A0A077ZKF8_TRITR Loading...

Pilus PilP and PAP PilO and T2SE domain containin g protein

AlphaFold DB , UniProt , Accession A0A077ZKF8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 995 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M67Low79.8Confident105 Ų10585.5 Ų85.552%0.51747%0.473SS..  01440-63.1176.6-15700105.8I26 A43 V45 L160M1-I26 HydrophobicContact SD-CG2 4.3Å; M1-A43 HydrophobicContact CB-CB 3.8Å; M1-A43 HydrophobicContact SD-CB 4.19Å; M1-V45 HydrophobicContact CE-CG2 4.16Å; M1-V45 HydrophobicContact CG-CG2 3.9Å; M1-V45 HydrophobicContact SD-CG2 3.66Å; M1-L160 HydrophobicContact CE-CD1 3.82Å; M1-L160 HydrophobicContact CE-CD2 4.12Å; M1-L160 HydrophobicContact CE-CG 4.39Å; M1-L160 HydrophobicContact SD-CD2 4.16Å
2D74.8Confident80.4Confident113 Ų11383.8 Ų83.860%0.60446%0.463SS*.  trans-91.4117.9179.8-172.127.1000109.3K4D2-K4 WeakPolarHBondContact OD2-CE 3.35Å; D2-K4 IonicContact OD2-NZ 3.96Å
3W79.2Confident80.9Confident30 Ų3078.9 Ų78.911%0.11444%0.437CS..EExtended strand (participates in β ladder)trans-83.9123-178.2-72.1101.7000109.8I26 C28 M41 A43 L97 D100W3-I26 HydrophobicContact CH2-CG2 3.72Å; W3-I26 HydrophobicContact CZ2-CG2 4.29Å; W3-I26 HydrophobicContact CZ3-CG2 4.15Å; W3-C28 HydrophobicContact CH2-CB 4.33Å; W3-C28 HydrophobicContact CZ3-CB 4.36Å; W3-C28 VanDerWaalsContact CZ3-SG 3.52Å; W3-M41 HydrophobicContact CB-CB 4.4Å; W3-M41 HydrophobicContact CB-CE 3.39Å; W3-M41 HydrophobicContact CB-SD 3.99Å; W3-M41 HydrophobicContact CD2-CB 4.48Å; W3-M41 HydrophobicContact CE3-CB 3.66Å; W3-M41 HydrophobicContact CZ3-CB 4.32Å; W3-M41 WeakPolarHBondContact O-CE 3.16Å; W3-A43 HydrophobicContact CD2-CB 3.62Å; W3-A43 HydrophobicContact CE3-CB 3.56Å; W3-A43 HydrophobicContact CG-CB 4.22Å; W3-A43 HydrophobicContact CH2-CB 4.16Å; W3-A43 HydrophobicContact CZ2-CB 4.18Å; W3-A43 HydrophobicContact CZ3-CB 3.85Å; W3-L97 HydrophobicContact CZ2-CD2 4.07Å; W3-D100 PolarHBondContact NE1-OD2 3.5Å
4K83.1Confident81.3Confident87 Ų8777.3 Ų77.338%0.37842%0.421SS..EExtended strand (participates in β ladder)trans-122.3132.6179.3-63.8-175.3-178.9-174.10111D2 L6 F16 L20 M41 V42D2-K4 WeakPolarHBondContact OD2-CE 3.35Å; D2-K4 IonicContact OD2-NZ 3.96Å; K4-L6 PolarHBondContact O-N 3.5Å; K4-F16 HydrophobicContact CB-CE1 3.86Å; K4-F16 HydrophobicContact CB-CZ 4.08Å; K4-L20 HydrophobicContact CD-CD1 4.2Å; K4-M41 CarbonylContact O-C 3.55Å; K4-M41 WeakPolarHBondContact O-CA 3.35Å; K4-V42 PolarHBondContact N-O 3.07Å; K4-V42 PolarHBondContact O-N 3.41Å
5T83.4Confident81.6Confident58 Ų5876 Ų7636%0.35642%0.417SS..EExtended strand (participates in β ladder)trans-56133.2172.1-53.10000110.9P7 Y30 H39T5-P7 WeakPolarHBondContact O-CD 3.38Å; T5-Y30 WeakPolarHBondContact CB-OH 3.39Å; T5-Y30 HydrophobicContact CG2-CE1 3.89Å; T5-Y30 WeakPolarHBondContact CG2-OH 3.29Å; T5-Y30 PolarHBondContact OG1-OH 3.24Å; T5-H39 HydrophobicContact CG2-CB 4.33Å
6L84.8Confident82.1Confident28 Ų2872.4 Ų72.415%0.14740%0.396CS..  trans-65.9113.7174.1179.963.9000108.9K4 H10 P13 F16 I40 V42K4-L6 PolarHBondContact O-N 3.5Å; L6-H10 HydrophobicContact CD1-CB 3.81Å; L6-P13 HydrophobicContact CD2-CG 4.13Å; L6-F16 HydrophobicContact CD1-CB 3.44Å; L6-F16 VanDerWaalsContact CD1-CB 3.44Å; L6-F16 HydrophobicContact CD1-CD1 4.01Å; L6-F16 HydrophobicContact CD1-CG 3.88Å; L6-I40 HydrophobicContact CB-CB 4.15Å; L6-I40 VanDerWaalsContact CB-O 3.24Å; L6-I40 WeakPolarHBondContact CB-O 3.45Å; L6-I40 HydrophobicContact CD2-CB 4.25Å; L6-I40 HydrophobicContact CD2-CD1 4.28Å; L6-I40 PolarHBondContact N-O 2.97Å; L6-V42 HydrophobicContact CB-CG2 4.18Å; L6-V42 HydrophobicContact CD1-CG2 4.3Å
7P83.7Confident82.4Confident47 Ų4768.1 Ų68.131%0.30537%0.372SS..  trans-67.6144.2179.2-16.430.7000110.4T5 S9 H10 F16T5-P7 WeakPolarHBondContact O-CD 3.38Å; P7-S9 PolarHBondContact O-N 2.76Å; P7-H10 PolarHBondContact O-N 3.34Å; P7-F16 VanDerWaalsContact CD-CE2 3.44Å; P7-F16 HydrophobicContact CG-CD2 3.93Å; P7-F16 HydrophobicContact CG-CE2 3.52Å; P7-F16 HydrophobicContact CG-CZ 3.92Å
8A79.6Confident82.5Confident116 Ų11673.2 Ų73.296%0.95939%0.385SS*.THydrogen-bonded Turntrans-55-20.7176.400000114H10A8-H10 VanDerWaalsContact C-N 3.26Å; A8-H10 PolarHBondContact O-N 3.36Å
9S82.7Confident82.7Confident98 Ų9873.1 Ų73.169%0.68539%0.391SS*.THydrogen-bonded Turntrans-69.5-17.5174.860.30000114.4P7P7-S9 PolarHBondContact O-N 2.76Å
10H81.9Confident82.8Confident51 Ų5173 Ų7324%0.23639%0.39CS..  trans-108.3120.9-178.5-7377.5000111.3L6 P7 A8 N12 F16 S19L6-H10 HydrophobicContact CD1-CB 3.81Å; P7-H10 PolarHBondContact O-N 3.34Å; A8-H10 VanDerWaalsContact C-N 3.26Å; A8-H10 PolarHBondContact O-N 3.36Å; H10-N12 PolarHBondContact O-N 3.06Å; H10-F16 HydrophobicContact CB-CB 4Å; H10-S19 PolarHBondContact NE2-OG 3.33Å
11K77.9Confident82.8Confident208 Ų20872.3 Ų72.390%0.90440%0.401SS*.SBendtrans-63.6-22.4-177.2-70.9-171.2176.7-1740114.8
12N86.6Confident83.6Confident65 Ų6567.9 Ų67.935%0.34838%0.381SS..SBendtrans-158.9157-18058.666.7000112.4H10 R14 T15 F16H10-N12 PolarHBondContact O-N 3.06Å; N12-R14 PolarHBondContact O-N 3.36Å; N12-R14 VanDerWaalsContact O-N 3.13Å; N12-R14 WeakPolarHBondContact OD1-CB 3.4Å; N12-R14 PolarHBondContact OD1-N 3.1Å; N12-T15 PolarHBondContact N-OG1 3.35Å; N12-T15 PolarHBondContact O-N 3.08Å; N12-T15 VanDerWaalsContact O-N 3.11Å; N12-T15 PolarHBondContact O-OG1 3.44Å; N12-T15 WeakPolarHBondContact OD1-CG2 2.94Å; N12-T15 PolarHBondContact OD1-N 3.21Å; N12-T15 PolarHBondContact OD1-OG1 2.87Å; N12-F16 PolarHBondContact O-N 3.21Å
13P86.6Confident83.9Confident20 Ų2064.9 Ų64.913%0.1337%0.366CS..Hα-helixtrans-51.4-36.6178.2-33.338.9000115.2L6 F16 A17 Y25 I40 V42L6-P13 HydrophobicContact CD2-CG 4.13Å; P13-F16 PolarHBondContact O-N 3.04Å; P13-A17 WeakPolarHBondContact O-CB 3.45Å; P13-A17 PolarHBondContact O-N 3.49Å; P13-Y25 HydrophobicContact CB-CD2 4.04Å; P13-Y25 HydrophobicContact CB-CE2 3.76Å; P13-I40 HydrophobicContact CG-CG2 3.79Å; P13-V42 HydrophobicContact CB-CG1 4.29Å; P13-V42 HydrophobicContact CB-CG2 3.66Å; P13-V42 HydrophobicContact CG-CG2 4.16Å
14R87.3Confident84.2Confident56 Ų5665.9 Ų65.921%0.21137%0.37CS..Hα-helixtrans-64.8-43-179.2-176.1178.1172-154.7-6.7112.2N12 F16 R18 Y25 V163 R165N12-R14 PolarHBondContact O-N 3.36Å; N12-R14 VanDerWaalsContact O-N 3.13Å; N12-R14 WeakPolarHBondContact OD1-CB 3.4Å; N12-R14 PolarHBondContact OD1-N 3.1Å; R14-F16 VanDerWaalsContact C-N 3.31Å; R14-R18 WeakPolarHBondContact O-CB 3.46Å; R14-R18 PolarHBondContact O-N 3.27Å; R14-Y25 HydrophobicContact CB-CD1 4.49Å; R14-Y25 HydrophobicContact CB-CE1 3.7Å; R14-Y25 HydrophobicContact CB-CE2 4.4Å; R14-Y25 HydrophobicContact CG-CD1 4.44Å; R14-Y25 HydrophobicContact CG-CE1 3.72Å; R14-V163 PolarHBondContact NE-O 2.81Å; R14-V163 PolarHBondContact NH2-O 3.26Å; R14-R165 VanDerWaalsContact NH2-CG 3.32Å; R14-R165 VanDerWaalsContact NH2-N 3.14Å
15T86Confident84.4Confident58 Ų5863.4 Ų63.436%0.35636%0.358SS..Hα-helixtrans-64.6-38177.6490000111.7N12 R18 S19N12-T15 PolarHBondContact N-OG1 3.35Å; N12-T15 PolarHBondContact O-N 3.08Å; N12-T15 VanDerWaalsContact O-N 3.11Å; N12-T15 PolarHBondContact O-OG1 3.44Å; N12-T15 WeakPolarHBondContact OD1-CG2 2.94Å; N12-T15 PolarHBondContact OD1-N 3.21Å; N12-T15 PolarHBondContact OD1-OG1 2.87Å; T15-R18 WeakPolarHBondContact O-CB 3.49Å; T15-R18 PolarHBondContact O-N 3.03Å; T15-S19 PolarHBondContact O-N 3.09Å
16F89.3Confident84.7Confident18 Ų1860.7 Ų60.78%0.07934%0.342CS..Hα-helixtrans-70.8-42.9176.3-179.1-125.5000112.8K4 L6 P7 H10 N12 P13 R14 R18 S19 L20 V42K4-F16 HydrophobicContact CB-CE1 3.86Å; K4-F16 HydrophobicContact CB-CZ 4.08Å; L6-F16 HydrophobicContact CD1-CB 3.44Å; L6-F16 VanDerWaalsContact CD1-CB 3.44Å; L6-F16 HydrophobicContact CD1-CD1 4.01Å; L6-F16 HydrophobicContact CD1-CG 3.88Å; P7-F16 VanDerWaalsContact CD-CE2 3.44Å; P7-F16 HydrophobicContact CG-CD2 3.93Å; P7-F16 HydrophobicContact CG-CE2 3.52Å; P7-F16 HydrophobicContact CG-CZ 3.92Å; H10-F16 HydrophobicContact CB-CB 4Å; N12-F16 PolarHBondContact O-N 3.21Å; P13-F16 PolarHBondContact O-N 3.04Å; R14-F16 VanDerWaalsContact C-N 3.31Å; F16-R18 PolarHBondContact O-N 3.37Å; F16-S19 PolarHBondContact O-N 2.94Å; F16-S19 VanDerWaalsContact O-N 3.08Å; F16-S19 PolarHBondContact O-OG 3.38Å; F16-L20 HydrophobicContact CD1-CD1 4.35Å; F16-L20 HydrophobicContact CE1-CD1 3.98Å; F16-L20 HydrophobicContact CE2-CD1 4.4Å; F16-L20 HydrophobicContact CE2-CD2 4.5Å; F16-L20 HydrophobicContact CE2-CG 4.39Å; F16-L20 HydrophobicContact CZ-CD1 4.01Å; F16-L20 HydrophobicContact CZ-CG 4.46Å; F16-L20 WeakPolarHBondContact O-CG 3.19Å; F16-L20 PolarHBondContact O-N 3.07Å; F16-L20 VanDerWaalsContact O-N 3.1Å; F16-V42 HydrophobicContact CD1-CB 3.87Å; F16-V42 HydrophobicContact CD1-CG1 4.32Å; F16-V42 HydrophobicContact CD1-CG2 3.9Å; F16-V42 HydrophobicContact CE1-CB 4.27Å
17A86.4Confident84.8Confident0 Ų061.3 Ų61.30%035%0.349CS..Hα-helixtrans-59.9-33.1172.300000112.3P13 L20 G21 A22 Y25 V42 A44 V163P13-A17 WeakPolarHBondContact O-CB 3.45Å; P13-A17 PolarHBondContact O-N 3.49Å; A17-L20 PolarHBondContact O-N 2.68Å; A17-G21 PolarHBondContact O-N 3.4Å; A17-A22 HydrophobicContact CB-CB 4.48Å; A17-A22 WeakPolarHBondContact O-CB 3.43Å; A17-A22 PolarHBondContact O-N 2.75Å; A17-A22 VanDerWaalsContact O-N 3.09Å; A17-Y25 HydrophobicContact CB-CD1 4.26Å; A17-Y25 HydrophobicContact CB-CG 3.82Å; A17-V42 HydrophobicContact CB-CG1 4.22Å; A17-A44 HydrophobicContact CB-CB 4.2Å; A17-V163 HydrophobicContact CB-CG2 3.89Å
18R84.9Confident84.8Confident159 Ų15959.9 Ų59.960%0.634%0.339SS*.Hα-helixtrans-66.8-41.3173.7-162.6178.9-137.4175.60.8112.5R14 T15 F16 L20 G21 V163R14-R18 WeakPolarHBondContact O-CB 3.46Å; R14-R18 PolarHBondContact O-N 3.27Å; T15-R18 WeakPolarHBondContact O-CB 3.49Å; T15-R18 PolarHBondContact O-N 3.03Å; F16-R18 PolarHBondContact O-N 3.37Å; R18-L20 PolarHBondContact O-N 3.35Å; R18-G21 PolarHBondContact O-N 2.9Å; R18-G21 VanDerWaalsContact O-N 3.07Å; R18-V163 HydrophobicContact CB-CG1 3.54Å; R18-V163 HydrophobicContact CG-CG1 3.74Å
19S86.2Confident84.7Confident72 Ų7259.6 Ų59.650%0.50332%0.318SS..Hα-helixtrans-66.3-24.4176.5670000112.4H10 T15 F16 G21H10-S19 PolarHBondContact NE2-OG 3.33Å; T15-S19 PolarHBondContact O-N 3.09Å; F16-S19 PolarHBondContact O-N 2.94Å; F16-S19 VanDerWaalsContact O-N 3.08Å; F16-S19 PolarHBondContact O-OG 3.38Å; S19-G21 VanDerWaalsContact C-N 3.28Å; S19-G21 PolarHBondContact O-N 3.18Å
20L85.2Confident84.3Confident71 Ų7156.5 Ų56.537%0.37229%0.292SS..THydrogen-bonded Turntrans-81.71.8172.7-63.4174.3000114K4 F16 A17 R18 A22 A44K4-L20 HydrophobicContact CD-CD1 4.2Å; F16-L20 HydrophobicContact CD1-CD1 4.35Å; F16-L20 HydrophobicContact CE1-CD1 3.98Å; F16-L20 HydrophobicContact CE2-CD1 4.4Å; F16-L20 HydrophobicContact CE2-CD2 4.5Å; F16-L20 HydrophobicContact CE2-CG 4.39Å; F16-L20 HydrophobicContact CZ-CD1 4.01Å; F16-L20 HydrophobicContact CZ-CG 4.46Å; F16-L20 WeakPolarHBondContact O-CG 3.19Å; F16-L20 PolarHBondContact O-N 3.07Å; F16-L20 VanDerWaalsContact O-N 3.1Å; A17-L20 PolarHBondContact O-N 2.68Å; R18-L20 PolarHBondContact O-N 3.35Å; L20-A22 VanDerWaalsContact C-N 3.29Å; L20-A22 PolarHBondContact O-N 2.94Å; L20-A44 HydrophobicContact CB-CB 4.4Å; L20-A44 HydrophobicContact CD1-CB 3.88Å
21G82.5Confident83.4Confident59 Ų5957.5 Ų57.561%0.60830%0.299SS*.THydrogen-bonded Turntrans72.218.1-178.900000114.6A17 R18 S19A17-G21 PolarHBondContact O-N 3.4Å; R18-G21 PolarHBondContact O-N 2.9Å; R18-G21 VanDerWaalsContact O-N 3.07Å; S19-G21 VanDerWaalsContact C-N 3.28Å; S19-G21 PolarHBondContact O-N 3.18Å
22A83Confident82.7Confident12 Ų1248.4 Ų48.410%0.09926%0.261CS..  trans-80.6153.7-178.400000113.3A17 L20 A44 V45 V163A17-A22 HydrophobicContact CB-CB 4.48Å; A17-A22 WeakPolarHBondContact O-CB 3.43Å; A17-A22 PolarHBondContact O-N 2.75Å; A17-A22 VanDerWaalsContact O-N 3.09Å; L20-A22 VanDerWaalsContact C-N 3.29Å; L20-A22 PolarHBondContact O-N 2.94Å; A22-A44 HydrophobicContact CB-CB 3.6Å; A22-V45 WeakPolarHBondContact CB-O 3.26Å; A22-V163 HydrophobicContact CB-CG2 4.45Å; A22-V163 WeakPolarHBondContact O-CB 3.41Å; A22-V163 WeakPolarHBondContact O-CG2 3.46Å
23V82.4Confident81.3Confident49 Ų4952.2 Ų52.230%0.29729%0.287SS..SBendtrans-97.1-31.1175.3-179.40000111.4V45 Q47 V163V23-V45 PolarHBondContact N-O 2.85Å; V23-Q47 HydrophobicContact CG2-CB 3.63Å; V23-Q47 HydrophobicContact CG2-CG 4.1Å; V23-V163 PolarHBondContact O-N 3.49Å
24R84.9Confident80.2Confident51 Ų5159.9 Ų59.919%0.19232%0.321CS..EExtended strand (participates in β ladder)trans-132.6156.4172.6-62-162.7179.4-164.94.7111.3V45 L50 R55 L160 H161R24-V45 PolarHBondContact N-O 2.93Å; R24-V45 PolarHBondContact O-N 2.84Å; R24-L50 HydrophobicContact CG-CD1 4.42Å; R24-R55 PolarHBondContact NH1-O 2.8Å; R24-L160 HydrophobicContact CB-CB 4.14Å; R24-L160 HydrophobicContact CB-CD2 4.09Å; R24-H161 CarbonylContact C-O 3.56Å; R24-H161 WeakPolarHBondContact CA-O 3.48Å; R24-H161 WeakPolarHBondContact CB-O 3.47Å
25Y88Confident79.1Confident35 Ų3560.3 Ų60.314%0.13733%0.327CS..EExtended strand (participates in β ladder)trans-143.3159.9177.377.6-80000111.1P13 R14 A17 V42 A43 L160 H161 V163P13-Y25 HydrophobicContact CB-CD2 4.04Å; P13-Y25 HydrophobicContact CB-CE2 3.76Å; R14-Y25 HydrophobicContact CB-CD1 4.49Å; R14-Y25 HydrophobicContact CB-CE1 3.7Å; R14-Y25 HydrophobicContact CB-CE2 4.4Å; R14-Y25 HydrophobicContact CG-CD1 4.44Å; R14-Y25 HydrophobicContact CG-CE1 3.72Å; A17-Y25 HydrophobicContact CB-CD1 4.26Å; A17-Y25 HydrophobicContact CB-CG 3.82Å; Y25-V42 HydrophobicContact CD2-CG1 4.26Å; Y25-A43 CarbonylContact C-O 3.57Å; Y25-A43 VanDerWaalsContact CA-O 3.29Å; Y25-A43 WeakPolarHBondContact CA-O 3.19Å; Y25-L160 CarbonylContact O-C 3.58Å; Y25-H161 HydrophobicContact CD1-CB 4.08Å; Y25-H161 WeakPolarHBondContact CD1-O 3.47Å; Y25-H161 HydrophobicContact CE1-CB 3.62Å; Y25-H161 HydrophobicContact CE2-CB 4.47Å; Y25-H161 PolarHBondContact N-O 2.76Å; Y25-H161 PolarHBondContact O-N 3.43Å; Y25-V163 HydrophobicContact CD1-CG2 3.82Å
26I88.2Confident77.9Confident1 Ų163.2 Ų63.21%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-134.8152.2166.5-167.1171.5000107.6M1 W3 V42 A43 M62 E157M1-I26 HydrophobicContact SD-CG2 4.3Å; W3-I26 HydrophobicContact CH2-CG2 3.72Å; W3-I26 HydrophobicContact CZ2-CG2 4.29Å; W3-I26 HydrophobicContact CZ3-CG2 4.15Å; I26-V42 WeakPolarHBondContact O-CA 3.13Å; I26-A43 HydrophobicContact CG2-CB 3.67Å; I26-A43 PolarHBondContact N-O 2.92Å; I26-A43 PolarHBondContact O-N 3.06Å; I26-M62 HydrophobicContact CD1-CB 4.42Å; I26-M62 HydrophobicContact CD1-CG 3.69Å; I26-E157 WeakPolarHBondContact CD1-O 3.29Å
27S88.1Confident76.7Confident42 Ų4267.3 Ų67.329%0.29437%0.368SS..EExtended strand (participates in β ladder)trans-139.8143.4179.454.30000110.7M41S27-M41 WeakPolarHBondContact CA-O 3.34Å; S27-M41 WeakPolarHBondContact CB-O 3.35Å
28C82.7Confident75.9Confident16 Ų1675.8 Ų75.811%0.10840%0.4CS..EExtended strand (participates in β ladder)trans-137.3157.5173.566.40000109.9W3 I40 M41 M62W3-C28 HydrophobicContact CH2-CB 4.33Å; W3-C28 HydrophobicContact CZ3-CB 4.36Å; W3-C28 VanDerWaalsContact CZ3-SG 3.52Å; C28-I40 CarbonylContact O-C 3.57Å; C28-I40 WeakPolarHBondContact O-CA 3.26Å; C28-M41 PolarHBondContact N-O 3.46Å; C28-M41 VanDerWaalsContact N-O 3.14Å; C28-M41 PolarHBondContact O-N 3.08Å; C28-M62 HydrophobicContact CB-CE 4.39Å; C28-M62 HydrophobicContact CB-SD 3.76Å
29E77.7Confident75.5Confident111 Ų11170.7 Ų70.752%0.51938%0.383SS..EExtended strand (participates in β ladder)trans-76.8144.9169.9-68.9-176.2-17700109.9R38 H39E29-R38 IonicContact OE2-NH1 3.29Å; E29-R38 PolarHBondContact OE2-NH1 2.98Å; E29-H39 CarbonylContact C-O 3.6Å; E29-H39 WeakPolarHBondContact CA-O 3.47Å
30Y74.3Confident75.4Confident32 Ų3270.2 Ų70.213%0.12537%0.374CS..EExtended strand (participates in β ladder)trans-138.7153.3170.884.4-77.8000111.2T5 R38 H39 M41T5-Y30 WeakPolarHBondContact CB-OH 3.39Å; T5-Y30 HydrophobicContact CG2-CE1 3.89Å; T5-Y30 WeakPolarHBondContact CG2-OH 3.29Å; T5-Y30 PolarHBondContact OG1-OH 3.24Å; Y30-R38 CarbonylContact O-C 3.46Å; Y30-R38 WeakPolarHBondContact O-CA 3.37Å; Y30-H39 HydrophobicContact CD1-CB 3.56Å; Y30-H39 WeakPolarHBondContact CD1-O 3.01Å; Y30-H39 HydrophobicContact CE1-CB 3.05Å; Y30-H39 HydrophobicContact CE2-CB 4.2Å; Y30-H39 HydrophobicContact CG-CB 4.4Å; Y30-H39 AromaticContact CZ-CG 3.97Å; Y30-H39 PolarHBondContact N-O 3.13Å; Y30-H39 PolarHBondContact O-N 2.88Å; Y30-M41 HydrophobicContact CD1-CB 4.18Å; Y30-M41 HydrophobicContact CD1-CG 3.04Å; Y30-M41 HydrophobicContact CD1-SD 4.07Å; Y30-M41 HydrophobicContact CD2-CG 4.39Å; Y30-M41 HydrophobicContact CD2-SD 4.46Å; Y30-M41 HydrophobicContact CE1-CG 3.38Å; Y30-M41 HydrophobicContact CE1-SD 4.46Å; Y30-M41 HydrophobicContact CG-CG 3.57Å; Y30-M41 HydrophobicContact CG-SD 4.01Å
31L63.8Low75.4Confident73 Ų7368.6 Ų68.638%0.38237%0.365SS..EExtended strand (participates in β ladder)trans-92.9125169.7-118.3101.9000107.8R38 I96L31-R38 HydrophobicContact CD1-CG 3.89Å; L31-I96 HydrophobicContact CB-CD1 3.72Å; L31-I96 HydrophobicContact CD1-CD1 3.11Å; L31-I96 HydrophobicContact CG-CD1 3.99Å
32S62.5Low75.5Confident16 Ų1665.8 Ų65.811%0.11234%0.336CS..  trans-72.7135171.9179.10000109.6E34 D35 T36 D37 H39S32-E34 PolarHBondContact O-N 3.36Å; S32-E34 PolarHBondContact OG-N 3.49Å; S32-E34 VanDerWaalsContact OG-N 3.16Å; S32-D35 WeakPolarHBondContact CB-OD1 3.47Å; S32-T36 PolarHBondContact O-N 2.69Å; S32-D37 PolarHBondContact N-O 3.11Å; S32-H39 WeakPolarHBondContact CB-CD2 3.36Å
33T56.7Low75.7Confident146 Ų14665.2 Ų65.290%0.89633%0.332SS*.THydrogen-bonded Turntrans-66.8-14.7170.947.50000112.4
34E63.2Low75.8Confident180 Ų18064.2 Ų64.284%0.84133%0.328SS*.THydrogen-bonded Turntrans-92-31-176.2-63.6-173.9167.800114.3S32S32-E34 PolarHBondContact O-N 3.36Å; S32-E34 PolarHBondContact OG-N 3.49Å; S32-E34 VanDerWaalsContact OG-N 3.16Å
35D64.5Low75.5Confident65 Ų6562.4 Ų62.435%0.34832%0.323SS..THydrogen-bonded Turntrans-131.92.6-172.672.35.6000116S32 D37 H39S32-D35 WeakPolarHBondContact CB-OD1 3.47Å; D35-D37 PolarHBondContact O-N 3.32Å; D35-D37 WeakPolarHBondContact OD1-CB 3.15Å; D35-D37 PolarHBondContact OD1-N 3.22Å; D35-H39 IonicContact OD1-CD2 3.61Å; D35-H39 IonicContact OD1-NE2 2.92Å; D35-H39 PolarHBondContact OD1-NE2 2.81Å; D35-H39 IonicContact OD2-CE1 3.18Å; D35-H39 PolarHBondContact OD2-CE1 2.86Å; D35-H39 IonicContact OD2-NE2 2.73Å; D35-H39 PolarHBondContact OD2-NE2 2.95Å
36T60.5Low75Confident119 Ų11963.1 Ų63.173%0.7333%0.333SS*.SBendtrans56.63.7-175.453.90000115.4S32S32-T36 PolarHBondContact O-N 2.69Å
37D64.4Low74Confident105 Ų10569.9 Ų69.956%0.56136%0.364SS*.  trans-86.2154.5177.6-83.5-27.8000110.9S32 D35 H39S32-D37 PolarHBondContact N-O 3.11Å; D35-D37 PolarHBondContact O-N 3.32Å; D35-D37 WeakPolarHBondContact OD1-CB 3.15Å; D35-D37 PolarHBondContact OD1-N 3.22Å; D37-H39 PolarHBondContact O-CD2 3.3Å; D37-H39 VanDerWaalsContact O-CD2 3.22Å
38R69.9Low73Confident177 Ų17775.6 Ų75.667%0.66839%0.392SS*.EExtended strand (participates in β ladder)trans-81.4118.2172.8-70.2-174.6-179.2-167.82.7109.8E29 Y30 L31E29-R38 IonicContact OE2-NH1 3.29Å; E29-R38 PolarHBondContact OE2-NH1 2.98Å; Y30-R38 CarbonylContact O-C 3.46Å; Y30-R38 WeakPolarHBondContact O-CA 3.37Å; L31-R38 HydrophobicContact CD1-CG 3.89Å
39H77.8Confident72.3Confident52 Ų5279.3 Ų79.324%0.24141%0.414CS..EExtended strand (participates in β ladder)trans-108.9165.8173.6-66.1-86.5000109.9T5 E29 Y30 S32 D35 D37T5-H39 HydrophobicContact CG2-CB 4.33Å; E29-H39 CarbonylContact C-O 3.6Å; E29-H39 WeakPolarHBondContact CA-O 3.47Å; Y30-H39 HydrophobicContact CD1-CB 3.56Å; Y30-H39 WeakPolarHBondContact CD1-O 3.01Å; Y30-H39 HydrophobicContact CE1-CB 3.05Å; Y30-H39 HydrophobicContact CE2-CB 4.2Å; Y30-H39 HydrophobicContact CG-CB 4.4Å; Y30-H39 AromaticContact CZ-CG 3.97Å; Y30-H39 PolarHBondContact N-O 3.13Å; Y30-H39 PolarHBondContact O-N 2.88Å; S32-H39 WeakPolarHBondContact CB-CD2 3.36Å; D35-H39 IonicContact OD1-CD2 3.61Å; D35-H39 IonicContact OD1-NE2 2.92Å; D35-H39 PolarHBondContact OD1-NE2 2.81Å; D35-H39 IonicContact OD2-CE1 3.18Å; D35-H39 PolarHBondContact OD2-CE1 2.86Å; D35-H39 IonicContact OD2-NE2 2.73Å; D35-H39 PolarHBondContact OD2-NE2 2.95Å; D37-H39 PolarHBondContact O-CD2 3.3Å; D37-H39 VanDerWaalsContact O-CD2 3.22Å
40I83.1Confident71.8Confident62 Ų6276.1 Ų76.132%0.31840%0.4SS..EExtended strand (participates in β ladder)trans-108123.7175.7-59.8172.7000108.1L6 P13 C28 V42L6-I40 HydrophobicContact CB-CB 4.15Å; L6-I40 VanDerWaalsContact CB-O 3.24Å; L6-I40 WeakPolarHBondContact CB-O 3.45Å; L6-I40 HydrophobicContact CD2-CB 4.25Å; L6-I40 HydrophobicContact CD2-CD1 4.28Å; L6-I40 PolarHBondContact N-O 2.97Å; P13-I40 HydrophobicContact CG-CG2 3.79Å; C28-I40 CarbonylContact O-C 3.57Å; C28-I40 WeakPolarHBondContact O-CA 3.26Å; I40-V42 HydrophobicContact CG2-CG2 4.44Å
41M84.6Confident71.4Confident38 Ų3878.9 Ų78.919%0.18742%0.422CS..EExtended strand (participates in β ladder)trans-89.6149.3166-54.8-168.583.700110.2W3 K4 S27 C28 Y30W3-M41 HydrophobicContact CB-CB 4.4Å; W3-M41 HydrophobicContact CB-CE 3.39Å; W3-M41 HydrophobicContact CB-SD 3.99Å; W3-M41 HydrophobicContact CD2-CB 4.48Å; W3-M41 HydrophobicContact CE3-CB 3.66Å; W3-M41 HydrophobicContact CZ3-CB 4.32Å; W3-M41 WeakPolarHBondContact O-CE 3.16Å; K4-M41 CarbonylContact O-C 3.55Å; K4-M41 WeakPolarHBondContact O-CA 3.35Å; S27-M41 WeakPolarHBondContact CA-O 3.34Å; S27-M41 WeakPolarHBondContact CB-O 3.35Å; C28-M41 PolarHBondContact N-O 3.46Å; C28-M41 VanDerWaalsContact N-O 3.14Å; C28-M41 PolarHBondContact O-N 3.08Å; Y30-M41 HydrophobicContact CD1-CB 4.18Å; Y30-M41 HydrophobicContact CD1-CG 3.04Å; Y30-M41 HydrophobicContact CD1-SD 4.07Å; Y30-M41 HydrophobicContact CD2-CG 4.39Å; Y30-M41 HydrophobicContact CD2-SD 4.46Å; Y30-M41 HydrophobicContact CE1-CG 3.38Å; Y30-M41 HydrophobicContact CE1-SD 4.46Å; Y30-M41 HydrophobicContact CG-CG 3.57Å; Y30-M41 HydrophobicContact CG-SD 4.01Å
42V85.9Confident71.2Confident0 Ų085.8 Ų85.80%045%0.449CS..EExtended strand (participates in β ladder)trans-128.8120.7177.3-171.50000108.5K4 L6 P13 F16 A17 Y25 I26 I40K4-V42 PolarHBondContact N-O 3.07Å; K4-V42 PolarHBondContact O-N 3.41Å; L6-V42 HydrophobicContact CB-CG2 4.18Å; L6-V42 HydrophobicContact CD1-CG2 4.3Å; P13-V42 HydrophobicContact CB-CG1 4.29Å; P13-V42 HydrophobicContact CB-CG2 3.66Å; P13-V42 HydrophobicContact CG-CG2 4.16Å; F16-V42 HydrophobicContact CD1-CB 3.87Å; F16-V42 HydrophobicContact CD1-CG1 4.32Å; F16-V42 HydrophobicContact CD1-CG2 3.9Å; F16-V42 HydrophobicContact CE1-CB 4.27Å; A17-V42 HydrophobicContact CB-CG1 4.22Å; Y25-V42 HydrophobicContact CD2-CG1 4.26Å; I26-V42 WeakPolarHBondContact O-CA 3.13Å; I40-V42 HydrophobicContact CG2-CG2 4.44Å
43A86Confident71Confident0 Ų088.9 Ų88.90%048%0.484CS..EExtended strand (participates in β ladder)trans-99.2122.116800000108.9M1 W3 Y25 I26M1-A43 HydrophobicContact CB-CB 3.8Å; M1-A43 HydrophobicContact SD-CB 4.19Å; W3-A43 HydrophobicContact CD2-CB 3.62Å; W3-A43 HydrophobicContact CE3-CB 3.56Å; W3-A43 HydrophobicContact CG-CB 4.22Å; W3-A43 HydrophobicContact CH2-CB 4.16Å; W3-A43 HydrophobicContact CZ2-CB 4.18Å; W3-A43 HydrophobicContact CZ3-CB 3.85Å; Y25-A43 CarbonylContact C-O 3.57Å; Y25-A43 VanDerWaalsContact CA-O 3.29Å; Y25-A43 WeakPolarHBondContact CA-O 3.19Å; I26-A43 HydrophobicContact CG2-CB 3.67Å; I26-A43 PolarHBondContact N-O 2.92Å; I26-A43 PolarHBondContact O-N 3.06Å
44A84.7Confident70.9Confident28 Ų2884.5 Ų84.523%0.23146%0.459CS..EExtended strand (participates in β ladder)trans-114.9135.8-171.900000110.5A17 L20 A22A17-A44 HydrophobicContact CB-CB 4.2Å; L20-A44 HydrophobicContact CB-CB 4.4Å; L20-A44 HydrophobicContact CD1-CB 3.88Å; A22-A44 HydrophobicContact CB-CB 3.6Å
45V80Confident70.5Confident12 Ų1286.8 Ų86.87%0.07346%0.46CS..EExtended strand (participates in β ladder)trans-123.9125.1-174.5-173.40000111.3M1 A22 V23 R24 L50 L160M1-V45 HydrophobicContact CE-CG2 4.16Å; M1-V45 HydrophobicContact CG-CG2 3.9Å; M1-V45 HydrophobicContact SD-CG2 3.66Å; A22-V45 WeakPolarHBondContact CB-O 3.26Å; V23-V45 PolarHBondContact N-O 2.85Å; R24-V45 PolarHBondContact N-O 2.93Å; R24-V45 PolarHBondContact O-N 2.84Å; V45-L50 HydrophobicContact CG1-CD1 3.92Å; V45-L50 HydrophobicContact CG1-CD2 4.07Å; V45-L50 HydrophobicContact CG1-CG 3.76Å; V45-L160 HydrophobicContact CB-CD2 4.41Å; V45-L160 HydrophobicContact CG2-CD2 3.72Å
46S76.8Confident70.7Confident50 Ų5092.2 Ų92.235%0.3548%0.476SS..  trans-78.2161.1178.183.60000112.4N48 T49S46-N48 VanDerWaalsContact C-N 3.26Å; S46-N48 PolarHBondContact O-N 3.27Å; S46-T49 PolarHBondContact N-OG1 2.86Å; S46-T49 PolarHBondContact O-N 2.86Å; S46-T49 PolarHBondContact O-OG1 3.43Å; S46-T49 PolarHBondContact OG-OG1 3.34Å
47Q67.9Low71.5Confident143 Ų14388.5 Ų88.567%0.66845%0.448SS*.G310 helixtrans-63.5-32.5-179.5-150.8166.5-15.500113.1V23 T49 L50V23-Q47 HydrophobicContact CG2-CB 3.63Å; V23-Q47 HydrophobicContact CG2-CG 4.1Å; Q47-T49 PolarHBondContact O-N 3.12Å; Q47-L50 PolarHBondContact O-N 3.34Å
48N66.9Low72.2Confident163 Ų16385.6 Ų85.687%0.87243%0.431SS*.G310 helixtrans-72-15.7-174.7-64-5.7000112.6S46S46-N48 VanDerWaalsContact C-N 3.26Å; S46-N48 PolarHBondContact O-N 3.27Å
49T68Low72.9Confident94 Ų9477.4 Ų77.458%0.57740%0.401SS*.G310 helixtrans-94.1-9-177.322.60000114.7S46 Q47S46-T49 PolarHBondContact N-OG1 2.86Å; S46-T49 PolarHBondContact O-N 2.86Å; S46-T49 PolarHBondContact O-OG1 3.43Å; S46-T49 PolarHBondContact OG-OG1 3.34Å; Q47-T49 PolarHBondContact O-N 3.12Å
50L66.9Low73.2Confident43 Ų4377 Ų7723%0.22540%0.4CS..SBendtrans-109.9127.5-176.7-68.5171.5000111.4R24 V45 Q47 Y57R24-L50 HydrophobicContact CG-CD1 4.42Å; V45-L50 HydrophobicContact CG1-CD1 3.92Å; V45-L50 HydrophobicContact CG1-CD2 4.07Å; V45-L50 HydrophobicContact CG1-CG 3.76Å; Q47-L50 PolarHBondContact O-N 3.34Å; L50-Y57 HydrophobicContact CB-CE2 4.12Å; L50-Y57 HydrophobicContact CD1-CD2 4.26Å; L50-Y57 HydrophobicContact CD1-CE2 4.1Å; L50-Y57 HydrophobicContact CD2-CD1 4.1Å; L50-Y57 HydrophobicContact CD2-CD2 3.92Å; L50-Y57 HydrophobicContact CD2-CE1 4.01Å; L50-Y57 HydrophobicContact CD2-CE2 3.83Å; L50-Y57 HydrophobicContact CD2-CG 4.05Å; L50-Y57 HydrophobicContact CG-CE2 4.24Å
51P66Low73.3Confident91 Ų9174 Ų7459%0.59139%0.385SS*.  trans-55.1144.8175.1-23.130.1000112.5G53 Y57P51-G53 PolarHBondContact O-N 2.79Å; P51-Y57 WeakPolarHBondContact CD-OH 3.41Å; P51-Y57 PolarHBondContact O-OH 3.05Å
52K60.1Low73.4Confident218 Ų21873 Ų7395%0.94838%0.379SS*.THydrogen-bonded Turntrans-67129.6173.4-74-178.9179.1175.90110
53G57.1Low73.4Confident81 Ų8174 Ų7484%0.83539%0.385SS*.THydrogen-bonded Turntrans118.9-16160.500000118P51P51-G53 PolarHBondContact O-N 2.79Å
54S53.9Low73.5Confident54 Ų5474.1 Ų74.138%0.37839%0.385SS..  trans-99.8113.6178.643.40000112.1R56 Y57S54-R56 PolarHBondContact O-N 3.36Å; S54-Y57 WeakPolarHBondContact O-CE2 3.36Å; S54-Y57 WeakPolarHBondContact OG-CE1 3.28Å; S54-Y57 PolarHBondContact OG-OH 3.06Å
55R56.4Low73.6Confident228 Ų22874.1 Ų74.186%0.8638%0.381SS*.SBendtrans-69.6-15.7176.4-86.4-177.6174.2171.2-1.1113.4R24R24-R55 PolarHBondContact NH1-O 2.8Å
56R68.5Low73.8Confident179 Ų17977.2 Ų77.268%0.67540%0.402SS*.  trans-121.989.9-166.5-60.5-179.4-177.5-179.81.3110.7S54 F58S54-R56 PolarHBondContact O-N 3.36Å; R56-F58 HydrophobicContact CB-CE2 3.81Å; R56-F58 HydrophobicContact CB-CZ 4.14Å
57Y75.9Confident74.2Confident40 Ų4077.9 Ų77.916%0.15740%0.401CS..  trans-106.6140.6168.1-59.7-75.8000109L50 P51 S54 L160L50-Y57 HydrophobicContact CB-CE2 4.12Å; L50-Y57 HydrophobicContact CD1-CD2 4.26Å; L50-Y57 HydrophobicContact CD1-CE2 4.1Å; L50-Y57 HydrophobicContact CD2-CD1 4.1Å; L50-Y57 HydrophobicContact CD2-CD2 3.92Å; L50-Y57 HydrophobicContact CD2-CE1 4.01Å; L50-Y57 HydrophobicContact CD2-CE2 3.83Å; L50-Y57 HydrophobicContact CD2-CG 4.05Å; L50-Y57 HydrophobicContact CG-CE2 4.24Å; P51-Y57 WeakPolarHBondContact CD-OH 3.41Å; P51-Y57 PolarHBondContact O-OH 3.05Å; S54-Y57 WeakPolarHBondContact O-CE2 3.36Å; S54-Y57 WeakPolarHBondContact OG-CE1 3.28Å; S54-Y57 PolarHBondContact OG-OH 3.06Å; Y57-L160 HydrophobicContact CG-CD1 4.43Å; Y57-L160 PolarHBondContact O-N 3.43Å
58F80.1Confident75.1Confident45 Ų4571 Ų7120%0.19737%0.369CS..BIsolated β-bridgetrans-128.5150.3179.9-56.4-85.2000110.2R56 L63 Y154 A158 R159R56-F58 HydrophobicContact CB-CE2 3.81Å; R56-F58 HydrophobicContact CB-CZ 4.14Å; F58-L63 HydrophobicContact CB-CD1 4.4Å; F58-Y154 HydrophobicContact CD1-CD2 4.49Å; F58-Y154 HydrophobicContact CD1-CG 4.14Å; F58-Y154 HydrophobicContact CD2-CD2 4.02Å; F58-Y154 HydrophobicContact CD2-CE2 4.18Å; F58-Y154 HydrophobicContact CD2-CG 4.18Å; F58-Y154 AromaticContact CE1-CD2 3.98Å; F58-Y154 HydrophobicContact CE1-CD2 3.98Å; F58-Y154 AromaticContact CE1-CG 3.95Å; F58-Y154 HydrophobicContact CE1-CG 3.95Å; F58-Y154 AromaticContact CE2-CD2 3.43Å; F58-Y154 HydrophobicContact CE2-CD2 3.43Å; F58-Y154 VanDerWaalsContact CE2-CD2 3.43Å; F58-Y154 AromaticContact CE2-CE2 3.68Å; F58-Y154 HydrophobicContact CE2-CE2 3.68Å; F58-Y154 AromaticContact CE2-CG 3.98Å; F58-Y154 HydrophobicContact CE2-CG 3.98Å; F58-Y154 HydrophobicContact CG-CG 4.26Å; F58-Y154 AromaticContact CZ-CD2 3.41Å; F58-Y154 HydrophobicContact CZ-CD2 3.41Å; F58-Y154 VanDerWaalsContact CZ-CD2 3.41Å; F58-Y154 HydrophobicContact CZ-CE2 4.12Å; F58-Y154 AromaticContact CZ-CG 3.86Å; F58-Y154 HydrophobicContact CZ-CG 3.86Å; F58-A158 CarbonylContact C-O 3.57Å; F58-A158 WeakPolarHBondContact CA-O 3.42Å; F58-A158 HydrophobicContact CB-CB 4.42Å; F58-A158 HydrophobicContact CD1-CB 4.29Å; F58-R159 HydrophobicContact CD1-CB 4.07Å; F58-R159 HydrophobicContact CE1-CB 3.99Å; F58-R159 HydrophobicContact CE1-CG 4.29Å
59S84.5Confident75.5Confident4 Ų469.3 Ų69.33%0.02836%0.356CS..  trans-80.2125.5171.2172.40000109.9A61 M62 L63 A158S59-A61 VanDerWaalsContact C-N 3.35Å; S59-A61 PolarHBondContact OG-N 2.89Å; S59-M62 PolarHBondContact O-N 2.74Å; S59-M62 PolarHBondContact OG-N 3.18Å; S59-L63 WeakPolarHBondContact O-CG 3.38Å; S59-L63 PolarHBondContact O-N 3.32Å; S59-A158 PolarHBondContact N-O 3.07Å
60L84.9Confident75.7Confident43 Ų4368.4 Ų68.423%0.22535%0.352CS..Hα-helixtrans-63-42.3176.2-174.864.5000111.1M62 L63 I64 L78 L145 L148L60-M62 VanDerWaalsContact C-N 3.27Å; L60-M62 PolarHBondContact O-N 3.16Å; L60-L63 WeakPolarHBondContact O-CB 3.44Å; L60-L63 PolarHBondContact O-N 2.76Å; L60-I64 HydrophobicContact CD1-CD1 4.19Å; L60-I64 HydrophobicContact CD2-CD1 4.36Å; L60-I64 HydrophobicContact CG-CD1 3.8Å; L60-I64 WeakPolarHBondContact O-CG1 3.08Å; L60-I64 PolarHBondContact O-N 2.8Å; L60-L78 HydrophobicContact CD2-CD2 4.11Å; L60-L145 HydrophobicContact CD1-CD1 3.71Å; L60-L145 HydrophobicContact CD2-CD1 4.24Å; L60-L148 HydrophobicContact CD1-CB 4.42Å; L60-L148 HydrophobicContact CD1-CD1 3.61Å
61A84.9Confident76.5Confident0 Ų066.5 Ų66.50%034%0.342CS..Hα-helixtrans-57.8-38.6176.700000112.8S59 L63 I64 L65 V90 L97 D100S59-A61 VanDerWaalsContact C-N 3.35Å; S59-A61 PolarHBondContact OG-N 2.89Å; A61-L63 VanDerWaalsContact C-N 3.3Å; A61-L63 PolarHBondContact O-N 2.73Å; A61-I64 PolarHBondContact O-N 2.6Å; A61-L65 WeakPolarHBondContact O-CB 3.29Å; A61-L65 PolarHBondContact O-N 2.86Å; A61-V90 HydrophobicContact CB-CG1 4.1Å; A61-V90 HydrophobicContact CB-CG2 3.98Å; A61-L97 HydrophobicContact CB-CD1 4.12Å; A61-L97 HydrophobicContact CB-CD2 4.36Å; A61-D100 HydrophobicContact CB-CB 3.92Å; A61-D100 VanDerWaalsContact CB-CG 3.48Å
62M86.3Confident77.6Confident16 Ų1662.1 Ų62.18%0.07931%0.314CS..Hα-helixtrans-76.2-15.8177.6-61.1-64.980.900114.1I26 C28 S59 L60 L65 L97 A158I26-M62 HydrophobicContact CD1-CB 4.42Å; I26-M62 HydrophobicContact CD1-CG 3.69Å; C28-M62 HydrophobicContact CB-CE 4.39Å; C28-M62 HydrophobicContact CB-SD 3.76Å; S59-M62 PolarHBondContact O-N 2.74Å; S59-M62 PolarHBondContact OG-N 3.18Å; L60-M62 VanDerWaalsContact C-N 3.27Å; L60-M62 PolarHBondContact O-N 3.16Å; M62-L65 HydrophobicContact CE-CB 4.02Å; M62-L65 HydrophobicContact CE-CD2 3.61Å; M62-L65 HydrophobicContact CE-CG 4.38Å; M62-L65 HydrophobicContact SD-CD2 4.46Å; M62-L97 HydrophobicContact CE-CB 4.4Å; M62-L97 HydrophobicContact CE-CD1 4.44Å; M62-L97 HydrophobicContact CE-CD2 3.9Å; M62-L97 HydrophobicContact CE-CG 4.49Å; M62-A158 HydrophobicContact CB-CB 3.89Å
63L86.5Confident79.1Confident23 Ų2351.9 Ų51.912%0.1227%0.269CS..Hα-helixtrans-83.5-29.7169.2-64.1175.3000111.8F58 S59 L60 A61 L148 Y154 P155 A158F58-L63 HydrophobicContact CB-CD1 4.4Å; S59-L63 WeakPolarHBondContact O-CG 3.38Å; S59-L63 PolarHBondContact O-N 3.32Å; L60-L63 WeakPolarHBondContact O-CB 3.44Å; L60-L63 PolarHBondContact O-N 2.76Å; A61-L63 VanDerWaalsContact C-N 3.3Å; A61-L63 PolarHBondContact O-N 2.73Å; L63-L148 HydrophobicContact CB-CD2 4.38Å; L63-Y154 HydrophobicContact CD1-CD1 4.06Å; L63-Y154 HydrophobicContact CD1-CE1 4.21Å; L63-Y154 HydrophobicContact CD2-CD1 3.79Å; L63-P155 HydrophobicContact CD2-CG 3.97Å; L63-A158 HydrophobicContact CD2-CB 3.68Å; L63-A158 HydrophobicContact CG-CB 4.1Å
64I87.5Confident80.6Confident1 Ų148 Ų481%0.00523%0.229CC..Hα-helixtrans-84.9-34.8-179.2-67.7171.1000111.7L60 A61 P66 L67 L68 A74 V76 V90 L143 L148L60-I64 HydrophobicContact CD1-CD1 4.19Å; L60-I64 HydrophobicContact CD2-CD1 4.36Å; L60-I64 HydrophobicContact CG-CD1 3.8Å; L60-I64 WeakPolarHBondContact O-CG1 3.08Å; L60-I64 PolarHBondContact O-N 2.8Å; A61-I64 PolarHBondContact O-N 2.6Å; I64-P66 VanDerWaalsContact C-CD 3.47Å; I64-L67 WeakPolarHBondContact O-CA 3.05Å; I64-L67 VanDerWaalsContact O-CB 3.25Å; I64-L67 WeakPolarHBondContact O-CB 3.45Å; I64-L67 PolarHBondContact O-N 2.73Å; I64-L68 HydrophobicContact CG2-CD1 3.85Å; I64-L68 HydrophobicContact CG2-CD2 4.46Å; I64-L68 HydrophobicContact CG2-CG 3.94Å; I64-L68 PolarHBondContact O-N 3.34Å; I64-A74 HydrophobicContact CG2-CB 3.69Å; I64-V76 HydrophobicContact CD1-CG2 3.71Å; I64-V90 HydrophobicContact CB-CB 4.4Å; I64-V90 HydrophobicContact CB-CG1 4.14Å; I64-V90 HydrophobicContact CD1-CB 4.29Å; I64-V90 HydrophobicContact CD1-CG2 3.9Å; I64-V90 HydrophobicContact CG2-CB 3.97Å; I64-V90 HydrophobicContact CG2-CG1 3.86Å; I64-L143 HydrophobicContact CG1-CD2 4.23Å; I64-L148 HydrophobicContact CD1-CD1 3.88Å; I64-L148 HydrophobicContact CG1-CD1 3.55Å; I64-L148 HydrophobicContact CG1-CD2 4.22Å
65L85.9Confident82.4Confident28 Ų2845.5 Ų45.515%0.14721%0.212CC..G310 helixtrans-49.7-46.2-174.2-174.267.2000113.7A61 M62 L67 L68 A92 L97A61-L65 WeakPolarHBondContact O-CB 3.29Å; A61-L65 PolarHBondContact O-N 2.86Å; M62-L65 HydrophobicContact CE-CB 4.02Å; M62-L65 HydrophobicContact CE-CD2 3.61Å; M62-L65 HydrophobicContact CE-CG 4.38Å; M62-L65 HydrophobicContact SD-CD2 4.46Å; L65-L67 PolarHBondContact O-N 3.14Å; L65-L68 PolarHBondContact O-N 3.4Å; L65-L68 VanDerWaalsContact O-N 3.1Å; L65-A92 HydrophobicContact CD1-CB 3.45Å; L65-A92 VanDerWaalsContact CD1-CB 3.45Å; L65-L97 HydrophobicContact CD1-CB 4.1Å; L65-L97 HydrophobicContact CD1-CD1 4.4Å; L65-L97 HydrophobicContact CD2-CB 4.47Å
66P84.7Confident83.9Confident77 Ų7734.7 Ų34.750%0.517%0.171SC..G310 helixtrans-65.1-19.6177.1-20.533.9000114.5I64 L68I64-P66 VanDerWaalsContact C-CD 3.47Å; P66-L68 VanDerWaalsContact C-N 3.35Å
67L86.3Confident84.8Confident64 Ų6431.2 Ų31.234%0.33516%0.162SC..G310 helixtrans-82.9-15.6177.8-55.3177.7000112.6I64 L65 Y129 L143 L148I64-L67 WeakPolarHBondContact O-CA 3.05Å; I64-L67 VanDerWaalsContact O-CB 3.25Å; I64-L67 WeakPolarHBondContact O-CB 3.45Å; I64-L67 PolarHBondContact O-N 2.73Å; L65-L67 PolarHBondContact O-N 3.14Å; L67-Y129 HydrophobicContact CB-CE2 4.42Å; L67-L143 HydrophobicContact CD1-CD1 4.16Å; L67-L143 HydrophobicContact CD1-CD2 3.99Å; L67-L148 HydrophobicContact CD1-CD2 3.66Å
68L86.2Confident85Confident0 Ų031.4 Ų31.40%017%0.166CC..SBendtrans-95.8-1.5-178.8-61.8-179.2000112.8I64 L65 P66 P70 G71 A74 V90 A92 Y129I64-L68 HydrophobicContact CG2-CD1 3.85Å; I64-L68 HydrophobicContact CG2-CD2 4.46Å; I64-L68 HydrophobicContact CG2-CG 3.94Å; I64-L68 PolarHBondContact O-N 3.34Å; L65-L68 PolarHBondContact O-N 3.4Å; L65-L68 VanDerWaalsContact O-N 3.1Å; P66-L68 VanDerWaalsContact C-N 3.35Å; L68-P70 CarbonylContact O-C 3.46Å; L68-G71 CarbonylContact O-C 3.53Å; L68-G71 WeakPolarHBondContact O-CA 3.5Å; L68-G71 PolarHBondContact O-N 2.75Å; L68-A74 HydrophobicContact CD2-CB 4.17Å; L68-V90 HydrophobicContact CD1-CG1 4.13Å; L68-V90 WeakPolarHBondContact CD1-O 3.47Å; L68-A92 HydrophobicContact CB-CB 4.02Å; L68-A92 HydrophobicContact CD1-CB 4.06Å; L68-Y129 HydrophobicContact CD2-CD2 4.11Å; L68-Y129 HydrophobicContact CD2-CE2 4.39Å
69E74.9Confident84.5Confident126 Ų12634 Ų3459%0.58919%0.19SC*.  trans-67.4133.2177.4-73.8-174.8176.200111.7
70P73Confident83.3Confident76 Ų7640.1 Ų40.149%0.49422%0.218SC..SBendcis-83-20.38.631.7-34.1000114.9L68 D94 G95L68-P70 CarbonylContact O-C 3.46Å; P70-D94 CarbonylContact O-C 3.55Å; P70-D94 WeakPolarHBondContact O-CA 3.02Å; P70-D94 PolarHBondContact O-N 3.18Å; P70-G95 PolarHBondContact O-N 2.64Å; P70-G95 VanDerWaalsContact O-N 3.1Å
71G83.7Confident81.8Confident2 Ų240.4 Ų40.42%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-171.2160.5170.500000112L68 A92 W126 T127L68-G71 CarbonylContact O-C 3.53Å; L68-G71 WeakPolarHBondContact O-CA 3.5Å; L68-G71 PolarHBondContact O-N 2.75Å; G71-A92 CarbonylContact C-O 3.53Å; G71-A92 VanDerWaalsContact CA-O 3.3Å; G71-A92 WeakPolarHBondContact CA-O 3.39Å; G71-W126 VanDerWaalsContact C-CE3 3.48Å; G71-T127 WeakPolarHBondContact O-CB 3.24Å; G71-T127 PolarHBondContact O-N 3.29Å
72G88.7Confident80.6Confident0 Ų048 Ų480%027%0.267CS..EExtended strand (participates in β ladder)trans154.5-157.2176.300000113.4S91 A92 T127G72-S91 CarbonylContact O-C 3.53Å; G72-S91 WeakPolarHBondContact O-CA 3.44Å; G72-A92 PolarHBondContact N-O 2.96Å; G72-A92 PolarHBondContact O-N 2.85Å; G72-T127 CarbonylContact C-O 3.59Å; G72-T127 VanDerWaalsContact CA-O 3.26Å; G72-T127 WeakPolarHBondContact CA-O 3.41Å
73Y90.7Very high79.6Confident2 Ų254.9 Ų54.91%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-146157.5177.267.7-91.3000112.8I75 F89 V90 R112 F115 L116 T127 C128 Y129 E130Y73-I75 HydrophobicContact CD2-CG1 4.29Å; Y73-I75 HydrophobicContact CE2-CD1 4.25Å; Y73-I75 HydrophobicContact CE2-CG1 4.37Å; Y73-F89 HydrophobicContact CD2-CD2 4.23Å; Y73-F89 AromaticContact CD2-CE2 3.55Å; Y73-F89 HydrophobicContact CD2-CE2 3.55Å; Y73-F89 HydrophobicContact CD2-CZ 4.47Å; Y73-F89 HydrophobicContact CE2-CE2 4.39Å; Y73-F89 AromaticContact CG-CE2 3.71Å; Y73-F89 HydrophobicContact CG-CE2 3.71Å; Y73-F89 HydrophobicContact CG-CZ 4.21Å; Y73-V90 CarbonylContact C-O 3.6Å; Y73-V90 WeakPolarHBondContact CA-O 3.36Å; Y73-R112 HydrophobicContact CE1-CG 4.31Å; Y73-R112 HydrophobicContact CE2-CG 3.91Å; Y73-F115 AromaticContact CD1-CD1 3.85Å; Y73-F115 HydrophobicContact CD1-CD1 3.85Å; Y73-F115 AromaticContact CD1-CE1 3.81Å; Y73-F115 HydrophobicContact CD1-CE1 3.81Å; Y73-L116 HydrophobicContact CE1-CD2 4.07Å; Y73-L116 HydrophobicContact CE1-CG 4.43Å; Y73-T127 PolarHBondContact N-O 2.86Å; Y73-C128 HydrophobicContact CE1-CB 4.04Å; Y73-C128 WeakPolarHBondContact CE1-SG 3.48Å; Y73-C128 HydrophobicContact CE2-CB 4.32Å; Y73-C128 CarbonylContact O-C 3.42Å; Y73-C128 VanDerWaalsContact O-CA 3.26Å; Y73-C128 WeakPolarHBondContact O-CA 3.48Å; Y73-Y129 PolarHBondContact O-N 3.46Å; Y73-E130 HydrophobicContact CE2-CG 3.71Å; Y73-E130 WeakPolarHBondContact CE2-OE1 3.39Å; Y73-E130 VanDerWaalsContact CZ-OE1 3.22Å; Y73-E130 PolarHBondContact OH-OE1 3.41Å
74A90.3Very high79Confident0 Ų057 Ų570%032%0.318CS..EExtended strand (participates in β ladder)trans-130.9129.917400000110.6I64 L68 F89 V90 Y129 L143I64-A74 HydrophobicContact CG2-CB 3.69Å; L68-A74 HydrophobicContact CD2-CB 4.17Å; A74-F89 WeakPolarHBondContact O-CA 3.41Å; A74-V90 PolarHBondContact N-O 2.8Å; A74-V90 PolarHBondContact O-N 3.21Å; A74-Y129 CarbonylContact C-O 3.57Å; A74-Y129 WeakPolarHBondContact CA-O 3.38Å; A74-Y129 HydrophobicContact CB-CD2 4.24Å; A74-Y129 HydrophobicContact CB-CG 4.45Å; A74-L143 HydrophobicContact CB-CD2 4.47Å
75I90.9Very high78.6Confident1 Ų160.8 Ų60.81%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-102.3120.1167.4-60172.8000107.4Y73 Y87 G88 F89 I108 Y129 E130 P131 F134Y73-I75 HydrophobicContact CD2-CG1 4.29Å; Y73-I75 HydrophobicContact CE2-CD1 4.25Å; Y73-I75 HydrophobicContact CE2-CG1 4.37Å; I75-Y87 HydrophobicContact CG2-CD1 3.98Å; I75-Y87 HydrophobicContact CG2-CG 4.43Å; I75-G88 CarbonylContact C-O 3.56Å; I75-G88 VanDerWaalsContact CA-O 3.29Å; I75-G88 WeakPolarHBondContact CA-O 3.45Å; I75-F89 HydrophobicContact CG1-CD2 3.82Å; I75-F89 HydrophobicContact CG1-CE2 4.48Å; I75-I108 HydrophobicContact CD1-CG2 3.81Å; I75-I108 HydrophobicContact CG1-CG2 3.85Å; I75-I108 HydrophobicContact CG2-CG2 4.07Å; I75-Y129 PolarHBondContact N-O 2.93Å; I75-E130 HydrophobicContact CD1-CG 3.96Å; I75-E130 HydrophobicContact CG1-CG 4.48Å; I75-P131 HydrophobicContact CB-CG 4.45Å; I75-P131 HydrophobicContact CG2-CG 3.88Å; I75-P131 WeakPolarHBondContact O-CD 3.42Å; I75-F134 HydrophobicContact CD1-CB 4.25Å; I75-F134 HydrophobicContact CD1-CD1 3.55Å; I75-F134 HydrophobicContact CD1-CD2 4.35Å; I75-F134 HydrophobicContact CD1-CE1 3.92Å; I75-F134 HydrophobicContact CD1-CG 3.79Å; I75-F134 HydrophobicContact CD1-CZ 4.45Å; I75-F134 HydrophobicContact CG2-CD2 4.12Å; I75-F134 HydrophobicContact CG2-CE2 3.87Å; I75-F134 HydrophobicContact CG2-CZ 4.12Å
76V88.5Confident78.6Confident1 Ų161.9 Ų61.91%0.00634%0.342CS..EExtended strand (participates in β ladder)trans-116.4128179.8-177.30000109.1I64 L78 Y87 G88 L143 L145I64-V76 HydrophobicContact CD1-CG2 3.71Å; V76-L78 PolarHBondContact O-N 2.92Å; V76-Y87 WeakPolarHBondContact O-CA 3.41Å; V76-G88 PolarHBondContact N-O 3.25Å; V76-G88 PolarHBondContact O-N 2.96Å; V76-L143 HydrophobicContact CG2-CD2 4.32Å; V76-L145 HydrophobicContact CG1-CB 4.41Å; V76-L145 HydrophobicContact CG1-CD1 4.17Å
77E86.8Confident78.8Confident106 Ų10658.4 Ų58.450%0.49532%0.319SS..EExtended strand (participates in β ladder)trans-65.7123.1172.3-83.4175.518000110.3Y87 P131E77-Y87 HydrophobicContact CB-CE1 4.48Å; E77-Y87 HydrophobicContact CG-CD1 3.71Å; E77-Y87 HydrophobicContact CG-CE1 3.3Å; E77-P131 HydrophobicContact CG-CB 4.22Å; E77-P131 HydrophobicContact CG-CG 3.92Å; E77-P131 WeakPolarHBondContact OE1-CB 3.37Å
78L80.7Confident78.9Confident44 Ų4455.6 Ų55.623%0.2331%0.305CS..EExtended strand (participates in β ladder)trans-99.8147.6173.8-57.8173.9000108.9L60 V76 Q80 L86 V102L60-L78 HydrophobicContact CD2-CD2 4.11Å; V76-L78 PolarHBondContact O-N 2.92Å; L78-Q80 PolarHBondContact O-N 2.98Å; L78-L86 HydrophobicContact CB-CB 4.27Å; L78-L86 WeakPolarHBondContact CB-O 3.15Å; L78-L86 PolarHBondContact N-O 2.94Å; L78-V102 HydrophobicContact CD1-CB 4.37Å; L78-V102 HydrophobicContact CD1-CG1 3.62Å; L78-V102 HydrophobicContact CD1-CG2 3.86Å
79S67.9Low79.1Confident100 Ų10055.6 Ų55.670%0.69931%0.305SS*.EExtended strand (participates in β ladder)trans-54.7137.3-179.556.40000111.6A81S79-A81 PolarHBondContact O-N 3.46Å; S79-A81 VanDerWaalsContact O-N 3.12Å
80Q60.1Low79.7Confident132 Ų13249.7 Ų49.762%0.61728%0.277SS*.EExtended strand (participates in β ladder)trans-54.7114.7174.9-70.7178.5-15.900110.5L78 E85L78-Q80 PolarHBondContact O-N 2.98Å; Q80-E85 HydrophobicContact CG-CG 4.5Å
81A53.1Low80.5Confident50 Ų5046 Ų4641%0.41325%0.254SS..EExtended strand (participates in β ladder)trans-109.5123.4166.400000107.4S79 T84S79-A81 PolarHBondContact O-N 3.46Å; S79-A81 VanDerWaalsContact O-N 3.12Å; A81-T84 PolarHBondContact O-N 3.43Å
82N59.9Low80.6Confident158 Ų15846 Ų4685%0.84525%0.253SS*.THydrogen-bonded Turntrans55.250.5178.2-58.9-16.5000114.7T84N82-T84 PolarHBondContact O-N 2.99Å; N82-T84 PolarHBondContact O-OG1 3.21Å; N82-T84 VanDerWaalsContact O-OG1 3.04Å
83D65.8Low80.1Confident161 Ų16147.4 Ų47.486%0.86126%0.262SS*.THydrogen-bonded Turntrans57.210.7178.8-77.2-18000115.9
84T72.8Confident79.4Confident68 Ų6853.6 Ų53.642%0.41730%0.295SS..EExtended strand (participates in β ladder)trans-105.8123.7178.2-30.10000109A81 N82 L86 T104A81-T84 PolarHBondContact O-N 3.43Å; N82-T84 PolarHBondContact O-N 2.99Å; N82-T84 PolarHBondContact O-OG1 3.21Å; N82-T84 VanDerWaalsContact O-OG1 3.04Å; T84-L86 PolarHBondContact O-N 3.01Å; T84-T104 HydrophobicContact CG2-CG2 4.48Å
85E79.7Confident78.7Confident81 Ų8154.6 Ų54.638%0.37931%0.305SS..EExtended strand (participates in β ladder)trans-73.3116.2173.7-68.2-176.1164.500109.5Q80 Y87 R105Q80-E85 HydrophobicContact CG-CG 4.5Å; E85-Y87 HydrophobicContact CB-CE2 3.87Å; E85-Y87 PolarHBondContact OE2-OH 3.14Å; E85-R105 IonicContact OE2-CZ 3.49Å; E85-R105 IonicContact OE2-NE 3.86Å; E85-R105 IonicContact OE2-NH2 2.64Å; E85-R105 PolarHBondContact OE2-NH2 2.75Å
86L86.5Confident78Confident51 Ų5155.8 Ų55.827%0.26731%0.311SS..EExtended strand (participates in β ladder)trans-107.3142.2177.7-67.5174.1000109.7L78 T84 V102L78-L86 HydrophobicContact CB-CB 4.27Å; L78-L86 WeakPolarHBondContact CB-O 3.15Å; L78-L86 PolarHBondContact N-O 2.94Å; T84-L86 PolarHBondContact O-N 3.01Å; L86-V102 HydrophobicContact CB-CG1 4.41Å
87Y88.7Confident77.5Confident4 Ų456.2 Ų56.22%0.01631%0.313CS..EExtended strand (participates in β ladder)trans-127.4139.8179-64.4-91.8000108.7I75 V76 E77 E85 V102 G103 R105 P131 F134I75-Y87 HydrophobicContact CG2-CD1 3.98Å; I75-Y87 HydrophobicContact CG2-CG 4.43Å; V76-Y87 WeakPolarHBondContact O-CA 3.41Å; E77-Y87 HydrophobicContact CB-CE1 4.48Å; E77-Y87 HydrophobicContact CG-CD1 3.71Å; E77-Y87 HydrophobicContact CG-CE1 3.3Å; E85-Y87 HydrophobicContact CB-CE2 3.87Å; E85-Y87 PolarHBondContact OE2-OH 3.14Å; Y87-V102 WeakPolarHBondContact O-CA 3.09Å; Y87-G103 PolarHBondContact N-O 3.46Å; Y87-G103 PolarHBondContact O-N 2.86Å; Y87-G103 VanDerWaalsContact O-N 3.08Å; Y87-R105 HydrophobicContact CD2-CB 4.24Å; Y87-R105 HydrophobicContact CE2-CB 3.85Å; Y87-R105 HydrophobicContact CE2-CG 4.24Å; Y87-R105 PolarHBondContact OH-NE 2.88Å; Y87-R105 PolarHBondContact OH-NH2 2.8Å; Y87-R105 VanDerWaalsContact OH-NH2 3.07Å; Y87-P131 HydrophobicContact CD1-CG 4.28Å; Y87-P131 HydrophobicContact CE1-CG 4.17Å; Y87-F134 AromaticContact CD1-CE2 3.57Å; Y87-F134 HydrophobicContact CD1-CE2 3.57Å; Y87-F134 HydrophobicContact CD1-CZ 4.17Å; Y87-F134 HydrophobicContact CD2-CE2 4.12Å; Y87-F134 HydrophobicContact CD2-CZ 4.13Å; Y87-F134 HydrophobicContact CE1-CD2 4.39Å; Y87-F134 AromaticContact CE1-CE2 3.57Å; Y87-F134 HydrophobicContact CE1-CE2 3.57Å; Y87-F134 HydrophobicContact CE1-CZ 4.47Å; Y87-F134 HydrophobicContact CE2-CE2 4.14Å; Y87-F134 HydrophobicContact CE2-CZ 4.45Å; Y87-F134 AromaticContact CG-CE2 3.85Å; Y87-F134 HydrophobicContact CG-CE2 3.85Å; Y87-F134 AromaticContact CG-CZ 3.99Å; Y87-F134 HydrophobicContact CG-CZ 3.99Å; Y87-F134 AromaticContact CZ-CE2 3.87Å
88G87.6Confident77.2Confident4 Ų454.4 Ų54.44%0.04131%0.31CS..EExtended strand (participates in β ladder)trans-94.8130.9169.900000109.8I75 V76 L101I75-G88 CarbonylContact C-O 3.56Å; I75-G88 VanDerWaalsContact CA-O 3.29Å; I75-G88 WeakPolarHBondContact CA-O 3.45Å; V76-G88 PolarHBondContact N-O 3.25Å; V76-G88 PolarHBondContact O-N 2.96Å; G88-L101 CarbonylContact C-O 3.48Å; G88-L101 WeakPolarHBondContact CA-O 3.38Å
89F90.4Very high77.2Confident0 Ų053.9 Ų53.90%031%0.31CS..EExtended strand (participates in β ladder)trans-116.3119.5174.7177.1-100.5000109.8Y73 A74 I75 D100 L101 I108 A111 R112 F115Y73-F89 HydrophobicContact CD2-CD2 4.23Å; Y73-F89 AromaticContact CD2-CE2 3.55Å; Y73-F89 HydrophobicContact CD2-CE2 3.55Å; Y73-F89 HydrophobicContact CD2-CZ 4.47Å; Y73-F89 HydrophobicContact CE2-CE2 4.39Å; Y73-F89 AromaticContact CG-CE2 3.71Å; Y73-F89 HydrophobicContact CG-CE2 3.71Å; Y73-F89 HydrophobicContact CG-CZ 4.21Å; A74-F89 WeakPolarHBondContact O-CA 3.41Å; I75-F89 HydrophobicContact CG1-CD2 3.82Å; I75-F89 HydrophobicContact CG1-CE2 4.48Å; F89-D100 WeakPolarHBondContact O-CA 3.07Å; F89-L101 HydrophobicContact CB-CD1 3.67Å; F89-L101 HydrophobicContact CB-CG 3.99Å; F89-L101 HydrophobicContact CD1-CD1 4.07Å; F89-L101 HydrophobicContact CD1-CD2 3.9Å; F89-L101 HydrophobicContact CD1-CG 3.87Å; F89-L101 HydrophobicContact CG-CD1 4.25Å; F89-L101 HydrophobicContact CG-CG 4.4Å; F89-L101 PolarHBondContact N-O 3.25Å; F89-L101 PolarHBondContact O-N 2.71Å; F89-I108 HydrophobicContact CB-CD1 3.84Å; F89-I108 HydrophobicContact CB-CG2 3.99Å; F89-I108 HydrophobicContact CD2-CG2 4.24Å; F89-I108 HydrophobicContact CG-CG2 4.44Å; F89-A111 HydrophobicContact CD1-CB 4.23Å; F89-A111 HydrophobicContact CE1-CB 4.38Å; F89-R112 HydrophobicContact CE2-CB 3.93Å; F89-R112 HydrophobicContact CE2-CG 4.38Å; F89-R112 HydrophobicContact CZ-CB 4.4Å; F89-F115 HydrophobicContact CE1-CB 4.39Å; F89-F115 HydrophobicContact CZ-CB 3.92Å; F89-F115 HydrophobicContact CZ-CG 4.23Å
90V89.1Confident78.1Confident2 Ų251.3 Ų51.31%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-121125.2176.7179.60000107.9A61 I64 L68 Y73 A74 L97 S99A61-V90 HydrophobicContact CB-CG1 4.1Å; A61-V90 HydrophobicContact CB-CG2 3.98Å; I64-V90 HydrophobicContact CB-CB 4.4Å; I64-V90 HydrophobicContact CB-CG1 4.14Å; I64-V90 HydrophobicContact CD1-CB 4.29Å; I64-V90 HydrophobicContact CD1-CG2 3.9Å; I64-V90 HydrophobicContact CG2-CB 3.97Å; I64-V90 HydrophobicContact CG2-CG1 3.86Å; L68-V90 HydrophobicContact CD1-CG1 4.13Å; L68-V90 WeakPolarHBondContact CD1-O 3.47Å; Y73-V90 CarbonylContact C-O 3.6Å; Y73-V90 WeakPolarHBondContact CA-O 3.36Å; A74-V90 PolarHBondContact N-O 2.8Å; A74-V90 PolarHBondContact O-N 3.21Å; V90-L97 HydrophobicContact CG1-CD1 3.64Å; V90-S99 CarbonylContact C-O 3.45Å; V90-S99 VanDerWaalsContact CA-O 3.25Å; V90-S99 WeakPolarHBondContact CA-O 3.24Å
91S88.5Confident79.3Confident0 Ų047.6 Ų47.60%027%0.272CS..EExtended strand (participates in β ladder)trans-128.6150.1177.267.30000111.5G72 V98 S99 F115G72-S91 CarbonylContact O-C 3.53Å; G72-S91 WeakPolarHBondContact O-CA 3.44Å; S91-V98 PolarHBondContact O-N 2.75Å; S91-S99 PolarHBondContact N-O 2.75Å; S91-S99 PolarHBondContact O-N 2.8Å; S91-S99 VanDerWaalsContact OG-CB 3.28Å; S91-S99 WeakPolarHBondContact OG-CB 3.2Å; S91-S99 PolarHBondContact OG-N 3.4Å; S91-S99 PolarHBondContact OG-OG 3.41Å; S91-F115 WeakPolarHBondContact OG-CD2 3.39Å
92A85.3Confident80.9Confident0 Ų049.4 Ų49.40%028%0.277CS..EExtended strand (participates in β ladder)trans-145146.2-178.700000112.4L65 L68 G71 G72 I96L65-A92 HydrophobicContact CD1-CB 3.45Å; L65-A92 VanDerWaalsContact CD1-CB 3.45Å; L68-A92 HydrophobicContact CB-CB 4.02Å; L68-A92 HydrophobicContact CD1-CB 4.06Å; G71-A92 CarbonylContact C-O 3.53Å; G71-A92 VanDerWaalsContact CA-O 3.3Å; G71-A92 WeakPolarHBondContact CA-O 3.39Å; G72-A92 PolarHBondContact N-O 2.96Å; G72-A92 PolarHBondContact O-N 2.85Å; A92-I96 CarbonylContact C-O 3.53Å; A92-I96 WeakPolarHBondContact CA-O 3.21Å; A92-I96 VanDerWaalsContact CB-O 3.3Å; A92-I96 WeakPolarHBondContact CB-O 3.19Å
93V80Confident82.1Confident30 Ų3042 Ų4218%0.18224%0.239CC..EExtended strand (participates in β ladder)trans-131.2128.9175179.80000107.4G95 I96 V98 F115 N119 W126V93-G95 VanDerWaalsContact C-N 3.25Å; V93-G95 PolarHBondContact O-N 3.07Å; V93-I96 PolarHBondContact N-O 3.23Å; V93-I96 VanDerWaalsContact O-CB 3.31Å; V93-I96 WeakPolarHBondContact O-CB 3.26Å; V93-I96 PolarHBondContact O-N 3.39Å; V93-V98 HydrophobicContact CB-CG2 4.02Å; V93-V98 HydrophobicContact CG2-CG2 3.77Å; V93-F115 HydrophobicContact CG2-CE2 3.81Å; V93-F115 HydrophobicContact CG2-CZ 4.03Å; V93-N119 HydrophobicContact CG2-CB 4.29Å; V93-W126 HydrophobicContact CG1-CH2 4.23Å; V93-W126 HydrophobicContact CG2-CH2 3.71Å; V93-W126 HydrophobicContact CG2-CZ3 3.99Å
94D75.7Confident83.1Confident133 Ų13336.1 Ų36.171%0.71121%0.209SC*.THydrogen-bonded Turntrans51.241.7-176.6-60.4-36.2000113.9P70 I96P70-D94 CarbonylContact O-C 3.55Å; P70-D94 WeakPolarHBondContact O-CA 3.02Å; P70-D94 PolarHBondContact O-N 3.18Å; D94-I96 PolarHBondContact O-N 3.24Å
95G75.5Confident83.8Confident20 Ų2036.8 Ų36.821%0.20620%0.204CC..THydrogen-bonded Turntrans74.66.7-178.400000115.1P70 V93P70-G95 PolarHBondContact O-N 2.64Å; P70-G95 VanDerWaalsContact O-N 3.1Å; V93-G95 VanDerWaalsContact C-N 3.25Å; V93-G95 PolarHBondContact O-N 3.07Å
96I75.3Confident84.2Confident26 Ų2639.1 Ų39.113%0.13321%0.214CC..EExtended strand (participates in β ladder)trans-107.1130.9-175.6-65.9172.9000110.8L31 A92 V93 D94 V98L31-I96 HydrophobicContact CB-CD1 3.72Å; L31-I96 HydrophobicContact CD1-CD1 3.11Å; L31-I96 HydrophobicContact CG-CD1 3.99Å; A92-I96 CarbonylContact C-O 3.53Å; A92-I96 WeakPolarHBondContact CA-O 3.21Å; A92-I96 VanDerWaalsContact CB-O 3.3Å; A92-I96 WeakPolarHBondContact CB-O 3.19Å; V93-I96 PolarHBondContact N-O 3.23Å; V93-I96 VanDerWaalsContact O-CB 3.31Å; V93-I96 WeakPolarHBondContact O-CB 3.26Å; V93-I96 PolarHBondContact O-N 3.39Å; D94-I96 PolarHBondContact O-N 3.24Å; I96-V98 PolarHBondContact O-N 3.19Å
97L79.2Confident84.3Confident11 Ų1141.7 Ų41.76%0.05823%0.225CC..EExtended strand (participates in β ladder)trans-63.4120.1176.5-174.572.8000110.8W3 A61 M62 L65 V90 D100W3-L97 HydrophobicContact CZ2-CD2 4.07Å; A61-L97 HydrophobicContact CB-CD1 4.12Å; A61-L97 HydrophobicContact CB-CD2 4.36Å; M62-L97 HydrophobicContact CE-CB 4.4Å; M62-L97 HydrophobicContact CE-CD1 4.44Å; M62-L97 HydrophobicContact CE-CD2 3.9Å; M62-L97 HydrophobicContact CE-CG 4.49Å; L65-L97 HydrophobicContact CD1-CB 4.1Å; L65-L97 HydrophobicContact CD1-CD1 4.4Å; L65-L97 HydrophobicContact CD2-CB 4.47Å; V90-L97 HydrophobicContact CG1-CD1 3.64Å; L97-D100 HydrophobicContact CD1-CB 4.44Å; L97-D100 HydrophobicContact CD2-CB 4.2Å
98V79.2Confident84.3Confident68 Ų6841.5 Ų41.541%0.41222%0.224SC..EExtended strand (participates in β ladder)trans-99.6-44.5178174.40000111.5S91 V93 I96 F115S91-V98 PolarHBondContact O-N 2.75Å; V93-V98 HydrophobicContact CB-CG2 4.02Å; V93-V98 HydrophobicContact CG2-CG2 3.77Å; I96-V98 PolarHBondContact O-N 3.19Å; V98-F115 HydrophobicContact CB-CE2 4.46Å; V98-F115 HydrophobicContact CG1-CD2 4.28Å; V98-F115 HydrophobicContact CG1-CE2 4.41Å
99S81.6Confident84.4Confident33 Ų3347.1 Ų47.123%0.23124%0.244CC..EExtended strand (participates in β ladder)trans-139.7140.9179.1-57.90000111.1V90 S91V90-S99 CarbonylContact C-O 3.45Å; V90-S99 VanDerWaalsContact CA-O 3.25Å; V90-S99 WeakPolarHBondContact CA-O 3.24Å; S91-S99 PolarHBondContact N-O 2.75Å; S91-S99 PolarHBondContact O-N 2.8Å; S91-S99 VanDerWaalsContact OG-CB 3.28Å; S91-S99 WeakPolarHBondContact OG-CB 3.2Å; S91-S99 PolarHBondContact OG-N 3.4Å; S91-S99 PolarHBondContact OG-OG 3.41Å
100D85.5Confident84.3Confident46 Ų4653 Ų5325%0.24627%0.272CS..EExtended strand (participates in β ladder)trans-140.293.3170.2170.928.6000107.5W3 A61 F89 L97W3-D100 PolarHBondContact NE1-OD2 3.5Å; A61-D100 HydrophobicContact CB-CB 3.92Å; A61-D100 VanDerWaalsContact CB-CG 3.48Å; F89-D100 WeakPolarHBondContact O-CA 3.07Å; L97-D100 HydrophobicContact CD1-CB 4.44Å; L97-D100 HydrophobicContact CD2-CB 4.2Å
101L86Confident84.2Confident54 Ų5453.7 Ų53.728%0.28328%0.277SS..EExtended strand (participates in β ladder)trans-133.4151.9-172.655.497.2000111.5G88 F89 I108 A111G88-L101 CarbonylContact C-O 3.48Å; G88-L101 WeakPolarHBondContact CA-O 3.38Å; F89-L101 HydrophobicContact CB-CD1 3.67Å; F89-L101 HydrophobicContact CB-CG 3.99Å; F89-L101 HydrophobicContact CD1-CD1 4.07Å; F89-L101 HydrophobicContact CD1-CD2 3.9Å; F89-L101 HydrophobicContact CD1-CG 3.87Å; F89-L101 HydrophobicContact CG-CD1 4.25Å; F89-L101 HydrophobicContact CG-CG 4.4Å; F89-L101 PolarHBondContact N-O 3.25Å; F89-L101 PolarHBondContact O-N 2.71Å; L101-I108 HydrophobicContact CD1-CD1 3.17Å; L101-A111 HydrophobicContact CD1-CB 3.69Å; L101-A111 HydrophobicContact CD2-CB 3.82Å; L101-A111 HydrophobicContact CG-CB 4.39Å
102V85.8Confident84.2Confident87 Ų8754.7 Ų54.753%0.52728%0.281SS..EExtended strand (participates in β ladder)trans-126.1128.7177.6174.90000107.1L78 L86 Y87L78-V102 HydrophobicContact CD1-CB 4.37Å; L78-V102 HydrophobicContact CD1-CG1 3.62Å; L78-V102 HydrophobicContact CD1-CG2 3.86Å; L86-V102 HydrophobicContact CB-CG1 4.41Å; Y87-V102 WeakPolarHBondContact O-CA 3.09Å
103G85.6Confident84.3Confident3 Ų359 Ų593%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-160.3179.7-175.700000113.2Y87 E107Y87-G103 PolarHBondContact N-O 3.46Å; Y87-G103 PolarHBondContact O-N 2.86Å; Y87-G103 VanDerWaalsContact O-N 3.08Å; G103-E107 WeakPolarHBondContact CA-OE2 3.44Å
104T88.1Confident84.5Confident37 Ų3761.5 Ų61.523%0.22731%0.313CS..  trans-67.9169.817077.80000110.6T84 E106 E107 I108T84-T104 HydrophobicContact CG2-CG2 4.48Å; T104-E106 PolarHBondContact O-N 2.83Å; T104-E106 PolarHBondContact OG1-N 3.28Å; T104-E106 PolarHBondContact OG1-OE2 3.42Å; T104-E106 VanDerWaalsContact OG1-OE2 3.06Å; T104-E107 PolarHBondContact N-OE2 3.17Å; T104-E107 PolarHBondContact O-N 3.5Å; T104-E107 PolarHBondContact OG1-N 2.76Å; T104-I108 WeakPolarHBondContact O-CG1 3.26Å; T104-I108 PolarHBondContact O-N 2.98Å
105R87.4Confident85Confident83 Ų8355.4 Ų55.431%0.31328%0.28SS..Hα-helixtrans-54.8-41177.8-170.4-179.7-70178.3-0.3112.5E85 Y87 R109 F134E85-R105 IonicContact OE2-CZ 3.49Å; E85-R105 IonicContact OE2-NE 3.86Å; E85-R105 IonicContact OE2-NH2 2.64Å; E85-R105 PolarHBondContact OE2-NH2 2.75Å; Y87-R105 HydrophobicContact CD2-CB 4.24Å; Y87-R105 HydrophobicContact CE2-CB 3.85Å; Y87-R105 HydrophobicContact CE2-CG 4.24Å; Y87-R105 PolarHBondContact OH-NE 2.88Å; Y87-R105 PolarHBondContact OH-NH2 2.8Å; Y87-R105 VanDerWaalsContact OH-NH2 3.07Å; R105-R109 WeakPolarHBondContact O-CB 3.5Å; R105-R109 PolarHBondContact O-N 2.79Å; R105-F134 HydrophobicContact CB-CZ 4.35Å; R105-F134 HydrophobicContact CG-CE1 4.21Å; R105-F134 HydrophobicContact CG-CE2 3.95Å; R105-F134 HydrophobicContact CG-CZ 3.69Å; R105-F134 WeakPolarHBondContact O-CE1 3.45Å
106E87.1Confident85.5Confident129 Ų12957.7 Ų57.760%0.60329%0.287SS*.Hα-helixtrans-66.7-46.8179.6-64.368.8-149.600111.4T104 I108 R109 E110T104-E106 PolarHBondContact O-N 2.83Å; T104-E106 PolarHBondContact OG1-N 3.28Å; T104-E106 PolarHBondContact OG1-OE2 3.42Å; T104-E106 VanDerWaalsContact OG1-OE2 3.06Å; E106-I108 PolarHBondContact O-N 2.74Å; E106-R109 WeakPolarHBondContact O-CB 3.36Å; E106-R109 PolarHBondContact O-N 2.93Å; E106-E110 PolarHBondContact O-N 2.73Å
107E88.4Confident85.8Confident105 Ų10562.1 Ų62.149%0.49132%0.316SS..Hα-helixtrans-62.5-41.6178.7-65.9172.915600111.5G103 T104 E110 A111G103-E107 WeakPolarHBondContact CA-OE2 3.44Å; T104-E107 PolarHBondContact N-OE2 3.17Å; T104-E107 PolarHBondContact O-N 3.5Å; T104-E107 PolarHBondContact OG1-N 2.76Å; E107-E110 PolarHBondContact O-N 2.79Å; E107-A111 WeakPolarHBondContact O-CB 3.38Å; E107-A111 PolarHBondContact O-N 2.91Å
108I90Very high85.9Confident0 Ų067.3 Ų67.30%034%0.342CS..Hα-helixtrans-68.8-36.5176.5-63.2-40.7000111.8I75 F89 L101 T104 E106 E110 A111 R112 F134I75-I108 HydrophobicContact CD1-CG2 3.81Å; I75-I108 HydrophobicContact CG1-CG2 3.85Å; I75-I108 HydrophobicContact CG2-CG2 4.07Å; F89-I108 HydrophobicContact CB-CD1 3.84Å; F89-I108 HydrophobicContact CB-CG2 3.99Å; F89-I108 HydrophobicContact CD2-CG2 4.24Å; F89-I108 HydrophobicContact CG-CG2 4.44Å; L101-I108 HydrophobicContact CD1-CD1 3.17Å; T104-I108 WeakPolarHBondContact O-CG1 3.26Å; T104-I108 PolarHBondContact O-N 2.98Å; E106-I108 PolarHBondContact O-N 2.74Å; I108-E110 VanDerWaalsContact C-N 3.34Å; I108-A111 PolarHBondContact O-N 3.32Å; I108-R112 WeakPolarHBondContact O-CB 3.23Å; I108-R112 PolarHBondContact O-N 2.96Å; I108-F134 HydrophobicContact CB-CE1 3.83Å; I108-F134 HydrophobicContact CB-CZ 3.85Å; I108-F134 HydrophobicContact CG2-CE1 3.57Å; I108-F134 HydrophobicContact CG2-CZ 3.75Å
109R88.9Confident85.9Confident122 Ų12265.9 Ų65.946%0.4633%0.332SS..Hα-helixtrans-62-45174.9-93-170.466.2155.70.1111.2R105 E106 R112 E113 F134R105-R109 WeakPolarHBondContact O-CB 3.5Å; R105-R109 PolarHBondContact O-N 2.79Å; E106-R109 WeakPolarHBondContact O-CB 3.36Å; E106-R109 PolarHBondContact O-N 2.93Å; R109-R112 PolarHBondContact O-N 3.27Å; R109-E113 IonicContact NE-OE1 2.7Å; R109-E113 IonicContact NH2-OE1 2.84Å; R109-E113 PolarHBondContact NH2-OE1 2.95Å; R109-E113 WeakPolarHBondContact O-CG 3.05Å; R109-E113 PolarHBondContact O-N 3.16Å; R109-F134 HydrophobicContact CB-CE1 4.35Å; R109-F134 HydrophobicContact CG-CD1 3.57Å; R109-F134 HydrophobicContact CG-CE1 3.6Å
110E89Confident85.7Confident124 Ų12469.7 Ų69.758%0.57936%0.359SS*.Hα-helixtrans-62.7-47.2176.7-174176-172.400110.9E106 E107 I108 R112 E113 I114E106-E110 PolarHBondContact O-N 2.73Å; E107-E110 PolarHBondContact O-N 2.79Å; I108-E110 VanDerWaalsContact C-N 3.34Å; E110-R112 VanDerWaalsContact C-N 3.31Å; E110-R112 PolarHBondContact O-N 2.92Å; E110-E113 PolarHBondContact O-N 3.22Å; E110-E113 VanDerWaalsContact O-N 3.14Å; E110-I114 HydrophobicContact CG-CD1 3.94Å; E110-I114 WeakPolarHBondContact O-CB 3.42Å; E110-I114 VanDerWaalsContact O-CG1 3.29Å; E110-I114 WeakPolarHBondContact O-CG1 3.2Å; E110-I114 PolarHBondContact O-N 3.23Å
111A85.9Confident85.2Confident16 Ų1670.5 Ų70.513%0.13237%0.372CS..Hα-helixtrans-59-40.517700000113F89 L101 E107 I108 F115F89-A111 HydrophobicContact CD1-CB 4.23Å; F89-A111 HydrophobicContact CE1-CB 4.38Å; L101-A111 HydrophobicContact CD1-CB 3.69Å; L101-A111 HydrophobicContact CD2-CB 3.82Å; L101-A111 HydrophobicContact CG-CB 4.39Å; E107-A111 WeakPolarHBondContact O-CB 3.38Å; E107-A111 PolarHBondContact O-N 2.91Å; I108-A111 PolarHBondContact O-N 3.32Å; A111-F115 WeakPolarHBondContact O-CB 3.4Å; A111-F115 PolarHBondContact O-N 2.78Å
112R88.6Confident84.6Confident21 Ų2170.1 Ų70.18%0.07937%0.373CS..Hα-helixtrans-63.1-47.3173.4179.3-160.365-176.71111.6Y73 F89 I108 R109 E110 I114 F115 L116 E130 F134Y73-R112 HydrophobicContact CE1-CG 4.31Å; Y73-R112 HydrophobicContact CE2-CG 3.91Å; F89-R112 HydrophobicContact CE2-CB 3.93Å; F89-R112 HydrophobicContact CE2-CG 4.38Å; F89-R112 HydrophobicContact CZ-CB 4.4Å; I108-R112 WeakPolarHBondContact O-CB 3.23Å; I108-R112 PolarHBondContact O-N 2.96Å; R109-R112 PolarHBondContact O-N 3.27Å; E110-R112 VanDerWaalsContact C-N 3.31Å; E110-R112 PolarHBondContact O-N 2.92Å; R112-I114 VanDerWaalsContact C-N 3.32Å; R112-I114 PolarHBondContact O-N 3.45Å; R112-F115 PolarHBondContact O-N 2.94Å; R112-L116 HydrophobicContact CG-CD1 4.05Å; R112-L116 WeakPolarHBondContact O-CG 3.21Å; R112-L116 PolarHBondContact O-N 3.45Å; R112-E130 WeakPolarHBondContact CD-OE1 3.37Å; R112-E130 IonicContact NH1-OE1 3.46Å; R112-E130 PolarHBondContact NH1-OE1 2.94Å; R112-E130 IonicContact NH1-OE2 3.86Å; R112-F134 PolarHBondContact NH1-O 2.68Å
113E86.8Confident84Confident90 Ų9075.3 Ų75.342%0.42139%0.391SS..Hα-helixtrans-62.6-40179.1-75.1172.5-164.400111.3R109 E110 L116 T117R109-E113 IonicContact NE-OE1 2.7Å; R109-E113 IonicContact NH2-OE1 2.84Å; R109-E113 PolarHBondContact NH2-OE1 2.95Å; R109-E113 WeakPolarHBondContact O-CG 3.05Å; R109-E113 PolarHBondContact O-N 3.16Å; E110-E113 PolarHBondContact O-N 3.22Å; E110-E113 VanDerWaalsContact O-N 3.14Å; E113-L116 PolarHBondContact O-N 2.97Å; E113-T117 WeakPolarHBondContact O-CB 3.32Å; E113-T117 PolarHBondContact O-N 3.25Å; E113-T117 PolarHBondContact O-OG1 2.95Å
114I85.1Confident83.5Confident83 Ų8383.5 Ų83.543%0.42643%0.429SS..Hα-helixtrans-61.6-48.3172.7-69.1168.7000110.8E110 R112 L116 T117 I118E110-I114 HydrophobicContact CG-CD1 3.94Å; E110-I114 WeakPolarHBondContact O-CB 3.42Å; E110-I114 VanDerWaalsContact O-CG1 3.29Å; E110-I114 WeakPolarHBondContact O-CG1 3.2Å; E110-I114 PolarHBondContact O-N 3.23Å; R112-I114 VanDerWaalsContact C-N 3.32Å; R112-I114 PolarHBondContact O-N 3.45Å; I114-L116 VanDerWaalsContact C-N 3.34Å; I114-L116 PolarHBondContact O-N 3.4Å; I114-T117 PolarHBondContact O-N 2.93Å; I114-T117 VanDerWaalsContact O-N 3.16Å; I114-I118 HydrophobicContact CG2-CD1 3.48Å; I114-I118 VanDerWaalsContact CG2-CD1 3.48Å; I114-I118 HydrophobicContact CG2-CG1 4.28Å; I114-I118 WeakPolarHBondContact O-CB 3.33Å; I114-I118 WeakPolarHBondContact O-CG1 3.49Å; I114-I118 PolarHBondContact O-N 3.46Å
115F86Confident83.1Confident5 Ų583.4 Ų83.42%0.02243%0.434CS..Hα-helixtrans-57.1-46.9178.1173-96.9000111.9Y73 F89 S91 V93 V98 A111 R112 T117 N119 W126Y73-F115 AromaticContact CD1-CD1 3.85Å; Y73-F115 HydrophobicContact CD1-CD1 3.85Å; Y73-F115 AromaticContact CD1-CE1 3.81Å; Y73-F115 HydrophobicContact CD1-CE1 3.81Å; F89-F115 HydrophobicContact CE1-CB 4.39Å; F89-F115 HydrophobicContact CZ-CB 3.92Å; F89-F115 HydrophobicContact CZ-CG 4.23Å; S91-F115 WeakPolarHBondContact OG-CD2 3.39Å; V93-F115 HydrophobicContact CG2-CE2 3.81Å; V93-F115 HydrophobicContact CG2-CZ 4.03Å; V98-F115 HydrophobicContact CB-CE2 4.46Å; V98-F115 HydrophobicContact CG1-CD2 4.28Å; V98-F115 HydrophobicContact CG1-CE2 4.41Å; A111-F115 WeakPolarHBondContact O-CB 3.4Å; A111-F115 PolarHBondContact O-N 2.78Å; R112-F115 PolarHBondContact O-N 2.94Å; F115-T117 VanDerWaalsContact C-N 3.3Å; F115-T117 PolarHBondContact O-N 3.47Å; F115-N119 VanDerWaalsContact CD2-ND2 3.28Å; F115-N119 WeakPolarHBondContact CD2-ND2 3.4Å; F115-N119 HydrophobicContact CE2-CB 4.39Å; F115-N119 WeakPolarHBondContact O-CB 3.33Å; F115-N119 PolarHBondContact O-N 2.79Å; F115-N119 PolarHBondContact O-ND2 2.9Å; F115-W126 HydrophobicContact CE1-CD2 4.21Å; F115-W126 HydrophobicContact CE1-CZ2 4.38Å; F115-W126 HydrophobicContact CZ-CD2 4.42Å; F115-W126 HydrophobicContact CZ-CE3 4.31Å; F115-W126 HydrophobicContact CZ-CH2 4.15Å; F115-W126 HydrophobicContact CZ-CZ2 4.25Å; F115-W126 HydrophobicContact CZ-CZ3 4.17Å
116L85.1Confident82.9Confident68 Ų6881.5 Ų81.536%0.35643%0.427SS..Hα-helixtrans-69.6-25.7179.3-69.5174.1000113.3Y73 R112 E113 I114Y73-L116 HydrophobicContact CE1-CD2 4.07Å; Y73-L116 HydrophobicContact CE1-CG 4.43Å; R112-L116 HydrophobicContact CG-CD1 4.05Å; R112-L116 WeakPolarHBondContact O-CG 3.21Å; R112-L116 PolarHBondContact O-N 3.45Å; E113-L116 PolarHBondContact O-N 2.97Å; I114-L116 VanDerWaalsContact C-N 3.34Å; I114-L116 PolarHBondContact O-N 3.4Å
117T83.5Confident82.9Confident120 Ų12076 Ų7674%0.73640%0.403SS*.Hα-helixtrans-80.5-38.2177.5-57.60000111.8E113 I114 F115E113-T117 WeakPolarHBondContact O-CB 3.32Å; E113-T117 PolarHBondContact O-N 3.25Å; E113-T117 PolarHBondContact O-OG1 2.95Å; I114-T117 PolarHBondContact O-N 2.93Å; I114-T117 VanDerWaalsContact O-N 3.16Å; F115-T117 VanDerWaalsContact C-N 3.3Å; F115-T117 PolarHBondContact O-N 3.47Å
118I80Confident82.9Confident120 Ų12071.6 Ų71.662%0.61538%0.383SS*.Hα-helixtrans-82-36.6-176-64.8175.4000111.4I114I114-I118 HydrophobicContact CG2-CD1 3.48Å; I114-I118 VanDerWaalsContact CG2-CD1 3.48Å; I114-I118 HydrophobicContact CG2-CG1 4.28Å; I114-I118 WeakPolarHBondContact O-CB 3.33Å; I114-I118 WeakPolarHBondContact O-CG1 3.49Å; I114-I118 PolarHBondContact O-N 3.46Å
119N80.3Confident82.8Confident37 Ų3773.1 Ų73.120%0.19839%0.389CS..SBendtrans-105.2124.5-172.5-56.8-76.8000111.3V93 F115 W126V93-N119 HydrophobicContact CG2-CB 4.29Å; F115-N119 VanDerWaalsContact CD2-ND2 3.28Å; F115-N119 WeakPolarHBondContact CD2-ND2 3.4Å; F115-N119 HydrophobicContact CE2-CB 4.39Å; F115-N119 WeakPolarHBondContact O-CB 3.33Å; F115-N119 PolarHBondContact O-N 2.79Å; F115-N119 PolarHBondContact O-ND2 2.9Å; N119-W126 HydrophobicContact CB-CH2 3.97Å; N119-W126 HydrophobicContact CB-CZ2 3.63Å
120S77.4Confident82.7Confident113 Ų11368 Ų6879%0.7937%0.37SS*.PPolyproline II helixtrans-74133.6174.9-630000110.6W126S120-W126 WeakPolarHBondContact O-CZ2 3.36Å
121A74.9Confident82.3Confident64 Ų6462.3 Ų62.353%0.52934%0.344SS..PPolyproline II helixtrans-63.1137.5179.600000111.7W126A121-W126 HydrophobicContact CB-CG 4.47Å
122P72Confident81.9Confident45 Ų4566.5 Ų66.529%0.29237%0.37SS..PPolyproline II helixtrans-66.1164.6172.625.9-31.1000111.1H124 G125 W126P122-H124 PolarHBondContact O-N 3.36Å; P122-G125 WeakPolarHBondContact CG-O 3.28Å; P122-G125 PolarHBondContact O-N 3.21Å; P122-W126 HydrophobicContact CG-CE3 4.12Å; P122-W126 HydrophobicContact CG-CZ3 4.23Å
123E73.5Confident81.5Confident196 Ų19667.4 Ų67.492%0.91638%0.38SS*.THydrogen-bonded Turntrans-53-26-176.9-73.8-171165.300114.2
124H74.8Confident81.1Confident176 Ų17663.3 Ų63.382%0.81536%0.361SS*.THydrogen-bonded Turntrans-97.74.8179.8-60.3-38.6000114.5P122P122-H124 PolarHBondContact O-N 3.36Å
125G80.9Confident80.4Confident34 Ų3466.5 Ų66.535%0.35138%0.379SS..  trans76.5169.1-174.200000113.4P122P122-G125 WeakPolarHBondContact CG-O 3.28Å; P122-G125 PolarHBondContact O-N 3.21Å
126W83.7Confident79.3Confident43 Ų4367.5 Ų67.516%0.16339%0.391CS..  trans-77.1144.2178.7-67.5121.8000112.1G71 V93 F115 N119 S120 A121 P122 C128G71-W126 VanDerWaalsContact C-CE3 3.48Å; V93-W126 HydrophobicContact CG1-CH2 4.23Å; V93-W126 HydrophobicContact CG2-CH2 3.71Å; V93-W126 HydrophobicContact CG2-CZ3 3.99Å; F115-W126 HydrophobicContact CE1-CD2 4.21Å; F115-W126 HydrophobicContact CE1-CZ2 4.38Å; F115-W126 HydrophobicContact CZ-CD2 4.42Å; F115-W126 HydrophobicContact CZ-CE3 4.31Å; F115-W126 HydrophobicContact CZ-CH2 4.15Å; F115-W126 HydrophobicContact CZ-CZ2 4.25Å; F115-W126 HydrophobicContact CZ-CZ3 4.17Å; N119-W126 HydrophobicContact CB-CH2 3.97Å; N119-W126 HydrophobicContact CB-CZ2 3.63Å; S120-W126 WeakPolarHBondContact O-CZ2 3.36Å; A121-W126 HydrophobicContact CB-CG 4.47Å; P122-W126 HydrophobicContact CG-CE3 4.12Å; P122-W126 HydrophobicContact CG-CZ3 4.23Å; W126-C128 VanDerWaalsContact CB-SG 3.55Å; W126-C128 PolarHBondContact O-N 2.81Å
127T86.8Confident78Confident15 Ų1569 Ų699%0.09241%0.405CS..EExtended strand (participates in β ladder)trans-81.8100.2166.5-58.20000109.6G71 G72 Y73 Y129G71-T127 WeakPolarHBondContact O-CB 3.24Å; G71-T127 PolarHBondContact O-N 3.29Å; G72-T127 CarbonylContact C-O 3.59Å; G72-T127 VanDerWaalsContact CA-O 3.26Å; G72-T127 WeakPolarHBondContact CA-O 3.41Å; Y73-T127 PolarHBondContact N-O 2.86Å; T127-Y129 HydrophobicContact CG2-CD2 4.43Å; T127-Y129 HydrophobicContact CG2-CE2 3.78Å
128C88.2Confident76.8Confident12 Ų1271.4 Ų71.48%0.08141%0.413CS..EExtended strand (participates in β ladder)trans-106.4131.5-175.9-540000111.5Y73 W126 G139 R140Y73-C128 HydrophobicContact CE1-CB 4.04Å; Y73-C128 WeakPolarHBondContact CE1-SG 3.48Å; Y73-C128 HydrophobicContact CE2-CB 4.32Å; Y73-C128 CarbonylContact O-C 3.42Å; Y73-C128 VanDerWaalsContact O-CA 3.26Å; Y73-C128 WeakPolarHBondContact O-CA 3.48Å; W126-C128 VanDerWaalsContact CB-SG 3.55Å; W126-C128 PolarHBondContact O-N 2.81Å; C128-G139 CarbonylContact O-C 3.56Å; C128-G139 WeakPolarHBondContact O-CA 3.41Å; C128-R140 WeakPolarHBondContact O-CB 3.46Å; C128-R140 PolarHBondContact O-N 2.78Å
129Y88Confident75.8Confident31 Ų3167.4 Ų67.412%0.12240%0.401CS..EExtended strand (participates in β ladder)trans-115.9120.2166-67.3-89.9000109L67 L68 Y73 A74 I75 T127 R140 L143L67-Y129 HydrophobicContact CB-CE2 4.42Å; L68-Y129 HydrophobicContact CD2-CD2 4.11Å; L68-Y129 HydrophobicContact CD2-CE2 4.39Å; Y73-Y129 PolarHBondContact O-N 3.46Å; A74-Y129 CarbonylContact C-O 3.57Å; A74-Y129 WeakPolarHBondContact CA-O 3.38Å; A74-Y129 HydrophobicContact CB-CD2 4.24Å; A74-Y129 HydrophobicContact CB-CG 4.45Å; I75-Y129 PolarHBondContact N-O 2.93Å; T127-Y129 HydrophobicContact CG2-CD2 4.43Å; T127-Y129 HydrophobicContact CG2-CE2 3.78Å; Y129-R140 HydrophobicContact CD1-CB 3.83Å; Y129-R140 HydrophobicContact CE1-CB 3.68Å; Y129-R140 HydrophobicContact CE1-CG 4.48Å; Y129-R140 HydrophobicContact CG-CB 4.48Å; Y129-R140 WeakPolarHBondContact OH-CD 3.36Å; Y129-R140 PolarHBondContact OH-NH1 3.49Å; Y129-L143 HydrophobicContact CD1-CB 3.94Å; Y129-L143 HydrophobicContact CD1-CD1 4.36Å; Y129-L143 HydrophobicContact CE1-CD1 4.33Å; Y129-L143 HydrophobicContact CG-CB 4.18Å; Y129-L143 HydrophobicContact CG-CD2 4.49Å
130E86.2Confident74.9Confident14 Ų1472.4 Ų72.47%0.06542%0.417CS..  trans-135.4144.3178.9-64.9-162.5171.600112.5Y73 I75 R112 F134 G136Y73-E130 HydrophobicContact CE2-CG 3.71Å; Y73-E130 WeakPolarHBondContact CE2-OE1 3.39Å; Y73-E130 VanDerWaalsContact CZ-OE1 3.22Å; Y73-E130 PolarHBondContact OH-OE1 3.41Å; I75-E130 HydrophobicContact CD1-CG 3.96Å; I75-E130 HydrophobicContact CG1-CG 4.48Å; R112-E130 WeakPolarHBondContact CD-OE1 3.37Å; R112-E130 IonicContact NH1-OE1 3.46Å; R112-E130 PolarHBondContact NH1-OE1 2.94Å; R112-E130 IonicContact NH1-OE2 3.86Å; E130-F134 HydrophobicContact CB-CB 4.43Å; E130-F134 VanDerWaalsContact OE2-CB 3.31Å; E130-F134 WeakPolarHBondContact OE2-CB 3.36Å; E130-G136 WeakPolarHBondContact OE2-CA 3.44Å; E130-G136 PolarHBondContact OE2-N 2.93Å
131P81.7Confident74.5Confident5 Ų569.4 Ų69.43%0.03240%0.404CS..  trans-66152.7164.4-13.827.3000110.8I75 E77 Y87 S133 F134I75-P131 HydrophobicContact CB-CG 4.45Å; I75-P131 HydrophobicContact CG2-CG 3.88Å; I75-P131 WeakPolarHBondContact O-CD 3.42Å; E77-P131 HydrophobicContact CG-CB 4.22Å; E77-P131 HydrophobicContact CG-CG 3.92Å; E77-P131 WeakPolarHBondContact OE1-CB 3.37Å; Y87-P131 HydrophobicContact CD1-CG 4.28Å; Y87-P131 HydrophobicContact CE1-CG 4.17Å; P131-S133 PolarHBondContact O-N 3.4Å; P131-F134 HydrophobicContact CG-CD2 4.28Å; P131-F134 PolarHBondContact O-N 3.35Å; P131-F134 VanDerWaalsContact O-N 3.1Å
132P77.4Confident74.6Confident104 Ų10469.9 Ų69.968%0.67540%0.402SS*.G310 helixtrans-54.2-20.8177.4-2634.1000114.8F134 N135P132-F134 VanDerWaalsContact C-N 3.35Å; P132-F134 PolarHBondContact O-N 2.93Å; P132-N135 PolarHBondContact O-OD1 2.74Å
133S78.5Confident75.1Confident41 Ų4168.6 Ų68.629%0.28739%0.392SS..G310 helixtrans-73.8-16.2-179.653.30000115P131P131-S133 PolarHBondContact O-N 3.4Å
134F79.4Confident75.3Confident4 Ų462.3 Ų62.32%0.01837%0.368CS..G310 helixtrans-95.5-9.5-176.3-83.2-100000115I75 Y87 R105 I108 R109 R112 E130 P131 P132 G136I75-F134 HydrophobicContact CD1-CB 4.25Å; I75-F134 HydrophobicContact CD1-CD1 3.55Å; I75-F134 HydrophobicContact CD1-CD2 4.35Å; I75-F134 HydrophobicContact CD1-CE1 3.92Å; I75-F134 HydrophobicContact CD1-CG 3.79Å; I75-F134 HydrophobicContact CD1-CZ 4.45Å; I75-F134 HydrophobicContact CG2-CD2 4.12Å; I75-F134 HydrophobicContact CG2-CE2 3.87Å; I75-F134 HydrophobicContact CG2-CZ 4.12Å; Y87-F134 AromaticContact CD1-CE2 3.57Å; Y87-F134 HydrophobicContact CD1-CE2 3.57Å; Y87-F134 HydrophobicContact CD1-CZ 4.17Å; Y87-F134 HydrophobicContact CD2-CE2 4.12Å; Y87-F134 HydrophobicContact CD2-CZ 4.13Å; Y87-F134 HydrophobicContact CE1-CD2 4.39Å; Y87-F134 AromaticContact CE1-CE2 3.57Å; Y87-F134 HydrophobicContact CE1-CE2 3.57Å; Y87-F134 HydrophobicContact CE1-CZ 4.47Å; Y87-F134 HydrophobicContact CE2-CE2 4.14Å; Y87-F134 HydrophobicContact CE2-CZ 4.45Å; Y87-F134 AromaticContact CG-CE2 3.85Å; Y87-F134 HydrophobicContact CG-CE2 3.85Å; Y87-F134 AromaticContact CG-CZ 3.99Å; Y87-F134 HydrophobicContact CG-CZ 3.99Å; Y87-F134 AromaticContact CZ-CE2 3.87Å; R105-F134 HydrophobicContact CB-CZ 4.35Å; R105-F134 HydrophobicContact CG-CE1 4.21Å; R105-F134 HydrophobicContact CG-CE2 3.95Å; R105-F134 HydrophobicContact CG-CZ 3.69Å; R105-F134 WeakPolarHBondContact O-CE1 3.45Å; I108-F134 HydrophobicContact CB-CE1 3.83Å; I108-F134 HydrophobicContact CB-CZ 3.85Å; I108-F134 HydrophobicContact CG2-CE1 3.57Å; I108-F134 HydrophobicContact CG2-CZ 3.75Å; R109-F134 HydrophobicContact CB-CE1 4.35Å; R109-F134 HydrophobicContact CG-CD1 3.57Å; R109-F134 HydrophobicContact CG-CE1 3.6Å; R112-F134 PolarHBondContact NH1-O 2.68Å; E130-F134 HydrophobicContact CB-CB 4.43Å; E130-F134 VanDerWaalsContact OE2-CB 3.31Å; E130-F134 WeakPolarHBondContact OE2-CB 3.36Å; P131-F134 HydrophobicContact CG-CD2 4.28Å; P131-F134 PolarHBondContact O-N 3.35Å; P131-F134 VanDerWaalsContact O-N 3.1Å; P132-F134 VanDerWaalsContact C-N 3.35Å; P132-F134 PolarHBondContact O-N 2.93Å; F134-G136 VanDerWaalsContact C-N 3.28Å; F134-G136 PolarHBondContact O-N 3.23Å
135N70.5Confident75.4Confident150 Ų15057 Ų5780%0.80235%0.346SS*.  trans46.943176.6-72-20.6000114.3P132P132-N135 PolarHBondContact O-OD1 2.74Å
136G62.6Low75.3Confident26 Ų2662.9 Ų62.927%0.26836%0.364SS..  trans-73.9153177.400000114.2E130 F134E130-G136 WeakPolarHBondContact OE2-CA 3.44Å; E130-G136 PolarHBondContact OE2-N 2.93Å; F134-G136 VanDerWaalsContact C-N 3.28Å; F134-G136 PolarHBondContact O-N 3.23Å
137P56.9Low75.1Confident100 Ų10065.2 Ų65.265%0.64938%0.383SS*.SBendtrans-70.9128.6173.728.7-30.8000110.6G139P137-G139 VanDerWaalsContact C-N 3.3Å; P137-G139 PolarHBondContact O-N 2.84Å
138D58.7Low74.6Confident170 Ų17065.1 Ų65.191%0.90938%0.382SS*.SBendtrans51.430.2167.7-60.9-25.2000118.2
139G58.9Low73.9Confident36 Ų3667.8 Ų67.837%0.37140%0.398SS..PPolyproline II helixtrans-71.3143.4177.400000114.2C128 P137C128-G139 CarbonylContact O-C 3.56Å; C128-G139 WeakPolarHBondContact O-CA 3.41Å; P137-G139 VanDerWaalsContact C-N 3.3Å; P137-G139 PolarHBondContact O-N 2.84Å
140R62.6Low73Confident142 Ų14269.3 Ų69.354%0.53642%0.423SS..BIsolated β-bridgetrans-59.1140159.8-65.2-179179.8172.33.4107.1C128 Y129C128-R140 WeakPolarHBondContact O-CB 3.46Å; C128-R140 PolarHBondContact O-N 2.78Å; Y129-R140 HydrophobicContact CD1-CB 3.83Å; Y129-R140 HydrophobicContact CE1-CB 3.68Å; Y129-R140 HydrophobicContact CE1-CG 4.48Å; Y129-R140 HydrophobicContact CG-CB 4.48Å; Y129-R140 WeakPolarHBondContact OH-CD 3.36Å; Y129-R140 PolarHBondContact OH-NH1 3.49Å
141G69.3Low71.9Confident49 Ų4971 Ų7151%0.50544%0.439SS..PPolyproline II helixtrans-52.4172.9-176.700000113.9L143G141-L143 PolarHBondContact O-N 3.1Å
142P76.3Confident71.2Confident75 Ų7574.4 Ų74.449%0.48748%0.475SS..PPolyproline II helixtrans-52.8139.7-172.823-34000111P144P142-P144 WeakPolarHBondContact O-CD 3.25Å
143L81.5Confident70.9Confident17 Ų1778.8 Ų78.89%0.08948%0.484CS..  trans-92.996.6173.3-174.465.1000108.2I64 L67 A74 V76 Y129 G141 L145 L148I64-L143 HydrophobicContact CG1-CD2 4.23Å; L67-L143 HydrophobicContact CD1-CD1 4.16Å; L67-L143 HydrophobicContact CD1-CD2 3.99Å; A74-L143 HydrophobicContact CB-CD2 4.47Å; V76-L143 HydrophobicContact CG2-CD2 4.32Å; Y129-L143 HydrophobicContact CD1-CB 3.94Å; Y129-L143 HydrophobicContact CD1-CD1 4.36Å; Y129-L143 HydrophobicContact CE1-CD1 4.33Å; Y129-L143 HydrophobicContact CG-CB 4.18Å; Y129-L143 HydrophobicContact CG-CD2 4.49Å; G141-L143 PolarHBondContact O-N 3.1Å; L143-L145 PolarHBondContact O-N 3.36Å; L143-L148 HydrophobicContact CD2-CD1 3.88Å; L143-L148 HydrophobicContact CD2-CD2 4.23Å; L143-L148 HydrophobicContact CD2-CG 4.28Å; L143-L148 HydrophobicContact CG-CD1 4.2Å; L143-L148 HydrophobicContact CG-CG 4.33Å
144P78Confident70.7Confident64 Ų6480.1 Ų80.142%0.41648%0.483SS..  trans-65.8137.5-176.4-14.130.8000109.3P142 E146 T147P142-P144 WeakPolarHBondContact O-CD 3.25Å; P144-E146 PolarHBondContact O-N 3.47Å; P144-E146 VanDerWaalsContact O-N 3.11Å; P144-T147 WeakPolarHBondContact CD-OG1 3.28Å; P144-T147 VanDerWaalsContact O-CB 3.32Å; P144-T147 WeakPolarHBondContact O-CB 3.33Å; P144-T147 PolarHBondContact O-N 3.29Å; P144-T147 PolarHBondContact O-OG1 3.37Å
145L78Confident70.6Confident65 Ų6582.6 Ų82.634%0.3450%0.499SS..Hα-helixtrans-55.5-34.2179.3-172.365.3000111.7L60 V76 L143 T147 L148 T149L60-L145 HydrophobicContact CD1-CD1 3.71Å; L60-L145 HydrophobicContact CD2-CD1 4.24Å; V76-L145 HydrophobicContact CG1-CB 4.41Å; V76-L145 HydrophobicContact CG1-CD1 4.17Å; L143-L145 PolarHBondContact O-N 3.36Å; L145-T147 VanDerWaalsContact C-N 3.25Å; L145-T147 PolarHBondContact O-N 3.46Å; L145-L148 PolarHBondContact O-N 3.33Å; L145-L148 VanDerWaalsContact O-N 3.08Å; L145-T149 HydrophobicContact CD1-CG2 4.39Å; L145-T149 HydrophobicContact CG-CG2 4.25Å; L145-T149 PolarHBondContact O-N 3.47Å; L145-T149 PolarHBondContact O-OG1 3.26Å; L145-T149 VanDerWaalsContact O-OG1 3.07Å
146E78.6Confident70.9Confident158 Ų15879 Ų7974%0.73849%0.49SS*.Hα-helixtrans-58.1-33.4176-63.2176.8-178.400113.3P144 L148 T149 G150P144-E146 PolarHBondContact O-N 3.47Å; P144-E146 VanDerWaalsContact O-N 3.11Å; E146-L148 VanDerWaalsContact C-N 3.31Å; E146-L148 PolarHBondContact O-N 3.29Å; E146-T149 PolarHBondContact O-N 3.3Å; E146-G150 WeakPolarHBondContact O-CA 3.05Å; E146-G150 PolarHBondContact O-N 3.45Å
147T78.9Confident71.7Confident92 Ų9284.1 Ų84.156%0.56451%0.507SS*.Hα-helixtrans-67.2-36.4177.4-53.90000111.1P144 L145P144-T147 WeakPolarHBondContact CD-OG1 3.28Å; P144-T147 VanDerWaalsContact O-CB 3.32Å; P144-T147 WeakPolarHBondContact O-CB 3.33Å; P144-T147 PolarHBondContact O-N 3.29Å; P144-T147 PolarHBondContact O-OG1 3.37Å; L145-T147 VanDerWaalsContact C-N 3.25Å; L145-T147 PolarHBondContact O-N 3.46Å
148L76.4Confident72.8Confident13 Ų1379.4 Ų79.47%0.06848%0.476CS..Hα-helixtrans-79.2-35.6177.8-63.4171.4000111.6L60 L63 I64 L67 L143 L145 E146 Y154L60-L148 HydrophobicContact CD1-CB 4.42Å; L60-L148 HydrophobicContact CD1-CD1 3.61Å; L63-L148 HydrophobicContact CB-CD2 4.38Å; I64-L148 HydrophobicContact CD1-CD1 3.88Å; I64-L148 HydrophobicContact CG1-CD1 3.55Å; I64-L148 HydrophobicContact CG1-CD2 4.22Å; L67-L148 HydrophobicContact CD1-CD2 3.66Å; L143-L148 HydrophobicContact CD2-CD1 3.88Å; L143-L148 HydrophobicContact CD2-CD2 4.23Å; L143-L148 HydrophobicContact CD2-CG 4.28Å; L143-L148 HydrophobicContact CG-CD1 4.2Å; L143-L148 HydrophobicContact CG-CG 4.33Å; L145-L148 PolarHBondContact O-N 3.33Å; L145-L148 VanDerWaalsContact O-N 3.08Å; E146-L148 VanDerWaalsContact C-N 3.31Å; E146-L148 PolarHBondContact O-N 3.29Å; L148-Y154 WeakPolarHBondContact O-CE1 3.49Å
149T73.7Confident74Confident68 Ų6877 Ų7742%0.41746%0.455SS..Hα-helixtrans-92.3-9.5-177.461.30000114.1L145 E146 Y154L145-T149 HydrophobicContact CD1-CG2 4.39Å; L145-T149 HydrophobicContact CG-CG2 4.25Å; L145-T149 PolarHBondContact O-N 3.47Å; L145-T149 PolarHBondContact O-OG1 3.26Å; L145-T149 VanDerWaalsContact O-OG1 3.07Å; E146-T149 PolarHBondContact O-N 3.3Å; T149-Y154 PolarHBondContact O-OH 3.36Å
150G69.2Low75.2Confident62 Ų6275.5 Ų75.564%0.63944%0.438SS*.  trans-80.9-16.7-177.600000115.5E146 G152E146-G150 WeakPolarHBondContact O-CA 3.05Å; E146-G150 PolarHBondContact O-N 3.45Å; G150-G152 PolarHBondContact O-N 3.03Å; G150-G152 VanDerWaalsContact O-N 3.15Å
151A62.9Low76.2Confident49 Ų4972.2 Ų72.241%0.40543%0.429SS..  trans-71.6107.3-177.600000111K153 Y154A151-K153 PolarHBondContact O-N 3.02Å; A151-Y154 WeakPolarHBondContact O-CE2 3.4Å
152G66.2Low76.8Confident77 Ų7773.5 Ų73.579%0.79443%0.428SS*.SBendtrans-58.1-11.9-178.800000115.5G150G150-G152 PolarHBondContact O-N 3.03Å; G150-G152 VanDerWaalsContact O-N 3.15Å
153K71Confident77.1Confident196 Ų19670.1 Ų70.185%0.85241%0.406SS*.SBendtrans-125.2115.2169.9-70.7-178.8-179.9177.30109.1A151A151-K153 PolarHBondContact O-N 3.02Å
154Y75.3Confident76.5Confident70 Ų7072.6 Ų72.628%0.27543%0.425SS..  trans-96.5147.2173.6-59.1-86.8000110.4F58 L63 L148 T149 A151F58-Y154 HydrophobicContact CD1-CD2 4.49Å; F58-Y154 HydrophobicContact CD1-CG 4.14Å; F58-Y154 HydrophobicContact CD2-CD2 4.02Å; F58-Y154 HydrophobicContact CD2-CE2 4.18Å; F58-Y154 HydrophobicContact CD2-CG 4.18Å; F58-Y154 AromaticContact CE1-CD2 3.98Å; F58-Y154 HydrophobicContact CE1-CD2 3.98Å; F58-Y154 AromaticContact CE1-CG 3.95Å; F58-Y154 HydrophobicContact CE1-CG 3.95Å; F58-Y154 AromaticContact CE2-CD2 3.43Å; F58-Y154 HydrophobicContact CE2-CD2 3.43Å; F58-Y154 VanDerWaalsContact CE2-CD2 3.43Å; F58-Y154 AromaticContact CE2-CE2 3.68Å; F58-Y154 HydrophobicContact CE2-CE2 3.68Å; F58-Y154 AromaticContact CE2-CG 3.98Å; F58-Y154 HydrophobicContact CE2-CG 3.98Å; F58-Y154 HydrophobicContact CG-CG 4.26Å; F58-Y154 AromaticContact CZ-CD2 3.41Å; F58-Y154 HydrophobicContact CZ-CD2 3.41Å; F58-Y154 VanDerWaalsContact CZ-CD2 3.41Å; F58-Y154 HydrophobicContact CZ-CE2 4.12Å; F58-Y154 AromaticContact CZ-CG 3.86Å; F58-Y154 HydrophobicContact CZ-CG 3.86Å; L63-Y154 HydrophobicContact CD1-CD1 4.06Å; L63-Y154 HydrophobicContact CD1-CE1 4.21Å; L63-Y154 HydrophobicContact CD2-CD1 3.79Å; L148-Y154 WeakPolarHBondContact O-CE1 3.49Å; T149-Y154 PolarHBondContact O-OH 3.36Å; A151-Y154 WeakPolarHBondContact O-CE2 3.4Å
155P76.3Confident75.5Confident55 Ų5577 Ų7736%0.35743%0.433SS..  trans-56.5147175.919.1-28.2000111.6L63 E157 A158L63-P155 HydrophobicContact CD2-CG 3.97Å; P155-E157 WeakPolarHBondContact CB-OE2 3.31Å; P155-E157 PolarHBondContact O-N 2.92Å; P155-A158 HydrophobicContact CG-CB 4.11Å; P155-A158 PolarHBondContact O-N 2.86Å
156A78.4Confident74.3Confident74 Ų7476.2 Ų76.261%0.61244%0.441SS*.G310 helixtrans-64.7-32.5-178.300000111.3A158 R159A156-A158 VanDerWaalsContact C-N 3.27Å; A156-A158 PolarHBondContact O-N 2.57Å; A156-R159 PolarHBondContact O-N 3.14Å
157E78.2Confident72.8Confident135 Ų13573.2 Ų73.263%0.63144%0.435SS*.G310 helixtrans-64.5-29.8179-57.890.4-175.700112.7I26 P155 R159I26-E157 WeakPolarHBondContact CD1-O 3.29Å; P155-E157 WeakPolarHBondContact CB-OE2 3.31Å; P155-E157 PolarHBondContact O-N 2.92Å; E157-R159 VanDerWaalsContact C-N 3.27Å; E157-R159 PolarHBondContact O-N 3.26Å
158A81.2Confident71.2Confident0 Ų073 Ų730%043%0.427CS..G310 helixtrans-76.2-11.8-179.500000113.5F58 S59 M62 L63 P155 A156F58-A158 CarbonylContact C-O 3.57Å; F58-A158 WeakPolarHBondContact CA-O 3.42Å; F58-A158 HydrophobicContact CB-CB 4.42Å; F58-A158 HydrophobicContact CD1-CB 4.29Å; S59-A158 PolarHBondContact N-O 3.07Å; M62-A158 HydrophobicContact CB-CB 3.89Å; L63-A158 HydrophobicContact CD2-CB 3.68Å; L63-A158 HydrophobicContact CG-CB 4.1Å; P155-A158 HydrophobicContact CG-CB 4.11Å; P155-A158 PolarHBondContact O-N 2.86Å; A156-A158 VanDerWaalsContact C-N 3.27Å; A156-A158 PolarHBondContact O-N 2.57Å
159R83.1Confident69.7Low121 Ų12178.4 Ų78.446%0.45746%0.456SS..BIsolated β-bridgetrans-83.3133.1-172.9-176.5-179.2-87.8176.3-1.9112F58 A156 E157 H161F58-R159 HydrophobicContact CD1-CB 4.07Å; F58-R159 HydrophobicContact CE1-CB 3.99Å; F58-R159 HydrophobicContact CE1-CG 4.29Å; A156-R159 PolarHBondContact O-N 3.14Å; E157-R159 VanDerWaalsContact C-N 3.27Å; E157-R159 PolarHBondContact O-N 3.26Å; R159-H161 PolarHBondContact O-CD2 3.43Å; R159-H161 PolarHBondContact O-N 3.38Å; R159-H161 PolarHBondContact O-NE2 3.24Å
160L83.6Confident68.6Low4 Ų480.3 Ų80.32%0.02146%0.463CS..  trans-68.7114.7170.1-80.9137.1000112M1 R24 Y25 V45 Y57M1-L160 HydrophobicContact CE-CD1 3.82Å; M1-L160 HydrophobicContact CE-CD2 4.12Å; M1-L160 HydrophobicContact CE-CG 4.39Å; M1-L160 HydrophobicContact SD-CD2 4.16Å; R24-L160 HydrophobicContact CB-CB 4.14Å; R24-L160 HydrophobicContact CB-CD2 4.09Å; Y25-L160 CarbonylContact O-C 3.58Å; V45-L160 HydrophobicContact CB-CD2 4.41Å; V45-L160 HydrophobicContact CG2-CD2 3.72Å; Y57-L160 HydrophobicContact CG-CD1 4.43Å; Y57-L160 PolarHBondContact O-N 3.43Å
161H84.2Confident67.8Low72 Ų7280 Ų8033%0.33345%0.45SS..EExtended strand (participates in β ladder)trans-83.4139.9-178.9-63.6-81.9000112.1R24 Y25 R159R24-H161 CarbonylContact C-O 3.56Å; R24-H161 WeakPolarHBondContact CA-O 3.48Å; R24-H161 WeakPolarHBondContact CB-O 3.47Å; Y25-H161 HydrophobicContact CD1-CB 4.08Å; Y25-H161 WeakPolarHBondContact CD1-O 3.47Å; Y25-H161 HydrophobicContact CE1-CB 3.62Å; Y25-H161 HydrophobicContact CE2-CB 4.47Å; Y25-H161 PolarHBondContact N-O 2.76Å; Y25-H161 PolarHBondContact O-N 3.43Å; R159-H161 PolarHBondContact O-CD2 3.43Å; R159-H161 PolarHBondContact O-N 3.38Å; R159-H161 PolarHBondContact O-NE2 3.24Å
162P82.7Confident67.4Low76 Ų7681.4 Ų81.449%0.49445%0.453SS..EExtended strand (participates in β ladder)trans-72.8135.2177.728.7-33.3000112.7
163V81.2Confident67.1Low5 Ų582.9 Ų82.93%0.0344%0.442CS..SBendtrans-74.1-41.7175.7176.60000110.9R14 A17 R18 A22 V23 Y25R14-V163 PolarHBondContact NE-O 2.81Å; R14-V163 PolarHBondContact NH2-O 3.26Å; A17-V163 HydrophobicContact CB-CG2 3.89Å; R18-V163 HydrophobicContact CB-CG1 3.54Å; R18-V163 HydrophobicContact CG-CG1 3.74Å; A22-V163 HydrophobicContact CB-CG2 4.45Å; A22-V163 WeakPolarHBondContact O-CB 3.41Å; A22-V163 WeakPolarHBondContact O-CG2 3.46Å; V23-V163 PolarHBondContact O-N 3.49Å; Y25-V163 HydrophobicContact CD1-CG2 3.82Å
164S69.9Low66.9Low69 Ų6977.6 Ų77.648%0.48342%0.423SS..SBendtrans-81.3127.8174.881.30000110.9G166S164-G166 PolarHBondContact O-N 2.85Å
165R57.4Low66.7Low156 Ų15678.9 Ų78.959%0.58943%0.433SS*.  trans-73.6108.7158.2-93.4161.8174.3-158.412.4103.8R14 Q168R14-R165 VanDerWaalsContact NH2-CG 3.32Å; R14-R165 VanDerWaalsContact NH2-N 3.14Å; R165-Q168 HydrophobicContact CB-CG 4.09Å; R165-Q168 VanDerWaalsContact CD-CD 3.46Å; R165-Q168 VanDerWaalsContact CD-NE2 3.32Å; R165-Q168 HydrophobicContact CG-CG 4.41Å
166G52Low66.6Low49 Ų4981.3 Ų81.351%0.50544%0.442SS..  trans-46.5149.8168.200000109.5S164 Q168S164-G166 PolarHBondContact O-N 2.85Å; G166-Q168 PolarHBondContact O-N 2.75Å
167P46.4Very low66.6Low94 Ų9481.3 Ų81.361%0.6144%0.435SS*.  trans-43.5101.1-157.118.3-32.1000111.3L169 I170P167-L169 PolarHBondContact O-N 3.31Å; P167-L169 VanDerWaalsContact O-N 3.07Å; P167-I170 PolarHBondContact O-N 3.36Å
168Q45.5Very low66.6Low87 Ų8779.7 Ų79.741%0.40743%0.43SS..THydrogen-bonded Turntrans-71.84.4175.2-84.2-168.3-18.200112R165 G166 I170 P171 V172R165-Q168 HydrophobicContact CB-CG 4.09Å; R165-Q168 VanDerWaalsContact CD-CD 3.46Å; R165-Q168 VanDerWaalsContact CD-NE2 3.32Å; R165-Q168 HydrophobicContact CG-CG 4.41Å; G166-Q168 PolarHBondContact O-N 2.75Å; Q168-I170 PolarHBondContact O-N 3.5Å; Q168-P171 HydrophobicContact CB-CG 4.04Å; Q168-P171 HydrophobicContact CG-CG 3.98Å; Q168-P171 VanDerWaalsContact O-CD 3.26Å; Q168-P171 WeakPolarHBondContact O-CD 3.13Å; Q168-P171 WeakPolarHBondContact O-CG 3.37Å; Q168-V172 WeakPolarHBondContact O-CG2 3.49Å; Q168-V172 PolarHBondContact O-N 3.38Å
169L46Very low66.6Low127 Ų12784.8 Ų84.867%0.66546%0.457SS*.Hα-helixtrans-59.1-28.9160.6-73.4168.6000111P167 L173P167-L169 PolarHBondContact O-N 3.31Å; P167-L169 VanDerWaalsContact O-N 3.07Å; L169-L173 WeakPolarHBondContact O-CA 3.45Å; L169-L173 WeakPolarHBondContact O-CB 3.38Å; L169-L173 PolarHBondContact O-N 3.39Å
170I50.4Low66.7Low109 Ų10980.7 Ų80.756%0.55945%0.453SS*.Hα-helixtrans-65.1-52.2176.9-62.9178.9000111.5P167 Q168 L174P167-I170 PolarHBondContact O-N 3.36Å; Q168-I170 PolarHBondContact O-N 3.5Å; I170-L174 HydrophobicContact CG2-CD1 3.56Å; I170-L174 WeakPolarHBondContact O-CA 3.21Å; I170-L174 WeakPolarHBondContact O-CB 3.42Å; I170-L174 WeakPolarHBondContact O-CD1 3.46Å; I170-L174 PolarHBondContact O-N 2.77Å
171P51.8Low66.6Low56 Ų5684.7 Ų84.736%0.36448%0.477SS..Hα-helixtrans-68.6-32.5174.722-31.5000114.1Q168 I175Q168-P171 HydrophobicContact CB-CG 4.04Å; Q168-P171 HydrophobicContact CG-CG 3.98Å; Q168-P171 VanDerWaalsContact O-CD 3.26Å; Q168-P171 WeakPolarHBondContact O-CD 3.13Å; Q168-P171 WeakPolarHBondContact O-CG 3.37Å; P171-I175 WeakPolarHBondContact O-CB 3.49Å; P171-I175 VanDerWaalsContact O-CD1 3.26Å; P171-I175 WeakPolarHBondContact O-CD1 3.25Å; P171-I175 WeakPolarHBondContact O-CG1 3.46Å; P171-I175 PolarHBondContact O-N 2.8Å
172V54.2Low66.4Low78 Ų7884.1 Ų84.147%0.47349%0.485SS..Hα-helixtrans-76.3-39.1177.6177.10000111.9Q168 I175 L176Q168-V172 WeakPolarHBondContact O-CG2 3.49Å; Q168-V172 PolarHBondContact O-N 3.38Å; V172-I175 PolarHBondContact O-N 2.79Å; V172-L176 HydrophobicContact CG1-CD1 4.18Å; V172-L176 WeakPolarHBondContact O-CB 3.43Å; V172-L176 WeakPolarHBondContact O-CG 3.24Å; V172-L176 PolarHBondContact O-N 2.91Å
173L61.1Low66.5Low107 Ų10787.9 Ų87.956%0.5649%0.489SS*.Hα-helixtrans-73-30.7172.8-146.299.3000110.7L169 T177L169-L173 WeakPolarHBondContact O-CA 3.45Å; L169-L173 WeakPolarHBondContact O-CB 3.38Å; L169-L173 PolarHBondContact O-N 3.39Å; L173-T177 VanDerWaalsContact O-CB 3.28Å; L173-T177 WeakPolarHBondContact O-CB 3.18Å; L173-T177 WeakPolarHBondContact O-CG2 3.18Å; L173-T177 PolarHBondContact O-N 3.02Å; L173-T177 PolarHBondContact O-OG1 2.82Å
174L65.8Low66.8Low86 Ų8695.2 Ų95.245%0.4552%0.518SS..Hα-helixtrans-66.6-41.4166.7-103.7136.2000111.3I170 T177 L178I170-L174 HydrophobicContact CG2-CD1 3.56Å; I170-L174 WeakPolarHBondContact O-CA 3.21Å; I170-L174 WeakPolarHBondContact O-CB 3.42Å; I170-L174 WeakPolarHBondContact O-CD1 3.46Å; I170-L174 PolarHBondContact O-N 2.77Å; L174-T177 VanDerWaalsContact CA-OG1 3.26Å; L174-T177 WeakPolarHBondContact CA-OG1 3.34Å; L174-T177 PolarHBondContact O-OG1 2.83Å; L174-L178 HydrophobicContact CD2-CD1 4.14Å; L174-L178 HydrophobicContact CD2-CG 4.46Å; L174-L178 WeakPolarHBondContact O-CA 3.34Å; L174-L178 WeakPolarHBondContact O-CB 3.31Å; L174-L178 WeakPolarHBondContact O-CD1 3.3Å; L174-L178 WeakPolarHBondContact O-CG 3.44Å; L174-L178 PolarHBondContact O-N 3.24Å
175I71.4Confident67.5Low96 Ų9693.5 Ų93.549%0.49251%0.511SS..Hα-helixtrans-67.6-41.5176.5-72.8161.6000109.7P171 V172 L178 L179P171-I175 WeakPolarHBondContact O-CB 3.49Å; P171-I175 VanDerWaalsContact O-CD1 3.26Å; P171-I175 WeakPolarHBondContact O-CD1 3.25Å; P171-I175 WeakPolarHBondContact O-CG1 3.46Å; P171-I175 PolarHBondContact O-N 2.8Å; V172-I175 PolarHBondContact O-N 2.79Å; I175-L178 PolarHBondContact O-N 2.95Å; I175-L179 HydrophobicContact CG2-CD1 3.84Å; I175-L179 HydrophobicContact CG2-CG 4.31Å; I175-L179 VanDerWaalsContact O-CB 3.24Å; I175-L179 WeakPolarHBondContact O-CB 3.03Å; I175-L179 WeakPolarHBondContact O-CG 3.3Å; I175-L179 PolarHBondContact O-N 3.28Å
176L74.7Confident68.7Low106 Ų10692.8 Ų92.856%0.55551%0.508SS*.Hα-helixtrans-69.5-37.4175.7-76.6168.4000112.6V172 G180V172-L176 HydrophobicContact CG1-CD1 4.18Å; V172-L176 WeakPolarHBondContact O-CB 3.43Å; V172-L176 WeakPolarHBondContact O-CG 3.24Å; V172-L176 PolarHBondContact O-N 2.91Å; L176-G180 PolarHBondContact O-N 3.33Å
177T77Confident70.2Confident75 Ų7593.8 Ų93.846%0.4650%0.5SS..Hα-helixtrans-72.2-34.3172.445.70000111.6L173 L174 G180 T181L173-T177 VanDerWaalsContact O-CB 3.28Å; L173-T177 WeakPolarHBondContact O-CB 3.18Å; L173-T177 WeakPolarHBondContact O-CG2 3.18Å; L173-T177 PolarHBondContact O-N 3.02Å; L173-T177 PolarHBondContact O-OG1 2.82Å; L174-T177 VanDerWaalsContact CA-OG1 3.26Å; L174-T177 WeakPolarHBondContact CA-OG1 3.34Å; L174-T177 PolarHBondContact O-OG1 2.83Å; T177-G180 PolarHBondContact O-N 2.96Å; T177-T181 WeakPolarHBondContact O-CB 3.19Å; T177-T181 WeakPolarHBondContact O-CG2 3.29Å; T177-T181 PolarHBondContact O-N 2.81Å; T177-T181 PolarHBondContact O-OG1 2.81Å
178L79.6Confident72Confident101 Ų10195.8 Ų95.853%0.52950%0.496SS..Hα-helixtrans-68.9-40172.5-78.1165.4000111.7L174 I175 T181 A182L174-L178 HydrophobicContact CD2-CD1 4.14Å; L174-L178 HydrophobicContact CD2-CG 4.46Å; L174-L178 WeakPolarHBondContact O-CA 3.34Å; L174-L178 WeakPolarHBondContact O-CB 3.31Å; L174-L178 WeakPolarHBondContact O-CD1 3.3Å; L174-L178 WeakPolarHBondContact O-CG 3.44Å; L174-L178 PolarHBondContact O-N 3.24Å; I175-L178 PolarHBondContact O-N 2.95Å; L178-T181 WeakPolarHBondContact CA-OG1 3.06Å; L178-T181 PolarHBondContact O-OG1 2.96Å; L178-A182 WeakPolarHBondContact O-CA 3.36Å; L178-A182 WeakPolarHBondContact O-CB 3.4Å; L178-A182 PolarHBondContact O-N 2.54Å
179L81.8Confident73.8Confident106 Ų10698.5 Ų98.556%0.55550%0.504SS*.Hα-helixtrans-67.5-38.4172.6-75.4170.5000110.8I175 W183I175-L179 HydrophobicContact CG2-CD1 3.84Å; I175-L179 HydrophobicContact CG2-CG 4.31Å; I175-L179 VanDerWaalsContact O-CB 3.24Å; I175-L179 WeakPolarHBondContact O-CB 3.03Å; I175-L179 WeakPolarHBondContact O-CG 3.3Å; I175-L179 PolarHBondContact O-N 3.28Å; L179-W183 WeakPolarHBondContact O-CB 3.26Å; L179-W183 PolarHBondContact O-N 3.35Å
180G83.6Confident75.5Confident36 Ų3696.5 Ų96.537%0.37149%0.491SS..Hα-helixtrans-67.7-41.9174.800000113.1L176 T177 W183 Y184L176-G180 PolarHBondContact O-N 3.33Å; T177-G180 PolarHBondContact O-N 2.96Å; G180-W183 PolarHBondContact O-N 2.85Å; G180-Y184 VanDerWaalsContact O-CB 3.23Å; G180-Y184 WeakPolarHBondContact O-CB 3.4Å; G180-Y184 PolarHBondContact O-N 3.32Å
181T82.5Confident77.1Confident88 Ų8899.3 Ų99.354%0.5450%0.495SS..Hα-helixtrans-73.7-32174.957.80000111.7T177 L178 G185T177-T181 WeakPolarHBondContact O-CB 3.19Å; T177-T181 WeakPolarHBondContact O-CG2 3.29Å; T177-T181 PolarHBondContact O-N 2.81Å; T177-T181 PolarHBondContact O-OG1 2.81Å; L178-T181 WeakPolarHBondContact CA-OG1 3.06Å; L178-T181 PolarHBondContact O-OG1 2.96Å; T181-G185 WeakPolarHBondContact O-CA 3.12Å; T181-G185 PolarHBondContact O-N 3.38Å
182A79.7Confident78.6Confident60 Ų6098.9 Ų98.950%0.49649%0.489SS..Hα-helixtrans-69.1-41.3171.100000111.4L178 G185 W186L178-A182 WeakPolarHBondContact O-CA 3.36Å; L178-A182 WeakPolarHBondContact O-CB 3.4Å; L178-A182 PolarHBondContact O-N 2.54Å; A182-G185 CarbonylContact O-C 3.57Å; A182-G185 PolarHBondContact O-N 2.82Å; A182-W186 VanDerWaalsContact O-CB 3.26Å; A182-W186 WeakPolarHBondContact O-CB 3.4Å; A182-W186 PolarHBondContact O-N 2.88Å
183W85.8Confident79.8Confident154 Ų154101 Ų10158%0.58349%0.492SS*.Hα-helixtrans-68.1-44.4175.5-179.381.3000111.8L179 G180 G185 W186 Q187L179-W183 WeakPolarHBondContact O-CB 3.26Å; L179-W183 PolarHBondContact O-N 3.35Å; G180-W183 PolarHBondContact O-N 2.85Å; W183-G185 VanDerWaalsContact C-N 3.33Å; W183-W186 PolarHBondContact O-N 2.88Å; W183-Q187 HydrophobicContact CD2-CG 4.33Å; W183-Q187 HydrophobicContact CH2-CG 4.29Å; W183-Q187 HydrophobicContact CZ2-CG 4Å; W183-Q187 WeakPolarHBondContact O-CB 3.25Å; W183-Q187 PolarHBondContact O-N 3.48Å
184Y87Confident80.8Confident159 Ų15998.7 Ų98.762%0.62449%0.488SS*.Hα-helixtrans-64.3-38.9173-172.5-93.4000111.4G180 Q187 Y188G180-Y184 VanDerWaalsContact O-CB 3.23Å; G180-Y184 WeakPolarHBondContact O-CB 3.4Å; G180-Y184 PolarHBondContact O-N 3.32Å; Y184-Q187 PolarHBondContact O-N 2.92Å; Y184-Y188 WeakPolarHBondContact O-CB 3.41Å; Y184-Y188 PolarHBondContact O-N 3.46Å
185G83.8Confident81.6Confident33 Ų33100.7 Ų100.734%0.3450%0.495SS..Hα-helixtrans-65.1-37.317400000112.6T181 A182 W183 Y189T181-G185 WeakPolarHBondContact O-CA 3.12Å; T181-G185 PolarHBondContact O-N 3.38Å; A182-G185 CarbonylContact O-C 3.57Å; A182-G185 PolarHBondContact O-N 2.82Å; W183-G185 VanDerWaalsContact C-N 3.33Å; G185-Y189 WeakPolarHBondContact O-CB 3.18Å; G185-Y189 PolarHBondContact O-N 3.21Å
186W82.6Confident81.9Confident142 Ų142102.5 Ų102.554%0.53850%0.5SS..Hα-helixtrans-69.9-44.3174.3-179.664.3000111.7A182 W183 Y188 Y189 E190A182-W186 VanDerWaalsContact O-CB 3.26Å; A182-W186 WeakPolarHBondContact O-CB 3.4Å; A182-W186 PolarHBondContact O-N 2.88Å; W183-W186 PolarHBondContact O-N 2.88Å; W186-Y188 PolarHBondContact O-N 3.41Å; W186-Y189 PolarHBondContact O-N 3.49Å; W186-E190 HydrophobicContact CZ2-CG 4.34Å; W186-E190 WeakPolarHBondContact O-CB 3.35Å; W186-E190 WeakPolarHBondContact O-CG 3.37Å; W186-E190 PolarHBondContact O-N 3.08Å
187Q83.7Confident82Confident70 Ų70100.2 Ų100.233%0.32750%0.496SS..Hα-helixtrans-60.7-42.1171.6-82.2-84.4-30.300112.2W183 Y184 R191W183-Q187 HydrophobicContact CD2-CG 4.33Å; W183-Q187 HydrophobicContact CH2-CG 4.29Å; W183-Q187 HydrophobicContact CZ2-CG 4Å; W183-Q187 WeakPolarHBondContact O-CB 3.25Å; W183-Q187 PolarHBondContact O-N 3.48Å; Y184-Q187 PolarHBondContact O-N 2.92Å; Q187-R191 WeakPolarHBondContact O-CG 3.24Å; Q187-R191 PolarHBondContact O-N 3.11Å
188Y84.2Confident82.1Confident136 Ų13699.3 Ų99.353%0.53350%0.496SS..Hα-helixtrans-66.2-40.4174.7-177.8-99.2000111.3Y184 W186 R191 L192Y184-Y188 WeakPolarHBondContact O-CB 3.41Å; Y184-Y188 PolarHBondContact O-N 3.46Å; W186-Y188 PolarHBondContact O-N 3.41Å; Y188-R191 PolarHBondContact O-N 3.38Å; Y188-L192 HydrophobicContact CD1-CD1 4.35Å; Y188-L192 HydrophobicContact CE1-CD1 3.48Å; Y188-L192 VanDerWaalsContact CE1-CD1 3.48Å; Y188-L192 WeakPolarHBondContact O-CB 3.32Å; Y188-L192 PolarHBondContact O-N 2.89Å
189Y82.6Confident82Confident143 Ų143100.2 Ų100.256%0.56150%0.501SS*.Hα-helixtrans-65.2-42.8175.6179.1-97.5000112G185 W186 L192 K193G185-Y189 WeakPolarHBondContact O-CB 3.18Å; G185-Y189 PolarHBondContact O-N 3.21Å; W186-Y189 PolarHBondContact O-N 3.49Å; Y189-L192 PolarHBondContact O-N 2.77Å; Y189-K193 HydrophobicContact CE1-CD 4.34Å; Y189-K193 WeakPolarHBondContact O-CB 3.44Å; Y189-K193 PolarHBondContact O-N 2.93Å
190E82.5Confident81.5Confident86 Ų8698 Ų9840%0.40250%0.498SS..Hα-helixtrans-59.6-46.5172.6-82.2-78135.800111.1W186 L192 K193 A194W186-E190 HydrophobicContact CZ2-CG 4.34Å; W186-E190 WeakPolarHBondContact O-CB 3.35Å; W186-E190 WeakPolarHBondContact O-CG 3.37Å; W186-E190 PolarHBondContact O-N 3.08Å; E190-L192 PolarHBondContact O-N 3.45Å; E190-K193 PolarHBondContact O-N 3.29Å; E190-A194 WeakPolarHBondContact O-CB 3.22Å; E190-A194 PolarHBondContact O-N 3.3Å
191R84.8Confident81.1Confident168 Ų168101.1 Ų101.163%0.63450%0.503SS*.Hα-helixtrans-61.5-43.7173.9-75.5-177.8-174.1-172.30.9112.5Q187 Y188 K193 A194 E195Q187-R191 WeakPolarHBondContact O-CG 3.24Å; Q187-R191 PolarHBondContact O-N 3.11Å; Y188-R191 PolarHBondContact O-N 3.38Å; R191-K193 VanDerWaalsContact C-N 3.34Å; R191-A194 CarbonylContact O-C 3.55Å; R191-A194 PolarHBondContact O-N 2.84Å; R191-E195 WeakPolarHBondContact O-CB 3.18Å; R191-E195 WeakPolarHBondContact O-CG 3.15Å; R191-E195 PolarHBondContact O-N 3.29Å
192L82.3Confident80.8Confident47 Ų4799.7 Ų99.725%0.24650%0.499CS..Hα-helixtrans-71.5-30.8-179.2-161138.4000111.6Y188 Y189 E190 K196Y188-L192 HydrophobicContact CD1-CD1 4.35Å; Y188-L192 HydrophobicContact CE1-CD1 3.48Å; Y188-L192 VanDerWaalsContact CE1-CD1 3.48Å; Y188-L192 WeakPolarHBondContact O-CB 3.32Å; Y188-L192 PolarHBondContact O-N 2.89Å; Y189-L192 PolarHBondContact O-N 2.77Å; E190-L192 PolarHBondContact O-N 3.45Å; L192-K196 HydrophobicContact CD2-CD 3.9Å; L192-K196 HydrophobicContact CD2-CG 4.37Å; L192-K196 VanDerWaalsContact O-CB 3.24Å; L192-K196 WeakPolarHBondContact O-CB 3.4Å; L192-K196 VanDerWaalsContact O-CG 3.25Å; L192-K196 WeakPolarHBondContact O-CG 3.24Å; L192-K196 PolarHBondContact O-N 3.41Å
193K79.3Confident80.4Confident121 Ų12199.6 Ų99.653%0.52650%0.499SS..Hα-helixtrans-68.4-42.3170.1-174.5-177.8176.2-169.60110.6Y189 E190 R191 A197Y189-K193 HydrophobicContact CE1-CD 4.34Å; Y189-K193 WeakPolarHBondContact O-CB 3.44Å; Y189-K193 PolarHBondContact O-N 2.93Å; E190-K193 PolarHBondContact O-N 3.29Å; R191-K193 VanDerWaalsContact C-N 3.34Å; K193-A197 VanDerWaalsContact O-CB 3.24Å; K193-A197 WeakPolarHBondContact O-CB 3.45Å; K193-A197 PolarHBondContact O-N 3.15Å
194A82.1Confident79.5Confident60 Ų6097 Ų9750%0.49649%0.493SS..Hα-helixtrans-66.2-43.7174.400000112.3E190 R191 A197 A198E190-A194 WeakPolarHBondContact O-CB 3.22Å; E190-A194 PolarHBondContact O-N 3.3Å; R191-A194 CarbonylContact O-C 3.55Å; R191-A194 PolarHBondContact O-N 2.84Å; A194-A197 PolarHBondContact O-N 2.75Å; A194-A198 WeakPolarHBondContact O-CB 2.99Å; A194-A198 PolarHBondContact O-N 2.82Å
195E82.4Confident78.8Confident127 Ų12794.2 Ų94.259%0.59348%0.484SS*.Hα-helixtrans-63.8-42.4174.4-79.8-179.8173.100111.8R191 A198 L199R191-E195 WeakPolarHBondContact O-CB 3.18Å; R191-E195 WeakPolarHBondContact O-CG 3.15Å; R191-E195 PolarHBondContact O-N 3.29Å; E195-A198 PolarHBondContact O-N 2.82Å; E195-L199 WeakPolarHBondContact O-CB 3.36Å; E195-L199 WeakPolarHBondContact O-CG 3.26Å; E195-L199 PolarHBondContact O-N 3.47Å
196K78.7Confident78.3Confident135 Ų13594.4 Ų94.459%0.58748%0.483SS*.Hα-helixtrans-66.3-38174.2-79.1-176.7174.9-177.70112.5L192 L199 A200L192-K196 HydrophobicContact CD2-CD 3.9Å; L192-K196 HydrophobicContact CD2-CG 4.37Å; L192-K196 VanDerWaalsContact O-CB 3.24Å; L192-K196 WeakPolarHBondContact O-CB 3.4Å; L192-K196 VanDerWaalsContact O-CG 3.25Å; L192-K196 WeakPolarHBondContact O-CG 3.24Å; L192-K196 PolarHBondContact O-N 3.41Å; K196-L199 PolarHBondContact O-N 2.8Å; K196-A200 VanDerWaalsContact O-CB 3.24Å; K196-A200 WeakPolarHBondContact O-CB 3.15Å; K196-A200 PolarHBondContact O-N 2.86Å
197A76.4Confident77.6Confident58 Ų5888.5 Ų88.548%0.47946%0.464SS..Hα-helixtrans-65.2-42.9174.100000111K193 A194 A200 E201K193-A197 VanDerWaalsContact O-CB 3.24Å; K193-A197 WeakPolarHBondContact O-CB 3.45Å; K193-A197 PolarHBondContact O-N 3.15Å; A194-A197 PolarHBondContact O-N 2.75Å; A197-A200 PolarHBondContact O-N 3.47Å; A197-E201 WeakPolarHBondContact O-CB 3.47Å; A197-E201 PolarHBondContact O-N 3.38Å
198A78.9Confident76.8Confident55 Ų5587.6 Ų87.646%0.45546%0.46SS..Hα-helixtrans-65.2-39.5175.100000112.4A194 E195 A202A194-A198 WeakPolarHBondContact O-CB 2.99Å; A194-A198 PolarHBondContact O-N 2.82Å; E195-A198 PolarHBondContact O-N 2.82Å; A198-A202 VanDerWaalsContact O-CB 3.22Å; A198-A202 WeakPolarHBondContact O-CB 3.47Å; A198-A202 PolarHBondContact O-N 2.9Å
199L77.9Confident76Confident121 Ų12189.1 Ų89.163%0.63447%0.472SS*.Hα-helixtrans-66.3-40172.7-83.6162.2000111.9E195 K196 A202 A203E195-L199 WeakPolarHBondContact O-CB 3.36Å; E195-L199 WeakPolarHBondContact O-CG 3.26Å; E195-L199 PolarHBondContact O-N 3.47Å; K196-L199 PolarHBondContact O-N 2.8Å; L199-A202 PolarHBondContact O-N 2.96Å; L199-A203 WeakPolarHBondContact O-CB 3.26Å; L199-A203 PolarHBondContact O-N 3.1Å
200A71.7Confident75.4Confident59 Ų5992 Ų9249%0.48848%0.482SS..Hα-helixtrans-67.2-40.7176.100000111.4K196 A197 A203 Q204K196-A200 VanDerWaalsContact O-CB 3.24Å; K196-A200 WeakPolarHBondContact O-CB 3.15Å; K196-A200 PolarHBondContact O-N 2.86Å; A197-A200 PolarHBondContact O-N 3.47Å; A200-A203 PolarHBondContact O-N 2.79Å; A200-Q204 VanDerWaalsContact O-CB 3.27Å; A200-Q204 WeakPolarHBondContact O-CB 3.5Å; A200-Q204 PolarHBondContact O-N 2.86Å
201E74.4Confident74.7Confident102 Ų10289.1 Ų89.148%0.47747%0.469SS..Hα-helixtrans-66.9-41.4174.6-165.1-165.5145.900111.4A197 Q204 K205A197-E201 WeakPolarHBondContact O-CB 3.47Å; A197-E201 PolarHBondContact O-N 3.38Å; E201-Q204 PolarHBondContact O-N 2.85Å; E201-K205 WeakPolarHBondContact O-CB 3.37Å; E201-K205 PolarHBondContact O-N 3.38Å; E201-K205 IonicContact OE1-NZ 3.35Å; E201-K205 PolarHBondContact OE1-NZ 3.19Å
202A76Confident74.1Confident57 Ų5786.1 Ų86.147%0.47147%0.469SS..Hα-helixtrans-65.8-39174.700000112A198 L199 A206A198-A202 VanDerWaalsContact O-CB 3.22Å; A198-A202 WeakPolarHBondContact O-CB 3.47Å; A198-A202 PolarHBondContact O-N 2.9Å; L199-A202 PolarHBondContact O-N 2.96Å; A202-A206 VanDerWaalsContact O-CB 3.26Å; A202-A206 WeakPolarHBondContact O-CB 3.3Å; A202-A206 PolarHBondContact O-N 2.79Å
203A70.8Confident73.6Confident58 Ų5884.4 Ų84.448%0.47946%0.461SS..Hα-helixtrans-67-41.6174.300000111.3L199 A200 A206 A207L199-A203 WeakPolarHBondContact O-CB 3.26Å; L199-A203 PolarHBondContact O-N 3.1Å; A200-A203 PolarHBondContact O-N 2.79Å; A203-A206 PolarHBondContact O-N 3.07Å; A203-A207 WeakPolarHBondContact O-CB 3.27Å; A203-A207 PolarHBondContact O-N 3.08Å
204Q67.8Low73.3Confident101 Ų10180.1 Ų80.147%0.47245%0.446SS..Hα-helixtrans-62.3-48174.7-175-178.2-18.900110.8A200 E201 A206 A207 E208A200-Q204 VanDerWaalsContact O-CB 3.27Å; A200-Q204 WeakPolarHBondContact O-CB 3.5Å; A200-Q204 PolarHBondContact O-N 2.86Å; E201-Q204 PolarHBondContact O-N 2.85Å; Q204-A206 PolarHBondContact O-N 3.32Å; Q204-A207 PolarHBondContact O-N 3.06Å; Q204-E208 HydrophobicContact CG-CG 4.39Å; Q204-E208 WeakPolarHBondContact CG-OE1 3.39Å; Q204-E208 PolarHBondContact NE2-OE1 3.44Å; Q204-E208 WeakPolarHBondContact O-CB 3.32Å; Q204-E208 VanDerWaalsContact O-CG 3.3Å; Q204-E208 WeakPolarHBondContact O-CG 3.49Å; Q204-E208 PolarHBondContact O-N 3.1Å
205K71.4Confident73Confident99 Ų9977.7 Ų77.743%0.4342%0.424SS..Hα-helixtrans-58.3-47174.1-85.1172.7173.61520112.1E201 A207 E208 E209E201-K205 WeakPolarHBondContact O-CB 3.37Å; E201-K205 PolarHBondContact O-N 3.38Å; E201-K205 IonicContact OE1-NZ 3.35Å; E201-K205 PolarHBondContact OE1-NZ 3.19Å; K205-A207 VanDerWaalsContact C-N 3.25Å; K205-A207 PolarHBondContact O-N 2.98Å; K205-E208 PolarHBondContact O-N 2.78Å; K205-E209 WeakPolarHBondContact O-CB 3.2Å; K205-E209 WeakPolarHBondContact O-CG 3.37Å; K205-E209 PolarHBondContact O-N 2.8Å
206A73.5Confident72.7Confident38 Ų3874.2 Ų74.231%0.31441%0.409SS..Hα-helixtrans-65.8-29.1178.200000112.8A202 A203 Q204 R210A202-A206 VanDerWaalsContact O-CB 3.26Å; A202-A206 WeakPolarHBondContact O-CB 3.3Å; A202-A206 PolarHBondContact O-N 2.79Å; A203-A206 PolarHBondContact O-N 3.07Å; Q204-A206 PolarHBondContact O-N 3.32Å; A206-R210 WeakPolarHBondContact O-CG 3.4Å
207A69Low72.7Confident18 Ų1870.9 Ų70.915%0.14940%0.403CS..Hα-helixtrans-79.3-41176.100000111.8A203 Q204 K205 E209 R210 I211 I353A203-A207 WeakPolarHBondContact O-CB 3.27Å; A203-A207 PolarHBondContact O-N 3.08Å; Q204-A207 PolarHBondContact O-N 3.06Å; K205-A207 VanDerWaalsContact C-N 3.25Å; K205-A207 PolarHBondContact O-N 2.98Å; A207-E209 VanDerWaalsContact C-N 3.28Å; A207-E209 PolarHBondContact O-N 3.08Å; A207-R210 PolarHBondContact O-N 3.04Å; A207-I211 PolarHBondContact O-N 2.82Å; A207-I353 HydrophobicContact CB-CD1 3.49Å; A207-I353 VanDerWaalsContact CB-CD1 3.49Å; A207-I353 HydrophobicContact CB-CG1 4.16Å
208E66Low73.1Confident50 Ų5069.8 Ų69.823%0.23439%0.388CS..Hα-helixtrans-56.5-42.2170.7-75.2172.9-169.800111.1Q204 K205 R210 I211 I353Q204-E208 HydrophobicContact CG-CG 4.39Å; Q204-E208 WeakPolarHBondContact CG-OE1 3.39Å; Q204-E208 PolarHBondContact NE2-OE1 3.44Å; Q204-E208 WeakPolarHBondContact O-CB 3.32Å; Q204-E208 VanDerWaalsContact O-CG 3.3Å; Q204-E208 WeakPolarHBondContact O-CG 3.49Å; Q204-E208 PolarHBondContact O-N 3.1Å; K205-E208 PolarHBondContact O-N 2.78Å; E208-R210 PolarHBondContact O-N 3.17Å; E208-I211 PolarHBondContact O-N 3.47Å; E208-I353 HydrophobicContact CG-CG2 3.86Å
209E68.1Low73.5Confident169 Ų16967.2 Ų67.279%0.7937%0.367SS*.THydrogen-bonded Turntrans-64.8-20.9176.1-77.2176.8-178.900114.2K205 A207K205-E209 WeakPolarHBondContact O-CB 3.2Å; K205-E209 WeakPolarHBondContact O-CG 3.37Å; K205-E209 PolarHBondContact O-N 2.8Å; A207-E209 VanDerWaalsContact C-N 3.28Å; A207-E209 PolarHBondContact O-N 3.08Å
210R68.8Low73.9Confident203 Ų20365.1 Ų65.177%0.76635%0.354SS*.THydrogen-bonded Turntrans-85.8-18.9176.7-71.3174.3-167.7-179.44.7113.2A206 A207 E208 T212A206-R210 WeakPolarHBondContact O-CG 3.4Å; A207-R210 PolarHBondContact O-N 3.04Å; E208-R210 PolarHBondContact O-N 3.17Å; R210-T212 PolarHBondContact O-N 3.27Å; R210-T212 VanDerWaalsContact O-N 3.16Å
211I68.4Low74.6Confident26 Ų2662.6 Ų62.613%0.13333%0.332CS..  trans-74.9111.4-178.4-56.4171.6000107.7A207 E208 P213 F345 I353 P355 W357A207-I211 PolarHBondContact O-N 2.82Å; E208-I211 PolarHBondContact O-N 3.47Å; I211-P213 WeakPolarHBondContact O-CD 3.5Å; I211-F345 HydrophobicContact CD1-CB 4.32Å; I211-F345 HydrophobicContact CD1-CD2 3.73Å; I211-F345 HydrophobicContact CD1-CE2 4.42Å; I211-F345 HydrophobicContact CD1-CG 4.21Å; I211-F345 HydrophobicContact CG1-CD2 4.46Å; I211-F345 HydrophobicContact CG2-CD2 3.9Å; I211-F345 HydrophobicContact CG2-CE1 4.46Å; I211-F345 HydrophobicContact CG2-CE2 3.61Å; I211-F345 HydrophobicContact CG2-CG 4.45Å; I211-F345 HydrophobicContact CG2-CZ 3.92Å; I211-I353 HydrophobicContact CD1-CB 4.11Å; I211-I353 HydrophobicContact CD1-CG2 3.51Å; I211-P355 HydrophobicContact CD1-CB 4.38Å; I211-W357 HydrophobicContact CB-CH2 4.16Å; I211-W357 HydrophobicContact CG2-CH2 3.56Å; I211-W357 HydrophobicContact CG2-CZ2 3.89Å
212T71.9Confident75.2Confident104 Ų10458.5 Ų58.564%0.63832%0.318SS*.  trans-80.8122.2175.4-49.60000108.7R210 L216R210-T212 PolarHBondContact O-N 3.27Å; R210-T212 VanDerWaalsContact O-N 3.16Å; T212-L216 HydrophobicContact CG2-CD1 3.91Å
213P71.8Confident75.8Confident12 Ų1257.2 Ų57.28%0.07830%0.303CS..  trans-59.5132-178.9-14.215.7000113.1I211 W215 L216 V312 W357I211-P213 WeakPolarHBondContact O-CD 3.5Å; P213-W215 HydrophobicContact CB-CD2 3.51Å; P213-W215 HydrophobicContact CB-CE3 3.57Å; P213-W215 HydrophobicContact CB-CG 4.39Å; P213-W215 HydrophobicContact CB-CH2 3.41Å; P213-W215 VanDerWaalsContact CB-CH2 3.41Å; P213-W215 HydrophobicContact CB-CZ2 3.3Å; P213-W215 HydrophobicContact CB-CZ3 3.51Å; P213-W215 HydrophobicContact CG-CH2 4.06Å; P213-W215 HydrophobicContact CG-CZ2 3.75Å; P213-W215 PolarHBondContact O-N 2.95Å; P213-W215 VanDerWaalsContact O-N 3.16Å; P213-L216 HydrophobicContact CB-CD1 4.31Å; P213-L216 HydrophobicContact CB-CG 4.17Å; P213-L216 HydrophobicContact CG-CD1 3.86Å; P213-L216 HydrophobicContact CG-CG 4.18Å; P213-L216 WeakPolarHBondContact O-CB 3.48Å; P213-L216 PolarHBondContact O-N 2.82Å; P213-L216 VanDerWaalsContact O-N 3.07Å; P213-V312 HydrophobicContact CB-CG2 4.32Å; P213-V312 HydrophobicContact CG-CG2 3.41Å; P213-V312 VanDerWaalsContact CG-CG2 3.41Å; P213-W357 VanDerWaalsContact CA-CH2 3.46Å; P213-W357 HydrophobicContact CB-CE3 4.32Å; P213-W357 HydrophobicContact CB-CH2 3.73Å; P213-W357 HydrophobicContact CB-CZ2 3.94Å; P213-W357 HydrophobicContact CB-CZ3 3.93Å; P213-W357 HydrophobicContact CG-CE3 4.2Å; P213-W357 HydrophobicContact CG-CH2 3.73Å; P213-W357 HydrophobicContact CG-CZ2 4.44Å; P213-W357 HydrophobicContact CG-CZ3 3.59Å
214P73.6Confident76.7Confident31 Ų3154.5 Ų54.520%0.20128%0.28CS..G310 helixtrans-60.9-31.6-172.718.4-28.3000112.8L216 S217 M218 E359 M403P214-L216 PolarHBondContact O-N 3.32Å; P214-S217 PolarHBondContact O-N 3.21Å; P214-S217 PolarHBondContact O-OG 3.27Å; P214-M218 HydrophobicContact CB-CE 4.36Å; P214-E359 WeakPolarHBondContact CG-OE1 3.25Å; P214-M403 HydrophobicContact CB-CE 3.8Å; P214-M403 HydrophobicContact CB-SD 4.13Å; P214-M403 HydrophobicContact CG-CE 3.63Å; P214-M403 HydrophobicContact CG-SD 3.66Å
215W76.2Confident77.7Confident9 Ų949.7 Ų49.73%0.03426%0.258CS..G310 helixtrans-65.5-21.2179.463.187.5000114.1P213 S217 M218 V310 V312 L315 W357 R383 M403 A405P213-W215 HydrophobicContact CB-CD2 3.51Å; P213-W215 HydrophobicContact CB-CE3 3.57Å; P213-W215 HydrophobicContact CB-CG 4.39Å; P213-W215 HydrophobicContact CB-CH2 3.41Å; P213-W215 VanDerWaalsContact CB-CH2 3.41Å; P213-W215 HydrophobicContact CB-CZ2 3.3Å; P213-W215 HydrophobicContact CB-CZ3 3.51Å; P213-W215 HydrophobicContact CG-CH2 4.06Å; P213-W215 HydrophobicContact CG-CZ2 3.75Å; P213-W215 PolarHBondContact O-N 2.95Å; P213-W215 VanDerWaalsContact O-N 3.16Å; W215-S217 PolarHBondContact O-N 3.41Å; W215-M218 PolarHBondContact O-N 3.37Å; W215-M218 VanDerWaalsContact O-N 3.16Å; W215-V310 PolarHBondContact NE1-O 3.36Å; W215-V312 HydrophobicContact CH2-CG1 4.33Å; W215-V312 HydrophobicContact CH2-CG2 3.94Å; W215-V312 HydrophobicContact CZ2-CB 4.08Å; W215-V312 HydrophobicContact CZ2-CG1 4.27Å; W215-V312 HydrophobicContact CZ2-CG2 3.44Å; W215-V312 VanDerWaalsContact CZ2-CG2 3.44Å; W215-L315 HydrophobicContact CH2-CD1 3.87Å; W215-L315 HydrophobicContact CZ2-CD1 3.66Å; W215-W357 HydrophobicContact CH2-CB 3.74Å; W215-W357 AromaticContact CH2-CD1 3.85Å; W215-W357 AromaticContact CH2-CD2 3.31Å; W215-W357 HydrophobicContact CH2-CD2 3.31Å; W215-W357 AromaticContact CH2-CE2 3.86Å; W215-W357 AromaticContact CH2-CE3 3.63Å; W215-W357 HydrophobicContact CH2-CE3 3.63Å; W215-W357 AromaticContact CH2-CG 3.35Å; W215-W357 HydrophobicContact CH2-CG 3.35Å; W215-W357 HydrophobicContact CH2-CZ3 4.41Å; W215-W357 HydrophobicContact CZ3-CB 4.15Å; W215-W357 AromaticContact CZ3-CD1 3.38Å; W215-W357 AromaticContact CZ3-CD2 3.48Å; W215-W357 HydrophobicContact CZ3-CD2 3.48Å; W215-W357 VanDerWaalsContact CZ3-CD2 3.48Å; W215-W357 AromaticContact CZ3-CE2 3.54Å; W215-W357 HydrophobicContact CZ3-CE3 4.21Å; W215-W357 AromaticContact CZ3-CG 3.41Å; W215-W357 HydrophobicContact CZ3-CG 3.41Å; W215-W357 VanDerWaalsContact CZ3-CG 3.41Å; W215-W357 HydrophobicContact CZ3-CZ2 4.32Å; W215-W357 AromaticContact CZ3-NE1 3.44Å; W215-R383 HydrophobicContact CB-CG 3.7Å; W215-M403 HydrophobicContact CB-CE 3.84Å; W215-M403 HydrophobicContact CE3-CE 4.27Å; W215-A405 HydrophobicContact CD2-CB 4.01Å; W215-A405 HydrophobicContact CE3-CB 3.43Å; W215-A405 VanDerWaalsContact CE3-CB 3.43Å; W215-A405 HydrophobicContact CH2-CB 3.6Å; W215-A405 HydrophobicContact CZ2-CB 4.19Å; W215-A405 HydrophobicContact CZ3-CB 3.2Å
216L75.9Confident78.5Confident53 Ų5351.7 Ų51.728%0.27726%0.263SS..G310 helixtrans-65-24.9174.4-63.2179.1000111.5T212 P213 P214 P309 V310T212-L216 HydrophobicContact CG2-CD1 3.91Å; P213-L216 HydrophobicContact CB-CD1 4.31Å; P213-L216 HydrophobicContact CB-CG 4.17Å; P213-L216 HydrophobicContact CG-CD1 3.86Å; P213-L216 HydrophobicContact CG-CG 4.18Å; P213-L216 WeakPolarHBondContact O-CB 3.48Å; P213-L216 PolarHBondContact O-N 2.82Å; P213-L216 VanDerWaalsContact O-N 3.07Å; P214-L216 PolarHBondContact O-N 3.32Å; L216-P309 HydrophobicContact CD2-CB 3.64Å; L216-P309 HydrophobicContact CD2-CG 3.99Å; L216-V310 WeakPolarHBondContact CD2-O 2.94Å
217S78.7Confident79.3Confident66 Ų6650.3 Ų50.346%0.46225%0.252SS..G310 helixtrans-99.712.317765.70000113.2P214 W215 G253 M305P214-S217 PolarHBondContact O-N 3.21Å; P214-S217 PolarHBondContact O-OG 3.27Å; W215-S217 PolarHBondContact O-N 3.41Å; S217-G253 VanDerWaalsContact O-CA 3.27Å; S217-G253 WeakPolarHBondContact O-CA 3.23Å; S217-M305 WeakPolarHBondContact O-CE 3.42Å
218M84.1Confident80.3Confident35 Ų3549.5 Ų49.517%0.17225%0.245CC..SBendtrans-110.7144.8177.8-65.8-179.5-178.100111.8P214 W215 R383 I385 M403P214-M218 HydrophobicContact CB-CE 4.36Å; W215-M218 PolarHBondContact O-N 3.37Å; W215-M218 VanDerWaalsContact O-N 3.16Å; M218-R383 HydrophobicContact CB-CB 4.04Å; M218-R383 HydrophobicContact CB-CG 4.03Å; M218-R383 HydrophobicContact SD-CB 3.78Å; M218-R383 HydrophobicContact SD-CG 4.45Å; M218-I385 HydrophobicContact CE-CG1 4.38Å; M218-I385 HydrophobicContact SD-CG1 4.48Å; M218-M403 HydrophobicContact CE-CE 3.67Å; M218-M403 HydrophobicContact CE-SD 4.2Å; M218-M403 HydrophobicContact SD-CE 3.61Å
219P87.8Confident81.4Confident1 Ų148.7 Ų48.71%0.00625%0.245CC..  trans-63.2149.517327.7-34.6000110.7D223 F224 A251 F303 M305 R383P219-D223 HydrophobicContact CB-CB 4.35Å; P219-F224 HydrophobicContact CB-CB 4.35Å; P219-F224 HydrophobicContact CG-CB 3.97Å; P219-F224 HydrophobicContact CG-CD2 4.06Å; P219-F224 HydrophobicContact CG-CG 4.45Å; P219-A251 HydrophobicContact CG-CB 4.09Å; P219-F303 HydrophobicContact CB-CB 3.67Å; P219-F303 HydrophobicContact CB-CG 4.28Å; P219-F303 HydrophobicContact CG-CB 3.85Å; P219-F303 HydrophobicContact CG-CD1 4.46Å; P219-F303 HydrophobicContact CG-CD2 4.28Å; P219-F303 HydrophobicContact CG-CG 3.96Å; P219-M305 HydrophobicContact CB-SD 4.44Å; P219-R383 WeakPolarHBondContact O-CD 3.29Å
220E86.2Confident82.3Confident76 Ų7645.6 Ų45.636%0.35523%0.234SC..  trans-62.8153.7172.5-66.3-168.1163.700111G222 D223 F224 P306E220-G222 PolarHBondContact O-N 3.37Å; E220-G222 VanDerWaalsContact O-N 3.09Å; E220-D223 PolarHBondContact O-N 2.82Å; E220-F224 PolarHBondContact O-N 3.23Å; E220-P306 HydrophobicContact CG-CB 4Å; E220-P306 HydrophobicContact CG-CG 4.12Å
221T86.1Confident83.3Confident6 Ų636.2 Ų36.24%0.03720%0.199CC..Hα-helixtrans-45.9-44.7-179-71.20000113.2I225 F377 V382 F384T221-I225 HydrophobicContact CG2-CD1 4.09Å; T221-I225 WeakPolarHBondContact O-CB 3.02Å; T221-I225 WeakPolarHBondContact O-CG1 3.44Å; T221-I225 PolarHBondContact O-N 2.95Å; T221-I225 VanDerWaalsContact O-N 3.12Å; T221-F377 HydrophobicContact CG2-CB 4.45Å; T221-F377 HydrophobicContact CG2-CD1 3.91Å; T221-F377 VanDerWaalsContact CG2-O 3.3Å; T221-F377 WeakPolarHBondContact CG2-O 3.12Å; T221-V382 PolarHBondContact OG1-O 2.69Å; T221-F384 HydrophobicContact CG2-CD2 3.53Å; T221-F384 HydrophobicContact CG2-CE2 3.32Å
222G86.4Confident84.3Confident17 Ų1735.3 Ų35.318%0.17519%0.194CC..Hα-helixtrans-66-45.1178.600000113.5E220 I225 R226E220-G222 PolarHBondContact O-N 3.37Å; E220-G222 VanDerWaalsContact O-N 3.09Å; G222-I225 PolarHBondContact O-N 3.26Å; G222-R226 WeakPolarHBondContact O-CB 3.3Å; G222-R226 VanDerWaalsContact O-CG 3.29Å; G222-R226 WeakPolarHBondContact O-CG 3.27Å; G222-R226 PolarHBondContact O-N 3.19Å
223D88.5Confident85Confident30 Ų3034.9 Ų34.916%0.1620%0.195CC..Hα-helixtrans-68.9-39.3-179.8-72.9-49.6000112.5P219 E220 R226 G227P219-D223 HydrophobicContact CB-CB 4.35Å; E220-D223 PolarHBondContact O-N 2.82Å; D223-R226 VanDerWaalsContact CG-NH2 3.28Å; D223-R226 PolarHBondContact O-N 3.02Å; D223-R226 IonicContact OD1-CZ 3.68Å; D223-R226 IonicContact OD1-NE 3.77Å; D223-R226 PolarHBondContact OD1-NE 3.23Å; D223-R226 IonicContact OD1-NH2 2.65Å; D223-R226 PolarHBondContact OD1-NH2 3.11Å; D223-R226 IonicContact OD2-NH2 3.44Å; D223-G227 PolarHBondContact O-N 3.09Å
224F90.5Very high85.8Confident0 Ų041.6 Ų41.60%022%0.219CC..Hα-helixtrans-57.8-53.1173.7179-111.1000111.3P219 E220 R226 G227 C228 A251 F303 F384 V387P219-F224 HydrophobicContact CB-CB 4.35Å; P219-F224 HydrophobicContact CG-CB 3.97Å; P219-F224 HydrophobicContact CG-CD2 4.06Å; P219-F224 HydrophobicContact CG-CG 4.45Å; E220-F224 PolarHBondContact O-N 3.23Å; F224-R226 PolarHBondContact O-N 3.34Å; F224-G227 PolarHBondContact O-N 3.41Å; F224-C228 PolarHBondContact O-N 3.38Å; F224-C228 PolarHBondContact O-SG 2.86Å; F224-C228 VanDerWaalsContact O-SG 3.36Å; F224-A251 HydrophobicContact CD2-CB 3.62Å; F224-A251 HydrophobicContact CE2-CB 3.45Å; F224-A251 VanDerWaalsContact CE2-CB 3.45Å; F224-F303 HydrophobicContact CD2-CD1 4.04Å; F224-F303 AromaticContact CD2-CE1 3.54Å; F224-F303 HydrophobicContact CD2-CE1 3.54Å; F224-F303 HydrophobicContact CD2-CE2 4.33Å; F224-F303 AromaticContact CD2-CZ 3.71Å; F224-F303 HydrophobicContact CD2-CZ 3.71Å; F224-F303 AromaticContact CE2-CE1 3.95Å; F224-F303 HydrophobicContact CE2-CE1 3.95Å; F224-F303 HydrophobicContact CE2-CE2 4.4Å; F224-F303 AromaticContact CE2-CZ 3.7Å; F224-F303 HydrophobicContact CE2-CZ 3.7Å; F224-F303 HydrophobicContact CG-CE1 4.4Å; F224-F303 WeakPolarHBondContact O-CE1 3.18Å; F224-F384 HydrophobicContact CD1-CB 3.28Å; F224-F384 HydrophobicContact CD1-CD2 4.45Å; F224-F384 HydrophobicContact CD1-CG 4.25Å; F224-F384 HydrophobicContact CE1-CB 3.38Å; F224-F384 HydrophobicContact CE1-CG 4.43Å; F224-F384 HydrophobicContact CG-CB 4.19Å; F224-F384 HydrophobicContact CZ-CB 4.43Å; F224-V387 HydrophobicContact CD1-CG2 4.17Å; F224-V387 HydrophobicContact CE1-CG2 3.35Å; F224-V387 HydrophobicContact CZ-CG2 4.1Å
225I88.9Confident86.6Confident1 Ų140.7 Ų40.71%0.00521%0.213CC..Hα-helixtrans-65-40-178.5-69.9172.9000111.3T221 G222 C228 S229 A370 A374 F384 F400T221-I225 HydrophobicContact CG2-CD1 4.09Å; T221-I225 WeakPolarHBondContact O-CB 3.02Å; T221-I225 WeakPolarHBondContact O-CG1 3.44Å; T221-I225 PolarHBondContact O-N 2.95Å; T221-I225 VanDerWaalsContact O-N 3.12Å; G222-I225 PolarHBondContact O-N 3.26Å; I225-C228 PolarHBondContact O-N 3.11Å; I225-S229 WeakPolarHBondContact O-CB 3.38Å; I225-S229 PolarHBondContact O-N 3.45Å; I225-A370 VanDerWaalsContact CG2-C 3.49Å; I225-A370 HydrophobicContact CG2-CB 3.72Å; I225-A370 WeakPolarHBondContact CG2-O 3.47Å; I225-A374 HydrophobicContact CB-CB 3.89Å; I225-A374 HydrophobicContact CD1-CB 3.63Å; I225-A374 HydrophobicContact CG1-CB 4.33Å; I225-A374 HydrophobicContact CG2-CB 3.77Å; I225-F384 HydrophobicContact CD1-CD2 3.94Å; I225-F384 HydrophobicContact CD1-CE2 3.81Å; I225-F384 HydrophobicContact CG1-CD2 4.32Å; I225-F400 HydrophobicContact CD1-CD1 4.43Å; I225-F400 HydrophobicContact CD1-CE1 3.85Å; I225-F400 HydrophobicContact CG1-CE1 4.15Å
226R88.2Confident87.3Confident141 Ų14142.2 Ų42.253%0.53222%0.224SC..Hα-helixtrans-58.4-51.1174.8-79.5-174-71.3-99.47.3111.4G222 D223 F224 C228 S229 D230G222-R226 WeakPolarHBondContact O-CB 3.3Å; G222-R226 VanDerWaalsContact O-CG 3.29Å; G222-R226 WeakPolarHBondContact O-CG 3.27Å; G222-R226 PolarHBondContact O-N 3.19Å; D223-R226 VanDerWaalsContact CG-NH2 3.28Å; D223-R226 PolarHBondContact O-N 3.02Å; D223-R226 IonicContact OD1-CZ 3.68Å; D223-R226 IonicContact OD1-NE 3.77Å; D223-R226 PolarHBondContact OD1-NE 3.23Å; D223-R226 IonicContact OD1-NH2 2.65Å; D223-R226 PolarHBondContact OD1-NH2 3.11Å; D223-R226 IonicContact OD2-NH2 3.44Å; F224-R226 PolarHBondContact O-N 3.34Å; R226-C228 VanDerWaalsContact C-N 3.33Å; R226-C228 PolarHBondContact O-N 2.93Å; R226-S229 PolarHBondContact O-N 3.3Å; R226-S229 VanDerWaalsContact O-N 3.12Å; R226-D230 PolarHBondContact O-N 3.09Å
227G89.5Confident88Confident9 Ų943.4 Ų43.49%0.09323%0.233CC..Hα-helixtrans-57.3-44.2178.600000112.6D223 F224 V301D223-G227 PolarHBondContact O-N 3.09Å; F224-G227 PolarHBondContact O-N 3.41Å; G227-V301 WeakPolarHBondContact O-CG1 3.05Å
228C91.7Very high88.5Confident0 Ų043.4 Ų43.40%023%0.233CC..Hα-helixtrans-65.7-42.1175.5-65.30000112.7F224 I225 R226 D230 V231 W232 C249F224-C228 PolarHBondContact O-N 3.38Å; F224-C228 PolarHBondContact O-SG 2.86Å; F224-C228 VanDerWaalsContact O-SG 3.36Å; I225-C228 PolarHBondContact O-N 3.11Å; R226-C228 VanDerWaalsContact C-N 3.33Å; R226-C228 PolarHBondContact O-N 2.93Å; C228-D230 PolarHBondContact O-N 2.95Å; C228-V231 PolarHBondContact O-N 3.2Å; C228-W232 HydrophobicContact CB-CD2 4.48Å; C228-W232 HydrophobicContact CB-CE3 4.09Å; C228-W232 HydrophobicContact CB-CH2 3.78Å; C228-W232 HydrophobicContact CB-CZ2 4.23Å; C228-W232 HydrophobicContact CB-CZ3 3.71Å; C228-W232 WeakPolarHBondContact O-CB 2.98Å; C228-W232 PolarHBondContact O-N 3.07Å; C228-C249 WeakPolarHBondContact CA-SG 3.42Å; C228-C249 HydrophobicContact CB-CB 3.62Å; C228-C249 WeakPolarHBondContact CB-SG 3.39Å; C228-C249 WeakPolarHBondContact SG-CB 3.34Å; C228-C249 CovalentContact SG-SG 2.04Å; C228-C249 PolarHBondContact SG-SG 3.3Å
229S89Confident88.8Confident34 Ų3441.9 Ų41.924%0.23823%0.225CC..Hα-helixtrans-62.6-39.6179.9-171.20000112.9I225 R226 V231 W232 S233I225-S229 WeakPolarHBondContact O-CB 3.38Å; I225-S229 PolarHBondContact O-N 3.45Å; R226-S229 PolarHBondContact O-N 3.3Å; R226-S229 VanDerWaalsContact O-N 3.12Å; S229-V231 VanDerWaalsContact C-N 3.26Å; S229-V231 PolarHBondContact O-N 2.99Å; S229-W232 PolarHBondContact O-N 3.16Å; S229-S233 WeakPolarHBondContact O-CB 3.36Å; S229-S233 PolarHBondContact O-N 2.92Å; S229-S233 PolarHBondContact O-OG 3.45Å
230D86.7Confident88.8Confident104 Ų10443.7 Ų43.756%0.55624%0.24SC*.Hα-helixtrans-64.8-29.5178.7-72.5-11.1000113R226 C228 S233 R234R226-D230 PolarHBondContact O-N 3.09Å; C228-D230 PolarHBondContact O-N 2.95Å; D230-S233 PolarHBondContact O-OG 3.16Å; D230-S233 VanDerWaalsContact O-OG 3.1Å; D230-R234 PolarHBondContact O-NE 3.44Å
231V89.8Confident88.7Confident5 Ų541 Ų413%0.0323%0.234CC..Hα-helixtrans-85.5-41.8175.4-173.70000110.9C228 S229 S233 R234 L258 L299 V301C228-V231 PolarHBondContact O-N 3.2Å; S229-V231 VanDerWaalsContact C-N 3.26Å; S229-V231 PolarHBondContact O-N 2.99Å; V231-S233 VanDerWaalsContact C-N 3.3Å; V231-S233 PolarHBondContact O-N 3.15Å; V231-R234 PolarHBondContact O-N 2.73Å; V231-R234 VanDerWaalsContact O-N 3.13Å; V231-L258 HydrophobicContact CB-CD1 3.62Å; V231-L258 HydrophobicContact CG1-CB 4.06Å; V231-L258 HydrophobicContact CG1-CD1 3.69Å; V231-L258 HydrophobicContact CG1-CD2 4.46Å; V231-L258 HydrophobicContact CG1-CG 4.29Å; V231-L299 HydrophobicContact CG1-CB 3.79Å; V231-L299 HydrophobicContact CG1-CD1 3.6Å; V231-L299 HydrophobicContact CG1-CG 4.35Å; V231-V301 HydrophobicContact CB-CG2 4.38Å; V231-V301 HydrophobicContact CG2-CB 4.4Å; V231-V301 HydrophobicContact CG2-CG1 4.19Å; V231-V301 HydrophobicContact CG2-CG2 3.75Å
232W89.2Confident89Confident8 Ų840.8 Ų40.83%0.0323%0.232CC..Hα-helixtrans-60.7-34.6177.7-84.7-32.1000114.4C228 S229 R234 L235 C249 L258 A370 V387 R389 Y398C228-W232 HydrophobicContact CB-CD2 4.48Å; C228-W232 HydrophobicContact CB-CE3 4.09Å; C228-W232 HydrophobicContact CB-CH2 3.78Å; C228-W232 HydrophobicContact CB-CZ2 4.23Å; C228-W232 HydrophobicContact CB-CZ3 3.71Å; C228-W232 WeakPolarHBondContact O-CB 2.98Å; C228-W232 PolarHBondContact O-N 3.07Å; S229-W232 PolarHBondContact O-N 3.16Å; W232-R234 PolarHBondContact O-N 3.46Å; W232-L235 PolarHBondContact O-N 3.01Å; W232-C249 HydrophobicContact CH2-CB 4.48Å; W232-C249 HydrophobicContact CZ2-CB 3.89Å; W232-L258 VanDerWaalsContact CD1-CD1 3.42Å; W232-L258 HydrophobicContact CD2-CD1 4.33Å; W232-L258 HydrophobicContact CG-CD1 3.91Å; W232-A370 HydrophobicContact CH2-CB 4.46Å; W232-A370 HydrophobicContact CZ3-CB 3.78Å; W232-V387 HydrophobicContact CH2-CB 3.58Å; W232-V387 HydrophobicContact CH2-CG1 3.57Å; W232-V387 HydrophobicContact CH2-CG2 4.24Å; W232-V387 HydrophobicContact CZ2-CB 4.03Å; W232-V387 HydrophobicContact CZ2-CG1 4.15Å; W232-R389 HydrophobicContact CZ2-CB 4.04Å; W232-Y398 HydrophobicContact CZ3-CE1 4.35Å
233S85.5Confident89.2Confident94 Ų9446.3 Ų46.366%0.65725%0.248SC*.THydrogen-bonded Turntrans-64.5-22.8178.263.40000112.7S229 D230 V231S229-S233 WeakPolarHBondContact O-CB 3.36Å; S229-S233 PolarHBondContact O-N 2.92Å; S229-S233 PolarHBondContact O-OG 3.45Å; D230-S233 PolarHBondContact O-OG 3.16Å; D230-S233 VanDerWaalsContact O-OG 3.1Å; V231-S233 VanDerWaalsContact C-N 3.3Å; V231-S233 PolarHBondContact O-N 3.15Å
234R88.7Confident89.4Confident153 Ų15345 Ų4558%0.57724%0.24SC*.THydrogen-bonded Turntrans-89-9.6177.6-64.7-178.9-78.4162.2-2.3113.6D230 V231 W232 P236D230-R234 PolarHBondContact O-NE 3.44Å; V231-R234 PolarHBondContact O-N 2.73Å; V231-R234 VanDerWaalsContact O-N 3.13Å; W232-R234 PolarHBondContact O-N 3.46Å; R234-P236 WeakPolarHBondContact O-CD 3.45Å
235L91.6Very high89.4Confident13 Ų1346.7 Ų46.77%0.06825%0.253CS..  trans-81.5117.9179.9-66-177000111.1W232 Y244 A247 L258 A260 F281 F297 L299W232-L235 PolarHBondContact O-N 3.01Å; L235-Y244 HydrophobicContact CD1-CE2 3.94Å; L235-A247 HydrophobicContact CD1-CB 3.96Å; L235-L258 HydrophobicContact CD1-CD2 3.7Å; L235-A260 HydrophobicContact CD1-CB 3.73Å; L235-A260 HydrophobicContact CD2-CB 4.1Å; L235-F281 HydrophobicContact CD2-CE1 4.38Å; L235-F281 HydrophobicContact CD2-CZ 3.95Å; L235-F297 HydrophobicContact CD2-CE2 3.55Å; L235-F297 HydrophobicContact CD2-CZ 3.71Å; L235-L299 HydrophobicContact CD2-CD1 3.81Å
236P90.9Very high89.6Confident41 Ų4149.3 Ų49.327%0.26627%0.266SS..  trans-72.3145175.931.6-36.6000110.8R234 S238 V239 Y262R234-P236 WeakPolarHBondContact O-CD 3.45Å; P236-S238 WeakPolarHBondContact CB-O 3.47Å; P236-S238 PolarHBondContact O-N 3.46Å; P236-V239 HydrophobicContact CB-CG2 4.5Å; P236-V239 HydrophobicContact CG-CG2 3.43Å; P236-V239 VanDerWaalsContact CG-CG2 3.43Å; P236-Y262 VanDerWaalsContact O-CE1 3.27Å; P236-Y262 WeakPolarHBondContact O-CE1 3.36Å; P236-Y262 PolarHBondContact O-OH 2.93Å
237V89.7Confident89.8Confident78 Ų7842.6 Ų42.647%0.47324%0.241SC..SBendtrans-66.4-22176.6-1780000111.8Y244 L391V237-Y244 WeakPolarHBondContact O-CB 3.38Å; V237-Y244 PolarHBondContact O-N 3.11Å; V237-L391 HydrophobicContact CG1-CD2 3.97Å
238S89.4Confident90Very high66 Ų6646 Ų4646%0.46225%0.254SS..EExtended strand (participates in β ladder)trans-139.4141.6171.1-177.70000112.8P236 W242P236-S238 WeakPolarHBondContact CB-O 3.47Å; P236-S238 PolarHBondContact O-N 3.46Å; S238-W242 CarbonylContact C-O 3.59Å; S238-W242 WeakPolarHBondContact CA-O 3.3Å; S238-W242 WeakPolarHBondContact CB-O 3.5Å; S238-W242 PolarHBondContact OG-O 3.42Å
239V90.1Very high90.1Very high2 Ų246 Ų461%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-127.3112.2174.4-178.40000108.6P236 G241 W242 Y262 F273 R276 V277P236-V239 HydrophobicContact CB-CG2 4.5Å; P236-V239 HydrophobicContact CG-CG2 3.43Å; P236-V239 VanDerWaalsContact CG-CG2 3.43Å; V239-G241 PolarHBondContact O-N 3.22Å; V239-G241 VanDerWaalsContact O-N 3.13Å; V239-W242 PolarHBondContact N-O 2.99Å; V239-W242 VanDerWaalsContact O-CB 3.28Å; V239-W242 WeakPolarHBondContact O-CB 3.38Å; V239-W242 PolarHBondContact O-N 2.99Å; V239-Y262 HydrophobicContact CB-CE1 4.4Å; V239-Y262 HydrophobicContact CG2-CD1 4.26Å; V239-Y262 HydrophobicContact CG2-CE1 3.69Å; V239-F273 HydrophobicContact CB-CD2 3.97Å; V239-F273 HydrophobicContact CB-CE2 3.89Å; V239-F273 HydrophobicContact CG1-CD2 3.86Å; V239-F273 HydrophobicContact CG1-CE2 4.04Å; V239-R276 HydrophobicContact CG1-CB 3.82Å; V239-R276 HydrophobicContact CG1-CG 3.7Å; V239-V277 HydrophobicContact CG1-CG2 3.94Å
240A87.8Confident90.3Very high39 Ų3945.9 Ų45.932%0.32226%0.256SS..THydrogen-bonded Turntrans4940.5177.800000114.1W242 T268 A272 R276A240-W242 VanDerWaalsContact C-N 3.34Å; A240-T268 VanDerWaalsContact O-CB 3.3Å; A240-T268 WeakPolarHBondContact O-CB 3.5Å; A240-T268 VanDerWaalsContact O-CG2 3.28Å; A240-T268 WeakPolarHBondContact O-CG2 3.3Å; A240-T268 PolarHBondContact O-OG1 2.92Å; A240-T268 VanDerWaalsContact O-OG1 3.05Å; A240-A272 HydrophobicContact CB-CB 4.36Å; A240-R276 HydrophobicContact CB-CB 3.96Å; A240-R276 HydrophobicContact CB-CG 4.29Å
241G85.3Confident90.3Very high21 Ų2141.7 Ų41.722%0.21624%0.235CC..THydrogen-bonded Turntrans86.9-6.8-179.500000115.5V239 I265 A266V239-G241 PolarHBondContact O-N 3.22Å; V239-G241 VanDerWaalsContact O-N 3.13Å; G241-I265 WeakPolarHBondContact O-CG1 3.2Å; G241-A266 WeakPolarHBondContact O-CB 3.29Å
242W91.4Very high90Very high0 Ų046.1 Ų46.10%026%0.263CS..EExtended strand (participates in β ladder)trans-82.4138.5169.2-68.755.5000109.8S238 V239 A240 Y262 T263 N264 T268 V270 F273 M287 G292 N293S238-W242 CarbonylContact C-O 3.59Å; S238-W242 WeakPolarHBondContact CA-O 3.3Å; S238-W242 WeakPolarHBondContact CB-O 3.5Å; S238-W242 PolarHBondContact OG-O 3.42Å; V239-W242 PolarHBondContact N-O 2.99Å; V239-W242 VanDerWaalsContact O-CB 3.28Å; V239-W242 WeakPolarHBondContact O-CB 3.38Å; V239-W242 PolarHBondContact O-N 2.99Å; A240-W242 VanDerWaalsContact C-N 3.34Å; W242-Y262 HydrophobicContact CB-CD1 4.48Å; W242-T263 CarbonylContact C-O 3.56Å; W242-T263 WeakPolarHBondContact CA-O 3.01Å; W242-N264 HydrophobicContact CD2-CB 3.86Å; W242-N264 HydrophobicContact CE3-CB 4.14Å; W242-N264 HydrophobicContact CG-CB 4.45Å; W242-N264 HydrophobicContact CH2-CB 3.8Å; W242-N264 HydrophobicContact CZ2-CB 3.55Å; W242-N264 HydrophobicContact CZ3-CB 4.1Å; W242-T268 PolarHBondContact NE1-OG1 2.92Å; W242-V270 HydrophobicContact CZ2-CG2 4.32Å; W242-F273 HydrophobicContact CB-CD2 3.68Å; W242-F273 HydrophobicContact CB-CE2 3.94Å; W242-F273 AromaticContact CD1-CD2 3.86Å; W242-F273 HydrophobicContact CD2-CB 4.15Å; W242-F273 HydrophobicContact CD2-CD1 4.35Å; W242-F273 AromaticContact CD2-CD2 3.82Å; W242-F273 HydrophobicContact CD2-CD2 3.82Å; W242-F273 HydrophobicContact CD2-CE2 4.29Å; W242-F273 AromaticContact CD2-CG 3.85Å; W242-F273 HydrophobicContact CD2-CG 3.85Å; W242-F273 HydrophobicContact CE3-CD2 4.33Å; W242-F273 HydrophobicContact CE3-CE2 4.39Å; W242-F273 HydrophobicContact CE3-CG 4.39Å; W242-F273 HydrophobicContact CE3-CZ 4.5Å; W242-F273 HydrophobicContact CG-CB 4.08Å; W242-F273 AromaticContact CG-CD2 3.48Å; W242-F273 HydrophobicContact CG-CD2 3.48Å; W242-F273 VanDerWaalsContact CG-CD2 3.48Å; W242-F273 HydrophobicContact CG-CE2 4.09Å; W242-F273 AromaticContact CG-CG 3.89Å; W242-F273 HydrophobicContact CG-CG 3.89Å; W242-M287 HydrophobicContact CH2-CE 3.17Å; W242-M287 HydrophobicContact CH2-SD 4.37Å; W242-M287 HydrophobicContact CZ2-CE 3.69Å; W242-M287 HydrophobicContact CZ3-CE 3.95Å; W242-G292 VanDerWaalsContact CH2-O 3.22Å; W242-G292 WeakPolarHBondContact CH2-O 3.32Å; W242-N293 VanDerWaalsContact CH2-C 3.5Å; W242-N293 VanDerWaalsContact CZ3-O 3.27Å; W242-N293 WeakPolarHBondContact CZ3-O 3.48Å
243R91.5Very high89.6Confident133 Ų13347 Ų4750%0.50227%0.273SS..EExtended strand (participates in β ladder)trans-102.6137.3-179.1-176.1177.566.5-177.83110.5S245 Y262 T263 I265R243-S245 PolarHBondContact O-N 2.93Å; R243-Y262 CarbonylContact O-C 3.4Å; R243-Y262 VanDerWaalsContact O-CA 3.24Å; R243-Y262 WeakPolarHBondContact O-CA 3.48Å; R243-T263 PolarHBondContact N-O 3.07Å; R243-T263 PolarHBondContact O-N 2.99Å; R243-I265 HydrophobicContact CB-CD1 3.63Å; R243-I265 HydrophobicContact CB-CG1 3.89Å; R243-I265 HydrophobicContact CB-CG2 4.26Å; R243-I265 HydrophobicContact CG-CD1 4.29Å
244Y92.6Very high89.6Confident2 Ų247.2 Ų47.21%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-55.7128.8171.8179-82.9000110.2L235 V237 A247 Y262 R389 L391 F396L235-Y244 HydrophobicContact CD1-CE2 3.94Å; V237-Y244 WeakPolarHBondContact O-CB 3.38Å; V237-Y244 PolarHBondContact O-N 3.11Å; Y244-A247 HydrophobicContact CE2-CB 3.71Å; Y244-A247 WeakPolarHBondContact OH-CB 3.26Å; Y244-A247 PolarHBondContact OH-N 2.73Å; Y244-Y262 HydrophobicContact CD2-CE1 4.39Å; Y244-Y262 HydrophobicContact CD2-CE2 4.36Å; Y244-Y262 AromaticContact CD2-CZ 3.98Å; Y244-Y262 VanDerWaalsContact N-CD1 3.35Å; Y244-R389 PolarHBondContact OH-NE 3.03Å; Y244-R389 PolarHBondContact OH-NH2 3.11Å; Y244-R389 PolarHBondContact OH-O 3Å; Y244-L391 HydrophobicContact CD1-CB 3.84Å; Y244-L391 HydrophobicContact CE1-CB 4.21Å; Y244-F396 HydrophobicContact CD1-CE1 4.05Å; Y244-F396 HydrophobicContact CE1-CD1 4.32Å; Y244-F396 AromaticContact CE1-CE1 3.74Å; Y244-F396 HydrophobicContact CE1-CE1 3.74Å
245S89.1Confident89.5Confident37 Ų3742.6 Ų42.626%0.25926%0.258SS..EExtended strand (participates in β ladder)trans-104.4-54.6174.452.30000110.9R243 S261 L391R243-S245 PolarHBondContact O-N 2.93Å; S245-S261 PolarHBondContact N-O 3.43Å; S245-S261 WeakPolarHBondContact OG-CB 3.47Å; S245-S261 PolarHBondContact OG-O 3.03Å; S245-L391 PolarHBondContact O-N 3.35Å; S245-L391 VanDerWaalsContact O-N 3.12Å
246L93.6Very high89.3Confident55 Ų5542.1 Ų42.129%0.28826%0.257SS..EExtended strand (participates in β ladder)trans-153.1145.4-167.7152.370.9000108.8S261 T388 R389L246-S261 PolarHBondContact O-N 3.01Å; L246-T388 HydrophobicContact CD1-CG2 3.23Å; L246-R389 CarbonylContact C-O 3.51Å; L246-R389 WeakPolarHBondContact CA-O 3.35Å
247A93.4Very high89.3Confident0 Ų044.7 Ų44.70%027%0.268CS..EExtended strand (participates in β ladder)trans-138.1132157.300000111.8L235 Y244 L258 R259 A260 R389L235-A247 HydrophobicContact CD1-CB 3.96Å; Y244-A247 HydrophobicContact CE2-CB 3.71Å; Y244-A247 WeakPolarHBondContact OH-CB 3.26Å; Y244-A247 PolarHBondContact OH-N 2.73Å; A247-L258 HydrophobicContact CB-CD2 3.77Å; A247-R259 CarbonylContact C-O 3.56Å; A247-R259 WeakPolarHBondContact CA-O 3.24Å; A247-A260 HydrophobicContact CB-CB 4Å; A247-R389 PolarHBondContact N-O 2.68Å; A247-R389 PolarHBondContact O-N 3.06Å
248E93.8Very high89.5Confident81 Ų8141 Ų4138%0.37925%0.246SC..EExtended strand (participates in β ladder)trans-107.6128.1177.7-178.7176.9-163.600109.1L258 R259 V387E248-L258 CarbonylContact O-C 3.59Å; E248-L258 VanDerWaalsContact O-CA 3.25Å; E248-L258 WeakPolarHBondContact O-CA 3.26Å; E248-R259 PolarHBondContact N-O 3.07Å; E248-R259 PolarHBondContact O-N 3.46Å; E248-V387 WeakPolarHBondContact CA-O 3.48Å
249C93.7Very high89.7Confident0 Ų044.2 Ų44.20%025%0.248CC..EExtended strand (participates in β ladder)trans-110.1123.4172.5-177.60000108.4C228 W232 L258 S386 V387C228-C249 WeakPolarHBondContact CA-SG 3.42Å; C228-C249 HydrophobicContact CB-CB 3.62Å; C228-C249 WeakPolarHBondContact CB-SG 3.39Å; C228-C249 WeakPolarHBondContact SG-CB 3.34Å; C228-C249 CovalentContact SG-SG 2.04Å; C228-C249 PolarHBondContact SG-SG 3.3Å; W232-C249 HydrophobicContact CH2-CB 4.48Å; W232-C249 HydrophobicContact CZ2-CB 3.89Å; C249-L258 HydrophobicContact CB-CB 4.4Å; C249-L258 HydrophobicContact CB-CD1 4.01Å; C249-L258 HydrophobicContact CB-CG 4.02Å; C249-S386 CarbonylContact O-C 3.22Å; C249-S386 WeakPolarHBondContact O-CA 3.43Å; C249-V387 PolarHBondContact N-O 3.01Å; C249-V387 PolarHBondContact O-N 3.37Å
250A92Very high89.9Confident32 Ų3244.1 Ų44.126%0.26425%0.247SC..EExtended strand (participates in β ladder)trans-127.2144.1179.900000111.3G256 N257 I385A250-G256 CarbonylContact O-C 3.57Å; A250-G256 WeakPolarHBondContact O-CA 3.36Å; A250-N257 PolarHBondContact N-O 3.42Å; A250-N257 PolarHBondContact O-N 3.46Å; A250-N257 VanDerWaalsContact O-N 3.14Å; A250-I385 WeakPolarHBondContact CA-O 3.28Å
251A87.2Confident90.1Very high15 Ų1543.5 Ų43.512%0.12424%0.241CC..EExtended strand (participates in β ladder)trans-101.9140.5176.200000112.4P219 F224 F303 I385P219-A251 HydrophobicContact CG-CB 4.09Å; F224-A251 HydrophobicContact CD2-CB 3.62Å; F224-A251 HydrophobicContact CE2-CB 3.45Å; F224-A251 VanDerWaalsContact CE2-CB 3.45Å; A251-F303 HydrophobicContact CB-CD2 3.91Å; A251-F303 HydrophobicContact CB-CE2 3.5Å; A251-F303 VanDerWaalsContact CB-CE2 3.5Å; A251-F303 HydrophobicContact CB-CZ 4.03Å; A251-I385 PolarHBondContact N-O 3.09Å
252T82.9Confident90.4Very high99 Ų9942.6 Ų42.661%0.60723%0.231SC*.EExtended strand (participates in β ladder)trans-13785.7170.749.40000107.4S255T252-S255 CarbonylContact C-O 3.45Å; T252-S255 VanDerWaalsContact C-O 3.24Å; T252-S255 WeakPolarHBondContact CA-O 3.46Å; T252-S255 PolarHBondContact N-O 3.3Å; T252-S255 PolarHBondContact O-N 2.83Å; T252-S255 PolarHBondContact O-OG 3.13Å; T252-S255 PolarHBondContact OG1-O 2.73Å
253G80.8Confident90.4Very high25 Ų2544.8 Ų44.826%0.25825%0.245SC..THydrogen-bonded Turntrans75.8-137.3-173.100000112.8S217 S255S217-G253 VanDerWaalsContact O-CA 3.27Å; S217-G253 WeakPolarHBondContact O-CA 3.23Å; G253-S255 PolarHBondContact O-N 3.21Å
254N85.6Confident90.3Very high100 Ų10039.7 Ų39.754%0.53523%0.227SC..THydrogen-bonded Turntrans-77.7-2.3173.366.9-7.3000113.8T302 F303 M305N254-T302 WeakPolarHBondContact O-CG2 3.36Å; N254-F303 PolarHBondContact O-N 2.9Å; N254-M305 HydrophobicContact CB-CG 3.72Å; N254-M305 HydrophobicContact CB-SD 4.17Å
255S87.3Confident89.8Confident55 Ų5544.3 Ų44.339%0.38525%0.251SS..EExtended strand (participates in β ladder)trans-122156.8-17971.60000110.2T252 G253 V301T252-S255 CarbonylContact C-O 3.45Å; T252-S255 VanDerWaalsContact C-O 3.24Å; T252-S255 WeakPolarHBondContact CA-O 3.46Å; T252-S255 PolarHBondContact N-O 3.3Å; T252-S255 PolarHBondContact O-N 2.83Å; T252-S255 PolarHBondContact O-OG 3.13Å; T252-S255 PolarHBondContact OG1-O 2.73Å; G253-S255 PolarHBondContact O-N 3.21Å; S255-V301 CarbonylContact C-O 3.59Å
256G86.4Confident89.1Confident3 Ų345.6 Ų45.63%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-157.7178.1174.200000111.2A250 V301A250-G256 CarbonylContact O-C 3.57Å; A250-G256 WeakPolarHBondContact O-CA 3.36Å; G256-V301 PolarHBondContact N-O 2.88Å; G256-V301 PolarHBondContact O-N 3.35Å
257N91.2Very high87.9Confident96 Ų9646.5 Ų46.551%0.51329%0.287SS..EExtended strand (participates in β ladder)trans-132.3137.4175.1-72.9-51.3000109.4A250 L299A250-N257 PolarHBondContact N-O 3.42Å; A250-N257 PolarHBondContact O-N 3.46Å; A250-N257 VanDerWaalsContact O-N 3.14Å; N257-L299 WeakPolarHBondContact CA-O 3.42Å
258L93.6Very high87.2Confident0 Ų048.4 Ų48.40%030%0.298CS..EExtended strand (participates in β ladder)trans-106.2107.5170.7-165.4157.5000108.6V231 W232 L235 A247 E248 C249 A260 A298 L299 V301V231-L258 HydrophobicContact CB-CD1 3.62Å; V231-L258 HydrophobicContact CG1-CB 4.06Å; V231-L258 HydrophobicContact CG1-CD1 3.69Å; V231-L258 HydrophobicContact CG1-CD2 4.46Å; V231-L258 HydrophobicContact CG1-CG 4.29Å; W232-L258 VanDerWaalsContact CD1-CD1 3.42Å; W232-L258 HydrophobicContact CD2-CD1 4.33Å; W232-L258 HydrophobicContact CG-CD1 3.91Å; L235-L258 HydrophobicContact CD1-CD2 3.7Å; A247-L258 HydrophobicContact CB-CD2 3.77Å; E248-L258 CarbonylContact O-C 3.59Å; E248-L258 VanDerWaalsContact O-CA 3.25Å; E248-L258 WeakPolarHBondContact O-CA 3.26Å; C249-L258 HydrophobicContact CB-CB 4.4Å; C249-L258 HydrophobicContact CB-CD1 4.01Å; C249-L258 HydrophobicContact CB-CG 4.02Å; L258-A260 HydrophobicContact CD2-CB 4.32Å; L258-A298 CarbonylContact O-C 3.57Å; L258-A298 WeakPolarHBondContact O-CA 3.33Å; L258-L299 PolarHBondContact N-O 2.99Å; L258-L299 PolarHBondContact O-N 3.35Å; L258-V301 HydrophobicContact CB-CG2 3.64Å
259R93.9Very high86.7Confident133 Ų13348.7 Ų48.750%0.50231%0.305SS..EExtended strand (participates in β ladder)trans-93.9111.3178.2-170.1177.1-173.8-179.4-0.6109.4A247 E248 F286A247-R259 CarbonylContact C-O 3.56Å; A247-R259 WeakPolarHBondContact CA-O 3.24Å; E248-R259 PolarHBondContact N-O 3.07Å; E248-R259 PolarHBondContact O-N 3.46Å; R259-F286 HydrophobicContact CG-CE1 3.94Å; R259-F286 HydrophobicContact CG-CZ 3.95Å
260A94.1Very high86.3Confident0 Ų051.3 Ų51.30%032%0.321CS..EExtended strand (participates in β ladder)trans-99.9132.1176.200000110.7L235 A247 L258 Y262 G296 F297L235-A260 HydrophobicContact CD1-CB 3.73Å; L235-A260 HydrophobicContact CD2-CB 4.1Å; A247-A260 HydrophobicContact CB-CB 4Å; L258-A260 HydrophobicContact CD2-CB 4.32Å; A260-Y262 HydrophobicContact CB-CE2 3.96Å; A260-G296 CarbonylContact O-C 3.51Å; A260-G296 WeakPolarHBondContact O-CA 3.4Å; A260-F297 HydrophobicContact CB-CD2 4.46Å; A260-F297 HydrophobicContact CB-CE2 4.1Å; A260-F297 HydrophobicContact CB-CZ 4.18Å; A260-F297 PolarHBondContact N-O 3.06Å; A260-F297 PolarHBondContact O-N 2.88Å
261S92.6Very high86Confident27 Ų2754.3 Ų54.319%0.18934%0.337CS..EExtended strand (participates in β ladder)trans-112.2140.6177.7-64.80000110.2S245 L246 G295S245-S261 PolarHBondContact N-O 3.43Å; S245-S261 WeakPolarHBondContact OG-CB 3.47Å; S245-S261 PolarHBondContact OG-O 3.03Å; L246-S261 PolarHBondContact O-N 3.01Å; S261-G295 CarbonylContact C-O 3.56Å; S261-G295 WeakPolarHBondContact CA-O 3.49Å
262Y92.7Very high86Confident1 Ų155.3 Ų55.30%0.00435%0.345CS..EExtended strand (participates in β ladder)trans-133.6148.2-180-71.9-102.7000109.4P236 V239 W242 R243 Y244 A260 F273 G295 F297P236-Y262 VanDerWaalsContact O-CE1 3.27Å; P236-Y262 WeakPolarHBondContact O-CE1 3.36Å; P236-Y262 PolarHBondContact O-OH 2.93Å; V239-Y262 HydrophobicContact CB-CE1 4.4Å; V239-Y262 HydrophobicContact CG2-CD1 4.26Å; V239-Y262 HydrophobicContact CG2-CE1 3.69Å; W242-Y262 HydrophobicContact CB-CD1 4.48Å; R243-Y262 CarbonylContact O-C 3.4Å; R243-Y262 VanDerWaalsContact O-CA 3.24Å; R243-Y262 WeakPolarHBondContact O-CA 3.48Å; Y244-Y262 HydrophobicContact CD2-CE1 4.39Å; Y244-Y262 HydrophobicContact CD2-CE2 4.36Å; Y244-Y262 AromaticContact CD2-CZ 3.98Å; Y244-Y262 VanDerWaalsContact N-CD1 3.35Å; A260-Y262 HydrophobicContact CB-CE2 3.96Å; Y262-F273 HydrophobicContact CD1-CE2 4.41Å; Y262-F273 HydrophobicContact CD2-CE2 4.3Å; Y262-F273 HydrophobicContact CD2-CZ 4.21Å; Y262-F273 AromaticContact CG-CE2 3.95Å; Y262-F273 HydrophobicContact CG-CE2 3.95Å; Y262-F273 HydrophobicContact CG-CZ 4.18Å; Y262-G295 PolarHBondContact N-O 2.63Å; Y262-G295 PolarHBondContact O-N 3.29Å; Y262-F297 AromaticContact CD2-CE1 3.92Å; Y262-F297 HydrophobicContact CD2-CE1 3.92Å; Y262-F297 HydrophobicContact CE2-CD1 4.41Å; Y262-F297 AromaticContact CE2-CE1 3.43Å; Y262-F297 HydrophobicContact CE2-CE1 3.43Å; Y262-F297 VanDerWaalsContact CE2-CE1 3.43Å; Y262-F297 AromaticContact CE2-CZ 3.71Å; Y262-F297 HydrophobicContact CE2-CZ 3.71Å
263T91Very high86.4Confident47 Ų4750.6 Ų50.629%0.28832%0.316SS..EExtended strand (participates in β ladder)trans-121.5136.3178.7-52.60000109.8W242 R243 I265 N293W242-T263 CarbonylContact C-O 3.56Å; W242-T263 WeakPolarHBondContact CA-O 3.01Å; R243-T263 PolarHBondContact N-O 3.07Å; R243-T263 PolarHBondContact O-N 2.99Å; T263-I265 PolarHBondContact O-N 2.77Å; T263-N293 CarbonylContact C-O 3.41Å; T263-N293 WeakPolarHBondContact CA-O 3.43Å
264N89Confident86.8Confident26 Ų2650.4 Ų50.414%0.13931%0.31CS..EExtended strand (participates in β ladder)trans-73109.5176.9-163.6-5.5000110.1W242 G267 T268 N293W242-N264 HydrophobicContact CD2-CB 3.86Å; W242-N264 HydrophobicContact CE3-CB 4.14Å; W242-N264 HydrophobicContact CG-CB 4.45Å; W242-N264 HydrophobicContact CH2-CB 3.8Å; W242-N264 HydrophobicContact CZ2-CB 3.55Å; W242-N264 HydrophobicContact CZ3-CB 4.1Å; N264-G267 PolarHBondContact OD1-N 3.33Å; N264-T268 PolarHBondContact ND2-O 2.7Å; N264-T268 PolarHBondContact OD1-N 3.3Å; N264-T268 VanDerWaalsContact OD1-N 3.09Å; N264-T268 PolarHBondContact OD1-OG1 2.98Å; N264-N293 PolarHBondContact N-O 2.83Å
265I82.5Confident87.1Confident99 Ų9950.7 Ų50.751%0.50831%0.308SS..  trans-107.5-17.8177.656.9161.8000113G241 R243 T263G241-I265 WeakPolarHBondContact O-CG1 3.2Å; R243-I265 HydrophobicContact CB-CD1 3.63Å; R243-I265 HydrophobicContact CB-CG1 3.89Å; R243-I265 HydrophobicContact CB-CG2 4.26Å; R243-I265 HydrophobicContact CG-CD1 4.29Å; T263-I265 PolarHBondContact O-N 2.77Å
266A73.4Confident87.3Confident64 Ų6453.7 Ų53.753%0.52931%0.312SS..SBendtrans-109.312.5-170.800000113.6G241 T268G241-A266 WeakPolarHBondContact O-CB 3.29Å; A266-T268 HydrophobicContact CB-CG2 4.04Å; A266-T268 PolarHBondContact O-N 3.5Å
267G69.6Low87.5Confident74 Ų7453.6 Ų53.676%0.76331%0.31SS*.  trans64.925.4-179.700000113.8N264N264-G267 PolarHBondContact OD1-N 3.33Å
268T77.4Confident87.6Confident39 Ų3955 Ų5524%0.23931%0.308CS..  trans-80.1158.1-177.358.30000111.8A240 W242 N264 A266A240-T268 VanDerWaalsContact O-CB 3.3Å; A240-T268 WeakPolarHBondContact O-CB 3.5Å; A240-T268 VanDerWaalsContact O-CG2 3.28Å; A240-T268 WeakPolarHBondContact O-CG2 3.3Å; A240-T268 PolarHBondContact O-OG1 2.92Å; A240-T268 VanDerWaalsContact O-OG1 3.05Å; W242-T268 PolarHBondContact NE1-OG1 2.92Å; N264-T268 PolarHBondContact ND2-O 2.7Å; N264-T268 PolarHBondContact OD1-N 3.3Å; N264-T268 VanDerWaalsContact OD1-N 3.09Å; N264-T268 PolarHBondContact OD1-OG1 2.98Å; A266-T268 HydrophobicContact CB-CG2 4.04Å; A266-T268 PolarHBondContact O-N 3.5Å
269T83.5Confident87.5Confident87 Ų8759.8 Ų59.853%0.53433%0.331SS..  trans-77144.4-177.564.70000111.6T271 A272 F273T269-T271 PolarHBondContact O-N 2.96Å; T269-A272 PolarHBondContact O-N 3.19Å; T269-A272 WeakPolarHBondContact OG1-CB 3.36Å; T269-A272 PolarHBondContact OG1-N 3.37Å; T269-F273 PolarHBondContact O-N 2.97Å
270V85Confident87.3Confident55 Ų5557 Ų5733%0.33333%0.325SS..Hα-helixtrans-53.5-34.5170.6175.30000111.2W242 S274 M287W242-V270 HydrophobicContact CZ2-CG2 4.32Å; V270-S274 WeakPolarHBondContact O-CB 3.42Å; V270-S274 PolarHBondContact O-N 3.42Å; V270-S274 PolarHBondContact O-OG 2.74Å; V270-M287 HydrophobicContact CB-CE 4.17Å; V270-M287 HydrophobicContact CG1-CE 3.64Å; V270-M287 HydrophobicContact CG1-CG 3.68Å; V270-M287 HydrophobicContact CG1-SD 3.78Å; V270-M287 HydrophobicContact CG2-CE 3.64Å
271T86.2Confident87.1Confident96 Ų9658.5 Ų58.559%0.58933%0.331SS*.Hα-helixtrans-62.2-44.5176.1-49.20000112.1T269 S274 Q275T269-T271 PolarHBondContact O-N 2.96Å; T271-S274 PolarHBondContact O-N 2.84Å; T271-Q275 WeakPolarHBondContact O-CB 3.38Å; T271-Q275 PolarHBondContact O-N 2.98Å
272A88.1Confident87Confident36 Ų3662.5 Ų62.530%0.29836%0.36SS..Hα-helixtrans-64.6-44.9178.800000111.7A240 T269 Q275 R276A240-A272 HydrophobicContact CB-CB 4.36Å; T269-A272 PolarHBondContact O-N 3.19Å; T269-A272 WeakPolarHBondContact OG1-CB 3.36Å; T269-A272 PolarHBondContact OG1-N 3.37Å; A272-Q275 PolarHBondContact O-N 2.86Å; A272-R276 WeakPolarHBondContact O-CB 3.01Å; A272-R276 PolarHBondContact O-N 2.71Å
273F90.4Very high86.8Confident0 Ų064.4 Ų64.40%037%0.37CS..Hα-helixtrans-59.5-48172.4178.4-107.1000111.4V239 W242 Y262 T269 Q275 R276 V277 P285 M287 F297V239-F273 HydrophobicContact CB-CD2 3.97Å; V239-F273 HydrophobicContact CB-CE2 3.89Å; V239-F273 HydrophobicContact CG1-CD2 3.86Å; V239-F273 HydrophobicContact CG1-CE2 4.04Å; W242-F273 HydrophobicContact CB-CD2 3.68Å; W242-F273 HydrophobicContact CB-CE2 3.94Å; W242-F273 AromaticContact CD1-CD2 3.86Å; W242-F273 HydrophobicContact CD2-CB 4.15Å; W242-F273 HydrophobicContact CD2-CD1 4.35Å; W242-F273 AromaticContact CD2-CD2 3.82Å; W242-F273 HydrophobicContact CD2-CD2 3.82Å; W242-F273 HydrophobicContact CD2-CE2 4.29Å; W242-F273 AromaticContact CD2-CG 3.85Å; W242-F273 HydrophobicContact CD2-CG 3.85Å; W242-F273 HydrophobicContact CE3-CD2 4.33Å; W242-F273 HydrophobicContact CE3-CE2 4.39Å; W242-F273 HydrophobicContact CE3-CG 4.39Å; W242-F273 HydrophobicContact CE3-CZ 4.5Å; W242-F273 HydrophobicContact CG-CB 4.08Å; W242-F273 AromaticContact CG-CD2 3.48Å; W242-F273 HydrophobicContact CG-CD2 3.48Å; W242-F273 VanDerWaalsContact CG-CD2 3.48Å; W242-F273 HydrophobicContact CG-CE2 4.09Å; W242-F273 AromaticContact CG-CG 3.89Å; W242-F273 HydrophobicContact CG-CG 3.89Å; Y262-F273 HydrophobicContact CD1-CE2 4.41Å; Y262-F273 HydrophobicContact CD2-CE2 4.3Å; Y262-F273 HydrophobicContact CD2-CZ 4.21Å; Y262-F273 AromaticContact CG-CE2 3.95Å; Y262-F273 HydrophobicContact CG-CE2 3.95Å; Y262-F273 HydrophobicContact CG-CZ 4.18Å; T269-F273 PolarHBondContact O-N 2.97Å; F273-Q275 VanDerWaalsContact C-N 3.33Å; F273-Q275 PolarHBondContact O-N 2.77Å; F273-R276 PolarHBondContact O-N 3.48Å; F273-V277 HydrophobicContact CD1-CG2 4.35Å; F273-V277 HydrophobicContact CD2-CG2 4.11Å; F273-V277 HydrophobicContact CE1-CG2 4.02Å; F273-V277 HydrophobicContact CE2-CG2 3.77Å; F273-V277 HydrophobicContact CG-CG2 4.39Å; F273-V277 HydrophobicContact CZ-CG2 3.72Å; F273-V277 WeakPolarHBondContact O-CG2 3.26Å; F273-V277 PolarHBondContact O-N 2.9Å; F273-P285 HydrophobicContact CD1-CB 4.36Å; F273-P285 HydrophobicContact CD1-CG 4.34Å; F273-P285 HydrophobicContact CE1-CB 3.79Å; F273-P285 HydrophobicContact CE1-CG 4.25Å; F273-M287 HydrophobicContact CD1-SD 4.01Å; F273-M287 HydrophobicContact CE1-SD 4.23Å; F273-F297 HydrophobicContact CZ-CD1 4.4Å
274S89.9Confident86.6Confident20 Ų2072.5 Ų72.514%0.1440%0.395CS..Hα-helixtrans-63.7-35-178.7-63.70000114.1V270 T271 R278V270-S274 WeakPolarHBondContact O-CB 3.42Å; V270-S274 PolarHBondContact O-N 3.42Å; V270-S274 PolarHBondContact O-OG 2.74Å; T271-S274 PolarHBondContact O-N 2.84Å; S274-R278 WeakPolarHBondContact O-CG 3.48Å; S274-R278 PolarHBondContact O-N 3.07Å; S274-R278 PolarHBondContact O-NE 3.31Å
275Q90.8Very high86.7Confident106 Ų10671.9 Ų71.950%0.49539%0.392SS..Hα-helixtrans-72-46.4174.2-177.7177.7-19.200110.4T271 A272 F273 V277 R278 E279T271-Q275 WeakPolarHBondContact O-CB 3.38Å; T271-Q275 PolarHBondContact O-N 2.98Å; A272-Q275 PolarHBondContact O-N 2.86Å; F273-Q275 VanDerWaalsContact C-N 3.33Å; F273-Q275 PolarHBondContact O-N 2.77Å; Q275-V277 PolarHBondContact O-N 3.09Å; Q275-R278 WeakPolarHBondContact O-CB 3.19Å; Q275-R278 PolarHBondContact O-N 3.16Å; Q275-R278 VanDerWaalsContact O-N 3.15Å; Q275-E279 HydrophobicContact CG-CG 4.48Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.31Å; Q275-E279 PolarHBondContact NE2-OE1 3.16Å; Q275-E279 WeakPolarHBondContact O-CG 3.23Å; Q275-E279 PolarHBondContact O-N 3.31Å
276R91.9Very high87Confident119 Ų11969.9 Ų69.945%0.44938%0.38SS..Hα-helixtrans-66.6-38.7-176.6-16760171.6174.8-0113V239 A240 A272 F273 R278 E279 I280V239-R276 HydrophobicContact CG1-CB 3.82Å; V239-R276 HydrophobicContact CG1-CG 3.7Å; A240-R276 HydrophobicContact CB-CB 3.96Å; A240-R276 HydrophobicContact CB-CG 4.29Å; A272-R276 WeakPolarHBondContact O-CB 3.01Å; A272-R276 PolarHBondContact O-N 2.71Å; F273-R276 PolarHBondContact O-N 3.48Å; R276-R278 VanDerWaalsContact C-N 3.33Å; R276-E279 WeakPolarHBondContact CD-OE2 3.16Å; R276-E279 IonicContact CZ-OE2 3.64Å; R276-E279 IonicContact NH1-OE2 2.65Å; R276-E279 PolarHBondContact NH1-OE2 3.48Å; R276-E279 PolarHBondContact O-N 3.16Å; R276-I280 HydrophobicContact CG-CD1 3.86Å; R276-I280 HydrophobicContact CG-CG1 4.48Å; R276-I280 VanDerWaalsContact O-CG1 3.27Å; R276-I280 WeakPolarHBondContact O-CG1 3.31Å; R276-I280 PolarHBondContact O-N 3.15Å
277V91.5Very high87.6Confident0 Ų069 Ų690%037%0.366CS..Hα-helixtrans-62-42.4172.5172.20000110.8V239 F273 Q275 I280 F281 I283 P285 F297V239-V277 HydrophobicContact CG1-CG2 3.94Å; F273-V277 HydrophobicContact CD1-CG2 4.35Å; F273-V277 HydrophobicContact CD2-CG2 4.11Å; F273-V277 HydrophobicContact CE1-CG2 4.02Å; F273-V277 HydrophobicContact CE2-CG2 3.77Å; F273-V277 HydrophobicContact CG-CG2 4.39Å; F273-V277 HydrophobicContact CZ-CG2 3.72Å; F273-V277 WeakPolarHBondContact O-CG2 3.26Å; F273-V277 PolarHBondContact O-N 2.9Å; Q275-V277 PolarHBondContact O-N 3.09Å; V277-I280 PolarHBondContact O-N 3.22Å; V277-F281 HydrophobicContact CG1-CD2 4.29Å; V277-F281 PolarHBondContact O-N 2.78Å; V277-I283 HydrophobicContact CG1-CG1 3.95Å; V277-P285 HydrophobicContact CB-CB 4.35Å; V277-P285 HydrophobicContact CB-CG 3.96Å; V277-P285 HydrophobicContact CG1-CB 4.08Å; V277-P285 HydrophobicContact CG1-CG 4.06Å; V277-P285 HydrophobicContact CG2-CB 4.39Å; V277-P285 HydrophobicContact CG2-CG 4.3Å; V277-F297 HydrophobicContact CB-CD1 4.34Å; V277-F297 HydrophobicContact CG1-CB 4.01Å; V277-F297 HydrophobicContact CG1-CD1 3.55Å; V277-F297 HydrophobicContact CG1-CE1 4.14Å; V277-F297 HydrophobicContact CG1-CG 3.8Å; V277-F297 HydrophobicContact CG2-CD1 3.73Å; V277-F297 HydrophobicContact CG2-CE1 3.85Å
278R92.2Very high88Confident126 Ų12669 Ų6948%0.47535%0.351SS..Hα-helixtrans-63.3-40.5175.6-83.4-176.5-76.5-171.20.9112.4S274 Q275 R276 S282 I283S274-R278 WeakPolarHBondContact O-CG 3.48Å; S274-R278 PolarHBondContact O-N 3.07Å; S274-R278 PolarHBondContact O-NE 3.31Å; Q275-R278 WeakPolarHBondContact O-CB 3.19Å; Q275-R278 PolarHBondContact O-N 3.16Å; Q275-R278 VanDerWaalsContact O-N 3.15Å; R276-R278 VanDerWaalsContact C-N 3.33Å; R278-S282 WeakPolarHBondContact O-CA 3.24Å; R278-S282 PolarHBondContact O-N 3.32Å; R278-I283 WeakPolarHBondContact CG-O 3.35Å
279E91.3Very high87.8Confident101 Ų10174 Ų7447%0.47237%0.373SS..Hα-helixtrans-64.5-41.8176.1-73170.5-172.500112.5Q275 R276Q275-E279 HydrophobicContact CG-CG 4.48Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.31Å; Q275-E279 PolarHBondContact NE2-OE1 3.16Å; Q275-E279 WeakPolarHBondContact O-CG 3.23Å; Q275-E279 PolarHBondContact O-N 3.31Å; R276-E279 WeakPolarHBondContact CD-OE2 3.16Å; R276-E279 IonicContact CZ-OE2 3.64Å; R276-E279 IonicContact NH1-OE2 2.65Å; R276-E279 PolarHBondContact NH1-OE2 3.48Å; R276-E279 PolarHBondContact O-N 3.16Å
280I90Very high86.6Confident74 Ų7475.1 Ų75.138%0.37938%0.381SS..Hα-helixtrans-79.7-43.6-175.3-63.5169.1000111.6R276 V277R276-I280 HydrophobicContact CG-CD1 3.86Å; R276-I280 HydrophobicContact CG-CG1 4.48Å; R276-I280 VanDerWaalsContact O-CG1 3.27Å; R276-I280 WeakPolarHBondContact O-CG1 3.31Å; R276-I280 PolarHBondContact O-N 3.15Å; V277-I280 PolarHBondContact O-N 3.22Å
281F90.5Very high85.7Confident31 Ų3178.2 Ų78.214%0.13640%0.396CS..Hα-helixtrans-117.3-4.6-166.9-62.6-68.1000114L235 V277 I283 F297 L299L235-F281 HydrophobicContact CD2-CE1 4.38Å; L235-F281 HydrophobicContact CD2-CZ 3.95Å; V277-F281 HydrophobicContact CG1-CD2 4.29Å; V277-F281 PolarHBondContact O-N 2.78Å; F281-I283 HydrophobicContact CB-CD1 3.68Å; F281-I283 HydrophobicContact CB-CG1 3.67Å; F281-I283 HydrophobicContact CG-CD1 4.38Å; F281-I283 PolarHBondContact O-N 3.04Å; F281-I283 VanDerWaalsContact O-N 3.17Å; F281-F297 HydrophobicContact CD2-CD2 4.36Å; F281-F297 HydrophobicContact CD2-CE1 4.3Å; F281-F297 AromaticContact CD2-CE2 3.73Å; F281-F297 HydrophobicContact CD2-CE2 3.73Å; F281-F297 AromaticContact CD2-CZ 3.7Å; F281-F297 HydrophobicContact CD2-CZ 3.7Å; F281-F297 HydrophobicContact CE2-CE1 4.09Å; F281-F297 AromaticContact CE2-CE2 3.63Å; F281-F297 HydrophobicContact CE2-CE2 3.63Å; F281-F297 AromaticContact CE2-CZ 3.29Å; F281-F297 HydrophobicContact CE2-CZ 3.29Å; F281-F297 HydrophobicContact CG-CE2 4.25Å; F281-F297 HydrophobicContact CZ-CE2 4.07Å; F281-F297 AromaticContact CZ-CZ 3.94Å; F281-F297 HydrophobicContact CZ-CZ 3.94Å; F281-L299 HydrophobicContact CB-CD2 4.13Å; F281-L299 HydrophobicContact CD1-CD1 3.96Å; F281-L299 HydrophobicContact CD1-CD2 3.88Å; F281-L299 HydrophobicContact CE1-CD1 3.95Å; F281-L299 HydrophobicContact CG-CD2 4.2Å
282S90.5Very high85Confident112 Ų11274.2 Ų74.278%0.78337%0.374SS*.SBendtrans55.627.2-175.4-58.40000114.2R278R278-S282 WeakPolarHBondContact O-CA 3.24Å; R278-S282 PolarHBondContact O-N 3.32Å
283I87.4Confident84.8Confident41 Ų4176.4 Ų76.421%0.2138%0.381CS..SBendtrans-124155.7179.263.2-169.7000111.2V277 R278 F281 F297 A298 L299V277-I283 HydrophobicContact CG1-CG1 3.95Å; R278-I283 WeakPolarHBondContact CG-O 3.35Å; F281-I283 HydrophobicContact CB-CD1 3.68Å; F281-I283 HydrophobicContact CB-CG1 3.67Å; F281-I283 HydrophobicContact CG-CD1 4.38Å; F281-I283 PolarHBondContact O-N 3.04Å; F281-I283 VanDerWaalsContact O-N 3.17Å; I283-F297 HydrophobicContact CD1-CB 3.64Å; I283-F297 HydrophobicContact CD1-CD2 3.48Å; I283-F297 VanDerWaalsContact CD1-CD2 3.48Å; I283-F297 HydrophobicContact CD1-CE2 4.4Å; I283-F297 HydrophobicContact CD1-CG 3.83Å; I283-F297 HydrophobicContact CG1-CB 4.17Å; I283-A298 WeakPolarHBondContact CD1-O 3.43Å; I283-L299 HydrophobicContact CD1-CD2 3.6Å; I283-L299 HydrophobicContact CD1-CG 4.14Å
284R87.2Confident84.7Confident216 Ų21678.6 Ų78.682%0.81540%0.396SS*.PPolyproline II helixtrans-87.3124174.3-168.8176.8-178.3-177-0.2109.5
285P91Very high84.6Confident13 Ų1377.7 Ų77.78%0.08439%0.39CS..PPolyproline II helixtrans-71.4157.3172.524.8-26.3000111.8F273 V277 G296 F297F273-P285 HydrophobicContact CD1-CB 4.36Å; F273-P285 HydrophobicContact CD1-CG 4.34Å; F273-P285 HydrophobicContact CE1-CB 3.79Å; F273-P285 HydrophobicContact CE1-CG 4.25Å; V277-P285 HydrophobicContact CB-CB 4.35Å; V277-P285 HydrophobicContact CB-CG 3.96Å; V277-P285 HydrophobicContact CG1-CB 4.08Å; V277-P285 HydrophobicContact CG1-CG 4.06Å; V277-P285 HydrophobicContact CG2-CB 4.39Å; V277-P285 HydrophobicContact CG2-CG 4.3Å; P285-G296 CarbonylContact C-O 3.58Å; P285-G296 WeakPolarHBondContact CA-O 3.47Å; P285-G296 WeakPolarHBondContact CB-O 3.23Å; P285-F297 HydrophobicContact CB-CB 4.32Å
286F88.9Confident84.7Confident57 Ų5772.7 Ų72.725%0.2537%0.367CS..EExtended strand (participates in β ladder)trans-96.9152.7165.363.4-95.4000109.9R259 V288 G295 G296 F297R259-F286 HydrophobicContact CG-CE1 3.94Å; R259-F286 HydrophobicContact CG-CZ 3.95Å; F286-V288 HydrophobicContact CE2-CG2 4.46Å; F286-G295 CarbonylContact O-C 3.59Å; F286-G295 WeakPolarHBondContact O-CA 3.47Å; F286-G296 VanDerWaalsContact CD1-C 3.49Å; F286-G296 VanDerWaalsContact CD1-O 3.31Å; F286-G296 WeakPolarHBondContact CD1-O 3.34Å; F286-G296 PolarHBondContact N-O 2.87Å; F286-G296 PolarHBondContact O-N 2.94Å; F286-F297 VanDerWaalsContact CE1-N 3.27Å
287M87.1Confident84.7Confident47 Ų4767 Ų6723%0.23235%0.345CS..EExtended strand (participates in β ladder)trans-121.3139.3175.3-61.3-59.4-6100108.7W242 V270 F273 G292W242-M287 HydrophobicContact CH2-CE 3.17Å; W242-M287 HydrophobicContact CH2-SD 4.37Å; W242-M287 HydrophobicContact CZ2-CE 3.69Å; W242-M287 HydrophobicContact CZ3-CE 3.95Å; V270-M287 HydrophobicContact CB-CE 4.17Å; V270-M287 HydrophobicContact CG1-CE 3.64Å; V270-M287 HydrophobicContact CG1-CG 3.68Å; V270-M287 HydrophobicContact CG1-SD 3.78Å; V270-M287 HydrophobicContact CG2-CE 3.64Å; F273-M287 HydrophobicContact CD1-SD 4.01Å; F273-M287 HydrophobicContact CE1-SD 4.23Å; M287-G292 VanDerWaalsContact CE-O 3.32Å; M287-G292 WeakPolarHBondContact CE-O 3.3Å
288V78.3Confident84.8Confident74 Ų7469.3 Ų69.345%0.44836%0.364SS..EExtended strand (participates in β ladder)trans-88.9119.1175.9-175.30000107.8F286 G292 S294F286-V288 HydrophobicContact CE2-CG2 4.46Å; V288-G292 WeakPolarHBondContact O-CA 3.42Å; V288-G292 PolarHBondContact O-N 2.97Å; V288-G292 VanDerWaalsContact O-N 3.12Å; V288-S294 WeakPolarHBondContact CB-O 3.05Å; V288-S294 PolarHBondContact N-O 3.41Å
289M71.5Confident84.8Confident143 Ų14364 Ų6470%0.70435%0.345SS*.THydrogen-bonded Turntrans-97.3155.5-179.8-63.8-60.2-71.500109.7
290P58.8Low84.8Confident110 Ų11063.7 Ų63.771%0.71435%0.352SS*.THydrogen-bonded Turncis-83.9-24.410.128.9-28000114.9G292P290-G292 VanDerWaalsContact C-N 3.29Å; P290-G292 PolarHBondContact O-N 2.72Å
291D66.4Low84.9Confident120 Ų12060.4 Ų60.464%0.64234%0.335SS*.THydrogen-bonded Turntrans-70.5-25.6-164-33.3-12.3000113.3N293D291-N293 HydrophobicContact CB-CB 4.35Å; D291-N293 PolarHBondContact O-N 3.02Å
292G71.9Confident84.9Confident12 Ų1264.4 Ų64.412%0.12436%0.363CS..  trans61.114.9-177.700000114W242 M287 V288 P290W242-G292 VanDerWaalsContact CH2-O 3.22Å; W242-G292 WeakPolarHBondContact CH2-O 3.32Å; M287-G292 VanDerWaalsContact CE-O 3.32Å; M287-G292 WeakPolarHBondContact CE-O 3.3Å; V288-G292 WeakPolarHBondContact O-CA 3.42Å; V288-G292 PolarHBondContact O-N 2.97Å; V288-G292 VanDerWaalsContact O-N 3.12Å; P290-G292 VanDerWaalsContact C-N 3.29Å; P290-G292 PolarHBondContact O-N 2.72Å
293N84.1Confident84.9Confident83 Ų8359.4 Ų59.444%0.44433%0.327SS..  trans-91.3-10.7178.6-75.6-27000113.1W242 T263 N264 D291W242-N293 VanDerWaalsContact CH2-C 3.5Å; W242-N293 VanDerWaalsContact CZ3-O 3.27Å; W242-N293 WeakPolarHBondContact CZ3-O 3.48Å; T263-N293 CarbonylContact C-O 3.41Å; T263-N293 WeakPolarHBondContact CA-O 3.43Å; N264-N293 PolarHBondContact N-O 2.83Å; D291-N293 HydrophobicContact CB-CB 4.35Å; D291-N293 PolarHBondContact O-N 3.02Å
294S87.8Confident84.9Confident45 Ų4561.2 Ų61.232%0.31534%0.343SS..EExtended strand (participates in β ladder)trans-124.3143.7176.2-54.30000108.7V288V288-S294 WeakPolarHBondContact CB-O 3.05Å; V288-S294 PolarHBondContact N-O 3.41Å
295G88.7Confident84.8Confident2 Ų254.2 Ų54.22%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-165.8178.4-17500000109.7S261 Y262 F286S261-G295 CarbonylContact C-O 3.56Å; S261-G295 WeakPolarHBondContact CA-O 3.49Å; Y262-G295 PolarHBondContact N-O 2.63Å; Y262-G295 PolarHBondContact O-N 3.29Å; F286-G295 CarbonylContact O-C 3.59Å; F286-G295 WeakPolarHBondContact O-CA 3.47Å
296G91.6Very high84.2Confident0 Ų054.8 Ų54.80%032%0.324CS..EExtended strand (participates in β ladder)trans178.8-173.2-175.400000112.4A260 P285 F286A260-G296 CarbonylContact O-C 3.51Å; A260-G296 WeakPolarHBondContact O-CA 3.4Å; P285-G296 CarbonylContact C-O 3.58Å; P285-G296 WeakPolarHBondContact CA-O 3.47Å; P285-G296 WeakPolarHBondContact CB-O 3.23Å; F286-G296 VanDerWaalsContact CD1-C 3.49Å; F286-G296 VanDerWaalsContact CD1-O 3.31Å; F286-G296 WeakPolarHBondContact CD1-O 3.34Å; F286-G296 PolarHBondContact N-O 2.87Å; F286-G296 PolarHBondContact O-N 2.94Å
297F93.2Very high83.7Confident0 Ų061.3 Ų61.30%036%0.355CS..EExtended strand (participates in β ladder)trans-153.7159.9177.253-94.5000109.8L235 A260 Y262 F273 V277 F281 I283 P285 F286 L299L235-F297 HydrophobicContact CD2-CE2 3.55Å; L235-F297 HydrophobicContact CD2-CZ 3.71Å; A260-F297 HydrophobicContact CB-CD2 4.46Å; A260-F297 HydrophobicContact CB-CE2 4.1Å; A260-F297 HydrophobicContact CB-CZ 4.18Å; A260-F297 PolarHBondContact N-O 3.06Å; A260-F297 PolarHBondContact O-N 2.88Å; Y262-F297 AromaticContact CD2-CE1 3.92Å; Y262-F297 HydrophobicContact CD2-CE1 3.92Å; Y262-F297 HydrophobicContact CE2-CD1 4.41Å; Y262-F297 AromaticContact CE2-CE1 3.43Å; Y262-F297 HydrophobicContact CE2-CE1 3.43Å; Y262-F297 VanDerWaalsContact CE2-CE1 3.43Å; Y262-F297 AromaticContact CE2-CZ 3.71Å; Y262-F297 HydrophobicContact CE2-CZ 3.71Å; F273-F297 HydrophobicContact CZ-CD1 4.4Å; V277-F297 HydrophobicContact CB-CD1 4.34Å; V277-F297 HydrophobicContact CG1-CB 4.01Å; V277-F297 HydrophobicContact CG1-CD1 3.55Å; V277-F297 HydrophobicContact CG1-CE1 4.14Å; V277-F297 HydrophobicContact CG1-CG 3.8Å; V277-F297 HydrophobicContact CG2-CD1 3.73Å; V277-F297 HydrophobicContact CG2-CE1 3.85Å; F281-F297 HydrophobicContact CD2-CD2 4.36Å; F281-F297 HydrophobicContact CD2-CE1 4.3Å; F281-F297 AromaticContact CD2-CE2 3.73Å; F281-F297 HydrophobicContact CD2-CE2 3.73Å; F281-F297 AromaticContact CD2-CZ 3.7Å; F281-F297 HydrophobicContact CD2-CZ 3.7Å; F281-F297 HydrophobicContact CE2-CE1 4.09Å; F281-F297 AromaticContact CE2-CE2 3.63Å; F281-F297 HydrophobicContact CE2-CE2 3.63Å; F281-F297 AromaticContact CE2-CZ 3.29Å; F281-F297 HydrophobicContact CE2-CZ 3.29Å; F281-F297 HydrophobicContact CG-CE2 4.25Å; F281-F297 HydrophobicContact CZ-CE2 4.07Å; F281-F297 AromaticContact CZ-CZ 3.94Å; F281-F297 HydrophobicContact CZ-CZ 3.94Å; I283-F297 HydrophobicContact CD1-CB 3.64Å; I283-F297 HydrophobicContact CD1-CD2 3.48Å; I283-F297 VanDerWaalsContact CD1-CD2 3.48Å; I283-F297 HydrophobicContact CD1-CE2 4.4Å; I283-F297 HydrophobicContact CD1-CG 3.83Å; I283-F297 HydrophobicContact CG1-CB 4.17Å; P285-F297 HydrophobicContact CB-CB 4.32Å; F286-F297 VanDerWaalsContact CE1-N 3.27Å; F297-L299 HydrophobicContact CD2-CD1 4.42Å; F297-L299 HydrophobicContact CD2-CG 4.14Å; F297-L299 HydrophobicContact CE2-CD1 3.96Å; F297-L299 HydrophobicContact CE2-CG 4.18Å
298A92.2Very high83.4Confident48 Ų4864.9 Ų64.940%0.39738%0.38SS..EExtended strand (participates in β ladder)trans-113.3133.817700000109.8L258 I283L258-A298 CarbonylContact O-C 3.57Å; L258-A298 WeakPolarHBondContact O-CA 3.33Å; I283-A298 WeakPolarHBondContact CD1-O 3.43Å
299L92.5Very high83.1Confident15 Ų1564.2 Ų64.28%0.07938%0.377CS..EExtended strand (participates in β ladder)trans-112.4134.6174-70.4169.4000109V231 L235 N257 L258 F281 I283 F297V231-L299 HydrophobicContact CG1-CB 3.79Å; V231-L299 HydrophobicContact CG1-CD1 3.6Å; V231-L299 HydrophobicContact CG1-CG 4.35Å; L235-L299 HydrophobicContact CD2-CD1 3.81Å; N257-L299 WeakPolarHBondContact CA-O 3.42Å; L258-L299 PolarHBondContact N-O 2.99Å; L258-L299 PolarHBondContact O-N 3.35Å; F281-L299 HydrophobicContact CB-CD2 4.13Å; F281-L299 HydrophobicContact CD1-CD1 3.96Å; F281-L299 HydrophobicContact CD1-CD2 3.88Å; F281-L299 HydrophobicContact CE1-CD1 3.95Å; F281-L299 HydrophobicContact CG-CD2 4.2Å; I283-L299 HydrophobicContact CD1-CD2 3.6Å; I283-L299 HydrophobicContact CD1-CG 4.14Å; F297-L299 HydrophobicContact CD2-CD1 4.42Å; F297-L299 HydrophobicContact CD2-CG 4.14Å; F297-L299 HydrophobicContact CE2-CD1 3.96Å; F297-L299 HydrophobicContact CE2-CG 4.18Å
300P91.8Very high83.3Confident95 Ų9558.9 Ų58.962%0.61735%0.352SS*.EExtended strand (participates in β ladder)trans-66.3143.9173.129.1-33.9000110.1
301V92.1Very high84Confident5 Ų555.9 Ų55.93%0.0334%0.337CS..EExtended strand (participates in β ladder)trans-121.9142.5172.5-170.10000107.7G227 V231 S255 G256 L258 F303G227-V301 WeakPolarHBondContact O-CG1 3.05Å; V231-V301 HydrophobicContact CB-CG2 4.38Å; V231-V301 HydrophobicContact CG2-CB 4.4Å; V231-V301 HydrophobicContact CG2-CG1 4.19Å; V231-V301 HydrophobicContact CG2-CG2 3.75Å; S255-V301 CarbonylContact C-O 3.59Å; G256-V301 PolarHBondContact N-O 2.88Å; G256-V301 PolarHBondContact O-N 3.35Å; L258-V301 HydrophobicContact CB-CG2 3.64Å; V301-F303 HydrophobicContact CB-CE1 4.39Å; V301-F303 HydrophobicContact CB-CE2 4.29Å; V301-F303 HydrophobicContact CB-CZ 3.91Å; V301-F303 HydrophobicContact CG1-CD1 4.12Å; V301-F303 HydrophobicContact CG1-CE1 3.47Å; V301-F303 VanDerWaalsContact CG1-CE1 3.47Å; V301-F303 HydrophobicContact CG1-CE2 4.16Å; V301-F303 HydrophobicContact CG1-CZ 3.49Å; V301-F303 VanDerWaalsContact CG1-CZ 3.49Å
302T90.6Very high84.2Confident115 Ų11551 Ų5171%0.70631%0.312SS*.EExtended strand (participates in β ladder)trans-120.4135.1175.6-46.80000107.6N254N254-T302 WeakPolarHBondContact O-CG2 3.36Å
303F90Very high84.2Confident7 Ų757.3 Ų57.33%0.03134%0.338CS..  trans-116.1141-179.2-51.7-76.3000110.1P219 F224 A251 N254 V301P219-F303 HydrophobicContact CB-CB 3.67Å; P219-F303 HydrophobicContact CB-CG 4.28Å; P219-F303 HydrophobicContact CG-CB 3.85Å; P219-F303 HydrophobicContact CG-CD1 4.46Å; P219-F303 HydrophobicContact CG-CD2 4.28Å; P219-F303 HydrophobicContact CG-CG 3.96Å; F224-F303 HydrophobicContact CD2-CD1 4.04Å; F224-F303 AromaticContact CD2-CE1 3.54Å; F224-F303 HydrophobicContact CD2-CE1 3.54Å; F224-F303 HydrophobicContact CD2-CE2 4.33Å; F224-F303 AromaticContact CD2-CZ 3.71Å; F224-F303 HydrophobicContact CD2-CZ 3.71Å; F224-F303 AromaticContact CE2-CE1 3.95Å; F224-F303 HydrophobicContact CE2-CE1 3.95Å; F224-F303 HydrophobicContact CE2-CE2 4.4Å; F224-F303 AromaticContact CE2-CZ 3.7Å; F224-F303 HydrophobicContact CE2-CZ 3.7Å; F224-F303 HydrophobicContact CG-CE1 4.4Å; F224-F303 WeakPolarHBondContact O-CE1 3.18Å; A251-F303 HydrophobicContact CB-CD2 3.91Å; A251-F303 HydrophobicContact CB-CE2 3.5Å; A251-F303 VanDerWaalsContact CB-CE2 3.5Å; A251-F303 HydrophobicContact CB-CZ 4.03Å; N254-F303 PolarHBondContact O-N 2.9Å; V301-F303 HydrophobicContact CB-CE1 4.39Å; V301-F303 HydrophobicContact CB-CE2 4.29Å; V301-F303 HydrophobicContact CB-CZ 3.91Å; V301-F303 HydrophobicContact CG1-CD1 4.12Å; V301-F303 HydrophobicContact CG1-CE1 3.47Å; V301-F303 VanDerWaalsContact CG1-CE1 3.47Å; V301-F303 HydrophobicContact CG1-CE2 4.16Å; V301-F303 HydrophobicContact CG1-CZ 3.49Å; V301-F303 VanDerWaalsContact CG1-CZ 3.49Å
304S86.7Confident83.8Confident79 Ų7956.6 Ų56.655%0.55234%0.344SS*.PPolyproline II helixtrans-71.4132.2168.6-59.10000109
305M85.1Confident83.2Confident69 Ų6954.9 Ų54.934%0.3433%0.331SS..PPolyproline II helixtrans-93.1144.2175.8-66.4-58.9-6800109.9S217 P219 N254 E307S217-M305 WeakPolarHBondContact O-CE 3.42Å; P219-M305 HydrophobicContact CB-SD 4.44Å; N254-M305 HydrophobicContact CB-CG 3.72Å; N254-M305 HydrophobicContact CB-SD 4.17Å; M305-E307 PolarHBondContact O-N 2.74Å
306P78.9Confident82.5Confident24 Ų2455.5 Ų55.516%0.15634%0.335CS..PPolyproline II helixtrans-63.6133.4176.624.5-32000111E220 T308 P309E220-P306 HydrophobicContact CG-CB 4Å; E220-P306 HydrophobicContact CG-CG 4.12Å; P306-T308 VanDerWaalsContact C-N 3.25Å; P306-T308 PolarHBondContact O-N 2.91Å; P306-P309 HydrophobicContact CG-CB 4.2Å
307E79.3Confident81.6Confident195 Ų19561.1 Ų61.191%0.91136%0.361SS*.SBendtrans-67-29.1174.9-66.2-173.8171.100112.1M305M305-E307 PolarHBondContact O-N 2.74Å
308T79.6Confident80.5Confident122 Ų12263.2 Ų63.275%0.74837%0.372SS*.SBendtrans-131.984.8179.741.20000110.2P306P306-T308 VanDerWaalsContact C-N 3.25Å; P306-T308 PolarHBondContact O-N 2.91Å
309P72.2Confident79.7Confident59 Ų5965.6 Ų65.638%0.38338%0.382SS..PPolyproline II helixtrans-68.1149.2-178.728.7-34.5000111.7L216 P306 A311L216-P309 HydrophobicContact CD2-CB 3.64Å; L216-P309 HydrophobicContact CD2-CG 3.99Å; P306-P309 HydrophobicContact CG-CB 4.2Å; P309-A311 PolarHBondContact O-N 3.44Å
310V77Confident79Confident31 Ų3168.2 Ų68.219%0.18840%0.396CS..PPolyproline II helixtrans-72.1124.8-174.1-178.90000110.5W215 L216 A314 P380W215-V310 PolarHBondContact NE1-O 3.36Å; L216-V310 WeakPolarHBondContact CD2-O 2.94Å; V310-A314 HydrophobicContact CG1-CB 3.95Å; V310-P380 HydrophobicContact CG1-CB 4.35Å; V310-P380 HydrophobicContact CG2-CB 4Å
311A72Confident78.4Confident48 Ų4863.8 Ų63.840%0.39737%0.366SS..PPolyproline II helixtrans-69.4152.7177.400000111.7P309 E313 A314P309-A311 PolarHBondContact O-N 3.44Å; A311-E313 WeakPolarHBondContact CB-OE2 3.1Å; A311-E313 PolarHBondContact O-N 3Å; A311-A314 PolarHBondContact O-N 3.41Å; A311-A314 VanDerWaalsContact O-N 3.08Å
312V72Confident77.8Confident18 Ų1867.2 Ų67.211%0.10938%0.382CS..G310 helixtrans-58.7-37.6-177.8-1770000110.7P213 W215 A314 L315 W357P213-V312 HydrophobicContact CB-CG2 4.32Å; P213-V312 HydrophobicContact CG-CG2 3.41Å; P213-V312 VanDerWaalsContact CG-CG2 3.41Å; W215-V312 HydrophobicContact CH2-CG1 4.33Å; W215-V312 HydrophobicContact CH2-CG2 3.94Å; W215-V312 HydrophobicContact CZ2-CB 4.08Å; W215-V312 HydrophobicContact CZ2-CG1 4.27Å; W215-V312 HydrophobicContact CZ2-CG2 3.44Å; W215-V312 VanDerWaalsContact CZ2-CG2 3.44Å; V312-A314 PolarHBondContact O-N 2.65Å; V312-L315 HydrophobicContact CG1-CD1 4.26Å; V312-L315 VanDerWaalsContact O-CB 3.27Å; V312-L315 WeakPolarHBondContact O-CB 3.4Å; V312-L315 VanDerWaalsContact O-CG 3.3Å; V312-L315 WeakPolarHBondContact O-CG 3.35Å; V312-L315 PolarHBondContact O-N 2.88Å; V312-L315 VanDerWaalsContact O-N 3.09Å; V312-W357 HydrophobicContact CG1-CB 4.41Å; V312-W357 HydrophobicContact CG1-CE3 4.18Å; V312-W357 HydrophobicContact CG2-CE3 4.01Å; V312-W357 HydrophobicContact CG2-CZ3 4.2Å
313E70.8Confident77.5Confident143 Ų14367.8 Ų67.867%0.66838%0.377SS*.G310 helixtrans-70.3-12.7-177.8-55.177.1-169.100113.1A311A311-E313 WeakPolarHBondContact CB-OE2 3.1Å; A311-E313 PolarHBondContact O-N 3Å
314A76.5Confident77.2Confident69 Ų6972.9 Ų72.957%0.5740%0.396SS*.G310 helixtrans-93.3-2.4175.200000112.4V310 A311 V312V310-A314 HydrophobicContact CG1-CB 3.95Å; A311-A314 PolarHBondContact O-N 3.41Å; A311-A314 VanDerWaalsContact O-N 3.08Å; V312-A314 PolarHBondContact O-N 2.65Å
315L75.5Confident77.1Confident8 Ų869.2 Ų69.24%0.04237%0.37CS..SBendtrans-72.2136.3177.5-63.6173.1000110.3W215 V312 A405W215-L315 HydrophobicContact CH2-CD1 3.87Å; W215-L315 HydrophobicContact CZ2-CD1 3.66Å; V312-L315 HydrophobicContact CG1-CD1 4.26Å; V312-L315 VanDerWaalsContact O-CB 3.27Å; V312-L315 WeakPolarHBondContact O-CB 3.4Å; V312-L315 VanDerWaalsContact O-CG 3.3Å; V312-L315 WeakPolarHBondContact O-CG 3.35Å; V312-L315 PolarHBondContact O-N 2.88Å; V312-L315 VanDerWaalsContact O-N 3.09Å; L315-A405 HydrophobicContact CD1-CB 3.72Å
316P74.1Confident77Confident16 Ų1668.3 Ų68.310%0.10437%0.369CS..PPolyproline II helixtrans-65.8150.3177.328-32.4000111.8L320 L321 S381P316-L320 HydrophobicContact CB-CB 4.28Å; P316-L320 HydrophobicContact CB-CD2 3.93Å; P316-L320 HydrophobicContact CB-CG 4.2Å; P316-L321 HydrophobicContact CB-CB 4.46Å; P316-L321 HydrophobicContact CG-CB 3.99Å; P316-L321 HydrophobicContact CG-CD1 3.9Å; P316-L321 HydrophobicContact CG-CD2 4.5Å; P316-L321 HydrophobicContact CG-CG 4.35Å; P316-S381 WeakPolarHBondContact CD-OG 3.37Å; P316-S381 WeakPolarHBondContact CG-OG 3.28Å
317E71.4Confident77.4Confident118 Ų11871.3 Ų71.355%0.55139%0.386SS*.PPolyproline II helixtrans-61.9158.5169.9-66.9-172.8169.400111.8T319 L320 L321E317-T319 VanDerWaalsContact C-N 3.31Å; E317-T319 PolarHBondContact O-N 3.27Å; E317-L320 PolarHBondContact O-N 3.23Å; E317-L320 VanDerWaalsContact O-N 3.11Å; E317-L321 PolarHBondContact O-N 2.86Å
318N70.5Confident77.5Confident44 Ų4463.4 Ų63.424%0.23535%0.35CS..Hα-helixtrans-55.7-41.5-169.8-161.648.7000114Q322 R406N318-Q322 WeakPolarHBondContact O-CB 3.21Å; N318-Q322 VanDerWaalsContact O-CG 3.26Å; N318-Q322 WeakPolarHBondContact O-CG 3.17Å; N318-Q322 PolarHBondContact O-N 3.23Å; N318-R406 PolarHBondContact ND2-NH1 3.42Å; N318-R406 WeakPolarHBondContact OD1-CD 3.47Å; N318-R406 PolarHBondContact OD1-NH1 3.39Å
319T74.6Confident77.7Confident97 Ų9758.4 Ų58.460%0.59532%0.321SS*.Hα-helixtrans-65.3-46.2178.9280000111.8E317 Q322 E323E317-T319 VanDerWaalsContact C-N 3.31Å; E317-T319 PolarHBondContact O-N 3.27Å; T319-Q322 PolarHBondContact O-N 2.79Å; T319-E323 WeakPolarHBondContact O-CB 3.45Å; T319-E323 PolarHBondContact O-N 3.19Å
320L79.1Confident78.3Confident71 Ų7165 Ų6537%0.37234%0.338SS..Hα-helixtrans-66.3-40.7-179.7-177.562.6000111.5P316 E317 E323 R324P316-L320 HydrophobicContact CB-CB 4.28Å; P316-L320 HydrophobicContact CB-CD2 3.93Å; P316-L320 HydrophobicContact CB-CG 4.2Å; E317-L320 PolarHBondContact O-N 3.23Å; E317-L320 VanDerWaalsContact O-N 3.11Å; L320-E323 PolarHBondContact O-N 3.26Å; L320-R324 WeakPolarHBondContact O-CB 3.09Å; L320-R324 VanDerWaalsContact O-CG 3.29Å; L320-R324 WeakPolarHBondContact O-CG 3.3Å; L320-R324 PolarHBondContact O-N 2.86Å
321L78.8Confident78.7Confident1 Ų167.7 Ų67.71%0.00536%0.359CS..Hα-helixtrans-65.5-45177.8-172.854.9000112P316 E317 E323 R324 L325 E379 L404P316-L321 HydrophobicContact CB-CB 4.46Å; P316-L321 HydrophobicContact CG-CB 3.99Å; P316-L321 HydrophobicContact CG-CD1 3.9Å; P316-L321 HydrophobicContact CG-CD2 4.5Å; P316-L321 HydrophobicContact CG-CG 4.35Å; E317-L321 PolarHBondContact O-N 2.86Å; L321-E323 VanDerWaalsContact C-N 3.32Å; L321-E323 PolarHBondContact O-N 2.96Å; L321-R324 PolarHBondContact O-N 3.23Å; L321-L325 HydrophobicContact CD1-CD1 4.28Å; L321-L325 HydrophobicContact CD1-CG 4.25Å; L321-L325 HydrophobicContact CG-CD1 4.19Å; L321-L325 WeakPolarHBondContact O-CG 3.27Å; L321-L325 PolarHBondContact O-N 3.02Å; L321-E379 HydrophobicContact CD1-CG 3.77Å; L321-L404 HydrophobicContact CD1-CD1 4.16Å; L321-L404 HydrophobicContact CD2-CD1 3.79Å; L321-L404 HydrophobicContact CD2-CD2 3.71Å; L321-L404 HydrophobicContact CD2-CG 3.77Å; L321-L404 HydrophobicContact CG-CD1 4.21Å; L321-L404 HydrophobicContact CG-CD2 4.33Å
322Q79.9Confident79.2Confident78 Ų7866.6 Ų66.636%0.36435%0.346SS..Hα-helixtrans-60.4-42.6175.4-77.1-179.9-16.300111.7N318 T319 T326 W338N318-Q322 WeakPolarHBondContact O-CB 3.21Å; N318-Q322 VanDerWaalsContact O-CG 3.26Å; N318-Q322 WeakPolarHBondContact O-CG 3.17Å; N318-Q322 PolarHBondContact O-N 3.23Å; T319-Q322 PolarHBondContact O-N 2.79Å; Q322-T326 WeakPolarHBondContact O-CB 3.21Å; Q322-T326 PolarHBondContact O-N 2.69Å; Q322-T326 PolarHBondContact O-OG1 3.09Å; Q322-W338 HydrophobicContact CG-CZ2 4.34Å
323E84.1Confident79.7Confident127 Ų12774.3 Ų74.359%0.59338%0.381SS*.Hα-helixtrans-62-45.6176.7-171.5179.9178.200111.6T319 L320 L321 T326 T327T319-E323 WeakPolarHBondContact O-CB 3.45Å; T319-E323 PolarHBondContact O-N 3.19Å; L320-E323 PolarHBondContact O-N 3.26Å; L321-E323 VanDerWaalsContact C-N 3.32Å; L321-E323 PolarHBondContact O-N 2.96Å; E323-T326 PolarHBondContact O-N 2.92Å; E323-T327 VanDerWaalsContact O-CB 3.3Å; E323-T327 WeakPolarHBondContact O-CB 3.45Å; E323-T327 PolarHBondContact O-N 2.97Å; E323-T327 PolarHBondContact O-OG1 2.92Å
324R84.5Confident80.3Confident113 Ų11368.1 Ų68.143%0.42635%0.352SS..Hα-helixtrans-62.4-50177.7-73.8179.2-177.4-173.6-0112.5L320 L321 T326 T327 L328 E379L320-R324 WeakPolarHBondContact O-CB 3.09Å; L320-R324 VanDerWaalsContact O-CG 3.29Å; L320-R324 WeakPolarHBondContact O-CG 3.3Å; L320-R324 PolarHBondContact O-N 2.86Å; L321-R324 PolarHBondContact O-N 3.23Å; R324-T326 PolarHBondContact O-N 3.33Å; R324-T327 PolarHBondContact O-N 3.06Å; R324-L328 WeakPolarHBondContact O-CB 3.27Å; R324-L328 PolarHBondContact O-N 2.93Å; R324-E379 WeakPolarHBondContact CD-OE2 3.32Å; R324-E379 IonicContact NH1-OE1 2.75Å; R324-E379 PolarHBondContact NH1-OE1 2.75Å; R324-E379 IonicContact NH1-OE2 3.28Å
325L83.1Confident80.6Confident2 Ų272.4 Ų72.41%0.0136%0.358CS..Hα-helixtrans-64.2-40.6179.3-67.8176.8000111.8L321 L328 A329 M336 W338 F377 V382 L404L321-L325 HydrophobicContact CD1-CD1 4.28Å; L321-L325 HydrophobicContact CD1-CG 4.25Å; L321-L325 HydrophobicContact CG-CD1 4.19Å; L321-L325 WeakPolarHBondContact O-CG 3.27Å; L321-L325 PolarHBondContact O-N 3.02Å; L325-L328 PolarHBondContact O-N 2.81Å; L325-A329 WeakPolarHBondContact O-CB 3.37Å; L325-A329 PolarHBondContact O-N 2.89Å; L325-M336 HydrophobicContact CB-CE 4.31Å; L325-M336 HydrophobicContact CD2-CE 4.07Å; L325-W338 HydrophobicContact CB-CZ3 4.39Å; L325-F377 HydrophobicContact CD2-CE2 4.43Å; L325-F377 HydrophobicContact CD2-CZ 3.94Å; L325-V382 HydrophobicContact CD2-CG2 4.12Å; L325-L404 HydrophobicContact CD1-CD1 3.88Å; L325-L404 HydrophobicContact CD1-CD2 4.09Å
326T84.1Confident81Confident51 Ų5173.7 Ų73.731%0.31336%0.364SS..Hα-helixtrans-65.8-39.9177.3-55.70000111.5Q322 E323 R324 A329 R330Q322-T326 WeakPolarHBondContact O-CB 3.21Å; Q322-T326 PolarHBondContact O-N 2.69Å; Q322-T326 PolarHBondContact O-OG1 3.09Å; E323-T326 PolarHBondContact O-N 2.92Å; R324-T326 PolarHBondContact O-N 3.33Å; T326-A329 PolarHBondContact O-N 3.33Å; T326-R330 WeakPolarHBondContact O-CG 3.41Å; T326-R330 PolarHBondContact O-N 3.46Å
327T85.8Confident81.3Confident86 Ų8676.8 Ų76.853%0.52838%0.38SS..Hα-helixtrans-63.3-44.4176.1-600000111E323 R324 R330 S331E323-T327 VanDerWaalsContact O-CB 3.3Å; E323-T327 WeakPolarHBondContact O-CB 3.45Å; E323-T327 PolarHBondContact O-N 2.97Å; E323-T327 PolarHBondContact O-OG1 2.92Å; R324-T327 PolarHBondContact O-N 3.06Å; T327-R330 PolarHBondContact O-N 3.48Å; T327-S331 PolarHBondContact O-N 2.67Å; T327-S331 PolarHBondContact O-OG 2.96Å
328L82.9Confident81.8Confident29 Ų2974.3 Ų74.315%0.15237%0.366CS..Hα-helixtrans-65.2-43.4177.1-172.470.7000112.5R324 L325 R330 S331 M332 H376 F377R324-L328 WeakPolarHBondContact O-CB 3.27Å; R324-L328 PolarHBondContact O-N 2.93Å; L325-L328 PolarHBondContact O-N 2.81Å; L328-R330 VanDerWaalsContact C-N 3.27Å; L328-R330 PolarHBondContact O-N 3.06Å; L328-S331 PolarHBondContact O-N 3.36Å; L328-S331 PolarHBondContact O-OG 2.93Å; L328-S331 VanDerWaalsContact O-OG 3.06Å; L328-M332 HydrophobicContact CD1-SD 4.08Å; L328-M332 HydrophobicContact CG-SD 4.47Å; L328-M332 PolarHBondContact O-N 3.36Å; L328-M332 VanDerWaalsContact O-N 3.1Å; L328-H376 WeakPolarHBondContact CD1-O 3.44Å; L328-F377 HydrophobicContact CD2-CB 4.24Å; L328-F377 HydrophobicContact CD2-CD2 3.17Å; L328-F377 HydrophobicContact CD2-CE2 3.44Å; L328-F377 VanDerWaalsContact CD2-CE2 3.44Å; L328-F377 HydrophobicContact CD2-CG 3.76Å; L328-F377 HydrophobicContact CD2-CZ 4.23Å; L328-F377 HydrophobicContact CG-CD2 4.37Å
329A83.6Confident82.1Confident17 Ų1776.1 Ų76.114%0.1437%0.372CS..Hα-helixtrans-56.7-44175.600000111.1L325 T326 Q333 L334 M336L325-A329 WeakPolarHBondContact O-CB 3.37Å; L325-A329 PolarHBondContact O-N 2.89Å; T326-A329 PolarHBondContact O-N 3.33Å; A329-Q333 CarbonylContact O-C 3.01Å; A329-Q333 WeakPolarHBondContact O-CA 3.42Å; A329-Q333 PolarHBondContact O-N 3.47Å; A329-L334 PolarHBondContact O-N 2.9Å; A329-M336 HydrophobicContact CB-CG 4.09Å; A329-M336 HydrophobicContact CB-SD 3.51Å; A329-M336 VanDerWaalsContact CB-SD 3.51Å
330R85.1Confident82.2Confident197 Ų19776.2 Ų76.274%0.74337%0.366SS*.Hα-helixtrans-68.2-44.5177.8-75.1177.7177.4-179.60.5112.5T326 T327 L328 M332 Q333T326-R330 WeakPolarHBondContact O-CG 3.41Å; T326-R330 PolarHBondContact O-N 3.46Å; T327-R330 PolarHBondContact O-N 3.48Å; L328-R330 VanDerWaalsContact C-N 3.27Å; L328-R330 PolarHBondContact O-N 3.06Å; R330-M332 VanDerWaalsContact C-N 3.29Å; R330-M332 PolarHBondContact O-N 3.31Å; R330-Q333 PolarHBondContact O-N 3.49Å
331S84.6Confident82Confident89 Ų8975.2 Ų75.262%0.62236%0.363SS*.Hα-helixtrans-66.2-32.5-176.7680000112.9T327 L328T327-S331 PolarHBondContact O-N 2.67Å; T327-S331 PolarHBondContact O-OG 2.96Å; L328-S331 PolarHBondContact O-N 3.36Å; L328-S331 PolarHBondContact O-OG 2.93Å; L328-S331 VanDerWaalsContact O-OG 3.06Å
332M81.7Confident81.6Confident25 Ų2580 Ų8012%0.12340%0.396CS..THydrogen-bonded Turntrans-102.42.1-179.1-64.2-172.177.400114.1L328 R330 L334 L368 H376L328-M332 HydrophobicContact CD1-SD 4.08Å; L328-M332 HydrophobicContact CG-SD 4.47Å; L328-M332 PolarHBondContact O-N 3.36Å; L328-M332 VanDerWaalsContact O-N 3.1Å; R330-M332 VanDerWaalsContact C-N 3.29Å; R330-M332 PolarHBondContact O-N 3.31Å; M332-L334 VanDerWaalsContact C-N 3.25Å; M332-L334 HydrophobicContact CB-CD1 3.78Å; M332-L334 HydrophobicContact CB-CD2 4.21Å; M332-L334 HydrophobicContact CB-CG 3.6Å; M332-L334 HydrophobicContact CG-CD1 4.46Å; M332-L334 PolarHBondContact O-N 3.48Å; M332-L334 HydrophobicContact SD-CD1 3.98Å; M332-L368 HydrophobicContact CE-CD1 3.86Å; M332-H376 HydrophobicContact CE-CB 3.75Å; M332-H376 HydrophobicContact CG-CB 4.37Å; M332-H376 HydrophobicContact SD-CB 3.36Å; M332-H376 WeakPolarHBondContact SD-CB 3.36Å
333Q83.4Confident81.3Confident179 Ų17977 Ų7784%0.83638%0.383SS*.THydrogen-bonded Turntrans52.440.7-173.7-60.3-176.9-14.900113.3A329 R330A329-Q333 CarbonylContact O-C 3.01Å; A329-Q333 WeakPolarHBondContact O-CA 3.42Å; A329-Q333 PolarHBondContact O-N 3.47Å; R330-Q333 PolarHBondContact O-N 3.49Å
334L83.6Confident80.7Confident13 Ų1373.3 Ų73.37%0.06837%0.371CS..  trans-84.4140.5178.9-57.2170.4000110.2A329 M332 M336 I364 T366 L368A329-L334 PolarHBondContact O-N 2.9Å; M332-L334 VanDerWaalsContact C-N 3.25Å; M332-L334 HydrophobicContact CB-CD1 3.78Å; M332-L334 HydrophobicContact CB-CD2 4.21Å; M332-L334 HydrophobicContact CB-CG 3.6Å; M332-L334 HydrophobicContact CG-CD1 4.46Å; M332-L334 PolarHBondContact O-N 3.48Å; M332-L334 HydrophobicContact SD-CD1 3.98Å; L334-M336 HydrophobicContact CB-CG 4.02Å; L334-M336 HydrophobicContact CB-SD 4.32Å; L334-M336 HydrophobicContact CD1-SD 4.35Å; L334-I364 HydrophobicContact CB-CG2 4.02Å; L334-I364 HydrophobicContact CD1-CG2 4.13Å; L334-I364 HydrophobicContact CD2-CG2 4.14Å; L334-I364 HydrophobicContact CG-CG2 4.31Å; L334-T366 VanDerWaalsContact CD2-CB 3.48Å; L334-T366 HydrophobicContact CD2-CG2 3.98Å; L334-T366 WeakPolarHBondContact CD2-OG1 3.44Å; L334-L368 HydrophobicContact CD2-CD1 4.28Å
335K82.9Confident80Confident160 Ų16071.8 Ų71.870%0.69637%0.368SS*.EExtended strand (participates in β ladder)trans-88.2111.7164-71-173.5177.6-175.20108I364 L365K335-I364 WeakPolarHBondContact O-CA 3.45Å; K335-L365 HydrophobicContact CB-CB 4.43Å; K335-L365 PolarHBondContact N-O 2.86Å; K335-L365 PolarHBondContact O-N 2.84Å
336M83.2Confident79.2Confident35 Ų3576.5 Ų76.517%0.17240%0.397CS..EExtended strand (participates in β ladder)trans-117.3133.9-179.7-62.9179.261.100109.4L325 A329 L334 W338 L362 Q363 I364 F377L325-M336 HydrophobicContact CB-CE 4.31Å; L325-M336 HydrophobicContact CD2-CE 4.07Å; A329-M336 HydrophobicContact CB-CG 4.09Å; A329-M336 HydrophobicContact CB-SD 3.51Å; A329-M336 VanDerWaalsContact CB-SD 3.51Å; L334-M336 HydrophobicContact CB-CG 4.02Å; L334-M336 HydrophobicContact CB-SD 4.32Å; L334-M336 HydrophobicContact CD1-SD 4.35Å; M336-W338 HydrophobicContact CB-CE3 4.5Å; M336-W338 HydrophobicContact CB-CZ3 4.35Å; M336-L362 HydrophobicContact CB-CD1 4.42Å; M336-L362 HydrophobicContact CE-CD1 3.69Å; M336-L362 HydrophobicContact CE-CD2 4Å; M336-L362 HydrophobicContact CE-CG 4.38Å; M336-Q363 VanDerWaalsContact CA-O 3.32Å; M336-Q363 WeakPolarHBondContact CA-O 3.35Å; M336-I364 HydrophobicContact CE-CD1 3.95Å; M336-I364 HydrophobicContact CE-CG1 4.22Å; M336-I364 HydrophobicContact CG-CB 4.43Å; M336-I364 HydrophobicContact CG-CD1 4.42Å; M336-I364 HydrophobicContact CG-CG1 4.02Å; M336-I364 HydrophobicContact CG-CG2 4.06Å; M336-I364 HydrophobicContact SD-CD1 4.34Å; M336-F377 HydrophobicContact CE-CE2 4.04Å
337D80.2Confident78.5Confident80 Ų8076.3 Ų76.343%0.42839%0.394SS..EExtended strand (participates in β ladder)trans-129.3143.7170.1-173.430.1000108.5Q363D337-Q363 PolarHBondContact N-O 3.44Å; D337-Q363 PolarHBondContact O-N 3.07Å
338W81.4Confident77.9Confident67 Ų6782 Ų8225%0.25441%0.414SS..EExtended strand (participates in β ladder)trans-144.8141.8175.660.976.4000112.3Q322 L325 M336 Y360 D361 L362Q322-W338 HydrophobicContact CG-CZ2 4.34Å; L325-W338 HydrophobicContact CB-CZ3 4.39Å; M336-W338 HydrophobicContact CB-CE3 4.5Å; M336-W338 HydrophobicContact CB-CZ3 4.35Å; W338-Y360 AromaticContact CD1-CD1 3.97Å; W338-D361 WeakPolarHBondContact CA-O 3.29Å; W338-L362 HydrophobicContact CB-CB 4.4Å; W338-L362 HydrophobicContact CB-CD1 3.95Å; W338-L362 HydrophobicContact CE3-CD1 3.82Å
339Q77.9Confident77.1Confident81 Ų8187.5 Ų87.538%0.37944%0.444SS..EExtended strand (participates in β ladder)trans-130.5137.5-179.7-67-179.25.700110.5V341 Y360 D361 T648Q339-V341 PolarHBondContact O-N 2.83Å; Q339-Y360 CarbonylContact O-C 3.57Å; Q339-Y360 WeakPolarHBondContact O-CA 3.34Å; Q339-Y360 WeakPolarHBondContact O-CB 3.31Å; Q339-D361 PolarHBondContact N-O 2.94Å; Q339-D361 PolarHBondContact O-N 2.92Å; Q339-T648 PolarHBondContact NE2-OG1 3.16Å
340E77.5Confident75.9Confident100 Ų10089 Ų8947%0.46746%0.462SS..EExtended strand (participates in β ladder)trans-67.6127.2176.7-171.7170.1138.400109.4K358 Y360 R406E340-K358 VanDerWaalsContact CD-CD 3.43Å; E340-K358 HydrophobicContact CG-CD 4.27Å; E340-K358 WeakPolarHBondContact OE1-CD 3.25Å; E340-K358 WeakPolarHBondContact OE1-CE 3.38Å; E340-K358 IonicContact OE1-NZ 3.3Å; E340-K358 PolarHBondContact OE1-NZ 2.97Å; E340-K358 IonicContact OE2-NZ 3.96Å; E340-K358 PolarHBondContact OE2-NZ 2.55Å; E340-Y360 VanDerWaalsContact CA-CD1 3.48Å; E340-Y360 HydrophobicContact CB-CD1 3.93Å; E340-Y360 HydrophobicContact CB-CE1 3.56Å; E340-Y360 HydrophobicContact CG-CE1 4.07Å; E340-Y360 PolarHBondContact OE2-OH 2.88Å; E340-R406 IonicContact OE1-NH2 3.86Å; E340-R406 IonicContact OE2-CZ 3.77Å; E340-R406 IonicContact OE2-NH2 3.74Å; E340-R406 PolarHBondContact OE2-NH2 3.41Å
341V74.3Confident75Confident50 Ų5084.1 Ų84.130%0.30345%0.45SS..EExtended strand (participates in β ladder)trans-102.3135.9178.3-173.40000108.6Q339 N343 E359 D361Q339-V341 PolarHBondContact O-N 2.83Å; V341-N343 PolarHBondContact O-N 3.2Å; V341-E359 HydrophobicContact CB-CB 4.46Å; V341-E359 PolarHBondContact N-O 2.94Å; V341-D361 HydrophobicContact CG2-CB 3.95Å; V341-D361 VanDerWaalsContact CG2-CG 3.46Å; V341-D361 WeakPolarHBondContact CG2-OD2 3.43Å
342S70.7Confident74.2Confident100 Ų10084.5 Ų84.570%0.69945%0.449SS*.  trans-68105.8174.3-179.90000109.8
343N72.1Confident73.6Confident16 Ų1684 Ų849%0.08645%0.447CS..  trans-99.631.1-179.963.9-13.2000113.1V341 F345 P355 W357 K358 E359V341-N343 PolarHBondContact O-N 3.2Å; N343-F345 VanDerWaalsContact O-CD2 3.23Å; N343-F345 WeakPolarHBondContact O-CD2 3.3Å; N343-F345 WeakPolarHBondContact O-CE2 3.06Å; N343-P355 HydrophobicContact CB-CG 4.12Å; N343-P355 WeakPolarHBondContact ND2-CG 3.47Å; N343-P355 WeakPolarHBondContact O-CD 3.46Å; N343-P355 VanDerWaalsContact O-CG 3.26Å; N343-P355 WeakPolarHBondContact O-CG 3.34Å; N343-W357 VanDerWaalsContact ND2-CD1 3.25Å; N343-W357 PolarHBondContact ND2-NE1 3.34Å; N343-W357 PolarHBondContact ND2-O 3.17Å; N343-K358 WeakPolarHBondContact ND2-CA 3.36Å; N343-E359 HydrophobicContact CB-CB 4.08Å; N343-E359 HydrophobicContact CB-CG 4Å; N343-E359 PolarHBondContact ND2-N 3.37Å
344S71.8Confident73Confident49 Ų4979.7 Ų79.734%0.34343%0.426SS..  trans-70.5130176.559.50000111.5
345F69.9Low72.6Confident82 Ų8279.1 Ų79.136%0.3642%0.423SS..EExtended strand (participates in β ladder)trans-96.7158.8172.3-61.8-89.1000109.8I211 N343 T352 I353 P355 W357I211-F345 HydrophobicContact CD1-CB 4.32Å; I211-F345 HydrophobicContact CD1-CD2 3.73Å; I211-F345 HydrophobicContact CD1-CE2 4.42Å; I211-F345 HydrophobicContact CD1-CG 4.21Å; I211-F345 HydrophobicContact CG1-CD2 4.46Å; I211-F345 HydrophobicContact CG2-CD2 3.9Å; I211-F345 HydrophobicContact CG2-CE1 4.46Å; I211-F345 HydrophobicContact CG2-CE2 3.61Å; I211-F345 HydrophobicContact CG2-CG 4.45Å; I211-F345 HydrophobicContact CG2-CZ 3.92Å; N343-F345 VanDerWaalsContact O-CD2 3.23Å; N343-F345 WeakPolarHBondContact O-CD2 3.3Å; N343-F345 WeakPolarHBondContact O-CE2 3.06Å; F345-T352 CarbonylContact O-C 3.45Å; F345-T352 VanDerWaalsContact O-CA 3.31Å; F345-T352 WeakPolarHBondContact O-CA 3.27Å; F345-I353 PolarHBondContact N-O 3.27Å; F345-I353 PolarHBondContact O-N 3.4Å; F345-P355 HydrophobicContact CD2-CB 4.33Å; F345-P355 HydrophobicContact CD2-CG 4.2Å; F345-P355 HydrophobicContact CE2-CB 4Å; F345-P355 HydrophobicContact CE2-CG 3.85Å; F345-W357 HydrophobicContact CE2-CZ2 4.5Å
346T66.6Low71.9Confident101 Ų10173.8 Ų73.862%0.6241%0.405SS*.EExtended strand (participates in β ladder)trans-113.4127.1169.5-7.10000107.3N351T346-N351 VanDerWaalsContact CA-O 3.31Å; T346-N351 WeakPolarHBondContact CA-O 3.16Å
347D70.4Confident71.5Confident46 Ų4672.2 Ų72.225%0.24640%0.397CS..  trans-70.9175.8172.36319.7000112.2D349 G350 N351 I353D347-D349 PolarHBondContact O-N 3.26Å; D347-D349 VanDerWaalsContact O-N 3.16Å; D347-D349 VanDerWaalsContact OD1-C 3.3Å; D347-D349 WeakPolarHBondContact OD1-CA 3.47Å; D347-D349 WeakPolarHBondContact OD1-CB 3.2Å; D347-D349 PolarHBondContact OD1-N 2.8Å; D347-G350 PolarHBondContact O-N 3.39Å; D347-G350 VanDerWaalsContact O-N 3.09Å; D347-G350 PolarHBondContact OD1-N 2.91Å; D347-N351 PolarHBondContact N-O 2.89Å; D347-N351 PolarHBondContact OD1-N 3.09Å; D347-N351 PolarHBondContact OD1-ND2 2.98Å; D347-N351 WeakPolarHBondContact OD2-CB 3.41Å; D347-N351 PolarHBondContact OD2-ND2 2.68Å; D347-I353 HydrophobicContact CB-CD1 3.64Å; D347-I353 HydrophobicContact CB-CG1 4.35Å
348E71.9Confident71.1Confident206 Ų20671 Ų7196%0.96339%0.388SS*.THydrogen-bonded Turntrans-59.8-20.4176.3-62.9-175160.500113
349D65.9Low70.8Confident144 Ų14469.1 Ų69.177%0.7738%0.382SS*.THydrogen-bonded Turntrans-93.8-1.9179.7-66.6-43.9000113D347D347-D349 PolarHBondContact O-N 3.26Å; D347-D349 VanDerWaalsContact O-N 3.16Å; D347-D349 VanDerWaalsContact OD1-C 3.3Å; D347-D349 WeakPolarHBondContact OD1-CA 3.47Å; D347-D349 WeakPolarHBondContact OD1-CB 3.2Å; D347-D349 PolarHBondContact OD1-N 2.8Å
350G59.8Low70.6Confident50 Ų5066 Ų6652%0.51537%0.367SS..SBendtrans83.510.2-179.800000115D347D347-G350 PolarHBondContact O-N 3.39Å; D347-G350 VanDerWaalsContact O-N 3.09Å; D347-G350 PolarHBondContact OD1-N 2.91Å
351N65.2Low70.5Confident94 Ų9464.7 Ų64.750%0.50336%0.363SS..  trans-80.1136.8173.6-48.5-61.4000110.5T346 D347 I353T346-N351 VanDerWaalsContact CA-O 3.31Å; T346-N351 WeakPolarHBondContact CA-O 3.16Å; D347-N351 PolarHBondContact N-O 2.89Å; D347-N351 PolarHBondContact OD1-N 3.09Å; D347-N351 PolarHBondContact OD1-ND2 2.98Å; D347-N351 WeakPolarHBondContact OD2-CB 3.41Å; D347-N351 PolarHBondContact OD2-ND2 2.68Å; N351-I353 PolarHBondContact O-N 3.4Å
352T68.3Low70.9Confident97 Ų9762.3 Ų62.360%0.59535%0.349SS*.EExtended strand (participates in β ladder)trans-76.3110.9174.3-50.20000110.2F345F345-T352 CarbonylContact O-C 3.45Å; F345-T352 VanDerWaalsContact O-CA 3.31Å; F345-T352 WeakPolarHBondContact O-CA 3.27Å
353I68.9Low71.5Confident15 Ų1561.7 Ų61.78%0.07734%0.335CS..EExtended strand (participates in β ladder)trans-93.7128.6172.2-53.6162.5000108.6A207 E208 I211 F345 D347 N351A207-I353 HydrophobicContact CB-CD1 3.49Å; A207-I353 VanDerWaalsContact CB-CD1 3.49Å; A207-I353 HydrophobicContact CB-CG1 4.16Å; E208-I353 HydrophobicContact CG-CG2 3.86Å; I211-I353 HydrophobicContact CD1-CB 4.11Å; I211-I353 HydrophobicContact CD1-CG2 3.51Å; F345-I353 PolarHBondContact N-O 3.27Å; F345-I353 PolarHBondContact O-N 3.4Å; D347-I353 HydrophobicContact CB-CD1 3.64Å; D347-I353 HydrophobicContact CB-CG1 4.35Å; N351-I353 PolarHBondContact O-N 3.4Å
354Q71.4Confident72Confident88 Ų8861 Ų6141%0.41133%0.331SS..PPolyproline II helixtrans-94.6125.7169-69.9-137.8-16.600110
355P73.7Confident72.6Confident1 Ų162.1 Ų62.11%0.00633%0.333CS..PPolyproline II helixtrans-67.3159.7178.231.4-37.5000111.3I211 N343 F345 W357I211-P355 HydrophobicContact CD1-CB 4.38Å; N343-P355 HydrophobicContact CB-CG 4.12Å; N343-P355 WeakPolarHBondContact ND2-CG 3.47Å; N343-P355 WeakPolarHBondContact O-CD 3.46Å; N343-P355 VanDerWaalsContact O-CG 3.26Å; N343-P355 WeakPolarHBondContact O-CG 3.34Å; F345-P355 HydrophobicContact CD2-CB 4.33Å; F345-P355 HydrophobicContact CD2-CG 4.2Å; F345-P355 HydrophobicContact CE2-CB 4Å; F345-P355 HydrophobicContact CE2-CG 3.85Å; P355-W357 HydrophobicContact CB-CD2 3.84Å; P355-W357 HydrophobicContact CB-CE3 4.07Å; P355-W357 HydrophobicContact CB-CG 4.5Å; P355-W357 HydrophobicContact CB-CH2 3.86Å; P355-W357 HydrophobicContact CB-CZ2 3.63Å; P355-W357 HydrophobicContact CB-CZ3 4.08Å; P355-W357 HydrophobicContact CG-CD2 4.46Å; P355-W357 HydrophobicContact CG-CZ2 4.38Å; P355-W357 PolarHBondContact O-N 3.39Å; P355-W357 VanDerWaalsContact O-N 3.09Å
356P69Low73.3Confident47 Ų4758.8 Ų58.831%0.30532%0.319SS..SBendtrans-72.43.9179.826.9-32.3000114.3K408P356-K408 VanDerWaalsContact O-CB 3.23Å; P356-K408 WeakPolarHBondContact O-CB 3.41Å; P356-K408 PolarHBondContact O-N 2.88Å
357W74.9Confident74.2Confident3 Ų358.2 Ų58.21%0.01132%0.316CS..EExtended strand (participates in β ladder)trans-124167.6173.261.587.8000111.4I211 P213 W215 V312 N343 F345 P355 E359 R406I211-W357 HydrophobicContact CB-CH2 4.16Å; I211-W357 HydrophobicContact CG2-CH2 3.56Å; I211-W357 HydrophobicContact CG2-CZ2 3.89Å; P213-W357 VanDerWaalsContact CA-CH2 3.46Å; P213-W357 HydrophobicContact CB-CE3 4.32Å; P213-W357 HydrophobicContact CB-CH2 3.73Å; P213-W357 HydrophobicContact CB-CZ2 3.94Å; P213-W357 HydrophobicContact CB-CZ3 3.93Å; P213-W357 HydrophobicContact CG-CE3 4.2Å; P213-W357 HydrophobicContact CG-CH2 3.73Å; P213-W357 HydrophobicContact CG-CZ2 4.44Å; P213-W357 HydrophobicContact CG-CZ3 3.59Å; W215-W357 HydrophobicContact CH2-CB 3.74Å; W215-W357 AromaticContact CH2-CD1 3.85Å; W215-W357 AromaticContact CH2-CD2 3.31Å; W215-W357 HydrophobicContact CH2-CD2 3.31Å; W215-W357 AromaticContact CH2-CE2 3.86Å; W215-W357 AromaticContact CH2-CE3 3.63Å; W215-W357 HydrophobicContact CH2-CE3 3.63Å; W215-W357 AromaticContact CH2-CG 3.35Å; W215-W357 HydrophobicContact CH2-CG 3.35Å; W215-W357 HydrophobicContact CH2-CZ3 4.41Å; W215-W357 HydrophobicContact CZ3-CB 4.15Å; W215-W357 AromaticContact CZ3-CD1 3.38Å; W215-W357 AromaticContact CZ3-CD2 3.48Å; W215-W357 HydrophobicContact CZ3-CD2 3.48Å; W215-W357 VanDerWaalsContact CZ3-CD2 3.48Å; W215-W357 AromaticContact CZ3-CE2 3.54Å; W215-W357 HydrophobicContact CZ3-CE3 4.21Å; W215-W357 AromaticContact CZ3-CG 3.41Å; W215-W357 HydrophobicContact CZ3-CG 3.41Å; W215-W357 VanDerWaalsContact CZ3-CG 3.41Å; W215-W357 HydrophobicContact CZ3-CZ2 4.32Å; W215-W357 AromaticContact CZ3-NE1 3.44Å; V312-W357 HydrophobicContact CG1-CB 4.41Å; V312-W357 HydrophobicContact CG1-CE3 4.18Å; V312-W357 HydrophobicContact CG2-CE3 4.01Å; V312-W357 HydrophobicContact CG2-CZ3 4.2Å; N343-W357 VanDerWaalsContact ND2-CD1 3.25Å; N343-W357 PolarHBondContact ND2-NE1 3.34Å; N343-W357 PolarHBondContact ND2-O 3.17Å; F345-W357 HydrophobicContact CE2-CZ2 4.5Å; P355-W357 HydrophobicContact CB-CD2 3.84Å; P355-W357 HydrophobicContact CB-CE3 4.07Å; P355-W357 HydrophobicContact CB-CG 4.5Å; P355-W357 HydrophobicContact CB-CH2 3.86Å; P355-W357 HydrophobicContact CB-CZ2 3.63Å; P355-W357 HydrophobicContact CB-CZ3 4.08Å; P355-W357 HydrophobicContact CG-CD2 4.46Å; P355-W357 HydrophobicContact CG-CZ2 4.38Å; P355-W357 PolarHBondContact O-N 3.39Å; P355-W357 VanDerWaalsContact O-N 3.09Å; W357-E359 PolarHBondContact NE1-OE1 2.91Å; W357-R406 CarbonylContact C-O 3.6Å; W357-R406 WeakPolarHBondContact CA-O 3.36Å; W357-R406 WeakPolarHBondContact CB-O 3.34Å
358K71.6Confident74.9Confident53 Ų5358.3 Ų58.323%0.2332%0.316CS..EExtended strand (participates in β ladder)trans-112.5147.2164.1-49.4-147.4-163.6172.40111.3E340 N343 Y360 A405 R406E340-K358 VanDerWaalsContact CD-CD 3.43Å; E340-K358 HydrophobicContact CG-CD 4.27Å; E340-K358 WeakPolarHBondContact OE1-CD 3.25Å; E340-K358 WeakPolarHBondContact OE1-CE 3.38Å; E340-K358 IonicContact OE1-NZ 3.3Å; E340-K358 PolarHBondContact OE1-NZ 2.97Å; E340-K358 IonicContact OE2-NZ 3.96Å; E340-K358 PolarHBondContact OE2-NZ 2.55Å; N343-K358 WeakPolarHBondContact ND2-CA 3.36Å; K358-Y360 HydrophobicContact CB-CE2 4.16Å; K358-A405 WeakPolarHBondContact O-CA 3.38Å; K358-R406 HydrophobicContact CB-CG 3.8Å; K358-R406 HydrophobicContact CG-CG 4.19Å; K358-R406 VanDerWaalsContact CG-NE 3.34Å; K358-R406 PolarHBondContact N-O 3.28Å; K358-R406 VanDerWaalsContact N-O 3.11Å; K358-R406 PolarHBondContact O-N 3.41Å
359E74.2Confident75.4Confident29 Ų2950.4 Ų50.414%0.13628%0.283CS..EExtended strand (participates in β ladder)trans-100.3143.3175.8-73.6166-155.200110.3P214 V341 N343 W357 M403 L404P214-E359 WeakPolarHBondContact CG-OE1 3.25Å; V341-E359 HydrophobicContact CB-CB 4.46Å; V341-E359 PolarHBondContact N-O 2.94Å; N343-E359 HydrophobicContact CB-CB 4.08Å; N343-E359 HydrophobicContact CB-CG 4Å; N343-E359 PolarHBondContact ND2-N 3.37Å; W357-E359 PolarHBondContact NE1-OE1 2.91Å; E359-M403 HydrophobicContact CB-CG 4.42Å; E359-M403 HydrophobicContact CG-CG 4.08Å; E359-M403 HydrophobicContact CG-SD 4.05Å; E359-L404 CarbonylContact C-O 3.54Å; E359-L404 VanDerWaalsContact CA-O 3.25Å; E359-L404 WeakPolarHBondContact CA-O 3.15Å
360Y75Confident76.1Confident14 Ų1443.7 Ų43.76%0.05525%0.247CC..EExtended strand (participates in β ladder)trans-128.4143.2167.4-55.2-108.8000110.2W338 Q339 E340 K358 M403 L404 R406W338-Y360 AromaticContact CD1-CD1 3.97Å; Q339-Y360 CarbonylContact O-C 3.57Å; Q339-Y360 WeakPolarHBondContact O-CA 3.34Å; Q339-Y360 WeakPolarHBondContact O-CB 3.31Å; E340-Y360 VanDerWaalsContact CA-CD1 3.48Å; E340-Y360 HydrophobicContact CB-CD1 3.93Å; E340-Y360 HydrophobicContact CB-CE1 3.56Å; E340-Y360 HydrophobicContact CG-CE1 4.07Å; E340-Y360 PolarHBondContact OE2-OH 2.88Å; K358-Y360 HydrophobicContact CB-CE2 4.16Å; Y360-M403 CarbonylContact O-C 3.51Å; Y360-M403 WeakPolarHBondContact O-CA 3.39Å; Y360-L404 HydrophobicContact CD2-CB 4.08Å; Y360-L404 HydrophobicContact CD2-CD2 3.77Å; Y360-L404 HydrophobicContact CD2-CG 4.27Å; Y360-L404 HydrophobicContact CE2-CD2 4.46Å; Y360-L404 HydrophobicContact CG-CB 4.27Å; Y360-L404 HydrophobicContact CG-CD2 4Å; Y360-L404 PolarHBondContact N-O 2.99Å; Y360-L404 PolarHBondContact O-N 2.72Å; Y360-R406 HydrophobicContact CE2-CG 3.99Å; Y360-R406 PolarHBondContact OH-NE 2.95Å; Y360-R406 PolarHBondContact OH-NH1 3.1Å; Y360-R406 VanDerWaalsContact OH-NH1 3.07Å; Y360-R406 PolarHBondContact OH-NH2 3.29Å
361D75.2Confident77.2Confident73 Ų7345.6 Ų45.639%0.3924%0.242SC..EExtended strand (participates in β ladder)trans-83.7112.8163-79-25.3000107.9W338 Q339 V341W338-D361 WeakPolarHBondContact CA-O 3.29Å; Q339-D361 PolarHBondContact N-O 2.94Å; Q339-D361 PolarHBondContact O-N 2.92Å; V341-D361 HydrophobicContact CG2-CB 3.95Å; V341-D361 VanDerWaalsContact CG2-CG 3.46Å; V341-D361 WeakPolarHBondContact CG2-OD2 3.43Å
362L82.3Confident78.1Confident0 Ų044.6 Ų44.60%024%0.235CC..EExtended strand (participates in β ladder)trans-100123.9174.8172.967.5000109.4M336 W338 I364 F377 V382 T401 A402M336-L362 HydrophobicContact CB-CD1 4.42Å; M336-L362 HydrophobicContact CE-CD1 3.69Å; M336-L362 HydrophobicContact CE-CD2 4Å; M336-L362 HydrophobicContact CE-CG 4.38Å; W338-L362 HydrophobicContact CB-CB 4.4Å; W338-L362 HydrophobicContact CB-CD1 3.95Å; W338-L362 HydrophobicContact CE3-CD1 3.82Å; L362-I364 HydrophobicContact CD2-CD1 4.26Å; L362-I364 HydrophobicContact CD2-CG1 4.4Å; L362-I364 HydrophobicContact CG-CG1 4.18Å; L362-F377 HydrophobicContact CD2-CZ 4.17Å; L362-V382 HydrophobicContact CD2-CG1 3.98Å; L362-V382 HydrophobicContact CD2-CG2 4.32Å; L362-T401 CarbonylContact O-C 3.53Å; L362-T401 WeakPolarHBondContact O-CA 3.48Å; L362-A402 HydrophobicContact CB-CB 4.07Å; L362-A402 HydrophobicContact CD2-CB 4.21Å; L362-A402 HydrophobicContact CG-CB 4.47Å; L362-A402 PolarHBondContact N-O 3.28Å; L362-A402 PolarHBondContact O-N 3.01Å
363Q82.7Confident78.6Confident87 Ų8740 Ų4041%0.40721%0.206SC..EExtended strand (participates in β ladder)trans-111128.2173.1-64.8-167.511.500111.3M336 D337 F400M336-Q363 VanDerWaalsContact CA-O 3.32Å; M336-Q363 WeakPolarHBondContact CA-O 3.35Å; D337-Q363 PolarHBondContact N-O 3.44Å; D337-Q363 PolarHBondContact O-N 3.07Å; Q363-F400 CarbonylContact C-O 3.48Å; Q363-F400 VanDerWaalsContact CA-O 3.25Å; Q363-F400 WeakPolarHBondContact CA-O 3.16Å
364I84.1Confident79.2Confident1 Ų140.1 Ų40.11%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-120120.5175.9-46.8-174.8000109.3L334 K335 M336 L362 F377 F384 Q399 F400L334-I364 HydrophobicContact CB-CG2 4.02Å; L334-I364 HydrophobicContact CD1-CG2 4.13Å; L334-I364 HydrophobicContact CD2-CG2 4.14Å; L334-I364 HydrophobicContact CG-CG2 4.31Å; K335-I364 WeakPolarHBondContact O-CA 3.45Å; M336-I364 HydrophobicContact CE-CD1 3.95Å; M336-I364 HydrophobicContact CE-CG1 4.22Å; M336-I364 HydrophobicContact CG-CB 4.43Å; M336-I364 HydrophobicContact CG-CD1 4.42Å; M336-I364 HydrophobicContact CG-CG1 4.02Å; M336-I364 HydrophobicContact CG-CG2 4.06Å; M336-I364 HydrophobicContact SD-CD1 4.34Å; L362-I364 HydrophobicContact CD2-CD1 4.26Å; L362-I364 HydrophobicContact CD2-CG1 4.4Å; L362-I364 HydrophobicContact CG-CG1 4.18Å; I364-F377 HydrophobicContact CD1-CD2 4.07Å; I364-F377 HydrophobicContact CD1-CE2 3.53Å; I364-F377 HydrophobicContact CD1-CZ 4.24Å; I364-F384 HydrophobicContact CD1-CE1 3.93Å; I364-F384 HydrophobicContact CD1-CZ 3.85Å; I364-Q399 CarbonylContact O-C 3.58Å; I364-Q399 VanDerWaalsContact O-CA 3.29Å; I364-Q399 WeakPolarHBondContact O-CA 2.99Å; I364-F400 HydrophobicContact CB-CB 4.13Å; I364-F400 HydrophobicContact CB-CD2 4.18Å; I364-F400 HydrophobicContact CG1-CB 4.45Å; I364-F400 PolarHBondContact N-O 3.1Å; I364-F400 PolarHBondContact O-N 2.98Å
365L83.9Confident79.6Confident73 Ų7342.7 Ų42.738%0.38222%0.222SC..EExtended strand (participates in β ladder)trans-107120.5175-161.880.3000110.5K335 R397 Y398 Q399K335-L365 HydrophobicContact CB-CB 4.43Å; K335-L365 PolarHBondContact N-O 2.86Å; K335-L365 PolarHBondContact O-N 2.84Å; L365-R397 HydrophobicContact CD1-CG 4.28Å; L365-R397 HydrophobicContact CG-CG 4.42Å; L365-Y398 WeakPolarHBondContact CA-O 3.34Å; L365-Q399 HydrophobicContact CD1-CB 4.07Å; L365-Q399 HydrophobicContact CD1-CG 4.39Å
366T85Confident79.9Confident12 Ų1247.9 Ų47.97%0.07425%0.246CC..EExtended strand (participates in β ladder)trans-151.4158-177.8-174.40000113.3L334 L368 V373 Y398 F400L334-T366 VanDerWaalsContact CD2-CB 3.48Å; L334-T366 HydrophobicContact CD2-CG2 3.98Å; L334-T366 WeakPolarHBondContact CD2-OG1 3.44Å; T366-L368 HydrophobicContact CG2-CB 4.43Å; T366-L368 WeakPolarHBondContact OG1-CB 3.46Å; T366-L368 PolarHBondContact OG1-N 2.86Å; T366-V373 HydrophobicContact CG2-CG2 3.95Å; T366-Y398 PolarHBondContact N-O 3.29Å; T366-Y398 PolarHBondContact O-N 3.42Å; T366-F400 HydrophobicContact CG2-CD2 4.42Å; T366-F400 HydrophobicContact CG2-CE2 3.81Å
367T85.1Confident80.3Confident89 Ų8945.7 Ų45.755%0.54623%0.232SC..SBendtrans-97.8-3.7168.256.20000112.6
368L84.6Confident80.3Confident49 Ų4950.5 Ų50.526%0.25727%0.266SS..SBendtrans-68.1132.8175.1-66.2173.4000109.5M332 L334 T366 V373 Y398M332-L368 HydrophobicContact CE-CD1 3.86Å; L334-L368 HydrophobicContact CD2-CD1 4.28Å; T366-L368 HydrophobicContact CG2-CB 4.43Å; T366-L368 WeakPolarHBondContact OG1-CB 3.46Å; T366-L368 PolarHBondContact OG1-N 2.86Å; L368-V373 HydrophobicContact CB-CG2 4.12Å; L368-Y398 WeakPolarHBondContact O-CD2 3.48Å
369P82.1Confident80.7Confident40 Ų4049 Ų4926%0.2626%0.26SS..  trans-52.9141.8173.3-26.734.8000111.8H371 Q372 V373P369-H371 WeakPolarHBondContact CB-CE1 3.41Å; P369-H371 PolarHBondContact O-N 3.16Å; P369-H371 VanDerWaalsContact O-N 3.1Å; P369-Q372 HydrophobicContact CB-CG 4.47Å; P369-Q372 WeakPolarHBondContact O-CB 3.41Å; P369-Q372 PolarHBondContact O-N 3.41Å; P369-V373 PolarHBondContact O-N 3.33Å
370A82Confident80.8Confident3 Ų350.4 Ų50.43%0.02527%0.271CS..Hα-helixtrans-54.3-38.2-173.900000114.2I225 W232 Q372 V373 A374 Y398 F400I225-A370 VanDerWaalsContact CG2-C 3.49Å; I225-A370 HydrophobicContact CG2-CB 3.72Å; I225-A370 WeakPolarHBondContact CG2-O 3.47Å; W232-A370 HydrophobicContact CH2-CB 4.46Å; W232-A370 HydrophobicContact CZ3-CB 3.78Å; A370-Q372 VanDerWaalsContact C-N 3.29Å; A370-Q372 PolarHBondContact O-N 3.42Å; A370-V373 WeakPolarHBondContact O-CB 3.3Å; A370-V373 PolarHBondContact O-N 3.42Å; A370-V373 VanDerWaalsContact O-N 3.12Å; A370-A374 PolarHBondContact O-N 3.29Å; A370-Y398 HydrophobicContact CB-CD1 4.11Å; A370-Y398 HydrophobicContact CB-CE1 4.03Å; A370-F400 HydrophobicContact CB-CE1 4.06Å; A370-F400 HydrophobicContact CB-CZ 3.76Å
371H81.9Confident80.9Confident89 Ų8950 Ų5041%0.41227%0.27SS..Hα-helixtrans-60.5-34.9176.467.5-90.2000113.3P369 A374 E375P369-H371 WeakPolarHBondContact CB-CE1 3.41Å; P369-H371 PolarHBondContact O-N 3.16Å; P369-H371 VanDerWaalsContact O-N 3.1Å; H371-A374 WeakPolarHBondContact O-CB 3.25Å; H371-A374 PolarHBondContact O-N 2.52Å; H371-E375 WeakPolarHBondContact O-CG 3.29Å; H371-E375 PolarHBondContact O-N 3.46Å
372Q83.7Confident81.3Confident73 Ų7346.5 Ų46.534%0.34125%0.252SS..Hα-helixtrans-70.9-34.3176.5-64.5-173.1-7.800111.8P369 A370 H376P369-Q372 HydrophobicContact CB-CG 4.47Å; P369-Q372 WeakPolarHBondContact O-CB 3.41Å; P369-Q372 PolarHBondContact O-N 3.41Å; A370-Q372 VanDerWaalsContact C-N 3.29Å; A370-Q372 PolarHBondContact O-N 3.42Å; Q372-H376 PolarHBondContact O-ND1 2.95Å
373V80.3Confident81.5Confident0 Ų046.8 Ų46.80%025%0.253CS..Hα-helixtrans-63.6-47.1171.4-176.40000109.5T366 L368 P369 A370 E375 H376 F377 F400T366-V373 HydrophobicContact CG2-CG2 3.95Å; L368-V373 HydrophobicContact CB-CG2 4.12Å; P369-V373 PolarHBondContact O-N 3.33Å; A370-V373 WeakPolarHBondContact O-CB 3.3Å; A370-V373 PolarHBondContact O-N 3.42Å; A370-V373 VanDerWaalsContact O-N 3.12Å; V373-E375 VanDerWaalsContact C-N 3.32Å; V373-E375 PolarHBondContact O-N 3.22Å; V373-H376 PolarHBondContact O-N 3.18Å; V373-F377 HydrophobicContact CG1-CB 4.21Å; V373-F377 WeakPolarHBondContact O-CB 3.25Å; V373-F377 PolarHBondContact O-N 2.94Å; V373-F400 HydrophobicContact CB-CZ 4.19Å; V373-F400 HydrophobicContact CG1-CZ 4.37Å; V373-F400 HydrophobicContact CG2-CE2 4.16Å; V373-F400 HydrophobicContact CG2-CZ 4.11Å
374A79.5Confident81.7Confident19 Ų1942.7 Ų42.716%0.15723%0.233CC..Hα-helixtrans-60.2-36.6178.400000114I225 A370 H371 H376I225-A374 HydrophobicContact CB-CB 3.89Å; I225-A374 HydrophobicContact CD1-CB 3.63Å; I225-A374 HydrophobicContact CG1-CB 4.33Å; I225-A374 HydrophobicContact CG2-CB 3.77Å; A370-A374 PolarHBondContact O-N 3.29Å; H371-A374 WeakPolarHBondContact O-CB 3.25Å; H371-A374 PolarHBondContact O-N 2.52Å; A374-H376 PolarHBondContact O-N 3.44Å
375E80.4Confident81.7Confident141 Ų14145.1 Ų45.166%0.65925%0.246SC*.Hα-helixtrans-64.2-28.7179.3-79173.7-179.800113.1H371 V373H371-E375 WeakPolarHBondContact O-CG 3.29Å; H371-E375 PolarHBondContact O-N 3.46Å; V373-E375 VanDerWaalsContact C-N 3.32Å; V373-E375 PolarHBondContact O-N 3.22Å
376H80.1Confident82Confident111 Ų11142.3 Ų42.351%0.51423%0.232SC..Hα-helixtrans-107.9-18.1-177.1-62.883.5000112.9L328 M332 Q372 V373 A374L328-H376 WeakPolarHBondContact CD1-O 3.44Å; M332-H376 HydrophobicContact CE-CB 3.75Å; M332-H376 HydrophobicContact CG-CB 4.37Å; M332-H376 HydrophobicContact SD-CB 3.36Å; M332-H376 WeakPolarHBondContact SD-CB 3.36Å; Q372-H376 PolarHBondContact O-ND1 2.95Å; V373-H376 PolarHBondContact O-N 3.18Å; A374-H376 PolarHBondContact O-N 3.44Å
377F77.8Confident82.3Confident1 Ų141.7 Ų41.70%0.00423%0.229CC..  trans-100.892.8-177-159.6-64.5000110.2T221 L325 L328 M336 L362 I364 V373 E379 V382 F384T221-F377 HydrophobicContact CG2-CB 4.45Å; T221-F377 HydrophobicContact CG2-CD1 3.91Å; T221-F377 VanDerWaalsContact CG2-O 3.3Å; T221-F377 WeakPolarHBondContact CG2-O 3.12Å; L325-F377 HydrophobicContact CD2-CE2 4.43Å; L325-F377 HydrophobicContact CD2-CZ 3.94Å; L328-F377 HydrophobicContact CD2-CB 4.24Å; L328-F377 HydrophobicContact CD2-CD2 3.17Å; L328-F377 HydrophobicContact CD2-CE2 3.44Å; L328-F377 VanDerWaalsContact CD2-CE2 3.44Å; L328-F377 HydrophobicContact CD2-CG 3.76Å; L328-F377 HydrophobicContact CD2-CZ 4.23Å; L328-F377 HydrophobicContact CG-CD2 4.37Å; M336-F377 HydrophobicContact CE-CE2 4.04Å; L362-F377 HydrophobicContact CD2-CZ 4.17Å; I364-F377 HydrophobicContact CD1-CD2 4.07Å; I364-F377 HydrophobicContact CD1-CE2 3.53Å; I364-F377 HydrophobicContact CD1-CZ 4.24Å; V373-F377 HydrophobicContact CG1-CB 4.21Å; V373-F377 WeakPolarHBondContact O-CB 3.25Å; V373-F377 PolarHBondContact O-N 2.94Å; F377-E379 HydrophobicContact CE1-CB 4.09Å; F377-V382 HydrophobicContact CE1-CB 3.65Å; F377-V382 HydrophobicContact CE1-CG1 3.58Å; F377-V382 HydrophobicContact CE1-CG2 3.77Å; F377-V382 HydrophobicContact CZ-CB 4.13Å; F377-V382 HydrophobicContact CZ-CG1 3.84Å; F377-V382 HydrophobicContact CZ-CG2 3.84Å; F377-F384 HydrophobicContact CD1-CE2 4.26Å; F377-F384 HydrophobicContact CD1-CZ 4.32Å; F377-F384 HydrophobicContact CD2-CZ 4.45Å; F377-F384 HydrophobicContact CE1-CZ 4.3Å; F377-F384 HydrophobicContact CE2-CZ 4.45Å; F377-F384 HydrophobicContact CG-CZ 4.42Å; F377-F384 HydrophobicContact CZ-CZ 4.38Å
378S73.7Confident82.6Confident104 Ų10438.6 Ų38.673%0.72721%0.209SC*.  trans-121.732-179.256.50000113.5P380S378-P380 VanDerWaalsContact O-CD 3.24Å; S378-P380 WeakPolarHBondContact O-CD 3.46Å
379E80.6Confident83Confident22 Ų2237.2 Ų37.210%0.10320%0.201CC..  trans-75.5116.3179.6-171.960.4-121.700111.3L321 R324 F377 S381 V382L321-E379 HydrophobicContact CD1-CG 3.77Å; R324-E379 WeakPolarHBondContact CD-OE2 3.32Å; R324-E379 IonicContact NH1-OE1 2.75Å; R324-E379 PolarHBondContact NH1-OE1 2.75Å; R324-E379 IonicContact NH1-OE2 3.28Å; F377-E379 HydrophobicContact CE1-CB 4.09Å; E379-S381 PolarHBondContact O-N 3.06Å; E379-S381 VanDerWaalsContact O-N 3.15Å; E379-V382 HydrophobicContact CB-CB 4.47Å; E379-V382 HydrophobicContact CB-CG2 3.96Å; E379-V382 HydrophobicContact CG-CG2 3.99Å; E379-V382 PolarHBondContact O-N 3.07Å; E379-V382 VanDerWaalsContact O-N 3.16Å
380P76.8Confident83.4Confident58 Ų5839 Ų3938%0.37721%0.206SC..THydrogen-bonded Turntrans-63.9-21.2-176.7-22.634.8000114.1V310 S378 V382 R383V310-P380 HydrophobicContact CG1-CB 4.35Å; V310-P380 HydrophobicContact CG2-CB 4Å; S378-P380 VanDerWaalsContact O-CD 3.24Å; S378-P380 WeakPolarHBondContact O-CD 3.46Å; P380-V382 VanDerWaalsContact C-N 3.29Å; P380-V382 PolarHBondContact O-N 2.72Å; P380-R383 PolarHBondContact O-NH1 3.47Å; P380-R383 PolarHBondContact O-NH2 3.47Å
381S77.3Confident83.7Confident5 Ų540.8 Ų40.84%0.03522%0.215CC..THydrogen-bonded Turntrans-78.7-8.9179.1-46.50000114.6P316 E379 L404 A405P316-S381 WeakPolarHBondContact CD-OG 3.37Å; P316-S381 WeakPolarHBondContact CG-OG 3.28Å; E379-S381 PolarHBondContact O-N 3.06Å; E379-S381 VanDerWaalsContact O-N 3.15Å; S381-L404 WeakPolarHBondContact O-CA 3.29Å; S381-A405 PolarHBondContact O-N 3.41Å
382V83.7Confident83.7Confident0 Ų039.6 Ų39.60%021%0.209CC..EExtended strand (participates in β ladder)trans-110131.7-175.6-179.50000109.2T221 L325 L362 F377 E379 P380 A402 M403 L404T221-V382 PolarHBondContact OG1-O 2.69Å; L325-V382 HydrophobicContact CD2-CG2 4.12Å; L362-V382 HydrophobicContact CD2-CG1 3.98Å; L362-V382 HydrophobicContact CD2-CG2 4.32Å; F377-V382 HydrophobicContact CE1-CB 3.65Å; F377-V382 HydrophobicContact CE1-CG1 3.58Å; F377-V382 HydrophobicContact CE1-CG2 3.77Å; F377-V382 HydrophobicContact CZ-CB 4.13Å; F377-V382 HydrophobicContact CZ-CG1 3.84Å; F377-V382 HydrophobicContact CZ-CG2 3.84Å; E379-V382 HydrophobicContact CB-CB 4.47Å; E379-V382 HydrophobicContact CB-CG2 3.96Å; E379-V382 HydrophobicContact CG-CG2 3.99Å; E379-V382 PolarHBondContact O-N 3.07Å; E379-V382 VanDerWaalsContact O-N 3.16Å; P380-V382 VanDerWaalsContact C-N 3.29Å; P380-V382 PolarHBondContact O-N 2.72Å; V382-A402 HydrophobicContact CG1-CB 3.54Å; V382-M403 WeakPolarHBondContact CA-O 3.4Å; V382-L404 HydrophobicContact CB-CD1 4.45Å; V382-L404 HydrophobicContact CG2-CD1 3.33Å
383R85.6Confident83.5Confident6 Ų646 Ų462%0.02324%0.239CC..EExtended strand (participates in β ladder)trans-127.7116.5169.9-68.7-67.2177.8-79.8-2.2109.6W215 M218 P219 P380 I385 A402 M403W215-R383 HydrophobicContact CB-CG 3.7Å; M218-R383 HydrophobicContact CB-CB 4.04Å; M218-R383 HydrophobicContact CB-CG 4.03Å; M218-R383 HydrophobicContact SD-CB 3.78Å; M218-R383 HydrophobicContact SD-CG 4.45Å; P219-R383 WeakPolarHBondContact O-CD 3.29Å; P380-R383 PolarHBondContact O-NH1 3.47Å; P380-R383 PolarHBondContact O-NH2 3.47Å; R383-I385 PolarHBondContact O-N 2.88Å; R383-A402 CarbonylContact O-C 3.5Å; R383-A402 WeakPolarHBondContact O-CA 3.48Å; R383-A402 WeakPolarHBondContact O-CB 3.45Å; R383-M403 PolarHBondContact N-O 3.16Å; R383-M403 PolarHBondContact O-N 3.16Å
384F87.2Confident83.3Confident0 Ų049.2 Ų49.20%027%0.272CS..EExtended strand (participates in β ladder)trans-68.8126.9175.1-70.7-58.9000110.7T221 F224 I225 I364 F377 F400 T401 A402T221-F384 HydrophobicContact CG2-CD2 3.53Å; T221-F384 HydrophobicContact CG2-CE2 3.32Å; F224-F384 HydrophobicContact CD1-CB 3.28Å; F224-F384 HydrophobicContact CD1-CD2 4.45Å; F224-F384 HydrophobicContact CD1-CG 4.25Å; F224-F384 HydrophobicContact CE1-CB 3.38Å; F224-F384 HydrophobicContact CE1-CG 4.43Å; F224-F384 HydrophobicContact CG-CB 4.19Å; F224-F384 HydrophobicContact CZ-CB 4.43Å; I225-F384 HydrophobicContact CD1-CD2 3.94Å; I225-F384 HydrophobicContact CD1-CE2 3.81Å; I225-F384 HydrophobicContact CG1-CD2 4.32Å; I364-F384 HydrophobicContact CD1-CE1 3.93Å; I364-F384 HydrophobicContact CD1-CZ 3.85Å; F377-F384 HydrophobicContact CD1-CE2 4.26Å; F377-F384 HydrophobicContact CD1-CZ 4.32Å; F377-F384 HydrophobicContact CD2-CZ 4.45Å; F377-F384 HydrophobicContact CE1-CZ 4.3Å; F377-F384 HydrophobicContact CE2-CZ 4.45Å; F377-F384 HydrophobicContact CG-CZ 4.42Å; F377-F384 HydrophobicContact CZ-CZ 4.38Å; F384-F400 HydrophobicContact CD1-CB 3.65Å; F384-F400 HydrophobicContact CD1-CD1 4.08Å; F384-F400 HydrophobicContact CD1-CG 4.32Å; F384-F400 HydrophobicContact CD2-CD1 4.36Å; F384-F400 HydrophobicContact CE1-CB 3.37Å; F384-F400 AromaticContact CE1-CD1 3.95Å; F384-F400 HydrophobicContact CE1-CD1 3.95Å; F384-F400 AromaticContact CE1-CG 3.95Å; F384-F400 HydrophobicContact CE1-CG 3.95Å; F384-F400 HydrophobicContact CE2-CD1 4.19Å; F384-F400 HydrophobicContact CG-CD1 4.31Å; F384-F400 HydrophobicContact CZ-CB 4.14Å; F384-F400 HydrophobicContact CZ-CD1 4.01Å; F384-F400 HydrophobicContact CZ-CG 4.25Å; F384-T401 CarbonylContact C-O 3.43Å; F384-T401 WeakPolarHBondContact CA-O 3.1Å; F384-A402 HydrophobicContact CD1-CB 3.35Å; F384-A402 HydrophobicContact CE1-CB 3.72Å; F384-A402 HydrophobicContact CG-CB 4.18Å
385I85Confident83.5Confident52 Ų5257.4 Ų57.427%0.26730%0.299SS..EExtended strand (participates in β ladder)trans-90-45.1177.3-59.9162.4000109.4M218 A250 A251 R383 T401 M403M218-I385 HydrophobicContact CE-CG1 4.38Å; M218-I385 HydrophobicContact SD-CG1 4.48Å; A250-I385 WeakPolarHBondContact CA-O 3.28Å; A251-I385 PolarHBondContact N-O 3.09Å; R383-I385 PolarHBondContact O-N 2.88Å; I385-T401 PolarHBondContact N-O 3.44Å; I385-M403 HydrophobicContact CD1-CB 3.96Å; I385-M403 HydrophobicContact CG1-CB 4.31Å
386S90Very high83.8Confident14 Ų1453.4 Ų53.410%0.09828%0.28CS..EExtended strand (participates in β ladder)trans-143.5153.7178.170.70000112.1C249 T401C249-S386 CarbonylContact O-C 3.22Å; C249-S386 WeakPolarHBondContact O-CA 3.43Å; S386-T401 PolarHBondContact N-O 2.88Å; S386-T401 PolarHBondContact O-N 2.98Å
387V91Very high84.2Confident0 Ų052.8 Ų52.80%027%0.273CS..EExtended strand (participates in β ladder)trans-130128.1163.8-168.80000109F224 W232 E248 C249 Y398 Q399 F400F224-V387 HydrophobicContact CD1-CG2 4.17Å; F224-V387 HydrophobicContact CE1-CG2 3.35Å; F224-V387 HydrophobicContact CZ-CG2 4.1Å; W232-V387 HydrophobicContact CH2-CB 3.58Å; W232-V387 HydrophobicContact CH2-CG1 3.57Å; W232-V387 HydrophobicContact CH2-CG2 4.24Å; W232-V387 HydrophobicContact CZ2-CB 4.03Å; W232-V387 HydrophobicContact CZ2-CG1 4.15Å; E248-V387 WeakPolarHBondContact CA-O 3.48Å; C249-V387 PolarHBondContact N-O 3.01Å; C249-V387 PolarHBondContact O-N 3.37Å; V387-Y398 HydrophobicContact CG1-CD1 4.26Å; V387-Q399 CarbonylContact C-O 3.48Å; V387-Q399 WeakPolarHBondContact CA-O 3.32Å; V387-F400 HydrophobicContact CB-CD1 4.08Å; V387-F400 HydrophobicContact CB-CE1 4.24Å; V387-F400 HydrophobicContact CG1-CD1 3.66Å; V387-F400 HydrophobicContact CG1-CD2 4.31Å; V387-F400 HydrophobicContact CG1-CE1 3.57Å; V387-F400 HydrophobicContact CG1-CE2 4.24Å; V387-F400 HydrophobicContact CG1-CG 4.01Å; V387-F400 HydrophobicContact CG1-CZ 3.85Å; V387-F400 HydrophobicContact CG2-CD1 3.33Å; V387-F400 HydrophobicContact CG2-CE1 3.57Å; V387-F400 HydrophobicContact CG2-CG 4.23Å
388T91.7Very high84.6Confident23 Ų2353.6 Ų53.614%0.14128%0.276CS..EExtended strand (participates in β ladder)trans-100.9123172.8-79.80000109.4L246 Y398 Q399L246-T388 HydrophobicContact CD1-CG2 3.23Å; T388-Y398 CarbonylContact O-C 3.4Å; T388-Y398 VanDerWaalsContact O-CA 3.27Å; T388-Y398 WeakPolarHBondContact O-CA 3.3Å; T388-Q399 PolarHBondContact N-O 3.34Å; T388-Q399 PolarHBondContact O-N 2.96Å
389R92.6Very high85.3Confident20 Ų2051.9 Ų51.98%0.07526%0.257CS..EExtended strand (participates in β ladder)trans-107.4118.3171.8-175.2-176.576172.7-0.9109.2W232 Y244 L246 A247 F396 R397 Y398W232-R389 HydrophobicContact CZ2-CB 4.04Å; Y244-R389 PolarHBondContact OH-NE 3.03Å; Y244-R389 PolarHBondContact OH-NH2 3.11Å; Y244-R389 PolarHBondContact OH-O 3Å; L246-R389 CarbonylContact C-O 3.51Å; L246-R389 WeakPolarHBondContact CA-O 3.35Å; A247-R389 PolarHBondContact N-O 2.68Å; A247-R389 PolarHBondContact O-N 3.06Å; R389-F396 HydrophobicContact CG-CB 4.02Å; R389-F396 HydrophobicContact CG-CD1 3.7Å; R389-F396 HydrophobicContact CG-CE1 4.46Å; R389-F396 HydrophobicContact CG-CG 4.06Å; R389-R397 CarbonylContact C-O 3.54Å; R389-R397 WeakPolarHBondContact CA-O 3.48Å; R389-Y398 HydrophobicContact CB-CD1 4Å; R389-Y398 HydrophobicContact CB-CE1 3.92Å; R389-Y398 HydrophobicContact CG-CD1 3.98Å; R389-Y398 HydrophobicContact CG-CE1 3.53Å
390Q91.4Very high85.5Confident78 Ų7850.9 Ų50.936%0.36425%0.252SS..EExtended strand (participates in β ladder)trans-117.9142179.3-171.9176.5-21.400110.5E392 F396 R397Q390-E392 HydrophobicContact CG-CG 4.3Å; Q390-E392 PolarHBondContact NE2-OE1 3.17Å; Q390-F396 CarbonylContact O-C 3.55Å; Q390-F396 WeakPolarHBondContact O-CA 3.31Å; Q390-R397 PolarHBondContact N-O 3.16Å; Q390-R397 PolarHBondContact O-N 3.25Å
391L86.7Confident85.8Confident40 Ų4049.6 Ų49.621%0.20924%0.243CC..EExtended strand (participates in β ladder)trans-94.3110.8175.4-177.767000109.8V237 Y244 S245 F396V237-L391 HydrophobicContact CG1-CD2 3.97Å; Y244-L391 HydrophobicContact CD1-CB 3.84Å; Y244-L391 HydrophobicContact CE1-CB 4.21Å; S245-L391 PolarHBondContact O-N 3.35Å; S245-L391 VanDerWaalsContact O-N 3.12Å; L391-F396 HydrophobicContact CB-CD1 4.11Å; L391-F396 HydrophobicContact CB-CE1 3.93Å; L391-F396 HydrophobicContact CD1-CD1 3.96Å; L391-F396 HydrophobicContact CD1-CE1 3.76Å; L391-F396 HydrophobicContact CD1-CG 4.46Å; L391-F396 HydrophobicContact CD1-CZ 4.08Å; L391-F396 HydrophobicContact CG-CE1 4.34Å
392E81.8Confident86Confident64 Ų6449.3 Ų49.330%0.29924%0.241SC..EExtended strand (participates in β ladder)trans-123.6127.6175.5-72.8-172.8-169.100109.9Q390 G394 R395 R397Q390-E392 HydrophobicContact CG-CG 4.3Å; Q390-E392 PolarHBondContact NE2-OE1 3.17Å; E392-G394 PolarHBondContact O-N 3.47Å; E392-R395 PolarHBondContact N-O 2.75Å; E392-R395 PolarHBondContact O-N 3.41Å; E392-R397 VanDerWaalsContact CD-NH1 3.33Å; E392-R397 IonicContact OE1-NH1 2.81Å; E392-R397 PolarHBondContact OE1-NH1 3.44Å; E392-R397 IonicContact OE2-CZ 3.74Å; E392-R397 IonicContact OE2-NE 2.84Å; E392-R397 IonicContact OE2-NH1 3.93Å; E392-R397 PolarHBondContact OE2-NH1 3.41Å; E392-R397 IonicContact OE2-NH2 2.66Å; E392-R397 PolarHBondContact OE2-NH2 3.15Å
393E79.8Confident85.7Confident207 Ų20750 Ų5097%0.96724%0.244SC*.THydrogen-bonded Turntrans51.232.5176.3-57.9-175.9170.100114.8R395E393-R395 VanDerWaalsContact C-N 3.3Å; E393-R395 PolarHBondContact O-N 3.13Å
394G77.6Confident85.1Confident68 Ų6850 Ų5070%0.70125%0.245SC*.THydrogen-bonded Turntrans80.43.8-179.600000115E392E392-G394 PolarHBondContact O-N 3.47Å
395R82.8Confident84.4Confident192 Ų19250 Ų5073%0.72525%0.246SC*.EExtended strand (participates in β ladder)trans-115.8147.9172.5-65.6-177.6178.2172.50.5110.5E392 E393E392-R395 PolarHBondContact N-O 2.75Å; E392-R395 PolarHBondContact O-N 3.41Å; E393-R395 VanDerWaalsContact C-N 3.3Å; E393-R395 PolarHBondContact O-N 3.13Å
396F86.5Confident83.7Confident57 Ų5748.9 Ų48.925%0.2524%0.238CC..EExtended strand (participates in β ladder)trans-84.4128.1173.2-68.8-67.8000109.9Y244 R389 Q390 L391 Y398Y244-F396 HydrophobicContact CD1-CE1 4.05Å; Y244-F396 HydrophobicContact CE1-CD1 4.32Å; Y244-F396 AromaticContact CE1-CE1 3.74Å; Y244-F396 HydrophobicContact CE1-CE1 3.74Å; R389-F396 HydrophobicContact CG-CB 4.02Å; R389-F396 HydrophobicContact CG-CD1 3.7Å; R389-F396 HydrophobicContact CG-CE1 4.46Å; R389-F396 HydrophobicContact CG-CG 4.06Å; Q390-F396 CarbonylContact O-C 3.55Å; Q390-F396 WeakPolarHBondContact O-CA 3.31Å; L391-F396 HydrophobicContact CB-CD1 4.11Å; L391-F396 HydrophobicContact CB-CE1 3.93Å; L391-F396 HydrophobicContact CD1-CD1 3.96Å; L391-F396 HydrophobicContact CD1-CE1 3.76Å; L391-F396 HydrophobicContact CD1-CG 4.46Å; L391-F396 HydrophobicContact CD1-CZ 4.08Å; L391-F396 HydrophobicContact CG-CE1 4.34Å; F396-Y398 HydrophobicContact CB-CE2 3.72Å
397R88Confident82.7Confident98 Ų9851.7 Ų51.737%0.3725%0.249SC..EExtended strand (participates in β ladder)trans-102.6138.7167-170.7179.4-71.8154.57.9108.6L365 R389 Q390 E392L365-R397 HydrophobicContact CD1-CG 4.28Å; L365-R397 HydrophobicContact CG-CG 4.42Å; R389-R397 CarbonylContact C-O 3.54Å; R389-R397 WeakPolarHBondContact CA-O 3.48Å; Q390-R397 PolarHBondContact N-O 3.16Å; Q390-R397 PolarHBondContact O-N 3.25Å; E392-R397 VanDerWaalsContact CD-NH1 3.33Å; E392-R397 IonicContact OE1-NH1 2.81Å; E392-R397 PolarHBondContact OE1-NH1 3.44Å; E392-R397 IonicContact OE2-CZ 3.74Å; E392-R397 IonicContact OE2-NE 2.84Å; E392-R397 IonicContact OE2-NH1 3.93Å; E392-R397 PolarHBondContact OE2-NH1 3.41Å; E392-R397 IonicContact OE2-NH2 2.66Å; E392-R397 PolarHBondContact OE2-NH2 3.15Å
398Y87.4Confident81.4Confident17 Ų1756.1 Ų56.17%0.06727%0.269CS..EExtended strand (participates in β ladder)trans-116.7133.3-178.9-60.7-96.9000109.6W232 L365 T366 L368 A370 V387 T388 R389 F396 F400W232-Y398 HydrophobicContact CZ3-CE1 4.35Å; L365-Y398 WeakPolarHBondContact CA-O 3.34Å; T366-Y398 PolarHBondContact N-O 3.29Å; T366-Y398 PolarHBondContact O-N 3.42Å; L368-Y398 WeakPolarHBondContact O-CD2 3.48Å; A370-Y398 HydrophobicContact CB-CD1 4.11Å; A370-Y398 HydrophobicContact CB-CE1 4.03Å; V387-Y398 HydrophobicContact CG1-CD1 4.26Å; T388-Y398 CarbonylContact O-C 3.4Å; T388-Y398 VanDerWaalsContact O-CA 3.27Å; T388-Y398 WeakPolarHBondContact O-CA 3.3Å; R389-Y398 HydrophobicContact CB-CD1 4Å; R389-Y398 HydrophobicContact CB-CE1 3.92Å; R389-Y398 HydrophobicContact CG-CD1 3.98Å; R389-Y398 HydrophobicContact CG-CE1 3.53Å; F396-Y398 HydrophobicContact CB-CE2 3.72Å; Y398-F400 VanDerWaalsContact CB-CE2 3.5Å; Y398-F400 HydrophobicContact CG-CE2 4.39Å
399Q87.4Confident79.6Confident69 Ų6959 Ų5932%0.32229%0.286SS..EExtended strand (participates in β ladder)trans-119.2114.6169.8-177.8178.4-2.200107.7I364 L365 V387 T388I364-Q399 CarbonylContact O-C 3.58Å; I364-Q399 VanDerWaalsContact O-CA 3.29Å; I364-Q399 WeakPolarHBondContact O-CA 2.99Å; L365-Q399 HydrophobicContact CD1-CB 4.07Å; L365-Q399 HydrophobicContact CD1-CG 4.39Å; V387-Q399 CarbonylContact C-O 3.48Å; V387-Q399 WeakPolarHBondContact CA-O 3.32Å; T388-Q399 PolarHBondContact N-O 3.34Å; T388-Q399 PolarHBondContact O-N 2.96Å
400F86.1Confident77.7Confident0 Ų067.8 Ų67.80%032%0.319CS..EExtended strand (participates in β ladder)trans-99.1134.1176.7-59.4-104.1000109.2I225 Q363 I364 T366 A370 V373 F384 V387 Y398I225-F400 HydrophobicContact CD1-CD1 4.43Å; I225-F400 HydrophobicContact CD1-CE1 3.85Å; I225-F400 HydrophobicContact CG1-CE1 4.15Å; Q363-F400 CarbonylContact C-O 3.48Å; Q363-F400 VanDerWaalsContact CA-O 3.25Å; Q363-F400 WeakPolarHBondContact CA-O 3.16Å; I364-F400 HydrophobicContact CB-CB 4.13Å; I364-F400 HydrophobicContact CB-CD2 4.18Å; I364-F400 HydrophobicContact CG1-CB 4.45Å; I364-F400 PolarHBondContact N-O 3.1Å; I364-F400 PolarHBondContact O-N 2.98Å; T366-F400 HydrophobicContact CG2-CD2 4.42Å; T366-F400 HydrophobicContact CG2-CE2 3.81Å; A370-F400 HydrophobicContact CB-CE1 4.06Å; A370-F400 HydrophobicContact CB-CZ 3.76Å; V373-F400 HydrophobicContact CB-CZ 4.19Å; V373-F400 HydrophobicContact CG1-CZ 4.37Å; V373-F400 HydrophobicContact CG2-CE2 4.16Å; V373-F400 HydrophobicContact CG2-CZ 4.11Å; F384-F400 HydrophobicContact CD1-CB 3.65Å; F384-F400 HydrophobicContact CD1-CD1 4.08Å; F384-F400 HydrophobicContact CD1-CG 4.32Å; F384-F400 HydrophobicContact CD2-CD1 4.36Å; F384-F400 HydrophobicContact CE1-CB 3.37Å; F384-F400 AromaticContact CE1-CD1 3.95Å; F384-F400 HydrophobicContact CE1-CD1 3.95Å; F384-F400 AromaticContact CE1-CG 3.95Å; F384-F400 HydrophobicContact CE1-CG 3.95Å; F384-F400 HydrophobicContact CE2-CD1 4.19Å; F384-F400 HydrophobicContact CG-CD1 4.31Å; F384-F400 HydrophobicContact CZ-CB 4.14Å; F384-F400 HydrophobicContact CZ-CD1 4.01Å; F384-F400 HydrophobicContact CZ-CG 4.25Å; V387-F400 HydrophobicContact CB-CD1 4.08Å; V387-F400 HydrophobicContact CB-CE1 4.24Å; V387-F400 HydrophobicContact CG1-CD1 3.66Å; V387-F400 HydrophobicContact CG1-CD2 4.31Å; V387-F400 HydrophobicContact CG1-CE1 3.57Å; V387-F400 HydrophobicContact CG1-CE2 4.24Å; V387-F400 HydrophobicContact CG1-CG 4.01Å; V387-F400 HydrophobicContact CG1-CZ 3.85Å; V387-F400 HydrophobicContact CG2-CD1 3.33Å; V387-F400 HydrophobicContact CG2-CE1 3.57Å; V387-F400 HydrophobicContact CG2-CG 4.23Å; Y398-F400 VanDerWaalsContact CB-CE2 3.5Å; Y398-F400 HydrophobicContact CG-CE2 4.39Å
401T82.6Confident75.2Confident31 Ų3170.3 Ų70.319%0.1933%0.331CS..EExtended strand (participates in β ladder)trans-113125.2170.3-55.20000107.9L362 F384 I385 S386L362-T401 CarbonylContact O-C 3.53Å; L362-T401 WeakPolarHBondContact O-CA 3.48Å; F384-T401 CarbonylContact C-O 3.43Å; F384-T401 WeakPolarHBondContact CA-O 3.1Å; I385-T401 PolarHBondContact N-O 3.44Å; S386-T401 PolarHBondContact N-O 2.88Å; S386-T401 PolarHBondContact O-N 2.98Å
402A81.2Confident72.8Confident0 Ų076.4 Ų76.40%036%0.358CS..EExtended strand (participates in β ladder)trans-131.4150.2-177.300000111.4L362 V382 R383 F384L362-A402 HydrophobicContact CB-CB 4.07Å; L362-A402 HydrophobicContact CD2-CB 4.21Å; L362-A402 HydrophobicContact CG-CB 4.47Å; L362-A402 PolarHBondContact N-O 3.28Å; L362-A402 PolarHBondContact O-N 3.01Å; V382-A402 HydrophobicContact CG1-CB 3.54Å; R383-A402 CarbonylContact O-C 3.5Å; R383-A402 WeakPolarHBondContact O-CA 3.48Å; R383-A402 WeakPolarHBondContact O-CB 3.45Å; F384-A402 HydrophobicContact CD1-CB 3.35Å; F384-A402 HydrophobicContact CE1-CB 3.72Å; F384-A402 HydrophobicContact CG-CB 4.18Å
403M77.7Confident70.9Confident13 Ų1379.4 Ų79.46%0.06438%0.376CS..EExtended strand (participates in β ladder)trans-88.1126.4163.9-166.117262.400108.8P214 W215 M218 E359 Y360 V382 R383 I385P214-M403 HydrophobicContact CB-CE 3.8Å; P214-M403 HydrophobicContact CB-SD 4.13Å; P214-M403 HydrophobicContact CG-CE 3.63Å; P214-M403 HydrophobicContact CG-SD 3.66Å; W215-M403 HydrophobicContact CB-CE 3.84Å; W215-M403 HydrophobicContact CE3-CE 4.27Å; M218-M403 HydrophobicContact CE-CE 3.67Å; M218-M403 HydrophobicContact CE-SD 4.2Å; M218-M403 HydrophobicContact SD-CE 3.61Å; E359-M403 HydrophobicContact CB-CG 4.42Å; E359-M403 HydrophobicContact CG-CG 4.08Å; E359-M403 HydrophobicContact CG-SD 4.05Å; Y360-M403 CarbonylContact O-C 3.51Å; Y360-M403 WeakPolarHBondContact O-CA 3.39Å; V382-M403 WeakPolarHBondContact CA-O 3.4Å; R383-M403 PolarHBondContact N-O 3.16Å; R383-M403 PolarHBondContact O-N 3.16Å; I385-M403 HydrophobicContact CD1-CB 3.96Å; I385-M403 HydrophobicContact CG1-CB 4.31Å
404L73.9Confident69Low6 Ų678 Ų783%0.03136%0.362CS..EExtended strand (participates in β ladder)trans-101.7129.3169-168.676.2000108.9L321 L325 E359 Y360 S381 V382L321-L404 HydrophobicContact CD1-CD1 4.16Å; L321-L404 HydrophobicContact CD2-CD1 3.79Å; L321-L404 HydrophobicContact CD2-CD2 3.71Å; L321-L404 HydrophobicContact CD2-CG 3.77Å; L321-L404 HydrophobicContact CG-CD1 4.21Å; L321-L404 HydrophobicContact CG-CD2 4.33Å; L325-L404 HydrophobicContact CD1-CD1 3.88Å; L325-L404 HydrophobicContact CD1-CD2 4.09Å; E359-L404 CarbonylContact C-O 3.54Å; E359-L404 VanDerWaalsContact CA-O 3.25Å; E359-L404 WeakPolarHBondContact CA-O 3.15Å; Y360-L404 HydrophobicContact CD2-CB 4.08Å; Y360-L404 HydrophobicContact CD2-CD2 3.77Å; Y360-L404 HydrophobicContact CD2-CG 4.27Å; Y360-L404 HydrophobicContact CE2-CD2 4.46Å; Y360-L404 HydrophobicContact CG-CB 4.27Å; Y360-L404 HydrophobicContact CG-CD2 4Å; Y360-L404 PolarHBondContact N-O 2.99Å; Y360-L404 PolarHBondContact O-N 2.72Å; S381-L404 WeakPolarHBondContact O-CA 3.29Å; V382-L404 HydrophobicContact CB-CD1 4.45Å; V382-L404 HydrophobicContact CG2-CD1 3.33Å
405A71.2Confident67.2Low2 Ų279.4 Ų79.42%0.01736%0.356CS..EExtended strand (participates in β ladder)trans-110.7138.8171.300000111.5W215 L315 K358 S381W215-A405 HydrophobicContact CD2-CB 4.01Å; W215-A405 HydrophobicContact CE3-CB 3.43Å; W215-A405 VanDerWaalsContact CE3-CB 3.43Å; W215-A405 HydrophobicContact CH2-CB 3.6Å; W215-A405 HydrophobicContact CZ2-CB 4.19Å; W215-A405 HydrophobicContact CZ3-CB 3.2Å; L315-A405 HydrophobicContact CD1-CB 3.72Å; K358-A405 WeakPolarHBondContact O-CA 3.38Å; S381-A405 PolarHBondContact O-N 3.41Å
406R71Confident65.1Low28 Ų2877.1 Ų77.111%0.10636%0.358CS..EExtended strand (participates in β ladder)trans-128.2150.8173.467.7174.5-179.8172.7-4.1111.5N318 E340 W357 K358 Y360N318-R406 PolarHBondContact ND2-NH1 3.42Å; N318-R406 WeakPolarHBondContact OD1-CD 3.47Å; N318-R406 PolarHBondContact OD1-NH1 3.39Å; E340-R406 IonicContact OE1-NH2 3.86Å; E340-R406 IonicContact OE2-CZ 3.77Å; E340-R406 IonicContact OE2-NH2 3.74Å; E340-R406 PolarHBondContact OE2-NH2 3.41Å; W357-R406 CarbonylContact C-O 3.6Å; W357-R406 WeakPolarHBondContact CA-O 3.36Å; W357-R406 WeakPolarHBondContact CB-O 3.34Å; K358-R406 HydrophobicContact CB-CG 3.8Å; K358-R406 HydrophobicContact CG-CG 4.19Å; K358-R406 VanDerWaalsContact CG-NE 3.34Å; K358-R406 PolarHBondContact N-O 3.28Å; K358-R406 VanDerWaalsContact N-O 3.11Å; K358-R406 PolarHBondContact O-N 3.41Å; Y360-R406 HydrophobicContact CE2-CG 3.99Å; Y360-R406 PolarHBondContact OH-NE 2.95Å; Y360-R406 PolarHBondContact OH-NH1 3.1Å; Y360-R406 VanDerWaalsContact OH-NH1 3.07Å; Y360-R406 PolarHBondContact OH-NH2 3.29Å
407E67.9Low63.1Low72 Ų7282.3 Ų82.334%0.33638%0.383SS..EExtended strand (participates in β ladder)trans-70.1134.7169.4-166.8178.8-179.400110.9V409E407-V409 PolarHBondContact O-N 3.36Å
408K63.5Low60.9Low93 Ų9385.1 Ų85.140%0.40440%0.4SS..  trans-78.5108.9174.1-169.3173.6179.61760108.7P356 R410P356-K408 VanDerWaalsContact O-CB 3.23Å; P356-K408 WeakPolarHBondContact O-CB 3.41Å; P356-K408 PolarHBondContact O-N 2.88Å; K408-R410 PolarHBondContact O-N 3.02Å
409V55.5Low58.3Low85 Ų8587.9 Ų87.952%0.51543%0.434SS..  trans-46.6111.9-178.5173.60000111E407 H411E407-V409 PolarHBondContact O-N 3.36Å; V409-H411 HydrophobicContact CG1-CB 3.39Å; V409-H411 PolarHBondContact O-N 2.79Å
410R51.7Low55.8Low204 Ų20492.3 Ų92.377%0.7745%0.454SS*.THydrogen-bonded Turntrans-7011.2177.6-134.1177.9-154.6169.57.9113.6K408K408-R410 PolarHBondContact O-N 3.02Å
411H38.4Very low53.3Low131 Ų13198.2 Ų98.261%0.60649%0.493SS*.Hα-helixtrans-87.4-21.2-166.6-144.6-26000114.3V409V409-H411 HydrophobicContact CG1-CB 3.39Å; V409-H411 PolarHBondContact O-N 2.79Å
412E38Very low50.9Low167 Ų167101.7 Ų101.778%0.7852%0.524SS*.Hα-helixtrans-79.2-13.9178.1-71.7-177.5162.300114.2T415E412-T415 PolarHBondContact O-OG1 2.96Å
413L41.3Very low48.5Very low128 Ų128109.8 Ų109.867%0.6756%0.562SS**Hα-helixtrans-90.7-22179-90153000113.8
414R40.6Very low46.2Very low178 Ų178114.8 Ų114.867%0.67260%0.596SS**Hα-helixtrans-75.1-26.1177-84.3-174.8-179.8166.12.2113.6L416 E417R414-L416 VanDerWaalsContact C-N 3.29Å; R414-L416 PolarHBondContact O-N 3.05Å; R414-E417 PolarHBondContact O-N 2.83Å
415T39.4Very low44.1Very low96 Ų96120.5 Ų120.559%0.58963%0.63SS**THydrogen-bonded Turntrans-74.8-16.6-179.130.50000113.4E412E412-T415 PolarHBondContact O-OG1 2.96Å
416L37.2Very low41.9Very low145 Ų145129.3 Ų129.376%0.75967%0.671SS**THydrogen-bonded Turntrans-85.6-22.6172.6-77.6162.3000113.4R414 Q418R414-L416 VanDerWaalsContact C-N 3.29Å; R414-L416 PolarHBondContact O-N 3.05Å; L416-Q418 VanDerWaalsContact C-N 3.29Å; L416-Q418 PolarHBondContact O-N 2.85Å
417E44.4Very low39.9Very low165 Ų165132.4 Ų132.477%0.77170%0.697SS**SBendtrans-76.4-13.5178.8-72.5-176.8146.600113.5R414R414-E417 PolarHBondContact O-N 2.83Å
418Q42.5Very low38.1Very low158 Ų158137.9 Ų137.974%0.73872%0.722SS**SBendtrans-113.9-2.2-172.6-66.6-170.5-1700116L416 E420L416-Q418 VanDerWaalsContact C-N 3.29Å; L416-Q418 PolarHBondContact O-N 2.85Å; Q418-E420 VanDerWaalsContact C-N 3.26Å; Q418-E420 PolarHBondContact O-N 2.92Å; Q418-E420 VanDerWaalsContact O-N 3.14Å
419G33.3Very low36.3Very low74 Ų74142.8 Ų142.876%0.76375%0.747SS**  trans6517.2164.800000117
420E35.2Very low35Very low162 Ų162144.5 Ų144.576%0.75776%0.763SS**PPolyproline II helixtrans-90.8140.3173.9-72.4-174.7161.400111.3Q418 A422Q418-E420 VanDerWaalsContact C-N 3.26Å; Q418-E420 PolarHBondContact O-N 2.92Å; Q418-E420 VanDerWaalsContact O-N 3.14Å; E420-A422 PolarHBondContact O-N 3.32Å
421P33.5Very low33.7Very low125 Ų125140.2 Ų140.281%0.81276%0.764SS**PPolyproline II helixtrans-67.3127.2178.127.3-30.9000110E423P421-E423 PolarHBondContact O-N 2.93Å
422A31.4Very low33.3Very low103 Ų103139.9 Ų139.985%0.85178%0.776SS**PPolyproline II helixtrans-64.5116.9174.300000110.3E420E420-A422 PolarHBondContact O-N 3.32Å
423E30.5Very low32.8Very low171 Ų171136.3 Ų136.380%0.79978%0.776SS**PPolyproline II helixtrans-61.5144.6165.3-77.4-173.9151.900110.2P421 V425P421-E423 PolarHBondContact O-N 2.93Å; E423-V425 PolarHBondContact O-N 3.34Å
424P29Very low32.1Very low118 Ų118137 Ų13777%0.76678%0.784SS**  trans-68.5109175.328.1-31.4000109.4H426P424-H426 PolarHBondContact O-N 3.34Å; P424-H426 VanDerWaalsContact O-N 3.08Å
425V30.4Very low31.4Very low125 Ų125134.5 Ų134.576%0.75879%0.79SS**  trans-71.7102.4171.3179.70000108.6E423E423-V425 PolarHBondContact O-N 3.34Å
426H26.1Very low30.9Very low188 Ų188136 Ų13687%0.8780%0.798SS**  trans-80.1111.1151.7-85.8-64.2000108.1P424P424-H426 PolarHBondContact O-N 3.34Å; P424-H426 VanDerWaalsContact O-N 3.08Å
427S28.1Very low30.5Very low93 Ų93137.1 Ų137.165%0.6581%0.806SS**  trans-135.193.6164.149.50000107.8
428Q29.8Very low29.8Very low186 Ų186135.4 Ų135.487%0.86981%0.806SS**  7498.299-80.9-170.8-1900112.5S430Q428-S430 PolarHBondContact O-N 3.12Å
429E25.3Very low29.2Very low196 Ų196133.6 Ų133.692%0.91681%0.808SS**  trans-49.2118.9154.7-67.5174.5144.100109.8S431E429-S431 PolarHBondContact O-N 3.2Å
430S29.4Very low29Very low121 Ų121134.2 Ų134.285%0.84681%0.806SS**  trans-82.493.4170.656.40000109.7Q428Q428-S430 PolarHBondContact O-N 3.12Å
431S24.7Very low28.6Very low115 Ų115131.7 Ų131.780%0.80480%0.804SS**  trans-64.4133.2156.159.30000110E429E429-S431 PolarHBondContact O-N 3.2Å
432S29.3Very low28.5Very low123 Ų123134.2 Ų134.286%0.8681%0.809SS**  trans-138.3126.1151600000109.7
433A26.5Very low28.8Very low93 Ų93135 Ų13577%0.76980%0.803SS**  trans-78.6143.7-168.200000112.6
434V28.4Very low29.9Very low141 Ų141128.6 Ų128.686%0.85578%0.783SS**  trans-135.4116.5145.7179.40000107.5
435T25.8Very low31.4Very low127 Ų127129.6 Ų129.678%0.77978%0.781SS**  trans-69.9129.7173.843.20000111.4
436T28.8Very low33.1Very low126 Ų126124.6 Ų124.677%0.77375%0.751SS**  trans-138.2118.3151.544.10000109.3T438T436-T438 PolarHBondContact O-N 2.78Å
437D27.7Very low35.3Very low170 Ų170124.6 Ų124.691%0.90974%0.743SS**  trans-51.1124.6174.4-73.2-50.3000112.1
438T30.4Very low37.6Very low128 Ų128124.9 Ų124.979%0.78574%0.737SS**  trans-148.4138.8156.9-30000108.7T436T436-T438 PolarHBondContact O-N 2.78Å
439P29.5Very low39.9Very low120 Ų120119.5 Ų119.578%0.77972%0.717SS**  trans-83.4150.6-151.932-32.3000114.2
440A28.3Very low42.4Very low88 Ų88114.8 Ų114.873%0.72769%0.694SS**  trans14.7138.4157.600000120.8
441P28Very low44.8Very low108 Ų108111.1 Ų111.170%0.70167%0.665SS**  trans-70.2137.3-177.131.1-33000111.1T443P441-T443 VanDerWaalsContact C-N 3.35Å; P441-T443 PolarHBondContact O-N 3.02Å
442I31.9Very low47.2Very low179 Ų179108.2 Ų108.292%0.91865%0.645SS**  trans-64.2102.4163.3-61.8174.5000106.6
443T37.6Very low49Very low118 Ų118104.9 Ų104.972%0.72463%0.63SS**  trans-76.1132.7173.635.20000108.8P441P441-T443 VanDerWaalsContact C-N 3.35Å; P441-T443 PolarHBondContact O-N 3.02Å
444G53.7Low50.7Low38 Ų38106.2 Ų106.239%0.39263%0.628SS.*  trans13872.715500000118.2P465G444-P465 VanDerWaalsContact O-CG 3.31Å; G444-P465 WeakPolarHBondContact O-CG 3.49Å
445I60.1Low51.8Low139 Ų139106 Ų10671%0.71362%0.618SS**  trans-96.7129.8160.6-56.1176.3000108.1R447I445-R447 PolarHBondContact O-N 3.33Å
446P66.2Low53.4Low19 Ų19105.3 Ų105.312%0.12362%0.615CS.*  trans-56.3134172.33.7-8.1000112.1I462 Q463 L464 I478 T481 F483P446-I462 HydrophobicContact CB-CG2 3.26Å; P446-Q463 CarbonylContact C-O 3.55Å; P446-Q463 VanDerWaalsContact CA-O 3.32Å; P446-Q463 WeakPolarHBondContact CA-O 3.4Å; P446-L464 HydrophobicContact CB-CD2 4.46Å; P446-I478 HydrophobicContact CB-CD1 4.21Å; P446-I478 HydrophobicContact CB-CG2 3.93Å; P446-I478 HydrophobicContact CG-CD1 3.92Å; P446-I478 HydrophobicContact CG-CG2 3.94Å; P446-T481 HydrophobicContact CG-CG2 3.92Å; P446-F483 HydrophobicContact CG-CD2 4.03Å
447R71.2Confident55.3Low189 Ų189105.9 Ų105.971%0.71361%0.609SS**EExtended strand (participates in β ladder)trans-105125.7176.4-95.5-175171.1176.2-2.7111.3I445 I462 Q463I445-R447 PolarHBondContact O-N 3.33Å; R447-I462 CarbonylContact O-C 3.53Å; R447-I462 VanDerWaalsContact O-CA 3.26Å; R447-I462 WeakPolarHBondContact O-CA 3.29Å; R447-I462 WeakPolarHBondContact O-CG2 3.43Å; R447-Q463 PolarHBondContact N-O 2.78Å; R447-Q463 PolarHBondContact O-N 3.2Å
448L77.3Confident57.6Low99 Ų9998.3 Ų98.352%0.51857%0.569SS.*EExtended strand (participates in β ladder)trans-62.2134.1166.8-178.672.2000109.6I451 A460 I462L448-I451 HydrophobicContact CD1-CG1 4.09Å; L448-I451 HydrophobicContact CD2-CD1 3.91Å; L448-I451 HydrophobicContact CD2-CG1 3.98Å; L448-I451 HydrophobicContact CG-CG1 4.45Å; L448-A460 HydrophobicContact CD1-CB 3.48Å; L448-A460 VanDerWaalsContact CD1-CB 3.48Å; L448-I462 HydrophobicContact CD1-CG1 4.35Å
449T77.5Confident60Low72 Ų7293.5 Ų93.544%0.44254%0.539SS..EExtended strand (participates in β ladder)trans-121.6-30.4-177.143.30000113.3R461 Q463T449-R461 PolarHBondContact N-O 2.97Å; T449-R461 VanDerWaalsContact OG1-C 3.32Å; T449-R461 WeakPolarHBondContact OG1-CG 3.49Å; T449-R461 PolarHBondContact OG1-O 3.35Å; T449-Q463 HydrophobicContact CG2-CB 3.91Å
450E79.1Confident62.4Low97 Ų9788 Ų8845%0.45350%0.503SS..EExtended strand (participates in β ladder)trans-156.4143.6-179.7-164.5177.6-177.300109.7A460 R461E450-A460 CarbonylContact O-C 3.57Å; E450-A460 WeakPolarHBondContact O-CA 3.5Å; E450-R461 HydrophobicContact CB-CB 3.92Å; E450-R461 PolarHBondContact N-O 3.44Å; E450-R461 PolarHBondContact O-N 3.12Å; E450-R461 IonicContact OE2-CZ 2.69Å; E450-R461 IonicContact OE2-NH1 3.67Å; E450-R461 PolarHBondContact OE2-NH1 3.44Å
451I78.7Confident65.1Low45 Ų4588 Ų8823%0.23148%0.484CS..EExtended strand (participates in β ladder)trans-115.3128.3166.1-62.1175.1000107.3L448 I458 T459 I488 T489L448-I451 HydrophobicContact CD1-CG1 4.09Å; L448-I451 HydrophobicContact CD2-CD1 3.91Å; L448-I451 HydrophobicContact CD2-CG1 3.98Å; L448-I451 HydrophobicContact CG-CG1 4.45Å; I451-I458 HydrophobicContact CG2-CG2 3.3Å; I451-T459 WeakPolarHBondContact CA-O 3.4Å; I451-I488 HydrophobicContact CD1-CG2 3.86Å; I451-I488 HydrophobicContact CG1-CG2 4.18Å; I451-I488 HydrophobicContact CG2-CG2 4.02Å; I451-T489 WeakPolarHBondContact CD1-O 3.25Å
452S74.8Confident67.7Low54 Ų5483.4 Ų83.438%0.37845%0.454SS..EExtended strand (participates in β ladder)trans-132.5149.5179.460.20000111.5T459S452-T459 PolarHBondContact N-O 3.33Å; S452-T459 PolarHBondContact O-N 3.49Å
453G67.4Low70.1Confident53 Ų5378.9 Ų78.955%0.54643%0.429SS..SBendtrans101.7176.2179.200000114.2
454V61.8Low72.1Confident121 Ų12174.2 Ų74.273%0.73340%0.4SS*.  trans-118.9139-178-162.40000107.6Q457V454-Q457 CarbonylContact O-C 3.56Å; V454-Q457 WeakPolarHBondContact O-CA 3.5Å; V454-Q457 PolarHBondContact O-N 2.92Å
455H52.7Low72.5Confident137 Ų13776 Ų7663%0.63440%0.404SS*.THydrogen-bonded Turntrans-48.3128.7175.6-157.5-66.7000110.1I458H455-I458 HydrophobicContact CB-CD1 4Å; H455-I458 HydrophobicContact CB-CG1 4.35Å
456P58.2Low72.9Confident111 Ų11172.7 Ų72.772%0.72140%0.404SS*.THydrogen-bonded Turncis-953.210.937.6-33.4000114.9I458P456-I458 VanDerWaalsContact C-N 3.31Å; P456-I458 PolarHBondContact O-N 2.94Å
457Q69.7Low73.3Confident138 Ų13874.1 Ų74.165%0.64542%0.422SS*.SBendtrans-94.449.7-178.3-60-158.84.200112.2V454V454-Q457 CarbonylContact O-C 3.56Å; V454-Q457 WeakPolarHBondContact O-CA 3.5Å; V454-Q457 PolarHBondContact O-N 2.92Å
458I75.1Confident73.7Confident12 Ų1271.9 Ų71.96%0.06242%0.42CS..  trans-81.6131.8175.7-53.9174.3000108.8I451 H455 P456 I488 T490I451-I458 HydrophobicContact CG2-CG2 3.3Å; H455-I458 HydrophobicContact CB-CD1 4Å; H455-I458 HydrophobicContact CB-CG1 4.35Å; P456-I458 VanDerWaalsContact C-N 3.31Å; P456-I458 PolarHBondContact O-N 2.94Å; I458-I488 HydrophobicContact CB-CG2 4.48Å; I458-I488 HydrophobicContact CG2-CB 4.09Å; I458-I488 HydrophobicContact CG2-CD1 4.46Å; I458-I488 HydrophobicContact CG2-CG2 3.48Å; I458-I488 VanDerWaalsContact CG2-CG2 3.48Å; I458-T490 HydrophobicContact CD1-CG2 4.21Å
459T81.1Confident73.9Confident27 Ų2771.4 Ų71.417%0.16642%0.421CS..EExtended strand (participates in β ladder)trans-123.4130178.8-44.50000109I451 S452 D471 K473I451-T459 WeakPolarHBondContact CA-O 3.4Å; S452-T459 PolarHBondContact N-O 3.33Å; S452-T459 PolarHBondContact O-N 3.49Å; T459-D471 HydrophobicContact CG2-CB 3.88Å; T459-K473 HydrophobicContact CG2-CG 4.23Å
460A80.8Confident74.2Confident3 Ų368.8 Ų68.83%0.02541%0.407CS..EExtended strand (participates in β ladder)trans-105.3121.9178.400000109.8L448 E450 D471 V472 I488L448-A460 HydrophobicContact CD1-CB 3.48Å; L448-A460 VanDerWaalsContact CD1-CB 3.48Å; E450-A460 CarbonylContact O-C 3.57Å; E450-A460 WeakPolarHBondContact O-CA 3.5Å; A460-D471 WeakPolarHBondContact O-CA 3.41Å; A460-V472 HydrophobicContact CB-CG2 4.17Å; A460-V472 PolarHBondContact N-O 3.12Å; A460-V472 WeakPolarHBondContact O-CG2 3.37Å; A460-V472 PolarHBondContact O-N 2.85Å; A460-I488 HydrophobicContact CB-CD1 3.78Å; A460-I488 HydrophobicContact CB-CG1 4.22Å; A460-I488 HydrophobicContact CB-CG2 4.37Å
461R84.4Confident74.6Confident88 Ų8868 Ų6833%0.33241%0.406SS..EExtended strand (participates in β ladder)trans-86.7124.8172.5-174.2166.2-75.4161.8-7109.6T449 E450 D471T449-R461 PolarHBondContact N-O 2.97Å; T449-R461 VanDerWaalsContact OG1-C 3.32Å; T449-R461 WeakPolarHBondContact OG1-CG 3.49Å; T449-R461 PolarHBondContact OG1-O 3.35Å; E450-R461 HydrophobicContact CB-CB 3.92Å; E450-R461 PolarHBondContact N-O 3.44Å; E450-R461 PolarHBondContact O-N 3.12Å; E450-R461 IonicContact OE2-CZ 2.69Å; E450-R461 IonicContact OE2-NH1 3.67Å; E450-R461 PolarHBondContact OE2-NH1 3.44Å; R461-D471 WeakPolarHBondContact CA-OD1 3.47Å; R461-D471 WeakPolarHBondContact CB-OD1 3.33Å; R461-D471 WeakPolarHBondContact CG-OD1 3.34Å; R461-D471 IonicContact CZ-OD1 3.4Å; R461-D471 IonicContact CZ-OD2 3.9Å; R461-D471 IonicContact NE-OD1 2.78Å; R461-D471 PolarHBondContact NE-OD1 2.96Å; R461-D471 IonicContact NE-OD2 3.5Å; R461-D471 IonicContact NH2-OD1 3.4Å; R461-D471 IonicContact NH2-OD2 2.68Å; R461-D471 PolarHBondContact NH2-OD2 3.36Å
462I81.9Confident75Confident12 Ų1266 Ų666%0.06240%0.396CS..EExtended strand (participates in β ladder)trans-124.2128.8-173.5-55.6-172.7000110.2P446 R447 L448 T469 A470 V472 I478P446-I462 HydrophobicContact CB-CG2 3.26Å; R447-I462 CarbonylContact O-C 3.53Å; R447-I462 VanDerWaalsContact O-CA 3.26Å; R447-I462 WeakPolarHBondContact O-CA 3.29Å; R447-I462 WeakPolarHBondContact O-CG2 3.43Å; L448-I462 HydrophobicContact CD1-CG1 4.35Å; I462-T469 CarbonylContact O-C 3.54Å; I462-T469 VanDerWaalsContact O-CA 3.32Å; I462-T469 WeakPolarHBondContact O-CA 3.3Å; I462-A470 PolarHBondContact N-O 2.64Å; I462-A470 PolarHBondContact O-N 3.04Å; I462-V472 HydrophobicContact CD1-CG2 3.24Å; I462-V472 HydrophobicContact CG1-CG2 3.77Å; I462-I478 HydrophobicContact CD1-CD1 3.56Å; I462-I478 HydrophobicContact CD1-CG1 3.84Å; I462-I478 HydrophobicContact CG2-CG2 4.27Å
463Q81.8Confident75.5Confident84 Ų8467.8 Ų67.839%0.39340%0.397SS..EExtended strand (participates in β ladder)trans-84.8121.8171.6-166.7173.222.900110.5P446 R447 T449 T469P446-Q463 CarbonylContact C-O 3.55Å; P446-Q463 VanDerWaalsContact CA-O 3.32Å; P446-Q463 WeakPolarHBondContact CA-O 3.4Å; R447-Q463 PolarHBondContact N-O 2.78Å; R447-Q463 PolarHBondContact O-N 3.2Å; T449-Q463 HydrophobicContact CG2-CB 3.91Å; Q463-T469 HydrophobicContact CB-CG2 4.31Å; Q463-T469 HydrophobicContact CG-CG2 4.37Å
464L79.6Confident76.2Confident21 Ų2169.3 Ų69.311%0.1139%0.39CS..  trans-84.9161-178-61.8174.7000111.9P446 G466 G467 Q468 A470 I478 P479P446-L464 HydrophobicContact CB-CD2 4.46Å; L464-G466 PolarHBondContact O-N 3.14Å; L464-G467 PolarHBondContact O-N 3.45Å; L464-Q468 WeakPolarHBondContact CB-O 3.48Å; L464-Q468 HydrophobicContact CD1-CB 4.39Å; L464-Q468 PolarHBondContact N-O 2.79Å; L464-A470 HydrophobicContact CD1-CB 4.23Å; L464-I478 HydrophobicContact CD2-CG2 3.49Å; L464-I478 VanDerWaalsContact CD2-CG2 3.49Å; L464-P479 HydrophobicContact CD1-CB 4.35Å; L464-P479 WeakPolarHBondContact CD1-O 3.39Å; L464-P479 WeakPolarHBondContact CD2-O 3.45Å
465P62.2Low77.2Confident74 Ų7465.2 Ų65.248%0.48137%0.372SS..THydrogen-bonded Turntrans-58-3.8179.8-28.238.6000117.6G444G444-P465 VanDerWaalsContact O-CG 3.31Å; G444-P465 WeakPolarHBondContact O-CG 3.49Å
466G70.1Confident78.7Confident70 Ų7063.2 Ų63.272%0.72236%0.363SS*.THydrogen-bonded Turntrans-110.513.3173.500000114.4L464 Q468L464-G466 PolarHBondContact O-N 3.14Å; G466-Q468 PolarHBondContact O-N 2.94Å
467G74.1Confident79.9Confident49 Ų4963.6 Ų63.651%0.50535%0.354SS..SBendtrans79.4-9.3-177.500000115.1L464L464-G467 PolarHBondContact O-N 3.45Å
468Q78.8Confident80.5Confident142 Ų14257.8 Ų57.866%0.66433%0.328SS*.  trans-67.6146.2171.8-66.7-178.9-4.300111L464 G466L464-Q468 WeakPolarHBondContact CB-O 3.48Å; L464-Q468 HydrophobicContact CD1-CB 4.39Å; L464-Q468 PolarHBondContact N-O 2.79Å; G466-Q468 PolarHBondContact O-N 2.94Å
469T82.7Confident80.5Confident89 Ų8960.4 Ų60.455%0.54635%0.345SS..EExtended strand (participates in β ladder)trans-106.5142173.545.90000110.9I462 Q463I462-T469 CarbonylContact O-C 3.54Å; I462-T469 VanDerWaalsContact O-CA 3.32Å; I462-T469 WeakPolarHBondContact O-CA 3.3Å; Q463-T469 HydrophobicContact CB-CG2 4.31Å; Q463-T469 HydrophobicContact CG-CG2 4.37Å
470A83.3Confident80.2Confident17 Ų1763.4 Ų63.414%0.1438%0.382CS..EExtended strand (participates in β ladder)trans-131.6136.4175.500000110.8I462 L464 P479I462-A470 PolarHBondContact N-O 2.64Å; I462-A470 PolarHBondContact O-N 3.04Å; L464-A470 HydrophobicContact CD1-CB 4.23Å; A470-P479 HydrophobicContact CB-CG 3.86Å
471D88Confident79.8Confident82 Ų8264.9 Ų64.944%0.43939%0.391SS..EExtended strand (participates in β ladder)trans-91.3127.1173.3-69.4-19.1000109.1T459 A460 R461T459-D471 HydrophobicContact CG2-CB 3.88Å; A460-D471 WeakPolarHBondContact O-CA 3.41Å; R461-D471 WeakPolarHBondContact CA-OD1 3.47Å; R461-D471 WeakPolarHBondContact CB-OD1 3.33Å; R461-D471 WeakPolarHBondContact CG-OD1 3.34Å; R461-D471 IonicContact CZ-OD1 3.4Å; R461-D471 IonicContact CZ-OD2 3.9Å; R461-D471 IonicContact NE-OD1 2.78Å; R461-D471 PolarHBondContact NE-OD1 2.96Å; R461-D471 IonicContact NE-OD2 3.5Å; R461-D471 IonicContact NH2-OD1 3.4Å; R461-D471 IonicContact NH2-OD2 2.68Å; R461-D471 PolarHBondContact NH2-OD2 3.36Å
472V85.8Confident79.5Confident2 Ų266.9 Ų66.91%0.01241%0.413CS..EExtended strand (participates in β ladder)trans-130.5151-178.8-66.60000111.7A460 I462 V485A460-V472 HydrophobicContact CB-CG2 4.17Å; A460-V472 PolarHBondContact N-O 3.12Å; A460-V472 WeakPolarHBondContact O-CG2 3.37Å; A460-V472 PolarHBondContact O-N 2.85Å; I462-V472 HydrophobicContact CD1-CG2 3.24Å; I462-V472 HydrophobicContact CG1-CG2 3.77Å; V472-V485 HydrophobicContact CB-CG2 3.99Å; V472-V485 HydrophobicContact CG2-CG2 3.55Å
473K85Confident79.1Confident91 Ų9171.3 Ų71.340%0.39643%0.432SS..  trans-112.4164.2174.2-61.9-176.5179.1-177.60110.6T459 G475 Q476T459-K473 HydrophobicContact CG2-CG 4.23Å; K473-G475 PolarHBondContact O-N 3.3Å; K473-Q476 HydrophobicContact CB-CG 4.48Å; K473-Q476 WeakPolarHBondContact O-CB 3.42Å; K473-Q476 PolarHBondContact O-N 3Å; K473-Q476 VanDerWaalsContact O-N 3.07Å
474E83.6Confident79Confident86 Ų8675.2 Ų75.240%0.40244%0.443SS..THydrogen-bonded Turntrans-48.5133.8170.1-73.4-173.1161.800111Q476 K487 I488E474-Q476 PolarHBondContact O-N 3.15Å; E474-K487 WeakPolarHBondContact OE1-CA 3.38Å; E474-K487 VanDerWaalsContact OE1-CG 3.23Å; E474-K487 WeakPolarHBondContact OE1-CG 3.38Å; E474-I488 HydrophobicContact CG-CB 4.12Å; E474-I488 HydrophobicContact CG-CD1 4.12Å; E474-I488 HydrophobicContact CG-CG1 3.77Å; E474-I488 PolarHBondContact OE1-N 3.27Å
475G81.3Confident78.9Confident34 Ų3475 Ų7535%0.35144%0.442SS..THydrogen-bonded Turntrans86.4-12.4-178.300000116K473 R484 V485K473-G475 PolarHBondContact O-N 3.3Å; G475-R484 PolarHBondContact O-NE 3.27Å; G475-V485 WeakPolarHBondContact CA-O 3.23Å; G475-V485 PolarHBondContact N-O 2.87Å
476Q85Confident79.6Confident95 Ų9580.3 Ų80.344%0.44446%0.461SS..PPolyproline II helixtrans-85.9153.4179.2-65.7-175.6-2900112.9K473 E474 V485K473-Q476 HydrophobicContact CB-CG 4.48Å; K473-Q476 WeakPolarHBondContact O-CB 3.42Å; K473-Q476 PolarHBondContact O-N 3Å; K473-Q476 VanDerWaalsContact O-N 3.07Å; E474-Q476 PolarHBondContact O-N 3.15Å; Q476-V485 PolarHBondContact O-N 3.41Å
477H83.9Confident79.6Confident119 Ų11984.5 Ų84.555%0.55146%0.459SS*.BIsolated β-bridgetrans-81.4142.5171-81.9-57.4000111.4P479 F483H477-P479 WeakPolarHBondContact O-CD 3.32Å; H477-F483 WeakPolarHBondContact CA-O 3.48Å; H477-F483 PolarHBondContact ND1-O 3.29Å; H477-F483 VanDerWaalsContact ND1-O 3.08Å
478I82Confident79.5Confident16 Ų1682.7 Ų82.78%0.08244%0.438CS..PPolyproline II helixtrans-77.2117.9174.6-57.7176000108.1P446 I462 L464 G480 T481 F483 V485P446-I478 HydrophobicContact CB-CD1 4.21Å; P446-I478 HydrophobicContact CB-CG2 3.93Å; P446-I478 HydrophobicContact CG-CD1 3.92Å; P446-I478 HydrophobicContact CG-CG2 3.94Å; I462-I478 HydrophobicContact CD1-CD1 3.56Å; I462-I478 HydrophobicContact CD1-CG1 3.84Å; I462-I478 HydrophobicContact CG2-CG2 4.27Å; L464-I478 HydrophobicContact CD2-CG2 3.49Å; L464-I478 VanDerWaalsContact CD2-CG2 3.49Å; I478-G480 PolarHBondContact O-N 3.4Å; I478-T481 WeakPolarHBondContact CB-OG1 3.33Å; I478-T481 HydrophobicContact CG2-CG2 4.42Å; I478-T481 PolarHBondContact O-N 2.78Å; I478-T481 PolarHBondContact O-OG1 2.97Å; I478-F483 HydrophobicContact CD1-CB 4.08Å; I478-F483 PolarHBondContact N-O 2.76Å; I478-V485 HydrophobicContact CD1-CG2 4.49Å; I478-V485 HydrophobicContact CG1-CG2 4.07Å
479P75.7Confident78.5Confident67 Ų6780.2 Ų80.244%0.43543%0.433SS..THydrogen-bonded Turntrans-53.9132.9-173.6-25.833.8000112.6L464 A470 H477 T481L464-P479 HydrophobicContact CD1-CB 4.35Å; L464-P479 WeakPolarHBondContact CD1-O 3.39Å; L464-P479 WeakPolarHBondContact CD2-O 3.45Å; A470-P479 HydrophobicContact CB-CG 3.86Å; H477-P479 WeakPolarHBondContact O-CD 3.32Å; P479-T481 VanDerWaalsContact C-N 3.29Å; P479-T481 PolarHBondContact O-N 3.25Å
480G75.1Confident77.1Confident91 Ų9180.4 Ų80.494%0.93843%0.434SS*.THydrogen-bonded Turntrans78.45.8-179.300000115.2I478I478-G480 PolarHBondContact O-N 3.4Å
481T72.3Confident75.1Confident33 Ų3385.7 Ų85.720%0.20246%0.46CS..SBendtrans-132165.4175.175.80000111.8P446 I478 P479 F483P446-T481 HydrophobicContact CG-CG2 3.92Å; I478-T481 WeakPolarHBondContact CB-OG1 3.33Å; I478-T481 HydrophobicContact CG2-CG2 4.42Å; I478-T481 PolarHBondContact O-N 2.78Å; I478-T481 PolarHBondContact O-OG1 2.97Å; P479-T481 VanDerWaalsContact C-N 3.29Å; P479-T481 PolarHBondContact O-N 3.25Å; T481-F483 VanDerWaalsContact C-N 3.28Å; T481-F483 HydrophobicContact CG2-CD2 4.31Å; T481-F483 PolarHBondContact OG1-N 3.42Å
482T76.4Confident72.9Confident131 Ų13185.7 Ų85.780%0.80447%0.466SS*.SBendtrans-83.1-3.5172.750.30000113.1
483F74.6Confident70.8Confident104 Ų10487 Ų8746%0.45647%0.474SS..  trans-75.8145.3-176.1-60.2-67.1000112.3P446 H477 I478 T481P446-F483 HydrophobicContact CG-CD2 4.03Å; H477-F483 WeakPolarHBondContact CA-O 3.48Å; H477-F483 PolarHBondContact ND1-O 3.29Å; H477-F483 VanDerWaalsContact ND1-O 3.08Å; I478-F483 HydrophobicContact CD1-CB 4.08Å; I478-F483 PolarHBondContact N-O 2.76Å; T481-F483 VanDerWaalsContact C-N 3.28Å; T481-F483 HydrophobicContact CG2-CD2 4.31Å; T481-F483 PolarHBondContact OG1-N 3.42Å
484R79.8Confident69Low166 Ų16687.3 Ų87.363%0.62648%0.484SS*.BIsolated β-bridgetrans-121.8136.9175.8-168.1178176.1-160.5-5.5109G475 E486G475-R484 PolarHBondContact O-NE 3.27Å; R484-E486 PolarHBondContact O-N 3.05Å
485V78.4Confident67.4Low16 Ų1683.9 Ų83.910%0.09747%0.468CS..  trans-74.2108.6177-175.40000108.7V472 G475 Q476 I478 I488V472-V485 HydrophobicContact CB-CG2 3.99Å; V472-V485 HydrophobicContact CG2-CG2 3.55Å; G475-V485 WeakPolarHBondContact CA-O 3.23Å; G475-V485 PolarHBondContact N-O 2.87Å; Q476-V485 PolarHBondContact O-N 3.41Å; I478-V485 HydrophobicContact CD1-CG2 4.49Å; I478-V485 HydrophobicContact CG1-CG2 4.07Å; V485-I488 HydrophobicContact CG1-CD1 4.11Å; V485-I488 HydrophobicContact CG1-CG1 3.6Å
486E74.9Confident66.1Low186 Ų18688.1 Ų88.187%0.86948%0.478SS*.  trans-82.6-40.2-178.4-154.6178.1-154.500112.1R484R484-E486 PolarHBondContact O-N 3.05Å
487K72Confident64.8Low158 Ų15892.6 Ų92.669%0.68750%0.5SS*.  trans-153.2145.4178.9-159.4175-177.1177.50111.1E474 T489E474-K487 WeakPolarHBondContact OE1-CA 3.38Å; E474-K487 VanDerWaalsContact OE1-CG 3.23Å; E474-K487 WeakPolarHBondContact OE1-CG 3.38Å; K487-T489 HydrophobicContact CD-CG2 4.3Å; K487-T489 HydrophobicContact CG-CG2 4.44Å
488I70.4Confident63.6Low12 Ų1293.5 Ų93.56%0.06251%0.508CS..  trans-118.4109.5170.8-53.7169.2000107.8I451 I458 A460 E474 V485I451-I488 HydrophobicContact CD1-CG2 3.86Å; I451-I488 HydrophobicContact CG1-CG2 4.18Å; I451-I488 HydrophobicContact CG2-CG2 4.02Å; I458-I488 HydrophobicContact CB-CG2 4.48Å; I458-I488 HydrophobicContact CG2-CB 4.09Å; I458-I488 HydrophobicContact CG2-CD1 4.46Å; I458-I488 HydrophobicContact CG2-CG2 3.48Å; I458-I488 VanDerWaalsContact CG2-CG2 3.48Å; A460-I488 HydrophobicContact CB-CD1 3.78Å; A460-I488 HydrophobicContact CB-CG1 4.22Å; A460-I488 HydrophobicContact CB-CG2 4.37Å; E474-I488 HydrophobicContact CG-CB 4.12Å; E474-I488 HydrophobicContact CG-CD1 4.12Å; E474-I488 HydrophobicContact CG-CG1 3.77Å; E474-I488 PolarHBondContact OE1-N 3.27Å; V485-I488 HydrophobicContact CG1-CD1 4.11Å; V485-I488 HydrophobicContact CG1-CG1 3.6Å
489T57.5Low63.3Low90 Ų9093 Ų9355%0.55251%0.506SS*.  trans-96.4127.7176.445.80000110I451 K487 D491I451-T489 WeakPolarHBondContact CD1-O 3.25Å; K487-T489 HydrophobicContact CD-CG2 4.3Å; K487-T489 HydrophobicContact CG-CG2 4.44Å; T489-D491 PolarHBondContact O-N 3.02Å
490T53.9Low63.6Low93 Ų9393.8 Ų93.857%0.57150%0.504SS*.  trans-62.1127.7165.644.50000108.1I458 S492I458-T490 HydrophobicContact CD1-CG2 4.21Å; T490-S492 PolarHBondContact O-N 3.08Å
491D42.4Very low63.9Low128 Ų12889.7 Ų89.768%0.68446%0.461SS*.  trans-41.6111.1-175.4-65.6-44000110.4T489T489-D491 PolarHBondContact O-N 3.02Å
492S41.2Very low64.4Low81 Ų8190.3 Ų90.357%0.56647%0.465SS*.  trans-34.4140.5144.737.30000108.1T490 V494T490-S492 PolarHBondContact O-N 3.08Å; S492-V494 PolarHBondContact O-N 3.44Å; S492-V494 WeakPolarHBondContact OG-CG2 3.31Å
493V42.1Very low64.7Low29 Ų2990.9 Ų90.918%0.17646%0.463CS..  trans-63.287.1163.3-179.70000105.4L495 I519 Y544 K547V493-L495 VanDerWaalsContact C-N 3.34Å; V493-L495 PolarHBondContact O-N 3.31Å; V493-L495 VanDerWaalsContact O-N 3.15Å; V493-I519 HydrophobicContact CG1-CD1 4.44Å; V493-Y544 HydrophobicContact CG1-CD1 4.16Å; V493-Y544 HydrophobicContact CG1-CE1 3.59Å; V493-K547 HydrophobicContact CG2-CD 4.35Å
494V46.4Very low65.1Low99 Ų9990.9 Ų90.960%0.647%0.468SS*.  trans-72.6104.6165.6-176.60000101.9S492 E496S492-V494 PolarHBondContact O-N 3.44Å; S492-V494 WeakPolarHBondContact OG-CG2 3.31Å; V494-E496 PolarHBondContact O-N 3.48Å
495L50.8Low65.5Low13 Ų1383.1 Ų83.17%0.06844%0.439CS..  trans-48.2115163.5-73162.6000105.2V493 D499 V511 I519 L540 Y544V493-L495 VanDerWaalsContact C-N 3.34Å; V493-L495 PolarHBondContact O-N 3.31Å; V493-L495 VanDerWaalsContact O-N 3.15Å; L495-D499 HydrophobicContact CB-CB 3.95Å; L495-D499 HydrophobicContact CD2-CB 3.7Å; L495-D499 HydrophobicContact CG-CB 4.45Å; L495-V511 HydrophobicContact CD1-CB 4.22Å; L495-V511 HydrophobicContact CD1-CG1 3.52Å; L495-I519 HydrophobicContact CD2-CD1 4.12Å; L495-L540 HydrophobicContact CD2-CD1 3.9Å; L495-Y544 HydrophobicContact CD2-CD2 4.37Å; L495-Y544 HydrophobicContact CD2-CE2 3.73Å
496E53.3Low65.8Low123 Ų12384.3 Ų84.358%0.57545%0.445SS*.  trans-54155.5176.4-69.7-172.4169.800107.8V494 N498 D499V494-E496 PolarHBondContact O-N 3.48Å; E496-N498 PolarHBondContact O-N 3.09Å; E496-D499 WeakPolarHBondContact O-CA 3.2Å; E496-D499 WeakPolarHBondContact O-CB 3.32Å; E496-D499 PolarHBondContact O-N 3.09Å
497Q57.5Low66.2Low190 Ų19080.3 Ų80.389%0.88843%0.429SS*.G310 helixtrans-51.6-26.9177.3-117.1176.7-8.500112.4
498N59.8Low67Low137 Ų13775.4 Ų75.473%0.73341%0.407SS*.G310 helixtrans-78.2-9.9175.6-70-25000115.5E496E496-N498 PolarHBondContact O-N 3.09Å
499D75.5Confident67.8Low7 Ų774.9 Ų74.94%0.03740%0.404CS..G310 helixtrans-101.7-7.7178.3-75.2-37.8000113.6L495 E496 Y536 R543 Y544L495-D499 HydrophobicContact CB-CB 3.95Å; L495-D499 HydrophobicContact CD2-CB 3.7Å; L495-D499 HydrophobicContact CG-CB 4.45Å; E496-D499 WeakPolarHBondContact O-CA 3.2Å; E496-D499 WeakPolarHBondContact O-CB 3.32Å; E496-D499 PolarHBondContact O-N 3.09Å; D499-Y536 WeakPolarHBondContact O-CE2 3.44Å; D499-Y536 PolarHBondContact O-OH 3.4Å; D499-R543 WeakPolarHBondContact OD1-CD 3.05Å; D499-R543 IonicContact OD1-CZ 2.77Å; D499-R543 IonicContact OD1-NE 3.33Å; D499-R543 IonicContact OD1-NH1 2.7Å; D499-R543 PolarHBondContact OD1-NH1 2.9Å; D499-Y544 HydrophobicContact CB-CE2 4.39Å; D499-Y544 WeakPolarHBondContact OD2-CE2 3.37Å; D499-Y544 PolarHBondContact OD2-OH 2.81Å
500Q80.8Confident69.2Low83 Ų8371.5 Ų71.539%0.38838%0.383SS..SBendtrans-66.9154.3168.2-71.5-67.1-25.600110.3Y536Q500-Y536 WeakPolarHBondContact O-CE2 3.23Å
501P82.5Confident70.7Confident5 Ų567.8 Ų67.83%0.03236%0.36CS..PPolyproline II helixtrans-56.7130.8174.3-15.826.6000109.3I505 L506 V509 V511 Y536P501-I505 HydrophobicContact CB-CD1 4.08Å; P501-I505 HydrophobicContact CB-CG1 3.83Å; P501-L506 HydrophobicContact CB-CD2 4.11Å; P501-L506 HydrophobicContact CG-CD2 4.42Å; P501-L506 WeakPolarHBondContact O-CD2 3.48Å; P501-L506 WeakPolarHBondContact O-CG 3.28Å; P501-V509 HydrophobicContact CB-CB 4.2Å; P501-V509 HydrophobicContact CB-CG1 4.49Å; P501-V509 HydrophobicContact CG-CB 4.19Å; P501-V509 HydrophobicContact CG-CG1 4.1Å; P501-V511 HydrophobicContact CG-CG2 4.14Å; P501-Y536 HydrophobicContact CB-CE1 4.16Å; P501-Y536 HydrophobicContact CB-CE2 4.33Å; P501-Y536 WeakPolarHBondContact CD-OH 3.18Å; P501-Y536 HydrophobicContact CG-CE1 4.02Å; P501-Y536 HydrophobicContact CG-CE2 4.5Å
502P82.1Confident72.7Confident46 Ų4666.1 Ų66.130%0.29935%0.351SS..PPolyproline II helixtrans-61156.417619.5-28.5000111.7D504 I505 L506P502-D504 WeakPolarHBondContact CB-OD1 3.3Å; P502-D504 WeakPolarHBondContact CG-OD1 3.42Å; P502-D504 PolarHBondContact O-N 3.16Å; P502-I505 HydrophobicContact CG-CD1 4.14Å; P502-I505 HydrophobicContact CG-CG1 3.97Å; P502-I505 WeakPolarHBondContact O-CG1 3.4Å; P502-I505 PolarHBondContact O-N 3.14Å; P502-L506 PolarHBondContact O-N 3.44Å
503D82Confident74.5Confident142 Ų14264 Ų6476%0.75934%0.335SS*.THydrogen-bonded Turntrans-53.2-30.3-171.2-68.5-17.7000114.1I505 L506D503-I505 VanDerWaalsContact C-N 3.31Å; D503-I505 PolarHBondContact O-N 2.74Å; D503-L506 HydrophobicContact CB-CD1 4.32Å; D503-L506 WeakPolarHBondContact OD1-CD1 3.41Å
504D84.6Confident76.1Confident105 Ų10564.9 Ų64.956%0.56134%0.339SS*.THydrogen-bonded Turntrans-72.4-19.518068.3-34.5000114.4P502P502-D504 WeakPolarHBondContact CB-OD1 3.3Å; P502-D504 WeakPolarHBondContact CG-OD1 3.42Å; P502-D504 PolarHBondContact O-N 3.16Å
505I88.2Confident77.2Confident3 Ų370.8 Ų70.82%0.01536%0.356CS..THydrogen-bonded Turntrans-120.3-0.317769.6169.5000113.5P501 P502 D503 D507 Y508 V509 A532 V533 Y536P501-I505 HydrophobicContact CB-CD1 4.08Å; P501-I505 HydrophobicContact CB-CG1 3.83Å; P502-I505 HydrophobicContact CG-CD1 4.14Å; P502-I505 HydrophobicContact CG-CG1 3.97Å; P502-I505 WeakPolarHBondContact O-CG1 3.4Å; P502-I505 PolarHBondContact O-N 3.14Å; D503-I505 VanDerWaalsContact C-N 3.31Å; D503-I505 PolarHBondContact O-N 2.74Å; I505-D507 PolarHBondContact O-N 3.19Å; I505-Y508 CarbonylContact O-C 3.48Å; I505-Y508 WeakPolarHBondContact O-CA 3.29Å; I505-Y508 PolarHBondContact O-N 3.01Å; I505-V509 HydrophobicContact CB-CG2 4.48Å; I505-V509 HydrophobicContact CD1-CG2 4.13Å; I505-V509 PolarHBondContact O-N 2.82Å; I505-A532 HydrophobicContact CG2-CB 3.5Å; I505-A532 VanDerWaalsContact CG2-CB 3.5Å; I505-V533 HydrophobicContact CB-CG2 4.09Å; I505-V533 HydrophobicContact CG2-CG2 3.85Å; I505-Y536 HydrophobicContact CD1-CD1 3.73Å; I505-Y536 HydrophobicContact CD1-CD2 4.28Å; I505-Y536 HydrophobicContact CD1-CG 3.53Å
506L83.7Confident78.3Confident41 Ų4175.9 Ų75.922%0.21539%0.388CS..G310 helixtrans-49.5-46.4178-89.7-176000110.4P501 P502 D503 Y508 V509 R563P501-L506 HydrophobicContact CB-CD2 4.11Å; P501-L506 HydrophobicContact CG-CD2 4.42Å; P501-L506 WeakPolarHBondContact O-CD2 3.48Å; P501-L506 WeakPolarHBondContact O-CG 3.28Å; P502-L506 PolarHBondContact O-N 3.44Å; D503-L506 HydrophobicContact CB-CD1 4.32Å; D503-L506 WeakPolarHBondContact OD1-CD1 3.41Å; L506-Y508 PolarHBondContact O-N 3.43Å; L506-V509 PolarHBondContact O-N 2.94Å; L506-V509 VanDerWaalsContact O-O 3.09Å; L506-R563 VanDerWaalsContact CB-NH2 3.29Å; L506-R563 PolarHBondContact O-NE 3.03Å; L506-R563 PolarHBondContact O-NH2 3.32Å
507D83.5Confident79.1Confident101 Ų10170.8 Ų70.854%0.5437%0.368SS..G310 helixtrans-63.5-16.6179.8-67-19.1000114.1I505 L556I505-D507 PolarHBondContact O-N 3.19Å; D507-L556 WeakPolarHBondContact O-CD1 3.4Å
508Y88Confident80.2Confident56 Ų5665.6 Ų65.622%0.2234%0.344CS..G310 helixtrans-111.9-13-174.2-48.4-42.8000114.5I505 L506 V523 V524 K527 L530 L556 I559I505-Y508 CarbonylContact O-C 3.48Å; I505-Y508 WeakPolarHBondContact O-CA 3.29Å; I505-Y508 PolarHBondContact O-N 3.01Å; L506-Y508 PolarHBondContact O-N 3.43Å; Y508-V523 CarbonylContact O-C 3.51Å; Y508-V523 WeakPolarHBondContact O-CA 3.19Å; Y508-V524 HydrophobicContact CD1-CG2 4.36Å; Y508-V524 PolarHBondContact O-N 3.04Å; Y508-K527 HydrophobicContact CD1-CB 4.32Å; Y508-K527 HydrophobicContact CD1-CD 4.07Å; Y508-K527 HydrophobicContact CD1-CG 3.66Å; Y508-K527 HydrophobicContact CD2-CB 4.39Å; Y508-K527 HydrophobicContact CD2-CD 4.28Å; Y508-K527 HydrophobicContact CD2-CG 4.31Å; Y508-K527 HydrophobicContact CE1-CD 3.95Å; Y508-K527 HydrophobicContact CE1-CG 4.03Å; Y508-K527 HydrophobicContact CE2-CD 4.14Å; Y508-K527 HydrophobicContact CG-CB 3.99Å; Y508-K527 HydrophobicContact CG-CD 4.23Å; Y508-K527 HydrophobicContact CG-CG 3.82Å; Y508-L530 HydrophobicContact CD2-CD1 4.24Å; Y508-L530 HydrophobicContact CE2-CD1 4.2Å; Y508-L556 HydrophobicContact CD1-CD1 3.65Å; Y508-L556 HydrophobicContact CE1-CD1 3.84Å; Y508-I559 VanDerWaalsContact O-CD1 3.28Å; Y508-I559 WeakPolarHBondContact O-CD1 3.32Å
509V87.4Confident81.3Confident0 Ų059.1 Ų59.10%031%0.31CS..EExtended strand (participates in β ladder)trans-136129.4-175.7-172.80000110P501 I505 L506 V511 V521 R522 V523 V533 Y536 R563P501-V509 HydrophobicContact CB-CB 4.2Å; P501-V509 HydrophobicContact CB-CG1 4.49Å; P501-V509 HydrophobicContact CG-CB 4.19Å; P501-V509 HydrophobicContact CG-CG1 4.1Å; I505-V509 HydrophobicContact CB-CG2 4.48Å; I505-V509 HydrophobicContact CD1-CG2 4.13Å; I505-V509 PolarHBondContact O-N 2.82Å; L506-V509 PolarHBondContact O-N 2.94Å; L506-V509 VanDerWaalsContact O-O 3.09Å; V509-V511 HydrophobicContact CG1-CG2 4.14Å; V509-V521 HydrophobicContact CG1-CG1 4.02Å; V509-R522 WeakPolarHBondContact CA-O 3.35Å; V509-V523 HydrophobicContact CG1-CG2 4.35Å; V509-V523 HydrophobicContact CG2-CG1 4.37Å; V509-V523 HydrophobicContact CG2-CG2 4.31Å; V509-V533 HydrophobicContact CG2-CG1 3.95Å; V509-V533 HydrophobicContact CG2-CG2 4.05Å; V509-Y536 HydrophobicContact CG1-CD1 4.23Å; V509-Y536 HydrophobicContact CG1-CE1 3.83Å; V509-R563 PolarHBondContact O-NH2 2.65Å
510V87.3Confident81.9Confident19 Ų1961 Ų6112%0.11532%0.318CS..EExtended strand (participates in β ladder)trans-118.2137.2168119.30000108.4R522 I559 L562 R563V510-R522 HydrophobicContact CG1-CB 4.21Å; V510-R522 PolarHBondContact N-O 3.2Å; V510-R522 PolarHBondContact O-N 3.37Å; V510-I559 HydrophobicContact CB-CG1 4.5Å; V510-I559 HydrophobicContact CB-CG2 4.38Å; V510-I559 HydrophobicContact CG2-CG2 4.41Å; V510-L562 HydrophobicContact CG1-CD1 4.1Å; V510-R563 HydrophobicContact CG2-CG 3.87Å
511V86.6Confident82.3Confident15 Ų1557.1 Ų57.19%0.09130%0.3CS..EExtended strand (participates in β ladder)trans-124.8128.6173.9-174.10000108.2L495 P501 V509 I519 H520 V521 Y536 L540L495-V511 HydrophobicContact CD1-CB 4.22Å; L495-V511 HydrophobicContact CD1-CG1 3.52Å; P501-V511 HydrophobicContact CG-CG2 4.14Å; V509-V511 HydrophobicContact CG1-CG2 4.14Å; V511-I519 HydrophobicContact CG1-CG2 3.24Å; V511-H520 WeakPolarHBondContact CA-O 3.47Å; V511-V521 HydrophobicContact CG1-CG2 4.2Å; V511-V521 HydrophobicContact CG2-CG1 4.14Å; V511-V521 HydrophobicContact CG2-CG2 4.09Å; V511-Y536 HydrophobicContact CG2-CE1 4.01Å; V511-Y536 VanDerWaalsContact CG2-OH 3.23Å; V511-Y536 WeakPolarHBondContact CG2-OH 3.38Å; V511-L540 HydrophobicContact CG1-CD2 4.46Å; V511-L540 HydrophobicContact CG2-CD2 4.33Å
512D83Confident82.7Confident93 Ų9359.6 Ų59.650%0.49731%0.309SS..EExtended strand (participates in β ladder)trans-126.9151.6175.3-171.916.7000108.9I519 H520D512-I519 CarbonylContact O-C 3.59Å; D512-H520 PolarHBondContact N-O 2.96Å; D512-H520 PolarHBondContact O-N 3.27Å
513T79Confident82.9Confident36 Ų3657.4 Ų57.422%0.22130%0.295CS..EExtended strand (participates in β ladder)trans-117.2120.3177.6-540000108.3Q518T513-Q518 WeakPolarHBondContact CA-O 3.4Å
514D76.5Confident83.2Confident49 Ų4951.3 Ų51.326%0.26226%0.262SS..  trans-72.4173.11787125.3000112.1T516 G517 Q518 H520D514-T516 PolarHBondContact O-N 3.41Å; D514-T516 VanDerWaalsContact OD1-CA 3.3Å; D514-T516 WeakPolarHBondContact OD1-CA 3.31Å; D514-T516 WeakPolarHBondContact OD1-CB 3.4Å; D514-T516 PolarHBondContact OD1-N 3.46Å; D514-T516 PolarHBondContact OD1-OG1 2.92Å; D514-T516 PolarHBondContact OD2-OG1 2.83Å; D514-G517 PolarHBondContact O-N 2.79Å; D514-G517 PolarHBondContact OD1-N 2.87Å; D514-Q518 PolarHBondContact N-O 2.81Å; D514-Q518 PolarHBondContact OD1-N 2.83Å; D514-Q518 WeakPolarHBondContact OD2-CB 3.33Å; D514-H520 IonicContact OD2-CD2 3.37Å; D514-H520 IonicContact OD2-CE1 3.62Å; D514-H520 IonicContact OD2-NE2 3.07Å; D514-H520 PolarHBondContact OD2-NE2 2.78Å
515K69.4Low83.1Confident223 Ų22350.2 Ų50.297%0.9725%0.254SS*.THydrogen-bonded Turntrans-61.3-13.9-179.9-62.5-177.8-178.9177.70113.9
516T73.2Confident82.7Confident119 Ų11953.5 Ų53.573%0.7329%0.288SS*.THydrogen-bonded Turntrans-93.2-4.3177.373.90000112.8D514D514-T516 PolarHBondContact O-N 3.41Å; D514-T516 VanDerWaalsContact OD1-CA 3.3Å; D514-T516 WeakPolarHBondContact OD1-CA 3.31Å; D514-T516 WeakPolarHBondContact OD1-CB 3.4Å; D514-T516 PolarHBondContact OD1-N 3.46Å; D514-T516 PolarHBondContact OD1-OG1 2.92Å; D514-T516 PolarHBondContact OD2-OG1 2.83Å
517G70.4Confident82.8Confident16 Ų1655 Ų5517%0.16529%0.293CS..SBendtrans82.614-175.200000113.4D514D514-G517 PolarHBondContact O-N 2.79Å; D514-G517 PolarHBondContact OD1-N 2.87Å
518Q80.3Confident82.9Confident82 Ų8252.4 Ų52.438%0.38328%0.277SS..  trans-83.8132.2174.9-156.2174.358.400109.4T513 D514 K547T513-Q518 WeakPolarHBondContact CA-O 3.4Å; D514-Q518 PolarHBondContact N-O 2.81Å; D514-Q518 PolarHBondContact OD1-N 2.83Å; D514-Q518 WeakPolarHBondContact OD2-CB 3.33Å; Q518-K547 WeakPolarHBondContact CA-O 3.5Å; Q518-K547 VanDerWaalsContact CG-O 3.3Å; Q518-K547 WeakPolarHBondContact CG-O 3.17Å
519I84.2Confident82.8Confident0 Ų057.1 Ų57.10%030%0.301CS..EExtended strand (participates in β ladder)trans-94.2114.2-174.1-60167.7000108.4V493 L495 V511 D512 V521 L540 Y544 K547 V548 S549V493-I519 HydrophobicContact CG1-CD1 4.44Å; L495-I519 HydrophobicContact CD2-CD1 4.12Å; V511-I519 HydrophobicContact CG1-CG2 3.24Å; D512-I519 CarbonylContact O-C 3.59Å; I519-V521 HydrophobicContact CG2-CG2 4.1Å; I519-L540 HydrophobicContact CG2-CD2 4.22Å; I519-Y544 HydrophobicContact CD1-CD1 4.06Å; I519-Y544 HydrophobicContact CD1-CD2 3.78Å; I519-Y544 HydrophobicContact CD1-CE2 4.39Å; I519-Y544 HydrophobicContact CD1-CG 3.6Å; I519-K547 PolarHBondContact N-O 3Å; I519-V548 HydrophobicContact CB-CG2 4.32Å; I519-V548 HydrophobicContact CD1-CG2 4.33Å; I519-V548 WeakPolarHBondContact O-CA 3.39Å; I519-S549 PolarHBondContact O-N 3.34Å; I519-S549 PolarHBondContact O-OG 2.85Å
520H88.3Confident82.8Confident47 Ų4760.5 Ų60.522%0.21832%0.318CS..EExtended strand (participates in β ladder)trans-96.9123.5177.4-63.7-75.1000110.7V511 D512 D514 S549V511-H520 WeakPolarHBondContact CA-O 3.47Å; D512-H520 PolarHBondContact N-O 2.96Å; D512-H520 PolarHBondContact O-N 3.27Å; D514-H520 IonicContact OD2-CD2 3.37Å; D514-H520 IonicContact OD2-CE1 3.62Å; D514-H520 IonicContact OD2-NE2 3.07Å; D514-H520 PolarHBondContact OD2-NE2 2.78Å; H520-S549 WeakPolarHBondContact CA-OG 3.19Å; H520-S549 PolarHBondContact ND1-OG 2.96Å
521V88.8Confident82.9Confident2 Ų269 Ų691%0.01235%0.348CS..EExtended strand (participates in β ladder)trans-118.1121.8-175.3-175.30000110.1V509 V511 I519 V523 L537 L540 V548 F551 E552V509-V521 HydrophobicContact CG1-CG1 4.02Å; V511-V521 HydrophobicContact CG1-CG2 4.2Å; V511-V521 HydrophobicContact CG2-CG1 4.14Å; V511-V521 HydrophobicContact CG2-CG2 4.09Å; I519-V521 HydrophobicContact CG2-CG2 4.1Å; V521-V523 HydrophobicContact CG1-CG2 4.04Å; V521-L537 HydrophobicContact CG1-CD2 3.51Å; V521-L540 HydrophobicContact CG2-CD2 3.56Å; V521-V548 HydrophobicContact CG2-CG1 3.8Å; V521-F551 HydrophobicContact CB-CD1 3.93Å; V521-F551 HydrophobicContact CB-CE1 4.43Å; V521-F551 HydrophobicContact CG1-CD1 4.18Å; V521-F551 HydrophobicContact CG2-CD1 4.45Å; V521-E552 PolarHBondContact O-N 3.47Å
522R89.4Confident83Confident57 Ų5769.7 Ų69.722%0.21536%0.356CS..EExtended strand (participates in β ladder)trans-111.6132174.9-65.7177-178.796.57.5110.3V509 V510 E552 T554V509-R522 WeakPolarHBondContact CA-O 3.35Å; V510-R522 HydrophobicContact CG1-CB 4.21Å; V510-R522 PolarHBondContact N-O 3.2Å; V510-R522 PolarHBondContact O-N 3.37Å; R522-E552 CarbonylContact C-O 3.56Å; R522-E552 VanDerWaalsContact CA-O 3.25Å; R522-E552 WeakPolarHBondContact CA-O 3.43Å; R522-E552 HydrophobicContact CG-CB 4.08Å; R522-E552 HydrophobicContact CG-CG 4.39Å; R522-E552 IonicContact CZ-OE2 2.72Å; R522-E552 IonicContact NE-OE2 2.8Å; R522-E552 PolarHBondContact NE-OE2 2.04Å; R522-E552 IonicContact NH2-OE2 2.72Å; R522-E552 PolarHBondContact NH2-OE2 3.06Å; R522-T554 HydrophobicContact CB-CG2 4.15Å
523V88Confident83.3Confident0 Ų065.3 Ų65.30%033%0.332CS..EExtended strand (participates in β ladder)trans-129138-175.2-177.20000110.3Y508 V509 V521 E525 K528 V533 L537 E552 F553 T554Y508-V523 CarbonylContact O-C 3.51Å; Y508-V523 WeakPolarHBondContact O-CA 3.19Å; V509-V523 HydrophobicContact CG1-CG2 4.35Å; V509-V523 HydrophobicContact CG2-CG1 4.37Å; V509-V523 HydrophobicContact CG2-CG2 4.31Å; V521-V523 HydrophobicContact CG1-CG2 4.04Å; V523-E525 PolarHBondContact O-N 2.95Å; V523-K528 HydrophobicContact CG1-CB 4.38Å; V523-V533 HydrophobicContact CG1-CG1 3.71Å; V523-L537 HydrophobicContact CG2-CD1 4.15Å; V523-L537 HydrophobicContact CG2-CD2 4.13Å; V523-E552 PolarHBondContact N-O 3.41Å; V523-F553 HydrophobicContact CB-CD1 4.01Å; V523-F553 HydrophobicContact CB-CE1 4.19Å; V523-F553 HydrophobicContact CG1-CD1 4.39Å; V523-F553 HydrophobicContact CG1-CE1 4.41Å; V523-F553 CarbonylContact O-C 3.46Å; V523-F553 VanDerWaalsContact O-CA 3.31Å; V523-F553 WeakPolarHBondContact O-CA 3.33Å; V523-T554 PolarHBondContact O-N 3.26Å
524V86.7Confident83.9Confident13 Ų1367.4 Ų67.48%0.07934%0.339CS..EExtended strand (participates in β ladder)trans-63121.6172.9176.90000110.1Y508 G526 K527 K528 T554 L556 I559Y508-V524 HydrophobicContact CD1-CG2 4.36Å; Y508-V524 PolarHBondContact O-N 3.04Å; V524-G526 VanDerWaalsContact C-N 3.34Å; V524-G526 PolarHBondContact O-N 2.87Å; V524-K527 HydrophobicContact CB-CB 3.94Å; V524-K527 HydrophobicContact CB-CG 3.91Å; V524-K527 HydrophobicContact CG1-CB 4.19Å; V524-K527 HydrophobicContact CG1-CG 3.73Å; V524-K527 CarbonylContact O-C 3.57Å; V524-K527 WeakPolarHBondContact O-CA 3.08Å; V524-K527 WeakPolarHBondContact O-CB 3.31Å; V524-K527 PolarHBondContact O-N 3.26Å; V524-K528 PolarHBondContact O-N 3.49Å; V524-T554 CarbonylContact C-O 3.58Å; V524-T554 VanDerWaalsContact CA-O 3.27Å; V524-T554 WeakPolarHBondContact CA-O 3.26Å; V524-L556 HydrophobicContact CG2-CB 4.2Å; V524-L556 HydrophobicContact CG2-CD1 3.91Å; V524-I559 HydrophobicContact CB-CD1 4.41Å; V524-I559 HydrophobicContact CG2-CD1 3.44Å; V524-I559 VanDerWaalsContact CG2-CD1 3.44Å
525E83.2Confident84.5Confident83 Ų8368.4 Ų68.439%0.38835%0.345SS..G310 helixtrans-52.5-48.4-175176.163.3-168.800111.9V523 K527 K528 F553 T554V523-E525 PolarHBondContact O-N 2.95Å; E525-K527 PolarHBondContact O-N 3.1Å; E525-K527 VanDerWaalsContact O-N 3.13Å; E525-K528 WeakPolarHBondContact O-CD 3.38Å; E525-K528 VanDerWaalsContact O-CG 3.24Å; E525-K528 WeakPolarHBondContact O-CG 3.49Å; E525-K528 PolarHBondContact O-N 3.01Å; E525-K528 IonicContact OE1-NZ 2.63Å; E525-K528 PolarHBondContact OE1-NZ 2.81Å; E525-K528 IonicContact OE2-NZ 3.51Å; E525-K528 PolarHBondContact OE2-NZ 2.97Å; E525-F553 HydrophobicContact CB-CB 4.24Å; E525-F553 WeakPolarHBondContact OE2-CB 3.47Å; E525-F553 WeakPolarHBondContact OE2-CG 3.47Å; E525-T554 PolarHBondContact N-O 2.78Å
526G80Confident85.6Confident71 Ų7158.1 Ų58.173%0.73230%0.3SS*.G310 helixtrans-68.8-8.4177.600000114.9V524V524-G526 VanDerWaalsContact C-N 3.34Å; V524-G526 PolarHBondContact O-N 2.87Å
527K86.5Confident86.4Confident74 Ų7452.7 Ų52.732%0.32227%0.266SS..G310 helixtrans-113.7-1.6-177.8-58.6-73.6176.5170.90112.1Y508 V524 E525 H529 L530Y508-K527 HydrophobicContact CD1-CB 4.32Å; Y508-K527 HydrophobicContact CD1-CD 4.07Å; Y508-K527 HydrophobicContact CD1-CG 3.66Å; Y508-K527 HydrophobicContact CD2-CB 4.39Å; Y508-K527 HydrophobicContact CD2-CD 4.28Å; Y508-K527 HydrophobicContact CD2-CG 4.31Å; Y508-K527 HydrophobicContact CE1-CD 3.95Å; Y508-K527 HydrophobicContact CE1-CG 4.03Å; Y508-K527 HydrophobicContact CE2-CD 4.14Å; Y508-K527 HydrophobicContact CG-CB 3.99Å; Y508-K527 HydrophobicContact CG-CD 4.23Å; Y508-K527 HydrophobicContact CG-CG 3.82Å; V524-K527 HydrophobicContact CB-CB 3.94Å; V524-K527 HydrophobicContact CB-CG 3.91Å; V524-K527 HydrophobicContact CG1-CB 4.19Å; V524-K527 HydrophobicContact CG1-CG 3.73Å; V524-K527 CarbonylContact O-C 3.57Å; V524-K527 WeakPolarHBondContact O-CA 3.08Å; V524-K527 WeakPolarHBondContact O-CB 3.31Å; V524-K527 PolarHBondContact O-N 3.26Å; E525-K527 PolarHBondContact O-N 3.1Å; E525-K527 VanDerWaalsContact O-N 3.13Å; K527-H529 PolarHBondContact O-N 3.08Å; K527-H529 VanDerWaalsContact O-N 3.11Å; K527-L530 HydrophobicContact CB-CD1 3.8Å; K527-L530 HydrophobicContact CD-CD1 3.3Å; K527-L530 HydrophobicContact CG-CD1 4.13Å; K527-L530 WeakPolarHBondContact O-CB 3.39Å; K527-L530 PolarHBondContact O-N 3.48Å
528K84.1Confident87.4Confident46 Ų4655.8 Ų55.820%0.228%0.282CS..THydrogen-bonded Turntrans-57.6-29.3-179.574.6-169.2178.9-175.50113.7V523 V524 E525 Q534 F553V523-K528 HydrophobicContact CG1-CB 4.38Å; V524-K528 PolarHBondContact O-N 3.49Å; E525-K528 WeakPolarHBondContact O-CD 3.38Å; E525-K528 VanDerWaalsContact O-CG 3.24Å; E525-K528 WeakPolarHBondContact O-CG 3.49Å; E525-K528 PolarHBondContact O-N 3.01Å; E525-K528 IonicContact OE1-NZ 2.63Å; E525-K528 PolarHBondContact OE1-NZ 2.81Å; E525-K528 IonicContact OE2-NZ 3.51Å; E525-K528 PolarHBondContact OE2-NZ 2.97Å; K528-Q534 PolarHBondContact O-NE2 3.48Å; K528-F553 HydrophobicContact CB-CD1 3.89Å; K528-F553 HydrophobicContact CB-CE1 3.51Å; K528-F553 HydrophobicContact CB-CZ 4.44Å; K528-F553 HydrophobicContact CD-CD1 4.07Å; K528-F553 HydrophobicContact CD-CE1 3.93Å; K528-F553 HydrophobicContact CD-CZ 4.33Å; K528-F553 HydrophobicContact CG-CE1 4.36Å
529H86.5Confident87.8Confident154 Ų15458 Ų5871%0.71329%0.287SS*.THydrogen-bonded Turntrans-87.5-1.5-179.8-58.7-62.6000114.1K527 R531K527-H529 PolarHBondContact O-N 3.08Å; K527-H529 VanDerWaalsContact O-N 3.11Å; H529-R531 PolarHBondContact O-N 3.18Å
530L87.5Confident88Confident71 Ų7158.1 Ų58.137%0.37229%0.288SS..  trans-63.8130.9174.1-92.6148.4000109.9Y508 K527 A532 V533 Q534Y508-L530 HydrophobicContact CD2-CD1 4.24Å; Y508-L530 HydrophobicContact CE2-CD1 4.2Å; K527-L530 HydrophobicContact CB-CD1 3.8Å; K527-L530 HydrophobicContact CD-CD1 3.3Å; K527-L530 HydrophobicContact CG-CD1 4.13Å; K527-L530 WeakPolarHBondContact O-CB 3.39Å; K527-L530 PolarHBondContact O-N 3.48Å; L530-A532 VanDerWaalsContact C-N 3.3Å; L530-A532 PolarHBondContact O-N 3.37Å; L530-V533 HydrophobicContact CB-CB 4.26Å; L530-V533 HydrophobicContact CB-CG2 3.98Å; L530-V533 WeakPolarHBondContact O-CB 3.48Å; L530-V533 PolarHBondContact O-N 3Å; L530-V533 VanDerWaalsContact O-N 3.11Å; L530-Q534 PolarHBondContact O-N 2.95Å
531R88.5Confident88Confident198 Ų19858.1 Ų58.175%0.74729%0.292SS*.Hα-helixtrans-56.5-43.5-179.5-174.3176.1178.1176.71.9112.2H529 V533 Q534 D535H529-R531 PolarHBondContact O-N 3.18Å; R531-V533 VanDerWaalsContact C-N 3.31Å; R531-V533 PolarHBondContact O-N 3.35Å; R531-Q534 PolarHBondContact O-N 2.94Å; R531-D535 IonicContact NE-OD2 3.56Å; R531-D535 WeakPolarHBondContact O-CB 3.29Å; R531-D535 PolarHBondContact O-N 3.43Å
532A88.9Confident87.9Confident30 Ų3062.3 Ų62.325%0.24832%0.322CS..Hα-helixtrans-59.9-40.1178.100000112.7I505 L530 Y536I505-A532 HydrophobicContact CG2-CB 3.5Å; I505-A532 VanDerWaalsContact CG2-CB 3.5Å; L530-A532 VanDerWaalsContact C-N 3.3Å; L530-A532 PolarHBondContact O-N 3.37Å; A532-Y536 WeakPolarHBondContact O-CB 3.14Å; A532-Y536 PolarHBondContact O-N 3.36Å
533V89.4Confident87.7Confident0 Ų066.4 Ų66.40%034%0.338CS..Hα-helixtrans-65.6-49.7175.2174.20000110.2I505 V509 V523 L530 R531 D535 Y536 L537I505-V533 HydrophobicContact CB-CG2 4.09Å; I505-V533 HydrophobicContact CG2-CG2 3.85Å; V509-V533 HydrophobicContact CG2-CG1 3.95Å; V509-V533 HydrophobicContact CG2-CG2 4.05Å; V523-V533 HydrophobicContact CG1-CG1 3.71Å; L530-V533 HydrophobicContact CB-CB 4.26Å; L530-V533 HydrophobicContact CB-CG2 3.98Å; L530-V533 WeakPolarHBondContact O-CB 3.48Å; L530-V533 PolarHBondContact O-N 3Å; L530-V533 VanDerWaalsContact O-N 3.11Å; R531-V533 VanDerWaalsContact C-N 3.31Å; R531-V533 PolarHBondContact O-N 3.35Å; V533-D535 PolarHBondContact O-N 2.96Å; V533-Y536 PolarHBondContact O-N 2.88Å; V533-L537 HydrophobicContact CG1-CD1 3.88Å; V533-L537 HydrophobicContact CG1-CG 4.23Å; V533-L537 VanDerWaalsContact O-CG 3.26Å; V533-L537 WeakPolarHBondContact O-CG 3.25Å; V533-L537 PolarHBondContact O-N 3.49Å
534Q91.4Very high87.5Confident80 Ų8068.1 Ų68.137%0.37434%0.344SS..Hα-helixtrans-60.9-42178.8-71.5-66.1-40.200112.6K528 L530 R531 L537 T538K528-Q534 PolarHBondContact O-NE2 3.48Å; L530-Q534 PolarHBondContact O-N 2.95Å; R531-Q534 PolarHBondContact O-N 2.94Å; Q534-L537 PolarHBondContact O-N 3.33Å; Q534-T538 VanDerWaalsContact O-CB 3.32Å; Q534-T538 WeakPolarHBondContact O-CB 3.32Å; Q534-T538 PolarHBondContact O-N 2.92Å; Q534-T538 PolarHBondContact O-OG1 3.06Å
535D89.9Confident87.2Confident71 Ų7172.3 Ų72.338%0.3837%0.372SS..Hα-helixtrans-63.9-42176.7-70-16.2000110.6R531 V533 R539R531-D535 IonicContact NE-OD2 3.56Å; R531-D535 WeakPolarHBondContact O-CB 3.29Å; R531-D535 PolarHBondContact O-N 3.43Å; V533-D535 PolarHBondContact O-N 2.96Å; D535-R539 VanDerWaalsContact O-CG 3.3Å; D535-R539 WeakPolarHBondContact O-CG 3.47Å; D535-R539 PolarHBondContact O-N 3.34Å
536Y91.9Very high87.1Confident7 Ų772.3 Ų72.33%0.02739%0.394CS..Hα-helixtrans-63.5-50.2174.9171.4-103.5000112.5D499 Q500 P501 I505 V509 V511 A532 V533 T538 R539 L540D499-Y536 WeakPolarHBondContact O-CE2 3.44Å; D499-Y536 PolarHBondContact O-OH 3.4Å; Q500-Y536 WeakPolarHBondContact O-CE2 3.23Å; P501-Y536 HydrophobicContact CB-CE1 4.16Å; P501-Y536 HydrophobicContact CB-CE2 4.33Å; P501-Y536 WeakPolarHBondContact CD-OH 3.18Å; P501-Y536 HydrophobicContact CG-CE1 4.02Å; P501-Y536 HydrophobicContact CG-CE2 4.5Å; I505-Y536 HydrophobicContact CD1-CD1 3.73Å; I505-Y536 HydrophobicContact CD1-CD2 4.28Å; I505-Y536 HydrophobicContact CD1-CG 3.53Å; V509-Y536 HydrophobicContact CG1-CD1 4.23Å; V509-Y536 HydrophobicContact CG1-CE1 3.83Å; V511-Y536 HydrophobicContact CG2-CE1 4.01Å; V511-Y536 VanDerWaalsContact CG2-OH 3.23Å; V511-Y536 WeakPolarHBondContact CG2-OH 3.38Å; A532-Y536 WeakPolarHBondContact O-CB 3.14Å; A532-Y536 PolarHBondContact O-N 3.36Å; V533-Y536 PolarHBondContact O-N 2.88Å; Y536-T538 VanDerWaalsContact C-N 3.28Å; Y536-T538 PolarHBondContact O-N 2.78Å; Y536-R539 WeakPolarHBondContact O-CB 3.19Å; Y536-R539 PolarHBondContact O-N 2.91Å; Y536-R539 VanDerWaalsContact O-N 3.15Å; Y536-L540 HydrophobicContact CE1-CD2 4.33Å; Y536-L540 WeakPolarHBondContact O-CB 3.22Å; Y536-L540 PolarHBondContact O-N 3.25Å
537L91.3Very high87.3Confident4 Ų473.6 Ų73.62%0.02138%0.379CS..Hα-helixtrans-59.4-41.1178.9-66176.3000111.4V521 V523 V533 Q534 L540 C541 F551V521-L537 HydrophobicContact CG1-CD2 3.51Å; V523-L537 HydrophobicContact CG2-CD1 4.15Å; V523-L537 HydrophobicContact CG2-CD2 4.13Å; V533-L537 HydrophobicContact CG1-CD1 3.88Å; V533-L537 HydrophobicContact CG1-CG 4.23Å; V533-L537 VanDerWaalsContact O-CG 3.26Å; V533-L537 WeakPolarHBondContact O-CG 3.25Å; V533-L537 PolarHBondContact O-N 3.49Å; Q534-L537 PolarHBondContact O-N 3.33Å; L537-L540 PolarHBondContact O-N 2.98Å; L537-C541 WeakPolarHBondContact O-CB 3.46Å; L537-C541 PolarHBondContact O-N 3.24Å; L537-F551 HydrophobicContact CB-CE2 4.27Å; L537-F551 HydrophobicContact CB-CZ 3.94Å; L537-F551 HydrophobicContact CD1-CD2 4.17Å; L537-F551 HydrophobicContact CD1-CE2 4.04Å; L537-F551 HydrophobicContact CD1-CZ 4.34Å; L537-F551 HydrophobicContact CD2-CD1 4.22Å; L537-F551 HydrophobicContact CD2-CE1 3.93Å; L537-F551 HydrophobicContact CD2-CZ 4.13Å; L537-F551 HydrophobicContact CG-CZ 4.35Å
538T89.7Confident87.2Confident81 Ų8171.4 Ų71.450%0.49737%0.372SS..Hα-helixtrans-64-42.9176.8-56.50000111.5Q534 Y536 S542Q534-T538 VanDerWaalsContact O-CB 3.32Å; Q534-T538 WeakPolarHBondContact O-CB 3.32Å; Q534-T538 PolarHBondContact O-N 2.92Å; Q534-T538 PolarHBondContact O-OG1 3.06Å; Y536-T538 VanDerWaalsContact C-N 3.28Å; Y536-T538 PolarHBondContact O-N 2.78Å; T538-S542 VanDerWaalsContact O-CB 3.3Å; T538-S542 WeakPolarHBondContact O-CB 3.03Å; T538-S542 PolarHBondContact O-N 2.82Å; T538-S542 PolarHBondContact O-OG 2.92Å
539R89Confident87.3Confident128 Ų12870 Ų7048%0.48337%0.368SS..Hα-helixtrans-62.2-45.3174.5-74.3-170.9-51-95.77.4111.6D535 Y536 S542 R543D535-R539 VanDerWaalsContact O-CG 3.3Å; D535-R539 WeakPolarHBondContact O-CG 3.47Å; D535-R539 PolarHBondContact O-N 3.34Å; Y536-R539 WeakPolarHBondContact O-CB 3.19Å; Y536-R539 PolarHBondContact O-N 2.91Å; Y536-R539 VanDerWaalsContact O-N 3.15Å; R539-S542 PolarHBondContact O-N 3.05Å; R539-R543 WeakPolarHBondContact O-CB 3.46Å; R539-R543 PolarHBondContact O-N 3.28Å
540L89.3Confident87.2Confident3 Ų368.5 Ų68.52%0.01637%0.372CS..Hα-helixtrans-62.6-48.8-179-167.675.1000111.4L495 V511 I519 V521 Y536 L537 S542 R543 Y544 V548L495-L540 HydrophobicContact CD2-CD1 3.9Å; V511-L540 HydrophobicContact CG1-CD2 4.46Å; V511-L540 HydrophobicContact CG2-CD2 4.33Å; I519-L540 HydrophobicContact CG2-CD2 4.22Å; V521-L540 HydrophobicContact CG2-CD2 3.56Å; Y536-L540 HydrophobicContact CE1-CD2 4.33Å; Y536-L540 WeakPolarHBondContact O-CB 3.22Å; Y536-L540 PolarHBondContact O-N 3.25Å; L537-L540 PolarHBondContact O-N 2.98Å; L540-S542 VanDerWaalsContact C-N 3.31Å; L540-S542 PolarHBondContact O-N 2.95Å; L540-R543 PolarHBondContact O-N 2.71Å; L540-Y544 HydrophobicContact CD1-CD2 4.04Å; L540-Y544 HydrophobicContact CD1-CE2 4.24Å; L540-Y544 PolarHBondContact O-N 3.1Å; L540-V548 HydrophobicContact CD2-CG2 4.49Å; L540-V548 HydrophobicContact CG-CG2 4.32Å
541C88.4Confident87.3Confident47 Ų4768.4 Ų68.432%0.31837%0.368SS..Hα-helixtrans-64.4-33.7176.5-72.80000113.1L537 Y544 F551L537-C541 WeakPolarHBondContact O-CB 3.46Å; L537-C541 PolarHBondContact O-N 3.24Å; C541-Y544 CarbonylContact O-C 3.48Å; C541-F551 VanDerWaalsContact SG-CZ 3.54Å
542S86.6Confident87.2Confident91 Ų9163.7 Ų63.764%0.63636%0.355SS*.Hα-helixtrans-71.9-34.6177.7-59.60000112.5T538 R539 L540T538-S542 VanDerWaalsContact O-CB 3.3Å; T538-S542 WeakPolarHBondContact O-CB 3.03Å; T538-S542 PolarHBondContact O-N 2.82Å; T538-S542 PolarHBondContact O-OG 2.92Å; R539-S542 PolarHBondContact O-N 3.05Å; L540-S542 VanDerWaalsContact C-N 3.31Å; L540-S542 PolarHBondContact O-N 2.95Å
543R84.2Confident87.1Confident143 Ų14366.6 Ų66.654%0.5436%0.362SS..Hα-helixtrans-79.8-32.3179-174.1170.4-90.5160.7-8.4112.5D499 R539 L540 P545D499-R543 WeakPolarHBondContact OD1-CD 3.05Å; D499-R543 IonicContact OD1-CZ 2.77Å; D499-R543 IonicContact OD1-NE 3.33Å; D499-R543 IonicContact OD1-NH1 2.7Å; D499-R543 PolarHBondContact OD1-NH1 2.9Å; R539-R543 WeakPolarHBondContact O-CB 3.46Å; R539-R543 PolarHBondContact O-N 3.28Å; L540-R543 PolarHBondContact O-N 2.71Å; R543-P545 WeakPolarHBondContact O-CD 2.99Å
544Y84.9Confident86.8Confident36 Ų3667.6 Ų67.614%0.14137%0.368CS..SBendtrans-122.159.3-178.9-59.6-74.6000113.5V493 L495 D499 I519 L540 C541 G546 K547V493-Y544 HydrophobicContact CG1-CD1 4.16Å; V493-Y544 HydrophobicContact CG1-CE1 3.59Å; L495-Y544 HydrophobicContact CD2-CD2 4.37Å; L495-Y544 HydrophobicContact CD2-CE2 3.73Å; D499-Y544 HydrophobicContact CB-CE2 4.39Å; D499-Y544 WeakPolarHBondContact OD2-CE2 3.37Å; D499-Y544 PolarHBondContact OD2-OH 2.81Å; I519-Y544 HydrophobicContact CD1-CD1 4.06Å; I519-Y544 HydrophobicContact CD1-CD2 3.78Å; I519-Y544 HydrophobicContact CD1-CE2 4.39Å; I519-Y544 HydrophobicContact CD1-CG 3.6Å; L540-Y544 HydrophobicContact CD1-CD2 4.04Å; L540-Y544 HydrophobicContact CD1-CE2 4.24Å; L540-Y544 PolarHBondContact O-N 3.1Å; C541-Y544 CarbonylContact O-C 3.48Å; Y544-G546 PolarHBondContact O-N 3.35Å; Y544-K547 PolarHBondContact O-N 2.86Å
545P80Confident86.1Confident101 Ų10165 Ų6566%0.65636%0.358SS*.THydrogen-bonded Turntrans-60.5127.5-177.823.9-31.9000111.2R543 K547R543-P545 WeakPolarHBondContact O-CD 2.99Å; P545-K547 VanDerWaalsContact C-N 3.31Å; P545-K547 PolarHBondContact O-N 2.83Å
546G81.1Confident85.7Confident82 Ų8266 Ų6685%0.84536%0.363SS*.THydrogen-bonded Turntrans80.1-3.8179.300000116.2Y544Y544-G546 PolarHBondContact O-N 3.35Å
547K84.2Confident84.6Confident99 Ų9969.6 Ų69.643%0.4338%0.383SS..THydrogen-bonded Turntrans-102.5-16.3176.6-66.7-170177.3-175.30114.4V493 Q518 I519 Y544 P545V493-K547 HydrophobicContact CG2-CD 4.35Å; Q518-K547 WeakPolarHBondContact CA-O 3.5Å; Q518-K547 VanDerWaalsContact CG-O 3.3Å; Q518-K547 WeakPolarHBondContact CG-O 3.17Å; I519-K547 PolarHBondContact N-O 3Å; Y544-K547 PolarHBondContact O-N 2.86Å; P545-K547 VanDerWaalsContact C-N 3.31Å; P545-K547 PolarHBondContact O-N 2.83Å
548V85.4Confident83.8Confident28 Ų2871.4 Ų71.417%0.1739%0.394CS..BIsolated β-bridgetrans-86.2125.5179.6-173.90000109.9I519 V521 L540 F551I519-V548 HydrophobicContact CB-CG2 4.32Å; I519-V548 HydrophobicContact CD1-CG2 4.33Å; I519-V548 WeakPolarHBondContact O-CA 3.39Å; V521-V548 HydrophobicContact CG2-CG1 3.8Å; L540-V548 HydrophobicContact CD2-CG2 4.49Å; L540-V548 HydrophobicContact CG-CG2 4.32Å; V548-F551 HydrophobicContact CG1-CE1 3.89Å
549S84.8Confident83.3Confident17 Ų1767.6 Ų67.612%0.11937%0.37CS..PPolyproline II helixtrans-74.8162.8176.170.50000111.6I519 H520 F551I519-S549 PolarHBondContact O-N 3.34Å; I519-S549 PolarHBondContact O-OG 2.85Å; H520-S549 WeakPolarHBondContact CA-OG 3.19Å; H520-S549 PolarHBondContact ND1-OG 2.96Å; S549-F551 PolarHBondContact O-N 3.35Å
550P85.2Confident82.6Confident121 Ų12163.9 Ų63.979%0.78637%0.367SS*.PPolyproline II helixtrans-54.2134.8174.8-24.234.2000111.1E552P550-E552 PolarHBondContact O-N 3.29Å
551F88.9Confident81.8Confident69 Ų6970.7 Ų70.730%0.30339%0.392SS..PPolyproline II helixtrans-62.5124.8-177.5-49.9-40.7000110.9V521 L537 C541 V548 S549 F553V521-F551 HydrophobicContact CB-CD1 3.93Å; V521-F551 HydrophobicContact CB-CE1 4.43Å; V521-F551 HydrophobicContact CG1-CD1 4.18Å; V521-F551 HydrophobicContact CG2-CD1 4.45Å; L537-F551 HydrophobicContact CB-CE2 4.27Å; L537-F551 HydrophobicContact CB-CZ 3.94Å; L537-F551 HydrophobicContact CD1-CD2 4.17Å; L537-F551 HydrophobicContact CD1-CE2 4.04Å; L537-F551 HydrophobicContact CD1-CZ 4.34Å; L537-F551 HydrophobicContact CD2-CD1 4.22Å; L537-F551 HydrophobicContact CD2-CE1 3.93Å; L537-F551 HydrophobicContact CD2-CZ 4.13Å; L537-F551 HydrophobicContact CG-CZ 4.35Å; C541-F551 VanDerWaalsContact SG-CZ 3.54Å; V548-F551 HydrophobicContact CG1-CE1 3.89Å; S549-F551 PolarHBondContact O-N 3.35Å; F551-F553 HydrophobicContact CB-CZ 4.23Å
552E87.6Confident81Confident99 Ų9970.4 Ų70.446%0.46339%0.388SS..EExtended strand (participates in β ladder)trans-90.9118174.6179.1-177.7-172.900108.6V521 R522 V523 P550V521-E552 PolarHBondContact O-N 3.47Å; R522-E552 CarbonylContact C-O 3.56Å; R522-E552 VanDerWaalsContact CA-O 3.25Å; R522-E552 WeakPolarHBondContact CA-O 3.43Å; R522-E552 HydrophobicContact CG-CB 4.08Å; R522-E552 HydrophobicContact CG-CG 4.39Å; R522-E552 IonicContact CZ-OE2 2.72Å; R522-E552 IonicContact NE-OE2 2.8Å; R522-E552 PolarHBondContact NE-OE2 2.04Å; R522-E552 IonicContact NH2-OE2 2.72Å; R522-E552 PolarHBondContact NH2-OE2 3.06Å; V523-E552 PolarHBondContact N-O 3.41Å; P550-E552 PolarHBondContact O-N 3.29Å
553F85.1Confident80.2Confident91 Ų9169.3 Ų69.340%0.39937%0.37SS..EExtended strand (participates in β ladder)trans-90128177.3-60.3-74.7000110.9V523 E525 K528 F551V523-F553 HydrophobicContact CB-CD1 4.01Å; V523-F553 HydrophobicContact CB-CE1 4.19Å; V523-F553 HydrophobicContact CG1-CD1 4.39Å; V523-F553 HydrophobicContact CG1-CE1 4.41Å; V523-F553 CarbonylContact O-C 3.46Å; V523-F553 VanDerWaalsContact O-CA 3.31Å; V523-F553 WeakPolarHBondContact O-CA 3.33Å; E525-F553 HydrophobicContact CB-CB 4.24Å; E525-F553 WeakPolarHBondContact OE2-CB 3.47Å; E525-F553 WeakPolarHBondContact OE2-CG 3.47Å; K528-F553 HydrophobicContact CB-CD1 3.89Å; K528-F553 HydrophobicContact CB-CE1 3.51Å; K528-F553 HydrophobicContact CB-CZ 4.44Å; K528-F553 HydrophobicContact CD-CD1 4.07Å; K528-F553 HydrophobicContact CD-CE1 3.93Å; K528-F553 HydrophobicContact CD-CZ 4.33Å; K528-F553 HydrophobicContact CG-CE1 4.36Å; F551-F553 HydrophobicContact CB-CZ 4.23Å
554T83Confident79.2Confident21 Ų2168.4 Ų68.413%0.12937%0.371CS..EExtended strand (participates in β ladder)trans-139.7-169.9-172-165.60000110.8R522 V523 V524 E525 V558 I559R522-T554 HydrophobicContact CB-CG2 4.15Å; V523-T554 PolarHBondContact O-N 3.26Å; V524-T554 CarbonylContact C-O 3.58Å; V524-T554 VanDerWaalsContact CA-O 3.27Å; V524-T554 WeakPolarHBondContact CA-O 3.26Å; E525-T554 PolarHBondContact N-O 2.78Å; T554-V558 HydrophobicContact CG2-CB 4.3Å; T554-V558 HydrophobicContact CG2-CG1 4.31Å; T554-V558 VanDerWaalsContact OG1-CB 3.29Å; T554-V558 WeakPolarHBondContact OG1-CB 3.39Å; T554-V558 WeakPolarHBondContact OG1-CG1 3.32Å; T554-I559 HydrophobicContact CG2-CD1 3.67Å; T554-I559 HydrophobicContact CG2-CG1 3.71Å
555T78.3Confident77.9Confident27 Ų2772 Ų7217%0.16639%0.389CS..  trans-106.1161.3-178.755.60000111.1D557 V558 I559 I758T555-D557 WeakPolarHBondContact CB-OD1 3.38Å; T555-D557 PolarHBondContact O-N 3.14Å; T555-D557 PolarHBondContact OG1-OD1 3.01Å; T555-V558 PolarHBondContact O-N 2.83Å; T555-V558 WeakPolarHBondContact OG1-CG2 3.37Å; T555-I559 PolarHBondContact O-N 2.85Å; T555-I758 HydrophobicContact CG2-CD1 3.7Å; T555-I758 HydrophobicContact CG2-CG1 4.04Å
556L80.6Confident76.6Confident92 Ų9271.8 Ų71.848%0.48239%0.387SS..Hα-helixtrans-58.8-37.1-175.5-170.178.8000112.3D507 Y508 V524 I559 A560D507-L556 WeakPolarHBondContact O-CD1 3.4Å; Y508-L556 HydrophobicContact CD1-CD1 3.65Å; Y508-L556 HydrophobicContact CE1-CD1 3.84Å; V524-L556 HydrophobicContact CG2-CB 4.2Å; V524-L556 HydrophobicContact CG2-CD1 3.91Å; L556-I559 PolarHBondContact O-N 2.81Å; L556-A560 WeakPolarHBondContact O-CB 3.38Å; L556-A560 PolarHBondContact O-N 2.74Å
557D69.1Low75.1Confident82 Ų8272.8 Ų72.844%0.43938%0.376SS..Hα-helixtrans-66.5-37.617958.4-52.8000113T555 A560 R561 I758T555-D557 WeakPolarHBondContact CB-OD1 3.38Å; T555-D557 PolarHBondContact O-N 3.14Å; T555-D557 PolarHBondContact OG1-OD1 3.01Å; D557-A560 PolarHBondContact O-N 2.81Å; D557-R561 WeakPolarHBondContact O-CB 3.3Å; D557-R561 PolarHBondContact O-N 3.1Å; D557-I758 WeakPolarHBondContact OD1-CD1 3.35Å
558V75.3Confident73.4Confident42 Ų4271.6 Ų71.626%0.25537%0.374SS..Hα-helixtrans-65.3-44.1175.6175.20000110.4T554 T555 R561 L562T554-V558 HydrophobicContact CG2-CB 4.3Å; T554-V558 HydrophobicContact CG2-CG1 4.31Å; T554-V558 VanDerWaalsContact OG1-CB 3.29Å; T554-V558 WeakPolarHBondContact OG1-CB 3.39Å; T554-V558 WeakPolarHBondContact OG1-CG1 3.32Å; T555-V558 PolarHBondContact O-N 2.83Å; T555-V558 WeakPolarHBondContact OG1-CG2 3.37Å; V558-R561 PolarHBondContact O-N 3.07Å; V558-L562 HydrophobicContact CG1-CD1 4.2Å; V558-L562 WeakPolarHBondContact O-CG 3.32Å; V558-L562 PolarHBondContact O-N 2.74Å
559I79Confident71.5Confident0 Ų074.4 Ų74.40%039%0.394CS..Hα-helixtrans-64.3-42.8176.9-76.5163.7000111.4Y508 V510 V524 T554 T555 L556 R561 L562 R563Y508-I559 VanDerWaalsContact O-CD1 3.28Å; Y508-I559 WeakPolarHBondContact O-CD1 3.32Å; V510-I559 HydrophobicContact CB-CG1 4.5Å; V510-I559 HydrophobicContact CB-CG2 4.38Å; V510-I559 HydrophobicContact CG2-CG2 4.41Å; V524-I559 HydrophobicContact CB-CD1 4.41Å; V524-I559 HydrophobicContact CG2-CD1 3.44Å; V524-I559 VanDerWaalsContact CG2-CD1 3.44Å; T554-I559 HydrophobicContact CG2-CD1 3.67Å; T554-I559 HydrophobicContact CG2-CG1 3.71Å; T555-I559 PolarHBondContact O-N 2.85Å; L556-I559 PolarHBondContact O-N 2.81Å; I559-R561 VanDerWaalsContact C-N 3.32Å; I559-R561 PolarHBondContact O-N 2.77Å; I559-L562 PolarHBondContact O-N 2.76Å; I559-R563 WeakPolarHBondContact O-CG 3.49Å; I559-R563 PolarHBondContact O-N 3.26Å; I559-R563 VanDerWaalsContact O-N 3.16Å
560A74.3Confident69.5Low50 Ų5075.7 Ų75.741%0.41341%0.411SS..Hα-helixtrans-60.9-39.5175.100000112.3L556 D557 R563 Q564L556-A560 WeakPolarHBondContact O-CB 3.38Å; L556-A560 PolarHBondContact O-N 2.74Å; D557-A560 PolarHBondContact O-N 2.81Å; A560-R563 PolarHBondContact O-N 3.41Å; A560-Q564 PolarHBondContact O-N 3Å; A560-Q564 VanDerWaalsContact O-N 3.09Å
561R71.2Confident67.9Low147 Ų14771.9 Ų71.956%0.55539%0.385SS*.Hα-helixtrans-64.8-46.9177.3-165.8-17987.2-168.72.1112.2D557 V558 I559 R563 Q564 E565D557-R561 WeakPolarHBondContact O-CB 3.3Å; D557-R561 PolarHBondContact O-N 3.1Å; V558-R561 PolarHBondContact O-N 3.07Å; I559-R561 VanDerWaalsContact C-N 3.32Å; I559-R561 PolarHBondContact O-N 2.77Å; R561-R563 PolarHBondContact O-N 2.94Å; R561-Q564 PolarHBondContact O-N 3.18Å; R561-Q564 VanDerWaalsContact O-N 3.09Å; R561-E565 IonicContact NE-OE1 3Å; R561-E565 PolarHBondContact O-N 2.8Å; R561-E565 VanDerWaalsContact O-N 3.14Å
562L73.3Confident66.3Low41 Ų4175.3 Ų75.322%0.21540%0.402CS..Hα-helixtrans-60-34.9178.7-70.1170.7000111.9V510 V558 I559 T566V510-L562 HydrophobicContact CG1-CD1 4.1Å; V558-L562 HydrophobicContact CG1-CD1 4.2Å; V558-L562 WeakPolarHBondContact O-CG 3.32Å; V558-L562 PolarHBondContact O-N 2.74Å; I559-L562 PolarHBondContact O-N 2.76Å; L562-T566 PolarHBondContact O-OG1 3.43Å
563R69.8Low64.7Low68 Ų6878 Ų7826%0.25742%0.419SS..Hα-helixtrans-69.9-39.1174.1-72.8171.3166.9-114.2-20.2113.1L506 V509 V510 I559 A560 R561 E565 T566 V567L506-R563 VanDerWaalsContact CB-NH2 3.29Å; L506-R563 PolarHBondContact O-NE 3.03Å; L506-R563 PolarHBondContact O-NH2 3.32Å; V509-R563 PolarHBondContact O-NH2 2.65Å; V510-R563 HydrophobicContact CG2-CG 3.87Å; I559-R563 WeakPolarHBondContact O-CG 3.49Å; I559-R563 PolarHBondContact O-N 3.26Å; I559-R563 VanDerWaalsContact O-N 3.16Å; A560-R563 PolarHBondContact O-N 3.41Å; R561-R563 PolarHBondContact O-N 2.94Å; R563-E565 VanDerWaalsContact C-N 3.29Å; R563-E565 PolarHBondContact O-N 3.36Å; R563-T566 WeakPolarHBondContact O-CB 3.31Å; R563-T566 PolarHBondContact O-N 2.93Å; R563-T566 VanDerWaalsContact O-N 3.16Å; R563-T566 PolarHBondContact O-OG1 2.82Å; R563-V567 PolarHBondContact O-N 3.01Å
564Q61.8Low63.9Low124 Ų12477 Ų7758%0.57943%0.434SS*.Hα-helixtrans-63.1-36.6177.2-78.3-176.3-6.400112.2A560 R561 T566 V567 I568A560-Q564 PolarHBondContact O-N 3Å; A560-Q564 VanDerWaalsContact O-N 3.09Å; R561-Q564 PolarHBondContact O-N 3.18Å; R561-Q564 VanDerWaalsContact O-N 3.09Å; Q564-T566 PolarHBondContact O-N 2.96Å; Q564-V567 PolarHBondContact O-N 2.84Å; Q564-V567 VanDerWaalsContact O-N 3.08Å; Q564-I568 PolarHBondContact O-N 2.61Å
565E58.1Low63.7Low110 Ų11077.6 Ų77.651%0.51444%0.437SS..Hα-helixtrans-60.6-32.1175.5-71.3171.7-169.700111.7R561 R563R561-E565 IonicContact NE-OE1 3Å; R561-E565 PolarHBondContact O-N 2.8Å; R561-E565 VanDerWaalsContact O-N 3.14Å; R563-E565 VanDerWaalsContact C-N 3.29Å; R563-E565 PolarHBondContact O-N 3.36Å
566T53.3Low64.1Low98 Ų9879.6 Ų79.660%0.60145%0.446SS*.Hα-helixtrans-68.5-34.3174.3-34.70000112.6L562 R563 Q564 I568 S569L562-T566 PolarHBondContact O-OG1 3.43Å; R563-T566 WeakPolarHBondContact O-CB 3.31Å; R563-T566 PolarHBondContact O-N 2.93Å; R563-T566 VanDerWaalsContact O-N 3.16Å; R563-T566 PolarHBondContact O-OG1 2.82Å; Q564-T566 PolarHBondContact O-N 2.96Å; T566-I568 PolarHBondContact O-N 2.94Å; T566-S569 PolarHBondContact O-OG 3.47Å
567V48.4Very low64.6Low102 Ų10280.1 Ų80.162%0.61846%0.455SS*.Hα-helixtrans-70.1-31.9-177178.90000112.9R563 Q564 S569 G570R563-V567 PolarHBondContact O-N 3.01Å; Q564-V567 PolarHBondContact O-N 2.84Å; Q564-V567 VanDerWaalsContact O-N 3.08Å; V567-S569 PolarHBondContact O-N 2.9Å; V567-G570 PolarHBondContact O-N 2.93Å
568I48.4Very low65.7Low75 Ų7577.7 Ų77.739%0.38544%0.443SS..Hα-helixtrans-58.5-34-177.8-62.6173.4000111.1Q564 T566 G570 V571 L667Q564-I568 PolarHBondContact O-N 2.61Å; T566-I568 PolarHBondContact O-N 2.94Å; I568-G570 PolarHBondContact O-N 3.23Å; I568-V571 PolarHBondContact O-N 2.85Å; I568-L667 HydrophobicContact CG2-CD2 4.46Å
569S45.6Very low66.5Low86 Ų8676.6 Ų76.660%0.60144%0.435SS*.Hα-helixtrans-62.5-24.9177.8690000114.2T566 V567T566-S569 PolarHBondContact O-OG 3.47Å; V567-S569 PolarHBondContact O-N 2.9Å
570G44.2Very low67.1Low45 Ų4583 Ų8346%0.46447%0.465SS..Hα-helixtrans-80.7-17.7179.200000114.7V567 I568 E572 N573V567-G570 PolarHBondContact O-N 2.93Å; I568-G570 PolarHBondContact O-N 3.23Å; G570-E572 VanDerWaalsContact C-N 3.32Å; G570-E572 PolarHBondContact O-N 3Å; G570-N573 PolarHBondContact O-N 2.72Å
571V51Low68Low40 Ų4084.5 Ų84.524%0.24246%0.462CS..Hα-helixtrans-70.4-29.5-173.5-178.10000112I568 N573 G574I568-V571 PolarHBondContact O-N 2.85Å; V571-N573 PolarHBondContact O-N 3.17Å; V571-N573 VanDerWaalsContact O-N 3.09Å; V571-G574 PolarHBondContact O-N 3.23Å
572E55.2Low69.2Low142 Ų14277.5 Ų77.566%0.66444%0.436SS*.G310 helixtrans-58.6-25.9-179.3-67.3-172.8163.100112.9G570 G574G570-E572 VanDerWaalsContact C-N 3.32Å; G570-E572 PolarHBondContact O-N 3Å; E572-G574 VanDerWaalsContact C-N 3.31Å; E572-G574 PolarHBondContact O-N 3.49Å
573N53.7Low70.1Confident155 Ų15576.2 Ų76.283%0.82943%0.429SS*.G310 helixtrans-77.7-7.5-176.8-69.5-31.3000114.8G570 V571G570-N573 PolarHBondContact O-N 2.72Å; V571-N573 PolarHBondContact O-N 3.17Å; V571-N573 VanDerWaalsContact O-N 3.09Å
574G68.3Low71.3Confident69 Ų6974.9 Ų74.971%0.71144%0.436SS*.G310 helixtrans-114.71.7-174.400000116.4V571 E572V571-G574 PolarHBondContact O-N 3.23Å; E572-G574 VanDerWaalsContact C-N 3.31Å; E572-G574 PolarHBondContact O-N 3.49Å
575I79.6Confident72.9Confident35 Ų3569.9 Ų69.918%0.17941%0.413CS..  trans-91126.3-173.2-54.9179.1000109.8Q579 Q580 L583 F664 L667I575-Q579 HydrophobicContact CG2-CB 3.65Å; I575-Q580 HydrophobicContact CG2-CB 4.15Å; I575-L583 HydrophobicContact CD1-CD1 3.91Å; I575-L583 HydrophobicContact CG2-CD1 4.12Å; I575-F664 HydrophobicContact CG1-CE1 4.24Å; I575-L667 HydrophobicContact CD1-CD1 3.63Å
576N86.8Confident74.7Confident68 Ų6864.7 Ų64.736%0.36439%0.388SS..  trans-77.8162.9177.683.220.1000112V578 Q579 Q580N576-V578 VanDerWaalsContact C-N 3.32Å; N576-V578 PolarHBondContact O-N 3.21Å; N576-V578 PolarHBondContact OD1-N 3.47Å; N576-V578 VanDerWaalsContact OD1-N 3.16Å; N576-Q579 PolarHBondContact O-N 3.34Å; N576-Q579 WeakPolarHBondContact OD1-CB 2.9Å; N576-Q579 WeakPolarHBondContact OD1-CG 3.37Å; N576-Q579 PolarHBondContact OD1-N 3.43Å; N576-Q580 PolarHBondContact O-N 3.09Å
577P89.3Confident76.6Confident103 Ų10361.7 Ų61.767%0.66937%0.371SS*.Hα-helixtrans-59.3-35.7-175.4-27.235.8000115Q580 K581P577-Q580 PolarHBondContact O-N 3.18Å; P577-K581 PolarHBondContact O-N 2.66Å
578V92.7Very high78.8Confident31 Ų3161 Ų6119%0.18836%0.361CS..Hα-helixtrans-69.8-43179.5-176.90000110.7N576 Q580 K581 M582 E632 L633 A636N576-V578 VanDerWaalsContact C-N 3.32Å; N576-V578 PolarHBondContact O-N 3.21Å; N576-V578 PolarHBondContact OD1-N 3.47Å; N576-V578 VanDerWaalsContact OD1-N 3.16Å; V578-Q580 VanDerWaalsContact C-N 3.33Å; V578-K581 PolarHBondContact O-N 3.05Å; V578-M582 PolarHBondContact O-N 3.23Å; V578-E632 HydrophobicContact CG1-CG 4.14Å; V578-E632 HydrophobicContact CG2-CG 4.34Å; V578-E632 WeakPolarHBondContact CG2-OE1 3.29Å; V578-L633 HydrophobicContact CG1-CD2 3.94Å; V578-A636 HydrophobicContact CB-CB 4.17Å; V578-A636 HydrophobicContact CG1-CB 3.55Å
579Q92.1Very high81.1Confident19 Ų1957.5 Ų57.59%0.08934%0.343CS..Hα-helixtrans-62.7-41174.1-70.2170.1-25.700111I575 N576 K581 M582 L583 A636 G640 M641I575-Q579 HydrophobicContact CG2-CB 3.65Å; N576-Q579 PolarHBondContact O-N 3.34Å; N576-Q579 WeakPolarHBondContact OD1-CB 2.9Å; N576-Q579 WeakPolarHBondContact OD1-CG 3.37Å; N576-Q579 PolarHBondContact OD1-N 3.43Å; Q579-K581 VanDerWaalsContact C-N 3.34Å; Q579-K581 PolarHBondContact O-N 3.06Å; Q579-M582 PolarHBondContact O-N 3.41Å; Q579-L583 WeakPolarHBondContact O-CB 3.47Å; Q579-L583 WeakPolarHBondContact O-CG 3.33Å; Q579-L583 PolarHBondContact O-N 2.91Å; Q579-A636 HydrophobicContact CG-CB 4.45Å; Q579-G640 PolarHBondContact NE2-O 3.25Å; Q579-M641 HydrophobicContact CB-CG 4.44Å; Q579-M641 HydrophobicContact CB-SD 4.09Å; Q579-M641 HydrophobicContact CG-CG 3.91Å; Q579-M641 HydrophobicContact CG-SD 4.03Å
580Q91.6Very high83.3Confident134 Ų13454.2 Ų54.263%0.62632%0.322SS*.Hα-helixtrans-63.3-40.7175.8-168.9177.121.200111.6I575 N576 P577 V578 L583 G584I575-Q580 HydrophobicContact CG2-CB 4.15Å; N576-Q580 PolarHBondContact O-N 3.09Å; P577-Q580 PolarHBondContact O-N 3.18Å; V578-Q580 VanDerWaalsContact C-N 3.33Å; Q580-L583 PolarHBondContact O-N 3.41Å; Q580-G584 PolarHBondContact O-N 3.47Å
581K94.3Very high85.5Confident82 Ų8257.5 Ų57.536%0.35733%0.333SS..Hα-helixtrans-63.2-45.4174.4-175.2168.1-177.9168.60111.8P577 V578 Q579 L583 G584 Y585 E629 L633P577-K581 PolarHBondContact O-N 2.66Å; V578-K581 PolarHBondContact O-N 3.05Å; Q579-K581 VanDerWaalsContact C-N 3.34Å; Q579-K581 PolarHBondContact O-N 3.06Å; K581-L583 PolarHBondContact O-N 3.36Å; K581-G584 WeakPolarHBondContact O-CA 3.38Å; K581-G584 PolarHBondContact O-N 2.84Å; K581-G584 VanDerWaalsContact O-N 3.1Å; K581-Y585 HydrophobicContact CD-CE2 4.41Å; K581-Y585 WeakPolarHBondContact CE-OH 3.45Å; K581-Y585 HydrophobicContact CG-CD2 4.47Å; K581-Y585 HydrophobicContact CG-CE2 3.87Å; K581-Y585 WeakPolarHBondContact O-CD2 3.24Å; K581-Y585 PolarHBondContact O-N 2.98Å; K581-E629 IonicContact NZ-OE1 3.66Å; K581-E629 PolarHBondContact NZ-OE1 3.16Å; K581-L633 HydrophobicContact CB-CD2 4.19Å; K581-L633 HydrophobicContact CD-CD2 4.37Å; K581-L633 HydrophobicContact CG-CD2 4.12Å
582M95.5Very high87.4Confident0 Ų057 Ų570%033%0.328CS..Hα-helixtrans-61.3-43.5175.9-174.662.3-164.500112.1V578 Q579 G584 Y585 I586 L597 I599 L633 T637 M641 L688V578-M582 PolarHBondContact O-N 3.23Å; Q579-M582 PolarHBondContact O-N 3.41Å; M582-G584 PolarHBondContact O-N 2.85Å; M582-Y585 PolarHBondContact O-N 3.18Å; M582-Y585 VanDerWaalsContact O-N 3.12Å; M582-I586 HydrophobicContact CE-CD1 3.98Å; M582-I586 HydrophobicContact CE-CG1 3.84Å; M582-I586 HydrophobicContact CG-CD1 4.1Å; M582-I586 WeakPolarHBondContact O-CG1 3.46Å; M582-I586 PolarHBondContact O-N 3Å; M582-L597 HydrophobicContact CE-CD2 3.8Å; M582-I599 HydrophobicContact CE-CD1 3.65Å; M582-I599 HydrophobicContact SD-CD1 3.95Å; M582-L633 HydrophobicContact CB-CD2 4.12Å; M582-L633 HydrophobicContact SD-CB 4.44Å; M582-T637 VanDerWaalsContact CG-OG1 3.31Å; M582-T637 WeakPolarHBondContact CG-OG1 3.3Å; M582-M641 HydrophobicContact CB-SD 4.24Å; M582-M641 HydrophobicContact CG-SD 4.24Å; M582-L688 HydrophobicContact CE-CD1 3.85Å; M582-L688 HydrophobicContact CE-CD2 3.48Å; M582-L688 VanDerWaalsContact CE-CD2 3.48Å; M582-L688 HydrophobicContact CE-CG 4.33Å
583L93Very high89Confident14 Ų1452.5 Ų52.57%0.07331%0.313CS..Hα-helixtrans-57.8-38.2172.4-77.6172000111.9I575 Q579 Q580 K581 Y585 I586 S587 M641 F664 L667I575-L583 HydrophobicContact CD1-CD1 3.91Å; I575-L583 HydrophobicContact CG2-CD1 4.12Å; Q579-L583 WeakPolarHBondContact O-CB 3.47Å; Q579-L583 WeakPolarHBondContact O-CG 3.33Å; Q579-L583 PolarHBondContact O-N 2.91Å; Q580-L583 PolarHBondContact O-N 3.41Å; K581-L583 PolarHBondContact O-N 3.36Å; L583-Y585 PolarHBondContact O-N 3.4Å; L583-I586 PolarHBondContact O-N 2.92Å; L583-S587 WeakPolarHBondContact O-CB 3.34Å; L583-S587 PolarHBondContact O-N 3.26Å; L583-S587 PolarHBondContact O-OG 3.42Å; L583-S587 VanDerWaalsContact O-OG 3.07Å; L583-M641 HydrophobicContact CD2-CE 3.67Å; L583-M641 HydrophobicContact CG-CE 3.75Å; L583-F664 HydrophobicContact CD1-CD1 4.17Å; L583-F664 HydrophobicContact CD2-CB 4.06Å; L583-F664 WeakPolarHBondContact CD2-O 3.35Å; L583-L667 HydrophobicContact CD1-CD1 4.27Å
584G93.8Very high90.8Very high40 Ų4045.2 Ų45.241%0.41227%0.274SS..Hα-helixtrans-56-46.317300000112.7Q580 K581 M582 H588Q580-G584 PolarHBondContact O-N 3.47Å; K581-G584 WeakPolarHBondContact O-CA 3.38Å; K581-G584 PolarHBondContact O-N 2.84Å; K581-G584 VanDerWaalsContact O-N 3.1Å; M582-G584 PolarHBondContact O-N 2.85Å; G584-H588 WeakPolarHBondContact O-CB 3.24Å; G584-H588 PolarHBondContact O-N 3.44Å
585Y96.4Very high91.9Very high20 Ų2043.2 Ų43.28%0.07825%0.249CC..Hα-helixtrans-67.8-41176.3-65.5-57.7000112.9K581 M582 L583 H588 A589 L611 D623 L633K581-Y585 HydrophobicContact CD-CE2 4.41Å; K581-Y585 WeakPolarHBondContact CE-OH 3.45Å; K581-Y585 HydrophobicContact CG-CD2 4.47Å; K581-Y585 HydrophobicContact CG-CE2 3.87Å; K581-Y585 WeakPolarHBondContact O-CD2 3.24Å; K581-Y585 PolarHBondContact O-N 2.98Å; M582-Y585 PolarHBondContact O-N 3.18Å; M582-Y585 VanDerWaalsContact O-N 3.12Å; L583-Y585 PolarHBondContact O-N 3.4Å; Y585-H588 PolarHBondContact O-N 2.99Å; Y585-A589 WeakPolarHBondContact O-CB 3.49Å; Y585-A589 PolarHBondContact O-N 3.12Å; Y585-L611 HydrophobicContact CD1-CD2 3.84Å; Y585-L611 HydrophobicContact CD2-CD2 3.47Å; Y585-L611 VanDerWaalsContact CD2-CD2 3.47Å; Y585-L611 HydrophobicContact CE1-CD2 3.97Å; Y585-L611 HydrophobicContact CE2-CD2 3.62Å; Y585-L611 HydrophobicContact CG-CD2 3.59Å; Y585-D623 HydrophobicContact CE1-CB 3.75Å; Y585-D623 WeakPolarHBondContact CE1-OD2 3.18Å; Y585-D623 PolarHBondContact OH-OD2 3.43Å; Y585-L633 HydrophobicContact CD2-CD1 4.4Å; Y585-L633 HydrophobicContact CE2-CD1 3.88Å
586I95.7Very high92.6Very high0 Ų042.2 Ų42.20%024%0.244CC..Hα-helixtrans-60.7-47.8176.1-66.2169000110.2M582 L583 H588 A589 A590 L597 M641 L660 A668 L670 L688 L690M582-I586 HydrophobicContact CE-CD1 3.98Å; M582-I586 HydrophobicContact CE-CG1 3.84Å; M582-I586 HydrophobicContact CG-CD1 4.1Å; M582-I586 WeakPolarHBondContact O-CG1 3.46Å; M582-I586 PolarHBondContact O-N 3Å; L583-I586 PolarHBondContact O-N 2.92Å; I586-H588 PolarHBondContact O-N 2.77Å; I586-A589 PolarHBondContact O-N 3.27Å; I586-A590 WeakPolarHBondContact O-CB 3.32Å; I586-A590 PolarHBondContact O-N 2.82Å; I586-L597 HydrophobicContact CG1-CD2 4.09Å; I586-M641 HydrophobicContact CD1-CE 4.19Å; I586-L660 HydrophobicContact CD1-CD2 3.84Å; I586-A668 HydrophobicContact CG2-CB 3.88Å; I586-L670 HydrophobicContact CG2-CD1 3.53Å; I586-L688 HydrophobicContact CD1-CD2 3.82Å; I586-L688 HydrophobicContact CG1-CD2 4.04Å; I586-L690 HydrophobicContact CG2-CD2 4.2Å
587S93.8Very high93.1Very high36 Ų3639 Ų3925%0.25223%0.227SC..Hα-helixtrans-64.2-38.4178.1-66.20000112.3L583 A590 T591 A668L583-S587 WeakPolarHBondContact O-CB 3.34Å; L583-S587 PolarHBondContact O-N 3.26Å; L583-S587 PolarHBondContact O-OG 3.42Å; L583-S587 VanDerWaalsContact O-OG 3.07Å; S587-A590 PolarHBondContact O-N 3.42Å; S587-T591 WeakPolarHBondContact O-CB 3.28Å; S587-T591 PolarHBondContact O-N 2.9Å; S587-T591 PolarHBondContact O-OG1 3.01Å; S587-A668 WeakPolarHBondContact OG-CB 3.28Å
588H94.4Very high93.5Very high88 Ų8834.4 Ų34.441%0.40720%0.196SC..Hα-helixtrans-63-48.4174.2-170.8-171.3000111.2G584 Y585 I586 A590 T591 L592G584-H588 WeakPolarHBondContact O-CB 3.24Å; G584-H588 PolarHBondContact O-N 3.44Å; Y585-H588 PolarHBondContact O-N 2.99Å; I586-H588 PolarHBondContact O-N 2.77Å; H588-A590 VanDerWaalsContact C-N 3.33Å; H588-A590 PolarHBondContact O-N 3.09Å; H588-T591 PolarHBondContact O-N 2.67Å; H588-L592 WeakPolarHBondContact O-CG 3.45Å; H588-L592 PolarHBondContact O-N 3.44Å; H588-L592 VanDerWaalsContact O-N 3.08Å
589A95.3Very high93.8Very high0 Ų032.9 Ų32.90%019%0.188CC..Hα-helixtrans-61.2-40.3176.100000112.1Y585 I586 L592 S593 A594 L597 A613 L622 L690Y585-A589 WeakPolarHBondContact O-CB 3.49Å; Y585-A589 PolarHBondContact O-N 3.12Å; I586-A589 PolarHBondContact O-N 3.27Å; A589-L592 CarbonylContact O-C 3.5Å; A589-L592 PolarHBondContact O-N 3.46Å; A589-S593 PolarHBondContact O-N 3.03Å; A589-A594 HydrophobicContact CB-CB 4.17Å; A589-A594 WeakPolarHBondContact O-CB 3.32Å; A589-A594 PolarHBondContact O-N 3.34Å; A589-L597 HydrophobicContact CB-CB 4.31Å; A589-L597 HydrophobicContact CB-CD1 4.38Å; A589-A613 HydrophobicContact CB-CB 4.17Å; A589-L622 HydrophobicContact CB-CD1 4.32Å; A589-L690 HydrophobicContact CB-CD1 3.64Å
590A92.4Very high94Very high18 Ų1832.7 Ų32.715%0.14919%0.187CC..Hα-helixtrans-63.4-41.917600000112.4I586 S587 H588 L592 S593 L670I586-A590 WeakPolarHBondContact O-CB 3.32Å; I586-A590 PolarHBondContact O-N 2.82Å; S587-A590 PolarHBondContact O-N 3.42Å; H588-A590 VanDerWaalsContact C-N 3.33Å; H588-A590 PolarHBondContact O-N 3.09Å; A590-L592 VanDerWaalsContact C-N 3.32Å; A590-L592 PolarHBondContact O-N 2.99Å; A590-S593 WeakPolarHBondContact O-CA 3.14Å; A590-S593 PolarHBondContact O-N 2.93Å; A590-L670 HydrophobicContact CB-CD1 4.29Å; A590-L670 HydrophobicContact CB-CD2 3.88Å; A590-L670 HydrophobicContact CB-CG 4.12Å
591T90.9Very high94.1Very high114 Ų11426.3 Ų26.370%0.69916%0.158SC*.Hα-helixtrans-62.3-39.9176.9-57.20000111.4S587 H588 S593S587-T591 WeakPolarHBondContact O-CB 3.28Å; S587-T591 PolarHBondContact O-N 2.9Å; S587-T591 PolarHBondContact O-OG1 3.01Å; H588-T591 PolarHBondContact O-N 2.67Å; T591-S593 PolarHBondContact O-N 2.95Å; T591-S593 VanDerWaalsContact O-N 3.16Å
592L90.7Very high93.9Very high29 Ų2922.4 Ų22.415%0.15214%0.141CC..THydrogen-bonded Turntrans-73.84.7172.9-63.4177.3000113.4H588 A589 A590 A594 V615 L622 W918H588-L592 WeakPolarHBondContact O-CG 3.45Å; H588-L592 PolarHBondContact O-N 3.44Å; H588-L592 VanDerWaalsContact O-N 3.08Å; A589-L592 CarbonylContact O-C 3.5Å; A589-L592 PolarHBondContact O-N 3.46Å; A590-L592 VanDerWaalsContact C-N 3.32Å; A590-L592 PolarHBondContact O-N 2.99Å; L592-A594 PolarHBondContact O-N 3.45Å; L592-V615 HydrophobicContact CB-CG2 3.96Å; L592-V615 HydrophobicContact CD1-CG2 4.43Å; L592-L622 HydrophobicContact CD1-CD2 3.62Å; L592-W918 HydrophobicContact CD1-CH2 4.05Å; L592-W918 HydrophobicContact CD1-CZ2 4.29Å; L592-W918 HydrophobicContact CD2-CE3 3.85Å; L592-W918 HydrophobicContact CD2-CH2 3.79Å; L592-W918 HydrophobicContact CD2-CZ2 4.46Å; L592-W918 HydrophobicContact CD2-CZ3 3.46Å; L592-W918 VanDerWaalsContact CD2-CZ3 3.46Å
593S89.1Confident93.5Very high48 Ų4827 Ų2734%0.33616%0.158SC..THydrogen-bonded Turntrans59.128.1-179.9-79.30000113.6A589 A590 T591 K692A589-S593 PolarHBondContact O-N 3.03Å; A590-S593 WeakPolarHBondContact O-CA 3.14Å; A590-S593 PolarHBondContact O-N 2.93Å; T591-S593 PolarHBondContact O-N 2.95Å; T591-S593 VanDerWaalsContact O-N 3.16Å; S593-K692 PolarHBondContact OG-NZ 3.45Å
594A92Very high93Very high2 Ų232.5 Ų32.52%0.01719%0.188CC..  trans-67.2146.3-179.400000111.9A589 L592 A613 R614 V615A589-A594 HydrophobicContact CB-CB 4.17Å; A589-A594 WeakPolarHBondContact O-CB 3.32Å; A589-A594 PolarHBondContact O-N 3.34Å; L592-A594 PolarHBondContact O-N 3.45Å; A594-A613 HydrophobicContact CB-CB 3.83Å; A594-R614 CarbonylContact C-O 3.51Å; A594-R614 WeakPolarHBondContact CA-O 3.48Å; A594-R614 WeakPolarHBondContact CB-O 3.29Å; A594-V615 HydrophobicContact CB-CG2 4.09Å
595S90.7Very high92.4Very high27 Ų2734.8 Ų34.819%0.18920%0.197CC..SBendtrans-84.2-30.8174.757.80000112.9R614 L690S595-R614 PolarHBondContact N-O 3.33Å; S595-L690 PolarHBondContact O-N 3.23Å
596D95Very high91.9Very high13 Ų1335.7 Ų35.77%0.0721%0.205CC..EExtended strand (participates in β ladder)trans-144.4140.8-173.9-48.9-94.5000108.9H598 A613 R614 V687 L688 R689D596-H598 WeakPolarHBondContact CB-NE2 3.48Å; D596-A613 CarbonylContact O-C 3.58Å; D596-A613 WeakPolarHBondContact O-CA 3.2Å; D596-R614 HydrophobicContact CB-CB 4.19Å; D596-R614 PolarHBondContact O-N 2.89Å; D596-V687 HydrophobicContact CB-CG1 3.95Å; D596-L688 CarbonylContact C-O 3.54Å; D596-L688 WeakPolarHBondContact CA-O 3.38Å; D596-R689 IonicContact OD1-CZ 3.15Å; D596-R689 IonicContact OD1-NE 3.16Å; D596-R689 PolarHBondContact OD1-NE 3.34Å; D596-R689 VanDerWaalsContact OD1-NE 3.08Å; D596-R689 IonicContact OD1-NH2 3.98Å
597L97.3Very high91.6Very high0 Ų041.5 Ų41.50%024%0.236CC..EExtended strand (participates in β ladder)trans-106.8117.2166.9172.664.9000107.7M582 I586 A589 I599 L622 V687 L688M582-L597 HydrophobicContact CE-CD2 3.8Å; I586-L597 HydrophobicContact CG1-CD2 4.09Å; A589-L597 HydrophobicContact CB-CB 4.31Å; A589-L597 HydrophobicContact CB-CD1 4.38Å; L597-I599 HydrophobicContact CG-CG1 4.39Å; L597-L622 HydrophobicContact CD1-CD1 4.06Å; L597-V687 CarbonylContact O-C 3.57Å; L597-V687 WeakPolarHBondContact O-CA 3.11Å; L597-L688 HydrophobicContact CB-CB 4.29Å; L597-L688 PolarHBondContact N-O 2.63Å; L597-L688 PolarHBondContact O-N 3.2Å
598H97.7Very high91.5Very high7 Ų744.6 Ų44.63%0.03225%0.245CC..EExtended strand (participates in β ladder)trans-101.6132.7-178.1-60.2-93.5000109.4D596 L611 E612 R614 L619 Y685 A686D596-H598 WeakPolarHBondContact CB-NE2 3.48Å; H598-L611 CarbonylContact O-C 3.56Å; H598-L611 WeakPolarHBondContact O-CA 3.4Å; H598-E612 WeakPolarHBondContact CA-O 3.35Å; H598-E612 HydrophobicContact CB-CB 4.23Å; H598-E612 WeakPolarHBondContact CB-O 3.34Å; H598-E612 PolarHBondContact N-O 2.84Å; H598-E612 PolarHBondContact O-N 2.81Å; H598-R614 PolarHBondContact NE2-NE 3.09Å; H598-L619 WeakPolarHBondContact CD2-CD2 3.27Å; H598-Y685 HydrophobicContact CB-CE2 4.33Å; H598-Y685 PolarHBondContact CE1-OH 3.06Å; H598-Y685 VanDerWaalsContact CE1-OH 3.27Å; H598-Y685 AromaticContact ND1-CE2 3.76Å; H598-Y685 AromaticContact ND1-CZ 3.64Å; H598-Y685 PolarHBondContact ND1-OH 2.74Å; H598-A686 WeakPolarHBondContact CA-O 3.48Å
599I97.3Very high91.6Very high0 Ų040.4 Ų40.40%023%0.226CC..EExtended strand (participates in β ladder)trans-130.4119.4178.9-56.4-179.9000107.1M582 L597 P601 T609 Y610 L611 L634 A686 L688M582-I599 HydrophobicContact CE-CD1 3.65Å; M582-I599 HydrophobicContact SD-CD1 3.95Å; L597-I599 HydrophobicContact CG-CG1 4.39Å; I599-P601 HydrophobicContact CG2-CG 4.29Å; I599-P601 WeakPolarHBondContact O-CD 3.41Å; I599-T609 HydrophobicContact CG2-CG2 3.46Å; I599-T609 VanDerWaalsContact CG2-CG2 3.46Å; I599-Y610 WeakPolarHBondContact CA-O 3.33Å; I599-L611 HydrophobicContact CD1-CD2 4.31Å; I599-L611 HydrophobicContact CG1-CD2 4.3Å; I599-L611 HydrophobicContact CG1-CG 4.28Å; I599-L634 HydrophobicContact CB-CD2 4.08Å; I599-L634 HydrophobicContact CD1-CD2 3.9Å; I599-L634 HydrophobicContact CG2-CD1 4.06Å; I599-L634 HydrophobicContact CG2-CD2 4.1Å; I599-L634 HydrophobicContact CG2-CG 4.12Å; I599-A686 HydrophobicContact CB-CB 4.46Å; I599-A686 PolarHBondContact N-O 2.65Å; I599-A686 PolarHBondContact O-N 3.1Å; I599-L688 HydrophobicContact CD1-CD1 4.36Å
600T96.3Very high91.6Very high14 Ų1443.2 Ų43.29%0.08624%0.236CC..EExtended strand (participates in β ladder)trans-126.278.1-172-33.70000111.7G602 R603 Y610 L684 Y685T600-G602 PolarHBondContact O-N 2.83Å; T600-R603 HydrophobicContact CG2-CB 3.85Å; T600-R603 HydrophobicContact CG2-CG 4.17Å; T600-Y610 PolarHBondContact N-O 2.81Å; T600-Y610 PolarHBondContact O-N 3.27Å; T600-L684 WeakPolarHBondContact CA-O 3.37Å; T600-Y685 HydrophobicContact CG2-CD2 4.03Å
601P94.9Very high91.8Very high0 Ų042.3 Ų42.30%023%0.229CC..EExtended strand (participates in β ladder)trans-66.7127177.3-18.431.7000111.3I599 T609 K627 L631 L634 G683 L684I599-P601 HydrophobicContact CG2-CG 4.29Å; I599-P601 WeakPolarHBondContact O-CD 3.41Å; P601-T609 WeakPolarHBondContact CA-OG1 3.41Å; P601-T609 HydrophobicContact CB-CG2 4.23Å; P601-T609 WeakPolarHBondContact CB-OG1 3.44Å; P601-T609 HydrophobicContact CG-CG2 3.82Å; P601-K627 HydrophobicContact CB-CG 4.3Å; P601-L631 HydrophobicContact CB-CD2 4.14Å; P601-L631 HydrophobicContact CB-CG 4.11Å; P601-L631 HydrophobicContact CG-CD2 4.22Å; P601-L631 HydrophobicContact CG-CG 4.46Å; P601-L634 HydrophobicContact CG-CD1 3.65Å; P601-G683 WeakPolarHBondContact O-CA 3.36Å; P601-L684 WeakPolarHBondContact CD-O 3.36Å; P601-L684 PolarHBondContact O-N 3Å
602G89Confident92.1Very high0 Ų038.3 Ų38.30%020%0.203CC..THydrogen-bonded Turntrans75.721.5176.900000114.9T600 D604 S605 T606 F608 G682T600-G602 PolarHBondContact O-N 2.83Å; G602-D604 PolarHBondContact O-N 3.34Å; G602-S605 WeakPolarHBondContact O-CA 3.37Å; G602-S605 PolarHBondContact O-N 3.47Å; G602-T606 WeakPolarHBondContact CA-O 3.24Å; G602-F608 PolarHBondContact N-O 3.34Å; G602-G682 CarbonylContact C-O 3.56Å; G602-G682 WeakPolarHBondContact CA-O 3.24Å; G602-G682 CarbonylContact O-C 3.58Å; G602-G682 VanDerWaalsContact O-CA 3.28Å; G602-G682 WeakPolarHBondContact O-CA 3.41Å
603R87.1Confident92.4Very high98 Ų9836.9 Ų36.937%0.3720%0.195SC..G310 helixtrans-51135.3173.6-172.2174178.1168.1-2.9110.1T600 S605 T606 Y610 E612T600-R603 HydrophobicContact CG2-CB 3.85Å; T600-R603 HydrophobicContact CG2-CG 4.17Å; R603-S605 PolarHBondContact O-N 3.06Å; R603-S605 VanDerWaalsContact O-N 3.14Å; R603-T606 WeakPolarHBondContact O-CB 3.45Å; R603-T606 VanDerWaalsContact O-CG2 3.31Å; R603-T606 WeakPolarHBondContact O-CG2 3.39Å; R603-T606 PolarHBondContact O-N 2.7Å; R603-T606 PolarHBondContact O-OG1 3.21Å; R603-Y610 HydrophobicContact CB-CD2 3.8Å; R603-Y610 HydrophobicContact CB-CE2 4.03Å; R603-Y610 HydrophobicContact CG-CD2 4.48Å; R603-E612 IonicContact NH1-OE1 2.67Å; R603-E612 PolarHBondContact NH1-OE1 2.85Å; R603-E612 IonicContact NH1-OE2 2.81Å; R603-E612 PolarHBondContact NH1-OE2 3.15Å
604D83.3Confident92.6Very high129 Ų12937.9 Ų37.969%0.6919%0.192SC*.G310 helixtrans54.329.3-177.5-55.6-41.1000114G602 T606G602-D604 PolarHBondContact O-N 3.34Å; D604-T606 HydrophobicContact CB-CG2 4.47Å; D604-T606 PolarHBondContact O-N 3.5Å
605S81.1Confident92.7Very high88 Ų8837.9 Ų37.962%0.61519%0.192SC*.G310 helixtrans59.827.1-176.2-51.10000114.4G602 R603G602-S605 WeakPolarHBondContact O-CA 3.37Å; G602-S605 PolarHBondContact O-N 3.47Å; R603-S605 PolarHBondContact O-N 3.06Å; R603-S605 VanDerWaalsContact O-N 3.14Å
606T86.7Confident92.7Very high38 Ų3838.1 Ų38.123%0.23319%0.19CC..  trans-80.4164.5174.764.50000112G602 R603 D604 F608G602-T606 WeakPolarHBondContact CA-O 3.24Å; R603-T606 WeakPolarHBondContact O-CB 3.45Å; R603-T606 VanDerWaalsContact O-CG2 3.31Å; R603-T606 WeakPolarHBondContact O-CG2 3.39Å; R603-T606 PolarHBondContact O-N 2.7Å; R603-T606 PolarHBondContact O-OG1 3.21Å; D604-T606 HydrophobicContact CB-CG2 4.47Å; D604-T606 PolarHBondContact O-N 3.5Å; T606-F608 PolarHBondContact O-N 2.81Å
607D88.5Confident92.4Very high123 Ų12339 Ų3966%0.65820%0.202SC*.SBendtrans-83.915.6172.1-71.8-34.7000113K627D607-K627 WeakPolarHBondContact O-CB 3.33Å; D607-K627 PolarHBondContact O-N 2.83Å
608F92.9Very high92.1Very high101 Ų10142.2 Ų42.244%0.44322%0.217SC..EExtended strand (participates in β ladder)trans-116.8158.3-174-58.9-69.4000112.4G602 T606 Y610 I624 V625G602-F608 PolarHBondContact N-O 3.34Å; T606-F608 PolarHBondContact O-N 2.81Å; F608-Y610 HydrophobicContact CB-CE2 4.41Å; F608-I624 HydrophobicContact CB-CG2 3.91Å; F608-I624 HydrophobicContact CD1-CG2 4.05Å; F608-I624 HydrophobicContact CG-CG2 4.11Å; F608-V625 CarbonylContact C-O 3.52Å; F608-V625 WeakPolarHBondContact CA-O 3.46Å
609T94.8Very high92Very high0 Ų045.1 Ų45.10%023%0.232CC..EExtended strand (participates in β ladder)trans-116124.8168.8-58.80000108.2I599 P601 L611 I624 V625 R626 K627 G630I599-T609 HydrophobicContact CG2-CG2 3.46Å; I599-T609 VanDerWaalsContact CG2-CG2 3.46Å; P601-T609 WeakPolarHBondContact CA-OG1 3.41Å; P601-T609 HydrophobicContact CB-CG2 4.23Å; P601-T609 WeakPolarHBondContact CB-OG1 3.44Å; P601-T609 HydrophobicContact CG-CG2 3.82Å; T609-L611 HydrophobicContact CG2-CD1 4.21Å; T609-I624 WeakPolarHBondContact O-CA 3.47Å; T609-V625 HydrophobicContact CG2-CG2 4.19Å; T609-V625 PolarHBondContact N-O 2.92Å; T609-V625 PolarHBondContact O-N 3.3Å; T609-R626 PolarHBondContact OG1-O 3.02Å; T609-R626 VanDerWaalsContact OG1-O 3.11Å; T609-K627 WeakPolarHBondContact OG1-CA 3.39Å; T609-G630 WeakPolarHBondContact OG1-CA 3.48Å
610Y95.5Very high91.8Very high58 Ų5845.4 Ų45.423%0.22723%0.234CC..EExtended strand (participates in β ladder)trans-93.1126173.8-61.2-90.9000109.3I599 T600 R603 F608 L621 I624I599-Y610 WeakPolarHBondContact CA-O 3.33Å; T600-Y610 PolarHBondContact N-O 2.81Å; T600-Y610 PolarHBondContact O-N 3.27Å; R603-Y610 HydrophobicContact CB-CD2 3.8Å; R603-Y610 HydrophobicContact CB-CE2 4.03Å; R603-Y610 HydrophobicContact CG-CD2 4.48Å; F608-Y610 HydrophobicContact CB-CE2 4.41Å; Y610-L621 HydrophobicContact CD1-CD1 3.98Å; Y610-I624 HydrophobicContact CD1-CD1 4.15Å; Y610-I624 HydrophobicContact CD1-CG1 3.95Å; Y610-I624 HydrophobicContact CE1-CD1 3.87Å; Y610-I624 HydrophobicContact CE1-CG1 4.13Å; Y610-I624 HydrophobicContact CE1-CG2 4.49Å
611L96.4Very high91.7Very high0 Ų049.1 Ų49.10%025%0.253CS..EExtended strand (participates in β ladder)trans-102.7111.9170.9-68.393.1000108.4Y585 H598 I599 T609 L622 D623 V625Y585-L611 HydrophobicContact CD1-CD2 3.84Å; Y585-L611 HydrophobicContact CD2-CD2 3.47Å; Y585-L611 VanDerWaalsContact CD2-CD2 3.47Å; Y585-L611 HydrophobicContact CE1-CD2 3.97Å; Y585-L611 HydrophobicContact CE2-CD2 3.62Å; Y585-L611 HydrophobicContact CG-CD2 3.59Å; H598-L611 CarbonylContact O-C 3.56Å; H598-L611 WeakPolarHBondContact O-CA 3.4Å; I599-L611 HydrophobicContact CD1-CD2 4.31Å; I599-L611 HydrophobicContact CG1-CD2 4.3Å; I599-L611 HydrophobicContact CG1-CG 4.28Å; T609-L611 HydrophobicContact CG2-CD1 4.21Å; L611-L622 PolarHBondContact O-N 2.87Å; L611-D623 HydrophobicContact CB-CB 4.4Å; L611-D623 HydrophobicContact CD1-CB 4.34Å; L611-D623 PolarHBondContact N-O 3.02Å; L611-D623 PolarHBondContact O-N 2.9Å; L611-V625 HydrophobicContact CD1-CB 4.48Å; L611-V625 HydrophobicContact CD1-CG1 4.15Å; L611-V625 HydrophobicContact CD1-CG2 3.67Å
612E97.5Very high91.7Very high29 Ų2950.8 Ų50.814%0.13626%0.261CS..EExtended strand (participates in β ladder)trans-121.1135.1-176.6-60.1169.8109.400109.8H598 R603 L619 E620 L621H598-E612 WeakPolarHBondContact CA-O 3.35Å; H598-E612 HydrophobicContact CB-CB 4.23Å; H598-E612 WeakPolarHBondContact CB-O 3.34Å; H598-E612 PolarHBondContact N-O 2.84Å; H598-E612 PolarHBondContact O-N 2.81Å; R603-E612 IonicContact NH1-OE1 2.67Å; R603-E612 PolarHBondContact NH1-OE1 2.85Å; R603-E612 IonicContact NH1-OE2 2.81Å; R603-E612 PolarHBondContact NH1-OE2 3.15Å; E612-L619 HydrophobicContact CB-CD2 4.27Å; E612-E620 CarbonylContact C-O 3.09Å; E612-E620 WeakPolarHBondContact CA-O 3.19Å; E612-L621 HydrophobicContact CG-CD1 4.16Å
613A96.5Very high92Very high0 Ų053.6 Ų53.60%028%0.276CS..EExtended strand (participates in β ladder)trans-105.1140.2171.900000110.8A589 A594 D596 V615 E620 L622A589-A613 HydrophobicContact CB-CB 4.17Å; A594-A613 HydrophobicContact CB-CB 3.83Å; D596-A613 CarbonylContact O-C 3.58Å; D596-A613 WeakPolarHBondContact O-CA 3.2Å; A613-V615 HydrophobicContact CB-CG2 4.24Å; A613-V615 PolarHBondContact O-N 2.8Å; A613-E620 PolarHBondContact N-O 2.65Å; A613-E620 PolarHBondContact O-N 3.02Å; A613-L622 HydrophobicContact CB-CD1 3.68Å; A613-L622 HydrophobicContact CB-CD2 4.05Å; A613-L622 HydrophobicContact CB-CG 3.86Å
614R94.9Very high92.4Very high68 Ų6852.7 Ų52.726%0.25728%0.278SS..EExtended strand (participates in β ladder)trans-86.794.6173.8-172.4171.9-61.1-79.9-4.1110.9A594 S595 D596 H598 G617 E618 L619A594-R614 CarbonylContact C-O 3.51Å; A594-R614 WeakPolarHBondContact CA-O 3.48Å; A594-R614 WeakPolarHBondContact CB-O 3.29Å; S595-R614 PolarHBondContact N-O 3.33Å; D596-R614 HydrophobicContact CB-CB 4.19Å; D596-R614 PolarHBondContact O-N 2.89Å; H598-R614 PolarHBondContact NE2-NE 3.09Å; R614-G617 PolarHBondContact NH1-O 2.91Å; R614-E618 CarbonylContact C-O 3.59Å; R614-E618 VanDerWaalsContact CA-O 3.24Å; R614-E618 WeakPolarHBondContact CA-O 3.32Å; R614-L619 HydrophobicContact CB-CD2 4.3Å
615V93.4Very high92.9Very high3 Ų347.1 Ų47.12%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-100.6123.7-178.9-175.90000109.5L592 A594 A613 G617 E618 E620 W918L592-V615 HydrophobicContact CB-CG2 3.96Å; L592-V615 HydrophobicContact CD1-CG2 4.43Å; A594-V615 HydrophobicContact CB-CG2 4.09Å; A613-V615 HydrophobicContact CB-CG2 4.24Å; A613-V615 PolarHBondContact O-N 2.8Å; V615-G617 PolarHBondContact O-N 2.93Å; V615-E618 PolarHBondContact N-O 2.9Å; V615-E618 PolarHBondContact O-N 3.19Å; V615-E620 HydrophobicContact CB-CG 4.19Å; V615-E620 HydrophobicContact CG2-CB 4.41Å; V615-E620 HydrophobicContact CG2-CG 4.3Å; V615-W918 HydrophobicContact CG1-CG 3.95Å
616H91.1Very high93.4Very high32 Ų3250 Ų5015%0.14825%0.246CC..THydrogen-bonded Turntrans49.828.7-178.5-53.4-51000115.6Q872 V921 R924H616-Q872 PolarHBondContact O-NE2 2.86Å; H616-V921 HydrophobicContact CB-CG1 3.71Å; H616-R924 HydrophobicContact CB-CG 4.36Å
617G88.4Confident93.7Very high32 Ų3251.4 Ų51.433%0.3325%0.249SC..THydrogen-bonded Turntrans98.8-16.2179.400000114.7R614 V615R614-G617 PolarHBondContact NH1-O 2.91Å; V615-G617 PolarHBondContact O-N 2.93Å
618E91.2Very high93.8Very high66 Ų6649.9 Ų49.931%0.30824%0.241SC..EExtended strand (participates in β ladder)trans-101.4148.7-178.6-74169-164.200111.6R614 V615 Q872 R909R614-E618 CarbonylContact C-O 3.59Å; R614-E618 VanDerWaalsContact CA-O 3.24Å; R614-E618 WeakPolarHBondContact CA-O 3.32Å; V615-E618 PolarHBondContact N-O 2.9Å; V615-E618 PolarHBondContact O-N 3.19Å; E618-Q872 PolarHBondContact OE1-NE2 2.61Å; E618-R909 IonicContact OE1-CZ 2.69Å; E618-R909 IonicContact OE1-NH1 2.88Å; E618-R909 PolarHBondContact OE1-NH1 3.27Å; E618-R909 IonicContact OE1-NH2 2.62Å; E618-R909 IonicContact OE2-CZ 3.34Å; E618-R909 IonicContact OE2-NH1 3.21Å; E618-R909 PolarHBondContact OE2-NH1 3.27Å; E618-R909 IonicContact OE2-NH2 3.2Å; E618-R909 PolarHBondContact OE2-NH2 3.09Å
619L94.5Very high93.9Very high69 Ų6947.8 Ų47.836%0.36123%0.232SC..EExtended strand (participates in β ladder)trans-83.9131.4176-74.9172.3000110.3H598 E612 R614H598-L619 WeakPolarHBondContact CD2-CD2 3.27Å; E612-L619 HydrophobicContact CB-CD2 4.27Å; R614-L619 HydrophobicContact CB-CD2 4.3Å
620E93.8Very high93.8Very high6 Ų647.8 Ų47.83%0.02823%0.232CC..EExtended strand (participates in β ladder)trans-127122.4-177.9-68.7-65.5162.400110E612 A613 V615 L622 W918 R919E612-E620 CarbonylContact C-O 3.09Å; E612-E620 WeakPolarHBondContact CA-O 3.19Å; A613-E620 PolarHBondContact N-O 2.65Å; A613-E620 PolarHBondContact O-N 3.02Å; V615-E620 HydrophobicContact CB-CG 4.19Å; V615-E620 HydrophobicContact CG2-CB 4.41Å; V615-E620 HydrophobicContact CG2-CG 4.3Å; E620-L622 PolarHBondContact O-N 3.31Å; E620-W918 HydrophobicContact CB-CZ2 4.48Å; E620-W918 HydrophobicContact CG-CZ2 4.35Å; E620-R919 VanDerWaalsContact CD-CZ 3.42Å; E620-R919 VanDerWaalsContact OE1-CD 3.22Å; E620-R919 WeakPolarHBondContact OE1-CD 3.37Å; E620-R919 IonicContact OE1-CZ 2.81Å; E620-R919 VanDerWaalsContact OE1-CZ 3.23Å; E620-R919 IonicContact OE1-NE 2.94Å; E620-R919 PolarHBondContact OE1-NE 3.49Å; E620-R919 IonicContact OE1-NH1 3.99Å; E620-R919 PolarHBondContact OE1-NH1 2.98Å; E620-R919 IonicContact OE2-CZ 3.39Å; E620-R919 IonicContact OE2-NE 3.33Å; E620-R919 PolarHBondContact OE2-NE 2.79Å; E620-R919 IonicContact OE2-NH1 3.41Å; E620-R919 PolarHBondContact OE2-NH1 3.29Å; E620-R919 IonicContact OE2-NH2 3.76Å; E620-R919 PolarHBondContact OE2-NH2 2.86Å
621L95Very high93.8Very high92 Ų9247.4 Ų47.448%0.48223%0.234SC..EExtended strand (participates in β ladder)trans-68122.6176.6-177.369.9000109.9Y610 E612 D623 I624Y610-L621 HydrophobicContact CD1-CD1 3.98Å; E612-L621 HydrophobicContact CG-CD1 4.16Å; L621-D623 WeakPolarHBondContact CD1-O 3.35Å; L621-I624 HydrophobicContact CD1-CG1 3.99Å; L621-I624 HydrophobicContact CD2-CD1 3.88Å; L621-I624 HydrophobicContact CD2-CG1 3.96Å; L621-I624 HydrophobicContact CG-CG1 4.41Å
622L93.8Very high93.7Very high34 Ų3453 Ų5318%0.17826%0.26CS..EExtended strand (participates in β ladder)trans-95.4-44.2175.1-61.7-171.4000112A589 L592 L597 L611 A613 E620A589-L622 HydrophobicContact CB-CD1 4.32Å; L592-L622 HydrophobicContact CD1-CD2 3.62Å; L597-L622 HydrophobicContact CD1-CD1 4.06Å; L611-L622 PolarHBondContact O-N 2.87Å; A613-L622 HydrophobicContact CB-CD1 3.68Å; A613-L622 HydrophobicContact CB-CD2 4.05Å; A613-L622 HydrophobicContact CB-CG 3.86Å; E620-L622 PolarHBondContact O-N 3.31Å
623D95.3Very high93.6Very high60 Ų6051.7 Ų51.732%0.32125%0.254SS..EExtended strand (participates in β ladder)trans-158.7159.4-175.4-159.13.2000111.7Y585 L611 L621Y585-D623 HydrophobicContact CE1-CB 3.75Å; Y585-D623 WeakPolarHBondContact CE1-OD2 3.18Å; Y585-D623 PolarHBondContact OH-OD2 3.43Å; L611-D623 HydrophobicContact CB-CB 4.4Å; L611-D623 HydrophobicContact CD1-CB 4.34Å; L611-D623 PolarHBondContact N-O 3.02Å; L611-D623 PolarHBondContact O-N 2.9Å; L621-D623 WeakPolarHBondContact CD1-O 3.35Å
624I95.2Very high93.5Very high79 Ų7951.7 Ų51.741%0.40525%0.254SS..EExtended strand (participates in β ladder)trans-127.4115.7172-56.6175.8000107.9F608 T609 Y610 L621F608-I624 HydrophobicContact CB-CG2 3.91Å; F608-I624 HydrophobicContact CD1-CG2 4.05Å; F608-I624 HydrophobicContact CG-CG2 4.11Å; T609-I624 WeakPolarHBondContact O-CA 3.47Å; Y610-I624 HydrophobicContact CD1-CD1 4.15Å; Y610-I624 HydrophobicContact CD1-CG1 3.95Å; Y610-I624 HydrophobicContact CE1-CD1 3.87Å; Y610-I624 HydrophobicContact CE1-CG1 4.13Å; Y610-I624 HydrophobicContact CE1-CG2 4.49Å; L621-I624 HydrophobicContact CD1-CG1 3.99Å; L621-I624 HydrophobicContact CD2-CD1 3.88Å; L621-I624 HydrophobicContact CD2-CG1 3.96Å; L621-I624 HydrophobicContact CG-CG1 4.41Å
625V93.8Very high93.4Very high11 Ų1149.2 Ų49.27%0.06725%0.249CC..EExtended strand (participates in β ladder)trans-117.1175.5177.7-57.80000110.6F608 T609 L611 E629F608-V625 CarbonylContact C-O 3.52Å; F608-V625 WeakPolarHBondContact CA-O 3.46Å; T609-V625 HydrophobicContact CG2-CG2 4.19Å; T609-V625 PolarHBondContact N-O 2.92Å; T609-V625 PolarHBondContact O-N 3.3Å; L611-V625 HydrophobicContact CD1-CB 4.48Å; L611-V625 HydrophobicContact CD1-CG1 4.15Å; L611-V625 HydrophobicContact CD1-CG2 3.67Å; V625-E629 HydrophobicContact CB-CG 4.31Å; V625-E629 HydrophobicContact CG2-CB 4.5Å; V625-E629 HydrophobicContact CG2-CG 4.35Å
626R93.1Very high93.4Very high150 Ų15050 Ų5057%0.56626%0.256SS*.EExtended strand (participates in β ladder)trans-72.9158176.2-62.817456.992.41.7111.4T609 D628 E629 G630T609-R626 PolarHBondContact OG1-O 3.02Å; T609-R626 VanDerWaalsContact OG1-O 3.11Å; R626-D628 WeakPolarHBondContact CB-OD1 3.47Å; R626-D628 IonicContact NE-OD1 3.18Å; R626-D628 PolarHBondContact NE-OD1 2.94Å; R626-D628 IonicContact NE-OD2 3.84Å; R626-D628 IonicContact NH2-OD2 3.49Å; R626-E629 HydrophobicContact CB-CB 4.36Å; R626-E629 PolarHBondContact O-N 3.2Å; R626-G630 PolarHBondContact O-N 2.79Å
627K91.4Very high93.5Very high67 Ų6748.4 Ų48.429%0.29125%0.249SC..Hα-helixtrans-61.9-44.1-178.8178.4173.8175.3170.50113P601 D607 T609 G630 L631 G682P601-K627 HydrophobicContact CB-CG 4.3Å; D607-K627 WeakPolarHBondContact O-CB 3.33Å; D607-K627 PolarHBondContact O-N 2.83Å; T609-K627 WeakPolarHBondContact OG1-CA 3.39Å; K627-G630 PolarHBondContact O-N 3.13Å; K627-L631 HydrophobicContact CG-CD1 4.37Å; K627-L631 WeakPolarHBondContact O-CG 3.47Å; K627-L631 PolarHBondContact O-N 2.85Å; K627-G682 PolarHBondContact NZ-O 2.82Å
628D91.8Very high93.7Very high91 Ų9147 Ų4749%0.48723%0.233SC..Hα-helixtrans-58.7-47.5175.549.8-14.7000111.4R626 G630 L631 E632R626-D628 WeakPolarHBondContact CB-OD1 3.47Å; R626-D628 IonicContact NE-OD1 3.18Å; R626-D628 PolarHBondContact NE-OD1 2.94Å; R626-D628 IonicContact NE-OD2 3.84Å; R626-D628 IonicContact NH2-OD2 3.49Å; D628-G630 PolarHBondContact O-N 3.34Å; D628-L631 PolarHBondContact O-N 2.86Å; D628-E632 PolarHBondContact O-N 2.85Å
629E93.9Very high93.6Very high56 Ų5647.4 Ų47.426%0.26224%0.244SC..Hα-helixtrans-63.2-40.9177-178171.7-164.700112.7K581 V625 R626 L631 E632 L633K581-E629 IonicContact NZ-OE1 3.66Å; K581-E629 PolarHBondContact NZ-OE1 3.16Å; V625-E629 HydrophobicContact CB-CG 4.31Å; V625-E629 HydrophobicContact CG2-CB 4.5Å; V625-E629 HydrophobicContact CG2-CG 4.35Å; R626-E629 HydrophobicContact CB-CB 4.36Å; R626-E629 PolarHBondContact O-N 3.2Å; E629-L631 PolarHBondContact O-N 3.31Å; E629-E632 WeakPolarHBondContact O-CB 3.36Å; E629-E632 PolarHBondContact O-N 2.79Å; E629-L633 WeakPolarHBondContact O-CG 3.25Å; E629-L633 PolarHBondContact O-N 2.86Å
630G93.9Very high93.2Very high0 Ų045.3 Ų45.30%024%0.238CC..Hα-helixtrans-63.5-39.6175.600000113.4T609 R626 K627 D628 L633 L634T609-G630 WeakPolarHBondContact OG1-CA 3.48Å; R626-G630 PolarHBondContact O-N 2.79Å; K627-G630 PolarHBondContact O-N 3.13Å; D628-G630 PolarHBondContact O-N 3.34Å; G630-L633 PolarHBondContact O-N 2.78Å; G630-L634 VanDerWaalsContact O-CG 3.32Å; G630-L634 WeakPolarHBondContact O-CG 3.41Å; G630-L634 PolarHBondContact O-N 3.31Å; G630-L634 VanDerWaalsContact O-N 3.13Å
631L94.3Very high93Very high50 Ų5045 Ų4526%0.26224%0.237SC..Hα-helixtrans-67.2-37.2174.1-71.1171.4000111.8P601 K627 D628 E629 L634 G635 P652 L684P601-L631 HydrophobicContact CB-CD2 4.14Å; P601-L631 HydrophobicContact CB-CG 4.11Å; P601-L631 HydrophobicContact CG-CD2 4.22Å; P601-L631 HydrophobicContact CG-CG 4.46Å; K627-L631 HydrophobicContact CG-CD1 4.37Å; K627-L631 WeakPolarHBondContact O-CG 3.47Å; K627-L631 PolarHBondContact O-N 2.85Å; D628-L631 PolarHBondContact O-N 2.86Å; E629-L631 PolarHBondContact O-N 3.31Å; L631-L634 PolarHBondContact O-N 2.9Å; L631-G635 PolarHBondContact O-N 3.05Å; L631-P652 HydrophobicContact CD2-CB 4.36Å; L631-L684 HydrophobicContact CD2-CB 4.49Å; L631-L684 HydrophobicContact CD2-CD2 4.21Å
632E94.2Very high92.7Very high118 Ų11841.8 Ų41.855%0.55122%0.221SC*.Hα-helixtrans-62.9-44.6174.8-169.2-178179.700111.7V578 D628 E629 L634 G635 A636V578-E632 HydrophobicContact CG1-CG 4.14Å; V578-E632 HydrophobicContact CG2-CG 4.34Å; V578-E632 WeakPolarHBondContact CG2-OE1 3.29Å; D628-E632 PolarHBondContact O-N 2.85Å; E629-E632 WeakPolarHBondContact O-CB 3.36Å; E629-E632 PolarHBondContact O-N 2.79Å; E632-L634 VanDerWaalsContact C-N 3.35Å; E632-L634 PolarHBondContact O-N 2.8Å; E632-G635 PolarHBondContact O-N 2.81Å; E632-A636 WeakPolarHBondContact O-CB 3.26Å; E632-A636 PolarHBondContact O-N 3.02Å
633L95.9Very high92Very high2 Ų244.1 Ų44.11%0.0123%0.234CC..Hα-helixtrans-58.6-45.1174.8-71.2168.8000111.7V578 K581 M582 Y585 E629 G630 T637V578-L633 HydrophobicContact CG1-CD2 3.94Å; K581-L633 HydrophobicContact CB-CD2 4.19Å; K581-L633 HydrophobicContact CD-CD2 4.37Å; K581-L633 HydrophobicContact CG-CD2 4.12Å; M582-L633 HydrophobicContact CB-CD2 4.12Å; M582-L633 HydrophobicContact SD-CB 4.44Å; Y585-L633 HydrophobicContact CD2-CD1 4.4Å; Y585-L633 HydrophobicContact CE2-CD1 3.88Å; E629-L633 WeakPolarHBondContact O-CG 3.25Å; E629-L633 PolarHBondContact O-N 2.86Å; G630-L633 PolarHBondContact O-N 2.78Å; L633-T637 WeakPolarHBondContact O-CB 3.27Å; L633-T637 PolarHBondContact O-N 3.31Å; L633-T637 PolarHBondContact O-OG1 3.14Å
634L95.7Very high90.6Very high0 Ų045.5 Ų45.50%024%0.244CC..Hα-helixtrans-67.7-41.8179.3-67.8174.7000112.2I599 P601 G630 L631 E632 T637 Y638 F650 Y675 L684 A686I599-L634 HydrophobicContact CB-CD2 4.08Å; I599-L634 HydrophobicContact CD1-CD2 3.9Å; I599-L634 HydrophobicContact CG2-CD1 4.06Å; I599-L634 HydrophobicContact CG2-CD2 4.1Å; I599-L634 HydrophobicContact CG2-CG 4.12Å; P601-L634 HydrophobicContact CG-CD1 3.65Å; G630-L634 VanDerWaalsContact O-CG 3.32Å; G630-L634 WeakPolarHBondContact O-CG 3.41Å; G630-L634 PolarHBondContact O-N 3.31Å; G630-L634 VanDerWaalsContact O-N 3.13Å; L631-L634 PolarHBondContact O-N 2.9Å; E632-L634 VanDerWaalsContact C-N 3.35Å; E632-L634 PolarHBondContact O-N 2.8Å; L634-T637 WeakPolarHBondContact O-CB 3.44Å; L634-T637 PolarHBondContact O-N 3.36Å; L634-Y638 WeakPolarHBondContact O-CB 3.41Å; L634-Y638 PolarHBondContact O-N 2.96Å; L634-F650 HydrophobicContact CB-CE2 3.9Å; L634-F650 HydrophobicContact CB-CZ 3.81Å; L634-Y675 HydrophobicContact CD2-CE2 3.82Å; L634-L684 HydrophobicContact CD1-CD2 3.57Å; L634-L684 HydrophobicContact CD1-CG 4.47Å; L634-A686 HydrophobicContact CD1-CB 3.73Å; L634-A686 HydrophobicContact CD2-CB 3.42Å; L634-A686 VanDerWaalsContact CD2-CB 3.42Å; L634-A686 HydrophobicContact CG-CB 4.25Å
635G92.8Very high89.2Confident15 Ų1545 Ų4516%0.15524%0.241CC..Hα-helixtrans-61.4-46.3174.500000112.5L631 E632 T637 Y638 S639L631-G635 PolarHBondContact O-N 3.05Å; E632-G635 PolarHBondContact O-N 2.81Å; G635-T637 VanDerWaalsContact C-N 3.3Å; G635-T637 PolarHBondContact O-N 3.14Å; G635-Y638 PolarHBondContact O-N 2.97Å; G635-S639 WeakPolarHBondContact O-CB 3.44Å; G635-S639 PolarHBondContact O-N 2.84Å
636A92.2Very high87.6Confident19 Ų1951.6 Ų51.616%0.15727%0.269CS..Hα-helixtrans-63.1-36.4175.900000112.4V578 Q579 E632 G640 M641V578-A636 HydrophobicContact CB-CB 4.17Å; V578-A636 HydrophobicContact CG1-CB 3.55Å; Q579-A636 HydrophobicContact CG-CB 4.45Å; E632-A636 WeakPolarHBondContact O-CB 3.26Å; E632-A636 PolarHBondContact O-N 3.02Å; A636-G640 VanDerWaalsContact O-CA 3.32Å; A636-G640 WeakPolarHBondContact O-CA 3.25Å; A636-G640 PolarHBondContact O-N 2.57Å; A636-M641 PolarHBondContact O-N 3.28Å
637T93.7Very high86Confident0 Ų046.4 Ų46.40%026%0.263CS..Hα-helixtrans-64-56.6174.9-54.90000110.6M582 L633 L634 G635 M641 T642 L660 Y675 L688M582-T637 VanDerWaalsContact CG-OG1 3.31Å; M582-T637 WeakPolarHBondContact CG-OG1 3.3Å; L633-T637 WeakPolarHBondContact O-CB 3.27Å; L633-T637 PolarHBondContact O-N 3.31Å; L633-T637 PolarHBondContact O-OG1 3.14Å; L634-T637 WeakPolarHBondContact O-CB 3.44Å; L634-T637 PolarHBondContact O-N 3.36Å; G635-T637 VanDerWaalsContact C-N 3.3Å; G635-T637 PolarHBondContact O-N 3.14Å; T637-M641 WeakPolarHBondContact O-CA 3.42Å; T637-M641 WeakPolarHBondContact O-CB 3.35Å; T637-M641 PolarHBondContact O-N 2.69Å; T637-T642 WeakPolarHBondContact O-CG2 3.26Å; T637-L660 HydrophobicContact CG2-CD1 4.09Å; T637-L660 HydrophobicContact CG2-CD2 4.24Å; T637-L660 HydrophobicContact CG2-CG 4.34Å; T637-Y675 HydrophobicContact CG2-CD2 4Å; T637-Y675 HydrophobicContact CG2-CE2 4.38Å; T637-L688 HydrophobicContact CG2-CD2 4.29Å
638Y92.4Very high84.6Confident1 Ų147.3 Ų47.30%0.00427%0.274CS..Hα-helixtrans-66.9-43-173.4-174.7-89.5000112.5L634 G635 T642 I645 K646 F650 Q656 A658 Y675L634-Y638 WeakPolarHBondContact O-CB 3.41Å; L634-Y638 PolarHBondContact O-N 2.96Å; G635-Y638 PolarHBondContact O-N 2.97Å; Y638-T642 VanDerWaalsContact O-CG2 3.29Å; Y638-T642 WeakPolarHBondContact O-CG2 3.36Å; Y638-T642 PolarHBondContact O-OG1 3.47Å; Y638-I645 HydrophobicContact CE1-CB 4.47Å; Y638-I645 HydrophobicContact CE1-CG2 4.22Å; Y638-I645 HydrophobicContact CE2-CG2 4.47Å; Y638-K646 PolarHBondContact OH-O 3.47Å; Y638-F650 HydrophobicContact CD1-CB 3.79Å; Y638-F650 HydrophobicContact CD1-CD2 4.4Å; Y638-F650 HydrophobicContact CG-CB 4.26Å; Y638-F650 HydrophobicContact CG-CD2 4.09Å; Y638-Q656 HydrophobicContact CD2-CB 4.49Å; Y638-Q656 HydrophobicContact CE2-CB 3.64Å; Y638-A658 HydrophobicContact CD2-CB 3.88Å; Y638-A658 HydrophobicContact CE2-CB 3.76Å; Y638-Y675 AromaticContact CD2-CD1 3.75Å; Y638-Y675 HydrophobicContact CD2-CD1 3.75Å; Y638-Y675 AromaticContact CD2-CE1 3.53Å; Y638-Y675 HydrophobicContact CD2-CE1 3.53Å; Y638-Y675 HydrophobicContact CE2-CD1 4.38Å; Y638-Y675 HydrophobicContact CE2-CE1 4.29Å; Y638-Y675 HydrophobicContact CG-CE1 4.41Å
639S88.5Confident84.1Confident76 Ų7648.9 Ų48.953%0.53128%0.279SS..Hα-helixtrans-88.8-23.9-175.8-650000114.3G635G635-S639 WeakPolarHBondContact O-CB 3.44Å; G635-S639 PolarHBondContact O-N 2.84Å
640G86.4Confident83.9Confident24 Ų2448.2 Ų48.225%0.24728%0.275CS..Hα-helixtrans-116.9-19.5-172.400000115.7Q579 A636Q579-G640 PolarHBondContact NE2-O 3.25Å; A636-G640 VanDerWaalsContact O-CA 3.32Å; A636-G640 WeakPolarHBondContact O-CA 3.25Å; A636-G640 PolarHBondContact O-N 2.57Å
641M90.7Very high83.7Confident0 Ų051.7 Ų51.70%029%0.293CS..SBendtrans-113.17.8-173.4-58.6175.962.800114.5Q579 M582 L583 I586 A636 T637 L660 A661 F664Q579-M641 HydrophobicContact CB-CG 4.44Å; Q579-M641 HydrophobicContact CB-SD 4.09Å; Q579-M641 HydrophobicContact CG-CG 3.91Å; Q579-M641 HydrophobicContact CG-SD 4.03Å; M582-M641 HydrophobicContact CB-SD 4.24Å; M582-M641 HydrophobicContact CG-SD 4.24Å; L583-M641 HydrophobicContact CD2-CE 3.67Å; L583-M641 HydrophobicContact CG-CE 3.75Å; I586-M641 HydrophobicContact CD1-CE 4.19Å; A636-M641 PolarHBondContact O-N 3.28Å; T637-M641 WeakPolarHBondContact O-CA 3.42Å; T637-M641 WeakPolarHBondContact O-CB 3.35Å; T637-M641 PolarHBondContact O-N 2.69Å; M641-L660 CarbonylContact O-C 3.54Å; M641-L660 WeakPolarHBondContact O-CA 3.41Å; M641-A661 PolarHBondContact O-N 2.93Å; M641-F664 VanDerWaalsContact CA-CE2 3.5Å; M641-F664 HydrophobicContact CB-CD2 3.91Å; M641-F664 HydrophobicContact CB-CE2 4.04Å; M641-F664 HydrophobicContact CB-CG 4.38Å; M641-F664 HydrophobicContact CE-CB 4.11Å; M641-F664 HydrophobicContact CE-CD1 4.22Å; M641-F664 HydrophobicContact CE-CG 4.12Å; M641-F664 HydrophobicContact CG-CD1 4.47Å; M641-F664 HydrophobicContact CG-CD2 4.26Å; M641-F664 HydrophobicContact CG-CE1 4.35Å; M641-F664 HydrophobicContact CG-CE2 4.18Å; M641-F664 HydrophobicContact CG-CG 4.42Å; M641-F664 HydrophobicContact CG-CZ 4.21Å
642T87.8Confident83.5Confident25 Ų2551.8 Ų51.815%0.15330%0.297CS..EExtended strand (participates in β ladder)trans-106152.5-173.855.10000112.9T637 Y638 I645 A658 R659T637-T642 WeakPolarHBondContact O-CG2 3.26Å; Y638-T642 VanDerWaalsContact O-CG2 3.29Å; Y638-T642 WeakPolarHBondContact O-CG2 3.36Å; Y638-T642 PolarHBondContact O-OG1 3.47Å; T642-I645 HydrophobicContact CG2-CG2 4.24Å; T642-I645 WeakPolarHBondContact OG1-CG2 3.17Å; T642-A658 HydrophobicContact CG2-CB 3.51Å; T642-R659 CarbonylContact C-O 3.5Å; T642-R659 WeakPolarHBondContact CA-O 3.5Å; T642-R659 WeakPolarHBondContact CB-O 3.47Å; T642-R659 WeakPolarHBondContact CG2-O 3.48Å
643D78.6Confident83.3Confident83 Ų8348.5 Ų48.544%0.44430%0.295SS..EExtended strand (participates in β ladder)trans-108.9-28.5172.757.7-3.5000112.6R659 A661D643-R659 PolarHBondContact N-O 3.48Å; D643-R659 VanDerWaalsContact OD1-CB 3.27Å; D643-R659 WeakPolarHBondContact OD1-CB 3.43Å; D643-R659 WeakPolarHBondContact OD1-CG 3.43Å; D643-R659 IonicContact OD2-NE 3.28Å; D643-A661 HydrophobicContact CB-CB 3.89Å
644V65.7Low83Confident88 Ų8851.3 Ų51.353%0.53331%0.312SS..EExtended strand (participates in β ladder)trans-129.8117175.6-176.30000108.6A658 R659V644-A658 CarbonylContact O-C 3.51Å; V644-A658 VanDerWaalsContact O-CA 3.24Å; V644-A658 WeakPolarHBondContact O-CA 3.48Å; V644-A658 WeakPolarHBondContact O-CB 3.35Å; V644-R659 HydrophobicContact CB-CB 4.32Å; V644-R659 PolarHBondContact O-N 2.94Å
645I66.6Low82.9Confident68 Ų6855 Ų5535%0.34934%0.336SS..EExtended strand (participates in β ladder)trans-114.9137.1174.753.7176.6000110.2Y638 T642 G647 A658Y638-I645 HydrophobicContact CE1-CB 4.47Å; Y638-I645 HydrophobicContact CE1-CG2 4.22Å; Y638-I645 HydrophobicContact CE2-CG2 4.47Å; T642-I645 HydrophobicContact CG2-CG2 4.24Å; T642-I645 WeakPolarHBondContact OG1-CG2 3.17Å; I645-G647 WeakPolarHBondContact CD1-O 3.42Å; I645-G647 VanDerWaalsContact CG1-O 3.32Å; I645-G647 WeakPolarHBondContact CG1-O 3.43Å; I645-A658 HydrophobicContact CG2-CB 4.04Å
646K59.4Low82.8Confident150 Ų15054.9 Ų54.965%0.65233%0.331SS*.SBendtrans-91.891161.8-72.2-173.6-178.5173.60108.1Y638 D657Y638-K646 PolarHBondContact OH-O 3.47Å; K646-D657 HydrophobicContact CD-CB 4.46Å; K646-D657 PolarHBondContact N-O 2.83Å
647G60.6Low82.6Confident42 Ų4257.3 Ų57.343%0.43334%0.342SS..SBendtrans133.5-179.7-175.700000111.8I645I645-G647 WeakPolarHBondContact CD1-O 3.42Å; I645-G647 VanDerWaalsContact CG1-O 3.32Å; I645-G647 WeakPolarHBondContact CG1-O 3.43Å
648T62.2Low82.4Confident85 Ų8557.9 Ų57.952%0.52135%0.346SS..SBendtrans-104.4-34179.254.20000113Q339Q339-T648 PolarHBondContact NE2-OG1 3.16Å
649Q81.6Confident82.1Confident125 Ų12561.2 Ų61.258%0.58436%0.359SS*.SBendtrans-143.8159.8-175.5-62-178.513.700111.5D651 Q656Q649-D651 PolarHBondContact O-N 2.82Å; Q649-Q656 PolarHBondContact O-NE2 2.83Å
650F89.4Confident82.2Confident42 Ų4257.6 Ų57.618%0.18433%0.333CS..  trans-64.7119173.3174.5-107000110.1L634 Y638 P652 H677 L684L634-F650 HydrophobicContact CB-CE2 3.9Å; L634-F650 HydrophobicContact CB-CZ 3.81Å; Y638-F650 HydrophobicContact CD1-CB 3.79Å; Y638-F650 HydrophobicContact CD1-CD2 4.4Å; Y638-F650 HydrophobicContact CG-CB 4.26Å; Y638-F650 HydrophobicContact CG-CD2 4.09Å; F650-P652 HydrophobicContact CE1-CB 4.18Å; F650-P652 HydrophobicContact CE1-CG 4.26Å; F650-P652 HydrophobicContact CZ-CB 4.08Å; F650-H677 AromaticContact CD2-CE1 3.93Å; F650-H677 AromaticContact CE2-CE1 3.72Å; F650-H677 AromaticContact CE2-ND1 3.85Å; F650-L684 HydrophobicContact CE2-CD2 4.22Å; F650-L684 HydrophobicContact CZ-CD2 3.89Å
651D89.6Confident82.2Confident72 Ų7256.9 Ų56.939%0.38533%0.326SS..  trans-126.5108.1174.1-178.1-3.2000109.4Q649 G653 V654 Q656 H677Q649-D651 PolarHBondContact O-N 2.82Å; D651-G653 PolarHBondContact O-N 3.33Å; D651-G653 WeakPolarHBondContact OD1-CA 3.05Å; D651-G653 PolarHBondContact OD1-N 3.22Å; D651-V654 HydrophobicContact CB-CG2 3.88Å; D651-Q656 PolarHBondContact O-OE1 2.93Å; D651-H677 PolarHBondContact O-CE1 3.3Å; D651-H677 PolarHBondContact O-NE2 3.32Å
652P90Very high81.9Confident53 Ų5361.3 Ų61.334%0.34435%0.346SS..THydrogen-bonded Turntrans-69.1-12.2179.230.2-35.3000113.2L631 F650 L684L631-P652 HydrophobicContact CD2-CB 4.36Å; F650-P652 HydrophobicContact CE1-CB 4.18Å; F650-P652 HydrophobicContact CE1-CG 4.26Å; F650-P652 HydrophobicContact CZ-CB 4.08Å; P652-L684 HydrophobicContact CB-CD1 4.42Å; P652-L684 HydrophobicContact CB-CD2 4.12Å; P652-L684 WeakPolarHBondContact O-CD1 3.42Å
653G89.6Confident81.7Confident49 Ų4967 Ų6751%0.50537%0.365SS..THydrogen-bonded Turntrans-84.8-12.7-177.900000115D651D651-G653 PolarHBondContact O-N 3.33Å; D651-G653 WeakPolarHBondContact OD1-CA 3.05Å; D651-G653 PolarHBondContact OD1-N 3.22Å
654V90.8Very high82.1Confident61 Ų6163.5 Ų63.537%0.3735%0.346SS..SBendtrans-129153.4-179.3-59.10000111.2D651 Q656 H677D651-V654 HydrophobicContact CB-CG2 3.88Å; V654-Q656 HydrophobicContact CG2-CG 3.89Å; V654-Q656 PolarHBondContact O-N 2.93Å; V654-H677 PolarHBondContact O-CD2 2.91Å; V654-H677 VanDerWaalsContact O-CD2 3.24Å; V654-H677 PolarHBondContact O-NE2 2.91Å
655P92.2Very high83.1Confident76 Ų7659.3 Ų59.349%0.49432%0.32SS..  trans-63.6130.6172.5-19.833000111H677 Y678P655-H677 WeakPolarHBondContact CA-O 3.47Å; P655-Y678 HydrophobicContact CB-CD2 3.77Å; P655-Y678 HydrophobicContact CB-CE2 4.06Å; P655-Y678 HydrophobicContact CG-CD2 3.56Å; P655-Y678 HydrophobicContact CG-CE2 3.41Å; P655-Y678 VanDerWaalsContact CG-CE2 3.41Å; P655-Y678 HydrophobicContact CG-CG 4.43Å
656Q91Very high84Confident14 Ų1460.6 Ų60.67%0.06532%0.323CS..EExtended strand (participates in β ladder)trans-137140.5176.3-56.3-173.8-51.600111.5Y638 Q649 D651 V654 S676 H677Y638-Q656 HydrophobicContact CD2-CB 4.49Å; Y638-Q656 HydrophobicContact CE2-CB 3.64Å; Q649-Q656 PolarHBondContact O-NE2 2.83Å; D651-Q656 PolarHBondContact O-OE1 2.93Å; V654-Q656 HydrophobicContact CG2-CG 3.89Å; V654-Q656 PolarHBondContact O-N 2.93Å; Q656-S676 CarbonylContact O-C 3.45Å; Q656-S676 WeakPolarHBondContact O-CA 3.35Å; Q656-H677 PolarHBondContact N-O 2.87Å; Q656-H677 PolarHBondContact O-N 3.39Å; Q656-H677 PolarHBondContact OE1-CE1 2.87Å
657D89Confident85.2Confident70 Ų7056.4 Ų56.437%0.37431%0.308SS..EExtended strand (participates in β ladder)trans-117145.4174-57.8-61000110.2K646 Y675 S676K646-D657 HydrophobicContact CD-CB 4.46Å; K646-D657 PolarHBondContact N-O 2.83Å; D657-Y675 WeakPolarHBondContact CA-O 3.46Å; D657-S676 WeakPolarHBondContact OD1-CB 3.5Å; D657-S676 PolarHBondContact OD1-OG 3.21Å
658A88.4Confident86.4Confident12 Ų1255.1 Ų55.110%0.09929%0.293CS..EExtended strand (participates in β ladder)trans-150.6163.9172.700000112Y638 T642 V644 I645 Y675Y638-A658 HydrophobicContact CD2-CB 3.88Å; Y638-A658 HydrophobicContact CE2-CB 3.76Å; T642-A658 HydrophobicContact CG2-CB 3.51Å; V644-A658 CarbonylContact O-C 3.51Å; V644-A658 VanDerWaalsContact O-CA 3.24Å; V644-A658 WeakPolarHBondContact O-CA 3.48Å; V644-A658 WeakPolarHBondContact O-CB 3.35Å; I645-A658 HydrophobicContact CG2-CB 4.04Å; A658-Y675 HydrophobicContact CB-CD1 4.24Å; A658-Y675 PolarHBondContact N-O 3.25Å; A658-Y675 PolarHBondContact O-N 2.95Å; A658-Y675 VanDerWaalsContact O-O 3.12Å
659R87Confident87.4Confident70 Ų7053.5 Ų53.526%0.26429%0.294SS..EExtended strand (participates in β ladder)trans-109.1134.7167.6-179.8-177.2177.6171.7-0.5108.9T642 D643 V644T642-R659 CarbonylContact C-O 3.5Å; T642-R659 WeakPolarHBondContact CA-O 3.5Å; T642-R659 WeakPolarHBondContact CB-O 3.47Å; T642-R659 WeakPolarHBondContact CG2-O 3.48Å; D643-R659 PolarHBondContact N-O 3.48Å; D643-R659 VanDerWaalsContact OD1-CB 3.27Å; D643-R659 WeakPolarHBondContact OD1-CB 3.43Å; D643-R659 WeakPolarHBondContact OD1-CG 3.43Å; D643-R659 IonicContact OD2-NE 3.28Å; V644-R659 HydrophobicContact CB-CB 4.32Å; V644-R659 PolarHBondContact O-N 2.94Å
660L90.4Very high87.7Confident0 Ų047.7 Ų47.70%027%0.267CS..EExtended strand (participates in β ladder)trans-75.9138174.2-86.968.5000109.9I586 T637 M641 L665 A673 L688I586-L660 HydrophobicContact CD1-CD2 3.84Å; T637-L660 HydrophobicContact CG2-CD1 4.09Å; T637-L660 HydrophobicContact CG2-CD2 4.24Å; T637-L660 HydrophobicContact CG2-CG 4.34Å; M641-L660 CarbonylContact O-C 3.54Å; M641-L660 WeakPolarHBondContact O-CA 3.41Å; L660-L665 HydrophobicContact CB-CD1 3.85Å; L660-L665 HydrophobicContact CB-CD2 4.01Å; L660-L665 HydrophobicContact CB-CG 4.03Å; L660-L665 HydrophobicContact CD2-CD2 3.97Å; L660-L665 WeakPolarHBondContact O-CD1 3.2Å; L660-A673 HydrophobicContact CB-CB 4.23Å; L660-A673 HydrophobicContact CD2-CB 4.27Å; L660-A673 PolarHBondContact N-O 3.05Å; L660-L688 HydrophobicContact CD1-CD2 4.33Å; L660-L688 HydrophobicContact CD2-CD2 3.8Å
661A86.7Confident87.5Confident10 Ų1047.8 Ų47.88%0.08327%0.267CS..  trans-67.5135.8-178.500000111.4M641 D643 R663 F664M641-A661 PolarHBondContact O-N 2.93Å; D643-A661 HydrophobicContact CB-CB 3.89Å; A661-R663 HydrophobicContact CB-CG 4.27Å; A661-R663 PolarHBondContact O-N 3Å; A661-F664 HydrophobicContact CB-CD2 4.04Å; A661-F664 HydrophobicContact CB-CE2 4.45Å; A661-F664 PolarHBondContact O-N 3.5Å
662E84.2Confident87.3Confident93 Ų9344.4 Ų44.444%0.43525%0.249SC..Hα-helixtrans-53.2-34.1-175.2-170.5-178.3160.200113.4F664 L665 K666E662-F664 PolarHBondContact O-N 3Å; E662-L665 PolarHBondContact O-N 3.33Å; E662-L665 VanDerWaalsContact O-N 3.16Å; E662-K666 HydrophobicContact CG-CD 4.25Å; E662-K666 HydrophobicContact CG-CG 4.26Å; E662-K666 PolarHBondContact O-N 3.21Å; E662-K666 WeakPolarHBondContact OE1-CE 3.44Å; E662-K666 IonicContact OE1-NZ 2.85Å; E662-K666 PolarHBondContact OE1-NZ 3.42Å
663R83.4Confident87.4Confident145 Ų14542 Ų4255%0.54723%0.233SC..Hα-helixtrans-57.5-33.2178.568.8-178.9178.6-160-3.8113.9A661A661-R663 HydrophobicContact CB-CG 4.27Å; A661-R663 PolarHBondContact O-N 3Å
664F87Confident87.4Confident8 Ų843.3 Ų43.34%0.03522%0.223CC..Hα-helixtrans-82.1-37.9178.4-69.1-67.2000111.1I575 L583 M641 A661 E662 L667I575-F664 HydrophobicContact CG1-CE1 4.24Å; L583-F664 HydrophobicContact CD1-CD1 4.17Å; L583-F664 HydrophobicContact CD2-CB 4.06Å; L583-F664 WeakPolarHBondContact CD2-O 3.35Å; M641-F664 VanDerWaalsContact CA-CE2 3.5Å; M641-F664 HydrophobicContact CB-CD2 3.91Å; M641-F664 HydrophobicContact CB-CE2 4.04Å; M641-F664 HydrophobicContact CB-CG 4.38Å; M641-F664 HydrophobicContact CE-CB 4.11Å; M641-F664 HydrophobicContact CE-CD1 4.22Å; M641-F664 HydrophobicContact CE-CG 4.12Å; M641-F664 HydrophobicContact CG-CD1 4.47Å; M641-F664 HydrophobicContact CG-CD2 4.26Å; M641-F664 HydrophobicContact CG-CE1 4.35Å; M641-F664 HydrophobicContact CG-CE2 4.18Å; M641-F664 HydrophobicContact CG-CG 4.42Å; M641-F664 HydrophobicContact CG-CZ 4.21Å; A661-F664 HydrophobicContact CB-CD2 4.04Å; A661-F664 HydrophobicContact CB-CE2 4.45Å; A661-F664 PolarHBondContact O-N 3.5Å; E662-F664 PolarHBondContact O-N 3Å; F664-L667 WeakPolarHBondContact O-CB 3.44Å; F664-L667 PolarHBondContact O-N 2.88Å
665L86.4Confident87.5Confident1 Ų140.5 Ų40.51%0.00521%0.206CC..Hα-helixtrans-74.9-32.3-174.1-63.6174.2000113.1L660 E662 L667 A668 G669 L670 G672 A673L660-L665 HydrophobicContact CB-CD1 3.85Å; L660-L665 HydrophobicContact CB-CD2 4.01Å; L660-L665 HydrophobicContact CB-CG 4.03Å; L660-L665 HydrophobicContact CD2-CD2 3.97Å; L660-L665 WeakPolarHBondContact O-CD1 3.2Å; E662-L665 PolarHBondContact O-N 3.33Å; E662-L665 VanDerWaalsContact O-N 3.16Å; L665-L667 PolarHBondContact O-N 3.04Å; L665-A668 CarbonylContact O-C 3.59Å; L665-A668 WeakPolarHBondContact O-CA 3.35Å; L665-A668 PolarHBondContact O-N 2.86Å; L665-G669 PolarHBondContact O-N 2.95Å; L665-G669 VanDerWaalsContact O-N 3.14Å; L665-L670 CarbonylContact C-O 3.58Å; L665-L670 HydrophobicContact CB-CB 4.12Å; L665-L670 HydrophobicContact CD2-CB 4.44Å; L665-L670 HydrophobicContact CD2-CD1 4.22Å; L665-L670 PolarHBondContact O-N 3.41Å; L665-G672 VanDerWaalsContact CD1-C 3.43Å; L665-A673 HydrophobicContact CD1-CB 4.03Å; L665-A673 HydrophobicContact CD2-CB 3.6Å; L665-A673 HydrophobicContact CG-CB 4.48Å
666K84.5Confident87.6Confident95 Ų9539.2 Ų39.241%0.41320%0.199SC..G310 helixtrans-58-35.4171.9-79.8-177.7173163.90112.7E662 A668 G669E662-K666 HydrophobicContact CG-CD 4.25Å; E662-K666 HydrophobicContact CG-CG 4.26Å; E662-K666 PolarHBondContact O-N 3.21Å; E662-K666 WeakPolarHBondContact OE1-CE 3.44Å; E662-K666 IonicContact OE1-NZ 2.85Å; E662-K666 PolarHBondContact OE1-NZ 3.42Å; K666-A668 PolarHBondContact O-N 3.27Å; K666-G669 PolarHBondContact O-N 2.89Å; K666-G669 VanDerWaalsContact O-N 3.14Å
667L84.4Confident87.7Confident61 Ų6138.7 Ų38.732%0.31920%0.196SC..G310 helixtrans-65.5-24.8175.5-57.7173.2000112.4I568 I575 L583 F664 L665I568-L667 HydrophobicContact CG2-CD2 4.46Å; I575-L667 HydrophobicContact CD1-CD1 3.63Å; L583-L667 HydrophobicContact CD1-CD1 4.27Å; F664-L667 WeakPolarHBondContact O-CB 3.44Å; F664-L667 PolarHBondContact O-N 2.88Å; L665-L667 PolarHBondContact O-N 3.04Å
668A85.9Confident88Confident15 Ų1542.1 Ų42.112%0.12421%0.205CC..G310 helixtrans-97.83.6176.300000113.6I586 S587 L665 K666 L670I586-A668 HydrophobicContact CG2-CB 3.88Å; S587-A668 WeakPolarHBondContact OG-CB 3.28Å; L665-A668 CarbonylContact O-C 3.59Å; L665-A668 WeakPolarHBondContact O-CA 3.35Å; L665-A668 PolarHBondContact O-N 2.86Å; K666-A668 PolarHBondContact O-N 3.27Å; A668-L670 VanDerWaalsContact C-N 3.33Å; A668-L670 HydrophobicContact CB-CD1 4.18Å; A668-L670 HydrophobicContact CB-CG 4.25Å; A668-L670 PolarHBondContact O-N 2.99Å
669G85Confident88.2Confident52 Ų5243.4 Ų43.454%0.53621%0.212SC..THydrogen-bonded Turntrans68.627.5-176.300000114.3L665 K666L665-G669 PolarHBondContact O-N 2.95Å; L665-G669 VanDerWaalsContact O-N 3.14Å; K666-G669 PolarHBondContact O-N 2.89Å; K666-G669 VanDerWaalsContact O-N 3.14Å
670L87.2Confident88.3Confident3 Ų343 Ų432%0.01622%0.219CC..EExtended strand (participates in β ladder)trans-109.5143.3-178.5-64175.4000111.3I586 A590 L665 A668 L690I586-L670 HydrophobicContact CG2-CD1 3.53Å; A590-L670 HydrophobicContact CB-CD1 4.29Å; A590-L670 HydrophobicContact CB-CD2 3.88Å; A590-L670 HydrophobicContact CB-CG 4.12Å; L665-L670 CarbonylContact C-O 3.58Å; L665-L670 HydrophobicContact CB-CB 4.12Å; L665-L670 HydrophobicContact CD2-CB 4.44Å; L665-L670 HydrophobicContact CD2-CD1 4.22Å; L665-L670 PolarHBondContact O-N 3.41Å; A668-L670 VanDerWaalsContact C-N 3.33Å; A668-L670 HydrophobicContact CB-CD1 4.18Å; A668-L670 HydrophobicContact CB-CG 4.25Å; A668-L670 PolarHBondContact O-N 2.99Å; L670-L690 HydrophobicContact CD1-CB 4.15Å; L670-L690 HydrophobicContact CD1-CD1 4.46Å; L670-L690 HydrophobicContact CD1-CD2 3.89Å; L670-L690 HydrophobicContact CD1-CG 4.38Å; L670-L690 HydrophobicContact CD2-CB 4.18Å
671F84.4Confident88Confident44 Ų4449.5 Ų49.519%0.19326%0.259CS..EExtended strand (participates in β ladder)trans-76-36.7174-180-96.1000111.5I691 D693 G774 R775F671-I691 HydrophobicContact CB-CG2 4.27Å; F671-I691 HydrophobicContact CD1-CG2 4.15Å; F671-I691 PolarHBondContact N-O 2.62Å; F671-D693 HydrophobicContact CB-CB 3.98Å; F671-G774 VanDerWaalsContact CE1-N 3.32Å; F671-R775 HydrophobicContact CE2-CB 4.28Å
672G86.9Confident87.4Confident1 Ų150 Ų501%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-162.5158.5-17300000111.2L665 I691L665-G672 VanDerWaalsContact CD1-C 3.43Å; G672-I691 PolarHBondContact N-O 3.21Å; G672-I691 WeakPolarHBondContact O-CA 3.15Å; G672-I691 VanDerWaalsContact O-CB 3.28Å; G672-I691 WeakPolarHBondContact O-CB 3.36Å; G672-I691 PolarHBondContact O-N 3.34Å
673A90.6Very high87.5Confident1 Ų146.9 Ų46.91%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-145.6135.8164.800000110L660 L665 R689 L690L660-A673 HydrophobicContact CB-CB 4.23Å; L660-A673 HydrophobicContact CD2-CB 4.27Å; L660-A673 PolarHBondContact N-O 3.05Å; L665-A673 HydrophobicContact CD1-CB 4.03Å; L665-A673 HydrophobicContact CD2-CB 3.6Å; L665-A673 HydrophobicContact CG-CB 4.48Å; A673-R689 CarbonylContact C-O 3.56Å; A673-R689 WeakPolarHBondContact CA-O 3.39Å; A673-L690 HydrophobicContact CB-CD2 4.2Å
674R89.5Confident87.9Confident77 Ų7740.1 Ų40.129%0.29123%0.232SC..EExtended strand (participates in β ladder)trans-102.7122.9175.4-57.3-176.9-172.9-150.21.2108.7L688 R689 S770 P771 E773R674-L688 CarbonylContact O-C 3.47Å; R674-L688 VanDerWaalsContact O-CA 3.3Å; R674-L688 WeakPolarHBondContact O-CA 3.28Å; R674-R689 HydrophobicContact CB-CB 4.37Å; R674-R689 PolarHBondContact N-O 2.89Å; R674-R689 PolarHBondContact O-N 2.94Å; R674-S770 VanDerWaalsContact CZ-O 3.31Å; R674-S770 PolarHBondContact NH1-O 2.83Å; R674-S770 VanDerWaalsContact NH2-C 3.27Å; R674-S770 PolarHBondContact NH2-O 3.08Å; R674-P771 VanDerWaalsContact NH2-N 3.16Å; R674-P771 PolarHBondContact NH2-O 3.24Å; R674-E773 IonicContact CZ-OE1 3.55Å; R674-E773 IonicContact NE-OE1 3.85Å; R674-E773 PolarHBondContact NE-OE1 3.23Å; R674-E773 IonicContact NH2-OE1 3.72Å; R674-E773 PolarHBondContact NH2-OE1 3.35Å
675Y93.5Very high88.4Confident3 Ų343.7 Ų43.71%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-95.1136.1173.3175-82.4000109.5L634 T637 Y638 D657 A658 H677 A686 V687 L688L634-Y675 HydrophobicContact CD2-CE2 3.82Å; T637-Y675 HydrophobicContact CG2-CD2 4Å; T637-Y675 HydrophobicContact CG2-CE2 4.38Å; Y638-Y675 AromaticContact CD2-CD1 3.75Å; Y638-Y675 HydrophobicContact CD2-CD1 3.75Å; Y638-Y675 AromaticContact CD2-CE1 3.53Å; Y638-Y675 HydrophobicContact CD2-CE1 3.53Å; Y638-Y675 HydrophobicContact CE2-CD1 4.38Å; Y638-Y675 HydrophobicContact CE2-CE1 4.29Å; Y638-Y675 HydrophobicContact CG-CE1 4.41Å; D657-Y675 WeakPolarHBondContact CA-O 3.46Å; A658-Y675 HydrophobicContact CB-CD1 4.24Å; A658-Y675 PolarHBondContact N-O 3.25Å; A658-Y675 PolarHBondContact O-N 2.95Å; A658-Y675 VanDerWaalsContact O-O 3.12Å; Y675-H677 HydrophobicContact CE1-CB 4.19Å; Y675-H677 AromaticContact CE1-ND1 3.28Å; Y675-H677 VanDerWaalsContact CE1-ND1 3.28Å; Y675-H677 WeakPolarHBondContact CE1-ND1 3.38Å; Y675-H677 AromaticContact CZ-ND1 3.44Å; Y675-H677 PolarHBondContact OH-ND1 2.81Å; Y675-A686 HydrophobicContact CE2-CB 4.33Å; Y675-V687 WeakPolarHBondContact CA-O 3.41Å; Y675-L688 HydrophobicContact CD2-CD1 3.81Å; Y675-L688 HydrophobicContact CD2-CG 4.11Å; Y675-L688 HydrophobicContact CE2-CD1 4.28Å
676S93.5Very high88.8Confident49 Ų4943.6 Ų43.634%0.34325%0.246SC..EExtended strand (participates in β ladder)trans-147.2138.9168.8-172.10000109.3Q656 D657 A686 V687Q656-S676 CarbonylContact O-C 3.45Å; Q656-S676 WeakPolarHBondContact O-CA 3.35Å; D657-S676 WeakPolarHBondContact OD1-CB 3.5Å; D657-S676 PolarHBondContact OD1-OG 3.21Å; S676-A686 CarbonylContact O-C 3.51Å; S676-A686 WeakPolarHBondContact O-CA 3.36Å; S676-V687 PolarHBondContact N-O 2.91Å; S676-V687 PolarHBondContact O-N 3.23Å
677H94.6Very high89.4Confident2 Ų240.2 Ų40.21%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-131.8158169.474.9-116.8000112.9F650 D651 V654 P655 Q656 Y675 L684 Y685 A686F650-H677 AromaticContact CD2-CE1 3.93Å; F650-H677 AromaticContact CE2-CE1 3.72Å; F650-H677 AromaticContact CE2-ND1 3.85Å; D651-H677 PolarHBondContact O-CE1 3.3Å; D651-H677 PolarHBondContact O-NE2 3.32Å; V654-H677 PolarHBondContact O-CD2 2.91Å; V654-H677 VanDerWaalsContact O-CD2 3.24Å; V654-H677 PolarHBondContact O-NE2 2.91Å; P655-H677 WeakPolarHBondContact CA-O 3.47Å; Q656-H677 PolarHBondContact N-O 2.87Å; Q656-H677 PolarHBondContact O-N 3.39Å; Q656-H677 PolarHBondContact OE1-CE1 2.87Å; Y675-H677 HydrophobicContact CE1-CB 4.19Å; Y675-H677 AromaticContact CE1-ND1 3.28Å; Y675-H677 VanDerWaalsContact CE1-ND1 3.28Å; Y675-H677 WeakPolarHBondContact CE1-ND1 3.38Å; Y675-H677 AromaticContact CZ-ND1 3.44Å; Y675-H677 PolarHBondContact OH-ND1 2.81Å; H677-L684 HydrophobicContact CB-CD1 3.93Å; H677-L684 HydrophobicContact CB-CD2 4.3Å; H677-L684 HydrophobicContact CB-CG 4.16Å; H677-L684 WeakPolarHBondContact CD2-CD1 3.45Å; H677-Y685 CarbonylContact C-O 3.55Å; H677-Y685 WeakPolarHBondContact CA-O 3.19Å; H677-A686 HydrophobicContact CB-CB 3.77Å
678Y94.5Very high90Very high142 Ų14237.3 Ų37.356%0.55722%0.218SC*.EExtended strand (participates in β ladder)trans-139.3134.1176.5-160.1-85.5000110.8P655 C680 L684 Y685P655-Y678 HydrophobicContact CB-CD2 3.77Å; P655-Y678 HydrophobicContact CB-CE2 4.06Å; P655-Y678 HydrophobicContact CG-CD2 3.56Å; P655-Y678 HydrophobicContact CG-CE2 3.41Å; P655-Y678 VanDerWaalsContact CG-CE2 3.41Å; P655-Y678 HydrophobicContact CG-CG 4.43Å; Y678-C680 PolarHBondContact O-N 3.22Å; Y678-C680 PolarHBondContact O-SG 2.9Å; Y678-L684 WeakPolarHBondContact O-CD1 3.17Å; Y678-Y685 PolarHBondContact N-O 3.42Å; Y678-Y685 PolarHBondContact O-N 3.14Å
679P92.4Very high90.3Very high39 Ų3941.7 Ų41.725%0.25323%0.231SC..EExtended strand (participates in β ladder)trans-65.4132176.127.1-35.1000111
680C89.2Confident90.6Very high61 Ų6139.8 Ų39.841%0.41221%0.208SC..EExtended strand (participates in β ladder)trans-130.2164.1-173.8-730000111.9Y678 G682 G683Y678-C680 PolarHBondContact O-N 3.22Å; Y678-C680 PolarHBondContact O-SG 2.9Å; C680-G682 PolarHBondContact O-N 3.44Å; C680-G682 VanDerWaalsContact O-N 3.14Å; C680-G683 PolarHBondContact N-O 2.83Å; C680-G683 PolarHBondContact O-N 3.5Å; C680-G683 VanDerWaalsContact O-N 3.09Å
681V83.5Confident90.6Very high138 Ų13840.2 Ų40.284%0.83621%0.211SC*.THydrogen-bonded Turntrans-59.9120.4171.5-1770000108.7
682G74.3Confident90.5Very high20 Ų2042.5 Ų42.521%0.20622%0.22CC..THydrogen-bonded Turntrans95.7-18.4-178.800000115.2G602 K627 C680G602-G682 CarbonylContact C-O 3.56Å; G602-G682 WeakPolarHBondContact CA-O 3.24Å; G602-G682 CarbonylContact O-C 3.58Å; G602-G682 VanDerWaalsContact O-CA 3.28Å; G602-G682 WeakPolarHBondContact O-CA 3.41Å; K627-G682 PolarHBondContact NZ-O 2.82Å; C680-G682 PolarHBondContact O-N 3.44Å; C680-G682 VanDerWaalsContact O-N 3.14Å
683G86.4Confident90Very high27 Ų2746.3 Ų46.328%0.27824%0.241SC..EExtended strand (participates in β ladder)trans165.4-118.1177.400000114.1P601 C680P601-G683 WeakPolarHBondContact O-CA 3.36Å; C680-G683 PolarHBondContact N-O 2.83Å; C680-G683 PolarHBondContact O-N 3.5Å; C680-G683 VanDerWaalsContact O-N 3.09Å
684L93Very high89.3Confident3 Ų348 Ų482%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-134146.4-170.2-173.267.1000109.9T600 P601 L631 L634 F650 P652 H677 Y678T600-L684 WeakPolarHBondContact CA-O 3.37Å; P601-L684 WeakPolarHBondContact CD-O 3.36Å; P601-L684 PolarHBondContact O-N 3Å; L631-L684 HydrophobicContact CD2-CB 4.49Å; L631-L684 HydrophobicContact CD2-CD2 4.21Å; L634-L684 HydrophobicContact CD1-CD2 3.57Å; L634-L684 HydrophobicContact CD1-CG 4.47Å; F650-L684 HydrophobicContact CE2-CD2 4.22Å; F650-L684 HydrophobicContact CZ-CD2 3.89Å; P652-L684 HydrophobicContact CB-CD1 4.42Å; P652-L684 HydrophobicContact CB-CD2 4.12Å; P652-L684 WeakPolarHBondContact O-CD1 3.42Å; H677-L684 HydrophobicContact CB-CD1 3.93Å; H677-L684 HydrophobicContact CB-CD2 4.3Å; H677-L684 HydrophobicContact CB-CG 4.16Å; H677-L684 WeakPolarHBondContact CD2-CD1 3.45Å; Y678-L684 WeakPolarHBondContact O-CD1 3.17Å
685Y95.8Very high88.3Confident83 Ų8345 Ų4533%0.32524%0.241SC..EExtended strand (participates in β ladder)trans-119.7112168.5176.6-125.4000109.2H598 T600 H677 Y678 V687H598-Y685 HydrophobicContact CB-CE2 4.33Å; H598-Y685 PolarHBondContact CE1-OH 3.06Å; H598-Y685 VanDerWaalsContact CE1-OH 3.27Å; H598-Y685 AromaticContact ND1-CE2 3.76Å; H598-Y685 AromaticContact ND1-CZ 3.64Å; H598-Y685 PolarHBondContact ND1-OH 2.74Å; T600-Y685 HydrophobicContact CG2-CD2 4.03Å; H677-Y685 CarbonylContact C-O 3.55Å; H677-Y685 WeakPolarHBondContact CA-O 3.19Å; Y678-Y685 PolarHBondContact N-O 3.42Å; Y678-Y685 PolarHBondContact O-N 3.14Å; Y685-V687 HydrophobicContact CD1-CG2 4.39Å; Y685-V687 HydrophobicContact CE1-CG2 3.73Å; Y685-V687 HydrophobicContact CE2-CG2 3.9Å; Y685-V687 VanDerWaalsContact CZ-CG2 3.45Å
686A96.7Very high87Confident0 Ų053 Ų530%028%0.278CS..EExtended strand (participates in β ladder)trans-115.3144.1179.600000111H598 I599 L634 Y675 S676 H677H598-A686 WeakPolarHBondContact CA-O 3.48Å; I599-A686 HydrophobicContact CB-CB 4.46Å; I599-A686 PolarHBondContact N-O 2.65Å; I599-A686 PolarHBondContact O-N 3.1Å; L634-A686 HydrophobicContact CD1-CB 3.73Å; L634-A686 HydrophobicContact CD2-CB 3.42Å; L634-A686 VanDerWaalsContact CD2-CB 3.42Å; L634-A686 HydrophobicContact CG-CB 4.25Å; Y675-A686 HydrophobicContact CE2-CB 4.33Å; S676-A686 CarbonylContact O-C 3.51Å; S676-A686 WeakPolarHBondContact O-CA 3.36Å; H677-A686 HydrophobicContact CB-CB 3.77Å
687V97Very high86.5Confident24 Ų2458.1 Ų58.115%0.14530%0.296CS..EExtended strand (participates in β ladder)trans-136.1128.4-179.9-172.90000109.4D596 L597 Y675 S676 Y685D596-V687 HydrophobicContact CB-CG1 3.95Å; L597-V687 CarbonylContact O-C 3.57Å; L597-V687 WeakPolarHBondContact O-CA 3.11Å; Y675-V687 WeakPolarHBondContact CA-O 3.41Å; S676-V687 PolarHBondContact N-O 2.91Å; S676-V687 PolarHBondContact O-N 3.23Å; Y685-V687 HydrophobicContact CD1-CG2 4.39Å; Y685-V687 HydrophobicContact CE1-CG2 3.73Å; Y685-V687 HydrophobicContact CE2-CG2 3.9Å; Y685-V687 VanDerWaalsContact CZ-CG2 3.45Å
688L95.8Very high86.1Confident0 Ų059.6 Ų59.60%030%0.304CS..EExtended strand (participates in β ladder)trans-103.9107.3165.9-73.277.8000108.3M582 I586 D596 L597 I599 T637 L660 R674 Y675 L690M582-L688 HydrophobicContact CE-CD1 3.85Å; M582-L688 HydrophobicContact CE-CD2 3.48Å; M582-L688 VanDerWaalsContact CE-CD2 3.48Å; M582-L688 HydrophobicContact CE-CG 4.33Å; I586-L688 HydrophobicContact CD1-CD2 3.82Å; I586-L688 HydrophobicContact CG1-CD2 4.04Å; D596-L688 CarbonylContact C-O 3.54Å; D596-L688 WeakPolarHBondContact CA-O 3.38Å; L597-L688 HydrophobicContact CB-CB 4.29Å; L597-L688 PolarHBondContact N-O 2.63Å; L597-L688 PolarHBondContact O-N 3.2Å; I599-L688 HydrophobicContact CD1-CD1 4.36Å; T637-L688 HydrophobicContact CG2-CD2 4.29Å; L660-L688 HydrophobicContact CD1-CD2 4.33Å; L660-L688 HydrophobicContact CD2-CD2 3.8Å; R674-L688 CarbonylContact O-C 3.47Å; R674-L688 VanDerWaalsContact O-CA 3.3Å; R674-L688 WeakPolarHBondContact O-CA 3.28Å; Y675-L688 HydrophobicContact CD2-CD1 3.81Å; Y675-L688 HydrophobicContact CD2-CG 4.11Å; Y675-L688 HydrophobicContact CE2-CD1 4.28Å; L688-L690 HydrophobicContact CB-CD2 4.17Å; L688-L690 PolarHBondContact O-N 2.97Å
689R92.7Very high85.9Confident107 Ų10754 Ų5440%0.40428%0.284SS..EExtended strand (participates in β ladder)trans-78118.1170.9179.8165.8-67.5157.26109.4D596 A673 R674D596-R689 IonicContact OD1-CZ 3.15Å; D596-R689 IonicContact OD1-NE 3.16Å; D596-R689 PolarHBondContact OD1-NE 3.34Å; D596-R689 VanDerWaalsContact OD1-NE 3.08Å; D596-R689 IonicContact OD1-NH2 3.98Å; A673-R689 CarbonylContact C-O 3.56Å; A673-R689 WeakPolarHBondContact CA-O 3.39Å; R674-R689 HydrophobicContact CB-CB 4.37Å; R674-R689 PolarHBondContact N-O 2.89Å; R674-R689 PolarHBondContact O-N 2.94Å
690L91.8Very high86Confident12 Ų1254.6 Ų54.66%0.06329%0.288CS..EExtended strand (participates in β ladder)trans-92.8125.4-174.8-50.8-177.8000110.2I586 A589 S595 L670 A673 L688I586-L690 HydrophobicContact CG2-CD2 4.2Å; A589-L690 HydrophobicContact CB-CD1 3.64Å; S595-L690 PolarHBondContact O-N 3.23Å; L670-L690 HydrophobicContact CD1-CB 4.15Å; L670-L690 HydrophobicContact CD1-CD1 4.46Å; L670-L690 HydrophobicContact CD1-CD2 3.89Å; L670-L690 HydrophobicContact CD1-CG 4.38Å; L670-L690 HydrophobicContact CD2-CB 4.18Å; A673-L690 HydrophobicContact CB-CD2 4.2Å; L688-L690 HydrophobicContact CB-CD2 4.17Å; L688-L690 PolarHBondContact O-N 2.97Å
691I87.2Confident86.3Confident12 Ų1251.8 Ų51.86%0.06227%0.269CS..EExtended strand (participates in β ladder)trans-107.5110.5178.7-52.3170.1000107.2F671 G672 E773F671-I691 HydrophobicContact CB-CG2 4.27Å; F671-I691 HydrophobicContact CD1-CG2 4.15Å; F671-I691 PolarHBondContact N-O 2.62Å; G672-I691 PolarHBondContact N-O 3.21Å; G672-I691 WeakPolarHBondContact O-CA 3.15Å; G672-I691 VanDerWaalsContact O-CB 3.28Å; G672-I691 WeakPolarHBondContact O-CB 3.36Å; G672-I691 PolarHBondContact O-N 3.34Å; I691-E773 WeakPolarHBondContact CD1-OE2 3.34Å; I691-E773 WeakPolarHBondContact CG1-OE2 3.3Å; I691-E773 WeakPolarHBondContact CG2-O 3.47Å
692K82.6Confident86.9Confident91 Ų9149 Ų4940%0.39626%0.255SS..EExtended strand (participates in β ladder)trans-65.5145.1179.6-64.7-171.9-175.7-179.20111.1S593 D694S593-K692 PolarHBondContact OG-NZ 3.45Å; K692-D694 PolarHBondContact O-N 3.31Å
693D76.3Confident87.8Confident82 Ų8254.6 Ų54.644%0.43928%0.278SS..  trans-84.485.9168.8-163.82.8000110.9F671 S695F671-D693 HydrophobicContact CB-CB 3.98Å; D693-S695 VanDerWaalsContact C-N 3.33Å; D693-S695 WeakPolarHBondContact OD1-CB 3.4Å; D693-S695 PolarHBondContact OD1-N 3.37Å; D693-S695 PolarHBondContact OD1-OG 3.34Å
694D74.5Confident88.3Confident36 Ų3654.4 Ų54.419%0.19327%0.27CS..  trans-96.515.7171.263.1-1.3000112.1K692 Q696 H697 I698 R740K692-D694 PolarHBondContact O-N 3.31Å; D694-Q696 PolarHBondContact O-N 3.42Å; D694-H697 CarbonylContact O-C 3.52Å; D694-H697 VanDerWaalsContact O-C 3.22Å; D694-H697 PolarHBondContact O-N 2.87Å; D694-I698 PolarHBondContact O-N 2.98Å; D694-R740 IonicContact OD1-CZ 2.76Å; D694-R740 IonicContact OD1-NH1 3.8Å; D694-R740 PolarHBondContact OD1-NH1 2.81Å; D694-R740 IonicContact OD1-NH2 3.68Å; D694-R740 PolarHBondContact OD1-NH2 3.45Å; D694-R740 IonicContact OD2-CZ 2.58Å; D694-R740 IonicContact OD2-NH1 3.76Å; D694-R740 PolarHBondContact OD2-NH1 3.13Å; D694-R740 IonicContact OD2-NH2 2.87Å; D694-R740 PolarHBondContact OD2-NH2 3.07Å
695S68.5Low88.4Confident15 Ų1554.9 Ų54.911%0.10528%0.275CS..THydrogen-bonded Turntrans-56.6-28.3-173-62.40000114.1D693 R775D693-S695 VanDerWaalsContact C-N 3.33Å; D693-S695 WeakPolarHBondContact OD1-CB 3.4Å; D693-S695 PolarHBondContact OD1-N 3.37Å; D693-S695 PolarHBondContact OD1-OG 3.34Å; S695-R775 VanDerWaalsContact OG-CB 3.29Å; S695-R775 WeakPolarHBondContact OG-CB 3.37Å; S695-R775 PolarHBondContact OG-N 3.37Å
696Q67.8Low88.5Confident171 Ų17151.3 Ų51.380%0.79926%0.262SS*.THydrogen-bonded Turntrans-87.4-18.3178.2-63.3-15911.600113.6D694D694-Q696 PolarHBondContact O-N 3.42Å
697H81.4Confident88.6Confident155 Ų15554.4 Ų54.472%0.71828%0.276SS*.  trans-141.365.2-172.9-59.197.8000110.3D694D694-H697 CarbonylContact O-C 3.52Å; D694-H697 VanDerWaalsContact O-C 3.22Å; D694-H697 PolarHBondContact O-N 2.87Å
698I86.2Confident88.5Confident33 Ų3357.2 Ų57.217%0.16929%0.294CS..PPolyproline II helixtrans-60.1125.3173.6-60.2176.6000108.2D694 A744D694-I698 PolarHBondContact O-N 2.98Å; I698-A744 HydrophobicContact CB-CB 4.45Å; I698-A744 HydrophobicContact CD1-CB 3.94Å; I698-A744 HydrophobicContact CG2-CB 4.04Å
699P90.7Very high88.5Confident24 Ų2461.8 Ų61.816%0.15632%0.316CS..PPolyproline II helixtrans-66.2148.4-177.426.3-34.2000111.2M703 L704 T737 T741P699-M703 HydrophobicContact CB-CB 4.1Å; P699-M703 HydrophobicContact CB-SD 4.47Å; P699-L704 HydrophobicContact CB-CD2 3.92Å; P699-L704 HydrophobicContact CB-CG 4.22Å; P699-L704 HydrophobicContact CG-CD2 3.61Å; P699-L704 HydrophobicContact CG-CG 4.18Å; P699-T737 HydrophobicContact CG-CG2 3.98Å; P699-T741 WeakPolarHBondContact O-CB 3.4Å; P699-T741 WeakPolarHBondContact O-CG2 3.23Å; P699-T741 PolarHBondContact O-OG1 3.48Å
700T93.8Very high88.7Confident53 Ų5357 Ų5733%0.32530%0.298SS..PPolyproline II helixtrans-77.9164169.363.10000111S702 M703 L704T700-S702 VanDerWaalsContact C-N 3.26Å; T700-S702 PolarHBondContact O-N 3.08Å; T700-M703 HydrophobicContact CG2-CE 3.76Å; T700-M703 PolarHBondContact O-N 3.47Å; T700-M703 WeakPolarHBondContact OG1-CG 3.35Å; T700-M703 PolarHBondContact OG1-N 3.28Å; T700-L704 PolarHBondContact O-N 2.84Å
701F96.2Very high88.9Confident1 Ų158 Ų580%0.00430%0.302CS..Hα-helixtrans-56.2-41.2175.1-71.9-69.7000112.4M703 L704 G705 Y706 E711 V714 L718 T738 T741 A742 A745F701-M703 PolarHBondContact O-N 3.49Å; F701-L704 PolarHBondContact O-N 2.7Å; F701-G705 PolarHBondContact O-N 3.34Å; F701-G705 VanDerWaalsContact O-N 3.08Å; F701-Y706 HydrophobicContact CB-CD2 4.23Å; F701-Y706 HydrophobicContact CB-CG 4.34Å; F701-Y706 AromaticContact CD1-CD2 3.83Å; F701-Y706 HydrophobicContact CD1-CD2 3.83Å; F701-Y706 AromaticContact CD1-CE2 3.98Å; F701-Y706 HydrophobicContact CD1-CE2 3.98Å; F701-Y706 HydrophobicContact CD1-CG 4.25Å; F701-Y706 WeakPolarHBondContact O-CB 3.44Å; F701-Y706 PolarHBondContact O-N 2.64Å; F701-E711 HydrophobicContact CB-CB 4.07Å; F701-E711 HydrophobicContact CB-CG 3.8Å; F701-E711 HydrophobicContact CD2-CG 4.13Å; F701-E711 HydrophobicContact CG-CG 4.28Å; F701-V714 HydrophobicContact CE1-CG1 3.85Å; F701-V714 HydrophobicContact CE2-CG1 4.03Å; F701-V714 HydrophobicContact CZ-CB 4.37Å; F701-V714 HydrophobicContact CZ-CG1 3.42Å; F701-V714 VanDerWaalsContact CZ-CG1 3.42Å; F701-L718 HydrophobicContact CE2-CD1 4.35Å; F701-L718 HydrophobicContact CZ-CD1 4.4Å; F701-T738 HydrophobicContact CE1-CG2 4.17Å; F701-T741 HydrophobicContact CD1-CG2 3.87Å; F701-T741 HydrophobicContact CD2-CG2 3.95Å; F701-T741 HydrophobicContact CE1-CG2 3.95Å; F701-T741 HydrophobicContact CE2-CG2 4.04Å; F701-T741 HydrophobicContact CG-CG2 3.88Å; F701-T741 HydrophobicContact CZ-CG2 4.04Å; F701-A742 HydrophobicContact CE1-CB 4.4Å; F701-A742 HydrophobicContact CZ-CB 3.76Å; F701-A745 HydrophobicContact CE2-CB 4.02Å
702S95.7Very high89.3Confident79 Ų7965.2 Ų65.255%0.55233%0.329SS*.Hα-helixtrans-58.8-44.1173.1179.60000112.8T700 L704 G705 E711T700-S702 VanDerWaalsContact C-N 3.26Å; T700-S702 PolarHBondContact O-N 3.08Å; S702-L704 VanDerWaalsContact C-N 3.33Å; S702-L704 PolarHBondContact O-N 3.29Å; S702-G705 WeakPolarHBondContact O-CA 3.38Å; S702-G705 PolarHBondContact O-N 3.43Å; S702-E711 PolarHBondContact N-OE2 3.2Å
703M94.6Very high90Very high138 Ų13862.2 Ų62.268%0.6832%0.321SS*.Hα-helixtrans-65.1-35.1176.2-69.9-179.2-135.100112.8P699 T700 F701 G705P699-M703 HydrophobicContact CB-CB 4.1Å; P699-M703 HydrophobicContact CB-SD 4.47Å; T700-M703 HydrophobicContact CG2-CE 3.76Å; T700-M703 PolarHBondContact O-N 3.47Å; T700-M703 WeakPolarHBondContact OG1-CG 3.35Å; T700-M703 PolarHBondContact OG1-N 3.28Å; F701-M703 PolarHBondContact O-N 3.49Å; M703-G705 PolarHBondContact O-N 2.88Å
704L95.5Very high91Very high24 Ų2458.5 Ų58.513%0.12630%0.301CS..Hα-helixtrans-66.9-22.7172.7-65.7-177.1000112.3P699 T700 F701 S702 Y706 T737 T741 T925 V926P699-L704 HydrophobicContact CB-CD2 3.92Å; P699-L704 HydrophobicContact CB-CG 4.22Å; P699-L704 HydrophobicContact CG-CD2 3.61Å; P699-L704 HydrophobicContact CG-CG 4.18Å; T700-L704 PolarHBondContact O-N 2.84Å; F701-L704 PolarHBondContact O-N 2.7Å; S702-L704 VanDerWaalsContact C-N 3.33Å; S702-L704 PolarHBondContact O-N 3.29Å; L704-Y706 HydrophobicContact CB-CD2 4.12Å; L704-Y706 HydrophobicContact CB-CE2 4.39Å; L704-Y706 HydrophobicContact CD1-CE2 4.4Å; L704-T737 HydrophobicContact CD2-CG2 3.85Å; L704-T741 HydrophobicContact CD1-CG2 4.18Å; L704-T925 PolarHBondContact O-OG1 2.72Å; L704-V926 HydrophobicContact CB-CG2 4.17Å; L704-V926 WeakPolarHBondContact O-CB 3.07Å; L704-V926 WeakPolarHBondContact O-CG2 3.21Å; L704-V926 PolarHBondContact O-N 2.72Å
705G96.6Very high92Very high12 Ų1260.3 Ų60.312%0.12431%0.305CS..THydrogen-bonded Turntrans100.323.4178.100000114.4F701 S702 M703 T925 H965 K969F701-G705 PolarHBondContact O-N 3.34Å; F701-G705 VanDerWaalsContact O-N 3.08Å; S702-G705 WeakPolarHBondContact O-CA 3.38Å; S702-G705 PolarHBondContact O-N 3.43Å; M703-G705 PolarHBondContact O-N 2.88Å; G705-T925 WeakPolarHBondContact CA-OG1 3.32Å; G705-H965 PolarHBondContact O-CE1 2.83Å; G705-H965 PolarHBondContact O-NE2 3.18Å; G705-H965 VanDerWaalsContact O-NE2 3.08Å; G705-K969 PolarHBondContact O-NZ 2.72Å
706Y97.8Very high93.3Very high9 Ų968.4 Ų68.44%0.03533%0.333CS..  trans-66.8142.1168.4-80.8-95.9000111F701 L704 Q710 T738 Q868 V926 A928 V930F701-Y706 HydrophobicContact CB-CD2 4.23Å; F701-Y706 HydrophobicContact CB-CG 4.34Å; F701-Y706 AromaticContact CD1-CD2 3.83Å; F701-Y706 HydrophobicContact CD1-CD2 3.83Å; F701-Y706 AromaticContact CD1-CE2 3.98Å; F701-Y706 HydrophobicContact CD1-CE2 3.98Å; F701-Y706 HydrophobicContact CD1-CG 4.25Å; F701-Y706 WeakPolarHBondContact O-CB 3.44Å; F701-Y706 PolarHBondContact O-N 2.64Å; L704-Y706 HydrophobicContact CB-CD2 4.12Å; L704-Y706 HydrophobicContact CB-CE2 4.39Å; L704-Y706 HydrophobicContact CD1-CE2 4.4Å; Y706-Q710 HydrophobicContact CD1-CB 3.92Å; Y706-T738 HydrophobicContact CE2-CG2 4.02Å; Y706-T738 WeakPolarHBondContact OH-CG2 3.18Å; Y706-Q868 PolarHBondContact OH-OE1 2.58Å; Y706-V926 HydrophobicContact CD2-CG1 4.31Å; Y706-V926 HydrophobicContact CE2-CB 4.38Å; Y706-V926 HydrophobicContact CE2-CG1 3.87Å; Y706-V926 HydrophobicContact CE2-CG2 4.38Å; Y706-A928 HydrophobicContact CD1-CB 4.25Å; Y706-A928 HydrophobicContact CE1-CB 3.71Å; Y706-V930 HydrophobicContact CD1-CG2 4.47Å; Y706-V930 HydrophobicContact CE1-CG2 4.09Å
707H97.1Very high94.7Very high65 Ų6560.5 Ų60.530%0.30130%0.297SS..  trans-65.9146.1171.5-170.3-101.4000110.3E709 Q710 E711 M960H707-E709 IonicContact CE1-OE2 3.02Å; H707-E709 PolarHBondContact ND1-N 2.93Å; H707-E709 IonicContact ND1-OE2 2.8Å; H707-E709 PolarHBondContact O-N 3.32Å; H707-E709 VanDerWaalsContact O-N 3.07Å; H707-Q710 HydrophobicContact CB-CB 4.36Å; H707-Q710 HydrophobicContact CB-CG 3.99Å; H707-Q710 WeakPolarHBondContact O-CA 3.35Å; H707-Q710 WeakPolarHBondContact O-CB 3.21Å; H707-Q710 PolarHBondContact O-N 3.27Å; H707-E711 PolarHBondContact O-N 3.01Å; H707-M960 HydrophobicContact CB-CE 4.26Å; H707-M960 HydrophobicContact CB-SD 3.92Å; H707-M960 WeakPolarHBondContact ND1-CE 3.4Å
708P96.3Very high95.4Very high82 Ų8253.2 Ų53.253%0.53226%0.263SS..Hα-helixtrans-52.8-34-179.6-30.836.7000114.7R712P708-R712 WeakPolarHBondContact O-CB 3.24Å; P708-R712 PolarHBondContact O-N 3.34Å
709E95.2Very high95.8Very high96 Ų9657.3 Ų57.345%0.44928%0.282SS..Hα-helixtrans-71.3-37.2175.7-63.3-178.6153.600112.8H707 R712 A713H707-E709 IonicContact CE1-OE2 3.02Å; H707-E709 PolarHBondContact ND1-N 2.93Å; H707-E709 IonicContact ND1-OE2 2.8Å; H707-E709 PolarHBondContact O-N 3.32Å; H707-E709 VanDerWaalsContact O-N 3.07Å; E709-R712 PolarHBondContact O-N 2.98Å; E709-A713 WeakPolarHBondContact O-CB 3.5Å; E709-A713 PolarHBondContact O-N 2.81Å
710Q97Very high96Very high7 Ų760.3 Ų60.33%0.03329%0.29CS..Hα-helixtrans-68.3-44.2174.9-63.5178.6-20.500110.5Y706 H707 R712 A713 V714 A928 V930 H965Y706-Q710 HydrophobicContact CD1-CB 3.92Å; H707-Q710 HydrophobicContact CB-CB 4.36Å; H707-Q710 HydrophobicContact CB-CG 3.99Å; H707-Q710 WeakPolarHBondContact O-CA 3.35Å; H707-Q710 WeakPolarHBondContact O-CB 3.21Å; H707-Q710 PolarHBondContact O-N 3.27Å; Q710-R712 VanDerWaalsContact C-N 3.31Å; Q710-R712 PolarHBondContact O-N 2.97Å; Q710-A713 WeakPolarHBondContact O-CB 3.49Å; Q710-A713 PolarHBondContact O-N 2.76Å; Q710-V714 WeakPolarHBondContact O-CG2 3.44Å; Q710-V714 PolarHBondContact O-N 2.86Å; Q710-A928 PolarHBondContact NE2-O 2.83Å; Q710-V930 HydrophobicContact CB-CB 4.48Å; Q710-V930 HydrophobicContact CB-CG2 3.99Å; Q710-V930 HydrophobicContact CG-CB 4.42Å; Q710-V930 HydrophobicContact CG-CG2 4.12Å; Q710-H965 PolarHBondContact OE1-CE1 2.92Å; Q710-H965 PolarHBondContact OE1-ND1 3.12Å; Q710-H965 VanDerWaalsContact OE1-ND1 3.09Å
711E96.7Very high95.9Very high33 Ų3362.2 Ų62.215%0.15430%0.303CS..Hα-helixtrans-58.4-44.5173.5176.1168.6177.600111F701 S702 H707 A713 V714 R715F701-E711 HydrophobicContact CB-CB 4.07Å; F701-E711 HydrophobicContact CB-CG 3.8Å; F701-E711 HydrophobicContact CD2-CG 4.13Å; F701-E711 HydrophobicContact CG-CG 4.28Å; S702-E711 PolarHBondContact N-OE2 3.2Å; H707-E711 PolarHBondContact O-N 3.01Å; E711-A713 VanDerWaalsContact C-N 3.32Å; E711-A713 PolarHBondContact O-N 2.91Å; E711-V714 PolarHBondContact O-N 2.89Å; E711-R715 HydrophobicContact CG-CG 4.32Å; E711-R715 WeakPolarHBondContact O-CB 3.46Å; E711-R715 WeakPolarHBondContact O-CG 3.33Å; E711-R715 PolarHBondContact O-N 2.93Å; E711-R715 IonicContact OE1-CZ 3.26Å; E711-R715 VanDerWaalsContact OE1-CZ 3.28Å; E711-R715 IonicContact OE1-NE 3.12Å; E711-R715 PolarHBondContact OE1-NE 2.78Å; E711-R715 IonicContact OE1-NH2 2.85Å; E711-R715 PolarHBondContact OE1-NH2 2.83Å
712R95.8Very high95.9Very high164 Ų16465.5 Ų65.562%0.61932%0.318SS*.Hα-helixtrans-59.1-43.6175.6-171.5-172.2-58.7132.12.2111.8P708 E709 Q710 R716P708-R712 WeakPolarHBondContact O-CB 3.24Å; P708-R712 PolarHBondContact O-N 3.34Å; E709-R712 PolarHBondContact O-N 2.98Å; Q710-R712 VanDerWaalsContact C-N 3.31Å; Q710-R712 PolarHBondContact O-N 2.97Å; R712-R716 WeakPolarHBondContact O-CB 3.15Å; R712-R716 PolarHBondContact O-N 3.29Å
713A95.7Very high95.9Very high27 Ų2761.8 Ų61.822%0.22329%0.292CS..Hα-helixtrans-62.6-48.4177.300000111.5E709 Q710 E711 R715 R716 M717 V930E709-A713 WeakPolarHBondContact O-CB 3.5Å; E709-A713 PolarHBondContact O-N 2.81Å; Q710-A713 WeakPolarHBondContact O-CB 3.49Å; Q710-A713 PolarHBondContact O-N 2.76Å; E711-A713 VanDerWaalsContact C-N 3.32Å; E711-A713 PolarHBondContact O-N 2.91Å; A713-R715 PolarHBondContact O-N 3.17Å; A713-R716 WeakPolarHBondContact O-CB 3.49Å; A713-R716 PolarHBondContact O-N 3.07Å; A713-M717 HydrophobicContact CB-CE 4.5Å; A713-M717 WeakPolarHBondContact O-CG 3.49Å; A713-M717 PolarHBondContact O-N 2.75Å; A713-V930 HydrophobicContact CB-CG1 4.07Å
714V97.2Very high96Very high5 Ų555.2 Ų55.23%0.0326%0.26CS..Hα-helixtrans-62-45.8178.2177.70000111.3F701 Q710 E711 R716 M717 L718 L866 V930F701-V714 HydrophobicContact CE1-CG1 3.85Å; F701-V714 HydrophobicContact CE2-CG1 4.03Å; F701-V714 HydrophobicContact CZ-CB 4.37Å; F701-V714 HydrophobicContact CZ-CG1 3.42Å; F701-V714 VanDerWaalsContact CZ-CG1 3.42Å; Q710-V714 WeakPolarHBondContact O-CG2 3.44Å; Q710-V714 PolarHBondContact O-N 2.86Å; E711-V714 PolarHBondContact O-N 2.89Å; V714-R716 VanDerWaalsContact C-N 3.28Å; V714-R716 PolarHBondContact O-N 3.34Å; V714-M717 WeakPolarHBondContact O-CA 3.41Å; V714-M717 WeakPolarHBondContact O-CB 3.48Å; V714-M717 PolarHBondContact O-N 3.45Å; V714-L718 HydrophobicContact CG1-CD1 4.21Å; V714-L718 HydrophobicContact CG1-CG 4.38Å; V714-L718 WeakPolarHBondContact O-CG 3.31Å; V714-L718 PolarHBondContact O-N 3.38Å; V714-L866 HydrophobicContact CG2-CD2 3.85Å; V714-V930 HydrophobicContact CG2-CG1 4.01Å; V714-V930 HydrophobicContact CG2-CG2 4.47Å
715R96.6Very high96.2Very high73 Ų7354.4 Ų54.428%0.27526%0.256SS..Hα-helixtrans-59.8-38.8176.1-73.3-176-179-82.72.5112.2E711 A713 M717 L718 Q719E711-R715 HydrophobicContact CG-CG 4.32Å; E711-R715 WeakPolarHBondContact O-CB 3.46Å; E711-R715 WeakPolarHBondContact O-CG 3.33Å; E711-R715 PolarHBondContact O-N 2.93Å; E711-R715 IonicContact OE1-CZ 3.26Å; E711-R715 VanDerWaalsContact OE1-CZ 3.28Å; E711-R715 IonicContact OE1-NE 3.12Å; E711-R715 PolarHBondContact OE1-NE 2.78Å; E711-R715 IonicContact OE1-NH2 2.85Å; E711-R715 PolarHBondContact OE1-NH2 2.83Å; A713-R715 PolarHBondContact O-N 3.17Å; R715-M717 VanDerWaalsContact C-N 3.33Å; R715-M717 PolarHBondContact O-N 3.05Å; R715-L718 PolarHBondContact O-N 2.94Å; R715-Q719 WeakPolarHBondContact O-CG 3.47Å; R715-Q719 PolarHBondContact O-N 3.03Å; R715-Q719 VanDerWaalsContact O-N 3.12Å
716R95.4Very high96.2Very high185 Ų18553.9 Ų53.970%0.69825%0.251SS*.Hα-helixtrans-64.9-36.1174.5-169.6-180-179.1109.1-1.8112.3R712 A713 V714 Q719R712-R716 WeakPolarHBondContact O-CB 3.15Å; R712-R716 PolarHBondContact O-N 3.29Å; A713-R716 WeakPolarHBondContact O-CB 3.49Å; A713-R716 PolarHBondContact O-N 3.07Å; V714-R716 VanDerWaalsContact C-N 3.28Å; V714-R716 PolarHBondContact O-N 3.34Å; R716-Q719 PolarHBondContact O-N 2.92Å
717M96.6Very high96.2Very high5 Ų553.6 Ų53.63%0.02525%0.25CC..Hα-helixtrans-64.5-43.5172.7-62.6163-174.900110.9A713 V714 R715 Q719 R720 V725 I863 G864 L866 V930A713-M717 HydrophobicContact CB-CE 4.5Å; A713-M717 WeakPolarHBondContact O-CG 3.49Å; A713-M717 PolarHBondContact O-N 2.75Å; V714-M717 WeakPolarHBondContact O-CA 3.41Å; V714-M717 WeakPolarHBondContact O-CB 3.48Å; V714-M717 PolarHBondContact O-N 3.45Å; R715-M717 VanDerWaalsContact C-N 3.33Å; R715-M717 PolarHBondContact O-N 3.05Å; M717-Q719 PolarHBondContact O-N 3.08Å; M717-R720 VanDerWaalsContact O-CB 3.24Å; M717-R720 WeakPolarHBondContact O-CB 3.43Å; M717-R720 WeakPolarHBondContact O-CG 3.38Å; M717-R720 PolarHBondContact O-N 3.2Å; M717-R720 VanDerWaalsContact O-N 3.09Å; M717-V725 HydrophobicContact CB-CG2 3.99Å; M717-I863 HydrophobicContact CB-CD1 4.38Å; M717-G864 VanDerWaalsContact SD-CA 3.57Å; M717-L866 HydrophobicContact SD-CD1 4.07Å; M717-V930 HydrophobicContact CE-CG1 3.8Å
718L96.9Very high96.2Very high3 Ų350.5 Ų50.52%0.01624%0.235CC..Hα-helixtrans-66.9-19.7179.2-63.6175.5000113.8F701 V714 R715 R720 A742 A745 Y746 Q749 L829 L831F701-L718 HydrophobicContact CE2-CD1 4.35Å; F701-L718 HydrophobicContact CZ-CD1 4.4Å; V714-L718 HydrophobicContact CG1-CD1 4.21Å; V714-L718 HydrophobicContact CG1-CG 4.38Å; V714-L718 WeakPolarHBondContact O-CG 3.31Å; V714-L718 PolarHBondContact O-N 3.38Å; R715-L718 PolarHBondContact O-N 2.94Å; L718-R720 VanDerWaalsContact C-N 3.29Å; L718-A742 HydrophobicContact CD1-CB 4.2Å; L718-A742 WeakPolarHBondContact CD1-O 3.23Å; L718-A742 HydrophobicContact CD2-CB 4.31Å; L718-A745 HydrophobicContact CD1-CB 4.16Å; L718-Y746 WeakPolarHBondContact O-CD2 3.37Å; L718-Q749 PolarHBondContact O-NE2 3.38Å; L718-L829 HydrophobicContact CD2-CD2 4.25Å; L718-L831 HydrophobicContact CD2-CD1 4.24Å; L718-L831 HydrophobicContact CD2-CD2 3.91Å
719Q95Very high96Very high119 Ų11946.6 Ų46.656%0.55621%0.21SC*.THydrogen-bonded Turntrans-79-12.1174.4-73.2171.6-13.100113.3R715 R716 M717 Y750R715-Q719 WeakPolarHBondContact O-CG 3.47Å; R715-Q719 PolarHBondContact O-N 3.03Å; R715-Q719 VanDerWaalsContact O-N 3.12Å; R716-Q719 PolarHBondContact O-N 2.92Å; M717-Q719 PolarHBondContact O-N 3.08Å; Q719-Y750 PolarHBondContact O-OH 2.89Å
720R94.7Very high95.7Very high86 Ų8644.6 Ų44.633%0.32521%0.206SC..  trans-70.2138.2179.2-65.1-75.1-63-100.2-8.7109.6M717 L718 E722 Q860 I863M717-R720 VanDerWaalsContact O-CB 3.24Å; M717-R720 WeakPolarHBondContact O-CB 3.43Å; M717-R720 WeakPolarHBondContact O-CG 3.38Å; M717-R720 PolarHBondContact O-N 3.2Å; M717-R720 VanDerWaalsContact O-N 3.09Å; L718-R720 VanDerWaalsContact C-N 3.29Å; R720-E722 VanDerWaalsContact C-N 3.26Å; R720-E722 PolarHBondContact O-N 3.33Å; R720-Q860 PolarHBondContact NH2-O 3.34Å; R720-I863 HydrophobicContact CB-CD1 3.79Å; R720-I863 HydrophobicContact CG-CD1 3.88Å
721P92.4Very high95.1Very high93 Ų9349 Ų4960%0.60423%0.233SC*.SBendtrans-68.2-30.1176.328-34.1000112L829P721-L829 PolarHBondContact O-N 3.38Å
722E95.1Very high94.5Very high70 Ų7050 Ų5033%0.32725%0.253SS..SBendtrans-146.2161.1-175.770-171.6178.800111.6R720 G827 H828R720-E722 VanDerWaalsContact C-N 3.26Å; R720-E722 PolarHBondContact O-N 3.33Å; E722-G827 VanDerWaalsContact OE2-CA 3.29Å; E722-G827 WeakPolarHBondContact OE2-CA 3.49Å; E722-H828 WeakPolarHBondContact CA-O 3.38Å
723G96.1Very high94.2Very high1 Ų142.4 Ų42.41%0.0123%0.225CC..EExtended strand (participates in β ladder)trans124170.9177.600000112.4H828 M830 L861G723-H828 PolarHBondContact N-O 3.38Å; G723-M830 PolarHBondContact O-N 3.42Å; G723-L861 CarbonylContact C-O 3.24Å; G723-L861 VanDerWaalsContact CA-O 3.31Å; G723-L861 WeakPolarHBondContact CA-O 3.45Å
724I97.4Very high93.9Very high1 Ų141.9 Ų41.91%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-109.1128.9-176.4-48.1174.1000109.5I726 I821 A824 M830 T832 L861 F862 I863 G864I724-I726 HydrophobicContact CG2-CD1 4Å; I724-I726 HydrophobicContact CG2-CG1 3.54Å; I724-I821 HydrophobicContact CD1-CB 4.32Å; I724-I821 HydrophobicContact CD1-CG1 3.71Å; I724-A824 HydrophobicContact CD1-CB 3.98Å; I724-A824 HydrophobicContact CG1-CB 3.28Å; I724-M830 CarbonylContact C-O 3.58Å; I724-M830 WeakPolarHBondContact CA-O 3.46Å; I724-M830 HydrophobicContact CB-CB 4.49Å; I724-M830 HydrophobicContact CG1-CB 4.19Å; I724-M830 HydrophobicContact CG2-CB 4.39Å; I724-M830 HydrophobicContact CG2-CG 4.36Å; I724-T832 HydrophobicContact CG2-CG2 4.14Å; I724-L861 HydrophobicContact CD1-CD1 3.97Å; I724-L861 HydrophobicContact CD1-CG 4.17Å; I724-L861 HydrophobicContact CG1-CD1 4.07Å; I724-L861 PolarHBondContact N-O 3.25Å; I724-F862 HydrophobicContact CD1-CE1 4.17Å; I724-F862 HydrophobicContact CD1-CE2 4.17Å; I724-F862 HydrophobicContact CD1-CZ 3.89Å; I724-I863 WeakPolarHBondContact O-CG1 3.32Å; I724-I863 PolarHBondContact O-N 3.23Å; I724-G864 PolarHBondContact O-N 2.92Å
725V97.9Very high93.8Very high7 Ų742.6 Ų42.64%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-110.4118.9165.6-177.30000108M717 L829 M830 L831 T832 I863 G864 L866M717-V725 HydrophobicContact CB-CG2 3.99Å; V725-L829 HydrophobicContact CG2-CD1 4.48Å; V725-M830 PolarHBondContact N-O 3.28Å; V725-L831 HydrophobicContact CB-CD2 3.76Å; V725-L831 HydrophobicContact CG1-CD2 4.48Å; V725-L831 HydrophobicContact CG2-CD2 3.99Å; V725-T832 PolarHBondContact O-N 3.4Å; V725-I863 HydrophobicContact CG2-CD1 3.9Å; V725-I863 HydrophobicContact CG2-CG1 3.82Å; V725-G864 WeakPolarHBondContact CA-O 3.49Å; V725-L866 HydrophobicContact CG1-CD1 3.7Å
726I97.7Very high93.5Very high1 Ų142 Ų421%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-111.2125.3179.6-52.3-173.3000109.5I724 T832 L834 I842 L846 F862 G864 L866I724-I726 HydrophobicContact CG2-CD1 4Å; I724-I726 HydrophobicContact CG2-CG1 3.54Å; I726-T832 WeakPolarHBondContact CA-O 3.4Å; I726-T832 HydrophobicContact CB-CG2 4.4Å; I726-T832 HydrophobicContact CD1-CG2 4.38Å; I726-T832 HydrophobicContact CG1-CG2 3.78Å; I726-T832 HydrophobicContact CG2-CG2 4.38Å; I726-L834 HydrophobicContact CG2-CB 3.93Å; I726-I842 HydrophobicContact CB-CD1 4.11Å; I726-I842 HydrophobicContact CB-CG2 3.92Å; I726-I842 HydrophobicContact CD1-CG2 3.65Å; I726-I842 HydrophobicContact CG1-CG2 4.32Å; I726-I842 HydrophobicContact CG2-CD1 3.94Å; I726-I842 HydrophobicContact CG2-CG1 4.37Å; I726-I842 HydrophobicContact CG2-CG2 3.7Å; I726-L846 HydrophobicContact CD1-CD1 3.99Å; I726-F862 HydrophobicContact CD1-CD1 4.24Å; I726-F862 HydrophobicContact CD1-CE1 3.76Å; I726-G864 PolarHBondContact N-O 2.85Å; I726-L866 PolarHBondContact O-N 2.96Å
727L97.7Very high93.3Very high2 Ų235.2 Ų35.21%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-104.7121.5173.5179.960.7000111.3K735 T738 L739 T832 T833 L834 L866 Q868L727-K735 HydrophobicContact CD2-CB 3.88Å; L727-K735 HydrophobicContact CD2-CG 4.23Å; L727-K735 HydrophobicContact CG-CB 4.28Å; L727-K735 HydrophobicContact CG-CG 4.16Å; L727-T738 HydrophobicContact CD2-CG2 3.71Å; L727-L739 HydrophobicContact CD2-CD2 4.48Å; L727-L739 HydrophobicContact CD2-CG 4.28Å; L727-T832 PolarHBondContact N-O 3.04Å; L727-T833 VanDerWaalsContact O-CA 3.23Å; L727-T833 WeakPolarHBondContact O-CA 3.47Å; L727-T833 WeakPolarHBondContact O-CB 3.48Å; L727-L834 PolarHBondContact O-N 3.41Å; L727-L866 HydrophobicContact CD1-CB 3.53Å; L727-L866 HydrophobicContact CD1-CD2 4.26Å; L727-Q868 HydrophobicContact CD1-CG 4.09Å
728S96.4Very high93.3Very high0 Ų035.1 Ų35.10%021%0.21CC..EExtended strand (participates in β ladder)trans-109.8156.4179.681.60000114.5L834 A836 D838 L866 S867 Q868S728-L834 WeakPolarHBondContact CA-O 3.41Å; S728-L834 WeakPolarHBondContact CB-O 3.42Å; S728-A836 PolarHBondContact OG-O 3.4Å; S728-D838 PolarHBondContact OG-O 3.29Å; S728-L866 PolarHBondContact N-O 2.93Å; S728-L866 PolarHBondContact OG-O 3.42Å; S728-S867 WeakPolarHBondContact O-CA 3.08Å; S728-S867 VanDerWaalsContact OG-CB 3.23Å; S728-S867 WeakPolarHBondContact OG-CB 3.4Å; S728-S867 PolarHBondContact OG-OG 3.45Å; S728-Q868 PolarHBondContact O-N 3.43Å
729G92.6Very high93.2Very high1 Ų135.5 Ų35.51%0.0121%0.212CC..  trans154.1164.6172.700000112.4K735 H835G729-K735 PolarHBondContact O-NZ 2.82Å; G729-H835 PolarHBondContact O-ND1 2.93Å
730P89.2Confident93.1Very high54 Ų5430.5 Ų30.535%0.35119%0.188SC..  trans-65.9173179.829.6-36.6000111.3G732 S733 K735 R869P730-G732 PolarHBondContact O-N 2.82Å; P730-S733 WeakPolarHBondContact O-CB 3.18Å; P730-S733 PolarHBondContact O-N 3.07Å; P730-S733 PolarHBondContact O-OG 3.5Å; P730-S733 VanDerWaalsContact O-OG 3.05Å; P730-K735 PolarHBondContact O-NZ 3.19Å; P730-R869 VanDerWaalsContact CD-NE 3.27Å
731T84.2Confident93.2Very high99 Ų9926.6 Ų26.661%0.60717%0.174SC*.THydrogen-bonded Turntrans-56.6137.5170.3-54.60000110S733T731-S733 VanDerWaalsContact C-N 3.29Å; T731-S733 PolarHBondContact O-N 2.8Å
732G83.5Confident93.4Very high55 Ų5522.4 Ų22.457%0.56715%0.147SC*.THydrogen-bonded Turntrans76.37.2-179.200000115.5P730 G734 L870P730-G732 PolarHBondContact O-N 2.82Å; G732-G734 PolarHBondContact O-N 3Å; G732-L870 WeakPolarHBondContact O-CD1 3.45Å
733S90.5Very high93.4Very high4 Ų419.1 Ų19.13%0.02813%0.132CC..SBendtrans-75.1-2.317671.10000114.6P730 T731 K735 Q868 L870P730-S733 WeakPolarHBondContact O-CB 3.18Å; P730-S733 PolarHBondContact O-N 3.07Å; P730-S733 PolarHBondContact O-OG 3.5Å; P730-S733 VanDerWaalsContact O-OG 3.05Å; T731-S733 VanDerWaalsContact C-N 3.29Å; T731-S733 PolarHBondContact O-N 2.8Å; S733-K735 VanDerWaalsContact OG-CG 3.3Å; S733-K735 WeakPolarHBondContact OG-CG 3.37Å; S733-Q868 WeakPolarHBondContact CB-O 3.42Å; S733-Q868 WeakPolarHBondContact O-CG 2.97Å; S733-Q868 PolarHBondContact O-NE2 3.36Å; S733-L870 WeakPolarHBondContact O-CG 3.39Å
734G89.9Confident93.3Very high16 Ų1620.4 Ų20.417%0.16514%0.143CC..SBendtrans89.714.517900000115.7G732 S736 T737 T738 Q868G732-G734 PolarHBondContact O-N 3Å; G734-S736 PolarHBondContact O-N 2.96Å; G734-T737 PolarHBondContact O-N 3.32Å; G734-T738 PolarHBondContact O-N 3.27Å; G734-T738 PolarHBondContact O-OG1 2.7Å; G734-Q868 PolarHBondContact O-NE2 2.84Å
735K94.1Very high93.1Very high20 Ų2020.7 Ų20.79%0.08715%0.145CC..Hα-helixtrans-55-48.9-175.2-57-171.7-66.4-75.10113.5L727 G729 P730 S733 T737 T738 L739 T833L727-K735 HydrophobicContact CD2-CB 3.88Å; L727-K735 HydrophobicContact CD2-CG 4.23Å; L727-K735 HydrophobicContact CG-CB 4.28Å; L727-K735 HydrophobicContact CG-CG 4.16Å; G729-K735 PolarHBondContact O-NZ 2.82Å; P730-K735 PolarHBondContact O-NZ 3.19Å; S733-K735 VanDerWaalsContact OG-CG 3.3Å; S733-K735 WeakPolarHBondContact OG-CG 3.37Å; K735-T737 VanDerWaalsContact C-N 3.32Å; K735-T737 PolarHBondContact O-N 2.93Å; K735-T738 PolarHBondContact O-N 2.85Å; K735-L739 PolarHBondContact O-N 2.98Å; K735-T833 HydrophobicContact CB-CG2 3.95Å; K735-T833 HydrophobicContact CD-CG2 4.17Å
736S90.4Very high93.1Very high60 Ų6020.6 Ų20.642%0.4214%0.144SC..Hα-helixtrans-61.2-42.1-179.1-46.60000111.2G734 L739 R740G734-S736 PolarHBondContact O-N 2.96Å; S736-L739 PolarHBondContact O-N 3.12Å; S736-R740 WeakPolarHBondContact O-CG 3.43Å; S736-R740 PolarHBondContact O-N 3.25Å
737T92.1Very high92.9Very high42 Ų4220.6 Ų20.626%0.25814%0.144SC..Hα-helixtrans-62.1-47.4175.4-49.20000111.5P699 L704 G734 K735 L739 R740 T741P699-T737 HydrophobicContact CG-CG2 3.98Å; L704-T737 HydrophobicContact CD2-CG2 3.85Å; G734-T737 PolarHBondContact O-N 3.32Å; K735-T737 VanDerWaalsContact C-N 3.32Å; K735-T737 PolarHBondContact O-N 2.93Å; T737-L739 VanDerWaalsContact C-N 3.33Å; T737-L739 PolarHBondContact O-N 3.49Å; T737-R740 PolarHBondContact O-N 3.24Å; T737-T741 PolarHBondContact O-N 3.41Å; T737-T741 PolarHBondContact O-OG1 3.42Å
738T95.5Very high92.7Very high3 Ų326.5 Ų26.52%0.01817%0.172CC..Hα-helixtrans-59.7-42.3176.2-60.50000111.9F701 Y706 L727 G734 K735 T741 A742 Q868F701-T738 HydrophobicContact CE1-CG2 4.17Å; Y706-T738 HydrophobicContact CE2-CG2 4.02Å; Y706-T738 WeakPolarHBondContact OH-CG2 3.18Å; L727-T738 HydrophobicContact CD2-CG2 3.71Å; G734-T738 PolarHBondContact O-N 3.27Å; G734-T738 PolarHBondContact O-OG1 2.7Å; K735-T738 PolarHBondContact O-N 2.85Å; T738-T741 WeakPolarHBondContact O-CB 3.31Å; T738-T741 PolarHBondContact O-N 3.33Å; T738-A742 WeakPolarHBondContact O-CB 3.42Å; T738-A742 PolarHBondContact O-N 3.17Å; T738-Q868 PolarHBondContact OG1-NE2 3.49Å; T738-Q868 PolarHBondContact OG1-OE1 2.56Å
739L95.3Very high92.5Very high12 Ų1229.5 Ų29.56%0.06319%0.186CC..Hα-helixtrans-67.3-35.3177.6-75.6-172000112.7L727 K735 S736 T737 A742 S743 L807 L831 T833L727-L739 HydrophobicContact CD2-CD2 4.48Å; L727-L739 HydrophobicContact CD2-CG 4.28Å; K735-L739 PolarHBondContact O-N 2.98Å; S736-L739 PolarHBondContact O-N 3.12Å; T737-L739 VanDerWaalsContact C-N 3.33Å; T737-L739 PolarHBondContact O-N 3.49Å; L739-A742 PolarHBondContact O-N 2.95Å; L739-S743 VanDerWaalsContact O-CB 3.28Å; L739-S743 WeakPolarHBondContact O-CB 3.22Å; L739-S743 PolarHBondContact O-N 3.42Å; L739-S743 PolarHBondContact O-OG 2.98Å; L739-L807 HydrophobicContact CB-CD1 3.94Å; L739-L807 HydrophobicContact CD1-CD1 4.44Å; L739-L807 HydrophobicContact CD1-CG 4.39Å; L739-L831 HydrophobicContact CD2-CB 4.2Å; L739-T833 HydrophobicContact CD1-CG2 3.36Å; L739-T833 HydrophobicContact CG-CG2 4.25Å
740R93.5Very high92.5Very high13 Ų1332.6 Ų32.65%0.04920%0.198CC..Hα-helixtrans-64-43.5171.3-71.8-169.4-65.2110.8-8111.3D694 S736 T737 S743 A744 I776D694-R740 IonicContact OD1-CZ 2.76Å; D694-R740 IonicContact OD1-NH1 3.8Å; D694-R740 PolarHBondContact OD1-NH1 2.81Å; D694-R740 IonicContact OD1-NH2 3.68Å; D694-R740 PolarHBondContact OD1-NH2 3.45Å; D694-R740 IonicContact OD2-CZ 2.58Å; D694-R740 IonicContact OD2-NH1 3.76Å; D694-R740 PolarHBondContact OD2-NH1 3.13Å; D694-R740 IonicContact OD2-NH2 2.87Å; D694-R740 PolarHBondContact OD2-NH2 3.07Å; S736-R740 WeakPolarHBondContact O-CG 3.43Å; S736-R740 PolarHBondContact O-N 3.25Å; T737-R740 PolarHBondContact O-N 3.24Å; R740-S743 WeakPolarHBondContact O-CB 3.38Å; R740-S743 PolarHBondContact O-N 3.01Å; R740-A744 WeakPolarHBondContact O-CB 3.33Å; R740-A744 PolarHBondContact O-N 3.37Å; R740-I776 HydrophobicContact CB-CG1 4.31Å; R740-I776 HydrophobicContact CG-CD1 4.05Å; R740-I776 HydrophobicContact CG-CG1 3.96Å
741T95.1Very high92.5Very high4 Ų431.1 Ų31.13%0.02519%0.193CC..Hα-helixtrans-60.1-44.9172.7-64.90000112.1P699 F701 L704 T737 T738 S743 A744 A745P699-T741 WeakPolarHBondContact O-CB 3.4Å; P699-T741 WeakPolarHBondContact O-CG2 3.23Å; P699-T741 PolarHBondContact O-OG1 3.48Å; F701-T741 HydrophobicContact CD1-CG2 3.87Å; F701-T741 HydrophobicContact CD2-CG2 3.95Å; F701-T741 HydrophobicContact CE1-CG2 3.95Å; F701-T741 HydrophobicContact CE2-CG2 4.04Å; F701-T741 HydrophobicContact CG-CG2 3.88Å; F701-T741 HydrophobicContact CZ-CG2 4.04Å; L704-T741 HydrophobicContact CD1-CG2 4.18Å; T737-T741 PolarHBondContact O-N 3.41Å; T737-T741 PolarHBondContact O-OG1 3.42Å; T738-T741 WeakPolarHBondContact O-CB 3.31Å; T738-T741 PolarHBondContact O-N 3.33Å; T741-S743 VanDerWaalsContact C-N 3.33Å; T741-S743 PolarHBondContact O-N 2.9Å; T741-A744 PolarHBondContact O-N 3.45Å; T741-A745 WeakPolarHBondContact O-CB 3.42Å; T741-A745 PolarHBondContact O-N 3.48Å
742A96.4Very high92.8Very high6 Ų629.5 Ų29.55%0.0518%0.177CC..Hα-helixtrans-62.8-40.8177.100000112.1F701 L718 T738 L739 A745 Y746 L831F701-A742 HydrophobicContact CE1-CB 4.4Å; F701-A742 HydrophobicContact CZ-CB 3.76Å; L718-A742 HydrophobicContact CD1-CB 4.2Å; L718-A742 WeakPolarHBondContact CD1-O 3.23Å; L718-A742 HydrophobicContact CD2-CB 4.31Å; T738-A742 WeakPolarHBondContact O-CB 3.42Å; T738-A742 PolarHBondContact O-N 3.17Å; L739-A742 PolarHBondContact O-N 2.95Å; A742-A745 PolarHBondContact O-N 2.96Å; A742-Y746 VanDerWaalsContact O-CB 3.32Å; A742-Y746 WeakPolarHBondContact O-CB 3.42Å; A742-Y746 PolarHBondContact O-N 3.44Å; A742-L831 HydrophobicContact CB-CD1 4.47Å
743S95.7Very high92.7Very high0 Ų030.4 Ų30.40%017%0.169CC..Hα-helixtrans-64.1-45.8176.5-65.30000112.4L739 R740 T741 Y746 L747 L765 L807L739-S743 VanDerWaalsContact O-CB 3.28Å; L739-S743 WeakPolarHBondContact O-CB 3.22Å; L739-S743 PolarHBondContact O-N 3.42Å; L739-S743 PolarHBondContact O-OG 2.98Å; R740-S743 WeakPolarHBondContact O-CB 3.38Å; R740-S743 PolarHBondContact O-N 3.01Å; T741-S743 VanDerWaalsContact C-N 3.33Å; T741-S743 PolarHBondContact O-N 2.9Å; S743-Y746 WeakPolarHBondContact O-CB 3.45Å; S743-Y746 PolarHBondContact O-N 3.42Å; S743-L747 WeakPolarHBondContact O-CG 3.38Å; S743-L747 PolarHBondContact O-N 2.87Å; S743-L765 VanDerWaalsContact CB-CD2 3.43Å; S743-L807 VanDerWaalsContact OG-CD1 3.24Å; S743-L807 WeakPolarHBondContact OG-CD1 3.32Å
744A93.7Very high92.2Very high29 Ų2935.5 Ų35.524%0.2420%0.196CC..Hα-helixtrans-62.7-46.4176.100000111.3I698 R740 T741 Y746 L747 E748I698-A744 HydrophobicContact CB-CB 4.45Å; I698-A744 HydrophobicContact CD1-CB 3.94Å; I698-A744 HydrophobicContact CG2-CB 4.04Å; R740-A744 WeakPolarHBondContact O-CB 3.33Å; R740-A744 PolarHBondContact O-N 3.37Å; T741-A744 PolarHBondContact O-N 3.45Å; A744-Y746 VanDerWaalsContact C-N 3.27Å; A744-Y746 PolarHBondContact O-N 2.68Å; A744-L747 PolarHBondContact O-N 2.82Å; A744-E748 WeakPolarHBondContact O-CB 3.06Å; A744-E748 PolarHBondContact O-N 2.82Å
745A94.8Very high90.9Very high7 Ų739.3 Ų39.36%0.05822%0.216CC..Hα-helixtrans-61.2-36.1175.500000112.3F701 L718 T741 A742 Q749F701-A745 HydrophobicContact CE2-CB 4.02Å; L718-A745 HydrophobicContact CD1-CB 4.16Å; T741-A745 WeakPolarHBondContact O-CB 3.42Å; T741-A745 PolarHBondContact O-N 3.48Å; A742-A745 PolarHBondContact O-N 2.96Å; A745-Q749 WeakPolarHBondContact O-CB 3.36Å; A745-Q749 PolarHBondContact O-N 3.41Å
746Y96.4Very high89.3Confident4 Ų441.9 Ų41.92%0.01625%0.248CC..Hα-helixtrans-65.4-41.2174.7171-88.6000112.3L718 A742 S743 A744 Q749 Y750 R763 D804 A805 L829L718-Y746 WeakPolarHBondContact O-CD2 3.37Å; A742-Y746 VanDerWaalsContact O-CB 3.32Å; A742-Y746 WeakPolarHBondContact O-CB 3.42Å; A742-Y746 PolarHBondContact O-N 3.44Å; S743-Y746 WeakPolarHBondContact O-CB 3.45Å; S743-Y746 PolarHBondContact O-N 3.42Å; A744-Y746 VanDerWaalsContact C-N 3.27Å; A744-Y746 PolarHBondContact O-N 2.68Å; Y746-Q749 VanDerWaalsContact CD2-NE2 3.25Å; Y746-Q749 VanDerWaalsContact O-CG 3.3Å; Y746-Q749 WeakPolarHBondContact O-CG 3.35Å; Y746-Q749 PolarHBondContact O-NE2 3.21Å; Y746-Y750 HydrophobicContact CD2-CD2 4.38Å; Y746-Y750 AromaticContact CD2-CE2 3.87Å; Y746-Y750 HydrophobicContact CD2-CE2 3.87Å; Y746-Y750 HydrophobicContact CE1-CD2 4.44Å; Y746-Y750 HydrophobicContact CE2-CD2 4.07Å; Y746-Y750 AromaticContact CE2-CE2 3.42Å; Y746-Y750 HydrophobicContact CE2-CE2 3.42Å; Y746-Y750 VanDerWaalsContact CE2-CE2 3.42Å; Y746-Y750 AromaticContact CZ-CE2 3.79Å; Y746-Y750 VanDerWaalsContact O-CD2 3.25Å; Y746-Y750 WeakPolarHBondContact O-CD2 3.31Å; Y746-R763 HydrophobicContact CE1-CB 3.97Å; Y746-D804 VanDerWaalsContact OH-CB 3.25Å; Y746-D804 WeakPolarHBondContact OH-CB 3.2Å; Y746-A805 HydrophobicContact CD1-CB 4.34Å; Y746-A805 HydrophobicContact CE1-CB 3.73Å; Y746-A805 HydrophobicContact CE2-CB 3.98Å; Y746-L829 HydrophobicContact CD2-CD2 3.58Å; Y746-L829 HydrophobicContact CE2-CD2 3.59Å
747L94.4Very high88.1Confident2 Ų242 Ų421%0.0126%0.258CS..Hα-helixtrans-71.4-42177.6-66.1176.9000111.3S743 A744 Q749 Y750 G751 F752 P761 L765 I776 P777 A779S743-L747 WeakPolarHBondContact O-CG 3.38Å; S743-L747 PolarHBondContact O-N 2.87Å; A744-L747 PolarHBondContact O-N 2.82Å; L747-Q749 PolarHBondContact O-N 3.21Å; L747-Y750 PolarHBondContact O-N 3.31Å; L747-G751 PolarHBondContact O-N 3.06Å; L747-F752 HydrophobicContact CB-CZ 3.91Å; L747-P761 HydrophobicContact CD2-CB 3.77Å; L747-P761 HydrophobicContact CD2-CG 4.27Å; L747-L765 HydrophobicContact CD1-CD2 4.31Å; L747-L765 HydrophobicContact CD2-CB 3.78Å; L747-L765 HydrophobicContact CG-CB 4.39Å; L747-L765 HydrophobicContact CG-CD2 4.35Å; L747-I776 HydrophobicContact CD1-CG2 4.2Å; L747-P777 VanDerWaalsContact CD1-O 3.24Å; L747-P777 WeakPolarHBondContact CD1-O 3.45Å; L747-A779 HydrophobicContact CD1-CB 4.4Å
748E92.5Very high86.8Confident126 Ų12642.2 Ų42.259%0.58926%0.258SS*.Hα-helixtrans-58.4-46.5178.1-174.3-174.8-166.300112.6A744 Y750 G751A744-E748 WeakPolarHBondContact O-CB 3.06Å; A744-E748 PolarHBondContact O-N 2.82Å; E748-Y750 PolarHBondContact O-N 2.74Å; E748-G751 PolarHBondContact O-N 2.96Å
749Q92.6Very high85.9Confident62 Ų6247.2 Ų47.229%0.2928%0.284SS..Hα-helixtrans-62-28.7-175.279.6-171.1-33.700113.5L718 A745 Y746 L747L718-Q749 PolarHBondContact O-NE2 3.38Å; A745-Q749 WeakPolarHBondContact O-CB 3.36Å; A745-Q749 PolarHBondContact O-N 3.41Å; Y746-Q749 VanDerWaalsContact CD2-NE2 3.25Å; Y746-Q749 VanDerWaalsContact O-CG 3.3Å; Y746-Q749 WeakPolarHBondContact O-CG 3.35Å; Y746-Q749 PolarHBondContact O-NE2 3.21Å; L747-Q749 PolarHBondContact O-N 3.21Å
750Y92.1Very high85.3Confident66 Ų6651.4 Ų51.426%0.25931%0.306SS..Hα-helixtrans-92.8-8.6179.1-70-70.9000112.9Q719 Y746 L747 E748 R762 R763Q719-Y750 PolarHBondContact O-OH 2.89Å; Y746-Y750 HydrophobicContact CD2-CD2 4.38Å; Y746-Y750 AromaticContact CD2-CE2 3.87Å; Y746-Y750 HydrophobicContact CD2-CE2 3.87Å; Y746-Y750 HydrophobicContact CE1-CD2 4.44Å; Y746-Y750 HydrophobicContact CE2-CD2 4.07Å; Y746-Y750 AromaticContact CE2-CE2 3.42Å; Y746-Y750 HydrophobicContact CE2-CE2 3.42Å; Y746-Y750 VanDerWaalsContact CE2-CE2 3.42Å; Y746-Y750 AromaticContact CZ-CE2 3.79Å; Y746-Y750 VanDerWaalsContact O-CD2 3.25Å; Y746-Y750 WeakPolarHBondContact O-CD2 3.31Å; L747-Y750 PolarHBondContact O-N 3.31Å; E748-Y750 PolarHBondContact O-N 2.74Å; Y750-R762 VanDerWaalsContact O-CD 3.32Å; Y750-R762 WeakPolarHBondContact O-CD 3.3Å; Y750-R763 HydrophobicContact CD1-CG 4.09Å; Y750-R763 HydrophobicContact CD2-CB 4.37Å; Y750-R763 HydrophobicContact CD2-CG 3.64Å; Y750-R763 HydrophobicContact CE2-CG 4.31Å; Y750-R763 HydrophobicContact CG-CG 3.53Å
751G90.7Very high85.2Confident24 Ų2451.7 Ų51.725%0.24731%0.309CS..  trans80.4170.1177.200000114.4L747 E748 R762L747-G751 PolarHBondContact O-N 3.06Å; E748-G751 PolarHBondContact O-N 2.96Å; G751-R762 WeakPolarHBondContact O-CB 3.37Å; G751-R762 WeakPolarHBondContact O-CG 3.47Å; G751-R762 PolarHBondContact O-N 3.25Å
752F89.6Confident85.1Confident65 Ų6559.1 Ų59.129%0.28534%0.337SS..EExtended strand (participates in β ladder)trans-117.3147.4179.6-65.6-100.8000109.9L747 L759 L760 P761L747-F752 HydrophobicContact CB-CZ 3.91Å; F752-L759 HydrophobicContact CB-CB 4.03Å; F752-L759 HydrophobicContact CB-CD2 4.21Å; F752-L759 HydrophobicContact CD1-CB 3.97Å; F752-L759 HydrophobicContact CG-CB 4.14Å; F752-L760 CarbonylContact C-O 3.55Å; F752-L760 VanDerWaalsContact CA-O 3.23Å; F752-L760 WeakPolarHBondContact CA-O 3.4Å; F752-P761 HydrophobicContact CD1-CB 4.06Å; F752-P761 HydrophobicContact CE1-CB 3.88Å; F752-P761 HydrophobicContact CE1-CG 4.5Å
753N81.9Confident85Confident73 Ų7363.7 Ų63.739%0.3935%0.353SS..EExtended strand (participates in β ladder)trans-79.3121.3162.2-63.7-34.1000107.4L760 R762N753-L760 PolarHBondContact N-O 2.89Å; N753-L760 PolarHBondContact O-N 3.37Å; N753-R762 WeakPolarHBondContact OD1-CG 3.34Å; N753-R762 PolarHBondContact OD1-NE 3.47Å; N753-R762 VanDerWaalsContact OD1-NE 3.07Å
754D78.9Confident84.9Confident111 Ų11168.7 Ų68.759%0.59437%0.372SS*.EExtended strand (participates in β ladder)trans-91109.4170.9-176.2-4.4000108.2G757 L759D754-G757 PolarHBondContact OD1-N 2.8Å; D754-L759 HydrophobicContact CB-CD2 4.11Å
755T64.3Low85.1Confident97 Ų9767.3 Ų67.360%0.59536%0.36SS*.EExtended strand (participates in β ladder)trans-123.588.8176.2-52.80000108.7I758T755-I758 PolarHBondContact N-O 3.13Å; T755-I758 PolarHBondContact O-N 2.78Å
756G58.6Low85.1Confident73 Ų7367.7 Ų67.775%0.75336%0.361SS*.THydrogen-bonded Turntrans6934.5178.600000113.7I758G756-I758 VanDerWaalsContact C-N 3.34Å
757G66.1Low85.1Confident62 Ų6267.5 Ų67.564%0.63936%0.36SS*.THydrogen-bonded Turntrans88.1-6.2-179.300000114.7D754D754-G757 PolarHBondContact OD1-N 2.8Å
758I65.3Low85.1Confident47 Ų4767.4 Ų67.424%0.24136%0.359CS..EExtended strand (participates in β ladder)trans-85.6115.9168.6-54179.7000108.6T555 D557 T755 G756 L760T555-I758 HydrophobicContact CG2-CD1 3.7Å; T555-I758 HydrophobicContact CG2-CG1 4.04Å; D557-I758 WeakPolarHBondContact OD1-CD1 3.35Å; T755-I758 PolarHBondContact N-O 3.13Å; T755-I758 PolarHBondContact O-N 2.78Å; G756-I758 VanDerWaalsContact C-N 3.34Å; I758-L760 HydrophobicContact CG2-CD2 3.9Å; I758-L760 HydrophobicContact CG2-CG 3.84Å; I758-L760 PolarHBondContact O-N 3.08Å
759L76.2Confident85.1Confident108 Ų10862 Ų6257%0.56533%0.334SS*.EExtended strand (participates in β ladder)trans-87.8100.7173.1-61.6176.6000109.6F752 D754F752-L759 HydrophobicContact CB-CB 4.03Å; F752-L759 HydrophobicContact CB-CD2 4.21Å; F752-L759 HydrophobicContact CD1-CB 3.97Å; F752-L759 HydrophobicContact CG-CB 4.14Å; D754-L759 HydrophobicContact CB-CD2 4.11Å
760L82.7Confident84.8Confident100 Ų10060.2 Ų60.252%0.52433%0.329SS..EExtended strand (participates in β ladder)trans-101.3133.4173.4-66178.6000110.5F752 N753 I758F752-L760 CarbonylContact C-O 3.55Å; F752-L760 VanDerWaalsContact CA-O 3.23Å; F752-L760 WeakPolarHBondContact CA-O 3.4Å; N753-L760 PolarHBondContact N-O 2.89Å; N753-L760 PolarHBondContact O-N 3.37Å; I758-L760 HydrophobicContact CG2-CD2 3.9Å; I758-L760 HydrophobicContact CG2-CG 3.84Å; I758-L760 PolarHBondContact O-N 3.08Å
761P91.1Very high84.1Confident19 Ų1958.6 Ų58.612%0.12333%0.326CS..EExtended strand (participates in β ladder)trans-68.5149-175.628-35000112.2L747 F752 R763 G778L747-P761 HydrophobicContact CD2-CB 3.77Å; L747-P761 HydrophobicContact CD2-CG 4.27Å; F752-P761 HydrophobicContact CD1-CB 4.06Å; F752-P761 HydrophobicContact CE1-CB 3.88Å; F752-P761 HydrophobicContact CE1-CG 4.5Å; P761-R763 VanDerWaalsContact C-N 3.28Å; P761-G778 WeakPolarHBondContact CG-O 3.48Å
762R92.9Very high83.8Confident161 Ų16158.4 Ų58.461%0.60832%0.321SS*.SBendtrans-78.5-10.4175.3-71.7-178.7168.9-161.33.3114.3Y750 G751 N753Y750-R762 VanDerWaalsContact O-CD 3.32Å; Y750-R762 WeakPolarHBondContact O-CD 3.3Å; G751-R762 WeakPolarHBondContact O-CB 3.37Å; G751-R762 WeakPolarHBondContact O-CG 3.47Å; G751-R762 PolarHBondContact O-N 3.25Å; N753-R762 WeakPolarHBondContact OD1-CG 3.34Å; N753-R762 PolarHBondContact OD1-NE 3.47Å; N753-R762 VanDerWaalsContact OD1-NE 3.07Å
763R94.2Very high83.4Confident101 Ų10157 Ų5738%0.38131%0.314SS..SBendtrans-125.5145.4176.4-69.4-72.2-173.4173.91.1110.1Y746 Y750 P761 D804Y746-R763 HydrophobicContact CE1-CB 3.97Å; Y750-R763 HydrophobicContact CD1-CG 4.09Å; Y750-R763 HydrophobicContact CD2-CB 4.37Å; Y750-R763 HydrophobicContact CD2-CG 3.64Å; Y750-R763 HydrophobicContact CE2-CG 4.31Å; Y750-R763 HydrophobicContact CG-CG 3.53Å; P761-R763 VanDerWaalsContact C-N 3.28Å; R763-D804 VanDerWaalsContact CA-OD2 3.25Å; R763-D804 WeakPolarHBondContact CA-OD2 3.5Å; R763-D804 HydrophobicContact CB-CB 4.22Å; R763-D804 VanDerWaalsContact CD-OD1 3.29Å; R763-D804 WeakPolarHBondContact CD-OD1 3.32Å; R763-D804 VanDerWaalsContact CD-OD2 3.3Å; R763-D804 WeakPolarHBondContact CD-OD2 3.34Å; R763-D804 IonicContact CZ-OD1 3.47Å; R763-D804 IonicContact NE-OD1 3.66Å; R763-D804 IonicContact NH1-OD1 3.45Å; R763-D804 PolarHBondContact NH1-OD1 3.05Å
764R94.8Very high83.5Confident105 Ų10553.5 Ų53.540%0.39630%0.296SS..  trans-89.2105.9178.1-174.563.962.8-160.60.2110.2D804 A805R764-D804 PolarHBondContact N-OD2 3.01Å; R764-D804 PolarHBondContact O-N 2.82Å; R764-A805 PolarHBondContact O-N 2.76Å; R764-A805 VanDerWaalsContact O-N 3.16Å
765L96.3Very high83.8Confident0 Ų055.7 Ų55.70%030%0.296CS..EExtended strand (participates in β ladder)trans-93.2122.1164.6177.563.9000109.8S743 L747 T767 I776 A779 I780 A805 L807S743-L765 VanDerWaalsContact CB-CD2 3.43Å; L747-L765 HydrophobicContact CD1-CD2 4.31Å; L747-L765 HydrophobicContact CD2-CB 3.78Å; L747-L765 HydrophobicContact CG-CB 4.39Å; L747-L765 HydrophobicContact CG-CD2 4.35Å; L765-T767 HydrophobicContact CD2-CG2 4.41Å; L765-T767 HydrophobicContact CG-CG2 4.2Å; L765-I776 HydrophobicContact CD2-CG2 4.47Å; L765-A779 HydrophobicContact CB-CB 4.31Å; L765-A779 HydrophobicContact CD2-CB 3.91Å; L765-A779 HydrophobicContact CG-CB 4.13Å; L765-I780 PolarHBondContact O-N 3.25Å; L765-A805 HydrophobicContact CD1-CB 3.76Å; L765-L807 HydrophobicContact CD1-CB 4.46Å
766F95.9Very high84.9Confident16 Ų1651.1 Ų51.17%0.0727%0.268CS..EExtended strand (participates in β ladder)trans-109.4126.6174.3-161.8-88.3000109.7I768 I780 T782 A798 L801 P803 A805 I806 L807F766-I768 HydrophobicContact CD1-CD1 4.46Å; F766-I768 HydrophobicContact CD1-CG1 3.97Å; F766-I768 HydrophobicContact CE1-CG1 3.94Å; F766-I780 HydrophobicContact CD2-CB 3.97Å; F766-I780 HydrophobicContact CD2-CG2 3.88Å; F766-I780 HydrophobicContact CE2-CB 4.31Å; F766-I780 HydrophobicContact CE2-CG2 3.69Å; F766-T782 WeakPolarHBondContact CE1-OG1 3.2Å; F766-T782 WeakPolarHBondContact CZ-OG1 3.23Å; F766-A798 HydrophobicContact CD1-CB 3.64Å; F766-A798 HydrophobicContact CE1-CB 3.88Å; F766-A798 HydrophobicContact CG-CB 4.26Å; F766-L801 HydrophobicContact CD2-CD1 4.18Å; F766-L801 HydrophobicContact CE2-CD1 3.43Å; F766-L801 VanDerWaalsContact CE2-CD1 3.43Å; F766-L801 HydrophobicContact CZ-CD1 3.65Å; F766-P803 HydrophobicContact CB-CB 4.1Å; F766-A805 PolarHBondContact N-O 2.91Å; F766-I806 CarbonylContact O-C 3.58Å; F766-I806 VanDerWaalsContact O-CA 3.29Å; F766-I806 WeakPolarHBondContact O-CA 3.2Å; F766-L807 PolarHBondContact O-N 3.2Å
767T96.3Very high86.2Confident0 Ų050.5 Ų50.50%025%0.25CS..EExtended strand (participates in β ladder)trans-113142.5178.389.30000111.5L765 E769 I776 A779 I780 Q781 T782 L807L765-T767 HydrophobicContact CD2-CG2 4.41Å; L765-T767 HydrophobicContact CG-CG2 4.2Å; T767-E769 WeakPolarHBondContact CB-OE1 3.32Å; T767-E769 PolarHBondContact OG1-OE1 3.02Å; T767-I776 HydrophobicContact CG2-CD1 4.08Å; T767-A779 HydrophobicContact CG2-CB 4.17Å; T767-I780 PolarHBondContact N-O 3.28Å; T767-Q781 HydrophobicContact CG2-CG 4.08Å; T767-Q781 WeakPolarHBondContact OG1-CA 3.47Å; T767-Q781 WeakPolarHBondContact OG1-CB 3.39Å; T767-Q781 VanDerWaalsContact OG1-CG 3.31Å; T767-Q781 WeakPolarHBondContact OG1-CG 3.19Å; T767-T782 WeakPolarHBondContact O-CA 3.33Å; T767-T782 VanDerWaalsContact O-CB 3.29Å; T767-T782 WeakPolarHBondContact O-CB 3.39Å; T767-T782 PolarHBondContact O-N 3.15Å; T767-L807 CarbonylContact C-O 3.56Å; T767-L807 VanDerWaalsContact CA-O 3.3Å; T767-L807 WeakPolarHBondContact CA-O 3.1Å; T767-L807 HydrophobicContact CG2-CB 3.94Å; T767-L807 HydrophobicContact CG2-CD1 4.5Å
768I94.8Very high87.1Confident0 Ų048.9 Ų48.90%023%0.234CC..EExtended strand (participates in β ladder)trans-125.2109.5179.9-60.3173.7000105F766 V784 W791 V795 A798 I806 L807 G809F766-I768 HydrophobicContact CD1-CD1 4.46Å; F766-I768 HydrophobicContact CD1-CG1 3.97Å; F766-I768 HydrophobicContact CE1-CG1 3.94Å; I768-V784 HydrophobicContact CG2-CB 4.43Å; I768-V784 HydrophobicContact CG2-CG1 3.35Å; I768-V784 HydrophobicContact CG2-CG2 4.24Å; I768-W791 HydrophobicContact CG2-CE3 3.74Å; I768-W791 HydrophobicContact CG2-CZ3 3.8Å; I768-W791 WeakPolarHBondContact O-CZ3 3.38Å; I768-V795 HydrophobicContact CD1-CB 4.23Å; I768-V795 HydrophobicContact CD1-CG2 3.64Å; I768-A798 HydrophobicContact CD1-CB 4.18Å; I768-I806 HydrophobicContact CD1-CG2 4.16Å; I768-L807 PolarHBondContact N-O 3.45Å; I768-G809 PolarHBondContact O-N 2.96Å
769E92.3Very high88.4Confident13 Ų1347.5 Ų47.56%0.06123%0.23CC..EExtended strand (participates in β ladder)trans-139.6156.5-169.3-62.8178.4-110.200111T767 P772 E773 Q781 T782 A783 V784 L807T767-E769 WeakPolarHBondContact CB-OE1 3.32Å; T767-E769 PolarHBondContact OG1-OE1 3.02Å; E769-P772 HydrophobicContact CB-CB 4.44Å; E769-P772 HydrophobicContact CB-CG 4.13Å; E769-P772 WeakPolarHBondContact OE2-CA 3.39Å; E769-E773 PolarHBondContact OE2-N 2.87Å; E769-Q781 PolarHBondContact OE1-NE2 2.76Å; E769-T782 PolarHBondContact N-O 2.76Å; E769-A783 CarbonylContact O-C 3.51Å; E769-A783 VanDerWaalsContact O-CA 3.28Å; E769-A783 WeakPolarHBondContact O-CA 3.39Å; E769-V784 PolarHBondContact O-N 2.86Å; E769-L807 HydrophobicContact CG-CD2 4.07Å
770S84.9Confident89.3Confident24 Ų2445.8 Ų45.817%0.16822%0.22CC..SBendtrans-136.194.1-179.7-172.30000113.8R674 V784 D786R674-S770 VanDerWaalsContact CZ-O 3.31Å; R674-S770 PolarHBondContact NH1-O 2.83Å; R674-S770 VanDerWaalsContact NH2-C 3.27Å; R674-S770 PolarHBondContact NH2-O 3.08Å; S770-V784 PolarHBondContact OG-O 3.48Å; S770-D786 WeakPolarHBondContact OG-CB 3.39Å
771P78.3Confident89.8Confident31 Ų3143.4 Ų43.420%0.20121%0.206CC..SBendcis-67.9175.5-35.626.6-41000114.2R674R674-P771 VanDerWaalsContact NH2-N 3.16Å; R674-P771 PolarHBondContact NH2-O 3.24Å
772P84.2Confident89.7Confident21 Ų2144.6 Ų44.614%0.13621%0.213CC..  trans-54.1136.2167.2-26.234.5000113.7E769 A783E769-P772 HydrophobicContact CB-CB 4.44Å; E769-P772 HydrophobicContact CB-CG 4.13Å; E769-P772 WeakPolarHBondContact OE2-CA 3.39Å; P772-A783 HydrophobicContact CG-CB 4.44Å
773E80.7Confident89.5Confident34 Ų3440 Ų4016%0.15921%0.21CC..  trans-101.311.3-173.2-69.7-70.415200114.2R674 I691 E769R674-E773 IonicContact CZ-OE1 3.55Å; R674-E773 IonicContact NE-OE1 3.85Å; R674-E773 PolarHBondContact NE-OE1 3.23Å; R674-E773 IonicContact NH2-OE1 3.72Å; R674-E773 PolarHBondContact NH2-OE1 3.35Å; I691-E773 WeakPolarHBondContact CD1-OE2 3.34Å; I691-E773 WeakPolarHBondContact CG1-OE2 3.3Å; I691-E773 WeakPolarHBondContact CG2-O 3.47Å; E769-E773 PolarHBondContact OE2-N 2.87Å
774G83.9Confident89.1Confident0 Ų036 Ų360%020%0.196CC..SBendtrans154.3157.4-178.200000110.6F671 Q781F671-G774 VanDerWaalsContact CE1-N 3.32Å; G774-Q781 PolarHBondContact O-NE2 3.46Å; G774-Q781 PolarHBondContact O-OE1 3.5Å
775R85.2Confident88.2Confident158 Ų15837.8 Ų37.860%0.59621%0.211SC*.  trans-73.8137.5178.3-167179.2179.2-173-0.5110.6F671 S695F671-R775 HydrophobicContact CE2-CB 4.28Å; S695-R775 VanDerWaalsContact OG-CB 3.29Å; S695-R775 WeakPolarHBondContact OG-CB 3.37Å; S695-R775 PolarHBondContact OG-N 3.37Å
776I89.4Confident87.4Confident1 Ų141.1 Ų41.11%0.00523%0.229CC..  trans-111.4102.3166.2-56.9162.5000107.1R740 L747 L765 T767 G778 A779R740-I776 HydrophobicContact CB-CG1 4.31Å; R740-I776 HydrophobicContact CG-CD1 4.05Å; R740-I776 HydrophobicContact CG-CG1 3.96Å; L747-I776 HydrophobicContact CD1-CG2 4.2Å; L765-I776 HydrophobicContact CD2-CG2 4.47Å; T767-I776 HydrophobicContact CG2-CD1 4.08Å; I776-G778 PolarHBondContact O-N 3.02Å; I776-A779 HydrophobicContact CB-CB 3.79Å; I776-A779 HydrophobicContact CG2-CB 3.76Å; I776-A779 WeakPolarHBondContact O-CB 3.33Å; I776-A779 PolarHBondContact O-N 3.36Å
777P83.9Confident86.9Confident59 Ų5943.3 Ų43.338%0.38324%0.244SC..THydrogen-bonded Turntrans-53124.1-179.6-27.935.8000112.2L747L747-P777 VanDerWaalsContact CD1-O 3.24Å; L747-P777 WeakPolarHBondContact CD1-O 3.45Å
778G87Confident86.3Confident28 Ų2845.6 Ų45.629%0.28926%0.263SS..THydrogen-bonded Turntrans91.3-19.9-179.200000115.6P761 I776P761-G778 WeakPolarHBondContact CG-O 3.48Å; I776-G778 PolarHBondContact O-N 3.02Å
779A92.6Very high85.9Confident19 Ų1950.8 Ų50.816%0.15729%0.287CS..  trans-75.9149.9176.100000111.7L747 L765 T767 I776 Q781L747-A779 HydrophobicContact CD1-CB 4.4Å; L765-A779 HydrophobicContact CB-CB 4.31Å; L765-A779 HydrophobicContact CD2-CB 3.91Å; L765-A779 HydrophobicContact CG-CB 4.13Å; T767-A779 HydrophobicContact CG2-CB 4.17Å; I776-A779 HydrophobicContact CB-CB 3.79Å; I776-A779 HydrophobicContact CG2-CB 3.76Å; I776-A779 WeakPolarHBondContact O-CB 3.33Å; I776-A779 PolarHBondContact O-N 3.36Å; A779-Q781 HydrophobicContact CB-CG 4.2Å
780I94.3Very high85.6Confident71 Ų7150.9 Ų50.936%0.36429%0.291SS..EExtended strand (participates in β ladder)trans-92105.5165.9-58.2-172.3000107.4L765 F766 T767L765-I780 PolarHBondContact O-N 3.25Å; F766-I780 HydrophobicContact CD2-CB 3.97Å; F766-I780 HydrophobicContact CD2-CG2 3.88Å; F766-I780 HydrophobicContact CE2-CB 4.31Å; F766-I780 HydrophobicContact CE2-CG2 3.69Å; T767-I780 PolarHBondContact N-O 3.28Å
781Q92.2Very high85.9Confident51 Ų5149.9 Ų49.924%0.23828%0.284CS..EExtended strand (participates in β ladder)trans-98.7125-177.2-58.1-176.9-101.100111.8T767 E769 G774 A779T767-Q781 HydrophobicContact CG2-CG 4.08Å; T767-Q781 WeakPolarHBondContact OG1-CA 3.47Å; T767-Q781 WeakPolarHBondContact OG1-CB 3.39Å; T767-Q781 VanDerWaalsContact OG1-CG 3.31Å; T767-Q781 WeakPolarHBondContact OG1-CG 3.19Å; E769-Q781 PolarHBondContact OE1-NE2 2.76Å; G774-Q781 PolarHBondContact O-NE2 3.46Å; G774-Q781 PolarHBondContact O-OE1 3.5Å; A779-Q781 HydrophobicContact CB-CG 4.2Å
782T89.8Confident86.6Confident44 Ų4448.8 Ų48.827%0.2728%0.276SS..EExtended strand (participates in β ladder)trans-116.4125.7-177.7-54.40000110.3F766 T767 E769F766-T782 WeakPolarHBondContact CE1-OG1 3.2Å; F766-T782 WeakPolarHBondContact CZ-OG1 3.23Å; T767-T782 WeakPolarHBondContact O-CA 3.33Å; T767-T782 VanDerWaalsContact O-CB 3.29Å; T767-T782 WeakPolarHBondContact O-CB 3.39Å; T767-T782 PolarHBondContact O-N 3.15Å; E769-T782 PolarHBondContact N-O 2.76Å
783A88.4Confident86.9Confident64 Ų6450.8 Ų50.853%0.52929%0.286SS..EExtended strand (participates in β ladder)trans-79.9135.3168.800000110E769 P772E769-A783 CarbonylContact O-C 3.51Å; E769-A783 VanDerWaalsContact O-CA 3.28Å; E769-A783 WeakPolarHBondContact O-CA 3.39Å; P772-A783 HydrophobicContact CG-CB 4.44Å
784V86.8Confident87.5Confident17 Ų1750.4 Ų50.410%0.10329%0.287CS..  trans-115.3154.8175.3-570000112I768 E769 S770 W791 S794I768-V784 HydrophobicContact CG2-CB 4.43Å; I768-V784 HydrophobicContact CG2-CG1 3.35Å; I768-V784 HydrophobicContact CG2-CG2 4.24Å; E769-V784 PolarHBondContact O-N 2.86Å; S770-V784 PolarHBondContact OG-O 3.48Å; V784-W791 HydrophobicContact CG2-CD2 3.88Å; V784-W791 HydrophobicContact CG2-CE3 3.91Å; V784-W791 HydrophobicContact CG2-CH2 4.02Å; V784-W791 HydrophobicContact CG2-CZ2 3.98Å; V784-W791 HydrophobicContact CG2-CZ3 3.98Å; V784-S794 WeakPolarHBondContact CG1-OG 3.04Å
785M75.4Confident88Confident142 Ų14250.6 Ų50.670%0.729%0.288SS*.  trans-63.8134.5162.3-72.2-179.554.200109.3T787M785-T787 HydrophobicContact CE-CG2 4.3Å; M785-T787 PolarHBondContact O-N 3.17Å
786D80.2Confident88.3Confident70 Ų7047.7 Ų47.737%0.37428%0.28SS..SBendtrans-77.758.3-179.1-16016.5000112.7S770 W791 R812S770-D786 WeakPolarHBondContact OG-CB 3.39Å; D786-W791 PolarHBondContact OD1-NE1 2.99Å; D786-R812 IonicContact OD1-CZ 3.86Å; D786-R812 IonicContact OD1-NE 3.08Å; D786-R812 IonicContact OD1-NH1 3.85Å; D786-R812 PolarHBondContact OD1-NH1 3Å; D786-R812 IonicContact OD1-NH2 3.71Å; D786-R812 PolarHBondContact OD1-NH2 3.29Å; D786-R812 VanDerWaalsContact OD1-NH2 3.15Å; D786-R812 IonicContact OD2-CZ 2.84Å; D786-R812 VanDerWaalsContact OD2-CZ 3.26Å; D786-R812 IonicContact OD2-NH1 3.73Å; D786-R812 PolarHBondContact OD2-NH1 3.31Å; D786-R812 IonicContact OD2-NH2 2.82Å; D786-R812 PolarHBondContact OD2-NH2 2.91Å
787T84.4Confident88.5Confident63 Ų6350.8 Ų50.839%0.38730%0.302SS..SBendtrans-124.4147.9175.468.80000109.3M785 Q789 G790 W791M785-T787 HydrophobicContact CE-CG2 4.3Å; M785-T787 PolarHBondContact O-N 3.17Å; T787-Q789 PolarHBondContact O-N 2.76Å; T787-G790 PolarHBondContact O-N 3.45Å; T787-G790 PolarHBondContact OG1-N 3.14Å; T787-G790 VanDerWaalsContact OG1-N 3.1Å; T787-W791 PolarHBondContact O-N 2.89Å; T787-W791 VanDerWaalsContact O-N 3.08Å
788A82.7Confident88.9Confident48 Ų4848 Ų4840%0.39728%0.284SS..Hα-helixtrans-49.5-44.717800000112.3W791 V792 D813A788-W791 PolarHBondContact O-N 3.02Å; A788-V792 WeakPolarHBondContact O-CG2 3.36Å; A788-V792 PolarHBondContact O-N 3.39Å; A788-V792 VanDerWaalsContact O-N 3.16Å; A788-D813 WeakPolarHBondContact CB-OD2 3.24Å
789Q86.6Confident89.2Confident108 Ų10849.3 Ų49.351%0.50528%0.284SS..Hα-helixtrans-67.3-39.9178.5-168.360.341.400112.4T787 W791 V792 D793T787-Q789 PolarHBondContact O-N 2.76Å; Q789-W791 VanDerWaalsContact C-N 3.34Å; Q789-W791 PolarHBondContact O-N 3.28Å; Q789-V792 PolarHBondContact O-N 2.8Å; Q789-D793 WeakPolarHBondContact CG-OD2 3.45Å; Q789-D793 PolarHBondContact NE2-OD1 2.86Å; Q789-D793 PolarHBondContact NE2-OD2 2.64Å; Q789-D793 WeakPolarHBondContact O-CB 3.31Å; Q789-D793 PolarHBondContact O-N 3.24Å
790G87.3Confident89.2Confident15 Ų1559 Ų5916%0.15532%0.316CS..Hα-helixtrans-59.9-42.5176.800000112.7T787 S794T787-G790 PolarHBondContact O-N 3.45Å; T787-G790 PolarHBondContact OG1-N 3.14Å; T787-G790 VanDerWaalsContact OG1-N 3.1Å; G790-S794 VanDerWaalsContact O-CB 3.28Å; G790-S794 WeakPolarHBondContact O-CB 3.12Å; G790-S794 PolarHBondContact O-N 2.86Å; G790-S794 VanDerWaalsContact O-N 3.13Å; G790-S794 PolarHBondContact O-OG 3.38Å
791W90.2Very high89.1Confident4 Ų460.1 Ų60.12%0.01532%0.323CS..Hα-helixtrans-61.9-50.2173.7-72108000111.8I768 V784 D786 T787 A788 Q789 S794 V795 E810I768-W791 HydrophobicContact CG2-CE3 3.74Å; I768-W791 HydrophobicContact CG2-CZ3 3.8Å; I768-W791 WeakPolarHBondContact O-CZ3 3.38Å; V784-W791 HydrophobicContact CG2-CD2 3.88Å; V784-W791 HydrophobicContact CG2-CE3 3.91Å; V784-W791 HydrophobicContact CG2-CH2 4.02Å; V784-W791 HydrophobicContact CG2-CZ2 3.98Å; V784-W791 HydrophobicContact CG2-CZ3 3.98Å; D786-W791 PolarHBondContact OD1-NE1 2.99Å; T787-W791 PolarHBondContact O-N 2.89Å; T787-W791 VanDerWaalsContact O-N 3.08Å; A788-W791 PolarHBondContact O-N 3.02Å; Q789-W791 VanDerWaalsContact C-N 3.34Å; Q789-W791 PolarHBondContact O-N 3.28Å; W791-S794 PolarHBondContact O-N 2.75Å; W791-V795 WeakPolarHBondContact O-CG2 3.43Å; W791-V795 PolarHBondContact O-N 3.46Å; W791-V795 VanDerWaalsContact O-N 3.17Å; W791-E810 HydrophobicContact CH2-CG 4.18Å; W791-E810 HydrophobicContact CZ2-CG 3.91Å
792V92.5Very high89.2Confident7 Ų764.5 Ų64.54%0.04235%0.347CS..Hα-helixtrans-60.7-47.8-179.7168.20000112.4A788 Q789 S794 V795 K796 A815 T819A788-V792 WeakPolarHBondContact O-CG2 3.36Å; A788-V792 PolarHBondContact O-N 3.39Å; A788-V792 VanDerWaalsContact O-N 3.16Å; Q789-V792 PolarHBondContact O-N 2.8Å; V792-S794 VanDerWaalsContact C-N 3.31Å; V792-S794 PolarHBondContact O-N 2.77Å; V792-V795 PolarHBondContact O-N 2.9Å; V792-K796 HydrophobicContact CG1-CD 4.23Å; V792-K796 WeakPolarHBondContact O-CG 3.29Å; V792-K796 PolarHBondContact O-N 2.99Å; V792-A815 HydrophobicContact CG2-CB 3.83Å; V792-T819 HydrophobicContact CG1-CG2 4.42Å
793D92.2Very high89.4Confident64 Ų6462.7 Ų62.734%0.34234%0.336SS..Hα-helixtrans-70.6-31-176.7-71.4-22.6000112.4Q789 K796 S797Q789-D793 WeakPolarHBondContact CG-OD2 3.45Å; Q789-D793 PolarHBondContact NE2-OD1 2.86Å; Q789-D793 PolarHBondContact NE2-OD2 2.64Å; Q789-D793 WeakPolarHBondContact O-CB 3.31Å; Q789-D793 PolarHBondContact O-N 3.24Å; D793-K796 PolarHBondContact O-N 2.97Å; D793-K796 IonicContact OD1-NZ 2.96Å; D793-K796 PolarHBondContact OD1-NZ 3.26Å; D793-S797 VanDerWaalsContact O-CB 3.3Å; D793-S797 WeakPolarHBondContact O-CB 3.27Å; D793-S797 PolarHBondContact O-N 3.33Å; D793-S797 PolarHBondContact O-OG 2.91Å
794S92.9Very high89.8Confident26 Ų2661.7 Ų61.718%0.18232%0.322CS..Hα-helixtrans-66.9-42174.4-59.70000111.5V784 G790 W791 V792 S797 A798V784-S794 WeakPolarHBondContact CG1-OG 3.04Å; G790-S794 VanDerWaalsContact O-CB 3.28Å; G790-S794 WeakPolarHBondContact O-CB 3.12Å; G790-S794 PolarHBondContact O-N 2.86Å; G790-S794 VanDerWaalsContact O-N 3.13Å; G790-S794 PolarHBondContact O-OG 3.38Å; W791-S794 PolarHBondContact O-N 2.75Å; V792-S794 VanDerWaalsContact C-N 3.31Å; V792-S794 PolarHBondContact O-N 2.77Å; S794-S797 PolarHBondContact O-N 3.41Å; S794-A798 WeakPolarHBondContact O-CB 3.28Å; S794-A798 PolarHBondContact O-N 2.78Å
795V93.6Very high90.3Very high3 Ų360.9 Ų60.92%0.01832%0.317CS..Hα-helixtrans-65.9-44.2175.1178.70000110.9I768 W791 V792 S797 A798 L799 T819 A823 M830I768-V795 HydrophobicContact CD1-CB 4.23Å; I768-V795 HydrophobicContact CD1-CG2 3.64Å; W791-V795 WeakPolarHBondContact O-CG2 3.43Å; W791-V795 PolarHBondContact O-N 3.46Å; W791-V795 VanDerWaalsContact O-N 3.17Å; V792-V795 PolarHBondContact O-N 2.9Å; V795-S797 VanDerWaalsContact C-N 3.26Å; V795-S797 PolarHBondContact O-N 3.15Å; V795-A798 WeakPolarHBondContact O-CB 3.5Å; V795-A798 PolarHBondContact O-N 2.94Å; V795-L799 WeakPolarHBondContact O-CG 3.41Å; V795-L799 PolarHBondContact O-N 3.36Å; V795-L799 VanDerWaalsContact O-N 3.09Å; V795-T819 HydrophobicContact CB-CG2 3.7Å; V795-T819 HydrophobicContact CG1-CG2 3.64Å; V795-A823 HydrophobicContact CG1-CB 4Å; V795-M830 HydrophobicContact CG2-CE 4.47Å
796K92.7Very high91.4Very high97 Ų9754.1 Ų54.142%0.42228%0.284SS..Hα-helixtrans-59.3-38.1175.5-73.1175.2-172.8161.40112.6V792 D793 T819V792-K796 HydrophobicContact CG1-CD 4.23Å; V792-K796 WeakPolarHBondContact O-CG 3.29Å; V792-K796 PolarHBondContact O-N 2.99Å; D793-K796 PolarHBondContact O-N 2.97Å; D793-K796 IonicContact OD1-NZ 2.96Å; D793-K796 PolarHBondContact OD1-NZ 3.26Å; K796-T819 HydrophobicContact CG-CG2 4.3Å
797S92.6Very high92.2Very high67 Ų6751 Ų5147%0.46927%0.267SS..Hα-helixtrans-69.4-45.2177.1-60.10000110.5D793 S794 V795 L799 R800 L801D793-S797 VanDerWaalsContact O-CB 3.3Å; D793-S797 WeakPolarHBondContact O-CB 3.27Å; D793-S797 PolarHBondContact O-N 3.33Å; D793-S797 PolarHBondContact O-OG 2.91Å; S794-S797 PolarHBondContact O-N 3.41Å; V795-S797 VanDerWaalsContact C-N 3.26Å; V795-S797 PolarHBondContact O-N 3.15Å; S797-L799 VanDerWaalsContact C-N 3.27Å; S797-L799 PolarHBondContact O-N 2.89Å; S797-R800 PolarHBondContact O-N 3.49Å; S797-L801 WeakPolarHBondContact O-CG 3.24Å
798A93.1Very high92.7Very high0 Ų048.1 Ų48.10%025%0.25CC..Hα-helixtrans-53.9-42.2176.400000112.1F766 I768 S794 V795 R800 L801 P803 I806F766-A798 HydrophobicContact CD1-CB 3.64Å; F766-A798 HydrophobicContact CE1-CB 3.88Å; F766-A798 HydrophobicContact CG-CB 4.26Å; I768-A798 HydrophobicContact CD1-CB 4.18Å; S794-A798 WeakPolarHBondContact O-CB 3.28Å; S794-A798 PolarHBondContact O-N 2.78Å; V795-A798 WeakPolarHBondContact O-CB 3.5Å; V795-A798 PolarHBondContact O-N 2.94Å; A798-R800 PolarHBondContact O-N 3.1Å; A798-L801 WeakPolarHBondContact O-CB 3.27Å; A798-L801 PolarHBondContact O-N 2.77Å; A798-P803 WeakPolarHBondContact O-CD 3.42Å; A798-P803 VanDerWaalsContact O-CG 3.27Å; A798-P803 WeakPolarHBondContact O-CG 3.35Å; A798-I806 HydrophobicContact CB-CD1 4.13Å
799L92.8Very high93.1Very high55 Ų5546.7 Ų46.729%0.28824%0.239SC..THydrogen-bonded Turntrans-60.4-12.2177.3-68.4173.2000115.1V795 S797 I806 A823 H828V795-L799 WeakPolarHBondContact O-CG 3.41Å; V795-L799 PolarHBondContact O-N 3.36Å; V795-L799 VanDerWaalsContact O-N 3.09Å; S797-L799 VanDerWaalsContact C-N 3.27Å; S797-L799 PolarHBondContact O-N 2.89Å; L799-I806 HydrophobicContact CD2-CD1 4.01Å; L799-A823 HydrophobicContact CD1-CB 4.28Å; L799-A823 HydrophobicContact CD2-CB 3.87Å; L799-A823 HydrophobicContact CG-CB 4.41Å; L799-H828 VanDerWaalsContact CD2-CE1 3.45Å; L799-H828 WeakPolarHBondContact CD2-CE1 3.43Å
800R92.2Very high93.3Very high222 Ų22243 Ų4384%0.83822%0.222SC*.THydrogen-bonded Turntrans-103.93.2176.2-60.2178.4179.81720113.1S797 A798S797-R800 PolarHBondContact O-N 3.49Å; A798-R800 PolarHBondContact O-N 3.1Å
801L93.1Very high93.6Very high96 Ų9642.8 Ų42.850%0.50322%0.217SC..SBendtrans-106.215.4-176.1-60176.6000113.1F766 S797 A798 P803F766-L801 HydrophobicContact CD2-CD1 4.18Å; F766-L801 HydrophobicContact CE2-CD1 3.43Å; F766-L801 VanDerWaalsContact CE2-CD1 3.43Å; F766-L801 HydrophobicContact CZ-CD1 3.65Å; S797-L801 WeakPolarHBondContact O-CG 3.24Å; A798-L801 WeakPolarHBondContact O-CB 3.27Å; A798-L801 PolarHBondContact O-N 2.77Å; L801-P803 VanDerWaalsContact C-CD 3.49Å
802D93.2Very high93.4Very high142 Ų14247.6 Ų47.676%0.75924%0.236SC*.  trans52.450.5-177.1-165.540.1000113.8
803P95Very high93.2Very high6 Ų649 Ų494%0.03924%0.243CC..  trans-75.8147.9174.333.2-33.3000110.5F766 A798 L801 I806 H828F766-P803 HydrophobicContact CB-CB 4.1Å; A798-P803 WeakPolarHBondContact O-CD 3.42Å; A798-P803 VanDerWaalsContact O-CG 3.27Å; A798-P803 WeakPolarHBondContact O-CG 3.35Å; L801-P803 VanDerWaalsContact C-CD 3.49Å; P803-I806 HydrophobicContact CB-CG1 4.02Å; P803-I806 HydrophobicContact CG-CD1 3.99Å; P803-I806 HydrophobicContact CG-CG1 3.97Å; P803-H828 PolarHBondContact O-CD2 3.49Å; P803-H828 PolarHBondContact O-NE2 3.36Å
804D96.4Very high93.3Very high43 Ų4350 Ų5023%0.2325%0.245CC..SBendtrans-91.6-34.7166-65.3-83.7000111Y746 R763 R764 L829Y746-D804 VanDerWaalsContact OH-CB 3.25Å; Y746-D804 WeakPolarHBondContact OH-CB 3.2Å; R763-D804 VanDerWaalsContact CA-OD2 3.25Å; R763-D804 WeakPolarHBondContact CA-OD2 3.5Å; R763-D804 HydrophobicContact CB-CB 4.22Å; R763-D804 VanDerWaalsContact CD-OD1 3.29Å; R763-D804 WeakPolarHBondContact CD-OD1 3.32Å; R763-D804 VanDerWaalsContact CD-OD2 3.3Å; R763-D804 WeakPolarHBondContact CD-OD2 3.34Å; R763-D804 IonicContact CZ-OD1 3.47Å; R763-D804 IonicContact NE-OD1 3.66Å; R763-D804 IonicContact NH1-OD1 3.45Å; R763-D804 PolarHBondContact NH1-OD1 3.05Å; R764-D804 PolarHBondContact N-OD2 3.01Å; R764-D804 PolarHBondContact O-N 2.82Å; D804-L829 PolarHBondContact O-N 3.41Å
805A97.3Very high93.2Very high0 Ų051 Ų510%026%0.256CS..EExtended strand (participates in β ladder)trans-137.3145.7176.700000110.7Y746 R764 L765 F766 L829Y746-A805 HydrophobicContact CD1-CB 4.34Å; Y746-A805 HydrophobicContact CE1-CB 3.73Å; Y746-A805 HydrophobicContact CE2-CB 3.98Å; R764-A805 PolarHBondContact O-N 2.76Å; R764-A805 VanDerWaalsContact O-N 3.16Å; L765-A805 HydrophobicContact CD1-CB 3.76Å; F766-A805 PolarHBondContact N-O 2.91Å; A805-L829 CarbonylContact C-O 3.46Å; A805-L829 VanDerWaalsContact CA-O 3.23Å; A805-L829 WeakPolarHBondContact CA-O 3.06Å; A805-L829 HydrophobicContact CB-CB 3.99Å; A805-L829 HydrophobicContact CB-CD2 4.35Å; A805-L829 HydrophobicContact CB-CG 4.49Å
806I97.4Very high93.1Very high0 Ų051.1 Ų51.10%026%0.256CS..EExtended strand (participates in β ladder)trans-121.6123.2177.2-59.2172.9000108.2F766 I768 A798 L799 P803 A823 L829 M830 L831F766-I806 CarbonylContact O-C 3.58Å; F766-I806 VanDerWaalsContact O-CA 3.29Å; F766-I806 WeakPolarHBondContact O-CA 3.2Å; I768-I806 HydrophobicContact CD1-CG2 4.16Å; A798-I806 HydrophobicContact CB-CD1 4.13Å; L799-I806 HydrophobicContact CD2-CD1 4.01Å; P803-I806 HydrophobicContact CB-CG1 4.02Å; P803-I806 HydrophobicContact CG-CD1 3.99Å; P803-I806 HydrophobicContact CG-CG1 3.97Å; I806-A823 HydrophobicContact CD1-CB 4.35Å; I806-L829 PolarHBondContact N-O 3.26Å; I806-M830 HydrophobicContact CB-SD 3.73Å; I806-M830 HydrophobicContact CG2-CE 4.32Å; I806-M830 HydrophobicContact CG2-SD 3.7Å; I806-M830 CarbonylContact O-C 3.49Å; I806-M830 WeakPolarHBondContact O-CA 3.09Å; I806-L831 PolarHBondContact O-N 2.91Å
807L97.1Very high93.2Very high5 Ų546.5 Ų46.53%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-96114.9163.6-176.3162.1000108L739 S743 L765 F766 T767 I768 E769 L831L739-L807 HydrophobicContact CB-CD1 3.94Å; L739-L807 HydrophobicContact CD1-CD1 4.44Å; L739-L807 HydrophobicContact CD1-CG 4.39Å; S743-L807 VanDerWaalsContact OG-CD1 3.24Å; S743-L807 WeakPolarHBondContact OG-CD1 3.32Å; L765-L807 HydrophobicContact CD1-CB 4.46Å; F766-L807 PolarHBondContact O-N 3.2Å; T767-L807 CarbonylContact C-O 3.56Å; T767-L807 VanDerWaalsContact CA-O 3.3Å; T767-L807 WeakPolarHBondContact CA-O 3.1Å; T767-L807 HydrophobicContact CG2-CB 3.94Å; T767-L807 HydrophobicContact CG2-CD1 4.5Å; I768-L807 PolarHBondContact N-O 3.45Å; E769-L807 HydrophobicContact CG-CD2 4.07Å; L807-L831 CarbonylContact C-O 3.42Å; L807-L831 WeakPolarHBondContact CA-O 3.27Å; L807-L831 HydrophobicContact CB-CB 4.41Å; L807-L831 HydrophobicContact CG-CB 4.39Å
808N95.2Very high93.3Very high2 Ų244.8 Ų44.81%0.01122%0.221CC..EExtended strand (participates in β ladder)trans-105.5120.8172.2-177.454.2000109.2E810 M830 L831 T832N808-E810 PolarHBondContact ND2-O 3.44Å; N808-E810 PolarHBondContact O-N 3.25Å; N808-E810 VanDerWaalsContact O-N 3.09Å; N808-M830 HydrophobicContact CB-CE 3.22Å; N808-M830 HydrophobicContact CB-SD 4.2Å; N808-L831 PolarHBondContact N-O 2.78Å; N808-T832 WeakPolarHBondContact O-CA 3.42Å; N808-T832 WeakPolarHBondContact O-CB 3.45Å; N808-T832 PolarHBondContact O-OG1 3.36Å; N808-T832 VanDerWaalsContact O-OG1 3.1Å
809G92.4Very high93.3Very high18 Ų1845.5 Ų45.519%0.18623%0.226CC..SBendtrans-50.5-42.6-170.700000113.2I768 T833I768-G809 PolarHBondContact O-N 2.96Å; G809-T833 WeakPolarHBondContact O-CB 3.46Å; G809-T833 WeakPolarHBondContact O-CG2 3.41Å; G809-T833 PolarHBondContact O-OG1 3Å
810E91Very high93.4Very high30 Ų3042.9 Ų42.914%0.1421%0.212CC..  trans-162.2158.1177.557.5-171.9135.100114.3W791 N808 R812 T833W791-E810 HydrophobicContact CH2-CG 4.18Å; W791-E810 HydrophobicContact CZ2-CG 3.91Å; N808-E810 PolarHBondContact ND2-O 3.44Å; N808-E810 PolarHBondContact O-N 3.25Å; N808-E810 VanDerWaalsContact O-N 3.09Å; E810-R812 HydrophobicContact CG-CG 3.94Å; E810-R812 IonicContact OE1-CZ 3.65Å; E810-R812 IonicContact OE1-NE 3.82Å; E810-R812 PolarHBondContact OE1-NE 3.06Å; E810-R812 IonicContact OE1-NH2 2.81Å; E810-R812 PolarHBondContact OE1-NH2 3.31Å; E810-R812 WeakPolarHBondContact OE2-CG 3.45Å; E810-R812 IonicContact OE2-CZ 3.7Å; E810-R812 IonicContact OE2-NE 3.77Å; E810-R812 PolarHBondContact OE2-NE 3.5Å; E810-R812 IonicContact OE2-NH2 2.84Å; E810-T833 CarbonylContact C-O 3.56Å; E810-T833 WeakPolarHBondContact CA-O 3.4Å; E810-T833 WeakPolarHBondContact CB-OG1 3.21Å
811I92.2Very high93.5Very high11 Ų1132.4 Ų32.46%0.05617%0.173CC..  trans-105115.2164.9-67.9168000107.7A817 A820 T832 T833 L834 L846I811-A817 HydrophobicContact CG2-CB 3.6Å; I811-A820 HydrophobicContact CD1-CB 3.9Å; I811-A820 HydrophobicContact CG1-CB 4.29Å; I811-T832 HydrophobicContact CD1-CG2 3.67Å; I811-T832 HydrophobicContact CG1-CG2 4.25Å; I811-T833 PolarHBondContact N-O 3.31Å; I811-L834 HydrophobicContact CG2-CD1 4.41Å; I811-L846 HydrophobicContact CG2-CD2 4.39Å
812R86.4Confident93.6Very high106 Ų10633.8 Ų33.840%0.418%0.175SC..  trans-104.8-31.6179.3-69.7-174.8175.6175.712.9114.4D786 E810D786-R812 IonicContact OD1-CZ 3.86Å; D786-R812 IonicContact OD1-NE 3.08Å; D786-R812 IonicContact OD1-NH1 3.85Å; D786-R812 PolarHBondContact OD1-NH1 3Å; D786-R812 IonicContact OD1-NH2 3.71Å; D786-R812 PolarHBondContact OD1-NH2 3.29Å; D786-R812 VanDerWaalsContact OD1-NH2 3.15Å; D786-R812 IonicContact OD2-CZ 2.84Å; D786-R812 VanDerWaalsContact OD2-CZ 3.26Å; D786-R812 IonicContact OD2-NH1 3.73Å; D786-R812 PolarHBondContact OD2-NH1 3.31Å; D786-R812 IonicContact OD2-NH2 2.82Å; D786-R812 PolarHBondContact OD2-NH2 2.91Å; E810-R812 HydrophobicContact CG-CG 3.94Å; E810-R812 IonicContact OE1-CZ 3.65Å; E810-R812 IonicContact OE1-NE 3.82Å; E810-R812 PolarHBondContact OE1-NE 3.06Å; E810-R812 IonicContact OE1-NH2 2.81Å; E810-R812 PolarHBondContact OE1-NH2 3.31Å; E810-R812 WeakPolarHBondContact OE2-CG 3.45Å; E810-R812 IonicContact OE2-CZ 3.7Å; E810-R812 IonicContact OE2-NE 3.77Å; E810-R812 PolarHBondContact OE2-NE 3.5Å; E810-R812 IonicContact OE2-NH2 2.84Å
813D89.1Confident93.6Very high37 Ų3727 Ų2720%0.19814%0.139CC..SBendtrans-140171.1-170.757.358.7000112.2A788 A815 S816 A817 E849A788-D813 WeakPolarHBondContact CB-OD2 3.24Å; D813-A815 VanDerWaalsContact C-N 3.33Å; D813-A815 PolarHBondContact O-N 2.94Å; D813-A815 PolarHBondContact OD1-N 2.85Å; D813-S816 PolarHBondContact O-N 2.97Å; D813-S816 WeakPolarHBondContact OD1-CB 3.14Å; D813-S816 PolarHBondContact OD1-N 3.18Å; D813-S816 PolarHBondContact OD1-OG 3.08Å; D813-S816 PolarHBondContact OD2-OG 3.37Å; D813-A817 WeakPolarHBondContact O-CB 3.41Å; D813-A817 PolarHBondContact O-N 2.88Å; D813-E849 WeakPolarHBondContact CA-OE2 3.44Å
814H92.7Very high93.6Very high84 Ų8426.8 Ų26.839%0.38914%0.137SC..Hα-helixtrans-51.1-47176.6-171.867.6000113.6S816 A817 I818 E849 G850H814-S816 PolarHBondContact O-N 2.98Å; H814-A817 WeakPolarHBondContact O-CB 3.4Å; H814-A817 PolarHBondContact O-N 2.9Å; H814-I818 VanDerWaalsContact O-CG1 3.31Å; H814-I818 WeakPolarHBondContact O-CG1 3.43Å; H814-I818 PolarHBondContact O-N 3.07Å; H814-E849 WeakPolarHBondContact CB-O 3.33Å; H814-E849 PolarHBondContact ND1-O 3.22Å; H814-G850 PolarHBondContact CE1-O 3.33Å; H814-G850 VanDerWaalsContact CE1-O 3.28Å
815A92.6Very high93.5Very high48 Ų4830.8 Ų30.840%0.39716%0.156SC..Hα-helixtrans-67.4-41.7-172.800000111.2V792 D813 T819V792-A815 HydrophobicContact CG2-CB 3.83Å; D813-A815 VanDerWaalsContact C-N 3.33Å; D813-A815 PolarHBondContact O-N 2.94Å; D813-A815 PolarHBondContact OD1-N 2.85Å; A815-T819 WeakPolarHBondContact O-CB 3.21Å; A815-T819 PolarHBondContact O-N 3.26Å; A815-T819 PolarHBondContact O-OG1 2.72Å
816S91.8Very high93.3Very high5 Ų534.9 Ų34.94%0.03518%0.181CC..Hα-helixtrans-62.3-44.1173.3-57.70000110.9D813 H814 T819 A820D813-S816 PolarHBondContact O-N 2.97Å; D813-S816 WeakPolarHBondContact OD1-CB 3.14Å; D813-S816 PolarHBondContact OD1-N 3.18Å; D813-S816 PolarHBondContact OD1-OG 3.08Å; D813-S816 PolarHBondContact OD2-OG 3.37Å; H814-S816 PolarHBondContact O-N 2.98Å; S816-T819 PolarHBondContact O-N 3.49Å; S816-A820 WeakPolarHBondContact O-CB 3.21Å; S816-A820 PolarHBondContact O-N 3.28Å
817A93.8Very high93.1Very high0 Ų036.6 Ų36.60%020%0.199CC..Hα-helixtrans-61.5-49.3177.800000112.4I811 D813 H814 T819 A820 I821 L846 V851I811-A817 HydrophobicContact CG2-CB 3.6Å; D813-A817 WeakPolarHBondContact O-CB 3.41Å; D813-A817 PolarHBondContact O-N 2.88Å; H814-A817 WeakPolarHBondContact O-CB 3.4Å; H814-A817 PolarHBondContact O-N 2.9Å; A817-T819 VanDerWaalsContact C-N 3.32Å; A817-T819 PolarHBondContact O-N 2.79Å; A817-A820 PolarHBondContact O-N 3.17Å; A817-I821 WeakPolarHBondContact O-CG1 3.44Å; A817-I821 PolarHBondContact O-N 2.89Å; A817-L846 HydrophobicContact CB-CD2 3.92Å; A817-V851 HydrophobicContact CB-CG2 3.75Å
818I94.8Very high93Very high30 Ų3037.6 Ų37.615%0.15420%0.203CC..Hα-helixtrans-62.8-40.1178.3-66-62.6000111.2H814 I821 K822 V851 M855H814-I818 VanDerWaalsContact O-CG1 3.31Å; H814-I818 WeakPolarHBondContact O-CG1 3.43Å; H814-I818 PolarHBondContact O-N 3.07Å; I818-I821 PolarHBondContact O-N 3.4Å; I818-K822 HydrophobicContact CG2-CD 4.1Å; I818-K822 HydrophobicContact CG2-CG 4.49Å; I818-K822 WeakPolarHBondContact O-CB 3.34Å; I818-K822 VanDerWaalsContact O-CG 3.31Å; I818-K822 WeakPolarHBondContact O-CG 3.42Å; I818-K822 PolarHBondContact O-N 3.09Å; I818-V851 HydrophobicContact CD1-CG1 4.45Å; I818-V851 HydrophobicContact CD1-CG2 4.29Å; I818-M855 HydrophobicContact CD1-CE 3.57Å; I818-M855 HydrophobicContact CD1-SD 4.3Å
819T93.9Very high93.1Very high15 Ų1537.5 Ų37.59%0.09220%0.203CC..Hα-helixtrans-67.6-40.3-179.9-54.30000111V792 V795 K796 A815 S816 A817 K822 A823V792-T819 HydrophobicContact CG1-CG2 4.42Å; V795-T819 HydrophobicContact CB-CG2 3.7Å; V795-T819 HydrophobicContact CG1-CG2 3.64Å; K796-T819 HydrophobicContact CG-CG2 4.3Å; A815-T819 WeakPolarHBondContact O-CB 3.21Å; A815-T819 PolarHBondContact O-N 3.26Å; A815-T819 PolarHBondContact O-OG1 2.72Å; S816-T819 PolarHBondContact O-N 3.49Å; A817-T819 VanDerWaalsContact C-N 3.32Å; A817-T819 PolarHBondContact O-N 2.79Å; T819-K822 PolarHBondContact O-N 2.82Å; T819-A823 PolarHBondContact O-N 2.95Å
820A94.4Very high93.4Very high0 Ų036.7 Ų36.70%019%0.194CC..Hα-helixtrans-63.7-43.2173.800000112.8I811 S816 A817 A823 A824 M830I811-A820 HydrophobicContact CD1-CB 3.9Å; I811-A820 HydrophobicContact CG1-CB 4.29Å; S816-A820 WeakPolarHBondContact O-CB 3.21Å; S816-A820 PolarHBondContact O-N 3.28Å; A817-A820 PolarHBondContact O-N 3.17Å; A820-A823 WeakPolarHBondContact O-CB 3.49Å; A820-A823 PolarHBondContact O-N 2.8Å; A820-A824 PolarHBondContact O-N 2.95Å; A820-A824 VanDerWaalsContact O-N 3.1Å; A820-M830 HydrophobicContact CB-CE 3.49Å; A820-M830 VanDerWaalsContact CB-CE 3.49Å; A820-M830 HydrophobicContact CB-CG 4.41Å
821I94.7Very high93.7Very high2 Ų235.3 Ų35.31%0.0119%0.187CC..Hα-helixtrans-60.5-46.6175.6-72.1165.7000111.1I724 A817 I818 A823 A824 M825 V851 M855 I856 L861 F862I724-I821 HydrophobicContact CD1-CB 4.32Å; I724-I821 HydrophobicContact CD1-CG1 3.71Å; A817-I821 WeakPolarHBondContact O-CG1 3.44Å; A817-I821 PolarHBondContact O-N 2.89Å; I818-I821 PolarHBondContact O-N 3.4Å; I821-A823 VanDerWaalsContact C-N 3.32Å; I821-A823 PolarHBondContact O-N 3.41Å; I821-A824 PolarHBondContact O-N 3.38Å; I821-M825 HydrophobicContact CG2-CG 4.28Å; I821-M825 HydrophobicContact CG2-SD 3.81Å; I821-M825 VanDerWaalsContact O-CG 3.3Å; I821-M825 WeakPolarHBondContact O-CG 3.39Å; I821-M825 PolarHBondContact O-N 3.06Å; I821-V851 HydrophobicContact CD1-CG1 3.58Å; I821-V851 HydrophobicContact CD1-CG2 4.4Å; I821-M855 HydrophobicContact CB-CE 4.41Å; I821-M855 HydrophobicContact CD1-CE 3.89Å; I821-M855 HydrophobicContact CG2-CE 3.78Å; I821-I856 HydrophobicContact CD1-CG2 4.45Å; I821-L861 HydrophobicContact CG2-CD2 3.74Å; I821-F862 HydrophobicContact CD1-CE2 4.49Å; I821-F862 HydrophobicContact CD1-CZ 4.06Å; I821-F862 HydrophobicContact CG1-CE2 4.37Å; I821-F862 HydrophobicContact CG1-CZ 4Å
822K93.7Very high93.9Very high126 Ų12634.8 Ų34.855%0.54819%0.185SC..Hα-helixtrans-60.5-41.2176.7-75.2175.2178.7178.40112.3I818 T819 A824 M825 T826I818-K822 HydrophobicContact CG2-CD 4.1Å; I818-K822 HydrophobicContact CG2-CG 4.49Å; I818-K822 WeakPolarHBondContact O-CB 3.34Å; I818-K822 VanDerWaalsContact O-CG 3.31Å; I818-K822 WeakPolarHBondContact O-CG 3.42Å; I818-K822 PolarHBondContact O-N 3.09Å; T819-K822 PolarHBondContact O-N 2.82Å; K822-A824 VanDerWaalsContact C-N 3.35Å; K822-A824 PolarHBondContact O-N 3.3Å; K822-M825 PolarHBondContact O-N 2.98Å; K822-T826 WeakPolarHBondContact O-CG2 3.44Å; K822-T826 PolarHBondContact O-N 2.88Å; K822-T826 PolarHBondContact O-OG1 2.86Å
823A94.3Very high94.4Very high0 Ų030.2 Ų30.20%017%0.169CC..Hα-helixtrans-58.2-48.8176.500000111V795 L799 I806 T819 A820 I821 M825 T826 H828V795-A823 HydrophobicContact CG1-CB 4Å; L799-A823 HydrophobicContact CD1-CB 4.28Å; L799-A823 HydrophobicContact CD2-CB 3.87Å; L799-A823 HydrophobicContact CG-CB 4.41Å; I806-A823 HydrophobicContact CD1-CB 4.35Å; T819-A823 PolarHBondContact O-N 2.95Å; A820-A823 WeakPolarHBondContact O-CB 3.49Å; A820-A823 PolarHBondContact O-N 2.8Å; I821-A823 VanDerWaalsContact C-N 3.32Å; I821-A823 PolarHBondContact O-N 3.41Å; A823-M825 PolarHBondContact O-N 3.48Å; A823-T826 PolarHBondContact O-N 3.37Å; A823-T826 VanDerWaalsContact O-N 3.16Å; A823-T826 PolarHBondContact O-OG1 3.47Å; A823-H828 PolarHBondContact O-ND1 2.9Å
824A95.5Very high94.5Very high1 Ų128.6 Ų28.61%0.00816%0.16CC..Hα-helixtrans-64.9-37.8178.300000113.8I724 A820 I821 K822 T826 G827 H828 M830 L861I724-A824 HydrophobicContact CD1-CB 3.98Å; I724-A824 HydrophobicContact CG1-CB 3.28Å; A820-A824 PolarHBondContact O-N 2.95Å; A820-A824 VanDerWaalsContact O-N 3.1Å; I821-A824 PolarHBondContact O-N 3.38Å; K822-A824 VanDerWaalsContact C-N 3.35Å; K822-A824 PolarHBondContact O-N 3.3Å; A824-T826 PolarHBondContact O-N 2.84Å; A824-T826 VanDerWaalsContact O-N 3.15Å; A824-G827 PolarHBondContact O-N 3.27Å; A824-H828 WeakPolarHBondContact CA-O 3.41Å; A824-M830 HydrophobicContact CB-CB 4.1Å; A824-L861 HydrophobicContact CB-CD1 3.61Å
825M93.6Very high94.3Very high126 Ų12629 Ų2962%0.62116%0.162SC*.Hα-helixtrans-66.7-10.9176-69.4179.970.600114.3I821 K822 A823 L861I821-M825 HydrophobicContact CG2-CG 4.28Å; I821-M825 HydrophobicContact CG2-SD 3.81Å; I821-M825 VanDerWaalsContact O-CG 3.3Å; I821-M825 WeakPolarHBondContact O-CG 3.39Å; I821-M825 PolarHBondContact O-N 3.06Å; K822-M825 PolarHBondContact O-N 2.98Å; A823-M825 PolarHBondContact O-N 3.48Å; M825-L861 HydrophobicContact CG-CD1 3.7Å; M825-L861 HydrophobicContact CG-CD2 4.12Å; M825-L861 HydrophobicContact SD-CD2 4.4Å
826T92.2Very high94.3Very high86 Ų8627.2 Ų27.253%0.52815%0.147SC..THydrogen-bonded Turntrans-10216.6-178.3550000113.4K822 A823 A824 H828K822-T826 WeakPolarHBondContact O-CG2 3.44Å; K822-T826 PolarHBondContact O-N 2.88Å; K822-T826 PolarHBondContact O-OG1 2.86Å; A823-T826 PolarHBondContact O-N 3.37Å; A823-T826 VanDerWaalsContact O-N 3.16Å; A823-T826 PolarHBondContact O-OG1 3.47Å; A824-T826 PolarHBondContact O-N 2.84Å; A824-T826 VanDerWaalsContact O-N 3.15Å; T826-H828 PolarHBondContact OG1-CE1 3.01Å; T826-H828 PolarHBondContact OG1-ND1 2.93Å
827G93.1Very high94.2Very high36 Ų3632.4 Ų32.437%0.37118%0.175SC..THydrogen-bonded Turntrans9719.7176.700000115.4E722 A824E722-G827 VanDerWaalsContact OE2-CA 3.29Å; E722-G827 WeakPolarHBondContact OE2-CA 3.49Å; A824-G827 PolarHBondContact O-N 3.27Å
828H95.9Very high94Very high26 Ų2633.9 Ų33.912%0.1218%0.182CC..  trans-114.9141.2-176.3-54.389.3000111.9E722 G723 L799 P803 A823 A824 T826E722-H828 WeakPolarHBondContact CA-O 3.38Å; G723-H828 PolarHBondContact N-O 3.38Å; L799-H828 VanDerWaalsContact CD2-CE1 3.45Å; L799-H828 WeakPolarHBondContact CD2-CE1 3.43Å; P803-H828 PolarHBondContact O-CD2 3.49Å; P803-H828 PolarHBondContact O-NE2 3.36Å; A823-H828 PolarHBondContact O-ND1 2.9Å; A824-H828 WeakPolarHBondContact CA-O 3.41Å; T826-H828 PolarHBondContact OG1-CE1 3.01Å; T826-H828 PolarHBondContact OG1-ND1 2.93Å
829L97.7Very high94Very high1 Ų132.4 Ų32.41%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-77.6121.5166.2179.468.4000109.4L718 P721 V725 Y746 D804 A805 I806 L831 I863L718-L829 HydrophobicContact CD2-CD2 4.25Å; P721-L829 PolarHBondContact O-N 3.38Å; V725-L829 HydrophobicContact CG2-CD1 4.48Å; Y746-L829 HydrophobicContact CD2-CD2 3.58Å; Y746-L829 HydrophobicContact CE2-CD2 3.59Å; D804-L829 PolarHBondContact O-N 3.41Å; A805-L829 CarbonylContact C-O 3.46Å; A805-L829 VanDerWaalsContact CA-O 3.23Å; A805-L829 WeakPolarHBondContact CA-O 3.06Å; A805-L829 HydrophobicContact CB-CB 3.99Å; A805-L829 HydrophobicContact CB-CD2 4.35Å; A805-L829 HydrophobicContact CB-CG 4.49Å; I806-L829 PolarHBondContact N-O 3.26Å; L829-L831 HydrophobicContact CD2-CD2 4.4Å; L829-L831 HydrophobicContact CG-CD2 4.28Å; L829-I863 HydrophobicContact CD1-CD1 3.75Å
830M97.4Very high93.9Very high0 Ų031.9 Ų31.90%017%0.171CC..EExtended strand (participates in β ladder)trans-110.6118.1-178.6-172.863.1164.200110.6G723 I724 V725 V795 I806 N808 A820 A824G723-M830 PolarHBondContact O-N 3.42Å; I724-M830 CarbonylContact C-O 3.58Å; I724-M830 WeakPolarHBondContact CA-O 3.46Å; I724-M830 HydrophobicContact CB-CB 4.49Å; I724-M830 HydrophobicContact CG1-CB 4.19Å; I724-M830 HydrophobicContact CG2-CB 4.39Å; I724-M830 HydrophobicContact CG2-CG 4.36Å; V725-M830 PolarHBondContact N-O 3.28Å; V795-M830 HydrophobicContact CG2-CE 4.47Å; I806-M830 HydrophobicContact CB-SD 3.73Å; I806-M830 HydrophobicContact CG2-CE 4.32Å; I806-M830 HydrophobicContact CG2-SD 3.7Å; I806-M830 CarbonylContact O-C 3.49Å; I806-M830 WeakPolarHBondContact O-CA 3.09Å; N808-M830 HydrophobicContact CB-CE 3.22Å; N808-M830 HydrophobicContact CB-SD 4.2Å; A820-M830 HydrophobicContact CB-CE 3.49Å; A820-M830 VanDerWaalsContact CB-CE 3.49Å; A820-M830 HydrophobicContact CB-CG 4.41Å; A824-M830 HydrophobicContact CB-CB 4.1Å
831L97.8Very high93.9Very high1 Ų133 Ų331%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-106.2127.2173.6-53.5-178.1000108.8L718 V725 L739 A742 I806 L807 N808 L829L718-L831 HydrophobicContact CD2-CD1 4.24Å; L718-L831 HydrophobicContact CD2-CD2 3.91Å; V725-L831 HydrophobicContact CB-CD2 3.76Å; V725-L831 HydrophobicContact CG1-CD2 4.48Å; V725-L831 HydrophobicContact CG2-CD2 3.99Å; L739-L831 HydrophobicContact CD2-CB 4.2Å; A742-L831 HydrophobicContact CB-CD1 4.47Å; I806-L831 PolarHBondContact O-N 2.91Å; L807-L831 CarbonylContact C-O 3.42Å; L807-L831 WeakPolarHBondContact CA-O 3.27Å; L807-L831 HydrophobicContact CB-CB 4.41Å; L807-L831 HydrophobicContact CG-CB 4.39Å; N808-L831 PolarHBondContact N-O 2.78Å; L829-L831 HydrophobicContact CD2-CD2 4.4Å; L829-L831 HydrophobicContact CG-CD2 4.28Å
832T96.9Very high93.9Very high0 Ų032.9 Ų32.90%018%0.177CC..EExtended strand (participates in β ladder)trans-150.4166.1-178.7-171.50000113.3I724 V725 I726 L727 N808 I811I724-T832 HydrophobicContact CG2-CG2 4.14Å; V725-T832 PolarHBondContact O-N 3.4Å; I726-T832 WeakPolarHBondContact CA-O 3.4Å; I726-T832 HydrophobicContact CB-CG2 4.4Å; I726-T832 HydrophobicContact CD1-CG2 4.38Å; I726-T832 HydrophobicContact CG1-CG2 3.78Å; I726-T832 HydrophobicContact CG2-CG2 4.38Å; L727-T832 PolarHBondContact N-O 3.04Å; N808-T832 WeakPolarHBondContact O-CA 3.42Å; N808-T832 WeakPolarHBondContact O-CB 3.45Å; N808-T832 PolarHBondContact O-OG1 3.36Å; N808-T832 VanDerWaalsContact O-OG1 3.1Å; I811-T832 HydrophobicContact CD1-CG2 3.67Å; I811-T832 HydrophobicContact CG1-CG2 4.25Å
833T95.7Very high93.9Very high10 Ų1026.9 Ų26.96%0.06115%0.151CC..EExtended strand (participates in β ladder)trans-112159.5170.178.10000113.2L727 K735 L739 G809 E810 I811L727-T833 VanDerWaalsContact O-CA 3.23Å; L727-T833 WeakPolarHBondContact O-CA 3.47Å; L727-T833 WeakPolarHBondContact O-CB 3.48Å; K735-T833 HydrophobicContact CB-CG2 3.95Å; K735-T833 HydrophobicContact CD-CG2 4.17Å; L739-T833 HydrophobicContact CD1-CG2 3.36Å; L739-T833 HydrophobicContact CG-CG2 4.25Å; G809-T833 WeakPolarHBondContact O-CB 3.46Å; G809-T833 WeakPolarHBondContact O-CG2 3.41Å; G809-T833 PolarHBondContact O-OG1 3Å; E810-T833 CarbonylContact C-O 3.56Å; E810-T833 WeakPolarHBondContact CA-O 3.4Å; E810-T833 WeakPolarHBondContact CB-OG1 3.21Å; I811-T833 PolarHBondContact N-O 3.31Å
834L91.7Very high93.8Very high4 Ų429.3 Ų29.32%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-154.3152.7171.4175.6152.2000109.7I726 L727 S728 I811 A836 R845 L846I726-L834 HydrophobicContact CG2-CB 3.93Å; L727-L834 PolarHBondContact O-N 3.41Å; S728-L834 WeakPolarHBondContact CA-O 3.41Å; S728-L834 WeakPolarHBondContact CB-O 3.42Å; I811-L834 HydrophobicContact CG2-CD1 4.41Å; L834-A836 HydrophobicContact CD2-CB 3.68Å; L834-A836 PolarHBondContact O-N 2.99Å; L834-R845 HydrophobicContact CD1-CB 4.28Å; L834-R845 HydrophobicContact CD1-CG 3.8Å; L834-R845 HydrophobicContact CD2-CB 3.81Å; L834-R845 HydrophobicContact CD2-CG 3.53Å; L834-R845 HydrophobicContact CG-CG 3.99Å; L834-L846 HydrophobicContact CD1-CD2 4.11Å; L834-L846 HydrophobicContact CD1-CG 4.34Å
835H89.6Confident93.6Very high93 Ų9333.4 Ų33.443%0.43118%0.177SC..  trans-8995.9178.1-72-79.3000111.9G729G729-H835 PolarHBondContact O-ND1 2.93Å
836A91.6Very high93.7Very high10 Ų1027.4 Ų27.48%0.08315%0.148CC..  trans-135.9153.6172.600000110.8S728 L834 N841 I842S728-A836 PolarHBondContact OG-O 3.4Å; L834-A836 HydrophobicContact CD2-CB 3.68Å; L834-A836 PolarHBondContact O-N 2.99Å; A836-N841 HydrophobicContact CB-CB 4.19Å; A836-I842 HydrophobicContact CB-CG1 4.09Å
837N89Confident93.7Very high114 Ų11426.8 Ų26.861%0.6114%0.139SC*.SBendtrans-75.4-33.9-173.8-73.9-23.4000113.6S867 R869 R962N837-S867 PolarHBondContact O-OG 3.31Å; N837-R869 PolarHBondContact O-NH2 2.81Å; N837-R962 PolarHBondContact O-NH1 2.84Å
838D90.7Very high93.6Very high30 Ų3031.6 Ų31.616%0.1615%0.154CC..SBendtrans-138.3171.4179.460.941.5000109S728 I840 N841S728-D838 PolarHBondContact OG-O 3.29Å; D838-I840 VanDerWaalsContact OD1-CG2 3.29Å; D838-I840 WeakPolarHBondContact OD1-CG2 3.45Å; D838-I840 PolarHBondContact OD1-N 3.38Å; D838-N841 VanDerWaalsContact CG-CG 3.46Å; D838-N841 WeakPolarHBondContact OD1-CB 3.49Å; D838-N841 PolarHBondContact OD1-N 3.35Å; D838-N841 PolarHBondContact OD1-ND2 3.28Å; D838-N841 VanDerWaalsContact OD1-ND2 3.1Å; D838-N841 PolarHBondContact OD1-OD1 3.46Å; D838-N841 PolarHBondContact OD2-ND2 2.97Å
839P93.7Very high93.4Very high0 Ų032.4 Ų32.40%016%0.157CC..SBendtrans-69.8-32.4-177.4-1325.9000113.2I842 L865 S867 E929 I931P839-I842 WeakPolarHBondContact O-CB 3.29Å; P839-I842 WeakPolarHBondContact O-CD1 3.27Å; P839-I842 VanDerWaalsContact O-CG1 3.24Å; P839-I842 WeakPolarHBondContact O-CG1 3.4Å; P839-I842 PolarHBondContact O-N 2.89Å; P839-L865 HydrophobicContact CB-CB 3.95Å; P839-L865 WeakPolarHBondContact CB-O 3.42Å; P839-S867 VanDerWaalsContact CD-CB 3.47Å; P839-E929 WeakPolarHBondContact CD-OE1 3.43Å; P839-E929 HydrophobicContact CG-CB 3.61Å; P839-E929 HydrophobicContact CG-CG 3.7Å; P839-E929 WeakPolarHBondContact CG-OE1 3.3Å; P839-I931 HydrophobicContact CB-CD1 3.9Å; P839-I931 HydrophobicContact CB-CG1 4.08Å; P839-I931 HydrophobicContact CG-CD1 4.28Å; P839-I931 HydrophobicContact CG-CG1 4.32Å
840I92.9Very high93.1Very high3 Ų334.4 Ų34.42%0.01518%0.178CC..THydrogen-bonded Turntrans-74.2-32.2-176.9-163.6158.2000112.4D838 I842 L843 F937 Y941 R946 A949 K950D838-I840 VanDerWaalsContact OD1-CG2 3.29Å; D838-I840 WeakPolarHBondContact OD1-CG2 3.45Å; D838-I840 PolarHBondContact OD1-N 3.38Å; I840-I842 PolarHBondContact O-N 3.42Å; I840-I842 VanDerWaalsContact O-N 3.15Å; I840-L843 WeakPolarHBondContact O-CB 3.36Å; I840-L843 PolarHBondContact O-N 2.87Å; I840-L843 VanDerWaalsContact O-N 3.08Å; I840-F937 HydrophobicContact CD1-CE2 4.27Å; I840-F937 HydrophobicContact CD1-CZ 3.82Å; I840-F937 HydrophobicContact CG1-CZ 4.26Å; I840-Y941 HydrophobicContact CG1-CD2 4.47Å; I840-R946 HydrophobicContact CD1-CB 3.68Å; I840-R946 WeakPolarHBondContact CD1-O 3.46Å; I840-R946 HydrophobicContact CG1-CB 3.86Å; I840-R946 HydrophobicContact CG2-CB 4.23Å; I840-A949 HydrophobicContact CD1-CB 3.96Å; I840-K950 HydrophobicContact CD1-CB 4.11Å
841N93.2Very high92.9Very high23 Ų2334.5 Ų34.512%0.12318%0.179CC..Hα-helixtrans-68.1-8.1173.6-66.4-15.7000112.9A836 D838 L843 E844 R845 R946A836-N841 HydrophobicContact CB-CB 4.19Å; D838-N841 VanDerWaalsContact CG-CG 3.46Å; D838-N841 WeakPolarHBondContact OD1-CB 3.49Å; D838-N841 PolarHBondContact OD1-N 3.35Å; D838-N841 PolarHBondContact OD1-ND2 3.28Å; D838-N841 VanDerWaalsContact OD1-ND2 3.1Å; D838-N841 PolarHBondContact OD1-OD1 3.46Å; D838-N841 PolarHBondContact OD2-ND2 2.97Å; N841-L843 PolarHBondContact O-N 2.93Å; N841-E844 PolarHBondContact OD1-OE2 3.4Å; N841-R845 VanDerWaalsContact O-CB 3.24Å; N841-R845 WeakPolarHBondContact O-CB 3.33Å; N841-R845 PolarHBondContact O-N 3.36Å; N841-R946 PolarHBondContact OD1-NH1 2.85Å
842I95.3Very high92.6Very high0 Ų039.1 Ų39.10%020%0.2CC..Hα-helixtrans-59.3-41.7167.5-65.1171.6000109.7I726 A836 P839 I840 R845 L846 L865I726-I842 HydrophobicContact CB-CD1 4.11Å; I726-I842 HydrophobicContact CB-CG2 3.92Å; I726-I842 HydrophobicContact CD1-CG2 3.65Å; I726-I842 HydrophobicContact CG1-CG2 4.32Å; I726-I842 HydrophobicContact CG2-CD1 3.94Å; I726-I842 HydrophobicContact CG2-CG1 4.37Å; I726-I842 HydrophobicContact CG2-CG2 3.7Å; A836-I842 HydrophobicContact CB-CG1 4.09Å; P839-I842 WeakPolarHBondContact O-CB 3.29Å; P839-I842 WeakPolarHBondContact O-CD1 3.27Å; P839-I842 VanDerWaalsContact O-CG1 3.24Å; P839-I842 WeakPolarHBondContact O-CG1 3.4Å; P839-I842 PolarHBondContact O-N 2.89Å; I840-I842 PolarHBondContact O-N 3.42Å; I840-I842 VanDerWaalsContact O-N 3.15Å; I842-R845 PolarHBondContact O-N 2.78Å; I842-L846 HydrophobicContact CG2-CD1 4.26Å; I842-L846 WeakPolarHBondContact O-CG 3.16Å; I842-L846 PolarHBondContact O-N 2.8Å; I842-L846 VanDerWaalsContact O-N 3.07Å; I842-L865 HydrophobicContact CB-CD2 4.37Å; I842-L865 HydrophobicContact CD1-CB 4.2Å; I842-L865 HydrophobicContact CD1-CD2 4.44Å; I842-L865 HydrophobicContact CG2-CD2 4.1Å
843L94.4Very high91.9Very high0 Ų041 Ų410%022%0.215CC..Hα-helixtrans-66-50.2179.6-58.3177.7000110.7I840 N841 R845 L846 E847 I856 F862 L865 F937 F938 Y941I840-L843 WeakPolarHBondContact O-CB 3.36Å; I840-L843 PolarHBondContact O-N 2.87Å; I840-L843 VanDerWaalsContact O-N 3.08Å; N841-L843 PolarHBondContact O-N 2.93Å; L843-R845 VanDerWaalsContact C-N 3.29Å; L843-R845 PolarHBondContact O-N 3.47Å; L843-L846 WeakPolarHBondContact O-CB 3.45Å; L843-L846 PolarHBondContact O-N 3.1Å; L843-L846 VanDerWaalsContact O-N 3.13Å; L843-E847 WeakPolarHBondContact O-CG 3.32Å; L843-E847 PolarHBondContact O-N 3.09Å; L843-I856 HydrophobicContact CB-CD1 3.92Å; L843-I856 HydrophobicContact CD2-CB 4.26Å; L843-I856 HydrophobicContact CD2-CD1 4.22Å; L843-I856 HydrophobicContact CD2-CG1 4.41Å; L843-I856 WeakPolarHBondContact O-CD1 3.47Å; L843-F862 HydrophobicContact CD2-CD1 4.42Å; L843-L865 HydrophobicContact CD1-CD1 4.08Å; L843-L865 HydrophobicContact CD2-CD1 4.13Å; L843-L865 HydrophobicContact CD2-CD2 4.26Å; L843-L865 HydrophobicContact CG-CD1 3.99Å; L843-F937 HydrophobicContact CD1-CE1 4.27Å; L843-F938 HydrophobicContact CD1-CD1 4.43Å; L843-F938 HydrophobicContact CD1-CE1 3.77Å; L843-F938 HydrophobicContact CD2-CE1 4.16Å; L843-Y941 HydrophobicContact CB-CE1 4.36Å; L843-Y941 HydrophobicContact CB-CE2 4.09Å; L843-Y941 WeakPolarHBondContact CB-OH 3.28Å; L843-Y941 HydrophobicContact CD1-CD1 4.28Å; L843-Y941 HydrophobicContact CD1-CD2 4.03Å; L843-Y941 HydrophobicContact CD1-CE1 4.18Å; L843-Y941 HydrophobicContact CD1-CE2 3.9Å; L843-Y941 HydrophobicContact CD1-CG 4.21Å
844E91.4Very high91.4Very high52 Ų5249.9 Ų49.924%0.24325%0.248CC..Hα-helixtrans-59.3-39.2175.9-69.9-174.1172.500112N841 L846 E847 M848 R946N841-E844 PolarHBondContact OD1-OE2 3.4Å; E844-L846 VanDerWaalsContact C-N 3.33Å; E844-L846 PolarHBondContact O-N 2.88Å; E844-E847 WeakPolarHBondContact O-CB 3.41Å; E844-E847 PolarHBondContact O-N 3.25Å; E844-M848 VanDerWaalsContact O-CG 3.31Å; E844-M848 WeakPolarHBondContact O-CG 3.27Å; E844-M848 PolarHBondContact O-N 3.41Å; E844-R946 VanDerWaalsContact OE1-CD 3.27Å; E844-R946 WeakPolarHBondContact OE1-CD 3.19Å; E844-R946 IonicContact OE1-CZ 2.97Å; E844-R946 IonicContact OE1-NE 3.14Å; E844-R946 IonicContact OE1-NH1 3.74Å; E844-R946 IonicContact OE2-CZ 3.78Å; E844-R946 IonicContact OE2-NH1 3.34Å; E844-R946 PolarHBondContact OE2-NH1 3.14Å
845R92.6Very high91.1Very high86 Ų8652.2 Ų52.233%0.32526%0.259SS..Hα-helixtrans-63.6-40.2177.3-175.466.8173.4123.616.5111.6L834 N841 I842 L843 E847 M848 E849L834-R845 HydrophobicContact CD1-CB 4.28Å; L834-R845 HydrophobicContact CD1-CG 3.8Å; L834-R845 HydrophobicContact CD2-CB 3.81Å; L834-R845 HydrophobicContact CD2-CG 3.53Å; L834-R845 HydrophobicContact CG-CG 3.99Å; N841-R845 VanDerWaalsContact O-CB 3.24Å; N841-R845 WeakPolarHBondContact O-CB 3.33Å; N841-R845 PolarHBondContact O-N 3.36Å; I842-R845 PolarHBondContact O-N 2.78Å; L843-R845 VanDerWaalsContact C-N 3.29Å; L843-R845 PolarHBondContact O-N 3.47Å; R845-E847 VanDerWaalsContact C-N 3.33Å; R845-M848 PolarHBondContact O-N 3.43Å; R845-E849 IonicContact CZ-OE1 3.62Å; R845-E849 IonicContact NH1-OE1 3.86Å; R845-E849 PolarHBondContact NH1-OE1 2.71Å; R845-E849 IonicContact NH2-OE1 3.58Å; R845-E849 PolarHBondContact NH2-OE1 2.9Å; R845-E849 WeakPolarHBondContact O-CG 3.46Å; R845-E849 PolarHBondContact O-N 2.84Å
846L94.5Very high91.1Very high1 Ų147.8 Ų47.81%0.00524%0.239CC..Hα-helixtrans-64.9-38.5174.2-69167.3000111.5I726 I811 A817 L834 I842 L843 E844 E849 G850 V851 I856 F862I726-L846 HydrophobicContact CD1-CD1 3.99Å; I811-L846 HydrophobicContact CG2-CD2 4.39Å; A817-L846 HydrophobicContact CB-CD2 3.92Å; L834-L846 HydrophobicContact CD1-CD2 4.11Å; L834-L846 HydrophobicContact CD1-CG 4.34Å; I842-L846 HydrophobicContact CG2-CD1 4.26Å; I842-L846 WeakPolarHBondContact O-CG 3.16Å; I842-L846 PolarHBondContact O-N 2.8Å; I842-L846 VanDerWaalsContact O-N 3.07Å; L843-L846 WeakPolarHBondContact O-CB 3.45Å; L843-L846 PolarHBondContact O-N 3.1Å; L843-L846 VanDerWaalsContact O-N 3.13Å; E844-L846 VanDerWaalsContact C-N 3.33Å; E844-L846 PolarHBondContact O-N 2.88Å; L846-E849 CarbonylContact O-C 3.49Å; L846-E849 PolarHBondContact O-N 3.47Å; L846-G850 PolarHBondContact O-N 2.84Å; L846-V851 HydrophobicContact CB-CB 4.2Å; L846-V851 HydrophobicContact CB-CG2 4.28Å; L846-V851 HydrophobicContact CD2-CG2 4.44Å; L846-V851 VanDerWaalsContact O-CB 3.26Å; L846-V851 WeakPolarHBondContact O-CB 3.31Å; L846-V851 WeakPolarHBondContact O-CG2 3.48Å; L846-V851 PolarHBondContact O-N 3.25Å; L846-I856 HydrophobicContact CB-CG2 4.29Å; L846-I856 HydrophobicContact CD1-CG2 4.13Å; L846-F862 HydrophobicContact CD1-CE1 3.5Å; L846-F862 HydrophobicContact CD1-CZ 3.84Å
847E93.3Very high91Very high72 Ų7247.9 Ų47.934%0.33624%0.239SC..Hα-helixtrans-63.8-40.7173.4-67179.6-160.600112.4L843 E844 R845 E849 G850 V851 I856 Y941L843-E847 WeakPolarHBondContact O-CG 3.32Å; L843-E847 PolarHBondContact O-N 3.09Å; E844-E847 WeakPolarHBondContact O-CB 3.41Å; E844-E847 PolarHBondContact O-N 3.25Å; R845-E847 VanDerWaalsContact C-N 3.33Å; E847-E849 VanDerWaalsContact C-N 3.29Å; E847-E849 PolarHBondContact O-N 3.33Å; E847-G850 WeakPolarHBondContact O-CA 3.3Å; E847-G850 PolarHBondContact O-N 2.8Å; E847-V851 WeakPolarHBondContact CA-O 3.29Å; E847-I856 HydrophobicContact CG-CD1 3.57Å; E847-Y941 WeakPolarHBondContact OE1-CE1 3.38Å; E847-Y941 PolarHBondContact OE1-OH 2.72Å
848M91.3Very high91.1Very high138 Ų13845.3 Ų45.368%0.6823%0.226SC*.Hα-helixtrans-63.2-34.9174.5-71.3177.6-173.900112.3E844 R845 G850E844-M848 VanDerWaalsContact O-CG 3.31Å; E844-M848 WeakPolarHBondContact O-CG 3.27Å; E844-M848 PolarHBondContact O-N 3.41Å; R845-M848 PolarHBondContact O-N 3.43Å; M848-G850 PolarHBondContact O-N 2.83Å
849E91.4Very high91.1Very high43 Ų4345.6 Ų45.620%0.20123%0.229CC..THydrogen-bonded Turntrans-74.62.9170.2-66-57.3144.400112.5D813 H814 R845 L846 E847D813-E849 WeakPolarHBondContact CA-OE2 3.44Å; H814-E849 WeakPolarHBondContact CB-O 3.33Å; H814-E849 PolarHBondContact ND1-O 3.22Å; R845-E849 IonicContact CZ-OE1 3.62Å; R845-E849 IonicContact NH1-OE1 3.86Å; R845-E849 PolarHBondContact NH1-OE1 2.71Å; R845-E849 IonicContact NH2-OE1 3.58Å; R845-E849 PolarHBondContact NH2-OE1 2.9Å; R845-E849 WeakPolarHBondContact O-CG 3.46Å; R845-E849 PolarHBondContact O-N 2.84Å; L846-E849 CarbonylContact O-C 3.49Å; L846-E849 PolarHBondContact O-N 3.47Å; E847-E849 VanDerWaalsContact C-N 3.29Å; E847-E849 PolarHBondContact O-N 3.33Å
850G91.5Very high91Very high42 Ų4252 Ų5243%0.43326%0.259SS..THydrogen-bonded Turntrans89.78.117500000115.3H814 L846 E847 M848H814-G850 PolarHBondContact CE1-O 3.33Å; H814-G850 VanDerWaalsContact CE1-O 3.28Å; L846-G850 PolarHBondContact O-N 2.84Å; E847-G850 WeakPolarHBondContact O-CA 3.3Å; E847-G850 PolarHBondContact O-N 2.8Å; M848-G850 PolarHBondContact O-N 2.83Å
851V93.2Very high91.1Very high3 Ų352.3 Ų52.32%0.01826%0.261CS..  trans-73.4129172.9-172.40000109.3A817 I818 I821 L846 E847 M855 I856A817-V851 HydrophobicContact CB-CG2 3.75Å; I818-V851 HydrophobicContact CD1-CG1 4.45Å; I818-V851 HydrophobicContact CD1-CG2 4.29Å; I821-V851 HydrophobicContact CD1-CG1 3.58Å; I821-V851 HydrophobicContact CD1-CG2 4.4Å; L846-V851 HydrophobicContact CB-CB 4.2Å; L846-V851 HydrophobicContact CB-CG2 4.28Å; L846-V851 HydrophobicContact CD2-CG2 4.44Å; L846-V851 VanDerWaalsContact O-CB 3.26Å; L846-V851 WeakPolarHBondContact O-CB 3.31Å; L846-V851 WeakPolarHBondContact O-CG2 3.48Å; L846-V851 PolarHBondContact O-N 3.25Å; E847-V851 WeakPolarHBondContact CA-O 3.29Å; V851-M855 HydrophobicContact CG1-CB 4.2Å; V851-M855 HydrophobicContact CG1-CE 3.94Å; V851-M855 HydrophobicContact CG1-SD 4.44Å; V851-I856 HydrophobicContact CB-CG2 4.31Å; V851-I856 HydrophobicContact CG1-CG2 3.53Å
852Q89.9Confident91.2Very high97 Ų9751.2 Ų51.245%0.45326%0.255SS..  trans-72.6137.5-175.2-63.5167.59.400111.1R854 M855 I856Q852-R854 HydrophobicContact CB-CG 4.06Å; Q852-R854 PolarHBondContact O-N 2.84Å; Q852-M855 WeakPolarHBondContact O-CB 3.45Å; Q852-M855 PolarHBondContact O-N 2.96Å; Q852-I856 PolarHBondContact O-N 3.12Å
853A84.1Confident91.3Very high39 Ų3951.5 Ų51.532%0.32226%0.256SS..Hα-helixtrans-49.8-35.9178.800000113.4M855 I856 A857A853-M855 PolarHBondContact O-N 2.8Å; A853-I856 WeakPolarHBondContact O-CG1 3.39Å; A853-I856 PolarHBondContact O-N 2.93Å; A853-A857 VanDerWaalsContact O-CB 3.25Å; A853-A857 WeakPolarHBondContact O-CB 3.27Å; A853-A857 PolarHBondContact O-N 3.13Å
854R83.9Confident91.4Very high197 Ų19751.5 Ų51.574%0.74326%0.256SS*.Hα-helixtrans-62.9-22.9176.970.2178.4174.7-169.7-0.5114.7Q852Q852-R854 HydrophobicContact CB-CG 4.06Å; Q852-R854 PolarHBondContact O-N 2.84Å
855M85.7Confident91.7Very high54 Ų5449 Ų4927%0.26625%0.245SC..Hα-helixtrans-87.2-30.1176.4-69.217643.700112I818 I821 V851 Q852 A853 L861I818-M855 HydrophobicContact CD1-CE 3.57Å; I818-M855 HydrophobicContact CD1-SD 4.3Å; I821-M855 HydrophobicContact CB-CE 4.41Å; I821-M855 HydrophobicContact CD1-CE 3.89Å; I821-M855 HydrophobicContact CG2-CE 3.78Å; V851-M855 HydrophobicContact CG1-CB 4.2Å; V851-M855 HydrophobicContact CG1-CE 3.94Å; V851-M855 HydrophobicContact CG1-SD 4.44Å; Q852-M855 WeakPolarHBondContact O-CB 3.45Å; Q852-M855 PolarHBondContact O-N 2.96Å; A853-M855 PolarHBondContact O-N 2.8Å; M855-L861 VanDerWaalsContact O-CD2 3.26Å; M855-L861 WeakPolarHBondContact O-CD2 3.41Å
856I89.4Confident92Very high0 Ų045.1 Ų45.10%023%0.231CC..Hα-helixtrans-93.9-25.7-176.467.4179000113.6I821 L843 L846 E847 V851 Q852 A853 D858 F862 F938I821-I856 HydrophobicContact CD1-CG2 4.45Å; L843-I856 HydrophobicContact CB-CD1 3.92Å; L843-I856 HydrophobicContact CD2-CB 4.26Å; L843-I856 HydrophobicContact CD2-CD1 4.22Å; L843-I856 HydrophobicContact CD2-CG1 4.41Å; L843-I856 WeakPolarHBondContact O-CD1 3.47Å; L846-I856 HydrophobicContact CB-CG2 4.29Å; L846-I856 HydrophobicContact CD1-CG2 4.13Å; E847-I856 HydrophobicContact CG-CD1 3.57Å; V851-I856 HydrophobicContact CB-CG2 4.31Å; V851-I856 HydrophobicContact CG1-CG2 3.53Å; Q852-I856 PolarHBondContact O-N 3.12Å; A853-I856 WeakPolarHBondContact O-CG1 3.39Å; A853-I856 PolarHBondContact O-N 2.93Å; I856-D858 PolarHBondContact O-N 2.96Å; I856-F862 VanDerWaalsContact CA-CE2 3.4Å; I856-F862 HydrophobicContact CB-CD2 4.24Å; I856-F862 HydrophobicContact CB-CE2 3.79Å; I856-F862 HydrophobicContact CB-CZ 3.95Å; I856-F862 HydrophobicContact CG2-CE1 4.47Å; I856-F862 HydrophobicContact CG2-CE2 3.81Å; I856-F862 HydrophobicContact CG2-CZ 3.64Å; I856-F862 WeakPolarHBondContact O-CD2 3.27Å; I856-F938 WeakPolarHBondContact O-CE1 3.49Å
857A89.3Confident92.1Very high11 Ų1145.1 Ų45.19%0.09123%0.23CC..SBendtrans-81.854179.700000112.4A853 F938 R942A853-A857 VanDerWaalsContact O-CB 3.25Å; A853-A857 WeakPolarHBondContact O-CB 3.27Å; A853-A857 PolarHBondContact O-N 3.13Å; A857-F938 VanDerWaalsContact CA-CD1 3.43Å; A857-F938 HydrophobicContact CB-CB 4.23Å; A857-F938 HydrophobicContact CB-CD1 3.91Å; A857-F938 HydrophobicContact CB-CG 4.28Å; A857-R942 HydrophobicContact CB-CG 3.95Å
858D91.2Very high92.2Very high60 Ų6041.7 Ų41.732%0.32121%0.214SC..  trans-133114.3-178.4-176.3-17.2000110.7I856 Q860 L861 F862I856-D858 PolarHBondContact O-N 2.96Å; D858-Q860 VanDerWaalsContact C-N 3.26Å; D858-Q860 PolarHBondContact O-N 3.21Å; D858-Q860 WeakPolarHBondContact OD1-CB 3.08Å; D858-Q860 PolarHBondContact OD1-N 3.46Å; D858-L861 HydrophobicContact CB-CB 3.99Å; D858-L861 PolarHBondContact O-N 3.36Å; D858-L861 PolarHBondContact OD1-N 2.85Å; D858-F862 PolarHBondContact O-N 2.79Å
859P91.4Very high92.4Very high37 Ų3736.2 Ų36.224%0.2419%0.186CC..THydrogen-bonded Turntrans-72.2-11.8-179.631.9-36.5000114.8A935 F938P859-A935 HydrophobicContact CG-CB 4.29Å; P859-F938 HydrophobicContact CB-CD2 3.97Å; P859-F938 HydrophobicContact CB-CE2 4.11Å; P859-F938 HydrophobicContact CG-CD2 4.38Å
860Q91.8Very high92.6Very high133 Ų13335.9 Ų35.962%0.62119%0.186SC*.THydrogen-bonded Turntrans-81.2-35.1169.9-67-172-18.900111.4R720 D858 I863R720-Q860 PolarHBondContact NH2-O 3.34Å; D858-Q860 VanDerWaalsContact C-N 3.26Å; D858-Q860 PolarHBondContact O-N 3.21Å; D858-Q860 WeakPolarHBondContact OD1-CB 3.08Å; D858-Q860 PolarHBondContact OD1-N 3.46Å; Q860-I863 WeakPolarHBondContact O-CG2 3.22Å
861L94.8Very high92.8Very high10 Ų1033.9 Ų33.95%0.05217%0.165CC..THydrogen-bonded Turntrans-86.1-50.4-178.6-177.860.5000112.7G723 I724 I821 A824 M825 M855 D858 I863G723-L861 CarbonylContact C-O 3.24Å; G723-L861 VanDerWaalsContact CA-O 3.31Å; G723-L861 WeakPolarHBondContact CA-O 3.45Å; I724-L861 HydrophobicContact CD1-CD1 3.97Å; I724-L861 HydrophobicContact CD1-CG 4.17Å; I724-L861 HydrophobicContact CG1-CD1 4.07Å; I724-L861 PolarHBondContact N-O 3.25Å; I821-L861 HydrophobicContact CG2-CD2 3.74Å; A824-L861 HydrophobicContact CB-CD1 3.61Å; M825-L861 HydrophobicContact CG-CD1 3.7Å; M825-L861 HydrophobicContact CG-CD2 4.12Å; M825-L861 HydrophobicContact SD-CD2 4.4Å; M855-L861 VanDerWaalsContact O-CD2 3.26Å; M855-L861 WeakPolarHBondContact O-CD2 3.41Å; D858-L861 HydrophobicContact CB-CB 3.99Å; D858-L861 PolarHBondContact O-N 3.36Å; D858-L861 PolarHBondContact OD1-N 2.85Å; L861-I863 PolarHBondContact O-N 3.02Å
862F96.1Very high93Very high1 Ų134.9 Ų34.90%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-98.690.1-179.9-75.9-95.9000109.5I724 I726 I821 L843 L846 I856 D858 L865 P933 F938I724-F862 HydrophobicContact CD1-CE1 4.17Å; I724-F862 HydrophobicContact CD1-CE2 4.17Å; I724-F862 HydrophobicContact CD1-CZ 3.89Å; I726-F862 HydrophobicContact CD1-CD1 4.24Å; I726-F862 HydrophobicContact CD1-CE1 3.76Å; I821-F862 HydrophobicContact CD1-CE2 4.49Å; I821-F862 HydrophobicContact CD1-CZ 4.06Å; I821-F862 HydrophobicContact CG1-CE2 4.37Å; I821-F862 HydrophobicContact CG1-CZ 4Å; L843-F862 HydrophobicContact CD2-CD1 4.42Å; L846-F862 HydrophobicContact CD1-CE1 3.5Å; L846-F862 HydrophobicContact CD1-CZ 3.84Å; I856-F862 VanDerWaalsContact CA-CE2 3.4Å; I856-F862 HydrophobicContact CB-CD2 4.24Å; I856-F862 HydrophobicContact CB-CE2 3.79Å; I856-F862 HydrophobicContact CB-CZ 3.95Å; I856-F862 HydrophobicContact CG2-CE1 4.47Å; I856-F862 HydrophobicContact CG2-CE2 3.81Å; I856-F862 HydrophobicContact CG2-CZ 3.64Å; I856-F862 WeakPolarHBondContact O-CD2 3.27Å; D858-F862 PolarHBondContact O-N 2.79Å; F862-L865 HydrophobicContact CD1-CD2 4.26Å; F862-P933 WeakPolarHBondContact O-CG 3.28Å; F862-F938 HydrophobicContact CB-CE2 4.43Å; F862-F938 HydrophobicContact CB-CZ 3.83Å
863I96.8Very high93.3Very high5 Ų531.9 Ų31.93%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-92.5-17.1-170.659.8168000113.4M717 R720 I724 V725 L829 Q860 L861M717-I863 HydrophobicContact CB-CD1 4.38Å; R720-I863 HydrophobicContact CB-CD1 3.79Å; R720-I863 HydrophobicContact CG-CD1 3.88Å; I724-I863 WeakPolarHBondContact O-CG1 3.32Å; I724-I863 PolarHBondContact O-N 3.23Å; V725-I863 HydrophobicContact CG2-CD1 3.9Å; V725-I863 HydrophobicContact CG2-CG1 3.82Å; L829-I863 HydrophobicContact CD1-CD1 3.75Å; Q860-I863 WeakPolarHBondContact O-CG2 3.22Å; L861-I863 PolarHBondContact O-N 3.02Å
864G97Very high94Very high0 Ų030.2 Ų30.20%014%0.143CC..EExtended strand (participates in β ladder)trans-153.1121.9-179.800000113.3M717 I724 V725 I726M717-G864 VanDerWaalsContact SD-CA 3.57Å; I724-G864 PolarHBondContact O-N 2.92Å; V725-G864 WeakPolarHBondContact CA-O 3.49Å; I726-G864 PolarHBondContact N-O 2.85Å
865L97.4Very high94.6Very high0 Ų020.9 Ų20.90%011%0.108CC..EExtended strand (participates in β ladder)trans-114.1114171.5-51.7175.6000107.9P839 I842 L843 F862 I931P839-L865 HydrophobicContact CB-CB 3.95Å; P839-L865 WeakPolarHBondContact CB-O 3.42Å; I842-L865 HydrophobicContact CB-CD2 4.37Å; I842-L865 HydrophobicContact CD1-CB 4.2Å; I842-L865 HydrophobicContact CD1-CD2 4.44Å; I842-L865 HydrophobicContact CG2-CD2 4.1Å; L843-L865 HydrophobicContact CD1-CD1 4.08Å; L843-L865 HydrophobicContact CD2-CD1 4.13Å; L843-L865 HydrophobicContact CD2-CD2 4.26Å; L843-L865 HydrophobicContact CG-CD1 3.99Å; F862-L865 HydrophobicContact CD1-CD2 4.26Å; L865-I931 HydrophobicContact CB-CB 4.23Å; L865-I931 PolarHBondContact N-O 3.31Å; L865-I931 PolarHBondContact O-N 2.87Å
866L97.9Very high95.1Very high5 Ų521.8 Ų21.83%0.02612%0.118CC..EExtended strand (participates in β ladder)trans-120.5145.1-176.5-71.171.1000110.1V714 M717 V725 I726 L727 S728 E929 V930V714-L866 HydrophobicContact CG2-CD2 3.85Å; M717-L866 HydrophobicContact SD-CD1 4.07Å; V725-L866 HydrophobicContact CG1-CD1 3.7Å; I726-L866 PolarHBondContact O-N 2.96Å; L727-L866 HydrophobicContact CD1-CB 3.53Å; L727-L866 HydrophobicContact CD1-CD2 4.26Å; S728-L866 PolarHBondContact N-O 2.93Å; S728-L866 PolarHBondContact OG-O 3.42Å; L866-E929 WeakPolarHBondContact CA-O 3.37Å; L866-V930 HydrophobicContact CD1-CG1 4.28Å; L866-V930 HydrophobicContact CD2-CG2 4.28Å; L866-V930 HydrophobicContact CG-CB 4.38Å; L866-V930 HydrophobicContact CG-CG1 4.03Å; L866-V930 HydrophobicContact CG-CG2 4.05Å
867S96.6Very high95.4Very high0 Ų027.7 Ų27.70%015%0.145CC..EExtended strand (participates in β ladder)trans-135.9141.3166.3-165.30000110.1S728 N837 P839 A928 E929S728-S867 WeakPolarHBondContact O-CA 3.08Å; S728-S867 VanDerWaalsContact OG-CB 3.23Å; S728-S867 WeakPolarHBondContact OG-CB 3.4Å; S728-S867 PolarHBondContact OG-OG 3.45Å; N837-S867 PolarHBondContact O-OG 3.31Å; P839-S867 VanDerWaalsContact CD-CB 3.47Å; S867-A928 CarbonylContact O-C 3.58Å; S867-A928 WeakPolarHBondContact O-CA 3.28Å; S867-E929 PolarHBondContact N-O 3.08Å; S867-E929 PolarHBondContact O-N 3.16Å
868Q96.4Very high95.8Very high0 Ų027.9 Ų27.90%015%0.146CC..EExtended strand (participates in β ladder)trans-138.1158.4178.971-178.863.400114.2Y706 L727 S728 S733 G734 T738 V926 I927 A928Y706-Q868 PolarHBondContact OH-OE1 2.58Å; L727-Q868 HydrophobicContact CD1-CG 4.09Å; S728-Q868 PolarHBondContact O-N 3.43Å; S733-Q868 WeakPolarHBondContact CB-O 3.42Å; S733-Q868 WeakPolarHBondContact O-CG 2.97Å; S733-Q868 PolarHBondContact O-NE2 3.36Å; G734-Q868 PolarHBondContact O-NE2 2.84Å; T738-Q868 PolarHBondContact OG1-NE2 3.49Å; T738-Q868 PolarHBondContact OG1-OE1 2.56Å; Q868-V926 HydrophobicContact CB-CG1 4Å; Q868-I927 CarbonylContact C-O 3.58Å; Q868-I927 VanDerWaalsContact CA-O 3.27Å; Q868-I927 WeakPolarHBondContact CA-O 3.33Å; Q868-A928 HydrophobicContact CB-CB 4.24Å
869R95.8Very high96Very high24 Ų2428.4 Ų28.49%0.09114%0.143CC..EExtended strand (participates in β ladder)trans-136.2165.2166.1-60.6-67-176.8-77.3-4.8109P730 N837 V926 I927 I983P730-R869 VanDerWaalsContact CD-NE 3.27Å; N837-R869 PolarHBondContact O-NH2 2.81Å; R869-V926 WeakPolarHBondContact O-CA 3.21Å; R869-I927 HydrophobicContact CB-CD1 4.13Å; R869-I927 HydrophobicContact CB-CG1 3.82Å; R869-I927 PolarHBondContact N-O 2.89Å; R869-I927 PolarHBondContact O-N 2.8Å; R869-I983 HydrophobicContact CB-CG2 3.97Å; R869-I983 HydrophobicContact CG-CG2 4.41Å
870L95.3Very high96.2Very high36 Ų3629.1 Ų29.119%0.18815%0.145CC..EExtended strand (participates in β ladder)trans-110.5129.4171.8-66.8-179000109.4G732 S733 R924 T925 V926G732-L870 WeakPolarHBondContact O-CD1 3.45Å; S733-L870 WeakPolarHBondContact O-CG 3.39Å; L870-R924 HydrophobicContact CB-CB 4.28Å; L870-T925 WeakPolarHBondContact CA-O 3.43Å; L870-V926 HydrophobicContact CD2-CG2 3.7Å
871V96.1Very high96.4Very high0 Ų024 Ų240%012%0.123CC..EExtended strand (participates in β ladder)trans-113.3153.4171.6-64.30000110.1R924 T925 I927 L966 V975 A980 I983V871-R924 CarbonylContact O-C 3.53Å; V871-R924 WeakPolarHBondContact O-CA 3.5Å; V871-T925 HydrophobicContact CG2-CG2 3.75Å; V871-T925 PolarHBondContact N-O 3.39Å; V871-T925 PolarHBondContact O-N 2.75Å; V871-I927 HydrophobicContact CG1-CD1 3.63Å; V871-I927 HydrophobicContact CG1-CG1 4.07Å; V871-I927 HydrophobicContact CG1-CG2 4.41Å; V871-I927 HydrophobicContact CG2-CG2 3.87Å; V871-L966 HydrophobicContact CG1-CD1 4.33Å; V871-V975 HydrophobicContact CB-CG1 4.26Å; V871-V975 HydrophobicContact CG2-CG1 4.14Å; V871-V975 HydrophobicContact CG2-CG2 3.8Å; V871-A980 HydrophobicContact CG1-CB 4.33Å; V871-I983 HydrophobicContact CG1-CB 4.43Å; V871-I983 HydrophobicContact CG1-CD1 4.3Å; V871-I983 HydrophobicContact CG1-CG2 4.22Å
872Q96.1Very high96.4Very high23 Ų2323.6 Ų23.611%0.10712%0.121CC..EExtended strand (participates in β ladder)trans-71.3139.7178.8-69.6175.6-10.400111H616 E618 V921H616-Q872 PolarHBondContact O-NE2 2.86Å; E618-Q872 PolarHBondContact OE1-NE2 2.61Å; Q872-V921 HydrophobicContact CB-CG1 3.97Å; Q872-V921 HydrophobicContact CB-CG2 4.19Å; Q872-V921 HydrophobicContact CG-CG1 4.15Å; Q872-V921 HydrophobicContact CG-CG2 4.35Å
873V97Very high96.3Very high35 Ų3529.8 Ų29.821%0.21215%0.149CC..EExtended strand (participates in β ladder)trans-94.9114.1170.6-179.20000108V921 N922 G923 T925 Q974V873-V921 WeakPolarHBondContact O-CA 3.48Å; V873-N922 PolarHBondContact O-N 3.29Å; V873-G923 PolarHBondContact N-O 3.04Å; V873-T925 HydrophobicContact CG2-CG2 3.66Å; V873-Q974 WeakPolarHBondContact CA-O 3.34Å
874I97.6Very high96.1Very high4 Ų435.2 Ų35.22%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-73.2149.6-179.265.6-176.4000111.2R879 Y907 R909 G920 Q974 D976I874-R879 HydrophobicContact CD1-CB 3.9Å; I874-R879 HydrophobicContact CG1-CB 4.21Å; I874-Y907 WeakPolarHBondContact CD1-O 3.17Å; I874-R909 HydrophobicContact CG2-CB 3.92Å; I874-G920 CarbonylContact C-O 3.56Å; I874-G920 WeakPolarHBondContact CA-O 3.27Å; I874-Q974 PolarHBondContact N-O 3.23Å; I874-D976 HydrophobicContact CG2-CB 3.86Å
875C97.3Very high95.9Very high0 Ų035.9 Ų35.90%018%0.179CC..  trans-68.4125.5-177.3-1780000111.3H877 C878 R879 C917 G920C875-H877 PolarHBondContact O-N 3.15Å; C875-H877 PolarHBondContact SG-N 3.08Å; C875-C878 PolarHBondContact O-N 3.03Å; C875-R879 VanDerWaalsContact O-CB 3.23Å; C875-R879 WeakPolarHBondContact O-CB 3.47Å; C875-R879 WeakPolarHBondContact O-CG 3.4Å; C875-R879 PolarHBondContact O-N 2.8Å; C875-R879 VanDerWaalsContact O-N 3.08Å; C875-C917 HydrophobicContact CB-CB 3.54Å; C875-C917 VanDerWaalsContact SG-CB 3.59Å; C875-G920 WeakPolarHBondContact CB-O 3.31Å; C875-G920 PolarHBondContact N-O 3.33Å
876P96.1Very high95.7Very high73 Ų7338.8 Ų38.847%0.47419%0.192SC..THydrogen-bonded Turntrans-66.5-20.3178.927.4-34.4000113.3
877H96.2Very high95.3Very high125 Ų12544.1 Ų44.158%0.57923%0.23SC*.THydrogen-bonded Turntrans-84.9-26.6-176.5-62.9-82.6000114.2C875 H916C875-H877 PolarHBondContact O-N 3.15Å; C875-H877 PolarHBondContact SG-N 3.08Å; H877-H916 AromaticContact CD2-CD2 3.93Å; H877-H916 AromaticContact CD2-CG 3.74Å; H877-H916 AromaticContact CG-CD2 3.76Å; H877-H916 AromaticContact ND1-CD2 4Å
878C96.3Very high95.1Very high14 Ų1448 Ų4810%0.09526%0.257CS..THydrogen-bonded Turntrans-128.4-0.1-173.774.60000114.4C875 N910 C914C875-C878 PolarHBondContact O-N 3.03Å; C878-N910 HydrophobicContact CB-CB 4.34Å; C878-N910 WeakPolarHBondContact O-CB 3.4Å; C878-N910 PolarHBondContact O-ND2 3.34Å; C878-C914 HydrophobicContact CB-CB 3.84Å
879R96.5Very high94.9Very high72 Ų7252 Ų5227%0.27227%0.272SS..PPolyproline II helixtrans-57.6145.2174.861.9-179.9-173.8-179.13.5111.4I874 C875 Y907 L908 G973I874-R879 HydrophobicContact CD1-CB 3.9Å; I874-R879 HydrophobicContact CG1-CB 4.21Å; C875-R879 VanDerWaalsContact O-CB 3.23Å; C875-R879 WeakPolarHBondContact O-CB 3.47Å; C875-R879 WeakPolarHBondContact O-CG 3.4Å; C875-R879 PolarHBondContact O-N 2.8Å; C875-R879 VanDerWaalsContact O-N 3.08Å; R879-Y907 HydrophobicContact CB-CD1 4.24Å; R879-Y907 HydrophobicContact CG-CD1 3.59Å; R879-Y907 HydrophobicContact CG-CE1 4.26Å; R879-Y907 HydrophobicContact CG-CG 4.08Å; R879-L908 WeakPolarHBondContact CA-O 3.39Å; R879-G973 PolarHBondContact NH1-O 2.78Å
880L96Very high94.9Very high51 Ų5154.6 Ų54.627%0.26729%0.29SS..EExtended strand (participates in β ladder)trans-102.7123.5-175.7-59174.6000109.8V885 Y907 L908 N910L880-V885 HydrophobicContact CB-CG1 3.99Å; L880-V885 HydrophobicContact CD1-CG1 3.93Å; L880-Y907 CarbonylContact O-C 3.54Å; L880-Y907 VanDerWaalsContact O-CA 3.28Å; L880-Y907 WeakPolarHBondContact O-CA 3.35Å; L880-L908 PolarHBondContact N-O 3.38Å; L880-L908 PolarHBondContact O-N 2.71Å; L880-N910 HydrophobicContact CD1-CB 4.36Å; L880-N910 HydrophobicContact CG-CB 4.16Å
881P96.2Very high94.8Very high25 Ų2557.6 Ų57.616%0.16231%0.307CS..EExtended strand (participates in β ladder)trans-59.1141.3173.6-20.531.4000111.7H883 E884 Y907P881-H883 VanDerWaalsContact C-N 3.32Å; P881-H883 WeakPolarHBondContact CB-CE1 3.41Å; P881-H883 PolarHBondContact O-N 2.85Å; P881-E884 HydrophobicContact CB-CG 4.33Å; P881-E884 HydrophobicContact CG-CG 4.4Å; P881-E884 PolarHBondContact O-N 3.31Å; P881-E884 VanDerWaalsContact O-N 3.11Å; P881-Y907 HydrophobicContact CB-CD1 4.45Å; P881-Y907 HydrophobicContact CB-CE1 4.3Å; P881-Y907 HydrophobicContact CG-CD1 4.31Å; P881-Y907 HydrophobicContact CG-CE1 4.01Å
882W95Very high94.6Very high3 Ų365.3 Ų65.31%0.01134%0.343CS..Hα-helixtrans-52-46-177.9173.7-107.8000113.7E884 V885 E886 R889 R894 V897 V906 L908W882-E884 PolarHBondContact O-N 2.82Å; W882-E884 VanDerWaalsContact O-N 3.11Å; W882-V885 HydrophobicContact CE3-CG2 4.39Å; W882-V885 VanDerWaalsContact O-CG2 3.32Å; W882-V885 WeakPolarHBondContact O-CG2 3.47Å; W882-V885 PolarHBondContact O-N 2.97Å; W882-E886 HydrophobicContact CD2-CB 4.26Å; W882-E886 HydrophobicContact CH2-CG 4.47Å; W882-E886 HydrophobicContact CZ2-CB 3.93Å; W882-E886 HydrophobicContact CZ2-CG 3.61Å; W882-E886 PolarHBondContact NE1-OE2 2.82Å; W882-E886 PolarHBondContact O-N 2.98Å; W882-R889 HydrophobicContact CH2-CB 4.28Å; W882-R889 HydrophobicContact CH2-CG 4Å; W882-R889 HydrophobicContact CZ3-CG 3.92Å; W882-R894 HydrophobicContact CH2-CG 4.07Å; W882-R894 HydrophobicContact CZ2-CB 4.37Å; W882-R894 HydrophobicContact CZ2-CG 3.98Å; W882-V897 HydrophobicContact CD2-CG1 3.93Å; W882-V897 HydrophobicContact CE3-CG1 4.21Å; W882-V897 HydrophobicContact CE3-CG2 4.39Å; W882-V897 HydrophobicContact CG-CG1 4.42Å; W882-V897 HydrophobicContact CH2-CB 3.98Å; W882-V897 HydrophobicContact CH2-CG1 4.33Å; W882-V897 HydrophobicContact CH2-CG2 3.9Å; W882-V897 HydrophobicContact CZ2-CB 3.96Å; W882-V897 HydrophobicContact CZ2-CG1 4.06Å; W882-V897 HydrophobicContact CZ2-CG2 4.39Å; W882-V897 HydrophobicContact CZ3-CB 4.33Å; W882-V897 HydrophobicContact CZ3-CG1 4.41Å; W882-V897 HydrophobicContact CZ3-CG2 3.91Å; W882-V906 HydrophobicContact CB-CB 3.99Å; W882-V906 HydrophobicContact CB-CG1 3.99Å; W882-V906 WeakPolarHBondContact CB-O 3.47Å; W882-V906 HydrophobicContact CE3-CG1 4.41Å; W882-V906 HydrophobicContact CG-CG1 4.43Å; W882-V906 PolarHBondContact N-O 3Å; W882-L908 HydrophobicContact CE3-CD1 4.2Å; W882-L908 HydrophobicContact CE3-CD2 4.33Å; W882-L908 HydrophobicContact CE3-CG 4.32Å; W882-L908 HydrophobicContact CZ3-CD1 4.18Å
883H93.7Very high94.5Very high131 Ų13166.6 Ų66.661%0.60635%0.349SS*.Hα-helixtrans-61.5-22.5-17765-94.8000114P881P881-H883 VanDerWaalsContact C-N 3.32Å; P881-H883 WeakPolarHBondContact CB-CE1 3.41Å; P881-H883 PolarHBondContact O-N 2.85Å
884E92.9Very high94.4Very high118 Ų11868.6 Ų68.655%0.55135%0.353SS*.Hα-helixtrans-80-22.2177-62.7-174.3178.300112.5P881 W882P881-E884 HydrophobicContact CB-CG 4.33Å; P881-E884 HydrophobicContact CG-CG 4.4Å; P881-E884 PolarHBondContact O-N 3.31Å; P881-E884 VanDerWaalsContact O-N 3.11Å; W882-E884 PolarHBondContact O-N 2.82Å; W882-E884 VanDerWaalsContact O-N 3.11Å
885V92.5Very high94.2Very high15 Ų1576.3 Ų76.39%0.09138%0.382CS..Hα-helixtrans-119.8-14.4-170-64.70000113.9L880 W882 S887 S888 L908L880-V885 HydrophobicContact CB-CG1 3.99Å; L880-V885 HydrophobicContact CD1-CG1 3.93Å; W882-V885 HydrophobicContact CE3-CG2 4.39Å; W882-V885 VanDerWaalsContact O-CG2 3.32Å; W882-V885 WeakPolarHBondContact O-CG2 3.47Å; W882-V885 PolarHBondContact O-N 2.97Å; V885-S887 VanDerWaalsContact C-N 3.27Å; V885-S887 PolarHBondContact O-N 2.92Å; V885-S888 WeakPolarHBondContact O-CB 3.24Å; V885-S888 PolarHBondContact O-N 3.15Å; V885-S888 PolarHBondContact O-OG 3.43Å; V885-L908 HydrophobicContact CB-CD1 4.42Å; V885-L908 HydrophobicContact CG2-CD1 3.52Å; V885-L908 HydrophobicContact CG2-CG 3.97Å
886E91.8Very high94Very high61 Ų6177.4 Ų77.429%0.28539%0.387SS..G310 helixtrans-49-47.1-178.4178.3-176.314800112.3W882 S888 R889 R894W882-E886 HydrophobicContact CD2-CB 4.26Å; W882-E886 HydrophobicContact CH2-CG 4.47Å; W882-E886 HydrophobicContact CZ2-CB 3.93Å; W882-E886 HydrophobicContact CZ2-CG 3.61Å; W882-E886 PolarHBondContact NE1-OE2 2.82Å; W882-E886 PolarHBondContact O-N 2.98Å; E886-S888 PolarHBondContact O-N 3.42Å; E886-R889 WeakPolarHBondContact O-CB 3.45Å; E886-R889 PolarHBondContact O-N 3.34Å; E886-R894 HydrophobicContact CG-CG 4.06Å; E886-R894 WeakPolarHBondContact O-CD 3.18Å
887S90.6Very high93.8Very high117 Ų11774 Ų7482%0.81837%0.365SS*.G310 helixtrans-61.2-19.2-178.563.20000114.7V885V885-S887 VanDerWaalsContact C-N 3.27Å; V885-S887 PolarHBondContact O-N 2.92Å
888S91.9Very high93.7Very high81 Ų8171.8 Ų71.857%0.56636%0.355SS*.G310 helixtrans-92.6-5.3177.770.90000113.8V885 E886V885-S888 WeakPolarHBondContact O-CB 3.24Å; V885-S888 PolarHBondContact O-N 3.15Å; V885-S888 PolarHBondContact O-OG 3.43Å; E886-S888 PolarHBondContact O-N 3.42Å
889R92.9Very high93.6Very high85 Ų8576.6 Ų76.632%0.32138%0.38SS..SBendtrans-92.6154.6-176.2-58.9-63.2141-179.71.2111.8W882 E886 E893 R894W882-R889 HydrophobicContact CH2-CB 4.28Å; W882-R889 HydrophobicContact CH2-CG 4Å; W882-R889 HydrophobicContact CZ3-CG 3.92Å; E886-R889 WeakPolarHBondContact O-CB 3.45Å; E886-R889 PolarHBondContact O-N 3.34Å; R889-E893 HydrophobicContact CB-CB 4.17Å; R889-R894 HydrophobicContact CB-CG 4Å
890T94.5Very high93.4Very high77 Ų7776.9 Ų76.947%0.47238%0.383SS..  trans-66155.317562.30000110.9E892 E893 R894T890-E892 PolarHBondContact O-N 2.83Å; T890-E893 PolarHBondContact N-OE2 2.97Å; T890-E893 PolarHBondContact O-N 3.47Å; T890-E893 VanDerWaalsContact OG1-CD 3.3Å; T890-E893 WeakPolarHBondContact OG1-CG 2.92Å; T890-E893 PolarHBondContact OG1-N 2.97Å; T890-E893 PolarHBondContact OG1-OE2 3.34Å; T890-R894 WeakPolarHBondContact O-CG 3.43Å; T890-R894 PolarHBondContact O-N 3.11Å
891D93.6Very high93.3Very high100 Ų10075 Ų7554%0.53537%0.374SS..Hα-helixtrans-57.5-31.3177.2-71.1-4.7000112.7R894 R895D891-R894 IonicContact OD1-CZ 3.63Å; D891-R894 IonicContact OD1-NE 3.82Å; D891-R894 IonicContact OD1-NH2 2.66Å; D891-R894 PolarHBondContact OD1-NH2 2.78Å; D891-R895 VanDerWaalsContact O-CG 3.26Å; D891-R895 WeakPolarHBondContact O-CG 3.41Å; D891-R895 PolarHBondContact O-N 3.31Å; D891-R895 VanDerWaalsContact O-N 3.14Å
892E93.1Very high93.2Very high161 Ų16179.5 Ų79.575%0.75239%0.393SS*.Hα-helixtrans-70.7-47.8177.7-173.5172.4-167.900112T890 R894 R895 L896T890-E892 PolarHBondContact O-N 2.83Å; E892-R894 VanDerWaalsContact C-N 3.32Å; E892-R894 PolarHBondContact O-N 3.15Å; E892-R895 PolarHBondContact O-N 3.2Å; E892-L896 PolarHBondContact O-N 2.6Å
893E93.9Very high93Very high51 Ų5181.5 Ų81.524%0.23841%0.406CS..Hα-helixtrans-60.6-41.5175.7-71.1167.8134.700111.8R889 T890 L896 V897 L978R889-E893 HydrophobicContact CB-CB 4.17Å; T890-E893 PolarHBondContact N-OE2 2.97Å; T890-E893 PolarHBondContact O-N 3.47Å; T890-E893 VanDerWaalsContact OG1-CD 3.3Å; T890-E893 WeakPolarHBondContact OG1-CG 2.92Å; T890-E893 PolarHBondContact OG1-N 2.97Å; T890-E893 PolarHBondContact OG1-OE2 3.34Å; E893-L896 PolarHBondContact O-N 3.28Å; E893-V897 WeakPolarHBondContact O-CG2 3.32Å; E893-V897 PolarHBondContact O-N 2.73Å; E893-V897 VanDerWaalsContact O-N 3.09Å; E893-L978 HydrophobicContact CB-CD1 4.28Å; E893-L978 HydrophobicContact CB-CD2 3.9Å; E893-L978 HydrophobicContact CG-CD1 4.19Å; E893-L978 HydrophobicContact CG-CD2 3.96Å
894R94.1Very high92.9Very high76 Ų7682.9 Ų82.929%0.28742%0.418SS..Hα-helixtrans-61.3-48.7176.9-70.6-166.3-64.7131.1-4.8111.6W882 E886 R889 T890 D891 E892 L896 V897 E898W882-R894 HydrophobicContact CH2-CG 4.07Å; W882-R894 HydrophobicContact CZ2-CB 4.37Å; W882-R894 HydrophobicContact CZ2-CG 3.98Å; E886-R894 HydrophobicContact CG-CG 4.06Å; E886-R894 WeakPolarHBondContact O-CD 3.18Å; R889-R894 HydrophobicContact CB-CG 4Å; T890-R894 WeakPolarHBondContact O-CG 3.43Å; T890-R894 PolarHBondContact O-N 3.11Å; D891-R894 IonicContact OD1-CZ 3.63Å; D891-R894 IonicContact OD1-NE 3.82Å; D891-R894 IonicContact OD1-NH2 2.66Å; D891-R894 PolarHBondContact OD1-NH2 2.78Å; E892-R894 VanDerWaalsContact C-N 3.32Å; E892-R894 PolarHBondContact O-N 3.15Å; R894-L896 VanDerWaalsContact C-N 3.3Å; R894-L896 PolarHBondContact O-N 2.94Å; R894-V897 PolarHBondContact O-N 2.99Å; R894-E898 VanDerWaalsContact O-CB 3.31Å; R894-E898 WeakPolarHBondContact O-CB 3.38Å; R894-E898 VanDerWaalsContact O-CG 3.27Å; R894-E898 WeakPolarHBondContact O-CG 3.33Å; R894-E898 PolarHBondContact O-N 3.34Å
895R93.3Very high93Very high167 Ų16778.4 Ų78.463%0.6340%0.401SS*.Hα-helixtrans-58.9-40.7175.9-74.6174.9-171.3-154.24.1112.3D891 E892 N899D891-R895 VanDerWaalsContact O-CG 3.26Å; D891-R895 WeakPolarHBondContact O-CG 3.41Å; D891-R895 PolarHBondContact O-N 3.31Å; D891-R895 VanDerWaalsContact O-N 3.14Å; E892-R895 PolarHBondContact O-N 3.2Å; R895-N899 WeakPolarHBondContact O-CB 3.29Å; R895-N899 PolarHBondContact O-N 2.84Å; R895-N899 PolarHBondContact O-ND2 3.41Å; R895-N899 VanDerWaalsContact O-ND2 3.08Å
896L92.7Very high93.1Very high23 Ų2377.8 Ų77.812%0.1240%0.397CS..Hα-helixtrans-61.5-46.3178.7-174.673.8000111.3E892 E893 R894 F900 L978 H981 V986 D987E892-L896 PolarHBondContact O-N 2.6Å; E893-L896 PolarHBondContact O-N 3.28Å; R894-L896 VanDerWaalsContact C-N 3.3Å; R894-L896 PolarHBondContact O-N 2.94Å; L896-F900 HydrophobicContact CD1-CD2 4.18Å; L896-F900 HydrophobicContact CD1-CE2 4.48Å; L896-F900 WeakPolarHBondContact O-CD2 3.38Å; L896-F900 PolarHBondContact O-N 3.04Å; L896-L978 HydrophobicContact CD2-CD2 4.36Å; L896-H981 HydrophobicContact CD2-CB 4.11Å; L896-H981 WeakPolarHBondContact CD2-ND1 3.32Å; L896-V986 HydrophobicContact CD1-CB 4.23Å; L896-V986 HydrophobicContact CD2-CB 4.44Å; L896-V986 HydrophobicContact CG-CB 4.33Å; L896-D987 HydrophobicContact CD1-CB 4.39Å
897V93.3Very high93.4Very high0 Ų078 Ų780%040%0.396CS..Hα-helixtrans-70.5-48.3179.8175.90000111.2W882 E893 R894 N899 C901 V906 P977 L978W882-V897 HydrophobicContact CD2-CG1 3.93Å; W882-V897 HydrophobicContact CE3-CG1 4.21Å; W882-V897 HydrophobicContact CE3-CG2 4.39Å; W882-V897 HydrophobicContact CG-CG1 4.42Å; W882-V897 HydrophobicContact CH2-CB 3.98Å; W882-V897 HydrophobicContact CH2-CG1 4.33Å; W882-V897 HydrophobicContact CH2-CG2 3.9Å; W882-V897 HydrophobicContact CZ2-CB 3.96Å; W882-V897 HydrophobicContact CZ2-CG1 4.06Å; W882-V897 HydrophobicContact CZ2-CG2 4.39Å; W882-V897 HydrophobicContact CZ3-CB 4.33Å; W882-V897 HydrophobicContact CZ3-CG1 4.41Å; W882-V897 HydrophobicContact CZ3-CG2 3.91Å; E893-V897 WeakPolarHBondContact O-CG2 3.32Å; E893-V897 PolarHBondContact O-N 2.73Å; E893-V897 VanDerWaalsContact O-N 3.09Å; R894-V897 PolarHBondContact O-N 2.99Å; V897-N899 PolarHBondContact O-N 2.86Å; V897-C901 HydrophobicContact CG1-CB 4.24Å; V897-C901 WeakPolarHBondContact O-CA 3.45Å; V897-C901 VanDerWaalsContact O-CB 3.23Å; V897-C901 WeakPolarHBondContact O-CB 3.45Å; V897-C901 PolarHBondContact O-N 3.14Å; V897-V906 HydrophobicContact CG1-CB 4.41Å; V897-V906 HydrophobicContact CG1-CG1 4.13Å; V897-V906 HydrophobicContact CG1-CG2 4.09Å; V897-P977 HydrophobicContact CG2-CB 4.33Å; V897-P977 HydrophobicContact CG2-CG 3.89Å; V897-L978 HydrophobicContact CG2-CD2 4.01Å
898E92.9Very high93.6Very high80 Ų8072.6 Ų72.637%0.37436%0.358SS..Hα-helixtrans-67.1-33.6-175.9-69.9166.7-156.400113.2R894 P903R894-E898 VanDerWaalsContact O-CB 3.31Å; R894-E898 WeakPolarHBondContact O-CB 3.38Å; R894-E898 VanDerWaalsContact O-CG 3.27Å; R894-E898 WeakPolarHBondContact O-CG 3.33Å; R894-E898 PolarHBondContact O-N 3.34Å; E898-P903 HydrophobicContact CG-CG 4.49Å
899N93.6Very high93.8Very high114 Ų11469.3 Ų69.361%0.6133%0.333SS*.Hα-helixtrans-83.2-30.5-177.5-67.8-23.9000113.6R895 V897R895-N899 WeakPolarHBondContact O-CB 3.29Å; R895-N899 PolarHBondContact O-N 2.84Å; R895-N899 PolarHBondContact O-ND2 3.41Å; R895-N899 VanDerWaalsContact O-ND2 3.08Å; V897-N899 PolarHBondContact O-N 2.86Å
900F93.6Very high93.9Very high78 Ų7866.9 Ų66.934%0.34233%0.327SS..Hα-helixtrans-120-18.9-169-61.9-79.6000114.3L896 L967 V986 D987L896-F900 HydrophobicContact CD1-CD2 4.18Å; L896-F900 HydrophobicContact CD1-CE2 4.48Å; L896-F900 WeakPolarHBondContact O-CD2 3.38Å; L896-F900 PolarHBondContact O-N 3.04Å; F900-L967 WeakPolarHBondContact O-CD2 3.23Å; F900-V986 HydrophobicContact CB-CG1 3.91Å; F900-D987 HydrophobicContact CD1-CB 4.15Å; F900-D987 HydrophobicContact CD2-CB 4.01Å; F900-D987 HydrophobicContact CE1-CB 3.76Å; F900-D987 HydrophobicContact CE2-CB 3.61Å; F900-D987 HydrophobicContact CG-CB 4.28Å; F900-D987 HydrophobicContact CZ-CB 3.47Å; F900-D987 VanDerWaalsContact CZ-CB 3.47Å
901C93.5Very high93.8Very high13 Ų1369.2 Ų69.29%0.08833%0.332CS..SBendtrans-111176.9179.6-53.30000111.3V897 P903 V906 I970V897-C901 HydrophobicContact CG1-CB 4.24Å; V897-C901 WeakPolarHBondContact O-CA 3.45Å; V897-C901 VanDerWaalsContact O-CB 3.23Å; V897-C901 WeakPolarHBondContact O-CB 3.45Å; V897-C901 PolarHBondContact O-N 3.14Å; C901-P903 WeakPolarHBondContact O-CD 3.49Å; C901-V906 HydrophobicContact CB-CG2 3.71Å; C901-I970 HydrophobicContact CB-CG2 4.21Å
902Q93.2Very high93.8Very high119 Ų11971.8 Ų71.856%0.55635%0.346SS*.  trans-100.799.7169.5-65.6177.93.100109.4D904 A905 V906 N971Q902-D904 PolarHBondContact O-N 3.49Å; Q902-D904 VanDerWaalsContact O-N 3.08Å; Q902-A905 HydrophobicContact CB-CB 4.27Å; Q902-A905 PolarHBondContact O-N 2.69Å; Q902-V906 WeakPolarHBondContact O-CG2 3.39Å; Q902-V906 PolarHBondContact O-N 3.18Å; Q902-N971 PolarHBondContact N-OD1 3.23Å
903P91.1Very high93.8Very high44 Ų4464.9 Ų64.929%0.28632%0.317SS..G310 helixtrans-52.1-37.9-171-30.637.3000114.6E898 C901 A905 V906E898-P903 HydrophobicContact CG-CG 4.49Å; C901-P903 WeakPolarHBondContact O-CD 3.49Å; P903-A905 PolarHBondContact O-N 3.06Å; P903-V906 PolarHBondContact O-N 2.88Å
904D93Very high93.8Very high161 Ų16164 Ų6486%0.86132%0.317SS*.G310 helixtrans-64.8-22.1179.1-66.4-25.6000114Q902Q902-D904 PolarHBondContact O-N 3.49Å; Q902-D904 VanDerWaalsContact O-N 3.08Å
905A93.5Very high93.9Very high24 Ų2466.8 Ų66.820%0.19834%0.344CS..G310 helixtrans-104.3-3.8-179.300000113.3Q902 P903 Y907 N971Q902-A905 HydrophobicContact CB-CB 4.27Å; Q902-A905 PolarHBondContact O-N 2.69Å; P903-A905 PolarHBondContact O-N 3.06Å; A905-Y907 WeakPolarHBondContact O-CD2 3.38Å; A905-N971 VanDerWaalsContact CB-O 3.3Å; A905-N971 WeakPolarHBondContact CB-O 3.35Å
906V95.4Very high93.9Very high1 Ų164.4 Ų64.41%0.00634%0.34CS..  trans-84.6135.9-176.4169.80000110.8W882 V897 C901 Q902 P903 L908 I970 P977W882-V906 HydrophobicContact CB-CB 3.99Å; W882-V906 HydrophobicContact CB-CG1 3.99Å; W882-V906 WeakPolarHBondContact CB-O 3.47Å; W882-V906 HydrophobicContact CE3-CG1 4.41Å; W882-V906 HydrophobicContact CG-CG1 4.43Å; W882-V906 PolarHBondContact N-O 3Å; V897-V906 HydrophobicContact CG1-CB 4.41Å; V897-V906 HydrophobicContact CG1-CG1 4.13Å; V897-V906 HydrophobicContact CG1-CG2 4.09Å; C901-V906 HydrophobicContact CB-CG2 3.71Å; Q902-V906 WeakPolarHBondContact O-CG2 3.39Å; Q902-V906 PolarHBondContact O-N 3.18Å; P903-V906 PolarHBondContact O-N 2.88Å; V906-L908 HydrophobicContact CG1-CD2 4.37Å; V906-I970 HydrophobicContact CG2-CG2 3.87Å; V906-P977 HydrophobicContact CG1-CG 3.64Å
907Y96.9Very high93.9Very high65 Ų6564.4 Ų64.426%0.25534%0.342SS..EExtended strand (participates in β ladder)trans-129.6141.8173.1-67.8-98.5000109.8I874 R879 L880 P881 A905I874-Y907 WeakPolarHBondContact CD1-O 3.17Å; R879-Y907 HydrophobicContact CB-CD1 4.24Å; R879-Y907 HydrophobicContact CG-CD1 3.59Å; R879-Y907 HydrophobicContact CG-CE1 4.26Å; R879-Y907 HydrophobicContact CG-CG 4.08Å; L880-Y907 CarbonylContact O-C 3.54Å; L880-Y907 VanDerWaalsContact O-CA 3.28Å; L880-Y907 WeakPolarHBondContact O-CA 3.35Å; P881-Y907 HydrophobicContact CB-CD1 4.45Å; P881-Y907 HydrophobicContact CB-CE1 4.3Å; P881-Y907 HydrophobicContact CG-CD1 4.31Å; P881-Y907 HydrophobicContact CG-CE1 4.01Å; A905-Y907 WeakPolarHBondContact O-CD2 3.38Å
908L95.7Very high93.8Very high4 Ų468.8 Ų68.82%0.02136%0.359CS..EExtended strand (participates in β ladder)trans-101155.1173.9-57.7-167.3000111.5R879 L880 W882 V885 V906 D976 P977 L978R879-L908 WeakPolarHBondContact CA-O 3.39Å; L880-L908 PolarHBondContact N-O 3.38Å; L880-L908 PolarHBondContact O-N 2.71Å; W882-L908 HydrophobicContact CE3-CD1 4.2Å; W882-L908 HydrophobicContact CE3-CD2 4.33Å; W882-L908 HydrophobicContact CE3-CG 4.32Å; W882-L908 HydrophobicContact CZ3-CD1 4.18Å; V885-L908 HydrophobicContact CB-CD1 4.42Å; V885-L908 HydrophobicContact CG2-CD1 3.52Å; V885-L908 HydrophobicContact CG2-CG 3.97Å; V906-L908 HydrophobicContact CG1-CD2 4.37Å; L908-D976 WeakPolarHBondContact CA-OD2 3.43Å; L908-P977 HydrophobicContact CD2-CG 4.09Å; L908-L978 HydrophobicContact CD1-CD1 4.12Å; L908-L978 HydrophobicContact CD2-CD1 4.27Å; L908-L978 HydrophobicContact CD2-CG 4.28Å
909R95.7Very high93.7Very high13 Ų1371 Ų715%0.04936%0.363CS..  trans-67.2135.2173.7179180171.4-175.2-5.1110.4E618 I874 R919 D976E618-R909 IonicContact OE1-CZ 2.69Å; E618-R909 IonicContact OE1-NH1 2.88Å; E618-R909 PolarHBondContact OE1-NH1 3.27Å; E618-R909 IonicContact OE1-NH2 2.62Å; E618-R909 IonicContact OE2-CZ 3.34Å; E618-R909 IonicContact OE2-NH1 3.21Å; E618-R909 PolarHBondContact OE2-NH1 3.27Å; E618-R909 IonicContact OE2-NH2 3.2Å; E618-R909 PolarHBondContact OE2-NH2 3.09Å; I874-R909 HydrophobicContact CG2-CB 3.92Å; R909-R919 VanDerWaalsContact CZ-O 3.28Å; R909-R919 PolarHBondContact NE-O 2.91Å; R909-R919 PolarHBondContact NH2-O 2.9Å; R909-D976 HydrophobicContact CB-CB 4.43Å; R909-D976 PolarHBondContact N-OD2 2.75Å
910N95.4Very high93.8Very high34 Ų3465.5 Ų65.518%0.18233%0.334CS..  trans-92.9105.1165.4-180-2.1000110C878 L880 N912 G913 G920C878-N910 HydrophobicContact CB-CB 4.34Å; C878-N910 WeakPolarHBondContact O-CB 3.4Å; C878-N910 PolarHBondContact O-ND2 3.34Å; L880-N910 HydrophobicContact CD1-CB 4.36Å; L880-N910 HydrophobicContact CG-CB 4.16Å; N910-N912 PolarHBondContact O-N 3.15Å; N910-N912 WeakPolarHBondContact OD1-CB 3.49Å; N910-N912 PolarHBondContact OD1-N 2.77Å; N910-N912 VanDerWaalsContact OD1-N 3.14Å; N910-G913 PolarHBondContact O-N 3.02Å; N910-G920 VanDerWaalsContact O-CA 3.3Å; N910-G920 WeakPolarHBondContact O-CA 3.46Å
911H92.3Very high93.9Very high125 Ų12561.9 Ų61.958%0.57932%0.319SS*.THydrogen-bonded Turntrans-63.8-23-176.9-68.6-84.5000114.2G913H911-G913 PolarHBondContact O-N 3.25Å
912N93.2Very high93.9Very high155 Ų15564.7 Ų64.783%0.82933%0.333SS*.THydrogen-bonded Turntrans-68.6-20.9174.5-63.3-28000111.9N910N910-N912 PolarHBondContact O-N 3.15Å; N910-N912 WeakPolarHBondContact OD1-CB 3.49Å; N910-N912 PolarHBondContact OD1-N 2.77Å; N910-N912 VanDerWaalsContact OD1-N 3.14Å
913G93Very high93.8Very high15 Ų1559.8 Ų59.816%0.15531%0.314CS..  trans64.2-171.2-176.400000113.7N910 H911 C917N910-G913 PolarHBondContact O-N 3.02Å; H911-G913 PolarHBondContact O-N 3.25Å; G913-C917 VanDerWaalsContact CA-SG 3.56Å
914C95Very high94Very high34 Ų3462.1 Ų62.123%0.2332%0.317CS..  trans-150.8173.8174.573.70000108.4C878 H916 C917C878-C914 HydrophobicContact CB-CB 3.84Å; C914-H916 PolarHBondContact O-N 3.05Å; C914-H916 PolarHBondContact SG-N 3.05Å; C914-C917 PolarHBondContact N-SG 3.24Å; C914-C917 PolarHBondContact O-N 3.18Å; C914-C917 VanDerWaalsContact O-N 3.13Å; C914-C917 VanDerWaalsContact SG-SG 3.64Å
915P95.1Very high94.2Very high133 Ų13355.1 Ų55.186%0.86428%0.28SS*.THydrogen-bonded Turntrans-58.9-13.2179.7-26.636.3000115.8
916H93.3Very high94.3Very high117 Ų11754.1 Ų54.154%0.54227%0.272SS..THydrogen-bonded Turntrans-95.8-1.2-179.4-61.5-73.3000114.5H877 C914 N922H877-H916 AromaticContact CD2-CD2 3.93Å; H877-H916 AromaticContact CD2-CG 3.74Å; H877-H916 AromaticContact CG-CD2 3.76Å; H877-H916 AromaticContact ND1-CD2 4Å; C914-H916 PolarHBondContact O-N 3.05Å; C914-H916 PolarHBondContact SG-N 3.05Å; H916-N922 PolarHBondContact O-OD1 3.03Å; H916-N922 VanDerWaalsContact O-OD1 3.08Å
917C93.1Very high94.4Very high24 Ų2454.1 Ų54.116%0.16227%0.272CS..SBendtrans-144.8165.8-173.266.90000112.9C875 G913 C914 G920 N922C875-C917 HydrophobicContact CB-CB 3.54Å; C875-C917 VanDerWaalsContact SG-CB 3.59Å; G913-C917 VanDerWaalsContact CA-SG 3.56Å; C914-C917 PolarHBondContact N-SG 3.24Å; C914-C917 PolarHBondContact O-N 3.18Å; C914-C917 VanDerWaalsContact O-N 3.13Å; C914-C917 VanDerWaalsContact SG-SG 3.64Å; C917-G920 WeakPolarHBondContact SG-CA 3.28Å; C917-G920 PolarHBondContact SG-N 3.18Å; C917-N922 VanDerWaalsContact CA-OD1 3.3Å; C917-N922 WeakPolarHBondContact CA-OD1 3.42Å; C917-N922 WeakPolarHBondContact CB-OD1 3.39Å
918W90.6Very high94.4Very high91 Ų9151 Ų5135%0.34526%0.259SS..BIsolated β-bridgetrans-98.3103.4167.3-168.4-94.7000109.2L592 V615 E620 G920 V921L592-W918 HydrophobicContact CD1-CH2 4.05Å; L592-W918 HydrophobicContact CD1-CZ2 4.29Å; L592-W918 HydrophobicContact CD2-CE3 3.85Å; L592-W918 HydrophobicContact CD2-CH2 3.79Å; L592-W918 HydrophobicContact CD2-CZ2 4.46Å; L592-W918 HydrophobicContact CD2-CZ3 3.46Å; L592-W918 VanDerWaalsContact CD2-CZ3 3.46Å; V615-W918 HydrophobicContact CG1-CG 3.95Å; E620-W918 HydrophobicContact CB-CZ2 4.48Å; E620-W918 HydrophobicContact CG-CZ2 4.35Å; W918-G920 PolarHBondContact O-N 2.98Å; W918-G920 VanDerWaalsContact O-N 3.11Å; W918-V921 PolarHBondContact N-O 3.25Å; W918-V921 PolarHBondContact O-N 2.92Å
919R92.7Very high94.5Very high126 Ų12651 Ų5148%0.47526%0.259SS..THydrogen-bonded Turntrans49.139-178.9-64.4-173.3173.5-178.7-4.2114.3E620 R909E620-R919 VanDerWaalsContact CD-CZ 3.42Å; E620-R919 VanDerWaalsContact OE1-CD 3.22Å; E620-R919 WeakPolarHBondContact OE1-CD 3.37Å; E620-R919 IonicContact OE1-CZ 2.81Å; E620-R919 VanDerWaalsContact OE1-CZ 3.23Å; E620-R919 IonicContact OE1-NE 2.94Å; E620-R919 PolarHBondContact OE1-NE 3.49Å; E620-R919 IonicContact OE1-NH1 3.99Å; E620-R919 PolarHBondContact OE1-NH1 2.98Å; E620-R919 IonicContact OE2-CZ 3.39Å; E620-R919 IonicContact OE2-NE 3.33Å; E620-R919 PolarHBondContact OE2-NE 2.79Å; E620-R919 IonicContact OE2-NH1 3.41Å; E620-R919 PolarHBondContact OE2-NH1 3.29Å; E620-R919 IonicContact OE2-NH2 3.76Å; E620-R919 PolarHBondContact OE2-NH2 2.86Å; R909-R919 VanDerWaalsContact CZ-O 3.28Å; R909-R919 PolarHBondContact NE-O 2.91Å; R909-R919 PolarHBondContact NH2-O 2.9Å
920G95.1Very high94.6Very high0 Ų050.9 Ų50.90%026%0.26CS..THydrogen-bonded Turntrans91.93.2178.800000115.4I874 C875 N910 C917 W918I874-G920 CarbonylContact C-O 3.56Å; I874-G920 WeakPolarHBondContact CA-O 3.27Å; C875-G920 WeakPolarHBondContact CB-O 3.31Å; C875-G920 PolarHBondContact N-O 3.33Å; N910-G920 VanDerWaalsContact O-CA 3.3Å; N910-G920 WeakPolarHBondContact O-CA 3.46Å; C917-G920 WeakPolarHBondContact SG-CA 3.28Å; C917-G920 PolarHBondContact SG-N 3.18Å; W918-G920 PolarHBondContact O-N 2.98Å; W918-G920 VanDerWaalsContact O-N 3.11Å
921V95.4Very high94.6Very high2 Ų249.3 Ų49.31%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-120.2138.2-178-1790000110.9H616 Q872 V873 W918 G923H616-V921 HydrophobicContact CB-CG1 3.71Å; Q872-V921 HydrophobicContact CB-CG1 3.97Å; Q872-V921 HydrophobicContact CB-CG2 4.19Å; Q872-V921 HydrophobicContact CG-CG1 4.15Å; Q872-V921 HydrophobicContact CG-CG2 4.35Å; V873-V921 WeakPolarHBondContact O-CA 3.48Å; W918-V921 PolarHBondContact N-O 3.25Å; W918-V921 PolarHBondContact O-N 2.92Å; V921-G923 VanDerWaalsContact CG1-O 3.25Å; V921-G923 WeakPolarHBondContact CG1-O 3.42Å
922N92.5Very high94.8Very high71 Ų7146.2 Ų46.238%0.3824%0.244SC..EExtended strand (participates in β ladder)trans-111.91.9179.8-80.612.2000113.7V873 H916 C917V873-N922 PolarHBondContact O-N 3.29Å; H916-N922 PolarHBondContact O-OD1 3.03Å; H916-N922 VanDerWaalsContact O-OD1 3.08Å; C917-N922 VanDerWaalsContact CA-OD1 3.3Å; C917-N922 WeakPolarHBondContact CA-OD1 3.42Å; C917-N922 WeakPolarHBondContact CB-OD1 3.39Å
923G92.5Very high94.9Very high16 Ų1639.2 Ų39.217%0.16521%0.207CC..EExtended strand (participates in β ladder)trans155.5-167.9-17500000112.7V873 V921V873-G923 PolarHBondContact N-O 3.04Å; V921-G923 VanDerWaalsContact CG1-O 3.25Å; V921-G923 WeakPolarHBondContact CG1-O 3.42Å
924R94.5Very high94.9Very high94 Ų9441.1 Ų41.136%0.35521%0.214SC..EExtended strand (participates in β ladder)trans-132.3150.2173.1-67.2178.5-67.9179.8-2.5109.5H616 L870 V871H616-R924 HydrophobicContact CB-CG 4.36Å; L870-R924 HydrophobicContact CB-CB 4.28Å; V871-R924 CarbonylContact O-C 3.53Å; V871-R924 WeakPolarHBondContact O-CA 3.5Å
925T96.5Very high94.9Very high13 Ų1342.8 Ų42.88%0.0823%0.23CC..EExtended strand (participates in β ladder)trans-132.8150.6179.3-1690000110.7L704 G705 L870 V871 V873 K969 V975L704-T925 PolarHBondContact O-OG1 2.72Å; G705-T925 WeakPolarHBondContact CA-OG1 3.32Å; L870-T925 WeakPolarHBondContact CA-O 3.43Å; V871-T925 HydrophobicContact CG2-CG2 3.75Å; V871-T925 PolarHBondContact N-O 3.39Å; V871-T925 PolarHBondContact O-N 2.75Å; V873-T925 HydrophobicContact CG2-CG2 3.66Å; T925-K969 HydrophobicContact CG2-CD 3.72Å; T925-K969 PolarHBondContact OG1-NZ 3.32Å; T925-V975 HydrophobicContact CG2-CG2 4.42Å
926V97.2Very high94.9Very high4 Ų441.2 Ų41.22%0.02421%0.21CC..EExtended strand (participates in β ladder)trans-74.1129.8-178.7168.40000110.7L704 Y706 Q868 R869 L870 A928 H965 K969L704-V926 HydrophobicContact CB-CG2 4.17Å; L704-V926 WeakPolarHBondContact O-CB 3.07Å; L704-V926 WeakPolarHBondContact O-CG2 3.21Å; L704-V926 PolarHBondContact O-N 2.72Å; Y706-V926 HydrophobicContact CD2-CG1 4.31Å; Y706-V926 HydrophobicContact CE2-CB 4.38Å; Y706-V926 HydrophobicContact CE2-CG1 3.87Å; Y706-V926 HydrophobicContact CE2-CG2 4.38Å; Q868-V926 HydrophobicContact CB-CG1 4Å; R869-V926 WeakPolarHBondContact O-CA 3.21Å; L870-V926 HydrophobicContact CD2-CG2 3.7Å; V926-A928 HydrophobicContact CG1-CB 3.72Å; V926-H965 PolarHBondContact O-CE1 2.97Å; V926-K969 PolarHBondContact O-NZ 3Å
927I97.3Very high95Very high0 Ų035.7 Ų35.70%018%0.184CC..EExtended strand (participates in β ladder)trans-106.7130.4155.556.3171.4000107.4Q868 R869 V871 R962 L966 K969Q868-I927 CarbonylContact C-O 3.58Å; Q868-I927 VanDerWaalsContact CA-O 3.27Å; Q868-I927 WeakPolarHBondContact CA-O 3.33Å; R869-I927 HydrophobicContact CB-CD1 4.13Å; R869-I927 HydrophobicContact CB-CG1 3.82Å; R869-I927 PolarHBondContact N-O 2.89Å; R869-I927 PolarHBondContact O-N 2.8Å; V871-I927 HydrophobicContact CG1-CD1 3.63Å; V871-I927 HydrophobicContact CG1-CG1 4.07Å; V871-I927 HydrophobicContact CG1-CG2 4.41Å; V871-I927 HydrophobicContact CG2-CG2 3.87Å; I927-R962 HydrophobicContact CB-CG 4.24Å; I927-R962 HydrophobicContact CD1-CG 4.01Å; I927-R962 HydrophobicContact CG1-CG 4.09Å; I927-L966 HydrophobicContact CD1-CB 4.22Å; I927-L966 HydrophobicContact CD1-CD1 4.46Å; I927-L966 HydrophobicContact CD1-CD2 4.46Å; I927-L966 HydrophobicContact CG2-CB 4.1Å; I927-L966 HydrophobicContact CG2-CD1 4.27Å; I927-K969 HydrophobicContact CG2-CD 4.18Å
928A97.2Very high95.1Very high0 Ų034.7 Ų34.70%018%0.177CC..EExtended strand (participates in β ladder)trans-140.2153.7-169.400000112Y706 Q710 S867 Q868 V926 H965Y706-A928 HydrophobicContact CD1-CB 4.25Å; Y706-A928 HydrophobicContact CE1-CB 3.71Å; Q710-A928 PolarHBondContact NE2-O 2.83Å; S867-A928 CarbonylContact O-C 3.58Å; S867-A928 WeakPolarHBondContact O-CA 3.28Å; Q868-A928 HydrophobicContact CB-CB 4.24Å; V926-A928 HydrophobicContact CG1-CB 3.72Å; A928-H965 PolarHBondContact N-ND1 3.18Å; A928-H965 VanDerWaalsContact N-ND1 3.15Å; A928-H965 PolarHBondContact O-ND1 3.41Å
929E97.1Very high95.3Very high4 Ų434.4 Ų34.42%0.01918%0.179CC..EExtended strand (participates in β ladder)trans-121.5126.5167.5-169.5173.411100107.3P839 L866 S867 K950 W953 T961 R962P839-E929 WeakPolarHBondContact CD-OE1 3.43Å; P839-E929 HydrophobicContact CG-CB 3.61Å; P839-E929 HydrophobicContact CG-CG 3.7Å; P839-E929 WeakPolarHBondContact CG-OE1 3.3Å; L866-E929 WeakPolarHBondContact CA-O 3.37Å; S867-E929 PolarHBondContact N-O 3.08Å; S867-E929 PolarHBondContact O-N 3.16Å; E929-K950 VanDerWaalsContact OE1-CE 3.27Å; E929-K950 WeakPolarHBondContact OE1-CE 3.37Å; E929-K950 IonicContact OE1-NZ 2.69Å; E929-K950 WeakPolarHBondContact OE2-CE 3.25Å; E929-K950 IonicContact OE2-NZ 3.28Å; E929-K950 PolarHBondContact OE2-NZ 3.49Å; E929-W953 HydrophobicContact CG-CH2 3.53Å; E929-W953 HydrophobicContact CG-CZ2 4.37Å; E929-W953 HydrophobicContact CG-CZ3 4.01Å; E929-T961 WeakPolarHBondContact OE2-CA 3.42Å; E929-R962 HydrophobicContact CB-CB 4.06Å; E929-R962 PolarHBondContact OE2-N 3.46Å; E929-R962 VanDerWaalsContact OE2-N 3.15Å
930V97.4Very high95.3Very high11 Ų1129.4 Ų29.47%0.06716%0.162CC..EExtended strand (participates in β ladder)trans-127104.5-172.8179.90000109.2Y706 Q710 A713 V714 M717 L866 W953Y706-V930 HydrophobicContact CD1-CG2 4.47Å; Y706-V930 HydrophobicContact CE1-CG2 4.09Å; Q710-V930 HydrophobicContact CB-CB 4.48Å; Q710-V930 HydrophobicContact CB-CG2 3.99Å; Q710-V930 HydrophobicContact CG-CB 4.42Å; Q710-V930 HydrophobicContact CG-CG2 4.12Å; A713-V930 HydrophobicContact CB-CG1 4.07Å; V714-V930 HydrophobicContact CG2-CG1 4.01Å; V714-V930 HydrophobicContact CG2-CG2 4.47Å; M717-V930 HydrophobicContact CE-CG1 3.8Å; L866-V930 HydrophobicContact CD1-CG1 4.28Å; L866-V930 HydrophobicContact CD2-CG2 4.28Å; L866-V930 HydrophobicContact CG-CB 4.38Å; L866-V930 HydrophobicContact CG-CG1 4.03Å; L866-V930 HydrophobicContact CG-CG2 4.05Å; V930-W953 WeakPolarHBondContact O-CZ2 3.47Å
931I96.9Very high95.3Very high0 Ų030.3 Ų30.30%017%0.165CC..EExtended strand (participates in β ladder)trans-99.6119.7179.3-53-176.3000108.8P839 L865 P933 F937 W953P839-I931 HydrophobicContact CB-CD1 3.9Å; P839-I931 HydrophobicContact CB-CG1 4.08Å; P839-I931 HydrophobicContact CG-CD1 4.28Å; P839-I931 HydrophobicContact CG-CG1 4.32Å; L865-I931 HydrophobicContact CB-CB 4.23Å; L865-I931 PolarHBondContact N-O 3.31Å; L865-I931 PolarHBondContact O-N 2.87Å; I931-P933 HydrophobicContact CG2-CB 4.43Å; I931-P933 WeakPolarHBondContact O-CD 3.44Å; I931-F937 HydrophobicContact CG2-CD2 4.46Å; I931-F937 HydrophobicContact CG2-CE2 3.97Å; I931-F937 HydrophobicContact CG2-CZ 4.08Å; I931-W953 HydrophobicContact CD1-CD2 4.33Å; I931-W953 HydrophobicContact CD1-CE3 4.39Å; I931-W953 HydrophobicContact CG1-CD2 3.94Å; I931-W953 HydrophobicContact CG1-CE3 4.31Å; I931-W953 HydrophobicContact CG1-CG 4.42Å; I931-W953 HydrophobicContact CG1-CH2 4.29Å; I931-W953 HydrophobicContact CG1-CZ2 3.94Å; I931-W953 HydrophobicContact CG1-CZ3 4.48Å; I931-W953 HydrophobicContact CG2-CD2 4.46Å; I931-W953 HydrophobicContact CG2-CG 4.08Å
932S95.3Very high95Very high61 Ų6137.4 Ų37.443%0.42719%0.192SC..  trans-100.593.5164178.70000107.3
933P94.4Very high95.1Very high8 Ų839.9 Ų39.95%0.05220%0.201CC..  trans-71.1140.3-172.531.5-36.7000111.2F862 I931 F937 F938F862-P933 WeakPolarHBondContact O-CG 3.28Å; I931-P933 HydrophobicContact CG2-CB 4.43Å; I931-P933 WeakPolarHBondContact O-CD 3.44Å; P933-F937 HydrophobicContact CB-CB 4.25Å; P933-F937 HydrophobicContact CB-CD1 3.41Å; P933-F937 VanDerWaalsContact CB-CD1 3.41Å; P933-F937 HydrophobicContact CB-CE1 3.91Å; P933-F937 HydrophobicContact CB-CG 3.9Å; P933-F938 HydrophobicContact CB-CD2 4.09Å; P933-F938 HydrophobicContact CB-CE2 3.53Å; P933-F938 HydrophobicContact CB-CZ 3.84Å; P933-F938 HydrophobicContact CG-CE2 3.53Å; P933-F938 HydrophobicContact CG-CZ 3.7Å
934D94.6Very high95.1Very high54 Ų5445.5 Ų45.529%0.28922%0.221SC..  trans-103.3-179.4169.875.9-13.4000111K936 F937 F938 Y952D934-K936 VanDerWaalsContact C-N 3.26Å; D934-K936 PolarHBondContact O-N 3.49Å; D934-K936 PolarHBondContact OD1-N 2.95Å; D934-F937 WeakPolarHBondContact O-CB 3.41Å; D934-F937 PolarHBondContact O-N 2.86Å; D934-F937 VanDerWaalsContact OD1-CB 3.31Å; D934-F937 WeakPolarHBondContact OD1-CB 3.48Å; D934-F937 PolarHBondContact OD1-N 3.43Å; D934-F938 PolarHBondContact O-N 2.97Å; D934-Y952 WeakPolarHBondContact OD1-CE1 3.44Å; D934-Y952 PolarHBondContact OD2-OH 3.32Å; D934-Y952 VanDerWaalsContact OD2-OH 3.08Å
935A94.2Very high95Very high69 Ų6942.3 Ų42.357%0.5722%0.218SC*.Hα-helixtrans-61.6-35.4179.800000112.6P859 F938 Q939P859-A935 HydrophobicContact CG-CB 4.29Å; A935-F938 PolarHBondContact O-N 3.32Å; A935-Q939 WeakPolarHBondContact O-CB 3.23Å; A935-Q939 PolarHBondContact O-N 3.33Å
936K95.3Very high94.7Very high101 Ų10146.2 Ų46.244%0.43923%0.231SC..Hα-helixtrans-72.4-36.9-179-176.2167.5171.4-172.20111.5D934 F938 Q939 I940 Y952D934-K936 VanDerWaalsContact C-N 3.26Å; D934-K936 PolarHBondContact O-N 3.49Å; D934-K936 PolarHBondContact OD1-N 2.95Å; K936-F938 PolarHBondContact O-N 2.93Å; K936-Q939 WeakPolarHBondContact O-CB 3.22Å; K936-Q939 PolarHBondContact O-N 3.38Å; K936-I940 HydrophobicContact CG-CD1 3.93Å; K936-I940 HydrophobicContact CG-CG1 4.44Å; K936-I940 VanDerWaalsContact O-CG1 3.29Å; K936-I940 WeakPolarHBondContact O-CG1 3.48Å; K936-I940 PolarHBondContact O-N 3.21Å; K936-Y952 HydrophobicContact CB-CE1 4.01Å; K936-Y952 HydrophobicContact CD-CD2 4.44Å; K936-Y952 HydrophobicContact CD-CE1 4.46Å; K936-Y952 HydrophobicContact CD-CE2 3.61Å; K936-Y952 HydrophobicContact CG-CE1 4.01Å; K936-Y952 HydrophobicContact CG-CE2 3.97Å
937F96.2Very high94.5Very high0 Ų049.3 Ų49.30%025%0.246CC..Hα-helixtrans-54.7-51.2171.1177.1-87.2000111I840 L843 I931 P933 D934 Q939 I940 Y941 A949 Y952 W953I840-F937 HydrophobicContact CD1-CE2 4.27Å; I840-F937 HydrophobicContact CD1-CZ 3.82Å; I840-F937 HydrophobicContact CG1-CZ 4.26Å; L843-F937 HydrophobicContact CD1-CE1 4.27Å; I931-F937 HydrophobicContact CG2-CD2 4.46Å; I931-F937 HydrophobicContact CG2-CE2 3.97Å; I931-F937 HydrophobicContact CG2-CZ 4.08Å; P933-F937 HydrophobicContact CB-CB 4.25Å; P933-F937 HydrophobicContact CB-CD1 3.41Å; P933-F937 VanDerWaalsContact CB-CD1 3.41Å; P933-F937 HydrophobicContact CB-CE1 3.91Å; P933-F937 HydrophobicContact CB-CG 3.9Å; D934-F937 WeakPolarHBondContact O-CB 3.41Å; D934-F937 PolarHBondContact O-N 2.86Å; D934-F937 VanDerWaalsContact OD1-CB 3.31Å; D934-F937 WeakPolarHBondContact OD1-CB 3.48Å; D934-F937 PolarHBondContact OD1-N 3.43Å; F937-Q939 PolarHBondContact O-N 3.39Å; F937-I940 PolarHBondContact O-N 2.81Å; F937-Y941 WeakPolarHBondContact O-CB 3.35Å; F937-Y941 PolarHBondContact O-N 2.88Å; F937-A949 HydrophobicContact CD2-CB 4.1Å; F937-A949 WeakPolarHBondContact CD2-O 3.49Å; F937-A949 HydrophobicContact CE2-CB 3.88Å; F937-A949 WeakPolarHBondContact CE2-O 3.48Å; F937-A949 HydrophobicContact CZ-CB 4.15Å; F937-Y952 HydrophobicContact CB-CD1 4.18Å; F937-Y952 HydrophobicContact CB-CE1 4.15Å; F937-W953 HydrophobicContact CD2-CB 3.93Å; F937-W953 HydrophobicContact CE2-CB 4.06Å
938F94.9Very high94.4Very high3 Ų352.4 Ų52.41%0.01326%0.261CS..Hα-helixtrans-70.4-30.6179.5-78-56.6000113.6L843 I856 A857 P859 F862 P933 D934 A935 K936 R942L843-F938 HydrophobicContact CD1-CD1 4.43Å; L843-F938 HydrophobicContact CD1-CE1 3.77Å; L843-F938 HydrophobicContact CD2-CE1 4.16Å; I856-F938 WeakPolarHBondContact O-CE1 3.49Å; A857-F938 VanDerWaalsContact CA-CD1 3.43Å; A857-F938 HydrophobicContact CB-CB 4.23Å; A857-F938 HydrophobicContact CB-CD1 3.91Å; A857-F938 HydrophobicContact CB-CG 4.28Å; P859-F938 HydrophobicContact CB-CD2 3.97Å; P859-F938 HydrophobicContact CB-CE2 4.11Å; P859-F938 HydrophobicContact CG-CD2 4.38Å; F862-F938 HydrophobicContact CB-CE2 4.43Å; F862-F938 HydrophobicContact CB-CZ 3.83Å; P933-F938 HydrophobicContact CB-CD2 4.09Å; P933-F938 HydrophobicContact CB-CE2 3.53Å; P933-F938 HydrophobicContact CB-CZ 3.84Å; P933-F938 HydrophobicContact CG-CE2 3.53Å; P933-F938 HydrophobicContact CG-CZ 3.7Å; D934-F938 PolarHBondContact O-N 2.97Å; A935-F938 PolarHBondContact O-N 3.32Å; K936-F938 PolarHBondContact O-N 2.93Å; F938-R942 WeakPolarHBondContact O-CG 3.48Å; F938-R942 PolarHBondContact O-N 3.09Å; F938-R942 PolarHBondContact O-NE 2.95Å
939Q93.4Very high94.3Very high85 Ų8552.4 Ų52.440%0.39726%0.261SS..Hα-helixtrans-60.6-51.2169.8-176.9-178.5-5.100110.9A935 K936 F937 Y941 R942 E943A935-Q939 WeakPolarHBondContact O-CB 3.23Å; A935-Q939 PolarHBondContact O-N 3.33Å; K936-Q939 WeakPolarHBondContact O-CB 3.22Å; K936-Q939 PolarHBondContact O-N 3.38Å; F937-Q939 PolarHBondContact O-N 3.39Å; Q939-Y941 PolarHBondContact O-N 3.31Å; Q939-R942 PolarHBondContact O-N 3.06Å; Q939-E943 HydrophobicContact CG-CG 4.4Å; Q939-E943 WeakPolarHBondContact CG-OE1 3.5Å; Q939-E943 PolarHBondContact NE2-OE1 3.41Å; Q939-E943 WeakPolarHBondContact O-CB 3.48Å; Q939-E943 WeakPolarHBondContact O-CG 3.4Å; Q939-E943 PolarHBondContact O-N 3.03Å
940I94.4Very high94.2Very high21 Ų2152.8 Ų52.811%0.10826%0.262CS..Hα-helixtrans-63.7-42.3-179.8-66.8168.2000111K936 F937 R942 E943 K944 G945 E948 A949 Y952K936-I940 HydrophobicContact CG-CD1 3.93Å; K936-I940 HydrophobicContact CG-CG1 4.44Å; K936-I940 VanDerWaalsContact O-CG1 3.29Å; K936-I940 WeakPolarHBondContact O-CG1 3.48Å; K936-I940 PolarHBondContact O-N 3.21Å; F937-I940 PolarHBondContact O-N 2.81Å; I940-R942 VanDerWaalsContact C-N 3.28Å; I940-R942 PolarHBondContact O-N 3.14Å; I940-E943 PolarHBondContact O-N 2.91Å; I940-K944 HydrophobicContact CG2-CB 4.25Å; I940-K944 HydrophobicContact CG2-CD 4.4Å; I940-K944 WeakPolarHBondContact O-CA 3.39Å; I940-K944 PolarHBondContact O-N 3.29Å; I940-G945 PolarHBondContact O-N 3.24Å; I940-E948 HydrophobicContact CG2-CB 3.61Å; I940-A949 HydrophobicContact CB-CB 4.42Å; I940-A949 HydrophobicContact CG2-CB 4.06Å; I940-Y952 HydrophobicContact CD1-CD1 3.88Å; I940-Y952 HydrophobicContact CD1-CD2 3.73Å; I940-Y952 HydrophobicContact CD1-CE2 4.47Å; I940-Y952 HydrophobicContact CD1-CG 3.42Å; I940-Y952 VanDerWaalsContact CD1-CG 3.42Å
941Y93.5Very high94.1Very high19 Ų1952.9 Ų52.98%0.07526%0.263CS..Hα-helixtrans-54.2-45.7176.5173.8-100.5000111.5I840 L843 E847 F937 Q939 G945 R946I840-Y941 HydrophobicContact CG1-CD2 4.47Å; L843-Y941 HydrophobicContact CB-CE1 4.36Å; L843-Y941 HydrophobicContact CB-CE2 4.09Å; L843-Y941 WeakPolarHBondContact CB-OH 3.28Å; L843-Y941 HydrophobicContact CD1-CD1 4.28Å; L843-Y941 HydrophobicContact CD1-CD2 4.03Å; L843-Y941 HydrophobicContact CD1-CE1 4.18Å; L843-Y941 HydrophobicContact CD1-CE2 3.9Å; L843-Y941 HydrophobicContact CD1-CG 4.21Å; E847-Y941 WeakPolarHBondContact OE1-CE1 3.38Å; E847-Y941 PolarHBondContact OE1-OH 2.72Å; F937-Y941 WeakPolarHBondContact O-CB 3.35Å; F937-Y941 PolarHBondContact O-N 2.88Å; Q939-Y941 PolarHBondContact O-N 3.31Å; Y941-G945 VanDerWaalsContact O-CA 3.28Å; Y941-G945 WeakPolarHBondContact O-CA 3.46Å; Y941-G945 PolarHBondContact O-N 3.14Å; Y941-G945 VanDerWaalsContact O-N 3.14Å; Y941-R946 HydrophobicContact CE2-CB 4.49Å
942R90.7Very high94Very high152 Ų15254.1 Ų54.157%0.57427%0.268SS*.Hα-helixtrans-72.2-37.7179.1-67.1-179.5-54.4-172.68.7113.7A857 F938 Q939 I940A857-R942 HydrophobicContact CB-CG 3.95Å; F938-R942 WeakPolarHBondContact O-CG 3.48Å; F938-R942 PolarHBondContact O-N 3.09Å; F938-R942 PolarHBondContact O-NE 2.95Å; Q939-R942 PolarHBondContact O-N 3.06Å; I940-R942 VanDerWaalsContact C-N 3.28Å; I940-R942 PolarHBondContact O-N 3.14Å
943E93.4Very high94Very high122 Ų12251.7 Ų51.757%0.5725%0.249SC*.Hα-helixtrans-86.2-35-172.5-72174.9-172.700113.3Q939 I940Q939-E943 HydrophobicContact CG-CG 4.4Å; Q939-E943 WeakPolarHBondContact CG-OE1 3.5Å; Q939-E943 PolarHBondContact NE2-OE1 3.41Å; Q939-E943 WeakPolarHBondContact O-CB 3.48Å; Q939-E943 WeakPolarHBondContact O-CG 3.4Å; Q939-E943 PolarHBondContact O-N 3.03Å; I940-E943 PolarHBondContact O-N 2.91Å
944K93.4Very high94.1Very high135 Ų13553.1 Ų53.159%0.58726%0.255SS*.Hα-helixtrans-125-20.7-169.4-56.3-171.2-179.2-177.40113.7I940 E948I940-K944 HydrophobicContact CG2-CB 4.25Å; I940-K944 HydrophobicContact CG2-CD 4.4Å; I940-K944 WeakPolarHBondContact O-CA 3.39Å; I940-K944 PolarHBondContact O-N 3.29Å; K944-E948 HydrophobicContact CB-CB 3.73Å; K944-E948 HydrophobicContact CB-CG 3.72Å; K944-E948 HydrophobicContact CD-CB 4.32Å; K944-E948 HydrophobicContact CD-CG 4.17Å
945G91.4Very high94.1Very high27 Ų2756.7 Ų56.728%0.27827%0.265SS..  trans102-175.2179.100000113.8I940 Y941 A949I940-G945 PolarHBondContact O-N 3.24Å; Y941-G945 VanDerWaalsContact O-CA 3.28Å; Y941-G945 WeakPolarHBondContact O-CA 3.46Å; Y941-G945 PolarHBondContact O-N 3.14Å; Y941-G945 VanDerWaalsContact O-N 3.14Å; G945-A949 PolarHBondContact O-N 3.31Å
946R91.4Very high94.1Very high94 Ų9459.7 Ų59.736%0.35527%0.267SS..Hα-helixtrans-66.6-40.7-169.264.3167.4179.1-152.4-6.8114I840 N841 E844 Y941 E948 A949 K950I840-R946 HydrophobicContact CD1-CB 3.68Å; I840-R946 WeakPolarHBondContact CD1-O 3.46Å; I840-R946 HydrophobicContact CG1-CB 3.86Å; I840-R946 HydrophobicContact CG2-CB 4.23Å; N841-R946 PolarHBondContact OD1-NH1 2.85Å; E844-R946 VanDerWaalsContact OE1-CD 3.27Å; E844-R946 WeakPolarHBondContact OE1-CD 3.19Å; E844-R946 IonicContact OE1-CZ 2.97Å; E844-R946 IonicContact OE1-NE 3.14Å; E844-R946 IonicContact OE1-NH1 3.74Å; E844-R946 IonicContact OE2-CZ 3.78Å; E844-R946 IonicContact OE2-NH1 3.34Å; E844-R946 PolarHBondContact OE2-NH1 3.14Å; Y941-R946 HydrophobicContact CE2-CB 4.49Å; R946-E948 VanDerWaalsContact C-N 3.33Å; R946-E948 PolarHBondContact O-N 2.9Å; R946-A949 PolarHBondContact O-N 3.32Å; R946-K950 WeakPolarHBondContact O-CB 3.38Å; R946-K950 PolarHBondContact O-N 3.13Å
947I92.5Very high94Very high69 Ų6958.4 Ų58.435%0.35426%0.264SS..Hα-helixtrans-68.9-40.1-169.6-51.2-176.5000109.6K950 T951 L994I947-K950 PolarHBondContact O-N 3.24Å; I947-T951 VanDerWaalsContact O-CB 3.27Å; I947-T951 WeakPolarHBondContact O-CB 3.31Å; I947-T951 PolarHBondContact O-N 3.32Å; I947-T951 PolarHBondContact O-OG1 2.81Å; I947-L994 HydrophobicContact CG2-CD1 4.21Å; I947-L994 HydrophobicContact CG2-CD2 4.18Å; I947-L994 HydrophobicContact CG2-CG 3.7Å
948E94.9Very high93.9Very high66 Ų6661.1 Ų61.131%0.30829%0.293SS..Hα-helixtrans-66.2-40.3176-71.178.2-18000111.6I940 K944 R946 T951 Y952 L994I940-E948 HydrophobicContact CG2-CB 3.61Å; K944-E948 HydrophobicContact CB-CB 3.73Å; K944-E948 HydrophobicContact CB-CG 3.72Å; K944-E948 HydrophobicContact CD-CB 4.32Å; K944-E948 HydrophobicContact CD-CG 4.17Å; R946-E948 VanDerWaalsContact C-N 3.33Å; R946-E948 PolarHBondContact O-N 2.9Å; E948-T951 PolarHBondContact O-N 3.27Å; E948-Y952 VanDerWaalsContact O-CB 3.31Å; E948-Y952 WeakPolarHBondContact O-CB 3.4Å; E948-Y952 PolarHBondContact O-N 3.28Å; E948-L994 HydrophobicContact CG-CD1 3.72Å
949A94.9Very high93.8Very high0 Ų061.3 Ų61.30%030%0.296CS..Hα-helixtrans-67.5-4317700000111.7I840 F937 I940 G945 R946 Y952 W953I840-A949 HydrophobicContact CD1-CB 3.96Å; F937-A949 HydrophobicContact CD2-CB 4.1Å; F937-A949 WeakPolarHBondContact CD2-O 3.49Å; F937-A949 HydrophobicContact CE2-CB 3.88Å; F937-A949 WeakPolarHBondContact CE2-O 3.48Å; F937-A949 HydrophobicContact CZ-CB 4.15Å; I940-A949 HydrophobicContact CB-CB 4.42Å; I940-A949 HydrophobicContact CG2-CB 4.06Å; G945-A949 PolarHBondContact O-N 3.31Å; R946-A949 PolarHBondContact O-N 3.32Å; A949-Y952 PolarHBondContact O-N 2.95Å; A949-W953 PolarHBondContact O-N 2.88Å
950K94.6Very high93.9Very high11 Ų1159 Ų595%0.04829%0.286CS..Hα-helixtrans-61.9-44.9172.9-172.9-179.3-176.5179.90111.2I840 E929 R946 I947 Y952 W953 H954 L993I840-K950 HydrophobicContact CD1-CB 4.11Å; E929-K950 VanDerWaalsContact OE1-CE 3.27Å; E929-K950 WeakPolarHBondContact OE1-CE 3.37Å; E929-K950 IonicContact OE1-NZ 2.69Å; E929-K950 WeakPolarHBondContact OE2-CE 3.25Å; E929-K950 IonicContact OE2-NZ 3.28Å; E929-K950 PolarHBondContact OE2-NZ 3.49Å; R946-K950 WeakPolarHBondContact O-CB 3.38Å; R946-K950 PolarHBondContact O-N 3.13Å; I947-K950 PolarHBondContact O-N 3.24Å; K950-Y952 VanDerWaalsContact C-N 3.34Å; K950-Y952 PolarHBondContact O-N 2.68Å; K950-W953 HydrophobicContact CG-CE3 4.36Å; K950-W953 PolarHBondContact O-N 3.28Å; K950-H954 WeakPolarHBondContact O-CB 3.44Å; K950-H954 PolarHBondContact O-N 2.99Å; K950-L993 HydrophobicContact CD-CD2 4.16Å; K950-L993 HydrophobicContact CG-CD2 4.13Å
951T95Very high94Very high13 Ų1358 Ų588%0.0828%0.28CS..Hα-helixtrans-63.2-40.8178.7-58.30000111.3I947 E948 H954 R955 L994I947-T951 VanDerWaalsContact O-CB 3.27Å; I947-T951 WeakPolarHBondContact O-CB 3.31Å; I947-T951 PolarHBondContact O-N 3.32Å; I947-T951 PolarHBondContact O-OG1 2.81Å; E948-T951 PolarHBondContact O-N 3.27Å; T951-H954 PolarHBondContact O-N 3.16Å; T951-R955 HydrophobicContact CG2-CG 4.21Å; T951-R955 WeakPolarHBondContact O-CB 3.2Å; T951-R955 WeakPolarHBondContact O-CG 3.34Å; T951-R955 PolarHBondContact O-N 3.08Å; T951-L994 HydrophobicContact CG2-CB 4.23Å; T951-L994 PolarHBondContact OG1-N 3.06Å
952Y96.1Very high94.1Very high26 Ų2657.7 Ų57.710%0.10228%0.279CS..Hα-helixtrans-59.9-50.8173166.5-104.8000111.8D934 K936 F937 I940 E948 A949 K950 H954 R955 E956 L957D934-Y952 WeakPolarHBondContact OD1-CE1 3.44Å; D934-Y952 PolarHBondContact OD2-OH 3.32Å; D934-Y952 VanDerWaalsContact OD2-OH 3.08Å; K936-Y952 HydrophobicContact CB-CE1 4.01Å; K936-Y952 HydrophobicContact CD-CD2 4.44Å; K936-Y952 HydrophobicContact CD-CE1 4.46Å; K936-Y952 HydrophobicContact CD-CE2 3.61Å; K936-Y952 HydrophobicContact CG-CE1 4.01Å; K936-Y952 HydrophobicContact CG-CE2 3.97Å; F937-Y952 HydrophobicContact CB-CD1 4.18Å; F937-Y952 HydrophobicContact CB-CE1 4.15Å; I940-Y952 HydrophobicContact CD1-CD1 3.88Å; I940-Y952 HydrophobicContact CD1-CD2 3.73Å; I940-Y952 HydrophobicContact CD1-CE2 4.47Å; I940-Y952 HydrophobicContact CD1-CG 3.42Å; I940-Y952 VanDerWaalsContact CD1-CG 3.42Å; E948-Y952 VanDerWaalsContact O-CB 3.31Å; E948-Y952 WeakPolarHBondContact O-CB 3.4Å; E948-Y952 PolarHBondContact O-N 3.28Å; A949-Y952 PolarHBondContact O-N 2.95Å; K950-Y952 VanDerWaalsContact C-N 3.34Å; K950-Y952 PolarHBondContact O-N 2.68Å; Y952-H954 VanDerWaalsContact C-N 3.28Å; Y952-H954 PolarHBondContact O-N 3.19Å; Y952-R955 PolarHBondContact O-N 2.69Å; Y952-E956 HydrophobicContact CD2-CB 3.66Å; Y952-E956 HydrophobicContact CD2-CG 3.49Å; Y952-E956 VanDerWaalsContact CD2-CG 3.49Å; Y952-E956 HydrophobicContact CE2-CB 3.43Å; Y952-E956 VanDerWaalsContact CE2-CB 3.43Å; Y952-E956 HydrophobicContact CE2-CG 3.64Å; Y952-E956 VanDerWaalsContact O-CB 3.3Å; Y952-E956 WeakPolarHBondContact O-CB 3.3Å; Y952-E956 PolarHBondContact O-N 3.47Å; Y952-L957 HydrophobicContact CE1-CD1 3.83Å; Y952-L957 HydrophobicContact CE1-CG 4.04Å
953W95.4Very high94.3Very high10 Ų1050.8 Ų50.84%0.03825%0.253CS..Hα-helixtrans-58.2-42.2177.2163.378.8000111.8E929 V930 I931 F937 A949 K950 L957 G958 G959 M960 T961E929-W953 HydrophobicContact CG-CH2 3.53Å; E929-W953 HydrophobicContact CG-CZ2 4.37Å; E929-W953 HydrophobicContact CG-CZ3 4.01Å; V930-W953 WeakPolarHBondContact O-CZ2 3.47Å; I931-W953 HydrophobicContact CD1-CD2 4.33Å; I931-W953 HydrophobicContact CD1-CE3 4.39Å; I931-W953 HydrophobicContact CG1-CD2 3.94Å; I931-W953 HydrophobicContact CG1-CE3 4.31Å; I931-W953 HydrophobicContact CG1-CG 4.42Å; I931-W953 HydrophobicContact CG1-CH2 4.29Å; I931-W953 HydrophobicContact CG1-CZ2 3.94Å; I931-W953 HydrophobicContact CG1-CZ3 4.48Å; I931-W953 HydrophobicContact CG2-CD2 4.46Å; I931-W953 HydrophobicContact CG2-CG 4.08Å; F937-W953 HydrophobicContact CD2-CB 3.93Å; F937-W953 HydrophobicContact CE2-CB 4.06Å; A949-W953 PolarHBondContact O-N 2.88Å; K950-W953 HydrophobicContact CG-CE3 4.36Å; K950-W953 PolarHBondContact O-N 3.28Å; W953-L957 CarbonylContact O-C 3.48Å; W953-L957 WeakPolarHBondContact O-CA 3.43Å; W953-L957 WeakPolarHBondContact O-CB 2.94Å; W953-L957 PolarHBondContact O-N 3.49Å; W953-G958 PolarHBondContact O-N 2.95Å; W953-G959 PolarHBondContact O-N 3.11Å; W953-M960 VanDerWaalsContact CH2-C 3.46Å; W953-M960 VanDerWaalsContact CH2-O 3.28Å; W953-M960 WeakPolarHBondContact CH2-O 3.3Å; W953-T961 HydrophobicContact CZ3-CG2 4.28Å
954H95.4Very high94.4Very high39 Ų3948.2 Ų48.218%0.18124%0.241CC..Hα-helixtrans-65.3-53.9178.3-18045.7000112.1K950 T951 Y952 G958 G959 Q964 L993K950-H954 WeakPolarHBondContact O-CB 3.44Å; K950-H954 PolarHBondContact O-N 2.99Å; T951-H954 PolarHBondContact O-N 3.16Å; Y952-H954 VanDerWaalsContact C-N 3.28Å; Y952-H954 PolarHBondContact O-N 3.19Å; H954-G958 WeakPolarHBondContact O-CA 3.43Å; H954-G958 PolarHBondContact O-N 2.99Å; H954-G959 PolarHBondContact ND1-O 2.73Å; H954-G959 PolarHBondContact O-N 3.05Å; H954-Q964 VanDerWaalsContact CE1-CD 3.5Å; H954-Q964 PolarHBondContact CE1-NE2 3.13Å; H954-Q964 PolarHBondContact CE1-OE1 3.21Å; H954-Q964 PolarHBondContact NE2-NE2 3.23Å; H954-L993 HydrophobicContact CB-CD2 4.46Å
955R94.6Very high94.6Very high128 Ų12842.3 Ų42.348%0.48322%0.216SC..Hα-helixtrans-78.9-39.7-170.9-66.8-176.2177.8-165.1-10.2114.1T951 Y952 L994 H995T951-R955 HydrophobicContact CG2-CG 4.21Å; T951-R955 WeakPolarHBondContact O-CB 3.2Å; T951-R955 WeakPolarHBondContact O-CG 3.34Å; T951-R955 PolarHBondContact O-N 3.08Å; Y952-R955 PolarHBondContact O-N 2.69Å; R955-L994 PolarHBondContact NH2-O 2.97Å; R955-H995 VanDerWaalsContact CZ-OXT 3.24Å; R955-H995 PolarHBondContact NH1-OXT 3.22Å; R955-H995 VanDerWaalsContact NH2-C 3.3Å; R955-H995 VanDerWaalsContact NH2-CA 3.32Å; R955-H995 PolarHBondContact NH2-OXT 2.66Å
956E94.7Very high94.9Very high132 Ų13241 Ų4162%0.61720%0.202SC*.Hα-helixtrans-100.1-31.1-171-57.7-66.8150.700112.6Y952Y952-E956 HydrophobicContact CD2-CB 3.66Å; Y952-E956 HydrophobicContact CD2-CG 3.49Å; Y952-E956 VanDerWaalsContact CD2-CG 3.49Å; Y952-E956 HydrophobicContact CE2-CB 3.43Å; Y952-E956 VanDerWaalsContact CE2-CB 3.43Å; Y952-E956 HydrophobicContact CE2-CG 3.64Å; Y952-E956 VanDerWaalsContact O-CB 3.3Å; Y952-E956 WeakPolarHBondContact O-CB 3.3Å; Y952-E956 PolarHBondContact O-N 3.47Å
957L92.9Very high95.2Very high74 Ų7438 Ų3839%0.38719%0.193SC..SBendtrans-99.60.9178.5-56.1-179.8000113.1Y952 W953 G959Y952-L957 HydrophobicContact CE1-CD1 3.83Å; Y952-L957 HydrophobicContact CE1-CG 4.04Å; W953-L957 CarbonylContact O-C 3.48Å; W953-L957 WeakPolarHBondContact O-CA 3.43Å; W953-L957 WeakPolarHBondContact O-CB 2.94Å; W953-L957 PolarHBondContact O-N 3.49Å; L957-G959 VanDerWaalsContact C-N 3.26Å; L957-G959 PolarHBondContact O-N 3.39Å
958G93.4Very high95.3Very high58 Ų5836.8 Ų36.860%0.59820%0.198SC*.  trans65.529.5-179.100000113.2W953 H954W953-G958 PolarHBondContact O-N 2.95Å; H954-G958 WeakPolarHBondContact O-CA 3.43Å; H954-G958 PolarHBondContact O-N 2.99Å
959G93.9Very high95.4Very high7 Ų734.4 Ų34.47%0.07219%0.187CC..  trans-63135.318000000113W953 H954 L957W953-G959 PolarHBondContact O-N 3.11Å; H954-G959 PolarHBondContact ND1-O 2.73Å; H954-G959 PolarHBondContact O-N 3.05Å; L957-G959 VanDerWaalsContact C-N 3.26Å; L957-G959 PolarHBondContact O-N 3.39Å
960M96Very high95.5Very high37 Ų3734.4 Ų34.418%0.18219%0.187CC..  trans-95.1112.6177178.1-177.3-66.500111H707 W953 Q964 H965H707-M960 HydrophobicContact CB-CE 4.26Å; H707-M960 HydrophobicContact CB-SD 3.92Å; H707-M960 WeakPolarHBondContact ND1-CE 3.4Å; W953-M960 VanDerWaalsContact CH2-C 3.46Å; W953-M960 VanDerWaalsContact CH2-O 3.28Å; W953-M960 WeakPolarHBondContact CH2-O 3.3Å; M960-Q964 HydrophobicContact CG-CB 4.05Å; M960-H965 HydrophobicContact CG-CB 4.27Å; M960-H965 HydrophobicContact SD-CB 3.9Å
961T95.9Very high95.5Very high0 Ų035.8 Ų35.80%020%0.195CC..  trans-63.9160.3177.969.10000111.5E929 W953 N963 Q964 H965 D989 L993E929-T961 WeakPolarHBondContact OE2-CA 3.42Å; W953-T961 HydrophobicContact CZ3-CG2 4.28Å; T961-N963 PolarHBondContact O-N 2.73Å; T961-Q964 PolarHBondContact O-N 2.81Å; T961-Q964 WeakPolarHBondContact OG1-CB 3.23Å; T961-Q964 VanDerWaalsContact OG1-CG 3.29Å; T961-Q964 WeakPolarHBondContact OG1-CG 3.31Å; T961-Q964 PolarHBondContact OG1-N 2.98Å; T961-H965 PolarHBondContact O-N 2.81Å; T961-D989 WeakPolarHBondContact CB-OD1 3.44Å; T961-D989 WeakPolarHBondContact CB-OD2 3.46Å; T961-D989 WeakPolarHBondContact CG2-OD2 3.3Å; T961-D989 PolarHBondContact OG1-OD1 3.14Å; T961-D989 PolarHBondContact OG1-OD2 2.88Å; T961-L993 HydrophobicContact CG2-CD1 4.19Å
962R95.6Very high95.5Very high12 Ų1237.9 Ų37.95%0.04521%0.21CC..Hα-helixtrans-57.9-39.5172.3-178.8173.362.8-142.1-1.8111.5N837 I927 E929 H965 L966 S984 E988N837-R962 PolarHBondContact O-NH1 2.84Å; I927-R962 HydrophobicContact CB-CG 4.24Å; I927-R962 HydrophobicContact CD1-CG 4.01Å; I927-R962 HydrophobicContact CG1-CG 4.09Å; E929-R962 HydrophobicContact CB-CB 4.06Å; E929-R962 PolarHBondContact OE2-N 3.46Å; E929-R962 VanDerWaalsContact OE2-N 3.15Å; R962-H965 PolarHBondContact O-N 2.94Å; R962-L966 PolarHBondContact O-N 2.93Å; R962-S984 PolarHBondContact NE-OG 3.05Å; R962-E988 IonicContact CZ-OE1 3.23Å; R962-E988 IonicContact CZ-OE2 2.92Å; R962-E988 IonicContact NE-OE2 3.04Å; R962-E988 PolarHBondContact NE-OE2 3.14Å; R962-E988 VanDerWaalsContact NH2-CD 3.34Å; R962-E988 IonicContact NH2-OE1 2.75Å; R962-E988 PolarHBondContact NH2-OE1 3.32Å; R962-E988 IonicContact NH2-OE2 3.29Å; R962-E988 PolarHBondContact NH2-OE2 3.42Å; R962-E988 VanDerWaalsContact NH2-OE2 3.14Å
963N95.7Very high95.4Very high6 Ų636.7 Ų36.73%0.03221%0.205CC..Hα-helixtrans-65.4-44.5178.8179.6-94.9000111.7T961 H965 L966 L967 P985 V986 E988 D989T961-N963 PolarHBondContact O-N 2.73Å; N963-H965 VanDerWaalsContact C-N 3.31Å; N963-H965 PolarHBondContact O-N 2.67Å; N963-L966 CarbonylContact O-C 3.52Å; N963-L966 WeakPolarHBondContact O-CA 3.33Å; N963-L966 WeakPolarHBondContact O-CB 3.4Å; N963-L966 PolarHBondContact O-N 3.32Å; N963-L966 VanDerWaalsContact O-N 3.09Å; N963-L967 WeakPolarHBondContact O-CG 3.39Å; N963-L967 PolarHBondContact O-N 2.86Å; N963-L967 WeakPolarHBondContact OD1-CD1 3.43Å; N963-P985 PolarHBondContact ND2-O 2.85Å; N963-V986 PolarHBondContact ND2-O 3.16Å; N963-E988 HydrophobicContact CB-CB 4.22Å; N963-D989 HydrophobicContact CB-CB 4.41Å; N963-D989 WeakPolarHBondContact CB-OD1 3.23Å
964Q95.8Very high95.5Very high69 Ų6940.4 Ų40.432%0.32222%0.223SC..Hα-helixtrans-60.9-39.8174.1-76.7170.8-10.300112.6H954 M960 T961 L966 L967 G968H954-Q964 VanDerWaalsContact CE1-CD 3.5Å; H954-Q964 PolarHBondContact CE1-NE2 3.13Å; H954-Q964 PolarHBondContact CE1-OE1 3.21Å; H954-Q964 PolarHBondContact NE2-NE2 3.23Å; M960-Q964 HydrophobicContact CG-CB 4.05Å; T961-Q964 PolarHBondContact O-N 2.81Å; T961-Q964 WeakPolarHBondContact OG1-CB 3.23Å; T961-Q964 VanDerWaalsContact OG1-CG 3.29Å; T961-Q964 WeakPolarHBondContact OG1-CG 3.31Å; T961-Q964 PolarHBondContact OG1-N 2.98Å; Q964-L966 VanDerWaalsContact C-N 3.34Å; Q964-L967 PolarHBondContact O-N 3.47Å; Q964-G968 PolarHBondContact O-N 2.94Å
965H97.2Very high95.5Very high10 Ų1038.7 Ų38.75%0.04622%0.215CC..Hα-helixtrans-64-40.6174.2-170.5-175.5000111.4G705 Q710 V926 A928 M960 T961 R962 N963 G968 K969G705-H965 PolarHBondContact O-CE1 2.83Å; G705-H965 PolarHBondContact O-NE2 3.18Å; G705-H965 VanDerWaalsContact O-NE2 3.08Å; Q710-H965 PolarHBondContact OE1-CE1 2.92Å; Q710-H965 PolarHBondContact OE1-ND1 3.12Å; Q710-H965 VanDerWaalsContact OE1-ND1 3.09Å; V926-H965 PolarHBondContact O-CE1 2.97Å; A928-H965 PolarHBondContact N-ND1 3.18Å; A928-H965 VanDerWaalsContact N-ND1 3.15Å; A928-H965 PolarHBondContact O-ND1 3.41Å; M960-H965 HydrophobicContact CG-CB 4.27Å; M960-H965 HydrophobicContact SD-CB 3.9Å; T961-H965 PolarHBondContact O-N 2.81Å; R962-H965 PolarHBondContact O-N 2.94Å; N963-H965 VanDerWaalsContact C-N 3.31Å; N963-H965 PolarHBondContact O-N 2.67Å; H965-G968 PolarHBondContact O-N 3.49Å; H965-K969 VanDerWaalsContact NE2-CE 3.31Å; H965-K969 WeakPolarHBondContact NE2-CE 3.28Å; H965-K969 PolarHBondContact O-N 2.64Å
966L97.4Very high95.6Very high0 Ų033.1 Ų33.10%020%0.195CC..Hα-helixtrans-62.2-49.9173.5171.460.8000112V871 I927 R962 N963 Q964 G968 K969 I970 V975 A980 S984 V986V871-L966 HydrophobicContact CG1-CD1 4.33Å; I927-L966 HydrophobicContact CD1-CB 4.22Å; I927-L966 HydrophobicContact CD1-CD1 4.46Å; I927-L966 HydrophobicContact CD1-CD2 4.46Å; I927-L966 HydrophobicContact CG2-CB 4.1Å; I927-L966 HydrophobicContact CG2-CD1 4.27Å; R962-L966 PolarHBondContact O-N 2.93Å; N963-L966 CarbonylContact O-C 3.52Å; N963-L966 WeakPolarHBondContact O-CA 3.33Å; N963-L966 WeakPolarHBondContact O-CB 3.4Å; N963-L966 PolarHBondContact O-N 3.32Å; N963-L966 VanDerWaalsContact O-N 3.09Å; Q964-L966 VanDerWaalsContact C-N 3.34Å; L966-G968 VanDerWaalsContact C-N 3.27Å; L966-G968 PolarHBondContact O-N 3.31Å; L966-K969 WeakPolarHBondContact O-CA 3.38Å; L966-K969 WeakPolarHBondContact O-CB 3.43Å; L966-K969 PolarHBondContact O-N 3.08Å; L966-I970 HydrophobicContact CD1-CD1 3.81Å; L966-I970 HydrophobicContact CD1-CG1 4.03Å; L966-I970 HydrophobicContact CD2-CD1 4.28Å; L966-I970 HydrophobicContact CG-CD1 3.68Å; L966-I970 HydrophobicContact CG-CG1 4.36Å; L966-I970 PolarHBondContact O-N 3.22Å; L966-V975 HydrophobicContact CD1-CG1 4.02Å; L966-A980 HydrophobicContact CD1-CB 3.71Å; L966-A980 HydrophobicContact CD2-CB 4.18Å; L966-S984 WeakPolarHBondContact CD2-O 3.31Å; L966-V986 HydrophobicContact CD2-CG2 4.39Å
967L96.7Very high95.7Very high30 Ų3026.9 Ų26.916%0.15717%0.166CC..Hα-helixtrans-58.2-39.9178.6-71.6176.2000111.5F900 N963 Q964 K969 I970 N971 V986F900-L967 WeakPolarHBondContact O-CD2 3.23Å; N963-L967 WeakPolarHBondContact O-CG 3.39Å; N963-L967 PolarHBondContact O-N 2.86Å; N963-L967 WeakPolarHBondContact OD1-CD1 3.43Å; Q964-L967 PolarHBondContact O-N 3.47Å; L967-K969 VanDerWaalsContact C-N 3.26Å; L967-K969 PolarHBondContact O-N 3.47Å; L967-I970 HydrophobicContact CD2-CD1 4.42Å; L967-I970 PolarHBondContact O-N 3.24Å; L967-N971 VanDerWaalsContact O-CB 3.31Å; L967-N971 WeakPolarHBondContact O-CB 3.34Å; L967-N971 PolarHBondContact O-N 3.36Å; L967-N971 PolarHBondContact O-ND2 2.9Å; L967-V986 HydrophobicContact CD2-CG1 3.79Å
968G95.9Very high95.8Very high45 Ų4524.1 Ų24.146%0.46415%0.152SC..Hα-helixtrans-57.4-37.8173.300000113Q964 H965 L966 S972Q964-G968 PolarHBondContact O-N 2.94Å; H965-G968 PolarHBondContact O-N 3.49Å; L966-G968 VanDerWaalsContact C-N 3.27Å; L966-G968 PolarHBondContact O-N 3.31Å; G968-S972 WeakPolarHBondContact O-CB 3.4Å; G968-S972 PolarHBondContact O-N 3.31Å
969K97.1Very high95.8Very high15 Ų1523 Ų237%0.06514%0.137CC..Hα-helixtrans-76.7-39.7177.6-68.2-172.2174.8-177.90113.1G705 T925 V926 I927 H965 L966 L967 S972 G973 Q974 V975G705-K969 PolarHBondContact O-NZ 2.72Å; T925-K969 HydrophobicContact CG2-CD 3.72Å; T925-K969 PolarHBondContact OG1-NZ 3.32Å; V926-K969 PolarHBondContact O-NZ 3Å; I927-K969 HydrophobicContact CG2-CD 4.18Å; H965-K969 VanDerWaalsContact NE2-CE 3.31Å; H965-K969 WeakPolarHBondContact NE2-CE 3.28Å; H965-K969 PolarHBondContact O-N 2.64Å; L966-K969 WeakPolarHBondContact O-CA 3.38Å; L966-K969 WeakPolarHBondContact O-CB 3.43Å; L966-K969 PolarHBondContact O-N 3.08Å; L967-K969 VanDerWaalsContact C-N 3.26Å; L967-K969 PolarHBondContact O-N 3.47Å; K969-S972 WeakPolarHBondContact CA-OG 2.98Å; K969-S972 PolarHBondContact O-N 3.21Å; K969-S972 PolarHBondContact O-OG 2.81Å; K969-G973 PolarHBondContact O-N 3.06Å; K969-Q974 PolarHBondContact O-N 3.08Å; K969-Q974 VanDerWaalsContact O-N 3.14Å; K969-V975 HydrophobicContact CB-CB 4.34Å; K969-V975 HydrophobicContact CB-CG2 3.75Å; K969-V975 HydrophobicContact CD-CG2 4.47Å
970I97.1Very high95.9Very high0 Ų022.9 Ų22.90%014%0.135CC..Hα-helixtrans-58.9-50.9173.2-69.1165.2000109.8C901 V906 L966 L967 S972 G973 V975 P977 V986C901-I970 HydrophobicContact CB-CG2 4.21Å; V906-I970 HydrophobicContact CG2-CG2 3.87Å; L966-I970 HydrophobicContact CD1-CD1 3.81Å; L966-I970 HydrophobicContact CD1-CG1 4.03Å; L966-I970 HydrophobicContact CD2-CD1 4.28Å; L966-I970 HydrophobicContact CG-CD1 3.68Å; L966-I970 HydrophobicContact CG-CG1 4.36Å; L966-I970 PolarHBondContact O-N 3.22Å; L967-I970 HydrophobicContact CD2-CD1 4.42Å; L967-I970 PolarHBondContact O-N 3.24Å; I970-S972 PolarHBondContact O-N 3.14Å; I970-S972 VanDerWaalsContact O-N 3.16Å; I970-G973 WeakPolarHBondContact O-CA 3.45Å; I970-G973 PolarHBondContact O-N 3Å; I970-V975 HydrophobicContact CG1-CB 4.19Å; I970-V975 HydrophobicContact CG1-CG1 4.2Å; I970-P977 HydrophobicContact CD1-CB 3.94Å; I970-P977 HydrophobicContact CG1-CB 4.34Å; I970-P977 HydrophobicContact CG2-CB 4.03Å; I970-P977 HydrophobicContact CG2-CG 4.32Å; I970-V986 HydrophobicContact CD1-CG2 4.14Å
971N94.3Very high95.8Very high41 Ų4123.9 Ų23.922%0.21914%0.139CC..THydrogen-bonded Turntrans-71.6-7.3-179.2-63.1-26000113.4Q902 A905 L967Q902-N971 PolarHBondContact N-OD1 3.23Å; A905-N971 VanDerWaalsContact CB-O 3.3Å; A905-N971 WeakPolarHBondContact CB-O 3.35Å; L967-N971 VanDerWaalsContact O-CB 3.31Å; L967-N971 WeakPolarHBondContact O-CB 3.34Å; L967-N971 PolarHBondContact O-N 3.36Å; L967-N971 PolarHBondContact O-ND2 2.9Å
972S94.4Very high95.6Very high57 Ų5733.6 Ų33.640%0.39918%0.177SC..THydrogen-bonded Turntrans-92.91167.875.20000113.1G968 K969 I970 Q974G968-S972 WeakPolarHBondContact O-CB 3.4Å; G968-S972 PolarHBondContact O-N 3.31Å; K969-S972 WeakPolarHBondContact CA-OG 2.98Å; K969-S972 PolarHBondContact O-N 3.21Å; K969-S972 PolarHBondContact O-OG 2.81Å; I970-S972 PolarHBondContact O-N 3.14Å; I970-S972 VanDerWaalsContact O-N 3.16Å; S972-Q974 VanDerWaalsContact C-N 3.26Å; S972-Q974 PolarHBondContact O-N 2.8Å; S972-Q974 VanDerWaalsContact OG-CD 3.3Å; S972-Q974 VanDerWaalsContact OG-CG 3.23Å; S972-Q974 WeakPolarHBondContact OG-CG 3.35Å; S972-Q974 PolarHBondContact OG-NE2 3.09Å
973G94.7Very high95.4Very high0 Ų036.4 Ų36.40%019%0.192CC..THydrogen-bonded Turntrans70.315.4-176.800000114.7R879 K969 I970R879-G973 PolarHBondContact NH1-O 2.78Å; K969-G973 PolarHBondContact O-N 3.06Å; I970-G973 WeakPolarHBondContact O-CA 3.45Å; I970-G973 PolarHBondContact O-N 3Å
974Q96.2Very high95.3Very high89 Ų8936.1 Ų36.142%0.41619%0.191SC..SBendtrans-87.3-22.7-177.1-69.9177.429.700113.5V873 I874 K969 S972V873-Q974 WeakPolarHBondContact CA-O 3.34Å; I874-Q974 PolarHBondContact N-O 3.23Å; K969-Q974 PolarHBondContact O-N 3.08Å; K969-Q974 VanDerWaalsContact O-N 3.14Å; S972-Q974 VanDerWaalsContact C-N 3.26Å; S972-Q974 PolarHBondContact O-N 2.8Å; S972-Q974 VanDerWaalsContact OG-CD 3.3Å; S972-Q974 VanDerWaalsContact OG-CG 3.23Å; S972-Q974 WeakPolarHBondContact OG-CG 3.35Å; S972-Q974 PolarHBondContact OG-NE2 3.09Å
975V97.3Very high95.2Very high2 Ų234.6 Ų34.61%0.01219%0.187CC..SBendtrans-133.9135.8-170.6176.90000109.4V871 T925 L966 K969 I970 A980V871-V975 HydrophobicContact CB-CG1 4.26Å; V871-V975 HydrophobicContact CG2-CG1 4.14Å; V871-V975 HydrophobicContact CG2-CG2 3.8Å; T925-V975 HydrophobicContact CG2-CG2 4.42Å; L966-V975 HydrophobicContact CD1-CG1 4.02Å; K969-V975 HydrophobicContact CB-CB 4.34Å; K969-V975 HydrophobicContact CB-CG2 3.75Å; K969-V975 HydrophobicContact CD-CG2 4.47Å; I970-V975 HydrophobicContact CG1-CB 4.19Å; I970-V975 HydrophobicContact CG1-CG1 4.2Å; V975-A980 HydrophobicContact CG1-CB 3.68Å
976D96.3Very high95.1Very high12 Ų1234.1 Ų34.16%0.06418%0.184CC..  trans-75.5120.7172.3179.5-37.9000109.6I874 L908 R909 L978 A979 A980I874-D976 HydrophobicContact CG2-CB 3.86Å; L908-D976 WeakPolarHBondContact CA-OD2 3.43Å; R909-D976 HydrophobicContact CB-CB 4.43Å; R909-D976 PolarHBondContact N-OD2 2.75Å; D976-L978 VanDerWaalsContact C-N 3.32Å; D976-L978 PolarHBondContact O-N 2.91Å; D976-L978 WeakPolarHBondContact OD1-CA 3.23Å; D976-L978 WeakPolarHBondContact OD1-CB 3.39Å; D976-L978 PolarHBondContact OD1-N 3.44Å; D976-A979 HydrophobicContact CB-CB 3.96Å; D976-A979 PolarHBondContact OD1-N 3.35Å; D976-A980 VanDerWaalsContact O-CB 3.23Å; D976-A980 WeakPolarHBondContact O-CB 3.48Å; D976-A980 PolarHBondContact O-N 3.39Å
977P96.4Very high94.9Very high0 Ų036.1 Ų36.10%020%0.195CC..Hα-helixtrans-62.8-35.8-178.224.8-33.9000113.2V897 V906 L908 I970 A980 H981 V986V897-P977 HydrophobicContact CG2-CB 4.33Å; V897-P977 HydrophobicContact CG2-CG 3.89Å; V906-P977 HydrophobicContact CG1-CG 3.64Å; L908-P977 HydrophobicContact CD2-CG 4.09Å; I970-P977 HydrophobicContact CD1-CB 3.94Å; I970-P977 HydrophobicContact CG1-CB 4.34Å; I970-P977 HydrophobicContact CG2-CB 4.03Å; I970-P977 HydrophobicContact CG2-CG 4.32Å; P977-A980 PolarHBondContact O-N 3.32Å; P977-H981 WeakPolarHBondContact O-CB 3.12Å; P977-H981 PolarHBondContact O-N 2.81Å; P977-V986 HydrophobicContact CB-CG2 4.44Å; P977-V986 WeakPolarHBondContact O-CG2 3.41Å
978L94.8Very high94.8Very high17 Ų1735.9 Ų35.99%0.08919%0.193CC..Hα-helixtrans-73.5-42.9-177.2-56.4-177.2000110.5E893 L896 V897 L908 D976 A980 H981 Y982E893-L978 HydrophobicContact CB-CD1 4.28Å; E893-L978 HydrophobicContact CB-CD2 3.9Å; E893-L978 HydrophobicContact CG-CD1 4.19Å; E893-L978 HydrophobicContact CG-CD2 3.96Å; L896-L978 HydrophobicContact CD2-CD2 4.36Å; V897-L978 HydrophobicContact CG2-CD2 4.01Å; L908-L978 HydrophobicContact CD1-CD1 4.12Å; L908-L978 HydrophobicContact CD2-CD1 4.27Å; L908-L978 HydrophobicContact CD2-CG 4.28Å; D976-L978 VanDerWaalsContact C-N 3.32Å; D976-L978 PolarHBondContact O-N 2.91Å; D976-L978 WeakPolarHBondContact OD1-CA 3.23Å; D976-L978 WeakPolarHBondContact OD1-CB 3.39Å; D976-L978 PolarHBondContact OD1-N 3.44Å; L978-A980 VanDerWaalsContact C-N 3.35Å; L978-H981 PolarHBondContact O-N 3.02Å; L978-Y982 VanDerWaalsContact O-CD2 3.23Å; L978-Y982 WeakPolarHBondContact O-CD2 3.32Å
979A93.6Very high94.7Very high35 Ų3534.7 Ų34.729%0.28918%0.176SC..Hα-helixtrans-65.7-39.4173.800000111.7D976D976-A979 HydrophobicContact CB-CB 3.96Å; D976-A979 PolarHBondContact OD1-N 3.35Å
980A94.9Very high94.4Very high3 Ų336.3 Ų36.33%0.02519%0.19CC..Hα-helixtrans-69.5-31.3179.100000113.4V871 L966 V975 D976 P977 L978 Y982 I983 S984V871-A980 HydrophobicContact CG1-CB 4.33Å; L966-A980 HydrophobicContact CD1-CB 3.71Å; L966-A980 HydrophobicContact CD2-CB 4.18Å; V975-A980 HydrophobicContact CG1-CB 3.68Å; D976-A980 VanDerWaalsContact O-CB 3.23Å; D976-A980 WeakPolarHBondContact O-CB 3.48Å; D976-A980 PolarHBondContact O-N 3.39Å; P977-A980 PolarHBondContact O-N 3.32Å; L978-A980 VanDerWaalsContact C-N 3.35Å; A980-Y982 PolarHBondContact O-N 2.99Å; A980-I983 WeakPolarHBondContact O-CA 3.49Å; A980-I983 WeakPolarHBondContact O-CB 3.37Å; A980-I983 PolarHBondContact O-N 3.11Å; A980-S984 PolarHBondContact O-N 3.25Å; A980-S984 VanDerWaalsContact O-O 3.09Å
981H95Very high94.1Very high59 Ų5942.7 Ų42.727%0.27321%0.214SC..Hα-helixtrans-55.8-35.1179.5-173.985.8000112.6L896 P977 L978 I983 S984 V986 D987L896-H981 HydrophobicContact CD2-CB 4.11Å; L896-H981 WeakPolarHBondContact CD2-ND1 3.32Å; P977-H981 WeakPolarHBondContact O-CB 3.12Å; P977-H981 PolarHBondContact O-N 2.81Å; L978-H981 PolarHBondContact O-N 3.02Å; H981-I983 PolarHBondContact O-N 3.23Å; H981-S984 CarbonylContact O-C 3.44Å; H981-V986 HydrophobicContact CB-CG2 4.04Å; H981-V986 PolarHBondContact ND1-N 3.32Å; H981-D987 IonicContact CE1-OD1 3.64Å
982Y91.6Very high93.9Very high204 Ų20442.5 Ų42.580%0.822%0.215SC*.THydrogen-bonded Turntrans-69.8-14.5175.6-68.1-78.7000114.5L978 A980L978-Y982 VanDerWaalsContact O-CD2 3.23Å; L978-Y982 WeakPolarHBondContact O-CD2 3.32Å; A980-Y982 PolarHBondContact O-N 2.99Å
983I91.8Very high93.7Very high71 Ų7140.8 Ų40.836%0.36420%0.201SC..THydrogen-bonded Turntrans-104.6-44.1-179.1-58.9174.7000110.8R869 V871 A980 H981R869-I983 HydrophobicContact CB-CG2 3.97Å; R869-I983 HydrophobicContact CG-CG2 4.41Å; V871-I983 HydrophobicContact CG1-CB 4.43Å; V871-I983 HydrophobicContact CG1-CD1 4.3Å; V871-I983 HydrophobicContact CG1-CG2 4.22Å; A980-I983 WeakPolarHBondContact O-CA 3.49Å; A980-I983 WeakPolarHBondContact O-CB 3.37Å; A980-I983 PolarHBondContact O-N 3.11Å; H981-I983 PolarHBondContact O-N 3.23Å
984S92.9Very high93.4Very high0 Ų044.2 Ų44.20%022%0.219CC..SBendtrans-146.5115175.4-159.40000107.1R962 L966 A980 H981 V986 E988R962-S984 PolarHBondContact NE-OG 3.05Å; L966-S984 WeakPolarHBondContact CD2-O 3.31Å; A980-S984 PolarHBondContact O-N 3.25Å; A980-S984 VanDerWaalsContact O-O 3.09Å; H981-S984 CarbonylContact O-C 3.44Å; S984-V986 PolarHBondContact O-N 2.89Å; S984-E988 PolarHBondContact OG-OE2 3.08Å; S984-E988 VanDerWaalsContact OG-OE2 3.04Å
985P94Very high92.3Very high36 Ų3649 Ų4923%0.23424%0.241CC..  trans-55.9132.3-177.2-27.536000111.6N963 D987 E988 Y991N963-P985 PolarHBondContact ND2-O 2.85Å; P985-D987 WeakPolarHBondContact CB-OD1 3.45Å; P985-D987 PolarHBondContact O-N 2.86Å; P985-E988 HydrophobicContact CB-CB 4.21Å; P985-E988 WeakPolarHBondContact O-CB 3.31Å; P985-E988 PolarHBondContact O-N 2.87Å; P985-E988 VanDerWaalsContact O-N 3.14Å; P985-Y991 WeakPolarHBondContact CB-OH 3.27Å; P985-Y991 WeakPolarHBondContact CG-OH 3.2Å
986V94.5Very high92.1Very high0 Ų051.4 Ų51.40%025%0.253CS..THydrogen-bonded Turntrans-65.6-20.2-178.6176.90000111.9L896 F900 N963 L966 L967 I970 P977 H981 S984L896-V986 HydrophobicContact CD1-CB 4.23Å; L896-V986 HydrophobicContact CD2-CB 4.44Å; L896-V986 HydrophobicContact CG-CB 4.33Å; F900-V986 HydrophobicContact CB-CG1 3.91Å; N963-V986 PolarHBondContact ND2-O 3.16Å; L966-V986 HydrophobicContact CD2-CG2 4.39Å; L967-V986 HydrophobicContact CD2-CG1 3.79Å; I970-V986 HydrophobicContact CD1-CG2 4.14Å; P977-V986 HydrophobicContact CB-CG2 4.44Å; P977-V986 WeakPolarHBondContact O-CG2 3.41Å; H981-V986 HydrophobicContact CB-CG2 4.04Å; H981-V986 PolarHBondContact ND1-N 3.32Å; S984-V986 PolarHBondContact O-N 2.89Å
987D94.2Very high91.8Very high42 Ų4253.5 Ų53.523%0.22526%0.263CS..THydrogen-bonded Turntrans-104.612.1177.662.7-20.8000113.4L896 F900 H981 P985 D989 S990 Y991L896-D987 HydrophobicContact CD1-CB 4.39Å; F900-D987 HydrophobicContact CD1-CB 4.15Å; F900-D987 HydrophobicContact CD2-CB 4.01Å; F900-D987 HydrophobicContact CE1-CB 3.76Å; F900-D987 HydrophobicContact CE2-CB 3.61Å; F900-D987 HydrophobicContact CG-CB 4.28Å; F900-D987 HydrophobicContact CZ-CB 3.47Å; F900-D987 VanDerWaalsContact CZ-CB 3.47Å; H981-D987 IonicContact CE1-OD1 3.64Å; P985-D987 WeakPolarHBondContact CB-OD1 3.45Å; P985-D987 PolarHBondContact O-N 2.86Å; D987-D989 VanDerWaalsContact C-N 3.26Å; D987-D989 PolarHBondContact O-N 2.98Å; D987-D989 VanDerWaalsContact O-N 3.13Å; D987-S990 VanDerWaalsContact O-CB 3.31Å; D987-S990 WeakPolarHBondContact O-CB 3.46Å; D987-S990 PolarHBondContact O-N 3.11Å; D987-S990 PolarHBondContact O-OG 2.85Å; D987-Y991 WeakPolarHBondContact O-CE1 3.26Å
988E93.3Very high91.6Very high25 Ų2556.4 Ų56.412%0.11728%0.277CS..THydrogen-bonded Turntrans-53.4-37.3-172.6-179.6172.5-148.700114.1R962 N963 S984 P985 S990 Y991 T992R962-E988 IonicContact CZ-OE1 3.23Å; R962-E988 IonicContact CZ-OE2 2.92Å; R962-E988 IonicContact NE-OE2 3.04Å; R962-E988 PolarHBondContact NE-OE2 3.14Å; R962-E988 VanDerWaalsContact NH2-CD 3.34Å; R962-E988 IonicContact NH2-OE1 2.75Å; R962-E988 PolarHBondContact NH2-OE1 3.32Å; R962-E988 IonicContact NH2-OE2 3.29Å; R962-E988 PolarHBondContact NH2-OE2 3.42Å; R962-E988 VanDerWaalsContact NH2-OE2 3.14Å; N963-E988 HydrophobicContact CB-CB 4.22Å; S984-E988 PolarHBondContact OG-OE2 3.08Å; S984-E988 VanDerWaalsContact OG-OE2 3.04Å; P985-E988 HydrophobicContact CB-CB 4.21Å; P985-E988 WeakPolarHBondContact O-CB 3.31Å; P985-E988 PolarHBondContact O-N 2.87Å; P985-E988 VanDerWaalsContact O-N 3.14Å; E988-S990 VanDerWaalsContact C-N 3.25Å; E988-S990 PolarHBondContact O-N 3.24Å; E988-Y991 HydrophobicContact CG-CE2 4.45Å; E988-Y991 PolarHBondContact O-N 3.19Å; E988-T992 HydrophobicContact CG-CG2 4.02Å; E988-T992 WeakPolarHBondContact O-CB 3.49Å; E988-T992 VanDerWaalsContact O-CG2 3.27Å; E988-T992 WeakPolarHBondContact O-CG2 3.44Å; E988-T992 PolarHBondContact O-N 3.04Å; E988-T992 PolarHBondContact O-OG1 2.64Å
989D93.3Very high91.4Very high20 Ų2058.8 Ų58.811%0.10729%0.288CS..Hα-helixtrans-69-22.6-179.6-79.7-2.8000113.1T961 N963 D987 Y991 L993T961-D989 WeakPolarHBondContact CB-OD1 3.44Å; T961-D989 WeakPolarHBondContact CB-OD2 3.46Å; T961-D989 WeakPolarHBondContact CG2-OD2 3.3Å; T961-D989 PolarHBondContact OG1-OD1 3.14Å; T961-D989 PolarHBondContact OG1-OD2 2.88Å; N963-D989 HydrophobicContact CB-CB 4.41Å; N963-D989 WeakPolarHBondContact CB-OD1 3.23Å; D987-D989 VanDerWaalsContact C-N 3.26Å; D987-D989 PolarHBondContact O-N 2.98Å; D987-D989 VanDerWaalsContact O-N 3.13Å; D989-Y991 PolarHBondContact O-N 2.97Å; D989-L993 HydrophobicContact CB-CD1 4.01Å; D989-L993 HydrophobicContact CB-CG 4.47Å; D989-L993 PolarHBondContact O-N 2.98Å
990S91.9Very high91.3Very high50 Ų5060.3 Ų60.335%0.3529%0.288SS..Hα-helixtrans-68.3-20.3-178.671.30000114.1D987 E988D987-S990 VanDerWaalsContact O-CB 3.31Å; D987-S990 WeakPolarHBondContact O-CB 3.46Å; D987-S990 PolarHBondContact O-N 3.11Å; D987-S990 PolarHBondContact O-OG 2.85Å; E988-S990 VanDerWaalsContact C-N 3.25Å; E988-S990 PolarHBondContact O-N 3.24Å
991Y91Very high91Very high133 Ų13364.1 Ų64.152%0.52231%0.306SS..Hα-helixtrans-125.10.1179.157.7-97.2000113.4P985 D987 E988 D989P985-Y991 WeakPolarHBondContact CB-OH 3.27Å; P985-Y991 WeakPolarHBondContact CG-OH 3.2Å; D987-Y991 WeakPolarHBondContact O-CE1 3.26Å; E988-Y991 HydrophobicContact CG-CE2 4.45Å; E988-Y991 PolarHBondContact O-N 3.19Å; D989-Y991 PolarHBondContact O-N 2.97Å
992T90.2Very high90.7Very high37 Ų3764.4 Ų64.423%0.22731%0.308CS..Hα-helixtrans-111.7-9.7178.162.30000114.5E988E988-T992 HydrophobicContact CG-CG2 4.02Å; E988-T992 WeakPolarHBondContact O-CB 3.49Å; E988-T992 VanDerWaalsContact O-CG2 3.27Å; E988-T992 WeakPolarHBondContact O-CG2 3.44Å; E988-T992 PolarHBondContact O-N 3.04Å; E988-T992 PolarHBondContact O-OG1 2.64Å
993L90.4Very high90.7Very high22 Ų2253.7 Ų53.712%0.11527%0.27CS..SBendtrans-112.5145.1173.6-63.4178000110.8K950 H954 T961 D989K950-L993 HydrophobicContact CD-CD2 4.16Å; K950-L993 HydrophobicContact CG-CD2 4.13Å; H954-L993 HydrophobicContact CB-CD2 4.46Å; T961-L993 HydrophobicContact CG2-CD1 4.19Å; D989-L993 HydrophobicContact CB-CD1 4.01Å; D989-L993 HydrophobicContact CB-CG 4.47Å; D989-L993 PolarHBondContact O-N 2.98Å
994L87.6Confident90.6Very high72 Ų7252.3 Ų52.338%0.37726%0.263SS..  trans-74.3138.5168.8-65.3169.6000109.1I947 E948 T951 R955I947-L994 HydrophobicContact CG2-CD1 4.21Å; I947-L994 HydrophobicContact CG2-CD2 4.18Å; I947-L994 HydrophobicContact CG2-CG 3.7Å; E948-L994 HydrophobicContact CG-CD1 3.72Å; T951-L994 HydrophobicContact CG2-CB 4.23Å; T951-L994 PolarHBondContact OG1-N 3.06Å; R955-L994 PolarHBondContact NH2-O 2.97Å
995H73.5Confident90.4Very high190 Ų19057 Ų5788%0.8829%0.287SS*.  trans-84.30175.1-70.7-60.5000112R955R955-H995 VanDerWaalsContact CZ-OXT 3.24Å; R955-H995 PolarHBondContact NH1-OXT 3.22Å; R955-H995 VanDerWaalsContact NH2-C 3.3Å; R955-H995 VanDerWaalsContact NH2-CA 3.32Å; R955-H995 PolarHBondContact NH2-OXT 2.66Å

Retrieved 995 of 995 residues in 1242.8 ms (Link to these results)

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