A0A061HTV9_CRIGR Loading...

tRNA-splicing endonuclease subunit Sen34

Constitutes one of the two catalytic subunit of the tRNA-splicing endonuclease complex, a complex responsible for identification and cleavage of the splice sites in pre-tRNA. It cleaves pre-tRNA at the 5'- and 3'-splice sites to release the intron. The products are an intron and two tRNA half-molecules bearing 2',3'-cyclic phosphate and 5'-OH termini. There are no conserved sequences at the splice sites, but the intron is invariably located at the same site in the gene, placing the splice sites an invariant distance from the constant structural features of the tRNA body.

AlphaFold DB , UniProt , Accession A0A061HTV9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 315 aa.

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

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
1M72.4Confident90.5Very high165 Ų16553.8 Ų53.881%0.81328%0.277SS*.  0124.80-158.3170.1-150.500108.2T67M1-T67 PolarHBondContact SD-OG1 2.98Å
2L90.1Very high90.8Very high49 Ų4951.6 Ų51.626%0.25727%0.266SS..EExtended strand (participates in β ladder)trans-82.4155-178.2-56.4173.5000110.2A18 A21 L22 A65 V66 T67L2-A18 HydrophobicContact CD1-CB 4.47Å; L2-A18 HydrophobicContact CD2-CB 3.85Å; L2-A21 HydrophobicContact CD1-CB 4.15Å; L2-L22 HydrophobicContact CD1-CD2 3.66Å; L2-L22 HydrophobicContact CD1-CG 4.2Å; L2-A65 PolarHBondContact N-O 3.26Å; L2-V66 HydrophobicContact CB-CB 4.47Å; L2-V66 HydrophobicContact CB-CG1 4.02Å; L2-V66 CarbonylContact O-C 3.55Å; L2-V66 VanDerWaalsContact O-CA 3.27Å; L2-V66 WeakPolarHBondContact O-CA 3.44Å; L2-T67 PolarHBondContact O-N 3.23Å
3V91.4Very high90.9Very high52 Ų5247.8 Ų47.832%0.31525%0.246SC..EExtended strand (participates in β ladder)trans-114.6129.9-178.7178.70000109.4V69V3-V69 HydrophobicContact CG1-CB 4.38Å; V3-V69 HydrophobicContact CG1-CG1 3.98Å; V3-V69 HydrophobicContact CG1-CG2 3.45Å; V3-V69 VanDerWaalsContact CG1-CG2 3.45Å
4V93.8Very high90.8Very high1 Ų148.4 Ų48.41%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-114.7119.7173.5176.30000107.9V13 L52 V66 T67 L68 V69V4-V13 HydrophobicContact CG2-CG2 3.95Å; V4-L52 HydrophobicContact CG1-CD1 4.1Å; V4-L52 HydrophobicContact CG2-CD1 4.05Å; V4-V66 HydrophobicContact CB-CG2 4.48Å; V4-V66 HydrophobicContact CG2-CB 3.87Å; V4-V66 HydrophobicContact CG2-CG1 4.13Å; V4-V66 HydrophobicContact CG2-CG2 3.75Å; V4-T67 PolarHBondContact N-O 2.86Å; V4-L68 HydrophobicContact CB-CD2 3.68Å; V4-L68 HydrophobicContact CG1-CD2 3.82Å; V4-L68 HydrophobicContact CG2-CD2 4.32Å; V4-L68 CarbonylContact O-C 3.5Å; V4-L68 WeakPolarHBondContact O-CA 3.21Å; V4-V69 PolarHBondContact O-N 3.46Å
5E93.2Very high90.5Very high11 Ų1147.2 Ų47.25%0.05125%0.249CC..EExtended strand (participates in β ladder)trans-83.7126.2176.4-172-175.1171.400110S11 L12 W14 V69 R196E5-S11 CarbonylContact O-C 3.54Å; E5-L12 PolarHBondContact N-O 3.34Å; E5-L12 PolarHBondContact O-N 2.91Å; E5-W14 PolarHBondContact OE2-NE1 3.07Å; E5-V69 CarbonylContact C-O 3.03Å; E5-V69 WeakPolarHBondContact CA-O 3.1Å; E5-V69 HydrophobicContact CB-CG2 4.48Å; E5-R196 IonicContact OE1-CZ 3.11Å; E5-R196 IonicContact OE1-NH1 3.24Å; E5-R196 PolarHBondContact OE1-NH1 3.31Å; E5-R196 IonicContact OE2-CZ 3.34Å; E5-R196 IonicContact OE2-NE 3.15Å; E5-R196 IonicContact OE2-NH1 3.84Å; E5-R196 PolarHBondContact OE2-NH1 3.48Å
6V94.2Very high90.4Very high0 Ų048.4 Ų48.40%027%0.267CS..EExtended strand (participates in β ladder)trans-107.5120.5177.3-168.90000109.3R10 L68 V69 L205 D213 W214V6-R10 CarbonylContact C-O 3.56Å; V6-R10 VanDerWaalsContact CA-O 3.31Å; V6-R10 WeakPolarHBondContact CA-O 3.4Å; V6-L68 HydrophobicContact CG2-CB 3.94Å; V6-L68 HydrophobicContact CG2-CD1 4.26Å; V6-L68 HydrophobicContact CG2-CD2 4.23Å; V6-L68 HydrophobicContact CG2-CG 4.37Å; V6-V69 PolarHBondContact N-O 3.48Å; V6-L205 HydrophobicContact CB-CD1 4.19Å; V6-L205 HydrophobicContact CG1-CD1 4.36Å; V6-D213 HydrophobicContact CG1-CB 4.11Å; V6-D213 WeakPolarHBondContact CG1-O 3.38Å; V6-W214 HydrophobicContact CG1-CE3 4.24Å
7A90.3Very high90.4Very high29 Ų2955.2 Ų55.224%0.2430%0.297CS..EExtended strand (participates in β ladder)trans-139.5124.3177.400000110.3G9 R10A7-G9 VanDerWaalsContact C-N 3.33Å; A7-G9 PolarHBondContact O-N 2.9Å; A7-R10 PolarHBondContact N-O 3.34Å; A7-R10 WeakPolarHBondContact O-CB 3.4Å; A7-R10 PolarHBondContact O-N 3.13Å
8N88.9Confident90.4Very high104 Ų10452.9 Ų52.956%0.55629%0.287SS*.THydrogen-bonded Turntrans54.742.6179.5-61-55.1000113.8R10 R73 D213N8-R10 PolarHBondContact O-N 2.96Å; N8-R73 PolarHBondContact OD1-NH1 2.93Å; N8-R73 PolarHBondContact OD1-NH2 2.87Å; N8-D213 PolarHBondContact N-OD1 3.34Å
9G91.8Very high90.5Very high18 Ų1851.3 Ų51.319%0.18628%0.279CS..THydrogen-bonded Turntrans73.18.8-177.600000114.4A7 D213A7-G9 VanDerWaalsContact C-N 3.33Å; A7-G9 PolarHBondContact O-N 2.9Å; G9-D213 WeakPolarHBondContact CA-O 3.02Å; G9-D213 PolarHBondContact N-O 3.12Å
10R93.9Very high90.6Very high161 Ų16153.7 Ų53.761%0.60829%0.288SS*.EExtended strand (participates in β ladder)trans-111.8127.2178.4-61.3-179.5-177.4170.41.1110.2V6 A7 N8 L51V6-R10 CarbonylContact C-O 3.56Å; V6-R10 VanDerWaalsContact CA-O 3.31Å; V6-R10 WeakPolarHBondContact CA-O 3.4Å; A7-R10 PolarHBondContact N-O 3.34Å; A7-R10 WeakPolarHBondContact O-CB 3.4Å; A7-R10 PolarHBondContact O-N 3.13Å; N8-R10 PolarHBondContact O-N 2.96Å; R10-L51 HydrophobicContact CB-CD1 3.8Å; R10-L51 HydrophobicContact CG-CD1 4.25Å
11S95.9Very high90.8Very high2 Ų252.1 Ų52.11%0.01428%0.282CS..EExtended strand (participates in β ladder)trans-97.1118.2178.1-65.10000110E5 L51 L52 A57E5-S11 CarbonylContact O-C 3.54Å; S11-L51 WeakPolarHBondContact O-CA 3.18Å; S11-L52 PolarHBondContact O-N 3.47Å; S11-A57 VanDerWaalsContact OG-CB 3.24Å; S11-A57 WeakPolarHBondContact OG-CB 3.27Å
12L93.8Very high91.8Very high27 Ų2744.3 Ų44.314%0.14124%0.244CC..EExtended strand (participates in β ladder)trans-122.4132.6-169.6-59.4174.5000111.1E5 W14 P49 L50 L51E5-L12 PolarHBondContact N-O 3.34Å; E5-L12 PolarHBondContact O-N 2.91Å; L12-W14 HydrophobicContact CD1-CZ2 4.19Å; L12-P49 HydrophobicContact CB-CB 4.26Å; L12-P49 HydrophobicContact CD2-CB 4.39Å; L12-P49 HydrophobicContact CD2-CG 4.05Å; L12-L50 CarbonylContact C-O 3.58Å; L12-L50 WeakPolarHBondContact CA-O 3.4Å; L12-L51 HydrophobicContact CD2-CB 4.24Å; L12-L51 HydrophobicContact CD2-CD1 3.75Å
13V92.5Very high92.1Very high3 Ų344 Ų442%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-115.1118.6173.6-1750000108.2V4 A18 V19 L22 P49 L50 L52V4-V13 HydrophobicContact CG2-CG2 3.95Å; V13-A18 HydrophobicContact CG1-CB 3.66Å; V13-V19 HydrophobicContact CB-CG2 4.07Å; V13-V19 HydrophobicContact CG1-CG2 3.72Å; V13-L22 HydrophobicContact CG1-CD1 4.48Å; V13-L22 HydrophobicContact CG2-CD1 3.74Å; V13-P49 CarbonylContact O-C 3.43Å; V13-P49 VanDerWaalsContact O-CA 3.31Å; V13-P49 WeakPolarHBondContact O-CA 3.42Å; V13-P49 WeakPolarHBondContact O-CB 3.49Å; V13-L50 HydrophobicContact CB-CB 4.17Å; V13-L50 PolarHBondContact N-O 3.15Å; V13-L50 PolarHBondContact O-N 2.94Å; V13-L52 HydrophobicContact CG2-CD1 3.91Å; V13-L52 HydrophobicContact CG2-CG 4.2Å
14W88.9Confident92.2Very high55 Ų5548 Ų4821%0.20825%0.254CS..  trans-98.5-13-173.5-66.795.6000114.5E5 L12 P49 R196E5-W14 PolarHBondContact OE2-NE1 3.07Å; L12-W14 HydrophobicContact CD1-CZ2 4.19Å; W14-P49 HydrophobicContact CD2-CB 3.73Å; W14-P49 HydrophobicContact CD2-CG 4.24Å; W14-P49 HydrophobicContact CE3-CB 3.78Å; W14-P49 HydrophobicContact CE3-CG 4.05Å; W14-P49 HydrophobicContact CG-CB 4.22Å; W14-P49 HydrophobicContact CH2-CB 4.37Å; W14-P49 HydrophobicContact CH2-CG 3.81Å; W14-P49 HydrophobicContact CZ2-CB 4.32Å; W14-P49 HydrophobicContact CZ2-CG 4Å; W14-P49 HydrophobicContact CZ3-CB 4.12Å; W14-P49 HydrophobicContact CZ3-CG 3.85Å; W14-R196 HydrophobicContact CB-CB 3.91Å; W14-R196 HydrophobicContact CD2-CB 3.55Å; W14-R196 HydrophobicContact CE3-CB 3.92Å; W14-R196 HydrophobicContact CG-CB 3.55Å
15G87.1Confident92.2Very high31 Ų3157.7 Ų57.732%0.3229%0.291SS..  trans-98.1129.4-176.800000112.1E17 A18 V19G15-E17 PolarHBondContact O-N 3.33Å; G15-A18 WeakPolarHBondContact O-CB 3.44Å; G15-A18 PolarHBondContact O-N 3.15Å; G15-V19 WeakPolarHBondContact O-CG2 3.47Å; G15-V19 PolarHBondContact O-N 2.97Å
16A88.2Confident92.3Very high66 Ų6659 Ų5955%0.54530%0.298SS..Hα-helixtrans-59.4-44.7178.300000112.5A18 V19 Q20 L48A16-A18 VanDerWaalsContact C-N 3.3Å; A16-A18 PolarHBondContact O-N 2.9Å; A16-V19 PolarHBondContact O-N 2.96Å; A16-Q20 WeakPolarHBondContact O-CB 3.39Å; A16-Q20 PolarHBondContact O-N 3.14Å; A16-L48 HydrophobicContact CB-CD1 4.02Å
17E89.6Confident92.4Very high165 Ų16559.8 Ų59.877%0.77131%0.306SS*.Hα-helixtrans-61.3-38.9176.6-63.4176.4-179.900112.1G15 Q20 A21G15-E17 PolarHBondContact O-N 3.33Å; E17-Q20 PolarHBondContact O-N 3.41Å; E17-A21 WeakPolarHBondContact O-CB 3.41Å; E17-A21 PolarHBondContact O-N 3.05Å
18A91.4Very high92.7Very high14 Ų1458.4 Ų58.412%0.11629%0.294CS..Hα-helixtrans-64.7-46.6175.900000110.4L2 V13 G15 A16 Q20 A21 L22L2-A18 HydrophobicContact CD1-CB 4.47Å; L2-A18 HydrophobicContact CD2-CB 3.85Å; V13-A18 HydrophobicContact CG1-CB 3.66Å; G15-A18 WeakPolarHBondContact O-CB 3.44Å; G15-A18 PolarHBondContact O-N 3.15Å; A16-A18 VanDerWaalsContact C-N 3.3Å; A16-A18 PolarHBondContact O-N 2.9Å; A18-Q20 VanDerWaalsContact C-N 3.33Å; A18-Q20 PolarHBondContact O-N 3.26Å; A18-A21 PolarHBondContact O-N 3.11Å; A18-L22 VanDerWaalsContact O-CG 3.3Å; A18-L22 WeakPolarHBondContact O-CG 3.42Å; A18-L22 PolarHBondContact O-N 2.69Å
19V92.4Very high92.9Very high21 Ų2153.6 Ų53.613%0.12727%0.269CS..Hα-helixtrans-59.5-43.9176.4169.30000111.7V13 G15 A16 L22 R23 L48 L50V13-V19 HydrophobicContact CB-CG2 4.07Å; V13-V19 HydrophobicContact CG1-CG2 3.72Å; G15-V19 WeakPolarHBondContact O-CG2 3.47Å; G15-V19 PolarHBondContact O-N 2.97Å; A16-V19 PolarHBondContact O-N 2.96Å; V19-L22 PolarHBondContact O-N 3.35Å; V19-R23 WeakPolarHBondContact O-CB 3.47Å; V19-R23 PolarHBondContact O-N 3.11Å; V19-R23 VanDerWaalsContact O-N 3.13Å; V19-L48 HydrophobicContact CG2-CD2 3.7Å; V19-L50 HydrophobicContact CB-CD2 4.47Å; V19-L50 HydrophobicContact CG1-CB 4.44Å; V19-L50 HydrophobicContact CG1-CD1 4.23Å; V19-L50 HydrophobicContact CG1-CD2 4.09Å; V19-L50 HydrophobicContact CG1-CG 4.5Å; V19-L50 HydrophobicContact CG2-CB 3.51Å; V19-L50 HydrophobicContact CG2-CD2 3.97Å; V19-L50 HydrophobicContact CG2-CG 4.27Å
20Q92.1Very high92.9Very high100 Ų10053.7 Ų53.747%0.46727%0.271SS..Hα-helixtrans-60.2-47.7175.5-175.4179.50.200111A16 E17 A18 L22 R23 E24A16-Q20 WeakPolarHBondContact O-CB 3.39Å; A16-Q20 PolarHBondContact O-N 3.14Å; E17-Q20 PolarHBondContact O-N 3.41Å; A18-Q20 VanDerWaalsContact C-N 3.33Å; A18-Q20 PolarHBondContact O-N 3.26Å; Q20-L22 PolarHBondContact O-N 2.64Å; Q20-R23 PolarHBondContact O-N 3.33Å; Q20-E24 VanDerWaalsContact CG-CD 3.4Å; Q20-E24 HydrophobicContact CG-CG 4.17Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.43Å; Q20-E24 WeakPolarHBondContact CG-OE2 3.37Å; Q20-E24 PolarHBondContact NE2-OE1 3.39Å; Q20-E24 PolarHBondContact NE2-OE2 3.04Å; Q20-E24 WeakPolarHBondContact O-CB 3.46Å; Q20-E24 PolarHBondContact O-N 3.09Å
21A93.9Very high92.8Very high20 Ų2053.6 Ų53.617%0.16527%0.271CS..Hα-helixtrans-61.9-41.7178.500000112.8L2 E17 A18 R23 R25L2-A21 HydrophobicContact CD1-CB 4.15Å; E17-A21 WeakPolarHBondContact O-CB 3.41Å; E17-A21 PolarHBondContact O-N 3.05Å; A18-A21 PolarHBondContact O-N 3.11Å; A21-R23 VanDerWaalsContact C-N 3.29Å; A21-R23 PolarHBondContact O-N 3.46Å; A21-R25 VanDerWaalsContact O-CB 3.27Å; A21-R25 WeakPolarHBondContact O-CB 3.39Å; A21-R25 PolarHBondContact O-N 3.39Å
22L95.4Very high92.4Very high1 Ų154.7 Ų54.71%0.00528%0.277CS..Hα-helixtrans-59.2-42.8176.1-67.5-174.3000111.5L2 V13 A18 V19 Q20 L26 G27 V28 L50 L52 L60 V66L2-L22 HydrophobicContact CD1-CD2 3.66Å; L2-L22 HydrophobicContact CD1-CG 4.2Å; V13-L22 HydrophobicContact CG1-CD1 4.48Å; V13-L22 HydrophobicContact CG2-CD1 3.74Å; A18-L22 VanDerWaalsContact O-CG 3.3Å; A18-L22 WeakPolarHBondContact O-CG 3.42Å; A18-L22 PolarHBondContact O-N 2.69Å; V19-L22 PolarHBondContact O-N 3.35Å; Q20-L22 PolarHBondContact O-N 2.64Å; L22-L26 HydrophobicContact CD2-CD1 3.74Å; L22-L26 CarbonylContact O-C 3.33Å; L22-L26 WeakPolarHBondContact O-CA 3.47Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 PolarHBondContact O-N 2.94Å; L22-G27 PolarHBondContact O-N 3.04Å; L22-G27 VanDerWaalsContact O-N 3.15Å; L22-V28 CarbonylContact C-O 3.1Å; L22-V28 HydrophobicContact CB-CB 4.45Å; L22-V28 PolarHBondContact O-N 2.95Å; L22-L50 HydrophobicContact CD1-CD2 4.34Å; L22-L52 HydrophobicContact CD1-CD1 4.39Å; L22-L52 HydrophobicContact CD1-CD2 4.25Å; L22-L60 HydrophobicContact CD1-CD1 4.04Å; L22-L60 HydrophobicContact CD2-CD1 3.7Å; L22-L60 HydrophobicContact CD2-CD2 3.8Å; L22-L60 HydrophobicContact CD2-CG 4.4Å; L22-L60 HydrophobicContact CG-CD1 4.44Å; L22-V66 HydrophobicContact CD2-CG1 3.97Å
23R94.4Very high91.9Very high44 Ų4456 Ų5617%0.16629%0.286CS..Hα-helixtrans-74.3-51.3-176.9175.9177-76.9-102.8-4113V19 Q20 A21 G27 V28 G29 D255V19-R23 WeakPolarHBondContact O-CB 3.47Å; V19-R23 PolarHBondContact O-N 3.11Å; V19-R23 VanDerWaalsContact O-N 3.13Å; Q20-R23 PolarHBondContact O-N 3.33Å; A21-R23 VanDerWaalsContact C-N 3.29Å; A21-R23 PolarHBondContact O-N 3.46Å; R23-G27 PolarHBondContact O-N 3.41Å; R23-V28 VanDerWaalsContact CA-O 3.3Å; R23-V28 WeakPolarHBondContact CA-O 3.32Å; R23-V28 PolarHBondContact N-O 3.31Å; R23-G29 PolarHBondContact NH2-O 3.43Å; R23-G29 VanDerWaalsContact NH2-O 3.17Å; R23-D255 WeakPolarHBondContact CD-OD2 3.5Å; R23-D255 WeakPolarHBondContact CG-OD2 3.42Å; R23-D255 IonicContact CZ-OD1 2.74Å; R23-D255 IonicContact CZ-OD2 3.7Å; R23-D255 IonicContact NE-OD2 3.83Å; R23-D255 IonicContact NH1-OD1 2.85Å; R23-D255 PolarHBondContact NH1-OD1 3.01Å; R23-D255 IonicContact NH1-OD2 2.8Å; R23-D255 PolarHBondContact NH1-OD2 3.15Å
24E93.8Very high91Very high135 Ų13557.7 Ų57.763%0.63130%0.304SS*.Hα-helixtrans-77.8-34.8-172.7-68.3177.7176.600112.7Q20Q20-E24 VanDerWaalsContact CG-CD 3.4Å; Q20-E24 HydrophobicContact CG-CG 4.17Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.43Å; Q20-E24 WeakPolarHBondContact CG-OE2 3.37Å; Q20-E24 PolarHBondContact NE2-OE1 3.39Å; Q20-E24 PolarHBondContact NE2-OE2 3.04Å; Q20-E24 WeakPolarHBondContact O-CB 3.46Å; Q20-E24 PolarHBondContact O-N 3.09Å
25R94.3Very high89.8Confident204 Ų20456.8 Ų56.877%0.7731%0.308SS*.Hα-helixtrans-104.5-27.9-172.3-57172.358.2173.6-0.2113.4A21A21-R25 VanDerWaalsContact O-CB 3.27Å; A21-R25 WeakPolarHBondContact O-CB 3.39Å; A21-R25 PolarHBondContact O-N 3.39Å
26L95.9Very high88.7Confident39 Ų3958.2 Ų58.220%0.20431%0.308CS..Hα-helixtrans-117.20.7-173.3-53.2175.9000113.1L22 V28 L60 I63 A65 W233L22-L26 HydrophobicContact CD2-CD1 3.74Å; L22-L26 CarbonylContact O-C 3.33Å; L22-L26 WeakPolarHBondContact O-CA 3.47Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 PolarHBondContact O-N 2.94Å; L26-V28 PolarHBondContact O-N 3.42Å; L26-L60 HydrophobicContact CB-CD2 4.09Å; L26-L60 HydrophobicContact CD1-CD2 3.46Å; L26-L60 VanDerWaalsContact CD1-CD2 3.46Å; L26-L60 HydrophobicContact CG-CD2 4.39Å; L26-I63 HydrophobicContact CD2-CD1 4.3Å; L26-A65 HydrophobicContact CD1-CB 3.56Å; L26-A65 HydrophobicContact CD2-CB 4.42Å; L26-W233 PolarHBondContact O-NE1 3.48Å
27G96Very high87.4Confident16 Ų1659 Ų5917%0.16531%0.308CS..  trans65.921.2177.200000114.6L22 R23 F238L22-G27 PolarHBondContact O-N 3.04Å; L22-G27 VanDerWaalsContact O-N 3.15Å; R23-G27 PolarHBondContact O-N 3.41Å; G27-F238 VanDerWaalsContact C-CE1 3.46Å; G27-F238 VanDerWaalsContact CA-CZ 3.49Å; G27-F238 VanDerWaalsContact O-CD1 3.31Å; G27-F238 WeakPolarHBondContact O-CD1 3.49Å; G27-F238 WeakPolarHBondContact O-CE1 3.39Å
28V96.8Very high86Confident0 Ų062.7 Ų62.70%032%0.315CS..  trans-107.1113.1-178.4172.60000110.1L22 R23 L26 L52 E56 L60L22-V28 CarbonylContact C-O 3.1Å; L22-V28 HydrophobicContact CB-CB 4.45Å; L22-V28 PolarHBondContact O-N 2.95Å; R23-V28 VanDerWaalsContact CA-O 3.3Å; R23-V28 WeakPolarHBondContact CA-O 3.32Å; R23-V28 PolarHBondContact N-O 3.31Å; L26-V28 PolarHBondContact O-N 3.42Å; V28-L52 HydrophobicContact CG1-CD2 3.76Å; V28-E56 HydrophobicContact CG1-CB 3.99Å; V28-E56 HydrophobicContact CG1-CG 3.75Å; V28-L60 HydrophobicContact CB-CD1 4.45Å; V28-L60 HydrophobicContact CG1-CD1 4.08Å; V28-L60 HydrophobicContact CG2-CD1 4.38Å; V28-L60 HydrophobicContact CG2-CD2 4.03Å; V28-L60 HydrophobicContact CG2-CG 4.19Å
29G92.3Very high84.6Confident3 Ų362.7 Ų62.73%0.03132%0.317CS..  trans-85.2-38-173.200000114.3R23 L50R23-G29 PolarHBondContact NH2-O 3.43Å; R23-G29 VanDerWaalsContact NH2-O 3.17Å; G29-L50 WeakPolarHBondContact O-CD1 3.43Å
30G92.9Very high82.9Confident21 Ų2165.8 Ų65.822%0.21634%0.337CS..  trans53.5-169.3-171.600000114.4E56G30-E56 PolarHBondContact N-OE1 2.9Å
31R90.8Very high81.4Confident159 Ų15972.6 Ų72.660%0.636%0.358SS*.EExtended strand (participates in β ladder)trans-129.8122173.4-172.7-177.574.7-175.92.7110.9L51R31-L51 PolarHBondContact N-O 3.46Å; R31-L51 WeakPolarHBondContact O-CB 3.39Å; R31-L51 PolarHBondContact O-N 2.95Å
32T87.6Confident79.9Confident24 Ų2476.2 Ų76.215%0.14737%0.372CS..EExtended strand (participates in β ladder)trans-63.1137.7172.855.10000111.1N43 S44 R45 G47 L50T32-N43 PolarHBondContact OG1-O 3.41Å; T32-S44 VanDerWaalsContact OG1-CA 3.24Å; T32-S44 WeakPolarHBondContact OG1-CA 3.34Å; T32-S44 PolarHBondContact OG1-O 3.36Å; T32-S44 VanDerWaalsContact OG1-O 3.1Å; T32-R45 PolarHBondContact OG1-N 3Å; T32-G47 WeakPolarHBondContact CB-O 3.3Å; T32-G47 WeakPolarHBondContact CG2-O 3.47Å; T32-L50 HydrophobicContact CG2-CD1 4.07Å
33V83.1Confident78.1Confident56 Ų5679 Ų7934%0.33939%0.387SS..  trans-118.6129.7176.5179.80000108.8L48 P49 L51V33-L48 CarbonylContact O-C 3.6Å; V33-L48 VanDerWaalsContact O-C 3.27Å; V33-P49 PolarHBondContact N-O 3.32Å; V33-L51 HydrophobicContact CG2-CB 3.57Å; V33-L51 HydrophobicContact CG2-CD2 4.14Å; V33-L51 HydrophobicContact CG2-CG 4.5Å
34G73.3Confident76.5Confident38 Ų3881.1 Ų81.139%0.39241%0.408SS..  trans125.9171.3179.700000112.2N43G34-N43 WeakPolarHBondContact O-CA 3.41Å; G34-N43 WeakPolarHBondContact O-CB 3.39Å
35A64.8Low75.1Confident36 Ų3682.5 Ų82.530%0.29841%0.408SS..  trans-130.9133.5174.700000108.7N43 L192A35-N43 WeakPolarHBondContact CA-OD1 3.49Å; A35-N43 VanDerWaalsContact CB-CG 3.48Å; A35-N43 WeakPolarHBondContact CB-OD1 3.34Å; A35-L192 WeakPolarHBondContact O-CD1 3.38Å
36L64.9Low73.8Confident60 Ų6077 Ų7731%0.31439%0.393SS..BIsolated β-bridgetrans-76.1128.4167-70.6-175.1000108.2R38 G39 L46L36-R38 PolarHBondContact O-N 2.98Å; L36-R38 VanDerWaalsContact O-N 3.08Å; L36-G39 CarbonylContact O-C 3.56Å; L36-G39 VanDerWaalsContact O-C 3.25Å; L36-G39 PolarHBondContact O-N 2.89Å; L36-L46 HydrophobicContact CD1-CB 3.42Å; L36-L46 VanDerWaalsContact CD1-CB 3.42Å; L36-L46 HydrophobicContact CD1-CD1 3.82Å; L36-L46 HydrophobicContact CD1-CG 4.27Å; L36-L46 HydrophobicContact CG-CB 4Å
37P59.2Low72.7Confident84 Ų8475.4 Ų75.455%0.54539%0.386SS..THydrogen-bonded Turntrans-54.3-32.7-178.8-28.835.2000113.8
38R60.4Low72.2Confident241 Ų24176.6 Ų76.691%0.90939%0.388SS*.THydrogen-bonded Turntrans-87.5-1.6178-69.8-175.9164.5151.1-2.8114.5L36L36-R38 PolarHBondContact O-N 2.98Å; L36-R38 VanDerWaalsContact O-N 3.08Å
39G62.6Low71.8Confident15 Ų1577.2 Ų77.216%0.15539%0.392CS..BIsolated β-bridgetrans-150.157.9-176.800000113.2L36 R41 Q42L36-G39 CarbonylContact O-C 3.56Å; L36-G39 VanDerWaalsContact O-C 3.25Å; L36-G39 PolarHBondContact O-N 2.89Å; G39-R41 PolarHBondContact O-N 3.09Å; G39-Q42 PolarHBondContact O-N 3.25Å
40P56.8Low71.8Confident85 Ų8577.1 Ų77.155%0.55239%0.391SS*.THydrogen-bonded Turntrans-65.1-13.3-173.327.4-36.2000114.2N43P40-N43 PolarHBondContact O-ND2 3.47Å; P40-N43 PolarHBondContact O-OD1 2.95Å
41R60Low71.8Confident244 Ų24477.5 Ų77.592%0.92139%0.388SS*.THydrogen-bonded Turntrans-89.9-3.1174.3-65.2-176.4-179.2164.20.3113.4G39G39-R41 PolarHBondContact O-N 3.09Å
42Q62.3Low72.2Confident96 Ų9670.2 Ų70.245%0.44936%0.361SS..  trans-111.922.1-177.3-63.4-174.1-9.400113.6G39 S44 R45 L46G39-Q42 PolarHBondContact O-N 3.25Å; Q42-S44 PolarHBondContact O-N 3.03Å; Q42-S44 VanDerWaalsContact O-N 3.1Å; Q42-R45 PolarHBondContact O-N 2.91Å; Q42-L46 HydrophobicContact CB-CD1 4.15Å; Q42-L46 HydrophobicContact CB-CG 4.37Å; Q42-L46 PolarHBondContact O-N 2.97Å; Q42-L46 VanDerWaalsContact O-N 3.14Å
43N58.7Low72.6Confident60 Ų6070.6 Ų70.632%0.32136%0.362SS..THydrogen-bonded Turntrans-58.3-26.2-176.5-61.8-5.1000113.8T32 G34 A35 P40 R45T32-N43 PolarHBondContact OG1-O 3.41Å; G34-N43 WeakPolarHBondContact O-CA 3.41Å; G34-N43 WeakPolarHBondContact O-CB 3.39Å; A35-N43 WeakPolarHBondContact CA-OD1 3.49Å; A35-N43 VanDerWaalsContact CB-CG 3.48Å; A35-N43 WeakPolarHBondContact CB-OD1 3.34Å; P40-N43 PolarHBondContact O-ND2 3.47Å; P40-N43 PolarHBondContact O-OD1 2.95Å; N43-R45 VanDerWaalsContact C-N 3.29Å; N43-R45 PolarHBondContact O-N 3.34Å
44S61.3Low73.3Confident87 Ų8769.2 Ų69.261%0.60835%0.354SS*.THydrogen-bonded Turntrans-80.9-1.8177.254.50000114.6T32 Q42T32-S44 VanDerWaalsContact OG1-CA 3.24Å; T32-S44 WeakPolarHBondContact OG1-CA 3.34Å; T32-S44 PolarHBondContact OG1-O 3.36Å; T32-S44 VanDerWaalsContact OG1-O 3.1Å; Q42-S44 PolarHBondContact O-N 3.03Å; Q42-S44 VanDerWaalsContact O-N 3.1Å
45R63.7Low74.5Confident165 Ų16567.4 Ų67.462%0.62334%0.335SS*.THydrogen-bonded Turntrans-128.7-37.6-175.8-66.8-176-179.1160.4-0.5114.4T32 Q42 N43 L257T32-R45 PolarHBondContact OG1-N 3Å; Q42-R45 PolarHBondContact O-N 2.91Å; N43-R45 VanDerWaalsContact C-N 3.29Å; N43-R45 PolarHBondContact O-N 3.34Å; R45-L257 HydrophobicContact CG-CD2 4.1Å
46L65.9Low76.1Confident88 Ų8865.8 Ų65.846%0.46132%0.322SS..SBendtrans-113.911.6-166.4-57.2-178.1000114.5L36 Q42L36-L46 HydrophobicContact CD1-CB 3.42Å; L36-L46 VanDerWaalsContact CD1-CB 3.42Å; L36-L46 HydrophobicContact CD1-CD1 3.82Å; L36-L46 HydrophobicContact CD1-CG 4.27Å; L36-L46 HydrophobicContact CG-CB 4Å; Q42-L46 HydrophobicContact CB-CD1 4.15Å; Q42-L46 HydrophobicContact CB-CG 4.37Å; Q42-L46 PolarHBondContact O-N 2.97Å; Q42-L46 VanDerWaalsContact O-N 3.14Å
47G74.3Confident77.7Confident6 Ų663 Ų636%0.06231%0.307CS..  trans-101.8133.7-179.300000112.8T32T32-G47 WeakPolarHBondContact CB-O 3.3Å; T32-G47 WeakPolarHBondContact CG2-O 3.47Å
48L84.1Confident79.5Confident40 Ų4060.2 Ų60.221%0.20929%0.286CS..SBendtrans-108.9148.3158.5-72.9172.4000108.3A16 V19 V33 T194A16-L48 HydrophobicContact CB-CD1 4.02Å; V19-L48 HydrophobicContact CG2-CD2 3.7Å; V33-L48 CarbonylContact O-C 3.6Å; V33-L48 VanDerWaalsContact O-C 3.27Å; L48-T194 WeakPolarHBondContact CB-O 3.39Å; L48-T194 WeakPolarHBondContact CD1-O 3.48Å
49P89.1Confident81.3Confident13 Ų1348.9 Ų48.98%0.08424%0.243CC..SBendcis-80.8161.39.632-34.4000114.6L12 V13 W14 V33L12-P49 HydrophobicContact CB-CB 4.26Å; L12-P49 HydrophobicContact CD2-CB 4.39Å; L12-P49 HydrophobicContact CD2-CG 4.05Å; V13-P49 CarbonylContact O-C 3.43Å; V13-P49 VanDerWaalsContact O-CA 3.31Å; V13-P49 WeakPolarHBondContact O-CA 3.42Å; V13-P49 WeakPolarHBondContact O-CB 3.49Å; W14-P49 HydrophobicContact CD2-CB 3.73Å; W14-P49 HydrophobicContact CD2-CG 4.24Å; W14-P49 HydrophobicContact CE3-CB 3.78Å; W14-P49 HydrophobicContact CE3-CG 4.05Å; W14-P49 HydrophobicContact CG-CB 4.22Å; W14-P49 HydrophobicContact CH2-CB 4.37Å; W14-P49 HydrophobicContact CH2-CG 3.81Å; W14-P49 HydrophobicContact CZ2-CB 4.32Å; W14-P49 HydrophobicContact CZ2-CG 4Å; W14-P49 HydrophobicContact CZ3-CB 4.12Å; W14-P49 HydrophobicContact CZ3-CG 3.85Å; V33-P49 PolarHBondContact N-O 3.32Å
50L91.9Very high83Confident1 Ų148.1 Ų48.11%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-80.9121.6163.3-171.782.2000109.1L12 V13 V19 L22 G29 T32 L52L12-L50 CarbonylContact C-O 3.58Å; L12-L50 WeakPolarHBondContact CA-O 3.4Å; V13-L50 HydrophobicContact CB-CB 4.17Å; V13-L50 PolarHBondContact N-O 3.15Å; V13-L50 PolarHBondContact O-N 2.94Å; V19-L50 HydrophobicContact CB-CD2 4.47Å; V19-L50 HydrophobicContact CG1-CB 4.44Å; V19-L50 HydrophobicContact CG1-CD1 4.23Å; V19-L50 HydrophobicContact CG1-CD2 4.09Å; V19-L50 HydrophobicContact CG1-CG 4.5Å; V19-L50 HydrophobicContact CG2-CB 3.51Å; V19-L50 HydrophobicContact CG2-CD2 3.97Å; V19-L50 HydrophobicContact CG2-CG 4.27Å; L22-L50 HydrophobicContact CD1-CD2 4.34Å; G29-L50 WeakPolarHBondContact O-CD1 3.43Å; T32-L50 HydrophobicContact CG2-CD1 4.07Å; L50-L52 HydrophobicContact CD2-CD2 3.76Å; L50-L52 HydrophobicContact CG-CD2 4.43Å
51L94.3Very high84.9Confident30 Ų3044.8 Ų44.816%0.15722%0.215CC..EExtended strand (participates in β ladder)trans-88.5122.6171176.268.3000109.4R10 S11 L12 R31 V33R10-L51 HydrophobicContact CB-CD1 3.8Å; R10-L51 HydrophobicContact CG-CD1 4.25Å; S11-L51 WeakPolarHBondContact O-CA 3.18Å; L12-L51 HydrophobicContact CD2-CB 4.24Å; L12-L51 HydrophobicContact CD2-CD1 3.75Å; R31-L51 PolarHBondContact N-O 3.46Å; R31-L51 WeakPolarHBondContact O-CB 3.39Å; R31-L51 PolarHBondContact O-N 2.95Å; V33-L51 HydrophobicContact CG2-CB 3.57Å; V33-L51 HydrophobicContact CG2-CD2 4.14Å; V33-L51 HydrophobicContact CG2-CG 4.5Å
52L97.2Very high86.7Confident6 Ų636.1 Ų36.13%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-91.4148.3173.2-59176.3000110.7V4 S11 V13 L22 V28 L50 E56 A57 L60V4-L52 HydrophobicContact CG1-CD1 4.1Å; V4-L52 HydrophobicContact CG2-CD1 4.05Å; S11-L52 PolarHBondContact O-N 3.47Å; V13-L52 HydrophobicContact CG2-CD1 3.91Å; V13-L52 HydrophobicContact CG2-CG 4.2Å; L22-L52 HydrophobicContact CD1-CD1 4.39Å; L22-L52 HydrophobicContact CD1-CD2 4.25Å; V28-L52 HydrophobicContact CG1-CD2 3.76Å; L50-L52 HydrophobicContact CD2-CD2 3.76Å; L50-L52 HydrophobicContact CG-CD2 4.43Å; L52-E56 VanDerWaalsContact CA-OE2 3.27Å; L52-E56 WeakPolarHBondContact CA-OE2 3.34Å; L52-E56 HydrophobicContact CB-CB 4.05Å; L52-E56 HydrophobicContact CD2-CB 4.33Å; L52-A57 HydrophobicContact CB-CB 4.32Å; L52-A57 HydrophobicContact CD1-CB 4.35Å; L52-L60 HydrophobicContact CD1-CD1 3.82Å
53L97.6Very high88.4Confident31 Ų3135.2 Ų35.216%0.16218%0.182CC..PPolyproline II helixtrans-63154.9162.1-60.5177.4000110.3E55 E56 A57 Y229 A241 F249L53-E55 PolarHBondContact O-N 2.89Å; L53-E56 HydrophobicContact CB-CB 4.15Å; L53-E56 HydrophobicContact CB-CG 4.04Å; L53-E56 HydrophobicContact CG-CG 4.44Å; L53-E56 PolarHBondContact N-OE2 2.92Å; L53-E56 WeakPolarHBondContact O-CB 3.3Å; L53-E56 PolarHBondContact O-N 3.4Å; L53-A57 WeakPolarHBondContact O-CB 3.46Å; L53-A57 PolarHBondContact O-N 3.31Å; L53-Y229 HydrophobicContact CD1-CE2 4.49Å; L53-A241 HydrophobicContact CD2-CB 4Å; L53-F249 HydrophobicContact CD1-CD1 4.28Å; L53-F249 HydrophobicContact CD1-CE1 4.13Å
54P97.6Very high90.1Very high27 Ų2734.4 Ų34.418%0.17519%0.188CC..Hα-helixtrans-54.4-40.7170.6-26.636.5000112.2A57 R58 W214 H222P54-A57 PolarHBondContact O-N 2.92Å; P54-R58 WeakPolarHBondContact O-CB 3.17Å; P54-R58 PolarHBondContact O-N 3.33Å; P54-W214 WeakPolarHBondContact O-CH2 3.32Å; P54-H222 WeakPolarHBondContact CB-NE2 3.44Å
55E98.3Very high91.8Very high0 Ų031.5 Ų31.50%017%0.17CC..Hα-helixtrans-67.6-42-179.8-60.177.7-165.400111.9L53 R58 L59 H222 R225 Y226 Y229 F249L53-E55 PolarHBondContact O-N 2.89Å; E55-R58 PolarHBondContact O-N 3.02Å; E55-L59 WeakPolarHBondContact O-CB 3.22Å; E55-L59 PolarHBondContact O-N 3.34Å; E55-H222 IonicContact OE1-CD2 3.61Å; E55-R225 HydrophobicContact CG-CB 4.3Å; E55-R225 IonicContact OE1-CZ 3.67Å; E55-R225 VanDerWaalsContact OE1-CZ 3.22Å; E55-R225 IonicContact OE1-NE 2.68Å; E55-R225 IonicContact OE1-NH1 3.63Å; E55-R225 PolarHBondContact OE1-NH1 3.08Å; E55-R225 IonicContact OE1-NH2 3.76Å; E55-R225 IonicContact OE2-NH1 3.68Å; E55-R225 IonicContact OE2-NH2 3.94Å; E55-Y226 HydrophobicContact CB-CD2 4.17Å; E55-Y229 HydrophobicContact CB-CD1 3.99Å; E55-Y229 HydrophobicContact CB-CD2 3.76Å; E55-Y229 HydrophobicContact CB-CE2 4.38Å; E55-Y229 HydrophobicContact CB-CG 3.57Å; E55-Y229 HydrophobicContact CG-CG 4.41Å; E55-F249 HydrophobicContact CG-CZ 4.04Å
56E98.3Very high93.3Very high3 Ų323.9 Ų23.91%0.01414%0.141CC..Hα-helixtrans-58.3-50.1172.7-78.8175.9147.400111.3V28 G30 L52 L53 R58 L59 L60 Y229V28-E56 HydrophobicContact CG1-CB 3.99Å; V28-E56 HydrophobicContact CG1-CG 3.75Å; G30-E56 PolarHBondContact N-OE1 2.9Å; L52-E56 VanDerWaalsContact CA-OE2 3.27Å; L52-E56 WeakPolarHBondContact CA-OE2 3.34Å; L52-E56 HydrophobicContact CB-CB 4.05Å; L52-E56 HydrophobicContact CD2-CB 4.33Å; L53-E56 HydrophobicContact CB-CB 4.15Å; L53-E56 HydrophobicContact CB-CG 4.04Å; L53-E56 HydrophobicContact CG-CG 4.44Å; L53-E56 PolarHBondContact N-OE2 2.92Å; L53-E56 WeakPolarHBondContact O-CB 3.3Å; L53-E56 PolarHBondContact O-N 3.4Å; E56-R58 PolarHBondContact O-N 2.96Å; E56-L59 PolarHBondContact O-N 3.13Å; E56-L60 WeakPolarHBondContact O-CB 3.31Å; E56-L60 VanDerWaalsContact O-CG 3.22Å; E56-L60 WeakPolarHBondContact O-CG 3.15Å; E56-L60 PolarHBondContact O-N 3.02Å; E56-Y229 HydrophobicContact CG-CE1 4.48Å; E56-Y229 HydrophobicContact CG-CE2 3.91Å; E56-Y229 WeakPolarHBondContact CG-OH 3.29Å
57A98Very high94.7Very high0 Ų021.8 Ų21.80%013%0.132CC..Hα-helixtrans-65.7-38.8-177.600000112.2S11 L52 L53 P54 A61 L68 W214S11-A57 VanDerWaalsContact OG-CB 3.24Å; S11-A57 WeakPolarHBondContact OG-CB 3.27Å; L52-A57 HydrophobicContact CB-CB 4.32Å; L52-A57 HydrophobicContact CD1-CB 4.35Å; L53-A57 WeakPolarHBondContact O-CB 3.46Å; L53-A57 PolarHBondContact O-N 3.31Å; P54-A57 PolarHBondContact O-N 2.92Å; A57-A61 WeakPolarHBondContact O-CB 3.41Å; A57-A61 PolarHBondContact O-N 3.37Å; A57-A61 VanDerWaalsContact O-N 3.17Å; A57-L68 HydrophobicContact CB-CD2 4.42Å; A57-W214 HydrophobicContact CB-CH2 3.99Å; A57-W214 HydrophobicContact CB-CZ3 3.99Å
58R97.8Very high95.7Very high27 Ų2721.6 Ų21.610%0.10213%0.13CC..Hα-helixtrans-64.1-50.4174.3178.9176.1168.3177.23.9111.2P54 E55 E56 L60 A61 E62 W207 W214 E223 Y226P54-R58 WeakPolarHBondContact O-CB 3.17Å; P54-R58 PolarHBondContact O-N 3.33Å; E55-R58 PolarHBondContact O-N 3.02Å; E56-R58 PolarHBondContact O-N 2.96Å; R58-L60 VanDerWaalsContact C-N 3.31Å; R58-L60 PolarHBondContact O-N 3.05Å; R58-A61 PolarHBondContact O-N 3.45Å; R58-A61 VanDerWaalsContact O-N 3.12Å; R58-E62 IonicContact NE-OE2 3.22Å; R58-E62 WeakPolarHBondContact O-CB 3.49Å; R58-E62 PolarHBondContact O-N 3.03Å; R58-W207 HydrophobicContact CG-CE3 4.11Å; R58-W207 HydrophobicContact CG-CZ3 4.34Å; R58-W214 HydrophobicContact CB-CH2 4.21Å; R58-W214 HydrophobicContact CB-CZ2 4.03Å; R58-E223 IonicContact CZ-OE1 3.6Å; R58-E223 IonicContact CZ-OE2 3.67Å; R58-E223 VanDerWaalsContact CZ-OE2 3.24Å; R58-E223 IonicContact NH1-OE1 2.81Å; R58-E223 PolarHBondContact NH1-OE1 3.44Å; R58-E223 IonicContact NH1-OE2 2.82Å; R58-E223 PolarHBondContact NH1-OE2 2.88Å; R58-E223 IonicContact NH2-OE1 3.29Å; R58-E223 IonicContact NH2-OE2 3.96Å; R58-E223 PolarHBondContact NH2-OE2 2.89Å; R58-Y226 HydrophobicContact CB-CD2 4.13Å; R58-Y226 HydrophobicContact CB-CE2 3.86Å; R58-Y226 HydrophobicContact CG-CD2 4.07Å; R58-Y226 HydrophobicContact CG-CE1 4.25Å; R58-Y226 HydrophobicContact CG-CE2 3.65Å; R58-Y226 VanDerWaalsContact CZ-CE1 3.41Å; R58-Y226 VanDerWaalsContact NE-CD1 3.27Å
59L98.3Very high96.1Very high2 Ų220.3 Ų20.31%0.0112%0.124CC..Hα-helixtrans-53.5-52.3-179.7174.669.8000110.4E55 E56 A61 E62 I63 Y226 Y229 R230 W233E55-L59 WeakPolarHBondContact O-CB 3.22Å; E55-L59 PolarHBondContact O-N 3.34Å; E56-L59 PolarHBondContact O-N 3.13Å; L59-A61 VanDerWaalsContact C-N 3.26Å; L59-A61 PolarHBondContact O-N 2.86Å; L59-E62 PolarHBondContact O-N 3.34Å; L59-E62 VanDerWaalsContact O-N 3.13Å; L59-I63 HydrophobicContact CD1-CG2 4.14Å; L59-I63 WeakPolarHBondContact O-CG1 3.39Å; L59-I63 PolarHBondContact O-N 3.24Å; L59-Y226 HydrophobicContact CB-CE2 4.01Å; L59-Y229 HydrophobicContact CB-CE1 4.41Å; L59-Y229 HydrophobicContact CD2-CD1 4.5Å; L59-Y229 HydrophobicContact CD2-CE1 3.78Å; L59-R230 HydrophobicContact CD1-CG 4.45Å; L59-W233 HydrophobicContact CD1-CD2 4.39Å; L59-W233 HydrophobicContact CD1-CE3 3.91Å; L59-W233 HydrophobicContact CD1-CZ3 4.04Å; L59-W233 HydrophobicContact CD2-CB 4.35Å; L59-W233 HydrophobicContact CD2-CD2 3.4Å; L59-W233 VanDerWaalsContact CD2-CD2 3.4Å; L59-W233 HydrophobicContact CD2-CE3 3.8Å; L59-W233 HydrophobicContact CD2-CG 3.62Å; L59-W233 HydrophobicContact CD2-CH2 4.49Å; L59-W233 HydrophobicContact CD2-CZ2 4.15Å; L59-W233 HydrophobicContact CD2-CZ3 4.33Å; L59-W233 HydrophobicContact CG-CD2 4.47Å; L59-W233 HydrophobicContact CG-CE3 4.45Å
60L97.9Very high96.3Very high0 Ų020.8 Ų20.80%013%0.127CC..Hα-helixtrans-60.2-35.5-178.5-73.5175.6000113L22 L26 V28 L52 E56 R58 I63 A65 V66L22-L60 HydrophobicContact CD1-CD1 4.04Å; L22-L60 HydrophobicContact CD2-CD1 3.7Å; L22-L60 HydrophobicContact CD2-CD2 3.8Å; L22-L60 HydrophobicContact CD2-CG 4.4Å; L22-L60 HydrophobicContact CG-CD1 4.44Å; L26-L60 HydrophobicContact CB-CD2 4.09Å; L26-L60 HydrophobicContact CD1-CD2 3.46Å; L26-L60 VanDerWaalsContact CD1-CD2 3.46Å; L26-L60 HydrophobicContact CG-CD2 4.39Å; V28-L60 HydrophobicContact CB-CD1 4.45Å; V28-L60 HydrophobicContact CG1-CD1 4.08Å; V28-L60 HydrophobicContact CG2-CD1 4.38Å; V28-L60 HydrophobicContact CG2-CD2 4.03Å; V28-L60 HydrophobicContact CG2-CG 4.19Å; L52-L60 HydrophobicContact CD1-CD1 3.82Å; E56-L60 WeakPolarHBondContact O-CB 3.31Å; E56-L60 VanDerWaalsContact O-CG 3.22Å; E56-L60 WeakPolarHBondContact O-CG 3.15Å; E56-L60 PolarHBondContact O-N 3.02Å; R58-L60 VanDerWaalsContact C-N 3.31Å; R58-L60 PolarHBondContact O-N 3.05Å; L60-I63 HydrophobicContact CD2-CD1 4.43Å; L60-A65 HydrophobicContact CD2-CB 4.37Å; L60-A65 PolarHBondContact O-N 3.01Å; L60-V66 HydrophobicContact CB-CB 4.36Å; L60-V66 HydrophobicContact CB-CG1 3.82Å; L60-V66 HydrophobicContact CB-CG2 3.59Å; L60-V66 HydrophobicContact CD1-CG1 4.22Å; L60-V66 HydrophobicContact CD2-CG1 4.41Å; L60-V66 HydrophobicContact CG-CG1 4.39Å; L60-V66 PolarHBondContact O-N 2.86Å; L60-V66 VanDerWaalsContact O-N 3.17Å
61A97.3Very high95.9Very high14 Ų1421.6 Ų21.612%0.11613%0.134CC..Hα-helixtrans-77.3-34.9176.700000112.2A57 R58 L59 G64 V66 L68 W207A57-A61 WeakPolarHBondContact O-CB 3.41Å; A57-A61 PolarHBondContact O-N 3.37Å; A57-A61 VanDerWaalsContact O-N 3.17Å; R58-A61 PolarHBondContact O-N 3.45Å; R58-A61 VanDerWaalsContact O-N 3.12Å; L59-A61 VanDerWaalsContact C-N 3.26Å; L59-A61 PolarHBondContact O-N 2.86Å; A61-G64 PolarHBondContact O-N 2.9Å; A61-V66 HydrophobicContact CB-CG2 4.34Å; A61-L68 HydrophobicContact CB-CD1 4.22Å; A61-L68 HydrophobicContact CB-CD2 4.34Å; A61-L68 HydrophobicContact CB-CG 3.93Å; A61-W207 VanDerWaalsContact CB-CD1 3.46Å; A61-W207 HydrophobicContact CB-CG 4.26Å
62E97.3Very high95.2Very high63 Ų6323.8 Ų23.829%0.29415%0.15SC..Hα-helixtrans-67.6-43.6178.2-171176.2143.300111.6R58 L59 G64 W207 Y226 R230R58-E62 IonicContact NE-OE2 3.22Å; R58-E62 WeakPolarHBondContact O-CB 3.49Å; R58-E62 PolarHBondContact O-N 3.03Å; L59-E62 PolarHBondContact O-N 3.34Å; L59-E62 VanDerWaalsContact O-N 3.13Å; E62-G64 PolarHBondContact O-N 2.95Å; E62-W207 HydrophobicContact CB-CH2 4.39Å; E62-W207 HydrophobicContact CB-CZ2 3.95Å; E62-W207 HydrophobicContact CG-CH2 4.18Å; E62-W207 HydrophobicContact CG-CZ2 4.01Å; E62-Y226 VanDerWaalsContact CD-OH 3.24Å; E62-Y226 WeakPolarHBondContact OE2-CE1 3.37Å; E62-Y226 VanDerWaalsContact OE2-CZ 3.3Å; E62-Y226 PolarHBondContact OE2-OH 3.29Å; E62-R230 IonicContact OE1-CZ 3.07Å; E62-R230 IonicContact OE1-NH1 3.23Å; E62-R230 PolarHBondContact OE1-NH1 3.36Å
63I96.9Very high94.2Very high77 Ų7728.7 Ų28.740%0.39517%0.168SC..THydrogen-bonded Turntrans-75.80.417671.6178.7000113.4L26 L59 L60 A65 W233L26-I63 HydrophobicContact CD2-CD1 4.3Å; L59-I63 HydrophobicContact CD1-CG2 4.14Å; L59-I63 WeakPolarHBondContact O-CG1 3.39Å; L59-I63 PolarHBondContact O-N 3.24Å; L60-I63 HydrophobicContact CD2-CD1 4.43Å; I63-A65 VanDerWaalsContact C-N 3.26Å; I63-A65 HydrophobicContact CD1-CB 3.91Å; I63-A65 HydrophobicContact CG1-CB 3.77Å; I63-A65 PolarHBondContact O-N 2.99Å; I63-W233 HydrophobicContact CD1-CH2 4.46Å
64G96Very high92.9Very high43 Ų4331.3 Ų31.344%0.44319%0.187SC..THydrogen-bonded Turntrans71.911.9179.400000115.3A61 E62A61-G64 PolarHBondContact O-N 2.9Å; E62-G64 PolarHBondContact O-N 2.95Å
65A96.1Very high91.8Very high26 Ų2634 Ų3422%0.21520%0.2CC..SBendtrans-72.2-31.2179.700000112.6L2 L26 L60 I63L2-A65 PolarHBondContact N-O 3.26Å; L26-A65 HydrophobicContact CD1-CB 3.56Å; L26-A65 HydrophobicContact CD2-CB 4.42Å; L60-A65 HydrophobicContact CD2-CB 4.37Å; L60-A65 PolarHBondContact O-N 3.01Å; I63-A65 VanDerWaalsContact C-N 3.26Å; I63-A65 HydrophobicContact CD1-CB 3.91Å; I63-A65 HydrophobicContact CG1-CB 3.77Å; I63-A65 PolarHBondContact O-N 2.99Å
66V95.3Very high90.7Very high5 Ų539 Ų393%0.0323%0.232CC..EExtended strand (participates in β ladder)trans-132.4153.7-177.2-43.60000112.4L2 V4 L22 L60 A61 L68L2-V66 HydrophobicContact CB-CB 4.47Å; L2-V66 HydrophobicContact CB-CG1 4.02Å; L2-V66 CarbonylContact O-C 3.55Å; L2-V66 VanDerWaalsContact O-CA 3.27Å; L2-V66 WeakPolarHBondContact O-CA 3.44Å; V4-V66 HydrophobicContact CB-CG2 4.48Å; V4-V66 HydrophobicContact CG2-CB 3.87Å; V4-V66 HydrophobicContact CG2-CG1 4.13Å; V4-V66 HydrophobicContact CG2-CG2 3.75Å; L22-V66 HydrophobicContact CD2-CG1 3.97Å; L60-V66 HydrophobicContact CB-CB 4.36Å; L60-V66 HydrophobicContact CB-CG1 3.82Å; L60-V66 HydrophobicContact CB-CG2 3.59Å; L60-V66 HydrophobicContact CD1-CG1 4.22Å; L60-V66 HydrophobicContact CD2-CG1 4.41Å; L60-V66 HydrophobicContact CG-CG1 4.39Å; L60-V66 PolarHBondContact O-N 2.86Å; L60-V66 VanDerWaalsContact O-N 3.17Å; A61-V66 HydrophobicContact CB-CG2 4.34Å; V66-L68 HydrophobicContact CG2-CD2 4.06Å
67T94.4Very high89.5Confident43 Ų4349.9 Ų49.926%0.26427%0.273SS..EExtended strand (participates in β ladder)trans-104.5121.7166-52.20000108.9M1 L2 V4 V69M1-T67 PolarHBondContact SD-OG1 2.98Å; L2-T67 PolarHBondContact O-N 3.23Å; V4-T67 PolarHBondContact N-O 2.86Å; T67-V69 HydrophobicContact CG2-CG1 4.09Å
68L95.4Very high88.3Confident3 Ų353.3 Ų53.32%0.01630%0.297CS..EExtended strand (participates in β ladder)trans-74134.3168.9-55.4-169.5000108.7V4 V6 A57 A61 V66 L205 W207 W214V4-L68 HydrophobicContact CB-CD2 3.68Å; V4-L68 HydrophobicContact CG1-CD2 3.82Å; V4-L68 HydrophobicContact CG2-CD2 4.32Å; V4-L68 CarbonylContact O-C 3.5Å; V4-L68 WeakPolarHBondContact O-CA 3.21Å; V6-L68 HydrophobicContact CG2-CB 3.94Å; V6-L68 HydrophobicContact CG2-CD1 4.26Å; V6-L68 HydrophobicContact CG2-CD2 4.23Å; V6-L68 HydrophobicContact CG2-CG 4.37Å; A57-L68 HydrophobicContact CB-CD2 4.42Å; A61-L68 HydrophobicContact CB-CD1 4.22Å; A61-L68 HydrophobicContact CB-CD2 4.34Å; A61-L68 HydrophobicContact CB-CG 3.93Å; V66-L68 HydrophobicContact CG2-CD2 4.06Å; L68-L205 HydrophobicContact CB-CB 4.13Å; L68-L205 HydrophobicContact CB-CD2 4.07Å; L68-L205 HydrophobicContact CD1-CD2 3.98Å; L68-L205 PolarHBondContact O-N 2.89Å; L68-W207 HydrophobicContact CD1-CB 3.89Å; L68-W214 HydrophobicContact CD1-CE3 4.29Å; L68-W214 HydrophobicContact CD1-CH2 4.42Å; L68-W214 HydrophobicContact CD1-CZ3 4.15Å
69V93.9Very high87.4Confident13 Ų1355.8 Ų55.88%0.07931%0.309CS..EExtended strand (participates in β ladder)trans-132.8143.8177.3-57.90000110.7V3 V4 E5 V6 T67 A202 K203V3-V69 HydrophobicContact CG1-CB 4.38Å; V3-V69 HydrophobicContact CG1-CG1 3.98Å; V3-V69 HydrophobicContact CG1-CG2 3.45Å; V3-V69 VanDerWaalsContact CG1-CG2 3.45Å; V4-V69 PolarHBondContact O-N 3.46Å; E5-V69 CarbonylContact C-O 3.03Å; E5-V69 WeakPolarHBondContact CA-O 3.1Å; E5-V69 HydrophobicContact CB-CG2 4.48Å; V6-V69 PolarHBondContact N-O 3.48Å; T67-V69 HydrophobicContact CG2-CG1 4.09Å; V69-A202 HydrophobicContact CB-CB 3.94Å; V69-A202 HydrophobicContact CG2-CB 3.91Å; V69-K203 CarbonylContact C-O 3.51Å; V69-K203 WeakPolarHBondContact CA-O 3.37Å; V69-K203 WeakPolarHBondContact CB-O 3.31Å
70S91.9Very high86.7Confident23 Ų2358.2 Ų58.216%0.16134%0.335CS..EExtended strand (participates in β ladder)trans-113.3134.4169.31690000109.9A202 K203 D213S70-A202 WeakPolarHBondContact O-CA 3.44Å; S70-K203 PolarHBondContact N-O 2.8Å; S70-K203 PolarHBondContact O-N 3.4Å; S70-D213 PolarHBondContact OG-OD2 2.97Å
71A84.9Confident86.1Confident18 Ų1865.3 Ų65.315%0.14937%0.372CS..PPolyproline II helixtrans-91.5134173.800000110.3R73 P199A71-R73 PolarHBondContact O-N 2.93Å; A71-P199 HydrophobicContact CB-CB 3.86Å; A71-P199 HydrophobicContact CB-CG 4.16Å
72P78.9Confident85.2Confident75 Ų7567.1 Ų67.149%0.48739%0.387SS..PPolyproline II helixtrans-60.2133.8174.922.7-30.4000110K201P72-K201 WeakPolarHBondContact CD-O 3.24Å; P72-K201 HydrophobicContact CG-CB 3.76Å
73R75.7Confident84.7Confident110 Ų11068.5 Ų68.542%0.41540%0.396SS..PPolyproline II helixtrans-76.5128.8178.9-58.3179.7-160.4-155.3-0.9108.5N8 A71 D213N8-R73 PolarHBondContact OD1-NH1 2.93Å; N8-R73 PolarHBondContact OD1-NH2 2.87Å; A71-R73 PolarHBondContact O-N 2.93Å; R73-D213 IonicContact CZ-OD1 3.54Å; R73-D213 IonicContact NH2-OD1 2.94Å; R73-D213 PolarHBondContact NH2-OD1 3.1Å
74P71.4Confident84.3Confident85 Ų8567.2 Ų67.255%0.55240%0.397SS*.PPolyproline II helixtrans-58.3141.7169.9-14.826.9000109.2P76 H79P74-P76 WeakPolarHBondContact O-CD 3.26Å; P74-H79 PolarHBondContact O-CE1 2.88Å
75D74.8Confident83.9Confident84 Ų8468.2 Ų68.245%0.44940%0.397SS..PPolyproline II helixtrans-61.7125.5173.4177-3.8000108.6R77 S78 H79D75-R77 PolarHBondContact O-N 2.91Å; D75-R77 WeakPolarHBondContact OD1-CB 3.48Å; D75-R77 WeakPolarHBondContact OD1-CG 3.5Å; D75-R77 PolarHBondContact OD1-N 3.48Å; D75-S78 PolarHBondContact N-OG 3.36Å; D75-S78 WeakPolarHBondContact O-CA 3.37Å; D75-S78 WeakPolarHBondContact O-CB 3.35Å; D75-S78 PolarHBondContact O-N 3.43Å; D75-S78 PolarHBondContact O-OG 3.15Å; D75-H79 PolarHBondContact O-CE1 2.9Å; D75-H79 VanDerWaalsContact O-CE1 3.29Å; D75-H79 PolarHBondContact O-ND1 3.01Å
76P74.4Confident83.4Confident106 Ų10672.4 Ų72.469%0.68841%0.411SS*.G310 helixtrans-37.9-40.3169.6-34.138.7000114.1P74 S78 H79P74-P76 WeakPolarHBondContact O-CD 3.26Å; P76-S78 VanDerWaalsContact C-N 3.28Å; P76-S78 PolarHBondContact O-N 3.49Å; P76-H79 VanDerWaalsContact C-ND1 3.33Å; P76-H79 VanDerWaalsContact CA-CE1 3.44Å; P76-H79 WeakPolarHBondContact CA-CE1 3.4Å; P76-H79 WeakPolarHBondContact CA-ND1 3.46Å; P76-H79 WeakPolarHBondContact O-CB 3.45Å; P76-H79 PolarHBondContact O-N 2.96Å; P76-H79 PolarHBondContact O-ND1 3.29Å; P76-H79 VanDerWaalsContact O-ND1 3.07Å
77R72.5Confident83.1Confident231 Ų23178 Ų7887%0.87244%0.435SS*.G310 helixtrans-69.5-23.3-179.2-58.2174.4-178.4-1720.5113.8D75D75-R77 PolarHBondContact O-N 2.91Å; D75-R77 WeakPolarHBondContact OD1-CB 3.48Å; D75-R77 WeakPolarHBondContact OD1-CG 3.5Å; D75-R77 PolarHBondContact OD1-N 3.48Å
78S72.8Confident82.9Confident71 Ų7184.1 Ų84.150%0.49745%0.453SS..G310 helixtrans-86.7-1.3177.770.60000114.1D75 P76 G80D75-S78 PolarHBondContact N-OG 3.36Å; D75-S78 WeakPolarHBondContact O-CA 3.37Å; D75-S78 WeakPolarHBondContact O-CB 3.35Å; D75-S78 PolarHBondContact O-N 3.43Å; D75-S78 PolarHBondContact O-OG 3.15Å; P76-S78 VanDerWaalsContact C-N 3.28Å; P76-S78 PolarHBondContact O-N 3.49Å; S78-G80 VanDerWaalsContact C-N 3.28Å; S78-G80 PolarHBondContact O-N 3.47Å
79H80.1Confident82.6Confident79 Ų7990 Ų9037%0.36648%0.48SS..Hα-helixtrans-75.9-8.9-174.4-72.174.4000114.5P74 D75 P76 L81 A82 L83P74-H79 PolarHBondContact O-CE1 2.88Å; D75-H79 PolarHBondContact O-CE1 2.9Å; D75-H79 VanDerWaalsContact O-CE1 3.29Å; D75-H79 PolarHBondContact O-ND1 3.01Å; P76-H79 VanDerWaalsContact C-ND1 3.33Å; P76-H79 VanDerWaalsContact CA-CE1 3.44Å; P76-H79 WeakPolarHBondContact CA-CE1 3.4Å; P76-H79 WeakPolarHBondContact CA-ND1 3.46Å; P76-H79 WeakPolarHBondContact O-CB 3.45Å; P76-H79 PolarHBondContact O-N 2.96Å; P76-H79 PolarHBondContact O-ND1 3.29Å; P76-H79 VanDerWaalsContact O-ND1 3.07Å; H79-L81 VanDerWaalsContact C-N 3.33Å; H79-L81 PolarHBondContact O-N 2.99Å; H79-A82 PolarHBondContact O-N 3.29Å; H79-A82 VanDerWaalsContact O-N 3.12Å; H79-L83 WeakPolarHBondContact O-CB 3.46Å; H79-L83 PolarHBondContact O-N 3.43Å
80G83.8Confident82.3Confident53 Ų5393.1 Ų93.155%0.54649%0.494SS..Hα-helixtrans-55.2-46.1-176.900000113.2S78 L83 A84S78-G80 VanDerWaalsContact C-N 3.28Å; S78-G80 PolarHBondContact O-N 3.47Å; G80-L83 PolarHBondContact O-N 3Å; G80-A84 WeakPolarHBondContact O-CB 3.34Å; G80-A84 PolarHBondContact O-N 2.85Å
81L83.3Confident82.3Confident149 Ų14994.9 Ų94.978%0.7850%0.5SS*.Hα-helixtrans-68.8-38.6177-67.7173.3000112.4H79 A84 S85H79-L81 VanDerWaalsContact C-N 3.33Å; H79-L81 PolarHBondContact O-N 2.99Å; L81-A84 PolarHBondContact O-N 2.92Å; L81-S85 WeakPolarHBondContact O-CB 3.4Å; L81-S85 PolarHBondContact O-N 3.25Å; L81-S85 PolarHBondContact O-OG 3.07Å
82A80.4Confident82.7Confident52 Ų5298.9 Ų98.943%0.4352%0.515SS..Hα-helixtrans-65.9-39.4176.600000111.7H79 S85 F86H79-A82 PolarHBondContact O-N 3.29Å; H79-A82 VanDerWaalsContact O-N 3.12Å; A82-S85 WeakPolarHBondContact CA-OG 3.36Å; A82-S85 PolarHBondContact O-OG 3.46Å; A82-F86 VanDerWaalsContact O-CB 3.27Å; A82-F86 WeakPolarHBondContact O-CB 3.27Å; A82-F86 PolarHBondContact O-N 2.95Å
83L86.3Confident83.3Confident92 Ų9297 Ų9748%0.48250%0.504SS..Hα-helixtrans-68.5-42.5176.5-176.366.7000111.3H79 G80 F86 K87H79-L83 WeakPolarHBondContact O-CB 3.46Å; H79-L83 PolarHBondContact O-N 3.43Å; G80-L83 PolarHBondContact O-N 3Å; L83-F86 PolarHBondContact O-N 3.19Å; L83-K87 HydrophobicContact CG-CD 4.43Å; L83-K87 WeakPolarHBondContact O-CB 3.36Å; L83-K87 WeakPolarHBondContact O-CG 3.5Å; L83-K87 PolarHBondContact O-N 2.96Å
84A88.6Confident84Confident50 Ų5093.1 Ų93.141%0.41349%0.49SS..Hα-helixtrans-64-44177.400000111.8G80 L81 K87 R88G80-A84 WeakPolarHBondContact O-CB 3.34Å; G80-A84 PolarHBondContact O-N 2.85Å; L81-A84 PolarHBondContact O-N 2.92Å; A84-K87 PolarHBondContact O-N 3.22Å; A84-R88 WeakPolarHBondContact O-CB 3.3Å; A84-R88 PolarHBondContact O-N 2.92Å
85S86.9Confident85Confident65 Ų6594.6 Ų94.646%0.45549%0.49SS..Hα-helixtrans-64.3-42.7174.850.60000112.2L81 A82 R88 Q89L81-S85 WeakPolarHBondContact O-CB 3.4Å; L81-S85 PolarHBondContact O-N 3.25Å; L81-S85 PolarHBondContact O-OG 3.07Å; A82-S85 WeakPolarHBondContact CA-OG 3.36Å; A82-S85 PolarHBondContact O-OG 3.46Å; S85-R88 PolarHBondContact O-N 3.45Å; S85-Q89 WeakPolarHBondContact O-CB 3.45Å; S85-Q89 PolarHBondContact O-N 3.45Å
86F85.4Confident85.9Confident113 Ų11396.3 Ų96.350%0.49650%0.495SS..Hα-helixtrans-59.8-47174.4176.5-101.5000112.5A82 L83 R88 Q89 Q90A82-F86 VanDerWaalsContact O-CB 3.27Å; A82-F86 WeakPolarHBondContact O-CB 3.27Å; A82-F86 PolarHBondContact O-N 2.95Å; L83-F86 PolarHBondContact O-N 3.19Å; F86-R88 VanDerWaalsContact C-N 3.32Å; F86-R88 PolarHBondContact O-N 2.86Å; F86-Q89 PolarHBondContact O-N 3.2Å; F86-Q90 WeakPolarHBondContact O-CB 3.4Å; F86-Q90 PolarHBondContact O-N 3.2Å
87K89.4Confident86.7Confident124 Ų12492.9 Ų92.954%0.53947%0.47SS..Hα-helixtrans-60.8-41.5176.6-76179177-1760112L83 A84 Q90 E91L83-K87 HydrophobicContact CG-CD 4.43Å; L83-K87 WeakPolarHBondContact O-CB 3.36Å; L83-K87 WeakPolarHBondContact O-CG 3.5Å; L83-K87 PolarHBondContact O-N 2.96Å; A84-K87 PolarHBondContact O-N 3.22Å; K87-Q90 PolarHBondContact O-N 3.46Å; K87-E91 PolarHBondContact O-N 3.22Å
88R91.1Very high87.6Confident170 Ų17083.5 Ų83.564%0.64244%0.439SS*.Hα-helixtrans-62-45.6175.8-172.9-174.8-62165.5-0.4111.3A84 S85 F86 Q90 E91 Q92A84-R88 WeakPolarHBondContact O-CB 3.3Å; A84-R88 PolarHBondContact O-N 2.92Å; S85-R88 PolarHBondContact O-N 3.45Å; F86-R88 VanDerWaalsContact C-N 3.32Å; F86-R88 PolarHBondContact O-N 2.86Å; R88-Q90 VanDerWaalsContact C-N 3.33Å; R88-Q90 PolarHBondContact O-N 2.87Å; R88-E91 PolarHBondContact O-N 3.35Å; R88-Q92 WeakPolarHBondContact O-CG 3.32Å; R88-Q92 PolarHBondContact O-N 3.15Å
89Q88.3Confident88.6Confident127 Ų12782.8 Ų82.859%0.59344%0.435SS*.Hα-helixtrans-63.3-39.6177.4-172.5-178.98.800111.8S85 F86 E91 Q92 S93S85-Q89 WeakPolarHBondContact O-CB 3.45Å; S85-Q89 PolarHBondContact O-N 3.45Å; F86-Q89 PolarHBondContact O-N 3.2Å; Q89-E91 VanDerWaalsContact C-N 3.35Å; Q89-Q92 PolarHBondContact O-N 2.98Å; Q89-S93 WeakPolarHBondContact O-CB 3.36Å; Q89-S93 PolarHBondContact O-N 3.39Å
90Q88.3Confident89.1Confident78 Ų7884.1 Ų84.136%0.36444%0.444SS..Hα-helixtrans-62.6-42.6176-170.4-176.54500111.5F86 K87 R88 S93 F94 L188F86-Q90 WeakPolarHBondContact O-CB 3.4Å; F86-Q90 PolarHBondContact O-N 3.2Å; K87-Q90 PolarHBondContact O-N 3.46Å; R88-Q90 VanDerWaalsContact C-N 3.33Å; R88-Q90 PolarHBondContact O-N 2.87Å; Q90-S93 PolarHBondContact O-N 3.45Å; Q90-F94 WeakPolarHBondContact O-CB 3.17Å; Q90-F94 PolarHBondContact O-N 3.01Å; Q90-L188 HydrophobicContact CG-CD2 3.58Å
91E92Very high89.4Confident61 Ų6182.6 Ų82.629%0.28543%0.426SS..Hα-helixtrans-66.7-43.1177.6-169.761-154.900111.9K87 R88 Q89 S93 F94 Q95 R185K87-E91 PolarHBondContact O-N 3.22Å; R88-E91 PolarHBondContact O-N 3.35Å; Q89-E91 VanDerWaalsContact C-N 3.35Å; E91-S93 PolarHBondContact O-N 2.71Å; E91-F94 PolarHBondContact O-N 2.99Å; E91-Q95 WeakPolarHBondContact O-CG 3.27Å; E91-Q95 PolarHBondContact O-N 2.88Å; E91-R185 VanDerWaalsContact CD-NH2 3.34Å; E91-R185 IonicContact OE1-NH2 3.67Å; E91-R185 PolarHBondContact OE1-NH2 2.93Å; E91-R185 VanDerWaalsContact OE1-NH2 3.07Å; E91-R185 IonicContact OE2-CZ 2.69Å; E91-R185 VanDerWaalsContact OE2-CZ 3.29Å; E91-R185 IonicContact OE2-NH1 3.35Å; E91-R185 PolarHBondContact OE2-NH1 3.39Å; E91-R185 IonicContact OE2-NH2 3.38Å; E91-R185 PolarHBondContact OE2-NH2 2.96Å
92Q92Very high89.7Confident101 Ų10177.4 Ų77.447%0.47241%0.405SS..Hα-helixtrans-59-47.6174.2-74.7174.6-27.500111.4R88 Q89 F94 Q95 E96R88-Q92 WeakPolarHBondContact O-CG 3.32Å; R88-Q92 PolarHBondContact O-N 3.15Å; Q89-Q92 PolarHBondContact O-N 2.98Å; Q92-F94 VanDerWaalsContact C-N 3.29Å; Q92-F94 PolarHBondContact O-N 3.41Å; Q92-Q95 WeakPolarHBondContact O-CB 3.33Å; Q92-Q95 PolarHBondContact O-N 3.16Å; Q92-Q95 VanDerWaalsContact O-N 3.15Å; Q92-E96 WeakPolarHBondContact O-CG 3.25Å; Q92-E96 PolarHBondContact O-N 2.81Å
93S91.1Very high90.3Very high35 Ų3580.4 Ų80.425%0.24541%0.41CS..Hα-helixtrans-63.3-35.3177.8-167.30000112.5Q89 Q90 E91 Q97Q89-S93 WeakPolarHBondContact O-CB 3.36Å; Q89-S93 PolarHBondContact O-N 3.39Å; Q90-S93 PolarHBondContact O-N 3.45Å; E91-S93 PolarHBondContact O-N 2.71Å; S93-Q97 VanDerWaalsContact O-CB 3.31Å; S93-Q97 WeakPolarHBondContact O-CB 3.49Å; S93-Q97 WeakPolarHBondContact O-CG 3.2Å; S93-Q97 PolarHBondContact O-N 3.05Å; S93-Q97 PolarHBondContact OG-NE2 2.88Å
94F91.7Very high90.5Very high30 Ų3078.9 Ų78.913%0.13241%0.411CS..Hα-helixtrans-64.8-42.4173.7178.3-105000112.2Q90 E91 Q92 Q97 S98 L183 R185 L188Q90-F94 WeakPolarHBondContact O-CB 3.17Å; Q90-F94 PolarHBondContact O-N 3.01Å; E91-F94 PolarHBondContact O-N 2.99Å; Q92-F94 VanDerWaalsContact C-N 3.29Å; Q92-F94 PolarHBondContact O-N 3.41Å; F94-Q97 PolarHBondContact O-N 3.5Å; F94-S98 WeakPolarHBondContact O-CB 3.42Å; F94-S98 PolarHBondContact O-N 2.88Å; F94-L183 HydrophobicContact CE2-CD2 4.4Å; F94-L183 WeakPolarHBondContact CE2-O 3.32Å; F94-L183 VanDerWaalsContact CZ-O 3.32Å; F94-L183 WeakPolarHBondContact CZ-O 3.48Å; F94-R185 HydrophobicContact CD2-CG 4.27Å; F94-R185 HydrophobicContact CE1-CG 4.31Å; F94-R185 HydrophobicContact CE2-CB 4.38Å; F94-R185 HydrophobicContact CE2-CG 3.77Å; F94-R185 HydrophobicContact CZ-CG 3.79Å; F94-L188 HydrophobicContact CB-CD1 3.86Å; F94-L188 HydrophobicContact CB-CD2 4.45Å; F94-L188 HydrophobicContact CD2-CB 4.48Å; F94-L188 HydrophobicContact CD2-CD1 4.11Å
95Q92.6Very high90.4Very high115 Ų11581.1 Ų81.154%0.53741%0.408SS..Hα-helixtrans-62.7-47.9176.6-70173.13.900111.4E91 Q92 S98 S99E91-Q95 WeakPolarHBondContact O-CG 3.27Å; E91-Q95 PolarHBondContact O-N 2.88Å; Q92-Q95 WeakPolarHBondContact O-CB 3.33Å; Q92-Q95 PolarHBondContact O-N 3.16Å; Q92-Q95 VanDerWaalsContact O-N 3.15Å; Q95-S98 PolarHBondContact O-N 2.93Å; Q95-S99 PolarHBondContact O-N 3.43Å
96E92.5Very high90.6Very high121 Ų12181.2 Ų81.257%0.56540%0.402SS*.Hα-helixtrans-60.6-45.6176.5-70.7171.6-176.100112.2Q92 S98 S99 L100Q92-E96 WeakPolarHBondContact O-CG 3.25Å; Q92-E96 PolarHBondContact O-N 2.81Å; E96-S98 VanDerWaalsContact C-N 3.31Å; E96-S98 PolarHBondContact O-N 2.88Å; E96-S99 PolarHBondContact O-N 3.42Å; E96-S99 PolarHBondContact O-OG 2.82Å; E96-L100 WeakPolarHBondContact O-CG 3.46Å; E96-L100 PolarHBondContact O-N 2.81Å
97Q92Very high91Very high34 Ų3479.1 Ų79.116%0.15940%0.398CS..Hα-helixtrans-68.9-32.5178.3-72.3179.549.900112.2S93 F94 A101 L183 L189S93-Q97 VanDerWaalsContact O-CB 3.31Å; S93-Q97 WeakPolarHBondContact O-CB 3.49Å; S93-Q97 WeakPolarHBondContact O-CG 3.2Å; S93-Q97 PolarHBondContact O-N 3.05Å; S93-Q97 PolarHBondContact OG-NE2 2.88Å; F94-Q97 PolarHBondContact O-N 3.5Å; Q97-A101 WeakPolarHBondContact O-CB 3.06Å; Q97-A101 PolarHBondContact O-N 2.78Å; Q97-L183 HydrophobicContact CB-CD2 3.82Å; Q97-L189 PolarHBondContact NE2-O 3.34Å; Q97-L189 VanDerWaalsContact OE1-CB 3.22Å
98S91.5Very high91Very high33 Ų3381.4 Ų81.423%0.23140%0.404CS..Hα-helixtrans-67-40.4175.6-173.50000111.4F94 Q95 E96 A102F94-S98 WeakPolarHBondContact O-CB 3.42Å; F94-S98 PolarHBondContact O-N 2.88Å; Q95-S98 PolarHBondContact O-N 2.93Å; E96-S98 VanDerWaalsContact C-N 3.31Å; E96-S98 PolarHBondContact O-N 2.88Å; S98-A102 WeakPolarHBondContact O-CB 3.46Å; S98-A102 PolarHBondContact O-N 3.12Å
99S92.4Very high90.9Very high57 Ų5779.9 Ų79.940%0.39940%0.398SS..Hα-helixtrans-66-47.9175.465.10000111.1Q95 E96 A101 A102 E103Q95-S99 PolarHBondContact O-N 3.43Å; E96-S99 PolarHBondContact O-N 3.42Å; E96-S99 PolarHBondContact O-OG 2.82Å; S99-A101 VanDerWaalsContact C-N 3.3Å; S99-A101 PolarHBondContact O-N 2.91Å; S99-A102 WeakPolarHBondContact O-CB 3.48Å; S99-A102 PolarHBondContact O-N 3.46Å; S99-A102 VanDerWaalsContact O-N 3.11Å; S99-E103 WeakPolarHBondContact O-CG 3.44Å; S99-E103 PolarHBondContact O-N 3.31Å
100L92.1Very high91.1Very high106 Ų10679 Ų7956%0.55539%0.394SS*.Hα-helixtrans-61.1-37.4176.9-69.6172000112.6E96 A104E96-L100 WeakPolarHBondContact O-CG 3.46Å; E96-L100 PolarHBondContact O-N 2.81Å; L100-A104 VanDerWaalsContact O-CB 3.27Å; L100-A104 WeakPolarHBondContact O-CB 3.46Å; L100-A104 PolarHBondContact O-N 3.47Å
101A89.8Confident91.4Very high21 Ų2179.8 Ų79.817%0.17440%0.397CS..Hα-helixtrans-68.8-35.9176.200000112.1Q97 S99 R105 L183Q97-A101 WeakPolarHBondContact O-CB 3.06Å; Q97-A101 PolarHBondContact O-N 2.78Å; S99-A101 VanDerWaalsContact C-N 3.3Å; S99-A101 PolarHBondContact O-N 2.91Å; A101-R105 WeakPolarHBondContact O-CB 3.43Å; A101-R105 WeakPolarHBondContact O-CD 3.34Å; A101-R105 WeakPolarHBondContact O-CG 3.27Å; A101-R105 PolarHBondContact O-N 3.3Å; A101-R105 VanDerWaalsContact O-N 3.13Å; A101-L183 HydrophobicContact CB-CB 4.42Å; A101-L183 HydrophobicContact CB-CD1 4.17Å
102A90.3Very high91.4Very high41 Ų4181.1 Ų81.134%0.33941%0.406SS..Hα-helixtrans-66.2-47.2174.400000111S98 S99 R105 E106S98-A102 WeakPolarHBondContact O-CB 3.46Å; S98-A102 PolarHBondContact O-N 3.12Å; S99-A102 WeakPolarHBondContact O-CB 3.48Å; S99-A102 PolarHBondContact O-N 3.46Å; S99-A102 VanDerWaalsContact O-N 3.11Å; A102-R105 PolarHBondContact O-N 3.22Å; A102-E106 PolarHBondContact O-N 2.99Å
103E92.1Very high91.5Very high114 Ų11481.1 Ų81.153%0.53341%0.409SS..Hα-helixtrans-58.3-51175.2-71.5171.1-164.300111.6S99 R105 E106 T107S99-E103 WeakPolarHBondContact O-CG 3.44Å; S99-E103 PolarHBondContact O-N 3.31Å; E103-R105 VanDerWaalsContact C-N 3.28Å; E103-R105 PolarHBondContact O-N 2.65Å; E103-E106 WeakPolarHBondContact O-CB 3.38Å; E103-E106 PolarHBondContact O-N 3.25Å; E103-T107 PolarHBondContact O-N 3.15Å; E103-T107 PolarHBondContact O-OG1 3.4Å; E103-T107 VanDerWaalsContact O-OG1 3.07Å
104A90.1Very high91.6Very high60 Ų6085.4 Ų85.450%0.49643%0.425SS..Hα-helixtrans-61.7-34-179.400000113.2L100 R108L100-A104 VanDerWaalsContact O-CB 3.27Å; L100-A104 WeakPolarHBondContact O-CB 3.46Å; L100-A104 PolarHBondContact O-N 3.47Å; A104-R108 VanDerWaalsContact O-CB 3.3Å; A104-R108 WeakPolarHBondContact O-CB 3.4Å; A104-R108 PolarHBondContact O-N 3.14Å
105R88Confident91.6Very high97 Ų9790.3 Ų90.337%0.36645%0.446SS..Hα-helixtrans-69.8-39.6174-73.5169.7-164.7153.6-8.8111.5A101 A102 E103 R108 R109 T181A101-R105 WeakPolarHBondContact O-CB 3.43Å; A101-R105 WeakPolarHBondContact O-CD 3.34Å; A101-R105 WeakPolarHBondContact O-CG 3.27Å; A101-R105 PolarHBondContact O-N 3.3Å; A101-R105 VanDerWaalsContact O-N 3.13Å; A102-R105 PolarHBondContact O-N 3.22Å; E103-R105 VanDerWaalsContact C-N 3.28Å; E103-R105 PolarHBondContact O-N 2.65Å; R105-R108 PolarHBondContact O-N 2.86Å; R105-R109 WeakPolarHBondContact O-CB 3.45Å; R105-R109 PolarHBondContact O-N 3.3Å; R105-T181 PolarHBondContact NH1-O 3.03Å; R105-T181 PolarHBondContact NH2-O 2.88Å
106E90.3Very high91.7Very high67 Ų6789.1 Ų89.131%0.31344%0.442SS..Hα-helixtrans-63.5-48.4176.8-177.254.9-141.200111A102 E103 R108 R109 Q110A102-E106 PolarHBondContact O-N 2.99Å; E103-E106 WeakPolarHBondContact O-CB 3.38Å; E103-E106 PolarHBondContact O-N 3.25Å; E106-R108 VanDerWaalsContact C-N 3.35Å; E106-R108 PolarHBondContact O-N 3.46Å; E106-R109 WeakPolarHBondContact O-CB 3.33Å; E106-R109 PolarHBondContact O-N 3.42Å; E106-R109 VanDerWaalsContact O-N 3.14Å; E106-R109 IonicContact OE1-CZ 3.35Å; E106-R109 IonicContact OE1-NE 3.52Å; E106-R109 PolarHBondContact OE1-NE 3.23Å; E106-R109 IonicContact OE1-NH2 2.8Å; E106-R109 PolarHBondContact OE1-NH2 3.36Å; E106-R109 IonicContact OE2-CZ 3.76Å; E106-R109 IonicContact OE2-NE 3.54Å; E106-R109 PolarHBondContact OE2-NE 3.13Å; E106-R109 VanDerWaalsContact OE2-NE 3.11Å; E106-R109 IonicContact OE2-NH2 2.73Å; E106-R109 PolarHBondContact OE2-NH2 3Å; E106-Q110 WeakPolarHBondContact O-CG 3.3Å; E106-Q110 PolarHBondContact O-N 3.08Å; E106-Q110 PolarHBondContact OE1-NE2 3.32Å
107T92.8Very high91.7Very high70 Ų7086 Ų8643%0.42944%0.438SS..Hα-helixtrans-57.1-48.1174.9-47.80000111.1E103 R109 Q110 E111E103-T107 PolarHBondContact O-N 3.15Å; E103-T107 PolarHBondContact O-OG1 3.4Å; E103-T107 VanDerWaalsContact O-OG1 3.07Å; T107-R109 VanDerWaalsContact C-N 3.29Å; T107-R109 PolarHBondContact O-N 3.45Å; T107-Q110 PolarHBondContact O-N 2.9Å; T107-Q110 VanDerWaalsContact O-N 3.15Å; T107-E111 WeakPolarHBondContact O-CG 3.43Å; T107-E111 PolarHBondContact O-N 2.96Å
108R90.4Very high91.7Very high172 Ų17290 Ų9065%0.64946%0.456SS*.Hα-helixtrans-62.2-36178.3-172.7175.6-176.2-173.10.5112.5A104 R105 E106 L112A104-R108 VanDerWaalsContact O-CB 3.3Å; A104-R108 WeakPolarHBondContact O-CB 3.4Å; A104-R108 PolarHBondContact O-N 3.14Å; R105-R108 PolarHBondContact O-N 2.86Å; E106-R108 VanDerWaalsContact C-N 3.35Å; E106-R108 PolarHBondContact O-N 3.46Å; R108-L112 HydrophobicContact CG-CD1 4.11Å; R108-L112 WeakPolarHBondContact O-CB 3.12Å; R108-L112 WeakPolarHBondContact O-CD1 3.4Å; R108-L112 WeakPolarHBondContact O-CG 3.03Å; R108-L112 PolarHBondContact O-N 3.17Å
109R89.6Confident91.7Very high138 Ų13890.4 Ų90.452%0.52147%0.466SS..Hα-helixtrans-64.6-44.5175.3-177-178.169.8144.5-2.5110.7R105 E106 T107 L112 L113R105-R109 WeakPolarHBondContact O-CB 3.45Å; R105-R109 PolarHBondContact O-N 3.3Å; E106-R109 WeakPolarHBondContact O-CB 3.33Å; E106-R109 PolarHBondContact O-N 3.42Å; E106-R109 VanDerWaalsContact O-N 3.14Å; E106-R109 IonicContact OE1-CZ 3.35Å; E106-R109 IonicContact OE1-NE 3.52Å; E106-R109 PolarHBondContact OE1-NE 3.23Å; E106-R109 IonicContact OE1-NH2 2.8Å; E106-R109 PolarHBondContact OE1-NH2 3.36Å; E106-R109 IonicContact OE2-CZ 3.76Å; E106-R109 IonicContact OE2-NE 3.54Å; E106-R109 PolarHBondContact OE2-NE 3.13Å; E106-R109 VanDerWaalsContact OE2-NE 3.11Å; E106-R109 IonicContact OE2-NH2 2.73Å; E106-R109 PolarHBondContact OE2-NH2 3Å; T107-R109 VanDerWaalsContact C-N 3.29Å; T107-R109 PolarHBondContact O-N 3.45Å; R109-L112 PolarHBondContact O-N 3.17Å; R109-L113 HydrophobicContact CG-CD1 4.26Å; R109-L113 VanDerWaalsContact O-CG 3.32Å; R109-L113 WeakPolarHBondContact O-CG 3.4Å; R109-L113 PolarHBondContact O-N 3.29Å
110Q92.5Very high91.6Very high108 Ų10894 Ų9451%0.50548%0.476SS..Hα-helixtrans-62.5-47177.3-68.8173.67.600111.5E106 T107 L112 L113 E114E106-Q110 WeakPolarHBondContact O-CG 3.3Å; E106-Q110 PolarHBondContact O-N 3.08Å; E106-Q110 PolarHBondContact OE1-NE2 3.32Å; T107-Q110 PolarHBondContact O-N 2.9Å; T107-Q110 VanDerWaalsContact O-N 3.15Å; Q110-L112 VanDerWaalsContact C-N 3.3Å; Q110-L112 PolarHBondContact O-N 2.89Å; Q110-L113 PolarHBondContact O-N 3.22Å; Q110-L113 VanDerWaalsContact O-N 3.15Å; Q110-E114 PolarHBondContact O-N 3.02Å
111E93.4Very high91.6Very high94 Ų9491.3 Ų91.344%0.43947%0.469SS..Hα-helixtrans-59-39.1175.1-70.4174-172.500112.8T107 K115T107-E111 WeakPolarHBondContact O-CG 3.43Å; T107-E111 PolarHBondContact O-N 2.96Å; E111-K115 WeakPolarHBondContact O-CG 3.31Å; E111-K115 PolarHBondContact O-N 2.83Å; E111-K115 VanDerWaalsContact O-N 3.08Å
112L92.3Very high91.6Very high90 Ų9093 Ų9347%0.47148%0.483SS..Hα-helixtrans-67.2-42176.3-83160.2000111.5R108 R109 Q110 E114 K115 I116R108-L112 HydrophobicContact CG-CD1 4.11Å; R108-L112 WeakPolarHBondContact O-CB 3.12Å; R108-L112 WeakPolarHBondContact O-CD1 3.4Å; R108-L112 WeakPolarHBondContact O-CG 3.03Å; R108-L112 PolarHBondContact O-N 3.17Å; R109-L112 PolarHBondContact O-N 3.17Å; Q110-L112 VanDerWaalsContact C-N 3.3Å; Q110-L112 PolarHBondContact O-N 2.89Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-K115 PolarHBondContact O-N 2.88Å; L112-I116 WeakPolarHBondContact O-CB 2.99Å; L112-I116 WeakPolarHBondContact O-CD1 3.43Å; L112-I116 WeakPolarHBondContact O-CG1 3.42Å; L112-I116 PolarHBondContact O-N 2.86Å
113L93.3Very high91.5Very high101 Ų10197.9 Ų97.953%0.52950%0.497SS..Hα-helixtrans-63.3-41.9177-73.1170.4000111.5R109 Q110 I116 A117R109-L113 HydrophobicContact CG-CD1 4.26Å; R109-L113 VanDerWaalsContact O-CG 3.32Å; R109-L113 WeakPolarHBondContact O-CG 3.4Å; R109-L113 PolarHBondContact O-N 3.29Å; Q110-L113 PolarHBondContact O-N 3.22Å; Q110-L113 VanDerWaalsContact O-N 3.15Å; L113-I116 PolarHBondContact O-N 2.74Å; L113-A117 WeakPolarHBondContact O-CB 3.43Å; L113-A117 PolarHBondContact O-N 3.02Å
114E93.9Very high91.3Very high125 Ų12598.8 Ų98.858%0.58450%0.499SS*.Hα-helixtrans-59.9-49.4175-171.9172.6-158.400111.1Q110 L112 I116 A117 E118Q110-E114 PolarHBondContact O-N 3.02Å; L112-E114 VanDerWaalsContact C-N 3.35Å; E114-I116 VanDerWaalsContact C-N 3.32Å; E114-I116 PolarHBondContact O-N 3.12Å; E114-A117 WeakPolarHBondContact O-CB 3.44Å; E114-A117 PolarHBondContact O-N 2.83Å; E114-A117 VanDerWaalsContact O-N 3.13Å; E114-E118 WeakPolarHBondContact O-CG 3.07Å; E114-E118 PolarHBondContact O-N 3.12Å
115K92.8Very high90.9Very high133 Ų133101.6 Ų101.658%0.57850%0.502SS*.Hα-helixtrans-61.2-37175.9-73.9173.4-178.3170.50113.5E111 L112 G119E111-K115 WeakPolarHBondContact O-CG 3.31Å; E111-K115 PolarHBondContact O-N 2.83Å; E111-K115 VanDerWaalsContact O-N 3.08Å; L112-K115 PolarHBondContact O-N 2.88Å; K115-G119 PolarHBondContact O-N 2.75Å
116I93.4Very high90.7Very high89 Ų89103.9 Ų103.946%0.45652%0.515SS..Hα-helixtrans-66.3-43.8175.8-70.1163.2000109.8L112 L113 E114 G119 Q120L112-I116 WeakPolarHBondContact O-CB 2.99Å; L112-I116 WeakPolarHBondContact O-CD1 3.43Å; L112-I116 WeakPolarHBondContact O-CG1 3.42Å; L112-I116 PolarHBondContact O-N 2.86Å; L113-I116 PolarHBondContact O-N 2.74Å; E114-I116 VanDerWaalsContact C-N 3.32Å; E114-I116 PolarHBondContact O-N 3.12Å; I116-G119 PolarHBondContact O-N 2.59Å; I116-Q120 HydrophobicContact CG2-CG 4.41Å; I116-Q120 WeakPolarHBondContact O-CB 3.5Å; I116-Q120 VanDerWaalsContact O-CG 3.3Å; I116-Q120 WeakPolarHBondContact O-CG 3.33Å; I116-Q120 PolarHBondContact O-N 2.62Å
117A93.4Very high90.2Very high56 Ų56105.8 Ų105.846%0.46353%0.526SS..Hα-helixtrans-63.6-45.2178.200000111.8L113 E114 G119 Q120 A121L113-A117 WeakPolarHBondContact O-CB 3.43Å; L113-A117 PolarHBondContact O-N 3.02Å; E114-A117 WeakPolarHBondContact O-CB 3.44Å; E114-A117 PolarHBondContact O-N 2.83Å; E114-A117 VanDerWaalsContact O-N 3.13Å; A117-G119 PolarHBondContact O-N 3.24Å; A117-Q120 PolarHBondContact O-N 3.33Å; A117-A121 WeakPolarHBondContact O-CB 3.43Å; A117-A121 PolarHBondContact O-N 2.89Å
118E92.3Very high89.4Confident118 Ų118107.4 Ų107.455%0.55153%0.529SS*.Hα-helixtrans-58.3-46.4173.5-71.5176.816900111.6E114 Q120 A121 A122E114-E118 WeakPolarHBondContact O-CG 3.07Å; E114-E118 PolarHBondContact O-N 3.12Å; E118-Q120 PolarHBondContact O-N 2.82Å; E118-A121 PolarHBondContact O-N 2.76Å; E118-A122 WeakPolarHBondContact O-CB 3.5Å; E118-A122 PolarHBondContact O-N 3.29Å
119G91.1Very high88.4Confident42 Ų42106 Ų10643%0.43353%0.53SS..Hα-helixtrans-63.4-39.1177.900000113.2K115 I116 A117 K123K115-G119 PolarHBondContact O-N 2.75Å; I116-G119 PolarHBondContact O-N 2.59Å; A117-G119 PolarHBondContact O-N 3.24Å; G119-K123 WeakPolarHBondContact O-CB 3.5Å; G119-K123 PolarHBondContact O-N 3.07Å
120Q90.6Very high87.2Confident132 Ų132104.9 Ų104.962%0.61753%0.534SS*.Hα-helixtrans-67.7-41.8175-73.8178.5-0.500112I116 A117 E118 K123 K124I116-Q120 HydrophobicContact CG2-CG 4.41Å; I116-Q120 WeakPolarHBondContact O-CB 3.5Å; I116-Q120 VanDerWaalsContact O-CG 3.3Å; I116-Q120 WeakPolarHBondContact O-CG 3.33Å; I116-Q120 PolarHBondContact O-N 2.62Å; A117-Q120 PolarHBondContact O-N 3.33Å; E118-Q120 PolarHBondContact O-N 2.82Å; Q120-K123 PolarHBondContact O-N 2.82Å; Q120-K124 PolarHBondContact O-N 2.92Å
121A90.4Very high85.5Confident49 Ų49103.7 Ų103.741%0.40554%0.537SS..Hα-helixtrans-63.5-45.7176.500000111.7A117 E118 K123 K124 Q125A117-A121 WeakPolarHBondContact O-CB 3.43Å; A117-A121 PolarHBondContact O-N 2.89Å; E118-A121 PolarHBondContact O-N 2.76Å; A121-K123 VanDerWaalsContact C-N 3.34Å; A121-K123 PolarHBondContact O-N 3.35Å; A121-K124 PolarHBondContact O-N 3.47Å; A121-Q125 WeakPolarHBondContact O-CG 3.41Å; A121-Q125 PolarHBondContact O-N 3.38Å
122A90.1Very high83.5Confident57 Ų57102.1 Ų102.147%0.47155%0.547SS..Hα-helixtrans-62.3-40.2175.600000112E118 Q125 K126E118-A122 WeakPolarHBondContact O-CB 3.5Å; E118-A122 PolarHBondContact O-N 3.29Å; A122-Q125 PolarHBondContact O-N 3.34Å; A122-K126 WeakPolarHBondContact O-CB 3.45Å; A122-K126 PolarHBondContact O-N 2.79Å
123K89.7Confident81.5Confident144 Ų144101.4 Ų101.463%0.62655%0.554SS**Hα-helixtrans-63.4-41.2175.1-172.2177.2-179.4-178.90111.7G119 Q120 A121 K126 L127G119-K123 WeakPolarHBondContact O-CB 3.5Å; G119-K123 PolarHBondContact O-N 3.07Å; Q120-K123 PolarHBondContact O-N 2.82Å; A121-K123 VanDerWaalsContact C-N 3.34Å; A121-K123 PolarHBondContact O-N 3.35Å; K123-K126 PolarHBondContact O-N 2.78Å; K123-L127 HydrophobicContact CG-CD1 4.08Å; K123-L127 WeakPolarHBondContact O-CD1 3.33Å; K123-L127 PolarHBondContact O-N 2.77Å
124K86.6Confident79.2Confident132 Ų132103.7 Ų103.757%0.57457%0.567SS**Hα-helixtrans-64.6-45.3177.5-166.3-173-178.7-147.60111.7Q120 A121 K126 L127 E128Q120-K124 PolarHBondContact O-N 2.92Å; A121-K124 PolarHBondContact O-N 3.47Å; K124-K126 VanDerWaalsContact C-N 3.29Å; K124-K126 PolarHBondContact O-N 2.61Å; K124-L127 PolarHBondContact O-N 3.24Å; K124-E128 WeakPolarHBondContact CE-OE1 3.22Å; K124-E128 IonicContact NZ-OE1 2.72Å; K124-E128 PolarHBondContact NZ-OE1 3.48Å; K124-E128 WeakPolarHBondContact O-CG 3.24Å; K124-E128 PolarHBondContact O-N 3.1Å
125Q82.9Confident76.5Confident120 Ų120107.1 Ų107.156%0.56158%0.583SS**Hα-helixtrans-61.5-37.6176-71.9177.13.400112.3A121 A122 E128 Q129A121-Q125 WeakPolarHBondContact O-CG 3.41Å; A121-Q125 PolarHBondContact O-N 3.38Å; A122-Q125 PolarHBondContact O-N 3.34Å; Q125-E128 PolarHBondContact O-N 2.8Å; Q125-Q129 WeakPolarHBondContact O-CB 3.38Å; Q125-Q129 WeakPolarHBondContact O-CG 3.43Å; Q125-Q129 PolarHBondContact O-N 2.99Å
126K83.9Confident74.1Confident145 Ų145103.2 Ų103.263%0.6358%0.581SS**Hα-helixtrans-68.5-39.7177.1-153.4177.5-174.9-174.80112.4A122 K123 K124 Q129 D130A122-K126 WeakPolarHBondContact O-CB 3.45Å; A122-K126 PolarHBondContact O-N 2.79Å; K123-K126 PolarHBondContact O-N 2.78Å; K124-K126 VanDerWaalsContact C-N 3.29Å; K124-K126 PolarHBondContact O-N 2.61Å; K126-Q129 PolarHBondContact O-N 3.48Å; K126-D130 PolarHBondContact O-N 2.93Å
127L78.8Confident71.3Confident107 Ų107108.6 Ų108.656%0.5660%0.604SS**Hα-helixtrans-65.6-39.1172.8-82.6153.5000112.2K123 K124 D130 S131K123-L127 HydrophobicContact CG-CD1 4.08Å; K123-L127 WeakPolarHBondContact O-CD1 3.33Å; K123-L127 PolarHBondContact O-N 2.77Å; K124-L127 PolarHBondContact O-N 3.24Å; L127-D130 PolarHBondContact O-N 3.04Å; L127-S131 WeakPolarHBondContact O-CB 3.41Å; L127-S131 PolarHBondContact O-N 2.84Å; L127-S131 PolarHBondContact O-OG 3.17Å; L127-S131 VanDerWaalsContact O-OG 3.09Å
128E76.8Confident68.3Low103 Ų103115.3 Ų115.348%0.48163%0.626SS.*Hα-helixtrans-66.6-37.6175.3-73.9170.8-177.800111.4K124 Q125 S131 G132K124-E128 WeakPolarHBondContact CE-OE1 3.22Å; K124-E128 IonicContact NZ-OE1 2.72Å; K124-E128 PolarHBondContact NZ-OE1 3.48Å; K124-E128 WeakPolarHBondContact O-CG 3.24Å; K124-E128 PolarHBondContact O-N 3.1Å; Q125-E128 PolarHBondContact O-N 2.8Å; E128-S131 WeakPolarHBondContact CA-OG 3.31Å; E128-S131 PolarHBondContact O-OG 2.96Å; E128-G132 PolarHBondContact O-N 3.07Å; E128-G132 VanDerWaalsContact O-N 3.09Å
129Q68.3Low65.3Low144 Ų144114.9 Ų114.967%0.67364%0.642SS**Hα-helixtrans-68.2-40.4173.5-77.9177.51.400113.1Q125 K126 G132 A133Q125-Q129 WeakPolarHBondContact O-CB 3.38Å; Q125-Q129 WeakPolarHBondContact O-CG 3.43Å; Q125-Q129 PolarHBondContact O-N 2.99Å; K126-Q129 PolarHBondContact O-N 3.48Å; Q129-G132 PolarHBondContact O-N 3.1Å; Q129-A133 PolarHBondContact O-N 2.77Å
130D64.6Low62.3Low114 Ų114116.9 Ų116.961%0.6166%0.662SS**Hα-helixtrans-69.9-36.5175.3-83.1-15.7000111.8K126 L127 G132 A133K126-D130 PolarHBondContact O-N 2.93Å; L127-D130 PolarHBondContact O-N 3.04Å; D130-G132 VanDerWaalsContact C-N 3.29Å; D130-G132 PolarHBondContact O-N 2.87Å; D130-A133 PolarHBondContact O-N 2.99Å
131S56.2Low59.4Low82 Ų82114.5 Ų114.557%0.57367%0.674SS**Hα-helixtrans-71.4-21.6175.163.90000114L127 E128L127-S131 WeakPolarHBondContact O-CB 3.41Å; L127-S131 PolarHBondContact O-N 2.84Å; L127-S131 PolarHBondContact O-OG 3.17Å; L127-S131 VanDerWaalsContact O-OG 3.09Å; E128-S131 WeakPolarHBondContact CA-OG 3.31Å; E128-S131 PolarHBondContact O-OG 2.96Å
132G52.6Low56.5Low62 Ų62118 Ų11864%0.63970%0.695SS**THydrogen-bonded Turntrans-84.5-6.9174.700000114.2E128 Q129 D130E128-G132 PolarHBondContact O-N 3.07Å; E128-G132 VanDerWaalsContact O-N 3.09Å; Q129-G132 PolarHBondContact O-N 3.1Å; D130-G132 VanDerWaalsContact C-N 3.29Å; D130-G132 PolarHBondContact O-N 2.87Å
133A50.7Low53.6Low75 Ų75124.7 Ų124.762%0.6272%0.717SS**SBendtrans-97.6-7178.600000113.7Q129 D130Q129-A133 PolarHBondContact O-N 2.77Å; D130-A133 PolarHBondContact O-N 2.99Å
134D43.6Very low50.8Low149 Ų149122.2 Ų122.280%0.79772%0.723SS**SBendtrans-95.4-0.3-176.3-149.425.7000114.1
135E37.8Very low48.5Very low196 Ų196121.8 Ų121.892%0.91673%0.734SS**SBendtrans-95.128.2172.8-77.5-162.6156.100113.6
136G42.1Very low46Very low52 Ų52125.5 Ų125.554%0.53675%0.751SS.*SBendtrans-157.754.4-174.100000116.8
137Q35.1Very low43.2Very low202 Ų202121.8 Ų121.894%0.94475%0.754SS**  trans-174.197.3143.5-105.3154.20.900112.7
138E29.7Very low40.8Very low197 Ų197122.7 Ų122.792%0.92177%0.769SS**  trans-103.1142.2151-106.4-168162.900110.1
139A30.4Very low38.6Very low109 Ų109124.2 Ų124.290%0.90179%0.786SS**  trans95.4107159.300000119.4
140G27.7Very low37.3Very low83 Ų83123.5 Ų123.586%0.85679%0.793SS**  trans164.894.914000000117
141G28.8Very low35.5Very low83 Ų83121.6 Ų121.686%0.85680%0.801SS**  trans110.3106.2140.100000118.3
142S30.9Very low34.1Very low123 Ų123121.4 Ų121.486%0.8681%0.812SS**  trans-70.6142.9164.1-56.20000112.4
143E28.4Very low32.9Very low197 Ų197127.1 Ų127.192%0.92182%0.822SS**  trans-163.2128.5139.6-112175.2-176.800110.3
144A31.7Very low31.6Very low91 Ų91128.8 Ų128.875%0.75282%0.824SS**  trans-97.4154164.100000108
145P37.2Very low30.8Very low123 Ų123127.4 Ų127.480%0.79982%0.822SS**  -146.9154.395.733-14.1000116.5
146Q30.1Very low30.3Very low198 Ų198124.5 Ų124.593%0.92581%0.812SS**  trans-9.9143.8153.3-57.8171.55.600119.5
147G25.3Very low29.5Very low67 Ų67128.6 Ų128.669%0.69182%0.822SS**  trans157.196.5148.500000117.6
148S28.2Very low29.1Very low126 Ų126122 Ų12288%0.88181%0.809SS**  trans77.7104.6136.1-40.80000121.4
149T30.8Very low29Very low135 Ų135122.3 Ų122.383%0.82881%0.81SS**  trans-70.7171.8138.97.90000109.9
150P41.5Very low28.7Very low129 Ų129122.1 Ų122.184%0.83881%0.808SS**  cis-148.8-175.829.238.6-15000117.4
151G26.5Very low28.8Very low74 Ų74126.2 Ų126.276%0.76381%0.81SS**  trans126.6107.6159.200000111.9
152G26.6Very low28.7Very low78 Ų78125.1 Ų125.180%0.80480%0.8SS**  79.3126.361.400000107.8
153E27.6Very low28.7Very low182 Ų182128.6 Ų128.685%0.8580%0.802SS**  cis-171.7150.325.1-114.9170.7170.500107.8
154T24.6Very low28.6Very low110 Ų110128.6 Ų128.668%0.67580%0.802SS**  trans18.3143135.262.90000119.2
155T26.4Very low28.6Very low120 Ų120133.2 Ų133.274%0.73681%0.808SS**  174.5136.555.411.40000106.4
156D26.6Very low28.1Very low135 Ų135136.5 Ų136.572%0.72281%0.813SS**  86.2138.8104.8-146.839.4000112.1
157D26.1Very low28Very low139 Ų139131.8 Ų131.874%0.74381%0.808SS**  cis-170.8163.617.6-149.6-13.6000111.1
158G25.6Very low28Very low64 Ų64137.3 Ų137.366%0.6682%0.816SS**  trans70.4135.8150.800000120.6
159Q28.2Very low28.2Very low202 Ų202136.9 Ų136.994%0.94481%0.813SS**  cis-164.6127.911.4-111.4169.2-12.100108
160A25.1Very low28.2Very low105 Ų105135.2 Ų135.287%0.86881%0.807SS**PPolyproline II helixtrans-96128.9166.600000109.1
161N28.7Very low27.7Very low169 Ų169133.9 Ų133.990%0.90480%0.8SS**PPolyproline II helixtrans-95.4120.2168.1-159.120.9000108.6
162G26.9Very low28.1Very low61 Ų61136.5 Ų136.563%0.62980%0.804SS**PPolyproline II helixtrans-80.3144.6-17500000113.3
163Q30.1Very low28.2Very low196 Ų196141.1 Ų141.192%0.91681%0.805SS**  trans-127.8113.1146.5-74.9-175.4-14.900106.9E165Q163-E165 PolarHBondContact O-N 2.98Å
164Q28Very low28.6Very low197 Ų197138.7 Ų138.792%0.92181%0.805SS**  trans-68.9114.3172.8-71.7165-30.400107.9
165E29.8Very low29Very low187 Ų187136 Ų13687%0.87480%0.798SS**  trans-106.7120.7153.4-79-171.2160.800107Q163 A167Q163-E165 PolarHBondContact O-N 2.98Å; E165-A167 PolarHBondContact O-N 2.72Å
166E28.1Very low29.7Very low192 Ų192136 Ų13690%0.89780%0.801SS**  trans-56.6114.1-179.4-69.9175.3141.900110.4E168E166-E168 PolarHBondContact O-N 3.13Å; E166-E168 VanDerWaalsContact O-N 3.13Å
167A27.6Very low30.5Very low100 Ų100134.7 Ų134.783%0.82680%0.802SS**  trans-77.990.1168.600000109E165 S169E165-A167 PolarHBondContact O-N 2.72Å; A167-S169 VanDerWaalsContact C-N 3.32Å; A167-S169 PolarHBondContact O-N 2.82Å
168E26.1Very low31.7Very low182 Ų182135.9 Ų135.985%0.8581%0.808SS**  trans-67.897.7156.1-85.5-167.8157.900108.7E166 S170E166-E168 PolarHBondContact O-N 3.13Å; E166-E168 VanDerWaalsContact O-N 3.13Å; E168-S170 PolarHBondContact O-N 3.37Å
169S31.8Very low33.2Very low117 Ų117135.2 Ų135.282%0.81880%0.802SS**  trans-54.195.7161.8152.10000109.8A167A167-S169 VanDerWaalsContact C-N 3.32Å; A167-S169 PolarHBondContact O-N 2.82Å
170S29.7Very low34.9Very low100 Ų100130.7 Ų130.770%0.69979%0.787SS**  trans-128.4102.9156.861.50000109.7E168E168-S170 PolarHBondContact O-N 3.37Å
171S32.3Very low37.4Very low101 Ų101131 Ų13171%0.70678%0.778SS**  trans-52.5125.3167-48.70000109.2Q173S171-Q173 PolarHBondContact O-N 3.06Å
172P34.8Very low40Very low129 Ų129127.3 Ų127.384%0.83876%0.764SS**  trans-74.1101.3171.88.53.7000107.7
173Q29.2Very low42.8Very low176 Ų176125.6 Ų125.682%0.82274%0.74SS**  trans-60.5133.4161.8-72.5-127.8-49.600108.8S171 G175S171-Q173 PolarHBondContact O-N 3.06Å; Q173-G175 VanDerWaalsContact C-N 3.26Å; Q173-G175 PolarHBondContact O-N 3.4Å
174P35.4Very low45.6Very low131 Ų131119.4 Ų119.485%0.85172%0.717SS**  trans-75.984.7173.430.8-30.1000108.3
175G31.8Very low48.4Very low52 Ų52117 Ų11754%0.53670%0.7SS.*  trans-69.3145.8164.900000109.9Q173 S177Q173-G175 VanDerWaalsContact C-N 3.26Å; Q173-G175 PolarHBondContact O-N 3.4Å; G175-S177 VanDerWaalsContact C-N 3.27Å; G175-S177 PolarHBondContact O-N 2.94Å
176P42Very low51.1Low122 Ų122113.8 Ų113.879%0.79270%0.698SS**  trans-75.782.317732.3-31.9000108.8N178P176-N178 PolarHBondContact O-N 3.48Å
177S43.1Very low53.8Low107 Ų107106.9 Ų106.975%0.74867%0.674SS**  trans-77.582.9165.458.40000108.5G175 G179G175-S177 VanDerWaalsContact C-N 3.27Å; G175-S177 PolarHBondContact O-N 2.94Å; S177-G179 PolarHBondContact O-N 3.46Å
178N51.1Low56.6Low164 Ų164103.5 Ų103.588%0.87764%0.641SS**  trans-63.713.1167.5-88.3-12.1000113.5P176P176-N178 PolarHBondContact O-N 3.48Å
179G57.2Low59.3Low50 Ų5099.5 Ų99.552%0.51563%0.625SS.*  trans-99.4103.1176.300000110.2S177 T181S177-G179 PolarHBondContact O-N 3.46Å; G179-T181 PolarHBondContact O-N 2.92Å
180V64.7Low61.4Low106 Ų10699 Ų9964%0.64261%0.612SS**  trans-53.6115.7162.9176.80000107.3P182V180-P182 VanDerWaalsContact O-CD 3.25Å; V180-P182 WeakPolarHBondContact O-CD 3.43Å; V180-P182 VanDerWaalsContact O-N 3.1Å
181T77.3Confident63.3Low111 Ų111103 Ų10368%0.68162%0.62SS**PPolyproline II helixtrans-62.8116.2178.4-38.40000108.3R105 G179R105-T181 PolarHBondContact NH1-O 3.03Å; R105-T181 PolarHBondContact NH2-O 2.88Å; G179-T181 PolarHBondContact O-N 2.92Å
182P82.6Confident65Low93 Ų93102.3 Ų102.360%0.60461%0.608SS**PPolyproline II helixtrans-63.9156.1-176.724.9-32.4000110.7V180 P184V180-P182 VanDerWaalsContact O-CD 3.25Å; V180-P182 WeakPolarHBondContact O-CD 3.43Å; V180-P182 VanDerWaalsContact O-N 3.1Å; P182-P184 WeakPolarHBondContact O-CD 3.21Å
183L85.9Confident66.4Low24 Ų2499.2 Ų99.213%0.12659%0.593CS.*PPolyproline II helixtrans-59.5119.5173.2-177.173.2000108.6F94 Q97 A101 A187F94-L183 HydrophobicContact CE2-CD2 4.4Å; F94-L183 WeakPolarHBondContact CE2-O 3.32Å; F94-L183 VanDerWaalsContact CZ-O 3.32Å; F94-L183 WeakPolarHBondContact CZ-O 3.48Å; Q97-L183 HydrophobicContact CB-CD2 3.82Å; A101-L183 HydrophobicContact CB-CB 4.42Å; A101-L183 HydrophobicContact CB-CD1 4.17Å; L183-A187 HydrophobicContact CD1-CB 4.13Å
184P89.8Confident68Low67 Ų6794.6 Ų94.644%0.43558%0.577SS.*PPolyproline II helixtrans-68.5142.4179.527.1-32.5000109.8P182 S186 A187P182-P184 WeakPolarHBondContact O-CD 3.21Å; P184-S186 PolarHBondContact O-N 2.86Å; P184-S186 VanDerWaalsContact O-N 3.12Å; P184-A187 HydrophobicContact CG-CB 3.8Å; P184-A187 WeakPolarHBondContact O-CB 3.1Å; P184-A187 PolarHBondContact O-N 2.84Å
185R86.1Confident69.5Low147 Ų14791.2 Ų91.256%0.55556%0.56SS**G310 helixtrans-56.8-29.9179-77.6-168.2176.3-105.6-3.9113.1E91 F94 A187 L188E91-R185 VanDerWaalsContact CD-NH2 3.34Å; E91-R185 IonicContact OE1-NH2 3.67Å; E91-R185 PolarHBondContact OE1-NH2 2.93Å; E91-R185 VanDerWaalsContact OE1-NH2 3.07Å; E91-R185 IonicContact OE2-CZ 2.69Å; E91-R185 VanDerWaalsContact OE2-CZ 3.29Å; E91-R185 IonicContact OE2-NH1 3.35Å; E91-R185 PolarHBondContact OE2-NH1 3.39Å; E91-R185 IonicContact OE2-NH2 3.38Å; E91-R185 PolarHBondContact OE2-NH2 2.96Å; F94-R185 HydrophobicContact CD2-CG 4.27Å; F94-R185 HydrophobicContact CE1-CG 4.31Å; F94-R185 HydrophobicContact CE2-CB 4.38Å; F94-R185 HydrophobicContact CE2-CG 3.77Å; F94-R185 HydrophobicContact CZ-CG 3.79Å; R185-A187 PolarHBondContact O-N 2.9Å; R185-L188 VanDerWaalsContact O-CB 3.32Å; R185-L188 WeakPolarHBondContact O-CB 3.15Å; R185-L188 PolarHBondContact O-N 3.39Å
186S87.3Confident71.2Confident119 Ų11994.1 Ų94.183%0.83256%0.555SS**G310 helixtrans-66.4-19.8175.553.60000113.9P184P184-S186 PolarHBondContact O-N 2.86Å; P184-S186 VanDerWaalsContact O-N 3.12Å
187A85.3Confident72.1Confident47 Ų4793.9 Ų93.939%0.38855%0.554SS.*G310 helixtrans-95.56.7177.100000113.3L183 P184 R185 L189L183-A187 HydrophobicContact CD1-CB 4.13Å; P184-A187 HydrophobicContact CG-CB 3.8Å; P184-A187 WeakPolarHBondContact O-CB 3.1Å; P184-A187 PolarHBondContact O-N 2.84Å; R185-A187 PolarHBondContact O-N 2.9Å; A187-L189 PolarHBondContact O-N 2.99Å; A187-L189 VanDerWaalsContact O-N 3.16Å
188L85.6Confident73Confident29 Ų2998.3 Ų98.315%0.15255%0.554CS.*PPolyproline II helixtrans-58.1119.6175177.866.2000109.8Q90 F94 R185 I190Q90-L188 HydrophobicContact CG-CD2 3.58Å; F94-L188 HydrophobicContact CB-CD1 3.86Å; F94-L188 HydrophobicContact CB-CD2 4.45Å; F94-L188 HydrophobicContact CD2-CB 4.48Å; F94-L188 HydrophobicContact CD2-CD1 4.11Å; R185-L188 VanDerWaalsContact O-CB 3.32Å; R185-L188 WeakPolarHBondContact O-CB 3.15Å; R185-L188 PolarHBondContact O-N 3.39Å; L188-I190 PolarHBondContact O-N 3.3Å
189L82.8Confident73.6Confident98 Ų9891.9 Ų91.951%0.51352%0.521SS..PPolyproline II helixtrans-72.6126171.4-58.6174.6000108.4Q97 A187Q97-L189 PolarHBondContact NE2-O 3.34Å; Q97-L189 VanDerWaalsContact OE1-CB 3.22Å; A187-L189 PolarHBondContact O-N 2.99Å; A187-L189 VanDerWaalsContact O-N 3.16Å
190I76.3Confident73.9Confident107 Ų10796.7 Ų96.755%0.54954%0.54SS..PPolyproline II helixtrans-96125.2174.1-57.1173000107.2L188 L192L188-I190 PolarHBondContact O-N 3.3Å; I190-L192 PolarHBondContact O-N 3.04Å; I190-L192 VanDerWaalsContact O-N 3.15Å
191Q69.4Low74.5Confident183 Ų18399.3 Ų99.386%0.85554%0.543SS*.  trans-70.5111.8171.5-172.6163.51.100109.1
192L67Low74.9Confident86 Ų8695.5 Ų95.545%0.4552%0.522SS..  trans-79129.5171.4-60.3177.1000108.2A35 I190 T194A35-L192 WeakPolarHBondContact O-CD1 3.38Å; I190-L192 PolarHBondContact O-N 3.04Å; I190-L192 VanDerWaalsContact O-N 3.15Å; L192-T194 PolarHBondContact O-N 3.05Å
193A64.4Low75.3Confident64 Ų6498.2 Ų98.253%0.52953%0.525SS..  trans-66.499.4174.500000109.2
194T64.1Low75.7Confident79 Ų79102.3 Ų102.349%0.48555%0.553SS.*SBendtrans-79.5-9.2174.552.10000112.4L48 L192L48-T194 WeakPolarHBondContact CB-O 3.39Å; L48-T194 WeakPolarHBondContact CD1-O 3.48Å; L192-T194 PolarHBondContact O-N 3.05Å
195A66.8Low75.9Confident61 Ų61100.2 Ų100.250%0.50454%0.538SS..SBendtrans-142.6143.4169.500000109.1
196R67.7Low76.3Confident113 Ų11397 Ų9743%0.42653%0.532SS..  trans-109.4117.2169.5-161.7-178.3-173.9179.9-0.7108E5 W14 R198E5-R196 IonicContact OE1-CZ 3.11Å; E5-R196 IonicContact OE1-NH1 3.24Å; E5-R196 PolarHBondContact OE1-NH1 3.31Å; E5-R196 IonicContact OE2-CZ 3.34Å; E5-R196 IonicContact OE2-NE 3.15Å; E5-R196 IonicContact OE2-NH1 3.84Å; E5-R196 PolarHBondContact OE2-NH1 3.48Å; W14-R196 HydrophobicContact CB-CB 3.91Å; W14-R196 HydrophobicContact CD2-CB 3.55Å; W14-R196 HydrophobicContact CE3-CB 3.92Å; W14-R196 HydrophobicContact CG-CB 3.55Å; R196-R198 PolarHBondContact O-N 3Å
197P59.3Low76.7Confident117 Ų11792.9 Ų92.976%0.7650%0.498SS*.  trans-53.5134.6167.8-19.129.6000108
198R62.1Low77.2Confident200 Ų20098.3 Ų98.376%0.75551%0.508SS*.  trans-41.3129.2-177.3-69.3-179.3-176.6143.12.1109.6R196 V200R196-R198 PolarHBondContact O-N 3Å; R198-V200 PolarHBondContact O-N 3.37Å
199P63.3Low77.7Confident29 Ų29101 Ų10119%0.18853%0.526CS..  trans-62.7114.9-177.8-3.913.7000107.8A71 K201 A202A71-P199 HydrophobicContact CB-CB 3.86Å; A71-P199 HydrophobicContact CB-CG 4.16Å; P199-K201 PolarHBondContact O-N 3.02Å; P199-A202 HydrophobicContact CB-CB 3.89Å; P199-A202 HydrophobicContact CG-CB 3.88Å; P199-A202 VanDerWaalsContact O-CB 3.26Å; P199-A202 WeakPolarHBondContact O-CB 3.5Å; P199-A202 PolarHBondContact O-N 3.36Å
200V65.4Low78.3Confident150 Ų150101.9 Ų101.991%0.90953%0.527SS*.THydrogen-bonded Turntrans-56.1-21.1-174178.80000112.4R198R198-V200 PolarHBondContact O-N 3.37Å
201K76.9Confident79.1Confident161 Ų16199 Ų9970%0.752%0.517SS*.THydrogen-bonded Turntrans-111.814179.5-58.8-178.2179.9179.60113.6P72 P199 K203P72-K201 WeakPolarHBondContact CD-O 3.24Å; P72-K201 HydrophobicContact CG-CB 3.76Å; P199-K201 PolarHBondContact O-N 3.02Å; K201-K203 PolarHBondContact O-N 2.73Å
202A85.4Confident80.2Confident31 Ų3197.6 Ų97.626%0.25651%0.508SS..  trans-65.1134.9179.700000110.4V69 S70 P199V69-A202 HydrophobicContact CB-CB 3.94Å; V69-A202 HydrophobicContact CG2-CB 3.91Å; S70-A202 WeakPolarHBondContact O-CA 3.44Å; P199-A202 HydrophobicContact CB-CB 3.89Å; P199-A202 HydrophobicContact CG-CB 3.88Å; P199-A202 VanDerWaalsContact O-CB 3.26Å; P199-A202 WeakPolarHBondContact O-CB 3.5Å; P199-A202 PolarHBondContact O-N 3.36Å
203K90.9Very high81.4Confident150 Ų15094.4 Ų94.465%0.65249%0.491SS*.EExtended strand (participates in β ladder)trans-106.6143.2174.9-64.4-176.2179.4-176.50109.3V69 S70 K201 L205V69-K203 CarbonylContact C-O 3.51Å; V69-K203 WeakPolarHBondContact CA-O 3.37Å; V69-K203 WeakPolarHBondContact CB-O 3.31Å; S70-K203 PolarHBondContact N-O 2.8Å; S70-K203 PolarHBondContact O-N 3.4Å; K201-K203 PolarHBondContact O-N 2.73Å; K203-L205 PolarHBondContact O-N 2.67Å
204P93.2Very high82.9Confident111 Ų11191.4 Ų91.472%0.72147%0.466SS*.EExtended strand (participates in β ladder)trans-52.8136.7169.2-24.434.3000110.7
205L94.3Very high84.4Confident23 Ų2389 Ų8912%0.1245%0.453CS..  trans-108.6125.5175.5-179.8145.4000108.4V6 L68 K203 D213 W214V6-L205 HydrophobicContact CB-CD1 4.19Å; V6-L205 HydrophobicContact CG1-CD1 4.36Å; L68-L205 HydrophobicContact CB-CB 4.13Å; L68-L205 HydrophobicContact CB-CD2 4.07Å; L68-L205 HydrophobicContact CD1-CD2 3.98Å; L68-L205 PolarHBondContact O-N 2.89Å; K203-L205 PolarHBondContact O-N 2.67Å; L205-D213 HydrophobicContact CD1-CB 3.85Å; L205-W214 HydrophobicContact CD1-CB 4.08Å; L205-W214 HydrophobicContact CD2-CB 3.69Å; L205-W214 HydrophobicContact CD2-CD2 4.46Å; L205-W214 HydrophobicContact CD2-CG 4.05Å; L205-W214 HydrophobicContact CG-CB 4.39Å
206D95.4Very high85.8Confident80 Ų8087.9 Ų87.943%0.42844%0.436SS..  trans-84.9116.2172.4-171.80.3000109.8R208 V209D206-R208 PolarHBondContact O-N 3.39Å; D206-R208 WeakPolarHBondContact OD1-CB 3.38Å; D206-R208 WeakPolarHBondContact OD1-CG 3.5Å; D206-R208 PolarHBondContact OD1-N 2.87Å; D206-R208 IonicContact OD1-NH1 2.64Å; D206-V209 HydrophobicContact CB-CG2 4.49Å; D206-V209 PolarHBondContact O-N 3.12Å
207W95.2Very high87.1Confident32 Ų3283 Ų8312%0.12142%0.42CS..THydrogen-bonded Turntrans-71.9-13.4179.458.7-98000113.2R58 A61 E62 L68 V209 W214 A217R58-W207 HydrophobicContact CG-CE3 4.11Å; R58-W207 HydrophobicContact CG-CZ3 4.34Å; A61-W207 VanDerWaalsContact CB-CD1 3.46Å; A61-W207 HydrophobicContact CB-CG 4.26Å; E62-W207 HydrophobicContact CB-CH2 4.39Å; E62-W207 HydrophobicContact CB-CZ2 3.95Å; E62-W207 HydrophobicContact CG-CH2 4.18Å; E62-W207 HydrophobicContact CG-CZ2 4.01Å; L68-W207 HydrophobicContact CD1-CB 3.89Å; W207-V209 VanDerWaalsContact C-N 3.33Å; W207-W214 HydrophobicContact CB-CZ2 4.17Å; W207-W214 VanDerWaalsContact O-CD1 3.25Å; W207-W214 PolarHBondContact O-NE1 2.81Å; W207-A217 WeakPolarHBondContact O-CB 3.14Å
208R96.3Very high88.7Confident160 Ų16080.4 Ų80.460%0.60442%0.415SS*.THydrogen-bonded Turntrans-79-19.5177.6-61.5177-177.282.4-1.8112.6D206D206-R208 PolarHBondContact O-N 3.39Å; D206-R208 WeakPolarHBondContact OD1-CB 3.38Å; D206-R208 WeakPolarHBondContact OD1-CG 3.5Å; D206-R208 PolarHBondContact OD1-N 2.87Å; D206-R208 IonicContact OD1-NH1 2.64Å
209V95.8Very high90.4Very high87 Ų8776.9 Ų76.953%0.52740%0.402SS..SBendtrans-108.7128.6-176.3-177.20000109.7D206 W207 S211D206-V209 HydrophobicContact CB-CG2 4.49Å; D206-V209 PolarHBondContact O-N 3.12Å; W207-V209 VanDerWaalsContact C-N 3.33Å; V209-S211 PolarHBondContact O-N 3.27Å
210Q94.9Very high91.9Very high115 Ų11580.8 Ų80.854%0.53743%0.427SS..  trans-66130.4176.9-171.7174.963.200110.1P215 A217Q210-P215 PolarHBondContact NE2-O 3.4Å; Q210-A217 HydrophobicContact CB-CB 4.23Å
211S93.8Very high93.3Very high47 Ų4777 Ų7733%0.32941%0.411SS..  trans-144174.1178.369.80000111.2V209 D213 W214V209-S211 PolarHBondContact O-N 3.27Å; S211-D213 VanDerWaalsContact C-N 3.29Å; S211-D213 PolarHBondContact O-N 3.36Å; S211-W214 PolarHBondContact N-O 2.82Å; S211-W214 CarbonylContact O-C 3.6Å; S211-W214 PolarHBondContact O-N 2.99Å; S211-W214 PolarHBondContact OG-N 2.98Å
212K91.6Very high94.2Very high154 Ų15469.7 Ų69.767%0.6738%0.38SS*.SBendtrans-60.1-39.2176.4-175.4179.1-176.6177.10112.6
213D93.3Very high94.8Very high18 Ų1871.3 Ų71.310%0.09638%0.382CS..SBendtrans-86.8-21.8179.8-67.3-42.7000111.9V6 N8 G9 S70 R73 L205 S211V6-D213 HydrophobicContact CG1-CB 4.11Å; V6-D213 WeakPolarHBondContact CG1-O 3.38Å; N8-D213 PolarHBondContact N-OD1 3.34Å; G9-D213 WeakPolarHBondContact CA-O 3.02Å; G9-D213 PolarHBondContact N-O 3.12Å; S70-D213 PolarHBondContact OG-OD2 2.97Å; R73-D213 IonicContact CZ-OD1 3.54Å; R73-D213 IonicContact NH2-OD1 2.94Å; R73-D213 PolarHBondContact NH2-OD1 3.1Å; L205-D213 HydrophobicContact CD1-CB 3.85Å; S211-D213 VanDerWaalsContact C-N 3.29Å; S211-D213 PolarHBondContact O-N 3.36Å
214W95.8Very high95Very high1 Ų165.8 Ų65.80%0.00436%0.359CS..  trans-127.482.2174.6-170.8-102.3000112.1V6 P54 A57 R58 L68 L205 W207 S211 H216V6-W214 HydrophobicContact CG1-CE3 4.24Å; P54-W214 WeakPolarHBondContact O-CH2 3.32Å; A57-W214 HydrophobicContact CB-CH2 3.99Å; A57-W214 HydrophobicContact CB-CZ3 3.99Å; R58-W214 HydrophobicContact CB-CH2 4.21Å; R58-W214 HydrophobicContact CB-CZ2 4.03Å; L68-W214 HydrophobicContact CD1-CE3 4.29Å; L68-W214 HydrophobicContact CD1-CH2 4.42Å; L68-W214 HydrophobicContact CD1-CZ3 4.15Å; L205-W214 HydrophobicContact CD1-CB 4.08Å; L205-W214 HydrophobicContact CD2-CB 3.69Å; L205-W214 HydrophobicContact CD2-CD2 4.46Å; L205-W214 HydrophobicContact CD2-CG 4.05Å; L205-W214 HydrophobicContact CG-CB 4.39Å; W207-W214 HydrophobicContact CB-CZ2 4.17Å; W207-W214 VanDerWaalsContact O-CD1 3.25Å; W207-W214 PolarHBondContact O-NE1 2.81Å; S211-W214 PolarHBondContact N-O 2.82Å; S211-W214 CarbonylContact O-C 3.6Å; S211-W214 PolarHBondContact O-N 2.99Å; S211-W214 PolarHBondContact OG-N 2.98Å; W214-H216 HydrophobicContact CZ2-CB 4.37Å; W214-H216 PolarHBondContact O-N 3.21Å
215P95.9Very high95.3Very high30 Ų3063.2 Ų63.220%0.19534%0.335CS..THydrogen-bonded Turntrans-78.3-7.4-176.131.3-35.8000113.7Q210 R219Q210-P215 PolarHBondContact NE2-O 3.4Å; P215-R219 WeakPolarHBondContact O-CD 3.49Å; P215-R219 PolarHBondContact O-NE 2.75Å
216H95.8Very high95.4Very high36 Ų3662.6 Ų62.617%0.16733%0.331CS..THydrogen-bonded Turntrans-83-23-165.4-55.5-69.7000114.8W214 G218 R219 H222W214-H216 HydrophobicContact CZ2-CB 4.37Å; W214-H216 PolarHBondContact O-N 3.21Å; H216-G218 PolarHBondContact O-N 3.47Å; H216-R219 PolarHBondContact O-N 2.91Å; H216-R219 VanDerWaalsContact O-N 3.16Å; H216-H222 HydrophobicContact CB-CB 4.29Å; H216-H222 PolarHBondContact O-ND1 2.56Å
217A95.3Very high95.5Very high11 Ų1160.6 Ų60.69%0.09132%0.324CS..THydrogen-bonded Turntrans-54.4127.5-177.900000111.7W207 Q210 R219W207-A217 WeakPolarHBondContact O-CB 3.14Å; Q210-A217 HydrophobicContact CB-CB 4.23Å; A217-R219 PolarHBondContact O-N 3.45Å
218G93.3Very high95.7Very high63 Ų6359.1 Ų59.165%0.64932%0.318SS*.THydrogen-bonded Turntrans70.15.3176.100000115.3H216H216-G218 PolarHBondContact O-N 3.47Å
219R96.3Very high95.8Very high126 Ų12651.5 Ų51.548%0.47529%0.29SS..  trans-78.4124.8176.2-69.9-166.2177.8-166.1-0.9110.2P215 H216 A217 A221 H222 E223P215-R219 WeakPolarHBondContact O-CD 3.49Å; P215-R219 PolarHBondContact O-NE 2.75Å; H216-R219 PolarHBondContact O-N 2.91Å; H216-R219 VanDerWaalsContact O-N 3.16Å; A217-R219 PolarHBondContact O-N 3.45Å; R219-A221 VanDerWaalsContact C-N 3.31Å; R219-A221 PolarHBondContact O-N 3.35Å; R219-H222 HydrophobicContact CB-CB 4.17Å; R219-H222 PolarHBondContact O-N 2.8Å; R219-E223 PolarHBondContact O-N 3.28Å
220P95.4Very high95.9Very high111 Ų11151.8 Ų51.872%0.72128%0.281SS*.Hα-helixtrans-52.7-45.1-177.6-29.135.2000113.8H222 E223 L224P220-H222 VanDerWaalsContact C-N 3.28Å; P220-H222 PolarHBondContact O-N 2.97Å; P220-E223 PolarHBondContact O-N 3.32Å; P220-L224 WeakPolarHBondContact O-CB 3.44Å; P220-L224 PolarHBondContact O-N 2.74Å
221A94.9Very high96Very high69 Ų6947.4 Ų47.457%0.5726%0.261SS*.Hα-helixtrans-61.8-33.2178.300000113.6R219 R225R219-A221 VanDerWaalsContact C-N 3.31Å; R219-A221 PolarHBondContact O-N 3.35Å; A221-R225 WeakPolarHBondContact O-CB 3.45Å; A221-R225 VanDerWaalsContact O-CG 3.31Å; A221-R225 WeakPolarHBondContact O-CG 3.16Å; A221-R225 PolarHBondContact O-N 2.85Å
222H96.8Very high96.2Very high9 Ų945.4 Ų45.44%0.04225%0.247CC..Hα-helixtrans-79.3-39.5176.9178.6-107.5000111.7P54 E55 H216 R219 P220 L224 R225 Y226P54-H222 WeakPolarHBondContact CB-NE2 3.44Å; E55-H222 IonicContact OE1-CD2 3.61Å; H216-H222 HydrophobicContact CB-CB 4.29Å; H216-H222 PolarHBondContact O-ND1 2.56Å; R219-H222 HydrophobicContact CB-CB 4.17Å; R219-H222 PolarHBondContact O-N 2.8Å; P220-H222 VanDerWaalsContact C-N 3.28Å; P220-H222 PolarHBondContact O-N 2.97Å; H222-L224 VanDerWaalsContact C-N 3.34Å; H222-R225 PolarHBondContact O-N 2.94Å; H222-Y226 WeakPolarHBondContact O-CB 3.39Å; H222-Y226 PolarHBondContact O-N 2.83Å
223E96.1Very high96.5Very high65 Ų6540.8 Ų40.830%0.30423%0.225SC..Hα-helixtrans-60.7-44.3174.7-63-51.2128.700111.4R58 R219 P220 Y226 S227R58-E223 IonicContact CZ-OE1 3.6Å; R58-E223 IonicContact CZ-OE2 3.67Å; R58-E223 VanDerWaalsContact CZ-OE2 3.24Å; R58-E223 IonicContact NH1-OE1 2.81Å; R58-E223 PolarHBondContact NH1-OE1 3.44Å; R58-E223 IonicContact NH1-OE2 2.82Å; R58-E223 PolarHBondContact NH1-OE2 2.88Å; R58-E223 IonicContact NH2-OE1 3.29Å; R58-E223 IonicContact NH2-OE2 3.96Å; R58-E223 PolarHBondContact NH2-OE2 2.89Å; R219-E223 PolarHBondContact O-N 3.28Å; P220-E223 PolarHBondContact O-N 3.32Å; E223-Y226 PolarHBondContact O-N 2.8Å; E223-S227 PolarHBondContact O-N 3.4Å
224L96.7Very high96.7Very high33 Ų3345.2 Ų45.217%0.17325%0.246CC..Hα-helixtrans-55.8-57.9173.9172.959.2000111.1P220 H222 Y226 S227 I228 C267 P298P220-L224 WeakPolarHBondContact O-CB 3.44Å; P220-L224 PolarHBondContact O-N 2.74Å; H222-L224 VanDerWaalsContact C-N 3.34Å; L224-Y226 VanDerWaalsContact C-N 3.29Å; L224-Y226 PolarHBondContact O-N 3.34Å; L224-S227 PolarHBondContact O-N 3.37Å; L224-S227 PolarHBondContact O-OG 2.94Å; L224-I228 HydrophobicContact CD1-CD1 3.9Å; L224-I228 HydrophobicContact CG-CD1 4.39Å; L224-I228 PolarHBondContact O-N 2.67Å; L224-C267 HydrophobicContact CD2-CB 4.41Å; L224-C267 HydrophobicContact CG-CB 4.2Å; L224-P298 HydrophobicContact CD1-CG 3.48Å; L224-P298 VanDerWaalsContact CD1-CG 3.48Å
225R97.8Very high96.8Very high58 Ų5852 Ų5222%0.21927%0.271CS..Hα-helixtrans-61.6-37.6-179-72.3176.873.9-115.7-15.9112.1E55 A221 H222 Y229 D248 F249 C267E55-R225 HydrophobicContact CG-CB 4.3Å; E55-R225 IonicContact OE1-CZ 3.67Å; E55-R225 VanDerWaalsContact OE1-CZ 3.22Å; E55-R225 IonicContact OE1-NE 2.68Å; E55-R225 IonicContact OE1-NH1 3.63Å; E55-R225 PolarHBondContact OE1-NH1 3.08Å; E55-R225 IonicContact OE1-NH2 3.76Å; E55-R225 IonicContact OE2-NH1 3.68Å; E55-R225 IonicContact OE2-NH2 3.94Å; A221-R225 WeakPolarHBondContact O-CB 3.45Å; A221-R225 VanDerWaalsContact O-CG 3.31Å; A221-R225 WeakPolarHBondContact O-CG 3.16Å; A221-R225 PolarHBondContact O-N 2.85Å; H222-R225 PolarHBondContact O-N 2.94Å; R225-Y229 VanDerWaalsContact O-CB 3.27Å; R225-Y229 WeakPolarHBondContact O-CB 3.28Å; R225-Y229 PolarHBondContact O-N 3.38Å; R225-D248 WeakPolarHBondContact CD-OD1 3.49Å; R225-D248 IonicContact NE-OD1 3.05Å; R225-D248 PolarHBondContact NE-OD1 3.16Å; R225-F249 HydrophobicContact CB-CE2 4.27Å; R225-F249 HydrophobicContact CB-CZ 4.04Å; R225-C267 HydrophobicContact CG-CB 3.97Å
226Y97.9Very high96.8Very high9 Ų952.9 Ų52.94%0.03529%0.286CS..Hα-helixtrans-66.7-43.2178.8179-109.7000112.8E55 R58 L59 E62 H222 E223 L224 I228 Y229 R230E55-Y226 HydrophobicContact CB-CD2 4.17Å; R58-Y226 HydrophobicContact CB-CD2 4.13Å; R58-Y226 HydrophobicContact CB-CE2 3.86Å; R58-Y226 HydrophobicContact CG-CD2 4.07Å; R58-Y226 HydrophobicContact CG-CE1 4.25Å; R58-Y226 HydrophobicContact CG-CE2 3.65Å; R58-Y226 VanDerWaalsContact CZ-CE1 3.41Å; R58-Y226 VanDerWaalsContact NE-CD1 3.27Å; L59-Y226 HydrophobicContact CB-CE2 4.01Å; E62-Y226 VanDerWaalsContact CD-OH 3.24Å; E62-Y226 WeakPolarHBondContact OE2-CE1 3.37Å; E62-Y226 VanDerWaalsContact OE2-CZ 3.3Å; E62-Y226 PolarHBondContact OE2-OH 3.29Å; H222-Y226 WeakPolarHBondContact O-CB 3.39Å; H222-Y226 PolarHBondContact O-N 2.83Å; E223-Y226 PolarHBondContact O-N 2.8Å; L224-Y226 VanDerWaalsContact C-N 3.29Å; L224-Y226 PolarHBondContact O-N 3.34Å; Y226-I228 VanDerWaalsContact C-N 3.3Å; Y226-I228 PolarHBondContact O-N 2.87Å; Y226-Y229 PolarHBondContact O-N 2.93Å; Y226-R230 WeakPolarHBondContact O-CB 3.34Å; Y226-R230 PolarHBondContact O-N 2.95Å
227S97.3Very high96.9Very high39 Ų3953.8 Ų53.827%0.27329%0.29SS..Hα-helixtrans-57.8-44.6178680000111.8E223 L224 R230 D231E223-S227 PolarHBondContact O-N 3.4Å; L224-S227 PolarHBondContact O-N 3.37Å; L224-S227 PolarHBondContact O-OG 2.94Å; S227-R230 PolarHBondContact O-N 3.05Å; S227-D231 PolarHBondContact O-N 3Å
228I98.4Very high97Very high0 Ų054.5 Ų54.50%029%0.291CS..Hα-helixtrans-68.9-43.1177.6-64.4159.7000111.4L224 Y226 R230 D231 L232 C267 C296 V304 Y306L224-I228 HydrophobicContact CD1-CD1 3.9Å; L224-I228 HydrophobicContact CG-CD1 4.39Å; L224-I228 PolarHBondContact O-N 2.67Å; Y226-I228 VanDerWaalsContact C-N 3.3Å; Y226-I228 PolarHBondContact O-N 2.87Å; I228-R230 VanDerWaalsContact C-N 3.32Å; I228-R230 PolarHBondContact O-N 3.49Å; I228-D231 PolarHBondContact O-N 3.09Å; I228-L232 HydrophobicContact CG2-CD1 4.03Å; I228-L232 WeakPolarHBondContact O-CB 3.27Å; I228-L232 WeakPolarHBondContact O-CG 3.48Å; I228-L232 PolarHBondContact O-N 3.07Å; I228-C267 HydrophobicContact CD1-CB 3.44Å; I228-C267 VanDerWaalsContact CD1-CB 3.44Å; I228-C267 WeakPolarHBondContact CD1-SG 3.35Å; I228-C296 HydrophobicContact CD1-CB 3.85Å; I228-C296 WeakPolarHBondContact CD1-O 3.45Å; I228-C296 HydrophobicContact CG1-CB 4.12Å; I228-C296 HydrophobicContact CG2-CB 3.65Å; I228-V304 HydrophobicContact CG1-CG1 3.96Å; I228-V304 HydrophobicContact CG1-CG2 4.33Å; I228-Y306 HydrophobicContact CG2-CE1 4.48Å
229Y98.4Very high97.3Very high1 Ų151.7 Ų51.70%0.00426%0.261CS..Hα-helixtrans-57.6-47.8176.3-179.4-80.3000110.8L53 E55 E56 L59 R225 Y226 L232 W233 L239 F249L53-Y229 HydrophobicContact CD1-CE2 4.49Å; E55-Y229 HydrophobicContact CB-CD1 3.99Å; E55-Y229 HydrophobicContact CB-CD2 3.76Å; E55-Y229 HydrophobicContact CB-CE2 4.38Å; E55-Y229 HydrophobicContact CB-CG 3.57Å; E55-Y229 HydrophobicContact CG-CG 4.41Å; E56-Y229 HydrophobicContact CG-CE1 4.48Å; E56-Y229 HydrophobicContact CG-CE2 3.91Å; E56-Y229 WeakPolarHBondContact CG-OH 3.29Å; L59-Y229 HydrophobicContact CB-CE1 4.41Å; L59-Y229 HydrophobicContact CD2-CD1 4.5Å; L59-Y229 HydrophobicContact CD2-CE1 3.78Å; R225-Y229 VanDerWaalsContact O-CB 3.27Å; R225-Y229 WeakPolarHBondContact O-CB 3.28Å; R225-Y229 PolarHBondContact O-N 3.38Å; Y226-Y229 PolarHBondContact O-N 2.93Å; Y229-L232 PolarHBondContact O-N 3.02Å; Y229-W233 HydrophobicContact CE1-CB 4.26Å; Y229-W233 VanDerWaalsContact O-CB 3.28Å; Y229-W233 WeakPolarHBondContact O-CB 3.41Å; Y229-W233 PolarHBondContact O-N 3.44Å; Y229-L239 HydrophobicContact CD2-CB 3.99Å; Y229-L239 HydrophobicContact CD2-CD1 4.1Å; Y229-L239 HydrophobicContact CD2-CD2 3.98Å; Y229-L239 HydrophobicContact CD2-CG 4.26Å; Y229-L239 HydrophobicContact CE2-CB 3.56Å; Y229-L239 HydrophobicContact CE2-CD1 3.9Å; Y229-L239 HydrophobicContact CE2-CD2 4.37Å; Y229-L239 HydrophobicContact CE2-CG 4.16Å; Y229-L239 HydrophobicContact CG-CD1 4.5Å; Y229-F249 HydrophobicContact CD2-CD1 4.31Å; Y229-F249 AromaticContact CD2-CE1 3.9Å; Y229-F249 HydrophobicContact CD2-CE1 3.9Å; Y229-F249 HydrophobicContact CD2-CZ 4.07Å
230R97.9Very high97.3Very high92 Ų9247.1 Ų47.135%0.34725%0.248SC..Hα-helixtrans-62-48.7179.7179.3-178.7173.8161.65.8111.5L59 E62 Y226 S227 I228 L232 W233 E234L59-R230 HydrophobicContact CD1-CG 4.45Å; E62-R230 IonicContact OE1-CZ 3.07Å; E62-R230 IonicContact OE1-NH1 3.23Å; E62-R230 PolarHBondContact OE1-NH1 3.36Å; Y226-R230 WeakPolarHBondContact O-CB 3.34Å; Y226-R230 PolarHBondContact O-N 2.95Å; S227-R230 PolarHBondContact O-N 3.05Å; I228-R230 VanDerWaalsContact C-N 3.32Å; I228-R230 PolarHBondContact O-N 3.49Å; R230-L232 PolarHBondContact O-N 2.85Å; R230-W233 PolarHBondContact O-N 3.06Å; R230-E234 HydrophobicContact CG-CG 4.27Å; R230-E234 IonicContact CZ-OE1 2.67Å; R230-E234 IonicContact NE-OE1 3.94Å; R230-E234 PolarHBondContact NE-OE1 3.38Å; R230-E234 IonicContact NH2-OE1 3.58Å; R230-E234 PolarHBondContact NH2-OE1 3.27Å; R230-E234 WeakPolarHBondContact O-CB 3.37Å; R230-E234 WeakPolarHBondContact O-CG 3.44Å; R230-E234 PolarHBondContact O-N 2.85Å
231D98.1Very high97.3Very high23 Ų2344.6 Ų44.612%0.12324%0.236CC..Hα-helixtrans-60.6-44.5179.8-174.1101.7000111.6S227 I228 W233 E234 R235 V304 Y306S227-D231 PolarHBondContact O-N 3Å; I228-D231 PolarHBondContact O-N 3.09Å; D231-W233 PolarHBondContact O-N 3.47Å; D231-E234 PolarHBondContact O-N 3.39Å; D231-R235 VanDerWaalsContact O-CG 3.3Å; D231-R235 WeakPolarHBondContact O-CG 3.41Å; D231-R235 PolarHBondContact O-N 2.9Å; D231-R235 VanDerWaalsContact O-N 3.12Å; D231-R235 IonicContact OD1-NH2 2.59Å; D231-R235 IonicContact OD2-CZ 2.75Å; D231-R235 VanDerWaalsContact OD2-CZ 3.23Å; D231-R235 IonicContact OD2-NE 2.79Å; D231-R235 PolarHBondContact OD2-NE 2.97Å; D231-R235 IonicContact OD2-NH2 3.73Å; D231-R235 PolarHBondContact OD2-NH2 3.32Å; D231-V304 HydrophobicContact CB-CB 4.21Å; D231-V304 HydrophobicContact CB-CG2 3.59Å; D231-Y306 WeakPolarHBondContact OD2-CE2 3.06Å; D231-Y306 PolarHBondContact OD2-OH 2.81Å
232L98.1Very high97.3Very high6 Ų641.3 Ų41.33%0.03121%0.209CC..Hα-helixtrans-64.5-39.4175.5-74.1172.7000112.6I228 Y229 R230 R235 F237 L239 V251 Y306I228-L232 HydrophobicContact CG2-CD1 4.03Å; I228-L232 WeakPolarHBondContact O-CB 3.27Å; I228-L232 WeakPolarHBondContact O-CG 3.48Å; I228-L232 PolarHBondContact O-N 3.07Å; Y229-L232 PolarHBondContact O-N 3.02Å; R230-L232 PolarHBondContact O-N 2.85Å; L232-R235 PolarHBondContact O-N 3.42Å; L232-F237 HydrophobicContact CD2-CD2 4.09Å; L232-F237 WeakPolarHBondContact O-CB 3.41Å; L232-F237 WeakPolarHBondContact O-CD2 3.35Å; L232-F237 PolarHBondContact O-N 3.34Å; L232-F237 VanDerWaalsContact O-N 3.12Å; L232-L239 HydrophobicContact CB-CD1 4.04Å; L232-L239 HydrophobicContact CB-CD2 3.92Å; L232-L239 HydrophobicContact CB-CG 4.4Å; L232-L239 HydrophobicContact CD1-CD2 3.62Å; L232-L239 HydrophobicContact CG-CD2 4.42Å; L232-V251 HydrophobicContact CD1-CG2 3.87Å; L232-V251 HydrophobicContact CD2-CG1 4.33Å; L232-Y306 HydrophobicContact CD1-CE1 4.24Å; L232-Y306 HydrophobicContact CD2-CE1 3.71Å; L232-Y306 HydrophobicContact CG-CE1 3.99Å; L232-Y306 WeakPolarHBondContact CG-OH 3.35Å
233W97.9Very high97Very high56 Ų5644.1 Ų44.121%0.21224%0.241CC..Hα-helixtrans-67.3-42.2176.7175.684.8000112.1L26 L59 I63 Y229 R230 D231 R235 G236 L239L26-W233 PolarHBondContact O-NE1 3.48Å; L59-W233 HydrophobicContact CD1-CD2 4.39Å; L59-W233 HydrophobicContact CD1-CE3 3.91Å; L59-W233 HydrophobicContact CD1-CZ3 4.04Å; L59-W233 HydrophobicContact CD2-CB 4.35Å; L59-W233 HydrophobicContact CD2-CD2 3.4Å; L59-W233 VanDerWaalsContact CD2-CD2 3.4Å; L59-W233 HydrophobicContact CD2-CE3 3.8Å; L59-W233 HydrophobicContact CD2-CG 3.62Å; L59-W233 HydrophobicContact CD2-CH2 4.49Å; L59-W233 HydrophobicContact CD2-CZ2 4.15Å; L59-W233 HydrophobicContact CD2-CZ3 4.33Å; L59-W233 HydrophobicContact CG-CD2 4.47Å; L59-W233 HydrophobicContact CG-CE3 4.45Å; I63-W233 HydrophobicContact CD1-CH2 4.46Å; Y229-W233 HydrophobicContact CE1-CB 4.26Å; Y229-W233 VanDerWaalsContact O-CB 3.28Å; Y229-W233 WeakPolarHBondContact O-CB 3.41Å; Y229-W233 PolarHBondContact O-N 3.44Å; R230-W233 PolarHBondContact O-N 3.06Å; D231-W233 PolarHBondContact O-N 3.47Å; W233-R235 PolarHBondContact O-N 3.13Å; W233-G236 WeakPolarHBondContact O-CA 3.3Å; W233-G236 PolarHBondContact O-N 3.39Å; W233-L239 HydrophobicContact CB-CD1 4.15Å
234E97.3Very high96.7Very high112 Ų11250.3 Ų50.352%0.52327%0.267SS..Hα-helixtrans-62-28.4175.7-74.7178175.100111.8R230 D231 G236R230-E234 HydrophobicContact CG-CG 4.27Å; R230-E234 IonicContact CZ-OE1 2.67Å; R230-E234 IonicContact NE-OE1 3.94Å; R230-E234 PolarHBondContact NE-OE1 3.38Å; R230-E234 IonicContact NH2-OE1 3.58Å; R230-E234 PolarHBondContact NH2-OE1 3.27Å; R230-E234 WeakPolarHBondContact O-CB 3.37Å; R230-E234 WeakPolarHBondContact O-CG 3.44Å; R230-E234 PolarHBondContact O-N 2.85Å; D231-E234 PolarHBondContact O-N 3.39Å; E234-G236 PolarHBondContact O-N 2.82Å
235R96.7Very high96.4Very high142 Ų14251.6 Ų51.654%0.53627%0.271SS..THydrogen-bonded Turntrans-77.1-0.8171-67.5173-165.6-1091.1114.4D231 L232 W233 F237D231-R235 VanDerWaalsContact O-CG 3.3Å; D231-R235 WeakPolarHBondContact O-CG 3.41Å; D231-R235 PolarHBondContact O-N 2.9Å; D231-R235 VanDerWaalsContact O-N 3.12Å; D231-R235 IonicContact OD1-NH2 2.59Å; D231-R235 IonicContact OD2-CZ 2.75Å; D231-R235 VanDerWaalsContact OD2-CZ 3.23Å; D231-R235 IonicContact OD2-NE 2.79Å; D231-R235 PolarHBondContact OD2-NE 2.97Å; D231-R235 IonicContact OD2-NH2 3.73Å; D231-R235 PolarHBondContact OD2-NH2 3.32Å; L232-R235 PolarHBondContact O-N 3.42Å; W233-R235 PolarHBondContact O-N 3.13Å; R235-F237 HydrophobicContact CB-CD2 3.79Å; R235-F237 HydrophobicContact CB-CE2 3.88Å
236G96.8Very high96Very high50 Ų5050.4 Ų50.452%0.51528%0.277SS..THydrogen-bonded Turntrans87.311.1177.400000115.1W233 E234W233-G236 WeakPolarHBondContact O-CA 3.3Å; W233-G236 PolarHBondContact O-N 3.39Å; E234-G236 PolarHBondContact O-N 2.82Å
237F98.1Very high95.8Very high54 Ų5450.6 Ų50.624%0.23728%0.282CS..  trans-80.5146.4174.8-64.7-77.7000111.7L232 R235 V251 Y252L232-F237 HydrophobicContact CD2-CD2 4.09Å; L232-F237 WeakPolarHBondContact O-CB 3.41Å; L232-F237 WeakPolarHBondContact O-CD2 3.35Å; L232-F237 PolarHBondContact O-N 3.34Å; L232-F237 VanDerWaalsContact O-N 3.12Å; R235-F237 HydrophobicContact CB-CD2 3.79Å; R235-F237 HydrophobicContact CB-CE2 3.88Å; F237-V251 HydrophobicContact CB-CG1 3.65Å; F237-V251 HydrophobicContact CD1-CG1 3.69Å; F237-V251 HydrophobicContact CD2-CG1 4.32Å; F237-V251 HydrophobicContact CE1-CG1 4.44Å; F237-V251 HydrophobicContact CG-CG1 3.63Å; F237-Y252 WeakPolarHBondContact CA-O 3.43Å; F237-Y252 WeakPolarHBondContact CD1-O 3.24Å
238F98.1Very high95.8Very high27 Ų2750.9 Ų50.912%0.11828%0.28CS..EExtended strand (participates in β ladder)trans-88.5144.8163.7-80-111.4000109.4G27 Y252 G254 D255 P256G27-F238 VanDerWaalsContact C-CE1 3.46Å; G27-F238 VanDerWaalsContact CA-CZ 3.49Å; G27-F238 VanDerWaalsContact O-CD1 3.31Å; G27-F238 WeakPolarHBondContact O-CD1 3.49Å; G27-F238 WeakPolarHBondContact O-CE1 3.39Å; F238-Y252 PolarHBondContact N-O 2.79Å; F238-Y252 WeakPolarHBondContact O-CD2 3.16Å; F238-Y252 PolarHBondContact O-N 3.42Å; F238-G254 WeakPolarHBondContact CB-O 3.37Å; F238-D255 HydrophobicContact CE1-CB 4.31Å; F238-D255 HydrophobicContact CZ-CB 4.21Å; F238-P256 HydrophobicContact CB-CG 4.09Å; F238-P256 HydrophobicContact CD1-CG 4.46Å
239L98.2Very high95.8Very high3 Ų350.9 Ų50.92%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-124.3146.4178.7-60.4103000111.4Y229 L232 W233 F249 L250Y229-L239 HydrophobicContact CD2-CB 3.99Å; Y229-L239 HydrophobicContact CD2-CD1 4.1Å; Y229-L239 HydrophobicContact CD2-CD2 3.98Å; Y229-L239 HydrophobicContact CD2-CG 4.26Å; Y229-L239 HydrophobicContact CE2-CB 3.56Å; Y229-L239 HydrophobicContact CE2-CD1 3.9Å; Y229-L239 HydrophobicContact CE2-CD2 4.37Å; Y229-L239 HydrophobicContact CE2-CG 4.16Å; Y229-L239 HydrophobicContact CG-CD1 4.5Å; L232-L239 HydrophobicContact CB-CD1 4.04Å; L232-L239 HydrophobicContact CB-CD2 3.92Å; L232-L239 HydrophobicContact CB-CG 4.4Å; L232-L239 HydrophobicContact CD1-CD2 3.62Å; L232-L239 HydrophobicContact CG-CD2 4.42Å; W233-L239 HydrophobicContact CB-CD1 4.15Å; L239-F249 HydrophobicContact CD2-CB 3.83Å; L239-F249 HydrophobicContact CD2-CD1 4.47Å; L239-F249 HydrophobicContact CD2-CD2 4.15Å; L239-F249 HydrophobicContact CD2-CG 3.91Å; L239-L250 VanDerWaalsContact CA-O 3.29Å; L239-L250 WeakPolarHBondContact CA-O 3.47Å
240S96.5Very high95.8Very high31 Ų3151.3 Ų51.322%0.21728%0.282CS..EExtended strand (participates in β ladder)trans-141.6167.1168.681.60000110.6A242 F249 L250 Y252S240-A242 PolarHBondContact O-N 3.43Å; S240-F249 CarbonylContact O-C 3.36Å; S240-F249 VanDerWaalsContact O-CA 3.24Å; S240-F249 WeakPolarHBondContact O-CA 3.5Å; S240-L250 PolarHBondContact N-O 2.94Å; S240-L250 VanDerWaalsContact N-O 3.09Å; S240-L250 PolarHBondContact O-N 2.85Å; S240-Y252 WeakPolarHBondContact OG-CE2 3.2Å; S240-Y252 PolarHBondContact OG-OH 3.18Å; S240-Y252 VanDerWaalsContact OG-OH 3.07Å
241A95.7Very high95.8Very high57 Ų5747 Ų4747%0.47127%0.266SS..EExtended strand (participates in β ladder)trans-64.4130.7179.100000112.5L53L53-A241 HydrophobicContact CD2-CB 4Å
242A95.1Very high95.8Very high0 Ų047.1 Ų47.10%027%0.265CS..  trans-102.215.8178.500000115.2S240 K244 F245 G246 G247 D248 F249 L250 I264S240-A242 PolarHBondContact O-N 3.43Å; A242-K244 PolarHBondContact O-N 2.68Å; A242-F245 CarbonylContact O-C 3.57Å; A242-F245 WeakPolarHBondContact O-CA 3.41Å; A242-F245 PolarHBondContact O-N 2.96Å; A242-G246 PolarHBondContact O-N 3.27Å; A242-G247 CarbonylContact C-O 3.58Å; A242-G247 WeakPolarHBondContact CB-O 3.41Å; A242-G247 PolarHBondContact O-N 2.92Å; A242-D248 PolarHBondContact N-O 3.18Å; A242-D248 VanDerWaalsContact N-O 3.08Å; A242-F249 WeakPolarHBondContact CB-O 3.24Å; A242-L250 HydrophobicContact CB-CD2 4.02Å; A242-L250 HydrophobicContact CB-CG 3.81Å; A242-I264 HydrophobicContact CB-CG2 4.34Å
243G90.4Very high95.7Very high68 Ų6849.3 Ų49.370%0.70128%0.28SS*.G310 helixtrans-54.7-29-176.300000114.7F245 G247G243-F245 VanDerWaalsContact C-N 3.25Å; G243-F245 PolarHBondContact O-N 3.2Å; G243-G247 PolarHBondContact N-O 3.41Å
244K88.8Confident95.6Very high195 Ų19547 Ų4785%0.84827%0.274SS*.G310 helixtrans-73-14175.1-64.3-176.5178.9-176.40114.4A242A242-K244 PolarHBondContact O-N 2.68Å
245F90.4Very high95.4Very high60 Ų6042.9 Ų42.926%0.26326%0.255SS..G310 helixtrans-117.18.4-173.6-59.8-81.7000112.2A242 G243 L250 I264 V289A242-F245 CarbonylContact O-C 3.57Å; A242-F245 WeakPolarHBondContact O-CA 3.41Å; A242-F245 PolarHBondContact O-N 2.96Å; G243-F245 VanDerWaalsContact C-N 3.25Å; G243-F245 PolarHBondContact O-N 3.2Å; F245-L250 HydrophobicContact CB-CD2 4.39Å; F245-L250 HydrophobicContact CD2-CD1 3.82Å; F245-L250 HydrophobicContact CD2-CD2 3.82Å; F245-L250 HydrophobicContact CD2-CG 4.09Å; F245-L250 HydrophobicContact CE2-CD1 3.66Å; F245-L250 HydrophobicContact CE2-CD2 4.35Å; F245-L250 HydrophobicContact CE2-CG 4.43Å; F245-L250 HydrophobicContact CG-CD2 4.13Å; F245-I264 HydrophobicContact CB-CD1 3.9Å; F245-I264 HydrophobicContact CB-CG1 4.15Å; F245-V289 HydrophobicContact CD1-CB 4.26Å; F245-V289 HydrophobicContact CD1-CG1 3.89Å; F245-V289 HydrophobicContact CD1-CG2 3.94Å; F245-V289 HydrophobicContact CE1-CB 4.3Å; F245-V289 HydrophobicContact CE1-CG1 3.93Å; F245-V289 HydrophobicContact CE1-CG2 4.42Å
246G90.4Very high95.2Very high34 Ų3438 Ų3835%0.35124%0.242SC..THydrogen-bonded Turntrans6933.5-178.900000113.8A242 Q266A242-G246 PolarHBondContact O-N 3.27Å; G246-Q266 PolarHBondContact O-NE2 2.98Å
247G94.1Very high94.8Very high13 Ų1340 Ų4013%0.13424%0.24CC..SBendtrans-139.3177.2172.300000112.8A242 G243A242-G247 CarbonylContact C-O 3.58Å; A242-G247 WeakPolarHBondContact CB-O 3.41Å; A242-G247 PolarHBondContact O-N 2.92Å; G243-G247 PolarHBondContact N-O 3.41Å
248D97Very high94.4Very high45 Ų4547.6 Ų47.624%0.24127%0.268CS..SBendtrans-80.2-49.1176-68-74.6000111.3R225 A242 A265 Q266 C267R225-D248 WeakPolarHBondContact CD-OD1 3.49Å; R225-D248 IonicContact NE-OD1 3.05Å; R225-D248 PolarHBondContact NE-OD1 3.16Å; A242-D248 PolarHBondContact N-O 3.18Å; A242-D248 VanDerWaalsContact N-O 3.08Å; D248-A265 PolarHBondContact N-O 3.31Å; D248-Q266 WeakPolarHBondContact OD2-CA 3.42Å; D248-C267 PolarHBondContact OD2-N 3.29Å
249F98.3Very high94.2Very high0 Ų050.8 Ų50.80%028%0.282CS..EExtended strand (participates in β ladder)trans-130.8143-177.1-51.1-65.6000113.3L53 E55 R225 Y229 L239 S240 A242 A265L53-F249 HydrophobicContact CD1-CD1 4.28Å; L53-F249 HydrophobicContact CD1-CE1 4.13Å; E55-F249 HydrophobicContact CG-CZ 4.04Å; R225-F249 HydrophobicContact CB-CE2 4.27Å; R225-F249 HydrophobicContact CB-CZ 4.04Å; Y229-F249 HydrophobicContact CD2-CD1 4.31Å; Y229-F249 AromaticContact CD2-CE1 3.9Å; Y229-F249 HydrophobicContact CD2-CE1 3.9Å; Y229-F249 HydrophobicContact CD2-CZ 4.07Å; L239-F249 HydrophobicContact CD2-CB 3.83Å; L239-F249 HydrophobicContact CD2-CD1 4.47Å; L239-F249 HydrophobicContact CD2-CD2 4.15Å; L239-F249 HydrophobicContact CD2-CG 3.91Å; S240-F249 CarbonylContact O-C 3.36Å; S240-F249 VanDerWaalsContact O-CA 3.24Å; S240-F249 WeakPolarHBondContact O-CA 3.5Å; A242-F249 WeakPolarHBondContact CB-O 3.24Å; F249-A265 HydrophobicContact CB-CB 4.24Å; F249-A265 PolarHBondContact N-O 2.77Å; F249-A265 PolarHBondContact O-N 3.3Å
250L97.6Very high94Very high9 Ų958.3 Ų58.35%0.04732%0.316CS..EExtended strand (participates in β ladder)trans-90130.3160.4-73.6-179000107L239 S240 A242 F245 Y252 A261 I264 K291L239-L250 VanDerWaalsContact CA-O 3.29Å; L239-L250 WeakPolarHBondContact CA-O 3.47Å; S240-L250 PolarHBondContact N-O 2.94Å; S240-L250 VanDerWaalsContact N-O 3.09Å; S240-L250 PolarHBondContact O-N 2.85Å; A242-L250 HydrophobicContact CB-CD2 4.02Å; A242-L250 HydrophobicContact CB-CG 3.81Å; F245-L250 HydrophobicContact CB-CD2 4.39Å; F245-L250 HydrophobicContact CD2-CD1 3.82Å; F245-L250 HydrophobicContact CD2-CD2 3.82Å; F245-L250 HydrophobicContact CD2-CG 4.09Å; F245-L250 HydrophobicContact CE2-CD1 3.66Å; F245-L250 HydrophobicContact CE2-CD2 4.35Å; F245-L250 HydrophobicContact CE2-CG 4.43Å; F245-L250 HydrophobicContact CG-CD2 4.13Å; L250-Y252 HydrophobicContact CB-CD2 4.28Å; L250-Y252 HydrophobicContact CB-CE2 3.43Å; L250-Y252 VanDerWaalsContact CB-CE2 3.43Å; L250-Y252 HydrophobicContact CD1-CE2 4.41Å; L250-Y252 VanDerWaalsContact CD1-OH 3.24Å; L250-Y252 WeakPolarHBondContact CD1-OH 3.36Å; L250-Y252 WeakPolarHBondContact O-CD2 3.35Å; L250-Y252 WeakPolarHBondContact O-CE2 3.36Å; L250-A261 HydrophobicContact CB-CB 3.83Å; L250-A261 HydrophobicContact CD1-CB 4.31Å; L250-A261 HydrophobicContact CD2-CB 3.98Å; L250-A261 HydrophobicContact CG-CB 4.27Å; L250-I264 HydrophobicContact CD2-CG1 3.89Å; L250-K291 HydrophobicContact CD2-CD 4.15Å
251V98.2Very high94Very high1 Ų157.1 Ų57.11%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-109.9124.4-177.9-169.60000109.1L232 F237 A261 H262 Y263 A265L232-V251 HydrophobicContact CD1-CG2 3.87Å; L232-V251 HydrophobicContact CD2-CG1 4.33Å; F237-V251 HydrophobicContact CB-CG1 3.65Å; F237-V251 HydrophobicContact CD1-CG1 3.69Å; F237-V251 HydrophobicContact CD2-CG1 4.32Å; F237-V251 HydrophobicContact CE1-CG1 4.44Å; F237-V251 HydrophobicContact CG-CG1 3.63Å; V251-A261 CarbonylContact O-C 3.27Å; V251-A261 WeakPolarHBondContact O-CA 3.27Å; V251-H262 PolarHBondContact O-N 2.79Å; V251-Y263 HydrophobicContact CB-CD2 4.05Å; V251-Y263 HydrophobicContact CG1-CD2 4.18Å; V251-Y263 PolarHBondContact N-O 3.09Å; V251-Y263 PolarHBondContact O-N 2.9Å; V251-A265 HydrophobicContact CG2-CB 3.88Å
252Y97.9Very high93.9Very high27 Ų2758.9 Ų58.911%0.10631%0.307CS..EExtended strand (participates in β ladder)trans-117.9137.6-174.9-56.5-109.6000109.6F237 F238 S240 L250 G254 P256 F259 A261F237-Y252 WeakPolarHBondContact CA-O 3.43Å; F237-Y252 WeakPolarHBondContact CD1-O 3.24Å; F238-Y252 PolarHBondContact N-O 2.79Å; F238-Y252 WeakPolarHBondContact O-CD2 3.16Å; F238-Y252 PolarHBondContact O-N 3.42Å; S240-Y252 WeakPolarHBondContact OG-CE2 3.2Å; S240-Y252 PolarHBondContact OG-OH 3.18Å; S240-Y252 VanDerWaalsContact OG-OH 3.07Å; L250-Y252 HydrophobicContact CB-CD2 4.28Å; L250-Y252 HydrophobicContact CB-CE2 3.43Å; L250-Y252 VanDerWaalsContact CB-CE2 3.43Å; L250-Y252 HydrophobicContact CD1-CE2 4.41Å; L250-Y252 VanDerWaalsContact CD1-OH 3.24Å; L250-Y252 WeakPolarHBondContact CD1-OH 3.36Å; L250-Y252 WeakPolarHBondContact O-CD2 3.35Å; L250-Y252 WeakPolarHBondContact O-CE2 3.36Å; Y252-G254 WeakPolarHBondContact CB-O 3.4Å; Y252-G254 PolarHBondContact O-N 2.99Å; Y252-G254 VanDerWaalsContact O-N 3.1Å; Y252-P256 HydrophobicContact CD1-CB 3.92Å; Y252-P256 HydrophobicContact CD1-CG 4.01Å; Y252-P256 HydrophobicContact CD2-CG 3.89Å; Y252-P256 HydrophobicContact CE1-CB 3.68Å; Y252-P256 HydrophobicContact CE1-CG 4.09Å; Y252-P256 HydrophobicContact CE2-CB 4.34Å; Y252-P256 HydrophobicContact CE2-CG 3.98Å; Y252-P256 HydrophobicContact CG-CB 4.35Å; Y252-P256 HydrophobicContact CG-CG 3.91Å; Y252-F259 WeakPolarHBondContact CD1-O 3.4Å; Y252-A261 HydrophobicContact CD1-CB 3.88Å; Y252-A261 HydrophobicContact CD2-CB 4.21Å; Y252-A261 HydrophobicContact CE1-CB 3.68Å; Y252-A261 VanDerWaalsContact CE1-N 3.35Å; Y252-A261 HydrophobicContact CE2-CB 4.02Å; Y252-A261 HydrophobicContact CG-CB 4.14Å
253P97.1Very high94Very high51 Ų5162.3 Ų62.333%0.33132%0.32SS..SBendtrans-68.4-5.6176.532.9-39.7000113.6F259P253-F259 HydrophobicContact CG-CB 4.11Å; P253-F259 HydrophobicContact CG-CD1 3.74Å; P253-F259 HydrophobicContact CG-CE1 4.49Å; P253-F259 HydrophobicContact CG-CG 4.11Å
254G95.1Very high94.3Very high9 Ų959.1 Ų59.19%0.09329%0.287CS..SBendtrans-172.5-166.5178.800000110.4F238 Y252 P256F238-G254 WeakPolarHBondContact CB-O 3.37Å; Y252-G254 WeakPolarHBondContact CB-O 3.4Å; Y252-G254 PolarHBondContact O-N 2.99Å; Y252-G254 VanDerWaalsContact O-N 3.1Å; G254-P256 WeakPolarHBondContact O-CD 3.44Å
255D92.9Very high94.7Very high25 Ų2549.8 Ų49.813%0.13425%0.246CC..  trans-52.4124.3-175.8-174.1-29.3000112.2R23 F238 L257 R258 F259R23-D255 WeakPolarHBondContact CD-OD2 3.5Å; R23-D255 WeakPolarHBondContact CG-OD2 3.42Å; R23-D255 IonicContact CZ-OD1 2.74Å; R23-D255 IonicContact CZ-OD2 3.7Å; R23-D255 IonicContact NE-OD2 3.83Å; R23-D255 IonicContact NH1-OD1 2.85Å; R23-D255 PolarHBondContact NH1-OD1 3.01Å; R23-D255 IonicContact NH1-OD2 2.8Å; R23-D255 PolarHBondContact NH1-OD2 3.15Å; F238-D255 HydrophobicContact CE1-CB 4.31Å; F238-D255 HydrophobicContact CZ-CB 4.21Å; D255-L257 PolarHBondContact O-N 2.77Å; D255-L257 WeakPolarHBondContact OD1-CB 3.48Å; D255-L257 PolarHBondContact OD1-N 3.34Å; D255-R258 PolarHBondContact O-N 3.21Å; D255-F259 WeakPolarHBondContact O-CD2 3.46Å; D255-F259 PolarHBondContact O-N 2.85Å
256P92.3Very high95Very high39 Ų3947.9 Ų47.925%0.25324%0.238SC..THydrogen-bonded Turntrans-55.2-15.2176.3-27.835.6000116.4F238 Y252 G254 R258F238-P256 HydrophobicContact CB-CG 4.09Å; F238-P256 HydrophobicContact CD1-CG 4.46Å; Y252-P256 HydrophobicContact CD1-CB 3.92Å; Y252-P256 HydrophobicContact CD1-CG 4.01Å; Y252-P256 HydrophobicContact CD2-CG 3.89Å; Y252-P256 HydrophobicContact CE1-CB 3.68Å; Y252-P256 HydrophobicContact CE1-CG 4.09Å; Y252-P256 HydrophobicContact CE2-CB 4.34Å; Y252-P256 HydrophobicContact CE2-CG 3.98Å; Y252-P256 HydrophobicContact CG-CB 4.35Å; Y252-P256 HydrophobicContact CG-CG 3.91Å; G254-P256 WeakPolarHBondContact O-CD 3.44Å; P256-R258 VanDerWaalsContact C-N 3.34Å
257L88.6Confident95.3Very high92 Ų9247 Ų4748%0.48223%0.226SC..THydrogen-bonded Turntrans-76.4-21.6170.9-73-177.3000113.2R45 D255R45-L257 HydrophobicContact CG-CD2 4.1Å; D255-L257 PolarHBondContact O-N 2.77Å; D255-L257 WeakPolarHBondContact OD1-CB 3.48Å; D255-L257 PolarHBondContact OD1-N 3.34Å
258R90.4Very high95.4Very high214 Ų21448.3 Ų48.381%0.80823%0.227SC*.THydrogen-bonded Turntrans-114-26.3-177.1-59.7-177.4-174.8-167.51.9112.7D255 P256D255-R258 PolarHBondContact O-N 3.21Å; P256-R258 VanDerWaalsContact C-N 3.34Å
259F93.2Very high95.2Very high94 Ų9447.8 Ų47.841%0.41223%0.229SC..  trans-118.9148.4-174.7-64.7-90000111.9Y252 P253 D255Y252-F259 WeakPolarHBondContact CD1-O 3.4Å; P253-F259 HydrophobicContact CG-CB 4.11Å; P253-F259 HydrophobicContact CG-CD1 3.74Å; P253-F259 HydrophobicContact CG-CE1 4.49Å; P253-F259 HydrophobicContact CG-CG 4.11Å; D255-F259 WeakPolarHBondContact O-CD2 3.46Å; D255-F259 PolarHBondContact O-N 2.85Å
260H93.9Very high94.8Very high160 Ų16050 Ų5074%0.74125%0.248SC*.  trans-86.5147.9166.6-64.5-56000110.3H262H260-H262 PolarHBondContact O-CD2 3.33Å; H260-H262 PolarHBondContact O-N 2.79Å
261A95.7Very high94.3Very high6 Ų657.1 Ų57.15%0.0529%0.286CS..  trans-63.6130.7173.600000109.9L250 V251 Y252 K291L250-A261 HydrophobicContact CB-CB 3.83Å; L250-A261 HydrophobicContact CD1-CB 4.31Å; L250-A261 HydrophobicContact CD2-CB 3.98Å; L250-A261 HydrophobicContact CG-CB 4.27Å; V251-A261 CarbonylContact O-C 3.27Å; V251-A261 WeakPolarHBondContact O-CA 3.27Å; Y252-A261 HydrophobicContact CD1-CB 3.88Å; Y252-A261 HydrophobicContact CD2-CB 4.21Å; Y252-A261 HydrophobicContact CE1-CB 3.68Å; Y252-A261 VanDerWaalsContact CE1-N 3.35Å; Y252-A261 HydrophobicContact CE2-CB 4.02Å; Y252-A261 HydrophobicContact CG-CB 4.14Å; A261-K291 HydrophobicContact CB-CD 4.14Å; A261-K291 PolarHBondContact O-NZ 3.49Å
262H94.9Very high94Very high95 Ų9561.2 Ų61.244%0.4431%0.307SS..  trans-86.2-35.6174.6-71.4-174.9000111V251 H260 T292V251-H262 PolarHBondContact O-N 2.79Å; H260-H262 PolarHBondContact O-CD2 3.33Å; H260-H262 PolarHBondContact O-N 2.79Å; H262-T292 PolarHBondContact O-N 3.08Å; H262-T292 VanDerWaalsContact O-N 3.09Å
263Y96.6Very high93.7Very high71 Ų7165.2 Ų65.228%0.27834%0.337SS..EExtended strand (participates in β ladder)trans-122.9150.7-172.6-44.8-79.1000112.8V251 T292 L294V251-Y263 HydrophobicContact CB-CD2 4.05Å; V251-Y263 HydrophobicContact CG1-CD2 4.18Å; V251-Y263 PolarHBondContact N-O 3.09Å; V251-Y263 PolarHBondContact O-N 2.9Å; Y263-T292 CarbonylContact C-O 3.6Å; Y263-T292 WeakPolarHBondContact CA-O 3.25Å; Y263-T292 HydrophobicContact CD1-CG2 4.17Å; Y263-T292 HydrophobicContact CE1-CG2 4.39Å; Y263-L294 VanDerWaalsContact CB-CD1 3.5Å; Y263-L294 HydrophobicContact CD1-CD1 3.62Å; Y263-L294 HydrophobicContact CD1-CD2 4.01Å; Y263-L294 HydrophobicContact CD1-CG 3.71Å; Y263-L294 HydrophobicContact CD2-CD1 3.98Å; Y263-L294 HydrophobicContact CE1-CD1 4.35Å; Y263-L294 HydrophobicContact CE1-CD2 4.45Å; Y263-L294 HydrophobicContact CG-CD1 3.42Å; Y263-L294 VanDerWaalsContact CG-CD1 3.42Å; Y263-L294 HydrophobicContact CG-CG 3.91Å
264I97.1Very high93.5Very high1 Ų165.8 Ų65.81%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-108.4113.2162.1-61.2160.9000105.8A242 F245 L250 V289 K291 T292 L293 L294A242-I264 HydrophobicContact CB-CG2 4.34Å; F245-I264 HydrophobicContact CB-CD1 3.9Å; F245-I264 HydrophobicContact CB-CG1 4.15Å; L250-I264 HydrophobicContact CD2-CG1 3.89Å; I264-V289 HydrophobicContact CD1-CG2 3.87Å; I264-K291 HydrophobicContact CD1-CB 3.82Å; I264-K291 HydrophobicContact CD1-CD 4.25Å; I264-K291 HydrophobicContact CG1-CB 3.91Å; I264-K291 HydrophobicContact CG1-CD 3.97Å; I264-T292 PolarHBondContact N-O 3.35Å; I264-L293 HydrophobicContact CB-CD1 4.35Å; I264-L293 HydrophobicContact CG2-CD1 4.21Å; I264-L293 CarbonylContact O-C 3.59Å; I264-L293 WeakPolarHBondContact O-CA 3.41Å; I264-L294 PolarHBondContact O-N 3.33Å
265A97.7Very high93.4Very high0 Ų068.4 Ų68.40%035%0.352CS..EExtended strand (participates in β ladder)trans-91.5132.9178.300000110.7D248 F249 V251 L294D248-A265 PolarHBondContact N-O 3.31Å; F249-A265 HydrophobicContact CB-CB 4.24Å; F249-A265 PolarHBondContact N-O 2.77Å; F249-A265 PolarHBondContact O-N 3.3Å; V251-A265 HydrophobicContact CG2-CB 3.88Å; A265-L294 CarbonylContact C-O 3.59Å; A265-L294 WeakPolarHBondContact CA-O 3.41Å
266Q96.3Very high93.3Very high19 Ų1973.5 Ų73.59%0.08938%0.378CS..EExtended strand (participates in β ladder)trans-115.8130.2168.2-71.3-176.74.500109.7G246 D248 L293 L294 L295 C296G246-Q266 PolarHBondContact O-NE2 2.98Å; D248-Q266 WeakPolarHBondContact OD2-CA 3.42Å; Q266-L293 HydrophobicContact CG-CD1 3.97Å; Q266-L294 PolarHBondContact N-O 2.81Å; Q266-L295 HydrophobicContact CB-CD2 4.41Å; Q266-C296 WeakPolarHBondContact O-CB 3.32Å; Q266-C296 PolarHBondContact O-N 3.16Å
267C96.8Very high93.4Very high15 Ų1579.2 Ų79.210%0.10140%0.402CS..EExtended strand (participates in β ladder)trans-94.1118.5-176.2-57.70000109.9L224 R225 I228 D248L224-C267 HydrophobicContact CD2-CB 4.41Å; L224-C267 HydrophobicContact CG-CB 4.2Å; R225-C267 HydrophobicContact CG-CB 3.97Å; I228-C267 HydrophobicContact CD1-CB 3.44Å; I228-C267 VanDerWaalsContact CD1-CB 3.44Å; I228-C267 WeakPolarHBondContact CD1-SG 3.35Å; D248-C267 PolarHBondContact OD2-N 3.29Å
268W95.7Very high93.5Very high42 Ų4278.5 Ų78.516%0.15940%0.398CS..  trans-126.7136.6-180-66.891.3000109.5D272 I274 C296 S297W268-D272 HydrophobicContact CE3-CB 4.42Å; W268-I274 HydrophobicContact CD2-CD1 4.09Å; W268-I274 HydrophobicContact CD2-CG1 3.84Å; W268-I274 HydrophobicContact CE3-CG1 3.77Å; W268-I274 HydrophobicContact CG-CD1 4.19Å; W268-I274 HydrophobicContact CG-CG1 4.38Å; W268-I274 HydrophobicContact CH2-CB 4.42Å; W268-I274 HydrophobicContact CH2-CG1 4.38Å; W268-I274 HydrophobicContact CH2-CG2 3.93Å; W268-I274 HydrophobicContact CZ2-CG1 4.44Å; W268-I274 HydrophobicContact CZ2-CG2 3.9Å; W268-I274 HydrophobicContact CZ3-CB 4.38Å; W268-I274 HydrophobicContact CZ3-CG1 4.04Å; W268-I274 HydrophobicContact CZ3-CG2 4.39Å; W268-C296 PolarHBondContact N-O 3.38Å; W268-S297 VanDerWaalsContact O-CA 3.28Å; W268-S297 WeakPolarHBondContact O-CA 3.28Å; W268-S297 WeakPolarHBondContact O-CB 3.28Å; W268-S297 PolarHBondContact O-OG 3.32Å
269A94.1Very high93.4Very high34 Ų3471 Ų7128%0.28137%0.374SS..  trans-64.4149.7167.600000109.2D271 D272A269-D271 PolarHBondContact O-N 3.38Å; A269-D271 VanDerWaalsContact O-N 3.16Å; A269-D272 HydrophobicContact CB-CB 4.16Å; A269-D272 VanDerWaalsContact CB-OD2 3.28Å; A269-D272 WeakPolarHBondContact CB-OD2 3.46Å; A269-D272 PolarHBondContact O-N 2.74Å; A269-D272 VanDerWaalsContact O-N 3.13Å
270A88.9Confident93.3Very high47 Ų4769.7 Ų69.739%0.38837%0.373SS..THydrogen-bonded Turntrans-57.1-34.7-172.900000113.5
271D88Confident93.2Very high157 Ų15765 Ų6584%0.8436%0.359SS*.THydrogen-bonded Turntrans-101.82.9-176.5-55.8-50.9000113.2A269A269-D271 PolarHBondContact O-N 3.38Å; A269-D271 VanDerWaalsContact O-N 3.16Å
272D90.6Very high92.8Very high87 Ų8764.9 Ų64.947%0.46536%0.358SS..  trans-74.4125.9-179.4-81.8-10.1000110.1W268 A269 I274W268-D272 HydrophobicContact CE3-CB 4.42Å; A269-D272 HydrophobicContact CB-CB 4.16Å; A269-D272 VanDerWaalsContact CB-OD2 3.28Å; A269-D272 WeakPolarHBondContact CB-OD2 3.46Å; A269-D272 PolarHBondContact O-N 2.74Å; A269-D272 VanDerWaalsContact O-N 3.13Å; D272-I274 PolarHBondContact O-N 2.92Å
273P92.4Very high92.5Very high112 Ų11261 Ų6173%0.72734%0.343SS*.  trans-66.4131.4174.227.8-33.2000109.7P275P273-P275 WeakPolarHBondContact O-CD 3.49Å
274I91.9Very high92.1Very high63 Ų6366.8 Ų66.832%0.32336%0.364SS..  trans-91.2115.2175.3-55.3179.9000108.5W268 D272 L276 L279 L295W268-I274 HydrophobicContact CD2-CD1 4.09Å; W268-I274 HydrophobicContact CD2-CG1 3.84Å; W268-I274 HydrophobicContact CE3-CG1 3.77Å; W268-I274 HydrophobicContact CG-CD1 4.19Å; W268-I274 HydrophobicContact CG-CG1 4.38Å; W268-I274 HydrophobicContact CH2-CB 4.42Å; W268-I274 HydrophobicContact CH2-CG1 4.38Å; W268-I274 HydrophobicContact CH2-CG2 3.93Å; W268-I274 HydrophobicContact CZ2-CG1 4.44Å; W268-I274 HydrophobicContact CZ2-CG2 3.9Å; W268-I274 HydrophobicContact CZ3-CB 4.38Å; W268-I274 HydrophobicContact CZ3-CG1 4.04Å; W268-I274 HydrophobicContact CZ3-CG2 4.39Å; D272-I274 PolarHBondContact O-N 2.92Å; I274-L276 PolarHBondContact O-N 3.24Å; I274-L279 HydrophobicContact CG2-CB 4.38Å; I274-L295 HydrophobicContact CD1-CD1 3.69Å; I274-L295 HydrophobicContact CD1-CD2 4.43Å
275P92.9Very high91.7Very high64 Ų6470.2 Ų70.242%0.41638%0.382SS..  trans-60.5133.4175-2335.5000110.8P273 Q277 D278 L279P273-P275 WeakPolarHBondContact O-CD 3.49Å; P275-Q277 PolarHBondContact O-N 3.05Å; P275-Q277 VanDerWaalsContact O-N 3.13Å; P275-D278 HydrophobicContact CB-CB 4.35Å; P275-D278 WeakPolarHBondContact CD-OD2 3.44Å; P275-D278 VanDerWaalsContact CG-OD2 3.3Å; P275-D278 WeakPolarHBondContact CG-OD2 3.36Å; P275-D278 WeakPolarHBondContact O-CB 3.35Å; P275-D278 PolarHBondContact O-N 3.3Å; P275-L279 PolarHBondContact O-N 3.4Å; P275-L279 VanDerWaalsContact O-N 3.12Å
276L92Very high91.1Very high131 Ų13170.3 Ų70.369%0.68638%0.383SS*.Hα-helixtrans-57.6-33.5-179-177.561.5000112.4I274 D278 L279 V280I274-L276 PolarHBondContact O-N 3.24Å; L276-D278 VanDerWaalsContact C-N 3.33Å; L276-D278 PolarHBondContact O-N 2.89Å; L276-L279 HydrophobicContact CD1-CD2 4.26Å; L276-L279 WeakPolarHBondContact O-CB 3.38Å; L276-L279 PolarHBondContact O-N 3.42Å; L276-V280 HydrophobicContact CD1-CG2 4.47Å; L276-V280 VanDerWaalsContact O-CG2 3.32Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.31Å
277Q93.1Very high90.7Very high160 Ų16072.9 Ų72.975%0.74840%0.4SS*.Hα-helixtrans-64.7-37.8177-60.4-177.921.800112.2P275 S281P275-Q277 PolarHBondContact O-N 3.05Å; P275-Q277 VanDerWaalsContact O-N 3.13Å; Q277-S281 VanDerWaalsContact O-CB 3.28Å; Q277-S281 WeakPolarHBondContact O-CB 3.31Å; Q277-S281 PolarHBondContact O-N 3.21Å; Q277-S281 PolarHBondContact O-OG 3.27Å
278D90.4Very high90.2Very high76 Ų7676.2 Ų76.241%0.40642%0.424SS..Hα-helixtrans-68.8-41.3176.9-66.4-16.9000110.1P275 L276 S281 A282P275-D278 HydrophobicContact CB-CB 4.35Å; P275-D278 WeakPolarHBondContact CD-OD2 3.44Å; P275-D278 VanDerWaalsContact CG-OD2 3.3Å; P275-D278 WeakPolarHBondContact CG-OD2 3.36Å; P275-D278 WeakPolarHBondContact O-CB 3.35Å; P275-D278 PolarHBondContact O-N 3.3Å; L276-D278 VanDerWaalsContact C-N 3.33Å; L276-D278 PolarHBondContact O-N 2.89Å; D278-S281 PolarHBondContact O-N 2.98Å; D278-A282 WeakPolarHBondContact O-CB 3.48Å; D278-A282 PolarHBondContact O-N 2.97Å
279L90.1Very high89.9Confident56 Ų5676.6 Ų76.629%0.29343%0.431SS..Hα-helixtrans-60.1-47.5175.7-16970.8000112.1I274 P275 L276 A282 G283 L295 L309I274-L279 HydrophobicContact CG2-CB 4.38Å; P275-L279 PolarHBondContact O-N 3.4Å; P275-L279 VanDerWaalsContact O-N 3.12Å; L276-L279 HydrophobicContact CD1-CD2 4.26Å; L276-L279 WeakPolarHBondContact O-CB 3.38Å; L276-L279 PolarHBondContact O-N 3.42Å; L279-A282 PolarHBondContact O-N 3.12Å; L279-G283 PolarHBondContact O-N 3.41Å; L279-L295 HydrophobicContact CD1-CD1 4.33Å; L279-L309 HydrophobicContact CD1-CD1 3.29Å; L279-L309 HydrophobicContact CD1-CD2 4.3Å; L279-L309 HydrophobicContact CD1-CG 4.43Å; L279-L309 HydrophobicContact CG-CD1 4.47Å
280V91.2Very high89.7Confident67 Ų6786.3 Ų86.341%0.40646%0.46SS..Hα-helixtrans-63.5-44.2177.21710000110.9L276 G283 R284 W311L276-V280 HydrophobicContact CD1-CG2 4.47Å; L276-V280 VanDerWaalsContact O-CG2 3.32Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.31Å; V280-G283 PolarHBondContact O-N 2.88Å; V280-R284 WeakPolarHBondContact O-CB 3.35Å; V280-R284 PolarHBondContact O-N 2.96Å; V280-W311 HydrophobicContact CG1-CH2 4.24Å; V280-W311 HydrophobicContact CG1-CZ3 4.25Å
281S90Very high89.8Confident62 Ų6286 Ų8643%0.43445%0.45SS..Hα-helixtrans-62.6-44.8178.6-61.90000111.6Q277 D278 R284 L285Q277-S281 VanDerWaalsContact O-CB 3.28Å; Q277-S281 WeakPolarHBondContact O-CB 3.31Å; Q277-S281 PolarHBondContact O-N 3.21Å; Q277-S281 PolarHBondContact O-OG 3.27Å; D278-S281 PolarHBondContact O-N 2.98Å; S281-R284 PolarHBondContact O-N 2.87Å; S281-L285 WeakPolarHBondContact O-CG 3.47Å; S281-L285 PolarHBondContact O-N 2.85Å
282A88.2Confident90.1Very high4 Ų480.5 Ų80.53%0.03342%0.423CS..Hα-helixtrans-63.6-44.1177.800000111.9D278 L279 R284 L285 G286 L293D278-A282 WeakPolarHBondContact O-CB 3.48Å; D278-A282 PolarHBondContact O-N 2.97Å; L279-A282 PolarHBondContact O-N 3.12Å; A282-R284 PolarHBondContact O-N 2.83Å; A282-L285 PolarHBondContact O-N 2.81Å; A282-G286 PolarHBondContact O-N 3.42Å; A282-L293 HydrophobicContact CB-CD1 4.13Å; A282-L293 HydrophobicContact CB-CD2 3.32Å; A282-L293 HydrophobicContact CB-CG 4.39Å
283G88.9Confident90.3Very high12 Ų1276.6 Ų76.612%0.12440%0.401CS..Hα-helixtrans-60.4-43.3174.900000112.7L279 V280 T287L279-G283 PolarHBondContact O-N 3.41Å; V280-G283 PolarHBondContact O-N 2.88Å; G283-T287 WeakPolarHBondContact O-CB 3.38Å; G283-T287 PolarHBondContact O-N 2.74Å; G283-T287 PolarHBondContact O-OG1 3.42Å
284R88.3Confident90.5Very high193 Ų19372.1 Ų72.173%0.72837%0.371SS*.Hα-helixtrans-61.9-46.3175.5-178.3-179.2174.8-172-0.6112V280 S281 A282 S288V280-R284 WeakPolarHBondContact O-CB 3.35Å; V280-R284 PolarHBondContact O-N 2.96Å; S281-R284 PolarHBondContact O-N 2.87Å; A282-R284 PolarHBondContact O-N 2.83Å; R284-S288 PolarHBondContact O-N 2.7Å; R284-S288 VanDerWaalsContact O-N 3.09Å
285L87.7Confident90.7Very high73 Ų7370 Ų7038%0.38236%0.361SS..Hα-helixtrans-63.5-47.8179.8-72.8174.1000111.2S281 A282 T287 S288 V289S281-L285 WeakPolarHBondContact O-CG 3.47Å; S281-L285 PolarHBondContact O-N 2.85Å; A282-L285 PolarHBondContact O-N 2.81Å; L285-T287 PolarHBondContact O-N 3.06Å; L285-S288 PolarHBondContact O-N 3.09Å; L285-S288 PolarHBondContact O-OG 3.26Å; L285-V289 PolarHBondContact O-N 2.94Å
286G86Confident90.9Very high2 Ų267 Ų672%0.02134%0.341CS..Hα-helixtrans-58.9-45.2178.500000113A282 S288 V289 R290 K291A282-G286 PolarHBondContact O-N 3.42Å; G286-S288 VanDerWaalsContact C-N 3.34Å; G286-S288 PolarHBondContact O-N 2.89Å; G286-V289 PolarHBondContact O-N 2.92Å; G286-R290 PolarHBondContact O-N 2.85Å; G286-R290 VanDerWaalsContact O-N 3.12Å; G286-K291 CarbonylContact C-O 3.25Å; G286-K291 PolarHBondContact O-N 3.33Å
287T86.8Confident91.1Very high73 Ų7361.7 Ų61.745%0.44832%0.315SS..Hα-helixtrans-62.5-40.8178.8-530000111.8G283 L285 V289 R290 W311G283-T287 WeakPolarHBondContact O-CB 3.38Å; G283-T287 PolarHBondContact O-N 2.74Å; G283-T287 PolarHBondContact O-OG1 3.42Å; L285-T287 PolarHBondContact O-N 3.06Å; T287-V289 VanDerWaalsContact C-N 3.26Å; T287-V289 PolarHBondContact O-N 3.4Å; T287-R290 PolarHBondContact O-N 2.94Å; T287-W311 VanDerWaalsContact OG1-CB 3.3Å; T287-W311 WeakPolarHBondContact OG1-CB 3.47Å
288S87.1Confident91.2Very high86 Ų8655.6 Ų55.660%0.60129%0.289SS*.Hα-helixtrans-62.6-31.4-178.974.30000113.4R284 L285 G286R284-S288 PolarHBondContact O-N 2.7Å; R284-S288 VanDerWaalsContact O-N 3.09Å; L285-S288 PolarHBondContact O-N 3.09Å; L285-S288 PolarHBondContact O-OG 3.26Å; G286-S288 VanDerWaalsContact C-N 3.34Å; G286-S288 PolarHBondContact O-N 2.89Å
289V88.3Confident91.4Very high50 Ų5055.1 Ų55.130%0.30329%0.285SS..THydrogen-bonded Turntrans-104.910.4-179.9-58.60000113.7F245 I264 L285 G286 T287 K291F245-V289 HydrophobicContact CD1-CB 4.26Å; F245-V289 HydrophobicContact CD1-CG1 3.89Å; F245-V289 HydrophobicContact CD1-CG2 3.94Å; F245-V289 HydrophobicContact CE1-CB 4.3Å; F245-V289 HydrophobicContact CE1-CG1 3.93Å; F245-V289 HydrophobicContact CE1-CG2 4.42Å; I264-V289 HydrophobicContact CD1-CG2 3.87Å; L285-V289 PolarHBondContact O-N 2.94Å; G286-V289 PolarHBondContact O-N 2.92Å; T287-V289 VanDerWaalsContact C-N 3.26Å; T287-V289 PolarHBondContact O-N 3.4Å; V289-K291 VanDerWaalsContact C-N 3.33Å; V289-K291 HydrophobicContact CG2-CB 4.06Å; V289-K291 HydrophobicContact CG2-CD 4.04Å; V289-K291 HydrophobicContact CG2-CG 3.88Å; V289-K291 PolarHBondContact O-N 2.97Å
290R89.8Confident91.3Very high238 Ų23858.8 Ų58.890%0.89831%0.312SS*.THydrogen-bonded Turntrans51.348.5-177.9-58.5-178.7178.9178-1.4112.6G286 T287G286-R290 PolarHBondContact O-N 2.85Å; G286-R290 VanDerWaalsContact O-N 3.12Å; T287-R290 PolarHBondContact O-N 2.94Å
291K92.5Very high91.3Very high40 Ų4060.3 Ų60.317%0.17432%0.318CS..  trans-123.4142.4174.8-63.1-173.1-167.5-40.60110.2L250 A261 I264 G286 V289L250-K291 HydrophobicContact CD2-CD 4.15Å; A261-K291 HydrophobicContact CB-CD 4.14Å; A261-K291 PolarHBondContact O-NZ 3.49Å; I264-K291 HydrophobicContact CD1-CB 3.82Å; I264-K291 HydrophobicContact CD1-CD 4.25Å; I264-K291 HydrophobicContact CG1-CB 3.91Å; I264-K291 HydrophobicContact CG1-CD 3.97Å; G286-K291 CarbonylContact C-O 3.25Å; G286-K291 PolarHBondContact O-N 3.33Å; V289-K291 VanDerWaalsContact C-N 3.33Å; V289-K291 HydrophobicContact CG2-CB 4.06Å; V289-K291 HydrophobicContact CG2-CD 4.04Å; V289-K291 HydrophobicContact CG2-CG 3.88Å; V289-K291 PolarHBondContact O-N 2.97Å
292T94.2Very high91Very high42 Ų4260.4 Ų60.426%0.25833%0.328SS..EExtended strand (participates in β ladder)trans-78.6129175.1-59.80000109.3H262 Y263 I264H262-T292 PolarHBondContact O-N 3.08Å; H262-T292 VanDerWaalsContact O-N 3.09Å; Y263-T292 CarbonylContact C-O 3.6Å; Y263-T292 WeakPolarHBondContact CA-O 3.25Å; Y263-T292 HydrophobicContact CD1-CG2 4.17Å; Y263-T292 HydrophobicContact CE1-CG2 4.39Å; I264-T292 PolarHBondContact N-O 3.35Å
293L95.3Very high91.2Very high4 Ų466.6 Ų66.62%0.02135%0.354CS..EExtended strand (participates in β ladder)trans-78.9132.5174.5179.671000109I264 Q266 A282 S308 L309I264-L293 HydrophobicContact CB-CD1 4.35Å; I264-L293 HydrophobicContact CG2-CD1 4.21Å; I264-L293 CarbonylContact O-C 3.59Å; I264-L293 WeakPolarHBondContact O-CA 3.41Å; Q266-L293 HydrophobicContact CG-CD1 3.97Å; A282-L293 HydrophobicContact CB-CD1 4.13Å; A282-L293 HydrophobicContact CB-CD2 3.32Å; A282-L293 HydrophobicContact CB-CG 4.39Å; L293-S308 CarbonylContact O-C 3.55Å; L293-S308 WeakPolarHBondContact O-CA 3.32Å; L293-L309 HydrophobicContact CB-CB 4.25Å; L293-L309 HydrophobicContact CD2-CB 4.19Å; L293-L309 HydrophobicContact CD2-CD1 3.54Å; L293-L309 HydrophobicContact CD2-CG 4.5Å; L293-L309 HydrophobicContact CG-CD1 4.23Å; L293-L309 PolarHBondContact O-N 2.97Å
294L96.1Very high91.6Very high18 Ų1866.5 Ų66.59%0.09435%0.351CS..EExtended strand (participates in β ladder)trans-116.2116.2174.7-66.6-178.6000109.5Y263 I264 A265 Q266 C296Y263-L294 VanDerWaalsContact CB-CD1 3.5Å; Y263-L294 HydrophobicContact CD1-CD1 3.62Å; Y263-L294 HydrophobicContact CD1-CD2 4.01Å; Y263-L294 HydrophobicContact CD1-CG 3.71Å; Y263-L294 HydrophobicContact CD2-CD1 3.98Å; Y263-L294 HydrophobicContact CE1-CD1 4.35Å; Y263-L294 HydrophobicContact CE1-CD2 4.45Å; Y263-L294 HydrophobicContact CG-CD1 3.42Å; Y263-L294 VanDerWaalsContact CG-CD1 3.42Å; Y263-L294 HydrophobicContact CG-CG 3.91Å; I264-L294 PolarHBondContact O-N 3.33Å; A265-L294 CarbonylContact C-O 3.59Å; A265-L294 WeakPolarHBondContact CA-O 3.41Å; Q266-L294 PolarHBondContact N-O 2.81Å; L294-C296 PolarHBondContact O-SG 3.13Å; L294-C296 VanDerWaalsContact O-SG 3.42Å
295L95.6Very high92Very high19 Ų1960.6 Ų60.610%0.09934%0.337CS..EExtended strand (participates in β ladder)trans-79.4123.2163.5-55.3-178.8000107.9Q266 I274 L279 Y306 T307 L309Q266-L295 HydrophobicContact CB-CD2 4.41Å; I274-L295 HydrophobicContact CD1-CD1 3.69Å; I274-L295 HydrophobicContact CD1-CD2 4.43Å; L279-L295 HydrophobicContact CD1-CD1 4.33Å; L295-Y306 WeakPolarHBondContact O-CA 3.37Å; L295-T307 PolarHBondContact N-O 2.75Å; L295-T307 PolarHBondContact O-N 3.13Å; L295-L309 HydrophobicContact CD1-CD1 3.67Å; L295-L309 HydrophobicContact CD1-CG 4.34Å; L295-L309 HydrophobicContact CD2-CD1 3.9Å; L295-L309 HydrophobicContact CG-CD1 3.61Å; L295-L309 HydrophobicContact CG-CG 4.33Å
296C97.4Very high92.4Very high0 Ų059.9 Ų59.90%033%0.329CS..EExtended strand (participates in β ladder)trans-119.4121.1-173.5-51.30000108.8I228 Q266 W268 L294 V304 V305 Y306I228-C296 HydrophobicContact CD1-CB 3.85Å; I228-C296 WeakPolarHBondContact CD1-O 3.45Å; I228-C296 HydrophobicContact CG1-CB 4.12Å; I228-C296 HydrophobicContact CG2-CB 3.65Å; Q266-C296 WeakPolarHBondContact O-CB 3.32Å; Q266-C296 PolarHBondContact O-N 3.16Å; W268-C296 PolarHBondContact N-O 3.38Å; L294-C296 PolarHBondContact O-SG 3.13Å; L294-C296 VanDerWaalsContact O-SG 3.42Å; C296-V304 HydrophobicContact CB-CG1 4.34Å; C296-V305 WeakPolarHBondContact CA-O 3.28Å; C296-Y306 HydrophobicContact CB-CD1 4.07Å; C296-Y306 HydrophobicContact CB-CE1 3.97Å; C296-Y306 WeakPolarHBondContact SG-CD1 3.42Å
297S96.8Very high92.8Very high20 Ų2063.2 Ų63.214%0.1435%0.349CS..EExtended strand (participates in β ladder)trans-135.6118.6-178.3-63.40000111.6W268 V305W268-S297 VanDerWaalsContact O-CA 3.28Å; W268-S297 WeakPolarHBondContact O-CA 3.28Å; W268-S297 WeakPolarHBondContact O-CB 3.28Å; W268-S297 PolarHBondContact O-OG 3.32Å; S297-V305 PolarHBondContact N-O 2.97Å; S297-V305 PolarHBondContact O-N 3.5Å
298P95.6Very high93.2Very high32 Ų3263.2 Ų63.221%0.20835%0.352CS..EExtended strand (participates in β ladder)trans-68.7141.9173.731-34.7000110.1L224 V304L224-P298 HydrophobicContact CD1-CG 3.48Å; L224-P298 VanDerWaalsContact CD1-CG 3.48Å; P298-V304 HydrophobicContact CB-CG2 4.47Å
299Q94.1Very high93.3Very high67 Ų6761.6 Ų61.631%0.31334%0.336SS..  trans-103.8160178.6-62.4-58.3-5200110.7D301 G302 K303 V305Q299-D301 VanDerWaalsContact CB-OD1 3.25Å; Q299-D301 WeakPolarHBondContact CB-OD1 3.3Å; Q299-D301 PolarHBondContact O-N 2.96Å; Q299-D301 VanDerWaalsContact O-N 3.15Å; Q299-G302 PolarHBondContact O-N 3.46Å; Q299-K303 WeakPolarHBondContact CB-O 3.16Å; Q299-K303 PolarHBondContact N-O 3.12Å; Q299-V305 HydrophobicContact CG-CB 4.36Å; Q299-V305 HydrophobicContact CG-CG2 3.48Å; Q299-V305 VanDerWaalsContact CG-CG2 3.48Å
300P88.5Confident93.1Very high132 Ų13266.8 Ų66.886%0.85736%0.357SS*.THydrogen-bonded Turntrans-59.7-23.3176.9-25.235000114.4G302P300-G302 PolarHBondContact O-N 3.38Å
301D89.3Confident92.9Very high100 Ų10062.8 Ų62.854%0.53534%0.342SS..THydrogen-bonded Turntrans-78.31.4176.577-18.2000113.6Q299 K303Q299-D301 VanDerWaalsContact CB-OD1 3.25Å; Q299-D301 WeakPolarHBondContact CB-OD1 3.3Å; Q299-D301 PolarHBondContact O-N 2.96Å; Q299-D301 VanDerWaalsContact O-N 3.15Å; D301-K303 VanDerWaalsContact C-N 3.33Å; D301-K303 WeakPolarHBondContact OD1-CB 3.41Å; D301-K303 PolarHBondContact OD1-N 3.34Å; D301-K303 WeakPolarHBondContact OD2-CD 3.35Å; D301-K303 IonicContact OD2-NZ 2.61Å
302G85Confident92.4Very high63 Ų6365 Ų6565%0.64937%0.368SS*.SBendtrans85.6-4.2-179.900000114.5Q299 P300Q299-G302 PolarHBondContact O-N 3.46Å; P300-G302 PolarHBondContact O-N 3.38Å
303K92.1Very high91.5Very high135 Ų13567.3 Ų67.359%0.58739%0.386SS*.PPolyproline II helixtrans-85.3155.1176.2-62.5179.9-170.8154.70111.2Q299 D301Q299-K303 WeakPolarHBondContact CB-O 3.16Å; Q299-K303 PolarHBondContact N-O 3.12Å; D301-K303 VanDerWaalsContact C-N 3.33Å; D301-K303 WeakPolarHBondContact OD1-CB 3.41Å; D301-K303 PolarHBondContact OD1-N 3.34Å; D301-K303 WeakPolarHBondContact OD2-CD 3.35Å; D301-K303 IonicContact OD2-NZ 2.61Å
304V96.7Very high90.5Very high10 Ų1075.7 Ų75.76%0.06143%0.43CS..EExtended strand (participates in β ladder)trans-101.4127.4170.6-174.70000109.9I228 D231 C296 P298 Y306I228-V304 HydrophobicContact CG1-CG1 3.96Å; I228-V304 HydrophobicContact CG1-CG2 4.33Å; D231-V304 HydrophobicContact CB-CB 4.21Å; D231-V304 HydrophobicContact CB-CG2 3.59Å; C296-V304 HydrophobicContact CB-CG1 4.34Å; P298-V304 HydrophobicContact CB-CG2 4.47Å; V304-Y306 HydrophobicContact CB-CE2 3.71Å; V304-Y306 WeakPolarHBondContact CB-OH 3.47Å; V304-Y306 HydrophobicContact CG1-CD1 4.34Å; V304-Y306 HydrophobicContact CG1-CD2 4.32Å; V304-Y306 HydrophobicContact CG1-CE1 3.72Å; V304-Y306 HydrophobicContact CG1-CE2 3.69Å; V304-Y306 WeakPolarHBondContact CG1-OH 3.3Å; V304-Y306 WeakPolarHBondContact O-CD2 3.48Å; V304-Y306 WeakPolarHBondContact O-CE2 3.44Å
305V96.5Very high88.2Confident69 Ų6987.1 Ų87.142%0.41848%0.482SS..EExtended strand (participates in β ladder)trans-88.8133.8170.6171.80000108.8C296 S297 Q299C296-V305 WeakPolarHBondContact CA-O 3.28Å; S297-V305 PolarHBondContact N-O 2.97Å; S297-V305 PolarHBondContact O-N 3.5Å; Q299-V305 HydrophobicContact CG-CB 4.36Å; Q299-V305 HydrophobicContact CG-CG2 3.48Å; Q299-V305 VanDerWaalsContact CG-CG2 3.48Å
306Y96.9Very high87.8Confident58 Ų5890.5 Ų90.523%0.22750%0.502CS..EExtended strand (participates in β ladder)trans-119.3120.3179-61.3-83.8000109.8I228 D231 L232 L295 C296 V304I228-Y306 HydrophobicContact CG2-CE1 4.48Å; D231-Y306 WeakPolarHBondContact OD2-CE2 3.06Å; D231-Y306 PolarHBondContact OD2-OH 2.81Å; L232-Y306 HydrophobicContact CD1-CE1 4.24Å; L232-Y306 HydrophobicContact CD2-CE1 3.71Å; L232-Y306 HydrophobicContact CG-CE1 3.99Å; L232-Y306 WeakPolarHBondContact CG-OH 3.35Å; L295-Y306 WeakPolarHBondContact O-CA 3.37Å; C296-Y306 HydrophobicContact CB-CD1 4.07Å; C296-Y306 HydrophobicContact CB-CE1 3.97Å; C296-Y306 WeakPolarHBondContact SG-CD1 3.42Å; V304-Y306 HydrophobicContact CB-CE2 3.71Å; V304-Y306 WeakPolarHBondContact CB-OH 3.47Å; V304-Y306 HydrophobicContact CG1-CD1 4.34Å; V304-Y306 HydrophobicContact CG1-CD2 4.32Å; V304-Y306 HydrophobicContact CG1-CE1 3.72Å; V304-Y306 HydrophobicContact CG1-CE2 3.69Å; V304-Y306 WeakPolarHBondContact CG1-OH 3.3Å; V304-Y306 WeakPolarHBondContact O-CD2 3.48Å; V304-Y306 WeakPolarHBondContact O-CE2 3.44Å
307T94.9Very high87.3Confident72 Ų7295.3 Ų95.344%0.44253%0.528SS..EExtended strand (participates in β ladder)trans-112.8115.3174.9-58.90000109L295L295-T307 PolarHBondContact N-O 2.75Å; L295-T307 PolarHBondContact O-N 3.13Å
308S94.1Very high86.8Confident73 Ų7399.4 Ų99.451%0.5155%0.55SS..EExtended strand (participates in β ladder)trans-82.4135.9176.262.10000111.4L293L293-S308 CarbonylContact O-C 3.55Å; L293-S308 WeakPolarHBondContact O-CA 3.32Å
309L89.9Confident86.3Confident51 Ų51103.4 Ų103.427%0.26757%0.57SS.*EExtended strand (participates in β ladder)trans-111.6132.2174.3-65.6164.7000110L279 L293 L295L279-L309 HydrophobicContact CD1-CD1 3.29Å; L279-L309 HydrophobicContact CD1-CD2 4.3Å; L279-L309 HydrophobicContact CD1-CG 4.43Å; L279-L309 HydrophobicContact CG-CD1 4.47Å; L293-L309 HydrophobicContact CB-CB 4.25Å; L293-L309 HydrophobicContact CD2-CB 4.19Å; L293-L309 HydrophobicContact CD2-CD1 3.54Å; L293-L309 HydrophobicContact CD2-CG 4.5Å; L293-L309 HydrophobicContact CG-CD1 4.23Å; L293-L309 PolarHBondContact O-N 2.97Å; L295-L309 HydrophobicContact CD1-CD1 3.67Å; L295-L309 HydrophobicContact CD1-CG 4.34Å; L295-L309 HydrophobicContact CD2-CD1 3.9Å; L295-L309 HydrophobicContact CG-CD1 3.61Å; L295-L309 HydrophobicContact CG-CG 4.33Å
310Q83.9Confident85.8Confident160 Ų160105.7 Ų105.775%0.74859%0.586SS**  trans-126.5131.3175.4-67.5-174-19.600109A312Q310-A312 PolarHBondContact O-N 2.93Å
311W85.4Confident85.6Confident154 Ų154103.9 Ų103.958%0.58357%0.568SS**  trans-78.6109.6174.3-168.7-79.9000109V280 T287V280-W311 HydrophobicContact CG1-CH2 4.24Å; V280-W311 HydrophobicContact CG1-CZ3 4.25Å; T287-W311 VanDerWaalsContact OG1-CB 3.3Å; T287-W311 WeakPolarHBondContact OG1-CB 3.47Å
312A82.6Confident85.3Confident85 Ų85104.2 Ų104.270%0.70257%0.57SS**PPolyproline II helixtrans-96.2128.6172.600000109.4Q310Q310-A312 PolarHBondContact O-N 2.93Å
313S75.8Confident85.4Confident91 Ų91107.4 Ų107.464%0.63656%0.564SS**PPolyproline II helixtrans-71.2134.7159.251.80000108.2Q315S313-Q315 PolarHBondContact O-N 3.15Å; S313-Q315 VanDerWaalsContact O-N 3.15Å
314L73.1Confident84.8Confident181 Ų181105.1 Ų105.195%0.94856%0.562SS**PPolyproline II helixtrans-60.5117.1163.5-77152.5000107.2
315Q47.7Very low83.7Confident257 Ų257113.7 Ų113.7100%1.20161%0.608SS**  trans-79.30170.6-71-168.4-42.200110.2S313S313-Q315 PolarHBondContact O-N 3.15Å; S313-Q315 VanDerWaalsContact O-N 3.15Å

Retrieved 315 of 315 residues in 51.3 ms (Link to these results)