A0A3Q0KE09_SCHMA Loading...

Putative liquid facets

AlphaFold DB , UniProt , Accession A0A3Q0KE09, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 594 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61.6Low71.8Confident92 Ų9284.5 Ų84.545%0.45343%0.434SS..  0141.60-72-151.5-137.100112.3R5 R19 E23M1-R5 HydrophobicContact SD-CG 4.28Å; M1-R5 PolarHBondContact SD-NH1 2.93Å; M1-R19 HydrophobicContact CE-CG 3.63Å; M1-E23 HydrophobicContact CE-CB 3.9Å; M1-E23 VanDerWaalsContact CE-CD 3.46Å; M1-E23 HydrophobicContact CE-CG 4.11Å; M1-E23 WeakPolarHBondContact CE-OE2 3.41Å; M1-E23 HydrophobicContact CG-CG 4Å; M1-E23 WeakPolarHBondContact CG-OE1 3.37Å; M1-E23 HydrophobicContact SD-CB 4.3Å; M1-E23 HydrophobicContact SD-CG 4.3Å
2P74.3Confident72.1Confident70 Ų7086.4 Ų86.446%0.45544%0.44SS..  trans-61.4141.8170.3-21.332.9000112.8H4 R5 H6P2-H4 VanDerWaalsContact C-N 3.34Å; P2-H4 PolarHBondContact O-N 3.02Å; P2-R5 WeakPolarHBondContact O-CB 3.42Å; P2-R5 PolarHBondContact O-N 3.31Å; P2-H6 PolarHBondContact O-N 2.83Å
3I74Confident73Confident140 Ų14090.5 Ų90.572%0.71846%0.463SS*.Hα-helixtrans-53.7-45.6-174.1-66166.9000112.5R5 H6 I7I3-R5 PolarHBondContact O-N 3.46Å; I3-H6 WeakPolarHBondContact O-CB 3.35Å; I3-H6 PolarHBondContact O-N 3.21Å; I3-H6 VanDerWaalsContact O-N 3.08Å; I3-I7 HydrophobicContact CG2-CD1 3.94Å; I3-I7 HydrophobicContact CG2-CG1 4.48Å; I3-I7 WeakPolarHBondContact O-CG1 3.36Å; I3-I7 PolarHBondContact O-N 3.09Å
4H74.6Confident74Confident125 Ų12587.1 Ų87.158%0.57944%0.442SS*.Hα-helixtrans-57.5-34.6179.9-176.5-166.3000112.5P2 K8P2-H4 VanDerWaalsContact C-N 3.34Å; P2-H4 PolarHBondContact O-N 3.02Å; H4-K8 VanDerWaalsContact CE1-CE 3.45Å; H4-K8 WeakPolarHBondContact CE1-CE 3.44Å; H4-K8 WeakPolarHBondContact NE2-CE 3.4Å; H4-K8 WeakPolarHBondContact O-CG 3.4Å; H4-K8 PolarHBondContact O-N 2.76Å
5R74.4Confident75.2Confident34 Ų3484.3 Ų84.313%0.12843%0.431CS..Hα-helixtrans-74.4-37.1179.2-174.3161.4169.6-95.4-37.3111.9M1 P2 I3 I7 K8 N9 R19 R22 E23M1-R5 HydrophobicContact SD-CG 4.28Å; M1-R5 PolarHBondContact SD-NH1 2.93Å; P2-R5 WeakPolarHBondContact O-CB 3.42Å; P2-R5 PolarHBondContact O-N 3.31Å; I3-R5 PolarHBondContact O-N 3.46Å; R5-I7 VanDerWaalsContact C-N 3.34Å; R5-K8 PolarHBondContact O-N 2.8Å; R5-N9 WeakPolarHBondContact O-CB 3.24Å; R5-N9 PolarHBondContact O-N 3.39Å; R5-N9 PolarHBondContact O-ND2 3.5Å; R5-N9 PolarHBondContact O-OD1 3.19Å; R5-R19 PolarHBondContact NH2-O 2.78Å; R5-R22 VanDerWaalsContact CZ-C 3.41Å; R5-R22 PolarHBondContact NE-O 3.02Å; R5-R22 PolarHBondContact NH2-O 2.97Å; R5-E23 VanDerWaalsContact CZ-CA 3.4Å
6H71.2Confident76.2Confident99 Ų9984 Ų8446%0.45843%0.431SS..Hα-helixtrans-60.3-46.2173-174.381.3000111P2 I3 K8 N9 V10P2-H6 PolarHBondContact O-N 2.83Å; I3-H6 WeakPolarHBondContact O-CB 3.35Å; I3-H6 PolarHBondContact O-N 3.21Å; I3-H6 VanDerWaalsContact O-N 3.08Å; H6-K8 PolarHBondContact O-N 3.25Å; H6-N9 WeakPolarHBondContact O-CB 3.32Å; H6-N9 PolarHBondContact O-N 3.47Å; H6-V10 PolarHBondContact O-N 3.24Å; H6-V10 VanDerWaalsContact O-N 3.11Å
7I72.6Confident77.3Confident91 Ų9179.4 Ų79.447%0.46741%0.408SS..Hα-helixtrans-58.3-49.4175.9-63168.4000110.8I3 R5 N9 V10 V11I3-I7 HydrophobicContact CG2-CD1 3.94Å; I3-I7 HydrophobicContact CG2-CG1 4.48Å; I3-I7 WeakPolarHBondContact O-CG1 3.36Å; I3-I7 PolarHBondContact O-N 3.09Å; R5-I7 VanDerWaalsContact C-N 3.34Å; I7-N9 PolarHBondContact O-N 2.81Å; I7-V10 PolarHBondContact O-N 3.03Å; I7-V10 VanDerWaalsContact O-N 3.16Å; I7-V11 HydrophobicContact CG2-CG2 4.22Å; I7-V11 WeakPolarHBondContact O-CG2 3.34Å; I7-V11 PolarHBondContact O-N 3.29Å
8K73.3Confident78.2Confident97 Ų9776.3 Ų76.342%0.42239%0.392SS..Hα-helixtrans-58.2-33.8175.7-72.6-171.5-171.4-168.50112.5H4 R5 H6 H12H4-K8 VanDerWaalsContact CE1-CE 3.45Å; H4-K8 WeakPolarHBondContact CE1-CE 3.44Å; H4-K8 WeakPolarHBondContact NE2-CE 3.4Å; H4-K8 WeakPolarHBondContact O-CG 3.4Å; H4-K8 PolarHBondContact O-N 2.76Å; R5-K8 PolarHBondContact O-N 2.8Å; H6-K8 PolarHBondContact O-N 3.25Å; K8-H12 PolarHBondContact O-N 3.44Å; K8-H12 PolarHBondContact O-ND1 2.95Å
9N73.9Confident79Confident0 Ų076.1 Ų76.10%039%0.386CS..Hα-helixtrans-69.4-37.8-179.4-65.3-21000112.3R5 H6 I7 Y14 R22R5-N9 WeakPolarHBondContact O-CB 3.24Å; R5-N9 PolarHBondContact O-N 3.39Å; R5-N9 PolarHBondContact O-ND2 3.5Å; R5-N9 PolarHBondContact O-OD1 3.19Å; H6-N9 WeakPolarHBondContact O-CB 3.32Å; H6-N9 PolarHBondContact O-N 3.47Å; I7-N9 PolarHBondContact O-N 2.81Å; N9-Y14 PolarHBondContact O-N 3.46Å; N9-R22 VanDerWaalsContact OD1-CZ 3.28Å; N9-R22 PolarHBondContact OD1-NE 3.45Å; N9-R22 PolarHBondContact OD1-NH2 2.97Å
10V70.5Confident79.8Confident80 Ų8074.1 Ų74.149%0.48537%0.374SS..Hα-helixtrans-71.5-45.4177.4178.30000110.9H6 I7 H12 N13H6-V10 PolarHBondContact O-N 3.24Å; H6-V10 VanDerWaalsContact O-N 3.11Å; I7-V10 PolarHBondContact O-N 3.03Å; I7-V10 VanDerWaalsContact O-N 3.16Å; V10-H12 VanDerWaalsContact C-N 3.29Å; V10-H12 PolarHBondContact O-N 3.36Å; V10-N13 PolarHBondContact O-N 2.94Å
11V68.9Low80.6Confident101 Ų10170.6 Ų70.661%0.61236%0.356SS*.Hα-helixtrans-61.4-35.3-177.3171.40000113I7I7-V11 HydrophobicContact CG2-CG2 4.22Å; I7-V11 WeakPolarHBondContact O-CG2 3.34Å; I7-V11 PolarHBondContact O-N 3.29Å
12H76Confident82.2Confident108 Ų10867.2 Ų67.250%0.534%0.339SS..THydrogen-bonded Turntrans-96.15.8-177.4-64.779.9000113.2K8 V10 Y14K8-H12 PolarHBondContact O-N 3.44Å; K8-H12 PolarHBondContact O-ND1 2.95Å; V10-H12 VanDerWaalsContact C-N 3.29Å; V10-H12 PolarHBondContact O-N 3.36Å; H12-Y14 HydrophobicContact CB-CD2 3.59Å; H12-Y14 HydrophobicContact CB-CE2 3.19Å; H12-Y14 HydrophobicContact CB-CG 4.48Å; H12-Y14 AromaticContact CG-CE2 3.7Å; H12-Y14 PolarHBondContact O-N 2.95Å
13N83.4Confident83.1Confident140 Ų14066.8 Ų66.875%0.74933%0.331SS*.THydrogen-bonded Turntrans51.737.5-178.6-62.1106.6000114.7V10 T15V10-N13 PolarHBondContact O-N 2.94Å; N13-T15 PolarHBondContact O-N 3.37Å
14Y87.4Confident84.1Confident42 Ų4260.1 Ų60.117%0.16530%0.297CS..  trans-63135.4176.1-70.4-70.2000110.8N9 H12 E18 R22 M56N9-Y14 PolarHBondContact O-N 3.46Å; H12-Y14 HydrophobicContact CB-CD2 3.59Å; H12-Y14 HydrophobicContact CB-CE2 3.19Å; H12-Y14 HydrophobicContact CB-CG 4.48Å; H12-Y14 AromaticContact CG-CE2 3.7Å; H12-Y14 PolarHBondContact O-N 2.95Å; Y14-E18 WeakPolarHBondContact CA-OE2 3.32Å; Y14-E18 HydrophobicContact CD1-CB 4.04Å; Y14-E18 WeakPolarHBondContact CD1-OE2 3.42Å; Y14-E18 HydrophobicContact CG-CB 4.45Å; Y14-R22 PolarHBondContact OH-NH1 3.01Å; Y14-M56 HydrophobicContact CD1-CE 3.82Å; Y14-M56 HydrophobicContact CE1-CE 3.74Å
15T91.9Very high85.1Confident46 Ų4654.2 Ų54.228%0.28227%0.269SS..  trans-64.2164.3176.175.90000110.8N13 A17 E18 R19 E52N13-T15 PolarHBondContact O-N 3.37Å; T15-A17 PolarHBondContact O-N 3.04Å; T15-A17 PolarHBondContact OG1-N 3.43Å; T15-E18 PolarHBondContact N-OE2 3.12Å; T15-E18 VanDerWaalsContact N-OE2 3.12Å; T15-E18 PolarHBondContact O-N 3.34Å; T15-E18 WeakPolarHBondContact OG1-CG 3.47Å; T15-E18 PolarHBondContact OG1-N 3.15Å; T15-R19 WeakPolarHBondContact O-CB 3.37Å; T15-R19 PolarHBondContact O-N 3.46Å; T15-E52 VanDerWaalsContact CB-OE2 3.31Å; T15-E52 WeakPolarHBondContact CB-OE2 3.37Å; T15-E52 WeakPolarHBondContact CG2-OE1 3.15Å; T15-E52 WeakPolarHBondContact CG2-OE2 3.42Å; T15-E52 PolarHBondContact OG1-OE2 2.88Å
16D91.2Very high86Confident79 Ų7952.9 Ų52.942%0.42227%0.265SS..Hα-helixtrans-58.5-38.1176.7-176.560.9000111.7R19 K20 K43D16-R19 PolarHBondContact O-N 3.22Å; D16-K20 WeakPolarHBondContact O-CG 3.32Å; D16-K20 PolarHBondContact O-N 3.47Å; D16-K20 VanDerWaalsContact O-N 3.13Å; D16-K20 WeakPolarHBondContact OD2-CE 3.28Å; D16-K20 IonicContact OD2-NZ 2.59Å; D16-K43 WeakPolarHBondContact OD2-CE 3.34Å; D16-K43 IonicContact OD2-NZ 3.66Å; D16-K43 PolarHBondContact OD2-NZ 2.88Å
17A94.4Very high87Confident6 Ų651.6 Ų51.65%0.0526%0.262CS..Hα-helixtrans-63.5-49.4176.800000111.6T15 R19 K20 V21 K43 A49 I53T15-A17 PolarHBondContact O-N 3.04Å; T15-A17 PolarHBondContact OG1-N 3.43Å; A17-R19 VanDerWaalsContact C-N 3.31Å; A17-R19 PolarHBondContact O-N 3.26Å; A17-K20 PolarHBondContact O-N 2.92Å; A17-V21 WeakPolarHBondContact O-CG2 3.49Å; A17-V21 PolarHBondContact O-N 3.06Å; A17-V21 VanDerWaalsContact O-N 3.1Å; A17-K43 HydrophobicContact CB-CD 4.15Å; A17-A49 HydrophobicContact CB-CB 3.99Å; A17-I53 HydrophobicContact CB-CD1 4.21Å; A17-I53 HydrophobicContact CB-CG1 3.96Å
18E94.4Very high87.8Confident24 Ų2449.1 Ų49.111%0.11225%0.249CC..Hα-helixtrans-61.8-38.4177.2-71.2-173.211000112.7Y14 T15 V21 R22 E52 M56 R59Y14-E18 WeakPolarHBondContact CA-OE2 3.32Å; Y14-E18 HydrophobicContact CD1-CB 4.04Å; Y14-E18 WeakPolarHBondContact CD1-OE2 3.42Å; Y14-E18 HydrophobicContact CG-CB 4.45Å; T15-E18 PolarHBondContact N-OE2 3.12Å; T15-E18 VanDerWaalsContact N-OE2 3.12Å; T15-E18 PolarHBondContact O-N 3.34Å; T15-E18 WeakPolarHBondContact OG1-CG 3.47Å; T15-E18 PolarHBondContact OG1-N 3.15Å; E18-V21 PolarHBondContact O-N 3.01Å; E18-R22 WeakPolarHBondContact O-CB 3.37Å; E18-R22 WeakPolarHBondContact O-CD 3.43Å; E18-R22 VanDerWaalsContact O-CG 3.23Å; E18-R22 WeakPolarHBondContact O-CG 3.37Å; E18-R22 PolarHBondContact O-N 3.34Å; E18-E52 HydrophobicContact CG-CB 3.89Å; E18-M56 HydrophobicContact CB-CE 3.77Å; E18-M56 HydrophobicContact CG-CE 3.92Å; E18-M56 WeakPolarHBondContact OE1-CE 3.32Å; E18-R59 IonicContact OE1-NH2 3.15Å; E18-R59 PolarHBondContact OE1-NH2 3.45Å; E18-R59 VanDerWaalsContact OE1-NH2 3.15Å
19R93.1Very high88.6Confident72 Ų7249.3 Ų49.327%0.27226%0.261SS..Hα-helixtrans-62-45.1178.8-176.7-178.7-57.8-1783.5111.8M1 R5 T15 D16 A17 R22 E23M1-R19 HydrophobicContact CE-CG 3.63Å; R5-R19 PolarHBondContact NH2-O 2.78Å; T15-R19 WeakPolarHBondContact O-CB 3.37Å; T15-R19 PolarHBondContact O-N 3.46Å; D16-R19 PolarHBondContact O-N 3.22Å; A17-R19 VanDerWaalsContact C-N 3.31Å; A17-R19 PolarHBondContact O-N 3.26Å; R19-R22 PolarHBondContact O-N 2.91Å; R19-E23 PolarHBondContact O-N 3.26Å; R19-E23 VanDerWaalsContact O-N 3.14Å
20K94.8Very high89.4Confident36 Ų3657 Ų5716%0.15729%0.29CS..Hα-helixtrans-64.7-43.8177-70.1-171.4-171.2-162.60111.4D16 A17 R22 E23 A24 L36 E39 I40 K43D16-K20 WeakPolarHBondContact O-CG 3.32Å; D16-K20 PolarHBondContact O-N 3.47Å; D16-K20 VanDerWaalsContact O-N 3.13Å; D16-K20 WeakPolarHBondContact OD2-CE 3.28Å; D16-K20 IonicContact OD2-NZ 2.59Å; A17-K20 PolarHBondContact O-N 2.92Å; K20-R22 PolarHBondContact O-N 3.5Å; K20-E23 WeakPolarHBondContact O-CA 3.47Å; K20-E23 WeakPolarHBondContact O-CB 3.44Å; K20-E23 PolarHBondContact O-N 3.21Å; K20-A24 PolarHBondContact O-N 2.92Å; K20-L36 HydrophobicContact CB-CD1 3.88Å; K20-L36 HydrophobicContact CD-CD1 4.21Å; K20-L36 HydrophobicContact CG-CD1 3.95Å; K20-E39 HydrophobicContact CD-CB 4.32Å; K20-E39 WeakPolarHBondContact CE-OE2 3.5Å; K20-E39 IonicContact NZ-OE2 3.64Å; K20-E39 PolarHBondContact NZ-OE2 3.17Å; K20-I40 HydrophobicContact CB-CD1 4.14Å; K20-I40 HydrophobicContact CB-CG1 3.78Å; K20-K43 HydrophobicContact CD-CD 4.36Å
21V96.3Very high90.3Very high0 Ų055.5 Ų55.50%029%0.29CS..Hα-helixtrans-62.5-43.7176.3176.90000111.6A17 E18 E23 A24 T25 I40 I53 M56 I57 L77A17-V21 WeakPolarHBondContact O-CG2 3.49Å; A17-V21 PolarHBondContact O-N 3.06Å; A17-V21 VanDerWaalsContact O-N 3.1Å; E18-V21 PolarHBondContact O-N 3.01Å; V21-E23 PolarHBondContact O-N 3.46Å; V21-E23 VanDerWaalsContact O-N 3.13Å; V21-A24 PolarHBondContact O-N 2.95Å; V21-T25 HydrophobicContact CG1-CG2 4.44Å; V21-T25 WeakPolarHBondContact O-CB 3.44Å; V21-T25 WeakPolarHBondContact O-CG2 3.25Å; V21-T25 PolarHBondContact O-N 3.27Å; V21-T25 PolarHBondContact O-OG1 3.45Å; V21-I40 HydrophobicContact CG2-CD1 4.24Å; V21-I40 HydrophobicContact CG2-CG1 4.46Å; V21-I40 HydrophobicContact CG2-CG2 4Å; V21-I53 HydrophobicContact CG2-CB 4.11Å; V21-I53 HydrophobicContact CG2-CG1 3.83Å; V21-I53 HydrophobicContact CG2-CG2 3.84Å; V21-M56 HydrophobicContact CB-CB 4.34Å; V21-M56 HydrophobicContact CB-CG 4.05Å; V21-M56 HydrophobicContact CG1-CB 3.85Å; V21-M56 HydrophobicContact CG1-CG 3.59Å; V21-I57 HydrophobicContact CG1-CG1 3.85Å; V21-L77 HydrophobicContact CG1-CD2 4.07Å
22R94.8Very high91.4Very high22 Ų2251.7 Ų51.78%0.08327%0.268CS..Hα-helixtrans-59.2-25.6173.8-72.5163.160.4103.8-11.2111.9R5 N9 Y14 E18 R19 K20 S26 M56R5-R22 VanDerWaalsContact CZ-C 3.41Å; R5-R22 PolarHBondContact NE-O 3.02Å; R5-R22 PolarHBondContact NH2-O 2.97Å; N9-R22 VanDerWaalsContact OD1-CZ 3.28Å; N9-R22 PolarHBondContact OD1-NE 3.45Å; N9-R22 PolarHBondContact OD1-NH2 2.97Å; Y14-R22 PolarHBondContact OH-NH1 3.01Å; E18-R22 WeakPolarHBondContact O-CB 3.37Å; E18-R22 WeakPolarHBondContact O-CD 3.43Å; E18-R22 VanDerWaalsContact O-CG 3.23Å; E18-R22 WeakPolarHBondContact O-CG 3.37Å; E18-R22 PolarHBondContact O-N 3.34Å; R19-R22 PolarHBondContact O-N 2.91Å; K20-R22 PolarHBondContact O-N 3.5Å; R22-S26 PolarHBondContact O-N 3.28Å; R22-M56 HydrophobicContact CG-CE 3.85Å; R22-M56 HydrophobicContact CG-CG 4.2Å; R22-M56 HydrophobicContact CG-SD 3.8Å
23E93.9Very high92.3Very high61 Ų6149.9 Ų49.929%0.28527%0.267SS..Hα-helixtrans-84.5-44.4-178.6-175.6171.1-156.400112M1 R5 R19 K20 V21 T25 S26 L36M1-E23 HydrophobicContact CE-CB 3.9Å; M1-E23 VanDerWaalsContact CE-CD 3.46Å; M1-E23 HydrophobicContact CE-CG 4.11Å; M1-E23 WeakPolarHBondContact CE-OE2 3.41Å; M1-E23 HydrophobicContact CG-CG 4Å; M1-E23 WeakPolarHBondContact CG-OE1 3.37Å; M1-E23 HydrophobicContact SD-CB 4.3Å; M1-E23 HydrophobicContact SD-CG 4.3Å; R5-E23 VanDerWaalsContact CZ-CA 3.4Å; R19-E23 PolarHBondContact O-N 3.26Å; R19-E23 VanDerWaalsContact O-N 3.14Å; K20-E23 WeakPolarHBondContact O-CA 3.47Å; K20-E23 WeakPolarHBondContact O-CB 3.44Å; K20-E23 PolarHBondContact O-N 3.21Å; V21-E23 PolarHBondContact O-N 3.46Å; V21-E23 VanDerWaalsContact O-N 3.13Å; E23-T25 PolarHBondContact O-N 2.87Å; E23-S26 PolarHBondContact O-N 3.12Å; E23-S26 PolarHBondContact O-OG 2.88Å; E23-L36 HydrophobicContact CB-CD2 3.89Å; E23-L36 HydrophobicContact CG-CD2 3.69Å
24A95.8Very high92.7Very high0 Ų046.5 Ų46.50%026%0.255CS..Hα-helixtrans-59.5-31.8170.500000111.7K20 V21 P32 L36 I40 K73 L77K20-A24 PolarHBondContact O-N 2.92Å; V21-A24 PolarHBondContact O-N 2.95Å; A24-P32 HydrophobicContact CB-CB 4.01Å; A24-L36 HydrophobicContact CB-CD2 3.95Å; A24-L36 HydrophobicContact CB-CG 4.38Å; A24-I40 HydrophobicContact CB-CD1 3.74Å; A24-K73 WeakPolarHBondContact O-CE 3.38Å; A24-L77 HydrophobicContact CB-CD1 4.41Å; A24-L77 HydrophobicContact CB-CD2 4.03Å
25T95.4Very high93.1Very high0 Ų048.9 Ų48.90%027%0.274CS..THydrogen-bonded Turntrans-105.222.4-177.663.10000114.2V21 E23 R60 H70 A74 L77V21-T25 HydrophobicContact CG1-CG2 4.44Å; V21-T25 WeakPolarHBondContact O-CB 3.44Å; V21-T25 WeakPolarHBondContact O-CG2 3.25Å; V21-T25 PolarHBondContact O-N 3.27Å; V21-T25 PolarHBondContact O-OG1 3.45Å; E23-T25 PolarHBondContact O-N 2.87Å; T25-R60 PolarHBondContact O-NH1 2.98Å; T25-H70 PolarHBondContact O-CD2 2.76Å; T25-A74 HydrophobicContact CG2-CB 4.08Å; T25-L77 HydrophobicContact CG2-CD2 4.18Å
26S92.7Very high93.2Very high7 Ų747.8 Ų47.85%0.04927%0.266CS..  trans-64.8157.3177.466.60000112.8R22 E23 D28 K73R22-S26 PolarHBondContact O-N 3.28Å; E23-S26 PolarHBondContact O-N 3.12Å; E23-S26 PolarHBondContact O-OG 2.88Å; S26-D28 VanDerWaalsContact CB-OD2 3.26Å; S26-D28 WeakPolarHBondContact CB-OD2 3.46Å; S26-D28 PolarHBondContact O-N 3.3Å; S26-D28 VanDerWaalsContact OG-CG 3.23Å; S26-D28 PolarHBondContact OG-OD2 3.02Å; S26-K73 VanDerWaalsContact O-CD 3.31Å; S26-K73 WeakPolarHBondContact O-CD 3.48Å; S26-K73 WeakPolarHBondContact O-CE 3.34Å; S26-K73 PolarHBondContact O-NZ 3.39Å; S26-K73 PolarHBondContact OG-NZ 3.48Å; S26-K73 VanDerWaalsContact OG-NZ 3.14Å
27N91.4Very high93.4Very high72 Ų7244.8 Ų44.839%0.38525%0.25SC..SBendtrans-74.514175.7-157.525.5000114R69 H70N27-R69 WeakPolarHBondContact O-CD 3.27Å; N27-R69 WeakPolarHBondContact OD1-CB 3.44Å; N27-R69 WeakPolarHBondContact OD1-CD 3.36Å; N27-H70 WeakPolarHBondContact CB-NE2 3.41Å; N27-H70 PolarHBondContact N-CD2 3.28Å; N27-H70 PolarHBondContact N-NE2 3.42Å
28D90.8Very high93.4Very high38 Ų3845.2 Ų45.220%0.20325%0.253CS..  trans-68.7147.4-179.6-56.6-39.7000110.3S26 W30 K73S26-D28 VanDerWaalsContact CB-OD2 3.26Å; S26-D28 WeakPolarHBondContact CB-OD2 3.46Å; S26-D28 PolarHBondContact O-N 3.3Å; S26-D28 VanDerWaalsContact OG-CG 3.23Å; S26-D28 PolarHBondContact OG-OD2 3.02Å; D28-W30 HydrophobicContact CB-CD2 3.88Å; D28-W30 HydrophobicContact CB-CE3 4.46Å; D28-W30 HydrophobicContact CB-CG 4.32Å; D28-W30 HydrophobicContact CB-CH2 4.16Å; D28-W30 HydrophobicContact CB-CZ2 3.55Å; D28-W30 PolarHBondContact O-N 2.93Å; D28-W30 VanDerWaalsContact O-N 3.13Å; D28-K73 PolarHBondContact O-NZ 3.36Å
29P89.2Confident93.5Very high102 Ų10247.6 Ų47.666%0.66226%0.264SS*.SBendtrans-71.5-5.5-174.629.4-35.4000114.2
30W90.4Very high93.7Very high161 Ų16144.2 Ų44.261%0.6125%0.251SS*.SBendtrans-101.7155.7175.450.681000112.1D28 K73D28-W30 HydrophobicContact CB-CD2 3.88Å; D28-W30 HydrophobicContact CB-CE3 4.46Å; D28-W30 HydrophobicContact CB-CG 4.32Å; D28-W30 HydrophobicContact CB-CH2 4.16Å; D28-W30 HydrophobicContact CB-CZ2 3.55Å; D28-W30 PolarHBondContact O-N 2.93Å; D28-W30 VanDerWaalsContact O-N 3.13Å; W30-K73 WeakPolarHBondContact O-CE 3.44Å; W30-K73 PolarHBondContact O-NZ 2.93Å
31G90.2Very high93.8Very high48 Ų4842.5 Ų42.550%0.49524%0.244SC..PPolyproline II helixtrans-69.4166.4176.200000113.7
32P92.8Very high93.8Very high22 Ų2245.6 Ų45.614%0.14326%0.26CS..PPolyproline II helixtrans-63.3141.9172.128-34.2000111.2A24 M37 V76A24-P32 HydrophobicContact CB-CB 4.01Å; P32-M37 HydrophobicContact CB-CG 3.91Å; P32-M37 HydrophobicContact CB-SD 4.01Å; P32-M37 HydrophobicContact CG-CE 4.3Å; P32-M37 HydrophobicContact CG-CG 4.2Å; P32-M37 HydrophobicContact CG-SD 3.61Å; P32-V76 HydrophobicContact CG-CG1 3.89Å
33S94.1Very high93.8Very high70 Ų7047.3 Ų47.349%0.4927%0.268SS..PPolyproline II helixtrans-69.3138.3174.4174.50000111.1T35 L36 M37S33-T35 VanDerWaalsContact C-N 3.26Å; S33-T35 PolarHBondContact O-N 3.39Å; S33-L36 WeakPolarHBondContact O-CB 3.34Å; S33-L36 PolarHBondContact O-N 2.98Å; S33-L36 VanDerWaalsContact O-N 3.08Å; S33-M37 WeakPolarHBondContact O-CG 3.47Å; S33-M37 PolarHBondContact O-N 3.5Å
34S92.6Very high93.9Very high69 Ų6944.4 Ų44.448%0.48326%0.255SS..Hα-helixtrans-55.7-39.7177.2-540000112.6L36 M37 A38S34-L36 PolarHBondContact O-N 2.95Å; S34-M37 PolarHBondContact O-N 3.46Å; S34-A38 WeakPolarHBondContact O-CB 3Å; S34-A38 PolarHBondContact O-N 3.25Å
35T93.9Very high93.9Very high92 Ų9249.7 Ų49.756%0.56428%0.279SS*.Hα-helixtrans-61.5-44.7176.2-49.60000111.5S33 M37 A38 E39S33-T35 VanDerWaalsContact C-N 3.26Å; S33-T35 PolarHBondContact O-N 3.39Å; T35-M37 VanDerWaalsContact C-N 3.34Å; T35-M37 PolarHBondContact O-N 2.88Å; T35-A38 PolarHBondContact O-N 3Å; T35-E39 WeakPolarHBondContact O-CG 3.37Å; T35-E39 PolarHBondContact O-N 2.94Å
36L95.1Very high94Very high22 Ų2254 Ų5412%0.11530%0.302CS..Hα-helixtrans-65.5-39.3178.6-178.463.6000111.4K20 E23 A24 S33 S34 E39 I40K20-L36 HydrophobicContact CB-CD1 3.88Å; K20-L36 HydrophobicContact CD-CD1 4.21Å; K20-L36 HydrophobicContact CG-CD1 3.95Å; E23-L36 HydrophobicContact CB-CD2 3.89Å; E23-L36 HydrophobicContact CG-CD2 3.69Å; A24-L36 HydrophobicContact CB-CD2 3.95Å; A24-L36 HydrophobicContact CB-CG 4.38Å; S33-L36 WeakPolarHBondContact O-CB 3.34Å; S33-L36 PolarHBondContact O-N 2.98Å; S33-L36 VanDerWaalsContact O-N 3.08Å; S34-L36 PolarHBondContact O-N 2.95Å; L36-E39 PolarHBondContact O-N 2.8Å; L36-I40 HydrophobicContact CG-CD1 4.25Å; L36-I40 WeakPolarHBondContact O-CD1 3.49Å; L36-I40 VanDerWaalsContact O-CG1 3.25Å; L36-I40 WeakPolarHBondContact O-CG1 3.48Å; L36-I40 PolarHBondContact O-N 3.2Å; L36-I40 VanDerWaalsContact O-N 3.09Å
37M95.6Very high94.1Very high17 Ų1758 Ų588%0.08433%0.326CS..Hα-helixtrans-64.9-41.7175.1-65.1-168.2-71.800111.8P32 S33 S34 T35 I40 A41 V76 L77 Y80P32-M37 HydrophobicContact CB-CG 3.91Å; P32-M37 HydrophobicContact CB-SD 4.01Å; P32-M37 HydrophobicContact CG-CE 4.3Å; P32-M37 HydrophobicContact CG-CG 4.2Å; P32-M37 HydrophobicContact CG-SD 3.61Å; S33-M37 WeakPolarHBondContact O-CG 3.47Å; S33-M37 PolarHBondContact O-N 3.5Å; S34-M37 PolarHBondContact O-N 3.46Å; T35-M37 VanDerWaalsContact C-N 3.34Å; T35-M37 PolarHBondContact O-N 2.88Å; M37-I40 PolarHBondContact O-N 2.87Å; M37-A41 WeakPolarHBondContact O-CB 3.39Å; M37-A41 PolarHBondContact O-N 3.2Å; M37-V76 HydrophobicContact SD-CG1 4.3Å; M37-L77 HydrophobicContact CB-CD1 4.28Å; M37-L77 HydrophobicContact CG-CD1 3.94Å; M37-Y80 VanDerWaalsContact C-CE1 3.43Å; M37-Y80 HydrophobicContact CB-CD1 3.56Å; M37-Y80 HydrophobicContact CB-CE1 3.63Å; M37-Y80 HydrophobicContact CB-CG 4.06Å; M37-Y80 HydrophobicContact CE-CD2 4.41Å; M37-Y80 WeakPolarHBondContact O-CE1 3.45Å; M37-Y80 HydrophobicContact SD-CG 4.15Å
38A95Very high94.2Very high14 Ų1461.4 Ų61.412%0.11634%0.342CS..Hα-helixtrans-61.1-45.2175.300000112S34 T35 I40 A41 D42S34-A38 WeakPolarHBondContact O-CB 3Å; S34-A38 PolarHBondContact O-N 3.25Å; T35-A38 PolarHBondContact O-N 3Å; A38-I40 VanDerWaalsContact C-N 3.29Å; A38-I40 PolarHBondContact O-N 3.35Å; A38-A41 WeakPolarHBondContact O-CA 3.33Å; A38-A41 WeakPolarHBondContact O-CB 3.38Å; A38-A41 PolarHBondContact O-N 3.29Å; A38-A41 VanDerWaalsContact O-N 3.09Å; A38-D42 PolarHBondContact O-N 2.82Å
39E95.8Very high94.4Very high75 Ų7560.2 Ų60.235%0.3534%0.337SS..Hα-helixtrans-62.2-35.3176.1-71.6175.5-166.500113K20 T35 L36 K43K20-E39 HydrophobicContact CD-CB 4.32Å; K20-E39 WeakPolarHBondContact CE-OE2 3.5Å; K20-E39 IonicContact NZ-OE2 3.64Å; K20-E39 PolarHBondContact NZ-OE2 3.17Å; T35-E39 WeakPolarHBondContact O-CG 3.37Å; T35-E39 PolarHBondContact O-N 2.94Å; L36-E39 PolarHBondContact O-N 2.8Å; E39-K43 WeakPolarHBondContact O-CG 3.48Å; E39-K43 PolarHBondContact O-N 3.47Å
40I97Very high94.8Very high0 Ų056.6 Ų56.60%031%0.311CS..Hα-helixtrans-69-43.1173.6-63.9163.8000109.6K20 V21 A24 L36 M37 A38 D42 K43 T44 I53 L77 L81K20-I40 HydrophobicContact CB-CD1 4.14Å; K20-I40 HydrophobicContact CB-CG1 3.78Å; V21-I40 HydrophobicContact CG2-CD1 4.24Å; V21-I40 HydrophobicContact CG2-CG1 4.46Å; V21-I40 HydrophobicContact CG2-CG2 4Å; A24-I40 HydrophobicContact CB-CD1 3.74Å; L36-I40 HydrophobicContact CG-CD1 4.25Å; L36-I40 WeakPolarHBondContact O-CD1 3.49Å; L36-I40 VanDerWaalsContact O-CG1 3.25Å; L36-I40 WeakPolarHBondContact O-CG1 3.48Å; L36-I40 PolarHBondContact O-N 3.2Å; L36-I40 VanDerWaalsContact O-N 3.09Å; M37-I40 PolarHBondContact O-N 2.87Å; A38-I40 VanDerWaalsContact C-N 3.29Å; A38-I40 PolarHBondContact O-N 3.35Å; I40-D42 VanDerWaalsContact C-N 3.33Å; I40-D42 PolarHBondContact O-N 2.83Å; I40-K43 WeakPolarHBondContact O-CB 3.32Å; I40-K43 PolarHBondContact O-N 2.98Å; I40-K43 VanDerWaalsContact O-N 3.12Å; I40-T44 WeakPolarHBondContact O-CG2 3.3Å; I40-T44 PolarHBondContact O-N 2.85Å; I40-T44 VanDerWaalsContact O-N 3.13Å; I40-I53 HydrophobicContact CG2-CD1 4.04Å; I40-I53 HydrophobicContact CG2-CG1 4.33Å; I40-I53 HydrophobicContact CG2-CG2 3.95Å; I40-L77 HydrophobicContact CB-CD1 4.5Å; I40-L77 HydrophobicContact CD1-CD1 3.94Å; I40-L77 HydrophobicContact CD1-CD2 4.13Å; I40-L77 HydrophobicContact CG2-CD1 4.39Å; I40-L81 HydrophobicContact CB-CD2 4.46Å; I40-L81 HydrophobicContact CG2-CD1 4.09Å; I40-L81 HydrophobicContact CG2-CD2 3.99Å
41A96.5Very high95.1Very high0 Ų052 Ų520%030%0.301CS..Hα-helixtrans-57.2-45.3176.900000111.7M37 A38 K43 T44 H45 Y80 L81M37-A41 WeakPolarHBondContact O-CB 3.39Å; M37-A41 PolarHBondContact O-N 3.2Å; A38-A41 WeakPolarHBondContact O-CA 3.33Å; A38-A41 WeakPolarHBondContact O-CB 3.38Å; A38-A41 PolarHBondContact O-N 3.29Å; A38-A41 VanDerWaalsContact O-N 3.09Å; A41-K43 VanDerWaalsContact C-N 3.3Å; A41-K43 PolarHBondContact O-N 3.13Å; A41-T44 WeakPolarHBondContact O-CB 3.48Å; A41-T44 PolarHBondContact O-N 3.43Å; A41-T44 VanDerWaalsContact O-N 3.11Å; A41-T44 PolarHBondContact O-OG1 3.04Å; A41-H45 PolarHBondContact O-ND1 3.43Å; A41-Y80 HydrophobicContact CB-CE1 3.99Å; A41-L81 VanDerWaalsContact CA-CD2 3.42Å; A41-L81 HydrophobicContact CB-CD2 3.73Å
42D95.9Very high95.3Very high66 Ų6652.1 Ų52.135%0.35329%0.288SS..Hα-helixtrans-60.4-41.2176.4-67.2-28.3000111.7A38 I40 T44 H45 R147A38-D42 PolarHBondContact O-N 2.82Å; I40-D42 VanDerWaalsContact C-N 3.33Å; I40-D42 PolarHBondContact O-N 2.83Å; D42-T44 VanDerWaalsContact C-N 3.27Å; D42-T44 PolarHBondContact O-N 3Å; D42-H45 PolarHBondContact O-N 3.1Å; D42-H45 PolarHBondContact O-ND1 3.35Å; D42-R147 IonicContact OD1-CZ 3.06Å; D42-R147 IonicContact OD1-NH1 3.96Å; D42-R147 PolarHBondContact OD1-NH1 2.87Å; D42-R147 IonicContact OD1-NH2 2.81Å; D42-R147 PolarHBondContact OD1-NH2 3.44Å
43K96Very high95.5Very high57 Ų5751 Ų5125%0.24828%0.282CS..Hα-helixtrans-65.4-24.4176.9-73.4177.8-177.6-68.30114.1D16 A17 K20 E39 I40 A41 H45 N46 A49 I53D16-K43 WeakPolarHBondContact OD2-CE 3.34Å; D16-K43 IonicContact OD2-NZ 3.66Å; D16-K43 PolarHBondContact OD2-NZ 2.88Å; A17-K43 HydrophobicContact CB-CD 4.15Å; K20-K43 HydrophobicContact CD-CD 4.36Å; E39-K43 WeakPolarHBondContact O-CG 3.48Å; E39-K43 PolarHBondContact O-N 3.47Å; I40-K43 WeakPolarHBondContact O-CB 3.32Å; I40-K43 PolarHBondContact O-N 2.98Å; I40-K43 VanDerWaalsContact O-N 3.12Å; A41-K43 VanDerWaalsContact C-N 3.3Å; A41-K43 PolarHBondContact O-N 3.13Å; K43-H45 PolarHBondContact O-N 3.37Å; K43-N46 PolarHBondContact O-N 2.8Å; K43-A49 HydrophobicContact CB-CB 4.4Å; K43-I53 HydrophobicContact CB-CD1 3.81Å
44T96.5Very high95.6Very high1 Ų147.8 Ų47.81%0.00626%0.259CS..THydrogen-bonded Turntrans-65.7-15.7178.366.40000113.9I40 A41 D42 N46 I53 L81 G85 S86 V89I40-T44 WeakPolarHBondContact O-CG2 3.3Å; I40-T44 PolarHBondContact O-N 2.85Å; I40-T44 VanDerWaalsContact O-N 3.13Å; A41-T44 WeakPolarHBondContact O-CB 3.48Å; A41-T44 PolarHBondContact O-N 3.43Å; A41-T44 VanDerWaalsContact O-N 3.11Å; A41-T44 PolarHBondContact O-OG1 3.04Å; D42-T44 VanDerWaalsContact C-N 3.27Å; D42-T44 PolarHBondContact O-N 3Å; T44-N46 VanDerWaalsContact C-N 3.27Å; T44-N46 PolarHBondContact O-N 3.03Å; T44-I53 HydrophobicContact CG2-CD1 4.07Å; T44-I53 HydrophobicContact CG2-CG2 4.37Å; T44-L81 HydrophobicContact CG2-CD1 4.31Å; T44-L81 HydrophobicContact CG2-CD2 3.97Å; T44-G85 WeakPolarHBondContact OG1-CA 3.48Å; T44-S86 WeakPolarHBondContact O-CB 3.42Å; T44-S86 PolarHBondContact OG1-N 3.32Å; T44-V89 HydrophobicContact CG2-CG2 4.15Å
45H95.6Very high95.8Very high110 Ų11049.7 Ų49.751%0.50926%0.26SS..THydrogen-bonded Turntrans-73.4-20.4173.7-6092.1000112.5A41 D42 K43A41-H45 PolarHBondContact O-ND1 3.43Å; D42-H45 PolarHBondContact O-N 3.1Å; D42-H45 PolarHBondContact O-ND1 3.35Å; K43-H45 PolarHBondContact O-N 3.37Å
46N96.1Very high95.8Very high91 Ų9145.6 Ų45.649%0.48723%0.234SC..SBendtrans-85.4126.5173.4-178.4-54.8000110.4K43 T44 M48 A49 F50K43-N46 PolarHBondContact O-N 2.8Å; T44-N46 VanDerWaalsContact C-N 3.27Å; T44-N46 PolarHBondContact O-N 3.03Å; N46-M48 PolarHBondContact O-N 3.35Å; N46-M48 PolarHBondContact OD1-N 3.47Å; N46-A49 HydrophobicContact CB-CB 4.1Å; N46-A49 PolarHBondContact O-N 3.2Å; N46-A49 PolarHBondContact OD1-N 3.46Å; N46-F50 WeakPolarHBondContact O-CB 3.41Å; N46-F50 PolarHBondContact O-N 3.29Å
47V94.7Very high95.9Very high90 Ų9044.5 Ų44.555%0.54523%0.229SC..Hα-helixtrans-62.4-38.6-173.9-1770000113.4T51V47-T51 PolarHBondContact O-N 2.86Å; V47-T51 PolarHBondContact O-OG1 3.49Å
48M94.1Very high95.9Very high145 Ų14545.8 Ų45.871%0.71423%0.233SC*.Hα-helixtrans-70.2-50.4178.8-65.1-179.469.800110.5N46 F50 T51 E52N46-M48 PolarHBondContact O-N 3.35Å; N46-M48 PolarHBondContact OD1-N 3.47Å; M48-F50 VanDerWaalsContact C-N 3.3Å; M48-F50 PolarHBondContact O-N 3.18Å; M48-T51 PolarHBondContact O-N 3.39Å; M48-E52 PolarHBondContact O-N 2.81Å
49A95.7Very high95.9Very high13 Ų1351 Ų5111%0.10725%0.25CC..Hα-helixtrans-63.8-35179.200000112.3A17 K43 N46 T51 E52 I53A17-A49 HydrophobicContact CB-CB 3.99Å; K43-A49 HydrophobicContact CB-CB 4.4Å; N46-A49 HydrophobicContact CB-CB 4.1Å; N46-A49 PolarHBondContact O-N 3.2Å; N46-A49 PolarHBondContact OD1-N 3.46Å; A49-T51 VanDerWaalsContact C-N 3.34Å; A49-T51 PolarHBondContact O-N 3.05Å; A49-E52 PolarHBondContact O-N 3.13Å; A49-I53 HydrophobicContact CB-CD1 4.44Å; A49-I53 WeakPolarHBondContact O-CB 3.41Å; A49-I53 WeakPolarHBondContact O-CD1 3.28Å; A49-I53 WeakPolarHBondContact O-CG1 3.45Å; A49-I53 PolarHBondContact O-N 3.3Å
50F97.2Very high95.9Very high25 Ų2549.2 Ų49.211%0.1124%0.24CC..Hα-helixtrans-54.8-49.1175.8170.7-97.6000111.7N46 M48 E52 I53 M54 K88 V89 Q92N46-F50 WeakPolarHBondContact O-CB 3.41Å; N46-F50 PolarHBondContact O-N 3.29Å; M48-F50 VanDerWaalsContact C-N 3.3Å; M48-F50 PolarHBondContact O-N 3.18Å; F50-E52 VanDerWaalsContact C-N 3.35Å; F50-E52 PolarHBondContact O-N 3.48Å; F50-I53 PolarHBondContact O-N 2.94Å; F50-M54 HydrophobicContact CD2-CG 4.22Å; F50-M54 HydrophobicContact CE1-CG 4.44Å; F50-M54 HydrophobicContact CE2-CG 3.82Å; F50-M54 HydrophobicContact CZ-CG 3.94Å; F50-M54 WeakPolarHBondContact O-CB 3.27Å; F50-M54 WeakPolarHBondContact O-CG 3.35Å; F50-M54 PolarHBondContact O-N 2.92Å; F50-K88 HydrophobicContact CD2-CB 4.39Å; F50-K88 HydrophobicContact CE1-CB 4.34Å; F50-K88 HydrophobicContact CE2-CB 3.71Å; F50-K88 HydrophobicContact CZ-CB 3.69Å; F50-V89 HydrophobicContact CD2-CG2 4.25Å; F50-V89 HydrophobicContact CE2-CB 4.48Å; F50-V89 HydrophobicContact CE2-CG2 3.74Å; F50-Q92 HydrophobicContact CZ-CB 4.42Å
51T96Very high95.8Very high65 Ų6549.7 Ų49.740%0.39924%0.242SC..Hα-helixtrans-62.2-44.7-178.8-55.10000110.9V47 M48 A49 Q55V47-T51 PolarHBondContact O-N 2.86Å; V47-T51 PolarHBondContact O-OG1 3.49Å; M48-T51 PolarHBondContact O-N 3.39Å; A49-T51 VanDerWaalsContact C-N 3.34Å; A49-T51 PolarHBondContact O-N 3.05Å; T51-Q55 HydrophobicContact CG2-CG 4.46Å; T51-Q55 WeakPolarHBondContact O-CB 3.29Å; T51-Q55 WeakPolarHBondContact O-CG 3.48Å; T51-Q55 PolarHBondContact O-N 3.38Å
52E95.7Very high95.6Very high50 Ų5056.7 Ų56.723%0.23428%0.279CS..Hα-helixtrans-63.7-44.1178.2-66172.6176.800112.6T15 E18 M48 A49 F50 M56T15-E52 VanDerWaalsContact CB-OE2 3.31Å; T15-E52 WeakPolarHBondContact CB-OE2 3.37Å; T15-E52 WeakPolarHBondContact CG2-OE1 3.15Å; T15-E52 WeakPolarHBondContact CG2-OE2 3.42Å; T15-E52 PolarHBondContact OG1-OE2 2.88Å; E18-E52 HydrophobicContact CG-CB 3.89Å; M48-E52 PolarHBondContact O-N 2.81Å; A49-E52 PolarHBondContact O-N 3.13Å; F50-E52 VanDerWaalsContact C-N 3.35Å; F50-E52 PolarHBondContact O-N 3.48Å; E52-M56 WeakPolarHBondContact O-CB 3.34Å; E52-M56 PolarHBondContact O-N 3.34Å
53I97.1Very high95.4Very high0 Ų055.9 Ų55.90%028%0.275CS..Hα-helixtrans-60.7-52.2178.2-72.1163.8000109.9A17 V21 I40 K43 T44 A49 F50 M56 I57 L81A17-I53 HydrophobicContact CB-CD1 4.21Å; A17-I53 HydrophobicContact CB-CG1 3.96Å; V21-I53 HydrophobicContact CG2-CB 4.11Å; V21-I53 HydrophobicContact CG2-CG1 3.83Å; V21-I53 HydrophobicContact CG2-CG2 3.84Å; I40-I53 HydrophobicContact CG2-CD1 4.04Å; I40-I53 HydrophobicContact CG2-CG1 4.33Å; I40-I53 HydrophobicContact CG2-CG2 3.95Å; K43-I53 HydrophobicContact CB-CD1 3.81Å; T44-I53 HydrophobicContact CG2-CD1 4.07Å; T44-I53 HydrophobicContact CG2-CG2 4.37Å; A49-I53 HydrophobicContact CB-CD1 4.44Å; A49-I53 WeakPolarHBondContact O-CB 3.41Å; A49-I53 WeakPolarHBondContact O-CD1 3.28Å; A49-I53 WeakPolarHBondContact O-CG1 3.45Å; A49-I53 PolarHBondContact O-N 3.3Å; F50-I53 PolarHBondContact O-N 2.94Å; I53-M56 PolarHBondContact O-N 2.89Å; I53-I57 HydrophobicContact CG2-CD1 3.78Å; I53-I57 WeakPolarHBondContact O-CG1 3.32Å; I53-I57 PolarHBondContact O-N 2.97Å; I53-L81 HydrophobicContact CG2-CD1 4.07Å
54M96.1Very high95Very high1 Ų160.8 Ų60.81%0.00530%0.296CS..Hα-helixtrans-65.8-43.2-176.7-72-60-57.200111.7F50 M56 I57 W58 L78 V89 Q92F50-M54 HydrophobicContact CD2-CG 4.22Å; F50-M54 HydrophobicContact CE1-CG 4.44Å; F50-M54 HydrophobicContact CE2-CG 3.82Å; F50-M54 HydrophobicContact CZ-CG 3.94Å; F50-M54 WeakPolarHBondContact O-CB 3.27Å; F50-M54 WeakPolarHBondContact O-CG 3.35Å; F50-M54 PolarHBondContact O-N 2.92Å; M54-M56 VanDerWaalsContact C-N 3.3Å; M54-M56 PolarHBondContact O-N 3.49Å; M54-I57 PolarHBondContact O-N 3.08Å; M54-I57 HydrophobicContact SD-CD1 4.3Å; M54-W58 HydrophobicContact CE-CZ2 4.14Å; M54-W58 PolarHBondContact O-N 3.34Å; M54-L78 HydrophobicContact CE-CD1 4.03Å; M54-L78 HydrophobicContact SD-CD1 4.23Å; M54-V89 HydrophobicContact SD-CG1 4.18Å; M54-Q92 VanDerWaalsContact CB-OE1 3.31Å; M54-Q92 HydrophobicContact CE-CB 4.42Å; M54-Q92 HydrophobicContact CE-CG 4.23Å
55Q95.8Very high94.6Very high109 Ų10964 Ų6451%0.50932%0.319SS..Hα-helixtrans-60.2-38.5174.3-74.5177.6000112.6T51 R59T51-Q55 HydrophobicContact CG2-CG 4.46Å; T51-Q55 WeakPolarHBondContact O-CB 3.29Å; T51-Q55 WeakPolarHBondContact O-CG 3.48Å; T51-Q55 PolarHBondContact O-N 3.38Å; Q55-R59 WeakPolarHBondContact O-CB 3.44Å; Q55-R59 VanDerWaalsContact O-CG 3.3Å; Q55-R59 WeakPolarHBondContact O-CG 3.37Å; Q55-R59 PolarHBondContact O-N 2.83Å; Q55-R59 VanDerWaalsContact O-N 3.13Å; Q55-R59 PolarHBondContact O-NE 3.35Å
56M95Very high94.3Very high6 Ų666.8 Ų66.83%0.0333%0.329CS..Hα-helixtrans-68.2-39.1176.3-170.76673.200112Y14 E18 V21 R22 E52 I53 M54 R59 R60Y14-M56 HydrophobicContact CD1-CE 3.82Å; Y14-M56 HydrophobicContact CE1-CE 3.74Å; E18-M56 HydrophobicContact CB-CE 3.77Å; E18-M56 HydrophobicContact CG-CE 3.92Å; E18-M56 WeakPolarHBondContact OE1-CE 3.32Å; V21-M56 HydrophobicContact CB-CB 4.34Å; V21-M56 HydrophobicContact CB-CG 4.05Å; V21-M56 HydrophobicContact CG1-CB 3.85Å; V21-M56 HydrophobicContact CG1-CG 3.59Å; R22-M56 HydrophobicContact CG-CE 3.85Å; R22-M56 HydrophobicContact CG-CG 4.2Å; R22-M56 HydrophobicContact CG-SD 3.8Å; E52-M56 WeakPolarHBondContact O-CB 3.34Å; E52-M56 PolarHBondContact O-N 3.34Å; I53-M56 PolarHBondContact O-N 2.89Å; M54-M56 VanDerWaalsContact C-N 3.3Å; M54-M56 PolarHBondContact O-N 3.49Å; M56-R59 PolarHBondContact O-N 2.86Å; M56-R60 VanDerWaalsContact O-CG 3.27Å; M56-R60 WeakPolarHBondContact O-CG 3.29Å; M56-R60 PolarHBondContact O-N 2.74Å; M56-R60 VanDerWaalsContact O-N 3.11Å
57I97.1Very high94.2Very high0 Ų064.5 Ų64.50%032%0.317CS..Hα-helixtrans-64.1-48.9176.7-68.1168.6000110.6V21 I53 M54 R59 R60 L61 A74 L77 L78 L81V21-I57 HydrophobicContact CG1-CG1 3.85Å; I53-I57 HydrophobicContact CG2-CD1 3.78Å; I53-I57 WeakPolarHBondContact O-CG1 3.32Å; I53-I57 PolarHBondContact O-N 2.97Å; M54-I57 PolarHBondContact O-N 3.08Å; M54-I57 HydrophobicContact SD-CD1 4.3Å; I57-R59 VanDerWaalsContact C-N 3.31Å; I57-R59 PolarHBondContact O-N 3.14Å; I57-R60 CarbonylContact O-C 3.59Å; I57-R60 WeakPolarHBondContact O-CA 3.43Å; I57-R60 WeakPolarHBondContact O-CB 3.49Å; I57-R60 PolarHBondContact O-N 3.21Å; I57-L61 HydrophobicContact CG2-CD1 3.9Å; I57-L61 HydrophobicContact CG2-CG 4.27Å; I57-L61 WeakPolarHBondContact O-CG 3.33Å; I57-L61 PolarHBondContact O-N 3.06Å; I57-A74 HydrophobicContact CG2-CB 4.45Å; I57-L77 HydrophobicContact CD1-CD2 4.01Å; I57-L77 HydrophobicContact CD1-CG 4.32Å; I57-L77 HydrophobicContact CG1-CD2 4.13Å; I57-L78 HydrophobicContact CG2-CB 4.41Å; I57-L78 HydrophobicContact CG2-CD1 4.27Å; I57-L78 HydrophobicContact CG2-CD2 4.49Å; I57-L81 HydrophobicContact CD1-CD1 3.64Å
58W96.1Very high94.1Very high44 Ų4461.3 Ų61.317%0.16730%0.296CS..Hα-helixtrans-60.3-39.7178.3-68.7122.1000112.6M54 R60 L61 N62 Q92 N96 I100M54-W58 HydrophobicContact CE-CZ2 4.14Å; M54-W58 PolarHBondContact O-N 3.34Å; W58-R60 VanDerWaalsContact C-N 3.28Å; W58-R60 PolarHBondContact O-N 3.34Å; W58-L61 HydrophobicContact CD2-CD1 4.37Å; W58-L61 HydrophobicContact CE3-CD1 3.54Å; W58-L61 HydrophobicContact CZ3-CD1 3.67Å; W58-L61 PolarHBondContact O-N 2.81Å; W58-N62 PolarHBondContact O-N 2.7Å; W58-Q92 VanDerWaalsContact NE1-NE2 3.2Å; W58-N96 HydrophobicContact CH2-CB 3.78Å; W58-N96 HydrophobicContact CZ2-CB 3.76Å; W58-I100 HydrophobicContact CH2-CD1 4.09Å; W58-I100 HydrophobicContact CH2-CG1 3.95Å; W58-I100 HydrophobicContact CZ3-CG1 4.03Å
59R94.8Very high94.2Very high124 Ų12457 Ų5747%0.46827%0.271SS..Hα-helixtrans-59.8-37172.2-76.9-176.4-69.8178.5-6.1112.7E18 Q55 M56 I57E18-R59 IonicContact OE1-NH2 3.15Å; E18-R59 PolarHBondContact OE1-NH2 3.45Å; E18-R59 VanDerWaalsContact OE1-NH2 3.15Å; Q55-R59 WeakPolarHBondContact O-CB 3.44Å; Q55-R59 VanDerWaalsContact O-CG 3.3Å; Q55-R59 WeakPolarHBondContact O-CG 3.37Å; Q55-R59 PolarHBondContact O-N 2.83Å; Q55-R59 VanDerWaalsContact O-N 3.13Å; Q55-R59 PolarHBondContact O-NE 3.35Å; M56-R59 PolarHBondContact O-N 2.86Å; I57-R59 VanDerWaalsContact C-N 3.31Å; I57-R59 PolarHBondContact O-N 3.14Å
60R94.7Very high94.2Very high37 Ų3757.6 Ų57.614%0.1427%0.272CS..Hα-helixtrans-78-30.4179.7-72.1-78.9174.2159.5-13.9113.2T25 M56 I57 W58 N62 H70 A74T25-R60 PolarHBondContact O-NH1 2.98Å; M56-R60 VanDerWaalsContact O-CG 3.27Å; M56-R60 WeakPolarHBondContact O-CG 3.29Å; M56-R60 PolarHBondContact O-N 2.74Å; M56-R60 VanDerWaalsContact O-N 3.11Å; I57-R60 CarbonylContact O-C 3.59Å; I57-R60 WeakPolarHBondContact O-CA 3.43Å; I57-R60 WeakPolarHBondContact O-CB 3.49Å; I57-R60 PolarHBondContact O-N 3.21Å; W58-R60 VanDerWaalsContact C-N 3.28Å; W58-R60 PolarHBondContact O-N 3.34Å; R60-N62 VanDerWaalsContact C-N 3.32Å; R60-H70 PolarHBondContact NH1-CD2 3.31Å; R60-H70 PolarHBondContact NH1-CE1 3.15Å; R60-H70 VanDerWaalsContact NH1-CG 3.34Å; R60-H70 PolarHBondContact NH1-ND1 3.28Å; R60-H70 PolarHBondContact NH1-NE2 3.41Å; R60-A74 HydrophobicContact CB-CB 3.89Å
61L95.3Very high94.1Very high10 Ų1056.4 Ų56.45%0.05227%0.266CS..Hα-helixtrans-68.1-33.8174.2-73170.1000111.7I57 W58 D63 V71 A74 L75 L78 L103I57-L61 HydrophobicContact CG2-CD1 3.9Å; I57-L61 HydrophobicContact CG2-CG 4.27Å; I57-L61 WeakPolarHBondContact O-CG 3.33Å; I57-L61 PolarHBondContact O-N 3.06Å; W58-L61 HydrophobicContact CD2-CD1 4.37Å; W58-L61 HydrophobicContact CE3-CD1 3.54Å; W58-L61 HydrophobicContact CZ3-CD1 3.67Å; W58-L61 PolarHBondContact O-N 2.81Å; L61-D63 VanDerWaalsContact C-N 3.33Å; L61-D63 PolarHBondContact O-N 3.17Å; L61-V71 HydrophobicContact CD2-CG1 4.5Å; L61-A74 HydrophobicContact CD2-CB 3.75Å; L61-A74 HydrophobicContact CG-CB 3.93Å; L61-L75 HydrophobicContact CD2-CD2 3.66Å; L61-L75 HydrophobicContact CD2-CG 3.65Å; L61-L78 HydrophobicContact CD1-CD2 4.08Å; L61-L103 HydrophobicContact CB-CD1 4.39Å; L61-L103 HydrophobicContact CD2-CD1 3.71Å
62N93.2Very high94.1Very high147 Ų14756.8 Ų56.879%0.78626%0.261SS*.THydrogen-bonded Turntrans-94.830.6178.2-160.839.4000113.6W58 R60W58-N62 PolarHBondContact O-N 2.7Å; R60-N62 VanDerWaalsContact C-N 3.32Å
63D90.7Very high94.2Very high48 Ų4854.7 Ų54.726%0.25725%0.251SS..SBendtrans-77.9168.5173.2-153.3-26000110.7L61 N67 H70 V71L61-D63 VanDerWaalsContact C-N 3.33Å; L61-D63 PolarHBondContact O-N 3.17Å; D63-N67 HydrophobicContact CB-CB 4.3Å; D63-N67 PolarHBondContact OD1-ND2 3.14Å; D63-N67 PolarHBondContact OD2-ND2 2.83Å; D63-H70 HydrophobicContact CB-CB 4.45Å; D63-H70 IonicContact OD2-CE1 3.76Å; D63-H70 IonicContact OD2-CG 3.68Å; D63-H70 IonicContact OD2-ND1 3.66Å; D63-H70 PolarHBondContact OD2-ND1 2.98Å; D63-V71 HydrophobicContact CB-CG2 4.36Å
64K88.7Confident94.2Very high160 Ų16054.7 Ų54.770%0.69625%0.251SS*.  trans-61.4149.5179.1-60.3-177.2-179.6-175.30110.9K66 N67K64-K66 PolarHBondContact O-N 2.67Å; K64-K66 VanDerWaalsContact O-N 3.1Å; K64-N67 WeakPolarHBondContact O-CA 3.4Å; K64-N67 WeakPolarHBondContact O-CB 3.35Å; K64-N67 PolarHBondContact O-N 3.13Å
65S87.3Confident94.2Very high69 Ų6954.7 Ų54.748%0.48325%0.251SS..G310 helixtrans-55.4-32.517856.70000113.7N67 W68 C108S65-N67 PolarHBondContact O-N 3.48Å; S65-W68 PolarHBondContact O-N 3.28Å; S65-C108 PolarHBondContact O-SG 3.19Å
66K89.8Confident94.2Very high168 Ų16850.8 Ų50.873%0.7324%0.235SC*.G310 helixtrans-60-30.4172.8-174174179.9175.20113.3K64 W68K64-K66 PolarHBondContact O-N 2.67Å; K64-K66 VanDerWaalsContact O-N 3.1Å; K66-W68 PolarHBondContact O-N 3.33Å
67N92.5Very high94.4Very high43 Ų4350.5 Ų50.523%0.2323%0.233CC..G310 helixtrans-92.240.5179.1-65.3-29.3000111.6D63 K64 S65 R69 H70 V71D63-N67 HydrophobicContact CB-CB 4.3Å; D63-N67 PolarHBondContact OD1-ND2 3.14Å; D63-N67 PolarHBondContact OD2-ND2 2.83Å; K64-N67 WeakPolarHBondContact O-CA 3.4Å; K64-N67 WeakPolarHBondContact O-CB 3.35Å; K64-N67 PolarHBondContact O-N 3.13Å; S65-N67 PolarHBondContact O-N 3.48Å; N67-R69 PolarHBondContact O-N 3.25Å; N67-H70 HydrophobicContact CB-CB 4.47Å; N67-H70 WeakPolarHBondContact O-CB 3.35Å; N67-H70 PolarHBondContact O-N 3.42Å; N67-V71 PolarHBondContact O-N 2.96Å
68W94.1Very high94.4Very high24 Ų2450.5 Ų50.59%0.09123%0.233CC..Hα-helixtrans-53.4-29.4-177.569.7-95.6000113.3S65 K66 H70 V71 Y72 F106 C108 E110 R115S65-W68 PolarHBondContact O-N 3.28Å; K66-W68 PolarHBondContact O-N 3.33Å; W68-H70 PolarHBondContact O-N 3.23Å; W68-V71 PolarHBondContact O-N 3.03Å; W68-Y72 VanDerWaalsContact O-CB 3.29Å; W68-Y72 WeakPolarHBondContact O-CB 3.5Å; W68-Y72 PolarHBondContact O-N 3.07Å; W68-F106 HydrophobicContact CB-CE1 3.82Å; W68-F106 HydrophobicContact CB-CZ 4.03Å; W68-C108 HydrophobicContact CB-CB 4.31Å; W68-E110 PolarHBondContact NE1-OE2 2.77Å; W68-R115 HydrophobicContact CD2-CB 3.75Å; W68-R115 HydrophobicContact CD2-CG 4.42Å; W68-R115 HydrophobicContact CE3-CB 4.31Å; W68-R115 HydrophobicContact CG-CB 3.96Å; W68-R115 HydrophobicContact CZ2-CB 4.12Å; W68-R115 HydrophobicContact CZ2-CG 4.01Å
69R95.2Very high94.3Very high55 Ų5549.3 Ų49.321%0.20823%0.23CC..Hα-helixtrans-63.9-37.1176-63.3-178.3178.378.40.5112.5N27 N67 K73 E110N27-R69 WeakPolarHBondContact O-CD 3.27Å; N27-R69 WeakPolarHBondContact OD1-CB 3.44Å; N27-R69 WeakPolarHBondContact OD1-CD 3.36Å; N67-R69 PolarHBondContact O-N 3.25Å; R69-K73 VanDerWaalsContact O-CB 3.27Å; R69-K73 WeakPolarHBondContact O-CB 3.41Å; R69-K73 VanDerWaalsContact O-CG 3.25Å; R69-K73 WeakPolarHBondContact O-CG 3.32Å; R69-K73 PolarHBondContact O-N 2.99Å; R69-E110 IonicContact NH1-OE1 2.7Å; R69-E110 IonicContact NH1-OE2 3.64Å; R69-E110 IonicContact NH2-OE2 2.67Å
70H95.6Very high94.4Very high24 Ų2445.8 Ų45.811%0.11122%0.217CC..Hα-helixtrans-65-46.4175.3-69.1168.9000110.8T25 N27 R60 D63 N67 W68 A74T25-H70 PolarHBondContact O-CD2 2.76Å; N27-H70 WeakPolarHBondContact CB-NE2 3.41Å; N27-H70 PolarHBondContact N-CD2 3.28Å; N27-H70 PolarHBondContact N-NE2 3.42Å; R60-H70 PolarHBondContact NH1-CD2 3.31Å; R60-H70 PolarHBondContact NH1-CE1 3.15Å; R60-H70 VanDerWaalsContact NH1-CG 3.34Å; R60-H70 PolarHBondContact NH1-ND1 3.28Å; R60-H70 PolarHBondContact NH1-NE2 3.41Å; D63-H70 HydrophobicContact CB-CB 4.45Å; D63-H70 IonicContact OD2-CE1 3.76Å; D63-H70 IonicContact OD2-CG 3.68Å; D63-H70 IonicContact OD2-ND1 3.66Å; D63-H70 PolarHBondContact OD2-ND1 2.98Å; N67-H70 HydrophobicContact CB-CB 4.47Å; N67-H70 WeakPolarHBondContact O-CB 3.35Å; N67-H70 PolarHBondContact O-N 3.42Å; W68-H70 PolarHBondContact O-N 3.23Å; H70-A74 WeakPolarHBondContact O-CB 3.11Å; H70-A74 PolarHBondContact O-N 3.3Å
71V95.6Very high94.5Very high0 Ų044 Ų440%021%0.21CC..Hα-helixtrans-63.1-49.2179-176.90000110.6L61 D63 N67 W68 A74 L75 L103 F106 V119L61-V71 HydrophobicContact CD2-CG1 4.5Å; D63-V71 HydrophobicContact CB-CG2 4.36Å; N67-V71 PolarHBondContact O-N 2.96Å; W68-V71 PolarHBondContact O-N 3.03Å; V71-A74 PolarHBondContact O-N 3.17Å; V71-L75 PolarHBondContact O-N 3.5Å; V71-L103 HydrophobicContact CG1-CD1 3.97Å; V71-L103 HydrophobicContact CG1-CD2 3.8Å; V71-L103 HydrophobicContact CG1-CG 4.49Å; V71-F106 HydrophobicContact CG1-CE2 4.47Å; V71-F106 HydrophobicContact CG2-CE2 4.24Å; V71-F106 HydrophobicContact CG2-CZ 4.42Å; V71-V119 HydrophobicContact CG1-CG1 3.8Å
72Y96.1Very high94.5Very high73 Ų7343.7 Ų43.729%0.28621%0.208SC..Hα-helixtrans-59.5-50178.3-177.6-104.3000112.2W68 A74 L75 V76 N118 V119 K122W68-Y72 VanDerWaalsContact O-CB 3.29Å; W68-Y72 WeakPolarHBondContact O-CB 3.5Å; W68-Y72 PolarHBondContact O-N 3.07Å; Y72-A74 VanDerWaalsContact C-N 3.3Å; Y72-A74 PolarHBondContact O-N 3.04Å; Y72-L75 WeakPolarHBondContact O-CB 3.25Å; Y72-L75 PolarHBondContact O-N 3.3Å; Y72-V76 HydrophobicContact CD1-CG2 4.18Å; Y72-V76 HydrophobicContact CE1-CG2 3.8Å; Y72-V76 HydrophobicContact CE2-CG2 4.48Å; Y72-V76 WeakPolarHBondContact O-CG2 3.48Å; Y72-V76 PolarHBondContact O-N 3.37Å; Y72-N118 HydrophobicContact CD2-CB 4.13Å; Y72-N118 HydrophobicContact CE2-CB 3.89Å; Y72-V119 HydrophobicContact CD2-CG2 4.32Å; Y72-K122 HydrophobicContact CD2-CB 4.48Å; Y72-K122 HydrophobicContact CE2-CB 4.16Å; Y72-K122 HydrophobicContact CE2-CG 4.42Å
73K96.9Very high94.7Very high7 Ų738 Ų383%0.0318%0.176CC..Hα-helixtrans-69.1-29.8-179.1-67.9171.273174.30112A24 S26 D28 W30 R69 V76 L77A24-K73 WeakPolarHBondContact O-CE 3.38Å; S26-K73 VanDerWaalsContact O-CD 3.31Å; S26-K73 WeakPolarHBondContact O-CD 3.48Å; S26-K73 WeakPolarHBondContact O-CE 3.34Å; S26-K73 PolarHBondContact O-NZ 3.39Å; S26-K73 PolarHBondContact OG-NZ 3.48Å; S26-K73 VanDerWaalsContact OG-NZ 3.14Å; D28-K73 PolarHBondContact O-NZ 3.36Å; W30-K73 WeakPolarHBondContact O-CE 3.44Å; W30-K73 PolarHBondContact O-NZ 2.93Å; R69-K73 VanDerWaalsContact O-CB 3.27Å; R69-K73 WeakPolarHBondContact O-CB 3.41Å; R69-K73 VanDerWaalsContact O-CG 3.25Å; R69-K73 WeakPolarHBondContact O-CG 3.32Å; R69-K73 PolarHBondContact O-N 2.99Å; K73-V76 PolarHBondContact O-N 3.1Å; K73-L77 WeakPolarHBondContact O-CB 3.49Å; K73-L77 PolarHBondContact O-N 3.2Å
74A97.1Very high94.9Very high0 Ų035.9 Ų35.90%017%0.165CC..Hα-helixtrans-65.5-42.1170.900000111.7T25 I57 R60 L61 H70 V71 Y72 L77 L78T25-A74 HydrophobicContact CG2-CB 4.08Å; I57-A74 HydrophobicContact CG2-CB 4.45Å; R60-A74 HydrophobicContact CB-CB 3.89Å; L61-A74 HydrophobicContact CD2-CB 3.75Å; L61-A74 HydrophobicContact CG-CB 3.93Å; H70-A74 WeakPolarHBondContact O-CB 3.11Å; H70-A74 PolarHBondContact O-N 3.3Å; V71-A74 PolarHBondContact O-N 3.17Å; Y72-A74 VanDerWaalsContact C-N 3.3Å; Y72-A74 PolarHBondContact O-N 3.04Å; A74-L77 PolarHBondContact O-N 3.33Å; A74-L78 VanDerWaalsContact O-CB 3.3Å; A74-L78 WeakPolarHBondContact O-CB 3.46Å; A74-L78 PolarHBondContact O-N 3.41Å
75L96.8Very high95.2Very high0 Ų028.2 Ų28.20%013%0.132CC..Hα-helixtrans-63.4-42.6173.5-73.4172.9000112.5L61 V71 Y72 L78 E79 I100 L103 V119 K122 A123 L126L61-L75 HydrophobicContact CD2-CD2 3.66Å; L61-L75 HydrophobicContact CD2-CG 3.65Å; V71-L75 PolarHBondContact O-N 3.5Å; Y72-L75 WeakPolarHBondContact O-CB 3.25Å; Y72-L75 PolarHBondContact O-N 3.3Å; L75-L78 PolarHBondContact O-N 3.19Å; L75-E79 PolarHBondContact O-N 3.41Å; L75-I100 HydrophobicContact CD2-CG2 4.28Å; L75-L103 HydrophobicContact CD1-CD1 4.18Å; L75-L103 HydrophobicContact CD2-CD1 3.95Å; L75-L103 HydrophobicContact CG-CD1 4.24Å; L75-V119 HydrophobicContact CD1-CG1 3.89Å; L75-K122 HydrophobicContact CB-CG 3.96Å; L75-K122 HydrophobicContact CD1-CB 4.34Å; L75-A123 HydrophobicContact CD1-CB 4.08Å; L75-L126 HydrophobicContact CD2-CD2 4.04Å
76V96.7Very high95.6Very high27 Ų2725.7 Ų25.716%0.16411%0.114CC..Hα-helixtrans-59.4-47.6175.9172.10000110.8P32 M37 Y72 K73 Y80P32-V76 HydrophobicContact CG-CG1 3.89Å; M37-V76 HydrophobicContact SD-CG1 4.3Å; Y72-V76 HydrophobicContact CD1-CG2 4.18Å; Y72-V76 HydrophobicContact CE1-CG2 3.8Å; Y72-V76 HydrophobicContact CE2-CG2 4.48Å; Y72-V76 WeakPolarHBondContact O-CG2 3.48Å; Y72-V76 PolarHBondContact O-N 3.37Å; K73-V76 PolarHBondContact O-N 3.1Å; V76-Y80 PolarHBondContact O-N 3.18Å; V76-Y80 VanDerWaalsContact O-N 3.15Å
77L97.3Very high95.8Very high0 Ų022.3 Ų22.30%010%0.104CC..Hα-helixtrans-63-44.4177.1179.463.6000111.1V21 A24 T25 M37 I40 I57 K73 A74 E79 Y80 L81V21-L77 HydrophobicContact CG1-CD2 4.07Å; A24-L77 HydrophobicContact CB-CD1 4.41Å; A24-L77 HydrophobicContact CB-CD2 4.03Å; T25-L77 HydrophobicContact CG2-CD2 4.18Å; M37-L77 HydrophobicContact CB-CD1 4.28Å; M37-L77 HydrophobicContact CG-CD1 3.94Å; I40-L77 HydrophobicContact CB-CD1 4.5Å; I40-L77 HydrophobicContact CD1-CD1 3.94Å; I40-L77 HydrophobicContact CD1-CD2 4.13Å; I40-L77 HydrophobicContact CG2-CD1 4.39Å; I57-L77 HydrophobicContact CD1-CD2 4.01Å; I57-L77 HydrophobicContact CD1-CG 4.32Å; I57-L77 HydrophobicContact CG1-CD2 4.13Å; K73-L77 WeakPolarHBondContact O-CB 3.49Å; K73-L77 PolarHBondContact O-N 3.2Å; A74-L77 PolarHBondContact O-N 3.33Å; L77-E79 PolarHBondContact O-N 3.5Å; L77-Y80 PolarHBondContact O-N 3.27Å; L77-L81 HydrophobicContact CD1-CD1 4.24Å; L77-L81 HydrophobicContact CD1-CD2 4.49Å; L77-L81 HydrophobicContact CD1-CG 4.14Å; L77-L81 HydrophobicContact CG-CD1 4.01Å; L77-L81 HydrophobicContact CG-CG 4.29Å; L77-L81 VanDerWaalsContact O-CG 3.28Å; L77-L81 WeakPolarHBondContact O-CG 3.48Å; L77-L81 PolarHBondContact O-N 2.98Å
78L96.9Very high95.9Very high0 Ų025.3 Ų25.30%012%0.115CC..Hα-helixtrans-61.5-44.6-178.9-169.258.3000111.7M54 I57 L61 A74 L75 Y80 L81 S82 V89 C93 I100 L126M54-L78 HydrophobicContact CE-CD1 4.03Å; M54-L78 HydrophobicContact SD-CD1 4.23Å; I57-L78 HydrophobicContact CG2-CB 4.41Å; I57-L78 HydrophobicContact CG2-CD1 4.27Å; I57-L78 HydrophobicContact CG2-CD2 4.49Å; L61-L78 HydrophobicContact CD1-CD2 4.08Å; A74-L78 VanDerWaalsContact O-CB 3.3Å; A74-L78 WeakPolarHBondContact O-CB 3.46Å; A74-L78 PolarHBondContact O-N 3.41Å; L75-L78 PolarHBondContact O-N 3.19Å; L78-Y80 VanDerWaalsContact C-N 3.34Å; L78-Y80 PolarHBondContact O-N 2.68Å; L78-L81 PolarHBondContact O-N 3.49Å; L78-S82 PolarHBondContact O-N 2.93Å; L78-S82 PolarHBondContact O-OG 3.03Å; L78-S82 VanDerWaalsContact O-OG 3.05Å; L78-V89 HydrophobicContact CD1-CG1 4.22Å; L78-C93 WeakPolarHBondContact CD1-SG 3.38Å; L78-I100 HydrophobicContact CD2-CD1 3.9Å; L78-I100 HydrophobicContact CD2-CG1 4.4Å; L78-L126 HydrophobicContact CB-CD2 4.22Å; L78-L126 HydrophobicContact CD2-CD2 3.96Å; L78-L126 HydrophobicContact CG-CD2 4.11Å
79E96Very high96Very high19 Ų1924.1 Ų24.19%0.08911%0.111CC..Hα-helixtrans-59.9-44175-174-169.5141.200112L75 L77 L81 S82 K83 K122 H125 L126L75-E79 PolarHBondContact O-N 3.41Å; L77-E79 PolarHBondContact O-N 3.5Å; E79-L81 VanDerWaalsContact C-N 3.33Å; E79-L81 PolarHBondContact O-N 2.72Å; E79-S82 PolarHBondContact O-N 3.35Å; E79-K83 HydrophobicContact CG-CD 4.41Å; E79-K83 WeakPolarHBondContact O-CG 3.49Å; E79-K83 PolarHBondContact O-N 3.2Å; E79-K83 IonicContact OE1-NZ 2.67Å; E79-K83 PolarHBondContact OE1-NZ 3.46Å; E79-K122 IonicContact OE1-NZ 3.76Å; E79-K122 WeakPolarHBondContact OE2-CD 3.24Å; E79-K122 WeakPolarHBondContact OE2-CE 2.9Å; E79-K122 IonicContact OE2-NZ 2.7Å; E79-K122 PolarHBondContact OE2-NZ 2.99Å; E79-H125 IonicContact OE1-CD2 3.17Å; E79-H125 IonicContact OE1-NE2 3.86Å; E79-H125 IonicContact OE2-CD2 3.59Å; E79-L126 HydrophobicContact CB-CD1 3.99Å; E79-L126 HydrophobicContact CG-CD1 4.19Å
80Y96.4Very high96Very high51 Ų5122 Ų2220%0.211%0.105CC..Hα-helixtrans-62.5-41.2177.7-177.6-92.5000111.8M37 A41 V76 L77 L78 K83 T84M37-Y80 VanDerWaalsContact C-CE1 3.43Å; M37-Y80 HydrophobicContact CB-CD1 3.56Å; M37-Y80 HydrophobicContact CB-CE1 3.63Å; M37-Y80 HydrophobicContact CB-CG 4.06Å; M37-Y80 HydrophobicContact CE-CD2 4.41Å; M37-Y80 WeakPolarHBondContact O-CE1 3.45Å; M37-Y80 HydrophobicContact SD-CG 4.15Å; A41-Y80 HydrophobicContact CB-CE1 3.99Å; V76-Y80 PolarHBondContact O-N 3.18Å; V76-Y80 VanDerWaalsContact O-N 3.15Å; L77-Y80 PolarHBondContact O-N 3.27Å; L78-Y80 VanDerWaalsContact C-N 3.34Å; L78-Y80 PolarHBondContact O-N 2.68Å; Y80-K83 PolarHBondContact O-N 3.41Å; Y80-T84 VanDerWaalsContact CD1-OG1 3.32Å; Y80-T84 WeakPolarHBondContact CD1-OG1 3.44Å; Y80-T84 HydrophobicContact CD2-CG2 4.42Å; Y80-T84 HydrophobicContact CE1-CG2 4.32Å; Y80-T84 WeakPolarHBondContact CE1-OG1 3.42Å; Y80-T84 HydrophobicContact CE2-CG2 3.97Å; Y80-T84 PolarHBondContact O-N 3.26Å; Y80-T84 PolarHBondContact O-OG1 3.38Å
81L96.8Very high96Very high0 Ų023.7 Ų23.70%012%0.117CC..Hα-helixtrans-69.7-36.6178.1-65.8179.3000112.5I40 A41 T44 I53 I57 L77 L78 E79 K83 G85 V89I40-L81 HydrophobicContact CB-CD2 4.46Å; I40-L81 HydrophobicContact CG2-CD1 4.09Å; I40-L81 HydrophobicContact CG2-CD2 3.99Å; A41-L81 VanDerWaalsContact CA-CD2 3.42Å; A41-L81 HydrophobicContact CB-CD2 3.73Å; T44-L81 HydrophobicContact CG2-CD1 4.31Å; T44-L81 HydrophobicContact CG2-CD2 3.97Å; I53-L81 HydrophobicContact CG2-CD1 4.07Å; I57-L81 HydrophobicContact CD1-CD1 3.64Å; L77-L81 HydrophobicContact CD1-CD1 4.24Å; L77-L81 HydrophobicContact CD1-CD2 4.49Å; L77-L81 HydrophobicContact CD1-CG 4.14Å; L77-L81 HydrophobicContact CG-CD1 4.01Å; L77-L81 HydrophobicContact CG-CG 4.29Å; L77-L81 VanDerWaalsContact O-CG 3.28Å; L77-L81 WeakPolarHBondContact O-CG 3.48Å; L77-L81 PolarHBondContact O-N 2.98Å; L78-L81 PolarHBondContact O-N 3.49Å; E79-L81 VanDerWaalsContact C-N 3.33Å; E79-L81 PolarHBondContact O-N 2.72Å; L81-K83 PolarHBondContact O-N 3.1Å; L81-G85 VanDerWaalsContact O-CA 3.31Å; L81-G85 WeakPolarHBondContact O-CA 3.45Å; L81-G85 PolarHBondContact O-N 3.17Å; L81-V89 HydrophobicContact CB-CG1 3.9Å; L81-V89 HydrophobicContact CB-CG2 4.43Å
82S95.8Very high96Very high2 Ų225.7 Ų25.71%0.01413%0.126CC..Hα-helixtrans-61.2-33.5173.3-60.20000111.9L78 E79L78-S82 PolarHBondContact O-N 2.93Å; L78-S82 PolarHBondContact O-OG 3.03Å; L78-S82 VanDerWaalsContact O-OG 3.05Å; E79-S82 PolarHBondContact O-N 3.35Å
83K95.7Very high96Very high27 Ų2722.2 Ų22.212%0.11711%0.113CC..Hα-helixtrans-83-41.5178.3-67173.2178.6177.60113E79 Y80 L81 L129 E139 R140 A143E79-K83 HydrophobicContact CG-CD 4.41Å; E79-K83 WeakPolarHBondContact O-CG 3.49Å; E79-K83 PolarHBondContact O-N 3.2Å; E79-K83 IonicContact OE1-NZ 2.67Å; E79-K83 PolarHBondContact OE1-NZ 3.46Å; Y80-K83 PolarHBondContact O-N 3.41Å; L81-K83 PolarHBondContact O-N 3.1Å; K83-L129 VanDerWaalsContact CE-CD2 3.41Å; K83-L129 HydrophobicContact CG-CD2 4.41Å; K83-E139 IonicContact NZ-OE2 3.25Å; K83-R140 WeakPolarHBondContact O-CA 3.48Å; K83-R140 WeakPolarHBondContact O-CB 3.2Å; K83-R140 VanDerWaalsContact O-CG 3.25Å; K83-R140 WeakPolarHBondContact O-CG 3.4Å; K83-R140 PolarHBondContact O-NH1 2.93Å; K83-R140 VanDerWaalsContact O-NH1 3.1Å; K83-A143 HydrophobicContact CB-CB 3.9Å
84T95.5Very high95.9Very high4 Ų425.4 Ų25.43%0.02512%0.124CC..Hα-helixtrans-117.9-13.3-167.6650000115.9Y80 A143Y80-T84 VanDerWaalsContact CD1-OG1 3.32Å; Y80-T84 WeakPolarHBondContact CD1-OG1 3.44Å; Y80-T84 HydrophobicContact CD2-CG2 4.42Å; Y80-T84 HydrophobicContact CE1-CG2 4.32Å; Y80-T84 WeakPolarHBondContact CE1-OG1 3.42Å; Y80-T84 HydrophobicContact CE2-CG2 3.97Å; Y80-T84 PolarHBondContact O-N 3.26Å; Y80-T84 PolarHBondContact O-OG1 3.38Å; T84-A143 HydrophobicContact CG2-CB 3.88Å
85G95Very high95.8Very high0 Ų031.7 Ų31.70%015%0.154CC..SBendtrans-84.7-157.2-176.800000113.2T44 L81 R140T44-G85 WeakPolarHBondContact OG1-CA 3.48Å; L81-G85 VanDerWaalsContact O-CA 3.31Å; L81-G85 WeakPolarHBondContact O-CA 3.45Å; L81-G85 PolarHBondContact O-N 3.17Å; G85-R140 PolarHBondContact O-NH1 3.35Å; G85-R140 PolarHBondContact O-NH2 3.31Å
86S95.6Very high95.6Very high15 Ų1534.8 Ų34.811%0.10517%0.17CC..  trans-70.1144.2171.6176.20000111.6T44 K88 V89T44-S86 WeakPolarHBondContact O-CB 3.42Å; T44-S86 PolarHBondContact OG1-N 3.32Å; S86-K88 PolarHBondContact O-N 3.23Å; S86-K88 PolarHBondContact OG-N 2.9Å; S86-V89 WeakPolarHBondContact O-CB 3.49Å; S86-V89 WeakPolarHBondContact O-CG2 3.49Å; S86-V89 PolarHBondContact O-N 3.37Å
87D93.9Very high95.5Very high98 Ų9834.6 Ų34.652%0.52417%0.168SC..Hα-helixtrans-57.5-25.2177.8-57.3-77.3000112.6V89 A90 T91 R140D87-V89 PolarHBondContact O-N 3.12Å; D87-V89 VanDerWaalsContact O-N 3.17Å; D87-A90 PolarHBondContact O-N 2.85Å; D87-A90 VanDerWaalsContact O-N 3.12Å; D87-T91 PolarHBondContact O-N 3.18Å; D87-T91 PolarHBondContact O-OG1 3.14Å; D87-R140 VanDerWaalsContact CG-NH2 3.25Å; D87-R140 IonicContact OD1-CZ 3.41Å; D87-R140 VanDerWaalsContact OD1-CZ 3.23Å; D87-R140 IonicContact OD1-NE 3.62Å; D87-R140 PolarHBondContact OD1-NE 2.95Å; D87-R140 IonicContact OD1-NH2 3.1Å; D87-R140 PolarHBondContact OD1-NH2 3.2Å; D87-R140 IonicContact OD2-NH2 3.93Å; D87-R140 PolarHBondContact OD2-NH2 3.38Å; D87-R140 VanDerWaalsContact OD2-NH2 3.12Å
88K95.3Very high95.5Very high105 Ų10540.9 Ų40.946%0.45720%0.198SC..Hα-helixtrans-56.9-29.3173.6-63.3-175.3178.4-177.60113.3F50 S86 T91 Q92F50-K88 HydrophobicContact CD2-CB 4.39Å; F50-K88 HydrophobicContact CE1-CB 4.34Å; F50-K88 HydrophobicContact CE2-CB 3.71Å; F50-K88 HydrophobicContact CZ-CB 3.69Å; S86-K88 PolarHBondContact O-N 3.23Å; S86-K88 PolarHBondContact OG-N 2.9Å; K88-T91 PolarHBondContact O-N 3.15Å; K88-Q92 PolarHBondContact O-N 3.3Å
89V96.5Very high95.4Very high0 Ų043.6 Ų43.60%022%0.216CC..Hα-helixtrans-63.7-46.6177.8179.30000110.1T44 F50 M54 L78 L81 S86 D87 Q92 C93T44-V89 HydrophobicContact CG2-CG2 4.15Å; F50-V89 HydrophobicContact CD2-CG2 4.25Å; F50-V89 HydrophobicContact CE2-CB 4.48Å; F50-V89 HydrophobicContact CE2-CG2 3.74Å; M54-V89 HydrophobicContact SD-CG1 4.18Å; L78-V89 HydrophobicContact CD1-CG1 4.22Å; L81-V89 HydrophobicContact CB-CG1 3.9Å; L81-V89 HydrophobicContact CB-CG2 4.43Å; S86-V89 WeakPolarHBondContact O-CB 3.49Å; S86-V89 WeakPolarHBondContact O-CG2 3.49Å; S86-V89 PolarHBondContact O-N 3.37Å; D87-V89 PolarHBondContact O-N 3.12Å; D87-V89 VanDerWaalsContact O-N 3.17Å; V89-Q92 PolarHBondContact O-N 3.27Å; V89-C93 WeakPolarHBondContact O-CB 3.32Å; V89-C93 PolarHBondContact O-N 2.98Å; V89-C93 PolarHBondContact O-SG 2.82Å
90A95.1Very high95.3Very high10 Ų1042.7 Ų42.78%0.08321%0.212CC..Hα-helixtrans-61.9-45.3178.600000111.2D87 Q92 C93 R94 L136D87-A90 PolarHBondContact O-N 2.85Å; D87-A90 VanDerWaalsContact O-N 3.12Å; A90-Q92 PolarHBondContact O-N 2.89Å; A90-C93 PolarHBondContact O-N 3.48Å; A90-R94 WeakPolarHBondContact O-CG 3.35Å; A90-R94 PolarHBondContact O-N 3.04Å; A90-L136 HydrophobicContact CB-CD2 3.76Å
91T95Very high95.3Very high59 Ų5941.9 Ų41.936%0.36221%0.21SC..Hα-helixtrans-57.1-51.9176.5-52.20000111.9D87 K88 C93 R94 E95D87-T91 PolarHBondContact O-N 3.18Å; D87-T91 PolarHBondContact O-OG1 3.14Å; K88-T91 PolarHBondContact O-N 3.15Å; T91-C93 VanDerWaalsContact C-N 3.28Å; T91-C93 PolarHBondContact O-N 3.13Å; T91-R94 PolarHBondContact O-N 3.4Å; T91-R94 VanDerWaalsContact O-N 3.12Å; T91-E95 WeakPolarHBondContact O-CG 3.02Å; T91-E95 PolarHBondContact O-N 2.86Å
92Q95.2Very high95.2Very high42 Ų4246.5 Ų46.520%0.19624%0.239CC..Hα-helixtrans-64.2-32.9-179.2-170.4-177.5-8.200112.8F50 M54 W58 K88 V89 A90 N96F50-Q92 HydrophobicContact CZ-CB 4.42Å; M54-Q92 VanDerWaalsContact CB-OE1 3.31Å; M54-Q92 HydrophobicContact CE-CB 4.42Å; M54-Q92 HydrophobicContact CE-CG 4.23Å; W58-Q92 VanDerWaalsContact NE1-NE2 3.2Å; K88-Q92 PolarHBondContact O-N 3.3Å; V89-Q92 PolarHBondContact O-N 3.27Å; A90-Q92 PolarHBondContact O-N 2.89Å; Q92-N96 PolarHBondContact O-N 3.49Å; Q92-N96 PolarHBondContact O-ND2 3.42Å
93C95.8Very high95.2Very high0 Ų047.1 Ų47.10%024%0.241CC..Hα-helixtrans-68.4-36.5175.6-67.40000112.3L78 V89 A90 T91 N96 I97 I100 L130L78-C93 WeakPolarHBondContact CD1-SG 3.38Å; V89-C93 WeakPolarHBondContact O-CB 3.32Å; V89-C93 PolarHBondContact O-N 2.98Å; V89-C93 PolarHBondContact O-SG 2.82Å; A90-C93 PolarHBondContact O-N 3.48Å; T91-C93 VanDerWaalsContact C-N 3.28Å; T91-C93 PolarHBondContact O-N 3.13Å; C93-N96 CarbonylContact O-C 3.58Å; C93-N96 PolarHBondContact O-N 2.89Å; C93-I97 VanDerWaalsContact O-CA 3.27Å; C93-I97 WeakPolarHBondContact O-CA 3.42Å; C93-I97 PolarHBondContact O-N 3.19Å; C93-I100 HydrophobicContact CB-CD1 4.25Å; C93-L130 HydrophobicContact CB-CD1 3.65Å; C93-L130 HydrophobicContact CB-CD2 3.72Å; C93-L130 HydrophobicContact CB-CG 4.35Å
94R94.6Very high95Very high74 Ų7448.5 Ų48.528%0.27925%0.246SC..Hα-helixtrans-69.6-41.4175.4-70.8-172-62-122.116111.9A90 T91 N96 I97 L130 E133A90-R94 WeakPolarHBondContact O-CG 3.35Å; A90-R94 PolarHBondContact O-N 3.04Å; T91-R94 PolarHBondContact O-N 3.4Å; T91-R94 VanDerWaalsContact O-N 3.12Å; R94-N96 PolarHBondContact O-N 3.35Å; R94-I97 WeakPolarHBondContact O-CB 3.31Å; R94-I97 PolarHBondContact O-N 2.98Å; R94-L130 WeakPolarHBondContact CD-O 3.35Å; R94-L130 HydrophobicContact CG-CB 4.45Å; R94-L130 WeakPolarHBondContact CG-O 3.44Å; R94-E133 IonicContact CZ-OE1 2.66Å; R94-E133 VanDerWaalsContact CZ-OE1 3.24Å; R94-E133 IonicContact NH1-OE1 3.12Å; R94-E133 PolarHBondContact NH1-OE1 3.5Å; R94-E133 IonicContact NH2-OE1 2.65Å; R94-E133 PolarHBondContact NH2-OE1 3.09Å
95E95.2Very high94.9Very high133 Ų13354.4 Ų54.462%0.62128%0.277SS*.Hα-helixtrans-59.1-36175.2-70.3170.4-178.500112.2T91T91-E95 WeakPolarHBondContact O-CG 3.02Å; T91-E95 PolarHBondContact O-N 2.86Å
96N94Very high94.8Very high64 Ų6455.6 Ų55.634%0.34228%0.283SS..THydrogen-bonded Turntrans-110.529.5-178.4-60.6-77.1000112.7W58 Q92 C93 R94 H98 S99W58-N96 HydrophobicContact CH2-CB 3.78Å; W58-N96 HydrophobicContact CZ2-CB 3.76Å; Q92-N96 PolarHBondContact O-N 3.49Å; Q92-N96 PolarHBondContact O-ND2 3.42Å; C93-N96 CarbonylContact O-C 3.58Å; C93-N96 PolarHBondContact O-N 2.89Å; R94-N96 PolarHBondContact O-N 3.35Å; N96-H98 PolarHBondContact O-N 2.92Å; N96-H98 VanDerWaalsContact O-N 3.13Å; N96-S99 WeakPolarHBondContact O-CB 3.34Å; N96-S99 PolarHBondContact O-N 2.97Å
97I94.9Very high94.6Very high24 Ų2462 Ų6212%0.12331%0.311CS..Hα-helixtrans-58-34.6-172.7-166166.5000112.3C93 R94 S99 I100 E101 L130 R131C93-I97 VanDerWaalsContact O-CA 3.27Å; C93-I97 WeakPolarHBondContact O-CA 3.42Å; C93-I97 PolarHBondContact O-N 3.19Å; R94-I97 WeakPolarHBondContact O-CB 3.31Å; R94-I97 PolarHBondContact O-N 2.98Å; I97-S99 PolarHBondContact O-N 3.37Å; I97-I100 WeakPolarHBondContact O-CA 3.35Å; I97-I100 WeakPolarHBondContact O-CB 3.32Å; I97-I100 PolarHBondContact O-N 2.9Å; I97-E101 HydrophobicContact CG1-CG 4.1Å; I97-E101 WeakPolarHBondContact O-CG 3.44Å; I97-E101 PolarHBondContact O-N 3.06Å; I97-L130 HydrophobicContact CD1-CB 4.43Å; I97-R131 HydrophobicContact CD1-CG 3.78Å
98H95.5Very high94.4Very high132 Ų13258 Ų5861%0.61129%0.29SS*.Hα-helixtrans-53.2-39.4177.3-54.997.1000112.7N96 I100 E101 T102N96-H98 PolarHBondContact O-N 2.92Å; N96-H98 VanDerWaalsContact O-N 3.13Å; H98-I100 PolarHBondContact O-N 3.41Å; H98-E101 PolarHBondContact O-N 3.46Å; H98-T102 WeakPolarHBondContact O-CG2 3.19Å; H98-T102 PolarHBondContact O-N 3.34Å; H98-T102 PolarHBondContact O-OG1 3.07Å
99S94.9Very high94.2Very high56 Ų5657.3 Ų57.339%0.39230%0.295SS..Hα-helixtrans-66.7-25177.7-59.50000113.3N96 I97 T102N96-S99 WeakPolarHBondContact O-CB 3.34Å; N96-S99 PolarHBondContact O-N 2.97Å; I97-S99 PolarHBondContact O-N 3.37Å; S99-T102 PolarHBondContact O-OG1 3.4Å; S99-T102 VanDerWaalsContact O-OG1 3.08Å
100I95.5Very high93.7Very high0 Ų059.9 Ų59.90%031%0.307CS..Hα-helixtrans-84.2-37.5173.3-56.8172.4000109.6W58 L75 L78 C93 I97 H98 T102 L103 L126 L130W58-I100 HydrophobicContact CH2-CD1 4.09Å; W58-I100 HydrophobicContact CH2-CG1 3.95Å; W58-I100 HydrophobicContact CZ3-CG1 4.03Å; L75-I100 HydrophobicContact CD2-CG2 4.28Å; L78-I100 HydrophobicContact CD2-CD1 3.9Å; L78-I100 HydrophobicContact CD2-CG1 4.4Å; C93-I100 HydrophobicContact CB-CD1 4.25Å; I97-I100 WeakPolarHBondContact O-CA 3.35Å; I97-I100 WeakPolarHBondContact O-CB 3.32Å; I97-I100 PolarHBondContact O-N 2.9Å; H98-I100 PolarHBondContact O-N 3.41Å; I100-T102 PolarHBondContact O-N 3Å; I100-L103 WeakPolarHBondContact O-CB 3.3Å; I100-L103 PolarHBondContact O-N 3.37Å; I100-L126 HydrophobicContact CD1-CD2 4.24Å; I100-L126 HydrophobicContact CG2-CD2 4.16Å; I100-L126 HydrophobicContact CG2-CG 4.39Å; I100-L130 HydrophobicContact CD1-CD1 3.56Å
101E95.4Very high93.4Very high35 Ų3566 Ų6616%0.16434%0.338CS..Hα-helixtrans-67.1-34.8-179.4-66-167.8145.200113.1I97 H98 L103 R104 R131I97-E101 HydrophobicContact CG1-CG 4.1Å; I97-E101 WeakPolarHBondContact O-CG 3.44Å; I97-E101 PolarHBondContact O-N 3.06Å; H98-E101 PolarHBondContact O-N 3.46Å; E101-L103 PolarHBondContact O-N 3.42Å; E101-R104 VanDerWaalsContact O-CB 3.22Å; E101-R104 WeakPolarHBondContact O-CB 3.37Å; E101-R104 VanDerWaalsContact O-CG 3.29Å; E101-R104 WeakPolarHBondContact O-CG 3.37Å; E101-R104 PolarHBondContact O-N 3.49Å; E101-R104 IonicContact OE1-CZ 3.86Å; E101-R104 IonicContact OE1-NH1 3.19Å; E101-R104 IonicContact OE1-NH2 3.38Å; E101-R104 PolarHBondContact OE1-NH2 3.13Å; E101-R131 IonicContact OE1-CZ 3.82Å; E101-R131 VanDerWaalsContact OE1-CZ 3.25Å; E101-R131 IonicContact OE1-NE 2.77Å; E101-R131 PolarHBondContact OE1-NE 3.3Å; E101-R131 VanDerWaalsContact OE1-NE 3.13Å; E101-R131 IonicContact OE1-NH2 3.58Å; E101-R131 PolarHBondContact OE1-NH2 3.08Å; E101-R131 IonicContact OE2-NH2 3.82Å
102T94.9Very high93.1Very high97 Ų9766.6 Ų66.660%0.59536%0.356SS*.G310 helixtrans-60.5-25173.854.70000112.9H98 S99 I100 R104H98-T102 WeakPolarHBondContact O-CG2 3.19Å; H98-T102 PolarHBondContact O-N 3.34Å; H98-T102 PolarHBondContact O-OG1 3.07Å; S99-T102 PolarHBondContact O-OG1 3.4Å; S99-T102 VanDerWaalsContact O-OG1 3.08Å; I100-T102 PolarHBondContact O-N 3Å; T102-R104 PolarHBondContact O-N 3.08Å
103L94.7Very high92.9Very high14 Ų1470.9 Ų70.97%0.07337%0.374CS..G310 helixtrans-77-9.3177-60.8174.2000113L61 V71 L75 I100 E101 D105 F106 V119 A123L61-L103 HydrophobicContact CB-CD1 4.39Å; L61-L103 HydrophobicContact CD2-CD1 3.71Å; V71-L103 HydrophobicContact CG1-CD1 3.97Å; V71-L103 HydrophobicContact CG1-CD2 3.8Å; V71-L103 HydrophobicContact CG1-CG 4.49Å; L75-L103 HydrophobicContact CD1-CD1 4.18Å; L75-L103 HydrophobicContact CD2-CD1 3.95Å; L75-L103 HydrophobicContact CG-CD1 4.24Å; I100-L103 WeakPolarHBondContact O-CB 3.3Å; I100-L103 PolarHBondContact O-N 3.37Å; E101-L103 PolarHBondContact O-N 3.42Å; L103-D105 PolarHBondContact O-N 3.25Å; L103-F106 HydrophobicContact CD2-CD2 4.02Å; L103-F106 VanDerWaalsContact O-CB 3.23Å; L103-F106 WeakPolarHBondContact O-CB 3.46Å; L103-F106 PolarHBondContact O-N 3.48Å; L103-V119 HydrophobicContact CB-CG1 4.48Å; L103-A123 HydrophobicContact CB-CB 3.81Å
104R93.3Very high92.8Very high56 Ų5673.9 Ų73.921%0.21139%0.39CS..G310 helixtrans-67.8-21173.8-63.3-178.9-176.6157.14.7112.9E101 T102 R120 A123 R124 S127E101-R104 VanDerWaalsContact O-CB 3.22Å; E101-R104 WeakPolarHBondContact O-CB 3.37Å; E101-R104 VanDerWaalsContact O-CG 3.29Å; E101-R104 WeakPolarHBondContact O-CG 3.37Å; E101-R104 PolarHBondContact O-N 3.49Å; E101-R104 IonicContact OE1-CZ 3.86Å; E101-R104 IonicContact OE1-NH1 3.19Å; E101-R104 IonicContact OE1-NH2 3.38Å; E101-R104 PolarHBondContact OE1-NH2 3.13Å; T102-R104 PolarHBondContact O-N 3.08Å; R104-R120 WeakPolarHBondContact O-CB 3.4Å; R104-R120 WeakPolarHBondContact O-CD 3.49Å; R104-R120 WeakPolarHBondContact O-CG 3.37Å; R104-A123 HydrophobicContact CG-CB 4.18Å; R104-R124 HydrophobicContact CB-CG 4.21Å; R104-R124 HydrophobicContact CG-CG 3.81Å; R104-S127 PolarHBondContact NE-OG 3Å; R104-S127 PolarHBondContact NH2-OG 2.95Å
105D93.6Very high92.7Very high128 Ų12873.6 Ų73.668%0.68439%0.389SS*.G310 helixtrans-108.716.4177.6-58.2-39.8000112.1L103 E107L103-D105 PolarHBondContact O-N 3.25Å; D105-E107 PolarHBondContact O-N 3.1Å
106F91.8Very high92.6Very high25 Ų2567.2 Ų67.211%0.1136%0.359CS..  trans-64.3121.3180-175.3-88.7000112.1W68 V71 L103 C108 V119 R120W68-F106 HydrophobicContact CB-CE1 3.82Å; W68-F106 HydrophobicContact CB-CZ 4.03Å; V71-F106 HydrophobicContact CG1-CE2 4.47Å; V71-F106 HydrophobicContact CG2-CE2 4.24Å; V71-F106 HydrophobicContact CG2-CZ 4.42Å; L103-F106 HydrophobicContact CD2-CD2 4.02Å; L103-F106 VanDerWaalsContact O-CB 3.23Å; L103-F106 WeakPolarHBondContact O-CB 3.46Å; L103-F106 PolarHBondContact O-N 3.48Å; F106-C108 HydrophobicContact CD1-CB 4.35Å; F106-C108 HydrophobicContact CE1-CB 3.63Å; F106-C108 HydrophobicContact CZ-CB 4.35Å; F106-V119 HydrophobicContact CB-CB 4.45Å; F106-V119 HydrophobicContact CB-CG1 3.94Å; F106-V119 HydrophobicContact CD1-CB 3.81Å; F106-V119 HydrophobicContact CD1-CG1 3.84Å; F106-V119 HydrophobicContact CD1-CG2 4.02Å; F106-V119 HydrophobicContact CD2-CG1 4.45Å; F106-V119 HydrophobicContact CE1-CB 4.35Å; F106-V119 HydrophobicContact CE1-CG1 4.43Å; F106-V119 HydrophobicContact CE1-CG2 4.05Å; F106-V119 HydrophobicContact CG-CB 4.29Å; F106-V119 HydrophobicContact CG-CG1 3.83Å; F106-R120 HydrophobicContact CB-CG 4.25Å; F106-R120 WeakPolarHBondContact O-CD 3.5Å; F106-R120 VanDerWaalsContact O-CG 3.24Å; F106-R120 WeakPolarHBondContact O-CG 3.25Å
107E91.7Very high92.7Very high150 Ų15070.2 Ų70.270%0.70137%0.369SS*.  trans-110.5126.9179.4-169.3175.8-17900111.3D105D105-E107 PolarHBondContact O-N 3.1Å
108C89.8Confident92.6Very high14 Ų1472.3 Ų72.310%0.09538%0.381CS..  trans-154.1112.3173.6-178.80000109.7S65 W68 F106 R115 G116S65-C108 PolarHBondContact O-SG 3.19Å; W68-C108 HydrophobicContact CB-CB 4.31Å; F106-C108 HydrophobicContact CD1-CB 4.35Å; F106-C108 HydrophobicContact CE1-CB 3.63Å; F106-C108 HydrophobicContact CZ-CB 4.35Å; C108-R115 PolarHBondContact O-N 3.02Å; C108-G116 PolarHBondContact O-N 2.97Å
109V90.6Very high92.6Very high91 Ų9166 Ų6655%0.55235%0.352SS*.EExtended strand (participates in β ladder)trans-106.7115.3174.2-176.40000108.3K113V109-K113 WeakPolarHBondContact CA-O 3.41Å
110E87Confident92.7Very high53 Ų5366.9 Ų66.925%0.24835%0.346CS..EExtended strand (participates in β ladder)trans-118.3124.7177.2-169.2177.9-154.800107.7W68 R69 G112 K113 R115W68-E110 PolarHBondContact NE1-OE2 2.77Å; R69-E110 IonicContact NH1-OE1 2.7Å; R69-E110 IonicContact NH1-OE2 3.64Å; R69-E110 IonicContact NH2-OE2 2.67Å; E110-G112 VanDerWaalsContact C-N 3.28Å; E110-G112 PolarHBondContact O-N 2.88Å; E110-K113 PolarHBondContact N-O 2.99Å; E110-K113 PolarHBondContact O-N 2.78Å; E110-R115 HydrophobicContact CB-CG 3.68Å
111D87.9Confident92.7Very high140 Ų14072.9 Ų72.975%0.74937%0.374SS*.THydrogen-bonded Turntrans54.538.9-177.6-49.9-44.8000114K113D111-K113 PolarHBondContact O-N 2.59Å
112G89.1Confident92.7Very high71 Ų7173.4 Ų73.473%0.73238%0.376SS*.THydrogen-bonded Turntrans71.24.4-176.800000114.6E110E110-G112 VanDerWaalsContact C-N 3.28Å; E110-G112 PolarHBondContact O-N 2.88Å
113K91.8Very high92.8Very high131 Ų13168.8 Ų68.857%0.5735%0.348SS*.EExtended strand (participates in β ladder)trans-106.4130.2177-63.5178.8-178.31780110.1V109 E110 D111 R115V109-K113 WeakPolarHBondContact CA-O 3.41Å; E110-K113 PolarHBondContact N-O 2.99Å; E110-K113 PolarHBondContact O-N 2.78Å; D111-K113 PolarHBondContact O-N 2.59Å; K113-R115 PolarHBondContact O-N 3.44Å
114D93.7Very high92.9Very high63 Ų6374.5 Ų74.534%0.33737%0.368SS..EExtended strand (participates in β ladder)trans-70100.4172.9-179.96.5000110.4G116 K117 R120D114-G116 VanDerWaalsContact OD1-CA 3.27Å; D114-G116 WeakPolarHBondContact OD1-CA 3.28Å; D114-G116 PolarHBondContact OD1-N 3.45Å; D114-K117 PolarHBondContact OD1-N 3.02Å; D114-R120 IonicContact OD2-CZ 3.96Å; D114-R120 IonicContact OD2-NH2 3.52Å; D114-R120 PolarHBondContact OD2-NH2 2.95Å
115R92Very high93.1Very high68 Ų6875.6 Ų75.626%0.25738%0.376SS..SBendtrans-82-23.9172.2-56.7-57.3-174.7173.52.7111.5W68 C108 E110 K113 K117W68-R115 HydrophobicContact CD2-CB 3.75Å; W68-R115 HydrophobicContact CD2-CG 4.42Å; W68-R115 HydrophobicContact CE3-CB 4.31Å; W68-R115 HydrophobicContact CG-CB 3.96Å; W68-R115 HydrophobicContact CZ2-CB 4.12Å; W68-R115 HydrophobicContact CZ2-CG 4.01Å; C108-R115 PolarHBondContact O-N 3.02Å; E110-R115 HydrophobicContact CB-CG 3.68Å; K113-R115 PolarHBondContact O-N 3.44Å; R115-K117 VanDerWaalsContact C-N 3.28Å; R115-K117 PolarHBondContact O-N 3.36Å
116G93.3Very high93.2Very high0 Ų069.5 Ų69.50%034%0.343CS..Hα-helixtrans-63.1-31.4176.700000112.8C108 D114 N118 V119 R120C108-G116 PolarHBondContact O-N 2.97Å; D114-G116 VanDerWaalsContact OD1-CA 3.27Å; D114-G116 WeakPolarHBondContact OD1-CA 3.28Å; D114-G116 PolarHBondContact OD1-N 3.45Å; G116-N118 VanDerWaalsContact C-N 3.28Å; G116-N118 PolarHBondContact O-N 3.37Å; G116-V119 WeakPolarHBondContact O-CA 3.29Å; G116-V119 WeakPolarHBondContact O-CB 3.49Å; G116-V119 PolarHBondContact O-N 3.25Å; G116-R120 WeakPolarHBondContact O-CG 3.5Å; G116-R120 PolarHBondContact O-N 2.75Å
117K94.7Very high93.4Very high126 Ų12668.3 Ų68.355%0.54834%0.338SS..Hα-helixtrans-46.4-48175.7-173.8178.1176.9-178.20113.4D114 R115 V119 R120 E121D114-K117 PolarHBondContact OD1-N 3.02Å; R115-K117 VanDerWaalsContact C-N 3.28Å; R115-K117 PolarHBondContact O-N 3.36Å; K117-V119 VanDerWaalsContact C-N 3.34Å; K117-V119 PolarHBondContact O-N 3.41Å; K117-R120 PolarHBondContact O-N 3.16Å; K117-E121 WeakPolarHBondContact O-CB 3.46Å; K117-E121 PolarHBondContact O-N 3.26Å
118N93.2Very high93.6Very high69 Ų6964.7 Ų64.737%0.36933%0.326SS..Hα-helixtrans-65.6-36.7-179.3-67.3-23000112.4Y72 G116 K122Y72-N118 HydrophobicContact CD2-CB 4.13Å; Y72-N118 HydrophobicContact CE2-CB 3.89Å; G116-N118 VanDerWaalsContact C-N 3.28Å; G116-N118 PolarHBondContact O-N 3.37Å; N118-K122 WeakPolarHBondContact O-CB 3.4Å; N118-K122 PolarHBondContact O-N 3.39Å; N118-K122 VanDerWaalsContact O-N 3.14Å
119V95.6Very high93.8Very high0 Ų064.1 Ų64.10%032%0.322CS..Hα-helixtrans-66.1-47.2175.5179.20000109.8V71 Y72 L75 L103 F106 G116 K117 E121 K122 A123V71-V119 HydrophobicContact CG1-CG1 3.8Å; Y72-V119 HydrophobicContact CD2-CG2 4.32Å; L75-V119 HydrophobicContact CD1-CG1 3.89Å; L103-V119 HydrophobicContact CB-CG1 4.48Å; F106-V119 HydrophobicContact CB-CB 4.45Å; F106-V119 HydrophobicContact CB-CG1 3.94Å; F106-V119 HydrophobicContact CD1-CB 3.81Å; F106-V119 HydrophobicContact CD1-CG1 3.84Å; F106-V119 HydrophobicContact CD1-CG2 4.02Å; F106-V119 HydrophobicContact CD2-CG1 4.45Å; F106-V119 HydrophobicContact CE1-CB 4.35Å; F106-V119 HydrophobicContact CE1-CG1 4.43Å; F106-V119 HydrophobicContact CE1-CG2 4.05Å; F106-V119 HydrophobicContact CG-CB 4.29Å; F106-V119 HydrophobicContact CG-CG1 3.83Å; G116-V119 WeakPolarHBondContact O-CA 3.29Å; G116-V119 WeakPolarHBondContact O-CB 3.49Å; G116-V119 PolarHBondContact O-N 3.25Å; K117-V119 VanDerWaalsContact C-N 3.34Å; K117-V119 PolarHBondContact O-N 3.41Å; V119-E121 PolarHBondContact O-N 3.46Å; V119-K122 PolarHBondContact O-N 3.49Å; V119-A123 WeakPolarHBondContact O-CB 3.2Å; V119-A123 PolarHBondContact O-N 3.39Å
120R96.4Very high94Very high74 Ų7459.8 Ų59.828%0.27930%0.296SS..Hα-helixtrans-60.4-46.4179.7-66.5-171.5-74.5171-3112.1R104 F106 D114 G116 K117 A123 R124R104-R120 WeakPolarHBondContact O-CB 3.4Å; R104-R120 WeakPolarHBondContact O-CD 3.49Å; R104-R120 WeakPolarHBondContact O-CG 3.37Å; F106-R120 HydrophobicContact CB-CG 4.25Å; F106-R120 WeakPolarHBondContact O-CD 3.5Å; F106-R120 VanDerWaalsContact O-CG 3.24Å; F106-R120 WeakPolarHBondContact O-CG 3.25Å; D114-R120 IonicContact OD2-CZ 3.96Å; D114-R120 IonicContact OD2-NH2 3.52Å; D114-R120 PolarHBondContact OD2-NH2 2.95Å; G116-R120 WeakPolarHBondContact O-CG 3.5Å; G116-R120 PolarHBondContact O-N 2.75Å; K117-R120 PolarHBondContact O-N 3.16Å; R120-A123 PolarHBondContact O-N 3.48Å; R120-R124 VanDerWaalsContact O-CG 3.28Å; R120-R124 WeakPolarHBondContact O-CG 3.15Å; R120-R124 PolarHBondContact O-N 3.23Å
121E96.7Very high94.3Very high126 Ų12665.2 Ų65.259%0.58931%0.314SS*.Hα-helixtrans-62.9-44.6178.3-175170.1-160.300111.7K117 V119 R124 H125K117-E121 WeakPolarHBondContact O-CB 3.46Å; K117-E121 PolarHBondContact O-N 3.26Å; V119-E121 PolarHBondContact O-N 3.46Å; E121-R124 PolarHBondContact O-N 3.39Å; E121-H125 PolarHBondContact O-N 3.47Å
122K96Very high94.6Very high46 Ų4661.9 Ų61.920%0.230%0.296CS..Hα-helixtrans-65.7-41.4178-163.661.7158.4176.40112.2Y72 L75 E79 N118 V119 H125 L126Y72-K122 HydrophobicContact CD2-CB 4.48Å; Y72-K122 HydrophobicContact CE2-CB 4.16Å; Y72-K122 HydrophobicContact CE2-CG 4.42Å; L75-K122 HydrophobicContact CB-CG 3.96Å; L75-K122 HydrophobicContact CD1-CB 4.34Å; E79-K122 IonicContact OE1-NZ 3.76Å; E79-K122 WeakPolarHBondContact OE2-CD 3.24Å; E79-K122 WeakPolarHBondContact OE2-CE 2.9Å; E79-K122 IonicContact OE2-NZ 2.7Å; E79-K122 PolarHBondContact OE2-NZ 2.99Å; N118-K122 WeakPolarHBondContact O-CB 3.4Å; N118-K122 PolarHBondContact O-N 3.39Å; N118-K122 VanDerWaalsContact O-N 3.14Å; V119-K122 PolarHBondContact O-N 3.49Å; K122-H125 PolarHBondContact O-N 3.06Å; K122-L126 WeakPolarHBondContact O-CB 3.38Å; K122-L126 PolarHBondContact O-N 3.5Å
123A96.9Very high94.8Very high0 Ų064.2 Ų64.20%029%0.288CS..Hα-helixtrans-63-43.2175.900000111.6L75 L103 R104 V119 R120 S127L75-A123 HydrophobicContact CD1-CB 4.08Å; L103-A123 HydrophobicContact CB-CB 3.81Å; R104-A123 HydrophobicContact CG-CB 4.18Å; V119-A123 WeakPolarHBondContact O-CB 3.2Å; V119-A123 PolarHBondContact O-N 3.39Å; R120-A123 PolarHBondContact O-N 3.48Å; A123-S127 WeakPolarHBondContact O-CB 3.41Å; A123-S127 PolarHBondContact O-N 3.49Å; A123-S127 PolarHBondContact O-OG 3.05Å
124R96.8Very high94.9Very high134 Ų13465.1 Ų65.151%0.50629%0.294SS..Hα-helixtrans-58.1-53.2173.4-73175.5-165.4-155.41110.7R104 R120 E121 L126 S127 T128R104-R124 HydrophobicContact CB-CG 4.21Å; R104-R124 HydrophobicContact CG-CG 3.81Å; R120-R124 VanDerWaalsContact O-CG 3.28Å; R120-R124 WeakPolarHBondContact O-CG 3.15Å; R120-R124 PolarHBondContact O-N 3.23Å; E121-R124 PolarHBondContact O-N 3.39Å; R124-L126 PolarHBondContact O-N 3.39Å; R124-S127 WeakPolarHBondContact CA-OG 3.39Å; R124-S127 PolarHBondContact O-N 2.82Å; R124-S127 PolarHBondContact O-OG 3.02Å; R124-T128 PolarHBondContact O-N 3.1Å; R124-T128 PolarHBondContact O-OG1 3.4Å
125H96.4Very high94.9Very high79 Ų7966.9 Ų66.937%0.36630%0.296SS..Hα-helixtrans-55.7-51.1179.7-17677000112.7E79 E121 K122 S127 T128 L129E79-H125 IonicContact OE1-CD2 3.17Å; E79-H125 IonicContact OE1-NE2 3.86Å; E79-H125 IonicContact OE2-CD2 3.59Å; E121-H125 PolarHBondContact O-N 3.47Å; K122-H125 PolarHBondContact O-N 3.06Å; H125-S127 PolarHBondContact O-N 3.43Å; H125-T128 PolarHBondContact O-N 3.16Å; H125-L129 WeakPolarHBondContact O-CB 3.28Å; H125-L129 PolarHBondContact O-N 3.08Å
126L96.4Very high95Very high0 Ų063.9 Ų63.90%029%0.285CS..Hα-helixtrans-62-43.4179.8178.757.4000111.7L75 L78 E79 I100 K122 R124 T128 L129 L130L75-L126 HydrophobicContact CD2-CD2 4.04Å; L78-L126 HydrophobicContact CB-CD2 4.22Å; L78-L126 HydrophobicContact CD2-CD2 3.96Å; L78-L126 HydrophobicContact CG-CD2 4.11Å; E79-L126 HydrophobicContact CB-CD1 3.99Å; E79-L126 HydrophobicContact CG-CD1 4.19Å; I100-L126 HydrophobicContact CD1-CD2 4.24Å; I100-L126 HydrophobicContact CG2-CD2 4.16Å; I100-L126 HydrophobicContact CG2-CG 4.39Å; K122-L126 WeakPolarHBondContact O-CB 3.38Å; K122-L126 PolarHBondContact O-N 3.5Å; R124-L126 PolarHBondContact O-N 3.39Å; L126-T128 PolarHBondContact O-N 3.48Å; L126-L129 PolarHBondContact O-N 2.88Å; L126-L130 HydrophobicContact CD1-CD1 3.98Å; L126-L130 HydrophobicContact CD1-CG 4.05Å; L126-L130 HydrophobicContact CG-CD1 3.88Å; L126-L130 HydrophobicContact CG-CG 4.4Å; L126-L130 VanDerWaalsContact O-CG 3.3Å; L126-L130 WeakPolarHBondContact O-CG 3.31Å; L126-L130 PolarHBondContact O-N 3.46Å
127S95.5Very high95.1Very high0 Ų069.7 Ų69.70%031%0.312CS..Hα-helixtrans-68.4-34.1-179.268.10000113.5R104 A123 R124 H125 R131R104-S127 PolarHBondContact NE-OG 3Å; R104-S127 PolarHBondContact NH2-OG 2.95Å; A123-S127 WeakPolarHBondContact O-CB 3.41Å; A123-S127 PolarHBondContact O-N 3.49Å; A123-S127 PolarHBondContact O-OG 3.05Å; R124-S127 WeakPolarHBondContact CA-OG 3.39Å; R124-S127 PolarHBondContact O-N 2.82Å; R124-S127 PolarHBondContact O-OG 3.02Å; H125-S127 PolarHBondContact O-N 3.43Å; S127-R131 WeakPolarHBondContact O-CG 3.35Å; S127-R131 PolarHBondContact O-N 3.29Å
128T95.7Very high95.1Very high73 Ų7368 Ų6845%0.44831%0.306SS..Hα-helixtrans-66.1-43.3171.4-60.90000110.6R124 H125 L126 L130 R131 D132R124-T128 PolarHBondContact O-N 3.1Å; R124-T128 PolarHBondContact O-OG1 3.4Å; H125-T128 PolarHBondContact O-N 3.16Å; L126-T128 PolarHBondContact O-N 3.48Å; T128-L130 VanDerWaalsContact C-N 3.34Å; T128-L130 PolarHBondContact O-N 3.28Å; T128-R131 PolarHBondContact O-N 2.89Å; T128-D132 PolarHBondContact O-N 3.27Å
129L94.9Very high95.1Very high2 Ų267.4 Ų67.41%0.0130%0.301CS..Hα-helixtrans-62.7-38.2177-177.866.2000112.3K83 H125 L126 D132 R135 L136 E139K83-L129 VanDerWaalsContact CE-CD2 3.41Å; K83-L129 HydrophobicContact CG-CD2 4.41Å; H125-L129 WeakPolarHBondContact O-CB 3.28Å; H125-L129 PolarHBondContact O-N 3.08Å; L126-L129 PolarHBondContact O-N 2.88Å; L129-D132 VanDerWaalsContact O-O 3.1Å; L129-R135 HydrophobicContact CD1-CG 4.24Å; L129-L136 HydrophobicContact CD1-CB 4.3Å; L129-L136 HydrophobicContact CD1-CD1 4.24Å; L129-L136 HydrophobicContact CD2-CD1 4Å; L129-L136 HydrophobicContact CG-CB 4.5Å; L129-L136 HydrophobicContact CG-CD1 3.88Å; L129-E139 HydrophobicContact CD1-CB 4.36Å; L129-E139 HydrophobicContact CD1-CG 3.96Å
130L94.8Very high95.2Very high1 Ų168.5 Ų68.51%0.00531%0.305CS..Hα-helixtrans-75.2-23.5-179.3-72.4169.8000114.1C93 R94 I97 I100 L126 T128 L136C93-L130 HydrophobicContact CB-CD1 3.65Å; C93-L130 HydrophobicContact CB-CD2 3.72Å; C93-L130 HydrophobicContact CB-CG 4.35Å; R94-L130 WeakPolarHBondContact CD-O 3.35Å; R94-L130 HydrophobicContact CG-CB 4.45Å; R94-L130 WeakPolarHBondContact CG-O 3.44Å; I97-L130 HydrophobicContact CD1-CB 4.43Å; I100-L130 HydrophobicContact CD1-CD1 3.56Å; L126-L130 HydrophobicContact CD1-CD1 3.98Å; L126-L130 HydrophobicContact CD1-CG 4.05Å; L126-L130 HydrophobicContact CG-CD1 3.88Å; L126-L130 HydrophobicContact CG-CG 4.4Å; L126-L130 VanDerWaalsContact O-CG 3.3Å; L126-L130 WeakPolarHBondContact O-CG 3.31Å; L126-L130 PolarHBondContact O-N 3.46Å; T128-L130 VanDerWaalsContact C-N 3.34Å; T128-L130 PolarHBondContact O-N 3.28Å; L130-L136 HydrophobicContact CD2-CD2 4.35Å
131R93.6Very high95.1Very high166 Ų16668.1 Ų68.163%0.62631%0.311SS*.Hα-helixtrans-76.8-30176.9-77.1179.3174.6-146.5-2.3112.5I97 E101 S127 T128I97-R131 HydrophobicContact CD1-CG 3.78Å; E101-R131 IonicContact OE1-CZ 3.82Å; E101-R131 VanDerWaalsContact OE1-CZ 3.25Å; E101-R131 IonicContact OE1-NE 2.77Å; E101-R131 PolarHBondContact OE1-NE 3.3Å; E101-R131 VanDerWaalsContact OE1-NE 3.13Å; E101-R131 IonicContact OE1-NH2 3.58Å; E101-R131 PolarHBondContact OE1-NH2 3.08Å; E101-R131 IonicContact OE2-NH2 3.82Å; S127-R131 WeakPolarHBondContact O-CG 3.35Å; S127-R131 PolarHBondContact O-N 3.29Å; T128-R131 PolarHBondContact O-N 2.89Å
132D94.1Very high95Very high71 Ų7167.4 Ų67.438%0.3831%0.306SS..  trans-101.994.8-178.7-173.8-15.3000109.7T128 L129 E134 R135 L136T128-D132 PolarHBondContact O-N 3.27Å; L129-D132 VanDerWaalsContact O-O 3.1Å; D132-E134 VanDerWaalsContact C-N 3.34Å; D132-E134 PolarHBondContact O-N 2.71Å; D132-E134 PolarHBondContact OD1-N 2.9Å; D132-R135 HydrophobicContact CB-CB 3.99Å; D132-R135 WeakPolarHBondContact OD1-CB 3.27Å; D132-R135 PolarHBondContact OD1-N 2.79Å; D132-R135 VanDerWaalsContact OD2-CB 3.32Å; D132-R135 WeakPolarHBondContact OD2-CB 3.42Å; D132-L136 WeakPolarHBondContact O-CB 3.3Å; D132-L136 PolarHBondContact O-N 3.02Å
133E92.3Very high94.8Very high119 Ų11966.3 Ų66.356%0.55631%0.306SS*.Hα-helixtrans-67.3-34.4-175.3-177.9156.1-13500112.9R94 L136 H137R94-E133 IonicContact CZ-OE1 2.66Å; R94-E133 VanDerWaalsContact CZ-OE1 3.24Å; R94-E133 IonicContact NH1-OE1 3.12Å; R94-E133 PolarHBondContact NH1-OE1 3.5Å; R94-E133 IonicContact NH2-OE1 2.65Å; R94-E133 PolarHBondContact NH2-OE1 3.09Å; E133-L136 PolarHBondContact O-N 3.12Å; E133-H137 WeakPolarHBondContact O-CB 3.47Å; E133-H137 PolarHBondContact O-N 2.74Å
134E93.6Very high94.6Very high150 Ų15069.2 Ų69.270%0.70132%0.321SS*.Hα-helixtrans-65.7-50.8177.7-177.3175.6-159.100110.3D132 L136 H137 E138D132-E134 VanDerWaalsContact C-N 3.34Å; D132-E134 PolarHBondContact O-N 2.71Å; D132-E134 PolarHBondContact OD1-N 2.9Å; E134-L136 VanDerWaalsContact C-N 3.3Å; E134-L136 PolarHBondContact O-N 3.34Å; E134-H137 WeakPolarHBondContact O-CB 3.25Å; E134-H137 PolarHBondContact O-N 2.83Å; E134-H137 VanDerWaalsContact O-N 3.08Å; E134-E138 PolarHBondContact O-N 3.1Å
135R94.1Very high94.3Very high100 Ų10068.4 Ų68.438%0.37733%0.326SS..Hα-helixtrans-60.3-40176.1-176.5-179.1177.4-177.22.7112.3L129 D132 H137 E138 E139L129-R135 HydrophobicContact CD1-CG 4.24Å; D132-R135 HydrophobicContact CB-CB 3.99Å; D132-R135 WeakPolarHBondContact OD1-CB 3.27Å; D132-R135 PolarHBondContact OD1-N 2.79Å; D132-R135 VanDerWaalsContact OD2-CB 3.32Å; D132-R135 WeakPolarHBondContact OD2-CB 3.42Å; R135-H137 VanDerWaalsContact C-N 3.3Å; R135-H137 PolarHBondContact O-N 2.7Å; R135-E138 PolarHBondContact O-N 2.87Å; R135-E139 WeakPolarHBondContact O-CB 3.38Å; R135-E139 WeakPolarHBondContact O-CG 3.36Å; R135-E139 PolarHBondContact O-N 3.49Å
136L94.6Very high94Very high6 Ų667.6 Ų67.63%0.03133%0.333CS..Hα-helixtrans-61.6-40.2176177.162000111.6A90 L129 L130 D132 E133 E134 E139 R140A90-L136 HydrophobicContact CB-CD2 3.76Å; L129-L136 HydrophobicContact CD1-CB 4.3Å; L129-L136 HydrophobicContact CD1-CD1 4.24Å; L129-L136 HydrophobicContact CD2-CD1 4Å; L129-L136 HydrophobicContact CG-CB 4.5Å; L129-L136 HydrophobicContact CG-CD1 3.88Å; L130-L136 HydrophobicContact CD2-CD2 4.35Å; D132-L136 WeakPolarHBondContact O-CB 3.3Å; D132-L136 PolarHBondContact O-N 3.02Å; E133-L136 PolarHBondContact O-N 3.12Å; E134-L136 VanDerWaalsContact C-N 3.3Å; E134-L136 PolarHBondContact O-N 3.34Å; L136-E139 PolarHBondContact O-N 2.96Å; L136-R140 VanDerWaalsContact O-CB 3.24Å; L136-R140 WeakPolarHBondContact O-CB 3.29Å; L136-R140 PolarHBondContact O-N 3.22Å
137H94.1Very high93.6Very high122 Ų12270 Ų7057%0.56534%0.343SS*.Hα-helixtrans-64.7-41.2177.8-172.167.5000112.3E133 E134 R135 R140 T141E133-H137 WeakPolarHBondContact O-CB 3.47Å; E133-H137 PolarHBondContact O-N 2.74Å; E134-H137 WeakPolarHBondContact O-CB 3.25Å; E134-H137 PolarHBondContact O-N 2.83Å; E134-H137 VanDerWaalsContact O-N 3.08Å; R135-H137 VanDerWaalsContact C-N 3.3Å; R135-H137 PolarHBondContact O-N 2.7Å; H137-R140 PolarHBondContact O-N 3.15Å; H137-T141 PolarHBondContact O-N 2.88Å; H137-T141 PolarHBondContact O-OG1 3.24Å
138E95.2Very high93.2Very high91 Ų9174.1 Ų74.143%0.42536%0.364SS..Hα-helixtrans-62.2-48.2173.2-68.5-173.9-166.600112.4E134 R135 R140 T141 K142E134-E138 PolarHBondContact O-N 3.1Å; R135-E138 PolarHBondContact O-N 2.87Å; E138-R140 PolarHBondContact O-N 3.44Å; E138-T141 PolarHBondContact O-N 3.46Å; E138-K142 WeakPolarHBondContact O-CG 3.43Å; E138-K142 PolarHBondContact O-N 3.05Å; E138-K142 IonicContact OE2-NZ 3.74Å; E138-K142 PolarHBondContact OE2-NZ 3.07Å; E138-K142 VanDerWaalsContact OE2-NZ 3.1Å
139E94.5Very high92.8Very high56 Ų5679.8 Ų79.826%0.26238%0.378SS..Hα-helixtrans-61.1-37178.9-74.5-66.9130.300111.3K83 L129 R135 L136 A143K83-E139 IonicContact NZ-OE2 3.25Å; L129-E139 HydrophobicContact CD1-CB 4.36Å; L129-E139 HydrophobicContact CD1-CG 3.96Å; R135-E139 WeakPolarHBondContact O-CB 3.38Å; R135-E139 WeakPolarHBondContact O-CG 3.36Å; R135-E139 PolarHBondContact O-N 3.49Å; L136-E139 PolarHBondContact O-N 2.96Å; E139-A143 WeakPolarHBondContact O-CB 3.46Å; E139-A143 PolarHBondContact O-N 2.8Å
140R96.1Very high92Very high22 Ų2286.2 Ų86.28%0.08341%0.411CS..Hα-helixtrans-64.1-46.1174172.3161.1-175.476.3-4.8111.9K83 G85 D87 L136 H137 E138 K142 A143 L144K83-R140 WeakPolarHBondContact O-CA 3.48Å; K83-R140 WeakPolarHBondContact O-CB 3.2Å; K83-R140 VanDerWaalsContact O-CG 3.25Å; K83-R140 WeakPolarHBondContact O-CG 3.4Å; K83-R140 PolarHBondContact O-NH1 2.93Å; K83-R140 VanDerWaalsContact O-NH1 3.1Å; G85-R140 PolarHBondContact O-NH1 3.35Å; G85-R140 PolarHBondContact O-NH2 3.31Å; D87-R140 VanDerWaalsContact CG-NH2 3.25Å; D87-R140 IonicContact OD1-CZ 3.41Å; D87-R140 VanDerWaalsContact OD1-CZ 3.23Å; D87-R140 IonicContact OD1-NE 3.62Å; D87-R140 PolarHBondContact OD1-NE 2.95Å; D87-R140 IonicContact OD1-NH2 3.1Å; D87-R140 PolarHBondContact OD1-NH2 3.2Å; D87-R140 IonicContact OD2-NH2 3.93Å; D87-R140 PolarHBondContact OD2-NH2 3.38Å; D87-R140 VanDerWaalsContact OD2-NH2 3.12Å; L136-R140 VanDerWaalsContact O-CB 3.24Å; L136-R140 WeakPolarHBondContact O-CB 3.29Å; L136-R140 PolarHBondContact O-N 3.22Å; H137-R140 PolarHBondContact O-N 3.15Å; E138-R140 PolarHBondContact O-N 3.44Å; R140-K142 PolarHBondContact O-N 3.47Å; R140-A143 PolarHBondContact O-N 2.95Å; R140-L144 HydrophobicContact CG-CD1 3.96Å; R140-L144 WeakPolarHBondContact O-CB 3.47Å; R140-L144 VanDerWaalsContact O-CG 3.27Å; R140-L144 WeakPolarHBondContact O-CG 3.47Å; R140-L144 PolarHBondContact O-N 3.49Å
141T94Very high91.1Very high67 Ų6791 Ų9141%0.41144%0.435SS..Hα-helixtrans-60.7-47.2176.2-55.60000111H137 E138 L145H137-T141 PolarHBondContact O-N 2.88Å; H137-T141 PolarHBondContact O-OG1 3.24Å; E138-T141 PolarHBondContact O-N 3.46Å; T141-L145 HydrophobicContact CG2-CD1 4.31Å; T141-L145 VanDerWaalsContact O-CG 3.29Å; T141-L145 WeakPolarHBondContact O-CG 3.42Å; T141-L145 PolarHBondContact O-N 2.9Å; T141-L145 VanDerWaalsContact O-N 3.13Å
142K94.5Very high90.1Very high110 Ų11089.9 Ų89.948%0.47844%0.436SS..Hα-helixtrans-61.9-45176.6-67.6167.7-165.4160.30111.9E138 R140 L145 A146E138-K142 WeakPolarHBondContact O-CG 3.43Å; E138-K142 PolarHBondContact O-N 3.05Å; E138-K142 IonicContact OE2-NZ 3.74Å; E138-K142 PolarHBondContact OE2-NZ 3.07Å; E138-K142 VanDerWaalsContact OE2-NZ 3.1Å; R140-K142 PolarHBondContact O-N 3.47Å; K142-L145 PolarHBondContact O-N 3.44Å; K142-A146 WeakPolarHBondContact O-CB 3.27Å; K142-A146 PolarHBondContact O-N 2.97Å
143A92.8Very high88.5Confident23 Ų2388.4 Ų88.419%0.1944%0.438CS..Hα-helixtrans-69.3-38.4-177.800000112.8K83 T84 E139 R140 A146 R147K83-A143 HydrophobicContact CB-CB 3.9Å; T84-A143 HydrophobicContact CG2-CB 3.88Å; E139-A143 WeakPolarHBondContact O-CB 3.46Å; E139-A143 PolarHBondContact O-N 2.8Å; R140-A143 PolarHBondContact O-N 2.95Å; A143-A146 PolarHBondContact O-N 3.14Å; A143-R147 WeakPolarHBondContact O-CB 3.4Å; A143-R147 PolarHBondContact O-N 3.18Å
144L92.4Very high86.5Confident62 Ų6285.9 Ų85.933%0.32544%0.444SS..Hα-helixtrans-65.7-43.1175.4-73.4172.2000111.3R140 A146 R147 D148R140-L144 HydrophobicContact CG-CD1 3.96Å; R140-L144 WeakPolarHBondContact O-CB 3.47Å; R140-L144 VanDerWaalsContact O-CG 3.27Å; R140-L144 WeakPolarHBondContact O-CG 3.47Å; R140-L144 PolarHBondContact O-N 3.49Å; L144-A146 PolarHBondContact O-N 3.3Å; L144-R147 PolarHBondContact O-N 2.95Å; L144-D148 WeakPolarHBondContact O-CB 3.48Å; L144-D148 PolarHBondContact O-N 2.95Å
145L91.3Very high84.3Confident116 Ų11686.8 Ų86.861%0.60745%0.452SS*.Hα-helixtrans-61.5-42.9173.8-71.2170.8000112.2T141 K142 R147 D148 R149T141-L145 HydrophobicContact CG2-CD1 4.31Å; T141-L145 VanDerWaalsContact O-CG 3.29Å; T141-L145 WeakPolarHBondContact O-CG 3.42Å; T141-L145 PolarHBondContact O-N 2.9Å; T141-L145 VanDerWaalsContact O-N 3.13Å; K142-L145 PolarHBondContact O-N 3.44Å; L145-R147 VanDerWaalsContact C-N 3.34Å; L145-D148 PolarHBondContact O-N 3.33Å; L145-R149 PolarHBondContact O-N 2.94Å
146A89.7Confident81.7Confident63 Ų6385.5 Ų85.552%0.52147%0.471SS..Hα-helixtrans-64.7-38.9176.300000112.2K142 A143 L144 L150K142-A146 WeakPolarHBondContact O-CB 3.27Å; K142-A146 PolarHBondContact O-N 2.97Å; A143-A146 PolarHBondContact O-N 3.14Å; L144-A146 PolarHBondContact O-N 3.3Å; A146-L150 PolarHBondContact O-N 2.91Å; A146-L150 VanDerWaalsContact O-N 3.14Å
147R87.8Confident79.3Confident51 Ų5191.5 Ų91.519%0.19251%0.508CS..Hα-helixtrans-65.5-44175.6-166.8-166.689.7150.215.9111.3D42 A143 L144 L145 L150 M151D42-R147 IonicContact OD1-CZ 3.06Å; D42-R147 IonicContact OD1-NH1 3.96Å; D42-R147 PolarHBondContact OD1-NH1 2.87Å; D42-R147 IonicContact OD1-NH2 2.81Å; D42-R147 PolarHBondContact OD1-NH2 3.44Å; A143-R147 WeakPolarHBondContact O-CB 3.4Å; A143-R147 PolarHBondContact O-N 3.18Å; L144-R147 PolarHBondContact O-N 2.95Å; L145-R147 VanDerWaalsContact C-N 3.34Å; R147-L150 PolarHBondContact O-N 2.91Å; R147-L150 VanDerWaalsContact O-N 3.15Å; R147-M151 HydrophobicContact CG-CG 4.46Å; R147-M151 HydrophobicContact CG-SD 4.15Å; R147-M151 WeakPolarHBondContact O-CG 3.39Å; R147-M151 PolarHBondContact O-N 2.66Å
148D87.3Confident76.7Confident85 Ų8592.6 Ų92.646%0.45552%0.523SS..Hα-helixtrans-59.7-47.1178.3-16670.5000111L144 L145 L150 M151 H152L144-D148 WeakPolarHBondContact O-CB 3.48Å; L144-D148 PolarHBondContact O-N 2.95Å; L145-D148 PolarHBondContact O-N 3.33Å; D148-L150 VanDerWaalsContact C-N 3.29Å; D148-L150 PolarHBondContact O-N 3.25Å; D148-M151 PolarHBondContact O-N 2.91Å; D148-H152 WeakPolarHBondContact O-CB 3.41Å; D148-H152 PolarHBondContact O-CD2 2.86Å; D148-H152 PolarHBondContact O-N 2.73Å; D148-H152 IonicContact OD1-CD2 3.35Å; D148-H152 PolarHBondContact OD1-CD2 2.78Å; D148-H152 IonicContact OD1-NE2 3.13Å; D148-H152 IonicContact OD2-CD2 3.57Å
149R86.9Confident74.4Confident193 Ų19391.9 Ų91.973%0.72853%0.533SS*.Hα-helixtrans-58.8-37.5173.8178.2178.5-93.7176.6-7.1113.2L145 G153 G154L145-R149 PolarHBondContact O-N 2.94Å; R149-G153 PolarHBondContact O-N 3.13Å; R149-G154 PolarHBondContact O-N 2.66Å
150L79.3Confident72Confident136 Ų13694.9 Ų94.971%0.71256%0.56SS**Hα-helixtrans-73.2-36178.4-176.964.2000112.2A146 R147 D148A146-L150 PolarHBondContact O-N 2.91Å; A146-L150 VanDerWaalsContact O-N 3.14Å; R147-L150 PolarHBondContact O-N 2.91Å; R147-L150 VanDerWaalsContact O-N 3.15Å; D148-L150 VanDerWaalsContact C-N 3.29Å; D148-L150 PolarHBondContact O-N 3.25Å
151M75.7Confident69.7Low103 Ų103100 Ų10051%0.50759%0.594SS.*Hα-helixtrans-79.6-34.1-179.6-71.1-1746900112.9R147 D148R147-M151 HydrophobicContact CG-CG 4.46Å; R147-M151 HydrophobicContact CG-SD 4.15Å; R147-M151 WeakPolarHBondContact O-CG 3.39Å; R147-M151 PolarHBondContact O-N 2.66Å; D148-M151 PolarHBondContact O-N 2.91Å
152H72Confident67.4Low141 Ų14199.9 Ų99.965%0.65361%0.606SS**THydrogen-bonded Turntrans-101.410-174.9-66.2-65.6000114.5D148D148-H152 WeakPolarHBondContact O-CB 3.41Å; D148-H152 PolarHBondContact O-CD2 2.86Å; D148-H152 PolarHBondContact O-N 2.73Å; D148-H152 IonicContact OD1-CD2 3.35Å; D148-H152 PolarHBondContact OD1-CD2 2.78Å; D148-H152 IonicContact OD1-NE2 3.13Å; D148-H152 IonicContact OD2-CD2 3.57Å
153G60.2Low64.9Low40 Ų40102 Ų10241%0.41262%0.623SS.*THydrogen-bonded Turntrans64.275.6168.300000113.6R149 L155R149-G153 PolarHBondContact O-N 3.13Å; G153-L155 VanDerWaalsContact C-N 3.27Å; G153-L155 PolarHBondContact O-N 3.48Å
154G50.8Low62.5Low66 Ų66105.6 Ų105.668%0.6865%0.646SS**SBendtrans48.617.6135.100000122.2R149R149-G154 PolarHBondContact O-N 2.66Å
155L47.9Very low60.2Low169 Ų169108.5 Ų108.589%0.88567%0.669SS**  trans-125.3129176.8-147.874000111.1G153G153-L155 VanDerWaalsContact C-N 3.27Å; G153-L155 PolarHBondContact O-N 3.48Å
156G38.8Very low58Low74 Ų74109.4 Ų109.476%0.76368%0.679SS**  trans-63.8135.3-161.700000116.3
157T44.4Very low55.7Low132 Ų132113.7 Ų113.781%0.8169%0.686SS**  trans-127.6108.8141.755.60000108.1A159T157-A159 PolarHBondContact O-N 3.4Å; T157-A159 VanDerWaalsContact O-N 3.1Å
158T39.5Very low53.7Low145 Ų145120.6 Ų120.689%0.8971%0.713SS**  trans-59.6103.2160.747.90000109.2
159A46.5Very low51.4Low75 Ų75119.8 Ų119.862%0.6273%0.725SS**  trans-134.398154.400000103.9T157 T161T157-A159 PolarHBondContact O-N 3.4Å; T157-A159 VanDerWaalsContact O-N 3.1Å; A159-T161 VanDerWaalsContact C-N 3.28Å
160S43.2Very low49.3Very low120 Ų120117.6 Ų117.684%0.83973%0.733SS**  38.457.256.7-170.10000112.4
161T49.5Very low47.4Very low128 Ų128119 Ų11979%0.78574%0.736SS**  trans-127.894.8152.9-28.30000104A159A159-T161 VanDerWaalsContact C-N 3.28Å
162G44.5Very low45.7Very low66 Ų66120.2 Ų120.268%0.6875%0.751SS**  79.773.654.200000106.8S164G162-S164 PolarHBondContact O-N 3.35Å
163D41.6Very low44.2Very low153 Ų153118.8 Ų118.882%0.81876%0.757SS**  trans-49.8118.2171.6-172.523.5000111.3
164S44.2Very low43.4Very low99 Ų99120.3 Ų120.369%0.69277%0.773SS**  trans178.8114.4154.6-84.70000110.9G162 V166G162-S164 PolarHBondContact O-N 3.35Å; S164-V166 PolarHBondContact O-N 2.65Å
165P43.4Very low43Very low124 Ų124128.1 Ų128.181%0.80578%0.782SS**  trans-84.393.5176.532.3-29.6000109.9K167P165-K167 PolarHBondContact O-N 3.09Å
166V45Very low42.6Very low135 Ų135123.6 Ų123.682%0.81877%0.765SS**  trans-91.8101.1167.9-167.10000109.4S164S164-V166 PolarHBondContact O-N 2.65Å
167K42Very low42.6Very low152 Ų152125.7 Ų125.766%0.66177%0.768SS**  trans-46140.5164.2-149.1177.9174.5-1700111.4P165P165-K167 PolarHBondContact O-N 3.09Å
168Y45.2Very low42.7Very low196 Ų196128.1 Ų128.177%0.76976%0.763SS**  trans84.5109.2168.1-57.3-78.2000118.3
169G38.7Very low42.9Very low68 Ų68126.6 Ų126.670%0.70176%0.756SS**  110.399.5127.300000116.9
170V42.2Very low42.7Very low147 Ų147131 Ų13189%0.89177%0.767SS**  trans78.8118.4142-169.80000117.1
171Q40.3Very low42.5Very low167 Ų167128.2 Ų128.278%0.7876%0.758SS**  trans-68.6158.2173.1-55.1-171.49.200111.7
172P40.3Very low42.3Very low127 Ų127132.8 Ų132.883%0.82576%0.763SS**  -142.9139.912128.1-9.5000114.9
173S40.8Very low42.1Very low111 Ų111135.8 Ų135.878%0.77677%0.773SS**  trans-72.1142.4163.2-73.50000111.7
174G43.4Very low42.1Very low73 Ų73132.2 Ų132.275%0.75377%0.772SS**  97.3105.2122.400000120.5
175R41.5Very low41.9Very low229 Ų229131.7 Ų131.786%0.86477%0.769SS**  95.1109.7117.4-158.9171.8-168.5-165.53.8120.8
176S39.1Very low42.2Very low74 Ų74133.6 Ų133.652%0.51777%0.772SS.*  67126.6128.1-162.80000122Y178S176-Y178 WeakPolarHBondContact OG-CE2 3.41Å
177S39.7Very low42Very low119 Ų119137 Ų13783%0.83277%0.772SS**  trans-153.7140.9135.4-163.50000110.9
178Y47.2Very low42Very low182 Ų182137.6 Ų137.671%0.71478%0.775SS**  trans-94.2172.7-173.4-45.2-92.2000111.8S176S176-Y178 WeakPolarHBondContact OG-CE2 3.41Å
179P43.2Very low42Very low114 Ų114134.6 Ų134.674%0.7477%0.772SS**  trans-134.8132.7136.934.3-20.4000115.7
180I41.8Very low42.2Very low166 Ų166140.1 Ų140.185%0.85178%0.777SS**  59.3107.2125.9-57.5163.5000118.5
181G38.3Very low42.2Very low63 Ų63136.4 Ų136.465%0.64977%0.768SS**  111.8130.4109.400000109.7
182Y46.1Very low42.5Very low224 Ų224135 Ų13588%0.87877%0.771SS**  cis-152.7129.943.8-76.8-99.1000108.9
183S40Very low42.9Very low128 Ų128134.5 Ų134.590%0.89577%0.768SS**  68.2113.5103.7-160.90000116.6
184G42.5Very low43.4Very low78 Ų78135.5 Ų135.580%0.80477%0.772SS**  trans171.761.4173.800000113.5
185S39.8Very low43.6Very low89 Ų89136.8 Ų136.862%0.62277%0.769SS**  trans-60137.1174.2169.30000112.4
186N48.4Very low43.9Very low164 Ų164135 Ų13588%0.87777%0.768SS**  -162.3144.8127.5-89.6-32.3000112.9
187Y41.6Very low44.1Very low205 Ų205137.6 Ų137.680%0.80479%0.786SS**  trans-76.5148.1-163.3-96.4-112.7000114.9
188F41.8Very low44.6Very low165 Ų165137.6 Ų137.672%0.72478%0.781SS**  trans66.4115.5130.8-153.9-90000118.8
189D45.5Very low44.6Very low133 Ų133132.5 Ų132.571%0.71177%0.772SS**  -178.1153.1101.7-159.811000111.7
190K43.4Very low45Very low185 Ų185135.3 Ų135.380%0.80478%0.775SS**  trans-72.3145.1-170.8-74.4166.8170.31740114.2
191G41.5Very low45.5Very low69 Ų69131 Ų13171%0.71176%0.764SS**  trans105.689.2132.500000117.8
192T47.3Very low46.2Very low137 Ų137131.2 Ų131.284%0.8476%0.759SS**  trans-177.9137139.37.30000109.8P194T192-P194 WeakPolarHBondContact O-CD 3.43Å
193P48Very low46.9Very low117 Ų117124.5 Ų124.576%0.7674%0.742SS**PPolyproline II helixtrans-86123.6174.632-28.4000110.3S195P193-S195 PolarHBondContact O-N 3.11Å
194P52.4Low47.6Very low131 Ų131124.4 Ų124.485%0.85173%0.727SS**PPolyproline II helixtrans-79.7120.9170.929.2-29.3000110.3T192T192-P194 WeakPolarHBondContact O-CD 3.43Å
195S45.8Very low48.5Very low101 Ų101127.4 Ų127.471%0.70672%0.724SS**PPolyproline II helixtrans-66.7150170.4-62.40000111.8P193P193-S195 PolarHBondContact O-N 3.11Å
196K49.5Very low49.4Very low190 Ų190128.8 Ų128.883%0.82672%0.721SS**  trans71.691.8157.5-60167-174.2176.40116.5V198K196-V198 PolarHBondContact O-N 3.13Å; K196-V198 VanDerWaalsContact O-N 3.1Å
197S43.4Very low50Low129 Ų129124.9 Ų124.990%0.90271%0.706SS**  trans-68.696156.6430000110.2
198V49Very low51.1Low120 Ų120120.2 Ų120.273%0.72770%0.699SS**  trans-118140.1159.6-179.90000105.3K196K196-V198 PolarHBondContact O-N 3.13Å; K196-V198 VanDerWaalsContact O-N 3.1Å
199S48.1Very low52.5Low75 Ų75119.3 Ų119.352%0.52469%0.691SS.*  trans66.392.317564.10000118.8T203S199-T203 PolarHBondContact O-OG1 3.28Å
200H49.9Very low53.6Low172 Ų172115.8 Ų115.880%0.79668%0.675SS**SBendtrans-111.3-36.3148.5-99.9-84.8000111.9A202 T203 E204H200-A202 VanDerWaalsContact C-N 3.35Å; H200-A202 PolarHBondContact O-N 3.31Å; H200-T203 PolarHBondContact O-N 3.36Å; H200-E204 PolarHBondContact O-N 3.42Å
201A53.1Low55Low77 Ų77115.3 Ų115.364%0.63668%0.675SS**Hα-helixtrans-67.5-30.1179.500000114.3L205A201-L205 PolarHBondContact O-N 3.33Å
202A54.3Low56.8Low66 Ų66115.1 Ų115.155%0.54566%0.663SS.*Hα-helixtrans-74-31.4176.800000112H200 E206H200-A202 VanDerWaalsContact C-N 3.35Å; H200-A202 PolarHBondContact O-N 3.31Å; A202-E206 PolarHBondContact O-N 3.06Å
203T59.7Low58.4Low83 Ų83112.5 Ų112.551%0.50966%0.655SS.*Hα-helixtrans-74-35.2178-32.50000111.2S199 H200 E206 S207S199-T203 PolarHBondContact O-OG1 3.28Å; H200-T203 PolarHBondContact O-N 3.36Å; T203-E206 PolarHBondContact O-N 3.32Å; T203-S207 WeakPolarHBondContact O-CB 3.45Å; T203-S207 PolarHBondContact O-N 2.78Å; T203-S207 PolarHBondContact O-OG 3.12Å
204E55.4Low60.1Low127 Ų127109.4 Ų109.459%0.59365%0.645SS**Hα-helixtrans-68.4-42.2176.2-158.7174.2-162.500111H200 E206 S207 V208H200-E204 PolarHBondContact O-N 3.42Å; E204-E206 VanDerWaalsContact C-N 3.34Å; E204-E206 PolarHBondContact O-N 3.18Å; E204-S207 WeakPolarHBondContact CA-OG 3.2Å; E204-S207 PolarHBondContact O-N 3.13Å; E204-S207 PolarHBondContact O-OG 2.63Å; E204-V208 WeakPolarHBondContact O-CG2 3.27Å; E204-V208 PolarHBondContact O-N 3.14Å
205L60.4Low61.8Low140 Ų140106.2 Ų106.273%0.73362%0.619SS**Hα-helixtrans-65.8-35.3176.6-141.489.1000113A201 S207A201-L205 PolarHBondContact O-N 3.33Å; L205-S207 VanDerWaalsContact C-N 3.34Å
206E58.4Low63.7Low119 Ų119107.1 Ų107.156%0.55661%0.612SS**Hα-helixtrans-73.3-27.9176.3-158.565.2-145.600111.7A202 T203 E204 V208 R209A202-E206 PolarHBondContact O-N 3.06Å; T203-E206 PolarHBondContact O-N 3.32Å; E204-E206 VanDerWaalsContact C-N 3.34Å; E204-E206 PolarHBondContact O-N 3.18Å; E206-V208 VanDerWaalsContact C-N 3.32Å; E206-V208 PolarHBondContact O-N 2.9Å; E206-R209 PolarHBondContact O-N 3.4Å
207S61Low65.5Low82 Ų82103.6 Ų103.657%0.57360%0.598SS**Hα-helixtrans-73.5-19.1176.471.40000114.6T203 E204 L205T203-S207 WeakPolarHBondContact O-CB 3.45Å; T203-S207 PolarHBondContact O-N 2.78Å; T203-S207 PolarHBondContact O-OG 3.12Å; E204-S207 WeakPolarHBondContact CA-OG 3.2Å; E204-S207 PolarHBondContact O-N 3.13Å; E204-S207 PolarHBondContact O-OG 2.63Å; L205-S207 VanDerWaalsContact C-N 3.34Å
208V65.8Low67.8Low106 Ų106102.7 Ų102.764%0.64258%0.583SS**THydrogen-bonded Turntrans-91-7.2177.2-1710000111.4E204 E206E204-V208 WeakPolarHBondContact O-CG2 3.27Å; E204-V208 PolarHBondContact O-N 3.14Å; E206-V208 VanDerWaalsContact C-N 3.32Å; E206-V208 PolarHBondContact O-N 2.9Å
209R71.3Confident69.8Low147 Ų147100.9 Ų100.956%0.55557%0.566SS**SBendtrans-79.7124.7178.1-164.2178-168.5123.35.8109E206 Q211E206-R209 PolarHBondContact O-N 3.4Å; R209-Q211 PolarHBondContact O-N 3.49Å; R209-Q211 VanDerWaalsContact O-N 3.15Å
210P68Low71.9Confident58 Ų58101.5 Ų101.538%0.37756%0.563SS.*  trans-58.3122.618020.9-30.6000110.2E215 E216P210-E215 HydrophobicContact CB-CG 4.26Å; P210-E216 HydrophobicContact CB-CB 4.02Å; P210-E216 HydrophobicContact CG-CB 4.31Å
211Q72.1Confident74Confident175 Ų17599.2 Ų99.282%0.81855%0.553SS**SBendtrans-86-14.3-177.4-72.6-171.6-23.500112.6R209 E215R209-Q211 PolarHBondContact O-N 3.49Å; R209-Q211 VanDerWaalsContact O-N 3.15Å; Q211-E215 PolarHBondContact N-OE2 3.32Å
212S80Confident75.9Confident66 Ų66100.2 Ų100.246%0.46255%0.547SS..SBendtrans-142.1153.5178.672.90000111.9G214 E215 E216S212-G214 PolarHBondContact O-N 2.98Å; S212-E215 PolarHBondContact O-N 3.41Å; S212-E215 VanDerWaalsContact O-N 3.13Å; S212-E215 WeakPolarHBondContact OG-CB 3.21Å; S212-E215 PolarHBondContact OG-N 2.96Å; S212-E216 PolarHBondContact O-N 2.87Å
213A80.1Confident77.7Confident81 Ų8199.4 Ų99.467%0.66954%0.54SS*.Hα-helixtrans-60.5-25.8176.100000113.2Q217A213-Q217 PolarHBondContact O-N 3.17Å
214G84.5Confident79.4Confident53 Ų53100.8 Ų100.855%0.54654%0.544SS..Hα-helixtrans-72.2-38175.100000113S212 Q217 L218S212-G214 PolarHBondContact O-N 2.98Å; G214-Q217 PolarHBondContact O-N 2.93Å; G214-L218 PolarHBondContact O-N 3.32Å
215E88.2Confident81.2Confident64 Ų6497.3 Ų97.330%0.29954%0.537SS..Hα-helixtrans-71.4-35.8175.3176.3173.5-153.200112.1P210 Q211 S212 Q217 L218 H219P210-E215 HydrophobicContact CB-CG 4.26Å; Q211-E215 PolarHBondContact N-OE2 3.32Å; S212-E215 PolarHBondContact O-N 3.41Å; S212-E215 VanDerWaalsContact O-N 3.13Å; S212-E215 WeakPolarHBondContact OG-CB 3.21Å; S212-E215 PolarHBondContact OG-N 2.96Å; E215-Q217 VanDerWaalsContact C-N 3.33Å; E215-Q217 PolarHBondContact O-N 3.01Å; E215-L218 PolarHBondContact O-N 3.46Å; E215-H219 WeakPolarHBondContact CG-CE1 3.38Å; E215-H219 VanDerWaalsContact CG-ND1 3.32Å; E215-H219 WeakPolarHBondContact CG-ND1 3.43Å; E215-H219 WeakPolarHBondContact O-CB 3.24Å; E215-H219 PolarHBondContact O-N 2.91Å; E215-H219 PolarHBondContact O-ND1 3.42Å; E215-H219 IonicContact OE1-CE1 2.98Å; E215-H219 PolarHBondContact OE1-CE1 3.48Å
216E85Confident82.7Confident119 Ų11995.4 Ų95.456%0.55653%0.526SS*.Hα-helixtrans-57.9-45.4171.7-176.4-178.3-176.400111.4P210 S212 L218 H219 L220P210-E216 HydrophobicContact CB-CB 4.02Å; P210-E216 HydrophobicContact CG-CB 4.31Å; S212-E216 PolarHBondContact O-N 2.87Å; E216-L218 PolarHBondContact O-N 3.05Å; E216-H219 PolarHBondContact O-N 3.31Å; E216-L220 WeakPolarHBondContact O-CB 3.16Å; E216-L220 PolarHBondContact O-N 3.12Å
217Q88.7Confident84.2Confident116 Ų11693.1 Ų93.154%0.54252%0.524SS..Hα-helixtrans-64.7-38.6177.7-176.861.435.700112.4A213 G214 E215 L220 Q221A213-Q217 PolarHBondContact O-N 3.17Å; G214-Q217 PolarHBondContact O-N 2.93Å; E215-Q217 VanDerWaalsContact C-N 3.33Å; E215-Q217 PolarHBondContact O-N 3.01Å; Q217-L220 PolarHBondContact O-N 3.48Å; Q217-Q221 WeakPolarHBondContact O-CB 3.01Å; Q217-Q221 PolarHBondContact O-N 3.07Å
218L90.8Very high85.8Confident111 Ų11196 Ų9658%0.58153%0.526SS*.Hα-helixtrans-65.4-46.1175.9179.965.1000111.4G214 E215 E216 L220 Q221 L222G214-L218 PolarHBondContact O-N 3.32Å; E215-L218 PolarHBondContact O-N 3.46Å; E216-L218 PolarHBondContact O-N 3.05Å; L218-L220 VanDerWaalsContact C-N 3.34Å; L218-L220 PolarHBondContact O-N 3.19Å; L218-Q221 PolarHBondContact O-N 3.3Å; L218-L222 WeakPolarHBondContact O-CB 3.23Å; L218-L222 PolarHBondContact O-N 2.82Å
219H90.9Very high87.1Confident82 Ų8294.3 Ų94.338%0.3851%0.511SS..Hα-helixtrans-62.8-40.7175.8-76.5114.9000112E215 E216 L222 A223E215-H219 WeakPolarHBondContact CG-CE1 3.38Å; E215-H219 VanDerWaalsContact CG-ND1 3.32Å; E215-H219 WeakPolarHBondContact CG-ND1 3.43Å; E215-H219 WeakPolarHBondContact O-CB 3.24Å; E215-H219 PolarHBondContact O-N 2.91Å; E215-H219 PolarHBondContact O-ND1 3.42Å; E215-H219 IonicContact OE1-CE1 2.98Å; E215-H219 PolarHBondContact OE1-CE1 3.48Å; E216-H219 PolarHBondContact O-N 3.31Å; H219-L222 PolarHBondContact O-N 2.82Å; H219-A223 VanDerWaalsContact O-CB 3.3Å; H219-A223 WeakPolarHBondContact O-CB 3.22Å; H219-A223 PolarHBondContact O-N 3.33Å
220L91.9Very high87.8Confident88 Ų8893.5 Ų93.546%0.46151%0.514SS..Hα-helixtrans-63.1-42.5174.9-176.264.8000111.2E216 Q217 L218 A223 L224E216-L220 WeakPolarHBondContact O-CB 3.16Å; E216-L220 PolarHBondContact O-N 3.12Å; Q217-L220 PolarHBondContact O-N 3.48Å; L218-L220 VanDerWaalsContact C-N 3.34Å; L218-L220 PolarHBondContact O-N 3.19Å; L220-A223 PolarHBondContact O-N 2.99Å; L220-L224 HydrophobicContact CG-CD1 4.31Å; L220-L224 WeakPolarHBondContact O-CB 3.41Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.42Å; L220-L224 PolarHBondContact O-N 3.43Å
221Q93.8Very high88.9Confident124 Ų12496.4 Ų96.458%0.57952%0.522SS*.Hα-helixtrans-63.6-41.8176-174.7171.313.600111.7Q217 L218 A225Q217-Q221 WeakPolarHBondContact O-CB 3.01Å; Q217-Q221 PolarHBondContact O-N 3.07Å; L218-Q221 PolarHBondContact O-N 3.3Å; Q221-A225 VanDerWaalsContact O-CB 3.32Å; Q221-A225 WeakPolarHBondContact O-CB 3.01Å; Q221-A225 PolarHBondContact O-N 3.27Å
222L94.5Very high89.9Confident97 Ų9790.5 Ų90.551%0.50850%0.496SS..Hα-helixtrans-64.2-44.3174.4-179.661.5000111.3L218 H219 L224 A225 I226L218-L222 WeakPolarHBondContact O-CB 3.23Å; L218-L222 PolarHBondContact O-N 2.82Å; H219-L222 PolarHBondContact O-N 2.82Å; L222-L224 PolarHBondContact O-N 3.03Å; L222-A225 PolarHBondContact O-N 3.04Å; L222-I226 HydrophobicContact CD1-CD1 3.93Å; L222-I226 HydrophobicContact CD1-CG1 4.15Å; L222-I226 HydrophobicContact CD2-CD1 4.47Å; L222-I226 HydrophobicContact CG-CD1 3.8Å; L222-I226 HydrophobicContact CG-CG1 4.41Å; L222-I226 WeakPolarHBondContact O-CB 3.2Å; L222-I226 VanDerWaalsContact O-CG1 3.27Å; L222-I226 WeakPolarHBondContact O-CG1 2.9Å; L222-I226 PolarHBondContact O-N 2.98Å
223A91.8Very high90.4Very high49 Ų4994.8 Ų94.841%0.40550%0.502SS..Hα-helixtrans-61.4-44.5177.500000111.6H219 L220 A225 I226 S227H219-A223 VanDerWaalsContact O-CB 3.3Å; H219-A223 WeakPolarHBondContact O-CB 3.22Å; H219-A223 PolarHBondContact O-N 3.33Å; L220-A223 PolarHBondContact O-N 2.99Å; A223-A225 VanDerWaalsContact C-N 3.35Å; A223-A225 PolarHBondContact O-N 3.19Å; A223-I226 PolarHBondContact O-N 3.3Å; A223-S227 WeakPolarHBondContact O-CB 3.39Å; A223-S227 PolarHBondContact O-N 3.03Å; A223-S227 PolarHBondContact O-OG 3.5Å
224L95Very high90.8Very high113 Ų11393.7 Ų93.759%0.59248%0.483SS*.Hα-helixtrans-63.5-40174.3-71.1173000111.9L220 L222 K228L220-L224 HydrophobicContact CG-CD1 4.31Å; L220-L224 WeakPolarHBondContact O-CB 3.41Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.42Å; L220-L224 PolarHBondContact O-N 3.43Å; L222-L224 PolarHBondContact O-N 3.03Å; L224-K228 VanDerWaalsContact O-CB 3.25Å; L224-K228 WeakPolarHBondContact O-CB 3.41Å; L224-K228 PolarHBondContact O-N 3.12Å
225A92.9Very high91Very high54 Ų5494.7 Ų94.745%0.44647%0.473SS..Hα-helixtrans-65-42.8176.500000112Q221 L222 A223 K228 E229Q221-A225 VanDerWaalsContact O-CB 3.32Å; Q221-A225 WeakPolarHBondContact O-CB 3.01Å; Q221-A225 PolarHBondContact O-N 3.27Å; L222-A225 PolarHBondContact O-N 3.04Å; A223-A225 VanDerWaalsContact C-N 3.35Å; A223-A225 PolarHBondContact O-N 3.19Å; A225-K228 PolarHBondContact O-N 2.94Å; A225-E229 PolarHBondContact O-N 3.03Å
226I92.1Very high91.2Very high99 Ų9997.6 Ų97.651%0.50848%0.482SS..Hα-helixtrans-65.9-48.9176.6-67.8168.7000110.4L222 A223 K228 E229 E230L222-I226 HydrophobicContact CD1-CD1 3.93Å; L222-I226 HydrophobicContact CD1-CG1 4.15Å; L222-I226 HydrophobicContact CD2-CD1 4.47Å; L222-I226 HydrophobicContact CG-CD1 3.8Å; L222-I226 HydrophobicContact CG-CG1 4.41Å; L222-I226 WeakPolarHBondContact O-CB 3.2Å; L222-I226 VanDerWaalsContact O-CG1 3.27Å; L222-I226 WeakPolarHBondContact O-CG1 2.9Å; L222-I226 PolarHBondContact O-N 2.98Å; A223-I226 PolarHBondContact O-N 3.3Å; I226-K228 VanDerWaalsContact C-N 3.27Å; I226-K228 PolarHBondContact O-N 2.88Å; I226-E229 PolarHBondContact O-N 3.5Å; I226-E230 WeakPolarHBondContact O-CB 3.42Å; I226-E230 PolarHBondContact O-N 3.32Å
227S90.1Very high91.4Very high72 Ų7297.5 Ų97.550%0.50348%0.476SS..Hα-helixtrans-61.4-35.1177.2-74.30000112.6A223 H231A223-S227 WeakPolarHBondContact O-CB 3.39Å; A223-S227 PolarHBondContact O-N 3.03Å; A223-S227 PolarHBondContact O-OG 3.5Å; S227-H231 WeakPolarHBondContact O-CB 3.26Å; S227-H231 PolarHBondContact O-N 3.05Å
228K95Very high91.6Very high141 Ų14198.8 Ų98.861%0.61348%0.476SS*.Hα-helixtrans-67.2-48.2174.9-172.9-174.6175.4-164.40111.8L224 A225 I226 E230 H231 D232L224-K228 VanDerWaalsContact O-CB 3.25Å; L224-K228 WeakPolarHBondContact O-CB 3.41Å; L224-K228 PolarHBondContact O-N 3.12Å; A225-K228 PolarHBondContact O-N 2.94Å; I226-K228 VanDerWaalsContact C-N 3.27Å; I226-K228 PolarHBondContact O-N 2.88Å; K228-E230 VanDerWaalsContact C-N 3.32Å; K228-E230 PolarHBondContact O-N 2.89Å; K228-H231 PolarHBondContact O-N 3.42Å; K228-D232 PolarHBondContact O-N 2.82Å
229E92.7Very high91.6Very high72 Ų7299.7 Ų99.734%0.33647%0.472SS..Hα-helixtrans-65.8-35.9178.6178.759.4-144.300111.9A225 I226 R233 R236A225-E229 PolarHBondContact O-N 3.03Å; I226-E229 PolarHBondContact O-N 3.5Å; E229-R233 WeakPolarHBondContact O-CB 3.43Å; E229-R233 PolarHBondContact O-N 3.19Å; E229-R233 IonicContact OE1-CZ 3.02Å; E229-R233 IonicContact OE1-NE 3.24Å; E229-R233 IonicContact OE1-NH1 3.07Å; E229-R233 IonicContact OE1-NH2 3.12Å; E229-R236 IonicContact OE1-NH1 2.8Å; E229-R236 IonicContact OE1-NH2 3.54Å; E229-R236 PolarHBondContact OE1-NH2 3.02Å; E229-R236 VanDerWaalsContact OE1-NH2 3.12Å; E229-R236 IonicContact OE2-NH2 2.76Å
230E86.1Confident91.7Very high129 Ų12998.8 Ų98.860%0.60348%0.478SS*.Hα-helixtrans-64.5-43174.4-173.7172-145.600111.4I226 K228 R233 E234I226-E230 WeakPolarHBondContact O-CB 3.42Å; I226-E230 PolarHBondContact O-N 3.32Å; K228-E230 VanDerWaalsContact C-N 3.32Å; K228-E230 PolarHBondContact O-N 2.89Å; E230-R233 PolarHBondContact O-N 3.31Å; E230-E234 WeakPolarHBondContact O-CB 3.17Å; E230-E234 PolarHBondContact O-N 3.36Å
231H91.4Very high91.7Very high119 Ų11999 Ų9955%0.55148%0.477SS*.Hα-helixtrans-62.1-46.8175.2-174.954.2000112.2S227 K228 R233 E234 E235S227-H231 WeakPolarHBondContact O-CB 3.26Å; S227-H231 PolarHBondContact O-N 3.05Å; K228-H231 PolarHBondContact O-N 3.42Å; H231-R233 VanDerWaalsContact C-N 3.32Å; H231-R233 PolarHBondContact O-N 3.02Å; H231-E234 PolarHBondContact O-N 3.32Å; H231-E235 WeakPolarHBondContact O-CB 3.4Å; H231-E235 PolarHBondContact O-N 3.49Å
232D91.7Very high91.7Very high52 Ų5299 Ų9928%0.27848%0.477SS..Hα-helixtrans-65.5-35.4179.3-69.2-11.2000111.7K228 R236K228-D232 PolarHBondContact O-N 2.82Å; D232-R236 WeakPolarHBondContact O-CB 3.44Å; D232-R236 WeakPolarHBondContact O-CG 3.4Å; D232-R236 PolarHBondContact O-N 2.91Å; D232-R236 PolarHBondContact O-NE 2.67Å
233R90.6Very high91.6Very high156 Ų15696.9 Ų96.959%0.58947%0.474SS*.Hα-helixtrans-64.9-47.2172.5-89.8-174.1-178.7117.54.6112.3E229 E230 H231 E235 R236 R237E229-R233 WeakPolarHBondContact O-CB 3.43Å; E229-R233 PolarHBondContact O-N 3.19Å; E229-R233 IonicContact OE1-CZ 3.02Å; E229-R233 IonicContact OE1-NE 3.24Å; E229-R233 IonicContact OE1-NH1 3.07Å; E229-R233 IonicContact OE1-NH2 3.12Å; E230-R233 PolarHBondContact O-N 3.31Å; H231-R233 VanDerWaalsContact C-N 3.32Å; H231-R233 PolarHBondContact O-N 3.02Å; R233-E235 VanDerWaalsContact C-N 3.31Å; R233-E235 PolarHBondContact O-N 3.28Å; R233-R236 VanDerWaalsContact CG-NH1 3.3Å; R233-R236 PolarHBondContact O-N 3.19Å; R233-R237 PolarHBondContact O-N 3.27Å
234E88.5Confident91.7Very high58 Ų58102.3 Ų102.327%0.27149%0.488SS..Hα-helixtrans-63.5-39178.4175.558.7-164.400111.1E230 H231 R237 R238E230-E234 WeakPolarHBondContact O-CB 3.17Å; E230-E234 PolarHBondContact O-N 3.36Å; H231-E234 PolarHBondContact O-N 3.32Å; E234-R237 VanDerWaalsContact CD-NH2 3.26Å; E234-R237 WeakPolarHBondContact O-CB 3.39Å; E234-R237 PolarHBondContact O-N 3.26Å; E234-R237 IonicContact OE1-CZ 3.43Å; E234-R237 IonicContact OE1-NE 3.5Å; E234-R237 IonicContact OE1-NH2 2.78Å; E234-R237 PolarHBondContact OE1-NH2 3.4Å; E234-R237 IonicContact OE2-CZ 2.8Å; E234-R237 IonicContact OE2-NE 3.81Å; E234-R237 PolarHBondContact OE2-NE 2.99Å; E234-R237 IonicContact OE2-NH2 2.66Å; E234-R237 PolarHBondContact OE2-NH2 3.18Å; E234-R238 WeakPolarHBondContact O-CG 3.27Å; E234-R238 PolarHBondContact O-N 3.32Å; E234-R238 IonicContact OE1-CZ 4Å; E234-R238 IonicContact OE1-NE 3.71Å; E234-R238 PolarHBondContact OE1-NE 3.45Å; E234-R238 IonicContact OE1-NH2 3.12Å
235E89Confident91.6Very high73 Ų73103.2 Ų103.234%0.34149%0.489SS..Hα-helixtrans-67.8-37.6176.2-150.4-167.2-166.800112H231 R233 R238 R239H231-E235 WeakPolarHBondContact O-CB 3.4Å; H231-E235 PolarHBondContact O-N 3.49Å; R233-E235 VanDerWaalsContact C-N 3.31Å; R233-E235 PolarHBondContact O-N 3.28Å; E235-R238 PolarHBondContact O-N 3.13Å; E235-R239 VanDerWaalsContact CD-CZ 3.4Å; E235-R239 VanDerWaalsContact CG-NH1 3.35Å; E235-R239 WeakPolarHBondContact O-CG 3.45Å; E235-R239 PolarHBondContact O-N 3.37Å; E235-R239 IonicContact OE1-CZ 3.32Å; E235-R239 IonicContact OE1-NH1 3.23Å; E235-R239 IonicContact OE1-NH2 3.02Å; E235-R239 PolarHBondContact OE1-NH2 3.1Å; E235-R239 IonicContact OE2-CZ 3.82Å; E235-R239 IonicContact OE2-NH1 2.71Å; E235-R239 PolarHBondContact OE2-NH1 2.99Å; E235-R239 IonicContact OE2-NH2 2.78Å; E235-R239 PolarHBondContact OE2-NH2 3.18Å
236R92Very high91.6Very high125 Ų125107.2 Ų107.247%0.47250%0.499SS..Hα-helixtrans-62.8-41.3170.3-81.4178.7-102.1120.6-6.3112E229 D232 R233 A240E229-R236 IonicContact OE1-NH1 2.8Å; E229-R236 IonicContact OE1-NH2 3.54Å; E229-R236 PolarHBondContact OE1-NH2 3.02Å; E229-R236 VanDerWaalsContact OE1-NH2 3.12Å; E229-R236 IonicContact OE2-NH2 2.76Å; D232-R236 WeakPolarHBondContact O-CB 3.44Å; D232-R236 WeakPolarHBondContact O-CG 3.4Å; D232-R236 PolarHBondContact O-N 2.91Å; D232-R236 PolarHBondContact O-NE 2.67Å; R233-R236 VanDerWaalsContact CG-NH1 3.3Å; R233-R236 PolarHBondContact O-N 3.19Å; R236-A240 WeakPolarHBondContact O-CB 3.47Å; R236-A240 PolarHBondContact O-N 3.48Å
237R90.8Very high91.6Very high118 Ų118105 Ų10545%0.44550%0.495SS..Hα-helixtrans-62.3-47.2175.2-173.7-175.77194-0.8111.2R233 E234 A240 E241R233-R237 PolarHBondContact O-N 3.27Å; E234-R237 VanDerWaalsContact CD-NH2 3.26Å; E234-R237 WeakPolarHBondContact O-CB 3.39Å; E234-R237 PolarHBondContact O-N 3.26Å; E234-R237 IonicContact OE1-CZ 3.43Å; E234-R237 IonicContact OE1-NE 3.5Å; E234-R237 IonicContact OE1-NH2 2.78Å; E234-R237 PolarHBondContact OE1-NH2 3.4Å; E234-R237 IonicContact OE2-CZ 2.8Å; E234-R237 IonicContact OE2-NE 3.81Å; E234-R237 PolarHBondContact OE2-NE 2.99Å; E234-R237 IonicContact OE2-NH2 2.66Å; E234-R237 PolarHBondContact OE2-NH2 3.18Å; R237-A240 PolarHBondContact O-N 3.18Å; R237-E241 WeakPolarHBondContact CG-OE1 3.18Å; R237-E241 IonicContact CZ-OE1 3.52Å; R237-E241 IonicContact CZ-OE2 3.92Å; R237-E241 IonicContact NE-OE1 3.61Å; R237-E241 VanDerWaalsContact NH1-CD 3.3Å; R237-E241 IonicContact NH1-OE1 3.82Å; R237-E241 PolarHBondContact NH1-OE1 2.95Å; R237-E241 IonicContact NH1-OE2 3.86Å; R237-E241 PolarHBondContact NH1-OE2 3.45Å; R237-E241 WeakPolarHBondContact O-CG 3.42Å; R237-E241 PolarHBondContact O-N 2.89Å
238R92.1Very high91.8Very high143 Ų143107.9 Ų107.954%0.5450%0.499SS..Hα-helixtrans-59.9-47.5176.4-72.7177.5-175.1-1530.4112.4E234 E235 A240 E241 E242E234-R238 WeakPolarHBondContact O-CG 3.27Å; E234-R238 PolarHBondContact O-N 3.32Å; E234-R238 IonicContact OE1-CZ 4Å; E234-R238 IonicContact OE1-NE 3.71Å; E234-R238 PolarHBondContact OE1-NE 3.45Å; E234-R238 IonicContact OE1-NH2 3.12Å; E235-R238 PolarHBondContact O-N 3.13Å; R238-A240 VanDerWaalsContact C-N 3.29Å; R238-A240 PolarHBondContact O-N 3.41Å; R238-E241 PolarHBondContact O-N 3.14Å; R238-E242 WeakPolarHBondContact O-CB 3.47Å; R238-E242 WeakPolarHBondContact O-CG 3.49Å; R238-E242 PolarHBondContact O-N 2.98Å
239R91Very high91.8Very high130 Ų130104.6 Ų104.649%0.49149%0.491SS..Hα-helixtrans-60.3-37.4175.2-72.9-174.3-173.398.21.6112.6E235 A243E235-R239 VanDerWaalsContact CD-CZ 3.4Å; E235-R239 VanDerWaalsContact CG-NH1 3.35Å; E235-R239 WeakPolarHBondContact O-CG 3.45Å; E235-R239 PolarHBondContact O-N 3.37Å; E235-R239 IonicContact OE1-CZ 3.32Å; E235-R239 IonicContact OE1-NH1 3.23Å; E235-R239 IonicContact OE1-NH2 3.02Å; E235-R239 PolarHBondContact OE1-NH2 3.1Å; E235-R239 IonicContact OE2-CZ 3.82Å; E235-R239 IonicContact OE2-NH1 2.71Å; E235-R239 PolarHBondContact OE2-NH1 2.99Å; E235-R239 IonicContact OE2-NH2 2.78Å; E235-R239 PolarHBondContact OE2-NH2 3.18Å; R239-A243 VanDerWaalsContact O-CB 3.24Å; R239-A243 WeakPolarHBondContact O-CB 3.36Å; R239-A243 PolarHBondContact O-N 3.38Å
240A91.9Very high91.8Very high62 Ų62107.6 Ų107.651%0.51250%0.504SS..Hα-helixtrans-69.7-37.9176.100000112.4R236 R237 R238 K244R236-A240 WeakPolarHBondContact O-CB 3.47Å; R236-A240 PolarHBondContact O-N 3.48Å; R237-A240 PolarHBondContact O-N 3.18Å; R238-A240 VanDerWaalsContact C-N 3.29Å; R238-A240 PolarHBondContact O-N 3.41Å; A240-K244 WeakPolarHBondContact O-CB 3.34Å; A240-K244 PolarHBondContact O-N 3.06Å
241E93Very high92Very high94 Ų94107.6 Ų107.644%0.43951%0.506SS..Hα-helixtrans-67.8-45.6174.5-74.6172-173.200111.5R237 R238 K244 E245R237-E241 WeakPolarHBondContact CG-OE1 3.18Å; R237-E241 IonicContact CZ-OE1 3.52Å; R237-E241 IonicContact CZ-OE2 3.92Å; R237-E241 IonicContact NE-OE1 3.61Å; R237-E241 VanDerWaalsContact NH1-CD 3.3Å; R237-E241 IonicContact NH1-OE1 3.82Å; R237-E241 PolarHBondContact NH1-OE1 2.95Å; R237-E241 IonicContact NH1-OE2 3.86Å; R237-E241 PolarHBondContact NH1-OE2 3.45Å; R237-E241 WeakPolarHBondContact O-CG 3.42Å; R237-E241 PolarHBondContact O-N 2.89Å; R238-E241 PolarHBondContact O-N 3.14Å; E241-K244 WeakPolarHBondContact O-CB 3.44Å; E241-K244 PolarHBondContact O-N 3.5Å; E241-E245 WeakPolarHBondContact O-CB 3.45Å; E241-E245 PolarHBondContact O-N 3.29Å
242E93.3Very high91.9Very high122 Ų122105.9 Ų105.957%0.5750%0.504SS*.Hα-helixtrans-60.9-43.4174.3-73.6171-172.700111.5R238 K244 E245 E246R238-E242 WeakPolarHBondContact O-CB 3.47Å; R238-E242 WeakPolarHBondContact O-CG 3.49Å; R238-E242 PolarHBondContact O-N 2.98Å; E242-K244 VanDerWaalsContact C-N 3.32Å; E242-K244 PolarHBondContact O-N 2.57Å; E242-E245 PolarHBondContact O-N 3.4Å; E242-E246 WeakPolarHBondContact O-CB 3.31Å; E242-E246 PolarHBondContact O-N 3.26Å
243A93.5Very high91.8Very high54 Ų54108.7 Ų108.745%0.44652%0.518SS..Hα-helixtrans-65-35.3175.700000112.5R239 A247R239-A243 VanDerWaalsContact O-CB 3.24Å; R239-A243 WeakPolarHBondContact O-CB 3.36Å; R239-A243 PolarHBondContact O-N 3.38Å; A243-A247 WeakPolarHBondContact O-CB 3.46Å; A243-A247 PolarHBondContact O-N 2.83Å
244K93.3Very high91.6Very high163 Ų163106.4 Ų106.471%0.70951%0.514SS*.Hα-helixtrans-69.9-39.8174.4-174.9-178177.7-176.40111.3A240 E241 E242 K248A240-K244 WeakPolarHBondContact O-CB 3.34Å; A240-K244 PolarHBondContact O-N 3.06Å; E241-K244 WeakPolarHBondContact O-CB 3.44Å; E241-K244 PolarHBondContact O-N 3.5Å; E242-K244 VanDerWaalsContact C-N 3.32Å; E242-K244 PolarHBondContact O-N 2.57Å; K244-K248 WeakPolarHBondContact O-CB 3.43Å; K244-K248 PolarHBondContact O-N 2.94Å
245E93.2Very high91.4Very high131 Ų131108.7 Ų108.761%0.61252%0.524SS*.Hα-helixtrans-65.5-44.7174.9-174.6171.1-170.700111.1E241 E242 A247 K248 V249E241-E245 WeakPolarHBondContact O-CB 3.45Å; E241-E245 PolarHBondContact O-N 3.29Å; E242-E245 PolarHBondContact O-N 3.4Å; E245-A247 PolarHBondContact O-N 3.26Å; E245-K248 CarbonylContact O-C 3.57Å; E245-K248 WeakPolarHBondContact O-CA 3.5Å; E245-K248 WeakPolarHBondContact O-CB 3.33Å; E245-K248 PolarHBondContact O-N 3.36Å; E245-K248 VanDerWaalsContact O-N 3.1Å; E245-V249 HydrophobicContact CG-CG2 4.48Å; E245-V249 WeakPolarHBondContact O-CG2 3.45Å; E245-V249 PolarHBondContact O-N 3.05Å
246E92.3Very high91.2Very high138 Ų138108.2 Ų108.265%0.64553%0.529SS*.Hα-helixtrans-61-44.1175.3-172.6179-177.800111.5E242 K248 V249 Q250E242-E246 WeakPolarHBondContact O-CB 3.31Å; E242-E246 PolarHBondContact O-N 3.26Å; E246-K248 VanDerWaalsContact C-N 3.28Å; E246-K248 PolarHBondContact O-N 3.13Å; E246-V249 PolarHBondContact O-N 3.33Å; E246-Q250 WeakPolarHBondContact O-CB 3.4Å; E246-Q250 PolarHBondContact O-N 3.28Å
247A92.7Very high90.9Very high53 Ų53109.5 Ų109.544%0.43853%0.534SS..Hα-helixtrans-61.5-36.9174.200000112.2A243 E245 M251A243-A247 WeakPolarHBondContact O-CB 3.46Å; A243-A247 PolarHBondContact O-N 2.83Å; E245-A247 PolarHBondContact O-N 3.26Å; A247-M251 WeakPolarHBondContact O-CB 3.34Å; A247-M251 PolarHBondContact O-N 3.45Å
248K93.6Very high90.5Very high132 Ų132112.7 Ų112.757%0.57455%0.546SS*.Hα-helixtrans-67.7-44.9174.7-172.4-177.5178.9-172.60111.2K244 E245 E246 Q250 M251 V252K244-K248 WeakPolarHBondContact O-CB 3.43Å; K244-K248 PolarHBondContact O-N 2.94Å; E245-K248 CarbonylContact O-C 3.57Å; E245-K248 WeakPolarHBondContact O-CA 3.5Å; E245-K248 WeakPolarHBondContact O-CB 3.33Å; E245-K248 PolarHBondContact O-N 3.36Å; E245-K248 VanDerWaalsContact O-N 3.1Å; E246-K248 VanDerWaalsContact C-N 3.28Å; E246-K248 PolarHBondContact O-N 3.13Å; K248-Q250 VanDerWaalsContact C-N 3.34Å; K248-Q250 PolarHBondContact O-N 2.69Å; K248-M251 WeakPolarHBondContact O-CB 3.42Å; K248-M251 PolarHBondContact O-N 2.97Å; K248-V252 WeakPolarHBondContact O-CG2 3.47Å; K248-V252 PolarHBondContact O-N 2.9Å
249V94.6Very high89.8Confident73 Ų73111 Ų11144%0.44254%0.544SS..Hα-helixtrans-61.8-43.6176.8170.90000110.5E245 E246 M251 V252 I253E245-V249 HydrophobicContact CG-CG2 4.48Å; E245-V249 WeakPolarHBondContact O-CG2 3.45Å; E245-V249 PolarHBondContact O-N 3.05Å; E246-V249 PolarHBondContact O-N 3.33Å; V249-M251 VanDerWaalsContact C-N 3.33Å; V249-M251 PolarHBondContact O-N 2.89Å; V249-V252 PolarHBondContact O-N 3.32Å; V249-I253 HydrophobicContact CG1-CD1 3.78Å; V249-I253 HydrophobicContact CG1-CG1 4.42Å; V249-I253 WeakPolarHBondContact O-CG1 3.38Å; V249-I253 PolarHBondContact O-N 3.27Å
250Q92.6Very high89.1Confident134 Ų134110.3 Ų110.363%0.62655%0.546SS*.Hα-helixtrans-62.8-40.1177.2-167.8170.129.100112E246 K248 I253 E254E246-Q250 WeakPolarHBondContact O-CB 3.4Å; E246-Q250 PolarHBondContact O-N 3.28Å; K248-Q250 VanDerWaalsContact C-N 3.34Å; K248-Q250 PolarHBondContact O-N 2.69Å; Q250-I253 PolarHBondContact O-N 3.4Å; Q250-E254 WeakPolarHBondContact O-CB 3.23Å; Q250-E254 PolarHBondContact O-N 3.35Å
251M90.2Very high88Confident130 Ų130113.3 Ų113.364%0.6455%0.55SS**Hα-helixtrans-61.8-43.4174.1-173.1-172.6-56.400112A247 K248 V249 E254 Q255A247-M251 WeakPolarHBondContact O-CB 3.34Å; A247-M251 PolarHBondContact O-N 3.45Å; K248-M251 WeakPolarHBondContact O-CB 3.42Å; K248-M251 PolarHBondContact O-N 2.97Å; V249-M251 VanDerWaalsContact C-N 3.33Å; V249-M251 PolarHBondContact O-N 2.89Å; M251-E254 PolarHBondContact O-N 3.02Å; M251-Q255 WeakPolarHBondContact O-CB 3.49Å; M251-Q255 PolarHBondContact O-N 2.98Å
252V89.1Confident86.7Confident82 Ų82116.3 Ų116.350%0.49756%0.562SS.*Hα-helixtrans-65.7-43178.41720000111.4K248 V249 Q255 S256K248-V252 WeakPolarHBondContact O-CG2 3.47Å; K248-V252 PolarHBondContact O-N 2.9Å; V249-V252 PolarHBondContact O-N 3.32Å; V252-Q255 PolarHBondContact O-N 3.43Å; V252-S256 WeakPolarHBondContact O-CB 3.38Å; V252-S256 PolarHBondContact O-N 3.37Å
253I89.5Confident85.1Confident111 Ų111117.2 Ų117.257%0.56957%0.57SS**Hα-helixtrans-63.5-44.7176.9-67.7169.4000110.7V249 Q250 Q255 S256 R257V249-I253 HydrophobicContact CG1-CD1 3.78Å; V249-I253 HydrophobicContact CG1-CG1 4.42Å; V249-I253 WeakPolarHBondContact O-CG1 3.38Å; V249-I253 PolarHBondContact O-N 3.27Å; Q250-I253 PolarHBondContact O-N 3.4Å; I253-Q255 VanDerWaalsContact C-N 3.35Å; I253-S256 PolarHBondContact O-N 3.43Å; I253-R257 PolarHBondContact O-N 2.92Å
254E88.3Confident83.6Confident108 Ų108122.9 Ų122.951%0.50559%0.585SS.*Hα-helixtrans-66.9-37178.6-172.361-159.100111.7Q250 M251 R257 R258Q250-E254 WeakPolarHBondContact O-CB 3.23Å; Q250-E254 PolarHBondContact O-N 3.35Å; M251-E254 PolarHBondContact O-N 3.02Å; E254-R257 PolarHBondContact O-N 3.09Å; E254-R258 WeakPolarHBondContact O-CB 3.3Å; E254-R258 PolarHBondContact O-N 2.85Å
255Q84.4Confident81.8Confident107 Ų107120.1 Ų120.150%0.559%0.586SS.*Hα-helixtrans-63-46.4174-174.5175.3-15.500111.3M251 V252 I253 R257 R258 E259M251-Q255 WeakPolarHBondContact O-CB 3.49Å; M251-Q255 PolarHBondContact O-N 2.98Å; V252-Q255 PolarHBondContact O-N 3.43Å; I253-Q255 VanDerWaalsContact C-N 3.35Å; Q255-R257 PolarHBondContact O-N 3.37Å; Q255-R258 PolarHBondContact O-N 3.01Å; Q255-R258 VanDerWaalsContact O-N 3.15Å; Q255-E259 PolarHBondContact NE2-OE1 3.2Å; Q255-E259 PolarHBondContact O-N 3.33Å
256S84.3Confident79.7Confident63 Ų63117 Ų11744%0.44159%0.589SS.*Hα-helixtrans-61.1-42.4176.8-177.80000112V252 I253 R258 E259 E260V252-S256 WeakPolarHBondContact O-CB 3.38Å; V252-S256 PolarHBondContact O-N 3.37Å; I253-S256 PolarHBondContact O-N 3.43Å; S256-R258 VanDerWaalsContact C-N 3.28Å; S256-R258 PolarHBondContact O-N 3.29Å; S256-E259 PolarHBondContact O-N 3.3Å; S256-E260 PolarHBondContact O-N 3.23Å; S256-E260 VanDerWaalsContact O-N 3.12Å
257R86.2Confident77.3Confident152 Ų152119.4 Ų119.457%0.57460%0.597SS**Hα-helixtrans-62.2-35175.6-171.4-179179.8176.41.3112.7I253 E254 Q255 Q261I253-R257 PolarHBondContact O-N 2.92Å; E254-R257 PolarHBondContact O-N 3.09Å; Q255-R257 PolarHBondContact O-N 3.37Å; R257-Q261 PolarHBondContact O-N 2.96Å
258R81.1Confident75.1Confident185 Ų185125.5 Ų125.570%0.69862%0.617SS**Hα-helixtrans-74.7-30.3179.6-161.9172.9-171.5-177.62.7112.6E254 Q255 S256E254-R258 WeakPolarHBondContact O-CB 3.3Å; E254-R258 PolarHBondContact O-N 2.85Å; Q255-R258 PolarHBondContact O-N 3.01Å; Q255-R258 VanDerWaalsContact O-N 3.15Å; S256-R258 VanDerWaalsContact C-N 3.28Å; S256-R258 PolarHBondContact O-N 3.29Å
259E77.9Confident72.5Confident108 Ų108124.9 Ų124.951%0.50563%0.629SS.*Hα-helixtrans-71.7-43.5173.7-73.3173.7-168.700111.3Q255 S256 Q261 K262 D263Q255-E259 PolarHBondContact NE2-OE1 3.2Å; Q255-E259 PolarHBondContact O-N 3.33Å; S256-E259 PolarHBondContact O-N 3.3Å; E259-Q261 VanDerWaalsContact C-N 3.26Å; E259-Q261 PolarHBondContact O-N 3.5Å; E259-K262 PolarHBondContact O-N 2.91Å; E259-K262 VanDerWaalsContact O-N 3.09Å; E259-D263 PolarHBondContact O-N 2.82Å
260E75.5Confident70.1Confident114 Ų114125.8 Ų125.853%0.53364%0.644SS.*Hα-helixtrans-61.3-30.6177.5-75-167.7168.900114.3S256S256-E260 PolarHBondContact O-N 3.23Å; S256-E260 VanDerWaalsContact O-N 3.12Å
261Q69.7Low67.7Low126 Ų126124.1 Ų124.159%0.58965%0.647SS**Hα-helixtrans-75.6-28.5177.6-73.2-174.50.800112.8R257 E259R257-Q261 PolarHBondContact O-N 2.96Å; E259-Q261 VanDerWaalsContact C-N 3.26Å; E259-Q261 PolarHBondContact O-N 3.5Å
262K66.4Low65.4Low157 Ų157125.5 Ų125.568%0.68366%0.657SS**Hα-helixtrans-70.7-32177-87.6-178.1172.3179.70112.5E259E259-K262 PolarHBondContact O-N 2.91Å; E259-K262 VanDerWaalsContact O-N 3.09Å
263D59.9Low63.5Low141 Ų141129 Ų12975%0.75467%0.672SS**Hα-helixtrans-80.8-16.3-177-69.8-23.1000113.9E259E259-D263 PolarHBondContact O-N 2.82Å
264K61Low61.5Low173 Ų173128.7 Ų128.775%0.75268%0.677SS**THydrogen-bonded Turntrans-90.8-10.9-179-72.6175.1-179.4164.40114.9
265S54.7Low59.3Low105 Ų105129.3 Ų129.373%0.73469%0.693SS**SBendtrans-103.211.9-178.962.20000115.4
266G50.5Low57.3Low66 Ų66127.5 Ų127.568%0.6870%0.703SS**  trans-105.819-166.400000118.8
267K40.6Very low55.3Low187 Ų187130 Ų13081%0.81372%0.72SS**  trans-142.9113.8175.8-87.3170.2-179.91640109.9
268H46.7Very low53.3Low182 Ų182127.7 Ų127.784%0.84373%0.728SS**  trans166.3115142.3-81-57000110.1
269S40.3Very low51.3Low119 Ų119124 Ų12483%0.83273%0.73SS**  trans65.8139.9147.3-56.70000118.3
270A43.4Very low49.3Very low91 Ų91123 Ų12375%0.75274%0.741SS**  cis-163159.16.300000109.3
271S42.3Very low47.7Very low100 Ų100127.5 Ų127.570%0.69976%0.759SS**  trans-40.5138.4164.2510000116.4
272N42.4Very low46.2Very low159 Ų159129.7 Ų129.785%0.8577%0.769SS**  -172.9126.5119.4-99.2-9.3000112.6
273I48.7Very low45.2Very low156 Ų156127.5 Ų127.580%0.877%0.771SS**  trans-78.2178.8167-19.6-178.5000107.4
274P46.8Very low44.5Very low104 Ų104126.3 Ų126.368%0.67577%0.771SS**  cis-150.2-177.70.738.4-14.2000119.2
275S42.8Very low43.2Very low120 Ų120122.9 Ų122.984%0.83977%0.769SS**  trans100.2130.8137.9-62.10000121.5
276G42.2Very low42.4Very low69 Ų69123.9 Ų123.971%0.71177%0.774SS**  trans11089.5149.400000115.1
277S42.6Very low41.9Very low116 Ų116125.2 Ų125.281%0.81178%0.778SS**  56.2131.6104.376.80000114.2
278S43.2Very low41.9Very low104 Ų104122 Ų12273%0.72778%0.777SS**  cis179.8166.919.434.80000108
279S40.4Very low41.7Very low107 Ų107119 Ų11975%0.74878%0.776SS**  trans70.597.8156.765.60000120.1
280A36.1Very low41.5Very low88 Ų88117.2 Ų117.273%0.72778%0.776SS**  33.1122.4114.200000118.8
281F40.7Very low41.2Very low207 Ų207115.6 Ų115.691%0.90877%0.769SS**  -171.5151.6120.3-110.7-82.2000110.5
282E38.7Very low41Very low173 Ų173118.8 Ų118.881%0.80878%0.777SS**  trans-59.6167.2-166.5-94.5175.5128.300119.8
283P45.2Very low41Very low111 Ų111120.4 Ų120.472%0.72178%0.777SS**  trans-90.6172.4-174.343.3-37.3000111.8
284P44.6Very low40.7Very low116 Ų116120.8 Ų120.875%0.75378%0.781SS**  -157.1178.266.839-14.7000118.6
285S35.2Very low40.5Very low101 Ų101123.9 Ų123.971%0.70679%0.79SS**  trans68113.6151.674.30000121.1
286C36.7Very low40.6Very low126 Ų126123.5 Ų123.585%0.85178%0.783SS**  174.5146.1103.4-85.80000111
287A39.7Very low40.5Very low93 Ų93126.9 Ų126.977%0.76979%0.785SS**  trans-57.9-176179.700000114
288P41.5Very low40.5Very low120 Ų120127.9 Ų127.978%0.77979%0.786SS**  cis-147.4-173.815.338.8-15.2000117.5
289S42Very low40.4Very low119 Ų119127.7 Ų127.783%0.83278%0.784SS**  trans97.8115.2141.9-1500000120.1
290G36.2Very low40.1Very low81 Ų81130.7 Ų130.784%0.83579%0.791SS**  trans49.8139.4140.500000120.2
291G36.9Very low40.3Very low57 Ų57132.1 Ų132.159%0.58880%0.796SS**  cis164.5146.911.200000108.3
292L39.5Very low40.2Very low167 Ų167128.7 Ų128.787%0.87479%0.792SS**  trans5585.4137.5-49.7178.9000119.8
293F40.9Very low40.2Very low194 Ų194124.5 Ų124.585%0.85179%0.787SS**  trans-146.7120.7147.4-68.3-75.9000109.5
294N43.2Very low39.8Very low164 Ų164125.1 Ų125.188%0.87779%0.791SS**  trans149.188.7144.3-74.3-17.7000112.1
295L42.1Very low39.6Very low168 Ų168123.9 Ų123.988%0.8879%0.79SS**  trans-156.185.3156.2-142164.1000110.6
296V45.7Very low40Very low112 Ų112126.9 Ų126.968%0.67979%0.793SS**  trans-172.996.7148.649.50000108
297D39.2Very low40.5Very low141 Ų141127.7 Ų127.775%0.75479%0.788SS**  trans158.1122138.8-101.4-40.5000109
298T43.2Very low40.9Very low136 Ų136128.6 Ų128.683%0.83479%0.786SS**  169.5124.9122.1-650000109.9
299S39.9Very low41.2Very low100 Ų100127.6 Ų127.670%0.69977%0.774SS**  trans-52.1153.3177.1-53.30000116.4
300L35.8Very low41.6Very low171 Ų171127.5 Ų127.590%0.89577%0.771SS**  trans11.9121.7139.9-62.9163000117.8
301S39.6Very low42.3Very low117 Ų117134 Ų13482%0.81877%0.77SS**  trans115.5131.6141.6-144.50000116.9
302V38.8Very low42.6Very low135 Ų135135.7 Ų135.782%0.81877%0.773SS**  trans87.997.4163.9-170.50000117.4
303A37.4Very low42.9Very low86 Ų86132.3 Ų132.371%0.71177%0.769SS**  trans-70.8162.7153.800000109.9
304P38.2Very low42.9Very low123 Ų123128.5 Ų128.580%0.79976%0.764SS**  cis-150.517639.239.8-17.1000118.4
305A40.3Very low42.9Very low90 Ų90129.1 Ų129.174%0.74477%0.766SS**  trans90.6117.815100000119.8
306H42.6Very low42.8Very low164 Ų164125.6 Ų125.676%0.75976%0.762SS**  trans88.6123.3158.5121.8-50.3000118.4
307L48.9Very low42.9Very low143 Ų143126.1 Ų126.175%0.74977%0.765SS**  trans85.4146.3156.4-64.5176.1000119.2
308P47.7Very low43.6Very low113 Ų113125.2 Ų125.273%0.73477%0.766SS**  trans-92.8149.6-136.934.8-33.7000114.3
309D46.6Very low43.2Very low99 Ų99123.9 Ų123.953%0.52976%0.763SS.*  trans-60.7125.7-179.8-179.5-6.2000113W311 S312D309-W311 VanDerWaalsContact C-N 3.28Å; D309-W311 PolarHBondContact O-N 3.34Å; D309-W311 PolarHBondContact OD1-N 2.89Å; D309-W311 VanDerWaalsContact OD1-N 3.13Å; D309-S312 PolarHBondContact O-N 2.98Å
310P51.3Low43.2Very low117 Ų117126.9 Ų126.976%0.7677%0.771SS**THydrogen-bonded Turntrans-75.74.5-175.532-36.6000116.1
311W51.5Low43.2Very low217 Ų217123.3 Ų123.382%0.82276%0.76SS**THydrogen-bonded Turntrans-95.34.8171-70.4-60000115.3D309 A313D309-W311 VanDerWaalsContact C-N 3.28Å; D309-W311 PolarHBondContact O-N 3.34Å; D309-W311 PolarHBondContact OD1-N 2.89Å; D309-W311 VanDerWaalsContact OD1-N 3.13Å; W311-A313 PolarHBondContact O-N 3.35Å; W311-A313 VanDerWaalsContact O-N 3.08Å
312S42Very low43.2Very low93 Ų93125.1 Ų125.165%0.6576%0.76SS**  trans-74.692.6163.8-67.20000109.9D309 P314D309-S312 PolarHBondContact O-N 2.98Å; S312-P314 WeakPolarHBondContact O-CD 3.21Å
313A45.8Very low43.1Very low95 Ų95124.8 Ų124.879%0.78575%0.754SS**  trans-62.8121.117100000110.9W311W311-A313 PolarHBondContact O-N 3.35Å; W311-A313 VanDerWaalsContact O-N 3.08Å
314P42Very low43.1Very low115 Ų115126.8 Ų126.875%0.74775%0.752SS**  trans-101.2109.4162.929.1-11.7000108.3S312 A316S312-P314 WeakPolarHBondContact O-CD 3.21Å; P314-A316 VanDerWaalsContact C-N 3.29Å; P314-A316 PolarHBondContact O-N 3.02Å
315L42.4Very low43.1Very low176 Ų176127.1 Ų127.192%0.92175%0.747SS**  trans-71.393.2160.3-71.8175.6000107.7
316A40.1Very low43.2Very low95 Ų95129.5 Ų129.579%0.78575%0.748SS**  trans-75.3124.2171.200000110.3P314P314-A316 VanDerWaalsContact C-N 3.29Å; P314-A316 PolarHBondContact O-N 3.02Å
317V48.8Very low43.1Very low123 Ų123126.8 Ų126.875%0.74574%0.742SS**  trans-74.4135.9172.3178.30000109.6S319V317-S319 PolarHBondContact O-N 3.19Å
318P52.3Low42.8Very low121 Ų121127.3 Ų127.379%0.78675%0.745SS**  trans-83.9110.816330-26.8000110
319S35.9Very low42.5Very low109 Ų109126.4 Ų126.476%0.76274%0.742SS**  trans-62.9125.9163.9-57.90000109.9V317V317-S319 PolarHBondContact O-N 3.19Å
320N39.1Very low42.5Very low163 Ų163127 Ų12787%0.87275%0.754SS**  trans-132.5119.2152.6-116.18.3000109.3
321S35.7Very low42.3Very low95 Ų95127 Ų12766%0.66475%0.754SS**  trans-55.3145.6172.2530000112.7
322L40.2Very low42.1Very low156 Ų156121.8 Ų121.882%0.81775%0.748SS**  trans169.199.4133.2-104.984.6000106.5
323N36.8Very low42.2Very low128 Ų128123.9 Ų123.968%0.68476%0.757SS**  72.198.198.3-166.529.4000114.8
324N37.2Very low41.7Very low127 Ų127123.7 Ų123.768%0.67975%0.75SS**  172.8109.5118.1-97.3-26.6000112.6
325N39.2Very low41.9Very low130 Ų130128.5 Ų128.570%0.69576%0.759SS**  49.2137124.9-66.9-13.2000123.5
326N40.7Very low41.6Very low141 Ų141127.2 Ų127.275%0.75475%0.754SS**  trans95.4126.2151-68.2-4.4000117
327T41.3Very low41.3Very low106 Ų106129.3 Ų129.365%0.6575%0.751SS**  cis-179.8152.8-5.220.60000107.6
328L41.9Very low41.2Very low154 Ų154129.8 Ų129.881%0.80676%0.755SS**  trans88105.6145.8-96.170.4000121.6
329S42.5Very low40.4Very low94 Ų94128.7 Ų128.766%0.65775%0.75SS**  102.885114.3-62.10000122.3
330S46.7Very low40.9Very low112 Ų112131.4 Ų131.478%0.78375%0.754SS**  41.8164.9107.2-33.90000123.5
331P45.4Very low40.9Very low118 Ų118128.4 Ų128.477%0.76674%0.744SS**  -144.7-145.4-56.448.1-27.5000112.5
332P48.3Very low40.8Very low107 Ų107132.5 Ų132.570%0.69575%0.752SS**  -122-174.6-128.832.8-6.9000115.5
333T43.3Very low40.7Very low136 Ų136130 Ų13083%0.83475%0.748SS**  trans176.3151.3137.728.20000115
334S37.1Very low40.6Very low92 Ų92130.5 Ų130.564%0.64376%0.756SS**  trans-65.1154.4-179.3490000118.2
335F44.6Very low41Very low215 Ų215133.2 Ų133.294%0.94376%0.762SS**  trans-147.5147.9143.3-76.2-67.9000113.2
336N36.8Very low41Very low150 Ų150132.4 Ų132.480%0.80276%0.764SS**  trans-112.8167.1-161.3-130.7-6.1000111.3
337N33.5Very low40.6Very low138 Ų138133.7 Ų133.774%0.73877%0.77SS**  trans73.7124.7154-88-8.9000121.5
338T45.8Very low40.9Very low134 Ų134136 Ų13682%0.82278%0.777SS**  -169.3133.797.8-67.60000111.4
339S36.3Very low41.1Very low97 Ų97134 Ų13468%0.67877%0.773SS**  trans-81.1162178.1410000113.5
340I46.9Very low41.3Very low166 Ų166137.6 Ų137.685%0.85178%0.783SS**  trans174.1152.3143.6-87.7154.9000110
341P37.8Very low41.4Very low100 Ų100139.2 Ų139.265%0.64978%0.783SS**  -120.7176.4-128.745-37.5000118.3
342Q34.2Very low42Very low181 Ų181139 Ų13985%0.84678%0.775SS**  trans58.2118.7145.5-77.5175.4-13.100121.3
343S39.3Very low42.2Very low105 Ų105139.4 Ų139.473%0.73478%0.778SS**  -172.7138109.451.60000111.8
344T34.4Very low42.7Very low137 Ų137143.8 Ų143.884%0.8478%0.779SS**  trans-98.3131.7-175.9-39.90000108.5
345F44.6Very low43.4Very low184 Ų184143.8 Ų143.881%0.80778%0.779SS**  trans-127.7138.1164-75.3-73.4000110.3
346P38.8Very low43.4Very low113 Ų113139.6 Ų139.673%0.73477%0.773SS**  trans-85.1155.5-172.434.8-33.2000112.7
347L34.1Very low44Very low169 Ų169141.2 Ų141.289%0.88577%0.773SS**  trans-58.3139.4174.8-79.780.3000112.4
348I47.8Very low44.6Very low155 Ų155142.6 Ų142.680%0.79578%0.781SS**  trans-107.5121.1164.8-53.6170.1000107.4
349P44.5Very low44.3Very low112 Ų112144.9 Ų144.973%0.72778%0.782SS**  trans-77.9130.1169.6-7.725.2000110.2D351P349-D351 PolarHBondContact O-N 3.21Å
350I47.9Very low44.9Very low168 Ų168146 Ų14686%0.86279%0.787SS**  trans-77.6114.9170.5-73.4167.6000108
351D48.1Very low44.5Very low147 Ų147145.4 Ų145.479%0.78679%0.785SS**  trans-70.5138.3169.9-87.5-51.4000111.2P349P349-D351 PolarHBondContact O-N 3.21Å
352D57.6Low44.7Very low112 Ų112148.6 Ų148.660%0.59980%0.795SS**  trans-71.6125.6180-178.8-1.6000111.8W354D352-W354 PolarHBondContact O-N 3.05Å; D352-W354 PolarHBondContact OD1-N 3.08Å
353P53.4Low45Very low117 Ų117144.9 Ų144.976%0.7679%0.787SS**THydrogen-bonded Turntrans-71.17.2-174.719.8-24000116.6
354W53.8Low44.9Very low228 Ų228144.7 Ų144.786%0.86478%0.782SS**THydrogen-bonded Turntrans-118.913-167.6-70.654.1000115.6D352D352-W354 PolarHBondContact O-N 3.05Å; D352-W354 PolarHBondContact OD1-N 3.08Å
355S52.1Low45.3Very low92 Ų92149.7 Ų149.764%0.64379%0.787SS**  trans-95.4131.8178.7-71.30000113.7K357S355-K357 PolarHBondContact O-N 3.13Å
356P44.3Very low45Very low126 Ų126145.4 Ų145.482%0.81878%0.779SS**  trans-81.7118.1-177.332.2-30.9000110.9
357K49Very low45Very low184 Ų184146.1 Ų146.180%0.878%0.782SS**  trans-98.4112174.1-83.2176.9178.2167.80111.3S355S355-K357 PolarHBondContact O-N 3.13Å
358N45.2Very low45.2Very low168 Ų168144.5 Ų144.590%0.89878%0.779SS**  trans-70128.8161.9-82.6-27.7000110.2
359H41.4Very low44.7Very low181 Ų181142.1 Ų142.184%0.83878%0.776SS**  trans-92.4152.9171.1-83.7-88.7000111.6
360P47.3Very low44.3Very low122 Ų122142.8 Ų142.879%0.79278%0.778SS**  -136.8133.6129.931.5-16000115
361N39.2Very low43.8Very low152 Ų152140.1 Ų140.181%0.81378%0.775SS**  trans27.6132.2142.3-90.2-13000122.6
362I42.6Very low43.1Very low167 Ų167140.5 Ų140.586%0.85678%0.777SS**  177.6150.8113.5-86.7159.6000109.9
363P39.4Very low42.2Very low103 Ų103143.4 Ų143.467%0.66979%0.787SS**  trans-117.8163.3-133.742-32.8000118.4
364T37.1Very low41.3Very low102 Ų102143.9 Ų143.963%0.62678%0.781SS**  trans50.6119.4138.4-47.70000122.4
365Y43.9Very low40.4Very low242 Ų242144.1 Ų144.195%0.94978%0.782SS**  -136.8131.4126.7-77.5-76.8000110.5
366S37.1Very low39.5Very low93 Ų93146.8 Ų146.865%0.6579%0.789SS**  trans-82.2153.9-172-39.70000113.4
367T38.8Very low39.1Very low128 Ų128147.9 Ų147.979%0.78579%0.788SS**  -178.9110.611632.60000113.8
368T37.9Very low38.2Very low135 Ų135146.7 Ų146.783%0.82879%0.785SS**  trans50.7112.4131.459.30000122.2
369S39Very low37.8Very low105 Ų105142.7 Ų142.773%0.73477%0.77SS**  170.697.1105.7-175.30000109.3
370T35Very low37.3Very low126 Ų126139.7 Ų139.777%0.77376%0.764SS**  43.6126.4104.737.70000114.3
371S38.1Very low36.8Very low112 Ų112142.1 Ų142.178%0.78377%0.77SS**  cis-169.3147.218.439.40000110.3
372D33.4Very low36.6Very low155 Ų155138.3 Ų138.383%0.82977%0.767SS**  trans-62.8164168-62.4-69.5000113.8
373E37.7Very low36.3Very low173 Ų173134.9 Ų134.981%0.80876%0.763SS**  trans138.4146.3146.2-75.8-158.5158.500109.6
374I35.5Very low36.1Very low127 Ų127136.1 Ų136.165%0.65177%0.769SS**  cis-178.7151.3-2.4-102.8169.8000103.7
375W34.6Very low36.2Very low234 Ų234139.4 Ų139.489%0.88678%0.782SS**  trans-55.2130.8170.1-62.780.4000114.1
376N33.3Very low35.7Very low147 Ų147132.9 Ų132.979%0.78677%0.769SS**  170.4153.7127.7-108.6-27.3000116
377L34.9Very low35.7Very low150 Ų150134.5 Ų134.579%0.78578%0.78SS**  trans78.4109.6153.7-63.8145.3000117
378E30.9Very low35.4Very low159 Ų159134.9 Ų134.974%0.74378%0.783SS**  91.2129.571-17560.4-119.200112.4
379S36.1Very low35.4Very low83 Ų83133.3 Ų133.358%0.5878%0.777SS**  trans77.1107.6155.6-80.10000123
380T32.2Very low35.3Very low118 Ų118135.7 Ų135.772%0.72478%0.782SS**  79.9141.5114.8-51.50000120.5
381L36.1Very low35.2Very low174 Ų174135.5 Ų135.591%0.91178%0.781SS**  trans92.7127.1177.3-49.2177.3000113.5
382G34.3Very low35.2Very low72 Ų72138.2 Ų138.274%0.74279%0.786SS**  cis158162.88.400000108.5
383A37.2Very low35.2Very low95 Ų95136.8 Ų136.879%0.78578%0.784SS**  trans81.196.917000000117.6
384T34.3Very low35.2Very low128 Ų128137.4 Ų137.479%0.78579%0.786SS**  78114.772.4-51.40000113.9
385L39.1Very low35.3Very low171 Ų171137 Ų13790%0.89580%0.795SS**  trans-175121.6138.1-96.4170.3000110.1
386P34.7Very low35.4Very low106 Ų106131.8 Ų131.869%0.68879%0.788SS**  trans-113.1154.916736.5-25.3000111.8
387S36.9Very low35.6Very low126 Ų126133 Ų13388%0.88179%0.793SS**  trans-156.5129.8160.9-79.90000112.9
388T32.5Very low35.4Very low137 Ų137130.4 Ų130.484%0.8479%0.788SS**  trans-90.4179-176.835.90000113.5
389S38.2Very low35.8Very low102 Ų102129 Ų12971%0.71380%0.795SS**  trans108.4144.5159.1770000115.1
390N36.9Very low35.6Very low155 Ų155132.6 Ų132.683%0.82980%0.803SS**  cis-166.2155.2-10.3-107.5-8.7000108.1
391T33.4Very low35.9Very low122 Ų122136 Ų13675%0.74881%0.81SS**  trans-67.6151.1164.646.40000112.3
392N36.9Very low35.8Very low168 Ų168134.3 Ų134.390%0.89880%0.797SS**  trans-154.1139.3150.5-91.8-24.5000111.9
393T33.3Very low35.9Very low126 Ų126139.7 Ų139.777%0.77380%0.803SS**  trans-100.4177.1-178.441.40000112
394E37.2Very low35.7Very low186 Ų186141.2 Ų141.287%0.86980%0.802SS**  trans91.1136.2172.6-53.3-168.9163.300114.5
395S37.4Very low35.6Very low119 Ų119142.5 Ų142.583%0.83281%0.805SS**  cis-160.6173.939.157.50000113.9
396V37Very low35.4Very low123 Ų123142 Ų14275%0.74580%0.803SS**  trans-84.1141.5-163.8-179.80000113.6
397I37.8Very low35.3Very low173 Ų173140.1 Ų140.189%0.88780%0.802SS**  trans-145.6120143-59.7-174.6000110.4
398S31.3Very low35.4Very low96 Ų96139.8 Ų139.867%0.67180%0.8SS**  trans-83.7149.9170-60.20000112.2
399S38.3Very low35.3Very low129 Ų129140.7 Ų140.790%0.90280%0.8SS**  trans-168.4133.9137.4-83.50000112.5
400Q33.6Very low35.4Very low159 Ų159143.3 Ų143.374%0.74381%0.805SS**  trans-70.1155.4-180-71.9160.8-38.900113.3
401H37Very low35.3Very low188 Ų188142.4 Ų142.487%0.8780%0.8SS**  -159.1131.4124.2-118.6-87.4000112
402H34.3Very low35.3Very low139 Ų139143.1 Ų143.164%0.64480%0.799SS**  trans-77.7155.6174.6-68.4-103.6000111.4
403H36.4Very low35.4Very low186 Ų186142.7 Ų142.786%0.86180%0.797SS**  -175.8153.3124.5-91.715000112.6
404T33.1Very low35.4Very low126 Ų126144.8 Ų144.877%0.77380%0.804SS**  trans-120.7150.6-157.947.70000112.7
405N33.3Very low35.5Very low156 Ų156139.3 Ų139.383%0.83480%0.797SS**  trans68.6155.1141.9-108.4-3000124.5
406N34.8Very low35.3Very low161 Ų161141.8 Ų141.886%0.86180%0.795SS**  trans92.2130.8173.8-70.9-9.5000116.1
407G31.2Very low35.5Very low65 Ų65145.2 Ų145.267%0.6780%0.8SS**  cis130.2143.513.900000110.1
408S39.4Very low35.3Very low119 Ų119143.4 Ų143.483%0.83279%0.792SS**  trans90.3115.9-179.772.30000115.8
409N30.3Very low35.7Very low156 Ų156145.9 Ų145.983%0.83480%0.797SS**  cis79.4145.539.8-148.2-2000114.1
410L39.5Very low35.5Very low157 Ų157146.9 Ų146.982%0.82279%0.792SS**  trans106.9132.6-177.7-63.3142.9000113.5
411N36.2Very low35.6Very low136 Ų136142.4 Ų142.473%0.72779%0.789SS**  cis-169.1148.4-7.9-171.916.6000108.1
412N32.2Very low35.7Very low138 Ų138141.8 Ų141.874%0.73879%0.79SS**  trans-67.7158.4169.2-90.3-27.9000111.6
413N40.2Very low35.6Very low158 Ų158139.7 Ų139.785%0.84579%0.791SS**  trans-159.7126.6140.5-89.9-27.6000112.4
414N32.7Very low35.7Very low171 Ų171138.7 Ų138.791%0.91479%0.792SS**  trans-89.5157.1171.7-82.6-21.8000111.4
415G40.4Very low35.5Very low71 Ų71138.9 Ų138.973%0.73279%0.789SS**  trans-176.3111.715500000108.2
416H33.2Very low35.9Very low171 Ų171139.3 Ų139.379%0.79279%0.789SS**  67.2101.956.4-166.880.6000114.2
417F39.6Very low35.8Very low195 Ų195137.5 Ų137.586%0.85578%0.779SS**  trans-161.9129.7139.878.2-84.9000110.7
418D34.8Very low36.1Very low134 Ų134141 Ų14172%0.71778%0.783SS**  trans-96.2157.5167.7-78.4-61.8000109.8
419L39.3Very low36Very low149 Ų149143.8 Ų143.878%0.7878%0.782SS**  trans179125.2130.5-149.361.8000114.1
420D34.5Very low36Very low149 Ų149144.5 Ų144.580%0.79778%0.778SS**  trans28.5145.8141-49-30.9000121.7
421G35.2Very low36Very low65 Ų65141.5 Ų141.567%0.6777%0.768SS**  cis158.2174.61200000110
422I38.5Very low35.8Very low175 Ų175142.9 Ų142.990%0.89777%0.77SS**  trans105.3106.7159.6-52.9158.6000117.7
423S33Very low36Very low95 Ų95145 Ų14566%0.66478%0.776SS**  trans-54.8159.4167.1-47.10000115.9
424N37.6Very low35.8Very low165 Ų165146.1 Ų146.188%0.88277%0.774SS**  -176147109.8-84.1-26000113.2
425N30.4Very low35.8Very low131 Ų131146.1 Ų146.170%0.70177%0.768SS**  trans-106.3140.3-166.3174.3-1000109.9
426I40.5Very low35.8Very low164 Ų164150.7 Ų150.784%0.84177%0.77SS**  trans-141.8119.3159.5-61.4-176000109.9
427N32.4Very low35.7Very low123 Ų123150.6 Ų150.666%0.65877%0.77SS**  trans-70.4153.7164.6-87.2-30000111.8
428D37.5Very low35.5Very low140 Ų140146.5 Ų146.575%0.74977%0.766SS**  trans171.9114.2132.6-88.3-29.8000110.5
429H37.8Very low35.7Very low176 Ų176145.9 Ų145.982%0.81577%0.767SS**  88.8124.889.7-86.796000116.3
430F31.5Very low35.2Very low171 Ų171143.7 Ų143.775%0.7576%0.764SS**  trans-61.9-169.5176-150.3-128.3000113.4
431P38.9Very low35.3Very low94 Ų94146.3 Ų146.361%0.6177%0.769SS**  cis-133.7173.7-13.91.326.3000118
432Q32.3Very low35.4Very low165 Ų165151.8 Ų151.877%0.77178%0.777SS**  trans28133.9137.4-68.6175.1-5.800123.4
433Q36.4Very low35.3Very low182 Ų182151 Ų15185%0.8578%0.775SS**  -180123.6125.7-101.5176.610.500111.5
434F35.7Very low35.5Very low183 Ų183150.4 Ų150.480%0.80378%0.775SS**  178.5123.1124.9-121.4-99.1000112.5
435Q32.5Very low35.5Very low171 Ų171151.2 Ų151.280%0.79977%0.774SS**  trans-137.4128.5169.4176.3167.610.500108.1
436Q40.4Very low35.7Very low166 Ų166151.3 Ų151.378%0.77678%0.779SS**  trans-161.5108.7162.4-96.3175.352.900105.5
437Q31.5Very low35.4Very low170 Ų170148.7 Ų148.779%0.79478%0.775SS**  62.4133.974-84.8-168.117.500116.9
438S35.8Very low35.8Very low109 Ų109150.8 Ų150.876%0.76279%0.786SS**  trans106.3133.9165.9-47.30000114.1
439T37.5Very low35.6Very low121 Ų121149.9 Ų149.974%0.74279%0.786SS**  cis-170.9147.70.919.50000107.6
440S30.2Very low35.6Very low103 Ų103147.6 Ų147.672%0.7278%0.784SS**  trans-73.3142.7172.849.50000114.2
441F37Very low35.8Very low203 Ų203147.2 Ų147.289%0.8979%0.785SS**  trans-148.1118.7149.5-77-72.4000111.3
442Q36.4Very low35.9Very low181 Ų181152.3 Ų152.385%0.84680%0.8SS**  trans-93.4137.9157.5-74.3-179.4-13.200108.2
443N35.5Very low36.1Very low159 Ų159152.8 Ų152.885%0.8580%0.803SS**  172.9151.4124.8-105.1-18.1000115
444A38.3Very low36.2Very low81 Ų81153.5 Ų153.567%0.66981%0.806SS**  trans62.2109.5147.800000119.3
445Q36.7Very low36.2Very low182 Ų182153.1 Ų153.185%0.8581%0.807SS**  80.2118.279.3-86.9-176.9-1.500114.8
446T35.8Very low36.4Very low133 Ų133152.8 Ų152.882%0.81681%0.805SS**  trans161.7101.2135.240.60000108.4
447S33.8Very low36Very low109 Ų109152.6 Ų152.676%0.76280%0.804SS**  68.3117.284.1-54.10000114.6
448L39.7Very low36.4Very low168 Ų168150.2 Ų150.288%0.8879%0.793SS**  trans-177.1104.1143.1-91.3149000111.5
449T34.8Very low36.8Very low121 Ų121150.4 Ų150.474%0.74279%0.79SS**  trans33.5127.9136.919.40000120.3
450T37.4Very low36.9Very low127 Ų127152.1 Ų152.178%0.77980%0.8SS**  -172.515276.2-59.60000111.8
451E36.3Very low37.8Very low163 Ų163155.7 Ų155.776%0.76280%0.797SS**  trans-61143.4-169-62157.610200118.7
452Q39.6Very low38.5Very low202 Ų202155.3 Ų155.394%0.94480%0.795SS**  -159.8130.3129.7-108.417749.800110.9
453Q37.1Very low40Very low175 Ų175156.3 Ų156.382%0.81879%0.791SS**  trans-81.8130-172.4-69.7166.87.200112.3
454Q38.8Very low41.7Very low196 Ų196152.7 Ų152.792%0.91678%0.775SS**  trans-160.8126.4134.7-109.8163.26100110.2
455Q35.7Very low43Very low175 Ų175153.3 Ų153.382%0.81877%0.772SS**  trans-55.6154.4168.8-66.8148.8-18.800109.2
456E35.7Very low44.6Very low165 Ų165145.6 Ų145.677%0.77174%0.739SS**  cis-170.2161.735.5-147.3163.5144.500109.3
457Q33Very low46.6Very low161 Ų161143.9 Ų143.975%0.75273%0.726SS**  trans-47.9147.9179.3-65.3149.611.200114.9
458Q38.8Very low48.4Very low121 Ų121147 Ų14757%0.56573%0.726SS**  178.5112116.7-95.3149.520.600113.1R461Q458-R461 VanDerWaalsContact OE1-NH1 3.16Å
459T44.4Very low50Low112 Ų112141.2 Ų141.269%0.68770%0.695SS**  22.1123.6127.152.70000117.5R461T459-R461 PolarHBondContact O-N 3.49Å
460V39.5Very low52Low157 Ų157137.7 Ų137.795%0.95268%0.683SS**  trans-32.995.9164.8-1770000111.5
461R48.8Very low54Low179 Ų179140.4 Ų140.468%0.67569%0.687SS**  trans-88.9126.2174.9-81.9-177.2172.3170.1-1.4108.6Q458 T459 R463Q458-R461 VanDerWaalsContact OE1-NH1 3.16Å; T459-R461 PolarHBondContact O-N 3.49Å; R461-R463 PolarHBondContact O-N 3.26Å
462K52.4Low55.4Low195 Ų195138 Ų13885%0.84868%0.675SS**  trans-51.9119.8166.8-73.4175.6174.9177.40108T464K462-T464 PolarHBondContact O-N 3Å; K462-T464 PolarHBondContact O-OG1 3.41Å
463R67.6Low57.2Low202 Ų202131.8 Ų131.876%0.76265%0.646SS**  trans-51.8113.8171-87.6-178.3179164-0108.3R461R461-R463 PolarHBondContact O-N 3.26Å
464T70.6Confident58.9Low82 Ų82131.2 Ų131.250%0.50365%0.649SS.*  trans-85.4148.2174.2-53.60000107.1K462 A466 D467K462-T464 PolarHBondContact O-N 3Å; K462-T464 PolarHBondContact O-OG1 3.41Å; T464-A466 HydrophobicContact CG2-CB 4.16Å; T464-A466 PolarHBondContact O-N 3.33Å; T464-D467 WeakPolarHBondContact O-CB 3.34Å; T464-D467 PolarHBondContact O-N 3.19Å
465P66Low60.5Low94 Ų94128.4 Ų128.461%0.6164%0.639SS**G310 helixtrans-51.4-25.6177.6-28.935.4000114.1D467 F468P465-D467 PolarHBondContact O-N 2.92Å; P465-F468 PolarHBondContact O-N 2.91Å
466A70.8Confident62.1Low20 Ų20122.5 Ų122.517%0.16562%0.615CS.*G310 helixtrans-54.5-42169.500000113.8T464 F468 L469 Q473 L478T464-A466 HydrophobicContact CG2-CB 4.16Å; T464-A466 PolarHBondContact O-N 3.33Å; A466-F468 PolarHBondContact O-N 2.94Å; A466-F468 VanDerWaalsContact O-N 3.13Å; A466-L469 PolarHBondContact O-N 3.37Å; A466-Q473 PolarHBondContact O-NE2 3.24Å; A466-L478 HydrophobicContact CB-CD1 4.08Å
467D76.9Confident63.7Low98 Ų98120 Ų12052%0.52461%0.607SS.*G310 helixtrans-62.4-23.5-178.9-82-28.9000113.4T464 P465 L469T464-D467 WeakPolarHBondContact O-CB 3.34Å; T464-D467 PolarHBondContact O-N 3.19Å; P465-D467 PolarHBondContact O-N 2.92Å; D467-L469 PolarHBondContact O-N 2.89Å
468F73.1Confident65.5Low174 Ų174114.9 Ų114.976%0.76359%0.585SS**G310 helixtrans-70.6-21.9175.6-97.3-89.6000113P465 A466P465-F468 PolarHBondContact O-N 2.91Å; A466-F468 PolarHBondContact O-N 2.94Å; A466-F468 VanDerWaalsContact O-N 3.13Å
469L72.8Confident66.9Low47 Ų47117 Ų11725%0.24659%0.594CS.*G310 helixtrans-92.4-6-176.1-78.6160.1000113.5A466 D467 E471 H472 Q473 V476 L478A466-L469 PolarHBondContact O-N 3.37Å; D467-L469 PolarHBondContact O-N 2.89Å; L469-E471 PolarHBondContact O-N 3.28Å; L469-H472 CarbonylContact O-C 3.4Å; L469-H472 VanDerWaalsContact O-CA 3.29Å; L469-H472 WeakPolarHBondContact O-CA 3.49Å; L469-H472 VanDerWaalsContact O-CB 3.28Å; L469-H472 WeakPolarHBondContact O-CB 3.49Å; L469-H472 PolarHBondContact O-N 3.32Å; L469-Q473 HydrophobicContact CB-CB 4.46Å; L469-Q473 HydrophobicContact CB-CG 4.06Å; L469-V476 HydrophobicContact CD1-CB 4.02Å; L469-V476 HydrophobicContact CD1-CG1 4.35Å; L469-V476 HydrophobicContact CD1-CG2 4.32Å; L469-V476 HydrophobicContact CD2-CG2 4.08Å; L469-L478 HydrophobicContact CD1-CD1 4.05Å; L469-L478 HydrophobicContact CD1-CD2 4.08Å; L469-L478 HydrophobicContact CD1-CG 4.19Å
470G76.3Confident68Low46 Ų46119 Ų11947%0.47459%0.593SS.*G310 helixtrans52.2-128.3171.800000113.2H472 Q473G470-H472 PolarHBondContact O-N 3.24Å; G470-Q473 WeakPolarHBondContact O-CG 3.41Å
471E78.9Confident68.9Low185 Ų185117.7 Ų117.786%0.86458%0.581SS**G310 helixtrans-67-17.9172.6-82.6-170.3138.300114L469 Q473L469-E471 PolarHBondContact O-N 3.28Å; E471-Q473 VanDerWaalsContact C-N 3.32Å; E471-Q473 PolarHBondContact O-N 3.49Å
472H67.1Low69.6Low111 Ų111115.8 Ų115.851%0.51458%0.582SS.*G310 helixtrans-88.110.8-175-50.8-54.9000113.9L469 G470 N474 L475L469-H472 CarbonylContact O-C 3.4Å; L469-H472 VanDerWaalsContact O-CA 3.29Å; L469-H472 WeakPolarHBondContact O-CA 3.49Å; L469-H472 VanDerWaalsContact O-CB 3.28Å; L469-H472 WeakPolarHBondContact O-CB 3.49Å; L469-H472 PolarHBondContact O-N 3.32Å; G470-H472 PolarHBondContact O-N 3.24Å; H472-N474 PolarHBondContact O-N 2.57Å; H472-L475 HydrophobicContact CB-CD1 3.97Å; H472-L475 WeakPolarHBondContact O-CB 3.32Å; H472-L475 PolarHBondContact O-N 3.01Å
473Q75.9Confident69.7Low72 Ų72113.7 Ų113.734%0.33658%0.576SS.*G310 helixtrans-60.5-33.7178.2-37.6-155.3-0.900111.8A466 L469 G470 E471 L475 V476A466-Q473 PolarHBondContact O-NE2 3.24Å; L469-Q473 HydrophobicContact CB-CB 4.46Å; L469-Q473 HydrophobicContact CB-CG 4.06Å; G470-Q473 WeakPolarHBondContact O-CG 3.41Å; E471-Q473 VanDerWaalsContact C-N 3.32Å; E471-Q473 PolarHBondContact O-N 3.49Å; Q473-L475 PolarHBondContact O-N 3.39Å; Q473-V476 PolarHBondContact O-N 3.21Å; Q473-V476 VanDerWaalsContact O-O 3.13Å
474N73.1Confident68.8Low164 Ų164113.4 Ų113.488%0.87758%0.58SS**G310 helixtrans-71.5-9.9178.6-65.9-18.5000113.7H472H472-N474 PolarHBondContact O-N 2.57Å
475L73.3Confident67.4Low136 Ų136114.3 Ų114.371%0.71258%0.582SS**G310 helixtrans-91.6-12.5177.4-75153.7000112.6H472 Q473H472-L475 HydrophobicContact CB-CD1 3.97Å; H472-L475 WeakPolarHBondContact O-CB 3.32Å; H472-L475 PolarHBondContact O-N 3.01Å; Q473-L475 PolarHBondContact O-N 3.39Å
476V68.4Low66.8Low52 Ų52116.1 Ų116.132%0.31559%0.593SS.*SBendtrans-132.5104.3-176.1-174.20000109.2L469 Q473 L478 L481L469-V476 HydrophobicContact CD1-CB 4.02Å; L469-V476 HydrophobicContact CD1-CG1 4.35Å; L469-V476 HydrophobicContact CD1-CG2 4.32Å; L469-V476 HydrophobicContact CD2-CG2 4.08Å; Q473-V476 PolarHBondContact O-N 3.21Å; Q473-V476 VanDerWaalsContact O-O 3.13Å; V476-L478 VanDerWaalsContact C-N 3.28Å; V476-L478 PolarHBondContact O-N 3.29Å; V476-L481 HydrophobicContact CG1-CD1 3.88Å
477D70Confident66Low112 Ų112118.9 Ų118.960%0.59962%0.616SS**  trans-65.690.2168-93.8-21000109.4E479 K480D477-E479 PolarHBondContact O-N 3.48Å; D477-K480 HydrophobicContact CB-CB 4.13Å; D477-K480 HydrophobicContact CB-CD 4.47Å; D477-K480 HydrophobicContact CB-CG 4.3Å; D477-K480 PolarHBondContact O-N 3.38Å; D477-K480 VanDerWaalsContact O-N 3.14Å
478L70.3Confident64.9Low54 Ų54118.4 Ų118.428%0.28362%0.621SS.*Hα-helixtrans-60.5-28.1174-71.9161.4000111.5A466 L469 V476 K480 L481 I482A466-L478 HydrophobicContact CB-CD1 4.08Å; L469-L478 HydrophobicContact CD1-CD1 4.05Å; L469-L478 HydrophobicContact CD1-CD2 4.08Å; L469-L478 HydrophobicContact CD1-CG 4.19Å; V476-L478 VanDerWaalsContact C-N 3.28Å; V476-L478 PolarHBondContact O-N 3.29Å; L478-K480 VanDerWaalsContact C-N 3.34Å; L478-K480 PolarHBondContact O-N 2.7Å; L478-L481 WeakPolarHBondContact O-CB 3.01Å; L478-L481 PolarHBondContact O-N 3.48Å; L478-L481 VanDerWaalsContact O-N 3.13Å; L478-I482 WeakPolarHBondContact O-CG1 3.43Å; L478-I482 PolarHBondContact O-N 3.11Å
479E68.4Low63.8Low165 Ų165115.9 Ų115.977%0.77162%0.62SS**Hα-helixtrans-65.3-35175.1-81.9-167.1147.500112.7D477 L481 I482 E483D477-E479 PolarHBondContact O-N 3.48Å; E479-L481 PolarHBondContact O-N 3.17Å; E479-I482 PolarHBondContact O-N 3.31Å; E479-I482 VanDerWaalsContact O-N 3.14Å; E479-E483 PolarHBondContact O-N 3.13Å; E479-E483 VanDerWaalsContact O-N 3.08Å
480K67.1Low62.6Low153 Ų153118.6 Ų118.667%0.66563%0.634SS**Hα-helixtrans-70.5-19.5173.6-83.4-170.9172.9-167.80113.5D477 L478D477-K480 HydrophobicContact CB-CB 4.13Å; D477-K480 HydrophobicContact CB-CD 4.47Å; D477-K480 HydrophobicContact CB-CG 4.3Å; D477-K480 PolarHBondContact O-N 3.38Å; D477-K480 VanDerWaalsContact O-N 3.14Å; L478-K480 VanDerWaalsContact C-N 3.34Å; L478-K480 PolarHBondContact O-N 2.7Å
481L58.4Low61.7Low131 Ų131121.9 Ų121.969%0.68665%0.647SS**Hα-helixtrans-81.7-21.9172-86.4135000112.7V476 L478 E479V476-L481 HydrophobicContact CG1-CD1 3.88Å; L478-L481 WeakPolarHBondContact O-CB 3.01Å; L478-L481 PolarHBondContact O-N 3.48Å; L478-L481 VanDerWaalsContact O-N 3.13Å; E479-L481 PolarHBondContact O-N 3.17Å
482I64.1Low60.6Low138 Ų138122 Ų12271%0.70865%0.645SS**Hα-helixtrans-91.2-18.4177.9-62.4163.4000111.2L478 E479 K484L478-I482 WeakPolarHBondContact O-CG1 3.43Å; L478-I482 PolarHBondContact O-N 3.11Å; E479-I482 PolarHBondContact O-N 3.31Å; E479-I482 VanDerWaalsContact O-N 3.14Å; I482-K484 PolarHBondContact O-N 2.98Å
483E54.2Low59.8Low152 Ų152121.3 Ų121.371%0.7165%0.649SS**SBendtrans-64.4109.5174.1-154.7168.2-15600110.1E479 N485E479-E483 PolarHBondContact O-N 3.13Å; E479-E483 VanDerWaalsContact O-N 3.08Å; E483-N485 VanDerWaalsContact C-N 3.29Å; E483-N485 PolarHBondContact O-N 3.42Å
484K48.6Very low58.3Low195 Ų195124.3 Ų124.385%0.84867%0.672SS**  trans-54.686.8-178.1-176.1170.1178.8166.90110.1I482 P486I482-K484 PolarHBondContact O-N 2.98Å; K484-P486 WeakPolarHBondContact O-CD 3.45Å
485N41.8Very low56.7Low101 Ų101119.6 Ų119.654%0.5466%0.663SS.*  trans-65.5113.9171.4-172-16.2000107.8E483 A487E483-N485 VanDerWaalsContact C-N 3.29Å; E483-N485 PolarHBondContact O-N 3.42Å; N485-A487 PolarHBondContact O-N 2.85Å; N485-A487 WeakPolarHBondContact OD1-CB 3.36Å; N485-A487 PolarHBondContact OD1-N 3.46Å; N485-A487 VanDerWaalsContact OD1-N 3.07Å
486P53.2Low55.3Low132 Ų132119.1 Ų119.186%0.85767%0.67SS**THydrogen-bonded Turntrans-69.45.5179.429.1-33.4000113.6K484K484-P486 WeakPolarHBondContact O-CD 3.45Å
487A53.6Low54.1Low78 Ų78125.9 Ų125.965%0.64570%0.695SS**THydrogen-bonded Turntrans-118.51.8-175.100000116.1N485 T489N485-A487 PolarHBondContact O-N 2.85Å; N485-A487 WeakPolarHBondContact OD1-CB 3.36Å; N485-A487 PolarHBondContact OD1-N 3.46Å; N485-A487 VanDerWaalsContact OD1-N 3.07Å; A487-T489 PolarHBondContact O-N 3.2Å
488S53.6Low52.3Low89 Ų89126.7 Ų126.762%0.62271%0.71SS**  trans-94.678.9175.261.40000111.9N490S488-N490 PolarHBondContact O-N 3.37Å
489T51Low51Low121 Ų121130.2 Ų130.274%0.74273%0.733SS**  trans-71.5109.4167.6-57.10000109.1A487A487-T489 PolarHBondContact O-N 3.2Å
490N46.5Very low49.6Very low103 Ų103129.2 Ų129.255%0.55174%0.739SS**  trans-55.7125163.8-72.9-42.9000108.7S488 F492 T493S488-N490 PolarHBondContact O-N 3.37Å; N490-F492 PolarHBondContact O-N 3.1Å; N490-T493 HydrophobicContact CB-CG2 4.14Å; N490-T493 PolarHBondContact O-N 3.17Å; N490-T493 PolarHBondContact O-OG1 3.08Å
491P58Low48.3Very low115 Ų115125 Ų12575%0.74774%0.739SS**THydrogen-bonded Turntrans-68.2-2.7-179.426.8-33.3000113.5
492F56.4Low47.4Very low188 Ų188124 Ų12483%0.82575%0.75SS**THydrogen-bonded Turntrans-106.1-5.4-176.5-63.1-73000114.4N490 V494N490-F492 PolarHBondContact O-N 3.1Å; F492-V494 PolarHBondContact O-N 3.07Å
493T50.6Low46.5Very low96 Ų96122.3 Ų122.359%0.58976%0.756SS**  trans-99.392.3179.656.10000110.7N490 G495N490-T493 HydrophobicContact CB-CG2 4.14Å; N490-T493 PolarHBondContact O-N 3.17Å; N490-T493 PolarHBondContact O-OG1 3.08Å; T493-G495 VanDerWaalsContact C-N 3.3Å; T493-G495 PolarHBondContact O-N 3.2Å
494V43.4Very low46Very low135 Ų135120.7 Ų120.782%0.81876%0.76SS**  trans-74.683.7166-920000109.2F492F492-V494 PolarHBondContact O-N 3.07Å
495G39.6Very low45.9Very low66 Ų66115.7 Ų115.768%0.6874%0.743SS**  trans-104.4119165.500000109.4T493 K497T493-G495 VanDerWaalsContact C-N 3.3Å; T493-G495 PolarHBondContact O-N 3.2Å; G495-K497 PolarHBondContact O-N 3.01Å
496S43.4Very low46.8Very low125 Ų125116.4 Ų116.487%0.87475%0.753SS**  trans-62.291.1-179.938.70000112.4
497K42.9Very low46.7Very low194 Ų194118.8 Ų118.884%0.84375%0.75SS**  trans-139.6109.9157.1-68.2-169.4179.9177.80109.9G495 V499G495-K497 PolarHBondContact O-N 3.01Å; K497-V499 PolarHBondContact O-N 3.16Å; K497-V499 VanDerWaalsContact O-N 3.17Å
498S33.2Very low46.9Very low129 Ų129120.4 Ų120.490%0.90275%0.747SS**  trans-56.5108.6171.5-50.70000110.6
499V42.4Very low46.7Very low128 Ų128121.8 Ų121.878%0.77675%0.754SS**  trans-140.4123.4155-177.70000107.5K497 G501K497-V499 PolarHBondContact O-N 3.16Å; K497-V499 VanDerWaalsContact O-N 3.17Å; V499-G501 PolarHBondContact O-N 3.03Å
500T39.4Very low46.2Very low144 Ų144124.2 Ų124.288%0.88376%0.762SS**  trans-49.5115.7174.445.60000112
501G40.6Very low46.2Very low66 Ų66127 Ų12768%0.6877%0.772SS**  trans178.9112.3172.500000109.8V499 A503V499-G501 PolarHBondContact O-N 3.03Å; G501-A503 PolarHBondContact O-N 3.46Å
502A39.3Very low45.7Very low110 Ų110126.6 Ų126.691%0.90977%0.772SS**  trans-65.595.6-177.700000111C504A502-C504 PolarHBondContact O-N 3.11Å
503A44.3Very low45.5Very low102 Ų102126 Ų12684%0.84378%0.777SS**  trans-80.693.216700000108.8G501G501-A503 PolarHBondContact O-N 3.46Å
504C44.3Very low45.7Very low117 Ų117129.9 Ų129.979%0.79179%0.785SS**  trans-73.2127.6170.8-171.80000109.2A502A502-C504 PolarHBondContact O-N 3.11Å
505N46.5Very low46.5Very low91 Ų91127 Ų12749%0.48777%0.769SS.*  trans-72.4121.3178.9-166.7-13.9000109.8F507 I508N505-F507 PolarHBondContact O-N 3.04Å; N505-F507 VanDerWaalsContact O-N 3.1Å; N505-I508 PolarHBondContact O-N 2.79Å
506P61.1Low47.6Very low115 Ų115127.3 Ų127.375%0.74776%0.761SS**THydrogen-bonded Turntrans-70-6.4-175.428-35.1000114.2
507F51.6Low48.3Very low182 Ų182128.5 Ų128.580%0.79876%0.757SS**THydrogen-bonded Turntrans-91.97.9-178.9-66.8-74.4000114.8N505N505-F507 PolarHBondContact O-N 3.04Å; N505-F507 VanDerWaalsContact O-N 3.1Å
508I56.8Low49.3Very low112 Ų112126.2 Ų126.257%0.57475%0.754SS**SBendtrans-115.1105176-52.4177.3000108.7N505 N510N505-I508 PolarHBondContact O-N 2.79Å; I508-N510 PolarHBondContact O-N 3.32Å; I508-N510 VanDerWaalsContact O-N 3.16Å
509P49.3Very low50.9Low119 Ų119127 Ų12777%0.77374%0.743SS**  trans-67.3116.117125.9-29000109
510N40.2Very low51.9Low172 Ų172126.5 Ų126.592%0.9274%0.736SS**  trans31.288.9160.2-87.8-17.6000116I508I508-N510 PolarHBondContact O-N 3.32Å; I508-N510 VanDerWaalsContact O-N 3.16Å
511Q47.5Very low52.7Low160 Ų160123 Ų12375%0.74872%0.721SS**  trans-107.7121.7153.1-152.917687.700108.2L513Q511-L513 PolarHBondContact O-N 3.31Å
512S46.9Very low53.6Low108 Ų108125.9 Ų125.976%0.75573%0.728SS**  trans-54.3131.9174.337.80000110.4K514S512-K514 PolarHBondContact O-N 3.12Å
513L51.5Low54.4Low176 Ų176127 Ų12792%0.92172%0.723SS**  trans-52.3113.2173.1-82.6140.5000109.3Q511Q511-L513 PolarHBondContact O-N 3.31Å
514K56.4Low54.9Low176 Ų176128 Ų12877%0.76572%0.722SS**PPolyproline II helixtrans-66.6130.1164.2-76.8174.6179.6167.90107.7S512 S516S512-K514 PolarHBondContact O-N 3.12Å; K514-S516 PolarHBondContact O-N 3.4Å
515P59.3Low55.1Low74 Ų74127 Ų12748%0.48172%0.721SS.*PPolyproline II helixtrans-59.1135175.123.6-31.2000109.6Q519P515-Q519 HydrophobicContact CB-CB 3.97Å
516S62.5Low55.5Low74 Ų74128.4 Ų128.452%0.51774%0.736SS.*PPolyproline II helixtrans-65.4155.2173.772.60000110.3K514 N518 Q519K514-S516 PolarHBondContact O-N 3.4Å; S516-N518 PolarHBondContact O-N 3.15Å; S516-Q519 WeakPolarHBondContact O-CB 3.45Å; S516-Q519 PolarHBondContact O-N 3.2Å
517L58.1Low54.7Low149 Ų149131.2 Ų131.278%0.7874%0.743SS**G310 helixtrans-51.5-30.6-176.8-166.883.1000113.7Q519 L520L517-Q519 VanDerWaalsContact C-N 3.28Å; L517-Q519 PolarHBondContact O-N 3.17Å; L517-L520 PolarHBondContact O-N 2.95Å
518N65.2Low54.8Low146 Ų146128.5 Ų128.578%0.78174%0.744SS**G310 helixtrans-74.4-13.9177.3-73.1-13.9000114S516S516-N518 PolarHBondContact O-N 3.15Å
519Q66.2Low54.1Low145 Ų145126.5 Ų126.568%0.67875%0.751SS**G310 helixtrans-88.3-7.7171.2-94167.9-5.600113.4P515 S516 L517 A521P515-Q519 HydrophobicContact CB-CB 3.97Å; S516-Q519 WeakPolarHBondContact O-CB 3.45Å; S516-Q519 PolarHBondContact O-N 3.2Å; L517-Q519 VanDerWaalsContact C-N 3.28Å; L517-Q519 PolarHBondContact O-N 3.17Å; Q519-A521 VanDerWaalsContact C-N 3.35Å
520L62.1Low53.8Low119 Ų119126 Ų12662%0.62375%0.748SS**  trans-91.39.3177.4-70.4169.8000113.5L517L517-L520 PolarHBondContact O-N 2.95Å
521A56.3Low54Low69 Ų69124.7 Ų124.757%0.5775%0.746SS**PPolyproline II helixtrans-79.5128.1176.700000111.3Q519 T523Q519-A521 VanDerWaalsContact C-N 3.35Å; A521-T523 PolarHBondContact O-N 3.3Å
522P61.2Low53.6Low128 Ų128126.6 Ų126.683%0.83175%0.748SS**PPolyproline II helixtrans-73.5120.2-179.328.8-30.7000110
523T55.5Low53.2Low132 Ų132129.3 Ų129.381%0.8175%0.753SS**PPolyproline II helixtrans-94.8138.5165.433.30000109.7A521A521-T523 PolarHBondContact O-N 3.3Å
524P55.4Low52.5Low125 Ų125127.2 Ų127.281%0.81274%0.743SS**PPolyproline II helixtrans-75.4133.9-17228.6-32.7000112.1
525A48.3Very low51.7Low94 Ų94124 Ų12478%0.77774%0.739SS**PPolyproline II helixtrans-76.2140.5176.500000112.1
526P54.5Low51.2Low121 Ų121125.9 Ų125.979%0.78675%0.749SS**PPolyproline II helixtrans-87.9132.4165.325.8-16000111.4
527L43.8Very low50.1Low174 Ų174129.2 Ų129.291%0.91176%0.761SS**PPolyproline II helixtrans-74147.5175.7-62.5165.5000111.8
528P53.2Low49.5Very low125 Ų125129.6 Ų129.681%0.81276%0.763SS**  trans-119130.5147.416.62.8000111.4
529G43Very low48.9Very low70 Ų70127.5 Ų127.572%0.72276%0.758SS**  trans-72.9170.9178.700000114.6
530P42.1Very low47.9Very low110 Ų110126.9 Ų126.971%0.71476%0.756SS**  trans-94.6147.4-167.636.2-31.2000113
531T44Very low47.1Very low143 Ų143129.3 Ų129.388%0.87776%0.762SS**  trans-135.3139.5163.735.90000111.2
532Y39.6Very low46.6Very low200 Ų200135.5 Ų135.578%0.78477%0.772SS**  trans-87.8173.5-166.7-64.1-100.4000113.7
533L40Very low45.5Very low165 Ų165137.3 Ų137.386%0.86477%0.77SS**  trans84.7140.1160.1-56.8146.8000114.6
534N35.8Very low45.1Very low133 Ų133138.1 Ų138.171%0.71177%0.774SS**  cis-163.3134.313.4-164.914.1000110
535T40.3Very low44.6Very low109 Ų109142.5 Ų142.567%0.66978%0.775SS**  trans19.5128.7136.8-44.60000121.3
536T47.3Very low44.7Very low113 Ų113142.4 Ų142.469%0.69377%0.766SS**  -175.5135.5110.45.80000115.2
537N41.3Very low44.3Very low144 Ų144147.5 Ų147.577%0.7777%0.771SS**  trans69.8133.4148.2-57.3-22.8000119.3
538N43.7Very low44.3Very low156 Ų156149.3 Ų149.383%0.83477%0.767SS**  cis-161.4162.19.2-146.619.4000108.9
539P53.1Low44.2Very low103 Ų103148.9 Ų148.967%0.66977%0.765SS**  trans-112.2-175.9-154.742.6-37000116.5
540M44.5Very low44.3Very low131 Ų131149.7 Ų149.765%0.64576%0.764SS**  trans115102.9150.8-73.7-81.4-81.800117.3Y542M540-Y542 HydrophobicContact CE-CE2 4.43Å
541F45.8Very low44.4Very low171 Ų171150.7 Ų150.775%0.7577%0.774SS**  -179.7117.3100.1-110.5-95000112
542Y47Very low44.6Very low199 Ų199148 Ų14878%0.7877%0.774SS**  trans47.6126.2148-73.1-97.7000124.1M540M540-Y542 HydrophobicContact CE-CE2 4.43Å
543Q38Very low44.6Very low165 Ų165143.8 Ų143.877%0.77177%0.774SS**  trans-86.8155.5166.8-59.2-151.90.900112.9
544V46.4Very low44.9Very low150 Ų150142.6 Ų142.691%0.90977%0.774SS**  -147.5129.5128.6-174.60000108.4
545R44.5Very low45.2Very low217 Ų217140.3 Ų140.382%0.81977%0.773SS**  trans-132.5-180176.6-140.4-160.8-174.1-148.23.1107.9
546P51.7Low45.3Very low91 Ų91141.8 Ų141.859%0.59178%0.782SS**  -118-174.7-107.640.6-23.2000113.5
547Y44.7Very low45.1Very low229 Ų229140.8 Ų140.890%0.89879%0.785SS**  trans-135.3126.3163.5-112.5-92.1000111.1
548Y44.6Very low44.8Very low211 Ų211142.3 Ų142.383%0.82779%0.787SS**  trans-105.8158158.3-89.9-86.2000107.4
549P52.1Low45.4Very low117 Ų117140.1 Ų140.176%0.7678%0.782SS**  -150.3143.394.932-10.3000114.2
550A43.9Very low44.9Very low86 Ų86141 Ų14171%0.71178%0.781SS**  68.412596.700000116.9
551S45.3Very low45.1Very low132 Ų132145.7 Ų145.792%0.92379%0.793SS**  trans156.4138.4130.6-69.10000112.8
552G46.5Very low44.8Very low85 Ų85145.1 Ų145.188%0.87680%0.795SS**  trans130.492152.400000117
553S41.1Very low44.9Very low112 Ų112141.4 Ų141.478%0.78379%0.793SS**  trans-113.2137-179.240.40000112.2
554V45.9Very low45.1Very low141 Ų141139 Ų13986%0.85579%0.791SS**  trans-160.6109.4157.2-175.40000106.2
555A41.9Very low45.1Very low84 Ų84139.1 Ų139.169%0.69479%0.785SS**  80.4131.261.600000115.7
556T42.2Very low45Very low141 Ų141136.2 Ų136.287%0.86579%0.786SS**  trans90.4129159.8-39.60000115.4
557A43.5Very low44.6Very low91 Ų91137.9 Ų137.975%0.75280%0.795SS**  cis-161.2153.82.400000109.9
558Q34.9Very low44.4Very low176 Ų176131.3 Ų131.382%0.82279%0.787SS**  trans-106.4163.5159.3-76.8-124-30.400109.6
559P55.9Low44.3Very low110 Ų110126.3 Ų126.371%0.71478%0.783SS**  -135.8141.3126.534-20.5000114.9
560N42.9Very low43.9Very low123 Ų123125.2 Ų125.266%0.65878%0.784SS**  trans-41.6149160.5-83.5-21.3000115
561Y48Very low43.6Very low228 Ų228133.1 Ų133.189%0.89480%0.796SS**  -141126.6128.1-71-74.5000110.8
562M40.5Very low43.4Very low159 Ų159131.8 Ų131.878%0.78379%0.786SS**  trans-66161168.7-61.717162.400110
563V48.4Very low43.1Very low122 Ų122134 Ų13474%0.73978%0.783SS**  -177.5145.675.6171.10000108.3
564P42.8Very low43.1Very low114 Ų114136.8 Ų136.874%0.7479%0.787SS**  trans-100.1149.8170.136.6-28000112.7
565I46.3Very low42.7Very low152 Ų152137.1 Ų137.178%0.77978%0.784SS**  trans-132122.5163-78.6-179.6000110.3T567I565-T567 HydrophobicContact CG2-CG2 4.04Å
566N41.8Very low42.8Very low157 Ų157136.5 Ų136.584%0.8479%0.785SS**  trans-88.6131.3167.3-163.25.1000107.2
567T43.2Very low42.8Very low126 Ų126135.8 Ų135.877%0.77379%0.786SS**  trans-133105.9164.240.80000109.7I565I565-T567 HydrophobicContact CG2-CG2 4.04Å
568A41.7Very low42.9Very low90 Ų90134.5 Ų134.574%0.74478%0.782SS**  trans-86138.8158.400000108.8
569S41.3Very low43.2Very low106 Ų106133.8 Ų133.874%0.74178%0.784SS**  trans-163.494.4160.4-69.40000105.3
570A43.2Very low42.6Very low94 Ų94134.7 Ų134.778%0.77778%0.783SS**  50.794.975.500000112.6
571W38.6Very low42.7Very low253 Ų253135.5 Ų135.596%0.95878%0.784SS**  trans-127.4128.8146.1-75.987.4000108.5
572S41Very low42.6Very low104 Ų104131.9 Ų131.973%0.72778%0.777SS**  trans-97.4144.9-162.530.90000112
573V39.2Very low42.8Very low132 Ų132131.3 Ų131.380%0.877%0.773SS**  trans-3.6126.4143.6-179.20000115.7
574I42.6Very low42.4Very low170 Ų170133.8 Ų133.887%0.87278%0.776SS**  trans-136.7115.8139.6-91.8153.8000107.2
575D37.8Very low42.5Very low148 Ų148137.5 Ų137.579%0.79178%0.783SS**  trans-92144.5164.2-164.6-2.9000107.2
576G43.7Very low42.2Very low70 Ų70138.9 Ų138.972%0.72279%0.787SS**  trans-162.872.6-167.500000112.4
577S41.7Very low42.5Very low126 Ų126137.7 Ų137.788%0.88179%0.785SS**  trans-52.1140.9167.8-99.70000113.7
578G44.7Very low42.5Very low65 Ų65136.8 Ų136.867%0.6778%0.784SS**  trans-175.293165.600000112.8
579N42.2Very low42.8Very low161 Ų161137.5 Ų137.586%0.86178%0.783SS**  29.8144.9127.3-70.8-11000118.7
580N43.5Very low43.5Very low128 Ų128139.8 Ų139.868%0.68479%0.787SS**  cis178.3156.2-7.2-155.8-7.6000103.5
581M44.7Very low43.6Very low141 Ų141142.2 Ų142.270%0.69579%0.786SS**  trans67.9109.6146.4-77.2163.488.400121.9
582M46.3Very low45.1Very low152 Ų152135.8 Ų135.875%0.74978%0.778SS**  87.7141.8112.6-126.6169.9178.300120.7
583H43.3Very low45.9Very low147 Ų147140 Ų14068%0.68178%0.783SS**  trans91.985.4160.8-76.786.8000120.6
584Q40.9Very low46.5Very low174 Ų174148 Ų14881%0.81380%0.801SS**  11119.6114.8-168.2176.677.600118
585Q44.5Very low46.7Very low191 Ų191146.9 Ų146.989%0.89380%0.797SS**  -169.6145.6129.5-106.7170.238.200113.3
586Q40.4Very low47.1Very low181 Ų181146.8 Ų146.885%0.84680%0.798SS**  trans-75.6147-177.9-66.6162.4-12.800112.6
587T47.6Very low47.3Very low133 Ų133151.1 Ų151.182%0.81680%0.802SS**  trans-167.8107.8139.649.20000107.4
588S44.8Very low47.7Very low106 Ų106152.5 Ų152.574%0.74180%0.797SS**  74.2114.283.5-57.70000115.4
589S47.5Very low47.9Very low105 Ų105158 Ų15873%0.73481%0.805SS**  trans66.5125.5144.874.10000120
590L54.7Low48.2Very low154 Ų154157.8 Ų157.881%0.80680%0.801SS**  174.6125.586.4-140.872.1000109.7
591N47.1Very low48.6Very low145 Ų145159.9 Ų159.978%0.77581%0.81SS**  trans-79.8150.8156.8-97.3-16.4000108.5
592P69.7Low48.9Very low119 Ų119161.4 Ų161.477%0.77382%0.819SS**  trans-133.7128.8135.232-17.3000111.8
593F56.2Low49.1Very low192 Ų192162.2 Ų162.284%0.84282%0.824SS**  trans-57.8132.4159.3-86.3-98.3000110
594Y52.4Low49.6Very low299 Ų299163.5 Ų163.5100%1.17384%0.837SS**  trans-147.50139.8-121.3-79.4000109.1

Retrieved 594 of 594 residues in 575.4 ms (Link to these results)

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