.6Å; V194-Y231 CarbonylContact C-O 3.56Å; V194-Y231 VanDerWaalsContact CA-O 3.31Å; V194-Y231 WeakPolarHBondContact CA-O 3.3Å; V194-V232 HydrophobicContact CG2-CG2 4.26Å
195T89.3Confident73.8Confident59 Ų5966.9 Ų66.936%0.36237%0.37SS..EExtended strand (participates in β ladder)trans-122.6149.817958.60000111.2I230 Y231T195-I230 WeakPolarHBondContact O-CA 3.29Å; T195-Y231 PolarHBondContact N-O 3.42Å; T195-Y231 PolarHBondContact O-N 3.35Å
196G82.9Confident74.3Confident47 Ų4766 Ų6649%0.48537%0.371SS..EExtended strand (participates in β ladder)trans-104.1144.3172.600000110.9N229G196-N229 CarbonylContact C-O 3.55Å; G196-N229 VanDerWaalsContact CA-O 3.3Å; G196-N229 WeakPolarHBondContact CA-O 3.35Å
197G73Confident75.2Confident4 Ų469.7 Ų69.74%0.04140%0.395CS..EExtended strand (participates in β ladder)trans-141.2153.8172.100000112.1N229G197-N229 PolarHBondContact N-O 2.77Å; G197-N229 PolarHBondContact O-N 2.63Å
198K67.8Low75.5Confident149 Ų14975.6 Ų75.665%0.64843%0.426SS*.  trans-70.4146.9173.2-68.9-180-179.6174.90109.6N200 E201K198-N200 PolarHBondContact O-N 3.29Å; K198-E201 HydrophobicContact CB-CG 4.42Å; K198-E201 PolarHBondContact O-N 3.03Å
199S60.1Low75.7Confident70 Ų7074.4 Ų74.449%0.4942%0.423SS..THydrogen-bonded Turntrans-53.8-29.6-177.256.80000114.6
200N56.1Low75.7Confident148 Ų14879.3 Ų79.379%0.79145%0.448SS*.THydrogen-bonded Turntrans-91.7-9.3-176.2-61.45.9000112.9K198 I202K198-N200 PolarHBondContact O-N 3.29Å; N200-I202 PolarHBondContact O-N 2.73Å
201E55.4Low75.5Confident93 Ų9380.8 Ų80.844%0.43546%0.457SS..  trans-84102.4169.7-71.2171.2-167.300106.9K198 N203K198-E201 HydrophobicContact CB-CG 4.42Å; K198-E201 PolarHBondContact O-N 3.03Å; E201-N203 PolarHBondContact O-N 3.04Å; E201-N203 PolarHBondContact OE2-ND2 3.49Å
202I52.5Low75.2Confident162 Ų16276.5 Ų76.583%0.83144%0.444SS*.  trans-63.878.6163.5-55.4170.7000105.8N200 V204N200-I202 PolarHBondContact O-N 2.73Å; I202-V204 VanDerWaalsContact C-N 3.3Å; I202-V204 PolarHBondContact O-N 3.36Å
203N54.8Low75Confident77 Ų7776 Ų7641%0.41244%0.436SS..  trans-77.695.1178.2-84.4-26.3000107.4E201 T205E201-N203 PolarHBondContact O-N 3.04Å; E201-N203 PolarHBondContact OE2-ND2 3.49Å; N203-T205 PolarHBondContact O-N 2.85Å
204V55.1Low74.6Confident112 Ų11279 Ų7968%0.67944%0.441SS*.  trans-18.2113.2154.3-175.60000109.1I202 N206I202-V204 VanDerWaalsContact C-N 3.3Å; I202-V204 PolarHBondContact O-N 3.36Å; V204-N206 PolarHBondContact O-N 3.25Å; V204-N206 VanDerWaalsContact O-N 3.12Å
205T63.7Low74.2Confident74 Ų7476.6 Ų76.645%0.45443%0.427SS..  trans-35.6123.4161.541.50000108N203 P207 Y214N203-T205 PolarHBondContact O-N 2.85Å; T205-P207 VanDerWaalsContact O-CD 3.29Å; T205-P207 WeakPolarHBondContact O-CD 3.2Å; T205-Y214 WeakPolarHBondContact CG2-OH 3.12Å
206N70Confident73.5Confident64 Ų6480.3 Ų80.334%0.34244%0.444SS..  trans-55.6117.7179.3-178.5-34.3000106.8V204 N208 A209 F235V204-N206 PolarHBondContact O-N 3.25Å; V204-N206 VanDerWaalsContact O-N 3.12Å; N206-N208 PolarHBondContact O-N 2.86Å; N206-N208 PolarHBondContact OD1-N 3.1Å; N206-A209 HydrophobicContact CB-CB 4.06Å; N206-A209 VanDerWaalsContact O-CB 3.3Å; N206-A209 WeakPolarHBondContact O-CB 3.03Å; N206-A209 PolarHBondContact O-N 2.77Å; N206-F235 HydrophobicContact CB-CZ 4.21Å; N206-F235 WeakPolarHBondContact ND2-CZ 3.23Å
207P76.1Confident72.8Confident111 Ų11181.8 Ų81.872%0.72144%0.437SS*.THydrogen-bonded Turntrans-65.3-16-169.325.3-34.7000112.5T205T205-P207 VanDerWaalsContact O-CD 3.29Å; T205-P207 WeakPolarHBondContact O-CD 3.2Å
208N83.1Confident72.2Confident125 Ų12587.6 Ų87.667%0.66848%0.475SS*.THydrogen-bonded Turntrans-92.9-8.1175.4-60.4-28.1000113.1N206 F235N206-N208 PolarHBondContact O-N 2.86Å; N206-N208 PolarHBondContact OD1-N 3.1Å; N208-F235 HydrophobicContact CB-CE1 4.23Å; N208-F235 WeakPolarHBondContact O-CD1 3.3Å
209A87Confident71.8Confident17 Ų1783.6 Ų83.614%0.1446%0.463CS..  trans-7513317400000109.2N206 V211 N233 V234 F235N206-A209 HydrophobicContact CB-CB 4.06Å; N206-A209 VanDerWaalsContact O-CB 3.3Å; N206-A209 WeakPolarHBondContact O-CB 3.03Å; N206-A209 PolarHBondContact O-N 2.77Å; A209-V211 VanDerWaalsContact C-N 3.31Å; A209-N233 HydrophobicContact CB-CB 3.87Å; A209-V234 CarbonylContact C-O 3.4Å; A209-V234 WeakPolarHBondContact CA-O 3.2Å; A209-F235 HydrophobicContact CB-CD1 4.37Å; A209-F235 HydrophobicContact CB-CE1 3.8Å; A209-F235 HydrophobicContact CB-CE2 4.48Å; A209-F235 HydrophobicContact CB-CZ 3.86Å
210I88Confident71.6Confident103 Ų10384.7 Ų84.753%0.52847%0.469SS..SBendtrans-72-33.9177.5-57.2-57.8000110.4W164 V234 V236W164-I210 HydrophobicContact CZ2-CB 4.48Å; W164-I210 HydrophobicContact CZ2-CG2 3.54Å; I210-V234 PolarHBondContact N-O 3.01Å; I210-V236 HydrophobicContact CG1-CB 4.49Å; I210-V236 HydrophobicContact CG1-CG2 3.98Å
211V90.8Very high71.5Confident31 Ų3187.5 Ų87.519%0.18847%0.474CS..EExtended strand (participates in β ladder)trans-147.4143.2172.561.90000110.4W164 I166 A209 L213 N233 V234W164-V211 HydrophobicContact CD2-CG1 4.42Å; W164-V211 HydrophobicContact CE3-CG1 3.95Å; W164-V211 HydrophobicContact CH2-CB 4.12Å; W164-V211 HydrophobicContact CH2-CG1 3.79Å; W164-V211 HydrophobicContact CZ2-CG1 4.27Å; W164-V211 HydrophobicContact CZ3-CB 4.33Å; W164-V211 HydrophobicContact CZ3-CG1 3.62Å; I166-V211 HydrophobicContact CD1-CB 4.45Å; I166-V211 HydrophobicContact CD1-CG1 4.04Å; I166-V211 HydrophobicContact CD1-CG2 3.72Å; A209-V211 VanDerWaalsContact C-N 3.31Å; V211-L213 HydrophobicContact CG2-CD2 4.27Å; V211-L213 HydrophobicContact CG2-CG 4.44Å; V211-N233 WeakPolarHBondContact O-CA 3.12Å; V211-V234 HydrophobicContact CG1-CB 3.59Å; V211-V234 HydrophobicContact CG1-CG1 4.43Å; V211-V234 HydrophobicContact CG1-CG2 3.62Å; V211-V234 PolarHBondContact O-N 3.24Å
212S90.1Very high71.6Confident21 Ų2190.1 Ų90.115%0.14749%0.491CS..EExtended strand (participates in β ladder)trans-119.7124.9173.6-61.10000109Y214 V232 N233S212-Y214 WeakPolarHBondContact O-CE2 3.25Å; S212-V232 WeakPolarHBondContact CA-O 3.44Å; S212-N233 WeakPolarHBondContact CB-OD1 3.47Å; S212-N233 PolarHBondContact OG-OD1 3.26Å
213L90.6Very high71.7Confident22 Ų2285.4 Ų85.412%0.11547%0.47CS..EExtended strand (participates in β ladder)trans-112151.1176.3-57.5169.1000110.8M152 I166 L173 V211 V232M152-L213 HydrophobicContact CE-CB 3.64Å; M152-L213 HydrophobicContact CE-CD1 3.51Å; M152-L213 HydrophobicContact CE-CG 4.14Å; M152-L213 HydrophobicContact SD-CD1 4.36Å; I166-L213 HydrophobicContact CD1-CD1 3.95Å; I166-L213 HydrophobicContact CD1-CD2 3.81Å; I166-L213 HydrophobicContact CD1-CG 4.22Å; I166-L213 HydrophobicContact CG1-CD1 4.16Å; L173-L213 HydrophobicContact CB-CD1 4.31Å; L173-L213 HydrophobicContact CD1-CD1 4.35Å; L173-L213 HydrophobicContact CD2-CD1 4.28Å; V211-L213 HydrophobicContact CG2-CD2 4.27Å; V211-L213 HydrophobicContact CG2-CG 4.44Å; L213-V232 HydrophobicContact CB-CB 4.28Å; L213-V232 PolarHBondContact N-O 3.37Å; L213-V232 PolarHBondContact O-N 3.02Å
214Y87.2Confident71.4Confident113 Ų11391.6 Ų91.644%0.44349%0.493SS..  trans-125.988.1-173.4-52.6-92.2000109.5T205 S212 L216 Y231T205-Y214 WeakPolarHBondContact CG2-OH 3.12Å; S212-Y214 WeakPolarHBondContact O-CE2 3.25Å; Y214-L216 PolarHBondContact O-N 3.12Å; Y214-Y231 AromaticContact CD1-CD1 3.33Å; Y214-Y231 HydrophobicContact CD1-CD1 3.33Å; Y214-Y231 AromaticContact CD1-CE1 3.47Å; Y214-Y231 HydrophobicContact CD1-CE1 3.47Å; Y214-Y231 VanDerWaalsContact CD1-CE1 3.47Å; Y214-Y231 AromaticContact CE1-CD1 3.32Å; Y214-Y231 HydrophobicContact CE1-CD1 3.32Å; Y214-Y231 AromaticContact CE1-CE1 3.44Å; Y214-Y231 HydrophobicContact CE1-CE1 3.44Å; Y214-Y231 VanDerWaalsContact CE1-CE1 3.44Å
215P84.9Confident71.3Confident6 Ų692.7 Ų92.74%0.03950%0.495CS..  trans-69.796.1179.2-16.331.1000111.2R63 I64 S151 M152 I230 V232R63-P215 PolarHBondContact NE-O 3.45Å; I64-P215 HydrophobicContact CD1-CG 4.25Å; I64-P215 HydrophobicContact CG1-CB 4.4Å; I64-P215 HydrophobicContact CG1-CG 4.21Å; S151-P215 WeakPolarHBondContact OG-CB 3.41Å; M152-P215 HydrophobicContact CB-CB 4.13Å; M152-P215 HydrophobicContact CB-CG 4.24Å; M152-P215 HydrophobicContact CE-CG 3.94Å; M152-P215 HydrophobicContact SD-CG 3.97Å; P215-I230 WeakPolarHBondContact CD-O 3.3Å; P215-V232 HydrophobicContact CG-CG2 3.74Å
216L75.2Confident70.9Confident137 Ų13794.4 Ų94.472%0.71751%0.51SS*.  trans-76.6136179.4-63.6173.6000110.4S151 Y214S151-L216 WeakPolarHBondContact CB-O 3.23Å; Y214-L216 PolarHBondContact O-N 3.12Å
217K67.3Low70.5Confident78 Ų7893.6 Ų93.634%0.33951%0.509SS..  trans-86.9128.7164.9-171166.1-166.8173.80108.2R63 V219R63-K217 VanDerWaalsContact NH1-CB 3.31Å; K217-V219 VanDerWaalsContact C-N 3.34Å; K217-V219 HydrophobicContact CB-CG2 4.02Å; K217-V219 HydrophobicContact CD-CG2 4.41Å; K217-V219 HydrophobicContact CG-CG2 4Å; K217-V219 PolarHBondContact O-N 3.23Å
218C60.3Low70.3Confident127 Ų12792.2 Ų92.286%0.85850%0.495SS*.  trans-67.199161.7-68.60000107.3
219V58.8Low70.1Confident64 Ų6488.5 Ų88.539%0.38848%0.476SS..  trans-96.7135.5174-1650000107.6K217 T223K217-V219 VanDerWaalsContact C-N 3.34Å; K217-V219 HydrophobicContact CB-CG2 4.02Å; K217-V219 HydrophobicContact CD-CG2 4.41Å; K217-V219 HydrophobicContact CG-CG2 4Å; K217-V219 PolarHBondContact O-N 3.23Å; V219-T223 VanDerWaalsContact CG1-CB 3.42Å; V219-T223 HydrophobicContact CG1-CG2 4.23Å
220P56.2Low70.1Confident94 Ų9488.1 Ų88.161%0.6147%0.471SS*.  trans-51.6142.7168.9-24.233000110.4D222 T223P220-D222 PolarHBondContact O-N 2.79Å; P220-T223 PolarHBondContact O-N 3.49Å; P220-T223 VanDerWaalsContact O-N 3.11Å; P220-T223 PolarHBondContact O-OG1 3.09Å
221K55Low70.2Confident207 Ų20784.3 Ų84.390%0.945%0.45SS*.THydrogen-bonded Turntrans-52.1-23.1-173.1-74.8-176.1176.5178.80114.3
222D56.1Low70.3Confident148 Ų14882.9 Ų82.979%0.79144%0.441SS*.THydrogen-bonded Turntrans-97.40.7-172.4-57.4-34.9000114.6P220 F224P220-D222 PolarHBondContact O-N 2.79Å; D222-F224 PolarHBondContact O-N 3.42Å
223T54.4Low70.5Confident63 Ų6382.4 Ų82.439%0.38744%0.437SS..  trans-94.291.1-177.3-29.60000111.5V219 P220 L225V219-T223 VanDerWaalsContact CG1-CB 3.42Å; V219-T223 HydrophobicContact CG1-CG2 4.23Å; P220-T223 PolarHBondContact O-N 3.49Å; P220-T223 VanDerWaalsContact O-N 3.11Å; P220-T223 PolarHBondContact O-OG1 3.09Å; T223-L225 HydrophobicContact CG2-CD1 3.82Å; T223-L225 PolarHBondContact O-N 2.88Å
224F49Very low70.8Confident206 Ų20681.4 Ų81.490%0.90443%0.432SS*.  trans-73.643.9173.9-86.2-87.4000113.9D222D222-F224 PolarHBondContact O-N 3.42Å
225L53.6Low71.1Confident135 Ų13577 Ų7771%0.70742%0.415SS*.  trans-81.8128168.1-96.7127000108.6T223 S227T223-L225 HydrophobicContact CG2-CD1 3.82Å; T223-L225 PolarHBondContact O-N 2.88Å; L225-S227 PolarHBondContact O-N 2.7Å
226S55.2Low71.3Confident111 Ų11178.8 Ų78.878%0.77643%0.425SS*.  trans-60.980.9167.659.90000108.8L228S226-L228 PolarHBondContact O-N 3.29Å
227S62Low71.8Confident46 Ų4675.4 Ų75.432%0.32241%0.408SS..PPolyproline II helixtrans-71.9125.4-177.669.90000108.3L225 N229L225-S227 PolarHBondContact O-N 2.7Å; S227-N229 PolarHBondContact O-N 3.16Å
228L70.4Confident72Confident83 Ų8378.4 Ų78.444%0.43543%0.426SS..PPolyproline II helixtrans-56.1125.2169.9-16877.8000108.4S226S226-L228 PolarHBondContact O-N 3.29Å
229N80Confident72Confident47 Ų4774.4 Ų74.425%0.25139%0.394SS..EExtended strand (participates in β ladder)trans-70.7134.3171.7-73.8-13.4000108.1G196 G197 S227 Y231G196-N229 CarbonylContact C-O 3.55Å; G196-N229 VanDerWaalsContact CA-O 3.3Å; G196-N229 WeakPolarHBondContact CA-O 3.35Å; G197-N229 PolarHBondContact N-O 2.77Å; G197-N229 PolarHBondContact O-N 2.63Å; S227-N229 PolarHBondContact O-N 3.16Å; N229-Y231 HydrophobicContact CB-CE2 3.72Å; N229-Y231 WeakPolarHBondContact CB-OH 3.44Å; N229-Y231 PolarHBondContact ND2-OH 3.47Å
230I87.6Confident71.9Confident8 Ų877.7 Ų77.74%0.04141%0.414CS..EExtended strand (participates in β ladder)trans-107.2135.1175.2-59.1173.3000107.8N61 R63 I64 V194 T195 P215N61-I230 HydrophobicContact CB-CD1 3.7Å; N61-I230 WeakPolarHBondContact ND2-CD1 3.48Å; N61-I230 WeakPolarHBondContact ND2-CG1 3.26Å; R63-I230 HydrophobicContact CB-CD1 3.44Å; R63-I230 VanDerWaalsContact CB-CD1 3.44Å; R63-I230 HydrophobicContact CG-CD1 3.53Å; I64-I230 HydrophobicContact CD1-CG2 3.89Å; V194-I230 HydrophobicContact CG1-CG2 3.6Å; T195-I230 WeakPolarHBondContact O-CA 3.29Å; P215-I230 WeakPolarHBondContact CD-O 3.3Å
231Y89.1Confident71.6Confident24 Ų2480.3 Ų80.39%0.09442%0.418CS..EExtended strand (participates in β ladder)trans-122.2133.4176.6-53.1-84.3000108.8V194 T195 Y214 N229V194-Y231 CarbonylContact C-O 3.56Å; V194-Y231 VanDerWaalsContact CA-O 3.31Å; V194-Y231 WeakPolarHBondContact CA-O 3.3Å; T195-Y231 PolarHBondContact N-O 3.42Å; T195-Y231 PolarHBondContact O-N 3.35Å; Y214-Y231 AromaticContact CD1-CD1 3.33Å; Y214-Y231 HydrophobicContact CD1-CD1 3.33Å; Y214-Y231 AromaticContact CD1-CE1 3.47Å; Y214-Y231 HydrophobicContact CD1-CE1 3.47Å; Y214-Y231 VanDerWaalsContact CD1-CE1 3.47Å; Y214-Y231 AromaticContact CE1-CD1 3.32Å; Y214-Y231 HydrophobicContact CE1-CD1 3.32Å; Y214-Y231 AromaticContact CE1-CE1 3.44Å; Y214-Y231 HydrophobicContact CE1-CE1 3.44Å; Y214-Y231 VanDerWaalsContact CE1-CE1 3.44Å; N229-Y231 HydrophobicContact CB-CE2 3.72Å; N229-Y231 WeakPolarHBondContact CB-OH 3.44Å; N229-Y231 PolarHBondContact ND2-OH 3.47Å
232V93.8Very high71.2Confident0 Ų073.3 Ų73.30%039%0.391CS..EExtended strand (participates in β ladder)trans-114.2105.6174.4-176.50000107.6I64 M152 I154 L173 A192 V194 S212 L213 P215I64-V232 HydrophobicContact CD1-CG2 3.63Å; M152-V232 HydrophobicContact SD-CB 4.46Å; M152-V232 HydrophobicContact SD-CG2 4.04Å; I154-V232 HydrophobicContact CD1-CG1 3.95Å; I154-V232 HydrophobicContact CD1-CG2 4.45Å; L173-V232 HydrophobicContact CD2-CG1 3.66Å; A192-V232 HydrophobicContact CB-CG1 4.04Å; V194-V232 HydrophobicContact CG2-CG2 4.26Å; S212-V232 WeakPolarHBondContact CA-O 3.44Å; L213-V232 HydrophobicContact CB-CB 4.28Å; L213-V232 PolarHBondContact N-O 3.37Å; L213-V232 PolarHBondContact O-N 3.02Å; P215-V232 HydrophobicContact CG-CG2 3.74Å
233N94.3Very high70.7Confident12 Ų1274.5 Ų74.56%0.06439%0.392CS..EExtended strand (participates in β ladder)trans-104.1125.7-177.5-64.6-72.4000109.8A192 C193 A209 V211 S212 F235A192-N233 CarbonylContact C-O 3.6Å; A192-N233 WeakPolarHBondContact CA-O 3.32Å; C193-N233 PolarHBondContact N-O 3.46Å; C193-N233 PolarHBondContact O-N 3.11Å; A209-N233 HydrophobicContact CB-CB 3.87Å; V211-N233 WeakPolarHBondContact O-CA 3.12Å; S212-N233 WeakPolarHBondContact CB-OD1 3.47Å; S212-N233 PolarHBondContact OG-OD1 3.26Å; N233-F235 HydrophobicContact CB-CE2 3.61Å; N233-F235 HydrophobicContact CB-CZ 3.87Å; N233-F235 WeakPolarHBondContact O-CE2 3.42Å
234V95.2Very high70.1Confident0 Ų077.4 Ų77.40%041%0.409CS..EExtended strand (participates in β ladder)trans-100.2134.8-179.9-177.20000110.3W164 L173 I175 A190 Y191 A192 A209 I210 V211W164-V234 HydrophobicContact CB-CG1 3.88Å; W164-V234 HydrophobicContact CD2-CG1 4.07Å; W164-V234 HydrophobicContact CG-CG1 3.66Å; L173-V234 HydrophobicContact CD1-CG2 3.94Å; L173-V234 HydrophobicContact CD2-CG2 3.91Å; I175-V234 HydrophobicContact CD1-CG1 3.87Å; I175-V234 HydrophobicContact CD1-CG2 4.1Å; A190-V234 HydrophobicContact CB-CG1 4.32Å; Y191-V234 WeakPolarHBondContact O-CA 3.49Å; A192-V234 HydrophobicContact CB-CG2 4.49Å; A209-V234 CarbonylContact C-O 3.4Å; A209-V234 WeakPolarHBondContact CA-O 3.2Å; I210-V234 PolarHBondContact N-O 3.01Å; V211-V234 HydrophobicContact CG1-CB 3.59Å; V211-V234 HydrophobicContact CG1-CG1 4.43Å; V211-V234 HydrophobicContact CG1-CG2 3.62Å; V211-V234 PolarHBondContact O-N 3.24Å
235F94Very high69.6Low22 Ų2271.5 Ų71.510%0.09639%0.386CS..EExtended strand (participates in β ladder)trans-126.3140.1178.9-58.4-89.6000109.6A190 Y191 C193 N206 N208 A209 N233A190-F235 CarbonylContact C-O 3.57Å; A190-F235 WeakPolarHBondContact CA-O 3.48Å; A190-F235 WeakPolarHBondContact CB-O 3.43Å; Y191-F235 HydrophobicContact CD1-CB 4Å; Y191-F235 HydrophobicContact CD2-CB 4.5Å; Y191-F235 HydrophobicContact CD2-CD2 4.2Å; Y191-F235 HydrophobicContact CE1-CB 3.45Å; Y191-F235 VanDerWaalsContact CE1-CB 3.45Å; Y191-F235 HydrophobicContact CE1-CG 4.26Å; Y191-F235 HydrophobicContact CE2-CB 4.01Å; Y191-F235 AromaticContact CE2-CD2 3.59Å; Y191-F235 HydrophobicContact CE2-CD2 3.59Å; Y191-F235 HydrophobicContact CE2-CE2 4.4Å; Y191-F235 HydrophobicContact CE2-CG 4.03Å; Y191-F235 HydrophobicContact CG-CB 4.49Å; Y191-F235 VanDerWaalsContact CZ-CB 3.45Å; Y191-F235 AromaticContact CZ-CD2 3.81Å; Y191-F235 AromaticContact CZ-CG 3.74Å; Y191-F235 PolarHBondContact N-O 3.23Å; Y191-F235 PolarHBondContact O-N 2.92Å; C193-F235 HydrophobicContact CB-CD2 4.32Å; C193-F235 HydrophobicContact CB-CE2 3.74Å; N206-F235 HydrophobicContact CB-CZ 4.21Å; N206-F235 WeakPolarHBondContact ND2-CZ 3.23Å; N208-F235 HydrophobicContact CB-CE1 4.23Å; N208-F235 WeakPolarHBondContact O-CD1 3.3Å; A209-F235 HydrophobicContact CB-CD1 4.37Å; A209-F235 HydrophobicContact CB-CE1 3.8Å; A209-F235 HydrophobicContact CB-CE2 4.48Å; A209-F235 HydrophobicContact CB-CZ 3.86Å; N233-F235 HydrophobicContact CB-CE2 3.61Å; N233-F235 HydrophobicContact CB-CZ 3.87Å; N233-F235 WeakPolarHBondContact O-CE2 3.42Å
236V89.2Confident69.1Low42 Ų4268.9 Ų68.926%0.25537%0.373SS..EExtended strand (participates in β ladder)trans-91.4134.9170.7175.60000108.6E188 I210 I238E188-V236 HydrophobicContact CB-CG1 3.73Å; E188-V236 HydrophobicContact CG-CG1 4.07Å; I210-V236 HydrophobicContact CG1-CB 4.49Å; I210-V236 HydrophobicContact CG1-CG2 3.98Å; V236-I238 PolarHBondContact O-N 3.27Å
237L86.6Confident68.6Low66 Ų6672.6 Ų72.635%0.34638%0.375SS..PPolyproline II helixtrans-68.9119.8176.9-66.9174.2000109.4S177 G189 Y191S177-L237 WeakPolarHBondContact O-CD1 3.19Å; G189-L237 WeakPolarHBondContact O-CB 3.49Å; G189-L237 PolarHBondContact O-N 3.18Å; Y191-L237 HydrophobicContact CD1-CD2 3.67Å; Y191-L237 HydrophobicContact CD1-CG 4.26Å; Y191-L237 HydrophobicContact CE1-CD2 3.86Å
238I71Confident67.6Low142 Ų14277.3 Ų77.373%0.72840%0.397SS*.PPolyproline II helixtrans-86.6125.5178.5-56.3173.6000109.2V236 V240V236-I238 PolarHBondContact O-N 3.27Å; I238-V240 PolarHBondContact O-N 3.24Å
239K61.4Low66.2Low42 Ų4282.6 Ų82.618%0.18341%0.411CS..  trans-71.8115.8170.6-68.6-178.3-172.7176.70109.3D180 Q241 D242D180-K239 IonicContact OD1-NZ 3.81Å; D180-K239 PolarHBondContact OD1-NZ 2.94Å; D180-K239 IonicContact OD2-NZ 3.75Å; D180-K239 PolarHBondContact OD2-NZ 3.25Å; K239-Q241 PolarHBondContact O-N 3.15Å; K239-D242 HydrophobicContact CB-CB 4.43Å; K239-D242 WeakPolarHBondContact CB-OD2 3.47Å; K239-D242 PolarHBondContact O-N 3.23Å
240V56.1Low64.8Low133 Ų13384.3 Ų84.381%0.80642%0.423SS*.THydrogen-bonded Turntrans-53.8-27.2175.5179.80000112.1I238I238-V240 PolarHBondContact O-N 3.24Å
241Q49.6Very low62.9Low150 Ų15086.5 Ų86.570%0.70144%0.435SS*.THydrogen-bonded Turntrans-80.9-19.6-179.5-80.1176.2-2.900115.4K239 Q243 V244 L245K239-Q241 PolarHBondContact O-N 3.15Å; Q241-Q243 PolarHBondContact O-N 3.13Å; Q241-V244 PolarHBondContact O-N 3.1Å; Q241-L245 HydrophobicContact CB-CD1 4.5Å
242D46.7Very low61.1Low60 Ų6090.4 Ų90.432%0.32146%0.457SS..Hα-helixtrans-70.9-19.7-178.7-81.5-41.1000112.2R185 K239 V244R185-D242 IonicContact NH2-OD1 3.25Å; R185-D242 PolarHBondContact NH2-OD1 3.39Å; K239-D242 HydrophobicContact CB-CB 4.43Å; K239-D242 WeakPolarHBondContact CB-OD2 3.47Å; K239-D242 PolarHBondContact O-N 3.23Å; D242-V244 PolarHBondContact O-N 3.22Å
243Q44.7Very low59.7Low173 Ų17391.6 Ų91.681%0.80846%0.463SS*.Hα-helixtrans-69-16.4174.2-69.1-170.4-3.500114.2Q241Q241-Q243 PolarHBondContact O-N 3.13Å
244V42.6Very low58.3Low123 Ų12394.6 Ų94.675%0.74548%0.484SS*.Hα-helixtrans-114-17.9-172.7-1780000113.6Q241 D242Q241-V244 PolarHBondContact O-N 3.1Å; D242-V244 PolarHBondContact O-N 3.22Å
245L39Very low57.1Low83 Ų8395.4 Ų95.444%0.43549%0.489SS..Hα-helixtrans-113.98.2-164.2-75.3164.3000116.4Q241 K247Q241-L245 HydrophobicContact CB-CD1 4.5Å; L245-K247 PolarHBondContact O-N 3.13Å; L245-K247 VanDerWaalsContact O-N 3.15Å
246D41.9Very low56.2Low80 Ų8094.7 Ų94.743%0.42849%0.486SS..THydrogen-bonded Turntrans-90.740.4-162.3-152.928.6000117.4
247K45.8Very low55.4Low188 Ų18895.6 Ų95.682%0.81749%0.488SS*.THydrogen-bonded Turntrans-127.2-28.2168.6-73.6-168.8177.7-179.80117.4L245L245-K247 PolarHBondContact O-N 3.13Å; L245-K247 VanDerWaalsContact O-N 3.15Å
248N40.2Very low55Low146 Ų14695.1 Ų95.178%0.78149%0.494SS*.THydrogen-bonded Turntrans-123.5-2.9-170.6-72.9-18.4000115.8
249R41Very low55.6Low194 Ų19489.4 Ų89.473%0.73246%0.464SS*.  trans-105.51.1-173.5-82.5-171.4177.8-174.50.8116.4L251R249-L251 PolarHBondContact O-N 3.26Å
250T52.1Low56.4Low83 Ų8387.6 Ų87.651%0.50946%0.456SS..G310 helixtrans-59.1-15.9168.334.20000113.2N252T250-N252 PolarHBondContact O-N 3.02Å
251L46.9Very low57.5Low53 Ų5383.6 Ų83.628%0.27743%0.433SS..G310 helixtrans-66.9-28.7-177.5-125.475.9000114.9R249 P339 S420R249-L251 PolarHBondContact O-N 3.26Å; L251-P339 HydrophobicContact CD1-CG 4.39Å; L251-S420 WeakPolarHBondContact CD2-OG 3.44Å; L251-S420 WeakPolarHBondContact CG-OG 3.44Å
252N50.8Low59.3Low106 Ų10677.1 Ų77.157%0.56740%0.404SS*.G310 helixtrans-129.739.6-165.8-73.2-6.4000114.1T250 P254T250-N252 PolarHBondContact O-N 3.02Å; N252-P254 VanDerWaalsContact O-CD 3.27Å; N252-P254 WeakPolarHBondContact O-CD 3.45Å
253D65.1Low61.2Low25 Ų2574.7 Ų74.713%0.13439%0.39CS..  trans-64.6118.8172.7176.14.4000110.1V255 N256 M257D253-V255 PolarHBondContact O-N 3.37Å; D253-V255 VanDerWaalsContact O-N 3.12Å; D253-V255 WeakPolarHBondContact OD1-CB 3.36Å; D253-V255 WeakPolarHBondContact OD1-CG2 3.44Å; D253-V255 PolarHBondContact OD1-N 2.93Å; D253-N256 HydrophobicContact CB-CB 3.83Å; D253-N256 WeakPolarHBondContact O-CB 3.16Å; D253-N256 PolarHBondContact O-N 3.46Å; D253-N256 VanDerWaalsContact O-N 3.09Å; D253-M257 WeakPolarHBondContact O-CG 3.39Å; D253-M257 PolarHBondContact O-N 3.26Å
254P64.6Low62.8Low75 Ų7568.1 Ų68.149%0.48736%0.359SS..Hα-helixtrans-54-30177-2635.3000113.5N252 A258N252-P254 VanDerWaalsContact O-CD 3.27Å; N252-P254 WeakPolarHBondContact O-CD 3.45Å; P254-A258 WeakPolarHBondContact O-CB 3.43Å; P254-A258 PolarHBondContact O-N 2.9Å
255V69Low64.8Low18 Ų1869 Ų6911%0.10935%0.349CS..Hα-helixtrans-69.2-50.9176.7-172.20000110.4T183 L184 D253 M257 A258 F259 I426T183-V255 HydrophobicContact CG2-CG2 4.18Å; T183-V255 WeakPolarHBondContact OG1-CG2 3.36Å; L184-V255 WeakPolarHBondContact O-CG2 2.86Å; D253-V255 PolarHBondContact O-N 3.37Å; D253-V255 VanDerWaalsContact O-N 3.12Å; D253-V255 WeakPolarHBondContact OD1-CB 3.36Å; D253-V255 WeakPolarHBondContact OD1-CG2 3.44Å; D253-V255 PolarHBondContact OD1-N 2.93Å; V255-M257 PolarHBondContact O-N 2.76Å; V255-A258 WeakPolarHBondContact O-CB 3.39Å; V255-A258 PolarHBondContact O-N 3.38Å; V255-F259 HydrophobicContact CG1-CD2 3.83Å; V255-F259 HydrophobicContact CG1-CE2 3.9Å; V255-F259 WeakPolarHBondContact O-CD2 3.45Å; V255-F259 PolarHBondContact O-N 3.01Å; V255-I426 HydrophobicContact CG1-CD1 4.07Å
256N76Confident67.2Low6 Ų665 Ų653%0.03233%0.328CS..Hα-helixtrans-53.9-48174.3-179.575.7000110.4D253 A258 F259 V260 F421 L422 F423 I426D253-N256 HydrophobicContact CB-CB 3.83Å; D253-N256 WeakPolarHBondContact O-CB 3.16Å; D253-N256 PolarHBondContact O-N 3.46Å; D253-N256 VanDerWaalsContact O-N 3.09Å; N256-A258 VanDerWaalsContact C-N 3.33Å; N256-A258 PolarHBondContact O-N 3.26Å; N256-F259 PolarHBondContact O-N 2.83Å; N256-V260 VanDerWaalsContact O-CB 3.28Å; N256-V260 WeakPolarHBondContact O-CB 3.49Å; N256-V260 WeakPolarHBondContact O-CG2 3.45Å; N256-V260 PolarHBondContact O-N 2.94Å; N256-F421 PolarHBondContact ND2-O 3.38Å; N256-L422 VanDerWaalsContact OD1-CA 3.26Å; N256-L422 WeakPolarHBondContact OD1-CA 2.88Å; N256-F423 PolarHBondContact OD1-N 2.98Å; N256-I426 HydrophobicContact CB-CD1 4.42Å
257M71.5Confident69.3Low61 Ų6162.3 Ų62.330%0.331%0.314SS..Hα-helixtrans-60.7-40.6176.2-68.5-58-66.800112.6D253 V255 V260 C261D253-M257 WeakPolarHBondContact O-CG 3.39Å; D253-M257 PolarHBondContact O-N 3.26Å; V255-M257 PolarHBondContact O-N 2.76Å; M257-V260 PolarHBondContact O-N 3.42Å; M257-C261 WeakPolarHBondContact O-CB 3.27Å; M257-C261 PolarHBondContact O-N 3.43Å; M257-C261 PolarHBondContact O-SG 3.36Å
258A78.5Confident71.1Confident57 Ų5761.2 Ų61.247%0.47130%0.304SS..Hα-helixtrans-63.7-42.9176.700000112.1P254 V255 N256 C261 L262P254-A258 WeakPolarHBondContact O-CB 3.43Å; P254-A258 PolarHBondContact O-N 2.9Å; V255-A258 WeakPolarHBondContact O-CB 3.39Å; V255-A258 PolarHBondContact O-N 3.38Å; N256-A258 VanDerWaalsContact C-N 3.33Å; N256-A258 PolarHBondContact O-N 3.26Å; A258-C261 PolarHBondContact O-N 3.02Å; A258-L262 VanDerWaalsContact O-CB 3.3Å; A258-L262 WeakPolarHBondContact O-CB 3.26Å; A258-L262 PolarHBondContact O-N 3.01Å
259F83.7Confident73.6Confident22 Ų2257.2 Ų57.210%0.09628%0.281CS..Hα-helixtrans-69.8-38.3176.8-88.9-86.4000112.7V255 N256 L262 W263 L310 F313 F423 I426V255-F259 HydrophobicContact CG1-CD2 3.83Å; V255-F259 HydrophobicContact CG1-CE2 3.9Å; V255-F259 WeakPolarHBondContact O-CD2 3.45Å; V255-F259 PolarHBondContact O-N 3.01Å; N256-F259 PolarHBondContact O-N 2.83Å; F259-L262 HydrophobicContact CD1-CD2 4.39Å; F259-L262 PolarHBondContact O-N 2.95Å; F259-W263 WeakPolarHBondContact O-CB 3.45Å; F259-W263 PolarHBondContact O-N 3.07Å; F259-L310 HydrophobicContact CE1-CD2 4.01Å; F259-L310 HydrophobicContact CZ-CD2 3.96Å; F259-F313 HydrophobicContact CD1-CB 4.24Å; F259-F313 HydrophobicContact CE1-CB 3.46Å; F259-F313 VanDerWaalsContact CE1-CB 3.46Å; F259-F313 HydrophobicContact CE1-CD1 4.09Å; F259-F313 AromaticContact CE1-CD2 3.86Å; F259-F313 HydrophobicContact CE1-CD2 3.86Å; F259-F313 AromaticContact CE1-CG 3.54Å; F259-F313 HydrophobicContact CE1-CG 3.54Å; F259-F313 HydrophobicContact CZ-CB 4.09Å; F259-F313 AromaticContact CZ-CD1 3.94Å; F259-F313 HydrophobicContact CZ-CD1 3.94Å; F259-F313 AromaticContact CZ-CD2 3.65Å; F259-F313 HydrophobicContact CZ-CD2 3.65Å; F259-F313 HydrophobicContact CZ-CE1 4.26Å; F259-F313 HydrophobicContact CZ-CE2 4Å; F259-F313 AromaticContact CZ-CG 3.62Å; F259-F313 HydrophobicContact CZ-CG 3.62Å; F259-F313 HydrophobicContact CZ-CZ 4.29Å; F259-F423 HydrophobicContact CB-CB 3.98Å; F259-F423 HydrophobicContact CB-CD1 4.15Å; F259-F423 HydrophobicContact CB-CD2 4.14Å; F259-F423 HydrophobicContact CB-CG 3.81Å; F259-F423 HydrophobicContact CD1-CD1 4.17Å; F259-F423 HydrophobicContact CD1-CE1 4.1Å; F259-F423 HydrophobicContact CD1-CZ 4.47Å; F259-F423 HydrophobicContact CG-CD1 4.37Å; F259-I426 HydrophobicContact CB-CD1 3.79Å; F259-I426 HydrophobicContact CD2-CD1 3.52Å; F259-I426 HydrophobicContact CD2-CG1 4.31Å; F259-I426 HydrophobicContact CE2-CD1 4.25Å; F259-I426 HydrophobicContact CG-CD1 3.76Å; F259-I426 HydrophobicContact CG-CG1 4.49Å
260V79.6Confident75.9Confident3 Ų351.9 Ų51.92%0.01826%0.263CS..Hα-helixtrans-58.7-51.5171.4168.80000109.4N256 M257 L262 W263 Q264 F352 F421 F423N256-V260 VanDerWaalsContact O-CB 3.28Å; N256-V260 WeakPolarHBondContact O-CB 3.49Å; N256-V260 WeakPolarHBondContact O-CG2 3.45Å; N256-V260 PolarHBondContact O-N 2.94Å; M257-V260 PolarHBondContact O-N 3.42Å; V260-L262 VanDerWaalsContact C-N 3.34Å; V260-L262 PolarHBondContact O-N 3.08Å; V260-W263 PolarHBondContact O-N 3.27Å; V260-Q264 WeakPolarHBondContact O-CG 3.19Å; V260-Q264 PolarHBondContact O-N 3.11Å; V260-F352 HydrophobicContact CB-CZ 4.36Å; V260-F352 HydrophobicContact CG1-CE2 3.34Å; V260-F352 HydrophobicContact CG1-CZ 3.43Å; V260-F352 VanDerWaalsContact CG1-CZ 3.43Å; V260-F352 WeakPolarHBondContact O-CZ 3.41Å; V260-F421 HydrophobicContact CG1-CB 4.19Å; V260-F421 HydrophobicContact CG2-CB 4.37Å; V260-F423 HydrophobicContact CG2-CB 4.36Å
261C79.1Confident77.8Confident49 Ų4956 Ų5633%0.33128%0.277SS..Hα-helixtrans-62.9-36.5176.2-72.20000113.5M257 A258 Q264 R265M257-C261 WeakPolarHBondContact O-CB 3.27Å; M257-C261 PolarHBondContact O-N 3.43Å; M257-C261 PolarHBondContact O-SG 3.36Å; A258-C261 PolarHBondContact O-N 3.02Å; C261-Q264 PolarHBondContact O-N 3.07Å; C261-R265 WeakPolarHBondContact O-CG 3.4Å; C261-R265 PolarHBondContact O-N 3.43Å
262L86.4Confident80.2Confident15 Ų1558.4 Ų58.48%0.07929%0.285CS..Hα-helixtrans-62.8-47.9173.7173.660.7000110.3A258 F259 V260 Q264 R265 I266 L303 L305 W307 L310 L314A258-L262 VanDerWaalsContact O-CB 3.3Å; A258-L262 WeakPolarHBondContact O-CB 3.26Å; A258-L262 PolarHBondContact O-N 3.01Å; F259-L262 HydrophobicContact CD1-CD2 4.39Å; F259-L262 PolarHBondContact O-N 2.95Å; V260-L262 VanDerWaalsContact C-N 3.34Å; V260-L262 PolarHBondContact O-N 3.08Å; L262-Q264 VanDerWaalsContact C-N 3.3Å; L262-Q264 PolarHBondContact O-N 3.09Å; L262-R265 WeakPolarHBondContact O-CB 3.39Å; L262-R265 PolarHBondContact O-N 3.12Å; L262-I266 HydrophobicContact CD1-CD1 3.96Å; L262-I266 HydrophobicContact CD1-CG1 4.27Å; L262-I266 HydrophobicContact CD2-CD1 4.43Å; L262-I266 HydrophobicContact CG-CD1 3.8Å; L262-I266 HydrophobicContact CG-CG1 4.49Å; L262-I266 WeakPolarHBondContact O-CG1 3.45Å; L262-I266 PolarHBondContact O-N 3.28Å; L262-L303 HydrophobicContact CD1-CD1 3.82Å; L262-L305 HydrophobicContact CD1-CD1 3.47Å; L262-L305 VanDerWaalsContact CD1-CD1 3.47Å; L262-W307 HydrophobicContact CD1-CH2 4.07Å; L262-W307 HydrophobicContact CD1-CZ3 4.21Å; L262-L310 HydrophobicContact CD2-CD1 3.86Å; L262-L310 HydrophobicContact CD2-CD2 4.15Å; L262-L314 HydrophobicContact CD2-CD1 4.48Å
263W86.5Confident82.4Confident8 Ų853.3 Ų53.33%0.0326%0.258CS..Hα-helixtrans-61.2-38.6179-171.9-118.8000112.1F259 V260 R265 I266 I267 L314 M330 F331 C335 F352 F423F259-W263 WeakPolarHBondContact O-CB 3.45Å; F259-W263 PolarHBondContact O-N 3.07Å; V260-W263 PolarHBondContact O-N 3.27Å; W263-R265 PolarHBondContact O-N 3.05Å; W263-I266 HydrophobicContact CE3-CB 4.05Å; W263-I266 HydrophobicContact CE3-CD1 4.17Å; W263-I266 HydrophobicContact CE3-CG2 4.04Å; W263-I266 HydrophobicContact CH2-CG2 4.42Å; W263-I266 HydrophobicContact CZ3-CB 4.23Å; W263-I266 HydrophobicContact CZ3-CG2 3.7Å; W263-I266 PolarHBondContact O-N 3.28Å; W263-I266 VanDerWaalsContact O-N 3.13Å; W263-I267 HydrophobicContact CH2-CD1 4.45Å; W263-I267 HydrophobicContact CZ2-CD1 3.75Å; W263-I267 WeakPolarHBondContact O-CB 3.49Å; W263-I267 WeakPolarHBondContact O-CG2 3.33Å; W263-I267 PolarHBondContact O-N 3.26Å; W263-L314 HydrophobicContact CE3-CD2 4.17Å; W263-L314 HydrophobicContact CZ3-CD2 4.41Å; W263-M330 HydrophobicContact CH2-CG 4.08Å; W263-M330 WeakPolarHBondContact CH2-O 3.42Å; W263-M330 HydrophobicContact CZ3-CG 3.9Å; W263-F331 AromaticContact CH2-CD1 3.76Å; W263-F331 HydrophobicContact CH2-CD1 3.76Å; W263-F331 AromaticContact CH2-CE1 3.92Å; W263-F331 HydrophobicContact CH2-CE1 3.92Å; W263-F331 HydrophobicContact CZ2-CD1 4.26Å; W263-C335 HydrophobicContact CD2-CB 3.92Å; W263-C335 VanDerWaalsContact CE2-CB 3.45Å; W263-C335 HydrophobicContact CG-CB 4.3Å; W263-C335 HydrophobicContact CH2-CB 4.41Å; W263-C335 HydrophobicContact CZ2-CB 3.73Å; W263-C335 WeakPolarHBondContact CZ2-SG 3.18Å; W263-F352 AromaticContact CD1-CE1 3.67Å; W263-F352 HydrophobicContact CG-CE1 4.46Å; W263-F423 HydrophobicContact CB-CD2 4.3Å; W263-F423 HydrophobicContact CB-CE2 3.88Å; W263-F423 HydrophobicContact CD2-CE2 4.3Å; W263-F423 HydrophobicContact CE3-CE2 4.5Å; W263-F423 HydrophobicContact CG-CE2 4.01Å
264Q78.6Confident83.9Confident36 Ų3654.3 Ų54.317%0.16826%0.263CS..Hα-helixtrans-56.7-36.8172.9-70.9172.1-13.500112.9V260 C261 L262 R268 F352V260-Q264 WeakPolarHBondContact O-CG 3.19Å; V260-Q264 PolarHBondContact O-N 3.11Å; C261-Q264 PolarHBondContact O-N 3.07Å; L262-Q264 VanDerWaalsContact C-N 3.3Å; L262-Q264 PolarHBondContact O-N 3.09Å; Q264-R268 WeakPolarHBondContact O-CD 3.4Å; Q264-R268 VanDerWaalsContact O-CG 3.26Å; Q264-R268 WeakPolarHBondContact O-CG 3.48Å; Q264-F352 HydrophobicContact CB-CE1 4.33Å; Q264-F352 HydrophobicContact CB-CZ 4.46Å; Q264-F352 HydrophobicContact CG-CD1 4.27Å; Q264-F352 HydrophobicContact CG-CE1 3.32Å; Q264-F352 HydrophobicContact CG-CE2 3.98Å; Q264-F352 HydrophobicContact CG-CZ 3.18Å
265R85.1Confident85.4Confident140 Ų14056 Ų5653%0.52826%0.264SS..Hα-helixtrans-75.8-39.1178.6-66.9168.1174.6171-0.1110.6C261 L262 W263 H269 L303C261-R265 WeakPolarHBondContact O-CG 3.4Å; C261-R265 PolarHBondContact O-N 3.43Å; L262-R265 WeakPolarHBondContact O-CB 3.39Å; L262-R265 PolarHBondContact O-N 3.12Å; W263-R265 PolarHBondContact O-N 3.05Å; R265-H269 PolarHBondContact O-CD2 2.76Å; R265-L303 HydrophobicContact CB-CD1 3.96Å
266I89.8Confident86.8Confident0 Ų056.4 Ų56.40%027%0.268CS..Hα-helixtrans-67.2-50178.8-65168.4000111.4L262 W263 R268 H269 L273 M297 T301 W307 L314 M330 F331L262-I266 HydrophobicContact CD1-CD1 3.96Å; L262-I266 HydrophobicContact CD1-CG1 4.27Å; L262-I266 HydrophobicContact CD2-CD1 4.43Å; L262-I266 HydrophobicContact CG-CD1 3.8Å; L262-I266 HydrophobicContact CG-CG1 4.49Å; L262-I266 WeakPolarHBondContact O-CG1 3.45Å; L262-I266 PolarHBondContact O-N 3.28Å; W263-I266 HydrophobicContact CE3-CB 4.05Å; W263-I266 HydrophobicContact CE3-CD1 4.17Å; W263-I266 HydrophobicContact CE3-CG2 4.04Å; W263-I266 HydrophobicContact CH2-CG2 4.42Å; W263-I266 HydrophobicContact CZ3-CB 4.23Å; W263-I266 HydrophobicContact CZ3-CG2 3.7Å; W263-I266 PolarHBondContact O-N 3.28Å; W263-I266 VanDerWaalsContact O-N 3.13Å; I266-R268 PolarHBondContact O-N 3.33Å; I266-H269 PolarHBondContact O-N 3.33Å; I266-L273 HydrophobicContact CG2-CD1 3.89Å; I266-M297 HydrophobicContact CD1-CE 3.84Å; I266-M297 HydrophobicContact CG1-CE 3.93Å; I266-M297 HydrophobicContact CG2-CE 4.16Å; I266-T301 HydrophobicContact CG1-CG2 4.48Å; I266-W307 HydrophobicContact CD1-CH2 4.46Å; I266-W307 HydrophobicContact CD1-CZ3 4.08Å; I266-W307 HydrophobicContact CG1-CH2 4.42Å; I266-W307 HydrophobicContact CG1-CZ3 4.49Å; I266-L314 HydrophobicContact CD1-CD1 3.82Å; I266-L314 HydrophobicContact CD1-CD2 3.87Å; I266-M330 HydrophobicContact CG2-CE 4.03Å; I266-M330 HydrophobicContact CG2-SD 4.34Å; I266-F331 HydrophobicContact CG2-CE1 4.46Å
267I85.9Confident87.8Confident23 Ų2356.1 Ų56.112%0.11827%0.266CS..Hα-helixtrans-62.9-31-172.4-163.566.6000112.7W263 H269 K270 F331 E353W263-I267 HydrophobicContact CH2-CD1 4.45Å; W263-I267 HydrophobicContact CZ2-CD1 3.75Å; W263-I267 WeakPolarHBondContact O-CB 3.49Å; W263-I267 WeakPolarHBondContact O-CG2 3.33Å; W263-I267 PolarHBondContact O-N 3.26Å; I267-H269 PolarHBondContact O-N 2.76Å; I267-H269 VanDerWaalsContact O-N 3.16Å; I267-K270 HydrophobicContact CD1-CB 4.36Å; I267-K270 HydrophobicContact CD1-CD 4.04Å; I267-K270 VanDerWaalsContact O-CB 3.24Å; I267-K270 WeakPolarHBondContact O-CB 3.4Å; I267-K270 PolarHBondContact O-N 3.09Å; I267-F331 HydrophobicContact CD1-CD1 4.08Å; I267-F331 HydrophobicContact CD1-CE1 4.22Å; I267-E353 HydrophobicContact CG1-CG 4.19Å; I267-E353 HydrophobicContact CG2-CG 4.48Å
268R83.7Confident88.9Confident165 Ų16556 Ų5662%0.62327%0.271SS*.THydrogen-bonded Turntrans-61.1-21.9174-73.2174.4-172.2-165.44113.6Q264 I266 P356Q264-R268 WeakPolarHBondContact O-CD 3.4Å; Q264-R268 VanDerWaalsContact O-CG 3.26Å; Q264-R268 WeakPolarHBondContact O-CG 3.48Å; I266-R268 PolarHBondContact O-N 3.33Å; R268-P356 VanDerWaalsContact NH2-CG 3.28Å
269H90.9Very high89.5Confident63 Ų6359.3 Ų59.329%0.29228%0.277SS..THydrogen-bonded Turntrans-107.212.7178.9-60-65000112.6R265 I266 I267 E271 K272 L273 V300R265-H269 PolarHBondContact O-CD2 2.76Å; I266-H269 PolarHBondContact O-N 3.33Å; I267-H269 PolarHBondContact O-N 2.76Å; I267-H269 VanDerWaalsContact O-N 3.16Å; H269-E271 VanDerWaalsContact C-N 3.34Å; H269-E271 PolarHBondContact O-N 3.06Å; H269-K272 PolarHBondContact O-N 3.12Å; H269-L273 HydrophobicContact CB-CD1 4.11Å; H269-L273 HydrophobicContact CB-CG 4.16Å; H269-L273 WeakPolarHBondContact O-CB 3.39Å; H269-L273 VanDerWaalsContact O-CG 3.3Å; H269-L273 WeakPolarHBondContact O-CG 3.31Å; H269-L273 PolarHBondContact O-N 2.9Å; H269-V300 HydrophobicContact CB-CG1 3.74Å
270K90.6Very high89.7Confident81 Ų8161.9 Ų61.935%0.35229%0.291SS..Hα-helixtrans-48.9-51.2-175.5175.1177.9177.8-177.90113.2I267 L273 L274 F331I267-K270 HydrophobicContact CD1-CB 4.36Å; I267-K270 HydrophobicContact CD1-CD 4.04Å; I267-K270 VanDerWaalsContact O-CB 3.24Å; I267-K270 WeakPolarHBondContact O-CB 3.4Å; I267-K270 PolarHBondContact O-N 3.09Å; K270-L273 PolarHBondContact O-N 3.35Å; K270-L274 HydrophobicContact CG-CD1 3.97Å; K270-L274 WeakPolarHBondContact O-CB 3.23Å; K270-L274 WeakPolarHBondContact O-CG 3.46Å; K270-L274 PolarHBondContact O-N 2.88Å; K270-F331 HydrophobicContact CB-CD1 4.41Å; K270-F331 HydrophobicContact CB-CE1 3.84Å; K270-F331 HydrophobicContact CB-CZ 4.08Å; K270-F331 HydrophobicContact CD-CD1 3.95Å; K270-F331 HydrophobicContact CD-CE1 4.24Å; K270-F331 HydrophobicContact CD-CG 4.32Å; K270-F331 HydrophobicContact CG-CD1 3.85Å; K270-F331 HydrophobicContact CG-CD2 4.43Å; K270-F331 HydrophobicContact CG-CE1 3.7Å; K270-F331 HydrophobicContact CG-CE2 4.27Å; K270-F331 HydrophobicContact CG-CG 4.2Å; K270-F331 HydrophobicContact CG-CZ 3.89Å
271E91.9Very high90.2Very high170 Ų17062.2 Ų62.279%0.79429%0.293SS*.Hα-helixtrans-61.6-49.7-177.7-65.8-179171.100111.4H269 L273 L274 E275H269-E271 VanDerWaalsContact C-N 3.34Å; H269-E271 PolarHBondContact O-N 3.06Å; E271-L273 VanDerWaalsContact C-N 3.35Å; E271-L273 PolarHBondContact O-N 2.86Å; E271-L274 PolarHBondContact O-N 3.44Å; E271-E275 WeakPolarHBondContact O-CB 3.41Å; E271-E275 PolarHBondContact O-N 3.41Å
272K96.8Very high90.4Very high103 Ų10367 Ų6745%0.44831%0.314SS..Hα-helixtrans-64.3-37.3178.4-172.8172.3178.7-174.70112.8H269 E275 C276 V300H269-K272 PolarHBondContact O-N 3.12Å; K272-E275 PolarHBondContact O-N 3.37Å; K272-C276 PolarHBondContact O-N 3.19Å; K272-C276 PolarHBondContact O-SG 3.43Å; K272-C276 VanDerWaalsContact O-SG 3.32Å; K272-V300 HydrophobicContact CB-CG1 4.13Å; K272-V300 HydrophobicContact CD-CG1 3.99Å; K272-V300 HydrophobicContact CG-CG1 3.89Å; K272-V300 HydrophobicContact CG-CG2 4.35Å
273L97.3Very high90.4Very high0 Ų074.1 Ų74.10%035%0.346CS..Hα-helixtrans-62.9-49.8175.2-76.2168.7000110.6I266 H269 K270 E271 E275 C276 F277 V296 M297 V300 M330 F331I266-L273 HydrophobicContact CG2-CD1 3.89Å; H269-L273 HydrophobicContact CB-CD1 4.11Å; H269-L273 HydrophobicContact CB-CG 4.16Å; H269-L273 WeakPolarHBondContact O-CB 3.39Å; H269-L273 VanDerWaalsContact O-CG 3.3Å; H269-L273 WeakPolarHBondContact O-CG 3.31Å; H269-L273 PolarHBondContact O-N 2.9Å; K270-L273 PolarHBondContact O-N 3.35Å; E271-L273 VanDerWaalsContact C-N 3.35Å; E271-L273 PolarHBondContact O-N 2.86Å; L273-E275 VanDerWaalsContact C-N 3.31Å; L273-E275 PolarHBondContact O-N 3.28Å; L273-C276 PolarHBondContact O-N 2.94Å; L273-F277 HydrophobicContact CB-CD2 4.41Å; L273-F277 HydrophobicContact CB-CE2 3.89Å; L273-F277 HydrophobicContact CB-CZ 4.38Å; L273-F277 HydrophobicContact CD2-CE2 4.46Å; L273-F277 HydrophobicContact CD2-CZ 4.11Å; L273-F277 WeakPolarHBondContact O-CB 3.11Å; L273-F277 WeakPolarHBondContact O-CD2 3.44Å; L273-F277 WeakPolarHBondContact O-CG 3.33Å; L273-F277 PolarHBondContact O-N 2.99Å; L273-V296 HydrophobicContact CD2-CG1 4Å; L273-M297 HydrophobicContact CD1-SD 4.19Å; L273-M297 HydrophobicContact CD2-SD 3.71Å; L273-V300 HydrophobicContact CD2-CB 3.64Å; L273-V300 HydrophobicContact CD2-CG1 3.64Å; L273-V300 HydrophobicContact CD2-CG2 4.14Å; L273-V300 HydrophobicContact CG-CB 4.3Å; L273-V300 HydrophobicContact CG-CG1 3.72Å; L273-M330 HydrophobicContact CD1-CE 3.96Å; L273-F331 HydrophobicContact CB-CZ 4.26Å; L273-F331 HydrophobicContact CD1-CZ 4Å
274L96.2Very high90.5Very high45 Ų4580 Ų8024%0.23638%0.378CS..Hα-helixtrans-62.7-37.6178.3-72.8172.8000112.3K270 E271 F277 S278 Y327 F331K270-L274 HydrophobicContact CG-CD1 3.97Å; K270-L274 WeakPolarHBondContact O-CB 3.23Å; K270-L274 WeakPolarHBondContact O-CG 3.46Å; K270-L274 PolarHBondContact O-N 2.88Å; E271-L274 PolarHBondContact O-N 3.44Å; L274-F277 PolarHBondContact O-N 2.8Å; L274-S278 WeakPolarHBondContact O-CB 3.4Å; L274-S278 PolarHBondContact O-N 3Å; L274-S278 PolarHBondContact O-OG 3.41Å; L274-Y327 HydrophobicContact CD2-CD2 4.18Å; L274-Y327 HydrophobicContact CD2-CE2 4.24Å; L274-F331 HydrophobicContact CD1-CD2 4.29Å; L274-F331 HydrophobicContact CD1-CE2 4.43Å; L274-F331 HydrophobicContact CD2-CD2 3.78Å; L274-F331 HydrophobicContact CD2-CE2 3.84Å; L274-F331 HydrophobicContact CG-CD2 4.05Å; L274-F331 HydrophobicContact CG-CE2 3.84Å
275E96.5Very high91.1Very high110 Ų11081.5 Ų81.551%0.51439%0.393SS..Hα-helixtrans-62.1-48.9173.1-174.3-170.8173.900111.9E271 K272 L273 F277 S278 Q279E271-E275 WeakPolarHBondContact O-CB 3.41Å; E271-E275 PolarHBondContact O-N 3.41Å; K272-E275 PolarHBondContact O-N 3.37Å; L273-E275 VanDerWaalsContact C-N 3.31Å; L273-E275 PolarHBondContact O-N 3.28Å; E275-F277 VanDerWaalsContact C-N 3.35Å; E275-F277 PolarHBondContact O-N 3.02Å; E275-S278 PolarHBondContact O-N 3.05Å; E275-S278 PolarHBondContact O-OG 2.82Å; E275-Q279 VanDerWaalsContact O-CG 3.28Å; E275-Q279 WeakPolarHBondContact O-CG 3.2Å; E275-Q279 PolarHBondContact O-N 3.03Å; E275-Q279 VanDerWaalsContact O-N 3.09Å
276C97.6Very high91.5Very high28 Ų2875.4 Ų75.419%0.18937%0.373CS..Hα-helixtrans-65.1-38177.8-69.70000112.3K272 L273 L280 V296 V300K272-C276 PolarHBondContact O-N 3.19Å; K272-C276 PolarHBondContact O-SG 3.43Å; K272-C276 VanDerWaalsContact O-SG 3.32Å; L273-C276 PolarHBondContact O-N 2.94Å; C276-L280 WeakPolarHBondContact O-CG 3.27Å; C276-L280 PolarHBondContact O-N 3.45Å; C276-V296 HydrophobicContact CB-CG1 3.54Å; C276-V296 HydrophobicContact CB-CG2 4.14Å; C276-V300 HydrophobicContact CB-CG2 4.38Å
277F97.3Very high91.6Very high0 Ų077.6 Ų77.60%038%0.384CS..Hα-helixtrans-66-43.7176.2-62.1-37.9000111.9L273 L274 E275 Q279 L280 D281 I288 W293 V296 M297 Y327 M330L273-F277 HydrophobicContact CB-CD2 4.41Å; L273-F277 HydrophobicContact CB-CE2 3.89Å; L273-F277 HydrophobicContact CB-CZ 4.38Å; L273-F277 HydrophobicContact CD2-CE2 4.46Å; L273-F277 HydrophobicContact CD2-CZ 4.11Å; L273-F277 WeakPolarHBondContact O-CB 3.11Å; L273-F277 WeakPolarHBondContact O-CD2 3.44Å; L273-F277 WeakPolarHBondContact O-CG 3.33Å; L273-F277 PolarHBondContact O-N 2.99Å; L274-F277 PolarHBondContact O-N 2.8Å; E275-F277 VanDerWaalsContact C-N 3.35Å; E275-F277 PolarHBondContact O-N 3.02Å; F277-Q279 VanDerWaalsContact C-N 3.29Å; F277-Q279 PolarHBondContact O-N 2.87Å; F277-L280 PolarHBondContact O-N 2.88Å; F277-L280 VanDerWaalsContact O-N 3.1Å; F277-D281 PolarHBondContact O-N 2.91Å; F277-I288 HydrophobicContact CB-CD1 4.26Å; F277-I288 HydrophobicContact CD1-CD1 3.35Å; F277-I288 HydrophobicContact CE1-CD1 3.92Å; F277-I288 HydrophobicContact CG-CD1 4.02Å; F277-W293 AromaticContact CE1-CD1 3.52Å; F277-W293 HydrophobicContact CE1-CG 4.23Å; F277-W293 AromaticContact CZ-CD1 3.49Å; F277-W293 VanDerWaalsContact CZ-CD1 3.49Å; F277-W293 HydrophobicContact CZ-CG 4.45Å; F277-W293 AromaticContact CZ-NE1 3.61Å; F277-V296 HydrophobicContact CD1-CB 4Å; F277-V296 HydrophobicContact CD1-CG1 3.64Å; F277-V296 HydrophobicContact CD1-CG2 4.25Å; F277-V296 HydrophobicContact CE1-CB 3.6Å; F277-V296 HydrophobicContact CE1-CG1 3.32Å; F277-V296 HydrophobicContact CE1-CG2 4.33Å; F277-V296 HydrophobicContact CZ-CG1 4Å; F277-M297 HydrophobicContact CZ-CG 4.39Å; F277-M297 HydrophobicContact CZ-SD 4.05Å; F277-Y327 HydrophobicContact CB-CD1 4.17Å; F277-Y327 HydrophobicContact CB-CD2 3.58Å; F277-Y327 HydrophobicContact CB-CE1 4.4Å; F277-Y327 HydrophobicContact CB-CE2 3.86Å; F277-Y327 HydrophobicContact CB-CG 3.75Å; F277-Y327 AromaticContact CD2-CD2 3.73Å; F277-Y327 HydrophobicContact CD2-CD2 3.73Å; F277-Y327 HydrophobicContact CD2-CG 4.04Å; F277-Y327 AromaticContact CG-CD2 3.97Å; F277-Y327 HydrophobicContact CG-CD2 3.97Å; F277-Y327 HydrophobicContact CG-CG 4.01Å; F277-M330 HydrophobicContact CE2-CE 3.97Å; F277-M330 HydrophobicContact CZ-CE 4.32Å
278S94.2Very high91.9Very high57 Ų5777 Ų7740%0.39938%0.381SS..Hα-helixtrans-67-30179.867.60000112.9L274 E275 L280 D281L274-S278 WeakPolarHBondContact O-CB 3.4Å; L274-S278 PolarHBondContact O-N 3Å; L274-S278 PolarHBondContact O-OG 3.41Å; E275-S278 PolarHBondContact O-N 3.05Å; E275-S278 PolarHBondContact O-OG 2.82Å; S278-L280 VanDerWaalsContact C-N 3.26Å; S278-L280 PolarHBondContact O-N 3.11Å; S278-D281 PolarHBondContact O-N 3.05Å
279Q91.6Very high92.2Very high127 Ų12771 Ų7159%0.59336%0.364SS*.Hα-helixtrans-65.4-28.7172.4-73.91725.900113.1E275 F277E275-Q279 VanDerWaalsContact O-CG 3.28Å; E275-Q279 WeakPolarHBondContact O-CG 3.2Å; E275-Q279 PolarHBondContact O-N 3.03Å; E275-Q279 VanDerWaalsContact O-N 3.09Å; F277-Q279 VanDerWaalsContact C-N 3.29Å; F277-Q279 PolarHBondContact O-N 2.87Å
280L89.2Confident92Very high77 Ų7768.7 Ų68.740%0.40335%0.354SS..Hα-helixtrans-89.4-24177.7-63.5173.5000112.4C276 F277 S278 I282 I288 D292 V296C276-L280 WeakPolarHBondContact O-CG 3.27Å; C276-L280 PolarHBondContact O-N 3.45Å; F277-L280 PolarHBondContact O-N 2.88Å; F277-L280 VanDerWaalsContact O-N 3.1Å; S278-L280 VanDerWaalsContact C-N 3.26Å; S278-L280 PolarHBondContact O-N 3.11Å; L280-I282 PolarHBondContact O-N 2.96Å; L280-I288 HydrophobicContact CB-CG2 4.25Å; L280-D292 HydrophobicContact CD1-CB 3.93Å; L280-V296 HydrophobicContact CD1-CG2 3.57Å
281D90.2Very high91.6Very high10 Ų1068.1 Ų68.15%0.05336%0.357CS..  trans-86.774.2175.6-176.112.6000111.8F277 S278 H283 N284 S285 G286 I288 Y327F277-D281 PolarHBondContact O-N 2.91Å; S278-D281 PolarHBondContact O-N 3.05Å; D281-H283 PolarHBondContact O-N 3.2Å; D281-N284 PolarHBondContact O-N 3.27Å; D281-N284 PolarHBondContact OD1-N 2.88Å; D281-N284 VanDerWaalsContact OD1-N 3.16Å; D281-N284 VanDerWaalsContact OD2-C 3.29Å; D281-N284 WeakPolarHBondContact OD2-CA 3.36Å; D281-S285 VanDerWaalsContact CG-N 3.28Å; D281-S285 PolarHBondContact OD1-N 2.86Å; D281-S285 PolarHBondContact OD1-OG 2.83Å; D281-S285 PolarHBondContact OD2-N 3.49Å; D281-G286 WeakPolarHBondContact OD2-CA 3.47Å; D281-G286 PolarHBondContact OD2-N 2.83Å; D281-I288 HydrophobicContact CB-CG2 3.88Å; D281-Y327 HydrophobicContact CB-CE1 3.96Å; D281-Y327 WeakPolarHBondContact OD2-CE1 3.13Å; D281-Y327 PolarHBondContact OD2-OH 3.35Å
282I82.4Confident91.6Very high149 Ų14963 Ų6376%0.76434%0.336SS*.THydrogen-bonded Turntrans-54.8-29.6-176.5-59.3166.9000112.6L280L280-I282 PolarHBondContact O-N 2.96Å
283H85.5Confident91.4Very high165 Ų16558.1 Ų58.176%0.76432%0.315SS*.THydrogen-bonded Turntrans-95.70.9-178.1-60.4-56.4000113.6D281 S285D281-H283 PolarHBondContact O-N 3.2Å; H283-S285 PolarHBondContact O-N 3.12Å
284N89.4Confident91.1Very high131 Ų13158.7 Ų58.770%0.70132%0.318SS*.  trans49.241.1-175.1-166.544.7000112.4D281 G286D281-N284 PolarHBondContact O-N 3.27Å; D281-N284 PolarHBondContact OD1-N 2.88Å; D281-N284 VanDerWaalsContact OD1-N 3.16Å; D281-N284 VanDerWaalsContact OD2-C 3.29Å; D281-N284 WeakPolarHBondContact OD2-CA 3.36Å; N284-G286 VanDerWaalsContact C-N 3.33Å
285S91.2Very high90.8Very high68 Ų6861.1 Ų61.148%0.47633%0.331SS..  trans-78.7-16.6-17863.60000113.3D281 H283 I287D281-S285 VanDerWaalsContact CG-N 3.28Å; D281-S285 PolarHBondContact OD1-N 2.86Å; D281-S285 PolarHBondContact OD1-OG 2.83Å; D281-S285 PolarHBondContact OD2-N 3.49Å; H283-S285 PolarHBondContact O-N 3.12Å; S285-I287 VanDerWaalsContact C-N 3.29Å; S285-I287 PolarHBondContact OG-N 3.39Å; S285-I287 VanDerWaalsContact OG-N 3.14Å; S285-I287 PolarHBondContact OG-O 3.44Å
286G93.3Very high90.7Very high11 Ų1156.4 Ų56.411%0.11331%0.31CS..SBendtrans79.39.1-166.900000113.8D281 N284 A326 Y327D281-G286 WeakPolarHBondContact OD2-CA 3.47Å; D281-G286 PolarHBondContact OD2-N 2.83Å; N284-G286 VanDerWaalsContact C-N 3.33Å; G286-A326 CarbonylContact O-C 3.58Å; G286-A326 WeakPolarHBondContact O-CA 3.4Å; G286-Y327 VanDerWaalsContact C-CD1 3.47Å; G286-Y327 VanDerWaalsContact CA-CE1 3.47Å; G286-Y327 WeakPolarHBondContact O-CD1 3.06Å; G286-Y327 WeakPolarHBondContact O-CE1 3.1Å; G286-Y327 PolarHBondContact O-N 3.5Å
287I92.8Very high90.7Very high47 Ų4755 Ų5524%0.24130%0.301CS..EExtended strand (participates in β ladder)trans-126.1134.9-171.8-56.5174.5000110.4S285 Q324 V325S285-I287 VanDerWaalsContact C-N 3.29Å; S285-I287 PolarHBondContact OG-N 3.39Å; S285-I287 VanDerWaalsContact OG-N 3.14Å; S285-I287 PolarHBondContact OG-O 3.44Å; I287-Q324 HydrophobicContact CG2-CB 3.74Å; I287-Q324 HydrophobicContact CG2-CG 4.36Å; I287-V325 WeakPolarHBondContact CA-O 3.36Å
288I91.8Very high90.5Very high10 Ų1057 Ų575%0.05132%0.317CS..EExtended strand (participates in β ladder)trans-135.5166.6172.361.8175.7000110.7F277 L280 D281 W293 Q324 V325 Y327F277-I288 HydrophobicContact CB-CD1 4.26Å; F277-I288 HydrophobicContact CD1-CD1 3.35Å; F277-I288 HydrophobicContact CE1-CD1 3.92Å; F277-I288 HydrophobicContact CG-CD1 4.02Å; L280-I288 HydrophobicContact CB-CG2 4.25Å; D281-I288 HydrophobicContact CB-CG2 3.88Å; I288-W293 HydrophobicContact CD1-CB 3.86Å; I288-W293 HydrophobicContact CD1-CG 4.49Å; I288-W293 HydrophobicContact CG1-CB 4.27Å; I288-Q324 CarbonylContact O-C 3.54Å; I288-Q324 VanDerWaalsContact O-CA 3.31Å; I288-Q324 WeakPolarHBondContact O-CA 3.37Å; I288-V325 HydrophobicContact CD1-CG2 4.5Å; I288-V325 HydrophobicContact CG1-CG2 3.77Å; I288-V325 PolarHBondContact N-O 3.25Å; I288-V325 VanDerWaalsContact N-O 3.12Å; I288-V325 PolarHBondContact O-N 3.2Å; I288-Y327 HydrophobicContact CB-CD1 4.49Å; I288-Y327 HydrophobicContact CD1-CD1 4.39Å; I288-Y327 HydrophobicContact CG1-CD1 4.09Å; I288-Y327 HydrophobicContact CG2-CD1 3.89Å; I288-Y327 HydrophobicContact CG2-CE1 4.11Å
289S89.5Confident90.4Very high38 Ų3857.3 Ų57.327%0.26632%0.32SS..EExtended strand (participates in β ladder)trans-66148.6174.2900000111.3T291 D292 W293S289-T291 PolarHBondContact O-N 3.39Å; S289-D292 WeakPolarHBondContact CB-OD2 3.47Å; S289-D292 PolarHBondContact O-N 3.24Å; S289-D292 WeakPolarHBondContact OG-CB 3.3Å; S289-D292 PolarHBondContact OG-N 2.82Å; S289-D292 PolarHBondContact OG-OD2 2.65Å; S289-W293 PolarHBondContact O-N 3.32Å
290L86.5Confident90.7Very high16 Ų1651.4 Ų51.48%0.08429%0.292CS..Hα-helixtrans-62.7-31.6176.6174.857.4000111.9W293 C294 R308 R311 D323 V325L290-W293 HydrophobicContact CD1-CE3 4.18Å; L290-C294 PolarHBondContact O-N 3.39Å; L290-C294 PolarHBondContact O-SG 3.3Å; L290-R308 HydrophobicContact CD2-CG 4.3Å; L290-R311 HydrophobicContact CD1-CB 4.29Å; L290-R311 HydrophobicContact CD1-CG 3.61Å; L290-D323 VanDerWaalsContact CB-O 3.23Å; L290-D323 WeakPolarHBondContact CB-O 3.3Å; L290-D323 PolarHBondContact N-O 2.97Å; L290-V325 HydrophobicContact CB-CG1 4.43Å; L290-V325 HydrophobicContact CD1-CG1 3.85Å
291T83.5Confident90.9Very high68 Ų6848.2 Ų48.242%0.41728%0.276SS..Hα-helixtrans-67.9-49.3177.3-62.40000110.5S289 W293 C294 D295 R308S289-T291 PolarHBondContact O-N 3.39Å; T291-W293 VanDerWaalsContact C-N 3.28Å; T291-W293 PolarHBondContact O-N 3.45Å; T291-C294 WeakPolarHBondContact O-CB 3.28Å; T291-C294 PolarHBondContact O-N 2.97Å; T291-D295 PolarHBondContact O-N 3.43Å; T291-R308 PolarHBondContact OG1-NH2 2.85Å
292D90.3Very high91Very high64 Ų6454.5 Ų54.534%0.34230%0.304SS..Hα-helixtrans-58.5-42.4176.1-66.8-36.9000111.7L280 S289 C294 D295 V296L280-D292 HydrophobicContact CD1-CB 3.93Å; S289-D292 WeakPolarHBondContact CB-OD2 3.47Å; S289-D292 PolarHBondContact O-N 3.24Å; S289-D292 WeakPolarHBondContact OG-CB 3.3Å; S289-D292 PolarHBondContact OG-N 2.82Å; S289-D292 PolarHBondContact OG-OD2 2.65Å; D292-C294 VanDerWaalsContact C-N 3.34Å; D292-C294 PolarHBondContact O-N 3.14Å; D292-D295 PolarHBondContact O-N 2.81Å; D292-V296 WeakPolarHBondContact O-CG2 3.46Å; D292-V296 PolarHBondContact O-N 3.3Å
293W94.2Very high91.3Very high0 Ų049 Ų490%028%0.276CS..Hα-helixtrans-59.3-43.9174.6-177.487.8000112F277 I288 S289 L290 T291 D295 M297 W307 R311 L314 V315 V325 M330F277-W293 AromaticContact CE1-CD1 3.52Å; F277-W293 HydrophobicContact CE1-CG 4.23Å; F277-W293 AromaticContact CZ-CD1 3.49Å; F277-W293 VanDerWaalsContact CZ-CD1 3.49Å; F277-W293 HydrophobicContact CZ-CG 4.45Å; F277-W293 AromaticContact CZ-NE1 3.61Å; I288-W293 HydrophobicContact CD1-CB 3.86Å; I288-W293 HydrophobicContact CD1-CG 4.49Å; I288-W293 HydrophobicContact CG1-CB 4.27Å; S289-W293 PolarHBondContact O-N 3.32Å; L290-W293 HydrophobicContact CD1-CE3 4.18Å; T291-W293 VanDerWaalsContact C-N 3.28Å; T291-W293 PolarHBondContact O-N 3.45Å; W293-D295 VanDerWaalsContact C-N 3.33Å; W293-D295 PolarHBondContact O-N 2.72Å; W293-M297 HydrophobicContact CD2-CG 3.86Å; W293-M297 HydrophobicContact CE3-CG 4.15Å; W293-M297 HydrophobicContact CG-CG 4.46Å; W293-M297 HydrophobicContact CH2-CE 4.48Å; W293-M297 HydrophobicContact CH2-CG 3.99Å; W293-M297 HydrophobicContact CZ2-CE 4.15Å; W293-M297 HydrophobicContact CZ2-CG 3.68Å; W293-M297 HydrophobicContact CZ2-SD 4.04Å; W293-M297 HydrophobicContact CZ3-CG 4.21Å; W293-M297 WeakPolarHBondContact O-CB 3.37Å; W293-M297 WeakPolarHBondContact O-CG 3.36Å; W293-M297 PolarHBondContact O-N 3.39Å; W293-W307 HydrophobicContact CH2-CE3 4.5Å; W293-W307 HydrophobicContact CZ3-CB 3.88Å; W293-W307 WeakPolarHBondContact CZ3-O 3.37Å; W293-R311 HydrophobicContact CH2-CB 4.27Å; W293-R311 HydrophobicContact CZ3-CB 3.92Å; W293-R311 HydrophobicContact CZ3-CG 4.35Å; W293-L314 HydrophobicContact CH2-CB 4.33Å; W293-L314 HydrophobicContact CH2-CD1 4.19Å; W293-L314 HydrophobicContact CZ2-CB 4.27Å; W293-V315 HydrophobicContact CD2-CG1 4.1Å; W293-V315 HydrophobicContact CH2-CG1 4.05Å; W293-V315 HydrophobicContact CZ2-CB 4.09Å; W293-V315 HydrophobicContact CZ2-CG1 3.58Å; W293-V315 HydrophobicContact CZ3-CG1 4.48Å; W293-V325 HydrophobicContact CB-CG2 3.61Å; W293-V325 HydrophobicContact CG-CG2 3.71Å; W293-M330 HydrophobicContact CZ2-SD 3.86Å
294C89.6Confident91.3Very high11 Ų1151.4 Ų51.47%0.07429%0.285CS..Hα-helixtrans-62.2-41.2177-68.50000112L290 T291 D292 M297 A298 W307L290-C294 PolarHBondContact O-N 3.39Å; L290-C294 PolarHBondContact O-SG 3.3Å; T291-C294 WeakPolarHBondContact O-CB 3.28Å; T291-C294 PolarHBondContact O-N 2.97Å; D292-C294 VanDerWaalsContact C-N 3.34Å; D292-C294 PolarHBondContact O-N 3.14Å; C294-M297 PolarHBondContact O-N 2.89Å; C294-A298 WeakPolarHBondContact O-CB 3.45Å; C294-A298 PolarHBondContact O-N 3.18Å; C294-W307 HydrophobicContact CB-CB 4.07Å
295D89.4Confident91.2Very high96 Ų9648.8 Ų48.851%0.51327%0.27SS..Hα-helixtrans-71.2-41.2-177.5-68.2-18.1000111.7T291 D292 W293 A298 S299T291-D295 PolarHBondContact O-N 3.43Å; D292-D295 PolarHBondContact O-N 2.81Å; W293-D295 VanDerWaalsContact C-N 3.33Å; W293-D295 PolarHBondContact O-N 2.72Å; D295-A298 PolarHBondContact O-N 3.21Å; D295-S299 VanDerWaalsContact O-CB 3.3Å; D295-S299 WeakPolarHBondContact O-CB 3.21Å; D295-S299 PolarHBondContact O-N 3.32Å; D295-S299 PolarHBondContact O-OG 2.88Å
296V95.6Very high90.9Very high11 Ų1148.6 Ų48.67%0.06727%0.269CS..Hα-helixtrans-63.6-44.8172.4171.60000110.7L273 C276 F277 L280 D292 A298 S299 V300L273-V296 HydrophobicContact CD2-CG1 4Å; C276-V296 HydrophobicContact CB-CG1 3.54Å; C276-V296 HydrophobicContact CB-CG2 4.14Å; F277-V296 HydrophobicContact CD1-CB 4Å; F277-V296 HydrophobicContact CD1-CG1 3.64Å; F277-V296 HydrophobicContact CD1-CG2 4.25Å; F277-V296 HydrophobicContact CE1-CB 3.6Å; F277-V296 HydrophobicContact CE1-CG1 3.32Å; F277-V296 HydrophobicContact CE1-CG2 4.33Å; F277-V296 HydrophobicContact CZ-CG1 4Å; L280-V296 HydrophobicContact CD1-CG2 3.57Å; D292-V296 WeakPolarHBondContact O-CG2 3.46Å; D292-V296 PolarHBondContact O-N 3.3Å; V296-A298 VanDerWaalsContact C-N 3.33Å; V296-A298 PolarHBondContact O-N 3.16Å; V296-S299 WeakPolarHBondContact CA-OG 3.35Å; V296-S299 PolarHBondContact O-N 3.35Å; V296-S299 PolarHBondContact O-OG 2.59Å; V296-S299 VanDerWaalsContact O-OG 3.12Å; V296-V300 HydrophobicContact CG1-CG2 3.92Å; V296-V300 VanDerWaalsContact O-CB 3.27Å; V296-V300 WeakPolarHBondContact O-CB 3.25Å; V296-V300 WeakPolarHBondContact O-CG2 3.37Å; V296-V300 PolarHBondContact O-N 3.4Å
297M96.6Very high90.7Very high0 Ų048.4 Ų48.40%027%0.265CS..Hα-helixtrans-60.1-43.9176.9-72.2-64.5-68.700111.6I266 L273 F277 W293 C294 T301 W307 M330I266-M297 HydrophobicContact CD1-CE 3.84Å; I266-M297 HydrophobicContact CG1-CE 3.93Å; I266-M297 HydrophobicContact CG2-CE 4.16Å; L273-M297 HydrophobicContact CD1-SD 4.19Å; L273-M297 HydrophobicContact CD2-SD 3.71Å; F277-M297 HydrophobicContact CZ-CG 4.39Å; F277-M297 HydrophobicContact CZ-SD 4.05Å; W293-M297 HydrophobicContact CD2-CG 3.86Å; W293-M297 HydrophobicContact CE3-CG 4.15Å; W293-M297 HydrophobicContact CG-CG 4.46Å; W293-M297 HydrophobicContact CH2-CE 4.48Å; W293-M297 HydrophobicContact CH2-CG 3.99Å; W293-M297 HydrophobicContact CZ2-CE 4.15Å; W293-M297 HydrophobicContact CZ2-CG 3.68Å; W293-M297 HydrophobicContact CZ2-SD 4.04Å; W293-M297 HydrophobicContact CZ3-CG 4.21Å; W293-M297 WeakPolarHBondContact O-CB 3.37Å; W293-M297 WeakPolarHBondContact O-CG 3.36Å; W293-M297 PolarHBondContact O-N 3.39Å; C294-M297 PolarHBondContact O-N 2.89Å; M297-T301 HydrophobicContact CE-CG2 4.43Å; M297-T301 WeakPolarHBondContact O-CB 3.35Å; M297-T301 WeakPolarHBondContact O-CG2 3.25Å; M297-T301 PolarHBondContact O-N 2.99Å; M297-T301 PolarHBondContact O-OG1 3.07Å; M297-W307 HydrophobicContact CB-CB 4.39Å; M297-W307 HydrophobicContact CB-CD2 3.56Å; M297-W307 HydrophobicContact CB-CE3 3.96Å; M297-W307 HydrophobicContact CB-CG 3.74Å; M297-W307 HydrophobicContact CB-CZ2 4.28Å; M297-W307 HydrophobicContact CB-CZ3 4.47Å; M297-W307 HydrophobicContact CE-CD2 4.48Å; M297-W307 HydrophobicContact CE-CE3 3.74Å; M297-W307 HydrophobicContact CE-CH2 3.83Å; M297-W307 HydrophobicContact CE-CZ3 3.38Å; M297-W307 HydrophobicContact CG-CD2 4.45Å; M297-W307 HydrophobicContact CG-CE3 4.42Å; M297-M330 HydrophobicContact CE-CE 4.39Å; M297-M330 HydrophobicContact CE-SD 4.08Å; M297-M330 HydrophobicContact SD-CE 3.83Å; M297-M330 HydrophobicContact SD-SD 4.02Å
298A92.8Very high90.3Very high41 Ų4151.3 Ų51.334%0.33927%0.273SS..Hα-helixtrans-64.9-45.8177.400000112.6C294 D295 V296 H302 W307C294-A298 WeakPolarHBondContact O-CB 3.45Å; C294-A298 PolarHBondContact O-N 3.18Å; D295-A298 PolarHBondContact O-N 3.21Å; V296-A298 VanDerWaalsContact C-N 3.33Å; V296-A298 PolarHBondContact O-N 3.16Å; A298-H302 VanDerWaalsContact O-CA 3.32Å; A298-H302 WeakPolarHBondContact O-CA 3.19Å; A298-H302 PolarHBondContact O-N 3.35Å; A298-H302 VanDerWaalsContact O-N 3.11Å; A298-W307 VanDerWaalsContact CA-NE1 3.28Å
299S93.5Very high89.6Confident64 Ų6453.8 Ų53.845%0.44829%0.29SS..Hα-helixtrans-73.4-38.2-175.758.70000113.1D295 V296 H302D295-S299 VanDerWaalsContact O-CB 3.3Å; D295-S299 WeakPolarHBondContact O-CB 3.21Å; D295-S299 PolarHBondContact O-N 3.32Å; D295-S299 PolarHBondContact O-OG 2.88Å; V296-S299 WeakPolarHBondContact CA-OG 3.35Å; V296-S299 PolarHBondContact O-N 3.35Å; V296-S299 PolarHBondContact O-OG 2.59Å; V296-S299 VanDerWaalsContact O-OG 3.12Å; S299-H302 PolarHBondContact O-CE1 2.89Å; S299-H302 PolarHBondContact O-ND1 2.59Å; S299-H302 VanDerWaalsContact O-ND1 3.17Å; S299-H302 PolarHBondContact O-NE2 3.12Å
300V97.1Very high89.4Confident3 Ų353.4 Ų53.42%0.01829%0.285CS..Hα-helixtrans-81.9-41.4-175.9173.40000112.1H269 K272 L273 C276 V296H269-V300 HydrophobicContact CB-CG1 3.74Å; K272-V300 HydrophobicContact CB-CG1 4.13Å; K272-V300 HydrophobicContact CD-CG1 3.99Å; K272-V300 HydrophobicContact CG-CG1 3.89Å; K272-V300 HydrophobicContact CG-CG2 4.35Å; L273-V300 HydrophobicContact CD2-CB 3.64Å; L273-V300 HydrophobicContact CD2-CG1 3.64Å; L273-V300 HydrophobicContact CD2-CG2 4.14Å; L273-V300 HydrophobicContact CG-CB 4.3Å; L273-V300 HydrophobicContact CG-CG1 3.72Å; C276-V300 HydrophobicContact CB-CG2 4.38Å; V296-V300 HydrophobicContact CG1-CG2 3.92Å; V296-V300 VanDerWaalsContact O-CB 3.27Å; V296-V300 WeakPolarHBondContact O-CB 3.25Å; V296-V300 WeakPolarHBondContact O-CG2 3.37Å; V296-V300 PolarHBondContact O-N 3.4Å
301T94.2Very high89.4Confident9 Ų955.8 Ų55.86%0.05529%0.293CS..Hα-helixtrans-85.4-16.8-179.170.70000113I266 M297 L303 W307I266-T301 HydrophobicContact CG1-CG2 4.48Å; M297-T301 HydrophobicContact CE-CG2 4.43Å; M297-T301 WeakPolarHBondContact O-CB 3.35Å; M297-T301 WeakPolarHBondContact O-CG2 3.25Å; M297-T301 PolarHBondContact O-N 2.99Å; M297-T301 PolarHBondContact O-OG1 3.07Å; T301-L303 PolarHBondContact O-N 3.33Å; T301-L303 VanDerWaalsContact O-N 3.12Å; T301-L303 PolarHBondContact OG1-N 2.99Å; T301-W307 HydrophobicContact CG2-CH2 4.33Å; T301-W307 HydrophobicContact CG2-CZ2 4.44Å; T301-W307 WeakPolarHBondContact OG1-CZ2 3.39Å
302H91.7Very high89.3Confident142 Ų14253.9 Ų53.966%0.65728%0.282SS*.  trans55.921.5-173.5-54.7-69000114.3A298 S299A298-H302 VanDerWaalsContact O-CA 3.32Å; A298-H302 WeakPolarHBondContact O-CA 3.19Å; A298-H302 PolarHBondContact O-N 3.35Å; A298-H302 VanDerWaalsContact O-N 3.11Å; S299-H302 PolarHBondContact O-CE1 2.89Å; S299-H302 PolarHBondContact O-ND1 2.59Å; S299-H302 VanDerWaalsContact O-ND1 3.17Å; S299-H302 PolarHBondContact O-NE2 3.12Å
303L88.8Confident88.9Confident33 Ų3353.3 Ų53.317%0.17328%0.277CS..  trans-92128.1176.6-51.2172.7000110.6L262 R265 T301 L305 W307L262-L303 HydrophobicContact CD1-CD1 3.82Å; R265-L303 HydrophobicContact CB-CD1 3.96Å; T301-L303 PolarHBondContact O-N 3.33Å; T301-L303 VanDerWaalsContact O-N 3.12Å; T301-L303 PolarHBondContact OG1-N 2.99Å; L303-L305 HydrophobicContact CB-CD1 3.86Å; L303-L305 HydrophobicContact CB-CG 3.97Å; L303-L305 HydrophobicContact CD1-CD1 3.97Å; L303-L305 PolarHBondContact O-N 3.11Å; L303-W307 HydrophobicContact CB-CH2 4.35Å; L303-W307 HydrophobicContact CB-CZ2 3.83Å; L303-W307 HydrophobicContact CD1-CH2 4.04Å; L303-W307 HydrophobicContact CD1-CZ2 4.33Å; L303-W307 PolarHBondContact O-NE1 3.25Å
304K86.4Confident88.6Confident217 Ų21753.8 Ų53.894%0.94328%0.279SS*.  trans-81.166.7176-62.4-175.2-179.1-177.40110.6
305L86.5Confident88.5Confident76 Ų7653.4 Ų53.440%0.39828%0.277SS..SBendtrans-116.7155.9-178.3-63.6174.2000111L262 L303 W307 L310L262-L305 HydrophobicContact CD1-CD1 3.47Å; L262-L305 VanDerWaalsContact CD1-CD1 3.47Å; L303-L305 HydrophobicContact CB-CD1 3.86Å; L303-L305 HydrophobicContact CB-CG 3.97Å; L303-L305 HydrophobicContact CD1-CD1 3.97Å; L303-L305 PolarHBondContact O-N 3.11Å; L305-W307 VanDerWaalsContact C-N 3.34Å; L305-W307 HydrophobicContact CB-CZ2 4.31Å; L305-W307 HydrophobicContact CD1-CH2 4.07Å; L305-W307 HydrophobicContact CD1-CZ2 4.31Å; L305-W307 HydrophobicContact CD1-CZ3 4.49Å; L305-W307 PolarHBondContact O-N 3.27Å; L305-L310 HydrophobicContact CB-CD1 3.85Å; L305-L310 HydrophobicContact CD1-CD1 3.96Å; L305-L310 HydrophobicContact CG-CD1 4.43Å
306S85.8Confident88.4Confident63 Ų6354 Ų5444%0.44128%0.28SS..  trans-78.484.9170.3-1740000110.1R308 C309 L310S306-R308 PolarHBondContact O-N 3.08Å; S306-C309 WeakPolarHBondContact O-CB 3.24Å; S306-C309 PolarHBondContact O-N 3.23Å; S306-C309 PolarHBondContact OG-SG 3.03Å; S306-L310 PolarHBondContact O-N 3.34Å; S306-L310 VanDerWaalsContact O-N 3.09Å
307W88.6Confident87.9Confident8 Ų856.3 Ų56.33%0.0329%0.291CS..Hα-helixtrans-57.1-38-179.7-64.5114.3000112.8L262 I266 W293 C294 M297 A298 T301 L303 L305 C309 L310 R311 L314L262-W307 HydrophobicContact CD1-CH2 4.07Å; L262-W307 HydrophobicContact CD1-CZ3 4.21Å; I266-W307 HydrophobicContact CD1-CH2 4.46Å; I266-W307 HydrophobicContact CD1-CZ3 4.08Å; I266-W307 HydrophobicContact CG1-CH2 4.42Å; I266-W307 HydrophobicContact CG1-CZ3 4.49Å; W293-W307 HydrophobicContact CH2-CE3 4.5Å; W293-W307 HydrophobicContact CZ3-CB 3.88Å; W293-W307 WeakPolarHBondContact CZ3-O 3.37Å; C294-W307 HydrophobicContact CB-CB 4.07Å; M297-W307 HydrophobicContact CB-CB 4.39Å; M297-W307 HydrophobicContact CB-CD2 3.56Å; M297-W307 HydrophobicContact CB-CE3 3.96Å; M297-W307 HydrophobicContact CB-CG 3.74Å; M297-W307 HydrophobicContact CB-CZ2 4.28Å; M297-W307 HydrophobicContact CB-CZ3 4.47Å; M297-W307 HydrophobicContact CE-CD2 4.48Å; M297-W307 HydrophobicContact CE-CE3 3.74Å; M297-W307 HydrophobicContact CE-CH2 3.83Å; M297-W307 HydrophobicContact CE-CZ3 3.38Å; M297-W307 HydrophobicContact CG-CD2 4.45Å; M297-W307 HydrophobicContact CG-CE3 4.42Å; A298-W307 VanDerWaalsContact CA-NE1 3.28Å; T301-W307 HydrophobicContact CG2-CH2 4.33Å; T301-W307 HydrophobicContact CG2-CZ2 4.44Å; T301-W307 WeakPolarHBondContact OG1-CZ2 3.39Å; L303-W307 HydrophobicContact CB-CH2 4.35Å; L303-W307 HydrophobicContact CB-CZ2 3.83Å; L303-W307 HydrophobicContact CD1-CH2 4.04Å; L303-W307 HydrophobicContact CD1-CZ2 4.33Å; L303-W307 PolarHBondContact O-NE1 3.25Å; L305-W307 VanDerWaalsContact C-N 3.34Å; L305-W307 HydrophobicContact CB-CZ2 4.31Å; L305-W307 HydrophobicContact CD1-CH2 4.07Å; L305-W307 HydrophobicContact CD1-CZ2 4.31Å; L305-W307 HydrophobicContact CD1-CZ3 4.49Å; L305-W307 PolarHBondContact O-N 3.27Å; W307-C309 VanDerWaalsContact C-N 3.26Å; W307-C309 PolarHBondContact O-N 3.22Å; W307-L310 HydrophobicContact CE3-CD1 4.1Å; W307-L310 HydrophobicContact CZ3-CD1 4.21Å; W307-L310 CarbonylContact O-C 3.59Å; W307-L310 PolarHBondContact O-N 2.9Å; W307-L310 VanDerWaalsContact O-N 3.07Å; W307-R311 PolarHBondContact O-N 3.23Å; W307-L314 HydrophobicContact CE3-CD1 4.3Å; W307-L314 HydrophobicContact CZ3-CD1 4.12Å
308R83.3Confident87.2Confident108 Ų10856.9 Ų56.941%0.40830%0.295SS..Hα-helixtrans-59-36.7176.6-164.1172.8-64.6-89-0.2112.5L290 T291 S306 R311L290-R308 HydrophobicContact CD2-CG 4.3Å; T291-R308 PolarHBondContact OG1-NH2 2.85Å; S306-R308 PolarHBondContact O-N 3.08Å; R308-R311 WeakPolarHBondContact O-CB 3.17Å
309C77.5Confident86.6Confident62 Ų6263.2 Ų63.242%0.41932%0.323SS..Hα-helixtrans-72.8-41.1173.6-63.60000112S306 W307 R311S306-C309 WeakPolarHBondContact O-CB 3.24Å; S306-C309 PolarHBondContact O-N 3.23Å; S306-C309 PolarHBondContact OG-SG 3.03Å; W307-C309 VanDerWaalsContact C-N 3.26Å; W307-C309 PolarHBondContact O-N 3.22Å; C309-R311 VanDerWaalsContact C-N 3.29Å; C309-R311 PolarHBondContact O-N 3.42Å
310L85.1Confident85.9Confident30 Ų3066.3 Ų66.316%0.15733%0.334CS..Hα-helixtrans-73.9-19.6-177.9-67.2170.1000113.5F259 L262 L305 S306 W307 S312 F313 L314F259-L310 HydrophobicContact CE1-CD2 4.01Å; F259-L310 HydrophobicContact CZ-CD2 3.96Å; L262-L310 HydrophobicContact CD2-CD1 3.86Å; L262-L310 HydrophobicContact CD2-CD2 4.15Å; L305-L310 HydrophobicContact CB-CD1 3.85Å; L305-L310 HydrophobicContact CD1-CD1 3.96Å; L305-L310 HydrophobicContact CG-CD1 4.43Å; S306-L310 PolarHBondContact O-N 3.34Å; S306-L310 VanDerWaalsContact O-N 3.09Å; W307-L310 HydrophobicContact CE3-CD1 4.1Å; W307-L310 HydrophobicContact CZ3-CD1 4.21Å; W307-L310 CarbonylContact O-C 3.59Å; W307-L310 PolarHBondContact O-N 2.9Å; W307-L310 VanDerWaalsContact O-N 3.07Å; L310-S312 PolarHBondContact O-N 2.95Å; L310-S312 VanDerWaalsContact O-N 3.08Å; L310-F313 WeakPolarHBondContact O-CB 3.32Å; L310-F313 PolarHBondContact O-N 3.4Å; L310-L314 HydrophobicContact CB-CD1 3.89Å; L310-L314 PolarHBondContact O-N 3.4Å
311R87.1Confident85Confident65 Ų6570.8 Ų70.825%0.24536%0.355CS..Hα-helixtrans-44.9-44.7180178.7-74.8-48.3154.54.7112.5L290 W293 W307 R308 C309 F313 L314 V315 V325L290-R311 HydrophobicContact CD1-CB 4.29Å; L290-R311 HydrophobicContact CD1-CG 3.61Å; W293-R311 HydrophobicContact CH2-CB 4.27Å; W293-R311 HydrophobicContact CZ3-CB 3.92Å; W293-R311 HydrophobicContact CZ3-CG 4.35Å; W307-R311 PolarHBondContact O-N 3.23Å; R308-R311 WeakPolarHBondContact O-CB 3.17Å; C309-R311 VanDerWaalsContact C-N 3.29Å; C309-R311 PolarHBondContact O-N 3.42Å; R311-F313 PolarHBondContact O-N 2.99Å; R311-L314 PolarHBondContact O-N 3.01Å; R311-V315 HydrophobicContact CB-CG1 4.45Å; R311-V315 HydrophobicContact CG-CG1 3.65Å; R311-V315 PolarHBondContact O-N 3.46Å; R311-V315 VanDerWaalsContact O-O 3.05Å; R311-V325 HydrophobicContact CG-CG1 4.23Å
312S81Confident84.1Confident28 Ų2874.9 Ų74.920%0.19638%0.38CS..Hα-helixtrans-66.2-10.9-176.484.50000115.9L310 R429L310-S312 PolarHBondContact O-N 2.95Å; L310-S312 VanDerWaalsContact O-N 3.08Å; S312-R429 PolarHBondContact O-NH2 3.21Å; S312-R429 PolarHBondContact OG-NH2 2.92Å
313F81.9Confident83.6Confident53 Ų5372.8 Ų72.823%0.23237%0.374CS..Hα-helixtrans-105.7-14.1176.3-57.7-83.3000112.4F259 L310 R311 F423F259-F313 HydrophobicContact CD1-CB 4.24Å; F259-F313 HydrophobicContact CE1-CB 3.46Å; F259-F313 VanDerWaalsContact CE1-CB 3.46Å; F259-F313 HydrophobicContact CE1-CD1 4.09Å; F259-F313 AromaticContact CE1-CD2 3.86Å; F259-F313 HydrophobicContact CE1-CD2 3.86Å; F259-F313 AromaticContact CE1-CG 3.54Å; F259-F313 HydrophobicContact CE1-CG 3.54Å; F259-F313 HydrophobicContact CZ-CB 4.09Å; F259-F313 AromaticContact CZ-CD1 3.94Å; F259-F313 HydrophobicContact CZ-CD1 3.94Å; F259-F313 AromaticContact CZ-CD2 3.65Å; F259-F313 HydrophobicContact CZ-CD2 3.65Å; F259-F313 HydrophobicContact CZ-CE1 4.26Å; F259-F313 HydrophobicContact CZ-CE2 4Å; F259-F313 AromaticContact CZ-CG 3.62Å; F259-F313 HydrophobicContact CZ-CG 3.62Å; F259-F313 HydrophobicContact CZ-CZ 4.29Å; L310-F313 WeakPolarHBondContact O-CB 3.32Å; L310-F313 PolarHBondContact O-N 3.4Å; R311-F313 PolarHBondContact O-N 2.99Å; F313-F423 HydrophobicContact CB-CE1 4.35Å; F313-F423 WeakPolarHBondContact O-CE1 3.37Å
314L87.2Confident83.4Confident9 Ų974.1 Ų74.15%0.04738%0.379CS..Hα-helixtrans-117.2-38.1-167.1-64.6175.9000112.9L262 W263 I266 W293 W307 L310 R311 M330 F423L262-L314 HydrophobicContact CD2-CD1 4.48Å; W263-L314 HydrophobicContact CE3-CD2 4.17Å; W263-L314 HydrophobicContact CZ3-CD2 4.41Å; I266-L314 HydrophobicContact CD1-CD1 3.82Å; I266-L314 HydrophobicContact CD1-CD2 3.87Å; W293-L314 HydrophobicContact CH2-CB 4.33Å; W293-L314 HydrophobicContact CH2-CD1 4.19Å; W293-L314 HydrophobicContact CZ2-CB 4.27Å; W307-L314 HydrophobicContact CE3-CD1 4.3Å; W307-L314 HydrophobicContact CZ3-CD1 4.12Å; L310-L314 HydrophobicContact CB-CD1 3.89Å; L310-L314 PolarHBondContact O-N 3.4Å; R311-L314 PolarHBondContact O-N 3.01Å; L314-M330 HydrophobicContact CB-SD 4.43Å; L314-M330 WeakPolarHBondContact O-CA 3.37Å; L314-M330 WeakPolarHBondContact O-CB 3.33Å; L314-M330 VanDerWaalsContact O-CG 3.3Å; L314-M330 WeakPolarHBondContact O-CG 3.38Å; L314-F423 HydrophobicContact CD2-CZ 4.08Å
315V88.3Confident83.4Confident4 Ų463.8 Ų63.82%0.02433%0.334CS..  trans-145.3141.4-172.169.70000111.4W293 R311 V325 A326 S329 M330W293-V315 HydrophobicContact CD2-CG1 4.1Å; W293-V315 HydrophobicContact CH2-CG1 4.05Å; W293-V315 HydrophobicContact CZ2-CB 4.09Å; W293-V315 HydrophobicContact CZ2-CG1 3.58Å; W293-V315 HydrophobicContact CZ3-CG1 4.48Å; R311-V315 HydrophobicContact CB-CG1 4.45Å; R311-V315 HydrophobicContact CG-CG1 3.65Å; R311-V315 PolarHBondContact O-N 3.46Å; R311-V315 VanDerWaalsContact O-O 3.05Å; V315-V325 HydrophobicContact CG1-CB 4.18Å; V315-V325 HydrophobicContact CG1-CG1 3.9Å; V315-V325 HydrophobicContact CG2-CB 4.06Å; V315-A326 WeakPolarHBondContact CG2-O 3.14Å; V315-S329 VanDerWaalsContact CG2-OG 3.32Å; V315-S329 WeakPolarHBondContact CG2-OG 3.37Å; V315-M330 HydrophobicContact CB-CB 4.2Å; V315-M330 HydrophobicContact CG2-CB 4.21Å
316N86.5Confident83.7Confident107 Ų10761.5 Ų61.557%0.57233%0.326SS*.PPolyproline II helixtrans-76.3145.5176.4-63.4-21.1000110.8V325 A326 S329N316-V325 WeakPolarHBondContact O-CA 3.08Å; N316-A326 PolarHBondContact O-N 3.46Å; N316-S329 WeakPolarHBondContact CB-OG 3.39Å; N316-S329 PolarHBondContact N-OG 2.95Å
317L85.8Confident84.1Confident60 Ų6058.9 Ų58.931%0.31431%0.307SS..BIsolated β-bridgetrans-69.1156.7167.4-66.9175.4000110.2T322 Q324 V325L317-T322 WeakPolarHBondContact CD2-O 3.16Å; L317-Q324 WeakPolarHBondContact CA-O 3.34Å; L317-Q324 WeakPolarHBondContact CD2-O 3.14Å; L317-V325 HydrophobicContact CD2-CG1 4.12Å
318S82.4Confident84.2Confident12 Ų1261.9 Ų61.98%0.08432%0.324CS..PPolyproline II helixtrans-59146.3163.5177.50000109.5D320 Q324S318-D320 PolarHBondContact O-N 3.09Å; S318-D320 PolarHBondContact OG-N 3.46Å; S318-Q324 PolarHBondContact N-O 3.13Å
319L80Confident84.4Confident175 Ų17557.7 Ų57.792%0.91631%0.31SS*.SBendtrans-64.8-31.2176.5-70.3168.5000111.6
320D79.6Confident84.9Confident129 Ų12954.8 Ų54.869%0.6929%0.291SS*.SBendtrans-93.9-27.2-171.9-55.6-44.1000112.6S318S318-D320 PolarHBondContact O-N 3.09Å; S318-D320 PolarHBondContact OG-N 3.46Å
321H76.9Confident84.9Confident96 Ų9654.9 Ų54.944%0.44429%0.29SS..  trans-142.3119-167.5-64-57.9000112.8D323 Q324H321-D323 WeakPolarHBondContact CB-OD1 3.45Å; H321-D323 PolarHBondContact O-N 3.18Å; H321-Q324 HydrophobicContact CB-CB 4.12Å; H321-Q324 HydrophobicContact CB-CG 3.95Å; H321-Q324 PolarHBondContact CD2-OE1 3.32Å; H321-Q324 PolarHBondContact O-N 2.61Å
322T76.4Confident84.3Confident95 Ų9556.2 Ų56.258%0.58331%0.306SS*.THydrogen-bonded Turntrans-71-15.3-177.6580000114.4L317L317-T322 WeakPolarHBondContact CD2-O 3.16Å
323D79.8Confident83.5Confident99 Ų9957.6 Ų57.653%0.52932%0.324SS..THydrogen-bonded Turntrans-95.66.6176.863.4-28.6000112.7L290 H321L290-D323 VanDerWaalsContact CB-O 3.23Å; L290-D323 WeakPolarHBondContact CB-O 3.3Å; L290-D323 PolarHBondContact N-O 2.97Å; H321-D323 WeakPolarHBondContact CB-OD1 3.45Å; H321-D323 PolarHBondContact O-N 3.18Å
324Q84.8Confident82.7Confident60 Ų6058.4 Ų58.428%0.2833%0.331SS..EExtended strand (participates in β ladder)trans-122.9155.2177.5-63.8178.6-600111.2I287 I288 L317 S318 H321I287-Q324 HydrophobicContact CG2-CB 3.74Å; I287-Q324 HydrophobicContact CG2-CG 4.36Å; I288-Q324 CarbonylContact O-C 3.54Å; I288-Q324 VanDerWaalsContact O-CA 3.31Å; I288-Q324 WeakPolarHBondContact O-CA 3.37Å; L317-Q324 WeakPolarHBondContact CA-O 3.34Å; L317-Q324 WeakPolarHBondContact CD2-O 3.14Å; S318-Q324 PolarHBondContact N-O 3.13Å; H321-Q324 HydrophobicContact CB-CB 4.12Å; H321-Q324 HydrophobicContact CB-CG 3.95Å; H321-Q324 PolarHBondContact CD2-OE1 3.32Å; H321-Q324 PolarHBondContact O-N 2.61Å
325V87.8Confident82Confident0 Ų058.9 Ų58.90%033%0.334CS..EExtended strand (participates in β ladder)trans-126.6142179.5-65.40000111.1I287 I288 L290 W293 R311 V315 N316 L317 Y327I287-V325 WeakPolarHBondContact CA-O 3.36Å; I288-V325 HydrophobicContact CD1-CG2 4.5Å; I288-V325 HydrophobicContact CG1-CG2 3.77Å; I288-V325 PolarHBondContact N-O 3.25Å; I288-V325 VanDerWaalsContact N-O 3.12Å; I288-V325 PolarHBondContact O-N 3.2Å; L290-V325 HydrophobicContact CB-CG1 4.43Å; L290-V325 HydrophobicContact CD1-CG1 3.85Å; W293-V325 HydrophobicContact CB-CG2 3.61Å; W293-V325 HydrophobicContact CG-CG2 3.71Å; R311-V325 HydrophobicContact CG-CG1 4.23Å; V315-V325 HydrophobicContact CG1-CB 4.18Å; V315-V325 HydrophobicContact CG1-CG1 3.9Å; V315-V325 HydrophobicContact CG2-CB 4.06Å; N316-V325 WeakPolarHBondContact O-CA 3.08Å; L317-V325 HydrophobicContact CD2-CG1 4.12Å; V325-Y327 PolarHBondContact O-N 3.12Å
326A92.9Very high81.5Confident29 Ų2958.7 Ų58.724%0.2433%0.333CS..EExtended strand (participates in β ladder)trans-82.787.7168.700000108.3G286 V315 N316 N328 S329G286-A326 CarbonylContact O-C 3.58Å; G286-A326 WeakPolarHBondContact O-CA 3.4Å; V315-A326 WeakPolarHBondContact CG2-O 3.14Å; N316-A326 PolarHBondContact O-N 3.46Å; A326-N328 VanDerWaalsContact C-N 3.25Å; A326-N328 PolarHBondContact O-N 3.02Å; A326-N328 VanDerWaalsContact O-N 3.16Å; A326-S329 WeakPolarHBondContact O-CB 3.33Å; A326-S329 PolarHBondContact O-N 3.35Å; A326-S329 PolarHBondContact O-OG 3.38Å
327Y93.4Very high81.2Confident7 Ų754.8 Ų54.83%0.02731%0.312CS..G310 helixtrans-61.9-30.9-165.263.9-97000113.7L274 F277 D281 G286 I288 V325 S329 M330L274-Y327 HydrophobicContact CD2-CD2 4.18Å; L274-Y327 HydrophobicContact CD2-CE2 4.24Å; F277-Y327 HydrophobicContact CB-CD1 4.17Å; F277-Y327 HydrophobicContact CB-CD2 3.58Å; F277-Y327 HydrophobicContact CB-CE1 4.4Å; F277-Y327 HydrophobicContact CB-CE2 3.86Å; F277-Y327 HydrophobicContact CB-CG 3.75Å; F277-Y327 AromaticContact CD2-CD2 3.73Å; F277-Y327 HydrophobicContact CD2-CD2 3.73Å; F277-Y327 HydrophobicContact CD2-CG 4.04Å; F277-Y327 AromaticContact CG-CD2 3.97Å; F277-Y327 HydrophobicContact CG-CD2 3.97Å; F277-Y327 HydrophobicContact CG-CG 4.01Å; D281-Y327 HydrophobicContact CB-CE1 3.96Å; D281-Y327 WeakPolarHBondContact OD2-CE1 3.13Å; D281-Y327 PolarHBondContact OD2-OH 3.35Å; G286-Y327 VanDerWaalsContact C-CD1 3.47Å; G286-Y327 VanDerWaalsContact CA-CE1 3.47Å; G286-Y327 WeakPolarHBondContact O-CD1 3.06Å; G286-Y327 WeakPolarHBondContact O-CE1 3.1Å; G286-Y327 PolarHBondContact O-N 3.5Å; I288-Y327 HydrophobicContact CB-CD1 4.49Å; I288-Y327 HydrophobicContact CD1-CD1 4.39Å; I288-Y327 HydrophobicContact CG1-CD1 4.09Å; I288-Y327 HydrophobicContact CG2-CD1 3.89Å; I288-Y327 HydrophobicContact CG2-CE1 4.11Å; V325-Y327 PolarHBondContact O-N 3.12Å; Y327-S329 PolarHBondContact O-N 3.38Å; Y327-M330 WeakPolarHBondContact O-CB 3.44Å; Y327-M330 PolarHBondContact O-N 3.2Å
328N90.6Very high81Confident72 Ų7251.9 Ų51.939%0.38530%0.297SS..G310 helixtrans-60.2-29174.8-73-48.3000112A326 M330 F331 T332A326-N328 VanDerWaalsContact C-N 3.25Å; A326-N328 PolarHBondContact O-N 3.02Å; A326-N328 VanDerWaalsContact O-N 3.16Å; N328-M330 PolarHBondContact O-N 3.01Å; N328-M330 VanDerWaalsContact O-N 3.08Å; N328-F331 PolarHBondContact O-N 2.9Å; N328-T332 WeakPolarHBondContact O-CG2 3.4Å; N328-T332 PolarHBondContact O-N 3.4Å
329S87.9Confident80.9Confident19 Ų1953.6 Ų53.613%0.13331%0.307CS..G310 helixtrans-59.4-25.8-178.169.40000113.5V315 N316 A326 Y327 F331 T332V315-S329 VanDerWaalsContact CG2-OG 3.32Å; V315-S329 WeakPolarHBondContact CG2-OG 3.37Å; N316-S329 WeakPolarHBondContact CB-OG 3.39Å; N316-S329 PolarHBondContact N-OG 2.95Å; A326-S329 WeakPolarHBondContact O-CB 3.33Å; A326-S329 PolarHBondContact O-N 3.35Å; A326-S329 PolarHBondContact O-OG 3.38Å; Y327-S329 PolarHBondContact O-N 3.38Å; S329-F331 PolarHBondContact O-N 3.29Å; S329-T332 VanDerWaalsContact CA-OG1 3.24Å; S329-T332 WeakPolarHBondContact CA-OG1 3.44Å; S329-T332 PolarHBondContact O-N 3.04Å; S329-T332 PolarHBondContact O-OG1 3.01Å; S329-T332 VanDerWaalsContact O-OG1 3.11Å
330M87.2Confident80.8Confident1 Ų149.1 Ų49.11%0.00529%0.285CS..G310 helixtrans-61-28.3176.5-174.5167.180.100112.8W263 I266 L273 F277 W293 M297 L314 V315 Y327 N328W263-M330 HydrophobicContact CH2-CG 4.08Å; W263-M330 WeakPolarHBondContact CH2-O 3.42Å; W263-M330 HydrophobicContact CZ3-CG 3.9Å; I266-M330 HydrophobicContact CG2-CE 4.03Å; I266-M330 HydrophobicContact CG2-SD 4.34Å; L273-M330 HydrophobicContact CD1-CE 3.96Å; F277-M330 HydrophobicContact CE2-CE 3.97Å; F277-M330 HydrophobicContact CZ-CE 4.32Å; W293-M330 HydrophobicContact CZ2-SD 3.86Å; M297-M330 HydrophobicContact CE-CE 4.39Å; M297-M330 HydrophobicContact CE-SD 4.08Å; M297-M330 HydrophobicContact SD-CE 3.83Å; M297-M330 HydrophobicContact SD-SD 4.02Å; L314-M330 HydrophobicContact CB-SD 4.43Å; L314-M330 WeakPolarHBondContact O-CA 3.37Å; L314-M330 WeakPolarHBondContact O-CB 3.33Å; L314-M330 VanDerWaalsContact O-CG 3.3Å; L314-M330 WeakPolarHBondContact O-CG 3.38Å; V315-M330 HydrophobicContact CB-CB 4.2Å; V315-M330 HydrophobicContact CG2-CB 4.21Å; Y327-M330 WeakPolarHBondContact O-CB 3.44Å; Y327-M330 PolarHBondContact O-N 3.2Å; N328-M330 PolarHBondContact O-N 3.01Å; N328-M330 VanDerWaalsContact O-N 3.08Å
331F84.6Confident80.8Confident33 Ų3343.2 Ų43.215%0.14525%0.253CS..G310 helixtrans-113.14.6-179.3-54.1-71.2000113.1W263 I266 I267 K270 L273 L274 N328 S329W263-F331 AromaticContact CH2-CD1 3.76Å; W263-F331 HydrophobicContact CH2-CD1 3.76Å; W263-F331 AromaticContact CH2-CE1 3.92Å; W263-F331 HydrophobicContact CH2-CE1 3.92Å; W263-F331 HydrophobicContact CZ2-CD1 4.26Å; I266-F331 HydrophobicContact CG2-CE1 4.46Å; I267-F331 HydrophobicContact CD1-CD1 4.08Å; I267-F331 HydrophobicContact CD1-CE1 4.22Å; K270-F331 HydrophobicContact CB-CD1 4.41Å; K270-F331 HydrophobicContact CB-CE1 3.84Å; K270-F331 HydrophobicContact CB-CZ 4.08Å; K270-F331 HydrophobicContact CD-CD1 3.95Å; K270-F331 HydrophobicContact CD-CE1 4.24Å; K270-F331 HydrophobicContact CD-CG 4.32Å; K270-F331 HydrophobicContact CG-CD1 3.85Å; K270-F331 HydrophobicContact CG-CD2 4.43Å; K270-F331 HydrophobicContact CG-CE1 3.7Å; K270-F331 HydrophobicContact CG-CE2 4.27Å; K270-F331 HydrophobicContact CG-CG 4.2Å; K270-F331 HydrophobicContact CG-CZ 3.89Å; L273-F331 HydrophobicContact CB-CZ 4.26Å; L273-F331 HydrophobicContact CD1-CZ 4Å; L274-F331 HydrophobicContact CD1-CD2 4.29Å; L274-F331 HydrophobicContact CD1-CE2 4.43Å; L274-F331 HydrophobicContact CD2-CD2 3.78Å; L274-F331 HydrophobicContact CD2-CE2 3.84Å; L274-F331 HydrophobicContact CG-CD2 4.05Å; L274-F331 HydrophobicContact CG-CE2 3.84Å; N328-F331 PolarHBondContact O-N 2.9Å; S329-F331 PolarHBondContact O-N 3.29Å
332T75.6Confident80.5Confident93 Ų9341.8 Ų41.857%0.57125%0.252SS*.SBendtrans-94.9129.4174.361.80000110.3N328 S329N328-T332 WeakPolarHBondContact O-CG2 3.4Å; N328-T332 PolarHBondContact O-N 3.4Å; S329-T332 VanDerWaalsContact CA-OG1 3.24Å; S329-T332 WeakPolarHBondContact CA-OG1 3.44Å; S329-T332 PolarHBondContact O-N 3.04Å; S329-T332 PolarHBondContact O-OG1 3.01Å; S329-T332 VanDerWaalsContact O-OG1 3.11Å
333G64.8Low80.4Confident56 Ų5644.2 Ų44.258%0.57726%0.262SS*.SBendtrans85.7-167.6-178.300000113.3
334N64.3Low80.3Confident70 Ų7043.7 Ų43.737%0.37426%0.256SS..  trans-101.4107-170-52.1-43.5000109N345 V424N334-N345 HydrophobicContact CB-CB 4.02Å; N334-N345 VanDerWaalsContact CG-CG 3.43Å; N334-N345 VanDerWaalsContact ND2-CB 3.34Å; N334-N345 WeakPolarHBondContact ND2-CB 3.43Å; N334-N345 PolarHBondContact ND2-ND2 2.84Å; N334-N345 WeakPolarHBondContact OD1-CB 3.32Å; N334-V424 HydrophobicContact CB-CG2 4.33Å; N334-V424 WeakPolarHBondContact O-CB 3.48Å; N334-V424 WeakPolarHBondContact O-CG2 3.48Å
335C72.7Confident79.7Confident19 Ų1942.6 Ų42.613%0.12825%0.252CS..SBendtrans-77.5-34.4172.9-71.90000111.3W263 F423 V424W263-C335 HydrophobicContact CD2-CB 3.92Å; W263-C335 VanDerWaalsContact CE2-CB 3.45Å; W263-C335 HydrophobicContact CG-CB 4.3Å; W263-C335 HydrophobicContact CH2-CB 4.41Å; W263-C335 HydrophobicContact CZ2-CB 3.73Å; W263-C335 WeakPolarHBondContact CZ2-SG 3.18Å; C335-F423 HydrophobicContact CB-CE2 4.03Å; C335-F423 HydrophobicContact CB-CZ 4.45Å; C335-F423 CarbonylContact O-C 3.59Å; C335-F423 WeakPolarHBondContact O-CA 3.43Å; C335-F423 WeakPolarHBondContact O-CD2 3.4Å; C335-V424 PolarHBondContact O-N 2.96Å
336V77.3Confident79.2Confident0 Ų046.2 Ų46.20%028%0.278CS..EExtended strand (participates in β ladder)trans-120.4147.8174.7-64.90000111.1N349 F352 F421 L422 F423V336-N349 WeakPolarHBondContact CG2-OD1 3.41Å; V336-F352 HydrophobicContact CG1-CE1 4.19Å; V336-F352 HydrophobicContact CG1-CE2 4.48Å; V336-F352 HydrophobicContact CG1-CZ 4.12Å; V336-F352 HydrophobicContact CG2-CB 4.19Å; V336-F352 HydrophobicContact CG2-CD1 4.1Å; V336-F352 HydrophobicContact CG2-CD2 4.48Å; V336-F352 HydrophobicContact CG2-CG 4Å; V336-F421 HydrophobicContact CB-CD1 4.16Å; V336-F421 HydrophobicContact CG2-CD1 4.22Å; V336-F421 HydrophobicContact CG2-CE1 4.49Å; V336-L422 CarbonylContact C-O 3.51Å; V336-L422 VanDerWaalsContact CA-O 3.27Å; V336-L422 WeakPolarHBondContact CA-O 3.48Å; V336-F423 HydrophobicContact CG1-CD2 4.25Å
337M79.8Confident78.7Confident25 Ų2545 Ų4512%0.12327%0.267CS..EExtended strand (participates in β ladder)trans-133.5156.5170.767.6176.5-57.400109.4L422 V424 K427M337-L422 HydrophobicContact CG-CB 3.95Å; M337-L422 PolarHBondContact N-O 2.97Å; M337-L422 PolarHBondContact O-N 3.4Å; M337-V424 HydrophobicContact CB-CG2 3.93Å; M337-V424 HydrophobicContact CG-CG2 3.93Å; M337-V424 HydrophobicContact SD-CG2 4.34Å; M337-K427 VanDerWaalsContact CE-NZ 3.33Å; M337-K427 HydrophobicContact SD-CD 3.51Å; M337-K427 VanDerWaalsContact SD-CD 3.51Å; M337-K427 PolarHBondContact SD-NZ 3.3Å
338H83Confident78.1Confident0 Ų044.7 Ų44.70%027%0.266CS..  trans-119.7131.1175.1-170.1-76.6000109.7D340 I341 A348 F417 S420 F421H338-D340 VanDerWaalsContact C-N 3.26Å; H338-D340 IonicContact CE1-OD2 2.88Å; H338-D340 PolarHBondContact CE1-OD2 2.95Å; H338-D340 VanDerWaalsContact CE1-OD2 3.3Å; H338-D340 PolarHBondContact ND1-N 3.21Å; H338-D340 PolarHBondContact O-N 3.19Å; H338-I341 HydrophobicContact CB-CD1 4.23Å; H338-I341 HydrophobicContact CB-CG1 3.67Å; H338-I341 CarbonylContact O-C 3.58Å; H338-I341 PolarHBondContact O-N 3.1Å; H338-I341 VanDerWaalsContact O-N 3.12Å; H338-A348 HydrophobicContact CB-CB 4.37Å; H338-F417 AromaticContact CD2-CD1 3.97Å; H338-F417 AromaticContact CD2-CE1 3.73Å; H338-F417 AromaticContact CD2-CZ 3.77Å; H338-F417 PolarHBondContact CD2-O 3.45Å; H338-F417 AromaticContact CE1-CD2 3.25Å; H338-F417 WeakPolarHBondContact CE1-CD2 3.42Å; H338-F417 AromaticContact CE1-CE2 3.21Å; H338-F417 WeakPolarHBondContact CE1-CE2 3.19Å; H338-F417 AromaticContact CE1-CG 3.84Å; H338-F417 AromaticContact CE1-CZ 3.76Å; H338-F417 AromaticContact CG-CZ 3.85Å; H338-F417 AromaticContact ND1-CE2 3.57Å; H338-F417 AromaticContact ND1-CZ 3.83Å; H338-F417 AromaticContact NE2-CD1 3.63Å; H338-F417 AromaticContact NE2-CD2 3.32Å; H338-F417 VanDerWaalsContact NE2-CD2 3.32Å; H338-F417 WeakPolarHBondContact NE2-CD2 3.46Å; H338-F417 AromaticContact NE2-CE1 3.77Å; H338-F417 AromaticContact NE2-CE2 3.51Å; H338-F417 AromaticContact NE2-CG 3.4Å; H338-F417 WeakPolarHBondContact NE2-CG 3.31Å; H338-F417 AromaticContact NE2-CZ 3.72Å; H338-F417 PolarHBondContact NE2-O 3.34Å; H338-S420 WeakPolarHBondContact NE2-CB 3.41Å; H338-F421 HydrophobicContact CB-CD1 4.36Å; H338-F421 HydrophobicContact CB-CE1 4.2Å; H338-F421 AromaticContact CD2-CD2 3.97Å; H338-F421 AromaticContact CD2-CE2 3.94Å
339P78.6Confident77.5Confident47 Ų4743 Ų4331%0.30526%0.257SS..THydrogen-bonded Turntrans-61.9-31.3-173.522.8-32.8000113.5L251 I341 P342 S420L251-P339 HydrophobicContact CD1-CG 4.39Å; P339-I341 VanDerWaalsContact C-N 3.31Å; P339-I341 PolarHBondContact O-N 2.89Å; P339-P342 WeakPolarHBondContact O-CD 3.45Å; P339-S420 WeakPolarHBondContact CD-O 3.1Å
340D78.8Confident77.3Confident82 Ų8243.9 Ų43.944%0.43926%0.259SS..THydrogen-bonded Turntrans-78-15179.6-58.3-16.8000113.4H338 L404H338-D340 VanDerWaalsContact C-N 3.26Å; H338-D340 IonicContact CE1-OD2 2.88Å; H338-D340 PolarHBondContact CE1-OD2 2.95Å; H338-D340 VanDerWaalsContact CE1-OD2 3.3Å; H338-D340 PolarHBondContact ND1-N 3.21Å; H338-D340 PolarHBondContact O-N 3.19Å; D340-L404 HydrophobicContact CB-CD2 4.35Å
341I80.1Confident77.1Confident4 Ų444 Ų442%0.02126%0.259CS..SBendtrans-133.357.1179.755.7167.2000111.3H338 P339 N343 E344 L347 A348 I351 L400 L403 F417H338-I341 HydrophobicContact CB-CD1 4.23Å; H338-I341 HydrophobicContact CB-CG1 3.67Å; H338-I341 CarbonylContact O-C 3.58Å; H338-I341 PolarHBondContact O-N 3.1Å; H338-I341 VanDerWaalsContact O-N 3.12Å; P339-I341 VanDerWaalsContact C-N 3.31Å; P339-I341 PolarHBondContact O-N 2.89Å; I341-N343 PolarHBondContact O-N 3.31Å; I341-N343 VanDerWaalsContact O-N 3.09Å; I341-E344 HydrophobicContact CB-CB 4.28Å; I341-E344 PolarHBondContact O-N 2.82Å; I341-E344 VanDerWaalsContact O-N 3.13Å; I341-L347 HydrophobicContact CD1-CD2 4.24Å; I341-L347 HydrophobicContact CD1-CG 4.28Å; I341-A348 HydrophobicContact CD1-CB 3.92Å; I341-I351 HydrophobicContact CD1-CD1 4.18Å; I341-L400 HydrophobicContact CG2-CD1 4.13Å; I341-L403 HydrophobicContact CB-CD1 4.22Å; I341-L403 HydrophobicContact CG2-CB 3.87Å; I341-L403 HydrophobicContact CG2-CD1 3.63Å; I341-L403 HydrophobicContact CG2-CG 4.42Å; I341-F417 HydrophobicContact CD1-CZ 4.4Å
342P69.9Low76.9Confident66 Ų6642.7 Ų42.743%0.42925%0.254SS..THydrogen-bonded Turntrans-65.3-21.9-166.728-35.5000114.1P339P339-P342 WeakPolarHBondContact O-CD 3.45Å
343N75.2Confident77.1Confident147 Ų14741.7 Ų41.779%0.78624%0.242SC*.THydrogen-bonded Turntrans-98.4-3.8-177.6-61.8-24.1000113.3I341I341-N343 PolarHBondContact O-N 3.31Å; I341-N343 VanDerWaalsContact O-N 3.09Å
344E77.7Confident77.8Confident88 Ų8839.1 Ų39.141%0.41122%0.216SC..  trans-119.959.3-168.6-72.6-75.1-179.800111.2I341 S346 L347 A348 L403I341-E344 HydrophobicContact CB-CB 4.28Å; I341-E344 PolarHBondContact O-N 2.82Å; I341-E344 VanDerWaalsContact O-N 3.13Å; E344-S346 PolarHBondContact O-N 2.79Å; E344-L347 HydrophobicContact CB-CB 4.2Å; E344-L347 WeakPolarHBondContact O-CB 3.27Å; E344-L347 PolarHBondContact O-N 2.89Å; E344-A348 PolarHBondContact O-N 3.01Å; E344-L403 HydrophobicContact CB-CD1 3.86Å; E344-L403 HydrophobicContact CG-CD1 3.63Å; E344-L403 HydrophobicContact CG-CD2 3.98Å; E344-L403 HydrophobicContact CG-CG 4.47Å
345N71.1Confident78.4Confident36 Ų3637.2 Ų37.219%0.19320%0.204CC..Hα-helixtrans-68.5-32.4-171.4-59.6-63.6000113.9N334 L347 A348 N349N334-N345 HydrophobicContact CB-CB 4.02Å; N334-N345 VanDerWaalsContact CG-CG 3.43Å; N334-N345 VanDerWaalsContact ND2-CB 3.34Å; N334-N345 WeakPolarHBondContact ND2-CB 3.43Å; N334-N345 PolarHBondContact ND2-ND2 2.84Å; N334-N345 WeakPolarHBondContact OD1-CB 3.32Å; N345-L347 VanDerWaalsContact C-N 3.29Å; N345-L347 PolarHBondContact O-N 2.7Å; N345-A348 PolarHBondContact O-N 2.97Å; N345-N349 PolarHBondContact O-N 3.31Å; N345-N349 PolarHBondContact O-ND2 3.44Å
346S77.3Confident78.5Confident77 Ų7738.5 Ų38.554%0.53821%0.213SC..Hα-helixtrans-59.8-44.2173.2-171.90000110.5E344 N349 E350E344-S346 PolarHBondContact O-N 2.79Å; S346-N349 PolarHBondContact O-N 2.77Å; S346-E350 WeakPolarHBondContact O-CG 3.43Å; S346-E350 PolarHBondContact O-N 3.03Å; S346-E350 PolarHBondContact OG-OE1 2.94Å
347L83.1Confident78.5Confident3 Ų342.3 Ų42.32%0.01623%0.23CC..Hα-helixtrans-65.5-42.6176.9-179.863.5000111.5I341 E344 N345 N349 E350 I351 V396 K399 L400 L403I341-L347 HydrophobicContact CD1-CD2 4.24Å; I341-L347 HydrophobicContact CD1-CG 4.28Å; E344-L347 HydrophobicContact CB-CB 4.2Å; E344-L347 WeakPolarHBondContact O-CB 3.27Å; E344-L347 PolarHBondContact O-N 2.89Å; N345-L347 VanDerWaalsContact C-N 3.29Å; N345-L347 PolarHBondContact O-N 2.7Å; L347-N349 VanDerWaalsContact C-N 3.33Å; L347-N349 PolarHBondContact O-N 3.14Å; L347-E350 PolarHBondContact O-N 3.36Å; L347-I351 HydrophobicContact CD1-CD1 4.06Å; L347-I351 HydrophobicContact CD1-CG1 4.13Å; L347-I351 HydrophobicContact CD2-CD1 4.36Å; L347-I351 HydrophobicContact CG-CD1 3.78Å; L347-I351 HydrophobicContact CG-CG1 4.3Å; L347-I351 VanDerWaalsContact O-CG1 3.3Å; L347-I351 WeakPolarHBondContact O-CG1 3.46Å; L347-I351 PolarHBondContact O-N 2.8Å; L347-V396 HydrophobicContact CD1-CG1 3.92Å; L347-K399 HydrophobicContact CD1-CB 3.68Å; L347-K399 HydrophobicContact CD1-CD 3.88Å; L347-K399 HydrophobicContact CD1-CG 4.48Å; L347-K399 HydrophobicContact CD2-CB 3.96Å; L347-K399 HydrophobicContact CG-CB 4.45Å; L347-L400 HydrophobicContact CD2-CB 4.46Å; L347-L403 HydrophobicContact CD2-CD1 3.4Å
348A81.2Confident78.4Confident0 Ų041.5 Ų41.50%023%0.226CC..Hα-helixtrans-57.1-46.917600000111.2H338 I341 E344 N345 I351 F352 F421H338-A348 HydrophobicContact CB-CB 4.37Å; I341-A348 HydrophobicContact CD1-CB 3.92Å; E344-A348 PolarHBondContact O-N 3.01Å; N345-A348 PolarHBondContact O-N 2.97Å; A348-I351 PolarHBondContact O-N 3.26Å; A348-F352 WeakPolarHBondContact O-CB 3.48Å; A348-F352 PolarHBondContact O-N 3.12Å; A348-F421 HydrophobicContact CB-CE1 4.15Å; A348-F421 WeakPolarHBondContact O-CE1 3.33Å
349N78.3Confident78.1Confident37 Ų3744.1 Ų44.120%0.19824%0.24CC..Hα-helixtrans-62.1-44.1175.2-72.8-35000112.2V336 N345 S346 L347 F352 E353V336-N349 WeakPolarHBondContact CG2-OD1 3.41Å; N345-N349 PolarHBondContact O-N 3.31Å; N345-N349 PolarHBondContact O-ND2 3.44Å; S346-N349 PolarHBondContact O-N 2.77Å; L347-N349 VanDerWaalsContact C-N 3.33Å; L347-N349 PolarHBondContact O-N 3.14Å; N349-F352 WeakPolarHBondContact O-CB 3.26Å; N349-F352 PolarHBondContact O-N 2.83Å; N349-E353 WeakPolarHBondContact O-CG 3.28Å; N349-E353 PolarHBondContact O-N 3.46Å
350E82.4Confident78Confident37 Ų3745.9 Ų45.917%0.17325%0.25CS..Hα-helixtrans-60.4-46.3177.1-77.2171.1-128.300111.8S346 L347 F352 E353 L354 V396 K399S346-E350 WeakPolarHBondContact O-CG 3.43Å; S346-E350 PolarHBondContact O-N 3.03Å; S346-E350 PolarHBondContact OG-OE1 2.94Å; L347-E350 PolarHBondContact O-N 3.36Å; E350-F352 VanDerWaalsContact C-N 3.3Å; E350-F352 PolarHBondContact O-N 2.87Å; E350-E353 PolarHBondContact O-N 3.19Å; E350-L354 WeakPolarHBondContact O-CB 3.37Å; E350-L354 VanDerWaalsContact O-CG 3.29Å; E350-L354 WeakPolarHBondContact O-CG 3.2Å; E350-L354 PolarHBondContact O-N 3.16Å; E350-L354 VanDerWaalsContact O-N 3.09Å; E350-V396 HydrophobicContact CB-CG2 3.87Å; E350-V396 WeakPolarHBondContact OE2-CG2 3.31Å; E350-K399 IonicContact OE1-NZ 2.98Å; E350-K399 PolarHBondContact OE1-NZ 3.19Å; E350-K399 IonicContact OE2-NZ 3.94Å; E350-K399 PolarHBondContact OE2-NZ 3.41Å
351I83.8Confident78Confident4 Ų443.2 Ų43.22%0.02124%0.236CC..Hα-helixtrans-62.3-42.6176-65.1165.1000110.1I341 L347 A348 L354 Q355 L358 V396 L400 F417 F421I341-I351 HydrophobicContact CD1-CD1 4.18Å; L347-I351 HydrophobicContact CD1-CD1 4.06Å; L347-I351 HydrophobicContact CD1-CG1 4.13Å; L347-I351 HydrophobicContact CD2-CD1 4.36Å; L347-I351 HydrophobicContact CG-CD1 3.78Å; L347-I351 HydrophobicContact CG-CG1 4.3Å; L347-I351 VanDerWaalsContact O-CG1 3.3Å; L347-I351 WeakPolarHBondContact O-CG1 3.46Å; L347-I351 PolarHBondContact O-N 2.8Å; A348-I351 PolarHBondContact O-N 3.26Å; I351-L354 CarbonylContact O-C 3.19Å; I351-L354 PolarHBondContact O-N 2.97Å; I351-Q355 PolarHBondContact O-N 3.28Å; I351-L358 HydrophobicContact CG2-CD1 4.11Å; I351-V396 HydrophobicContact CB-CG1 4.28Å; I351-V396 HydrophobicContact CD1-CG1 4.37Å; I351-V396 HydrophobicContact CG1-CG1 3.29Å; I351-L400 HydrophobicContact CD1-CB 4.34Å; I351-L400 HydrophobicContact CD1-CD1 4.06Å; I351-L400 HydrophobicContact CD1-CD2 4.16Å; I351-L400 HydrophobicContact CD1-CG 4.42Å; I351-F417 HydrophobicContact CD1-CE1 4.16Å; I351-F417 HydrophobicContact CD1-CZ 4.03Å; I351-F417 HydrophobicContact CG2-CE1 3.84Å; I351-F421 HydrophobicContact CB-CZ 4.29Å; I351-F421 HydrophobicContact CG2-CE2 4.47Å; I351-F421 HydrophobicContact CG2-CZ 4.08Å
352F80Confident77.9Confident5 Ų543.1 Ų43.12%0.02224%0.235CC..Hα-helixtrans-62.5-44.7-179.1-168.4-107.1000112.7V260 W263 Q264 V336 A348 N349 E350 L354 Q355 F421V260-F352 HydrophobicContact CB-CZ 4.36Å; V260-F352 HydrophobicContact CG1-CE2 3.34Å; V260-F352 HydrophobicContact CG1-CZ 3.43Å; V260-F352 VanDerWaalsContact CG1-CZ 3.43Å; V260-F352 WeakPolarHBondContact O-CZ 3.41Å; W263-F352 AromaticContact CD1-CE1 3.67Å; W263-F352 HydrophobicContact CG-CE1 4.46Å; Q264-F352 HydrophobicContact CB-CE1 4.33Å; Q264-F352 HydrophobicContact CB-CZ 4.46Å; Q264-F352 HydrophobicContact CG-CD1 4.27Å; Q264-F352 HydrophobicContact CG-CE1 3.32Å; Q264-F352 HydrophobicContact CG-CE2 3.98Å; Q264-F352 HydrophobicContact CG-CZ 3.18Å; V336-F352 HydrophobicContact CG1-CE1 4.19Å; V336-F352 HydrophobicContact CG1-CE2 4.48Å; V336-F352 HydrophobicContact CG1-CZ 4.12Å; V336-F352 HydrophobicContact CG2-CB 4.19Å; V336-F352 HydrophobicContact CG2-CD1 4.1Å; V336-F352 HydrophobicContact CG2-CD2 4.48Å; V336-F352 HydrophobicContact CG2-CG 4Å; A348-F352 WeakPolarHBondContact O-CB 3.48Å; A348-F352 PolarHBondContact O-N 3.12Å; N349-F352 WeakPolarHBondContact O-CB 3.26Å; N349-F352 PolarHBondContact O-N 2.83Å; E350-F352 VanDerWaalsContact C-N 3.3Å; E350-F352 PolarHBondContact O-N 2.87Å; F352-L354 VanDerWaalsContact C-N 3.32Å; F352-L354 PolarHBondContact O-N 3.35Å; F352-Q355 WeakPolarHBondContact O-CB 3.44Å; F352-Q355 PolarHBondContact O-N 2.88Å; F352-F421 HydrophobicContact CB-CD1 4.39Å; F352-F421 HydrophobicContact CB-CE1 3.83Å; F352-F421 HydrophobicContact CB-CZ 4.02Å; F352-F421 HydrophobicContact CD2-CB 4.3Å; F352-F421 AromaticContact CD2-CD1 3.65Å; F352-F421 HydrophobicContact CD2-CD1 3.65Å; F352-F421 AromaticContact CD2-CD2 3.91Å; F352-F421 HydrophobicContact CD2-CD2 3.91Å; F352-F421 AromaticContact CD2-CE1 3.85Å; F352-F421 HydrophobicContact CD2-CE1 3.85Å; F352-F421 HydrophobicContact CD2-CE2 4.1Å; F352-F421 AromaticContact CD2-CG 3.67Å; F352-F421 HydrophobicContact CD2-CG 3.67Å; F352-F421 HydrophobicContact CD2-CZ 4.06Å; F352-F421 HydrophobicContact CE2-CB 4.16Å; F352-F421 HydrophobicContact CE2-CD1 4.29Å; F352-F421 HydrophobicContact CE2-CD2 4.37Å; F352-F421 HydrophobicContact CE2-CG 4.01Å; F352-F421 HydrophobicContact CG-CD1 4.34Å; F352-F421 HydrophobicContact CG-CE1 4.25Å
353E78.8Confident78Confident72 Ų7247 Ų4734%0.33625%0.247SC..Hα-helixtrans-62.4-39.4174.3-75.2179.6-179.600111.9I267 N349 E350 Q355 P356 R392I267-E353 HydrophobicContact CG1-CG 4.19Å; I267-E353 HydrophobicContact CG2-CG 4.48Å; N349-E353 WeakPolarHBondContact O-CG 3.28Å; N349-E353 PolarHBondContact O-N 3.46Å; E350-E353 PolarHBondContact O-N 3.19Å; E353-Q355 VanDerWaalsContact C-N 3.35Å; E353-P356 WeakPolarHBondContact O-CD 3.49Å; E353-R392 IonicContact OE2-CZ 2.72Å; E353-R392 IonicContact OE2-NH2 3.75Å; E353-R392 PolarHBondContact OE2-NH2 2.93Å
354L80.2Confident78.1Confident3 Ų343.4 Ų43.42%0.01624%0.238CC..Hα-helixtrans-85.1-2.1-177-65.9175000114.4E350 I351 F352 P356 H357 L358 R392 L393 V396E350-L354 WeakPolarHBondContact O-CB 3.37Å; E350-L354 VanDerWaalsContact O-CG 3.29Å; E350-L354 WeakPolarHBondContact O-CG 3.2Å; E350-L354 PolarHBondContact O-N 3.16Å; E350-L354 VanDerWaalsContact O-N 3.09Å; I351-L354 CarbonylContact O-C 3.19Å; I351-L354 PolarHBondContact O-N 2.97Å; F352-L354 VanDerWaalsContact C-N 3.32Å; F352-L354 PolarHBondContact O-N 3.35Å; L354-P356 VanDerWaalsContact C-CD 3.42Å; L354-P356 VanDerWaalsContact C-N 3.34Å; L354-H357 WeakPolarHBondContact O-CA 3.22Å; L354-H357 WeakPolarHBondContact O-CB 3.4Å; L354-H357 PolarHBondContact O-N 3.38Å; L354-L358 PolarHBondContact O-N 3.41Å; L354-R392 HydrophobicContact CD1-CG 4.13Å; L354-L393 HydrophobicContact CB-CD1 4.12Å; L354-L393 HydrophobicContact CD1-CB 4.46Å; L354-L393 HydrophobicContact CD1-CD1 3.99Å; L354-V396 HydrophobicContact CD1-CB 4.18Å; L354-V396 HydrophobicContact CD1-CG1 4.41Å; L354-V396 HydrophobicContact CD1-CG2 3.78Å
355Q77.2Confident78.2Confident30 Ų3041.2 Ų41.214%0.1423%0.232CC..Hα-helixtrans-48.2-45.2-179.1172.6179.32.400114.2I351 F352 E353 H357 L358 L359 L418I351-Q355 PolarHBondContact O-N 3.28Å; F352-Q355 WeakPolarHBondContact O-CB 3.44Å; F352-Q355 PolarHBondContact O-N 2.88Å; E353-Q355 VanDerWaalsContact C-N 3.35Å; Q355-H357 VanDerWaalsContact C-N 3.28Å; Q355-H357 PolarHBondContact O-N 3.34Å; Q355-L358 WeakPolarHBondContact O-CB 3.04Å; Q355-L358 PolarHBondContact O-N 2.96Å; Q355-L359 HydrophobicContact CG-CD1 4.12Å; Q355-L359 WeakPolarHBondContact O-CG 3.3Å; Q355-L359 PolarHBondContact O-N 3.01Å; Q355-L418 HydrophobicContact CB-CD2 4.01Å; Q355-L418 HydrophobicContact CG-CD1 3.69Å; Q355-L418 HydrophobicContact CG-CD2 3.63Å; Q355-L418 HydrophobicContact CG-CG 4.21Å
356P74.9Confident78.5Confident46 Ų4647.6 Ų47.630%0.29926%0.26SS..Hα-helixtrans-63.4-34.6178.8-21.534.2000112.8R268 E353 L354 T360R268-P356 VanDerWaalsContact NH2-CG 3.28Å; E353-P356 WeakPolarHBondContact O-CD 3.49Å; L354-P356 VanDerWaalsContact C-CD 3.42Å; L354-P356 VanDerWaalsContact C-N 3.34Å; P356-T360 WeakPolarHBondContact O-CB 3.37Å; P356-T360 PolarHBondContact O-N 2.99Å; P356-T360 VanDerWaalsContact O-N 3.07Å; P356-T360 PolarHBondContact O-OG1 2.95Å
357H77.2Confident78.7Confident79 Ų7946 Ų4637%0.36624%0.244SC..Hα-helixtrans-71.2-42.1176.5-61.1-66.2000110.8L354 Q355 L359 T360 I361L354-H357 WeakPolarHBondContact O-CA 3.22Å; L354-H357 WeakPolarHBondContact O-CB 3.4Å; L354-H357 PolarHBondContact O-N 3.38Å; Q355-H357 VanDerWaalsContact C-N 3.28Å; Q355-H357 PolarHBondContact O-N 3.34Å; H357-L359 PolarHBondContact O-N 3.11Å; H357-T360 PolarHBondContact O-N 3.43Å; H357-I361 WeakPolarHBondContact O-CB 3.42Å; H357-I361 VanDerWaalsContact O-CG1 3.3Å; H357-I361 WeakPolarHBondContact O-CG1 3.45Å; H357-I361 PolarHBondContact O-N 2.84Å
358L78.5Confident78.6Confident8 Ų852.8 Ų52.84%0.04227%0.273CS..Hα-helixtrans-55-51.7172.7-85.6162.3000111.6I351 L354 Q355 T360 I361 F362 L393 V397I351-L358 HydrophobicContact CG2-CD1 4.11Å; L354-L358 PolarHBondContact O-N 3.41Å; Q355-L358 WeakPolarHBondContact O-CB 3.04Å; Q355-L358 PolarHBondContact O-N 2.96Å; L358-T360 PolarHBondContact O-N 2.94Å; L358-I361 PolarHBondContact O-N 3.22Å; L358-F362 HydrophobicContact CD2-CD2 4.43Å; L358-F362 HydrophobicContact CD2-CE2 3.71Å; L358-F362 HydrophobicContact CD2-CZ 4.36Å; L358-F362 WeakPolarHBondContact O-CB 3.12Å; L358-F362 WeakPolarHBondContact O-CD2 3.49Å; L358-F362 PolarHBondContact O-N 3.13Å; L358-L393 HydrophobicContact CD1-CD1 4.04Å; L358-L393 HydrophobicContact CD2-CD1 3.68Å; L358-L393 HydrophobicContact CD2-CD2 3.93Å; L358-L393 HydrophobicContact CD2-CG 4.24Å; L358-L393 HydrophobicContact CG-CD1 3.54Å; L358-L393 HydrophobicContact CG-CD2 4.1Å; L358-L393 HydrophobicContact CG-CG 4.43Å; L358-V397 HydrophobicContact CD2-CG2 4.34Å
359L75.9Confident78.3Confident55 Ų5554.8 Ų54.829%0.28829%0.286SS..Hα-helixtrans-60.7-45179.7-71.6170.9000111.8Q355 H357 I361 F362 Q363 L414 L418Q355-L359 HydrophobicContact CG-CD1 4.12Å; Q355-L359 WeakPolarHBondContact O-CG 3.3Å; Q355-L359 PolarHBondContact O-N 3.01Å; H357-L359 PolarHBondContact O-N 3.11Å; L359-I361 PolarHBondContact O-N 3.17Å; L359-F362 PolarHBondContact O-N 3.45Å; L359-Q363 WeakPolarHBondContact O-CB 3.5Å; L359-Q363 VanDerWaalsContact O-CG 3.29Å; L359-Q363 WeakPolarHBondContact O-CG 3.27Å; L359-Q363 PolarHBondContact O-N 2.86Å; L359-L414 HydrophobicContact CD2-CD2 4.13Å; L359-L418 HydrophobicContact CD2-CD1 4Å; L359-L418 HydrophobicContact CG-CD1 4.2Å
360T77.3Confident78.4Confident85 Ų8557.5 Ų57.552%0.52130%0.301SS..Hα-helixtrans-60-45.9177-56.60000111.6P356 H357 L358 Q363 A364P356-T360 WeakPolarHBondContact O-CB 3.37Å; P356-T360 PolarHBondContact O-N 2.99Å; P356-T360 VanDerWaalsContact O-N 3.07Å; P356-T360 PolarHBondContact O-OG1 2.95Å; H357-T360 PolarHBondContact O-N 3.43Å; L358-T360 PolarHBondContact O-N 2.94Å; T360-Q363 PolarHBondContact O-N 3.22Å; T360-A364 VanDerWaalsContact O-CB 3.31Å; T360-A364 WeakPolarHBondContact O-CB 3.33Å; T360-A364 PolarHBondContact O-N 3.48Å
361I78.7Confident78.6Confident26 Ų2660 Ų6013%0.13332%0.315CS..Hα-helixtrans-67.6-39.6-179.3-72.5164.9000111.1H357 L358 L359 Q363 A364 C365 L377 L381 I390 L393H357-I361 WeakPolarHBondContact O-CB 3.42Å; H357-I361 VanDerWaalsContact O-CG1 3.3Å; H357-I361 WeakPolarHBondContact O-CG1 3.45Å; H357-I361 PolarHBondContact O-N 2.84Å; L358-I361 PolarHBondContact O-N 3.22Å; L359-I361 PolarHBondContact O-N 3.17Å; I361-Q363 VanDerWaalsContact C-N 3.34Å; I361-A364 PolarHBondContact O-N 3.26Å; I361-C365 VanDerWaalsContact O-CB 3.25Å; I361-C365 WeakPolarHBondContact O-CB 3.39Å; I361-C365 PolarHBondContact O-N 3Å; I361-C365 PolarHBondContact O-SG 3.16Å; I361-C365 VanDerWaalsContact O-SG 3.35Å; I361-L377 HydrophobicContact CG2-CD1 4.4Å; I361-L381 HydrophobicContact CD1-CD2 3.95Å; I361-L381 HydrophobicContact CG2-CD2 4Å; I361-I390 HydrophobicContact CD1-CG1 4.26Å; I361-L393 HydrophobicContact CD1-CD2 3.39Å
362F76.9Confident78.7Confident2 Ų259.8 Ų59.81%0.00931%0.314CS..Hα-helixtrans-63.9-42.9178-84.1-135.7000111L358 L359 H366 F367 V372 L377 L414L358-F362 HydrophobicContact CD2-CD2 4.43Å; L358-F362 HydrophobicContact CD2-CE2 3.71Å; L358-F362 HydrophobicContact CD2-CZ 4.36Å; L358-F362 WeakPolarHBondContact O-CB 3.12Å; L358-F362 WeakPolarHBondContact O-CD2 3.49Å; L358-F362 PolarHBondContact O-N 3.13Å; L359-F362 PolarHBondContact O-N 3.45Å; F362-H366 PolarHBondContact O-N 3.49Å; F362-F367 HydrophobicContact CB-CB 4.24Å; F362-F367 HydrophobicContact CD1-CB 3.99Å; F362-F367 HydrophobicContact CG-CB 4.1Å; F362-F367 PolarHBondContact O-N 2.9Å; F362-V372 HydrophobicContact CD1-CG2 3.77Å; F362-V372 HydrophobicContact CE1-CB 3.94Å; F362-V372 HydrophobicContact CE1-CG1 3.98Å; F362-V372 HydrophobicContact CE1-CG2 3.3Å; F362-V372 HydrophobicContact CZ-CB 4.38Å; F362-V372 HydrophobicContact CZ-CG1 4Å; F362-V372 HydrophobicContact CZ-CG2 4.17Å; F362-L377 HydrophobicContact CD2-CD1 4.23Å; F362-L377 HydrophobicContact CE2-CD1 3.7Å; F362-L377 HydrophobicContact CE2-CD2 3.42Å; F362-L377 VanDerWaalsContact CE2-CD2 3.42Å; F362-L377 HydrophobicContact CE2-CG 4.21Å; F362-L377 HydrophobicContact CZ-CD1 4.46Å; F362-L377 HydrophobicContact CZ-CD2 3.59Å; F362-L414 HydrophobicContact CD1-CB 4.29Å; F362-L414 HydrophobicContact CD1-CD2 3.43Å; F362-L414 VanDerWaalsContact CD1-CD2 3.43Å; F362-L414 HydrophobicContact CD1-CG 4.44Å; F362-L414 HydrophobicContact CD2-CD2 4.24Å; F362-L414 HydrophobicContact CE1-CB 3.69Å; F362-L414 HydrophobicContact CE1-CD2 3.38Å; F362-L414 HydrophobicContact CE1-CG 4.02Å; F362-L414 HydrophobicContact CE2-CD2 4.21Å; F362-L414 HydrophobicContact CG-CD2 3.86Å; F362-L414 HydrophobicContact CZ-CB 4.37Å; F362-L414 HydrophobicContact CZ-CD1 4.48Å; F362-L414 HydrophobicContact CZ-CD2 3.8Å; F362-L414 HydrophobicContact CZ-CG 4.43Å
363Q73Confident79.3Confident147 Ų14761.5 Ų61.569%0.68732%0.324SS*.Hα-helixtrans-62.5-48.1173.8-72.7174.8-8.800111.7L359 T360 I361 C365 H366L359-Q363 WeakPolarHBondContact O-CB 3.5Å; L359-Q363 VanDerWaalsContact O-CG 3.29Å; L359-Q363 WeakPolarHBondContact O-CG 3.27Å; L359-Q363 PolarHBondContact O-N 2.86Å; T360-Q363 PolarHBondContact O-N 3.22Å; I361-Q363 VanDerWaalsContact C-N 3.34Å; Q363-C365 PolarHBondContact O-N 2.89Å; Q363-H366 PolarHBondContact O-N 3.24Å
364A77.4Confident79.9Confident72 Ų7258.1 Ų58.160%0.59531%0.308SS*.Hα-helixtrans-67.4-32.7-178.200000113.4T360 I361T360-A364 VanDerWaalsContact O-CB 3.31Å; T360-A364 WeakPolarHBondContact O-CB 3.33Å; T360-A364 PolarHBondContact O-N 3.48Å; I361-A364 PolarHBondContact O-N 3.26Å
365C78.4Confident80.5Confident42 Ų4263.8 Ų63.828%0.28433%0.33SS..THydrogen-bonded Turntrans-93.56.3-179.9-63.10000113.5I361 Q363 F367I361-C365 VanDerWaalsContact O-CB 3.25Å; I361-C365 WeakPolarHBondContact O-CB 3.39Å; I361-C365 PolarHBondContact O-N 3Å; I361-C365 PolarHBondContact O-SG 3.16Å; I361-C365 VanDerWaalsContact O-SG 3.35Å; Q363-C365 PolarHBondContact O-N 2.89Å; C365-F367 HydrophobicContact CB-CD2 3.53Å; C365-F367 HydrophobicContact CB-CE2 3.56Å; C365-F367 PolarHBondContact O-N 3.47Å
366H78.7Confident81.1Confident170 Ų17065.2 Ų65.279%0.78734%0.344SS*.THydrogen-bonded Turntrans5630.9-177.6-53.2-64.9000114.3F362 Q363F362-H366 PolarHBondContact O-N 3.49Å; Q363-H366 PolarHBondContact O-N 3.24Å
367F81.2Confident81.8Confident43 Ų4363.1 Ų63.119%0.18933%0.33CS..  trans-71.8137.6169.5-74.1-66.7000109.6F362 C365 P369 V372 L377 K380F362-F367 HydrophobicContact CB-CB 4.24Å; F362-F367 HydrophobicContact CD1-CB 3.99Å; F362-F367 HydrophobicContact CG-CB 4.1Å; F362-F367 PolarHBondContact O-N 2.9Å; C365-F367 HydrophobicContact CB-CD2 3.53Å; C365-F367 HydrophobicContact CB-CE2 3.56Å; C365-F367 PolarHBondContact O-N 3.47Å; F367-P369 VanDerWaalsContact O-CD 3.31Å; F367-P369 WeakPolarHBondContact O-CD 3.3Å; F367-V372 HydrophobicContact CB-CG2 3.9Å; F367-V372 HydrophobicContact CD1-CG1 3.97Å; F367-V372 HydrophobicContact CD1-CG2 4.44Å; F367-V372 HydrophobicContact CE1-CG1 4.37Å; F367-V372 HydrophobicContact CG-CG1 4.31Å; F367-V372 HydrophobicContact CG-CG2 4.44Å; F367-L377 HydrophobicContact CD2-CD1 4.15Å; F367-L377 HydrophobicContact CE2-CD1 3.72Å; F367-L377 HydrophobicContact CZ-CB 4.35Å; F367-L377 HydrophobicContact CZ-CD1 4.33Å; F367-K380 HydrophobicContact CE2-CB 4.47Å; F367-K380 HydrophobicContact CE2-CG 4.48Å; F367-K380 HydrophobicContact CZ-CB 4.38Å
368K81Confident82.5Confident145 Ų14560.4 Ų60.463%0.6332%0.319SS*.BIsolated β-bridgetrans-78113.6172-67.4-175.6-179.6179.30108.2N370 N371 V372K368-N370 PolarHBondContact O-N 3.44Å; K368-N371 CarbonylContact O-C 3.24Å; K368-N371 VanDerWaalsContact O-C 3.24Å; K368-N371 PolarHBondContact O-N 3.48Å; K368-N371 VanDerWaalsContact O-O 3.1Å; K368-V372 WeakPolarHBondContact O-CG2 3.39Å
369P75Confident83.1Confident43 Ų4362.9 Ų62.928%0.27934%0.34SS..THydrogen-bonded Turntrans-58.6-26.9-171.9-25.535000114.3F367 N413 L414 D415F367-P369 VanDerWaalsContact O-CD 3.31Å; F367-P369 WeakPolarHBondContact O-CD 3.3Å; P369-N413 CarbonylContact O-C 3.54Å; P369-L414 WeakPolarHBondContact O-CB 3.3Å; P369-L414 PolarHBondContact O-N 3.35Å; P369-D415 WeakPolarHBondContact CB-OD1 3.32Å
370N80.7Confident83.7Confident94 Ų9465.5 Ų65.550%0.50335%0.349SS..THydrogen-bonded Turntrans-83.5-6.9177.862.5-11.9000114.7K368K368-N370 PolarHBondContact O-N 3.44Å
371N85.2Confident84.3Confident88 Ų8861.6 Ų61.647%0.47133%0.325SS..BIsolated β-bridgetrans-157.194.3-179.4-174.816.5000111.3K368 S411 F412K368-N371 CarbonylContact O-C 3.24Å; K368-N371 VanDerWaalsContact O-C 3.24Å; K368-N371 PolarHBondContact O-N 3.48Å; K368-N371 VanDerWaalsContact O-O 3.1Å; N371-S411 VanDerWaalsContact OD1-CA 3.26Å; N371-S411 WeakPolarHBondContact OD1-CA 3.45Å; N371-S411 WeakPolarHBondContact OD1-CB 3.4Å; N371-F412 CarbonylContact C-O 3.53Å; N371-F412 WeakPolarHBondContact CA-O 3.07Å
372V87.4Confident84.9Confident1 Ų165.6 Ų65.61%0.00634%0.343CS..BIsolated β-bridgetrans-124.9130.8-179.6179.20000111F362 F367 K368 L374 L377 F412F362-V372 HydrophobicContact CD1-CG2 3.77Å; F362-V372 HydrophobicContact CE1-CB 3.94Å; F362-V372 HydrophobicContact CE1-CG1 3.98Å; F362-V372 HydrophobicContact CE1-CG2 3.3Å; F362-V372 HydrophobicContact CZ-CB 4.38Å; F362-V372 HydrophobicContact CZ-CG1 4Å; F362-V372 HydrophobicContact CZ-CG2 4.17Å; F367-V372 HydrophobicContact CB-CG2 3.9Å; F367-V372 HydrophobicContact CD1-CG1 3.97Å; F367-V372 HydrophobicContact CD1-CG2 4.44Å; F367-V372 HydrophobicContact CE1-CG1 4.37Å; F367-V372 HydrophobicContact CG-CG1 4.31Å; F367-V372 HydrophobicContact CG-CG2 4.44Å; K368-V372 WeakPolarHBondContact O-CG2 3.39Å; V372-L374 PolarHBondContact O-N 3.44Å; V372-L377 HydrophobicContact CG1-CB 4.24Å; V372-F412 HydrophobicContact CB-CB 4.48Å; V372-F412 PolarHBondContact N-O 2.99Å; V372-F412 WeakPolarHBondContact O-CA 3.48Å; V372-F412 WeakPolarHBondContact O-CB 3.42Å; V372-F412 PolarHBondContact O-N 3.42Å
373N91.2Very high85.4Confident40 Ų4069.4 Ų69.421%0.21437%0.371CS..  trans-79.6113.6165.8-177.4-42.6000108.9Y375 S376 L377 M410N373-Y375 VanDerWaalsContact C-N 3.29Å; N373-Y375 PolarHBondContact O-N 2.96Å; N373-Y375 WeakPolarHBondContact OD1-CA 3.48Å; N373-Y375 WeakPolarHBondContact OD1-CB 3.32Å; N373-Y375 PolarHBondContact OD1-N 3.16Å; N373-S376 WeakPolarHBondContact O-CB 3.45Å; N373-S376 PolarHBondContact O-N 2.99Å; N373-S376 PolarHBondContact OD1-N 2.98Å; N373-S376 VanDerWaalsContact OD1-N 3.13Å; N373-L377 PolarHBondContact O-N 3.23Å; N373-M410 WeakPolarHBondContact ND2-CE 3.39Å; N373-M410 PolarHBondContact ND2-SD 3.2Å; N373-M410 VanDerWaalsContact ND2-SD 3.4Å
374L91.5Very high86Confident2 Ų263.4 Ų63.41%0.0135%0.346CS..Hα-helixtrans-66.8-28.7-176.7-63.6-179000113V372 L377 V378 V397 L400 I401 L404 I409 F412V372-L374 PolarHBondContact O-N 3.44Å; L374-L377 HydrophobicContact CD2-CD2 4.1Å; L374-L377 WeakPolarHBondContact O-CB 3.45Å; L374-L377 PolarHBondContact O-N 3.12Å; L374-V378 WeakPolarHBondContact O-CG2 3.41Å; L374-V378 PolarHBondContact O-N 3.16Å; L374-V397 HydrophobicContact CB-CG1 4.48Å; L374-V397 HydrophobicContact CD2-CG1 4.33Å; L374-L400 HydrophobicContact CD1-CD2 4.41Å; L374-I401 HydrophobicContact CB-CD1 3.79Å; L374-I401 HydrophobicContact CB-CG1 3.66Å; L374-I401 HydrophobicContact CD1-CG1 3.99Å; L374-I401 HydrophobicContact CG-CG1 4.49Å; L374-L404 HydrophobicContact CD1-CD1 3.83Å; L374-I409 HydrophobicContact CB-CG2 4.25Å; L374-I409 PolarHBondContact N-O 3.13Å; L374-F412 HydrophobicContact CD1-CB 4.17Å; L374-F412 HydrophobicContact CD1-CD2 3.89Å; L374-F412 HydrophobicContact CD1-CE2 4.41Å; L374-F412 HydrophobicContact CD1-CG 4.01Å; L374-F412 HydrophobicContact CD2-CB 3.79Å; L374-F412 HydrophobicContact CD2-CD1 3.75Å; L374-F412 HydrophobicContact CD2-CD2 4.41Å; L374-F412 HydrophobicContact CD2-CE1 4.37Å; L374-F412 HydrophobicContact CD2-CG 3.73Å; L374-F412 HydrophobicContact CG-CB 3.75Å; L374-F412 HydrophobicContact CG-CD1 4.5Å; L374-F412 HydrophobicContact CG-CD2 4.37Å; L374-F412 HydrophobicContact CG-CG 3.98Å
375Y93.1Very high86.4Confident121 Ų12163.2 Ų63.248%0.47534%0.335SS..Hα-helixtrans-66.2-43.3172.8-65.9-63.6000111.3N373 L377 V378 A379 I401 I409 M410N373-Y375 VanDerWaalsContact C-N 3.29Å; N373-Y375 PolarHBondContact O-N 2.96Å; N373-Y375 WeakPolarHBondContact OD1-CA 3.48Å; N373-Y375 WeakPolarHBondContact OD1-CB 3.32Å; N373-Y375 PolarHBondContact OD1-N 3.16Å; Y375-L377 VanDerWaalsContact C-N 3.27Å; Y375-L377 PolarHBondContact O-N 3.49Å; Y375-V378 PolarHBondContact O-N 3.27Å; Y375-A379 PolarHBondContact O-N 2.87Å; Y375-I401 HydrophobicContact CD1-CD1 4.11Å; Y375-I401 HydrophobicContact CD1-CG2 4.49Å; Y375-I401 HydrophobicContact CE1-CD1 4.32Å; Y375-I401 HydrophobicContact CE1-CG2 3.7Å; Y375-I409 HydrophobicContact CD2-CG2 3.64Å; Y375-I409 HydrophobicContact CE2-CG2 3.36Å; Y375-I409 HydrophobicContact CG-CG2 4.42Å; Y375-M410 HydrophobicContact CD2-SD 4.4Å
376S90Very high86.9Confident61 Ų6170.4 Ų70.443%0.42736%0.358SS..Hα-helixtrans-61.2-38.6174-58.50000111.8N373 K380N373-S376 WeakPolarHBondContact O-CB 3.45Å; N373-S376 PolarHBondContact O-N 2.99Å; N373-S376 PolarHBondContact OD1-N 2.98Å; N373-S376 VanDerWaalsContact OD1-N 3.13Å; S376-K380 WeakPolarHBondContact O-CB 3.3Å; S376-K380 PolarHBondContact O-N 2.94Å
377L90.1Very high87.3Confident1 Ų165.8 Ų65.81%0.00534%0.338CS..Hα-helixtrans-62.9-49.4174.7176.264.1000111.5I361 F362 F367 V372 N373 L374 Y375 A379 K380 L381 V397I361-L377 HydrophobicContact CG2-CD1 4.4Å; F362-L377 HydrophobicContact CD2-CD1 4.23Å; F362-L377 HydrophobicContact CE2-CD1 3.7Å; F362-L377 HydrophobicContact CE2-CD2 3.42Å; F362-L377 VanDerWaalsContact CE2-CD2 3.42Å; F362-L377 HydrophobicContact CE2-CG 4.21Å; F362-L377 HydrophobicContact CZ-CD1 4.46Å; F362-L377 HydrophobicContact CZ-CD2 3.59Å; F367-L377 HydrophobicContact CD2-CD1 4.15Å; F367-L377 HydrophobicContact CE2-CD1 3.72Å; F367-L377 HydrophobicContact CZ-CB 4.35Å; F367-L377 HydrophobicContact CZ-CD1 4.33Å; V372-L377 HydrophobicContact CG1-CB 4.24Å; N373-L377 PolarHBondContact O-N 3.23Å; L374-L377 HydrophobicContact CD2-CD2 4.1Å; L374-L377 WeakPolarHBondContact O-CB 3.45Å; L374-L377 PolarHBondContact O-N 3.12Å; Y375-L377 VanDerWaalsContact C-N 3.27Å; Y375-L377 PolarHBondContact O-N 3.49Å; L377-A379 PolarHBondContact O-N 3.22Å; L377-K380 WeakPolarHBondContact O-CB 3.42Å; L377-K380 PolarHBondContact O-N 2.98Å; L377-K380 VanDerWaalsContact O-N 3.11Å; L377-L381 HydrophobicContact CD1-CD1 4.23Å; L377-L381 HydrophobicContact CD1-CG 4.18Å; L377-L381 HydrophobicContact CG-CD1 4.01Å; L377-L381 HydrophobicContact CG-CG 4.37Å; L377-L381 VanDerWaalsContact O-CG 3.29Å; L377-L381 WeakPolarHBondContact O-CG 3.19Å; L377-L381 PolarHBondContact O-N 3.36Å; L377-V397 HydrophobicContact CD2-CG1 3.95Å; L377-V397 HydrophobicContact CD2-CG2 4.08Å; L377-V397 HydrophobicContact CG-CG1 4.49Å
378V92Very high87.6Confident23 Ų2369.3 Ų69.314%0.13936%0.363CS..Hα-helixtrans-59-45.6178.5169.20000111.4L374 Y375 K380 L381 E382 K394 V397 I401L374-V378 WeakPolarHBondContact O-CG2 3.41Å; L374-V378 PolarHBondContact O-N 3.16Å; Y375-V378 PolarHBondContact O-N 3.27Å; V378-K380 VanDerWaalsContact C-N 3.25Å; V378-K380 PolarHBondContact O-N 3.4Å; V378-L381 PolarHBondContact O-N 2.93Å; V378-E382 WeakPolarHBondContact O-CB 3.41Å; V378-E382 PolarHBondContact O-N 3.42Å; V378-K394 HydrophobicContact CG1-CG 4.28Å; V378-V397 HydrophobicContact CG2-CB 4.09Å; V378-V397 HydrophobicContact CG2-CG1 3.56Å; V378-I401 HydrophobicContact CG2-CD1 3.65Å
379A90.8Very high87.7Confident60 Ų6066 Ų6650%0.49635%0.35SS..Hα-helixtrans-60.3-36.4176.600000112.1Y375 L377 S383Y375-A379 PolarHBondContact O-N 2.87Å; L377-A379 PolarHBondContact O-N 3.22Å; A379-S383 PolarHBondContact O-N 3.43Å
380K88Confident88.2Confident109 Ų10965.4 Ų65.447%0.47434%0.344SS..Hα-helixtrans-69.8-42.9175.9-165.568.7175.9-178.60111.9F367 S376 L377 V378 E382 S383F367-K380 HydrophobicContact CE2-CB 4.47Å; F367-K380 HydrophobicContact CE2-CG 4.48Å; F367-K380 HydrophobicContact CZ-CB 4.38Å; S376-K380 WeakPolarHBondContact O-CB 3.3Å; S376-K380 PolarHBondContact O-N 2.94Å; L377-K380 WeakPolarHBondContact O-CB 3.42Å; L377-K380 PolarHBondContact O-N 2.98Å; L377-K380 VanDerWaalsContact O-N 3.11Å; V378-K380 VanDerWaalsContact C-N 3.25Å; V378-K380 PolarHBondContact O-N 3.4Å; K380-E382 VanDerWaalsContact C-N 3.28Å; K380-E382 PolarHBondContact O-N 3.18Å; K380-S383 PolarHBondContact O-N 3.01Å; K380-S383 PolarHBondContact O-OG 3.1Å
381L90.6Very high88.6Confident4 Ų462.2 Ų62.22%0.02133%0.331CS..Hα-helixtrans-62.9-36.2176.3-65.5172.2000111.6I361 L377 V378 S383 A384 D385 I390 L393 K394 V397I361-L381 HydrophobicContact CD1-CD2 3.95Å; I361-L381 HydrophobicContact CG2-CD2 4Å; L377-L381 HydrophobicContact CD1-CD1 4.23Å; L377-L381 HydrophobicContact CD1-CG 4.18Å; L377-L381 HydrophobicContact CG-CD1 4.01Å; L377-L381 HydrophobicContact CG-CG 4.37Å; L377-L381 VanDerWaalsContact O-CG 3.29Å; L377-L381 WeakPolarHBondContact O-CG 3.19Å; L377-L381 PolarHBondContact O-N 3.36Å; V378-L381 PolarHBondContact O-N 2.93Å; L381-S383 VanDerWaalsContact C-N 3.31Å; L381-S383 PolarHBondContact O-N 3.05Å; L381-A384 CarbonylContact O-C 3.42Å; L381-A384 PolarHBondContact O-N 3.4Å; L381-D385 PolarHBondContact O-N 2.96Å; L381-D385 VanDerWaalsContact O-N 3.14Å; L381-I390 HydrophobicContact CB-CG2 4.12Å; L381-I390 HydrophobicContact CD2-CG2 3.83Å; L381-I390 WeakPolarHBondContact O-CG2 3.46Å; L381-L393 HydrophobicContact CD1-CD2 4.24Å; L381-L393 HydrophobicContact CD1-CG 4.04Å; L381-L393 HydrophobicContact CD2-CD2 3.92Å; L381-L393 HydrophobicContact CD2-CG 4.45Å; L381-K394 HydrophobicContact CB-CB 4.08Å; L381-K394 HydrophobicContact CB-CG 4.35Å; L381-K394 HydrophobicContact CD1-CB 4.48Å; L381-V397 HydrophobicContact CD1-CB 4.5Å; L381-V397 HydrophobicContact CD1-CG2 4.16Å
382E91.6Very high88.8Confident109 Ų10962.6 Ų62.651%0.50933%0.326SS..Hα-helixtrans-60.9-37.7177.2-173.9154.8-128.800112.7V378 K380 A384 D385 K394V378-E382 WeakPolarHBondContact O-CB 3.41Å; V378-E382 PolarHBondContact O-N 3.42Å; K380-E382 VanDerWaalsContact C-N 3.28Å; K380-E382 PolarHBondContact O-N 3.18Å; E382-A384 PolarHBondContact O-N 3.27Å; E382-A384 VanDerWaalsContact O-N 3.09Å; E382-D385 PolarHBondContact O-N 3.41Å; E382-K394 HydrophobicContact CB-CD 3.98Å; E382-K394 HydrophobicContact CG-CD 4.44Å; E382-K394 IonicContact OE1-NZ 2.73Å
383S87.6Confident88.8Confident83 Ų8362.6 Ų62.658%0.5833%0.326SS*.THydrogen-bonded Turntrans-65.9-11.4175.271.10000114.6A379 K380 L381A379-S383 PolarHBondContact O-N 3.43Å; K380-S383 PolarHBondContact O-N 3.01Å; K380-S383 PolarHBondContact O-OG 3.1Å; L381-S383 VanDerWaalsContact C-N 3.31Å; L381-S383 PolarHBondContact O-N 3.05Å
384A85.3Confident88.8Confident21 Ų2162.6 Ų62.617%0.17432%0.324CS..THydrogen-bonded Turntrans-128.718.4-176.300000113.5L381 E382 Y386 N387 I390L381-A384 CarbonylContact O-C 3.42Å; L381-A384 PolarHBondContact O-N 3.4Å; E382-A384 PolarHBondContact O-N 3.27Å; E382-A384 VanDerWaalsContact O-N 3.09Å; A384-Y386 HydrophobicContact CB-CE1 4.24Å; A384-Y386 PolarHBondContact O-N 3.46Å; A384-N387 PolarHBondContact O-N 3.09Å; A384-I390 HydrophobicContact CB-CD1 3.78Å; A384-I390 HydrophobicContact CB-CG2 4.05Å; A384-I390 WeakPolarHBondContact O-CB 3.45Å; A384-I390 WeakPolarHBondContact O-CG2 3.19Å
385D85.7Confident88.8Confident67 Ų6767 Ų6736%0.35835%0.346SS..THydrogen-bonded Turntrans-74.6-3.2-173.275.8-7.3000114.8L381 E382 N387 A391 K394L381-D385 PolarHBondContact O-N 2.96Å; L381-D385 VanDerWaalsContact O-N 3.14Å; E382-D385 PolarHBondContact O-N 3.41Å; D385-N387 PolarHBondContact O-N 3.21Å; D385-A391 HydrophobicContact CB-CB 4.3Å; D385-A391 WeakPolarHBondContact O-CB 3.42Å; D385-K394 IonicContact OD2-NZ 2.8Å; D385-K394 PolarHBondContact OD2-NZ 3.3Å
386Y88.9Confident88.7Confident194 Ų19461.3 Ų61.376%0.76132%0.324SS*.THydrogen-bonded Turntrans-60.6-21.916661.4-95.5000112.4A384A384-Y386 HydrophobicContact CB-CE1 4.24Å; A384-Y386 PolarHBondContact O-N 3.46Å
387N87Confident88.7Confident72 Ų7258.6 Ų58.639%0.38531%0.305SS..SBendtrans-84.2122.5170.2-177.4-61.7000110.2A384 D385 Q389 I390 A391A384-N387 PolarHBondContact O-N 3.09Å; D385-N387 PolarHBondContact O-N 3.21Å; N387-Q389 VanDerWaalsContact C-N 3.26Å; N387-Q389 PolarHBondContact O-N 3.4Å; N387-Q389 VanDerWaalsContact O-N 3.16Å; N387-Q389 WeakPolarHBondContact OD1-CB 3.26Å; N387-Q389 PolarHBondContact OD1-N 2.93Å; N387-I390 HydrophobicContact CB-CB 4.01Å; N387-I390 HydrophobicContact CB-CD1 3.86Å; N387-I390 HydrophobicContact CB-CG1 3.85Å; N387-I390 WeakPolarHBondContact O-CA 3.37Å; N387-I390 WeakPolarHBondContact O-CB 3.4Å; N387-I390 PolarHBondContact O-N 3.47Å; N387-I390 PolarHBondContact OD1-N 3.5Å; N387-A391 PolarHBondContact O-N 2.89Å
388V86.7Confident88.8Confident117 Ų11760.6 Ų60.671%0.70932%0.319SS*.Hα-helixtrans-53.9-39.1-177.1177.30000113.1R392V388-R392 WeakPolarHBondContact O-CB 3.46Å; V388-R392 PolarHBondContact O-N 3.27Å
389Q82.8Confident88.9Confident75 Ų7563.4 Ų63.435%0.3533%0.329SS..Hα-helixtrans-72.6-35.2178.8-61.2-61.7-1500111.8N387 L393N387-Q389 VanDerWaalsContact C-N 3.26Å; N387-Q389 PolarHBondContact O-N 3.4Å; N387-Q389 VanDerWaalsContact O-N 3.16Å; N387-Q389 WeakPolarHBondContact OD1-CB 3.26Å; N387-Q389 PolarHBondContact OD1-N 2.93Å; Q389-L393 WeakPolarHBondContact O-CB 3.39Å; Q389-L393 PolarHBondContact O-N 3.43Å
390I85.7Confident88.8Confident32 Ų3260.9 Ų60.916%0.16431%0.308CS..Hα-helixtrans-69.2-41.8174.9-61.7-176.9000110.4I361 L381 A384 N387 L393 K394I361-I390 HydrophobicContact CD1-CG1 4.26Å; L381-I390 HydrophobicContact CB-CG2 4.12Å; L381-I390 HydrophobicContact CD2-CG2 3.83Å; L381-I390 WeakPolarHBondContact O-CG2 3.46Å; A384-I390 HydrophobicContact CB-CD1 3.78Å; A384-I390 HydrophobicContact CB-CG2 4.05Å; A384-I390 WeakPolarHBondContact O-CB 3.45Å; A384-I390 WeakPolarHBondContact O-CG2 3.19Å; N387-I390 HydrophobicContact CB-CB 4.01Å; N387-I390 HydrophobicContact CB-CD1 3.86Å; N387-I390 HydrophobicContact CB-CG1 3.85Å; N387-I390 WeakPolarHBondContact O-CA 3.37Å; N387-I390 WeakPolarHBondContact O-CB 3.4Å; N387-I390 PolarHBondContact O-N 3.47Å; N387-I390 PolarHBondContact OD1-N 3.5Å; I390-L393 PolarHBondContact O-N 3.49Å; I390-K394 PolarHBondContact O-N 2.96Å
391A89Confident89Confident27 Ų2756.7 Ų56.722%0.22329%0.29CS..Hα-helixtrans-60-46.5173.700000111.9D385 N387 L393 K394 I395D385-A391 HydrophobicContact CB-CB 4.3Å; D385-A391 WeakPolarHBondContact O-CB 3.42Å; N387-A391 PolarHBondContact O-N 2.89Å; A391-L393 VanDerWaalsContact C-N 3.29Å; A391-L393 PolarHBondContact O-N 2.93Å; A391-K394 WeakPolarHBondContact O-CB 3.04Å; A391-K394 PolarHBondContact O-N 3.37Å; A391-I395 WeakPolarHBondContact O-CG1 3.29Å; A391-I395 PolarHBondContact O-N 3.43Å; A391-I395 VanDerWaalsContact O-N 3.15Å
392R89.1Confident89Confident96 Ų9664.9 Ų64.936%0.36233%0.326SS..Hα-helixtrans-59.1-43.7174.9-171.2-179.8172.6-166.9-4.7110.5E353 L354 V388 I395 V396E353-R392 IonicContact OE2-CZ 2.72Å; E353-R392 IonicContact OE2-NH2 3.75Å; E353-R392 PolarHBondContact OE2-NH2 2.93Å; L354-R392 HydrophobicContact CD1-CG 4.13Å; V388-R392 WeakPolarHBondContact O-CB 3.46Å; V388-R392 PolarHBondContact O-N 3.27Å; R392-I395 PolarHBondContact O-N 2.98Å; R392-V396 WeakPolarHBondContact O-CG2 3.35Å; R392-V396 PolarHBondContact O-N 3.32Å; R392-V396 VanDerWaalsContact O-N 3.09Å
393L87.9Confident88.9Confident1 Ų163 Ų631%0.00532%0.319CS..Hα-helixtrans-65.2-40.5178.4-174.262.4000112.7L354 L358 I361 L381 Q389 I390 A391 I395 V396 V397L354-L393 HydrophobicContact CB-CD1 4.12Å; L354-L393 HydrophobicContact CD1-CB 4.46Å; L354-L393 HydrophobicContact CD1-CD1 3.99Å; L358-L393 HydrophobicContact CD1-CD1 4.04Å; L358-L393 HydrophobicContact CD2-CD1 3.68Å; L358-L393 HydrophobicContact CD2-CD2 3.93Å; L358-L393 HydrophobicContact CD2-CG 4.24Å; L358-L393 HydrophobicContact CG-CD1 3.54Å; L358-L393 HydrophobicContact CG-CD2 4.1Å; L358-L393 HydrophobicContact CG-CG 4.43Å; I361-L393 HydrophobicContact CD1-CD2 3.39Å; L381-L393 HydrophobicContact CD1-CD2 4.24Å; L381-L393 HydrophobicContact CD1-CG 4.04Å; L381-L393 HydrophobicContact CD2-CD2 3.92Å; L381-L393 HydrophobicContact CD2-CG 4.45Å; Q389-L393 WeakPolarHBondContact O-CB 3.39Å; Q389-L393 PolarHBondContact O-N 3.43Å; I390-L393 PolarHBondContact O-N 3.49Å; A391-L393 VanDerWaalsContact C-N 3.29Å; A391-L393 PolarHBondContact O-N 2.93Å; L393-I395 VanDerWaalsContact C-N 3.32Å; L393-I395 PolarHBondContact O-N 3.25Å; L393-V396 PolarHBondContact O-N 3.2Å; L393-V397 HydrophobicContact CD1-CG2 4.07Å; L393-V397 HydrophobicContact CG-CG2 4.17Å; L393-V397 WeakPolarHBondContact O-CG2 3.37Å; L393-V397 PolarHBondContact O-N 3.33Å
394K91.5Very high88.9Confident39 Ų3960.1 Ų60.117%0.1730%0.296CS..Hα-helixtrans-53.5-50.9174.3-174.2179.375.6172.80110.4V378 L381 E382 D385 I390 A391 V396 V397 S398V378-K394 HydrophobicContact CG1-CG 4.28Å; L381-K394 HydrophobicContact CB-CB 4.08Å; L381-K394 HydrophobicContact CB-CG 4.35Å; L381-K394 HydrophobicContact CD1-CB 4.48Å; E382-K394 HydrophobicContact CB-CD 3.98Å; E382-K394 HydrophobicContact CG-CD 4.44Å; E382-K394 IonicContact OE1-NZ 2.73Å; D385-K394 IonicContact OD2-NZ 2.8Å; D385-K394 PolarHBondContact OD2-NZ 3.3Å; I390-K394 PolarHBondContact O-N 2.96Å; A391-K394 WeakPolarHBondContact O-CB 3.04Å; A391-K394 PolarHBondContact O-N 3.37Å; K394-V396 VanDerWaalsContact C-N 3.34Å; K394-V396 PolarHBondContact O-N 3.05Å; K394-V397 PolarHBondContact O-N 3.26Å; K394-S398 WeakPolarHBondContact O-CB 3.48Å; K394-S398 PolarHBondContact O-N 2.88Å; K394-S398 PolarHBondContact O-OG 3.16Å
395I91.5Very high89.1Confident95 Ų9563.2 Ų63.249%0.48731%0.31SS..Hα-helixtrans-58.7-46.1178.9-66166.6000111A391 R392 L393 S398 K399A391-I395 WeakPolarHBondContact O-CG1 3.29Å; A391-I395 PolarHBondContact O-N 3.43Å; A391-I395 VanDerWaalsContact O-N 3.15Å; R392-I395 PolarHBondContact O-N 2.98Å; L393-I395 VanDerWaalsContact C-N 3.32Å; L393-I395 PolarHBondContact O-N 3.25Å; I395-S398 PolarHBondContact O-N 2.81Å; I395-K399 HydrophobicContact CG2-CD 4.47Å; I395-K399 WeakPolarHBondContact O-CG 3.46Å; I395-K399 PolarHBondContact O-N 2.94Å
396V90.1Very high89.2Confident1 Ų165.5 Ų65.51%0.00632%0.322CS..Hα-helixtrans-63.7-46.8-179167.70000111.7L347 E350 I351 L354 R392 L393 K394 S398 K399 L400L347-V396 HydrophobicContact CD1-CG1 3.92Å; E350-V396 HydrophobicContact CB-CG2 3.87Å; E350-V396 WeakPolarHBondContact OE2-CG2 3.31Å; I351-V396 HydrophobicContact CB-CG1 4.28Å; I351-V396 HydrophobicContact CD1-CG1 4.37Å; I351-V396 HydrophobicContact CG1-CG1 3.29Å; L354-V396 HydrophobicContact CD1-CB 4.18Å; L354-V396 HydrophobicContact CD1-CG1 4.41Å; L354-V396 HydrophobicContact CD1-CG2 3.78Å; R392-V396 WeakPolarHBondContact O-CG2 3.35Å; R392-V396 PolarHBondContact O-N 3.32Å; R392-V396 VanDerWaalsContact O-N 3.09Å; L393-V396 PolarHBondContact O-N 3.2Å; K394-V396 VanDerWaalsContact C-N 3.34Å; K394-V396 PolarHBondContact O-N 3.05Å; V396-S398 VanDerWaalsContact C-N 3.34Å; V396-S398 PolarHBondContact O-N 3.06Å; V396-K399 PolarHBondContact O-N 3.42Å; V396-L400 PolarHBondContact O-N 3.09Å
397V90.7Very high89.2Confident5 Ų562.2 Ų62.23%0.0332%0.318CS..Hα-helixtrans-65.1-39.6177.11780000110.6L358 L374 L377 V378 L381 L393 K394 K399 L400 I401L358-V397 HydrophobicContact CD2-CG2 4.34Å; L374-V397 HydrophobicContact CB-CG1 4.48Å; L374-V397 HydrophobicContact CD2-CG1 4.33Å; L377-V397 HydrophobicContact CD2-CG1 3.95Å; L377-V397 HydrophobicContact CD2-CG2 4.08Å; L377-V397 HydrophobicContact CG-CG1 4.49Å; V378-V397 HydrophobicContact CG2-CB 4.09Å; V378-V397 HydrophobicContact CG2-CG1 3.56Å; L381-V397 HydrophobicContact CD1-CB 4.5Å; L381-V397 HydrophobicContact CD1-CG2 4.16Å; L393-V397 HydrophobicContact CD1-CG2 4.07Å; L393-V397 HydrophobicContact CG-CG2 4.17Å; L393-V397 WeakPolarHBondContact O-CG2 3.37Å; L393-V397 PolarHBondContact O-N 3.33Å; K394-V397 PolarHBondContact O-N 3.26Å; V397-K399 VanDerWaalsContact C-N 3.33Å; V397-K399 PolarHBondContact O-N 3.24Å; V397-L400 WeakPolarHBondContact O-CB 3.24Å; V397-L400 PolarHBondContact O-N 3.48Å; V397-L400 VanDerWaalsContact O-N 3.16Å; V397-I401 HydrophobicContact CG1-CD1 4.36Å; V397-I401 WeakPolarHBondContact O-CG1 3.38Å; V397-I401 PolarHBondContact O-N 2.89Å
398S93.1Very high89.2Confident42 Ų4261.9 Ų61.929%0.29432%0.316SS..Hα-helixtrans-63.3-35.6175.1-630000113.1K394 I395 V396K394-S398 WeakPolarHBondContact O-CB 3.48Å; K394-S398 PolarHBondContact O-N 2.88Å; K394-S398 PolarHBondContact O-OG 3.16Å; I395-S398 PolarHBondContact O-N 2.81Å; V396-S398 VanDerWaalsContact C-N 3.34Å; V396-S398 PolarHBondContact O-N 3.06Å
399K92.3Very high89.4Confident82 Ų8256.5 Ų56.536%0.35728%0.283SS..Hα-helixtrans-66-43.2171.5-72173.8-177.1174.50110.8L347 E350 I395 V396 V397 I401 K402L347-K399 HydrophobicContact CD1-CB 3.68Å; L347-K399 HydrophobicContact CD1-CD 3.88Å; L347-K399 HydrophobicContact CD1-CG 4.48Å; L347-K399 HydrophobicContact CD2-CB 3.96Å; L347-K399 HydrophobicContact CG-CB 4.45Å; E350-K399 IonicContact OE1-NZ 2.98Å; E350-K399 PolarHBondContact OE1-NZ 3.19Å; E350-K399 IonicContact OE2-NZ 3.94Å; E350-K399 PolarHBondContact OE2-NZ 3.41Å; I395-K399 HydrophobicContact CG2-CD 4.47Å; I395-K399 WeakPolarHBondContact O-CG 3.46Å; I395-K399 PolarHBondContact O-N 2.94Å; V396-K399 PolarHBondContact O-N 3.42Å; V397-K399 VanDerWaalsContact C-N 3.33Å; V397-K399 PolarHBondContact O-N 3.24Å; K399-I401 PolarHBondContact O-N 3.35Å; K399-K402 WeakPolarHBondContact O-CB 3.28Å; K399-K402 PolarHBondContact O-N 3.09Å; K399-K402 VanDerWaalsContact O-N 3.16Å
400L90.7Very high89.8Confident8 Ų857.8 Ų57.84%0.04229%0.291CS..Hα-helixtrans-60.5-42.8178.5-17962.5000112.3I341 L347 I351 L374 V396 V397 K402 L403 L404 F412 F417I341-L400 HydrophobicContact CG2-CD1 4.13Å; L347-L400 HydrophobicContact CD2-CB 4.46Å; I351-L400 HydrophobicContact CD1-CB 4.34Å; I351-L400 HydrophobicContact CD1-CD1 4.06Å; I351-L400 HydrophobicContact CD1-CD2 4.16Å; I351-L400 HydrophobicContact CD1-CG 4.42Å; L374-L400 HydrophobicContact CD1-CD2 4.41Å; V396-L400 PolarHBondContact O-N 3.09Å; V397-L400 WeakPolarHBondContact O-CB 3.24Å; V397-L400 PolarHBondContact O-N 3.48Å; V397-L400 VanDerWaalsContact O-N 3.16Å; L400-K402 PolarHBondContact O-N 3.39Å; L400-K402 VanDerWaalsContact O-N 3.16Å; L400-L403 PolarHBondContact O-N 2.88Å; L400-L404 HydrophobicContact CD1-CD1 3.91Å; L400-L404 HydrophobicContact CD1-CD2 4.35Å; L400-L404 HydrophobicContact CD1-CG 4.02Å; L400-L404 HydrophobicContact CD2-CD1 4.22Å; L400-L404 HydrophobicContact CG-CD1 3.73Å; L400-L404 HydrophobicContact CG-CG 4.23Å; L400-L404 PolarHBondContact O-N 2.95Å; L400-F412 HydrophobicContact CD2-CE2 4.08Å; L400-F412 HydrophobicContact CD2-CZ 3.85Å; L400-F417 HydrophobicContact CD1-CE2 3.93Å; L400-F417 HydrophobicContact CD1-CZ 3.88Å; L400-F417 HydrophobicContact CD2-CE2 4.43Å; L400-F417 HydrophobicContact CD2-CZ 4.28Å
401I92.1Very high90Very high20 Ų2059.3 Ų59.310%0.10330%0.304CS..Hα-helixtrans-55.2-34.4176.8-71.8171.3000111.9L374 Y375 V378 V397 K399 L403 I409L374-I401 HydrophobicContact CB-CD1 3.79Å; L374-I401 HydrophobicContact CB-CG1 3.66Å; L374-I401 HydrophobicContact CD1-CG1 3.99Å; L374-I401 HydrophobicContact CG-CG1 4.49Å; Y375-I401 HydrophobicContact CD1-CD1 4.11Å; Y375-I401 HydrophobicContact CD1-CG2 4.49Å; Y375-I401 HydrophobicContact CE1-CD1 4.32Å; Y375-I401 HydrophobicContact CE1-CG2 3.7Å; V378-I401 HydrophobicContact CG2-CD1 3.65Å; V397-I401 HydrophobicContact CG1-CD1 4.36Å; V397-I401 WeakPolarHBondContact O-CG1 3.38Å; V397-I401 PolarHBondContact O-N 2.89Å; K399-I401 PolarHBondContact O-N 3.35Å; I401-L403 PolarHBondContact O-N 3.41Å; I401-I409 HydrophobicContact CG2-CD1 4.09Å; I401-I409 HydrophobicContact CG2-CG1 4.47Å; I401-I409 HydrophobicContact CG2-CG2 4.48Å; I401-I409 WeakPolarHBondContact O-CD1 3.4Å
402K90.5Very high90Very high177 Ų17758.5 Ų58.577%0.7730%0.296SS*.THydrogen-bonded Turntrans-70.4-15-179.3-64.7175.5-178.5-178.40113.7K399 L400K399-K402 WeakPolarHBondContact O-CB 3.28Å; K399-K402 PolarHBondContact O-N 3.09Å; K399-K402 VanDerWaalsContact O-N 3.16Å; L400-K402 PolarHBondContact O-N 3.39Å; L400-K402 VanDerWaalsContact O-N 3.16Å
403L88.2Confident89.8Confident70 Ų7056.6 Ų56.637%0.36629%0.292SS..THydrogen-bonded Turntrans-107.4-18.2-173.2-58.6172.3000113.2I341 E344 L347 L400 I401I341-L403 HydrophobicContact CB-CD1 4.22Å; I341-L403 HydrophobicContact CG2-CB 3.87Å; I341-L403 HydrophobicContact CG2-CD1 3.63Å; I341-L403 HydrophobicContact CG2-CG 4.42Å; E344-L403 HydrophobicContact CB-CD1 3.86Å; E344-L403 HydrophobicContact CG-CD1 3.63Å; E344-L403 HydrophobicContact CG-CD2 3.98Å; E344-L403 HydrophobicContact CG-CG 4.47Å; L347-L403 HydrophobicContact CD2-CD1 3.4Å; L400-L403 PolarHBondContact O-N 2.88Å; I401-L403 PolarHBondContact O-N 3.41Å
404L87.8Confident89.5Confident21 Ų2156.6 Ų56.611%0.1129%0.293CS..SBendtrans-93.5155.7-177.4-63.6179.2000111.1D340 L374 L400 D408 I409 F412D340-L404 HydrophobicContact CB-CD2 4.35Å; L374-L404 HydrophobicContact CD1-CD1 3.83Å; L400-L404 HydrophobicContact CD1-CD1 3.91Å; L400-L404 HydrophobicContact CD1-CD2 4.35Å; L400-L404 HydrophobicContact CD1-CG 4.02Å; L400-L404 HydrophobicContact CD2-CD1 4.22Å; L400-L404 HydrophobicContact CG-CD1 3.73Å; L400-L404 HydrophobicContact CG-CG 4.23Å; L400-L404 PolarHBondContact O-N 2.95Å; L404-D408 HydrophobicContact CB-CB 4.24Å; L404-I409 HydrophobicContact CB-CD1 4.4Å; L404-I409 HydrophobicContact CB-CG1 3.83Å; L404-I409 WeakPolarHBondContact O-CD1 3.32Å; L404-F412 HydrophobicContact CD1-CD2 3.76Å; L404-F412 HydrophobicContact CD1-CE2 3.61Å
405N89.1Confident88.8Confident86 Ų8658.7 Ų58.746%0.4631%0.305SS..  trans-76.5163.2170.967.157.1000110.8N407 D408 I409N405-N407 VanDerWaalsContact C-N 3.26Å; N405-N407 PolarHBondContact O-N 3.37Å; N405-N407 WeakPolarHBondContact OD1-CB 3.29Å; N405-N407 PolarHBondContact OD1-N 2.93Å; N405-D408 VanDerWaalsContact CG-OD2 3.29Å; N405-D408 PolarHBondContact ND2-OD2 2.89Å; N405-D408 PolarHBondContact O-N 2.88Å; N405-D408 PolarHBondContact OD1-N 3.27Å; N405-D408 PolarHBondContact OD1-OD2 3.34Å; N405-I409 VanDerWaalsContact O-CG1 3.27Å; N405-I409 WeakPolarHBondContact O-CG1 3.37Å; N405-I409 PolarHBondContact O-N 2.77Å
406N88.3Confident88.3Confident115 Ų11560 Ų6062%0.61531%0.308SS*.Hα-helixtrans-58.2-34.3-177.4-77.4-13.6000113.9I409 M410N406-I409 PolarHBondContact O-N 2.94Å; N406-M410 WeakPolarHBondContact O-CB 3.42Å; N406-M410 WeakPolarHBondContact O-CG 3.38Å; N406-M410 PolarHBondContact O-N 2.9Å
407N88.7Confident87.9Confident126 Ų12660.1 Ų60.167%0.67431%0.308SS*.Hα-helixtrans-67.2-45.8179.5-68-20.1000110.7N405 I409 M410 S411N405-N407 VanDerWaalsContact C-N 3.26Å; N405-N407 PolarHBondContact O-N 3.37Å; N405-N407 WeakPolarHBondContact OD1-CB 3.29Å; N405-N407 PolarHBondContact OD1-N 2.93Å; N407-I409 VanDerWaalsContact C-N 3.28Å; N407-I409 PolarHBondContact O-N 3.07Å; N407-M410 PolarHBondContact O-N 3.34Å; N407-S411 PolarHBondContact O-N 3.01Å; N407-S411 PolarHBondContact O-OG 3.42Å
408D87.3Confident87.4Confident65 Ų6560.4 Ų60.435%0.34831%0.31SS..Hα-helixtrans-67-29.8177.6-67.3-35.2000112L404 N405 S411 F412L404-D408 HydrophobicContact CB-CB 4.24Å; N405-D408 VanDerWaalsContact CG-OD2 3.29Å; N405-D408 PolarHBondContact ND2-OD2 2.89Å; N405-D408 PolarHBondContact O-N 2.88Å; N405-D408 PolarHBondContact OD1-N 3.27Å; N405-D408 PolarHBondContact OD1-OD2 3.34Å; D408-S411 CarbonylContact O-C 3.37Å; D408-F412 WeakPolarHBondContact O-CA 3.33Å; D408-F412 WeakPolarHBondContact O-CB 3.46Å; D408-F412 PolarHBondContact O-N 3.44Å; D408-F412 VanDerWaalsContact O-N 3.1Å
409I90.2Very high86.5Confident3 Ų359.7 Ų59.72%0.01531%0.306CS..Hα-helixtrans-70.5-42.7174.7-66.7162.9000111.5L374 Y375 I401 L404 N405 N406 N407L374-I409 HydrophobicContact CB-CG2 4.25Å; L374-I409 PolarHBondContact N-O 3.13Å; Y375-I409 HydrophobicContact CD2-CG2 3.64Å; Y375-I409 HydrophobicContact CE2-CG2 3.36Å; Y375-I409 HydrophobicContact CG-CG2 4.42Å; I401-I409 HydrophobicContact CG2-CD1 4.09Å; I401-I409 HydrophobicContact CG2-CG1 4.47Å; I401-I409 HydrophobicContact CG2-CG2 4.48Å; I401-I409 WeakPolarHBondContact O-CD1 3.4Å; L404-I409 HydrophobicContact CB-CD1 4.4Å; L404-I409 HydrophobicContact CB-CG1 3.83Å; L404-I409 WeakPolarHBondContact O-CD1 3.32Å; N405-I409 VanDerWaalsContact O-CG1 3.27Å; N405-I409 WeakPolarHBondContact O-CG1 3.37Å; N405-I409 PolarHBondContact O-N 2.77Å; N406-I409 PolarHBondContact O-N 2.94Å; N407-I409 VanDerWaalsContact C-N 3.28Å; N407-I409 PolarHBondContact O-N 3.07Å
410M91.3Very high86Confident103 Ų10355.9 Ų55.951%0.50729%0.29SS..Hα-helixtrans-76.9-31.7-176-68-61.6-7000112.6N373 Y375 N406 N407N373-M410 WeakPolarHBondContact ND2-CE 3.39Å; N373-M410 PolarHBondContact ND2-SD 3.2Å; N373-M410 VanDerWaalsContact ND2-SD 3.4Å; Y375-M410 HydrophobicContact CD2-SD 4.4Å; N406-M410 WeakPolarHBondContact O-CB 3.42Å; N406-M410 WeakPolarHBondContact O-CG 3.38Å; N406-M410 PolarHBondContact O-N 2.9Å; N407-M410 PolarHBondContact O-N 3.34Å
411S89.8Confident85.6Confident63 Ų6355.5 Ų55.544%0.44129%0.288SS..THydrogen-bonded Turntrans-132.261.4178.558.90000111.8N371 N407 D408 N413N371-S411 VanDerWaalsContact OD1-CA 3.26Å; N371-S411 WeakPolarHBondContact OD1-CA 3.45Å; N371-S411 WeakPolarHBondContact OD1-CB 3.4Å; N407-S411 PolarHBondContact O-N 3.01Å; N407-S411 PolarHBondContact O-OG 3.42Å; D408-S411 CarbonylContact O-C 3.37Å; S411-N413 PolarHBondContact O-N 3.37Å
412F89.4Confident84.9Confident11 Ų1155.8 Ų55.85%0.04829%0.289CS..BIsolated β-bridgetrans-70127.2-179.6-171.2-105.3000111.1N371 V372 L374 L400 L404 D408 L414 F417N371-F412 CarbonylContact C-O 3.53Å; N371-F412 WeakPolarHBondContact CA-O 3.07Å; V372-F412 HydrophobicContact CB-CB 4.48Å; V372-F412 PolarHBondContact N-O 2.99Å; V372-F412 WeakPolarHBondContact O-CA 3.48Å; V372-F412 WeakPolarHBondContact O-CB 3.42Å; V372-F412 PolarHBondContact O-N 3.42Å; L374-F412 HydrophobicContact CD1-CB 4.17Å; L374-F412 HydrophobicContact CD1-CD2 3.89Å; L374-F412 HydrophobicContact CD1-CE2 4.41Å; L374-F412 HydrophobicContact CD1-CG 4.01Å; L374-F412 HydrophobicContact CD2-CB 3.79Å; L374-F412 HydrophobicContact CD2-CD1 3.75Å; L374-F412 HydrophobicContact CD2-CD2 4.41Å; L374-F412 HydrophobicContact CD2-CE1 4.37Å; L374-F412 HydrophobicContact CD2-CG 3.73Å; L374-F412 HydrophobicContact CG-CB 3.75Å; L374-F412 HydrophobicContact CG-CD1 4.5Å; L374-F412 HydrophobicContact CG-CD2 4.37Å; L374-F412 HydrophobicContact CG-CG 3.98Å; L400-F412 HydrophobicContact CD2-CE2 4.08Å; L400-F412 HydrophobicContact CD2-CZ 3.85Å; L404-F412 HydrophobicContact CD1-CD2 3.76Å; L404-F412 HydrophobicContact CD1-CE2 3.61Å; D408-F412 WeakPolarHBondContact O-CA 3.33Å; D408-F412 WeakPolarHBondContact O-CB 3.46Å; D408-F412 PolarHBondContact O-N 3.44Å; D408-F412 VanDerWaalsContact O-N 3.1Å; F412-L414 HydrophobicContact CD1-CB 4.2Å; F412-L414 HydrophobicContact CE1-CB 4.06Å; F412-L414 HydrophobicContact CE1-CD1 3.88Å; F412-F417 HydrophobicContact CE1-CB 4.05Å; F412-F417 HydrophobicContact CE1-CG 4.23Å; F412-F417 HydrophobicContact CE2-CB 4.17Å; F412-F417 AromaticContact CE2-CD2 3.54Å; F412-F417 HydrophobicContact CE2-CD2 3.54Å; F412-F417 HydrophobicContact CE2-CE2 4.11Å; F412-F417 AromaticContact CE2-CG 3.97Å; F412-F417 HydrophobicContact CE2-CG 3.97Å; F412-F417 HydrophobicContact CZ-CB 3.51Å; F412-F417 AromaticContact CZ-CD1 3.96Å; F412-F417 HydrophobicContact CZ-CD1 3.96Å; F412-F417 AromaticContact CZ-CD2 3.38Å; F412-F417 HydrophobicContact CZ-CD2 3.38Å; F412-F417 HydrophobicContact CZ-CE2 4.03Å; F412-F417 AromaticContact CZ-CG 3.33Å; F412-F417 HydrophobicContact CZ-CG 3.33Å
413N85.6Confident84.4Confident55 Ų5547.5 Ų47.529%0.29425%0.253SS..  trans-99.395.1174.3-172.6-32.1000109.2P369 S411 D415 K416 F417P369-N413 CarbonylContact O-C 3.54Å; S411-N413 PolarHBondContact O-N 3.37Å; N413-D415 PolarHBondContact OD1-N 3.34Å; N413-K416 HydrophobicContact CB-CB 3.93Å; N413-K416 VanDerWaalsContact CG-CB 3.46Å; N413-K416 PolarHBondContact O-N 3.47Å; N413-K416 WeakPolarHBondContact OD1-CB 3.44Å; N413-K416 PolarHBondContact OD1-N 2.89Å; N413-F417 WeakPolarHBondContact O-CB 3.25Å; N413-F417 PolarHBondContact O-N 3.35Å
414L82.4Confident83.9Confident2 Ų245.3 Ų45.31%0.0124%0.243CC..Hα-helixtrans-61.7-42.5179.9179.668.9000111.5L359 F362 P369 F412 K416 F417 L418L359-L414 HydrophobicContact CD2-CD2 4.13Å; F362-L414 HydrophobicContact CD1-CB 4.29Å; F362-L414 HydrophobicContact CD1-CD2 3.43Å; F362-L414 VanDerWaalsContact CD1-CD2 3.43Å; F362-L414 HydrophobicContact CD1-CG 4.44Å; F362-L414 HydrophobicContact CD2-CD2 4.24Å; F362-L414 HydrophobicContact CE1-CB 3.69Å; F362-L414 HydrophobicContact CE1-CD2 3.38Å; F362-L414 HydrophobicContact CE1-CG 4.02Å; F362-L414 HydrophobicContact CE2-CD2 4.21Å; F362-L414 HydrophobicContact CG-CD2 3.86Å; F362-L414 HydrophobicContact CZ-CB 4.37Å; F362-L414 HydrophobicContact CZ-CD1 4.48Å; F362-L414 HydrophobicContact CZ-CD2 3.8Å; F362-L414 HydrophobicContact CZ-CG 4.43Å; P369-L414 WeakPolarHBondContact O-CB 3.3Å; P369-L414 PolarHBondContact O-N 3.35Å; F412-L414 HydrophobicContact CD1-CB 4.2Å; F412-L414 HydrophobicContact CE1-CB 4.06Å; F412-L414 HydrophobicContact CE1-CD1 3.88Å; L414-K416 VanDerWaalsContact C-N 3.31Å; L414-K416 PolarHBondContact O-N 3.23Å; L414-F417 PolarHBondContact O-N 3.18Å; L414-L418 HydrophobicContact CD1-CD1 3.79Å; L414-L418 HydrophobicContact CD1-CD2 4.19Å; L414-L418 HydrophobicContact CD1-CG 3.76Å; L414-L418 HydrophobicContact CD2-CD1 4.08Å; L414-L418 HydrophobicContact CG-CD1 3.65Å; L414-L418 HydrophobicContact CG-CG 4.02Å; L414-L418 WeakPolarHBondContact O-CB 3.41Å; L414-L418 VanDerWaalsContact O-CG 3.28Å; L414-L418 WeakPolarHBondContact O-CG 3.45Å; L414-L418 PolarHBondContact O-N 2.84Å
415D76.6Confident83Confident82 Ų8246.8 Ų46.844%0.43925%0.249SC..Hα-helixtrans-60.2-44.9-179.8-68.4-25.1000110.9P369 N413 A419P369-D415 WeakPolarHBondContact CB-OD1 3.32Å; N413-D415 PolarHBondContact OD1-N 3.34Å; D415-A419 VanDerWaalsContact O-CB 3.25Å; D415-A419 WeakPolarHBondContact O-CB 3.45Å; D415-A419 PolarHBondContact O-N 3.15Å
416K79.9Confident81.7Confident123 Ų12343.7 Ų43.754%0.53523%0.232SC..Hα-helixtrans-63.9-44.9175.9-176-173.4174.2-164.90111.3N413 L414 A419 S420N413-K416 HydrophobicContact CB-CB 3.93Å; N413-K416 VanDerWaalsContact CG-CB 3.46Å; N413-K416 PolarHBondContact O-N 3.47Å; N413-K416 WeakPolarHBondContact OD1-CB 3.44Å; N413-K416 PolarHBondContact OD1-N 2.89Å; L414-K416 VanDerWaalsContact C-N 3.31Å; L414-K416 PolarHBondContact O-N 3.23Å; K416-A419 PolarHBondContact O-N 2.96Å; K416-S420 WeakPolarHBondContact O-CB 3.39Å; K416-S420 PolarHBondContact O-N 3.27Å; K416-S420 VanDerWaalsContact O-N 3.14Å; K416-S420 PolarHBondContact O-OG 3.21Å
417F83.1Confident80.6Confident4 Ų441.5 Ų41.52%0.01822%0.217CC..Hα-helixtrans-61.6-50.3179.4-171.9-85.4000111.1H338 I341 I351 L400 F412 N413 L414 A419 S420 F421H338-F417 AromaticContact CD2-CD1 3.97Å; H338-F417 AromaticContact CD2-CE1 3.73Å; H338-F417 AromaticContact CD2-CZ 3.77Å; H338-F417 PolarHBondContact CD2-O 3.45Å; H338-F417 AromaticContact CE1-CD2 3.25Å; H338-F417 WeakPolarHBondContact CE1-CD2 3.42Å; H338-F417 AromaticContact CE1-CE2 3.21Å; H338-F417 WeakPolarHBondContact CE1-CE2 3.19Å; H338-F417 AromaticContact CE1-CG 3.84Å; H338-F417 AromaticContact CE1-CZ 3.76Å; H338-F417 AromaticContact CG-CZ 3.85Å; H338-F417 AromaticContact ND1-CE2 3.57Å; H338-F417 AromaticContact ND1-CZ 3.83Å; H338-F417 AromaticContact NE2-CD1 3.63Å; H338-F417 AromaticContact NE2-CD2 3.32Å; H338-F417 VanDerWaalsContact NE2-CD2 3.32Å; H338-F417 WeakPolarHBondContact NE2-CD2 3.46Å; H338-F417 AromaticContact NE2-CE1 3.77Å; H338-F417 AromaticContact NE2-CE2 3.51Å; H338-F417 AromaticContact NE2-CG 3.4Å; H338-F417 WeakPolarHBondContact NE2-CG 3.31Å; H338-F417 AromaticContact NE2-CZ 3.72Å; H338-F417 PolarHBondContact NE2-O 3.34Å; I341-F417 HydrophobicContact CD1-CZ 4.4Å; I351-F417 HydrophobicContact CD1-CE1 4.16Å; I351-F417 HydrophobicContact CD1-CZ 4.03Å; I351-F417 HydrophobicContact CG2-CE1 3.84Å; L400-F417 HydrophobicContact CD1-CE2 3.93Å; L400-F417 HydrophobicContact CD1-CZ 3.88Å; L400-F417 HydrophobicContact CD2-CE2 4.43Å; L400-F417 HydrophobicContact CD2-CZ 4.28Å; F412-F417 HydrophobicContact CE1-CB 4.05Å; F412-F417 HydrophobicContact CE1-CG 4.23Å; F412-F417 HydrophobicContact CE2-CB 4.17Å; F412-F417 AromaticContact CE2-CD2 3.54Å; F412-F417 HydrophobicContact CE2-CD2 3.54Å; F412-F417 HydrophobicContact CE2-CE2 4.11Å; F412-F417 AromaticContact CE2-CG 3.97Å; F412-F417 HydrophobicContact CE2-CG 3.97Å; F412-F417 HydrophobicContact CZ-CB 3.51Å; F412-F417 AromaticContact CZ-CD1 3.96Å; F412-F417 HydrophobicContact CZ-CD1 3.96Å; F412-F417 AromaticContact CZ-CD2 3.38Å; F412-F417 HydrophobicContact CZ-CD2 3.38Å; F412-F417 HydrophobicContact CZ-CE2 4.03Å; F412-F417 AromaticContact CZ-CG 3.33Å; F412-F417 HydrophobicContact CZ-CG 3.33Å; N413-F417 WeakPolarHBondContact O-CB 3.25Å; N413-F417 PolarHBondContact O-N 3.35Å; L414-F417 PolarHBondContact O-N 3.18Å; F417-A419 VanDerWaalsContact C-N 3.27Å; F417-A419 PolarHBondContact O-N 2.97Å; F417-S420 WeakPolarHBondContact O-CB 3.41Å; F417-S420 PolarHBondContact O-N 2.82Å; F417-F421 HydrophobicContact CD1-CE2 4.13Å; F417-F421 AromaticContact CE1-CE2 3.94Å; F417-F421 HydrophobicContact CE1-CE2 3.94Å; F417-F421 HydrophobicContact CE1-CZ 4.04Å
418L78.7Confident79.3Confident11 Ų1141 Ų416%0.05821%0.209CC..Hα-helixtrans-63.7-32.3178.7-65.8176.4000112.7Q355 L359 L414 S420 F421Q355-L418 HydrophobicContact CB-CD2 4.01Å; Q355-L418 HydrophobicContact CG-CD1 3.69Å; Q355-L418 HydrophobicContact CG-CD2 3.63Å; Q355-L418 HydrophobicContact CG-CG 4.21Å; L359-L418 HydrophobicContact CD2-CD1 4Å; L359-L418 HydrophobicContact CG-CD1 4.2Å; L414-L418 HydrophobicContact CD1-CD1 3.79Å; L414-L418 HydrophobicContact CD1-CD2 4.19Å; L414-L418 HydrophobicContact CD1-CG 3.76Å; L414-L418 HydrophobicContact CD2-CD1 4.08Å; L414-L418 HydrophobicContact CG-CD1 3.65Å; L414-L418 HydrophobicContact CG-CG 4.02Å; L414-L418 WeakPolarHBondContact O-CB 3.41Å; L414-L418 VanDerWaalsContact O-CG 3.28Å; L414-L418 WeakPolarHBondContact O-CG 3.45Å; L414-L418 PolarHBondContact O-N 2.84Å; L418-S420 VanDerWaalsContact C-N 3.25Å; L418-S420 PolarHBondContact O-N 3.42Å; L418-F421 HydrophobicContact CD2-CE2 4.11Å
419A74.9Confident77.7Confident26 Ų2641.6 Ų41.622%0.21521%0.207CC..Hα-helixtrans-72.8-1617400000113.6D415 K416 F417D415-A419 VanDerWaalsContact O-CB 3.25Å; D415-A419 WeakPolarHBondContact O-CB 3.45Å; D415-A419 PolarHBondContact O-N 3.15Å; K416-A419 PolarHBondContact O-N 2.96Å; F417-A419 VanDerWaalsContact C-N 3.27Å; F417-A419 PolarHBondContact O-N 2.97Å
420S82Confident75.7Confident2 Ų243.4 Ų43.41%0.01422%0.218CC..THydrogen-bonded Turntrans-92.2-0.7-173.6-59.80000114L251 H338 P339 K416 F417 L418 L422L251-S420 WeakPolarHBondContact CD2-OG 3.44Å; L251-S420 WeakPolarHBondContact CG-OG 3.44Å; H338-S420 WeakPolarHBondContact NE2-CB 3.41Å; P339-S420 WeakPolarHBondContact CD-O 3.1Å; K416-S420 WeakPolarHBondContact O-CB 3.39Å; K416-S420 PolarHBondContact O-N 3.27Å; K416-S420 VanDerWaalsContact O-N 3.14Å; K416-S420 PolarHBondContact O-OG 3.21Å; F417-S420 WeakPolarHBondContact O-CB 3.41Å; F417-S420 PolarHBondContact O-N 2.82Å; L418-S420 VanDerWaalsContact C-N 3.25Å; L418-S420 PolarHBondContact O-N 3.42Å; S420-L422 PolarHBondContact O-N 2.91Å
421F82.1Confident73.4Confident0 Ų044.4 Ų44.40%022%0.219CC..  trans-61.8131.8174.5-83.4-85000110.8N256 V260 V336 H338 A348 I351 F352 F417 L418N256-F421 PolarHBondContact ND2-O 3.38Å; V260-F421 HydrophobicContact CG1-CB 4.19Å; V260-F421 HydrophobicContact CG2-CB 4.37Å; V336-F421 HydrophobicContact CB-CD1 4.16Å; V336-F421 HydrophobicContact CG2-CD1 4.22Å; V336-F421 HydrophobicContact CG2-CE1 4.49Å; H338-F421 HydrophobicContact CB-CD1 4.36Å; H338-F421 HydrophobicContact CB-CE1 4.2Å; H338-F421 AromaticContact CD2-CD2 3.97Å; H338-F421 AromaticContact CD2-CE2 3.94Å; A348-F421 HydrophobicContact CB-CE1 4.15Å; A348-F421 WeakPolarHBondContact O-CE1 3.33Å; I351-F421 HydrophobicContact CB-CZ 4.29Å; I351-F421 HydrophobicContact CG2-CE2 4.47Å; I351-F421 HydrophobicContact CG2-CZ 4.08Å; F352-F421 HydrophobicContact CB-CD1 4.39Å; F352-F421 HydrophobicContact CB-CE1 3.83Å; F352-F421 HydrophobicContact CB-CZ 4.02Å; F352-F421 HydrophobicContact CD2-CB 4.3Å; F352-F421 AromaticContact CD2-CD1 3.65Å; F352-F421 HydrophobicContact CD2-CD1 3.65Å; F352-F421 AromaticContact CD2-CD2 3.91Å; F352-F421 HydrophobicContact CD2-CD2 3.91Å; F352-F421 AromaticContact CD2-CE1 3.85Å; F352-F421 HydrophobicContact CD2-CE1 3.85Å; F352-F421 HydrophobicContact CD2-CE2 4.1Å; F352-F421 AromaticContact CD2-CG 3.67Å; F352-F421 HydrophobicContact CD2-CG 3.67Å; F352-F421 HydrophobicContact CD2-CZ 4.06Å; F352-F421 HydrophobicContact CE2-CB 4.16Å; F352-F421 HydrophobicContact CE2-CD1 4.29Å; F352-F421 HydrophobicContact CE2-CD2 4.37Å; F352-F421 HydrophobicContact CE2-CG 4.01Å; F352-F421 HydrophobicContact CG-CD1 4.34Å; F352-F421 HydrophobicContact CG-CE1 4.25Å; F417-F421 HydrophobicContact CD1-CE2 4.13Å; F417-F421 AromaticContact CE1-CE2 3.94Å; F417-F421 HydrophobicContact CE1-CE2 3.94Å; F417-F421 HydrophobicContact CE1-CZ 4.04Å; L418-F421 HydrophobicContact CD2-CE2 4.11Å
422L78.2Confident71.2Confident27 Ų2744.5 Ų44.514%0.14122%0.22CC..EExtended strand (participates in β ladder)trans-113.4133.3179.3-59.7176.8000110.3N256 V336 M337 S420 V424N256-L422 VanDerWaalsContact OD1-CA 3.26Å; N256-L422 WeakPolarHBondContact OD1-CA 2.88Å; V336-L422 CarbonylContact C-O 3.51Å; V336-L422 VanDerWaalsContact CA-O 3.27Å; V336-L422 WeakPolarHBondContact CA-O 3.48Å; M337-L422 HydrophobicContact CG-CB 3.95Å; M337-L422 PolarHBondContact N-O 2.97Å; M337-L422 PolarHBondContact O-N 3.4Å; S420-L422 PolarHBondContact O-N 2.91Å; L422-V424 PolarHBondContact O-N 3.43Å
423F79.6Confident68.6Low2 Ų247 Ų471%0.00923%0.232CC..EExtended strand (participates in β ladder)trans-77.6117.4170.6-160.2-98000109.4N256 F259 V260 W263 F313 L314 C335 V336 E425 I426 K427N256-F423 PolarHBondContact OD1-N 2.98Å; F259-F423 HydrophobicContact CB-CB 3.98Å; F259-F423 HydrophobicContact CB-CD1 4.15Å; F259-F423 HydrophobicContact CB-CD2 4.14Å; F259-F423 HydrophobicContact CB-CG 3.81Å; F259-F423 HydrophobicContact CD1-CD1 4.17Å; F259-F423 HydrophobicContact CD1-CE1 4.1Å; F259-F423 HydrophobicContact CD1-CZ 4.47Å; F259-F423 HydrophobicContact CG-CD1 4.37Å; V260-F423 HydrophobicContact CG2-CB 4.36Å; W263-F423 HydrophobicContact CB-CD2 4.3Å; W263-F423 HydrophobicContact CB-CE2 3.88Å; W263-F423 HydrophobicContact CD2-CE2 4.3Å; W263-F423 HydrophobicContact CE3-CE2 4.5Å; W263-F423 HydrophobicContact CG-CE2 4.01Å; F313-F423 HydrophobicContact CB-CE1 4.35Å; F313-F423 WeakPolarHBondContact O-CE1 3.37Å; L314-F423 HydrophobicContact CD2-CZ 4.08Å; C335-F423 HydrophobicContact CB-CE2 4.03Å; C335-F423 HydrophobicContact CB-CZ 4.45Å; C335-F423 CarbonylContact O-C 3.59Å; C335-F423 WeakPolarHBondContact O-CA 3.43Å; C335-F423 WeakPolarHBondContact O-CD2 3.4Å; V336-F423 HydrophobicContact CG1-CD2 4.25Å; F423-E425 VanDerWaalsContact C-N 3.31Å; F423-E425 HydrophobicContact CD1-CB 4.11Å; F423-E425 HydrophobicContact CE1-CB 3.87Å; F423-E425 PolarHBondContact O-N 3.32Å; F423-I426 HydrophobicContact CB-CD1 3.98Å; F423-I426 HydrophobicContact CB-CG1 4.36Å; F423-I426 HydrophobicContact CD1-CD1 4.4Å; F423-I426 HydrophobicContact CD1-CG1 4.15Å; F423-I426 PolarHBondContact O-N 3.31Å; F423-K427 PolarHBondContact O-N 3.19Å
424V76.6Confident66.2Low24 Ų2450.9 Ų50.915%0.14525%0.247CC..Hα-helixtrans-61.1-39.4-166.7173.80000111.8N334 C335 M337 L422 I426 K427 K428N334-V424 HydrophobicContact CB-CG2 4.33Å; N334-V424 WeakPolarHBondContact O-CB 3.48Å; N334-V424 WeakPolarHBondContact O-CG2 3.48Å; C335-V424 PolarHBondContact O-N 2.96Å; M337-V424 HydrophobicContact CB-CG2 3.93Å; M337-V424 HydrophobicContact CG-CG2 3.93Å; M337-V424 HydrophobicContact SD-CG2 4.34Å; L422-V424 PolarHBondContact O-N 3.43Å; V424-I426 VanDerWaalsContact C-N 3.33Å; V424-I426 PolarHBondContact O-N 2.98Å; V424-K427 WeakPolarHBondContact O-CB 3.46Å; V424-K427 PolarHBondContact O-N 2.89Å; V424-K427 VanDerWaalsContact O-N 3.11Å; V424-K428 PolarHBondContact O-N 3.11Å
425E69Low63.9Low53 Ų5358.1 Ų58.125%0.24829%0.285CS..Hα-helixtrans-69.6-31.5-175.2-156.454.7-144.400112.6F423 K428 R429F423-E425 VanDerWaalsContact C-N 3.31Å; F423-E425 HydrophobicContact CD1-CB 4.11Å; F423-E425 HydrophobicContact CE1-CB 3.87Å; F423-E425 PolarHBondContact O-N 3.32Å; E425-K428 WeakPolarHBondContact OE2-CD 3.29Å; E425-K428 IonicContact OE2-NZ 2.76Å; E425-K428 PolarHBondContact OE2-NZ 3.06Å; E425-R429 WeakPolarHBondContact O-CG 3.46Å; E425-R429 PolarHBondContact O-N 2.72Å
426I62.7Low61.9Low21 Ų2165.6 Ų65.611%0.10831%0.313CS..Hα-helixtrans-63.9-46.6170.2-63.4172.9000109.3V255 N256 F259 F423 V424 K428 R429 V430V255-I426 HydrophobicContact CG1-CD1 4.07Å; N256-I426 HydrophobicContact CB-CD1 4.42Å; F259-I426 HydrophobicContact CB-CD1 3.79Å; F259-I426 HydrophobicContact CD2-CD1 3.52Å; F259-I426 HydrophobicContact CD2-CG1 4.31Å; F259-I426 HydrophobicContact CE2-CD1 4.25Å; F259-I426 HydrophobicContact CG-CD1 3.76Å; F259-I426 HydrophobicContact CG-CG1 4.49Å; F423-I426 HydrophobicContact CB-CD1 3.98Å; F423-I426 HydrophobicContact CB-CG1 4.36Å; F423-I426 HydrophobicContact CD1-CD1 4.4Å; F423-I426 HydrophobicContact CD1-CG1 4.15Å; F423-I426 PolarHBondContact O-N 3.31Å; V424-I426 VanDerWaalsContact C-N 3.33Å; V424-I426 PolarHBondContact O-N 2.98Å; I426-K428 PolarHBondContact O-N 2.89Å; I426-R429 PolarHBondContact O-N 2.85Å; I426-V430 HydrophobicContact CG2-CG2 4.36Å; I426-V430 WeakPolarHBondContact O-CG2 3.45Å; I426-V430 PolarHBondContact O-N 3.16Å
427K63.7Low61Low68 Ų6862.7 Ų62.730%0.29630%0.302SS..Hα-helixtrans-63.6-38.5-179-172.4-178.7-178174.20113M337 F423 V424 R429 V430 K431M337-K427 VanDerWaalsContact CE-NZ 3.33Å; M337-K427 HydrophobicContact SD-CD 3.51Å; M337-K427 VanDerWaalsContact SD-CD 3.51Å; M337-K427 PolarHBondContact SD-NZ 3.3Å; F423-K427 PolarHBondContact O-N 3.19Å; V424-K427 WeakPolarHBondContact O-CB 3.46Å; V424-K427 PolarHBondContact O-N 2.89Å; V424-K427 VanDerWaalsContact O-N 3.11Å; K427-R429 VanDerWaalsContact C-N 3.33Å; K427-V430 PolarHBondContact O-N 3.43Å; K427-K431 WeakPolarHBondContact O-CB 3.5Å; K427-K431 PolarHBondContact O-N 3.09Å
428K63.3Low59.8Low117 Ų11765.8 Ų65.851%0.50932%0.317SS..Hα-helixtrans-60.1-44.4176.3-76179.6-168.31590111.3V424 E425 I426 K431 S432V424-K428 PolarHBondContact O-N 3.11Å; E425-K428 WeakPolarHBondContact OE2-CD 3.29Å; E425-K428 IonicContact OE2-NZ 2.76Å; E425-K428 PolarHBondContact OE2-NZ 3.06Å; I426-K428 PolarHBondContact O-N 2.89Å; K428-K431 PolarHBondContact O-N 3.44Å; K428-S432 PolarHBondContact O-N 3.05Å; K428-S432 PolarHBondContact O-OG 3.22Å
429R52Low58.7Low77 Ų7768.8 Ų68.829%0.29133%0.332SS..Hα-helixtrans-68.7-36178.8-66.2178.5-179.9-139.613.9112.5M161 S312 E425 I426 K427 S432M161-R429 HydrophobicContact CE-CB 3.8Å; M161-R429 HydrophobicContact SD-CB 4.06Å; S312-R429 PolarHBondContact O-NH2 3.21Å; S312-R429 PolarHBondContact OG-NH2 2.92Å; E425-R429 WeakPolarHBondContact O-CG 3.46Å; E425-R429 PolarHBondContact O-N 2.72Å; I426-R429 PolarHBondContact O-N 2.85Å; K427-R429 VanDerWaalsContact C-N 3.33Å; R429-S432 WeakPolarHBondContact CA-OG 3.34Å; R429-S432 PolarHBondContact O-OG 3.19Å
430V48.6Very low57.8Low41 Ų4171.4 Ų71.425%0.24834%0.339CS..Hα-helixtrans-66.4-41.4170.7174.60000111.3I426 K427 S432 M433 F434I426-V430 HydrophobicContact CG2-CG2 4.36Å; I426-V430 WeakPolarHBondContact O-CG2 3.45Å; I426-V430 PolarHBondContact O-N 3.16Å; K427-V430 PolarHBondContact O-N 3.43Å; V430-S432 PolarHBondContact O-N 3.41Å; V430-M433 VanDerWaalsContact O-CB 3.25Å; V430-M433 WeakPolarHBondContact O-CB 3.39Å; V430-M433 PolarHBondContact O-N 3.45Å; V430-M433 VanDerWaalsContact O-N 3.09Å; V430-F434 HydrophobicContact CG1-CD2 4.37Å; V430-F434 HydrophobicContact CG1-CE2 3.81Å; V430-F434 WeakPolarHBondContact O-CD2 3.47Å
431K43.9Very low56.3Low123 Ų12375.7 Ų75.754%0.53536%0.359SS..Hα-helixtrans-65.3-36.2177.8-86.1-171.7170.1-170.50113.1K427 K428 M433 F434 L435K427-K431 WeakPolarHBondContact O-CB 3.5Å; K427-K431 PolarHBondContact O-N 3.09Å; K428-K431 PolarHBondContact O-N 3.44Å; K431-M433 PolarHBondContact O-N 3.14Å; K431-F434 PolarHBondContact O-N 3.31Å; K431-F434 VanDerWaalsContact O-N 3.12Å; K431-L435 PolarHBondContact O-N 2.68Å
432S42.8Very low54.6Low65 Ų6580.7 Ų80.746%0.45538%0.383SS..Hα-helixtrans-63.1-19.8173.748.80000113.2K428 R429 V430K428-S432 PolarHBondContact O-N 3.05Å; K428-S432 PolarHBondContact O-OG 3.22Å; R429-S432 WeakPolarHBondContact CA-OG 3.34Å; R429-S432 PolarHBondContact O-OG 3.19Å; V430-S432 PolarHBondContact O-N 3.41Å
433M35.6Very low52.9Low64 Ų6484.6 Ų84.632%0.31540%0.4SS..Hα-helixtrans-74.3-25.7173.7-64.3168.1137.700113.4M161 E188 V430 K431M161-M433 HydrophobicContact CE-CE 3.47Å; M161-M433 VanDerWaalsContact CE-CE 3.47Å; M161-M433 HydrophobicContact CE-CG 4.5Å; M161-M433 HydrophobicContact CE-SD 3.77Å; M161-M433 HydrophobicContact CG-CE 3.98Å; M161-M433 HydrophobicContact SD-CE 4.44Å; E188-M433 HydrophobicContact CG-CE 4.13Å; V430-M433 VanDerWaalsContact O-CB 3.25Å; V430-M433 WeakPolarHBondContact O-CB 3.39Å; V430-M433 PolarHBondContact O-N 3.45Å; V430-M433 VanDerWaalsContact O-N 3.09Å; K431-M433 PolarHBondContact O-N 3.14Å
434F35.1Very low50.8Low136 Ų13690.9 Ų90.960%0.59643%0.43SS*.Hα-helixtrans-96.4-13.9-178.3-68.4-74.3000113.9V430 K431V430-F434 HydrophobicContact CG1-CD2 4.37Å; V430-F434 HydrophobicContact CG1-CE2 3.81Å; V430-F434 WeakPolarHBondContact O-CD2 3.47Å; K431-F434 PolarHBondContact O-N 3.31Å; K431-F434 VanDerWaalsContact O-N 3.12Å
435L33.6Very low48.7Very low154 Ų15496.5 Ų96.581%0.80645%0.454SS*.  trans-97.1-0.1179.7-77.6164.8000113.2K431K431-L435 PolarHBondContact O-N 2.68Å
436K33.9Very low46.8Very low239 Ų239100.5 Ų100.5100%1.03947%0.473SS*.  trans-113.50167.1-71.2-175.8178.1-1800108.1

Retrieved 436 of 436 residues in 1261.9 ms (Link to these results)

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