A0A077ZH06_TRITR Loading...

Phosphorylase b kinase regulatory subunit

Phosphorylase b kinase catalyzes the phosphorylation of serine in certain substrates, including troponin I.

AlphaFold DB , UniProt , Accession A0A077ZH06, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 435 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.1Low80.2Confident89 Ų8964.2 Ų64.244%0.43835%0.351SS..  0-49.50-100.6-74133.700112.5I3 P62 L65M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.14Å; M1-P62 HydrophobicContact CE-CB 4.01Å; M1-P62 HydrophobicContact CE-CG 3.02Å; M1-P62 HydrophobicContact CG-CB 3.86Å; M1-P62 HydrophobicContact CG-CG 3.87Å; M1-P62 HydrophobicContact SD-CB 3.56Å; M1-P62 VanDerWaalsContact SD-CB 3.56Å; M1-P62 HydrophobicContact SD-CG 3.26Å; M1-P62 WeakPolarHBondContact SD-CG 3.23Å; M1-L65 HydrophobicContact CE-CB 4.32Å; M1-L65 HydrophobicContact CE-CD2 4.39Å; M1-L65 HydrophobicContact SD-CB 4.18Å
2S69.8Low80.7Confident83 Ų8360.4 Ų60.458%0.5833%0.33SS*.Hα-helixtrans-54.8-44.8173.3490000112.9L4 I5 D6S2-L4 PolarHBondContact O-N 3.11Å; S2-I5 PolarHBondContact O-N 3.27Å; S2-I5 VanDerWaalsContact O-N 3.11Å; S2-D6 WeakPolarHBondContact O-CB 3.49Å; S2-D6 VanDerWaalsContact O-CG 3.24Å; S2-D6 PolarHBondContact O-N 2.89Å
3I79Confident81.2Confident121 Ų12162 Ų6262%0.62134%0.337SS*.Hα-helixtrans-54.1-44.4-175.4-165.763.6000113.9M1 I5 D6 T7M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.14Å; I3-I5 PolarHBondContact O-N 3.14Å; I3-D6 PolarHBondContact O-N 3.29Å; I3-T7 WeakPolarHBondContact O-CB 3.38Å; I3-T7 PolarHBondContact O-N 3.49Å; I3-T7 PolarHBondContact O-OG1 3.21Å
4L78.7Confident81.8Confident17 Ų1768.4 Ų68.49%0.08936%0.355CS..Hα-helixtrans-66.6-42.4-178.5-173.5159.1000111.4S2 D6 L8 L29 M35 L65S2-L4 PolarHBondContact O-N 3.11Å; L4-D6 VanDerWaalsContact C-N 3.34Å; L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 PolarHBondContact O-N 3.22Å; L4-L29 HydrophobicContact CD2-CD2 4.37Å; L4-M35 HydrophobicContact CD1-CB 4.05Å; L4-M35 HydrophobicContact CD1-CE 3.3Å; L4-M35 HydrophobicContact CD1-CG 4.49Å; L4-M35 HydrophobicContact CD1-SD 4.13Å; L4-M35 HydrophobicContact CG-CE 4.04Å; L4-L65 HydrophobicContact CD2-CD1 3.87Å
5I82.3Confident82.1Confident22 Ų2265.9 Ų65.911%0.11334%0.344CS..Hα-helixtrans-67.3-40.4178-63.2170.8000109.7S2 I3 L8 K9 G64 A68S2-I5 PolarHBondContact O-N 3.27Å; S2-I5 VanDerWaalsContact O-N 3.11Å; I3-I5 PolarHBondContact O-N 3.14Å; I5-L8 PolarHBondContact O-N 2.9Å; I5-K9 HydrophobicContact CG2-CD 4.23Å; I5-K9 HydrophobicContact CG2-CG 4.47Å; I5-K9 WeakPolarHBondContact O-CG 3.47Å; I5-K9 PolarHBondContact O-N 2.92Å; I5-G64 VanDerWaalsContact CD1-C 3.45Å; I5-G64 WeakPolarHBondContact CD1-O 3.44Å; I5-A68 HydrophobicContact CD1-CB 4.34Å; I5-A68 HydrophobicContact CG1-CB 4.2Å; I5-A68 HydrophobicContact CG2-CB 4.25Å
6D84Confident82.3Confident76 Ų7669.4 Ų69.441%0.40636%0.356SS..Hα-helixtrans-71.4-39.3-179.2-64.5-27.5000111.5S2 I3 L4 K9 S10S2-D6 WeakPolarHBondContact O-CB 3.49Å; S2-D6 VanDerWaalsContact O-CG 3.24Å; S2-D6 PolarHBondContact O-N 2.89Å; I3-D6 PolarHBondContact O-N 3.29Å; L4-D6 VanDerWaalsContact C-N 3.34Å; D6-K9 PolarHBondContact O-N 2.91Å; D6-K9 IonicContact OD1-NZ 2.99Å; D6-K9 PolarHBondContact OD1-NZ 3.44Å; D6-S10 WeakPolarHBondContact O-CB 3.42Å; D6-S10 PolarHBondContact O-N 3.06Å; D6-S10 PolarHBondContact O-OG 3.17Å
7T84.4Confident82.5Confident63 Ų6370.5 Ų70.539%0.38738%0.378SS..Hα-helixtrans-58.9-47.3168-55.80000110.6I3 K9 S10 E11I3-T7 WeakPolarHBondContact O-CB 3.38Å; I3-T7 PolarHBondContact O-N 3.49Å; I3-T7 PolarHBondContact O-OG1 3.21Å; T7-K9 VanDerWaalsContact C-N 3.3Å; T7-K9 PolarHBondContact O-N 3.23Å; T7-S10 WeakPolarHBondContact CA-OG 3.44Å; T7-S10 PolarHBondContact O-N 3.49Å; T7-S10 PolarHBondContact O-OG 3.18Å; T7-E11 HydrophobicContact CG2-CG 4.2Å; T7-E11 WeakPolarHBondContact O-CB 3.45Å; T7-E11 VanDerWaalsContact O-CG 3.26Å; T7-E11 WeakPolarHBondContact O-CG 3.32Å; T7-E11 PolarHBondContact O-N 3.28Å
8L84Confident82.7Confident13 Ų1370 Ų707%0.06838%0.381CS..Hα-helixtrans-60.2-41.4178.2179.359.9000112.3L4 I5 L12 L29 I72 L77L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 PolarHBondContact O-N 3.22Å; I5-L8 PolarHBondContact O-N 2.9Å; L8-L12 HydrophobicContact CD1-CD1 4.14Å; L8-L12 HydrophobicContact CD1-CG 4.26Å; L8-L12 HydrophobicContact CG-CD1 4.19Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 VanDerWaalsContact O-CG 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.09Å; L8-L12 PolarHBondContact O-N 3.01Å; L8-L29 HydrophobicContact CD1-CD1 4.45Å; L8-L29 HydrophobicContact CD1-CD2 4.07Å; L8-L29 HydrophobicContact CD2-CD2 4.08Å; L8-I72 HydrophobicContact CD2-CD1 3.59Å; L8-L77 HydrophobicContact CD2-CD2 4.01Å; L8-L77 HydrophobicContact CG-CD2 4.1Å
9K86.4Confident82.6Confident68 Ų6872.8 Ų72.830%0.29639%0.385SS..Hα-helixtrans-66.7-42.9176.5-69.4172-177.7160.70111.6I5 D6 T7 L12 L13 S78I5-K9 HydrophobicContact CG2-CD 4.23Å; I5-K9 HydrophobicContact CG2-CG 4.47Å; I5-K9 WeakPolarHBondContact O-CG 3.47Å; I5-K9 PolarHBondContact O-N 2.92Å; D6-K9 PolarHBondContact O-N 2.91Å; D6-K9 IonicContact OD1-NZ 2.99Å; D6-K9 PolarHBondContact OD1-NZ 3.44Å; T7-K9 VanDerWaalsContact C-N 3.3Å; T7-K9 PolarHBondContact O-N 3.23Å; K9-L12 PolarHBondContact O-N 3.43Å; K9-L13 WeakPolarHBondContact O-CB 3.36Å; K9-L13 VanDerWaalsContact O-CG 3.31Å; K9-L13 WeakPolarHBondContact O-CG 3.46Å; K9-L13 PolarHBondContact O-N 3.06Å; K9-S78 WeakPolarHBondContact CD-OG 3.2Å; K9-S78 VanDerWaalsContact CG-OG 3.23Å; K9-S78 WeakPolarHBondContact CG-OG 3.4Å
10S87.5Confident82.3Confident61 Ų6176.4 Ų76.443%0.42740%0.404SS..Hα-helixtrans-64.7-43.7179.2640000111.2D6 T7 L13 Y14D6-S10 WeakPolarHBondContact O-CB 3.42Å; D6-S10 PolarHBondContact O-N 3.06Å; D6-S10 PolarHBondContact O-OG 3.17Å; T7-S10 WeakPolarHBondContact CA-OG 3.44Å; T7-S10 PolarHBondContact O-N 3.49Å; T7-S10 PolarHBondContact O-OG 3.18Å; S10-L13 PolarHBondContact O-N 3.1Å; S10-Y14 WeakPolarHBondContact O-CB 3.46Å; S10-Y14 PolarHBondContact O-N 3.46Å
11E86.6Confident81.7Confident93 Ų9376.3 Ų76.344%0.43541%0.407SS..Hα-helixtrans-62-45176.1-68.5-52.3136.400111.7T7 L13 Y14 V15T7-E11 HydrophobicContact CG2-CG 4.2Å; T7-E11 WeakPolarHBondContact O-CB 3.45Å; T7-E11 VanDerWaalsContact O-CG 3.26Å; T7-E11 WeakPolarHBondContact O-CG 3.32Å; T7-E11 PolarHBondContact O-N 3.28Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 3.01Å; E11-Y14 PolarHBondContact O-N 3.25Å; E11-V15 WeakPolarHBondContact O-CB 3.32Å; E11-V15 VanDerWaalsContact O-CG2 3.29Å; E11-V15 WeakPolarHBondContact O-CG2 3.46Å; E11-V15 PolarHBondContact O-N 3.08Å
12L87.1Confident82Confident19 Ų1975.1 Ų75.110%0.09941%0.406CS..Hα-helixtrans-66.7-33.8177.9-73.2174.7000113.2L8 K9 K16 V27 L77 T80 T82L8-L12 HydrophobicContact CD1-CD1 4.14Å; L8-L12 HydrophobicContact CD1-CG 4.26Å; L8-L12 HydrophobicContact CG-CD1 4.19Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 VanDerWaalsContact O-CG 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.09Å; L8-L12 PolarHBondContact O-N 3.01Å; K9-L12 PolarHBondContact O-N 3.43Å; L12-K16 VanDerWaalsContact O-CB 3.32Å; L12-K16 WeakPolarHBondContact O-CB 3.1Å; L12-K16 PolarHBondContact O-N 2.78Å; L12-V27 HydrophobicContact CD2-CB 4.36Å; L12-V27 HydrophobicContact CD2-CG1 4.49Å; L12-V27 HydrophobicContact CD2-CG2 4.13Å; L12-L77 HydrophobicContact CD1-CB 4.24Å; L12-L77 HydrophobicContact CD1-CD2 3.49Å; L12-L77 VanDerWaalsContact CD1-CD2 3.49Å; L12-L77 HydrophobicContact CD1-CG 4.23Å; L12-T80 PolarHBondContact O-OG1 3.48Å; L12-T82 HydrophobicContact CD1-CG2 4.16Å
13L87.3Confident81.9Confident81 Ų8174 Ų7442%0.42441%0.407SS..Hα-helixtrans-71.2-42.9174.6-78.7172.5000111.4K9 S10 E11 K16 A17 S78K9-L13 WeakPolarHBondContact O-CB 3.36Å; K9-L13 VanDerWaalsContact O-CG 3.31Å; K9-L13 WeakPolarHBondContact O-CG 3.46Å; K9-L13 PolarHBondContact O-N 3.06Å; S10-L13 PolarHBondContact O-N 3.1Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 3.01Å; L13-K16 PolarHBondContact O-N 3.03Å; L13-A17 WeakPolarHBondContact O-CB 3.09Å; L13-A17 PolarHBondContact O-N 2.95Å; L13-S78 WeakPolarHBondContact CD2-O 3.41Å
14Y88.8Confident81.6Confident151 Ų15176.7 Ų76.759%0.59241%0.409SS*.Hα-helixtrans-57.9-51.8174.6177.1-101.1000110.6S10 E11 K16 A17 S18S10-Y14 WeakPolarHBondContact O-CB 3.46Å; S10-Y14 PolarHBondContact O-N 3.46Å; E11-Y14 PolarHBondContact O-N 3.25Å; Y14-K16 VanDerWaalsContact C-N 3.32Å; Y14-K16 PolarHBondContact O-N 2.69Å; Y14-A17 PolarHBondContact O-N 3.19Å; Y14-A17 VanDerWaalsContact O-N 3.1Å; Y14-S18 WeakPolarHBondContact CE2-OG 2.92Å; Y14-S18 WeakPolarHBondContact O-CB 3.31Å; Y14-S18 PolarHBondContact O-N 3.02Å; Y14-S18 PolarHBondContact O-OG 2.83Å
15V87.2Confident81.6Confident31 Ų3178.2 Ų78.219%0.18842%0.42CS..Hα-helixtrans-59.4-42.5177.2171.90000111.4E11 A17 W19 P25 V27E11-V15 WeakPolarHBondContact O-CB 3.32Å; E11-V15 VanDerWaalsContact O-CG2 3.29Å; E11-V15 WeakPolarHBondContact O-CG2 3.46Å; E11-V15 PolarHBondContact O-N 3.08Å; V15-A17 VanDerWaalsContact C-N 3.31Å; V15-A17 PolarHBondContact O-N 3.18Å; V15-W19 HydrophobicContact CG1-CB 4.42Å; V15-W19 WeakPolarHBondContact O-CB 3.35Å; V15-W19 PolarHBondContact O-N 3.35Å; V15-P25 HydrophobicContact CG1-CB 3.57Å; V15-P25 HydrophobicContact CG1-CG 3.23Å; V15-V27 HydrophobicContact CG1-CG2 4.37Å; V15-V27 HydrophobicContact CG2-CG2 4.16Å
16K84.4Confident81.5Confident123 Ų12381.7 Ų81.754%0.53544%0.439SS..Hα-helixtrans-61.3-38.7176.6178-177.2170.1-171.40112.5L12 L13 Y14 G79 T80L12-K16 VanDerWaalsContact O-CB 3.32Å; L12-K16 WeakPolarHBondContact O-CB 3.1Å; L12-K16 PolarHBondContact O-N 2.78Å; L13-K16 PolarHBondContact O-N 3.03Å; Y14-K16 VanDerWaalsContact C-N 3.32Å; Y14-K16 PolarHBondContact O-N 2.69Å; K16-G79 PolarHBondContact NZ-O 3.24Å; K16-T80 HydrophobicContact CB-CG2 4.23Å; K16-T80 HydrophobicContact CD-CG2 4.42Å; K16-T80 VanDerWaalsContact CD-OG1 3.32Å; K16-T80 WeakPolarHBondContact CD-OG1 3.28Å
17A86Confident81.4Confident88 Ų8881 Ų8173%0.72744%0.437SS*.Hα-helixtrans-79.2-36.5-177.800000112.8L13 Y14 V15L13-A17 WeakPolarHBondContact O-CB 3.09Å; L13-A17 PolarHBondContact O-N 2.95Å; Y14-A17 PolarHBondContact O-N 3.19Å; Y14-A17 VanDerWaalsContact O-N 3.1Å; V15-A17 VanDerWaalsContact C-N 3.31Å; V15-A17 PolarHBondContact O-N 3.18Å
18S86.1Confident81.3Confident61 Ų6182.8 Ų82.843%0.42745%0.448SS..Hα-helixtrans-94.4-19.6-172.5-57.70000114.2Y14 N20Y14-S18 WeakPolarHBondContact CE2-OG 2.92Å; Y14-S18 WeakPolarHBondContact O-CB 3.31Å; Y14-S18 PolarHBondContact O-N 3.02Å; Y14-S18 PolarHBondContact O-OG 2.83Å; S18-N20 PolarHBondContact O-N 2.86Å; S18-N20 VanDerWaalsContact O-N 3.14Å
19W81.1Confident81Confident123 Ų12385.6 Ų85.647%0.46646%0.462SS..  trans-79.499.7-175.1-166.8-86.7000112.2V15 V21 P25V15-W19 HydrophobicContact CG1-CB 4.42Å; V15-W19 WeakPolarHBondContact O-CB 3.35Å; V15-W19 PolarHBondContact O-N 3.35Å; W19-V21 HydrophobicContact CZ2-CB 4.22Å; W19-V21 PolarHBondContact NE1-O 3.24Å; W19-P25 HydrophobicContact CB-CG 4.47Å; W19-P25 HydrophobicContact CD2-CB 3.76Å; W19-P25 HydrophobicContact CD2-CG 3.95Å; W19-P25 HydrophobicContact CE3-CB 3.79Å; W19-P25 HydrophobicContact CE3-CG 4.37Å; W19-P25 HydrophobicContact CG-CB 4.33Å; W19-P25 HydrophobicContact CG-CG 3.98Å; W19-P25 HydrophobicContact CH2-CB 4.24Å; W19-P25 HydrophobicContact CZ2-CB 4.22Å; W19-P25 HydrophobicContact CZ3-CB 4.03Å
20N76Confident80.6Confident144 Ų14489.2 Ų89.277%0.7748%0.484SS*.  trans-100.11.1177.964.2-12.3000114.1S18S18-N20 PolarHBondContact O-N 2.86Å; S18-N20 VanDerWaalsContact O-N 3.14Å
21V70.9Confident80.2Confident75 Ų7589.4 Ų89.446%0.45548%0.48SS..SBendtrans-91.5144.6-175.8-178.20000110.9W19 G23W19-V21 HydrophobicContact CZ2-CB 4.22Å; W19-V21 PolarHBondContact NE1-O 3.24Å; V21-G23 PolarHBondContact O-N 2.97Å
22P63.9Low79.7Confident65 Ų6588.3 Ų88.342%0.42248%0.482SS..SBendtrans-55.6127.3169.819.1-30.5000111.5M393 T397P22-M393 HydrophobicContact CB-CE 4.16Å; P22-T397 HydrophobicContact CB-CG2 3.83Å; P22-T397 HydrophobicContact CG-CG2 4.26Å
23G68.4Low79.1Confident58 Ų5891.6 Ų91.660%0.59851%0.507SS*.SBendtrans143-177.1174.400000112.4V21V21-G23 PolarHBondContact O-N 2.97Å
24R73.6Confident78.5Confident178 Ų17889.9 Ų89.967%0.67251%0.509SS*.  trans-113.6114.2167.6-64.8178.2-174.3-124.28.2106.4L26R24-L26 PolarHBondContact O-N 3.43Å
25P78.7Confident77.5Confident50 Ų5086.7 Ų86.733%0.32550%0.5SS..  trans-61.4129.9179.321.8-29.5000109.6V15 W19 V27V15-P25 HydrophobicContact CG1-CB 3.57Å; V15-P25 HydrophobicContact CG1-CG 3.23Å; W19-P25 HydrophobicContact CB-CG 4.47Å; W19-P25 HydrophobicContact CD2-CB 3.76Å; W19-P25 HydrophobicContact CD2-CG 3.95Å; W19-P25 HydrophobicContact CE3-CB 3.79Å; W19-P25 HydrophobicContact CE3-CG 4.37Å; W19-P25 HydrophobicContact CG-CB 4.33Å; W19-P25 HydrophobicContact CG-CG 3.98Å; W19-P25 HydrophobicContact CH2-CB 4.24Å; W19-P25 HydrophobicContact CZ2-CB 4.22Å; W19-P25 HydrophobicContact CZ3-CB 4.03Å; P25-V27 PolarHBondContact O-N 3.27Å
26L79.7Confident76.7Confident94 Ų9488.4 Ų88.449%0.49251%0.508SS..  trans-86.2109.4172.6-178.469.2000108.2R24 V28 F90R24-L26 PolarHBondContact O-N 3.43Å; L26-V28 HydrophobicContact CD2-CG2 4.17Å; L26-V28 HydrophobicContact CG-CG2 4.12Å; L26-F90 HydrophobicContact CD1-CB 4.07Å; L26-F90 HydrophobicContact CD1-CD2 3.69Å; L26-F90 HydrophobicContact CD1-CE2 4.24Å; L26-F90 HydrophobicContact CD1-CG 3.83Å
27V81.7Confident75.7Confident62 Ų6285 Ų8538%0.37650%0.497SS..  trans-95.2117.2173.8-177.60000108.3L12 V15 P25L12-V27 HydrophobicContact CD2-CB 4.36Å; L12-V27 HydrophobicContact CD2-CG1 4.49Å; L12-V27 HydrophobicContact CD2-CG2 4.13Å; V15-V27 HydrophobicContact CG1-CG2 4.37Å; V15-V27 HydrophobicContact CG2-CG2 4.16Å; P25-V27 PolarHBondContact O-N 3.27Å
28V81.5Confident74.2Confident100 Ų10082.1 Ų82.161%0.60648%0.476SS*.  trans-100.8113.8177.8-178.20000108.7L26 L30L26-V28 HydrophobicContact CD2-CG2 4.17Å; L26-V28 HydrophobicContact CG-CG2 4.12Å; V28-L30 HydrophobicContact CG1-CD2 4.48Å
29L77.8Confident72.5Confident72 Ų7287.8 Ų87.838%0.37750%0.498SS..  trans-99.8117.2173.8-175.972.8000109.4L4 L8 I31L4-L29 HydrophobicContact CD2-CD2 4.37Å; L8-L29 HydrophobicContact CD1-CD1 4.45Å; L8-L29 HydrophobicContact CD1-CD2 4.07Å; L8-L29 HydrophobicContact CD2-CD2 4.08Å; L29-I31 HydrophobicContact CD2-CD1 4.1Å; L29-I31 HydrophobicContact CD2-CG1 3.95Å; L29-I31 HydrophobicContact CG-CG1 4.12Å
30L79.1Confident70.9Confident144 Ų14485.1 Ų85.175%0.75450%0.497SS*.  trans-82.3118.1172.1-63.1176000109.3V28V28-L30 HydrophobicContact CG1-CD2 4.48Å
31I78Confident69.6Low66 Ų6683.8 Ų83.834%0.33850%0.499SS..  trans-109.8105.4175.3-53.4177.3000107.6L29 I36L29-I31 HydrophobicContact CD2-CD1 4.1Å; L29-I31 HydrophobicContact CD2-CG1 3.95Å; L29-I31 HydrophobicContact CG-CG1 4.12Å; I31-I36 HydrophobicContact CG2-CD1 3.8Å; I31-I36 HydrophobicContact CG2-CG1 3.75Å
32S77.1Confident68.5Low70 Ų7089 Ų8949%0.4951%0.511SS..  trans-80.2152174.9177.50000111G34 M35 I36S32-G34 PolarHBondContact O-N 3.04Å; S32-G34 PolarHBondContact OG-N 3.44Å; S32-M35 PolarHBondContact N-SD 3.24Å; S32-M35 WeakPolarHBondContact O-CA 3.08Å; S32-M35 VanDerWaalsContact O-CB 3.32Å; S32-M35 WeakPolarHBondContact O-CB 3.21Å; S32-M35 PolarHBondContact O-N 3.18Å; S32-I36 PolarHBondContact O-N 3.28Å
33S75Confident67.7Low88 Ų8894.1 Ų94.162%0.61553%0.527SS*.Hα-helixtrans-55.4-33.9172.856.80000111.6M35 I36 T37S33-M35 PolarHBondContact O-N 3.04Å; S33-I36 PolarHBondContact O-N 3.33Å; S33-T37 WeakPolarHBondContact O-CB 3.4Å; S33-T37 PolarHBondContact O-N 3.26Å; S33-T37 PolarHBondContact O-OG1 3.34Å
34G72.9Confident66.9Low45 Ų4597.2 Ų97.246%0.46452%0.524SS..Hα-helixtrans-61.1-26.1172.800000114S32 I36 G38S32-G34 PolarHBondContact O-N 3.04Å; S32-G34 PolarHBondContact OG-N 3.44Å; G34-I36 VanDerWaalsContact C-N 3.35Å; G34-G38 WeakPolarHBondContact O-CA 3.3Å; G34-G38 PolarHBondContact O-N 3.15Å
35M68.1Low65.9Low83 Ų8392.1 Ų92.141%0.40951%0.512SS..Hα-helixtrans-80.5-19.6175.2-55.9172.595.200112.4L4 S32 S33L4-M35 HydrophobicContact CD1-CB 4.05Å; L4-M35 HydrophobicContact CD1-CE 3.3Å; L4-M35 HydrophobicContact CD1-CG 4.49Å; L4-M35 HydrophobicContact CD1-SD 4.13Å; L4-M35 HydrophobicContact CG-CE 4.04Å; S32-M35 PolarHBondContact N-SD 3.24Å; S32-M35 WeakPolarHBondContact O-CA 3.08Å; S32-M35 VanDerWaalsContact O-CB 3.32Å; S32-M35 WeakPolarHBondContact O-CB 3.21Å; S32-M35 PolarHBondContact O-N 3.18Å; S33-M35 PolarHBondContact O-N 3.04Å
36I70.5Confident64.8Low68 Ų6896.9 Ų96.935%0.34953%0.528SS..Hα-helixtrans-94.3-47.7179.9-56.8173.3000110.3I31 S32 S33 G34 A61I31-I36 HydrophobicContact CG2-CD1 3.8Å; I31-I36 HydrophobicContact CG2-CG1 3.75Å; S32-I36 PolarHBondContact O-N 3.28Å; S33-I36 PolarHBondContact O-N 3.33Å; G34-I36 VanDerWaalsContact C-N 3.35Å; I36-A61 HydrophobicContact CG2-CB 4.18Å
37T63.1Low63.4Low51 Ų5195.1 Ų95.131%0.31352%0.521SS..Hα-helixtrans-94.4-21.3-173.9-49.50000113S33 M39 C40 E59S33-T37 WeakPolarHBondContact O-CB 3.4Å; S33-T37 PolarHBondContact O-N 3.26Å; S33-T37 PolarHBondContact O-OG1 3.34Å; T37-M39 VanDerWaalsContact C-N 3.26Å; T37-M39 PolarHBondContact O-N 3.14Å; T37-C40 PolarHBondContact O-N 3.02Å; T37-E59 HydrophobicContact CG2-CG 4.1Å; T37-E59 WeakPolarHBondContact CG2-OE1 3.44Å; T37-E59 PolarHBondContact OG1-OE1 3.11Å
38G54.6Low62Low27 Ų27103.1 Ų103.128%0.27855%0.546SS..THydrogen-bonded Turntrans-69.85.7-156.600000119.4G34G34-G38 WeakPolarHBondContact O-CA 3.3Å; G34-G38 PolarHBondContact O-N 3.15Å
39M51Low60.8Low181 Ų181100.8 Ų100.889%0.89254%0.543SS*.THydrogen-bonded Turntrans-139.411.2174.5-61.5-173.679.600114.9T37 S41T37-M39 VanDerWaalsContact C-N 3.26Å; T37-M39 PolarHBondContact O-N 3.14Å; M39-S41 PolarHBondContact O-N 3.07Å; M39-S41 VanDerWaalsContact O-N 3.07Å
40C48.2Very low59.6Low67 Ų67103.3 Ų103.345%0.45356%0.556SS.*SBendtrans-63.6113.2160-70.90000107.1T37 R42T37-C40 PolarHBondContact O-N 3.02Å; C40-R42 PolarHBondContact O-N 3.35Å
41S47.1Very low58.5Low116 Ų116101.3 Ų101.381%0.81155%0.545SS*.  trans-22.4102.5-173.2-85.30000114.2M39 K43M39-S41 PolarHBondContact O-N 3.07Å; M39-S41 VanDerWaalsContact O-N 3.07Å; S41-K43 VanDerWaalsContact C-N 3.27Å; S41-K43 PolarHBondContact O-N 2.89Å
42R49Very low57.6Low185 Ų185101.3 Ų101.370%0.69855%0.548SS*.  trans-65.287.9167.8-75.1179.8-179.8158.8-2.4108.8C40 K44C40-R42 PolarHBondContact O-N 3.35Å; R42-K44 VanDerWaalsContact C-N 3.31Å; R42-K44 HydrophobicContact CB-CG 4.27Å; R42-K44 PolarHBondContact O-N 2.79Å
43K46.6Very low56.6Low172 Ų172102.7 Ų102.775%0.74856%0.556SS**  trans-71.398.7146.9-76.1-172.71781800105.7S41 A54S41-K43 VanDerWaalsContact C-N 3.27Å; S41-K43 PolarHBondContact O-N 2.89Å; K43-A54 WeakPolarHBondContact O-CB 3.41Å; K43-A54 PolarHBondContact O-N 3.19Å
44K51.8Low55.5Low123 Ų123100.8 Ų100.854%0.53555%0.545SS..EExtended strand (participates in β ladder)trans-76.1130.3168.7-61.1-174.1-179.9179.40107.2R42 L51R42-K44 VanDerWaalsContact C-N 3.31Å; R42-K44 HydrophobicContact CB-CG 4.27Å; R42-K44 PolarHBondContact O-N 2.79Å; K44-L51 HydrophobicContact CB-CD2 3.46Å; K44-L51 VanDerWaalsContact CB-CD2 3.46Å; K44-L51 HydrophobicContact CD-CB 4.33Å; K44-L51 HydrophobicContact CD-CD2 3.71Å; K44-L51 HydrophobicContact CD-CG 4.47Å; K44-L51 HydrophobicContact CG-CD2 4.24Å
45V53.5Low54.4Low71 Ų71105 Ų10543%0.4356%0.564SS.*EExtended strand (participates in β ladder)trans-104.3135.6174.3174.80000107.6T47 V52 A54V45-T47 HydrophobicContact CG1-CG2 4.04Å; V45-T47 PolarHBondContact O-N 3.41Å; V45-V52 PolarHBondContact N-O 3.36Å; V45-V52 PolarHBondContact O-N 3.29Å; V45-V52 VanDerWaalsContact O-N 3.11Å; V45-A54 HydrophobicContact CG2-CB 4.26Å
46F54.1Low53.5Low149 Ų149104.9 Ų104.965%0.65457%0.572SS**EExtended strand (participates in β ladder)trans-86.2106.9174.1-160-96000108L51F46-L51 HydrophobicContact CD2-CG 4.19Å
47T50Low52.7Low57 Ų57111.6 Ų111.635%0.3560%0.598SS.*EExtended strand (participates in β ladder)trans-135.2131.2179.226.70000108.4V45 G49 L50V45-T47 HydrophobicContact CG1-CG2 4.04Å; V45-T47 PolarHBondContact O-N 3.41Å; T47-G49 VanDerWaalsContact C-N 3.28Å; T47-G49 PolarHBondContact O-N 2.78Å; T47-L50 PolarHBondContact N-O 3Å; T47-L50 PolarHBondContact O-N 2.99Å; T47-L50 VanDerWaalsContact O-N 3.14Å
48Y53.5Low52Low230 Ų230115 Ų11590%0.90262%0.615SS**THydrogen-bonded Turntrans54.538.9179.1-49.9-75.7000114.2L50Y48-L50 PolarHBondContact O-N 3.22Å; Y48-L50 VanDerWaalsContact O-N 3.14Å
49G55.4Low51.9Low52 Ų52120.3 Ų120.354%0.53663%0.632SS.*THydrogen-bonded Turntrans71.43.6178.700000115.2T47T47-G49 VanDerWaalsContact C-N 3.28Å; T47-G49 PolarHBondContact O-N 2.78Å
50L53.3Low52.2Low124 Ų124119.1 Ų119.165%0.64962%0.624SS**EExtended strand (participates in β ladder)trans-120.4142177.3-116.585.5000111.5T47 Y48 V52T47-L50 PolarHBondContact N-O 3Å; T47-L50 PolarHBondContact O-N 2.99Å; T47-L50 VanDerWaalsContact O-N 3.14Å; Y48-L50 PolarHBondContact O-N 3.22Å; Y48-L50 VanDerWaalsContact O-N 3.14Å; L50-V52 HydrophobicContact CB-CG2 4.29Å; L50-V52 PolarHBondContact O-N 2.98Å
51L56.6Low53Low102 Ų102118 Ų11853%0.53462%0.62SS.*EExtended strand (participates in β ladder)trans-77100.7170.2-84148.8000109.3K44 F46K44-L51 HydrophobicContact CB-CD2 3.46Å; K44-L51 VanDerWaalsContact CB-CD2 3.46Å; K44-L51 HydrophobicContact CD-CB 4.33Å; K44-L51 HydrophobicContact CD-CD2 3.71Å; K44-L51 HydrophobicContact CD-CG 4.47Å; K44-L51 HydrophobicContact CG-CD2 4.24Å; F46-L51 HydrophobicContact CD2-CG 4.19Å
52V58.5Low54.1Low66 Ų66114.1 Ų114.140%0.459%0.592SS.*EExtended strand (participates in β ladder)trans-101.5137-179.9-174.90000109.9V45 L50 A54V45-V52 PolarHBondContact N-O 3.36Å; V45-V52 PolarHBondContact O-N 3.29Å; V45-V52 VanDerWaalsContact O-N 3.11Å; L50-V52 HydrophobicContact CB-CG2 4.29Å; L50-V52 PolarHBondContact O-N 2.98Å; V52-A54 PolarHBondContact O-N 3.28Å
53P55.5Low55.4Low100 Ų100112.6 Ų112.665%0.64960%0.597SS**EExtended strand (participates in β ladder)trans-64.1127.9173.6-15.328.6000110.8
54A52.7Low56.9Low47 Ų47106.5 Ų106.539%0.38858%0.582SS.*PPolyproline II helixtrans-67.6133.2172.900000110.6K43 V45 V52 S56K43-A54 WeakPolarHBondContact O-CB 3.41Å; K43-A54 PolarHBondContact O-N 3.19Å; V45-A54 HydrophobicContact CG2-CB 4.26Å; V52-A54 PolarHBondContact O-N 3.28Å; A54-S56 PolarHBondContact O-N 3.32Å
55P48.9Very low58.2Low134 Ų134101 Ų10187%0.8756%0.559SS**  trans-74.7105.4176.328.6-31.5000110.3
56S50.1Low59.5Low81 Ų81100.7 Ų100.757%0.56655%0.554SS**  trans-94.7128.9167.857.20000110.3A54 D58A54-S56 PolarHBondContact O-N 3.32Å; S56-D58 PolarHBondContact O-N 3.5Å
57K52.5Low60.9Low209 Ų20995.1 Ų95.191%0.90954%0.539SS*.SBendtrans-73.1-1.4-176.3-72.1-176.7175-179.90115.6
58D48.2Very low62.5Low122 Ų12292.8 Ų92.865%0.65253%0.525SS*.  trans-106.568.3-179.6-66.2-42.8000111.8S56 Q60S56-D58 PolarHBondContact O-N 3.5Å; D58-Q60 VanDerWaalsContact C-N 3.28Å; D58-Q60 PolarHBondContact O-N 3.05Å; D58-Q60 VanDerWaalsContact O-N 3.15Å
59E53.2Low63.9Low139 Ų13984.6 Ų84.665%0.6550%0.497SS*.  trans-87.165.1175.9-148.2176.6-171.100110T37T37-E59 HydrophobicContact CG2-CG 4.1Å; T37-E59 WeakPolarHBondContact CG2-OE1 3.44Å; T37-E59 PolarHBondContact OG1-OE1 3.11Å
60Q58.5Low65.4Low155 Ų15589.1 Ų89.172%0.72450%0.502SS*.PPolyproline II helixtrans-88.9125.5177.1-71.7-177.630.200111.1D58D58-Q60 VanDerWaalsContact C-N 3.28Å; D58-Q60 PolarHBondContact O-N 3.05Å; D58-Q60 VanDerWaalsContact O-N 3.15Å
61A64.7Low67Low43 Ų4389.5 Ų89.536%0.35550%0.498SS..PPolyproline II helixtrans-60.9132.1173.100000110.1I36 L63 I66I36-A61 HydrophobicContact CG2-CB 4.18Å; A61-L63 PolarHBondContact O-N 3.48Å; A61-I66 HydrophobicContact CB-CD1 4.14Å; A61-I66 HydrophobicContact CB-CG1 4.37Å; A61-I66 VanDerWaalsContact O-CD1 3.32Å; A61-I66 WeakPolarHBondContact O-CD1 3.21Å
62P69.6Low68.4Low36 Ų3685.7 Ų85.723%0.23448%0.478CS..PPolyproline II helixtrans-63.9133.9-17418.2-29.7000112.9M1 G64 L65 I66M1-P62 HydrophobicContact CE-CB 4.01Å; M1-P62 HydrophobicContact CE-CG 3.02Å; M1-P62 HydrophobicContact CG-CB 3.86Å; M1-P62 HydrophobicContact CG-CG 3.87Å; M1-P62 HydrophobicContact SD-CB 3.56Å; M1-P62 VanDerWaalsContact SD-CB 3.56Å; M1-P62 HydrophobicContact SD-CG 3.26Å; M1-P62 WeakPolarHBondContact SD-CG 3.23Å; P62-G64 PolarHBondContact O-N 2.85Å; P62-G64 VanDerWaalsContact O-N 3.08Å; P62-L65 PolarHBondContact O-N 3.45Å; P62-L65 VanDerWaalsContact O-N 3.08Å; P62-I66 PolarHBondContact O-N 3.2Å
63L75.3Confident69.7Low153 Ų15390.4 Ų90.480%0.80149%0.493SS*.Hα-helixtrans-52.5-35-172.7-69165.9000114.2A61 I66 G67A61-L63 PolarHBondContact O-N 3.48Å; L63-I66 PolarHBondContact O-N 3.06Å; L63-G67 PolarHBondContact O-N 3.38Å
64G78.4Confident71.1Confident43 Ų4390.2 Ų90.244%0.44349%0.494SS..Hα-helixtrans-62.9-42.9179.600000113.3I5 P62 G67 A68I5-G64 VanDerWaalsContact CD1-C 3.45Å; I5-G64 WeakPolarHBondContact CD1-O 3.44Å; P62-G64 PolarHBondContact O-N 2.85Å; P62-G64 VanDerWaalsContact O-N 3.08Å; G64-G67 PolarHBondContact O-N 2.8Å; G64-A68 PolarHBondContact O-N 2.71Å
65L80Confident72.6Confident9 Ų988.9 Ų88.95%0.04749%0.485CS..Hα-helixtrans-67.7-41.7178.1179.959.8000110.7M1 L4 P62 G67 A68 L69M1-L65 HydrophobicContact CE-CB 4.32Å; M1-L65 HydrophobicContact CE-CD2 4.39Å; M1-L65 HydrophobicContact SD-CB 4.18Å; L4-L65 HydrophobicContact CD2-CD1 3.87Å; P62-L65 PolarHBondContact O-N 3.45Å; P62-L65 VanDerWaalsContact O-N 3.08Å; L65-G67 VanDerWaalsContact C-N 3.3Å; L65-G67 PolarHBondContact O-N 3.45Å; L65-A68 PolarHBondContact O-N 3.47Å; L65-L69 HydrophobicContact CD1-CD1 4.4Å; L65-L69 HydrophobicContact CD1-CG 4.36Å; L65-L69 HydrophobicContact CG-CD1 4.13Å; L65-L69 WeakPolarHBondContact O-CB 3.29Å; L65-L69 WeakPolarHBondContact O-CG 3.16Å; L65-L69 PolarHBondContact O-N 2.9Å
66I81.1Confident74.3Confident64 Ų6489 Ų8933%0.32847%0.469SS..Hα-helixtrans-59.3-43.1174.8-62.6171.5000110.5A61 P62 L63 L69 K70A61-I66 HydrophobicContact CB-CD1 4.14Å; A61-I66 HydrophobicContact CB-CG1 4.37Å; A61-I66 VanDerWaalsContact O-CD1 3.32Å; A61-I66 WeakPolarHBondContact O-CD1 3.21Å; P62-I66 PolarHBondContact O-N 3.2Å; L63-I66 PolarHBondContact O-N 3.06Å; I66-L69 PolarHBondContact O-N 3.24Å; I66-K70 HydrophobicContact CG2-CD 4.31Å; I66-K70 WeakPolarHBondContact O-CB 3.41Å; I66-K70 WeakPolarHBondContact O-CG 3.44Å; I66-K70 PolarHBondContact O-N 3.25Å
67G83.6Confident75.9Confident32 Ų3285.4 Ų85.433%0.3344%0.444SS..Hα-helixtrans-61.7-44.617600000112.9L63 G64 L65 K70 K71L63-G67 PolarHBondContact O-N 3.38Å; G64-G67 PolarHBondContact O-N 2.8Å; L65-G67 VanDerWaalsContact C-N 3.3Å; L65-G67 PolarHBondContact O-N 3.45Å; G67-K70 PolarHBondContact O-N 2.94Å; G67-K71 WeakPolarHBondContact O-CG 3.34Å; G67-K71 PolarHBondContact O-N 3.22Å
68A82.8Confident77.1Confident7 Ų777.7 Ų77.76%0.05842%0.416CS..Hα-helixtrans-63.1-44.917600000112I5 G64 L65 K70 K71 I72I5-A68 HydrophobicContact CD1-CB 4.34Å; I5-A68 HydrophobicContact CG1-CB 4.2Å; I5-A68 HydrophobicContact CG2-CB 4.25Å; G64-A68 PolarHBondContact O-N 2.71Å; L65-A68 PolarHBondContact O-N 3.47Å; A68-K70 PolarHBondContact O-N 3.13Å; A68-K71 WeakPolarHBondContact O-CB 3.45Å; A68-K71 PolarHBondContact O-N 2.9Å; A68-I72 VanDerWaalsContact O-CG1 3.31Å; A68-I72 WeakPolarHBondContact O-CG1 3.36Å; A68-I72 PolarHBondContact O-N 3.43Å
69L84Confident78.6Confident58 Ų5873.1 Ų73.130%0.30440%0.398SS..Hα-helixtrans-63.4-39.5176.8-71.1172.5000112.3L65 I66 K71 I72 K73 M84L65-L69 HydrophobicContact CD1-CD1 4.4Å; L65-L69 HydrophobicContact CD1-CG 4.36Å; L65-L69 HydrophobicContact CG-CD1 4.13Å; L65-L69 WeakPolarHBondContact O-CB 3.29Å; L65-L69 WeakPolarHBondContact O-CG 3.16Å; L65-L69 PolarHBondContact O-N 2.9Å; I66-L69 PolarHBondContact O-N 3.24Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.31Å; L69-I72 HydrophobicContact CD2-CD1 4.48Å; L69-I72 PolarHBondContact O-N 3.4Å; L69-K73 WeakPolarHBondContact O-CB 3.41Å; L69-K73 PolarHBondContact O-N 3.37Å; L69-M84 HydrophobicContact CD2-CE 4.39Å
70K85.9Confident80Confident148 Ų14867.3 Ų67.364%0.64337%0.372SS*.Hα-helixtrans-61.7-41.1173-77.8-179.4178.5-1780111.8I66 G67 A68 K73 S74I66-K70 HydrophobicContact CG2-CD 4.31Å; I66-K70 WeakPolarHBondContact O-CB 3.41Å; I66-K70 WeakPolarHBondContact O-CG 3.44Å; I66-K70 PolarHBondContact O-N 3.25Å; G67-K70 PolarHBondContact O-N 2.94Å; A68-K70 PolarHBondContact O-N 3.13Å; K70-K73 PolarHBondContact O-N 3.36Å; K70-S74 PolarHBondContact O-N 2.66Å
71K86.7Confident81.1Confident131 Ų13169.7 Ų69.757%0.5737%0.374SS*.Hα-helixtrans-63.2-46.9174.8-73.4-176.7178.8-173.90111.7G67 A68 L69 K73 S74 G75 Y76 L77G67-K71 WeakPolarHBondContact O-CG 3.34Å; G67-K71 PolarHBondContact O-N 3.22Å; A68-K71 WeakPolarHBondContact O-CB 3.45Å; A68-K71 PolarHBondContact O-N 2.9Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.31Å; K71-K73 VanDerWaalsContact C-N 3.31Å; K71-K73 PolarHBondContact O-N 3.01Å; K71-S74 WeakPolarHBondContact O-CA 3.31Å; K71-S74 WeakPolarHBondContact O-CB 3.35Å; K71-S74 PolarHBondContact O-N 3.04Å; K71-S74 PolarHBondContact O-OG 2.94Å; K71-G75 PolarHBondContact O-N 2.84Å; K71-Y76 CarbonylContact C-O 3.5Å; K71-Y76 VanDerWaalsContact C-O 3.26Å; K71-Y76 PolarHBondContact O-N 2.79Å; K71-L77 HydrophobicContact CB-CD1 4.12Å; K71-L77 HydrophobicContact CD-CD1 4.46Å
72I85.7Confident82.1Confident22 Ų2268.4 Ų68.411%0.11336%0.362CS..Hα-helixtrans-59.6-42.8176.4-64.1162.3000111.3L8 A68 L69 S74 G75 L77 T82 M84L8-I72 HydrophobicContact CD2-CD1 3.59Å; A68-I72 VanDerWaalsContact O-CG1 3.31Å; A68-I72 WeakPolarHBondContact O-CG1 3.36Å; A68-I72 PolarHBondContact O-N 3.43Å; L69-I72 HydrophobicContact CD2-CD1 4.48Å; L69-I72 PolarHBondContact O-N 3.4Å; I72-S74 VanDerWaalsContact C-N 3.31Å; I72-S74 PolarHBondContact O-N 3.4Å; I72-G75 PolarHBondContact O-N 3.35Å; I72-L77 HydrophobicContact CD1-CD2 3.74Å; I72-L77 HydrophobicContact CG1-CB 4Å; I72-L77 HydrophobicContact CG1-CD1 4.47Å; I72-L77 HydrophobicContact CG1-CD2 3.54Å; I72-L77 HydrophobicContact CG1-CG 4.2Å; I72-T82 PolarHBondContact O-OG1 3.11Å; I72-T82 VanDerWaalsContact O-OG1 3.07Å; I72-M84 HydrophobicContact CG2-CB 4.14Å; I72-M84 HydrophobicContact CG2-CG 4.41Å; I72-M84 HydrophobicContact CG2-SD 4.47Å
73K86.2Confident82.8Confident165 Ų16571.4 Ų71.472%0.71738%0.375SS*.Hα-helixtrans-63.1-34.3175.2-173.6179.8177.1-177.30112.5L69 K70 K71 G75 M84L69-K73 WeakPolarHBondContact O-CB 3.41Å; L69-K73 PolarHBondContact O-N 3.37Å; K70-K73 PolarHBondContact O-N 3.36Å; K71-K73 VanDerWaalsContact C-N 3.31Å; K71-K73 PolarHBondContact O-N 3.01Å; K73-G75 PolarHBondContact O-N 3.11Å; K73-M84 HydrophobicContact CB-SD 4.14Å
74S85.7Confident83.3Confident96 Ų9669.3 Ų69.367%0.67136%0.362SS*.Hα-helixtrans-69.6-9.7173.473.20000113.9K70 K71 I72K70-S74 PolarHBondContact O-N 2.66Å; K71-S74 WeakPolarHBondContact O-CA 3.31Å; K71-S74 WeakPolarHBondContact O-CB 3.35Å; K71-S74 PolarHBondContact O-N 3.04Å; K71-S74 PolarHBondContact O-OG 2.94Å; I72-S74 VanDerWaalsContact C-N 3.31Å; I72-S74 PolarHBondContact O-N 3.4Å
75G84.3Confident83.4Confident20 Ų2069 Ų6921%0.20636%0.359CS..THydrogen-bonded Turntrans97.911.9173.600000114.7K71 I72 K73 R81 T82K71-G75 PolarHBondContact O-N 2.84Å; I72-G75 PolarHBondContact O-N 3.35Å; K73-G75 PolarHBondContact O-N 3.11Å; G75-R81 WeakPolarHBondContact O-CA 3.28Å; G75-R81 WeakPolarHBondContact O-CG 3.4Å; G75-T82 CarbonylContact C-O 3.57Å; G75-T82 WeakPolarHBondContact CA-O 3.36Å; G75-T82 PolarHBondContact O-N 2.68Å
76Y84.6Confident83.3Confident136 Ų13675.1 Ų75.153%0.53339%0.385SS..EExtended strand (participates in β ladder)trans-151133.4-179.1-174.2-94.9000112.8K71 G79 T80 T82K71-Y76 CarbonylContact C-O 3.5Å; K71-Y76 VanDerWaalsContact C-O 3.26Å; K71-Y76 PolarHBondContact O-N 2.79Å; Y76-G79 WeakPolarHBondContact OH-CA 2.99Å; Y76-G79 PolarHBondContact OH-N 3.45Å; Y76-T80 WeakPolarHBondContact CA-O 3.41Å; Y76-T82 PolarHBondContact N-OG1 3.03Å
77L82.6Confident83Confident5 Ų575.9 Ų75.93%0.02639%0.39CS..EExtended strand (participates in β ladder)trans-142.6123.8171.1-174.665.8000109.6L8 L12 K71 I72 G79 T80 T82L8-L77 HydrophobicContact CD2-CD2 4.01Å; L8-L77 HydrophobicContact CG-CD2 4.1Å; L12-L77 HydrophobicContact CD1-CB 4.24Å; L12-L77 HydrophobicContact CD1-CD2 3.49Å; L12-L77 VanDerWaalsContact CD1-CD2 3.49Å; L12-L77 HydrophobicContact CD1-CG 4.23Å; K71-L77 HydrophobicContact CB-CD1 4.12Å; K71-L77 HydrophobicContact CD-CD1 4.46Å; I72-L77 HydrophobicContact CD1-CD2 3.74Å; I72-L77 HydrophobicContact CG1-CB 4Å; I72-L77 HydrophobicContact CG1-CD1 4.47Å; I72-L77 HydrophobicContact CG1-CD2 3.54Å; I72-L77 HydrophobicContact CG1-CG 4.2Å; L77-G79 PolarHBondContact O-N 3.09Å; L77-T80 PolarHBondContact N-O 3.27Å; L77-T80 WeakPolarHBondContact O-CB 3.48Å; L77-T80 PolarHBondContact O-N 3.35Å; L77-T82 HydrophobicContact CB-CG2 4.25Å
78S77.2Confident82.3Confident48 Ų4875 Ų7534%0.33638%0.378SS..THydrogen-bonded Turntrans47.848.8172.5-630000115.8K9 L13 T80K9-S78 WeakPolarHBondContact CD-OG 3.2Å; K9-S78 VanDerWaalsContact CG-OG 3.23Å; K9-S78 WeakPolarHBondContact CG-OG 3.4Å; L13-S78 WeakPolarHBondContact CD2-O 3.41Å; S78-T80 VanDerWaalsContact C-N 3.27Å; S78-T80 PolarHBondContact O-N 3.02Å
79G80Confident81.8Confident25 Ų2578.9 Ų78.926%0.25840%0.398SS..THydrogen-bonded Turntrans88.7-13.4-179.300000114.6K16 Y76 L77K16-G79 PolarHBondContact NZ-O 3.24Å; Y76-G79 WeakPolarHBondContact OH-CA 2.99Å; Y76-G79 PolarHBondContact OH-N 3.45Å; L77-G79 PolarHBondContact O-N 3.09Å
80T82.1Confident81.4Confident18 Ų1878.2 Ų78.211%0.1139%0.393CS..EExtended strand (participates in β ladder)trans-107128.1-174.4-56.20000110.1L12 K16 Y76 L77 S78 T82L12-T80 PolarHBondContact O-OG1 3.48Å; K16-T80 HydrophobicContact CB-CG2 4.23Å; K16-T80 HydrophobicContact CD-CG2 4.42Å; K16-T80 VanDerWaalsContact CD-OG1 3.32Å; K16-T80 WeakPolarHBondContact CD-OG1 3.28Å; Y76-T80 WeakPolarHBondContact CA-O 3.41Å; L77-T80 PolarHBondContact N-O 3.27Å; L77-T80 WeakPolarHBondContact O-CB 3.48Å; L77-T80 PolarHBondContact O-N 3.35Å; S78-T80 VanDerWaalsContact C-N 3.27Å; S78-T80 PolarHBondContact O-N 3.02Å; T80-T82 PolarHBondContact O-N 3.09Å
81R83.4Confident80.5Confident204 Ų20472.9 Ų72.977%0.7737%0.372SS*.EExtended strand (participates in β ladder)trans-74.5119.5173.9-162.4178.3-155.8-147.92.3108.5G75G75-R81 WeakPolarHBondContact O-CA 3.28Å; G75-R81 WeakPolarHBondContact O-CG 3.4Å
82T84.6Confident79.3Confident16 Ų1671.9 Ų71.910%0.09838%0.378CS..  trans-109.9154.2-178.256.50000110.3L12 I72 G75 Y76 L77 T80L12-T82 HydrophobicContact CD1-CG2 4.16Å; I72-T82 PolarHBondContact O-OG1 3.11Å; I72-T82 VanDerWaalsContact O-OG1 3.07Å; G75-T82 CarbonylContact C-O 3.57Å; G75-T82 WeakPolarHBondContact CA-O 3.36Å; G75-T82 PolarHBondContact O-N 2.68Å; Y76-T82 PolarHBondContact N-OG1 3.03Å; L77-T82 HydrophobicContact CB-CG2 4.25Å; T80-T82 PolarHBondContact O-N 3.09Å
83I84.7Confident78.3Confident100 Ų10076.1 Ų76.151%0.51341%0.405SS..  trans-124.5124.5163.7-63.7-177.3000105.9F90I83-F90 HydrophobicContact CB-CE1 4.12Å; I83-F90 HydrophobicContact CB-CZ 4.39Å; I83-F90 HydrophobicContact CG2-CE1 3.71Å; I83-F90 HydrophobicContact CG2-CZ 3.92Å; I83-F90 WeakPolarHBondContact O-CZ 3.41Å
84M84.7Confident77.2Confident108 Ų10870.7 Ų70.753%0.53239%0.387SS..  trans-98.3132.2172-163.5179-179.200108.6L69 I72 K73L69-M84 HydrophobicContact CD2-CE 4.39Å; I72-M84 HydrophobicContact CG2-CB 4.14Å; I72-M84 HydrophobicContact CG2-CG 4.41Å; I72-M84 HydrophobicContact CG2-SD 4.47Å; K73-M84 HydrophobicContact CB-SD 4.14Å
85G81.1Confident75.7Confident37 Ų3772.3 Ų72.338%0.38140%0.397SS..  trans-161.6174.4-179.200000110.2
86K78.1Confident74.4Confident137 Ų13776.8 Ų76.860%0.59642%0.415SS*.  trans-74152.8167.3-66177.4-178.2177.60108.2S88 D89 F90K86-S88 WeakPolarHBondContact CB-OG 3.46Å; K86-S88 PolarHBondContact O-N 2.91Å; K86-S88 VanDerWaalsContact O-N 3.12Å; K86-D89 PolarHBondContact N-OD2 3.09Å; K86-D89 WeakPolarHBondContact O-CB 3.2Å; K86-D89 PolarHBondContact O-N 3.38Å; K86-F90 VanDerWaalsContact O-CD2 3.31Å; K86-F90 WeakPolarHBondContact O-CD2 3.39Å
87I75.3Confident72.8Confident81 Ų8176.2 Ų76.242%0.41543%0.426SS..Hα-helixtrans-55.1-33.7176-175.2151.2000111.9D89 F90 V91 I119I87-D89 PolarHBondContact O-N 2.91Å; I87-F90 PolarHBondContact O-N 3.1Å; I87-F90 VanDerWaalsContact O-N 3.12Å; I87-V91 HydrophobicContact CG1-CG2 4.06Å; I87-V91 VanDerWaalsContact O-CG2 3.25Å; I87-V91 WeakPolarHBondContact O-CG2 3.48Å; I87-V91 PolarHBondContact O-N 3.18Å; I87-I119 HydrophobicContact CB-CG2 4.35Å; I87-I119 HydrophobicContact CG1-CG2 4.16Å; I87-I119 HydrophobicContact CG2-CB 4.34Å; I87-I119 HydrophobicContact CG2-CD1 4.06Å; I87-I119 HydrophobicContact CG2-CG1 4.01Å; I87-I119 HydrophobicContact CG2-CG2 3.46Å; I87-I119 VanDerWaalsContact CG2-CG2 3.46Å
88S69.4Low71.5Confident13 Ų1382.6 Ų82.69%0.09145%0.453CS..Hα-helixtrans-54.9-34.9172.954.30000114K86 F90 I119K86-S88 WeakPolarHBondContact CB-OG 3.46Å; K86-S88 PolarHBondContact O-N 2.91Å; K86-S88 VanDerWaalsContact O-N 3.12Å; S88-F90 VanDerWaalsContact C-N 3.33Å; S88-I119 WeakPolarHBondContact CA-O 3.49Å; S88-I119 WeakPolarHBondContact CB-O 3.49Å
89D71.8Confident70.4Confident88 Ų8884.7 Ų84.747%0.47146%0.461SS..Hα-helixtrans-72.4-35.3-176.6-52-22.8000109.8K86 I87 T92K86-D89 PolarHBondContact N-OD2 3.09Å; K86-D89 WeakPolarHBondContact O-CB 3.2Å; K86-D89 PolarHBondContact O-N 3.38Å; I87-D89 PolarHBondContact O-N 2.91Å; D89-T92 PolarHBondContact O-OG1 2.91Å
90F74.7Confident69.1Low45 Ų4590.4 Ų90.420%0.19748%0.48CS..Hα-helixtrans-83.1-31.3179-57.4-65.2000113.5L26 I83 K86 I87 S88 T92 T93 S94L26-F90 HydrophobicContact CD1-CB 4.07Å; L26-F90 HydrophobicContact CD1-CD2 3.69Å; L26-F90 HydrophobicContact CD1-CE2 4.24Å; L26-F90 HydrophobicContact CD1-CG 3.83Å; I83-F90 HydrophobicContact CB-CE1 4.12Å; I83-F90 HydrophobicContact CB-CZ 4.39Å; I83-F90 HydrophobicContact CG2-CE1 3.71Å; I83-F90 HydrophobicContact CG2-CZ 3.92Å; I83-F90 WeakPolarHBondContact O-CZ 3.41Å; K86-F90 VanDerWaalsContact O-CD2 3.31Å; K86-F90 WeakPolarHBondContact O-CD2 3.39Å; I87-F90 PolarHBondContact O-N 3.1Å; I87-F90 VanDerWaalsContact O-N 3.12Å; S88-F90 VanDerWaalsContact C-N 3.33Å; F90-T92 PolarHBondContact O-N 3.15Å; F90-T93 CarbonylContact O-C 3.49Å; F90-T93 PolarHBondContact O-N 2.71Å; F90-T93 PolarHBondContact O-OG1 3.13Å; F90-S94 PolarHBondContact O-N 3.22Å
91V67.5Low67.7Low35 Ų3599.4 Ų99.421%0.21252%0.518CS..Hα-helixtrans-56.1-40.3178.9169.70000111I87 T93 S94 I119 I120I87-V91 HydrophobicContact CG1-CG2 4.06Å; I87-V91 VanDerWaalsContact O-CG2 3.25Å; I87-V91 WeakPolarHBondContact O-CG2 3.48Å; I87-V91 PolarHBondContact O-N 3.18Å; V91-T93 PolarHBondContact O-N 3.02Å; V91-T93 VanDerWaalsContact O-N 3.09Å; V91-S94 PolarHBondContact O-N 3.49Å; V91-S94 PolarHBondContact O-OG 2.83Å; V91-I119 HydrophobicContact CG2-CG2 4.42Å; V91-I120 HydrophobicContact CG1-CG2 4.27Å
92T60.7Low66.1Low111 Ų11193.7 Ų93.768%0.68150%0.503SS*.THydrogen-bonded Turntrans-59.5-22.9177.963.40000114.4D89 F90D89-T92 PolarHBondContact O-OG1 2.91Å; F90-T92 PolarHBondContact O-N 3.15Å
93T64.7Low64.3Low111 Ų11195.8 Ų95.868%0.68152%0.518SS*.THydrogen-bonded Turntrans-106.1-417860.50000113.3F90 V91F90-T93 CarbonylContact O-C 3.49Å; F90-T93 PolarHBondContact O-N 2.71Å; F90-T93 PolarHBondContact O-OG1 3.13Å; V91-T93 PolarHBondContact O-N 3.02Å; V91-T93 VanDerWaalsContact O-N 3.09Å
94S64Low62.8Low51 Ų5196.2 Ų96.236%0.35753%0.525SS..  trans-80.7139.6-178.675.40000110.6F90 V91 I96F90-S94 PolarHBondContact O-N 3.22Å; V91-S94 PolarHBondContact O-N 3.49Å; V91-S94 PolarHBondContact O-OG 2.83Å; S94-I96 PolarHBondContact O-N 3.22Å
95C54.8Low61.3Low130 Ų13095.6 Ų95.688%0.87852%0.524SS*.SBendtrans-74.41.6174.7-56.60000113.1
96I55.9Low60.3Low113 Ų113101.4 Ų101.458%0.57954%0.541SS*.  trans-95.6105.4-174.8-57.8177.2000109S94 K98S94-I96 PolarHBondContact O-N 3.22Å; I96-K98 VanDerWaalsContact CG2-O 3.26Å; I96-K98 WeakPolarHBondContact CG2-O 3.37Å
97T52.4Low59.5Low124 Ų124102.3 Ų102.376%0.76155%0.553SS**SBendtrans-89-13.3176.751.50000113.1
98K54.8Low58.9Low139 Ų139100.2 Ų100.260%0.60454%0.543SS*.SBendtrans-145.8123.1-178.7-164.2176.6-177.2-177.80110.1I96 H100I96-K98 VanDerWaalsContact CG2-O 3.26Å; I96-K98 WeakPolarHBondContact CG2-O 3.37Å; K98-H100 PolarHBondContact O-N 3.17Å; K98-H100 VanDerWaalsContact O-N 3.15Å
99L53Low59Low93 Ų93104.1 Ų104.149%0.48756%0.563SS.*  trans-78.196171.2-79.1162.3000108.3F101 L102L99-F101 PolarHBondContact O-N 3.28Å; L99-F101 VanDerWaalsContact O-N 3.1Å; L99-L102 HydrophobicContact CB-CB 4.33Å; L99-L102 HydrophobicContact CD1-CD1 4.29Å; L99-L102 CarbonylContact O-C 3.18Å; L99-L102 PolarHBondContact O-N 3.3Å; L99-L102 VanDerWaalsContact O-N 3.09Å
100H52.5Low59.2Low144 Ų144104.6 Ų104.667%0.66757%0.571SS**THydrogen-bonded Turntrans-60.2-19.6-175.5-110.7-85.2000114.6K98K98-H100 PolarHBondContact O-N 3.17Å; K98-H100 VanDerWaalsContact O-N 3.15Å
101F52.6Low59.3Low208 Ų208109.7 Ų109.791%0.91260%0.596SS**THydrogen-bonded Turntrans-97.4-1.5-179.8-62.4-76.5000114L99L99-F101 PolarHBondContact O-N 3.28Å; L99-F101 VanDerWaalsContact O-N 3.1Å
102L49.7Very low59.5Low84 Ų84112.6 Ų112.644%0.4461%0.608SS.*SBendtrans-124.863171.5-72.2163.2000106.6L99 T104 L116L99-L102 HydrophobicContact CB-CB 4.33Å; L99-L102 HydrophobicContact CD1-CD1 4.29Å; L99-L102 CarbonylContact O-C 3.18Å; L99-L102 PolarHBondContact O-N 3.3Å; L99-L102 VanDerWaalsContact O-N 3.09Å; L102-T104 PolarHBondContact O-N 2.97Å; L102-L116 HydrophobicContact CD1-CD1 4.07Å; L102-L116 HydrophobicContact CD1-CD2 4.48Å
103S47.5Very low59.9Low59 Ų59109.7 Ų109.741%0.41358%0.584SS.*  trans-45.6129.4164.7-62.60000107.1D105S103-D105 WeakPolarHBondContact CB-OD2 3.19Å; S103-D105 PolarHBondContact O-N 3.45Å
104T53.1Low60.4Low110 Ų110106.9 Ų106.968%0.67557%0.573SS**  trans-59.849.5161.335.20000110.3L102L102-T104 PolarHBondContact O-N 2.97Å
105D53.4Low60.7Low94 Ų94110.1 Ų110.150%0.50358%0.58SS.*  trans-68.7141.1168-70.2-24.5000106.4S103 N107 V108 R113S103-D105 WeakPolarHBondContact CB-OD2 3.19Å; S103-D105 PolarHBondContact O-N 3.45Å; D105-N107 HydrophobicContact CB-CB 4.5Å; D105-N107 PolarHBondContact O-N 2.85Å; D105-V108 PolarHBondContact O-N 2.84Å; D105-V108 VanDerWaalsContact O-N 3.08Å; D105-R113 VanDerWaalsContact C-NH2 3.34Å; D105-R113 PolarHBondContact O-NH2 2.92Å
106E59.4Low61.4Low160 Ų160105.7 Ų105.775%0.74855%0.548SS*.THydrogen-bonded Turntrans-57.7-7176.1-62.1-64-177.800113.4R113E106-R113 IonicContact OE2-CZ 3.13Å; E106-R113 IonicContact OE2-NH1 3.8Å; E106-R113 PolarHBondContact OE2-NH1 2.97Å; E106-R113 IonicContact OE2-NH2 2.91Å; E106-R113 PolarHBondContact OE2-NH2 2.78Å
107N61.6Low62.1Low156 Ų156106.1 Ų106.183%0.83454%0.542SS*.THydrogen-bonded Turntrans-84.5-5.1176.9-62.7-25.3000114.5D105D105-N107 HydrophobicContact CB-CB 4.5Å; D105-N107 PolarHBondContact O-N 2.85Å
108V63Low63Low36 Ų36106.8 Ų106.822%0.21854%0.535CS..SBendtrans-86.1123.7174.3-177.50000109.9D105 M112D105-V108 PolarHBondContact O-N 2.84Å; D105-V108 VanDerWaalsContact O-N 3.08Å; V108-M112 HydrophobicContact CG1-CB 3.96Å; V108-M112 HydrophobicContact CG1-CG 3.96Å
109D71.2Confident63.6Low95 Ų95101.7 Ų101.751%0.50851%0.514SS..  trans-42.3125.3175.7-169.4-24.6000110.9E111 M112 R113D109-E111 PolarHBondContact O-N 3.4Å; D109-E111 PolarHBondContact OD1-N 3.38Å; D109-E111 VanDerWaalsContact OD1-N 3.1Å; D109-M112 HydrophobicContact CB-CB 4.32Å; D109-M112 WeakPolarHBondContact O-CB 3.26Å; D109-M112 PolarHBondContact O-N 3.12Å; D109-R113 PolarHBondContact O-N 3.34Å
110P75.6Confident64.2Low99 Ų99101.6 Ų101.664%0.64351%0.513SS*.Hα-helixtrans-51.7-30.7179.219.5-33.6000113.3R113 A114P110-R113 PolarHBondContact O-N 3.42Å; P110-A114 WeakPolarHBondContact O-CB 3.31Å; P110-A114 PolarHBondContact O-N 3Å
111E77.2Confident64.7Low151 Ų151102.4 Ų102.471%0.70651%0.51SS*.Hα-helixtrans-67.2-46.2176.9-168.1174.5-170.100111.9D109 R113 A114 F115D109-E111 PolarHBondContact O-N 3.4Å; D109-E111 PolarHBondContact OD1-N 3.38Å; D109-E111 VanDerWaalsContact OD1-N 3.1Å; E111-R113 VanDerWaalsContact C-N 3.32Å; E111-R113 PolarHBondContact O-N 3.3Å; E111-A114 PolarHBondContact O-N 2.96Å; E111-F115 WeakPolarHBondContact O-CB 3.43Å; E111-F115 PolarHBondContact O-N 3.3Å
112M72.7Confident65Low96 Ų9693.8 Ų93.847%0.47348%0.479SS..Hα-helixtrans-61.6-42174.9-177.363.272.900110.9V108 D109 A114 F115 L116V108-M112 HydrophobicContact CG1-CB 3.96Å; V108-M112 HydrophobicContact CG1-CG 3.96Å; D109-M112 HydrophobicContact CB-CB 4.32Å; D109-M112 WeakPolarHBondContact O-CB 3.26Å; D109-M112 PolarHBondContact O-N 3.12Å; M112-A114 VanDerWaalsContact C-N 3.34Å; M112-A114 PolarHBondContact O-N 3.36Å; M112-F115 PolarHBondContact O-N 3.29Å; M112-F115 HydrophobicContact SD-CD1 4.31Å; M112-L116 HydrophobicContact CG-CD1 4.12Å; M112-L116 HydrophobicContact CG-CG 4.39Å; M112-L116 WeakPolarHBondContact O-CB 3.29Å; M112-L116 VanDerWaalsContact O-CG 3.32Å; M112-L116 WeakPolarHBondContact O-CG 3.37Å; M112-L116 PolarHBondContact O-N 3.19Å; M112-L116 HydrophobicContact SD-CG 4.33Å
113R69.2Low65Low50 Ų5093 Ų9319%0.18948%0.481CS..Hα-helixtrans-62.4-41177.3-166.3-177.9-79.8174.8-15.4111.4D105 E106 D109 P110 E111 R117D105-R113 VanDerWaalsContact C-NH2 3.34Å; D105-R113 PolarHBondContact O-NH2 2.92Å; E106-R113 IonicContact OE2-CZ 3.13Å; E106-R113 IonicContact OE2-NH1 3.8Å; E106-R113 PolarHBondContact OE2-NH1 2.97Å; E106-R113 IonicContact OE2-NH2 2.91Å; E106-R113 PolarHBondContact OE2-NH2 2.78Å; D109-R113 PolarHBondContact O-N 3.34Å; P110-R113 PolarHBondContact O-N 3.42Å; E111-R113 VanDerWaalsContact C-N 3.32Å; E111-R113 PolarHBondContact O-N 3.3Å; R113-R117 WeakPolarHBondContact O-CG 3.41Å; R113-R117 PolarHBondContact O-N 3.42Å
114A73.9Confident65.3Low52 Ų52100.5 Ų100.543%0.4350%0.5SS..Hα-helixtrans-66-41.5174.700000112.2P110 E111 M112 R117 K118P110-A114 WeakPolarHBondContact O-CB 3.31Å; P110-A114 PolarHBondContact O-N 3Å; E111-A114 PolarHBondContact O-N 2.96Å; M112-A114 VanDerWaalsContact C-N 3.34Å; M112-A114 PolarHBondContact O-N 3.36Å; A114-R117 PolarHBondContact O-N 2.9Å; A114-K118 WeakPolarHBondContact O-CB 3.25Å; A114-K118 PolarHBondContact O-N 2.97Å
115F71.8Confident65.2Low119 Ų119100.2 Ų100.252%0.52250%0.5SS..Hα-helixtrans-62.6-47.5176.2178.9-105.9000112.4E111 M112 R117 K118 I119E111-F115 WeakPolarHBondContact O-CB 3.43Å; E111-F115 PolarHBondContact O-N 3.3Å; M112-F115 PolarHBondContact O-N 3.29Å; M112-F115 HydrophobicContact SD-CD1 4.31Å; F115-R117 PolarHBondContact O-N 3.41Å; F115-K118 WeakPolarHBondContact O-CB 3.02Å; F115-K118 PolarHBondContact O-N 2.95Å; F115-K118 VanDerWaalsContact O-N 3.13Å; F115-I119 HydrophobicContact CD1-CD1 3.73Å; F115-I119 HydrophobicContact CE1-CD1 3.21Å; F115-I119 HydrophobicContact CE1-CG1 4.35Å; F115-I119 HydrophobicContact CE2-CD1 4.2Å; F115-I119 HydrophobicContact CG-CD1 4.42Å; F115-I119 HydrophobicContact CZ-CD1 3.49Å; F115-I119 VanDerWaalsContact CZ-CD1 3.49Å; F115-I119 HydrophobicContact CZ-CG1 4.32Å; F115-I119 PolarHBondContact O-N 3.05Å
116L69.5Low65.1Low37 Ų3798.2 Ų98.219%0.19449%0.491CS..Hα-helixtrans-61.6-43.1176.2-70.1174.4000111.6L102 M112 K118 I119 I120L102-L116 HydrophobicContact CD1-CD1 4.07Å; L102-L116 HydrophobicContact CD1-CD2 4.48Å; M112-L116 HydrophobicContact CG-CD1 4.12Å; M112-L116 HydrophobicContact CG-CG 4.39Å; M112-L116 WeakPolarHBondContact O-CB 3.29Å; M112-L116 VanDerWaalsContact O-CG 3.32Å; M112-L116 WeakPolarHBondContact O-CG 3.37Å; M112-L116 PolarHBondContact O-N 3.19Å; M112-L116 HydrophobicContact SD-CG 4.33Å; L116-K118 VanDerWaalsContact C-N 3.31Å; L116-K118 PolarHBondContact O-N 3.06Å; L116-I119 PolarHBondContact O-N 2.79Å; L116-I120 VanDerWaalsContact O-CG1 3.29Å; L116-I120 WeakPolarHBondContact O-CG1 3.3Å; L116-I120 PolarHBondContact O-N 3.27Å
117R69Low64.8Low123 Ų12399.5 Ų99.546%0.46450%0.498SS..Hα-helixtrans-59.8-40.8173.5-76.5-171-137.4140.5-2111.9R113 A114 F115 I119 I120 R121R113-R117 WeakPolarHBondContact O-CG 3.41Å; R113-R117 PolarHBondContact O-N 3.42Å; A114-R117 PolarHBondContact O-N 2.9Å; F115-R117 PolarHBondContact O-N 3.41Å; R117-I119 VanDerWaalsContact C-N 3.34Å; R117-I120 PolarHBondContact O-N 3.02Å; R117-R121 WeakPolarHBondContact O-CB 3.29Å; R117-R121 VanDerWaalsContact O-CG 3.23Å; R117-R121 WeakPolarHBondContact O-CG 3.47Å; R117-R121 PolarHBondContact O-N 2.88Å
118K71.4Confident64.5Low138 Ų13898.2 Ų98.260%0.649%0.49SS*.Hα-helixtrans-65.2-36.9177.5-175.8179.1179.7178.70112.1A114 F115 L116 G122A114-K118 WeakPolarHBondContact O-CB 3.25Å; A114-K118 PolarHBondContact O-N 2.97Å; F115-K118 WeakPolarHBondContact O-CB 3.02Å; F115-K118 PolarHBondContact O-N 2.95Å; F115-K118 VanDerWaalsContact O-N 3.13Å; L116-K118 VanDerWaalsContact C-N 3.31Å; L116-K118 PolarHBondContact O-N 3.06Å; K118-G122 CarbonylContact O-C 3.57Å; K118-G122 PolarHBondContact O-N 3.34Å
119I68Low64.5Low32 Ų3297.8 Ų97.816%0.16449%0.489CS..Hα-helixtrans-65.4-51.9173.4-76.7168.9000110.8I87 S88 V91 F115 L116 R117 G122I87-I119 HydrophobicContact CB-CG2 4.35Å; I87-I119 HydrophobicContact CG1-CG2 4.16Å; I87-I119 HydrophobicContact CG2-CB 4.34Å; I87-I119 HydrophobicContact CG2-CD1 4.06Å; I87-I119 HydrophobicContact CG2-CG1 4.01Å; I87-I119 HydrophobicContact CG2-CG2 3.46Å; I87-I119 VanDerWaalsContact CG2-CG2 3.46Å; S88-I119 WeakPolarHBondContact CA-O 3.49Å; S88-I119 WeakPolarHBondContact CB-O 3.49Å; V91-I119 HydrophobicContact CG2-CG2 4.42Å; F115-I119 HydrophobicContact CD1-CD1 3.73Å; F115-I119 HydrophobicContact CE1-CD1 3.21Å; F115-I119 HydrophobicContact CE1-CG1 4.35Å; F115-I119 HydrophobicContact CE2-CD1 4.2Å; F115-I119 HydrophobicContact CG-CD1 4.42Å; F115-I119 HydrophobicContact CZ-CD1 3.49Å; F115-I119 VanDerWaalsContact CZ-CD1 3.49Å; F115-I119 HydrophobicContact CZ-CG1 4.32Å; F115-I119 PolarHBondContact O-N 3.05Å; L116-I119 PolarHBondContact O-N 2.79Å; R117-I119 VanDerWaalsContact C-N 3.34Å; I119-G122 PolarHBondContact O-N 3.08Å
120I65.5Low64.4Low91 Ų9195 Ų9547%0.46747%0.474SS..Hα-helixtrans-66.8-41.4-173.8-66.5165.6000111.2V91 L116 R117 G122V91-I120 HydrophobicContact CG1-CG2 4.27Å; L116-I120 VanDerWaalsContact O-CG1 3.29Å; L116-I120 WeakPolarHBondContact O-CG1 3.3Å; L116-I120 PolarHBondContact O-N 3.27Å; R117-I120 PolarHBondContact O-N 3.02Å; I120-G122 VanDerWaalsContact C-N 3.27Å; I120-G122 PolarHBondContact O-N 3.33Å
121R63.2Low63.9Low161 Ų16190.7 Ų90.761%0.60845%0.445SS*.Hα-helixtrans-79.2-8.8-178.1-65.4176.2176.7-177.4-3.2113.6R117 T297R117-R121 WeakPolarHBondContact O-CB 3.29Å; R117-R121 VanDerWaalsContact O-CG 3.23Å; R117-R121 WeakPolarHBondContact O-CG 3.47Å; R117-R121 PolarHBondContact O-N 2.88Å; R121-T297 HydrophobicContact CB-CG2 4.46Å
122G58.1Low63.2Low26 Ų2689.9 Ų89.927%0.26844%0.441SS..  trans72.2150.5-172.300000112.8K118 I119 I120 R124K118-G122 CarbonylContact O-C 3.57Å; K118-G122 PolarHBondContact O-N 3.34Å; I119-G122 PolarHBondContact O-N 3.08Å; I120-G122 VanDerWaalsContact C-N 3.27Å; I120-G122 PolarHBondContact O-N 3.33Å; G122-R124 VanDerWaalsContact C-N 3.27Å; G122-R124 PolarHBondContact O-N 2.97Å
123S51.3Low62.2Low68 Ų6890.7 Ų90.748%0.47644%0.439SS..SBendtrans-88.324.4-177.298.20000114P125S123-P125 WeakPolarHBondContact O-CD 3.38Å
124R53.1Low61.3Low216 Ų21697.9 Ų97.982%0.81547%0.466SS*.  trans-9296.7175.4-80.6-174.7177.7-176.2-0.2109.1G122 T126G122-R124 VanDerWaalsContact C-N 3.27Å; G122-R124 PolarHBondContact O-N 2.97Å; R124-T126 PolarHBondContact O-N 2.97Å
125P51.6Low59.8Low104 Ų104106.7 Ų106.768%0.67549%0.488SS*.  trans-59.8132.9160.527.3-32.2000107.1S123 Q127S123-P125 WeakPolarHBondContact O-CD 3.38Å; P125-Q127 PolarHBondContact O-N 3.02Å
126T51.1Low58.4Low52 Ų52107.9 Ų107.932%0.31950%0.5SS..  trans-50.4112.416431.90000107.5R124 N128 H293R124-T126 PolarHBondContact O-N 2.97Å; T126-N128 PolarHBondContact O-N 2.79Å; T126-H293 WeakPolarHBondContact CG2-CD2 3.41Å
127Q52.5Low57Low188 Ų188109.6 Ų109.688%0.87952%0.515SS*.SBendtrans-63109.3173.3-72-175.6-17.500106.5P125P125-Q127 PolarHBondContact O-N 3.02Å
128N55.3Low55.4Low128 Ų128112.5 Ų112.568%0.68453%0.531SS*.SBendtrans53.378.9177.3-58.9-23.4000114.5T126 L130T126-N128 PolarHBondContact O-N 2.79Å; N128-L130 PolarHBondContact O-N 3.43Å
129P64.1Low53.8Low28 Ų28111.3 Ų111.318%0.18254%0.538CS..  trans-58.5123.217326-33.2000110.1Q132 E290P129-Q132 HydrophobicContact CB-CB 4.37Å; P129-Q132 HydrophobicContact CB-CG 3.84Å; P129-Q132 HydrophobicContact CG-CB 4.19Å; P129-Q132 HydrophobicContact CG-CG 3.58Å; P129-Q132 VanDerWaalsContact CG-NE2 3.27Å; P129-Q132 VanDerWaalsContact CG-OE1 3.3Å; P129-E290 WeakPolarHBondContact CA-OE1 3.44Å; P129-E290 VanDerWaalsContact CB-OE1 3.31Å; P129-E290 WeakPolarHBondContact CB-OE1 3.37Å
130L69Low52.5Low36 Ų36117 Ų11719%0.18857%0.568CS.*SBendtrans-79.9-31.1178.8-55.1169.8000110N128 Q132 L276 K279 V282 M286 L287 E290N128-L130 PolarHBondContact O-N 3.43Å; L130-Q132 VanDerWaalsContact C-N 3.34Å; L130-Q132 PolarHBondContact O-N 2.92Å; L130-L276 HydrophobicContact CB-CD2 4.38Å; L130-K279 HydrophobicContact CD2-CD 4.26Å; L130-V282 HydrophobicContact CD1-CG1 3.9Å; L130-M286 HydrophobicContact CD1-CE 3.81Å; L130-L287 HydrophobicContact CB-CD2 4.04Å; L130-L287 HydrophobicContact CD1-CD2 4.2Å; L130-E290 WeakPolarHBondContact CA-OE2 3.21Å; L130-E290 WeakPolarHBondContact CB-OE2 3.48Å; L130-E290 PolarHBondContact N-OE1 3.5Å; L130-E290 PolarHBondContact N-OE2 3.42Å
131L65Low51.3Low9 Ų9120.4 Ų120.45%0.04758%0.582CS.*SBendtrans-95.156.4175.6-60.2170.9000110.7L248 L276 L287 E290 V291 K294L131-L248 HydrophobicContact CD2-CB 4.18Å; L131-L276 HydrophobicContact CD2-CD2 3.76Å; L131-L287 HydrophobicContact CD1-CB 4.48Å; L131-L287 HydrophobicContact CD1-CD2 4.36Å; L131-L287 HydrophobicContact CD2-CD2 4.04Å; L131-L287 HydrophobicContact CG-CD2 3.98Å; L131-E290 PolarHBondContact N-OE1 3.31Å; L131-E290 PolarHBondContact N-OE2 3.49Å; L131-V291 HydrophobicContact CD1-CG2 3.68Å; L131-K294 PolarHBondContact O-NZ 2.87Å
132Q61.4Low50.2Low133 Ų133118.9 Ų118.962%0.62159%0.591SS**  trans-113.3125.2166.8-99-174.70.800109.8P129 L130 R134P129-Q132 HydrophobicContact CB-CB 4.37Å; P129-Q132 HydrophobicContact CB-CG 3.84Å; P129-Q132 HydrophobicContact CG-CB 4.19Å; P129-Q132 HydrophobicContact CG-CG 3.58Å; P129-Q132 VanDerWaalsContact CG-NE2 3.27Å; P129-Q132 VanDerWaalsContact CG-OE1 3.3Å; L130-Q132 VanDerWaalsContact C-N 3.34Å; L130-Q132 PolarHBondContact O-N 2.92Å; Q132-R134 PolarHBondContact O-N 3.41Å
133R52.9Low49.7Very low114 Ų114123.9 Ų123.943%0.4361%0.605SS.*  trans-52.8124.6175.8-169.6172.2180171.9-0.2110R135 D252R133-R135 PolarHBondContact O-N 3.02Å; R133-D252 IonicContact NH1-OD1 3.69Å; R133-D252 IonicContact NH1-OD2 3.67Å; R133-D252 PolarHBondContact NH1-OD2 3.45Å
134R49.8Very low49.5Very low200 Ų200125.8 Ų125.876%0.75561%0.614SS**  trans-59.7117.9160.1-85.9-173.8173.7-176.9-1.7106.4Q132 D136Q132-R134 PolarHBondContact O-N 3.41Å; R134-D136 PolarHBondContact O-N 3.34Å
135R42Very low49.2Very low238 Ų238116.3 Ų116.390%0.89858%0.58SS**THydrogen-bonded Turntrans-63.64.1-174.5-79.3-175.4-167.6169.14.3115R133R133-R135 PolarHBondContact O-N 3.02Å
136D42.2Very low49.2Very low144 Ų144114 Ų11477%0.7756%0.564SS**THydrogen-bonded Turntrans-94.82.2-166.5-56-37.6000114.6R134R134-D136 PolarHBondContact O-N 3.34Å
137S40.2Very low49.1Very low73 Ų73115.5 Ų115.551%0.5158%0.582SS.*SBendtrans-91.9109.5178.9-49.10000111.5
138K35.3Very low49Very low183 Ų183109.4 Ų109.480%0.79655%0.553SS**  trans-42.1146.1171.9-70.5177176.9178.60112.3D140K138-D140 PolarHBondContact O-N 3.05Å
139P38.2Very low48.7Very low114 Ų114103.4 Ų103.474%0.7452%0.521SS*.THydrogen-bonded Turntrans-68.56.6-170.827.2-34.1000116.6
140D39.9Very low47.8Very low150 Ų150108.3 Ų108.380%0.80254%0.536SS*.THydrogen-bonded Turntrans-103.112.1-164.3-88.6-18.7000117.1K138K138-D140 PolarHBondContact O-N 3.05Å
141Q41.9Very low46.4Very low163 Ų163107.9 Ų107.976%0.76254%0.54SS*.  trans-136.776172.7-67.2-16941.600112K143Q141-K143 VanDerWaalsContact C-N 3.33Å; Q141-K143 PolarHBondContact O-N 3.38Å
142V39.6Very low45.4Very low130 Ų130110.1 Ų110.179%0.78855%0.551SS**  trans-73.191.1165.4-177.80000107.8T144V142-T144 PolarHBondContact O-N 3.18Å
143K48.1Very low44.3Very low130 Ų130104 Ų10457%0.56552%0.523SS*.  trans-61.6109.4167.8-71178.6-175.9169.60107.5Q141 L145Q141-K143 VanDerWaalsContact C-N 3.33Å; Q141-K143 PolarHBondContact O-N 3.38Å; K143-L145 PolarHBondContact O-N 3.21Å
144T45.7Very low43.7Very low109 Ų109104 Ų10467%0.66953%0.528SS*.PPolyproline II helixtrans-65.2122.6177.3-58.30000108V142V142-T144 PolarHBondContact O-N 3.18Å
145L48.4Very low43.2Very low17 Ų17103.2 Ų103.29%0.08953%0.525CS..PPolyproline II helixtrans-49.3135.9175.9-76171.3000110.5K143 A147 V149 L247 E256 I260K143-L145 PolarHBondContact O-N 3.21Å; L145-A147 PolarHBondContact O-N 2.9Å; L145-V149 HydrophobicContact CD2-CG1 4.49Å; L145-L247 HydrophobicContact CD2-CD1 3.65Å; L145-L247 HydrophobicContact CD2-CD2 3.35Å; L145-L247 HydrophobicContact CD2-CG 3.4Å; L145-E256 HydrophobicContact CD1-CB 3.74Å; L145-E256 HydrophobicContact CD1-CG 3.53Å; L145-E256 VanDerWaalsContact CD1-OE1 3.28Å; L145-E256 WeakPolarHBondContact CD1-OE1 3.42Å; L145-E256 WeakPolarHBondContact CD1-OE2 3.34Å; L145-I260 HydrophobicContact CD2-CD1 4.16Å
146P50.7Low43.5Very low54 Ų5493.3 Ų93.335%0.35149%0.487SS..PPolyproline II helixtrans-50.5133.2171.8-27.135.3000110.3F148 V149 R150P146-F148 HydrophobicContact CB-CD1 3.36Å; P146-F148 HydrophobicContact CB-CE1 3.29Å; P146-F148 HydrophobicContact CB-CG 4.45Å; P146-F148 HydrophobicContact CB-CZ 4.35Å; P146-F148 HydrophobicContact CG-CD1 4.41Å; P146-F148 HydrophobicContact CG-CE1 3.87Å; P146-F148 PolarHBondContact O-N 3.22Å; P146-V149 PolarHBondContact O-N 3.49Å; P146-R150 PolarHBondContact O-N 2.94Å
147A49.1Very low43.6Very low84 Ų8493.7 Ų93.769%0.69448%0.478SS*.Hα-helixtrans-54.4-23.7-174.200000113.5L145 R150 G151L145-A147 PolarHBondContact O-N 2.9Å; A147-R150 PolarHBondContact O-N 2.79Å; A147-G151 PolarHBondContact O-N 3.21Å
148F50.4Low43.4Very low60 Ų6092.7 Ų92.726%0.26347%0.471SS..Hα-helixtrans-65.9-39.6175.781.7-96.7000112.7P146 M152 V239 L244 F263P146-F148 HydrophobicContact CB-CD1 3.36Å; P146-F148 HydrophobicContact CB-CE1 3.29Å; P146-F148 HydrophobicContact CB-CG 4.45Å; P146-F148 HydrophobicContact CB-CZ 4.35Å; P146-F148 HydrophobicContact CG-CD1 4.41Å; P146-F148 HydrophobicContact CG-CE1 3.87Å; P146-F148 PolarHBondContact O-N 3.22Å; F148-M152 WeakPolarHBondContact O-CG 3.33Å; F148-M152 PolarHBondContact O-N 3.42Å; F148-M152 VanDerWaalsContact O-N 3.12Å; F148-V239 HydrophobicContact CE1-CG2 3.78Å; F148-V239 HydrophobicContact CZ-CB 4.46Å; F148-V239 HydrophobicContact CZ-CG1 4.22Å; F148-V239 HydrophobicContact CZ-CG2 3.89Å; F148-L244 HydrophobicContact CZ-CD2 4.3Å; F148-F263 HydrophobicContact CE2-CE2 4.48Å
149V49.9Very low43.7Very low3 Ų387.3 Ų87.32%0.01845%0.45CS..Hα-helixtrans-70.5-42.9176.7-1770000109.5L145 P146 G151 M152 S153 D259 I260L145-V149 HydrophobicContact CD2-CG1 4.49Å; P146-V149 PolarHBondContact O-N 3.49Å; V149-G151 VanDerWaalsContact C-N 3.32Å; V149-G151 PolarHBondContact O-N 2.97Å; V149-M152 WeakPolarHBondContact O-CB 3.4Å; V149-M152 PolarHBondContact O-N 2.9Å; V149-M152 VanDerWaalsContact O-N 3.12Å; V149-S153 PolarHBondContact O-N 3.12Å; V149-D259 HydrophobicContact CG1-CB 4.12Å; V149-I260 HydrophobicContact CG1-CD1 4.48Å; V149-I260 HydrophobicContact CG1-CG1 3.74Å
150R43.5Very low43.6Very low130 Ų13088.1 Ų88.149%0.49145%0.447SS..Hα-helixtrans-66.8-34.6178.6-150.9173.7-162.4171.32.7112.4P146 A147 M152 S153 Q154P146-R150 PolarHBondContact O-N 2.94Å; A147-R150 PolarHBondContact O-N 2.79Å; R150-M152 VanDerWaalsContact C-N 3.32Å; R150-S153 PolarHBondContact O-N 2.66Å; R150-Q154 WeakPolarHBondContact O-CG 3.26Å; R150-Q154 PolarHBondContact O-N 2.71Å
151G41.1Very low43.6Very low27 Ų2783.2 Ų83.228%0.27842%0.421SS..Hα-helixtrans-68.4-28.6172.800000113.3A147 V149 S153 R155A147-G151 PolarHBondContact O-N 3.21Å; V149-G151 VanDerWaalsContact C-N 3.32Å; V149-G151 PolarHBondContact O-N 2.97Å; G151-S153 VanDerWaalsContact C-N 3.32Å; G151-R155 WeakPolarHBondContact O-CD 3.35Å; G151-R155 WeakPolarHBondContact O-CG 3.32Å; G151-R155 PolarHBondContact O-N 3.12Å
152M42.5Very low43.3Very low56 Ų5680 Ų8028%0.27641%0.408SS..Hα-helixtrans-68.1-33.6170.5-74.7179.6159.100111.9F148 V149 R150 R156 D259 F263F148-M152 WeakPolarHBondContact O-CG 3.33Å; F148-M152 PolarHBondContact O-N 3.42Å; F148-M152 VanDerWaalsContact O-N 3.12Å; V149-M152 WeakPolarHBondContact O-CB 3.4Å; V149-M152 PolarHBondContact O-N 2.9Å; V149-M152 VanDerWaalsContact O-N 3.12Å; R150-M152 VanDerWaalsContact C-N 3.32Å; M152-R156 WeakPolarHBondContact O-CD 3.5Å; M152-R156 VanDerWaalsContact O-CG 3.29Å; M152-R156 WeakPolarHBondContact O-CG 3.48Å; M152-R156 PolarHBondContact O-NE 3.13Å; M152-D259 HydrophobicContact CB-CB 4.48Å; M152-D259 VanDerWaalsContact CB-OD2 3.29Å; M152-D259 WeakPolarHBondContact CB-OD2 3.05Å; M152-F263 HydrophobicContact CE-CD2 4.37Å
153S39.4Very low43.4Very low4 Ų478.2 Ų78.23%0.02840%0.4CS..Hα-helixtrans-80.9-44.6-176.51780000112.1V149 R150 G151 R155 R156 D259V149-S153 PolarHBondContact O-N 3.12Å; R150-S153 PolarHBondContact O-N 2.66Å; G151-S153 VanDerWaalsContact C-N 3.32Å; S153-R155 VanDerWaalsContact C-N 3.33Å; S153-R155 PolarHBondContact O-N 3.24Å; S153-R156 VanDerWaalsContact O-CB 3.3Å; S153-R156 WeakPolarHBondContact O-CB 3.43Å; S153-R156 PolarHBondContact O-N 3.35Å; S153-D259 WeakPolarHBondContact CA-OD2 3.06Å; S153-D259 VanDerWaalsContact CB-OD2 3.25Å; S153-D259 WeakPolarHBondContact CB-OD2 3.26Å; S153-D259 PolarHBondContact N-OD2 2.75Å
154Q39.1Very low43Very low116 Ų11677.9 Ų77.954%0.54240%0.404SS..Hα-helixtrans-63.2-36.8178.8-69.9-67.8-54.300112.9R150 R156 R157R150-Q154 WeakPolarHBondContact O-CG 3.26Å; R150-Q154 PolarHBondContact O-N 2.71Å; Q154-R156 PolarHBondContact O-N 3.06Å; Q154-R156 VanDerWaalsContact O-N 3.13Å; Q154-R157 PolarHBondContact O-N 3.12Å
155R40.6Very low42.6Very low183 Ų18377 Ų7769%0.69139%0.392SS*.THydrogen-bonded Turntrans-63.4-17175.6-74.4176.7-175.1177.53113.6G151 S153 S374G151-R155 WeakPolarHBondContact O-CD 3.35Å; G151-R155 WeakPolarHBondContact O-CG 3.32Å; G151-R155 PolarHBondContact O-N 3.12Å; S153-R155 VanDerWaalsContact C-N 3.33Å; S153-R155 PolarHBondContact O-N 3.24Å; R155-S374 VanDerWaalsContact O-CB 3.26Å; R155-S374 WeakPolarHBondContact O-CB 3.24Å
156R48.7Very low42.3Very low30 Ų3080.6 Ų80.611%0.11342%0.415CS..THydrogen-bonded Turntrans-82.7-17-179.7-61.4163.6-177.9-100.99.9113.3M152 S153 Q154 D259 E262 W302 Y306 K376M152-R156 WeakPolarHBondContact O-CD 3.5Å; M152-R156 VanDerWaalsContact O-CG 3.29Å; M152-R156 WeakPolarHBondContact O-CG 3.48Å; M152-R156 PolarHBondContact O-NE 3.13Å; S153-R156 VanDerWaalsContact O-CB 3.3Å; S153-R156 WeakPolarHBondContact O-CB 3.43Å; S153-R156 PolarHBondContact O-N 3.35Å; Q154-R156 PolarHBondContact O-N 3.06Å; Q154-R156 VanDerWaalsContact O-N 3.13Å; R156-D259 IonicContact CZ-OD1 2.82Å; R156-D259 IonicContact CZ-OD2 3.68Å; R156-D259 VanDerWaalsContact NE-CG 3.31Å; R156-D259 IonicContact NE-OD1 3.69Å; R156-D259 PolarHBondContact NE-OD1 3.26Å; R156-D259 IonicContact NE-OD2 3.3Å; R156-D259 PolarHBondContact NE-OD2 3.11Å; R156-D259 VanDerWaalsContact NE-OD2 3.12Å; R156-D259 IonicContact NH1-OD1 3.74Å; R156-D259 VanDerWaalsContact NH2-CG 3.3Å; R156-D259 IonicContact NH2-OD1 2.88Å; R156-D259 PolarHBondContact NH2-OD1 3.09Å; R156-D259 IonicContact NH2-OD2 2.93Å; R156-E262 IonicContact NH2-OE2 2.79Å; R156-E262 PolarHBondContact NH2-OE2 2.85Å; R156-W302 HydrophobicContact CB-CH2 4.48Å; R156-W302 HydrophobicContact CB-CZ3 4.31Å; R156-Y306 VanDerWaalsContact NH1-CD2 3.28Å; R156-Y306 PolarHBondContact NH1-OH 3.37Å; R156-Y306 VanDerWaalsContact NH2-CZ 3.34Å; R156-Y306 PolarHBondContact NH2-OH 2.87Å; R156-K376 HydrophobicContact CG-CD 4.22Å
157R43.2Very low41.7Very low152 Ų15281.1 Ų81.157%0.57442%0.424SS*.THydrogen-bonded Turntrans-103.5-26.7-172-73.2179.6156.5-149.1-9.2113.6Q154 E255Q154-R157 PolarHBondContact O-N 3.12Å; R157-E255 IonicContact CZ-OE1 2.66Å; R157-E255 IonicContact CZ-OE2 3.29Å; R157-E255 IonicContact NE-OE1 3.72Å; R157-E255 IonicContact NE-OE2 2.68Å; R157-E255 PolarHBondContact NE-OE2 2.82Å; R157-E255 VanDerWaalsContact NH2-CD 3.29Å; R157-E255 IonicContact NH2-OE1 2.71Å; R157-E255 PolarHBondContact NH2-OE1 3.3Å; R157-E255 IonicContact NH2-OE2 3.06Å; R157-E255 PolarHBondContact NH2-OE2 3.45Å; R157-E255 VanDerWaalsContact NH2-OE2 3.13Å
158S36.7Very low41.2Very low52 Ų5285.2 Ų85.236%0.36443%0.429SS..  trans-91.3112.4-179.459.80000110.7L160 S374S158-L160 PolarHBondContact O-N 3.21Å; S158-S374 WeakPolarHBondContact O-CB 3.46Å; S158-S374 PolarHBondContact O-OG 3.3Å
159M39.9Very low40.5Very low70 Ų7089 Ų8935%0.34545%0.452SS..  trans-72.980.1152.5-69.4-167.6-65.600107L161 V373 L421 M425M159-L161 PolarHBondContact O-N 3.14Å; M159-L161 VanDerWaalsContact O-N 3.14Å; M159-V373 HydrophobicContact CB-CG1 4Å; M159-V373 HydrophobicContact CG-CG1 3.61Å; M159-V373 HydrophobicContact SD-CG1 3.69Å; M159-L421 HydrophobicContact CE-CB 4.46Å; M159-M425 HydrophobicContact CE-CE 4.44Å; M159-M425 HydrophobicContact CE-SD 3.19Å; M159-M425 WeakPolarHBondContact CE-SD 3.42Å
160L37.4Very low39.7Very low131 Ų13197.5 Ų97.569%0.68649%0.489SS*.  trans-8095.4173.6-157.795.4000107.3S158S158-L160 PolarHBondContact O-N 3.21Å
161L40.1Very low39.2Very low47 Ų4797.4 Ų97.425%0.24651%0.505CS..  trans-85.2133171.4-70.2154.8000108.6M159 P163 V373 A422M159-L161 PolarHBondContact O-N 3.14Å; M159-L161 VanDerWaalsContact O-N 3.14Å; L161-P163 VanDerWaalsContact O-CD 3.32Å; L161-P163 WeakPolarHBondContact O-CD 3.37Å; L161-V373 HydrophobicContact CD2-CG2 3.57Å; L161-A422 HydrophobicContact CD1-CB 3.06Å; L161-A422 HydrophobicContact CG-CB 4.47Å
162D35.3Very low38.7Very low95 Ų95101.3 Ų101.351%0.50854%0.535SS..  trans-63.6118.6171.9-156.2-26.7000108.2N164 E165D162-N164 PolarHBondContact O-N 3.42Å; D162-E165 PolarHBondContact O-N 3.12Å; D162-E165 VanDerWaalsContact O-N 3.08Å
163P40.6Very low38.2Very low93 Ų93103.6 Ų103.660%0.60456%0.556SS**Hα-helixtrans-54.5-22.3-176.3-26.234000113.8L161 E165 T166L161-P163 VanDerWaalsContact O-CD 3.32Å; L161-P163 WeakPolarHBondContact O-CD 3.37Å; P163-E165 PolarHBondContact O-N 2.97Å; P163-T166 PolarHBondContact O-N 3.44Å; P163-T166 PolarHBondContact O-OG1 3.08Å
164N39.9Very low38Very low123 Ų123112.7 Ų112.766%0.65860%0.598SS**Hα-helixtrans-71.7-22.8-179.7-77.7-20.1000114.6D162D162-N164 PolarHBondContact O-N 3.42Å
165E38.6Very low37.7Very low90 Ų90110.5 Ų110.542%0.42161%0.607SS.*Hα-helixtrans-83.2-22.5177.9-67.5-175.3166.500112.3D162 P163 Q372D162-E165 PolarHBondContact O-N 3.12Å; D162-E165 VanDerWaalsContact O-N 3.08Å; P163-E165 PolarHBondContact O-N 2.97Å; E165-Q372 PolarHBondContact OE1-NE2 3.01Å
166T41Very low37.2Very low92 Ų92110.5 Ų110.556%0.56462%0.615SS**Hα-helixtrans-83.4-16.9176.255.70000114.1P163P163-T166 PolarHBondContact O-N 3.44Å; P163-T166 PolarHBondContact O-OG1 3.08Å
167A38.5Very low36.4Very low66 Ų66117.5 Ų117.555%0.54565%0.651SS.*G310 helixtrans-80.4-18-179.400000113.8N169A167-N169 PolarHBondContact O-N 3.08Å
168Q37.6Very low35.8Very low169 Ų169114.7 Ų114.779%0.7965%0.654SS**G310 helixtrans-85-1.1-177-67.6-166.9-23.200114.8
169N36.5Very low35.7Very low141 Ų141119.8 Ų119.875%0.75468%0.678SS**G310 helixtrans-112.939.4177.7-73.6-36.9000112.9A167A167-N169 PolarHBondContact O-N 3.08Å
170K33.4Very low35.5Very low181 Ų181121.3 Ų121.379%0.78770%0.701SS**  trans-86.6129.4162.4-89-174.1173.7-175.70109.1A172K170-A172 PolarHBondContact O-N 3.39Å; K170-A172 VanDerWaalsContact O-N 3.09Å
171P33.1Very low35.2Very low127 Ų127124.8 Ų124.883%0.82571%0.711SS**  trans-66.4112170.127.9-29.7000107.8S173P171-S173 PolarHBondContact O-N 3.41Å; P171-S173 VanDerWaalsContact O-N 3.1Å
172A30.5Very low35Very low110 Ų110128 Ų12891%0.90974%0.737SS**  trans-74.994.7173.300000109K170K170-A172 PolarHBondContact O-N 3.39Å; K170-A172 VanDerWaalsContact O-N 3.09Å
173S32.9Very low34.9Very low103 Ų103131.1 Ų131.172%0.7275%0.754SS**  trans-150.895.1158.1-173.70000107.4P171P171-S173 PolarHBondContact O-N 3.41Å; P171-S173 VanDerWaalsContact O-N 3.1Å
174E33.6Very low34.7Very low195 Ų195133.1 Ų133.191%0.91176%0.764SS**  trans178117.3144.2-99167-162.500110
175G32.4Very low34.4Very low71 Ų71137.1 Ų137.173%0.73277%0.77SS**  trans83.284.3143.200000119.1
176Q31.7Very low34.1Very low182 Ų182142.4 Ų142.485%0.8579%0.786SS**  36108.3125-71.6173.1-12.200119.1
177M30.9Very low34Very low177 Ų177145.7 Ų145.787%0.87280%0.795SS**  148.5125.596.2-103.717068.500111.5
178S31.2Very low33.8Very low93 Ų93148 Ų14865%0.6581%0.807SS**  trans-69.2159.6-178.751.90000113.7
179N34.6Very low33.8Very low160 Ų160143.7 Ų143.786%0.85681%0.808SS**  -169.2123.5111.6-89.4-13.1000112.7
180A35Very low33.9Very low101 Ų101141.8 Ų141.884%0.83581%0.805SS**  trans-85.5153.1171.600000111.1
181K32.1Very low34.2Very low204 Ų204140.7 Ų140.789%0.88781%0.808SS**  trans-46.1137.7173.7-61.8164.6174.61760113.5
182S36.6Very low34.7Very low115 Ų115139 Ų13980%0.80480%0.804SS**  -174.4117.8124.751.80000110.3
183D32.4Very low35.1Very low160 Ų160140.7 Ų140.786%0.85680%0.799SS**  trans-50.2134.2156-70.5-61.3000110.3
184V36.5Very low35.3Very low135 Ų135141 Ų14182%0.81880%0.801SS**  trans180108.7134165.10000108.1
185R34.2Very low35.5Very low207 Ų207135.5 Ų135.578%0.78180%0.796SS**  trans49.7111.7135.1-116.3171-171.7173.51.7120.2
186R32Very low35.6Very low202 Ų202143.6 Ų143.676%0.76281%0.805SS**  67120.5127.8-78.4-175.2-175.9171.4-1.2120.8
187H38.4Very low35.6Very low160 Ų160140.7 Ų140.774%0.74180%0.8SS**  trans80.1101.5141.1-68.3-60.1000120.8
188S34.3Very low35.8Very low116 Ų116137.1 Ų137.181%0.81179%0.792SS**  53.1125.1127.752.60000122
189G37.3Very low36.1Very low78 Ų78141.2 Ų141.280%0.80480%0.801SS**  trans146.897.8147.800000117.6
190S39.3Very low36.1Very low100 Ų100139.8 Ų139.870%0.69979%0.793SS**  trans-5.2142161.365.30000124.6
191N40.4Very low36.2Very low159 Ų159145.4 Ų145.485%0.8579%0.793SS**  trans61.6146.5132.4-60.9-8.4000120
192A42.6Very low36.3Very low90 Ų90143.3 Ų143.374%0.74479%0.792SS**  cis-175.1160.9-11.400000107.4
193D38.1Very low36.2Very low147 Ų147144.9 Ų144.979%0.78679%0.791SS**  trans97.4104.2142.1-132.325.1000122.5
194S38.1Very low36.1Very low109 Ų109144.5 Ų144.576%0.76279%0.789SS**  61.6133.9123.8-63.30000125
195G36.9Very low35.9Very low80 Ų80141.4 Ų141.483%0.82578%0.784SS**  trans156.4110.6147.400000117.2
196R34.5Very low35.7Very low240 Ų240139.6 Ų139.691%0.90679%0.788SS**  trans-66.5170.5171.8-65.1166.6158.3166.6-6.8111.8
197T33.4Very low35.7Very low122 Ų122135 Ų13575%0.74879%0.785SS**  cis178.9150.340.6-20.10000111.7
198S34.3Very low35.3Very low101 Ų101133.2 Ų133.271%0.70679%0.787SS**  trans73.2148.6136.656.30000126.6
199Q37.6Very low35.4Very low179 Ų179134.5 Ų134.584%0.83679%0.79SS**  trans87142.7161.5-72.3-179.6-29.400118.1
200D34Very low35.1Very low130 Ų130136 Ų13670%0.69579%0.786SS**  cis-175.4160.6-13.4-128.7-22.5000106.9
201R36.8Very low34.5Very low220 Ų220139.4 Ų139.483%0.8380%0.795SS**  trans85.8121.9156.4-65.6172.2-175.4-169.3-0.1124.4
202D34Very low34Very low160 Ų160139.2 Ų139.286%0.85679%0.793SS**  trans25.3122.3137.2-59.1-34.3000122.2
203D35.6Very low33.2Very low148 Ų148144.5 Ų144.579%0.79180%0.799SS**  -166.6152126.9-159.211.8000112.9
204N29.7Very low32.9Very low151 Ų151142.6 Ų142.681%0.80780%0.797SS**  trans-58.2142.5178.2-63.2-77.2000114.3
205G31.7Very low32.3Very low70 Ų70146.5 Ų146.572%0.72280%0.803SS**  trans178.5101.3166.600000113.5P207G205-P207 WeakPolarHBondContact O-CD 3.31Å
206I29.8Very low32.2Very low170 Ų170148.5 Ų148.587%0.87281%0.805SS**PPolyproline II helixtrans-70122.6166.7-58.7167.9000107.9
207P33.7Very low31.7Very low106 Ų106146.1 Ų146.169%0.68880%0.804SS**PPolyproline II helixtrans-94.2138.1166.531.6-21.3000110.5G205G205-P207 WeakPolarHBondContact O-CD 3.31Å
208P30.3Very low31.6Very low121 Ų121150 Ų15079%0.78681%0.814SS**PPolyproline II helixtrans-81.6140.6179.633.6-31.5000110.5
209V35.8Very low31.2Very low144 Ų144157.3 Ų157.387%0.87383%0.826SS**PPolyproline II helixtrans-85.3133.6177.9-162.20000110.1
210P30.1Very low30.7Very low110 Ų110152.6 Ų152.671%0.71483%0.826SS**PPolyproline II helixtrans-85.3141-163.2-5.425.2000113.9
211L27.7Very low30.4Very low170 Ų170152.1 Ų152.189%0.8983%0.832SS**PPolyproline II helixtrans-65.3129.4162-95.3136000110.7
212L29.8Very low30.1Very low156 Ų156146.4 Ų146.482%0.81782%0.824SS**  trans-146.8114157-107.2119.9000112.8
213K25.8Very low29.8Very low200 Ų200146.4 Ų146.487%0.8782%0.824SS**  trans-72.7141.4153.6-88.4170.6171.5171.30108.4
214S31.7Very low29.6Very low107 Ų107145.5 Ų145.575%0.74883%0.829SS**  trans-155.6128150.844.40000112.7
215Q25.8Very low29.5Very low191 Ų191143 Ų14389%0.89383%0.829SS**  trans-72.2147.8157.7-65.7171.1-1600108.7
216S33.2Very low29.2Very low123 Ų123145.7 Ų145.786%0.8684%0.836SS**  trans-160.5127.8153.6-70.30000111.5
217Q25.4Very low28.9Very low190 Ų190150.1 Ų150.189%0.88884%0.842SS**  trans-74.5148.1169.4-64.3165.5-6100110.4
218E31.1Very low28.8Very low203 Ų203149.7 Ų149.795%0.94984%0.841SS**  trans-144.7145.7145.9-78.5-154.614800112.2
219R26Very low29Very low254 Ų254150.5 Ų150.596%0.95885%0.846SS**  trans-93.5142.9-170.1-68.4177.3-177.5-168.90.6111.9
220G25.8Very low28.7Very low81 Ų81149.9 Ų149.984%0.83584%0.843SS**  84.6108.9127.800000120.3
221S29.4Very low28.6Very low119 Ų119155.8 Ų155.883%0.83285%0.851SS**  -174137.4107.7-157.90000110.6
222P29.4Very low28.7Very low101 Ų101158 Ų15866%0.65685%0.848SS**  trans-96.9164.1-169.538-32000113.3
223N28.3Very low28.7Very low160 Ų160158.2 Ų158.286%0.85685%0.85SS**  trans95.283.4165.5-52.2-21.2000117.1
224S31.8Very low29.1Very low129 Ų129155.1 Ų155.190%0.90284%0.842SS**  -158.2137.1128.5-159.40000110.5
225A26.8Very low29.4Very low97 Ų97157.6 Ų157.680%0.80285%0.846SS**  trans-75.2123.7-16300000113.4
226C26.3Very low30.1Very low128 Ų128155.6 Ų155.687%0.86584%0.835SS**  trans-139.8117155.1-100.80000108.6S228C226-S228 PolarHBondContact O-N 3.41Å
227R23.8Very low30.9Very low263 Ų263160.8 Ų160.899%0.99284%0.836SS**  trans-71.4112.1-179.6-78.4174.1170-179-3.2110.4
228S29.9Very low32.1Very low96 Ų96160.3 Ų160.367%0.67183%0.834SS**  trans-136.5128.7159.553.50000108.2C226 T230C226-S228 PolarHBondContact O-N 3.41Å; S228-T230 PolarHBondContact O-N 3.36Å; S228-T230 VanDerWaalsContact O-N 3.14Å
229P34.3Very low33.4Very low139 Ų139153.2 Ų153.290%0.90380%0.804SS**  trans-64.1121.8-170.5-11.222.9000111.1
230T29.8Very low35.2Very low131 Ų131146.9 Ų146.980%0.80479%0.785SS**  trans-40.9131.4177.3-27.50000113.7S228 R232S228-T230 PolarHBondContact O-N 3.36Å; S228-T230 VanDerWaalsContact O-N 3.14Å; T230-R232 PolarHBondContact O-N 3.48Å
231R28.4Very low37.4Very low233 Ų233144 Ų14488%0.87975%0.752SS**  trans-37.2118158.5-73174.7169.9-178.4-3.5111.1
232R30.6Very low39.6Very low218 Ų218142.1 Ų142.182%0.82374%0.736SS**  trans-110108151.9-77.1-174.4178.4127.9-1.7107.6T230 L234T230-R232 PolarHBondContact O-N 3.48Å; R232-L234 HydrophobicContact CB-CD1 4.37Å; R232-L234 HydrophobicContact CB-CG 4.47Å; R232-L234 PolarHBondContact O-N 3.34Å; R232-L234 VanDerWaalsContact O-N 3.14Å
233N28.4Very low42Very low160 Ų160142.6 Ų142.686%0.85673%0.729SS**  trans-62.3104.7159.1-74.3-33.2000106.5
234L35.2Very low44.4Very low134 Ų134135.1 Ų135.170%0.70269%0.689SS**  trans-106.2125.8171.5-85.6155.2000107.6R232 F236R232-L234 HydrophobicContact CB-CD1 4.37Å; R232-L234 HydrophobicContact CB-CG 4.47Å; R232-L234 PolarHBondContact O-N 3.34Å; R232-L234 VanDerWaalsContact O-N 3.14Å; L234-F236 WeakPolarHBondContact O-CD2 3.31Å; L234-F236 WeakPolarHBondContact O-CE2 3.25Å
235D37Very low46.7Very low159 Ų159129.5 Ų129.585%0.8565%0.649SS**  trans-70.6142.4-170.3-141.3-19.7000112.3R237D235-R237 PolarHBondContact O-N 3.21Å
236F41.3Very low49.3Very low150 Ų150129.2 Ų129.266%0.65864%0.635SS**THydrogen-bonded Turntrans-96.529.6-147.9-82.6-92000116.4L234L234-F236 WeakPolarHBondContact O-CD2 3.31Å; L234-F236 WeakPolarHBondContact O-CE2 3.25Å
237R49.8Very low51.9Low232 Ų232124 Ų12488%0.87560%0.598SS**THydrogen-bonded Turntrans-124.8-7.4-167.4-79.5-175170.4-170.8-2.7118.9D235D235-R237 PolarHBondContact O-N 3.21Å
238E50.8Low54.7Low180 Ų180111.5 Ų111.584%0.84155%0.551SS**  trans-12414.4-168.3-72.1-176.7168.900116.7Q240E238-Q240 PolarHBondContact O-N 2.89Å
239V58.6Low57Low54 Ų54109.7 Ų109.733%0.32753%0.533SS..  trans-68.9111.9170.7-176.20000108.5F148 C241 L244F148-V239 HydrophobicContact CE1-CG2 3.78Å; F148-V239 HydrophobicContact CZ-CB 4.46Å; F148-V239 HydrophobicContact CZ-CG1 4.22Å; F148-V239 HydrophobicContact CZ-CG2 3.89Å; V239-C241 PolarHBondContact O-N 3.41Å; V239-L244 HydrophobicContact CG1-CD1 3.88Å; V239-L244 HydrophobicContact CG1-CD2 4.16Å; V239-L244 HydrophobicContact CG1-CG 3.77Å
240Q64.4Low59.3Low120 Ų120106.2 Ų106.256%0.56151%0.507SS*.  trans-63.7129.8180-59.6-157.57.300109.3E238 T242 E243 L244E238-Q240 PolarHBondContact O-N 2.89Å; Q240-T242 VanDerWaalsContact CB-OG1 3.3Å; Q240-T242 WeakPolarHBondContact CB-OG1 3.47Å; Q240-T242 PolarHBondContact O-N 3.21Å; Q240-T242 PolarHBondContact OE1-OG1 3.28Å; Q240-E243 HydrophobicContact CB-CG 4.26Å; Q240-E243 PolarHBondContact O-N 3.31Å; Q240-L244 PolarHBondContact O-N 3.43Å
241C71.5Confident61.8Low20 Ų20100.4 Ų100.414%0.13547%0.471CS..Hα-helixtrans-59.9-21.4179.8-65.80000112.3V239 V245 L264 Q268 W272V239-C241 PolarHBondContact O-N 3.41Å; C241-V245 VanDerWaalsContact O-CG2 3.28Å; C241-V245 WeakPolarHBondContact O-CG2 3.36Å; C241-V245 PolarHBondContact O-N 2.92Å; C241-L264 HydrophobicContact CB-CD2 4.03Å; C241-Q268 HydrophobicContact CB-CG 4.37Å; C241-Q268 PolarHBondContact SG-NE2 3.07Å; C241-W272 HydrophobicContact CB-CH2 3.78Å; C241-W272 HydrophobicContact CB-CZ2 4.04Å; C241-W272 HydrophobicContact CB-CZ3 4.47Å
242T74.7Confident64.3Low80 Ų8094.7 Ų94.749%0.49146%0.458SS..Hα-helixtrans-65-46.417245.20000112.4Q240 L244 V245 D246Q240-T242 VanDerWaalsContact CB-OG1 3.3Å; Q240-T242 WeakPolarHBondContact CB-OG1 3.47Å; Q240-T242 PolarHBondContact O-N 3.21Å; Q240-T242 PolarHBondContact OE1-OG1 3.28Å; T242-L244 VanDerWaalsContact C-N 3.28Å; T242-L244 PolarHBondContact O-N 3.04Å; T242-V245 WeakPolarHBondContact O-CB 3.42Å; T242-V245 PolarHBondContact O-N 3.23Å; T242-V245 VanDerWaalsContact O-N 3.09Å; T242-D246 PolarHBondContact O-N 3.2Å; T242-D246 VanDerWaalsContact O-N 3.11Å
243E79.3Confident66.8Low112 Ų11288.6 Ų88.652%0.52344%0.442SS..Hα-helixtrans-63.3-36.4178.9-66.7175.5-164.700112Q240 V245 D246 L247Q240-E243 HydrophobicContact CB-CG 4.26Å; Q240-E243 PolarHBondContact O-N 3.31Å; E243-V245 VanDerWaalsContact C-N 3.31Å; E243-D246 PolarHBondContact O-N 2.98Å; E243-L247 WeakPolarHBondContact O-CB 3.23Å; E243-L247 PolarHBondContact O-N 3.06Å
244L78.9Confident69.6Low2 Ų281.4 Ų81.41%0.0140%0.403CS..Hα-helixtrans-67-33.8175.8-72.5166.6000112.3F148 V239 Q240 T242 L247 L248 I260 F263 L264F148-L244 HydrophobicContact CZ-CD2 4.3Å; V239-L244 HydrophobicContact CG1-CD1 3.88Å; V239-L244 HydrophobicContact CG1-CD2 4.16Å; V239-L244 HydrophobicContact CG1-CG 3.77Å; Q240-L244 PolarHBondContact O-N 3.43Å; T242-L244 VanDerWaalsContact C-N 3.28Å; T242-L244 PolarHBondContact O-N 3.04Å; L244-L247 HydrophobicContact CD2-CD2 4.25Å; L244-L247 WeakPolarHBondContact O-CB 3.4Å; L244-L247 PolarHBondContact O-N 3.12Å; L244-L248 WeakPolarHBondContact O-CG 3.5Å; L244-L248 PolarHBondContact O-N 2.93Å; L244-I260 HydrophobicContact CB-CG2 3.94Å; L244-I260 HydrophobicContact CD2-CG2 4.01Å; L244-F263 HydrophobicContact CD1-CD1 3.37Å; L244-F263 HydrophobicContact CD1-CE1 3.47Å; L244-F263 VanDerWaalsContact CD1-CE1 3.47Å; L244-L264 HydrophobicContact CB-CD2 4.09Å; L244-L264 HydrophobicContact CB-CG 4.45Å; L244-L264 HydrophobicContact CD1-CD2 4.07Å
245V80.5Confident71.9Confident11 Ų1175.8 Ų75.87%0.06737%0.373CS..Hα-helixtrans-68.6-38.8175.3170.60000110.8C241 T242 E243 L247 L248 L264 W272 T274 L276C241-V245 VanDerWaalsContact O-CG2 3.28Å; C241-V245 WeakPolarHBondContact O-CG2 3.36Å; C241-V245 PolarHBondContact O-N 2.92Å; T242-V245 WeakPolarHBondContact O-CB 3.42Å; T242-V245 PolarHBondContact O-N 3.23Å; T242-V245 VanDerWaalsContact O-N 3.09Å; E243-V245 VanDerWaalsContact C-N 3.31Å; V245-L247 VanDerWaalsContact C-N 3.35Å; V245-L248 WeakPolarHBondContact O-CB 3.3Å; V245-L248 PolarHBondContact O-N 2.95Å; V245-L264 HydrophobicContact CG2-CD1 4.34Å; V245-W272 HydrophobicContact CG2-CH2 3.93Å; V245-W272 HydrophobicContact CG2-CZ3 3.82Å; V245-T274 HydrophobicContact CG2-CG2 4.28Å; V245-L276 HydrophobicContact CG1-CD1 3.48Å; V245-L276 VanDerWaalsContact CG1-CD1 3.48Å
246D81.1Confident74.1Confident92 Ų9269.4 Ų69.449%0.49234%0.338SS..Hα-helixtrans-65.8-40.6173-67.6-26.4000111.3T242 E243 L248 L249 D250T242-D246 PolarHBondContact O-N 3.2Å; T242-D246 VanDerWaalsContact O-N 3.11Å; E243-D246 PolarHBondContact O-N 2.98Å; D246-L248 VanDerWaalsContact C-N 3.28Å; D246-L248 PolarHBondContact O-N 2.96Å; D246-L249 WeakPolarHBondContact O-CB 3.07Å; D246-L249 PolarHBondContact O-N 3.4Å; D246-D250 PolarHBondContact O-N 3.03Å
247L81.9Confident76.3Confident18 Ų1862.7 Ų62.79%0.09431%0.309CS..Hα-helixtrans-62.2-33.8176.8-160.860.8000112.8L145 E243 L244 V245 L249 D250 T251 I260L145-L247 HydrophobicContact CD2-CD1 3.65Å; L145-L247 HydrophobicContact CD2-CD2 3.35Å; L145-L247 HydrophobicContact CD2-CG 3.4Å; E243-L247 WeakPolarHBondContact O-CB 3.23Å; E243-L247 PolarHBondContact O-N 3.06Å; L244-L247 HydrophobicContact CD2-CD2 4.25Å; L244-L247 WeakPolarHBondContact O-CB 3.4Å; L244-L247 PolarHBondContact O-N 3.12Å; V245-L247 VanDerWaalsContact C-N 3.35Å; L247-L249 PolarHBondContact O-N 2.93Å; L247-D250 PolarHBondContact O-N 2.98Å; L247-T251 WeakPolarHBondContact O-CB 3.1Å; L247-T251 PolarHBondContact O-N 3.21Å; L247-T251 PolarHBondContact O-OG1 2.87Å; L247-I260 HydrophobicContact CB-CD1 4.25Å; L247-I260 HydrophobicContact CD2-CD1 3.9Å; L247-I260 HydrophobicContact CD2-CG1 4.44Å; L247-I260 HydrophobicContact CG-CD1 3.9Å
248L81.9Confident78.1Confident1 Ų151.8 Ų51.81%0.00527%0.268CS..Hα-helixtrans-61.3-32.3173.8-77.2172000112.5L131 L244 V245 D246 Q257 I260 L261 L264 L287L131-L248 HydrophobicContact CD2-CB 4.18Å; L244-L248 WeakPolarHBondContact O-CG 3.5Å; L244-L248 PolarHBondContact O-N 2.93Å; V245-L248 WeakPolarHBondContact O-CB 3.3Å; V245-L248 PolarHBondContact O-N 2.95Å; D246-L248 VanDerWaalsContact C-N 3.28Å; D246-L248 PolarHBondContact O-N 2.96Å; L248-Q257 HydrophobicContact CD2-CB 4.21Å; L248-Q257 HydrophobicContact CD2-CG 4.41Å; L248-I260 HydrophobicContact CD1-CG2 4.11Å; L248-I260 HydrophobicContact CD2-CB 3.7Å; L248-I260 HydrophobicContact CD2-CD1 4.12Å; L248-I260 HydrophobicContact CD2-CG2 3.66Å; L248-I260 HydrophobicContact CG-CB 4.22Å; L248-I260 HydrophobicContact CG-CG2 3.61Å; L248-L261 HydrophobicContact CD1-CD2 3.81Å; L248-L261 HydrophobicContact CD1-CG 4.46Å; L248-L261 HydrophobicContact CD2-CD2 4.3Å; L248-L261 HydrophobicContact CD2-CG 4.06Å; L248-L264 HydrophobicContact CD1-CD1 3.76Å; L248-L287 HydrophobicContact CD1-CD1 4.27Å
249L78.6Confident79.6Confident57 Ų5743.2 Ų43.230%0.29823%0.228SC..Hα-helixtrans-78.2-30.7177.5-65.2175000112.6D246 L247 L276D246-L249 WeakPolarHBondContact O-CB 3.07Å; D246-L249 PolarHBondContact O-N 3.4Å; L247-L249 PolarHBondContact O-N 2.93Å; L249-L276 HydrophobicContact CD1-CD1 3.99Å; L249-L276 HydrophobicContact CD2-CD1 3.75Å; L249-L276 HydrophobicContact CD2-CD2 4.1Å; L249-L276 HydrophobicContact CD2-CG 4.02Å; L249-L276 HydrophobicContact CG-CD1 3.74Å
250D82.1Confident80.9Confident66 Ų6640.7 Ų40.735%0.35321%0.213SC..Hα-helixtrans-80.8-22.3179.4-72.8-17.1000112.7D246 L247D246-D250 PolarHBondContact O-N 3.03Å; L247-D250 PolarHBondContact O-N 2.98Å
251T82.5Confident82Confident9 Ų935 Ų356%0.05519%0.187CC..  trans-85.7120.7-172.7-59.10000112.4L247 L253 E256 Q257L247-T251 WeakPolarHBondContact O-CB 3.1Å; L247-T251 PolarHBondContact O-N 3.21Å; L247-T251 PolarHBondContact O-OG1 2.87Å; T251-L253 HydrophobicContact CG2-CB 4.45Å; T251-E256 HydrophobicContact CG2-CB 3.47Å; T251-E256 VanDerWaalsContact CG2-CB 3.47Å; T251-Q257 HydrophobicContact CG2-CG 3.99Å; T251-Q257 PolarHBondContact O-NE2 3.32Å
252D80.6Confident82.6Confident113 Ų11335.8 Ų35.860%0.60419%0.188SC*.  trans-87.3-19.5176.1-66.6-38.7000113.3R133R133-D252 IonicContact NH1-OD1 3.69Å; R133-D252 IonicContact NH1-OD2 3.67Å; R133-D252 PolarHBondContact NH1-OD2 3.45Å
253L84.6Confident83Confident91 Ų9133.5 Ų33.548%0.47617%0.171SC..  trans-86.5118.3-177.2-67.7175.2000111.8T251 E255 E256 Q257T251-L253 HydrophobicContact CG2-CB 4.45Å; L253-E255 PolarHBondContact O-N 3.44Å; L253-E255 VanDerWaalsContact O-N 3.11Å; L253-E256 HydrophobicContact CB-CB 4.22Å; L253-E256 HydrophobicContact CB-CG 4.1Å; L253-E256 HydrophobicContact CD1-CG 4.36Å; L253-E256 WeakPolarHBondContact CD1-OE2 3.33Å; L253-E256 PolarHBondContact O-N 2.82Å; L253-E256 VanDerWaalsContact O-N 3.09Å; L253-Q257 PolarHBondContact O-N 3.48Å
254L85.9Confident83.3Confident8 Ų828.1 Ų28.14%0.04215%0.146CC..Hα-helixtrans-55.5-30.8176-66.6-175.8000113.9A258 K294 E298 L303L254-A258 WeakPolarHBondContact O-CB 3.16Å; L254-A258 PolarHBondContact O-N 3.45Å; L254-K294 HydrophobicContact CD1-CB 3.79Å; L254-K294 HydrophobicContact CD2-CB 3.81Å; L254-K294 HydrophobicContact CD2-CD 3.69Å; L254-K294 HydrophobicContact CD2-CG 4.41Å; L254-K294 HydrophobicContact CG-CB 4.5Å; L254-E298 HydrophobicContact CD1-CG 4.24Å; L254-E298 WeakPolarHBondContact CD1-OE1 3.29Å; L254-E298 VanDerWaalsContact CD1-OE2 3.31Å; L254-E298 WeakPolarHBondContact CD1-OE2 3.43Å; L254-L303 HydrophobicContact CB-CD2 3.72Å
255E84.5Confident83.8Confident17 Ų1730 Ų308%0.07915%0.153CC..Hα-helixtrans-68-42.6-179.7-49.1-169.9173.500110.7R157 L253 A258 D259 W302R157-E255 IonicContact CZ-OE1 2.66Å; R157-E255 IonicContact CZ-OE2 3.29Å; R157-E255 IonicContact NE-OE1 3.72Å; R157-E255 IonicContact NE-OE2 2.68Å; R157-E255 PolarHBondContact NE-OE2 2.82Å; R157-E255 VanDerWaalsContact NH2-CD 3.29Å; R157-E255 IonicContact NH2-OE1 2.71Å; R157-E255 PolarHBondContact NH2-OE1 3.3Å; R157-E255 IonicContact NH2-OE2 3.06Å; R157-E255 PolarHBondContact NH2-OE2 3.45Å; R157-E255 VanDerWaalsContact NH2-OE2 3.13Å; L253-E255 PolarHBondContact O-N 3.44Å; L253-E255 VanDerWaalsContact O-N 3.11Å; E255-A258 PolarHBondContact O-N 2.88Å; E255-D259 PolarHBondContact O-N 2.86Å; E255-W302 HydrophobicContact CB-CH2 4.2Å; E255-W302 HydrophobicContact CB-CZ2 3.98Å; E255-W302 HydrophobicContact CG-CH2 4.31Å; E255-W302 HydrophobicContact CG-CZ2 3.62Å
256E83.7Confident83.9Confident24 Ų2434 Ų3411%0.11218%0.181CC..Hα-helixtrans-73.2-38.3178.5-67.3174.1162.500111.1L145 T251 L253 A258 D259 I260L145-E256 HydrophobicContact CD1-CB 3.74Å; L145-E256 HydrophobicContact CD1-CG 3.53Å; L145-E256 VanDerWaalsContact CD1-OE1 3.28Å; L145-E256 WeakPolarHBondContact CD1-OE1 3.42Å; L145-E256 WeakPolarHBondContact CD1-OE2 3.34Å; T251-E256 HydrophobicContact CG2-CB 3.47Å; T251-E256 VanDerWaalsContact CG2-CB 3.47Å; L253-E256 HydrophobicContact CB-CB 4.22Å; L253-E256 HydrophobicContact CB-CG 4.1Å; L253-E256 HydrophobicContact CD1-CG 4.36Å; L253-E256 WeakPolarHBondContact CD1-OE2 3.33Å; L253-E256 PolarHBondContact O-N 2.82Å; L253-E256 VanDerWaalsContact O-N 3.09Å; E256-A258 VanDerWaalsContact C-N 3.32Å; E256-A258 PolarHBondContact O-N 3.17Å; E256-D259 PolarHBondContact O-N 3.07Å; E256-I260 WeakPolarHBondContact O-CG1 3.19Å; E256-I260 PolarHBondContact O-N 2.73Å
257Q87.5Confident84Confident10 Ų1034.9 Ų34.95%0.04718%0.181CC..Hα-helixtrans-56.9-45.5171.1-69.6-179.4-5.100111.4L248 T251 L253 D259 I260 L261 V291L248-Q257 HydrophobicContact CD2-CB 4.21Å; L248-Q257 HydrophobicContact CD2-CG 4.41Å; T251-Q257 HydrophobicContact CG2-CG 3.99Å; T251-Q257 PolarHBondContact O-NE2 3.32Å; L253-Q257 PolarHBondContact O-N 3.48Å; Q257-D259 VanDerWaalsContact C-N 3.28Å; Q257-D259 PolarHBondContact O-N 3.01Å; Q257-I260 PolarHBondContact O-N 2.88Å; Q257-L261 WeakPolarHBondContact O-CB 3.38Å; Q257-L261 WeakPolarHBondContact O-CG 3.5Å; Q257-L261 PolarHBondContact O-N 3.43Å; Q257-V291 HydrophobicContact CB-CG2 4.27Å
258A86.4Confident84.1Confident2 Ų238.4 Ų38.42%0.01720%0.197CC..Hα-helixtrans-65.3-31178.800000113.5L254 E255 E256 E262 V291 L303 Y306L254-A258 WeakPolarHBondContact O-CB 3.16Å; L254-A258 PolarHBondContact O-N 3.45Å; E255-A258 PolarHBondContact O-N 2.88Å; E256-A258 VanDerWaalsContact C-N 3.32Å; E256-A258 PolarHBondContact O-N 3.17Å; A258-E262 WeakPolarHBondContact O-CB 3.29Å; A258-E262 PolarHBondContact O-N 2.95Å; A258-V291 HydrophobicContact CB-CG1 4.11Å; A258-L303 HydrophobicContact CB-CD1 3.47Å; A258-L303 VanDerWaalsContact CB-CD1 3.47Å; A258-Y306 HydrophobicContact CB-CD1 4.43Å; A258-Y306 HydrophobicContact CB-CE1 4.31Å
259D83Confident84.2Confident1 Ų139.3 Ų39.31%0.00521%0.207CC..Hα-helixtrans-71.7-44.1177.3-75.922.3000111.8V149 M152 S153 R156 E255 E256 Q257 L261 E262 F263V149-D259 HydrophobicContact CG1-CB 4.12Å; M152-D259 HydrophobicContact CB-CB 4.48Å; M152-D259 VanDerWaalsContact CB-OD2 3.29Å; M152-D259 WeakPolarHBondContact CB-OD2 3.05Å; S153-D259 WeakPolarHBondContact CA-OD2 3.06Å; S153-D259 VanDerWaalsContact CB-OD2 3.25Å; S153-D259 WeakPolarHBondContact CB-OD2 3.26Å; S153-D259 PolarHBondContact N-OD2 2.75Å; R156-D259 IonicContact CZ-OD1 2.82Å; R156-D259 IonicContact CZ-OD2 3.68Å; R156-D259 VanDerWaalsContact NE-CG 3.31Å; R156-D259 IonicContact NE-OD1 3.69Å; R156-D259 PolarHBondContact NE-OD1 3.26Å; R156-D259 IonicContact NE-OD2 3.3Å; R156-D259 PolarHBondContact NE-OD2 3.11Å; R156-D259 VanDerWaalsContact NE-OD2 3.12Å; R156-D259 IonicContact NH1-OD1 3.74Å; R156-D259 VanDerWaalsContact NH2-CG 3.3Å; R156-D259 IonicContact NH2-OD1 2.88Å; R156-D259 PolarHBondContact NH2-OD1 3.09Å; R156-D259 IonicContact NH2-OD2 2.93Å; E255-D259 PolarHBondContact O-N 2.86Å; E256-D259 PolarHBondContact O-N 3.07Å; Q257-D259 VanDerWaalsContact C-N 3.28Å; Q257-D259 PolarHBondContact O-N 3.01Å; D259-L261 VanDerWaalsContact C-N 3.3Å; D259-L261 PolarHBondContact O-N 2.89Å; D259-E262 PolarHBondContact O-N 2.85Å; D259-F263 PolarHBondContact O-N 2.98Å
260I85Confident84.5Confident0 Ų038.4 Ų38.40%020%0.204CC..Hα-helixtrans-62.2-43.5173.8-62.9163000109.8L145 V149 L244 L247 L248 E256 Q257 E262 F263 L264L145-I260 HydrophobicContact CD2-CD1 4.16Å; V149-I260 HydrophobicContact CG1-CD1 4.48Å; V149-I260 HydrophobicContact CG1-CG1 3.74Å; L244-I260 HydrophobicContact CB-CG2 3.94Å; L244-I260 HydrophobicContact CD2-CG2 4.01Å; L247-I260 HydrophobicContact CB-CD1 4.25Å; L247-I260 HydrophobicContact CD2-CD1 3.9Å; L247-I260 HydrophobicContact CD2-CG1 4.44Å; L247-I260 HydrophobicContact CG-CD1 3.9Å; L248-I260 HydrophobicContact CD1-CG2 4.11Å; L248-I260 HydrophobicContact CD2-CB 3.7Å; L248-I260 HydrophobicContact CD2-CD1 4.12Å; L248-I260 HydrophobicContact CD2-CG2 3.66Å; L248-I260 HydrophobicContact CG-CB 4.22Å; L248-I260 HydrophobicContact CG-CG2 3.61Å; E256-I260 WeakPolarHBondContact O-CG1 3.19Å; E256-I260 PolarHBondContact O-N 2.73Å; Q257-I260 PolarHBondContact O-N 2.88Å; I260-E262 PolarHBondContact O-N 2.86Å; I260-F263 PolarHBondContact O-N 2.85Å; I260-L264 HydrophobicContact CG2-CD1 4.03Å; I260-L264 HydrophobicContact CG2-CG 4.39Å; I260-L264 WeakPolarHBondContact O-CG 3.36Å; I260-L264 PolarHBondContact O-N 3.45Å
261L88Confident84.7Confident2 Ų240.7 Ų40.71%0.0121%0.213CC..Hα-helixtrans-65.3-36.8177.4-70.6173.8000113.1L248 Q257 D259 F263 L264 W265 V284 L287 V288 V291L248-L261 HydrophobicContact CD1-CD2 3.81Å; L248-L261 HydrophobicContact CD1-CG 4.46Å; L248-L261 HydrophobicContact CD2-CD2 4.3Å; L248-L261 HydrophobicContact CD2-CG 4.06Å; Q257-L261 WeakPolarHBondContact O-CB 3.38Å; Q257-L261 WeakPolarHBondContact O-CG 3.5Å; Q257-L261 PolarHBondContact O-N 3.43Å; D259-L261 VanDerWaalsContact C-N 3.3Å; D259-L261 PolarHBondContact O-N 2.89Å; L261-F263 VanDerWaalsContact C-N 3.33Å; L261-L264 PolarHBondContact O-N 3.48Å; L261-W265 WeakPolarHBondContact O-CB 3.49Å; L261-W265 PolarHBondContact O-N 2.91Å; L261-V284 HydrophobicContact CD2-CG1 4.21Å; L261-L287 HydrophobicContact CD1-CB 4.07Å; L261-L287 HydrophobicContact CD2-CB 3.56Å; L261-L287 HydrophobicContact CD2-CD1 3.86Å; L261-L287 HydrophobicContact CD2-CG 4.38Å; L261-L287 HydrophobicContact CG-CB 4.5Å; L261-V288 HydrophobicContact CB-CG2 3.9Å; L261-V288 HydrophobicContact CD1-CG2 4.03Å; L261-V288 HydrophobicContact CG-CG2 4.4Å; L261-V291 HydrophobicContact CD1-CB 4.24Å; L261-V291 HydrophobicContact CD1-CG2 3.56Å
262E84.5Confident84.9Confident35 Ų3543.4 Ų43.416%0.16422%0.222CC..Hα-helixtrans-59.5-47.1171.3177.9-175.2-128.200111.1R156 A258 D259 I260 W265 S266 Y306 K376R156-E262 IonicContact NH2-OE2 2.79Å; R156-E262 PolarHBondContact NH2-OE2 2.85Å; A258-E262 WeakPolarHBondContact O-CB 3.29Å; A258-E262 PolarHBondContact O-N 2.95Å; D259-E262 PolarHBondContact O-N 2.85Å; I260-E262 PolarHBondContact O-N 2.86Å; E262-W265 WeakPolarHBondContact O-CB 3.47Å; E262-W265 PolarHBondContact O-N 3.38Å; E262-S266 WeakPolarHBondContact O-CB 3.37Å; E262-S266 PolarHBondContact O-N 3.27Å; E262-Y306 WeakPolarHBondContact CB-OH 3.32Å; E262-Y306 WeakPolarHBondContact CG-OH 3.24Å; E262-Y306 PolarHBondContact OE1-OH 3.44Å; E262-Y306 PolarHBondContact OE2-OH 2.85Å; E262-Y306 VanDerWaalsContact OE2-OH 3.07Å; E262-K376 IonicContact OE1-NZ 3.84Å; E262-K376 IonicContact OE2-NZ 3.25Å; E262-K376 PolarHBondContact OE2-NZ 2.92Å
263F83.3Confident85Confident32 Ų3240.1 Ų40.114%0.1421%0.205CC..Hα-helixtrans-62.8-46.1-179.4-176-90.3000110.9F148 M152 L244 D259 I260 L261 W265 S266 K267F148-F263 HydrophobicContact CE2-CE2 4.48Å; M152-F263 HydrophobicContact CE-CD2 4.37Å; L244-F263 HydrophobicContact CD1-CD1 3.37Å; L244-F263 HydrophobicContact CD1-CE1 3.47Å; L244-F263 VanDerWaalsContact CD1-CE1 3.47Å; D259-F263 PolarHBondContact O-N 2.98Å; I260-F263 PolarHBondContact O-N 2.85Å; L261-F263 VanDerWaalsContact C-N 3.33Å; F263-W265 VanDerWaalsContact C-N 3.35Å; F263-W265 PolarHBondContact O-N 2.68Å; F263-S266 PolarHBondContact O-N 3.21Å; F263-K267 HydrophobicContact CD1-CG 4.06Å; F263-K267 HydrophobicContact CE1-CG 3.72Å; F263-K267 HydrophobicContact CE2-CG 4.24Å; F263-K267 HydrophobicContact CG-CG 4.49Å; F263-K267 HydrophobicContact CZ-CD 4.3Å; F263-K267 HydrophobicContact CZ-CG 3.84Å; F263-K267 WeakPolarHBondContact O-CB 3.31Å; F263-K267 WeakPolarHBondContact O-CG 3.46Å; F263-K267 PolarHBondContact O-N 2.92Å
264L85.8Confident84.8Confident0 Ų036.3 Ų36.30%019%0.185CC..Hα-helixtrans-60.9-43.2175-71173.3000111.7C241 L244 V245 L248 I260 L261 S266 K267 Q268 W272 V284C241-L264 HydrophobicContact CB-CD2 4.03Å; L244-L264 HydrophobicContact CB-CD2 4.09Å; L244-L264 HydrophobicContact CB-CG 4.45Å; L244-L264 HydrophobicContact CD1-CD2 4.07Å; V245-L264 HydrophobicContact CG2-CD1 4.34Å; L248-L264 HydrophobicContact CD1-CD1 3.76Å; I260-L264 HydrophobicContact CG2-CD1 4.03Å; I260-L264 HydrophobicContact CG2-CG 4.39Å; I260-L264 WeakPolarHBondContact O-CG 3.36Å; I260-L264 PolarHBondContact O-N 3.45Å; L261-L264 PolarHBondContact O-N 3.48Å; L264-S266 VanDerWaalsContact C-N 3.34Å; L264-S266 PolarHBondContact O-N 3.31Å; L264-K267 PolarHBondContact O-N 3.39Å; L264-Q268 PolarHBondContact O-N 3.48Å; L264-W272 HydrophobicContact CD2-CZ3 4.02Å; L264-V284 HydrophobicContact CB-CG1 4.31Å; L264-V284 HydrophobicContact CB-CG2 4.3Å
265W87.8Confident84.4Confident40 Ų4043 Ų4315%0.15221%0.213CC..Hα-helixtrans-61-42.3176.4-173.1-70.6000112L261 E262 F263 G269 P270 V284 R285 V288 L310 L311L261-W265 WeakPolarHBondContact O-CB 3.49Å; L261-W265 PolarHBondContact O-N 2.91Å; E262-W265 WeakPolarHBondContact O-CB 3.47Å; E262-W265 PolarHBondContact O-N 3.38Å; F263-W265 VanDerWaalsContact C-N 3.35Å; F263-W265 PolarHBondContact O-N 2.68Å; W265-G269 VanDerWaalsContact O-CA 3.23Å; W265-G269 WeakPolarHBondContact O-CA 3.45Å; W265-G269 PolarHBondContact O-N 2.65Å; W265-G269 VanDerWaalsContact O-N 3.13Å; W265-P270 HydrophobicContact CD2-CB 4.04Å; W265-P270 HydrophobicContact CE3-CB 4Å; W265-P270 HydrophobicContact CH2-CB 3.57Å; W265-P270 HydrophobicContact CZ2-CB 3.59Å; W265-P270 HydrophobicContact CZ2-CG 4.22Å; W265-P270 HydrophobicContact CZ3-CB 3.78Å; W265-V284 HydrophobicContact CB-CG1 4.22Å; W265-V284 HydrophobicContact CE3-CG1 4.06Å; W265-R285 HydrophobicContact CZ3-CB 4.2Å; W265-V288 HydrophobicContact CE3-CG2 3.91Å; W265-V288 HydrophobicContact CZ3-CB 4.35Å; W265-V288 HydrophobicContact CZ3-CG2 4.12Å; W265-L310 HydrophobicContact CB-CD1 4.21Å; W265-L310 HydrophobicContact CB-CD2 4.42Å; W265-L310 HydrophobicContact CD2-CD1 3.65Å; W265-L310 HydrophobicContact CD2-CD2 4.17Å; W265-L310 HydrophobicContact CD2-CG 3.76Å; W265-L310 HydrophobicContact CE3-CD1 4.31Å; W265-L310 HydrophobicContact CE3-CD2 4.06Å; W265-L310 HydrophobicContact CE3-CG 3.9Å; W265-L310 HydrophobicContact CG-CD1 3.58Å; W265-L310 HydrophobicContact CG-CD2 4.34Å; W265-L310 HydrophobicContact CG-CG 4.14Å; W265-L310 HydrophobicContact CH2-CG 4.45Å; W265-L310 WeakPolarHBondContact CH2-O 3.48Å; W265-L310 HydrophobicContact CZ2-CD1 4.42Å; W265-L310 HydrophobicContact CZ2-CG 4.34Å; W265-L310 WeakPolarHBondContact CZ2-O 3.5Å; W265-L310 HydrophobicContact CZ3-CG 4.22Å; W265-L311 HydrophobicContact CH2-CD2 4.2Å; W265-L311 HydrophobicContact CZ3-CD2 4.19Å
266S83.8Confident83.8Confident95 Ų9542.6 Ų42.666%0.66421%0.212SC*.Hα-helixtrans-72.3-30.8179.1-176.60000113.1E262 F263 L264E262-S266 WeakPolarHBondContact O-CB 3.37Å; E262-S266 PolarHBondContact O-N 3.27Å; F263-S266 PolarHBondContact O-N 3.21Å; L264-S266 VanDerWaalsContact C-N 3.34Å; L264-S266 PolarHBondContact O-N 3.31Å
267K83.4Confident82.9Confident112 Ų11244.2 Ų44.249%0.48724%0.235SC..Hα-helixtrans-89.8-45-175.8-71.1-67.8-172.5174.30113.4F263 L264F263-K267 HydrophobicContact CD1-CG 4.06Å; F263-K267 HydrophobicContact CE1-CG 3.72Å; F263-K267 HydrophobicContact CE2-CG 4.24Å; F263-K267 HydrophobicContact CG-CG 4.49Å; F263-K267 HydrophobicContact CZ-CD 4.3Å; F263-K267 HydrophobicContact CZ-CG 3.84Å; F263-K267 WeakPolarHBondContact O-CB 3.31Å; F263-K267 WeakPolarHBondContact O-CG 3.46Å; F263-K267 PolarHBondContact O-N 2.92Å; L264-K267 PolarHBondContact O-N 3.39Å
268Q82.9Confident81.9Confident92 Ų9247.2 Ų47.243%0.4327%0.268SS..Hα-helixtrans-109.9-16.9-172.6-62.5-68-4.300113.4C241 L264 W272C241-Q268 HydrophobicContact CB-CG 4.37Å; C241-Q268 PolarHBondContact SG-NE2 3.07Å; L264-Q268 PolarHBondContact O-N 3.48Å; Q268-W272 HydrophobicContact CB-CB 3.65Å; Q268-W272 HydrophobicContact CB-CD2 3.72Å; Q268-W272 HydrophobicContact CB-CE3 4.22Å; Q268-W272 HydrophobicContact CB-CG 3.44Å; Q268-W272 VanDerWaalsContact CB-CG 3.44Å; Q268-W272 HydrophobicContact CG-CD2 3.87Å; Q268-W272 HydrophobicContact CG-CE3 4.28Å; Q268-W272 HydrophobicContact CG-CG 4.04Å; Q268-W272 HydrophobicContact CG-CZ2 4.47Å
269G85.3Confident81.3Confident20 Ų2052.3 Ų52.321%0.20629%0.29CS..  trans90.7170.8-176.300000113.9W265W265-G269 VanDerWaalsContact O-CA 3.23Å; W265-G269 WeakPolarHBondContact O-CA 3.45Å; W265-G269 PolarHBondContact O-N 2.65Å; W265-G269 VanDerWaalsContact O-N 3.13Å
270P85Confident80.6Confident37 Ų3760.8 Ų60.824%0.2433%0.327CS..THydrogen-bonded Turntrans-72.3-31.2-172.825.4-33.3000114.6W265 W272 V284 R285W265-P270 HydrophobicContact CD2-CB 4.04Å; W265-P270 HydrophobicContact CE3-CB 4Å; W265-P270 HydrophobicContact CH2-CB 3.57Å; W265-P270 HydrophobicContact CZ2-CB 3.59Å; W265-P270 HydrophobicContact CZ2-CG 4.22Å; W265-P270 HydrophobicContact CZ3-CB 3.78Å; P270-W272 VanDerWaalsContact C-N 3.3Å; P270-V284 PolarHBondContact O-N 3.44Å; P270-R285 HydrophobicContact CB-CB 4.46Å; P270-R285 PolarHBondContact O-N 3.33Å
271E86.1Confident80.3Confident115 Ų11566.8 Ų66.854%0.53736%0.359SS..THydrogen-bonded Turntrans-917.4-176-52.5-49.8137.800112.6D273 R285E271-D273 PolarHBondContact O-N 2.93Å; E271-R285 IonicContact OE1-CZ 2.71Å; E271-R285 VanDerWaalsContact OE1-CZ 3.3Å; E271-R285 IonicContact OE1-NE 2.68Å; E271-R285 PolarHBondContact OE1-NE 2.9Å; E271-R285 IonicContact OE1-NH2 3.29Å; E271-R285 PolarHBondContact OE1-NH2 2.9Å
272W85.1Confident80.1Confident66 Ų6666.9 Ų66.925%0.2536%0.36CS..  trans-67.9123.5176.8-175.673.6000110.6C241 V245 L264 Q268 P270 T274 T283 V284C241-W272 HydrophobicContact CB-CH2 3.78Å; C241-W272 HydrophobicContact CB-CZ2 4.04Å; C241-W272 HydrophobicContact CB-CZ3 4.47Å; V245-W272 HydrophobicContact CG2-CH2 3.93Å; V245-W272 HydrophobicContact CG2-CZ3 3.82Å; L264-W272 HydrophobicContact CD2-CZ3 4.02Å; Q268-W272 HydrophobicContact CB-CB 3.65Å; Q268-W272 HydrophobicContact CB-CD2 3.72Å; Q268-W272 HydrophobicContact CB-CE3 4.22Å; Q268-W272 HydrophobicContact CB-CG 3.44Å; Q268-W272 VanDerWaalsContact CB-CG 3.44Å; Q268-W272 HydrophobicContact CG-CD2 3.87Å; Q268-W272 HydrophobicContact CG-CE3 4.28Å; Q268-W272 HydrophobicContact CG-CG 4.04Å; Q268-W272 HydrophobicContact CG-CZ2 4.47Å; P270-W272 VanDerWaalsContact C-N 3.3Å; W272-T274 HydrophobicContact CE3-CG2 3.76Å; W272-T274 HydrophobicContact CZ3-CG2 3.68Å; W272-T274 PolarHBondContact O-N 3.22Å; W272-T283 CarbonylContact O-C 3.26Å; W272-T283 VanDerWaalsContact O-CA 3.31Å; W272-T283 WeakPolarHBondContact O-CA 3.37Å; W272-V284 HydrophobicContact CB-CG2 4.14Å; W272-V284 HydrophobicContact CE3-CG2 3.74Å; W272-V284 PolarHBondContact O-N 2.92Å
273D83.7Confident80.3Confident44 Ų4466.3 Ų66.324%0.23536%0.359CS..BIsolated β-bridgetrans-79.1112.3177.5-172.57.3000110.1E271 K275 N281 V282E271-D273 PolarHBondContact O-N 2.93Å; D273-K275 PolarHBondContact O-N 2.9Å; D273-K275 PolarHBondContact OD1-N 2.98Å; D273-N281 PolarHBondContact OD2-N 3.24Å; D273-V282 PolarHBondContact OD1-N 3.22Å
274T79.2Confident80.6Confident11 Ų1164.8 Ų64.87%0.06735%0.352CS..  trans-72.1-16.317859.70000112.8V245 W272 L276 V282 V284 L287V245-T274 HydrophobicContact CG2-CG2 4.28Å; W272-T274 HydrophobicContact CE3-CG2 3.76Å; W272-T274 HydrophobicContact CZ3-CG2 3.68Å; W272-T274 PolarHBondContact O-N 3.22Å; T274-L276 PolarHBondContact O-N 3.14Å; T274-L276 PolarHBondContact OG1-N 3.3Å; T274-V282 PolarHBondContact N-O 2.9Å; T274-V282 WeakPolarHBondContact OG1-CG1 3.44Å; T274-V282 PolarHBondContact OG1-O 3.08Å; T274-V284 HydrophobicContact CG2-CG2 3.91Å; T274-L287 HydrophobicContact CG2-CD1 3.68Å
275K78.3Confident80.8Confident147 Ų14768.3 Ų68.364%0.63937%0.366SS*.  trans49.628.9-172.4-59.9178.1-177.8173.50113.1D273 G277 G278 K279D273-K275 PolarHBondContact O-N 2.9Å; D273-K275 PolarHBondContact OD1-N 2.98Å; K275-G277 PolarHBondContact O-N 3.4Å; K275-G278 PolarHBondContact O-N 2.97Å; K275-G278 VanDerWaalsContact O-N 3.11Å; K275-K279 WeakPolarHBondContact CA-O 3.37Å
276L70.9Confident80.8Confident10 Ų1070 Ų705%0.05238%0.376CS..G310 helixtrans-57.8125.3-174.4-168.278.7000110.6L130 L131 V245 L249 T274 G278 K279 V282 L287L130-L276 HydrophobicContact CB-CD2 4.38Å; L131-L276 HydrophobicContact CD2-CD2 3.76Å; V245-L276 HydrophobicContact CG1-CD1 3.48Å; V245-L276 VanDerWaalsContact CG1-CD1 3.48Å; L249-L276 HydrophobicContact CD1-CD1 3.99Å; L249-L276 HydrophobicContact CD2-CD1 3.75Å; L249-L276 HydrophobicContact CD2-CD2 4.1Å; L249-L276 HydrophobicContact CD2-CG 4.02Å; L249-L276 HydrophobicContact CG-CD1 3.74Å; T274-L276 PolarHBondContact O-N 3.14Å; T274-L276 PolarHBondContact OG1-N 3.3Å; L276-G278 VanDerWaalsContact C-N 3.26Å; L276-G278 PolarHBondContact O-N 3.07Å; L276-K279 PolarHBondContact O-N 3.39Å; L276-V282 HydrophobicContact CB-CB 4.47Å; L276-V282 HydrophobicContact CB-CG1 4.12Å; L276-L287 HydrophobicContact CD2-CD2 3.84Å
277G65.2Low81.1Confident58 Ų5865.5 Ų65.560%0.59834%0.344SS*.G310 helixtrans6721.6178.600000114.9K275 K279K275-G277 PolarHBondContact O-N 3.4Å; G277-K279 PolarHBondContact O-N 2.69Å
278G67.7Low81.4Confident72 Ų7260.2 Ų60.274%0.74232%0.321SS*.G310 helixtrans74.85.6179.900000114.3K275 L276K275-G278 PolarHBondContact O-N 2.97Å; K275-G278 VanDerWaalsContact O-N 3.11Å; L276-G278 VanDerWaalsContact C-N 3.26Å; L276-G278 PolarHBondContact O-N 3.07Å
279K72.4Confident81.8Confident110 Ų11060.2 Ų60.248%0.47832%0.322SS..  trans-81.5128.5172.6-66.3-179.2-178.8175.80108.8L130 K275 L276 G277 V282L130-K279 HydrophobicContact CD2-CD 4.26Å; K275-K279 WeakPolarHBondContact CA-O 3.37Å; L276-K279 PolarHBondContact O-N 3.39Å; G277-K279 PolarHBondContact O-N 2.69Å; K279-V282 HydrophobicContact CB-CG2 3.83Å
280K69Low82Confident179 Ų17960.1 Ų60.178%0.77832%0.316SS*.THydrogen-bonded Turntrans-74.6147.7170.1-62.5-177.7-179.6-179.60109.2
281N78.4Confident82.2Confident125 Ų12558.3 Ų58.367%0.66830%0.304SS*.THydrogen-bonded Turntrans73.934.2177-50.1-19.3000115.3D273 T283D273-N281 PolarHBondContact OD2-N 3.24Å; N281-T283 PolarHBondContact O-N 2.98Å
282V83.8Confident82.4Confident5 Ų554 Ų543%0.0328%0.284CS..  trans-96.188.9171.4-177.50000109.1L130 D273 T274 L276 K279 L287L130-V282 HydrophobicContact CD1-CG1 3.9Å; D273-V282 PolarHBondContact OD1-N 3.22Å; T274-V282 PolarHBondContact N-O 2.9Å; T274-V282 WeakPolarHBondContact OG1-CG1 3.44Å; T274-V282 PolarHBondContact OG1-O 3.08Å; L276-V282 HydrophobicContact CB-CB 4.47Å; L276-V282 HydrophobicContact CB-CG1 4.12Å; K279-V282 HydrophobicContact CB-CG2 3.83Å; V282-L287 HydrophobicContact CG1-CD1 4.43Å; V282-L287 HydrophobicContact CG1-CD2 3.73Å; V282-L287 HydrophobicContact CG1-CG 4.01Å
283T88.9Confident82.5Confident23 Ų2354 Ų5414%0.14129%0.286CS..BIsolated β-bridgetrans-74.1152.8179.963.20000112W272 N281 R285 M286 L287W272-T283 CarbonylContact O-C 3.26Å; W272-T283 VanDerWaalsContact O-CA 3.31Å; W272-T283 WeakPolarHBondContact O-CA 3.37Å; N281-T283 PolarHBondContact O-N 2.98Å; T283-R285 PolarHBondContact O-N 3.42Å; T283-M286 WeakPolarHBondContact O-CB 3.36Å; T283-M286 PolarHBondContact O-N 2.94Å; T283-M286 WeakPolarHBondContact OG1-CG 3.38Å; T283-M286 PolarHBondContact OG1-N 3.41Å; T283-L287 PolarHBondContact O-N 3.24Å
284V89.2Confident82.6Confident0 Ų053.7 Ų53.70%028%0.283CS..Hα-helixtrans-54-36.6171.8-177.40000110.7L261 L264 W265 P270 W272 T274 M286 L287 V288L261-V284 HydrophobicContact CD2-CG1 4.21Å; L264-V284 HydrophobicContact CB-CG1 4.31Å; L264-V284 HydrophobicContact CB-CG2 4.3Å; W265-V284 HydrophobicContact CB-CG1 4.22Å; W265-V284 HydrophobicContact CE3-CG1 4.06Å; P270-V284 PolarHBondContact O-N 3.44Å; W272-V284 HydrophobicContact CB-CG2 4.14Å; W272-V284 HydrophobicContact CE3-CG2 3.74Å; W272-V284 PolarHBondContact O-N 2.92Å; T274-V284 HydrophobicContact CG2-CG2 3.91Å; V284-M286 PolarHBondContact O-N 3.18Å; V284-L287 PolarHBondContact O-N 3.05Å; V284-V288 HydrophobicContact CG1-CG2 4.32Å; V284-V288 WeakPolarHBondContact O-CG2 3.21Å; V284-V288 PolarHBondContact O-N 3.41Å
285R89.9Confident83Confident74 Ų7453.1 Ų53.128%0.27928%0.28SS..Hα-helixtrans-53.9-49.3173.4-179.4-174.7-61.4-76.7-2.2113.1W265 P270 E271 T283 L287 V288 E289 L311W265-R285 HydrophobicContact CZ3-CB 4.2Å; P270-R285 HydrophobicContact CB-CB 4.46Å; P270-R285 PolarHBondContact O-N 3.33Å; E271-R285 IonicContact OE1-CZ 2.71Å; E271-R285 VanDerWaalsContact OE1-CZ 3.3Å; E271-R285 IonicContact OE1-NE 2.68Å; E271-R285 PolarHBondContact OE1-NE 2.9Å; E271-R285 IonicContact OE1-NH2 3.29Å; E271-R285 PolarHBondContact OE1-NH2 2.9Å; T283-R285 PolarHBondContact O-N 3.42Å; R285-L287 VanDerWaalsContact C-N 3.29Å; R285-L287 PolarHBondContact O-N 3.41Å; R285-V288 PolarHBondContact O-N 2.91Å; R285-E289 WeakPolarHBondContact O-CG 3.26Å; R285-E289 PolarHBondContact O-N 3.01Å; R285-L311 HydrophobicContact CG-CD2 4.09Å
286M89Confident83.3Confident75 Ų7547.9 Ų47.937%0.36926%0.261SS..Hα-helixtrans-62.1-38.8179.4-73.1176.849.400112L130 T283 V284 E289 E290L130-M286 HydrophobicContact CD1-CE 3.81Å; T283-M286 WeakPolarHBondContact O-CB 3.36Å; T283-M286 PolarHBondContact O-N 2.94Å; T283-M286 WeakPolarHBondContact OG1-CG 3.38Å; T283-M286 PolarHBondContact OG1-N 3.41Å; V284-M286 PolarHBondContact O-N 3.18Å; M286-E289 PolarHBondContact O-N 3.47Å; M286-E290 PolarHBondContact O-N 2.89Å
287L89.5Confident83.8Confident0 Ų050.1 Ų50.10%028%0.275CS..Hα-helixtrans-66-40.7176.6-60.8179.4000111.8L130 L131 L248 L261 T274 L276 V282 T283 V284 R285 E289 E290 V291L130-L287 HydrophobicContact CB-CD2 4.04Å; L130-L287 HydrophobicContact CD1-CD2 4.2Å; L131-L287 HydrophobicContact CD1-CB 4.48Å; L131-L287 HydrophobicContact CD1-CD2 4.36Å; L131-L287 HydrophobicContact CD2-CD2 4.04Å; L131-L287 HydrophobicContact CG-CD2 3.98Å; L248-L287 HydrophobicContact CD1-CD1 4.27Å; L261-L287 HydrophobicContact CD1-CB 4.07Å; L261-L287 HydrophobicContact CD2-CB 3.56Å; L261-L287 HydrophobicContact CD2-CD1 3.86Å; L261-L287 HydrophobicContact CD2-CG 4.38Å; L261-L287 HydrophobicContact CG-CB 4.5Å; T274-L287 HydrophobicContact CG2-CD1 3.68Å; L276-L287 HydrophobicContact CD2-CD2 3.84Å; V282-L287 HydrophobicContact CG1-CD1 4.43Å; V282-L287 HydrophobicContact CG1-CD2 3.73Å; V282-L287 HydrophobicContact CG1-CG 4.01Å; T283-L287 PolarHBondContact O-N 3.24Å; V284-L287 PolarHBondContact O-N 3.05Å; R285-L287 VanDerWaalsContact C-N 3.29Å; R285-L287 PolarHBondContact O-N 3.41Å; L287-E289 VanDerWaalsContact C-N 3.33Å; L287-E290 PolarHBondContact O-N 3.36Å; L287-V291 WeakPolarHBondContact O-CG2 3.26Å; L287-V291 PolarHBondContact O-N 2.8Å
288V90.9Very high84.6Confident1 Ų152.3 Ų52.31%0.00627%0.27CS..Hα-helixtrans-65.4-37.5174.6177.40000111.2L261 W265 V284 R285 V291 H292 T307 L310 L311L261-V288 HydrophobicContact CB-CG2 3.9Å; L261-V288 HydrophobicContact CD1-CG2 4.03Å; L261-V288 HydrophobicContact CG-CG2 4.4Å; W265-V288 HydrophobicContact CE3-CG2 3.91Å; W265-V288 HydrophobicContact CZ3-CB 4.35Å; W265-V288 HydrophobicContact CZ3-CG2 4.12Å; V284-V288 HydrophobicContact CG1-CG2 4.32Å; V284-V288 WeakPolarHBondContact O-CG2 3.21Å; V284-V288 PolarHBondContact O-N 3.41Å; R285-V288 PolarHBondContact O-N 2.91Å; V288-V291 PolarHBondContact O-N 2.86Å; V288-H292 VanDerWaalsContact O-CB 3.23Å; V288-H292 WeakPolarHBondContact O-CB 3.42Å; V288-H292 PolarHBondContact O-N 3.48Å; V288-T307 HydrophobicContact CG1-CG2 4.5Å; V288-L310 HydrophobicContact CB-CD2 4.45Å; V288-L310 HydrophobicContact CG1-CB 4.36Å; V288-L310 HydrophobicContact CG1-CD2 3.81Å; V288-L310 HydrophobicContact CG1-CG 4.29Å; V288-L310 HydrophobicContact CG2-CD2 3.7Å; V288-L311 HydrophobicContact CB-CD2 4.04Å; V288-L311 HydrophobicContact CB-CG 4.4Å; V288-L311 HydrophobicContact CG1-CD1 3.98Å; V288-L311 HydrophobicContact CG1-CD2 3.75Å; V288-L311 HydrophobicContact CG1-CG 3.58Å
289E90.6Very high85.1Confident93 Ų9353.6 Ų53.644%0.43526%0.257SS..Hα-helixtrans-63.5-40.2173.8-74.7176.8178.400112.3R285 M286 L287 H292 H293 L311R285-E289 WeakPolarHBondContact O-CG 3.26Å; R285-E289 PolarHBondContact O-N 3.01Å; M286-E289 PolarHBondContact O-N 3.47Å; L287-E289 VanDerWaalsContact C-N 3.33Å; E289-H292 PolarHBondContact O-N 3.11Å; E289-H293 WeakPolarHBondContact O-CB 3.33Å; E289-H293 PolarHBondContact O-N 2.91Å; E289-L311 HydrophobicContact CB-CD1 4.5Å; E289-L311 HydrophobicContact CG-CD1 3.76Å; E289-L311 HydrophobicContact CG-CD2 3.75Å; E289-L311 HydrophobicContact CG-CG 4.43Å
290E89.3Confident85.4Confident17 Ų1751 Ų518%0.07925%0.246CC..Hα-helixtrans-63-48.9173.5-175.3179.3161.200111.3P129 L130 L131 M286 L287 H292 H293 K294P129-E290 WeakPolarHBondContact CA-OE1 3.44Å; P129-E290 VanDerWaalsContact CB-OE1 3.31Å; P129-E290 WeakPolarHBondContact CB-OE1 3.37Å; L130-E290 WeakPolarHBondContact CA-OE2 3.21Å; L130-E290 WeakPolarHBondContact CB-OE2 3.48Å; L130-E290 PolarHBondContact N-OE1 3.5Å; L130-E290 PolarHBondContact N-OE2 3.42Å; L131-E290 PolarHBondContact N-OE1 3.31Å; L131-E290 PolarHBondContact N-OE2 3.49Å; M286-E290 PolarHBondContact O-N 2.89Å; L287-E290 PolarHBondContact O-N 3.36Å; E290-H292 VanDerWaalsContact C-N 3.31Å; E290-H292 PolarHBondContact O-N 3.4Å; E290-H293 PolarHBondContact O-N 3.37Å; E290-K294 HydrophobicContact CG-CD 4.4Å; E290-K294 WeakPolarHBondContact O-CG 3.5Å; E290-K294 PolarHBondContact O-N 3.29Å; E290-K294 WeakPolarHBondContact OE1-CE 3.46Å; E290-K294 IonicContact OE1-NZ 3.12Å; E290-K294 PolarHBondContact OE1-NZ 2.83Å
291V89.8Confident85.9Confident0 Ų048.2 Ų48.20%023%0.23CC..Hα-helixtrans-62-39.9177.3172.90000111.1L131 Q257 A258 L261 L287 V288 H293 K294 A295 L303 T307L131-V291 HydrophobicContact CD1-CG2 3.68Å; Q257-V291 HydrophobicContact CB-CG2 4.27Å; A258-V291 HydrophobicContact CB-CG1 4.11Å; L261-V291 HydrophobicContact CD1-CB 4.24Å; L261-V291 HydrophobicContact CD1-CG2 3.56Å; L287-V291 WeakPolarHBondContact O-CG2 3.26Å; L287-V291 PolarHBondContact O-N 2.8Å; V288-V291 PolarHBondContact O-N 2.86Å; V291-H293 VanDerWaalsContact C-N 3.34Å; V291-H293 PolarHBondContact O-N 2.82Å; V291-K294 PolarHBondContact O-N 3.21Å; V291-A295 WeakPolarHBondContact O-CB 3.17Å; V291-A295 PolarHBondContact O-N 2.86Å; V291-L303 HydrophobicContact CG1-CD2 4.44Å; V291-T307 HydrophobicContact CG1-CG2 4.04Å
292H89.5Confident86Confident23 Ų2345.4 Ų45.411%0.10621%0.21CC..Hα-helixtrans-59.6-43.8174.8177.179.4000112.1V288 E289 E290 S296 T307 L311 K313V288-H292 VanDerWaalsContact O-CB 3.23Å; V288-H292 WeakPolarHBondContact O-CB 3.42Å; V288-H292 PolarHBondContact O-N 3.48Å; E289-H292 PolarHBondContact O-N 3.11Å; E290-H292 VanDerWaalsContact C-N 3.31Å; E290-H292 PolarHBondContact O-N 3.4Å; H292-S296 WeakPolarHBondContact O-CB 3.5Å; H292-S296 PolarHBondContact O-N 3.27Å; H292-S296 PolarHBondContact O-OG 3.24Å; H292-T307 HydrophobicContact CB-CG2 4.48Å; H292-T307 WeakPolarHBondContact CB-OG1 3.4Å; H292-T307 PolarHBondContact ND1-OG1 3.11Å; H292-L311 HydrophobicContact CB-CD1 4.02Å; H292-K313 PolarHBondContact CD2-NZ 2.91Å; H292-K313 PolarHBondContact NE2-NZ 3.33Å
293H87Confident86.1Confident67 Ų6745.2 Ų45.231%0.3121%0.209SC..Hα-helixtrans-68-42.2177.7-173.283.8000112.1T126 E289 E290 V291 S296 T297T126-H293 WeakPolarHBondContact CG2-CD2 3.41Å; E289-H293 WeakPolarHBondContact O-CB 3.33Å; E289-H293 PolarHBondContact O-N 2.91Å; E290-H293 PolarHBondContact O-N 3.37Å; V291-H293 VanDerWaalsContact C-N 3.34Å; V291-H293 PolarHBondContact O-N 2.82Å; H293-S296 WeakPolarHBondContact O-CB 3.16Å; H293-S296 PolarHBondContact O-N 2.88Å; H293-T297 PolarHBondContact O-N 3.32Å; H293-T297 PolarHBondContact O-OG1 3.3Å
294K86.8Confident85.9Confident37 Ų3745 Ų4516%0.16121%0.208CC..Hα-helixtrans-61.9-45.7173.6-70.8-177.9-175.5167.30111.5L131 L254 E290 V291 S296 T297 E298L131-K294 PolarHBondContact O-NZ 2.87Å; L254-K294 HydrophobicContact CD1-CB 3.79Å; L254-K294 HydrophobicContact CD2-CB 3.81Å; L254-K294 HydrophobicContact CD2-CD 3.69Å; L254-K294 HydrophobicContact CD2-CG 4.41Å; L254-K294 HydrophobicContact CG-CB 4.5Å; E290-K294 HydrophobicContact CG-CD 4.4Å; E290-K294 WeakPolarHBondContact O-CG 3.5Å; E290-K294 PolarHBondContact O-N 3.29Å; E290-K294 WeakPolarHBondContact OE1-CE 3.46Å; E290-K294 IonicContact OE1-NZ 3.12Å; E290-K294 PolarHBondContact OE1-NZ 2.83Å; V291-K294 PolarHBondContact O-N 3.21Å; K294-S296 VanDerWaalsContact C-N 3.27Å; K294-S296 PolarHBondContact O-N 3.05Å; K294-T297 WeakPolarHBondContact O-CB 3.23Å; K294-T297 PolarHBondContact O-N 3.13Å; K294-T297 VanDerWaalsContact O-N 3.08Å; K294-E298 PolarHBondContact O-N 2.91Å
295A86.8Confident85.8Confident0 Ų048.5 Ų48.50%022%0.221CC..Hα-helixtrans-59.6-37.4176.200000112.4V291 Q299 K300 L303 V304V291-A295 WeakPolarHBondContact O-CB 3.17Å; V291-A295 PolarHBondContact O-N 2.86Å; A295-Q299 PolarHBondContact O-N 3.32Å; A295-K300 PolarHBondContact O-N 2.84Å; A295-L303 HydrophobicContact CB-CB 3.98Å; A295-L303 HydrophobicContact CB-CD2 3.63Å; A295-L303 HydrophobicContact CB-CG 3.66Å; A295-V304 HydrophobicContact CB-CG2 3.93Å
296S85Confident85.5Confident36 Ų3645 Ų4525%0.25221%0.208SC..Hα-helixtrans-68-39.3175.1-57.20000111.4H292 H293 K294 Q299H292-S296 WeakPolarHBondContact O-CB 3.5Å; H292-S296 PolarHBondContact O-N 3.27Å; H292-S296 PolarHBondContact O-OG 3.24Å; H293-S296 WeakPolarHBondContact O-CB 3.16Å; H293-S296 PolarHBondContact O-N 2.88Å; K294-S296 VanDerWaalsContact C-N 3.27Å; K294-S296 PolarHBondContact O-N 3.05Å; S296-Q299 PolarHBondContact O-N 2.91Å; S296-Q299 PolarHBondContact O-NE2 3.02Å
297T81.5Confident85.4Confident57 Ų5741.5 Ų41.535%0.3519%0.191SC..Hα-helixtrans-68.8-39177.7-53.50000111.9R121 H293 K294 Q299R121-T297 HydrophobicContact CB-CG2 4.46Å; H293-T297 PolarHBondContact O-N 3.32Å; H293-T297 PolarHBondContact O-OG1 3.3Å; K294-T297 WeakPolarHBondContact O-CB 3.23Å; K294-T297 PolarHBondContact O-N 3.13Å; K294-T297 VanDerWaalsContact O-N 3.08Å; T297-Q299 VanDerWaalsContact C-N 3.26Å; T297-Q299 PolarHBondContact O-N 3.5Å
298E81.9Confident85.3Confident104 Ų10442.5 Ų42.549%0.48620%0.199SC..THydrogen-bonded Turntrans-81-1.7175-68.9-174.4-163.400113.6L254 K294 K300L254-E298 HydrophobicContact CD1-CG 4.24Å; L254-E298 WeakPolarHBondContact CD1-OE1 3.29Å; L254-E298 VanDerWaalsContact CD1-OE2 3.31Å; L254-E298 WeakPolarHBondContact CD1-OE2 3.43Å; K294-E298 PolarHBondContact O-N 2.91Å; E298-K300 HydrophobicContact CB-CD 4.36Å; E298-K300 HydrophobicContact CB-CG 4.24Å; E298-K300 PolarHBondContact O-N 3.22Å; E298-K300 WeakPolarHBondContact OE2-CE 3.34Å; E298-K300 IonicContact OE2-NZ 2.77Å; E298-K300 PolarHBondContact OE2-NZ 3.49Å
299Q77.9Confident84.9Confident100 Ų10043 Ų4347%0.46720%0.204SC..THydrogen-bonded Turntrans56.429.6-179.6-58.3-76.2-64.800113.4A295 S296 T297 W301A295-Q299 PolarHBondContact O-N 3.32Å; S296-Q299 PolarHBondContact O-N 2.91Å; S296-Q299 PolarHBondContact O-NE2 3.02Å; T297-Q299 VanDerWaalsContact C-N 3.26Å; T297-Q299 PolarHBondContact O-N 3.5Å; Q299-W301 VanDerWaalsContact C-N 3.26Å; Q299-W301 PolarHBondContact O-N 2.79Å
300K78.9Confident84.6Confident55 Ų5539 Ų3924%0.23919%0.186CC..  trans-78.376.6173.6-72.8176.9174.4161.10109.3A295 E298 W302 L303 V304A295-K300 PolarHBondContact O-N 2.84Å; E298-K300 HydrophobicContact CB-CD 4.36Å; E298-K300 HydrophobicContact CB-CG 4.24Å; E298-K300 PolarHBondContact O-N 3.22Å; E298-K300 WeakPolarHBondContact OE2-CE 3.34Å; E298-K300 IonicContact OE2-NZ 2.77Å; E298-K300 PolarHBondContact OE2-NZ 3.49Å; K300-W302 VanDerWaalsContact C-N 3.31Å; K300-W302 PolarHBondContact O-N 2.79Å; K300-L303 HydrophobicContact CB-CB 3.98Å; K300-L303 HydrophobicContact CD-CD2 4.42Å; K300-L303 WeakPolarHBondContact O-CA 3.4Å; K300-L303 VanDerWaalsContact O-CB 3.31Å; K300-L303 WeakPolarHBondContact O-CB 3.44Å; K300-L303 PolarHBondContact O-N 2.9Å; K300-V304 PolarHBondContact O-N 3Å
301W80.3Confident84.4Confident120 Ų12038.8 Ų38.846%0.45519%0.185SC..Hα-helixtrans-56.9-37.8-169.4-66.4114.4000115.1Q299 L303 V304 R305Q299-W301 VanDerWaalsContact C-N 3.26Å; Q299-W301 PolarHBondContact O-N 2.79Å; W301-L303 PolarHBondContact O-N 2.93Å; W301-V304 HydrophobicContact CE3-CB 4.49Å; W301-V304 PolarHBondContact O-N 3Å; W301-R305 WeakPolarHBondContact O-CG 2.97Å; W301-R305 PolarHBondContact O-N 3.27Å
302W80.7Confident84Confident67 Ų6742.1 Ų42.125%0.25420%0.203SC..Hα-helixtrans-61.4-38.7175.778.8-99.5000110.9R156 E255 K300 R305 Y306R156-W302 HydrophobicContact CB-CH2 4.48Å; R156-W302 HydrophobicContact CB-CZ3 4.31Å; E255-W302 HydrophobicContact CB-CH2 4.2Å; E255-W302 HydrophobicContact CB-CZ2 3.98Å; E255-W302 HydrophobicContact CG-CH2 4.31Å; E255-W302 HydrophobicContact CG-CZ2 3.62Å; K300-W302 VanDerWaalsContact C-N 3.31Å; K300-W302 PolarHBondContact O-N 2.79Å; W302-R305 PolarHBondContact O-N 3.41Å; W302-Y306 HydrophobicContact CZ3-CG 4.47Å; W302-Y306 WeakPolarHBondContact O-CB 3.25Å; W302-Y306 PolarHBondContact O-N 2.63Å
303L84.3Confident83.7Confident0 Ų045.7 Ų45.70%022%0.218CC..Hα-helixtrans-73.4-35.5179-172.461.4000111.5L254 A258 V291 A295 K300 W301 Y306 T307L254-L303 HydrophobicContact CB-CD2 3.72Å; A258-L303 HydrophobicContact CB-CD1 3.47Å; A258-L303 VanDerWaalsContact CB-CD1 3.47Å; V291-L303 HydrophobicContact CG1-CD2 4.44Å; A295-L303 HydrophobicContact CB-CB 3.98Å; A295-L303 HydrophobicContact CB-CD2 3.63Å; A295-L303 HydrophobicContact CB-CG 3.66Å; K300-L303 HydrophobicContact CB-CB 3.98Å; K300-L303 HydrophobicContact CD-CD2 4.42Å; K300-L303 WeakPolarHBondContact O-CA 3.4Å; K300-L303 VanDerWaalsContact O-CB 3.31Å; K300-L303 WeakPolarHBondContact O-CB 3.44Å; K300-L303 PolarHBondContact O-N 2.9Å; W301-L303 PolarHBondContact O-N 2.93Å; L303-Y306 HydrophobicContact CD1-CD1 4.2Å; L303-Y306 PolarHBondContact O-N 3.19Å; L303-T307 HydrophobicContact CD1-CG2 4.25Å; L303-T307 HydrophobicContact CG-CG2 4.41Å; L303-T307 WeakPolarHBondContact O-CB 3.4Å; L303-T307 VanDerWaalsContact O-CG2 3.3Å; L303-T307 WeakPolarHBondContact O-CG2 3.25Å; L303-T307 PolarHBondContact O-N 2.71Å; L303-T307 PolarHBondContact O-OG1 3.45Å
304V86Confident83.2Confident20 Ų2045 Ų4512%0.12122%0.218CC..Hα-helixtrans-61-49.8171.4176.20000110.6A295 K300 W301 Y306 T307 A308A295-V304 HydrophobicContact CB-CG2 3.93Å; K300-V304 PolarHBondContact O-N 3Å; W301-V304 HydrophobicContact CE3-CB 4.49Å; W301-V304 PolarHBondContact O-N 3Å; V304-Y306 VanDerWaalsContact C-N 3.31Å; V304-Y306 PolarHBondContact O-N 2.92Å; V304-T307 PolarHBondContact O-OG1 2.96Å; V304-T307 VanDerWaalsContact O-OG1 3.11Å; V304-A308 WeakPolarHBondContact O-CB 3.43Å; V304-A308 PolarHBondContact O-N 3.32Å
305R85.7Confident82.9Confident73 Ų7347.4 Ų47.428%0.27524%0.236SC..Hα-helixtrans-60.2-43.8176.4-72.7177.1-176.9109.51.2111.7W301 W302 G309 A382 E386W301-R305 WeakPolarHBondContact O-CG 2.97Å; W301-R305 PolarHBondContact O-N 3.27Å; W302-R305 PolarHBondContact O-N 3.41Å; R305-G309 PolarHBondContact O-N 3.48Å; R305-A382 HydrophobicContact CB-CB 3.86Å; R305-A382 HydrophobicContact CG-CB 4.11Å; R305-E386 WeakPolarHBondContact CD-OE1 3.5Å; R305-E386 WeakPolarHBondContact CG-OE1 3.48Å; R305-E386 IonicContact CZ-OE1 2.79Å; R305-E386 IonicContact CZ-OE2 2.71Å; R305-E386 VanDerWaalsContact CZ-OE2 3.29Å; R305-E386 VanDerWaalsContact NE-CD 3.26Å; R305-E386 IonicContact NE-OE1 3.81Å; R305-E386 PolarHBondContact NE-OE1 2.88Å; R305-E386 IonicContact NE-OE2 2.85Å; R305-E386 PolarHBondContact NE-OE2 2.91Å; R305-E386 IonicContact NH2-OE1 2.93Å; R305-E386 IonicContact NH2-OE2 3.44Å; R305-E386 PolarHBondContact NH2-OE2 3.27Å
306Y83.4Confident82.6Confident0 Ų054.6 Ų54.60%027%0.27CS..Hα-helixtrans-62.4-53.4-179.9179.5-106.4000112.5R156 A258 E262 W302 L303 V304 A308 G309 L310 K376 L378R156-Y306 VanDerWaalsContact NH1-CD2 3.28Å; R156-Y306 PolarHBondContact NH1-OH 3.37Å; R156-Y306 VanDerWaalsContact NH2-CZ 3.34Å; R156-Y306 PolarHBondContact NH2-OH 2.87Å; A258-Y306 HydrophobicContact CB-CD1 4.43Å; A258-Y306 HydrophobicContact CB-CE1 4.31Å; E262-Y306 WeakPolarHBondContact CB-OH 3.32Å; E262-Y306 WeakPolarHBondContact CG-OH 3.24Å; E262-Y306 PolarHBondContact OE1-OH 3.44Å; E262-Y306 PolarHBondContact OE2-OH 2.85Å; E262-Y306 VanDerWaalsContact OE2-OH 3.07Å; W302-Y306 HydrophobicContact CZ3-CG 4.47Å; W302-Y306 WeakPolarHBondContact O-CB 3.25Å; W302-Y306 PolarHBondContact O-N 2.63Å; L303-Y306 HydrophobicContact CD1-CD1 4.2Å; L303-Y306 PolarHBondContact O-N 3.19Å; V304-Y306 VanDerWaalsContact C-N 3.31Å; V304-Y306 PolarHBondContact O-N 2.92Å; Y306-A308 PolarHBondContact O-N 3.48Å; Y306-G309 PolarHBondContact O-N 3.08Å; Y306-L310 PolarHBondContact O-N 2.94Å; Y306-K376 HydrophobicContact CE2-CB 4.49Å; Y306-K376 HydrophobicContact CE2-CD 4.08Å; Y306-L378 HydrophobicContact CD2-CB 4.03Å; Y306-L378 HydrophobicContact CD2-CD1 4.34Å; Y306-L378 HydrophobicContact CE2-CB 4.01Å; Y306-L378 HydrophobicContact CE2-CD1 3.6Å; Y306-L378 HydrophobicContact CE2-CG 4.33Å
307T87.7Confident82.6Confident2 Ų254.8 Ų54.81%0.01227%0.273CS..Hα-helixtrans-66.9-34.3177.854.10000112.4V288 V291 H292 L303 V304 G309 L310 L311V288-T307 HydrophobicContact CG1-CG2 4.5Å; V291-T307 HydrophobicContact CG1-CG2 4.04Å; H292-T307 HydrophobicContact CB-CG2 4.48Å; H292-T307 WeakPolarHBondContact CB-OG1 3.4Å; H292-T307 PolarHBondContact ND1-OG1 3.11Å; L303-T307 HydrophobicContact CD1-CG2 4.25Å; L303-T307 HydrophobicContact CG-CG2 4.41Å; L303-T307 WeakPolarHBondContact O-CB 3.4Å; L303-T307 VanDerWaalsContact O-CG2 3.3Å; L303-T307 WeakPolarHBondContact O-CG2 3.25Å; L303-T307 PolarHBondContact O-N 2.71Å; L303-T307 PolarHBondContact O-OG1 3.45Å; V304-T307 PolarHBondContact O-OG1 2.96Å; V304-T307 VanDerWaalsContact O-OG1 3.11Å; T307-G309 VanDerWaalsContact C-N 3.34Å; T307-L310 PolarHBondContact O-N 3.21Å; T307-L311 WeakPolarHBondContact O-CB 3.36Å; T307-L311 WeakPolarHBondContact O-CG 3.23Å; T307-L311 PolarHBondContact O-N 3.05Å
308A86.6Confident82.9Confident21 Ų2152.1 Ų52.117%0.17426%0.257CS..Hα-helixtrans-64.8-38.3172.700000112.1V304 Y306 N312 K313V304-A308 WeakPolarHBondContact O-CB 3.43Å; V304-A308 PolarHBondContact O-N 3.32Å; Y306-A308 PolarHBondContact O-N 3.48Å; A308-N312 PolarHBondContact O-N 2.95Å; A308-N312 VanDerWaalsContact O-N 3.09Å; A308-K313 HydrophobicContact CB-CB 4.4Å; A308-K313 PolarHBondContact O-N 3.03Å
309G82.4Confident83.3Confident10 Ų1048.2 Ų48.210%0.10324%0.24CC..Hα-helixtrans-61.8-45172.200000111.9R305 Y306 T307 N312R305-G309 PolarHBondContact O-N 3.48Å; Y306-G309 PolarHBondContact O-N 3.08Å; T307-G309 VanDerWaalsContact C-N 3.34Å; G309-N312 PolarHBondContact O-N 3.44Å; G309-N312 PolarHBondContact O-OD1 3.37Å
310L84.8Confident83.8Confident10 Ų1048.2 Ų48.25%0.05224%0.243CC..Hα-helixtrans-63.4-44.4176.9-168.860.3000112.2W265 V288 Y306 T307 N312 L378W265-L310 HydrophobicContact CB-CD1 4.21Å; W265-L310 HydrophobicContact CB-CD2 4.42Å; W265-L310 HydrophobicContact CD2-CD1 3.65Å; W265-L310 HydrophobicContact CD2-CD2 4.17Å; W265-L310 HydrophobicContact CD2-CG 3.76Å; W265-L310 HydrophobicContact CE3-CD1 4.31Å; W265-L310 HydrophobicContact CE3-CD2 4.06Å; W265-L310 HydrophobicContact CE3-CG 3.9Å; W265-L310 HydrophobicContact CG-CD1 3.58Å; W265-L310 HydrophobicContact CG-CD2 4.34Å; W265-L310 HydrophobicContact CG-CG 4.14Å; W265-L310 HydrophobicContact CH2-CG 4.45Å; W265-L310 WeakPolarHBondContact CH2-O 3.48Å; W265-L310 HydrophobicContact CZ2-CD1 4.42Å; W265-L310 HydrophobicContact CZ2-CG 4.34Å; W265-L310 WeakPolarHBondContact CZ2-O 3.5Å; W265-L310 HydrophobicContact CZ3-CG 4.22Å; V288-L310 HydrophobicContact CB-CD2 4.45Å; V288-L310 HydrophobicContact CG1-CB 4.36Å; V288-L310 HydrophobicContact CG1-CD2 3.81Å; V288-L310 HydrophobicContact CG1-CG 4.29Å; V288-L310 HydrophobicContact CG2-CD2 3.7Å; Y306-L310 PolarHBondContact O-N 2.94Å; T307-L310 PolarHBondContact O-N 3.21Å; L310-N312 PolarHBondContact O-N 2.61Å; L310-L378 HydrophobicContact CB-CD1 4.15Å; L310-L378 HydrophobicContact CD1-CD1 3.88Å
311L85.9Confident84.4Confident13 Ų1345.6 Ų45.67%0.06823%0.232CC..THydrogen-bonded Turntrans-74.8-1.4177.5-69171.4000114W265 R285 V288 E289 H292 T307 K313W265-L311 HydrophobicContact CH2-CD2 4.2Å; W265-L311 HydrophobicContact CZ3-CD2 4.19Å; R285-L311 HydrophobicContact CG-CD2 4.09Å; V288-L311 HydrophobicContact CB-CD2 4.04Å; V288-L311 HydrophobicContact CB-CG 4.4Å; V288-L311 HydrophobicContact CG1-CD1 3.98Å; V288-L311 HydrophobicContact CG1-CD2 3.75Å; V288-L311 HydrophobicContact CG1-CG 3.58Å; E289-L311 HydrophobicContact CB-CD1 4.5Å; E289-L311 HydrophobicContact CG-CD1 3.76Å; E289-L311 HydrophobicContact CG-CD2 3.75Å; E289-L311 HydrophobicContact CG-CG 4.43Å; H292-L311 HydrophobicContact CB-CD1 4.02Å; T307-L311 WeakPolarHBondContact O-CB 3.36Å; T307-L311 WeakPolarHBondContact O-CG 3.23Å; T307-L311 PolarHBondContact O-N 3.05Å; L311-K313 HydrophobicContact CB-CG 3.93Å; L311-K313 PolarHBondContact O-N 3.44Å
312N81.8Confident84.9Confident69 Ų6940 Ų4037%0.36921%0.211SC..THydrogen-bonded Turntrans56.133.9-178.8-65.6-33.8000114A308 G309 L310 R358A308-N312 PolarHBondContact O-N 2.95Å; A308-N312 VanDerWaalsContact O-N 3.09Å; G309-N312 PolarHBondContact O-N 3.44Å; G309-N312 PolarHBondContact O-OD1 3.37Å; L310-N312 PolarHBondContact O-N 2.61Å; N312-R358 VanDerWaalsContact CG-NH1 3.27Å; N312-R358 PolarHBondContact OD1-NE 3.3Å; N312-R358 PolarHBondContact OD1-NH1 3.27Å; N312-R358 PolarHBondContact OD1-NH2 2.85Å
313K82.1Confident85.4Confident98 Ų9838.5 Ų38.543%0.42621%0.21SC..  trans-65.8136.6-176.9-68-168.1175.1-170.30112.1H292 A308 L311H292-K313 PolarHBondContact CD2-NZ 2.91Å; H292-K313 PolarHBondContact NE2-NZ 3.33Å; A308-K313 HydrophobicContact CB-CB 4.4Å; A308-K313 PolarHBondContact O-N 3.03Å; L311-K313 HydrophobicContact CB-CG 3.93Å; L311-K313 PolarHBondContact O-N 3.44Å
314V76.5Confident85.8Confident52 Ų5239.3 Ų39.332%0.31522%0.216SC..  trans-123.2144.2175.8-159.60000109.5P350 L354V314-P350 HydrophobicContact CG1-CB 3.82Å; V314-L354 HydrophobicContact CB-CD1 4.36Å; V314-L354 HydrophobicContact CB-CG 4.36Å; V314-L354 HydrophobicContact CG1-CD2 4.38Å; V314-L354 HydrophobicContact CG1-CG 4.17Å; V314-L354 HydrophobicContact CG2-CD1 2.95Å; V314-L354 HydrophobicContact CG2-CD2 3.8Å; V314-L354 HydrophobicContact CG2-CG 3.27Å
315T80.5Confident86.1Confident89 Ų8938.3 Ų38.355%0.54621%0.21SC..  trans-113.9136.9170.5-48.90000108.6A317 L318T315-A317 HydrophobicContact CG2-CB 3.65Å; T315-A317 PolarHBondContact O-N 3.33Å; T315-A317 VanDerWaalsContact O-N 3.11Å; T315-L318 WeakPolarHBondContact O-CB 3.46Å; T315-L318 PolarHBondContact O-N 3.4Å
316E81.4Confident86.4Confident151 Ų15136.5 Ų36.571%0.70621%0.205SC*.Hα-helixtrans-56.5-25.8173.4-62.8-178.8170.300112.6L318 T319 N320E316-L318 PolarHBondContact O-N 2.93Å; E316-T319 PolarHBondContact O-N 3.26Å; E316-N320 PolarHBondContact O-N 2.93Å
317A84.8Confident86.7Confident39 Ų3942.7 Ų42.732%0.32224%0.237SC..Hα-helixtrans-53.7-33.2173.500000113.2T315 A321 I389T315-A317 HydrophobicContact CG2-CB 3.65Å; T315-A317 PolarHBondContact O-N 3.33Å; T315-A317 VanDerWaalsContact O-N 3.11Å; A317-A321 VanDerWaalsContact O-CB 3.25Å; A317-A321 WeakPolarHBondContact O-CB 3.46Å; A317-A321 PolarHBondContact O-N 3.07Å; A317-I389 HydrophobicContact CB-CD1 4.28Å; A317-I389 HydrophobicContact CB-CG1 4.47Å
318L88.1Confident86.8Confident2 Ų247.1 Ų47.11%0.0125%0.254CS..Hα-helixtrans-67.1-48.8177.6179.963.8000111.4T315 E316 N320 A321 V322 L353 I357 H385 L388 I389T315-L318 WeakPolarHBondContact O-CB 3.46Å; T315-L318 PolarHBondContact O-N 3.4Å; E316-L318 PolarHBondContact O-N 2.93Å; L318-N320 VanDerWaalsContact C-N 3.31Å; L318-N320 PolarHBondContact O-N 3.25Å; L318-A321 WeakPolarHBondContact O-CB 3.19Å; L318-A321 PolarHBondContact O-N 3.09Å; L318-V322 HydrophobicContact CD1-CG2 4.48Å; L318-V322 WeakPolarHBondContact O-CG2 3.45Å; L318-V322 PolarHBondContact O-N 2.96Å; L318-L353 HydrophobicContact CD2-CD2 3.97Å; L318-L353 HydrophobicContact CD2-CG 4.43Å; L318-L353 HydrophobicContact CG-CD2 3.8Å; L318-I357 HydrophobicContact CD2-CD1 4.12Å; L318-H385 HydrophobicContact CD1-CB 4.2Å; L318-H385 HydrophobicContact CD2-CB 4.23Å; L318-L388 HydrophobicContact CD1-CB 3.65Å; L318-L388 HydrophobicContact CD1-CD1 3.92Å; L318-L388 HydrophobicContact CD1-CG 4.45Å; L318-I389 HydrophobicContact CB-CD1 4.36Å; L318-I389 HydrophobicContact CB-CG1 4.31Å; L318-I389 HydrophobicContact CD1-CG1 4.24Å
319T89.5Confident87Confident21 Ų2154.2 Ų54.213%0.12928%0.283CS..Hα-helixtrans-62.4-41177.3-61.70000111.1E316 A321 V322 T323 Q348 P350E316-T319 PolarHBondContact O-N 3.26Å; T319-A321 VanDerWaalsContact C-N 3.34Å; T319-A321 PolarHBondContact O-N 2.83Å; T319-V322 PolarHBondContact O-N 2.96Å; T319-T323 VanDerWaalsContact O-CB 3.26Å; T319-T323 WeakPolarHBondContact O-CB 3.44Å; T319-T323 PolarHBondContact O-N 3.45Å; T319-T323 PolarHBondContact O-OG1 3.02Å; T319-Q348 WeakPolarHBondContact CG2-O 3.31Å; T319-P350 WeakPolarHBondContact OG1-CA 3.22Å; T319-P350 WeakPolarHBondContact OG1-CG 3.47Å
320N89.3Confident87.4Confident100 Ų10055 Ų5554%0.53528%0.284SS..Hα-helixtrans-63-40.5175.4-68.4-17.8000112E316 L318 A324E316-N320 PolarHBondContact O-N 2.93Å; L318-N320 VanDerWaalsContact C-N 3.31Å; L318-N320 PolarHBondContact O-N 3.25Å; N320-A324 WeakPolarHBondContact O-CB 3.37Å; N320-A324 PolarHBondContact O-N 3.23Å
321A90.2Very high87.8Confident1 Ų158.1 Ų58.11%0.00830%0.298CS..Hα-helixtrans-65-49.3177.300000112A317 L318 T319 T323 A324 L325 I389A317-A321 VanDerWaalsContact O-CB 3.25Å; A317-A321 WeakPolarHBondContact O-CB 3.46Å; A317-A321 PolarHBondContact O-N 3.07Å; L318-A321 WeakPolarHBondContact O-CB 3.19Å; L318-A321 PolarHBondContact O-N 3.09Å; T319-A321 VanDerWaalsContact C-N 3.34Å; T319-A321 PolarHBondContact O-N 2.83Å; A321-T323 VanDerWaalsContact C-N 3.32Å; A321-T323 PolarHBondContact O-N 3.31Å; A321-A324 PolarHBondContact O-N 3.28Å; A321-L325 WeakPolarHBondContact O-CG 3.32Å; A321-L325 PolarHBondContact O-N 3.06Å; A321-L325 VanDerWaalsContact O-N 3.09Å; A321-I389 HydrophobicContact CB-CG1 4.43Å
322V91.8Very high88.1Confident1 Ų157.5 Ų57.51%0.00630%0.295CS..Hα-helixtrans-61.6-41.7176.7172.80000111.1L318 T319 A324 L325 I326 I344 L353 L388L318-V322 HydrophobicContact CD1-CG2 4.48Å; L318-V322 WeakPolarHBondContact O-CG2 3.45Å; L318-V322 PolarHBondContact O-N 2.96Å; T319-V322 PolarHBondContact O-N 2.96Å; V322-A324 PolarHBondContact O-N 2.9Å; V322-L325 WeakPolarHBondContact O-CB 3.47Å; V322-L325 PolarHBondContact O-N 3.36Å; V322-I326 HydrophobicContact CG1-CD1 3.69Å; V322-I326 HydrophobicContact CG1-CG1 4.38Å; V322-I326 WeakPolarHBondContact O-CG1 3.44Å; V322-I326 PolarHBondContact O-N 2.84Å; V322-I344 HydrophobicContact CG1-CD1 4.18Å; V322-I344 HydrophobicContact CG1-CG2 4.17Å; V322-L353 HydrophobicContact CB-CD2 4.38Å; V322-L353 HydrophobicContact CG2-CD2 3.94Å; V322-L388 HydrophobicContact CG2-CD1 4.43Å; V322-L388 HydrophobicContact CG2-CD2 4.38Å
323T91.8Very high88.5Confident37 Ų3754.4 Ų54.423%0.22728%0.278CS..Hα-helixtrans-62.2-42.5176-57.80000111.5T319 A321 L325 I326 I327 P347T319-T323 VanDerWaalsContact O-CB 3.26Å; T319-T323 WeakPolarHBondContact O-CB 3.44Å; T319-T323 PolarHBondContact O-N 3.45Å; T319-T323 PolarHBondContact O-OG1 3.02Å; A321-T323 VanDerWaalsContact C-N 3.32Å; A321-T323 PolarHBondContact O-N 3.31Å; T323-L325 VanDerWaalsContact C-N 3.25Å; T323-L325 PolarHBondContact O-N 2.94Å; T323-I326 PolarHBondContact O-N 3.18Å; T323-I327 HydrophobicContact CG2-CD1 3.61Å; T323-I327 HydrophobicContact CG2-CG1 4.19Å; T323-I327 WeakPolarHBondContact O-CB 3.43Å; T323-I327 VanDerWaalsContact O-CG1 3.28Å; T323-I327 WeakPolarHBondContact O-CG1 3.32Å; T323-I327 PolarHBondContact O-N 3.34Å; T323-P347 HydrophobicContact CG2-CB 4.36Å
324A90.9Very high88.8Confident16 Ų1649.7 Ų49.713%0.13226%0.258CS..Hα-helixtrans-64.8-27.9177.400000113.5N320 A321 V322 R328 I395 R396N320-A324 WeakPolarHBondContact O-CB 3.37Å; N320-A324 PolarHBondContact O-N 3.23Å; A321-A324 PolarHBondContact O-N 3.28Å; V322-A324 PolarHBondContact O-N 2.9Å; A324-R328 PolarHBondContact O-NH1 3.25Å; A324-I395 HydrophobicContact CB-CG2 4.39Å; A324-R396 HydrophobicContact CB-CG 4.22Å
325L92.3Very high89.1Confident0 Ų047.3 Ų47.30%024%0.244CC..Hα-helixtrans-73.2-49.9172.8-68.5169.3000110.9A321 V322 T323 I327 R328 K330 V332 L388 L391 I395 L408A321-L325 WeakPolarHBondContact O-CG 3.32Å; A321-L325 PolarHBondContact O-N 3.06Å; A321-L325 VanDerWaalsContact O-N 3.09Å; V322-L325 WeakPolarHBondContact O-CB 3.47Å; V322-L325 PolarHBondContact O-N 3.36Å; T323-L325 VanDerWaalsContact C-N 3.25Å; T323-L325 PolarHBondContact O-N 2.94Å; L325-I327 PolarHBondContact O-N 3.35Å; L325-R328 PolarHBondContact O-N 2.84Å; L325-K330 WeakPolarHBondContact O-CB 3.34Å; L325-K330 PolarHBondContact O-N 3.44Å; L325-K330 VanDerWaalsContact O-N 3.16Å; L325-V332 HydrophobicContact CB-CG2 3.69Å; L325-V332 HydrophobicContact CD1-CG2 3.68Å; L325-V332 HydrophobicContact CG-CG2 4.26Å; L325-L388 HydrophobicContact CD1-CD2 4.45Å; L325-L391 HydrophobicContact CD1-CB 4.23Å; L325-I395 HydrophobicContact CD2-CB 3.97Å; L325-I395 HydrophobicContact CD2-CD1 3.67Å; L325-I395 HydrophobicContact CD2-CG1 4.39Å; L325-I395 HydrophobicContact CD2-CG2 3.68Å; L325-I395 HydrophobicContact CG-CG2 4.3Å; L325-L408 HydrophobicContact CD1-CD1 4.13Å; L325-L408 HydrophobicContact CD2-CD1 3.45Å; L325-L408 VanDerWaalsContact CD2-CD1 3.45Å; L325-L408 HydrophobicContact CG-CD1 4.35Å
326I91.8Very high89.1Confident34 Ų3443.1 Ų43.117%0.17422%0.218CC..Hα-helixtrans-65.5-41.8-176.7-64.6169.3000112V322 T323 R328 Q329 I344V322-I326 HydrophobicContact CG1-CD1 3.69Å; V322-I326 HydrophobicContact CG1-CG1 4.38Å; V322-I326 WeakPolarHBondContact O-CG1 3.44Å; V322-I326 PolarHBondContact O-N 2.84Å; T323-I326 PolarHBondContact O-N 3.18Å; I326-R328 PolarHBondContact O-N 2.97Å; I326-Q329 PolarHBondContact O-N 3.22Å; I326-I344 HydrophobicContact CD1-CG2 3.83Å
327I91.3Very high88.9Confident130 Ų13038.2 Ų38.267%0.66720%0.199SC*.Hα-helixtrans-58.6-32.2178.3-71.9171.1000111.7T323 L325 Q329T323-I327 HydrophobicContact CG2-CD1 3.61Å; T323-I327 HydrophobicContact CG2-CG1 4.19Å; T323-I327 WeakPolarHBondContact O-CB 3.43Å; T323-I327 VanDerWaalsContact O-CG1 3.28Å; T323-I327 WeakPolarHBondContact O-CG1 3.32Å; T323-I327 PolarHBondContact O-N 3.34Å; L325-I327 PolarHBondContact O-N 3.35Å; I327-Q329 PolarHBondContact O-N 3.18Å
328R89.4Confident88.4Confident95 Ų9542.7 Ų42.736%0.35822%0.218SC..THydrogen-bonded Turntrans-88.322.2177.7-69.1180176.3116.4-7.4113.2A324 L325 I326 K330 I395A324-R328 PolarHBondContact O-NH1 3.25Å; L325-R328 PolarHBondContact O-N 2.84Å; I326-R328 PolarHBondContact O-N 2.97Å; R328-K330 HydrophobicContact CB-CG 4.39Å; R328-K330 PolarHBondContact O-N 2.82Å; R328-I395 HydrophobicContact CB-CD1 3.77Å; R328-I395 VanDerWaalsContact CD-CG1 3.48Å; R328-I395 HydrophobicContact CG-CD1 4.28Å; R328-I395 PolarHBondContact NE-O 3.48Å; R328-I395 VanDerWaalsContact NH1-CG2 3.31Å; R328-I395 PolarHBondContact NH1-O 2.94Å; R328-I395 VanDerWaalsContact NH1-O 3.07Å; R328-I395 PolarHBondContact NH2-O 3.26Å
329Q90.4Very high87.7Confident170 Ų17044.7 Ų44.779%0.79423%0.23SC*.THydrogen-bonded Turntrans57.831.1177.9-57.2175.4-23.500112.8I326 I327I326-Q329 PolarHBondContact O-N 3.22Å; I327-Q329 PolarHBondContact O-N 3.18Å
330K91.4Very high87.2Confident27 Ų2747.7 Ų47.712%0.11724%0.239CC..  trans-97.2119.9173.7-52.9-54.7-179.5-176.50109.5L325 R328 I395 F402 M405L325-K330 WeakPolarHBondContact O-CB 3.34Å; L325-K330 PolarHBondContact O-N 3.44Å; L325-K330 VanDerWaalsContact O-N 3.16Å; R328-K330 HydrophobicContact CB-CG 4.39Å; R328-K330 PolarHBondContact O-N 2.82Å; K330-I395 HydrophobicContact CB-CD1 4.44Å; K330-I395 HydrophobicContact CG-CD1 3.53Å; K330-F402 VanDerWaalsContact CE-O 3.27Å; K330-F402 WeakPolarHBondContact CE-O 3.41Å; K330-F402 PolarHBondContact NZ-O 2.7Å; K330-M405 WeakPolarHBondContact CD-O 3Å; K330-M405 WeakPolarHBondContact CE-O 3.48Å; K330-M405 PolarHBondContact NZ-O 3.23Å
331E92Very high87.1Confident76 Ų7645.6 Ų45.636%0.35523%0.226SC..EExtended strand (participates in β ladder)trans-74.9130.2172.5-63.5-168.3144.900109.6L406 R407 L408E331-L406 PolarHBondContact N-O 3.36Å; E331-R407 HydrophobicContact CB-CB 4.15Å; E331-R407 HydrophobicContact CB-CG 4.09Å; E331-R407 CarbonylContact O-C 3.48Å; E331-R407 VanDerWaalsContact O-CA 3.31Å; E331-R407 WeakPolarHBondContact O-CA 3.17Å; E331-R407 IonicContact OE2-CZ 3.23Å; E331-R407 VanDerWaalsContact OE2-CZ 3.23Å; E331-R407 IonicContact OE2-NE 3.2Å; E331-R407 PolarHBondContact OE2-NE 3.24Å; E331-R407 IonicContact OE2-NH2 2.75Å; E331-R407 PolarHBondContact OE2-NH2 3.27Å; E331-L408 PolarHBondContact O-N 3.14Å
332V92.8Very high87Confident0 Ų049.3 Ų49.30%024%0.242CC..EExtended strand (participates in β ladder)trans-109.6125.6178.3-177.90000109.1L325 I344 L388 V410L325-V332 HydrophobicContact CB-CG2 3.69Å; L325-V332 HydrophobicContact CD1-CG2 3.68Å; L325-V332 HydrophobicContact CG-CG2 4.26Å; V332-I344 HydrophobicContact CB-CD1 4.44Å; V332-I344 HydrophobicContact CG1-CD1 4.2Å; V332-I344 PolarHBondContact O-N 3.16Å; V332-L388 HydrophobicContact CG1-CD2 3.59Å; V332-V410 HydrophobicContact CG1-CG2 3.95Å
333T91.4Very high87Confident3 Ų356.3 Ų56.32%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-114.6140.5175.164.20000111.7E341 K342 R343 R407 L408 R409 V410T333-E341 WeakPolarHBondContact CB-OE1 3.03Å; T333-E341 HydrophobicContact CG2-CG 4.21Å; T333-E341 PolarHBondContact OG1-OE1 2.92Å; T333-K342 WeakPolarHBondContact CA-O 3.24Å; T333-R343 HydrophobicContact CG2-CB 3.95Å; T333-R407 HydrophobicContact CG2-CG 3.91Å; T333-L408 PolarHBondContact N-O 3.38Å; T333-L408 PolarHBondContact OG1-O 3.4Å; T333-R409 WeakPolarHBondContact OG1-CA 3.34Å; T333-V410 WeakPolarHBondContact O-CB 3.41Å; T333-V410 WeakPolarHBondContact O-CG2 3.24Å; T333-V410 PolarHBondContact O-N 3.49Å
334I88.4Confident86.9Confident0 Ų055 Ų550%026%0.26CS..EExtended strand (participates in β ladder)trans-114.9141178.3-65.8158.1000108.6E341 K342 I344 F356 I357 V360 F384I334-E341 WeakPolarHBondContact O-CA 3.46Å; I334-K342 PolarHBondContact N-O 3.04Å; I334-K342 PolarHBondContact O-N 3.44Å; I334-I344 HydrophobicContact CD1-CD1 3.39Å; I334-I344 HydrophobicContact CD1-CG1 4Å; I334-I344 HydrophobicContact CG1-CD1 4.25Å; I334-F356 HydrophobicContact CB-CE1 4.32Å; I334-F356 HydrophobicContact CD1-CD1 3.77Å; I334-F356 HydrophobicContact CD1-CE1 3.62Å; I334-F356 HydrophobicContact CG1-CE1 4.48Å; I334-I357 HydrophobicContact CD1-CD1 4.29Å; I334-I357 HydrophobicContact CD1-CG1 3.51Å; I334-V360 HydrophobicContact CG2-CB 4.23Å; I334-V360 HydrophobicContact CG2-CG1 4.08Å; I334-F384 HydrophobicContact CG2-CD1 4.12Å; I334-F384 HydrophobicContact CG2-CE1 4.1Å
335G82.4Confident86.5Confident2 Ų258.4 Ų58.42%0.02128%0.279CS..EExtended strand (participates in β ladder)trans96.8-168.7-176.700000112.7R340 G411G335-R340 CarbonylContact C-O 3.14Å; G335-R340 VanDerWaalsContact CA-O 3.28Å; G335-R340 WeakPolarHBondContact CA-O 3.39Å; G335-G411 VanDerWaalsContact O-CA 3.3Å; G335-G411 WeakPolarHBondContact O-CA 3.35Å
336L80.6Confident86.2Confident1 Ų161 Ų611%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-116.5135.7-174-80.2157.5000110.1N338 V339 R340 M369 L370 L412 Q415L336-N338 PolarHBondContact O-N 3.38Å; L336-V339 HydrophobicContact CB-CG2 4.49Å; L336-V339 PolarHBondContact O-N 3.14Å; L336-V339 VanDerWaalsContact O-N 3.07Å; L336-R340 PolarHBondContact N-O 2.89Å; L336-R340 CarbonylContact O-C 3.19Å; L336-R340 PolarHBondContact O-N 3.23Å; L336-M369 HydrophobicContact CB-CE 3.84Å; L336-M369 HydrophobicContact CD1-CE 3.61Å; L336-M369 HydrophobicContact CD2-CE 4.08Å; L336-M369 HydrophobicContact CG-CE 4.05Å; L336-L370 HydrophobicContact CD1-CD1 3.77Å; L336-L370 HydrophobicContact CD1-CD2 3.77Å; L336-L370 HydrophobicContact CD1-CG 3.45Å; L336-L370 VanDerWaalsContact CD1-CG 3.45Å; L336-L412 HydrophobicContact CD2-CD2 4.06Å; L336-Q415 HydrophobicContact CD2-CB 4.37Å
337P77.2Confident85.9Confident47 Ų4762.8 Ų62.831%0.30531%0.311SS..THydrogen-bonded Turntrans-55.1-38.3-177.6-24.331000113.5V339 E341 L412P337-V339 PolarHBondContact O-N 3.14Å; P337-E341 WeakPolarHBondContact CG-OE2 3.07Å; P337-L412 HydrophobicContact CG-CD1 4.09Å; P337-L412 HydrophobicContact CG-CD2 4.09Å; P337-L412 HydrophobicContact CG-CG 4.11Å
338N73.9Confident85.7Confident133 Ų13359.4 Ų59.471%0.71129%0.292SS*.THydrogen-bonded Turntrans-77.4-3.1-175.4-56.4-13.8000113.7L336 M369L336-N338 PolarHBondContact O-N 3.38Å; N338-M369 HydrophobicContact CB-CE 4.04Å
339V74.2Confident85.6Confident44 Ų4457.7 Ų57.727%0.26729%0.294SS..THydrogen-bonded Turntrans-131.9-63.1-175.1-171.40000111.5L336 P337 Q365 C366 M369L336-V339 HydrophobicContact CB-CG2 4.49Å; L336-V339 PolarHBondContact O-N 3.14Å; L336-V339 VanDerWaalsContact O-N 3.07Å; P337-V339 PolarHBondContact O-N 3.14Å; V339-Q365 VanDerWaalsContact CG1-C 3.42Å; V339-Q365 HydrophobicContact CG1-CB 3.52Å; V339-C366 VanDerWaalsContact CB-SG 3.55Å; V339-C366 HydrophobicContact CG1-CB 4.1Å; V339-C366 VanDerWaalsContact CG1-N 3.34Å; V339-C366 WeakPolarHBondContact CG1-SG 3.49Å; V339-M369 HydrophobicContact CG2-CB 4.47Å; V339-M369 HydrophobicContact CG2-CE 3.87Å; V339-M369 HydrophobicContact CG2-SD 4.36Å
340R79Confident85.3Confident84 Ų8451.8 Ų51.832%0.31727%0.27SS..EExtended strand (participates in β ladder)trans-165.3115.8178.7-178.2178.4-70.1175.85.1108G335 L336 K342 S359 V360 D363G335-R340 CarbonylContact C-O 3.14Å; G335-R340 VanDerWaalsContact CA-O 3.28Å; G335-R340 WeakPolarHBondContact CA-O 3.39Å; L336-R340 PolarHBondContact N-O 2.89Å; L336-R340 CarbonylContact O-C 3.19Å; L336-R340 PolarHBondContact O-N 3.23Å; R340-K342 HydrophobicContact CG-CG 4.43Å; R340-S359 PolarHBondContact NH1-O 2.87Å; R340-V360 HydrophobicContact CG-CG1 4.39Å; R340-D363 IonicContact CZ-OD2 3.56Å; R340-D363 IonicContact NH1-OD1 3.69Å; R340-D363 IonicContact NH1-OD2 2.71Å; R340-D363 PolarHBondContact NH1-OD2 3.39Å; R340-D363 IonicContact NH2-OD2 3.73Å; R340-D363 PolarHBondContact NH2-OD2 3.4Å
341E85.4Confident85Confident56 Ų5658.9 Ų58.926%0.26230%0.301SS..EExtended strand (participates in β ladder)trans-120122.2173.5-175.8176-166.800107.9T333 I334 P337 R409T333-E341 WeakPolarHBondContact CB-OE1 3.03Å; T333-E341 HydrophobicContact CG2-CG 4.21Å; T333-E341 PolarHBondContact OG1-OE1 2.92Å; I334-E341 WeakPolarHBondContact O-CA 3.46Å; P337-E341 WeakPolarHBondContact CG-OE2 3.07Å; E341-R409 WeakPolarHBondContact OE1-CD 3.33Å; E341-R409 WeakPolarHBondContact OE1-CG 3.37Å; E341-R409 IonicContact OE1-NE 2.83Å
342K89.1Confident84.8Confident79 Ų7960.4 Ų60.434%0.34331%0.308SS..EExtended strand (participates in β ladder)trans-115.7135.4173.4-64.4-167.3-170.1169.50110.1T333 I334 R340 F356 V360T333-K342 WeakPolarHBondContact CA-O 3.24Å; I334-K342 PolarHBondContact N-O 3.04Å; I334-K342 PolarHBondContact O-N 3.44Å; R340-K342 HydrophobicContact CG-CG 4.43Å; K342-F356 HydrophobicContact CB-CE1 4.23Å; K342-F356 HydrophobicContact CB-CE2 3.97Å; K342-F356 HydrophobicContact CB-CZ 3.4Å; K342-F356 VanDerWaalsContact CB-CZ 3.4Å; K342-F356 HydrophobicContact CD-CE2 4.02Å; K342-F356 HydrophobicContact CD-CZ 4.26Å; K342-F356 HydrophobicContact CG-CZ 4.48Å; K342-V360 HydrophobicContact CB-CG2 3.84Å; K342-V360 HydrophobicContact CD-CG2 3.59Å; K342-V360 HydrophobicContact CG-CG2 3.76Å
343R90.8Very high84.6Confident148 Ų14860.5 Ų60.556%0.55831%0.308SS*.EExtended strand (participates in β ladder)trans-88135.6177.570.3-171.8-130.6-77.71.8111.6T333 V345T333-R343 HydrophobicContact CG2-CB 3.95Å; R343-V345 HydrophobicContact CG-CG2 3.87Å
344I89.4Confident84.2Confident9 Ų960.9 Ų60.95%0.04631%0.31CS..EExtended strand (participates in β ladder)trans-88.9113.6167.3-57.3165.5000107.1V322 I326 V332 I334 S346 L353 F356V322-I344 HydrophobicContact CG1-CD1 4.18Å; V322-I344 HydrophobicContact CG1-CG2 4.17Å; I326-I344 HydrophobicContact CD1-CG2 3.83Å; V332-I344 HydrophobicContact CB-CD1 4.44Å; V332-I344 HydrophobicContact CG1-CD1 4.2Å; V332-I344 PolarHBondContact O-N 3.16Å; I334-I344 HydrophobicContact CD1-CD1 3.39Å; I334-I344 HydrophobicContact CD1-CG1 4Å; I334-I344 HydrophobicContact CG1-CD1 4.25Å; I344-S346 VanDerWaalsContact CG2-O 3.3Å; I344-S346 WeakPolarHBondContact CG2-O 3.27Å; I344-L353 HydrophobicContact CD1-CD1 3.82Å; I344-F356 HydrophobicContact CD1-CE1 4.41Å; I344-F356 HydrophobicContact CG1-CD1 4.22Å; I344-F356 HydrophobicContact CG1-CE1 3.67Å; I344-F356 HydrophobicContact CG1-CZ 4.14Å
345V82.5Confident84Confident88 Ų8865.3 Ų65.353%0.53334%0.337SS..  trans-91.5-33-176.2-173.50000111.9R343R343-V345 HydrophobicContact CG-CG2 3.87Å
346S86.6Confident84.3Confident54 Ų5467.6 Ų67.638%0.37835%0.347SS..SBendtrans-136.7153.6-173.856.30000110.7I344 Q348I344-S346 VanDerWaalsContact CG2-O 3.3Å; I344-S346 WeakPolarHBondContact CG2-O 3.27Å; S346-Q348 WeakPolarHBondContact O-CG 3.33Å; S346-Q348 PolarHBondContact O-N 3.37Å; S346-Q348 PolarHBondContact O-NE2 2.95Å; S346-Q348 PolarHBondContact OG-NE2 3.21Å
347P86.9Confident84.4Confident73 Ų7367.6 Ų67.647%0.47435%0.347SS..  trans-61124.3175.325.5-33.5000109.8T323T323-P347 HydrophobicContact CG2-CB 4.36Å
348Q86.4Confident84.6Confident59 Ų5968 Ų6828%0.27634%0.342SS..  trans-105.9146.2-179.9-60.3-64.8-61.300109.9T319 S346 E352 L353T319-Q348 WeakPolarHBondContact CG2-O 3.31Å; S346-Q348 WeakPolarHBondContact O-CG 3.33Å; S346-Q348 PolarHBondContact O-N 3.37Å; S346-Q348 PolarHBondContact O-NE2 2.95Å; S346-Q348 PolarHBondContact OG-NE2 3.21Å; Q348-E352 HydrophobicContact CB-CB 4.43Å; Q348-E352 PolarHBondContact OE1-OE2 3.21Å; Q348-L353 HydrophobicContact CB-CB 4.18Å
349P86.9Confident85Confident59 Ų5963.7 Ų63.738%0.38332%0.322SS..  trans-63.3157.3173.527.2-33.3000111.2K351 E352 L353P349-K351 VanDerWaalsContact C-N 3.27Å; P349-K351 PolarHBondContact O-N 2.77Å; P349-K351 VanDerWaalsContact O-N 3.11Å; P349-E352 VanDerWaalsContact CD-OE2 3.24Å; P349-E352 WeakPolarHBondContact CD-OE2 3.33Å; P349-E352 HydrophobicContact CG-CB 3.88Å; P349-E352 HydrophobicContact CG-CG 3.75Å; P349-E352 WeakPolarHBondContact CG-OE1 3.48Å; P349-E352 WeakPolarHBondContact CG-OE2 3.32Å; P349-E352 PolarHBondContact O-N 3.08Å; P349-E352 VanDerWaalsContact O-N 3.1Å; P349-L353 WeakPolarHBondContact O-CB 3.17Å; P349-L353 PolarHBondContact O-N 3.03Å
350P84.5Confident85.4Confident45 Ų4561.6 Ų61.629%0.29231%0.31SS..Hα-helixtrans-55.6-37.1-170.1-23.228.4000114.7V314 T319 L354V314-P350 HydrophobicContact CG1-CB 3.82Å; T319-P350 WeakPolarHBondContact OG1-CA 3.22Å; T319-P350 WeakPolarHBondContact OG1-CG 3.47Å; P350-L354 PolarHBondContact O-N 2.74Å; P350-L354 VanDerWaalsContact O-N 3.14Å
351K85.4Confident85.3Confident177 Ų17757.6 Ų57.677%0.7730%0.295SS*.Hα-helixtrans-71.6-41179.9-66.3-1771801790112.5P349 L354 T355P349-K351 VanDerWaalsContact C-N 3.27Å; P349-K351 PolarHBondContact O-N 2.77Å; P349-K351 VanDerWaalsContact O-N 3.11Å; K351-L354 WeakPolarHBondContact O-CB 3.33Å; K351-T355 PolarHBondContact O-N 2.68Å; K351-T355 VanDerWaalsContact O-N 3.17Å; K351-T355 PolarHBondContact O-OG1 2.71Å
352E87.8Confident84.4Confident108 Ų10857.8 Ų57.851%0.50530%0.302SS..Hα-helixtrans-71.2-40.4178.5-70.3170.7-153.400110.7Q348 P349 L354 T355 F356Q348-E352 HydrophobicContact CB-CB 4.43Å; Q348-E352 PolarHBondContact OE1-OE2 3.21Å; P349-E352 VanDerWaalsContact CD-OE2 3.24Å; P349-E352 WeakPolarHBondContact CD-OE2 3.33Å; P349-E352 HydrophobicContact CG-CB 3.88Å; P349-E352 HydrophobicContact CG-CG 3.75Å; P349-E352 WeakPolarHBondContact CG-OE1 3.48Å; P349-E352 WeakPolarHBondContact CG-OE2 3.32Å; P349-E352 PolarHBondContact O-N 3.08Å; P349-E352 VanDerWaalsContact O-N 3.1Å; E352-L354 VanDerWaalsContact C-N 3.32Å; E352-L354 PolarHBondContact O-N 2.88Å; E352-T355 PolarHBondContact O-N 3.42Å; E352-F356 WeakPolarHBondContact O-CB 3.45Å; E352-F356 PolarHBondContact O-N 2.77Å
353L87.1Confident83.1Confident1 Ų157.2 Ų57.21%0.00530%0.303CS..Hα-helixtrans-60-41.6175.4-176.259.6000112L318 V322 I344 Q348 P349 F356 I357L318-L353 HydrophobicContact CD2-CD2 3.97Å; L318-L353 HydrophobicContact CD2-CG 4.43Å; L318-L353 HydrophobicContact CG-CD2 3.8Å; V322-L353 HydrophobicContact CB-CD2 4.38Å; V322-L353 HydrophobicContact CG2-CD2 3.94Å; I344-L353 HydrophobicContact CD1-CD1 3.82Å; Q348-L353 HydrophobicContact CB-CB 4.18Å; P349-L353 WeakPolarHBondContact O-CB 3.17Å; P349-L353 PolarHBondContact O-N 3.03Å; L353-F356 WeakPolarHBondContact O-CB 3.25Å; L353-F356 PolarHBondContact O-N 3.29Å; L353-I357 HydrophobicContact CD1-CD1 4.24Å; L353-I357 HydrophobicContact CG-CD1 4.04Å; L353-I357 VanDerWaalsContact O-CG1 3.28Å; L353-I357 WeakPolarHBondContact O-CG1 3.42Å; L353-I357 PolarHBondContact O-N 3.35Å
354L83.1Confident81.5Confident11 Ų1156.7 Ų56.76%0.05831%0.311CS..Hα-helixtrans-58.6-51.9171.9-89.8-162.1000112.7V314 P350 K351 E352 F356 I357 R358 H385V314-L354 HydrophobicContact CB-CD1 4.36Å; V314-L354 HydrophobicContact CB-CG 4.36Å; V314-L354 HydrophobicContact CG1-CD2 4.38Å; V314-L354 HydrophobicContact CG1-CG 4.17Å; V314-L354 HydrophobicContact CG2-CD1 2.95Å; V314-L354 HydrophobicContact CG2-CD2 3.8Å; V314-L354 HydrophobicContact CG2-CG 3.27Å; P350-L354 PolarHBondContact O-N 2.74Å; P350-L354 VanDerWaalsContact O-N 3.14Å; K351-L354 WeakPolarHBondContact O-CB 3.33Å; E352-L354 VanDerWaalsContact C-N 3.32Å; E352-L354 PolarHBondContact O-N 2.88Å; L354-F356 PolarHBondContact O-N 2.9Å; L354-I357 PolarHBondContact O-N 3.3Å; L354-R358 WeakPolarHBondContact O-CB 3.16Å; L354-R358 WeakPolarHBondContact O-CG 3.43Å; L354-R358 PolarHBondContact O-N 2.8Å; L354-H385 WeakPolarHBondContact CD2-CE1 3.11Å
355T85.4Confident79.8Confident93 Ų9363.3 Ų63.357%0.57134%0.342SS*.Hα-helixtrans-61.6-37.5-176.8-56.50000109.7K351 E352 S359K351-T355 PolarHBondContact O-N 2.68Å; K351-T355 VanDerWaalsContact O-N 3.17Å; K351-T355 PolarHBondContact O-OG1 2.71Å; E352-T355 PolarHBondContact O-N 3.42Å; T355-S359 VanDerWaalsContact O-CB 3.27Å; T355-S359 WeakPolarHBondContact O-CB 3.43Å; T355-S359 PolarHBondContact O-N 3.1Å
356F87.3Confident78.3Confident50 Ų5059.2 Ų59.222%0.21932%0.317CS..Hα-helixtrans-59.9-55.4171.9-178.9-92000111.9I334 K342 I344 E352 L353 L354 R358 S359 V360I334-F356 HydrophobicContact CB-CE1 4.32Å; I334-F356 HydrophobicContact CD1-CD1 3.77Å; I334-F356 HydrophobicContact CD1-CE1 3.62Å; I334-F356 HydrophobicContact CG1-CE1 4.48Å; K342-F356 HydrophobicContact CB-CE1 4.23Å; K342-F356 HydrophobicContact CB-CE2 3.97Å; K342-F356 HydrophobicContact CB-CZ 3.4Å; K342-F356 VanDerWaalsContact CB-CZ 3.4Å; K342-F356 HydrophobicContact CD-CE2 4.02Å; K342-F356 HydrophobicContact CD-CZ 4.26Å; K342-F356 HydrophobicContact CG-CZ 4.48Å; I344-F356 HydrophobicContact CD1-CE1 4.41Å; I344-F356 HydrophobicContact CG1-CD1 4.22Å; I344-F356 HydrophobicContact CG1-CE1 3.67Å; I344-F356 HydrophobicContact CG1-CZ 4.14Å; E352-F356 WeakPolarHBondContact O-CB 3.45Å; E352-F356 PolarHBondContact O-N 2.77Å; L353-F356 WeakPolarHBondContact O-CB 3.25Å; L353-F356 PolarHBondContact O-N 3.29Å; L354-F356 PolarHBondContact O-N 2.9Å; F356-R358 VanDerWaalsContact C-N 3.32Å; F356-R358 PolarHBondContact O-N 2.94Å; F356-S359 PolarHBondContact O-N 2.69Å; F356-S359 VanDerWaalsContact O-N 3.13Å; F356-S359 PolarHBondContact O-OG 3.49Å; F356-V360 HydrophobicContact CE1-CG2 4.29Å; F356-V360 HydrophobicContact CZ-CG2 4.46Å; F356-V360 WeakPolarHBondContact O-CG2 3.48Å; F356-V360 PolarHBondContact O-N 3.1Å; F356-V360 VanDerWaalsContact O-N 3.13Å
357I84.2Confident76.7Confident1 Ų157 Ų571%0.00530%0.303CS..Hα-helixtrans-56.6-47.8179.6-69163.4000110.2L318 I334 L353 L354 S359 V360 M361 H385 L388L318-I357 HydrophobicContact CD2-CD1 4.12Å; I334-I357 HydrophobicContact CD1-CD1 4.29Å; I334-I357 HydrophobicContact CD1-CG1 3.51Å; L353-I357 HydrophobicContact CD1-CD1 4.24Å; L353-I357 HydrophobicContact CG-CD1 4.04Å; L353-I357 VanDerWaalsContact O-CG1 3.28Å; L353-I357 WeakPolarHBondContact O-CG1 3.42Å; L353-I357 PolarHBondContact O-N 3.35Å; L354-I357 PolarHBondContact O-N 3.3Å; I357-S359 PolarHBondContact O-N 3.4Å; I357-V360 PolarHBondContact O-N 2.88Å; I357-M361 HydrophobicContact CG2-CG 4.25Å; I357-M361 WeakPolarHBondContact O-CB 3.39Å; I357-M361 WeakPolarHBondContact O-CG 3.32Å; I357-M361 PolarHBondContact O-N 3.49Å; I357-H385 WeakPolarHBondContact CD1-NE2 3.36Å; I357-L388 HydrophobicContact CD1-CD1 4.38Å
358R81.1Confident74.9Confident56 Ų5658 Ų5821%0.21131%0.307CS..Hα-helixtrans-61.3-44.2176.8-71.9-174.4-173.9131.720112.2N312 L354 F356 V360 M361 S362N312-R358 VanDerWaalsContact CG-NH1 3.27Å; N312-R358 PolarHBondContact OD1-NE 3.3Å; N312-R358 PolarHBondContact OD1-NH1 3.27Å; N312-R358 PolarHBondContact OD1-NH2 2.85Å; L354-R358 WeakPolarHBondContact O-CB 3.16Å; L354-R358 WeakPolarHBondContact O-CG 3.43Å; L354-R358 PolarHBondContact O-N 2.8Å; F356-R358 VanDerWaalsContact C-N 3.32Å; F356-R358 PolarHBondContact O-N 2.94Å; R358-V360 PolarHBondContact O-N 3.1Å; R358-V360 VanDerWaalsContact O-N 3.16Å; R358-M361 PolarHBondContact O-N 3.24Å; R358-M361 VanDerWaalsContact O-N 3.07Å; R358-S362 VanDerWaalsContact O-CB 3.24Å; R358-S362 WeakPolarHBondContact O-CB 3.22Å; R358-S362 PolarHBondContact O-N 3.09Å; R358-S362 PolarHBondContact O-OG 3.22Å
359S82.8Confident73.1Confident42 Ų4257.6 Ų57.629%0.29431%0.306SS..Hα-helixtrans-59.9-28.6179.179.30000113.2R340 T355 F356 I357R340-S359 PolarHBondContact NH1-O 2.87Å; T355-S359 VanDerWaalsContact O-CB 3.27Å; T355-S359 WeakPolarHBondContact O-CB 3.43Å; T355-S359 PolarHBondContact O-N 3.1Å; F356-S359 PolarHBondContact O-N 2.69Å; F356-S359 VanDerWaalsContact O-N 3.13Å; F356-S359 PolarHBondContact O-OG 3.49Å; I357-S359 PolarHBondContact O-N 3.4Å
360V82.4Confident71.5Confident0 Ų055.2 Ų55.20%029%0.29CS..Hα-helixtrans-80.7-39.8176.4178.20000110.6I334 R340 K342 F356 I357 R358I334-V360 HydrophobicContact CG2-CB 4.23Å; I334-V360 HydrophobicContact CG2-CG1 4.08Å; R340-V360 HydrophobicContact CG-CG1 4.39Å; K342-V360 HydrophobicContact CB-CG2 3.84Å; K342-V360 HydrophobicContact CD-CG2 3.59Å; K342-V360 HydrophobicContact CG-CG2 3.76Å; F356-V360 HydrophobicContact CE1-CG2 4.29Å; F356-V360 HydrophobicContact CZ-CG2 4.46Å; F356-V360 WeakPolarHBondContact O-CG2 3.48Å; F356-V360 PolarHBondContact O-N 3.1Å; F356-V360 VanDerWaalsContact O-N 3.13Å; I357-V360 PolarHBondContact O-N 2.88Å; R358-V360 PolarHBondContact O-N 3.1Å; R358-V360 VanDerWaalsContact O-N 3.16Å
361M75.7Confident69.8Low1 Ų156.1 Ų56.11%0.00530%0.295CS..Hα-helixtrans-85.8-27.7-172.1-64-58.3-65.600114.4I357 R358 D363 L370 L377 K380 F384I357-M361 HydrophobicContact CG2-CG 4.25Å; I357-M361 WeakPolarHBondContact O-CB 3.39Å; I357-M361 WeakPolarHBondContact O-CG 3.32Å; I357-M361 PolarHBondContact O-N 3.49Å; R358-M361 PolarHBondContact O-N 3.24Å; R358-M361 VanDerWaalsContact O-N 3.07Å; M361-D363 PolarHBondContact O-N 3.46Å; M361-L370 HydrophobicContact CE-CD1 3.97Å; M361-L377 HydrophobicContact CB-CD1 4.15Å; M361-L377 WeakPolarHBondContact O-CD1 3.3Å; M361-K380 HydrophobicContact CE-CB 3.71Å; M361-K380 HydrophobicContact CE-CD 3.95Å; M361-K380 HydrophobicContact CE-CG 4.44Å; M361-F384 HydrophobicContact CE-CD2 3.78Å; M361-F384 HydrophobicContact CE-CE2 3.32Å; M361-F384 HydrophobicContact CE-CZ 4.06Å; M361-F384 HydrophobicContact SD-CD2 4.12Å; M361-F384 HydrophobicContact SD-CE1 4.48Å; M361-F384 HydrophobicContact SD-CE2 3.67Å; M361-F384 HydrophobicContact SD-CZ 3.85Å
362S67.5Low68.1Low59 Ų5952 Ų5241%0.41328%0.279SS..SBendtrans-68.9-15.1-173.8-69.50000114.7R358R358-S362 VanDerWaalsContact O-CB 3.24Å; R358-S362 WeakPolarHBondContact O-CB 3.22Å; R358-S362 PolarHBondContact O-N 3.09Å; R358-S362 PolarHBondContact O-OG 3.22Å
363D61Low66.4Low68 Ų6847.8 Ų47.836%0.36426%0.26SS..SBendtrans-82.6126.8-178.1-80.128.2000110.8R340 M361 Q365 C366 G367R340-D363 IonicContact CZ-OD2 3.56Å; R340-D363 IonicContact NH1-OD1 3.69Å; R340-D363 IonicContact NH1-OD2 2.71Å; R340-D363 PolarHBondContact NH1-OD2 3.39Å; R340-D363 IonicContact NH2-OD2 3.73Å; R340-D363 PolarHBondContact NH2-OD2 3.4Å; M361-D363 PolarHBondContact O-N 3.46Å; D363-Q365 PolarHBondContact O-N 3.4Å; D363-C366 PolarHBondContact O-N 2.78Å; D363-G367 PolarHBondContact O-N 3.1Å
364D57Low64.7Low137 Ų13749.5 Ų49.573%0.73327%0.272SS*.Hα-helixtrans-51.7-26-171.2-74.5-32.4000113.8G367 V368D364-G367 CarbonylContact O-C 3.59Å; D364-G367 WeakPolarHBondContact O-CA 3.34Å; D364-G367 PolarHBondContact O-N 3.19Å; D364-V368 WeakPolarHBondContact O-CG2 3.5Å; D364-V368 PolarHBondContact O-N 2.92Å
365Q54.5Low63.4Low147 Ų14751 Ų5169%0.68728%0.28SS*.Hα-helixtrans-71.7-40177.6-58.1-170.27.800112.2V339 D363 G367 V368V339-Q365 VanDerWaalsContact CG1-C 3.42Å; V339-Q365 HydrophobicContact CG1-CB 3.52Å; D363-Q365 PolarHBondContact O-N 3.4Å; Q365-G367 VanDerWaalsContact C-N 3.25Å; Q365-V368 PolarHBondContact O-N 3.11Å
366C51.5Low62.3Low2 Ų248.8 Ų48.81%0.01426%0.262CS..Hα-helixtrans-73.3-31.3174.4-89.10000109.6V339 D363V339-C366 VanDerWaalsContact CB-SG 3.55Å; V339-C366 HydrophobicContact CG1-CB 4.1Å; V339-C366 VanDerWaalsContact CG1-N 3.34Å; V339-C366 WeakPolarHBondContact CG1-SG 3.49Å; D363-C366 PolarHBondContact O-N 2.78Å
367G51.5Low61Low8 Ų849.7 Ų49.78%0.08227%0.269CS..Hα-helixtrans-43.8-76.316000000110.5D363 D364 Q365 M369 L370 T371 K380D363-G367 PolarHBondContact O-N 3.1Å; D364-G367 CarbonylContact O-C 3.59Å; D364-G367 WeakPolarHBondContact O-CA 3.34Å; D364-G367 PolarHBondContact O-N 3.19Å; Q365-G367 VanDerWaalsContact C-N 3.25Å; G367-M369 PolarHBondContact O-N 3.02Å; G367-L370 CarbonylContact O-C 3.57Å; G367-L370 PolarHBondContact O-N 3.02Å; G367-T371 VanDerWaalsContact O-CB 3.27Å; G367-T371 WeakPolarHBondContact O-CB 3.21Å; G367-T371 PolarHBondContact O-N 3.36Å; G367-T371 PolarHBondContact O-OG1 2.88Å; G367-K380 PolarHBondContact O-NZ 3.45Å
368V49.8Very low60.1Low93 Ų9351.3 Ų51.356%0.56428%0.277SS*.Hα-helixtrans-51-47.6-166.1171.60000113.3D364 Q365 L370 T371 Q372D364-V368 WeakPolarHBondContact O-CG2 3.5Å; D364-V368 PolarHBondContact O-N 2.92Å; Q365-V368 PolarHBondContact O-N 3.11Å; V368-L370 VanDerWaalsContact C-N 3.34Å; V368-L370 PolarHBondContact O-N 3.17Å; V368-T371 CarbonylContact O-C 3.43Å; V368-T371 PolarHBondContact O-N 3.22Å; V368-T371 VanDerWaalsContact O-N 3.08Å; V368-Q372 PolarHBondContact O-N 3.41Å
369M49.6Very low59.7Low52 Ų5249.2 Ų49.226%0.25627%0.271SS..Hα-helixtrans-68.2-31.4-177.4-160.6162.675.800113.2L336 N338 V339 G367L336-M369 HydrophobicContact CB-CE 3.84Å; L336-M369 HydrophobicContact CD1-CE 3.61Å; L336-M369 HydrophobicContact CD2-CE 4.08Å; L336-M369 HydrophobicContact CG-CE 4.05Å; N338-M369 HydrophobicContact CB-CE 4.04Å; V339-M369 HydrophobicContact CG2-CB 4.47Å; V339-M369 HydrophobicContact CG2-CE 3.87Å; V339-M369 HydrophobicContact CG2-SD 4.36Å; G367-M369 PolarHBondContact O-N 3.02Å
370L52.3Low59.2Low8 Ų847.4 Ų47.44%0.04226%0.258CS..Hα-helixtrans-90.5-11.8171-69175000113.5L336 M361 G367 V368 K380 F384 I418L336-L370 HydrophobicContact CD1-CD1 3.77Å; L336-L370 HydrophobicContact CD1-CD2 3.77Å; L336-L370 HydrophobicContact CD1-CG 3.45Å; L336-L370 VanDerWaalsContact CD1-CG 3.45Å; M361-L370 HydrophobicContact CE-CD1 3.97Å; G367-L370 CarbonylContact O-C 3.57Å; G367-L370 PolarHBondContact O-N 3.02Å; V368-L370 VanDerWaalsContact C-N 3.34Å; V368-L370 PolarHBondContact O-N 3.17Å; L370-K380 HydrophobicContact CB-CD 4.18Å; L370-F384 HydrophobicContact CD1-CE2 4.16Å; L370-F384 HydrophobicContact CD1-CZ 4.48Å; L370-I418 HydrophobicContact CD2-CD1 4.48Å
371T49.8Very low58.9Low65 Ų6547.8 Ų47.840%0.39926%0.26SS..Hα-helixtrans-92.2-19.2178.6-50.40000111.4G367 V368 V373 K380G367-T371 VanDerWaalsContact O-CB 3.27Å; G367-T371 WeakPolarHBondContact O-CB 3.21Å; G367-T371 PolarHBondContact O-N 3.36Å; G367-T371 PolarHBondContact O-OG1 2.88Å; V368-T371 CarbonylContact O-C 3.43Å; V368-T371 PolarHBondContact O-N 3.22Å; V368-T371 VanDerWaalsContact O-N 3.08Å; T371-V373 CarbonylContact C-O 3.54Å; T371-V373 VanDerWaalsContact CA-O 3.25Å; T371-V373 WeakPolarHBondContact CA-O 3.45Å; T371-V373 CarbonylContact O-C 3.46Å; T371-V373 PolarHBondContact O-N 2.87Å; T371-K380 PolarHBondContact OG1-NZ 3Å
372Q49.6Very low59.2Low91 Ų9148.4 Ų48.443%0.42527%0.265SS..THydrogen-bonded Turntrans-51.9-35.2166.9-82-177.5-53.800110.2E165 V368E165-Q372 PolarHBondContact OE1-NE2 3.01Å; V368-Q372 PolarHBondContact O-N 3.41Å
373V51.1Low59.9Low18 Ų1847.4 Ų47.411%0.10926%0.255CS..THydrogen-bonded Turntrans-87120.9157.8-165.70000107.6M159 L161 T371 L375 I418M159-V373 HydrophobicContact CB-CG1 4Å; M159-V373 HydrophobicContact CG-CG1 3.61Å; M159-V373 HydrophobicContact SD-CG1 3.69Å; L161-V373 HydrophobicContact CD2-CG2 3.57Å; T371-V373 CarbonylContact C-O 3.54Å; T371-V373 VanDerWaalsContact CA-O 3.25Å; T371-V373 WeakPolarHBondContact CA-O 3.45Å; T371-V373 CarbonylContact O-C 3.46Å; T371-V373 PolarHBondContact O-N 2.87Å; V373-L375 PolarHBondContact O-N 3.47Å; V373-I418 HydrophobicContact CB-CG2 3.91Å; V373-I418 HydrophobicContact CG1-CG2 3.6Å; V373-I418 HydrophobicContact CG2-CG2 3.57Å
374S51.6Low61.2Low37 Ų3744.3 Ų44.326%0.25924%0.238SC..THydrogen-bonded Turntrans-67.655-162.7-44.40000117.1R155 S158R155-S374 VanDerWaalsContact O-CB 3.26Å; R155-S374 WeakPolarHBondContact O-CB 3.24Å; S158-S374 WeakPolarHBondContact O-CB 3.46Å; S158-S374 PolarHBondContact O-OG 3.3Å
375L55.6Low62.6Low42 Ų4238.9 Ų38.922%0.2221%0.209CC..  trans-98.6110.7-178.8-157.169000108.6V373 C379 K380 I383 I418V373-L375 PolarHBondContact O-N 3.47Å; L375-C379 HydrophobicContact CD1-CB 4.05Å; L375-C379 HydrophobicContact CG-CB 4.12Å; L375-K380 HydrophobicContact CB-CG 4.43Å; L375-K380 HydrophobicContact CD2-CG 3.91Å; L375-K380 HydrophobicContact CG-CG 4.13Å; L375-K380 WeakPolarHBondContact O-CE 3.12Å; L375-I383 HydrophobicContact CD1-CD1 3.79Å; L375-I383 HydrophobicContact CD2-CD1 3.51Å; L375-I383 HydrophobicContact CG-CD1 4.1Å; L375-I418 HydrophobicContact CD2-CD1 4.49Å
376K62.2Low64.1Low48 Ų4834.6 Ų34.621%0.20919%0.189CC..  trans-61.3144.3175.2-75.9-171.2175.7-170.90110.7R156 E262 Y306 L378 C379 K380R156-K376 HydrophobicContact CG-CD 4.22Å; E262-K376 IonicContact OE1-NZ 3.84Å; E262-K376 IonicContact OE2-NZ 3.25Å; E262-K376 PolarHBondContact OE2-NZ 2.92Å; Y306-K376 HydrophobicContact CE2-CB 4.49Å; Y306-K376 HydrophobicContact CE2-CD 4.08Å; K376-L378 PolarHBondContact O-N 3.39Å; K376-C379 WeakPolarHBondContact O-CB 3.4Å; K376-C379 PolarHBondContact O-N 3.37Å; K376-K380 PolarHBondContact O-N 3.11Å
377L59.7Low65.9Low68 Ų6835.2 Ų35.236%0.35619%0.192SC..Hα-helixtrans-46.2-37.7-177.4-179.364.2000113.8M361 K380 N381M361-L377 HydrophobicContact CB-CD1 4.15Å; M361-L377 WeakPolarHBondContact O-CD1 3.3Å; L377-K380 WeakPolarHBondContact O-CB 3.29Å; L377-K380 PolarHBondContact O-N 3.4Å; L377-N381 PolarHBondContact O-N 2.92Å; L377-N381 PolarHBondContact O-ND2 3.05Å; L377-N381 VanDerWaalsContact O-ND2 3.14Å
378L66.4Low67.8Low35 Ų3534.8 Ų34.818%0.18319%0.188CC..Hα-helixtrans-65-40.8179.3-62.1175.8000112.8Y306 L310 K376 K380Y306-L378 HydrophobicContact CD2-CB 4.03Å; Y306-L378 HydrophobicContact CD2-CD1 4.34Å; Y306-L378 HydrophobicContact CE2-CB 4.01Å; Y306-L378 HydrophobicContact CE2-CD1 3.6Å; Y306-L378 HydrophobicContact CE2-CG 4.33Å; L310-L378 HydrophobicContact CB-CD1 4.15Å; L310-L378 HydrophobicContact CD1-CD1 3.88Å; K376-L378 PolarHBondContact O-N 3.39Å; L378-K380 VanDerWaalsContact C-N 3.31Å
379C73.1Confident69.7Low13 Ų1332.2 Ų32.29%0.08817%0.17CC..Hα-helixtrans-67.5-34174.6-63.60000111.6L375 K376 N381 A382 I383L375-C379 HydrophobicContact CD1-CB 4.05Å; L375-C379 HydrophobicContact CG-CB 4.12Å; K376-C379 WeakPolarHBondContact O-CB 3.4Å; K376-C379 PolarHBondContact O-N 3.37Å; C379-N381 PolarHBondContact O-N 2.78Å; C379-A382 PolarHBondContact O-N 2.95Å; C379-I383 WeakPolarHBondContact O-CG1 3.3Å; C379-I383 PolarHBondContact O-N 3.2Å
380K71.5Confident71.7Confident3 Ų335.7 Ų35.71%0.01318%0.182CC..Hα-helixtrans-58.2-48.3179.4-56.9-173.5-177178.50111M361 G367 L370 T371 L375 K376 L377 L378 A382 I383 F384M361-K380 HydrophobicContact CE-CB 3.71Å; M361-K380 HydrophobicContact CE-CD 3.95Å; M361-K380 HydrophobicContact CE-CG 4.44Å; G367-K380 PolarHBondContact O-NZ 3.45Å; L370-K380 HydrophobicContact CB-CD 4.18Å; T371-K380 PolarHBondContact OG1-NZ 3Å; L375-K380 HydrophobicContact CB-CG 4.43Å; L375-K380 HydrophobicContact CD2-CG 3.91Å; L375-K380 HydrophobicContact CG-CG 4.13Å; L375-K380 WeakPolarHBondContact O-CE 3.12Å; K376-K380 PolarHBondContact O-N 3.11Å; L377-K380 WeakPolarHBondContact O-CB 3.29Å; L377-K380 PolarHBondContact O-N 3.4Å; L378-K380 VanDerWaalsContact C-N 3.31Å; K380-A382 VanDerWaalsContact C-N 3.33Å; K380-A382 PolarHBondContact O-N 3.33Å; K380-I383 PolarHBondContact O-N 3.36Å; K380-F384 WeakPolarHBondContact O-CD2 3.4Å; K380-F384 PolarHBondContact O-N 3.38Å
381N76.9Confident73.6Confident9 Ų936.1 Ų36.15%0.04818%0.184CC..Hα-helixtrans-57.4-45.6178.7-68.3-62.2000112.1L377 C379 I383 F384 H385L377-N381 PolarHBondContact O-N 2.92Å; L377-N381 PolarHBondContact O-ND2 3.05Å; L377-N381 VanDerWaalsContact O-ND2 3.14Å; C379-N381 PolarHBondContact O-N 2.78Å; N381-I383 PolarHBondContact O-N 3.16Å; N381-F384 PolarHBondContact O-N 3.07Å; N381-H385 PolarHBondContact O-CD2 3.42Å; N381-H385 VanDerWaalsContact O-CG 3.26Å; N381-H385 PolarHBondContact O-N 3.25Å
382A80.5Confident75.5Confident13 Ų1333 Ų3311%0.10717%0.165CC..Hα-helixtrans-62.7-42.4178.400000112.3R305 C379 K380 H385 E386R305-A382 HydrophobicContact CB-CB 3.86Å; R305-A382 HydrophobicContact CG-CB 4.11Å; C379-A382 PolarHBondContact O-N 2.95Å; K380-A382 VanDerWaalsContact C-N 3.33Å; K380-A382 PolarHBondContact O-N 3.33Å; A382-H385 WeakPolarHBondContact O-CB 3.31Å; A382-H385 PolarHBondContact O-N 2.84Å; A382-E386 WeakPolarHBondContact O-CG 3.38Å; A382-E386 PolarHBondContact O-N 2.86Å
383I83.2Confident77.4Confident39 Ų3931.4 Ų31.420%0.216%0.158CC..Hα-helixtrans-64.6-43.3178-70.9160.3000111.1L375 C379 K380 N381 H385 E386 V387 I414L375-I383 HydrophobicContact CD1-CD1 3.79Å; L375-I383 HydrophobicContact CD2-CD1 3.51Å; L375-I383 HydrophobicContact CG-CD1 4.1Å; C379-I383 WeakPolarHBondContact O-CG1 3.3Å; C379-I383 PolarHBondContact O-N 3.2Å; K380-I383 PolarHBondContact O-N 3.36Å; N381-I383 PolarHBondContact O-N 3.16Å; I383-H385 VanDerWaalsContact C-N 3.3Å; I383-H385 PolarHBondContact O-N 2.89Å; I383-E386 PolarHBondContact O-N 3.28Å; I383-V387 HydrophobicContact CG2-CG2 4.35Å; I383-V387 WeakPolarHBondContact O-CG2 3.32Å; I383-V387 PolarHBondContact O-N 2.99Å; I383-I414 HydrophobicContact CG2-CD1 4.23Å; I383-I414 HydrophobicContact CG2-CG1 4.37Å; I383-I414 HydrophobicContact CG2-CG2 4.32Å
384F87Confident79.3Confident2 Ų234.8 Ų34.81%0.00917%0.172CC..Hα-helixtrans-58.5-42.4173.8-91.9-92.9000111.8I334 M361 L370 K380 N381 L388 V410 I414I334-F384 HydrophobicContact CG2-CD1 4.12Å; I334-F384 HydrophobicContact CG2-CE1 4.1Å; M361-F384 HydrophobicContact CE-CD2 3.78Å; M361-F384 HydrophobicContact CE-CE2 3.32Å; M361-F384 HydrophobicContact CE-CZ 4.06Å; M361-F384 HydrophobicContact SD-CD2 4.12Å; M361-F384 HydrophobicContact SD-CE1 4.48Å; M361-F384 HydrophobicContact SD-CE2 3.67Å; M361-F384 HydrophobicContact SD-CZ 3.85Å; L370-F384 HydrophobicContact CD1-CE2 4.16Å; L370-F384 HydrophobicContact CD1-CZ 4.48Å; K380-F384 WeakPolarHBondContact O-CD2 3.4Å; K380-F384 PolarHBondContact O-N 3.38Å; N381-F384 PolarHBondContact O-N 3.07Å; F384-L388 WeakPolarHBondContact O-CB 3.42Å; F384-L388 VanDerWaalsContact O-CG 3.3Å; F384-L388 WeakPolarHBondContact O-CG 3.26Å; F384-L388 PolarHBondContact O-N 3.44Å; F384-V410 HydrophobicContact CD1-CB 4.4Å; F384-V410 HydrophobicContact CD1-CG1 3.75Å; F384-V410 HydrophobicContact CE1-CB 4.28Å; F384-V410 HydrophobicContact CE1-CG1 3.97Å; F384-I414 HydrophobicContact CB-CD1 4.34Å; F384-I414 HydrophobicContact CD1-CD1 3.62Å; F384-I414 HydrophobicContact CD2-CD1 3.52Å; F384-I414 HydrophobicContact CE1-CD1 3.69Å; F384-I414 HydrophobicContact CE2-CD1 3.58Å; F384-I414 HydrophobicContact CG-CD1 3.56Å; F384-I414 HydrophobicContact CZ-CD1 3.67Å
385H86.8Confident81.1Confident24 Ų2433.1 Ų33.111%0.11116%0.16CC..Hα-helixtrans-63.1-45.9176.5-64.1175.8000112.1L318 L354 I357 N381 A382 I383 L388 I389L318-H385 HydrophobicContact CD1-CB 4.2Å; L318-H385 HydrophobicContact CD2-CB 4.23Å; L354-H385 WeakPolarHBondContact CD2-CE1 3.11Å; I357-H385 WeakPolarHBondContact CD1-NE2 3.36Å; N381-H385 PolarHBondContact O-CD2 3.42Å; N381-H385 VanDerWaalsContact O-CG 3.26Å; N381-H385 PolarHBondContact O-N 3.25Å; A382-H385 WeakPolarHBondContact O-CB 3.31Å; A382-H385 PolarHBondContact O-N 2.84Å; I383-H385 VanDerWaalsContact C-N 3.3Å; I383-H385 PolarHBondContact O-N 2.89Å; H385-L388 PolarHBondContact O-N 3.39Å; H385-I389 WeakPolarHBondContact O-CD1 3.28Å; H385-I389 VanDerWaalsContact O-CG1 3.22Å; H385-I389 WeakPolarHBondContact O-CG1 3.47Å; H385-I389 PolarHBondContact O-N 3.49Å
386E86.5Confident82.6Confident57 Ų5737.9 Ų37.927%0.26618%0.175SC..Hα-helixtrans-61.2-49.8179.4-74.3172.8-152.500111.1R305 A382 I383 L388 I389 Y390R305-E386 WeakPolarHBondContact CD-OE1 3.5Å; R305-E386 WeakPolarHBondContact CG-OE1 3.48Å; R305-E386 IonicContact CZ-OE1 2.79Å; R305-E386 IonicContact CZ-OE2 2.71Å; R305-E386 VanDerWaalsContact CZ-OE2 3.29Å; R305-E386 VanDerWaalsContact NE-CD 3.26Å; R305-E386 IonicContact NE-OE1 3.81Å; R305-E386 PolarHBondContact NE-OE1 2.88Å; R305-E386 IonicContact NE-OE2 2.85Å; R305-E386 PolarHBondContact NE-OE2 2.91Å; R305-E386 IonicContact NH2-OE1 2.93Å; R305-E386 IonicContact NH2-OE2 3.44Å; R305-E386 PolarHBondContact NH2-OE2 3.27Å; A382-E386 WeakPolarHBondContact O-CG 3.38Å; A382-E386 PolarHBondContact O-N 2.86Å; I383-E386 PolarHBondContact O-N 3.28Å; E386-L388 VanDerWaalsContact C-N 3.33Å; E386-L388 PolarHBondContact O-N 3Å; E386-I389 WeakPolarHBondContact O-CB 3.48Å; E386-I389 PolarHBondContact O-N 3.33Å; E386-I389 VanDerWaalsContact O-N 3.11Å; E386-Y390 HydrophobicContact CB-CD2 4.5Å; E386-Y390 HydrophobicContact CB-CE2 4.31Å; E386-Y390 WeakPolarHBondContact O-CD2 3.37Å; E386-Y390 PolarHBondContact O-N 3.06Å
387V90.3Very high83.7Confident14 Ų1438.1 Ų38.19%0.08518%0.18CC..Hα-helixtrans-60.5-42.4178.5174.10000111.1I383 I389 Y390 L391 V410 I413 I414 M417I383-V387 HydrophobicContact CG2-CG2 4.35Å; I383-V387 WeakPolarHBondContact O-CG2 3.32Å; I383-V387 PolarHBondContact O-N 2.99Å; V387-I389 PolarHBondContact O-N 3.47Å; V387-Y390 PolarHBondContact O-N 3.27Å; V387-L391 HydrophobicContact CG1-CD1 4.06Å; V387-L391 HydrophobicContact CG1-CG 4.37Å; V387-L391 VanDerWaalsContact O-CG 3.29Å; V387-L391 WeakPolarHBondContact O-CG 3.27Å; V387-L391 PolarHBondContact O-N 3.1Å; V387-V410 HydrophobicContact CB-CG1 4.46Å; V387-V410 HydrophobicContact CG1-CG1 3.97Å; V387-I413 HydrophobicContact CG1-CG2 4.36Å; V387-I414 HydrophobicContact CB-CD1 4.39Å; V387-I414 HydrophobicContact CB-CG1 4.34Å; V387-I414 HydrophobicContact CG1-CG1 4.33Å; V387-I414 HydrophobicContact CG2-CD1 4.3Å; V387-I414 HydrophobicContact CG2-CG1 3.93Å; V387-M417 HydrophobicContact CG2-SD 4.3Å
388L90.7Very high85Confident0 Ų038.6 Ų38.60%018%0.181CC..Hα-helixtrans-60.9-42.4174.1-80.5169.8000112.6L318 V322 L325 V332 I357 F384 H385 E386 Y390 L391 G392 V410L318-L388 HydrophobicContact CD1-CB 3.65Å; L318-L388 HydrophobicContact CD1-CD1 3.92Å; L318-L388 HydrophobicContact CD1-CG 4.45Å; V322-L388 HydrophobicContact CG2-CD1 4.43Å; V322-L388 HydrophobicContact CG2-CD2 4.38Å; L325-L388 HydrophobicContact CD1-CD2 4.45Å; V332-L388 HydrophobicContact CG1-CD2 3.59Å; I357-L388 HydrophobicContact CD1-CD1 4.38Å; F384-L388 WeakPolarHBondContact O-CB 3.42Å; F384-L388 VanDerWaalsContact O-CG 3.3Å; F384-L388 WeakPolarHBondContact O-CG 3.26Å; F384-L388 PolarHBondContact O-N 3.44Å; H385-L388 PolarHBondContact O-N 3.39Å; E386-L388 VanDerWaalsContact C-N 3.33Å; E386-L388 PolarHBondContact O-N 3Å; L388-Y390 VanDerWaalsContact C-N 3.35Å; L388-L391 PolarHBondContact O-N 3.17Å; L388-G392 PolarHBondContact O-N 2.98Å; L388-V410 HydrophobicContact CD2-CG2 3.7Å; L388-V410 HydrophobicContact CG-CG1 4.35Å; L388-V410 HydrophobicContact CG-CG2 4.38Å
389I89.5Confident85.9Confident38 Ų3840.2 Ų40.220%0.19519%0.193CC..Hα-helixtrans-62.4-43.8176.5-70.4164.2000110.4A317 L318 A321 H385 E386 V387 G392 M393A317-I389 HydrophobicContact CB-CD1 4.28Å; A317-I389 HydrophobicContact CB-CG1 4.47Å; L318-I389 HydrophobicContact CB-CD1 4.36Å; L318-I389 HydrophobicContact CB-CG1 4.31Å; L318-I389 HydrophobicContact CD1-CG1 4.24Å; A321-I389 HydrophobicContact CB-CG1 4.43Å; H385-I389 WeakPolarHBondContact O-CD1 3.28Å; H385-I389 VanDerWaalsContact O-CG1 3.22Å; H385-I389 WeakPolarHBondContact O-CG1 3.47Å; H385-I389 PolarHBondContact O-N 3.49Å; E386-I389 WeakPolarHBondContact O-CB 3.48Å; E386-I389 PolarHBondContact O-N 3.33Å; E386-I389 VanDerWaalsContact O-N 3.11Å; V387-I389 PolarHBondContact O-N 3.47Å; I389-G392 CarbonylContact O-C 3.32Å; I389-G392 PolarHBondContact O-N 2.93Å; I389-M393 HydrophobicContact CG2-SD 4.29Å; I389-M393 WeakPolarHBondContact O-CG 3.45Å; I389-M393 PolarHBondContact O-N 3.11Å
390Y91.2Very high86.7Confident125 Ų12545.5 Ų45.549%0.4922%0.216SC..Hα-helixtrans-63.4-45176-74-63.1000112E386 V387 L388 G392 M393 F394E386-Y390 HydrophobicContact CB-CD2 4.5Å; E386-Y390 HydrophobicContact CB-CE2 4.31Å; E386-Y390 WeakPolarHBondContact O-CD2 3.37Å; E386-Y390 PolarHBondContact O-N 3.06Å; V387-Y390 PolarHBondContact O-N 3.27Å; L388-Y390 VanDerWaalsContact C-N 3.35Å; Y390-G392 VanDerWaalsContact C-N 3.3Å; Y390-G392 PolarHBondContact O-N 3.38Å; Y390-M393 HydrophobicContact CD1-CE 4.1Å; Y390-M393 HydrophobicContact CD1-SD 4.21Å; Y390-M393 HydrophobicContact CE1-CE 4.38Å; Y390-M393 CarbonylContact O-C 3.49Å; Y390-M393 WeakPolarHBondContact O-CA 3.35Å; Y390-M393 WeakPolarHBondContact O-CB 3.41Å; Y390-M393 PolarHBondContact O-N 3.14Å; Y390-F394 WeakPolarHBondContact O-CD2 3.45Å; Y390-F394 PolarHBondContact O-N 3.44Å
391L92.7Very high87.6Confident18 Ų1849.9 Ų49.99%0.09424%0.24CC..Hα-helixtrans-59.3-42174.3-69.9170.9000111.5L325 V387 L388 M393 F394 I395 F402 L408 V410 I413L325-L391 HydrophobicContact CD1-CB 4.23Å; V387-L391 HydrophobicContact CG1-CD1 4.06Å; V387-L391 HydrophobicContact CG1-CG 4.37Å; V387-L391 VanDerWaalsContact O-CG 3.29Å; V387-L391 WeakPolarHBondContact O-CG 3.27Å; V387-L391 PolarHBondContact O-N 3.1Å; L388-L391 PolarHBondContact O-N 3.17Å; L391-M393 VanDerWaalsContact C-N 3.28Å; L391-M393 PolarHBondContact O-N 2.96Å; L391-F394 PolarHBondContact O-N 2.71Å; L391-I395 WeakPolarHBondContact O-CG2 3.49Å; L391-I395 PolarHBondContact O-N 2.9Å; L391-F402 HydrophobicContact CD2-CE1 4.2Å; L391-F402 HydrophobicContact CD2-CZ 4.28Å; L391-L408 HydrophobicContact CD1-CD1 4.42Å; L391-V410 HydrophobicContact CD1-CG2 4.01Å; L391-I413 HydrophobicContact CD1-CD1 4.2Å; L391-I413 HydrophobicContact CD2-CD1 4.36Å
392G90.3Very high88.2Confident0 Ų050.1 Ų50.10%024%0.24CC..Hα-helixtrans-65.7-27.2173.600000114L388 I389 Y390 R396L388-G392 PolarHBondContact O-N 2.98Å; I389-G392 CarbonylContact O-C 3.32Å; I389-G392 PolarHBondContact O-N 2.93Å; Y390-G392 VanDerWaalsContact C-N 3.3Å; Y390-G392 PolarHBondContact O-N 3.38Å; G392-R396 WeakPolarHBondContact O-CG 3.46Å; G392-R396 PolarHBondContact O-NE 3.4Å
393M88.5Confident88.4Confident57 Ų5753 Ų5328%0.28126%0.26SS..Hα-helixtrans-72.4-52.7169.8-74.8170.738.700111.1P22 I389 Y390 L391 I395 R396 T397P22-M393 HydrophobicContact CB-CE 4.16Å; I389-M393 HydrophobicContact CG2-SD 4.29Å; I389-M393 WeakPolarHBondContact O-CG 3.45Å; I389-M393 PolarHBondContact O-N 3.11Å; Y390-M393 HydrophobicContact CD1-CE 4.1Å; Y390-M393 HydrophobicContact CD1-SD 4.21Å; Y390-M393 HydrophobicContact CE1-CE 4.38Å; Y390-M393 CarbonylContact O-C 3.49Å; Y390-M393 WeakPolarHBondContact O-CA 3.35Å; Y390-M393 WeakPolarHBondContact O-CB 3.41Å; Y390-M393 PolarHBondContact O-N 3.14Å; L391-M393 VanDerWaalsContact C-N 3.28Å; L391-M393 PolarHBondContact O-N 2.96Å; M393-I395 VanDerWaalsContact C-N 3.31Å; M393-I395 PolarHBondContact O-N 2.93Å; M393-R396 VanDerWaalsContact CG-NH2 3.33Å; M393-R396 WeakPolarHBondContact O-CA 3.39Å; M393-R396 WeakPolarHBondContact O-CB 3.48Å; M393-R396 PolarHBondContact O-N 3.48Å; M393-T397 PolarHBondContact O-N 3.21Å; M393-T397 PolarHBondContact O-OG1 3.44Å
394F90.5Very high88.6Confident89 Ų8959.4 Ų59.439%0.3929%0.289SS..Hα-helixtrans-57.3-43.3-178.9-76.2-63.2000112.1Y390 L391 R396 T397 E398 L401 F402Y390-F394 WeakPolarHBondContact O-CD2 3.45Å; Y390-F394 PolarHBondContact O-N 3.44Å; L391-F394 PolarHBondContact O-N 2.71Å; F394-R396 PolarHBondContact O-N 2.95Å; F394-R396 VanDerWaalsContact O-N 3.14Å; F394-T397 PolarHBondContact O-N 2.94Å; F394-T397 PolarHBondContact O-OG1 2.83Å; F394-E398 CarbonylContact O-C 3.57Å; F394-E398 VanDerWaalsContact O-C 3.32Å; F394-E398 WeakPolarHBondContact O-CA 3.43Å; F394-E398 PolarHBondContact O-N 3.17Å; F394-L401 HydrophobicContact CD1-CD1 4.37Å; F394-F402 HydrophobicContact CB-CE2 3.71Å; F394-F402 HydrophobicContact CB-CZ 3.81Å
395I90.1Very high88.7Confident2 Ų262.6 Ų62.61%0.0131%0.305CS..Hα-helixtrans-66.1-21.8179.6-155.7176000112.7A324 L325 R328 K330 L391 M393 F402A324-I395 HydrophobicContact CB-CG2 4.39Å; L325-I395 HydrophobicContact CD2-CB 3.97Å; L325-I395 HydrophobicContact CD2-CD1 3.67Å; L325-I395 HydrophobicContact CD2-CG1 4.39Å; L325-I395 HydrophobicContact CD2-CG2 3.68Å; L325-I395 HydrophobicContact CG-CG2 4.3Å; R328-I395 HydrophobicContact CB-CD1 3.77Å; R328-I395 VanDerWaalsContact CD-CG1 3.48Å; R328-I395 HydrophobicContact CG-CD1 4.28Å; R328-I395 PolarHBondContact NE-O 3.48Å; R328-I395 VanDerWaalsContact NH1-CG2 3.31Å; R328-I395 PolarHBondContact NH1-O 2.94Å; R328-I395 VanDerWaalsContact NH1-O 3.07Å; R328-I395 PolarHBondContact NH2-O 3.26Å; K330-I395 HydrophobicContact CB-CD1 4.44Å; K330-I395 HydrophobicContact CG-CD1 3.53Å; L391-I395 WeakPolarHBondContact O-CG2 3.49Å; L391-I395 PolarHBondContact O-N 2.9Å; M393-I395 VanDerWaalsContact C-N 3.31Å; M393-I395 PolarHBondContact O-N 2.93Å; I395-F402 HydrophobicContact CB-CD2 4.02Å; I395-F402 HydrophobicContact CB-CE2 3.88Å; I395-F402 HydrophobicContact CB-CZ 4.41Å; I395-F402 HydrophobicContact CG1-CD2 3.84Å; I395-F402 HydrophobicContact CG1-CE2 4.23Å; I395-F402 HydrophobicContact CG1-CG 4.23Å
396R86.8Confident88.8Confident141 Ų14167.8 Ų67.853%0.53233%0.332SS..Hα-helixtrans-84-36.9176-72.9-179.2-67.31560.2113A324 G392 M393 F394A324-R396 HydrophobicContact CB-CG 4.22Å; G392-R396 WeakPolarHBondContact O-CG 3.46Å; G392-R396 PolarHBondContact O-NE 3.4Å; M393-R396 VanDerWaalsContact CG-NH2 3.33Å; M393-R396 WeakPolarHBondContact O-CA 3.39Å; M393-R396 WeakPolarHBondContact O-CB 3.48Å; M393-R396 PolarHBondContact O-N 3.48Å; F394-R396 PolarHBondContact O-N 2.95Å; F394-R396 VanDerWaalsContact O-N 3.14Å
397T85.1Confident89.1Confident53 Ų5370 Ų7033%0.32534%0.338SS..Hα-helixtrans-88.1-41-178.251.50000112.6P22 M393 F394P22-T397 HydrophobicContact CB-CG2 3.83Å; P22-T397 HydrophobicContact CG-CG2 4.26Å; M393-T397 PolarHBondContact O-N 3.21Å; M393-T397 PolarHBondContact O-OG1 3.44Å; F394-T397 PolarHBondContact O-N 2.94Å; F394-T397 PolarHBondContact O-OG1 2.83Å
398E88Confident89.2Confident79 Ų7969.4 Ų69.437%0.36933%0.334SS..  trans-135.468.9-171.4-65.6179.2126.400110F394 H400 L401F394-E398 CarbonylContact O-C 3.57Å; F394-E398 VanDerWaalsContact O-C 3.32Å; F394-E398 WeakPolarHBondContact O-CA 3.43Å; F394-E398 PolarHBondContact O-N 3.17Å; E398-H400 PolarHBondContact O-N 2.83Å; E398-H400 VanDerWaalsContact O-N 3.16Å; E398-L401 HydrophobicContact CB-CD1 3.67Å; E398-L401 HydrophobicContact CB-CG 3.93Å; E398-L401 PolarHBondContact O-N 3.09Å
399P86Confident89.2Confident69 Ų6974 Ų7445%0.44835%0.352SS..G310 helixtrans-63.2-22.7-177.625.7-34.7000113.2L401 F402P399-L401 PolarHBondContact O-N 3.44Å; P399-F402 PolarHBondContact O-N 3.21Å; P399-F402 VanDerWaalsContact O-N 3.1Å
400H89.5Confident89.3Confident123 Ų12372.1 Ų72.157%0.56934%0.342SS*.G310 helixtrans-64-27.1178.865.9-89.6000112.8E398 F402 S403E398-H400 PolarHBondContact O-N 2.83Å; E398-H400 VanDerWaalsContact O-N 3.16Å; H400-F402 PolarHBondContact O-N 3.13Å; H400-S403 PolarHBondContact O-N 2.86Å
401L88.8Confident89Confident96 Ų9666.2 Ų66.250%0.50332%0.319SS..G310 helixtrans-61.9-16.6174.5-63.5176.5000112.9F394 E398 P399F394-L401 HydrophobicContact CD1-CD1 4.37Å; E398-L401 HydrophobicContact CB-CD1 3.67Å; E398-L401 HydrophobicContact CB-CG 3.93Å; E398-L401 PolarHBondContact O-N 3.09Å; P399-L401 PolarHBondContact O-N 3.44Å
402F89.8Confident88.8Confident14 Ų1468 Ų686%0.06133%0.328CS..G310 helixtrans-113.98.4-176.6-58.5-87.4000113.3K330 L391 F394 I395 P399 H400 E404 M405 L408K330-F402 VanDerWaalsContact CE-O 3.27Å; K330-F402 WeakPolarHBondContact CE-O 3.41Å; K330-F402 PolarHBondContact NZ-O 2.7Å; L391-F402 HydrophobicContact CD2-CE1 4.2Å; L391-F402 HydrophobicContact CD2-CZ 4.28Å; F394-F402 HydrophobicContact CB-CE2 3.71Å; F394-F402 HydrophobicContact CB-CZ 3.81Å; I395-F402 HydrophobicContact CB-CD2 4.02Å; I395-F402 HydrophobicContact CB-CE2 3.88Å; I395-F402 HydrophobicContact CB-CZ 4.41Å; I395-F402 HydrophobicContact CG1-CD2 3.84Å; I395-F402 HydrophobicContact CG1-CE2 4.23Å; I395-F402 HydrophobicContact CG1-CG 4.23Å; P399-F402 PolarHBondContact O-N 3.21Å; P399-F402 VanDerWaalsContact O-N 3.1Å; H400-F402 PolarHBondContact O-N 3.13Å; F402-E404 VanDerWaalsContact C-N 3.34Å; F402-E404 PolarHBondContact O-N 3.13Å; F402-M405 HydrophobicContact CD1-SD 4.49Å; F402-M405 PolarHBondContact O-N 3.42Å; F402-M405 VanDerWaalsContact O-N 3.16Å; F402-L408 HydrophobicContact CD1-CD1 4.43Å; F402-L408 HydrophobicContact CD1-CD2 3.84Å; F402-L408 HydrophobicContact CE1-CD1 4.14Å; F402-L408 HydrophobicContact CE1-CD2 3.98Å
403S85Confident88.8Confident73 Ų7370.3 Ų70.351%0.5134%0.34SS..THydrogen-bonded Turntrans-54.1-49.8-172.665.50000112.2H400 M405H400-S403 PolarHBondContact O-N 2.86Å; S403-M405 VanDerWaalsContact C-N 3.35Å; S403-M405 PolarHBondContact O-N 2.77Å
404E88.1Confident88.7Confident173 Ų17367.8 Ų67.881%0.80833%0.328SS*.THydrogen-bonded Turntrans-87-1.5-176.6-54.6-45.2125.700114.2F402F402-E404 VanDerWaalsContact C-N 3.34Å; F402-E404 PolarHBondContact O-N 3.13Å
405M89.2Confident88.4Confident70 Ų7066.8 Ų66.835%0.34533%0.325SS..  trans-100.6109.2-174.3-162.6171-175.900110.1K330 F402 S403 R407 L408K330-M405 WeakPolarHBondContact CD-O 3Å; K330-M405 WeakPolarHBondContact CE-O 3.48Å; K330-M405 PolarHBondContact NZ-O 3.23Å; F402-M405 HydrophobicContact CD1-SD 4.49Å; F402-M405 PolarHBondContact O-N 3.42Å; F402-M405 VanDerWaalsContact O-N 3.16Å; S403-M405 VanDerWaalsContact C-N 3.35Å; S403-M405 PolarHBondContact O-N 2.77Å; M405-R407 WeakPolarHBondContact CE-O 3.34Å; M405-L408 HydrophobicContact CE-CD2 3.38Å; M405-L408 HydrophobicContact CG-CD2 3.72Å; M405-L408 HydrophobicContact SD-CD2 3.17Å; M405-L408 WeakPolarHBondContact SD-CD2 3.28Å
406L89.2Confident88.2Confident132 Ų13271.6 Ų71.669%0.69135%0.349SS*.SBendtrans-82.8-35176.8-66.4174.2000112.8E331E331-L406 PolarHBondContact N-O 3.36Å
407R91.2Very high88.2Confident104 Ų10469.4 Ų69.439%0.39235%0.346SS..EExtended strand (participates in β ladder)trans-129.6125.4-174.5-179.1-179.2-69.1167.56.4111.5E331 T333 M405 R409E331-R407 HydrophobicContact CB-CB 4.15Å; E331-R407 HydrophobicContact CB-CG 4.09Å; E331-R407 CarbonylContact O-C 3.48Å; E331-R407 VanDerWaalsContact O-CA 3.31Å; E331-R407 WeakPolarHBondContact O-CA 3.17Å; E331-R407 IonicContact OE2-CZ 3.23Å; E331-R407 VanDerWaalsContact OE2-CZ 3.23Å; E331-R407 IonicContact OE2-NE 3.2Å; E331-R407 PolarHBondContact OE2-NE 3.24Å; E331-R407 IonicContact OE2-NH2 2.75Å; E331-R407 PolarHBondContact OE2-NH2 3.27Å; T333-R407 HydrophobicContact CG2-CG 3.91Å; M405-R407 WeakPolarHBondContact CE-O 3.34Å; R407-R409 HydrophobicContact CG-CG 4.34Å
408L92.4Very high88Confident1 Ų167.8 Ų67.81%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-92.4106.4174.3-55-171.2000110.7L325 E331 T333 L391 F402 M405 V410L325-L408 HydrophobicContact CD1-CD1 4.13Å; L325-L408 HydrophobicContact CD2-CD1 3.45Å; L325-L408 VanDerWaalsContact CD2-CD1 3.45Å; L325-L408 HydrophobicContact CG-CD1 4.35Å; E331-L408 PolarHBondContact O-N 3.14Å; T333-L408 PolarHBondContact N-O 3.38Å; T333-L408 PolarHBondContact OG1-O 3.4Å; L391-L408 HydrophobicContact CD1-CD1 4.42Å; F402-L408 HydrophobicContact CD1-CD1 4.43Å; F402-L408 HydrophobicContact CD1-CD2 3.84Å; F402-L408 HydrophobicContact CE1-CD1 4.14Å; F402-L408 HydrophobicContact CE1-CD2 3.98Å; M405-L408 HydrophobicContact CE-CD2 3.38Å; M405-L408 HydrophobicContact CG-CD2 3.72Å; M405-L408 HydrophobicContact SD-CD2 3.17Å; M405-L408 WeakPolarHBondContact SD-CD2 3.28Å; L408-V410 PolarHBondContact O-N 3.21Å
409R91.5Very high87.6Confident96 Ų9666.7 Ų66.736%0.36234%0.336SS..EExtended strand (participates in β ladder)trans-88.585.3175-59.2-165.2-177.1-172.52111.3T333 E341 R407 G411 L412 I413T333-R409 WeakPolarHBondContact OG1-CA 3.34Å; E341-R409 WeakPolarHBondContact OE1-CD 3.33Å; E341-R409 WeakPolarHBondContact OE1-CG 3.37Å; E341-R409 IonicContact OE1-NE 2.83Å; R407-R409 HydrophobicContact CG-CG 4.34Å; R409-G411 VanDerWaalsContact C-N 3.29Å; R409-G411 PolarHBondContact O-N 2.63Å; R409-L412 HydrophobicContact CB-CB 4.25Å; R409-L412 HydrophobicContact CB-CD1 4.01Å; R409-L412 HydrophobicContact CB-CG 4.18Å; R409-L412 HydrophobicContact CG-CD1 4.48Å; R409-L412 PolarHBondContact O-N 2.97Å; R409-L412 VanDerWaalsContact O-N 3.15Å; R409-I413 PolarHBondContact O-N 2.92Å
410V90.7Very high87.5Confident0 Ų067.7 Ų67.70%034%0.335CS..Hα-helixtrans-61.2-36.6-171.4-176.70000112.3V332 T333 F384 V387 L388 L391 L408 L412 I413 I414V332-V410 HydrophobicContact CG1-CG2 3.95Å; T333-V410 WeakPolarHBondContact O-CB 3.41Å; T333-V410 WeakPolarHBondContact O-CG2 3.24Å; T333-V410 PolarHBondContact O-N 3.49Å; F384-V410 HydrophobicContact CD1-CB 4.4Å; F384-V410 HydrophobicContact CD1-CG1 3.75Å; F384-V410 HydrophobicContact CE1-CB 4.28Å; F384-V410 HydrophobicContact CE1-CG1 3.97Å; V387-V410 HydrophobicContact CB-CG1 4.46Å; V387-V410 HydrophobicContact CG1-CG1 3.97Å; L388-V410 HydrophobicContact CD2-CG2 3.7Å; L388-V410 HydrophobicContact CG-CG1 4.35Å; L388-V410 HydrophobicContact CG-CG2 4.38Å; L391-V410 HydrophobicContact CD1-CG2 4.01Å; L408-V410 PolarHBondContact O-N 3.21Å; V410-L412 PolarHBondContact O-N 2.93Å; V410-I413 PolarHBondContact O-N 2.67Å; V410-I414 HydrophobicContact CG1-CD1 3.91Å; V410-I414 WeakPolarHBondContact O-CG1 3.49Å; V410-I414 PolarHBondContact O-N 3.34Å
411G86.5Confident87.2Confident0 Ų066.4 Ų66.40%033%0.332CS..Hα-helixtrans-66.1-35.3178.400000113.8G335 R409 I414 Q415G335-G411 VanDerWaalsContact O-CA 3.3Å; G335-G411 WeakPolarHBondContact O-CA 3.35Å; R409-G411 VanDerWaalsContact C-N 3.29Å; R409-G411 PolarHBondContact O-N 2.63Å; G411-I414 PolarHBondContact O-N 3.16Å; G411-Q415 WeakPolarHBondContact O-CB 3.36Å; G411-Q415 PolarHBondContact O-N 3.22Å
412L87.9Confident86.5Confident56 Ų5662.3 Ų62.329%0.29331%0.312SS..Hα-helixtrans-70.2-40.1174.3-67.3-177.6000111.6L336 P337 R409 V410 I414 Q415 I416L336-L412 HydrophobicContact CD2-CD2 4.06Å; P337-L412 HydrophobicContact CG-CD1 4.09Å; P337-L412 HydrophobicContact CG-CD2 4.09Å; P337-L412 HydrophobicContact CG-CG 4.11Å; R409-L412 HydrophobicContact CB-CB 4.25Å; R409-L412 HydrophobicContact CB-CD1 4.01Å; R409-L412 HydrophobicContact CB-CG 4.18Å; R409-L412 HydrophobicContact CG-CD1 4.48Å; R409-L412 PolarHBondContact O-N 2.97Å; R409-L412 VanDerWaalsContact O-N 3.15Å; V410-L412 PolarHBondContact O-N 2.93Å; L412-I414 VanDerWaalsContact C-N 3.3Å; L412-I414 PolarHBondContact O-N 3.1Å; L412-Q415 PolarHBondContact O-N 3.07Å; L412-I416 VanDerWaalsContact O-CG1 3.31Å; L412-I416 WeakPolarHBondContact O-CG1 3.3Å; L412-I416 PolarHBondContact O-N 3.17Å
413I90.3Very high86.1Confident48 Ų4867.1 Ų67.125%0.24633%0.33CS..Hα-helixtrans-57.6-47.9174.8-64.2169.3000109.6V387 L391 R409 V410 I416 M417V387-I413 HydrophobicContact CG1-CG2 4.36Å; L391-I413 HydrophobicContact CD1-CD1 4.2Å; L391-I413 HydrophobicContact CD2-CD1 4.36Å; R409-I413 PolarHBondContact O-N 2.92Å; V410-I413 PolarHBondContact O-N 2.67Å; I413-I416 PolarHBondContact O-N 3.15Å; I413-M417 HydrophobicContact CG2-CG 4.46Å; I413-M417 HydrophobicContact CG2-SD 4.01Å; I413-M417 WeakPolarHBondContact O-CB 3.47Å; I413-M417 VanDerWaalsContact O-CG 3.22Å; I413-M417 WeakPolarHBondContact O-CG 3.45Å; I413-M417 PolarHBondContact O-N 3.07Å
414I86.4Confident85.8Confident5 Ų566.7 Ų66.73%0.02633%0.326CS..Hα-helixtrans-63.2-43.5177.4-70166.6000111.6I383 F384 V387 V410 G411 L412 I416 M417 I418I383-I414 HydrophobicContact CG2-CD1 4.23Å; I383-I414 HydrophobicContact CG2-CG1 4.37Å; I383-I414 HydrophobicContact CG2-CG2 4.32Å; F384-I414 HydrophobicContact CB-CD1 4.34Å; F384-I414 HydrophobicContact CD1-CD1 3.62Å; F384-I414 HydrophobicContact CD2-CD1 3.52Å; F384-I414 HydrophobicContact CE1-CD1 3.69Å; F384-I414 HydrophobicContact CE2-CD1 3.58Å; F384-I414 HydrophobicContact CG-CD1 3.56Å; F384-I414 HydrophobicContact CZ-CD1 3.67Å; V387-I414 HydrophobicContact CB-CD1 4.39Å; V387-I414 HydrophobicContact CB-CG1 4.34Å; V387-I414 HydrophobicContact CG1-CG1 4.33Å; V387-I414 HydrophobicContact CG2-CD1 4.3Å; V387-I414 HydrophobicContact CG2-CG1 3.93Å; V410-I414 HydrophobicContact CG1-CD1 3.91Å; V410-I414 WeakPolarHBondContact O-CG1 3.49Å; V410-I414 PolarHBondContact O-N 3.34Å; G411-I414 PolarHBondContact O-N 3.16Å; L412-I414 VanDerWaalsContact C-N 3.3Å; L412-I414 PolarHBondContact O-N 3.1Å; I414-I416 PolarHBondContact O-N 3.33Å; I414-M417 PolarHBondContact O-N 2.9Å; I414-I418 HydrophobicContact CG2-CD1 3.66Å; I414-I418 HydrophobicContact CG2-CG1 4.29Å; I414-I418 WeakPolarHBondContact O-CB 3.36Å; I414-I418 VanDerWaalsContact O-CG1 3.24Å; I414-I418 WeakPolarHBondContact O-CG1 3.27Å; I414-I418 PolarHBondContact O-N 3.27Å
415Q82.9Confident85Confident68 Ų6864.3 Ų64.332%0.31832%0.317SS..Hα-helixtrans-60.6-45.6178.2-176-179.3-5.400111.5L336 G411 L412 I418 S419L336-Q415 HydrophobicContact CD2-CB 4.37Å; G411-Q415 WeakPolarHBondContact O-CB 3.36Å; G411-Q415 PolarHBondContact O-N 3.22Å; L412-Q415 PolarHBondContact O-N 3.07Å; Q415-I418 PolarHBondContact O-N 3.24Å; Q415-S419 WeakPolarHBondContact O-CB 3.34Å; Q415-S419 PolarHBondContact O-N 3.07Å; Q415-S419 PolarHBondContact O-OG 3.3Å; Q415-S419 VanDerWaalsContact O-OG 3.1Å
416I87.2Confident84Confident103 Ų10364.4 Ų64.453%0.52833%0.325SS..Hα-helixtrans-62.5-47.8175.9-66.7165.5000109.9L412 I413 I414 I418 S419 E420L412-I416 VanDerWaalsContact O-CG1 3.31Å; L412-I416 WeakPolarHBondContact O-CG1 3.3Å; L412-I416 PolarHBondContact O-N 3.17Å; I413-I416 PolarHBondContact O-N 3.15Å; I414-I416 PolarHBondContact O-N 3.33Å; I416-I418 VanDerWaalsContact C-N 3.28Å; I416-I418 PolarHBondContact O-N 3.45Å; I416-S419 CarbonylContact O-C 3.6Å; I416-S419 PolarHBondContact O-N 3.04Å; I416-S419 VanDerWaalsContact O-N 3.1Å; I416-E420 HydrophobicContact CG2-CG 4.11Å; I416-E420 WeakPolarHBondContact O-CG 3.28Å; I416-E420 PolarHBondContact O-N 3.19Å
417M87.1Confident82.6Confident94 Ų9462.3 Ų62.346%0.46331%0.313SS..Hα-helixtrans-55.6-43.5177.1-73.3174.771.100112.2V387 I413 I414 E420 L421V387-M417 HydrophobicContact CG2-SD 4.3Å; I413-M417 HydrophobicContact CG2-CG 4.46Å; I413-M417 HydrophobicContact CG2-SD 4.01Å; I413-M417 WeakPolarHBondContact O-CB 3.47Å; I413-M417 VanDerWaalsContact O-CG 3.22Å; I413-M417 WeakPolarHBondContact O-CG 3.45Å; I413-M417 PolarHBondContact O-N 3.07Å; I414-M417 PolarHBondContact O-N 2.9Å; M417-E420 PolarHBondContact O-N 3.23Å; M417-L421 WeakPolarHBondContact O-CB 3.1Å; M417-L421 VanDerWaalsContact O-CG 3.25Å; M417-L421 WeakPolarHBondContact O-CG 3.38Å; M417-L421 PolarHBondContact O-N 3.34Å
418I80.1Confident81Confident20 Ų2060.1 Ų60.110%0.10331%0.314CS..Hα-helixtrans-63.9-46.2176.9-71168.8000110.7L370 V373 L375 I414 Q415 I416 E420 L421 A422L370-I418 HydrophobicContact CD2-CD1 4.48Å; V373-I418 HydrophobicContact CB-CG2 3.91Å; V373-I418 HydrophobicContact CG1-CG2 3.6Å; V373-I418 HydrophobicContact CG2-CG2 3.57Å; L375-I418 HydrophobicContact CD2-CD1 4.49Å; I414-I418 HydrophobicContact CG2-CD1 3.66Å; I414-I418 HydrophobicContact CG2-CG1 4.29Å; I414-I418 WeakPolarHBondContact O-CB 3.36Å; I414-I418 VanDerWaalsContact O-CG1 3.24Å; I414-I418 WeakPolarHBondContact O-CG1 3.27Å; I414-I418 PolarHBondContact O-N 3.27Å; Q415-I418 PolarHBondContact O-N 3.24Å; I416-I418 VanDerWaalsContact C-N 3.28Å; I416-I418 PolarHBondContact O-N 3.45Å; I418-E420 VanDerWaalsContact C-N 3.31Å; I418-E420 PolarHBondContact O-N 3.29Å; I418-L421 PolarHBondContact O-N 3.21Å; I418-A422 VanDerWaalsContact O-CB 3.24Å; I418-A422 WeakPolarHBondContact O-CB 3.39Å; I418-A422 PolarHBondContact O-N 3.45Å
419S79.9Confident79Confident56 Ų5662.7 Ų62.739%0.39234%0.341SS..Hα-helixtrans-63.8-33.3176.9-64.80000113.2Q415 I416 A422 R423Q415-S419 WeakPolarHBondContact O-CB 3.34Å; Q415-S419 PolarHBondContact O-N 3.07Å; Q415-S419 PolarHBondContact O-OG 3.3Å; Q415-S419 VanDerWaalsContact O-OG 3.1Å; I416-S419 CarbonylContact O-C 3.6Å; I416-S419 PolarHBondContact O-N 3.04Å; I416-S419 VanDerWaalsContact O-N 3.1Å; S419-A422 WeakPolarHBondContact O-CB 3.34Å; S419-R423 PolarHBondContact O-N 2.94Å; S419-R423 VanDerWaalsContact O-N 3.11Å
420E84.6Confident77.1Confident90 Ų9065.7 Ų65.742%0.42136%0.356SS..Hα-helixtrans-71.6-43.9173.9-69.8-52.812200111.4I416 M417 I418 A422 R423 S424I416-E420 HydrophobicContact CG2-CG 4.11Å; I416-E420 WeakPolarHBondContact O-CG 3.28Å; I416-E420 PolarHBondContact O-N 3.19Å; M417-E420 PolarHBondContact O-N 3.23Å; I418-E420 VanDerWaalsContact C-N 3.31Å; I418-E420 PolarHBondContact O-N 3.29Å; E420-A422 VanDerWaalsContact C-N 3.33Å; E420-A422 PolarHBondContact O-N 2.91Å; E420-R423 PolarHBondContact O-N 2.83Å; E420-R423 IonicContact OE1-CZ 3.58Å; E420-R423 IonicContact OE1-NH1 2.63Å; E420-R423 PolarHBondContact OE1-NH1 3.46Å; E420-R423 IonicContact OE1-NH2 2.67Å; E420-R423 PolarHBondContact OE1-NH2 3.29Å; E420-R423 IonicContact OE2-CZ 3.21Å; E420-R423 IonicContact OE2-NH1 2.69Å; E420-R423 PolarHBondContact OE2-NH1 3Å; E420-S424 PolarHBondContact O-N 3.31Å
421L81.9Confident75.1Confident95 Ų9570.6 Ų70.650%0.49738%0.382SS..Hα-helixtrans-60-45.6174.9-75170.3000111.1M159 M417 I418 R423 S424 M425M159-L421 HydrophobicContact CE-CB 4.46Å; M417-L421 WeakPolarHBondContact O-CB 3.1Å; M417-L421 VanDerWaalsContact O-CG 3.25Å; M417-L421 WeakPolarHBondContact O-CG 3.38Å; M417-L421 PolarHBondContact O-N 3.34Å; I418-L421 PolarHBondContact O-N 3.21Å; L421-R423 VanDerWaalsContact C-N 3.33Å; L421-R423 PolarHBondContact O-N 2.95Å; L421-S424 PolarHBondContact O-N 2.75Å; L421-S424 PolarHBondContact O-OG 2.54Å; L421-M425 WeakPolarHBondContact O-CG 3.14Å; L421-M425 PolarHBondContact O-N 3.25Å
422A75Confident72.9Confident11 Ų1178.6 Ų78.69%0.09142%0.417CS..Hα-helixtrans-52.8-48.2172.900000113.6L161 I418 S419 E420 M425 S426L161-A422 HydrophobicContact CD1-CB 3.06Å; L161-A422 HydrophobicContact CG-CB 4.47Å; I418-A422 VanDerWaalsContact O-CB 3.24Å; I418-A422 WeakPolarHBondContact O-CB 3.39Å; I418-A422 PolarHBondContact O-N 3.45Å; S419-A422 WeakPolarHBondContact O-CB 3.34Å; E420-A422 VanDerWaalsContact C-N 3.33Å; E420-A422 PolarHBondContact O-N 2.91Å; A422-M425 PolarHBondContact O-N 3.47Å; A422-S426 PolarHBondContact O-N 3.24Å; A422-S426 PolarHBondContact O-OG 3.16Å
423R79.9Confident70.9Confident115 Ų11579.7 Ų79.743%0.43443%0.434SS..Hα-helixtrans-66-41.1178.5-160-178-50.61106.5111.3S419 E420 L421 M425 S426 I427S419-R423 PolarHBondContact O-N 2.94Å; S419-R423 VanDerWaalsContact O-N 3.11Å; E420-R423 PolarHBondContact O-N 2.83Å; E420-R423 IonicContact OE1-CZ 3.58Å; E420-R423 IonicContact OE1-NH1 2.63Å; E420-R423 PolarHBondContact OE1-NH1 3.46Å; E420-R423 IonicContact OE1-NH2 2.67Å; E420-R423 PolarHBondContact OE1-NH2 3.29Å; E420-R423 IonicContact OE2-CZ 3.21Å; E420-R423 IonicContact OE2-NH1 2.69Å; E420-R423 PolarHBondContact OE2-NH1 3Å; L421-R423 VanDerWaalsContact C-N 3.33Å; L421-R423 PolarHBondContact O-N 2.95Å; R423-M425 VanDerWaalsContact C-N 3.3Å; R423-M425 PolarHBondContact O-N 2.9Å; R423-S426 PolarHBondContact O-N 3.19Å; R423-S426 PolarHBondContact O-OG 2.66Å; R423-I427 HydrophobicContact CG-CD1 4.18Å; R423-I427 WeakPolarHBondContact O-CD1 3.47Å; R423-I427 VanDerWaalsContact O-CG1 3.29Å; R423-I427 WeakPolarHBondContact O-CG1 3.31Å; R423-I427 PolarHBondContact O-N 3.16Å; R423-I427 VanDerWaalsContact O-N 3.08Å
424S79.8Confident68.5Low63 Ų6383.2 Ų83.244%0.44146%0.458SS..Hα-helixtrans-62.3-37.6177.174.90000112.6E420 L421 S428E420-S424 PolarHBondContact O-N 3.31Å; L421-S424 PolarHBondContact O-N 2.75Å; L421-S424 PolarHBondContact O-OG 2.54Å; S424-S428 PolarHBondContact O-N 2.74Å
425M72Confident65.9Low124 Ų12491.8 Ų91.861%0.61151%0.512SS*.Hα-helixtrans-74-32.2178.3-69.7-175.569.100112.9M159 L421 A422 R423 G429M159-M425 HydrophobicContact CE-CE 4.44Å; M159-M425 HydrophobicContact CE-SD 3.19Å; M159-M425 WeakPolarHBondContact CE-SD 3.42Å; L421-M425 WeakPolarHBondContact O-CG 3.14Å; L421-M425 PolarHBondContact O-N 3.25Å; A422-M425 PolarHBondContact O-N 3.47Å; R423-M425 VanDerWaalsContact C-N 3.3Å; R423-M425 PolarHBondContact O-N 2.9Å; M425-G429 PolarHBondContact O-N 3.31Å
426S67.7Low65Low72 Ų7293 Ų9350%0.50352%0.521SS..Hα-helixtrans-75.4-29.8176.666.50000113.1A422 R423A422-S426 PolarHBondContact O-N 3.24Å; A422-S426 PolarHBondContact O-OG 3.16Å; R423-S426 PolarHBondContact O-N 3.19Å; R423-S426 PolarHBondContact O-OG 2.66Å
427I59.4Low63.8Low88 Ų8892.5 Ų92.545%0.45152%0.521SS..Hα-helixtrans-68.5-46.5172.9-65.5164.3000110.1R423 G429 K430 D431R423-I427 HydrophobicContact CG-CD1 4.18Å; R423-I427 WeakPolarHBondContact O-CD1 3.47Å; R423-I427 VanDerWaalsContact O-CG1 3.29Å; R423-I427 WeakPolarHBondContact O-CG1 3.31Å; R423-I427 PolarHBondContact O-N 3.16Å; R423-I427 VanDerWaalsContact O-N 3.08Å; I427-G429 PolarHBondContact O-N 3.49Å; I427-G429 VanDerWaalsContact O-N 3.12Å; I427-K430 PolarHBondContact O-N 2.95Å; I427-D431 PolarHBondContact O-N 3.2Å
428S57.6Low62.5Low58 Ų5892.4 Ų92.441%0.40652%0.524SS..Hα-helixtrans-59.7-28.4178.9-176.20000113.3S424 F432S424-S428 PolarHBondContact O-N 2.74Å; S428-F432 WeakPolarHBondContact O-CD2 3.39Å; S428-F432 WeakPolarHBondContact O-CE2 3.39Å
429G50.9Low61.5Low55 Ų5596.6 Ų96.657%0.56755%0.549SS*.Hα-helixtrans-74.8-20.4176.100000114.8M425 I427M425-G429 PolarHBondContact O-N 3.31Å; I427-G429 PolarHBondContact O-N 3.49Å; I427-G429 VanDerWaalsContact O-N 3.12Å
430K50.3Low60.4Low159 Ų15999.2 Ų99.269%0.69156%0.559SS**Hα-helixtrans-88.3-32.9177.7-80.1178.8176.5173.70112.6I427 F432 A433I427-K430 PolarHBondContact O-N 2.95Å; K430-F432 PolarHBondContact O-N 2.83Å; K430-A433 PolarHBondContact O-N 2.75Å; K430-A433 VanDerWaalsContact O-N 3.17Å
431D49.1Very low58.7Low103 Ų10399.8 Ų99.855%0.55157%0.568SS**Hα-helixtrans-71-17.6-176.9-63.2-20.8000113.5I427I427-D431 PolarHBondContact O-N 3.2Å
432F41.9Very low57.1Low167 Ų167100.1 Ų100.173%0.73257%0.573SS**THydrogen-bonded Turntrans-89.5-1.6173.7-65.6-64.5000114.7S428 K430S428-F432 WeakPolarHBondContact O-CD2 3.39Å; S428-F432 WeakPolarHBondContact O-CE2 3.39Å; K430-F432 PolarHBondContact O-N 2.83Å
433A45.9Very low55.7Low79 Ų79107 Ų10765%0.65361%0.61SS**SBendtrans-104.3-1.5-176.700000114K430K430-A433 PolarHBondContact O-N 2.75Å; K430-A433 VanDerWaalsContact O-N 3.17Å
434T39Very low53.7Low122 Ų122106.3 Ų106.375%0.74863%0.625SS**  trans-120.724.3-179.148.70000113.9
435T30.9Very low51.3Low186 Ų186110.3 Ų110.3100%1.14164%0.641SS**  trans-135.10163.4-42.90000107.9

Retrieved 435 of 435 residues in 750.9 ms (Link to these results)