A0A077ZI98_TRITR Loading...

AlaDh PNT N and PALP and AlaDh PNT C domain conta ining protein

AlphaFold DB , UniProt , Accession A0A077ZI98, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 675 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M94Very high93.3Very high53 Ų5354.5 Ų54.526%0.26126%0.26SS..  0152.30149.6-171.3-72.800109.5I3 N31 E32 E67 L68 I88 V323M1-I3 HydrophobicContact CG-CG1 3.8Å; M1-I3 HydrophobicContact SD-CD1 4.36Å; M1-I3 HydrophobicContact SD-CG1 3.97Å; M1-N31 WeakPolarHBondContact CB-OD1 3.35Å; M1-N31 PolarHBondContact N-OD1 2.99Å; M1-N31 WeakPolarHBondContact O-CA 3.35Å; M1-N31 WeakPolarHBondContact O-CB 3.16Å; M1-N31 PolarHBondContact O-OD1 3.43Å; M1-E32 PolarHBondContact O-N 3.17Å; M1-E67 WeakPolarHBondContact CA-OE1 3.19Å; M1-E67 HydrophobicContact CG-CB 4.19Å; M1-L68 HydrophobicContact CE-CB 4.29Å; M1-L68 HydrophobicContact CG-CB 4.41Å; M1-L68 HydrophobicContact SD-CB 3.48Å; M1-L68 WeakPolarHBondContact SD-CB 3.23Å; M1-L68 HydrophobicContact SD-CD2 3.87Å; M1-L68 HydrophobicContact SD-CG 4.35Å; M1-I88 HydrophobicContact CE-CD1 4.26Å; M1-V323 HydrophobicContact CE-CG1 4.5Å
2K98.2Very high92.1Very high87 Ų8753.8 Ų53.838%0.37828%0.277SS..EExtended strand (participates in β ladder)trans-84.1128.1164.9-70.7-174177.9-169.70110.3E32 A66 E67 L68K2-E32 CarbonylContact C-O 3.57Å; K2-E32 WeakPolarHBondContact CA-O 3.36Å; K2-E32 WeakPolarHBondContact CE-OE2 3.4Å; K2-E32 HydrophobicContact CG-CB 4.31Å; K2-A66 HydrophobicContact CB-CB 4.11Å; K2-E67 PolarHBondContact N-OE1 3.37Å; K2-E67 PolarHBondContact O-N 2.81Å; K2-L68 PolarHBondContact O-N 2.75Å
3I98.8Very high91.9Very high0 Ų050.8 Ų50.80%026%0.262CS..EExtended strand (participates in β ladder)trans-122127.2-178.3-54.4179.3000109.2M1 M18 L26 N31 E32 V33 L34 A66 L68 V70M1-I3 HydrophobicContact CG-CG1 3.8Å; M1-I3 HydrophobicContact SD-CD1 4.36Å; M1-I3 HydrophobicContact SD-CG1 3.97Å; I3-M18 HydrophobicContact CG2-CE 3.93Å; I3-L26 HydrophobicContact CD1-CB 4.2Å; I3-L26 HydrophobicContact CD1-CD1 3.87Å; I3-L26 HydrophobicContact CD1-CD2 4.2Å; I3-L26 HydrophobicContact CD1-CG 4.31Å; I3-N31 HydrophobicContact CD1-CB 3.8Å; I3-N31 HydrophobicContact CG1-CB 4.28Å; I3-E32 PolarHBondContact N-O 3.3Å; I3-V33 HydrophobicContact CB-CG2 4.39Å; I3-V33 CarbonylContact O-C 3.59Å; I3-V33 WeakPolarHBondContact O-CA 3.49Å; I3-L34 PolarHBondContact O-N 3.45Å; I3-A66 VanDerWaalsContact C-CB 3.49Å; I3-L68 CarbonylContact C-O 3.56Å; I3-L68 VanDerWaalsContact CA-O 3.26Å; I3-L68 WeakPolarHBondContact CA-O 3.37Å; I3-L68 HydrophobicContact CD1-CD2 4.33Å; I3-L68 HydrophobicContact CG1-CB 4.35Å; I3-L68 HydrophobicContact CG1-CD2 4.35Å; I3-L68 HydrophobicContact CG2-CD2 4.35Å; I3-L68 HydrophobicContact CG2-CG 4.29Å; I3-V70 HydrophobicContact CG2-CG2 4.1Å
4G98.7Very high92Very high0 Ų049.6 Ų49.60%026%0.263CS..EExtended strand (participates in β ladder)trans-105.5122.6-17900000111.3L34 L68 V70G4-L34 CarbonylContact C-O 3.6Å; G4-L34 WeakPolarHBondContact CA-O 3.47Å; G4-L68 PolarHBondContact N-O 2.81Å; G4-V70 PolarHBondContact O-N 2.85Å
5V98.6Very high92.2Very high0 Ų046.9 Ų46.90%025%0.248CC..EExtended strand (participates in β ladder)trans-100.5108.1172.7-175.50000108V16 M18 V23 V33 L34 V35 D36V5-V16 HydrophobicContact CG1-CG2 3.61Å; V5-M18 HydrophobicContact CG1-CB 4.14Å; V5-M18 HydrophobicContact CG2-CB 4.02Å; V5-M18 HydrophobicContact CG2-CG 4.03Å; V5-M18 HydrophobicContact CG2-SD 3.52Å; V5-M18 VanDerWaalsContact CG2-SD 3.52Å; V5-V23 HydrophobicContact CG2-CG2 4.49Å; V5-V33 HydrophobicContact CG2-CG1 3.92Å; V5-L34 PolarHBondContact N-O 2.9Å; V5-V35 HydrophobicContact CB-CG1 4.33Å; V5-V35 HydrophobicContact CB-CG2 4.31Å; V5-V35 HydrophobicContact CG2-CG2 4.3Å; V5-D36 VanDerWaalsContact O-CB 3.26Å; V5-D36 WeakPolarHBondContact O-CB 3.37Å; V5-D36 PolarHBondContact O-N 3.19Å
6I97.9Very high92.5Very high3 Ų344 Ų442%0.01523%0.232CC..PPolyproline II helixtrans-99.9138.4-169.3-47.6-60.2000110.6A63 W64 I69 V70 K71I6-A63 HydrophobicContact CD1-CB 3.45Å; I6-A63 VanDerWaalsContact CD1-CB 3.45Å; I6-W64 HydrophobicContact CD1-CD2 4.22Å; I6-W64 HydrophobicContact CD1-CG 4.08Å; I6-W64 HydrophobicContact CG1-CD2 4.34Å; I6-W64 HydrophobicContact CG1-CZ2 4.35Å; I6-W64 HydrophobicContact CG2-CZ2 4.07Å; I6-I69 HydrophobicContact CD1-CD1 4.5Å; I6-I69 HydrophobicContact CD1-CG2 4.35Å; I6-I69 HydrophobicContact CG1-CG2 3.5Å; I6-I69 VanDerWaalsContact CG1-CG2 3.5Å; I6-V70 PolarHBondContact N-O 2.88Å; I6-K71 HydrophobicContact CB-CD 3.92Å; I6-K71 HydrophobicContact CB-CG 3.6Å; I6-K71 HydrophobicContact CG1-CD 4.22Å; I6-K71 HydrophobicContact CG1-CG 4.02Å; I6-K71 HydrophobicContact CG2-CD 4.1Å; I6-K71 HydrophobicContact CG2-CG 4.27Å
7K95.8Very high92.6Very high100 Ų10041.6 Ų41.644%0.43522%0.221SC..PPolyproline II helixtrans-69.4133.8170.6-174.2176.9176.7-179.60109.8P9 D36 A39 K71K7-P9 WeakPolarHBondContact O-CD 3.32Å; K7-D36 HydrophobicContact CB-CB 4.36Å; K7-D36 WeakPolarHBondContact CB-OD2 3.41Å; K7-D36 PolarHBondContact N-OD2 3.11Å; K7-A39 HydrophobicContact CB-CB 4.04Å; K7-K71 PolarHBondContact O-NZ 2.88Å
8D91Very high92.9Very high12 Ų1239.3 Ų39.36%0.06421%0.209CC..PPolyproline II helixtrans-75.8122.7177.9-147.6-60.2000110K10 E13 K73D8-K10 PolarHBondContact O-N 3.08Å; D8-K10 WeakPolarHBondContact OD1-CB 3.36Å; D8-K10 PolarHBondContact OD1-N 3.27Å; D8-K10 VanDerWaalsContact OD1-N 3.17Å; D8-E13 HydrophobicContact CB-CB 4.05Å; D8-E13 HydrophobicContact CB-CG 3.56Å; D8-K73 WeakPolarHBondContact OD2-CB 3.36Å; D8-K73 PolarHBondContact OD2-N 2.93Å
9P90.1Very high93.2Very high68 Ų6837.8 Ų37.844%0.44220%0.201SC..  trans-77.7-11.3178.432.3-35.4000112.5K7 Q11 M76 E79K7-P9 WeakPolarHBondContact O-CD 3.32Å; P9-Q11 PolarHBondContact O-N 3.03Å; P9-M76 HydrophobicContact CG-CG 4.35Å; P9-M76 HydrophobicContact CG-SD 3.96Å; P9-E79 HydrophobicContact CG-CG 4.22Å
10K83.1Confident93.5Very high77 Ų7736.6 Ų36.634%0.33520%0.195SC..SBendtrans-65.3123.9-175.8-166.8169.8-169.9164.70110.5D8 G12 E13 E74 M76D8-K10 PolarHBondContact O-N 3.08Å; D8-K10 WeakPolarHBondContact OD1-CB 3.36Å; D8-K10 PolarHBondContact OD1-N 3.27Å; D8-K10 VanDerWaalsContact OD1-N 3.17Å; K10-G12 PolarHBondContact O-N 2.69Å; K10-E13 HydrophobicContact CB-CB 4.01Å; K10-E13 WeakPolarHBondContact O-CB 3.45Å; K10-E13 PolarHBondContact O-N 3.41Å; K10-E74 IonicContact NZ-OE1 2.6Å; K10-E74 PolarHBondContact NZ-OE1 3.24Å; K10-M76 HydrophobicContact CB-SD 3.98Å; K10-M76 HydrophobicContact CG-SD 4.39Å
11Q79.8Confident93.7Very high200 Ų20040.4 Ų40.494%0.93521%0.212SC*.THydrogen-bonded Turntrans-57.3128.4178.2-172.9-179.37.200111P9 E13P9-Q11 PolarHBondContact O-N 3.03Å; Q11-E13 VanDerWaalsContact C-N 3.28Å
12G79.7Confident93.9Very high45 Ų4538 Ų3846%0.46420%0.2SC..THydrogen-bonded Turntrans82.8-0.4-177.800000114.5K10K10-G12 PolarHBondContact O-N 2.69Å
13E89.8Confident94Very high16 Ų1633.9 Ų33.98%0.07518%0.182CC..  trans-91.1108167.1-171.752.9-98.500109.8D8 K10 Q11 R15 N299D8-E13 HydrophobicContact CB-CB 4.05Å; D8-E13 HydrophobicContact CB-CG 3.56Å; K10-E13 HydrophobicContact CB-CB 4.01Å; K10-E13 WeakPolarHBondContact O-CB 3.45Å; K10-E13 PolarHBondContact O-N 3.41Å; Q11-E13 VanDerWaalsContact C-N 3.28Å; E13-R15 WeakPolarHBondContact OE1-CB 3.49Å; E13-R15 WeakPolarHBondContact OE1-CG 3.44Å; E13-R15 IonicContact OE1-CZ 3.53Å; E13-R15 PolarHBondContact OE1-N 3.42Å; E13-R15 IonicContact OE1-NE 2.83Å; E13-R15 PolarHBondContact OE1-NE 3.2Å; E13-R15 IonicContact OE1-NH2 3.39Å; E13-R15 IonicContact OE2-CZ 3.54Å; E13-R15 IonicContact OE2-NE 2.8Å; E13-R15 PolarHBondContact OE2-NE 3.49Å; E13-R15 IonicContact OE2-NH2 3.31Å; E13-R15 PolarHBondContact OE2-NH2 3.29Å; E13-N299 PolarHBondContact OE2-ND2 2.93Å
14A93.1Very high94Very high33 Ų3338.7 Ų38.727%0.27320%0.201SC..  trans-112.92.4-179.300000112.4G42 S43 P305A14-G42 CarbonylContact O-C 3.5Å; A14-S43 PolarHBondContact O-N 3.06Å; A14-S43 VanDerWaalsContact O-N 3.16Å; A14-S43 PolarHBondContact O-OG 3.46Å; A14-P305 HydrophobicContact CB-CB 3.69Å; A14-P305 HydrophobicContact CB-CG 3.82Å
15R95.1Very high94Very high10 Ų1040.7 Ų40.74%0.03821%0.211CC..  trans-76.9161.8174-60.8173.6-64.2178.6-2.6110.6E13 S43 V72 M130 N299 P305 A308 T309E13-R15 WeakPolarHBondContact OE1-CB 3.49Å; E13-R15 WeakPolarHBondContact OE1-CG 3.44Å; E13-R15 IonicContact OE1-CZ 3.53Å; E13-R15 PolarHBondContact OE1-N 3.42Å; E13-R15 IonicContact OE1-NE 2.83Å; E13-R15 PolarHBondContact OE1-NE 3.2Å; E13-R15 IonicContact OE1-NH2 3.39Å; E13-R15 IonicContact OE2-CZ 3.54Å; E13-R15 IonicContact OE2-NE 2.8Å; E13-R15 PolarHBondContact OE2-NE 3.49Å; E13-R15 IonicContact OE2-NH2 3.31Å; E13-R15 PolarHBondContact OE2-NH2 3.29Å; R15-S43 WeakPolarHBondContact CA-OG 3.33Å; R15-V72 HydrophobicContact CB-CB 4.49Å; R15-V72 HydrophobicContact CB-CG1 4.11Å; R15-V72 HydrophobicContact CB-CG2 3.84Å; R15-M130 PolarHBondContact NH1-SD 2.86Å; R15-N299 PolarHBondContact NH2-ND2 3.27Å; R15-N299 PolarHBondContact NH2-OD1 2.84Å; R15-P305 HydrophobicContact CG-CB 3.89Å; R15-A308 HydrophobicContact CG-CB 4.05Å; R15-T309 VanDerWaalsContact CA-OG1 3.3Å; R15-T309 WeakPolarHBondContact CA-OG1 3.44Å; R15-T309 WeakPolarHBondContact CB-OG1 3.39Å
16V96.5Very high94Very high0 Ų040.7 Ų40.70%021%0.211CC..  trans-133.5148.1175.759.80000109.5V5 M18 A39 F45 Y50 T309V5-V16 HydrophobicContact CG1-CG2 3.61Å; V16-M18 PolarHBondContact O-N 3.14Å; V16-A39 HydrophobicContact CG2-CB 3.94Å; V16-F45 HydrophobicContact CG1-CD2 4.33Å; V16-Y50 WeakPolarHBondContact CG1-OH 3.25Å; V16-T309 HydrophobicContact CG1-CG2 3.57Å; V16-T309 PolarHBondContact N-OG1 3.23Å; V16-T309 VanDerWaalsContact N-OG1 3.17Å; V16-T309 WeakPolarHBondContact O-CG2 3.16Å
17G94.8Very high94Very high4 Ų442.7 Ų42.74%0.04122%0.223CC..SBendtrans-66.6-22.1-174.200000114.6
18M97.7Very high94.1Very high0 Ų044.9 Ų44.90%024%0.235CC..  trans-141.4139.9-179.2-69.4-172.3-178.300112.5I3 V5 V16 N22 V23 L26 Y50 V70 L320I3-M18 HydrophobicContact CG2-CE 3.93Å; V5-M18 HydrophobicContact CG1-CB 4.14Å; V5-M18 HydrophobicContact CG2-CB 4.02Å; V5-M18 HydrophobicContact CG2-CG 4.03Å; V5-M18 HydrophobicContact CG2-SD 3.52Å; V5-M18 VanDerWaalsContact CG2-SD 3.52Å; V16-M18 PolarHBondContact O-N 3.14Å; M18-N22 HydrophobicContact CB-CB 3.98Å; M18-N22 HydrophobicContact CG-CB 4.15Å; M18-N22 HydrophobicContact SD-CB 4.47Å; M18-V23 HydrophobicContact CB-CG2 4.26Å; M18-V23 HydrophobicContact SD-CG2 4.35Å; M18-L26 HydrophobicContact CE-CD1 3.2Å; M18-L26 HydrophobicContact SD-CD1 3.63Å; M18-Y50 PolarHBondContact O-OH 2.8Å; M18-V70 HydrophobicContact CE-CB 3.86Å; M18-V70 HydrophobicContact CE-CG1 3.96Å; M18-V70 HydrophobicContact CE-CG2 3.5Å; M18-V70 VanDerWaalsContact CE-CG2 3.5Å; M18-V70 HydrophobicContact CG-CG1 4.16Å; M18-L320 HydrophobicContact CE-CD1 3.72Å
19T98.4Very high94.4Very high10 Ų1045.9 Ų45.96%0.06125%0.245CC..  trans-80.4163.9165.859.70000111.1E21 N22 V23 F45 T309 I310 A313T19-E21 PolarHBondContact O-N 3.19Å; T19-N22 WeakPolarHBondContact O-CB 3.42Å; T19-N22 PolarHBondContact O-N 3.33Å; T19-N22 PolarHBondContact OG1-N 2.96Å; T19-V23 PolarHBondContact O-N 3.2Å; T19-V23 VanDerWaalsContact O-N 3.08Å; T19-F45 HydrophobicContact CG2-CE2 3.89Å; T19-F45 HydrophobicContact CG2-CZ 3.77Å; T19-T309 HydrophobicContact CG2-CG2 3.88Å; T19-I310 HydrophobicContact CG2-CG1 4.25Å; T19-A313 HydrophobicContact CG2-CB 3.66Å
20P98.7Very high94.8Very high14 Ų1445.8 Ų45.89%0.09126%0.256CS..Hα-helixtrans-53.9-34169.8-29.436.6000113.7V23 R24 F45 Q49 Y50 A53P20-V23 PolarHBondContact O-N 3.33Å; P20-R24 PolarHBondContact O-N 2.94Å; P20-F45 HydrophobicContact CG-CB 4.13Å; P20-F45 HydrophobicContact CG-CD1 3.88Å; P20-F45 HydrophobicContact CG-CG 4.16Å; P20-Q49 HydrophobicContact CB-CB 4.28Å; P20-Q49 HydrophobicContact CG-CB 3.84Å; P20-Y50 HydrophobicContact CB-CD1 4.34Å; P20-Y50 HydrophobicContact CG-CD1 4.03Å; P20-Y50 HydrophobicContact CG-CE1 3.98Å; P20-Y50 HydrophobicContact CG-CE2 4.45Å; P20-Y50 HydrophobicContact CG-CG 4.33Å; P20-A53 HydrophobicContact CB-CB 4.11Å; P20-A53 WeakPolarHBondContact O-CB 3.28Å
21E98.4Very high95.5Very high116 Ų11642.7 Ų42.754%0.54224%0.243SC..Hα-helixtrans-63.5-42.9174.5175.9175.1-163.200112.7T19 V23 R24 I25T19-E21 PolarHBondContact O-N 3.19Å; E21-V23 VanDerWaalsContact C-N 3.34Å; E21-R24 PolarHBondContact O-N 2.97Å; E21-I25 HydrophobicContact CG-CD1 4.13Å; E21-I25 WeakPolarHBondContact O-CG1 3.3Å; E21-I25 PolarHBondContact O-N 2.62Å
22N98.6Very high96.4Very high4 Ų436.2 Ų36.22%0.02121%0.213CC..Hα-helixtrans-62.6-42.2174.7-77.9-172.5000111.9M18 T19 R24 I25 L26 A313 I317M18-N22 HydrophobicContact CB-CB 3.98Å; M18-N22 HydrophobicContact CG-CB 4.15Å; M18-N22 HydrophobicContact SD-CB 4.47Å; T19-N22 WeakPolarHBondContact O-CB 3.42Å; T19-N22 PolarHBondContact O-N 3.33Å; T19-N22 PolarHBondContact OG1-N 2.96Å; N22-R24 VanDerWaalsContact C-N 3.34Å; N22-R24 PolarHBondContact O-N 3.39Å; N22-I25 PolarHBondContact O-N 3.33Å; N22-L26 PolarHBondContact O-N 2.85Å; N22-A313 VanDerWaalsContact OD1-CA 3.24Å; N22-A313 WeakPolarHBondContact OD1-CA 3.37Å; N22-A313 WeakPolarHBondContact OD1-CB 3.24Å; N22-A313 PolarHBondContact OD1-O 2.81Å; N22-I317 HydrophobicContact CB-CD1 3.83Å; N22-I317 HydrophobicContact CB-CG1 4.48Å
23V98.8Very high97.3Very high0 Ų034.1 Ų34.10%019%0.191CC..Hα-helixtrans-57.5-48.9175.6170.90000110.4V5 M18 T19 P20 E21 I25 L26 V27 V33 V35 Y50 A53V5-V23 HydrophobicContact CG2-CG2 4.49Å; M18-V23 HydrophobicContact CB-CG2 4.26Å; M18-V23 HydrophobicContact SD-CG2 4.35Å; T19-V23 PolarHBondContact O-N 3.2Å; T19-V23 VanDerWaalsContact O-N 3.08Å; P20-V23 PolarHBondContact O-N 3.33Å; E21-V23 VanDerWaalsContact C-N 3.34Å; V23-I25 PolarHBondContact O-N 3.01Å; V23-L26 PolarHBondContact O-N 2.86Å; V23-L26 VanDerWaalsContact O-N 3.16Å; V23-V27 HydrophobicContact CG1-CG2 4.18Å; V23-V27 VanDerWaalsContact O-CG2 3.32Å; V23-V27 WeakPolarHBondContact O-CG2 3.32Å; V23-V27 PolarHBondContact O-N 3.19Å; V23-V33 HydrophobicContact CB-CG1 4.43Å; V23-V33 HydrophobicContact CG1-CB 4.03Å; V23-V33 HydrophobicContact CG1-CG1 3.95Å; V23-V33 HydrophobicContact CG1-CG2 4.43Å; V23-V33 HydrophobicContact CG2-CG1 3.97Å; V23-V35 HydrophobicContact CG2-CG2 4.3Å; V23-Y50 HydrophobicContact CB-CD1 4.32Å; V23-Y50 HydrophobicContact CG2-CD1 3.67Å; V23-Y50 HydrophobicContact CG2-CE1 3.83Å; V23-A53 HydrophobicContact CB-CB 4.28Å; V23-A53 HydrophobicContact CG1-CB 4.17Å
24R98.7Very high97.8Very high101 Ų10133.5 Ų33.538%0.38119%0.188SC..Hα-helixtrans-57.2-46.5176.7-177.5174.759.3-111.3-2.6112.4P20 E21 N22 L26 V27 E28 A53P20-R24 PolarHBondContact O-N 2.94Å; E21-R24 PolarHBondContact O-N 2.97Å; N22-R24 VanDerWaalsContact C-N 3.34Å; N22-R24 PolarHBondContact O-N 3.39Å; R24-L26 VanDerWaalsContact C-N 3.27Å; R24-L26 PolarHBondContact O-N 3.36Å; R24-V27 PolarHBondContact O-N 2.96Å; R24-E28 HydrophobicContact CG-CG 4.22Å; R24-E28 VanDerWaalsContact CG-OE1 3.31Å; R24-E28 WeakPolarHBondContact CG-OE1 3.44Å; R24-E28 WeakPolarHBondContact O-CB 3.4Å; R24-E28 VanDerWaalsContact O-CG 3.31Å; R24-E28 WeakPolarHBondContact O-CG 3.23Å; R24-E28 PolarHBondContact O-N 2.94Å; R24-A53 VanDerWaalsContact CA-O 3.28Å; R24-A53 WeakPolarHBondContact CA-O 3.46Å; R24-A53 HydrophobicContact CB-CB 4Å
25I98.6Very high98Very high42 Ų4232 Ų3222%0.21518%0.175CC..Hα-helixtrans-58.2-40.3179-70.5164.6000111.6E21 N22 V23 A29 I317 K321E21-I25 HydrophobicContact CG-CD1 4.13Å; E21-I25 WeakPolarHBondContact O-CG1 3.3Å; E21-I25 PolarHBondContact O-N 2.62Å; N22-I25 PolarHBondContact O-N 3.33Å; V23-I25 PolarHBondContact O-N 3.01Å; I25-A29 WeakPolarHBondContact O-CB 3.44Å; I25-A29 PolarHBondContact O-N 3.19Å; I25-A29 VanDerWaalsContact O-N 3.16Å; I25-I317 HydrophobicContact CB-CD1 4.24Å; I25-I317 HydrophobicContact CB-CG1 4.29Å; I25-I317 HydrophobicContact CD1-CG1 3.96Å; I25-I317 HydrophobicContact CG2-CD1 4.03Å; I25-I317 HydrophobicContact CG2-CG1 3.91Å; I25-K321 HydrophobicContact CG2-CD 4.12Å
26L98.6Very high98.2Very high0 Ų031.7 Ų31.70%018%0.175CC..Hα-helixtrans-77-37-179.7-67.9172.6000112.4I3 M18 N22 V23 R24 A29 G30 N31 V33 I317 K321I3-L26 HydrophobicContact CD1-CB 4.2Å; I3-L26 HydrophobicContact CD1-CD1 3.87Å; I3-L26 HydrophobicContact CD1-CD2 4.2Å; I3-L26 HydrophobicContact CD1-CG 4.31Å; M18-L26 HydrophobicContact CE-CD1 3.2Å; M18-L26 HydrophobicContact SD-CD1 3.63Å; N22-L26 PolarHBondContact O-N 2.85Å; V23-L26 PolarHBondContact O-N 2.86Å; V23-L26 VanDerWaalsContact O-N 3.16Å; R24-L26 VanDerWaalsContact C-N 3.27Å; R24-L26 PolarHBondContact O-N 3.36Å; L26-A29 WeakPolarHBondContact O-CB 3.41Å; L26-A29 PolarHBondContact O-N 2.83Å; L26-G30 PolarHBondContact O-N 3.48Å; L26-N31 VanDerWaalsContact O-CB 3.24Å; L26-N31 WeakPolarHBondContact O-CB 3.39Å; L26-N31 PolarHBondContact O-N 2.92Å; L26-N31 VanDerWaalsContact O-N 3.11Å; L26-N31 PolarHBondContact O-ND2 2.78Å; L26-V33 HydrophobicContact CB-CG2 3.97Å; L26-I317 HydrophobicContact CD1-CD1 4.18Å; L26-I317 HydrophobicContact CD2-CD1 4.21Å; L26-I317 HydrophobicContact CG-CD1 3.91Å; L26-K321 HydrophobicContact CD2-CB 4.07Å
27V98.7Very high98.3Very high44 Ų4434.9 Ų34.927%0.26719%0.192SC..Hα-helixtrans-62.5-46172.9171.70000110.7V23 R24 A29 G30 V33V23-V27 HydrophobicContact CG1-CG2 4.18Å; V23-V27 VanDerWaalsContact O-CG2 3.32Å; V23-V27 WeakPolarHBondContact O-CG2 3.32Å; V23-V27 PolarHBondContact O-N 3.19Å; R24-V27 PolarHBondContact O-N 2.96Å; V27-A29 PolarHBondContact O-N 3.28Å; V27-G30 WeakPolarHBondContact O-CA 3.44Å; V27-G30 PolarHBondContact O-N 3.32Å; V27-V33 HydrophobicContact CG2-CB 4.14Å; V27-V33 HydrophobicContact CG2-CG2 3.73Å
28E98.3Very high98.5Very high146 Ų14637.8 Ų37.868%0.68221%0.206SC*.Hα-helixtrans-63.5-25.1175.4-72.9174178.800112.7R24 G30R24-E28 HydrophobicContact CG-CG 4.22Å; R24-E28 VanDerWaalsContact CG-OE1 3.31Å; R24-E28 WeakPolarHBondContact CG-OE1 3.44Å; R24-E28 WeakPolarHBondContact O-CB 3.4Å; R24-E28 VanDerWaalsContact O-CG 3.31Å; R24-E28 WeakPolarHBondContact O-CG 3.23Å; R24-E28 PolarHBondContact O-N 2.94Å; E28-G30 PolarHBondContact O-N 2.87Å
29A97.7Very high98.4Very high34 Ų3438.1 Ų38.128%0.28121%0.209SC..THydrogen-bonded Turntrans-78.64.2171.200000113.6I25 L26 V27 K321 V325I25-A29 WeakPolarHBondContact O-CB 3.44Å; I25-A29 PolarHBondContact O-N 3.19Å; I25-A29 VanDerWaalsContact O-N 3.16Å; L26-A29 WeakPolarHBondContact O-CB 3.41Å; L26-A29 PolarHBondContact O-N 2.83Å; V27-A29 PolarHBondContact O-N 3.28Å; A29-K321 HydrophobicContact CB-CG 4.43Å; A29-V325 HydrophobicContact CB-CG2 4.22Å
30G97.6Very high98.4Very high65 Ų6537.6 Ų37.667%0.6721%0.206SC*.THydrogen-bonded Turntrans91.215.8176.500000114.7L26 V27 E28L26-G30 PolarHBondContact O-N 3.48Å; V27-G30 WeakPolarHBondContact O-CA 3.44Å; V27-G30 PolarHBondContact O-N 3.32Å; E28-G30 PolarHBondContact O-N 2.87Å
31N98.5Very high98.3Very high13 Ų1339.4 Ų39.47%0.0722%0.222CC..  trans-92.6154.6178.9-59.3-69.3000112.6M1 I3 L26 S324M1-N31 WeakPolarHBondContact CB-OD1 3.35Å; M1-N31 PolarHBondContact N-OD1 2.99Å; M1-N31 WeakPolarHBondContact O-CA 3.35Å; M1-N31 WeakPolarHBondContact O-CB 3.16Å; M1-N31 PolarHBondContact O-OD1 3.43Å; I3-N31 HydrophobicContact CD1-CB 3.8Å; I3-N31 HydrophobicContact CG1-CB 4.28Å; L26-N31 VanDerWaalsContact O-CB 3.24Å; L26-N31 WeakPolarHBondContact O-CB 3.39Å; L26-N31 PolarHBondContact O-N 2.92Å; L26-N31 VanDerWaalsContact O-N 3.11Å; L26-N31 PolarHBondContact O-ND2 2.78Å; N31-S324 WeakPolarHBondContact ND2-CB 3.36Å; N31-S324 PolarHBondContact ND2-OG 3.11Å
32E98.6Very high98.1Very high64 Ų6436 Ų3630%0.29922%0.218SC..EExtended strand (participates in β ladder)trans-97.1116.5166.6179.7173.1-150.100108.2M1 K2 I3 L34 K56M1-E32 PolarHBondContact O-N 3.17Å; K2-E32 CarbonylContact C-O 3.57Å; K2-E32 WeakPolarHBondContact CA-O 3.36Å; K2-E32 WeakPolarHBondContact CE-OE2 3.4Å; K2-E32 HydrophobicContact CG-CB 4.31Å; I3-E32 PolarHBondContact N-O 3.3Å; E32-L34 HydrophobicContact CG-CD2 4.07Å; E32-K56 HydrophobicContact CG-CD 4.43Å; E32-K56 WeakPolarHBondContact OE1-CE 3.2Å; E32-K56 IonicContact OE1-NZ 2.79Å; E32-K56 PolarHBondContact OE1-NZ 2.73Å
33V98.9Very high98Very high1 Ų135.9 Ų35.91%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-106.7112.8-177.7-173.60000109.9I3 V5 V23 L26 V27 V35 G55 K56I3-V33 HydrophobicContact CB-CG2 4.39Å; I3-V33 CarbonylContact O-C 3.59Å; I3-V33 WeakPolarHBondContact O-CA 3.49Å; V5-V33 HydrophobicContact CG2-CG1 3.92Å; V23-V33 HydrophobicContact CB-CG1 4.43Å; V23-V33 HydrophobicContact CG1-CB 4.03Å; V23-V33 HydrophobicContact CG1-CG1 3.95Å; V23-V33 HydrophobicContact CG1-CG2 4.43Å; V23-V33 HydrophobicContact CG2-CG1 3.97Å; L26-V33 HydrophobicContact CB-CG2 3.97Å; V27-V33 HydrophobicContact CG2-CB 4.14Å; V27-V33 HydrophobicContact CG2-CG2 3.73Å; V33-V35 HydrophobicContact CG1-CG2 4.14Å; V33-G55 WeakPolarHBondContact O-CA 3.31Å; V33-K56 PolarHBondContact O-N 3.33Å
34L98.9Very high97.9Very high3 Ų338.2 Ų38.22%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-93.3121.5175.2-52.2-176.7000108.3I3 G4 V5 E32 K56 V58 E62I3-L34 PolarHBondContact O-N 3.45Å; G4-L34 CarbonylContact C-O 3.6Å; G4-L34 WeakPolarHBondContact CA-O 3.47Å; V5-L34 PolarHBondContact N-O 2.9Å; E32-L34 HydrophobicContact CG-CD2 4.07Å; L34-K56 CarbonylContact C-O 3.52Å; L34-K56 WeakPolarHBondContact CA-O 3.39Å; L34-K56 HydrophobicContact CD2-CB 4.08Å; L34-K56 HydrophobicContact CD2-CD 4.2Å; L34-V58 HydrophobicContact CB-CG2 3.88Å; L34-V58 HydrophobicContact CD2-CG1 4.31Å; L34-E62 HydrophobicContact CD1-CG 4.46Å
35V98.9Very high97.9Very high0 Ų034.3 Ų34.30%023%0.227CC..EExtended strand (participates in β ladder)trans-112.4119.9-178.3-176.20000108V5 V23 V33 A39 Y50 K56 I57 V58V5-V35 HydrophobicContact CB-CG1 4.33Å; V5-V35 HydrophobicContact CB-CG2 4.31Å; V5-V35 HydrophobicContact CG2-CG2 4.3Å; V23-V35 HydrophobicContact CG2-CG2 4.3Å; V33-V35 HydrophobicContact CG1-CG2 4.14Å; V35-A39 HydrophobicContact CG1-CB 4.17Å; V35-Y50 HydrophobicContact CG1-CD1 4.18Å; V35-Y50 HydrophobicContact CG1-CD2 4.06Å; V35-Y50 HydrophobicContact CG1-CE1 4.39Å; V35-Y50 HydrophobicContact CG1-CE2 4.3Å; V35-Y50 HydrophobicContact CG1-CG 3.99Å; V35-Y50 HydrophobicContact CG2-CD1 4.06Å; V35-Y50 HydrophobicContact CG2-CG 4.3Å; V35-K56 PolarHBondContact N-O 3.49Å; V35-I57 HydrophobicContact CB-CD1 3.99Å; V35-I57 HydrophobicContact CG1-CD1 4.19Å; V35-I57 WeakPolarHBondContact O-CA 3.43Å; V35-V58 PolarHBondContact O-N 3.32Å
36D98.5Very high97.9Very high4 Ų435.3 Ų35.32%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-57.8136.8175.2-1757.2000110.2V5 K7 N38 A39 V58 T60 A63V5-D36 VanDerWaalsContact O-CB 3.26Å; V5-D36 WeakPolarHBondContact O-CB 3.37Å; V5-D36 PolarHBondContact O-N 3.19Å; K7-D36 HydrophobicContact CB-CB 4.36Å; K7-D36 WeakPolarHBondContact CB-OD2 3.41Å; K7-D36 PolarHBondContact N-OD2 3.11Å; D36-N38 PolarHBondContact O-N 2.77Å; D36-A39 HydrophobicContact CB-CB 4.23Å; D36-A39 WeakPolarHBondContact O-CB 3.21Å; D36-A39 PolarHBondContact O-N 2.74Å; D36-V58 CarbonylContact C-O 3.45Å; D36-T60 WeakPolarHBondContact OD1-CA 3.31Å; D36-T60 PolarHBondContact OD1-N 2.92Å; D36-T60 PolarHBondContact OD1-OG1 2.95Å; D36-T60 PolarHBondContact OD2-OG1 3.17Å; D36-A63 HydrophobicContact CB-CB 3.96Å
37D98.6Very high97.9Very high67 Ų6736.4 Ų36.436%0.35824%0.241SC..THydrogen-bonded Turntrans-54.6127.1-173.6-178.751.7000111.7A39 N47 I57 V58D37-A39 PolarHBondContact O-N 2.76Å; D37-N47 PolarHBondContact OD1-ND2 2.96Å; D37-I57 HydrophobicContact CB-CG2 4.11Å; D37-V58 PolarHBondContact N-O 3.45Å
38N97.9Very high97.9Very high66 Ų6639.8 Ų39.835%0.35325%0.254SS..THydrogen-bonded Turntrans58.623.3-177.1-67.1-70.6000114.7D36 G40 A41 N47D36-N38 PolarHBondContact O-N 2.77Å; N38-G40 VanDerWaalsContact C-N 3.28Å; N38-G40 PolarHBondContact O-N 3.01Å; N38-A41 HydrophobicContact CB-CB 4.06Å; N38-A41 WeakPolarHBondContact O-CB 3.31Å; N38-A41 PolarHBondContact O-N 3.28Å; N38-N47 WeakPolarHBondContact CA-OD1 3.43Å; N38-N47 PolarHBondContact N-OD1 3.37Å; N38-N47 VanDerWaalsContact N-OD1 3.07Å
39A97.3Very high97.9Very high6 Ų636.5 Ų36.55%0.0524%0.238CC..THydrogen-bonded Turntrans-55.5-41178.400000113.2K7 V16 V35 D36 D37K7-A39 HydrophobicContact CB-CB 4.04Å; V16-A39 HydrophobicContact CG2-CB 3.94Å; V35-A39 HydrophobicContact CG1-CB 4.17Å; D36-A39 HydrophobicContact CB-CB 4.23Å; D36-A39 WeakPolarHBondContact O-CB 3.21Å; D36-A39 PolarHBondContact O-N 2.74Å; D37-A39 PolarHBondContact O-N 2.76Å
40G97.3Very high98Very high0 Ų034.9 Ų34.90%023%0.225CC..THydrogen-bonded Turntrans-90-2.8-17900000115.8N38 G42 S43 G44 F45N38-G40 VanDerWaalsContact C-N 3.28Å; N38-G40 PolarHBondContact O-N 3.01Å; G40-G42 VanDerWaalsContact C-N 3.3Å; G40-G42 PolarHBondContact O-N 3.44Å; G40-S43 CarbonylContact O-C 3.59Å; G40-S43 WeakPolarHBondContact O-CA 3.12Å; G40-S43 PolarHBondContact O-N 3.23Å; G40-G44 PolarHBondContact O-N 3.33Å; G40-F45 CarbonylContact C-O 3.56Å; G40-F45 PolarHBondContact O-N 3.32Å
41A97Very high98.1Very high52 Ų5236.4 Ų36.443%0.4322%0.217SC..G310 helixtrans-58.7-41-170.900000112.2N38 S43 G44 F45N38-A41 HydrophobicContact CB-CB 4.06Å; N38-A41 WeakPolarHBondContact O-CB 3.31Å; N38-A41 PolarHBondContact O-N 3.28Å; A41-S43 PolarHBondContact O-N 2.97Å; A41-G44 PolarHBondContact O-N 3.06Å; A41-F45 PolarHBondContact N-O 2.86Å
42G94.6Very high98.1Very high44 Ų4443.7 Ų43.745%0.45425%0.251SS..G310 helixtrans-65-22.3176.600000114.4A14 G40 P305A14-G42 CarbonylContact O-C 3.5Å; G40-G42 VanDerWaalsContact C-N 3.3Å; G40-G42 PolarHBondContact O-N 3.44Å; G42-P305 WeakPolarHBondContact O-CG 3.39Å
43S96.7Very high98.1Very high2 Ų241 Ų411%0.01424%0.239CC..G310 helixtrans-96.45174.6-69.90000113.1A14 R15 G40 A41 R306 T309A14-S43 PolarHBondContact O-N 3.06Å; A14-S43 VanDerWaalsContact O-N 3.16Å; A14-S43 PolarHBondContact O-OG 3.46Å; R15-S43 WeakPolarHBondContact CA-OG 3.33Å; G40-S43 CarbonylContact O-C 3.59Å; G40-S43 WeakPolarHBondContact O-CA 3.12Å; G40-S43 PolarHBondContact O-N 3.23Å; A41-S43 PolarHBondContact O-N 2.97Å; S43-R306 VanDerWaalsContact O-CB 3.24Å; S43-R306 WeakPolarHBondContact O-CB 3.41Å; S43-R306 WeakPolarHBondContact O-CD 3.19Å; S43-R306 WeakPolarHBondContact O-CG 3.08Å; S43-T309 PolarHBondContact OG-OG1 3.3Å
44G96.8Very high98.1Very high48 Ų4842.9 Ų42.950%0.49526%0.259SS..THydrogen-bonded Turntrans74.426.2-178.500000113.9G40 A41G40-G44 PolarHBondContact O-N 3.33Å; A41-G44 PolarHBondContact O-N 3.06Å
45F98.3Very high98.1Very high19 Ų1943 Ų438%0.08326%0.26CS..  trans-106.6122.7170.2-58-65.5000109.7V16 T19 P20 G40 A41 Q49 Y50 T309 I310V16-F45 HydrophobicContact CG1-CD2 4.33Å; T19-F45 HydrophobicContact CG2-CE2 3.89Å; T19-F45 HydrophobicContact CG2-CZ 3.77Å; P20-F45 HydrophobicContact CG-CB 4.13Å; P20-F45 HydrophobicContact CG-CD1 3.88Å; P20-F45 HydrophobicContact CG-CG 4.16Å; G40-F45 CarbonylContact C-O 3.56Å; G40-F45 PolarHBondContact O-N 3.32Å; A41-F45 PolarHBondContact N-O 2.86Å; F45-Q49 VanDerWaalsContact CA-OE1 3.28Å; F45-Y50 HydrophobicContact CB-CE2 3.86Å; F45-T309 HydrophobicContact CD2-CG2 4.38Å; F45-T309 HydrophobicContact CE2-CG2 3.7Å; F45-I310 HydrophobicContact CZ-CD1 4.28Å; F45-I310 HydrophobicContact CZ-CG1 3.91Å
46T98.5Very high98Very high64 Ų6448.2 Ų48.239%0.39328%0.283SS..  trans-86.7160.5-179.3810000111.5E48 Q49 Y50T46-E48 WeakPolarHBondContact CB-OE2 3.27Å; T46-E48 PolarHBondContact O-N 3.25Å; T46-E48 PolarHBondContact OG1-N 2.85Å; T46-E48 PolarHBondContact OG1-OE2 3.26Å; T46-Q49 WeakPolarHBondContact O-CB 3.43Å; T46-Q49 PolarHBondContact O-N 2.97Å; T46-Q49 VanDerWaalsContact O-N 3.15Å; T46-Q49 PolarHBondContact OG1-N 2.7Å; T46-Y50 WeakPolarHBondContact O-CD2 3.39Å; T46-Y50 PolarHBondContact O-N 3.42Å
47N98.8Very high98.1Very high23 Ų2350.2 Ų50.212%0.12329%0.294CS..Hα-helixtrans-56.4-40.5173.9-78.7-1.5000111.9D37 N38 Q49 Y50 I51 I57D37-N47 PolarHBondContact OD1-ND2 2.96Å; N38-N47 WeakPolarHBondContact CA-OD1 3.43Å; N38-N47 PolarHBondContact N-OD1 3.37Å; N38-N47 VanDerWaalsContact N-OD1 3.07Å; N47-Q49 VanDerWaalsContact C-N 3.26Å; N47-Q49 PolarHBondContact O-N 3.21Å; N47-Y50 PolarHBondContact O-N 2.76Å; N47-Y50 VanDerWaalsContact O-N 3.09Å; N47-I51 WeakPolarHBondContact O-CG1 3.47Å; N47-I51 PolarHBondContact O-N 2.91Å; N47-I57 HydrophobicContact CB-CD1 4.01Å; N47-I57 HydrophobicContact CB-CG1 3.97Å
48E98.8Very high98.1Very high115 Ų11547.8 Ų47.854%0.53728%0.281SS..Hα-helixtrans-59.1-39.2178.4-61.670.7-15300111.3T46 Y50 I51 E52T46-E48 WeakPolarHBondContact CB-OE2 3.27Å; T46-E48 PolarHBondContact O-N 3.25Å; T46-E48 PolarHBondContact OG1-N 2.85Å; T46-E48 PolarHBondContact OG1-OE2 3.26Å; E48-Y50 VanDerWaalsContact C-N 3.34Å; E48-Y50 PolarHBondContact O-N 2.76Å; E48-I51 PolarHBondContact O-N 3.01Å; E48-E52 WeakPolarHBondContact O-CB 3.33Å; E48-E52 WeakPolarHBondContact O-CG 3.42Å; E48-E52 PolarHBondContact O-N 2.98Å
49Q98.8Very high98.1Very high76 Ų7649 Ų4936%0.35529%0.288SS..Hα-helixtrans-66-36.4177.3-63.8179.6-62.900112.2P20 F45 T46 N47 A53P20-Q49 HydrophobicContact CB-CB 4.28Å; P20-Q49 HydrophobicContact CG-CB 3.84Å; F45-Q49 VanDerWaalsContact CA-OE1 3.28Å; T46-Q49 WeakPolarHBondContact O-CB 3.43Å; T46-Q49 PolarHBondContact O-N 2.97Å; T46-Q49 VanDerWaalsContact O-N 3.15Å; T46-Q49 PolarHBondContact OG1-N 2.7Å; N47-Q49 VanDerWaalsContact C-N 3.26Å; N47-Q49 PolarHBondContact O-N 3.21Å; Q49-A53 WeakPolarHBondContact O-CB 2.94Å; Q49-A53 PolarHBondContact O-N 2.71Å; Q49-A53 VanDerWaalsContact O-N 3.13Å
50Y98.9Very high98.1Very high0 Ų051.2 Ų51.20%030%0.301CS..Hα-helixtrans-68.9-38.1173.1-74.6-70.2000112V16 M18 P20 V23 V35 F45 T46 N47 E48 A53 G54 G55V16-Y50 WeakPolarHBondContact CG1-OH 3.25Å; M18-Y50 PolarHBondContact O-OH 2.8Å; P20-Y50 HydrophobicContact CB-CD1 4.34Å; P20-Y50 HydrophobicContact CG-CD1 4.03Å; P20-Y50 HydrophobicContact CG-CE1 3.98Å; P20-Y50 HydrophobicContact CG-CE2 4.45Å; P20-Y50 HydrophobicContact CG-CG 4.33Å; V23-Y50 HydrophobicContact CB-CD1 4.32Å; V23-Y50 HydrophobicContact CG2-CD1 3.67Å; V23-Y50 HydrophobicContact CG2-CE1 3.83Å; V35-Y50 HydrophobicContact CG1-CD1 4.18Å; V35-Y50 HydrophobicContact CG1-CD2 4.06Å; V35-Y50 HydrophobicContact CG1-CE1 4.39Å; V35-Y50 HydrophobicContact CG1-CE2 4.3Å; V35-Y50 HydrophobicContact CG1-CG 3.99Å; V35-Y50 HydrophobicContact CG2-CD1 4.06Å; V35-Y50 HydrophobicContact CG2-CG 4.3Å; F45-Y50 HydrophobicContact CB-CE2 3.86Å; T46-Y50 WeakPolarHBondContact O-CD2 3.39Å; T46-Y50 PolarHBondContact O-N 3.42Å; N47-Y50 PolarHBondContact O-N 2.76Å; N47-Y50 VanDerWaalsContact O-N 3.09Å; E48-Y50 VanDerWaalsContact C-N 3.34Å; E48-Y50 PolarHBondContact O-N 2.76Å; Y50-A53 CarbonylContact O-C 3.6Å; Y50-A53 WeakPolarHBondContact O-CB 3.26Å; Y50-A53 PolarHBondContact O-N 3.27Å; Y50-G54 PolarHBondContact O-N 2.94Å; Y50-G55 WeakPolarHBondContact O-CA 3.5Å; Y50-G55 PolarHBondContact O-N 3.34Å
51I98.8Very high98.1Very high98 Ų9855.9 Ų55.950%0.50333%0.325SS..Hα-helixtrans-63.9-45.8175.3-65.7165.4000110.8N47 E48 A53 G54 I57N47-I51 WeakPolarHBondContact O-CG1 3.47Å; N47-I51 PolarHBondContact O-N 2.91Å; E48-I51 PolarHBondContact O-N 3.01Å; I51-A53 PolarHBondContact O-N 3.45Å; I51-G54 WeakPolarHBondContact O-CA 3.33Å; I51-G54 PolarHBondContact O-N 2.77Å; I51-I57 HydrophobicContact CD1-CG1 3.83Å; I51-I57 HydrophobicContact CG1-CD1 4.38Å; I51-I57 HydrophobicContact CG1-CG1 3.67Å
52E98.8Very high98.2Very high166 Ų16657.8 Ų57.878%0.77633%0.325SS*.Hα-helixtrans-61.3-30175.5-74.7175.8-178.400112.3E48 G54E48-E52 WeakPolarHBondContact O-CB 3.33Å; E48-E52 WeakPolarHBondContact O-CG 3.42Å; E48-E52 PolarHBondContact O-N 2.98Å; E52-G54 PolarHBondContact O-N 3.06Å
53A98.7Very high98.4Very high7 Ų755.7 Ų55.76%0.05830%0.304CS..THydrogen-bonded Turntrans-77.4-2.2172.100000114.1P20 V23 R24 Q49 Y50 I51P20-A53 HydrophobicContact CB-CB 4.11Å; P20-A53 WeakPolarHBondContact O-CB 3.28Å; V23-A53 HydrophobicContact CB-CB 4.28Å; V23-A53 HydrophobicContact CG1-CB 4.17Å; R24-A53 VanDerWaalsContact CA-O 3.28Å; R24-A53 WeakPolarHBondContact CA-O 3.46Å; R24-A53 HydrophobicContact CB-CB 4Å; Q49-A53 WeakPolarHBondContact O-CB 2.94Å; Q49-A53 PolarHBondContact O-N 2.71Å; Q49-A53 VanDerWaalsContact O-N 3.13Å; Y50-A53 CarbonylContact O-C 3.6Å; Y50-A53 WeakPolarHBondContact O-CB 3.26Å; Y50-A53 PolarHBondContact O-N 3.27Å; I51-A53 PolarHBondContact O-N 3.45Å
54G98.6Very high98.4Very high40 Ų4055.7 Ų55.741%0.41230%0.303SS..THydrogen-bonded Turntrans89.64.3-179.200000115Y50 I51 E52Y50-G54 PolarHBondContact O-N 2.94Å; I51-G54 WeakPolarHBondContact O-CA 3.33Å; I51-G54 PolarHBondContact O-N 2.77Å; E52-G54 PolarHBondContact O-N 3.06Å
55G98.6Very high98.5Very high5 Ų556.2 Ų56.25%0.05230%0.297CS..PPolyproline II helixtrans-72.7151.8173.700000112.4V33 Y50V33-G55 WeakPolarHBondContact O-CA 3.31Å; Y50-G55 WeakPolarHBondContact O-CA 3.5Å; Y50-G55 PolarHBondContact O-N 3.34Å
56K98.7Very high98.5Very high110 Ų11055.4 Ų55.448%0.47829%0.294SS..EExtended strand (participates in β ladder)trans-103.8117.8174.7-64.6-177.8-179.6-178.90109.4E32 V33 L34 V35 V58E32-K56 HydrophobicContact CG-CD 4.43Å; E32-K56 WeakPolarHBondContact OE1-CE 3.2Å; E32-K56 IonicContact OE1-NZ 2.79Å; E32-K56 PolarHBondContact OE1-NZ 2.73Å; V33-K56 PolarHBondContact O-N 3.33Å; L34-K56 CarbonylContact C-O 3.52Å; L34-K56 WeakPolarHBondContact CA-O 3.39Å; L34-K56 HydrophobicContact CD2-CB 4.08Å; L34-K56 HydrophobicContact CD2-CD 4.2Å; V35-K56 PolarHBondContact N-O 3.49Å; K56-V58 HydrophobicContact CB-CG1 4.46Å; K56-V58 PolarHBondContact O-N 3.45Å
57I98.8Very high98.4Very high47 Ų4757.2 Ų57.224%0.24130%0.298CS..EExtended strand (participates in β ladder)trans-73.7127173.2-52.2-56.7000108.8V35 D37 N47 I51V35-I57 HydrophobicContact CB-CD1 3.99Å; V35-I57 HydrophobicContact CG1-CD1 4.19Å; V35-I57 WeakPolarHBondContact O-CA 3.43Å; D37-I57 HydrophobicContact CB-CG2 4.11Å; N47-I57 HydrophobicContact CB-CD1 4.01Å; N47-I57 HydrophobicContact CB-CG1 3.97Å; I51-I57 HydrophobicContact CD1-CG1 3.83Å; I51-I57 HydrophobicContact CG1-CD1 4.38Å; I51-I57 HydrophobicContact CG1-CG1 3.67Å
58V98.8Very high98.4Very high16 Ų1656.1 Ų56.110%0.09729%0.292CS..EExtended strand (participates in β ladder)trans-139.1169.5-178.4-61.70000110L34 V35 D36 D37 K56 E62 A63L34-V58 HydrophobicContact CB-CG2 3.88Å; L34-V58 HydrophobicContact CD2-CG1 4.31Å; V35-V58 PolarHBondContact O-N 3.32Å; D36-V58 CarbonylContact C-O 3.45Å; D37-V58 PolarHBondContact N-O 3.45Å; K56-V58 HydrophobicContact CB-CG1 4.46Å; K56-V58 PolarHBondContact O-N 3.45Å; V58-E62 HydrophobicContact CB-CB 3.94Å; V58-E62 HydrophobicContact CB-CG 3.89Å; V58-E62 VanDerWaalsContact CG1-CD 3.48Å; V58-E62 HydrophobicContact CG1-CG 3.99Å; V58-E62 HydrophobicContact CG2-CB 4.15Å; V58-E62 HydrophobicContact CG2-CG 4.16Å; V58-A63 HydrophobicContact CG2-CB 3.8Å
59D98.3Very high98.4Very high92 Ų9250.7 Ų50.749%0.49227%0.267SS..  trans-73.1167.9170.166.446.5000112D61 E62 A63D59-D61 VanDerWaalsContact C-N 3.32Å; D59-D61 PolarHBondContact O-N 3.27Å; D59-D61 PolarHBondContact OD1-N 2.98Å; D59-D61 VanDerWaalsContact OD1-N 3.12Å; D59-E62 PolarHBondContact O-N 3.37Å; D59-E62 WeakPolarHBondContact OD1-CB 3.36Å; D59-E62 PolarHBondContact OD1-N 3.33Å; D59-A63 PolarHBondContact O-N 2.9Å
60T97.5Very high98.4Very high52 Ų5247 Ų4732%0.31925%0.25SC..Hα-helixtrans-59-42.2-177.3-52.10000112.1D36 E62 A63 W64D36-T60 WeakPolarHBondContact OD1-CA 3.31Å; D36-T60 PolarHBondContact OD1-N 2.92Å; D36-T60 PolarHBondContact OD1-OG1 2.95Å; D36-T60 PolarHBondContact OD2-OG1 3.17Å; T60-E62 PolarHBondContact O-N 2.85Å; T60-A63 PolarHBondContact O-N 3.49Å; T60-W64 PolarHBondContact O-N 3.12Å; T60-W64 VanDerWaalsContact O-N 3.11Å
61D97.6Very high98.2Very high97 Ų9747.1 Ų47.152%0.51925%0.25SS..Hα-helixtrans-62.9-43.7-178.6-69.6-6.6000110.9D59 W64 T65 Y82D59-D61 VanDerWaalsContact C-N 3.32Å; D59-D61 PolarHBondContact O-N 3.27Å; D59-D61 PolarHBondContact OD1-N 2.98Å; D59-D61 VanDerWaalsContact OD1-N 3.12Å; D61-W64 PolarHBondContact O-N 3.36Å; D61-T65 WeakPolarHBondContact O-CG2 3.37Å; D61-Y82 HydrophobicContact CB-CE1 4.3Å; D61-Y82 WeakPolarHBondContact OD1-CE1 3.3Å; D61-Y82 PolarHBondContact OD1-OH 2.97Å
62E98.4Very high97.9Very high93 Ų9342.7 Ų42.744%0.43523%0.228SC..Hα-helixtrans-67.7-40.5176.7-177171.7-175.800111.8L34 V58 D59 T60 W64 T65L34-E62 HydrophobicContact CD1-CG 4.46Å; V58-E62 HydrophobicContact CB-CB 3.94Å; V58-E62 HydrophobicContact CB-CG 3.89Å; V58-E62 VanDerWaalsContact CG1-CD 3.48Å; V58-E62 HydrophobicContact CG1-CG 3.99Å; V58-E62 HydrophobicContact CG2-CB 4.15Å; V58-E62 HydrophobicContact CG2-CG 4.16Å; D59-E62 PolarHBondContact O-N 3.37Å; D59-E62 WeakPolarHBondContact OD1-CB 3.36Å; D59-E62 PolarHBondContact OD1-N 3.33Å; T60-E62 PolarHBondContact O-N 2.85Å; E62-W64 VanDerWaalsContact C-N 3.27Å; E62-W64 PolarHBondContact O-N 3.03Å; E62-T65 VanDerWaalsContact O-CB 3.3Å; E62-T65 WeakPolarHBondContact O-CB 3.41Å; E62-T65 WeakPolarHBondContact O-CG2 3.44Å; E62-T65 PolarHBondContact O-N 2.84Å; E62-T65 PolarHBondContact O-OG1 3.27Å
63A98.4Very high97.5Very high0 Ų035.5 Ų35.50%019%0.194CC..Hα-helixtrans-60.5-37.9177.600000112.1I6 D36 V58 D59 T60 T65 A66I6-A63 HydrophobicContact CD1-CB 3.45Å; I6-A63 VanDerWaalsContact CD1-CB 3.45Å; D36-A63 HydrophobicContact CB-CB 3.96Å; V58-A63 HydrophobicContact CG2-CB 3.8Å; D59-A63 PolarHBondContact O-N 2.9Å; T60-A63 PolarHBondContact O-N 3.49Å; A63-T65 PolarHBondContact O-N 3.36Å; A63-A66 PolarHBondContact O-N 2.88Å
64W98.1Very high97Very high1 Ų136.6 Ų36.60%0.00420%0.198CC..THydrogen-bonded Turntrans-70.1-6174.6-83.7107.9000114.4I6 T60 D61 E62 A66 I69 K71 P75 E79 Y82 F83 Q87 I89I6-W64 HydrophobicContact CD1-CD2 4.22Å; I6-W64 HydrophobicContact CD1-CG 4.08Å; I6-W64 HydrophobicContact CG1-CD2 4.34Å; I6-W64 HydrophobicContact CG1-CZ2 4.35Å; I6-W64 HydrophobicContact CG2-CZ2 4.07Å; T60-W64 PolarHBondContact O-N 3.12Å; T60-W64 VanDerWaalsContact O-N 3.11Å; D61-W64 PolarHBondContact O-N 3.36Å; E62-W64 VanDerWaalsContact C-N 3.27Å; E62-W64 PolarHBondContact O-N 3.03Å; W64-A66 VanDerWaalsContact C-N 3.26Å; W64-A66 PolarHBondContact O-N 2.79Å; W64-I69 HydrophobicContact CE3-CD1 4.08Å; W64-I69 HydrophobicContact CE3-CG1 3.87Å; W64-I69 HydrophobicContact CE3-CG2 4.02Å; W64-I69 HydrophobicContact CH2-CG2 4.01Å; W64-I69 HydrophobicContact CZ3-CB 4.31Å; W64-I69 HydrophobicContact CZ3-CG1 4.03Å; W64-I69 HydrophobicContact CZ3-CG2 3.71Å; W64-K71 HydrophobicContact CH2-CD 3.75Å; W64-K71 HydrophobicContact CZ2-CD 3.67Å; W64-P75 HydrophobicContact CH2-CG 4.36Å; W64-E79 HydrophobicContact CZ2-CB 4.02Å; W64-E79 HydrophobicContact CZ2-CG 4.42Å; W64-E79 WeakPolarHBondContact CZ2-OE1 3.22Å; W64-Y82 HydrophobicContact CB-CD1 3.67Å; W64-Y82 HydrophobicContact CB-CE1 4.39Å; W64-Y82 HydrophobicContact CB-CG 3.78Å; W64-Y82 AromaticContact CD1-CD1 3.91Å; W64-Y82 AromaticContact CD1-CD2 3.52Å; W64-Y82 AromaticContact CD1-CE2 3.78Å; W64-Y82 AromaticContact CD1-CG 3.61Å; W64-Y82 VanDerWaalsContact CD2-CB 3.49Å; W64-Y82 AromaticContact CD2-CD2 3.97Å; W64-Y82 HydrophobicContact CD2-CD2 3.97Å; W64-Y82 AromaticContact CD2-CG 3.78Å; W64-Y82 HydrophobicContact CD2-CG 3.78Å; W64-Y82 AromaticContact CE2-CD2 3.8Å; W64-Y82 HydrophobicContact CE3-CG 4.4Å; W64-Y82 AromaticContact CG-CD1 3.8Å; W64-Y82 HydrophobicContact CG-CD1 3.8Å; W64-Y82 AromaticContact CG-CD2 3.82Å; W64-Y82 HydrophobicContact CG-CD2 3.82Å; W64-Y82 HydrophobicContact CG-CE1 4.44Å; W64-Y82 HydrophobicContact CG-CE2 4.46Å; W64-Y82 AromaticContact CG-CG 3.46Å; W64-Y82 HydrophobicContact CG-CG 3.46Å; W64-Y82 VanDerWaalsContact CG-CG 3.46Å; W64-Y82 HydrophobicContact CZ2-CD2 4.5Å; W64-Y82 AromaticContact NE1-CD2 3.52Å; W64-Y82 AromaticContact NE1-CE2 3.85Å; W64-F83 HydrophobicContact CH2-CE1 4.26Å; W64-F83 HydrophobicContact CZ3-CD1 4.21Å; W64-F83 HydrophobicContact CZ3-CE1 4.2Å; W64-Q87 PolarHBondContact O-NE2 3.28Å; W64-I89 HydrophobicContact CH2-CD1 4.45Å; W64-I89 HydrophobicContact CZ3-CD1 3.98Å
65T97.4Very high96.8Very high60 Ų6034.7 Ų34.737%0.36818%0.178SC..THydrogen-bonded Turntrans-77-12.2174.270.70000114.1D61 E62 A63D61-T65 WeakPolarHBondContact O-CG2 3.37Å; E62-T65 VanDerWaalsContact O-CB 3.3Å; E62-T65 WeakPolarHBondContact O-CB 3.41Å; E62-T65 WeakPolarHBondContact O-CG2 3.44Å; E62-T65 PolarHBondContact O-N 2.84Å; E62-T65 PolarHBondContact O-OG1 3.27Å; A63-T65 PolarHBondContact O-N 3.36Å
66A98.4Very high96.6Very high2 Ų237.9 Ų37.92%0.01719%0.193CC..SBendtrans-66.3156.5-178.800000113.4K2 I3 A63 W64 I69 Q87K2-A66 HydrophobicContact CB-CB 4.11Å; I3-A66 VanDerWaalsContact C-CB 3.49Å; A63-A66 PolarHBondContact O-N 2.88Å; W64-A66 VanDerWaalsContact C-N 3.26Å; W64-A66 PolarHBondContact O-N 2.79Å; A66-I69 HydrophobicContact CB-CD1 3.94Å; A66-Q87 PolarHBondContact O-NE2 3.19Å
67E97.7Very high96.3Very high102 Ų10240.3 Ų40.348%0.47721%0.205SC..SBendtrans-75.8-39-179.6-61.1163.5-96.100111.1M1 K2 I88M1-E67 WeakPolarHBondContact CA-OE1 3.19Å; M1-E67 HydrophobicContact CG-CB 4.19Å; K2-E67 PolarHBondContact N-OE1 3.37Å; K2-E67 PolarHBondContact O-N 2.81Å; E67-I88 PolarHBondContact O-N 3.43Å
68L98.5Very high96.1Very high0 Ų041.7 Ų41.70%022%0.22CC..EExtended strand (participates in β ladder)trans-113.3115.4173.8171.461.3000109.9M1 K2 I3 G4 V70 I88 W90 L320 V323M1-L68 HydrophobicContact CE-CB 4.29Å; M1-L68 HydrophobicContact CG-CB 4.41Å; M1-L68 HydrophobicContact SD-CB 3.48Å; M1-L68 WeakPolarHBondContact SD-CB 3.23Å; M1-L68 HydrophobicContact SD-CD2 3.87Å; M1-L68 HydrophobicContact SD-CG 4.35Å; K2-L68 PolarHBondContact O-N 2.75Å; I3-L68 CarbonylContact C-O 3.56Å; I3-L68 VanDerWaalsContact CA-O 3.26Å; I3-L68 WeakPolarHBondContact CA-O 3.37Å; I3-L68 HydrophobicContact CD1-CD2 4.33Å; I3-L68 HydrophobicContact CG1-CB 4.35Å; I3-L68 HydrophobicContact CG1-CD2 4.35Å; I3-L68 HydrophobicContact CG2-CD2 4.35Å; I3-L68 HydrophobicContact CG2-CG 4.29Å; G4-L68 PolarHBondContact N-O 2.81Å; L68-V70 HydrophobicContact CD1-CG2 4.33Å; L68-V70 HydrophobicContact CD2-CG2 4.43Å; L68-V70 HydrophobicContact CG-CG2 4Å; L68-I88 CarbonylContact C-O 3.36Å; L68-I88 WeakPolarHBondContact CA-O 3.48Å; L68-I88 HydrophobicContact CD1-CB 3.8Å; L68-I88 HydrophobicContact CD1-CG2 3.61Å; L68-W90 HydrophobicContact CD1-CB 4.19Å; L68-L320 HydrophobicContact CD2-CD2 4.07Å; L68-V323 HydrophobicContact CD2-CG1 4.38Å
69I98.5Very high96Very high0 Ų041.3 Ų41.30%022%0.217CC..EExtended strand (participates in β ladder)trans-96.6129.4175.9-56.8-57000109.2I6 W64 A66 K71 Q87 I88 I89 W90I6-I69 HydrophobicContact CD1-CD1 4.5Å; I6-I69 HydrophobicContact CD1-CG2 4.35Å; I6-I69 HydrophobicContact CG1-CG2 3.5Å; I6-I69 VanDerWaalsContact CG1-CG2 3.5Å; W64-I69 HydrophobicContact CE3-CD1 4.08Å; W64-I69 HydrophobicContact CE3-CG1 3.87Å; W64-I69 HydrophobicContact CE3-CG2 4.02Å; W64-I69 HydrophobicContact CH2-CG2 4.01Å; W64-I69 HydrophobicContact CZ3-CB 4.31Å; W64-I69 HydrophobicContact CZ3-CG1 4.03Å; W64-I69 HydrophobicContact CZ3-CG2 3.71Å; A66-I69 HydrophobicContact CB-CD1 3.94Å; I69-K71 HydrophobicContact CG2-CD 4.23Å; I69-K71 HydrophobicContact CG2-CG 4.2Å; I69-Q87 HydrophobicContact CG1-CG 3.87Å; I69-I88 PolarHBondContact N-O 3.36Å; I69-I89 HydrophobicContact CB-CG1 4.2Å; I69-W90 PolarHBondContact O-N 3.36Å
70V98.4Very high95.9Very high0 Ų038.2 Ų38.20%020%0.198CC..EExtended strand (participates in β ladder)trans-120116178.7-1730000110.1I3 G4 I6 M18 L68 W90 L320I3-V70 HydrophobicContact CG2-CG2 4.1Å; G4-V70 PolarHBondContact O-N 2.85Å; I6-V70 PolarHBondContact N-O 2.88Å; M18-V70 HydrophobicContact CE-CB 3.86Å; M18-V70 HydrophobicContact CE-CG1 3.96Å; M18-V70 HydrophobicContact CE-CG2 3.5Å; M18-V70 VanDerWaalsContact CE-CG2 3.5Å; M18-V70 HydrophobicContact CG-CG1 4.16Å; L68-V70 HydrophobicContact CD1-CG2 4.33Å; L68-V70 HydrophobicContact CD2-CG2 4.43Å; L68-V70 HydrophobicContact CG-CG2 4Å; V70-W90 HydrophobicContact CG2-CB 4.28Å; V70-L320 HydrophobicContact CG1-CD1 4.11Å; V70-L320 HydrophobicContact CG1-CD2 4.49Å; V70-L320 HydrophobicContact CG2-CD1 4.47Å; V70-L320 HydrophobicContact CG2-CD2 3.73Å
71K95.3Very high95.8Very high2 Ų241.9 Ų41.91%0.00921%0.211CC..EExtended strand (participates in β ladder)trans-127.3168.1-178.9-79-18073.783.30111I6 K7 W64 I69 E79 W90 G91I6-K71 HydrophobicContact CB-CD 3.92Å; I6-K71 HydrophobicContact CB-CG 3.6Å; I6-K71 HydrophobicContact CG1-CD 4.22Å; I6-K71 HydrophobicContact CG1-CG 4.02Å; I6-K71 HydrophobicContact CG2-CD 4.1Å; I6-K71 HydrophobicContact CG2-CG 4.27Å; K7-K71 PolarHBondContact O-NZ 2.88Å; W64-K71 HydrophobicContact CH2-CD 3.75Å; W64-K71 HydrophobicContact CZ2-CD 3.67Å; I69-K71 HydrophobicContact CG2-CD 4.23Å; I69-K71 HydrophobicContact CG2-CG 4.2Å; K71-E79 WeakPolarHBondContact CE-OE1 3.25Å; K71-E79 IonicContact NZ-OE1 3.3Å; K71-E79 PolarHBondContact NZ-OE1 3.29Å; K71-E79 IonicContact NZ-OE2 2.76Å; K71-W90 PolarHBondContact N-O 2.85Å; K71-G91 WeakPolarHBondContact O-CA 3.36Å
72V92.4Very high95.8Very high5 Ų539.4 Ų39.43%0.0320%0.195CC..EExtended strand (participates in β ladder)trans-88-52.7173-177.80000110.2R15 F92 L312R15-V72 HydrophobicContact CB-CB 4.49Å; R15-V72 HydrophobicContact CB-CG1 4.11Å; R15-V72 HydrophobicContact CB-CG2 3.84Å; V72-F92 WeakPolarHBondContact O-CA 3.26Å; V72-F92 WeakPolarHBondContact O-CB 3.31Å; V72-F92 PolarHBondContact O-N 3.01Å; V72-L312 HydrophobicContact CG1-CD1 4.27Å
73K90Very high95.7Very high15 Ų1535.6 Ų35.67%0.06518%0.177CC..EExtended strand (participates in β ladder)trans-108.3169.4-179.6-69.1-61.9-163.1168.20112.8D8 H94D8-K73 WeakPolarHBondContact OD2-CB 3.36Å; D8-K73 PolarHBondContact OD2-N 2.93Å; K73-H94 PolarHBondContact NZ-CE1 2.91Å
74E89Confident95.5Very high29 Ų2940.4 Ų40.414%0.13620%0.198CC..PPolyproline II helixtrans-51.4139.3171.966-75.9173.800112.5K10 M76 L93 H94K10-E74 IonicContact NZ-OE1 2.6Å; K10-E74 PolarHBondContact NZ-OE1 3.24Å; E74-M76 PolarHBondContact O-N 2.78Å; E74-L93 WeakPolarHBondContact CB-O 3.36Å; E74-H94 IonicContact OE2-ND1 2.65Å
75P94.7Very high95Very high0 Ų046.5 Ų46.50%023%0.225CC..PPolyproline II helixtrans-55.1134.9172-25.734.6000111.4W64 E79 Y80 F83 I89 M105W64-P75 HydrophobicContact CH2-CG 4.36Å; P75-E79 WeakPolarHBondContact CA-OE2 3.3Å; P75-E79 HydrophobicContact CB-CB 4.32Å; P75-Y80 HydrophobicContact CB-CD1 4.35Å; P75-Y80 HydrophobicContact CB-CE1 4.16Å; P75-Y80 WeakPolarHBondContact O-CE1 3.32Å; P75-F83 HydrophobicContact CB-CE1 3.78Å; P75-F83 HydrophobicContact CB-CZ 3.65Å; P75-F83 HydrophobicContact CG-CE1 3.85Å; P75-F83 HydrophobicContact CG-CZ 3.82Å; P75-I89 HydrophobicContact CG-CD1 4.23Å; P75-I89 HydrophobicContact CG-CG2 4.2Å; P75-M105 HydrophobicContact CG-CE 3.95Å
76M92.9Very high94.4Very high73 Ų7345.8 Ų45.836%0.3623%0.229SC..PPolyproline II helixtrans-78.6160.4171.9-63.7-169.362.700110.4P9 K10 E74 S78 E79 Y80P9-M76 HydrophobicContact CG-CG 4.35Å; P9-M76 HydrophobicContact CG-SD 3.96Å; K10-M76 HydrophobicContact CB-SD 3.98Å; K10-M76 HydrophobicContact CG-SD 4.39Å; E74-M76 PolarHBondContact O-N 2.78Å; M76-S78 PolarHBondContact O-N 2.87Å; M76-S78 VanDerWaalsContact O-N 3.13Å; M76-E79 HydrophobicContact CB-CG 4.44Å; M76-E79 PolarHBondContact N-OE2 2.89Å; M76-E79 WeakPolarHBondContact O-CA 3.41Å; M76-E79 WeakPolarHBondContact O-CB 3.42Å; M76-E79 PolarHBondContact O-N 2.79Å; M76-Y80 VanDerWaalsContact C-CE1 3.48Å; M76-Y80 WeakPolarHBondContact O-CD1 3.37Å; M76-Y80 WeakPolarHBondContact O-CE1 3.33Å
77E93.5Very high94.3Very high160 Ų16046 Ų4675%0.74823%0.229SC*.G310 helixtrans-54.4-34.5177.9-172.2178.8175.900112.6E79 Y80E77-E79 PolarHBondContact O-N 3.28Å; E77-E79 VanDerWaalsContact O-N 3.1Å; E77-Y80 HydrophobicContact CB-CD2 4.37Å; E77-Y80 HydrophobicContact CB-CE2 4.05Å; E77-Y80 HydrophobicContact CG-CD2 4.13Å; E77-Y80 HydrophobicContact CG-CE2 4.08Å; E77-Y80 WeakPolarHBondContact O-CB 3.24Å; E77-Y80 PolarHBondContact O-N 3.33Å
78S94.4Very high94.2Very high77 Ų7741.5 Ų41.554%0.53821%0.209SC..G310 helixtrans-66.7-3.717460.50000114.7M76 H81M76-S78 PolarHBondContact O-N 2.87Å; M76-S78 VanDerWaalsContact O-N 3.13Å; S78-H81 PolarHBondContact O-CE1 3.16Å; S78-H81 PolarHBondContact O-ND1 2.95Å
79E96.8Very high94.2Very high7 Ų741.5 Ų41.53%0.03321%0.209CC..G310 helixtrans-113.8-7.8-179.9-56.9-179.3103.500112.1P9 W64 K71 P75 M76 E77 H81 Y82P9-E79 HydrophobicContact CG-CG 4.22Å; W64-E79 HydrophobicContact CZ2-CB 4.02Å; W64-E79 HydrophobicContact CZ2-CG 4.42Å; W64-E79 WeakPolarHBondContact CZ2-OE1 3.22Å; K71-E79 WeakPolarHBondContact CE-OE1 3.25Å; K71-E79 IonicContact NZ-OE1 3.3Å; K71-E79 PolarHBondContact NZ-OE1 3.29Å; K71-E79 IonicContact NZ-OE2 2.76Å; P75-E79 WeakPolarHBondContact CA-OE2 3.3Å; P75-E79 HydrophobicContact CB-CB 4.32Å; M76-E79 HydrophobicContact CB-CG 4.44Å; M76-E79 PolarHBondContact N-OE2 2.89Å; M76-E79 WeakPolarHBondContact O-CA 3.41Å; M76-E79 WeakPolarHBondContact O-CB 3.42Å; M76-E79 PolarHBondContact O-N 2.79Å; E77-E79 PolarHBondContact O-N 3.28Å; E77-E79 VanDerWaalsContact O-N 3.1Å; E79-H81 PolarHBondContact O-N 3.47Å; E79-Y82 HydrophobicContact CB-CD2 4.18Å; E79-Y82 WeakPolarHBondContact O-CB 3.25Å; E79-Y82 WeakPolarHBondContact O-CD2 3.32Å; E79-Y82 PolarHBondContact O-N 3.25Å
80Y96.1Very high94.1Very high28 Ų2841.5 Ų41.511%0.1121%0.209CC..G310 helixtrans-63.8-25.5-175.3-72.21.5000113.5P75 M76 E77 Y82 F83 C101 K104P75-Y80 HydrophobicContact CB-CD1 4.35Å; P75-Y80 HydrophobicContact CB-CE1 4.16Å; P75-Y80 WeakPolarHBondContact O-CE1 3.32Å; M76-Y80 VanDerWaalsContact C-CE1 3.48Å; M76-Y80 WeakPolarHBondContact O-CD1 3.37Å; M76-Y80 WeakPolarHBondContact O-CE1 3.33Å; E77-Y80 HydrophobicContact CB-CD2 4.37Å; E77-Y80 HydrophobicContact CB-CE2 4.05Å; E77-Y80 HydrophobicContact CG-CD2 4.13Å; E77-Y80 HydrophobicContact CG-CE2 4.08Å; E77-Y80 WeakPolarHBondContact O-CB 3.24Å; E77-Y80 PolarHBondContact O-N 3.33Å; Y80-Y82 PolarHBondContact O-N 3.24Å; Y80-F83 HydrophobicContact CD1-CE1 4.43Å; Y80-F83 AromaticContact CD1-CE2 3.78Å; Y80-F83 HydrophobicContact CD1-CE2 3.78Å; Y80-F83 AromaticContact CD1-CZ 3.61Å; Y80-F83 HydrophobicContact CD1-CZ 3.61Å; Y80-F83 HydrophobicContact CE1-CE2 4.42Å; Y80-F83 HydrophobicContact CE1-CZ 4.16Å; Y80-F83 HydrophobicContact CG-CE2 4.26Å; Y80-F83 HydrophobicContact CG-CZ 4.47Å; Y80-F83 PolarHBondContact O-N 3.4Å; Y80-C101 HydrophobicContact CE1-CB 4.1Å; Y80-C101 WeakPolarHBondContact OH-CA 3.29Å; Y80-C101 VanDerWaalsContact OH-CB 3.27Å; Y80-C101 WeakPolarHBondContact OH-CB 3.3Å; Y80-C101 PolarHBondContact OH-N 2.81Å; Y80-K104 HydrophobicContact CD2-CB 4.08Å; Y80-K104 HydrophobicContact CD2-CG 4.01Å; Y80-K104 HydrophobicContact CE2-CB 4.48Å; Y80-K104 HydrophobicContact CG-CB 4.37Å; Y80-K104 HydrophobicContact CG-CG 3.98Å
81H95.7Very high93.9Very high128 Ų12841.5 Ų41.559%0.59321%0.209SC*.G310 helixtrans-71-12.7176.767.3-78.8000113.2S78 E79S78-H81 PolarHBondContact O-CE1 3.16Å; S78-H81 PolarHBondContact O-ND1 2.95Å; E79-H81 PolarHBondContact O-N 3.47Å
82Y97.7Very high93.6Very high45 Ų4541.9 Ų41.918%0.17621%0.21CC..G310 helixtrans-82.9-17.2175.8-67.8-61000114.2D61 W64 E79 Y80D61-Y82 HydrophobicContact CB-CE1 4.3Å; D61-Y82 WeakPolarHBondContact OD1-CE1 3.3Å; D61-Y82 PolarHBondContact OD1-OH 2.97Å; W64-Y82 HydrophobicContact CB-CD1 3.67Å; W64-Y82 HydrophobicContact CB-CE1 4.39Å; W64-Y82 HydrophobicContact CB-CG 3.78Å; W64-Y82 AromaticContact CD1-CD1 3.91Å; W64-Y82 AromaticContact CD1-CD2 3.52Å; W64-Y82 AromaticContact CD1-CE2 3.78Å; W64-Y82 AromaticContact CD1-CG 3.61Å; W64-Y82 VanDerWaalsContact CD2-CB 3.49Å; W64-Y82 AromaticContact CD2-CD2 3.97Å; W64-Y82 HydrophobicContact CD2-CD2 3.97Å; W64-Y82 AromaticContact CD2-CG 3.78Å; W64-Y82 HydrophobicContact CD2-CG 3.78Å; W64-Y82 AromaticContact CE2-CD2 3.8Å; W64-Y82 HydrophobicContact CE3-CG 4.4Å; W64-Y82 AromaticContact CG-CD1 3.8Å; W64-Y82 HydrophobicContact CG-CD1 3.8Å; W64-Y82 AromaticContact CG-CD2 3.82Å; W64-Y82 HydrophobicContact CG-CD2 3.82Å; W64-Y82 HydrophobicContact CG-CE1 4.44Å; W64-Y82 HydrophobicContact CG-CE2 4.46Å; W64-Y82 AromaticContact CG-CG 3.46Å; W64-Y82 HydrophobicContact CG-CG 3.46Å; W64-Y82 VanDerWaalsContact CG-CG 3.46Å; W64-Y82 HydrophobicContact CZ2-CD2 4.5Å; W64-Y82 AromaticContact NE1-CD2 3.52Å; W64-Y82 AromaticContact NE1-CE2 3.85Å; E79-Y82 HydrophobicContact CB-CD2 4.18Å; E79-Y82 WeakPolarHBondContact O-CB 3.25Å; E79-Y82 WeakPolarHBondContact O-CD2 3.32Å; E79-Y82 PolarHBondContact O-N 3.25Å; Y80-Y82 PolarHBondContact O-N 3.24Å
83F96Very high93.3Very high14 Ų1441.6 Ų41.66%0.06121%0.209CC..  trans-61.5141.4-175.5-67.3-4.6000111.7W64 P75 Y80 I89 K104 M105 V108 V110W64-F83 HydrophobicContact CH2-CE1 4.26Å; W64-F83 HydrophobicContact CZ3-CD1 4.21Å; W64-F83 HydrophobicContact CZ3-CE1 4.2Å; P75-F83 HydrophobicContact CB-CE1 3.78Å; P75-F83 HydrophobicContact CB-CZ 3.65Å; P75-F83 HydrophobicContact CG-CE1 3.85Å; P75-F83 HydrophobicContact CG-CZ 3.82Å; Y80-F83 HydrophobicContact CD1-CE1 4.43Å; Y80-F83 AromaticContact CD1-CE2 3.78Å; Y80-F83 HydrophobicContact CD1-CE2 3.78Å; Y80-F83 AromaticContact CD1-CZ 3.61Å; Y80-F83 HydrophobicContact CD1-CZ 3.61Å; Y80-F83 HydrophobicContact CE1-CE2 4.42Å; Y80-F83 HydrophobicContact CE1-CZ 4.16Å; Y80-F83 HydrophobicContact CG-CE2 4.26Å; Y80-F83 HydrophobicContact CG-CZ 4.47Å; Y80-F83 PolarHBondContact O-N 3.4Å; F83-I89 HydrophobicContact CD1-CD1 3.67Å; F83-I89 HydrophobicContact CE1-CD1 3.41Å; F83-I89 VanDerWaalsContact CE1-CD1 3.41Å; F83-I89 HydrophobicContact CZ-CD1 4.09Å; F83-K104 HydrophobicContact CD2-CB 4.48Å; F83-K104 HydrophobicContact CD2-CG 3.85Å; F83-K104 HydrophobicContact CE2-CB 4.25Å; F83-K104 HydrophobicContact CE2-CG 4Å; F83-M105 HydrophobicContact CD2-CG 4.31Å; F83-M105 HydrophobicContact CE2-CG 3.72Å; F83-M105 HydrophobicContact CZ-CE 4.16Å; F83-M105 HydrophobicContact CZ-CG 4.2Å; F83-V108 HydrophobicContact CB-CB 4.14Å; F83-V108 HydrophobicContact CB-CG1 3.76Å; F83-V108 HydrophobicContact CB-CG2 4.15Å; F83-V110 HydrophobicContact CB-CG2 3.73Å; F83-V110 HydrophobicContact CD2-CG2 4.25Å; F83-V110 HydrophobicContact CG-CG2 3.98Å
84K93.3Very high92.8Very high101 Ų10142.6 Ų42.644%0.43921%0.213SC..  trans-133.2148.2176.5-59.6179.5-172.5176.80110.9G86 Q87K84-G86 PolarHBondContact O-N 3.27Å; K84-Q87 HydrophobicContact CB-CB 4.32Å; K84-Q87 WeakPolarHBondContact O-CB 3.25Å; K84-Q87 PolarHBondContact O-N 2.79Å; K84-Q87 VanDerWaalsContact O-N 3.09Å
85K88Confident92.4Very high129 Ų12941.9 Ų41.956%0.56121%0.211SC*.THydrogen-bonded Turntrans-57.3133.2174.2-173.5165.4-180168.30110.1Q87 V108 E590K85-Q87 PolarHBondContact O-N 2.88Å; K85-V108 VanDerWaalsContact CA-O 3.25Å; K85-V108 WeakPolarHBondContact CA-O 2.92Å; K85-V108 VanDerWaalsContact CB-O 3.3Å; K85-V108 WeakPolarHBondContact CB-O 3.48Å; K85-E590 IonicContact NZ-OE1 2.87Å; K85-E590 PolarHBondContact NZ-OE1 3.32Å
86G86.3Confident91Very high44 Ų4446.4 Ų46.445%0.45425%0.248SC..THydrogen-bonded Turntrans77.5-1.7-178.100000115.1K84 G109K84-G86 PolarHBondContact O-N 3.27Å; G86-G109 PolarHBondContact N-O 3.47Å
87Q95.1Very high89.8Confident6 Ų646.9 Ų46.93%0.02826%0.263CS..  trans-71.8141.3175.3-170.5172.954.600110.5W64 A66 I69 K84 K85 V110 T111W64-Q87 PolarHBondContact O-NE2 3.28Å; A66-Q87 PolarHBondContact O-NE2 3.19Å; I69-Q87 HydrophobicContact CG1-CG 3.87Å; K84-Q87 HydrophobicContact CB-CB 4.32Å; K84-Q87 WeakPolarHBondContact O-CB 3.25Å; K84-Q87 PolarHBondContact O-N 2.79Å; K84-Q87 VanDerWaalsContact O-N 3.09Å; K85-Q87 PolarHBondContact O-N 2.88Å; Q87-V110 WeakPolarHBondContact O-CA 3.39Å; Q87-T111 PolarHBondContact O-N 2.83Å
88I96.5Very high89Confident8 Ų841.1 Ų41.14%0.04124%0.238CC..EExtended strand (participates in β ladder)trans-103128.3176.7-51.3165.2000108M1 E67 L68 I69 T111 L113 V323 L328M1-I88 HydrophobicContact CE-CD1 4.26Å; E67-I88 PolarHBondContact O-N 3.43Å; L68-I88 CarbonylContact C-O 3.36Å; L68-I88 WeakPolarHBondContact CA-O 3.48Å; L68-I88 HydrophobicContact CD1-CB 3.8Å; L68-I88 HydrophobicContact CD1-CG2 3.61Å; I69-I88 PolarHBondContact N-O 3.36Å; I88-T111 CarbonylContact C-O 3.51Å; I88-T111 WeakPolarHBondContact CA-O 3.44Å; I88-T111 HydrophobicContact CG2-CG2 4.48Å; I88-L113 HydrophobicContact CG2-CD1 3.84Å; I88-L113 HydrophobicContact CG2-CG 4.27Å; I88-V323 HydrophobicContact CD1-CG1 3.91Å; I88-L328 HydrophobicContact CD1-CB 3.84Å; I88-L328 HydrophobicContact CD1-CD1 4.16Å; I88-L328 HydrophobicContact CD1-CD2 4.29Å; I88-L328 HydrophobicContact CD1-CG 4.31Å; I88-L328 HydrophobicContact CG1-CD2 4.21Å
89I97.7Very high88.4Confident0 Ų044.4 Ų44.40%024%0.243CC..EExtended strand (participates in β ladder)trans-113.6119.4173.7-58.2-175.4000108.9W64 I69 P75 F83 L93 M105 V110 T111 A112 L113W64-I89 HydrophobicContact CH2-CD1 4.45Å; W64-I89 HydrophobicContact CZ3-CD1 3.98Å; I69-I89 HydrophobicContact CB-CG1 4.2Å; P75-I89 HydrophobicContact CG-CD1 4.23Å; P75-I89 HydrophobicContact CG-CG2 4.2Å; F83-I89 HydrophobicContact CD1-CD1 3.67Å; F83-I89 HydrophobicContact CE1-CD1 3.41Å; F83-I89 VanDerWaalsContact CE1-CD1 3.41Å; F83-I89 HydrophobicContact CZ-CD1 4.09Å; I89-L93 HydrophobicContact CG2-CD2 4.16Å; I89-M105 HydrophobicContact CB-CE 4.5Å; I89-M105 HydrophobicContact CD1-CE 4.12Å; I89-M105 HydrophobicContact CG2-CE 4.44Å; I89-V110 HydrophobicContact CB-CG1 4.3Å; I89-V110 HydrophobicContact CD1-CG1 3.71Å; I89-V110 HydrophobicContact CG1-CG1 3.7Å; I89-T111 PolarHBondContact N-O 3.25Å; I89-A112 WeakPolarHBondContact O-CA 3.43Å; I89-L113 PolarHBondContact O-N 3.27Å
90W97.3Very high87.9Confident0 Ų046.8 Ų46.80%026%0.263CS..EExtended strand (participates in β ladder)trans-107.3134.9175.4178.6-71.7000110.6L68 I69 V70 K71 L113 I118 L126 N316 F319 L320 L338L68-W90 HydrophobicContact CD1-CB 4.19Å; I69-W90 PolarHBondContact O-N 3.36Å; V70-W90 HydrophobicContact CG2-CB 4.28Å; K71-W90 PolarHBondContact N-O 2.85Å; W90-L113 WeakPolarHBondContact CA-O 3.42Å; W90-L113 HydrophobicContact CD2-CB 4.42Å; W90-L113 HydrophobicContact CE3-CB 3.69Å; W90-L113 HydrophobicContact CE3-CD1 3.84Å; W90-L113 HydrophobicContact CE3-CG 4.42Å; W90-L113 HydrophobicContact CZ3-CB 4.19Å; W90-L113 HydrophobicContact CZ3-CD1 4.16Å; W90-I118 HydrophobicContact CH2-CD1 3.3Å; W90-I118 HydrophobicContact CZ2-CD1 3.98Å; W90-I118 HydrophobicContact CZ3-CD1 3.99Å; W90-L126 HydrophobicContact CZ2-CD1 4.34Å; W90-N316 HydrophobicContact CZ2-CB 3.96Å; W90-N316 PolarHBondContact NE1-ND2 2.94Å; W90-F319 HydrophobicContact CH2-CB 3.25Å; W90-F319 AromaticContact CH2-CD2 3.98Å; W90-F319 HydrophobicContact CH2-CD2 3.98Å; W90-F319 AromaticContact CH2-CG 3.81Å; W90-F319 HydrophobicContact CH2-CG 3.81Å; W90-F319 HydrophobicContact CZ2-CB 4.18Å; W90-F319 HydrophobicContact CZ2-CD2 4.5Å; W90-F319 HydrophobicContact CZ3-CB 3.68Å; W90-L320 HydrophobicContact CB-CD2 4.01Å; W90-L320 HydrophobicContact CD2-CD2 3.49Å; W90-L320 VanDerWaalsContact CD2-CD2 3.49Å; W90-L320 HydrophobicContact CD2-CG 4.14Å; W90-L320 HydrophobicContact CE3-CD2 3.77Å; W90-L320 HydrophobicContact CE3-CG 4.44Å; W90-L320 HydrophobicContact CG-CD2 3.58Å; W90-L320 HydrophobicContact CG-CG 4.5Å; W90-L320 HydrophobicContact CZ2-CG 4.49Å; W90-L320 HydrophobicContact CZ3-CD2 4.48Å; W90-L338 HydrophobicContact CH2-CD1 4.34Å; W90-L338 HydrophobicContact CZ3-CD1 3.72Å
91G93.5Very high87.5Confident0 Ų045.4 Ų45.40%026%0.258CS..EExtended strand (participates in β ladder)trans178.5-167.9169.900000112.4K71 L93 L113 G115K71-G91 WeakPolarHBondContact O-CA 3.36Å; G91-L93 PolarHBondContact O-N 3.24Å; G91-L113 PolarHBondContact N-O 3.47Å; G91-G115 PolarHBondContact O-N 2.74Å
92F89.2Confident86.9Confident10 Ų1040.9 Ų40.94%0.04424%0.239CC..EExtended strand (participates in β ladder)trans-94.383.3166-73.3-119.5000107.3V72 H94 E116 L126 L127 L312V72-F92 WeakPolarHBondContact O-CA 3.26Å; V72-F92 WeakPolarHBondContact O-CB 3.31Å; V72-F92 PolarHBondContact O-N 3.01Å; F92-H94 PolarHBondContact O-CE1 3.24Å; F92-H94 PolarHBondContact O-ND1 2.7Å; F92-E116 WeakPolarHBondContact CA-OE2 3.23Å; F92-E116 HydrophobicContact CD1-CB 3.68Å; F92-E116 HydrophobicContact CE1-CB 4.11Å; F92-E116 HydrophobicContact CG-CB 4.39Å; F92-L126 HydrophobicContact CZ-CB 3.92Å; F92-L126 WeakPolarHBondContact CZ-O 3.4Å; F92-L127 HydrophobicContact CD1-CD2 3.9Å; F92-L127 HydrophobicContact CE1-CD2 3.74Å; F92-L127 HydrophobicContact CE1-CG 4.16Å; F92-L312 HydrophobicContact CD2-CD2 4.26Å; F92-L312 HydrophobicContact CE1-CD2 3.93Å; F92-L312 HydrophobicContact CE2-CD2 3.5Å; F92-L312 VanDerWaalsContact CE2-CD2 3.5Å; F92-L312 HydrophobicContact CZ-CD2 3.3Å
93L86.8Confident86.3Confident0 Ų043.2 Ų43.20%025%0.251CS..  trans-90.3-9.5-155.7-57.5178.2000115.2E74 I89 G91 L95 A112 E116E74-L93 WeakPolarHBondContact CB-O 3.36Å; I89-L93 HydrophobicContact CG2-CD2 4.16Å; G91-L93 PolarHBondContact O-N 3.24Å; L93-L95 HydrophobicContact CB-CD1 4.2Å; L93-L95 HydrophobicContact CB-CD2 4.11Å; L93-L95 HydrophobicContact CB-CG 3.68Å; L93-L95 HydrophobicContact CD1-CD1 4.13Å; L93-L95 HydrophobicContact CD1-CG 4.5Å; L93-L95 PolarHBondContact O-N 2.97Å; L93-A112 HydrophobicContact CD1-CB 3.85Å; L93-E116 PolarHBondContact N-OE1 2.94Å; L93-E116 PolarHBondContact N-OE2 2.89Å; L93-E116 VanDerWaalsContact N-OE2 3.16Å
94H79.6Confident86.1Confident35 Ų3545.1 Ų45.116%0.16226%0.26CS..  trans41.236.2176.8-55.384.9000114.3K73 E74 F92 A96 A97 E116 Q269K73-H94 PolarHBondContact NZ-CE1 2.91Å; E74-H94 IonicContact OE2-ND1 2.65Å; F92-H94 PolarHBondContact O-CE1 3.24Å; F92-H94 PolarHBondContact O-ND1 2.7Å; H94-A96 PolarHBondContact O-N 3.13Å; H94-A96 VanDerWaalsContact O-N 3.1Å; H94-A97 PolarHBondContact O-N 3.24Å; H94-E116 WeakPolarHBondContact CA-OE1 3.5Å; H94-E116 PolarHBondContact N-OE1 3.11Å; H94-Q269 PolarHBondContact CD2-NE2 2.91Å
95L79.8Confident85.9Confident14 Ų1440.3 Ų40.37%0.07324%0.239CC..G310 helixtrans-64.2-25.6-165.1-73-179000113.2L93 A97 N98 C101 V102 M105 A112 V344L93-L95 HydrophobicContact CB-CD1 4.2Å; L93-L95 HydrophobicContact CB-CD2 4.11Å; L93-L95 HydrophobicContact CB-CG 3.68Å; L93-L95 HydrophobicContact CD1-CD1 4.13Å; L93-L95 HydrophobicContact CD1-CG 4.5Å; L93-L95 PolarHBondContact O-N 2.97Å; L95-A97 PolarHBondContact O-N 3.43Å; L95-A97 VanDerWaalsContact O-N 3.12Å; L95-N98 PolarHBondContact O-N 3.43Å; L95-C101 HydrophobicContact CD2-CB 4.21Å; L95-V102 HydrophobicContact CB-CG2 3.65Å; L95-V102 HydrophobicContact CD1-CG2 4.34Å; L95-V102 HydrophobicContact CD2-CG2 3.97Å; L95-V102 HydrophobicContact CG-CG2 4.17Å; L95-M105 HydrophobicContact CD1-SD 4.02Å; L95-M105 HydrophobicContact CD2-CE 4.27Å; L95-M105 HydrophobicContact CD2-SD 4.08Å; L95-A112 HydrophobicContact CD1-CB 3.75Å; L95-V344 HydrophobicContact CD1-CG2 4.15Å
96A66.2Low85.8Confident96 Ų9637.2 Ų37.279%0.79323%0.227SC*.G310 helixtrans-55.3-28.917400000113.2H94H94-A96 PolarHBondContact O-N 3.13Å; H94-A96 VanDerWaalsContact O-N 3.1Å
97A67.4Low85.7Confident82 Ų8241.7 Ų41.768%0.67824%0.236SC*.G310 helixtrans-98.6-2.3178.700000113.8H94 L95H94-A97 PolarHBondContact O-N 3.24Å; L95-A97 PolarHBondContact O-N 3.43Å; L95-A97 VanDerWaalsContact O-N 3.12Å
98N76.3Confident85.4Confident39 Ų3943 Ų4321%0.20925%0.245CC..  trans-127.671.4-173.6-166-14.9000112.2L95 A100 C101 V102L95-N98 PolarHBondContact O-N 3.43Å; N98-A100 VanDerWaalsContact C-N 3.29Å; N98-A100 PolarHBondContact O-N 3.44Å; N98-C101 HydrophobicContact CB-CB 4.11Å; N98-C101 PolarHBondContact O-N 2.85Å; N98-C101 WeakPolarHBondContact OD1-CB 3.25Å; N98-C101 PolarHBondContact OD1-N 2.79Å; N98-C101 VanDerWaalsContact OD1-N 3.16Å; N98-V102 PolarHBondContact O-N 3.33Å
99K80.5Confident84.9Confident147 Ų14742.8 Ų42.864%0.63925%0.245SC*.Hα-helixtrans-52.9-43.4-179.7-179.3177.4169.5-178.70113C101 V102 E103K99-C101 VanDerWaalsContact C-N 3.34Å; K99-C101 PolarHBondContact O-N 3.03Å; K99-V102 PolarHBondContact O-N 3.01Å; K99-E103 VanDerWaalsContact CE-CD 3.41Å; K99-E103 WeakPolarHBondContact CE-OE1 3.49Å; K99-E103 HydrophobicContact CG-CG 4.28Å; K99-E103 IonicContact NZ-OE1 3.72Å; K99-E103 PolarHBondContact NZ-OE1 3.06Å; K99-E103 WeakPolarHBondContact O-CG 3.25Å; K99-E103 PolarHBondContact O-N 3.08Å
100A86.8Confident84.7Confident56 Ų5642.8 Ų42.846%0.46325%0.245SC..Hα-helixtrans-62.3-40.3-178.400000112.2N98 K104N98-A100 VanDerWaalsContact C-N 3.29Å; N98-A100 PolarHBondContact O-N 3.44Å; A100-K104 WeakPolarHBondContact O-CB 3.24Å; A100-K104 PolarHBondContact O-N 2.91Å
101C87.9Confident84.4Confident0 Ų042.8 Ų42.80%025%0.245CC..Hα-helixtrans-64.1-45.9175.5-166.50000111.6Y80 L95 N98 K99 K104 M105Y80-C101 HydrophobicContact CE1-CB 4.1Å; Y80-C101 WeakPolarHBondContact OH-CA 3.29Å; Y80-C101 VanDerWaalsContact OH-CB 3.27Å; Y80-C101 WeakPolarHBondContact OH-CB 3.3Å; Y80-C101 PolarHBondContact OH-N 2.81Å; L95-C101 HydrophobicContact CD2-CB 4.21Å; N98-C101 HydrophobicContact CB-CB 4.11Å; N98-C101 PolarHBondContact O-N 2.85Å; N98-C101 WeakPolarHBondContact OD1-CB 3.25Å; N98-C101 PolarHBondContact OD1-N 2.79Å; N98-C101 VanDerWaalsContact OD1-N 3.16Å; K99-C101 VanDerWaalsContact C-N 3.34Å; K99-C101 PolarHBondContact O-N 3.03Å; C101-K104 PolarHBondContact O-N 2.89Å; C101-M105 WeakPolarHBondContact O-CG 3.36Å; C101-M105 PolarHBondContact O-N 2.81Å
102V83.5Confident84.4Confident32 Ų3242.8 Ų42.819%0.19425%0.245CC..Hα-helixtrans-61.5-46.7178.6179.40000111L95 N98 K99 K104 M105 M106 V344L95-V102 HydrophobicContact CB-CG2 3.65Å; L95-V102 HydrophobicContact CD1-CG2 4.34Å; L95-V102 HydrophobicContact CD2-CG2 3.97Å; L95-V102 HydrophobicContact CG-CG2 4.17Å; N98-V102 PolarHBondContact O-N 3.33Å; K99-V102 PolarHBondContact O-N 3.01Å; V102-K104 VanDerWaalsContact C-N 3.3Å; V102-K104 PolarHBondContact O-N 2.78Å; V102-M105 PolarHBondContact O-N 3.39Å; V102-M106 HydrophobicContact CG1-CE 3.87Å; V102-M106 HydrophobicContact CG1-CG 4.47Å; V102-M106 HydrophobicContact CG1-SD 4.25Å; V102-M106 WeakPolarHBondContact O-CB 2.95Å; V102-M106 VanDerWaalsContact O-CG 3.32Å; V102-M106 WeakPolarHBondContact O-CG 3.34Å; V102-M106 PolarHBondContact O-N 2.89Å; V102-V344 HydrophobicContact CG1-CG2 4.24Å
103E85.3Confident84.6Confident94 Ų9442.3 Ų42.344%0.43924%0.242SC..Hα-helixtrans-58.2-42.9176.3-74.8177.5151.500111.5K99 M106 E107K99-E103 VanDerWaalsContact CE-CD 3.41Å; K99-E103 WeakPolarHBondContact CE-OE1 3.49Å; K99-E103 HydrophobicContact CG-CG 4.28Å; K99-E103 IonicContact NZ-OE1 3.72Å; K99-E103 PolarHBondContact NZ-OE1 3.06Å; K99-E103 WeakPolarHBondContact O-CG 3.25Å; K99-E103 PolarHBondContact O-N 3.08Å; E103-M106 HydrophobicContact CG-CE 4.24Å; E103-M106 PolarHBondContact O-N 3.05Å; E103-E107 WeakPolarHBondContact O-CB 3.47Å; E103-E107 PolarHBondContact O-N 3.47Å
104K90.5Very high84.7Confident54 Ų5442.3 Ų42.324%0.23524%0.242CC..Hα-helixtrans-69.2-40.6178.3-169.170.2-167.41660113.3Y80 F83 A100 C101 V102 M106 E107 V108Y80-K104 HydrophobicContact CD2-CB 4.08Å; Y80-K104 HydrophobicContact CD2-CG 4.01Å; Y80-K104 HydrophobicContact CE2-CB 4.48Å; Y80-K104 HydrophobicContact CG-CB 4.37Å; Y80-K104 HydrophobicContact CG-CG 3.98Å; F83-K104 HydrophobicContact CD2-CB 4.48Å; F83-K104 HydrophobicContact CD2-CG 3.85Å; F83-K104 HydrophobicContact CE2-CB 4.25Å; F83-K104 HydrophobicContact CE2-CG 4Å; A100-K104 WeakPolarHBondContact O-CB 3.24Å; A100-K104 PolarHBondContact O-N 2.91Å; C101-K104 PolarHBondContact O-N 2.89Å; V102-K104 VanDerWaalsContact C-N 3.3Å; V102-K104 PolarHBondContact O-N 2.78Å; K104-M106 VanDerWaalsContact C-N 3.3Å; K104-M106 PolarHBondContact O-N 3.24Å; K104-E107 WeakPolarHBondContact CD-OE2 3.33Å; K104-E107 IonicContact NZ-OE1 2.65Å; K104-E107 PolarHBondContact NZ-OE1 3.15Å; K104-E107 IonicContact NZ-OE2 2.76Å; K104-E107 PolarHBondContact NZ-OE2 2.82Å; K104-E107 PolarHBondContact O-N 2.63Å; K104-V108 HydrophobicContact CD-CG2 4.41Å; K104-V108 HydrophobicContact CG-CG2 4.49Å; K104-V108 WeakPolarHBondContact O-CG2 3.04Å; K104-V108 PolarHBondContact O-N 2.83Å
105M90.6Very high85.2Confident0 Ų040.7 Ų40.70%024%0.235CC..Hα-helixtrans-60.7-43174.4-73.6173.6169.600110.9P75 F83 I89 L95 C101 V102 G109 V110 A112 V344P75-M105 HydrophobicContact CG-CE 3.95Å; F83-M105 HydrophobicContact CD2-CG 4.31Å; F83-M105 HydrophobicContact CE2-CG 3.72Å; F83-M105 HydrophobicContact CZ-CE 4.16Å; F83-M105 HydrophobicContact CZ-CG 4.2Å; I89-M105 HydrophobicContact CB-CE 4.5Å; I89-M105 HydrophobicContact CD1-CE 4.12Å; I89-M105 HydrophobicContact CG2-CE 4.44Å; L95-M105 HydrophobicContact CD1-SD 4.02Å; L95-M105 HydrophobicContact CD2-CE 4.27Å; L95-M105 HydrophobicContact CD2-SD 4.08Å; C101-M105 WeakPolarHBondContact O-CG 3.36Å; C101-M105 PolarHBondContact O-N 2.81Å; V102-M105 PolarHBondContact O-N 3.39Å; M105-G109 PolarHBondContact O-N 3.34Å; M105-V110 HydrophobicContact CB-CB 4.06Å; M105-V110 HydrophobicContact CB-CG1 4.4Å; M105-V110 HydrophobicContact CG-CB 4.19Å; M105-V110 HydrophobicContact CG-CG1 4.09Å; M105-V110 PolarHBondContact O-N 3.32Å; M105-A112 HydrophobicContact CE-CB 4.4Å; M105-A112 HydrophobicContact SD-CB 3.82Å; M105-V344 HydrophobicContact CB-CG1 4.19Å; M105-V344 HydrophobicContact CB-CG2 4.37Å; M105-V344 HydrophobicContact SD-CG2 4.3Å
106M85.4Confident85.4Confident65 Ų6540.6 Ų40.632%0.3223%0.234SC..Hα-helixtrans-64.2-43.9176.4-74.5-172.4-56.700112.5V102 E103 K104 V344 G347 K348V102-M106 HydrophobicContact CG1-CE 3.87Å; V102-M106 HydrophobicContact CG1-CG 4.47Å; V102-M106 HydrophobicContact CG1-SD 4.25Å; V102-M106 WeakPolarHBondContact O-CB 2.95Å; V102-M106 VanDerWaalsContact O-CG 3.32Å; V102-M106 WeakPolarHBondContact O-CG 3.34Å; V102-M106 PolarHBondContact O-N 2.89Å; E103-M106 HydrophobicContact CG-CE 4.24Å; E103-M106 PolarHBondContact O-N 3.05Å; K104-M106 VanDerWaalsContact C-N 3.3Å; K104-M106 PolarHBondContact O-N 3.24Å; M106-V344 HydrophobicContact CG-CG1 3.91Å; M106-G347 CarbonylContact O-C 3.54Å; M106-G347 WeakPolarHBondContact O-CA 3.44Å; M106-K348 HydrophobicContact CB-CB 4.28Å; M106-K348 PolarHBondContact O-N 2.95Å
107E83.8Confident86.2Confident138 Ų13839.6 Ų39.665%0.64522%0.215SC*.Hα-helixtrans-60.1-44.4177.6-175.6-157.7139.800111.9E103 K104E103-E107 WeakPolarHBondContact O-CB 3.47Å; E103-E107 PolarHBondContact O-N 3.47Å; K104-E107 WeakPolarHBondContact CD-OE2 3.33Å; K104-E107 IonicContact NZ-OE1 2.65Å; K104-E107 PolarHBondContact NZ-OE1 3.15Å; K104-E107 IonicContact NZ-OE2 2.76Å; K104-E107 PolarHBondContact NZ-OE2 2.82Å; K104-E107 PolarHBondContact O-N 2.63Å
108V89.2Confident87.2Confident33 Ų3335.8 Ų35.820%0.218%0.183CC..Hα-helixtrans-82.6-23.2-174.1176.90000112.7F83 K85 K104 V110F83-V108 HydrophobicContact CB-CB 4.14Å; F83-V108 HydrophobicContact CB-CG1 3.76Å; F83-V108 HydrophobicContact CB-CG2 4.15Å; K85-V108 VanDerWaalsContact CA-O 3.25Å; K85-V108 WeakPolarHBondContact CA-O 2.92Å; K85-V108 VanDerWaalsContact CB-O 3.3Å; K85-V108 WeakPolarHBondContact CB-O 3.48Å; K104-V108 HydrophobicContact CD-CG2 4.41Å; K104-V108 HydrophobicContact CG-CG2 4.49Å; K104-V108 WeakPolarHBondContact O-CG2 3.04Å; K104-V108 PolarHBondContact O-N 2.83Å; V108-V110 HydrophobicContact CB-CG2 4.34Å; V108-V110 HydrophobicContact CG1-CG2 4.16Å
109G86.6Confident87.7Confident4 Ų435.6 Ų35.64%0.04119%0.185CC..THydrogen-bonded Turntrans89.634-174.200000113.7G86 M105G86-G109 PolarHBondContact N-O 3.47Å; M105-G109 PolarHBondContact O-N 3.34Å
110V92.3Very high88Confident0 Ų031 Ų310%017%0.167CC..  trans-85.1140.7175.8170.70000109.9F83 Q87 I89 M105 V108 V344F83-V110 HydrophobicContact CB-CG2 3.73Å; F83-V110 HydrophobicContact CD2-CG2 4.25Å; F83-V110 HydrophobicContact CG-CG2 3.98Å; Q87-V110 WeakPolarHBondContact O-CA 3.39Å; I89-V110 HydrophobicContact CB-CG1 4.3Å; I89-V110 HydrophobicContact CD1-CG1 3.71Å; I89-V110 HydrophobicContact CG1-CG1 3.7Å; M105-V110 HydrophobicContact CB-CB 4.06Å; M105-V110 HydrophobicContact CB-CG1 4.4Å; M105-V110 HydrophobicContact CG-CB 4.19Å; M105-V110 HydrophobicContact CG-CG1 4.09Å; M105-V110 PolarHBondContact O-N 3.32Å; V108-V110 HydrophobicContact CB-CG2 4.34Å; V108-V110 HydrophobicContact CG1-CG2 4.16Å; V110-V344 VanDerWaalsContact O-CG1 3.27Å; V110-V344 WeakPolarHBondContact O-CG1 3.45Å
111T92.1Very high87.8Confident0 Ų036.1 Ų36.10%019%0.187CC..EExtended strand (participates in β ladder)trans-94.5132.1166.7-70.90000109.9Q87 I88 I89 L328 L342 V344 Y345 N346Q87-T111 PolarHBondContact O-N 2.83Å; I88-T111 CarbonylContact C-O 3.51Å; I88-T111 WeakPolarHBondContact CA-O 3.44Å; I88-T111 HydrophobicContact CG2-CG2 4.48Å; I89-T111 PolarHBondContact N-O 3.25Å; T111-L328 HydrophobicContact CG2-CD1 4.07Å; T111-L328 HydrophobicContact CG2-CD2 3.68Å; T111-L328 HydrophobicContact CG2-CG 4.5Å; T111-L342 HydrophobicContact CG2-CD1 3.72Å; T111-V344 CarbonylContact C-O 3.09Å; T111-V344 VanDerWaalsContact CA-O 3.3Å; T111-V344 WeakPolarHBondContact CA-O 3.34Å; T111-V344 WeakPolarHBondContact CG2-O 3.08Å; T111-Y345 HydrophobicContact CG2-CD2 4.25Å; T111-N346 PolarHBondContact OG1-N 3.18Å; T111-N346 PolarHBondContact OG1-OD1 2.88Å
112A93.6Very high87.2Confident0 Ų039.2 Ų39.20%022%0.219CC..EExtended strand (participates in β ladder)trans-115.3124.1179.300000111.5I89 L93 L95 M105 S343 V344I89-A112 WeakPolarHBondContact O-CA 3.43Å; L93-A112 HydrophobicContact CD1-CB 3.85Å; L95-A112 HydrophobicContact CD1-CB 3.75Å; M105-A112 HydrophobicContact CE-CB 4.4Å; M105-A112 HydrophobicContact SD-CB 3.82Å; A112-S343 PolarHBondContact O-N 2.87Å; A112-V344 HydrophobicContact CB-CB 3.82Å; A112-V344 HydrophobicContact CB-CG2 3.97Å; A112-V344 PolarHBondContact N-O 3.28Å; A112-V344 PolarHBondContact O-N 3.31Å
113L93.1Very high87Confident0 Ų040.8 Ų40.80%023%0.229CC..EExtended strand (participates in β ladder)trans-110.3107.1173.4-67.3172.4000109.3I88 I89 W90 G91 V323 L328 L332 L338 L342I88-L113 HydrophobicContact CG2-CD1 3.84Å; I88-L113 HydrophobicContact CG2-CG 4.27Å; I89-L113 PolarHBondContact O-N 3.27Å; W90-L113 WeakPolarHBondContact CA-O 3.42Å; W90-L113 HydrophobicContact CD2-CB 4.42Å; W90-L113 HydrophobicContact CE3-CB 3.69Å; W90-L113 HydrophobicContact CE3-CD1 3.84Å; W90-L113 HydrophobicContact CE3-CG 4.42Å; W90-L113 HydrophobicContact CZ3-CB 4.19Å; W90-L113 HydrophobicContact CZ3-CD1 4.16Å; G91-L113 PolarHBondContact N-O 3.47Å; L113-V323 HydrophobicContact CD1-CG2 4.12Å; L113-L328 HydrophobicContact CD1-CD1 4.15Å; L113-L332 HydrophobicContact CD2-CD2 4.16Å; L113-L338 HydrophobicContact CD1-CD1 4.21Å; L113-L338 HydrophobicContact CD2-CD1 4.26Å; L113-L342 HydrophobicContact CD2-CB 4.33Å; L113-L342 HydrophobicContact CD2-CD1 3.96Å
114S88.9Confident86.9Confident0 Ų039 Ų390%022%0.222CC..EExtended strand (participates in β ladder)trans-92103.1-178.4-60.40000109.5E116 N117 G341 S343S114-E116 VanDerWaalsContact C-OE2 3.24Å; S114-E116 WeakPolarHBondContact CA-OE2 3.32Å; S114-E116 VanDerWaalsContact CB-OE2 3.28Å; S114-E116 WeakPolarHBondContact CB-OE2 3.37Å; S114-E116 PolarHBondContact O-N 2.78Å; S114-N117 PolarHBondContact O-N 3.22Å; S114-G341 PolarHBondContact N-O 3.27Å; S114-S343 VanDerWaalsContact CB-OG 3.23Å; S114-S343 WeakPolarHBondContact CB-OG 3.5Å; S114-S343 WeakPolarHBondContact OG-CB 3.29Å; S114-S343 PolarHBondContact OG-OG 3.18Å
115G88.8Confident86.5Confident0 Ų040 Ų400%023%0.227CC..G310 helixtrans-59.9-27.9-178.200000113.2G91 N117 I118 L126G91-G115 PolarHBondContact O-N 2.74Å; G115-N117 PolarHBondContact O-N 2.94Å; G115-I118 PolarHBondContact O-N 3.46Å; G115-L126 WeakPolarHBondContact O-CB 3.32Å; G115-L126 WeakPolarHBondContact O-CD1 3.25Å
116E84.1Confident86.3Confident12 Ų1240.5 Ų40.56%0.05623%0.23CC..G310 helixtrans-68.6-20.717576.2-83.8-150.100114.1F92 L93 H94 S114 L124 L127F92-E116 WeakPolarHBondContact CA-OE2 3.23Å; F92-E116 HydrophobicContact CD1-CB 3.68Å; F92-E116 HydrophobicContact CE1-CB 4.11Å; F92-E116 HydrophobicContact CG-CB 4.39Å; L93-E116 PolarHBondContact N-OE1 2.94Å; L93-E116 PolarHBondContact N-OE2 2.89Å; L93-E116 VanDerWaalsContact N-OE2 3.16Å; H94-E116 WeakPolarHBondContact CA-OE1 3.5Å; H94-E116 PolarHBondContact N-OE1 3.11Å; S114-E116 VanDerWaalsContact C-OE2 3.24Å; S114-E116 WeakPolarHBondContact CA-OE2 3.32Å; S114-E116 VanDerWaalsContact CB-OE2 3.28Å; S114-E116 WeakPolarHBondContact CB-OE2 3.37Å; S114-E116 PolarHBondContact O-N 2.78Å; E116-L124 WeakPolarHBondContact O-CD2 3.45Å; E116-L127 HydrophobicContact CB-CD1 4.04Å; E116-L127 HydrophobicContact CB-CD2 4Å; E116-L127 HydrophobicContact CB-CG 3.97Å
117N83.9Confident86.2Confident76 Ų7639.1 Ų39.141%0.40622%0.223SC..G310 helixtrans-93.1-12.7178.1-69.2-18.2000112.4S114 G115 S119 S343S114-N117 PolarHBondContact O-N 3.22Å; G115-N117 PolarHBondContact O-N 2.94Å; N117-S119 PolarHBondContact O-N 3.28Å; N117-S119 VanDerWaalsContact O-N 3.1Å; N117-S343 PolarHBondContact ND2-OG 2.88Å
118I88.9Confident86.4Confident1 Ų135.9 Ų35.91%0.00521%0.207CC..  trans-63.7115.3178.1-67.3179.7000109.5W90 G115 I120 L126 F319 L338W90-I118 HydrophobicContact CH2-CD1 3.3Å; W90-I118 HydrophobicContact CZ2-CD1 3.98Å; W90-I118 HydrophobicContact CZ3-CD1 3.99Å; G115-I118 PolarHBondContact O-N 3.46Å; I118-I120 HydrophobicContact CG2-CG1 4.41Å; I118-L126 HydrophobicContact CB-CD1 4Å; I118-L126 HydrophobicContact CD1-CD1 3.9Å; I118-L126 HydrophobicContact CG1-CD1 4.43Å; I118-L126 HydrophobicContact CG2-CD1 4.2Å; I118-F319 HydrophobicContact CD1-CD2 4.24Å; I118-F319 HydrophobicContact CD1-CE2 4.43Å; I118-F319 HydrophobicContact CD1-CG 4.33Å; I118-F319 HydrophobicContact CG2-CE1 4.2Å; I118-F319 HydrophobicContact CG2-CE2 3.94Å; I118-F319 HydrophobicContact CG2-CZ 3.63Å; I118-L338 HydrophobicContact CD1-CD1 4.38Å
119S86Confident86.4Confident35 Ų3536.1 Ų36.125%0.24521%0.21CC..  trans-108.5116.7-178.9161.10000110.2N117 G122 V123 S340N117-S119 PolarHBondContact O-N 3.28Å; N117-S119 VanDerWaalsContact O-N 3.1Å; S119-G122 WeakPolarHBondContact OG-CA 3.01Å; S119-G122 PolarHBondContact OG-N 3.28Å; S119-V123 WeakPolarHBondContact CA-O 3.33Å; S119-S340 PolarHBondContact N-OG 3.14Å
120I87.2Confident86.5Confident52 Ų5236.7 Ų36.727%0.26721%0.211SC..BIsolated β-bridgetrans-102.4114173.5-54.2178.5000107.4I118 G122 V123 E125 F319I118-I120 HydrophobicContact CG2-CG1 4.41Å; I120-G122 PolarHBondContact O-N 3.31Å; I120-V123 PolarHBondContact N-O 2.86Å; I120-V123 PolarHBondContact O-N 3.47Å; I120-E125 HydrophobicContact CB-CB 4.36Å; I120-E125 HydrophobicContact CD1-CB 3.83Å; I120-E125 HydrophobicContact CD1-CG 4.25Å; I120-E125 HydrophobicContact CG1-CB 4.23Å; I120-F319 HydrophobicContact CD1-CE2 4.5Å; I120-F319 HydrophobicContact CD1-CZ 4.06Å; I120-F319 HydrophobicContact CG1-CZ 4.42Å
121N82.3Confident86.5Confident162 Ų16238.5 Ų38.587%0.86622%0.224SC*.THydrogen-bonded Turntrans52.838.5-176.1-58.1-51.6000113.4V123N121-V123 VanDerWaalsContact C-N 3.34Å
122G74.3Confident86.6Confident66 Ų6639.4 Ų39.468%0.6823%0.231SC*.THydrogen-bonded Turntrans81.66.2-179.800000115S119 I120S119-G122 WeakPolarHBondContact OG-CA 3.01Å; S119-G122 PolarHBondContact OG-N 3.28Å; I120-G122 PolarHBondContact O-N 3.31Å
123V81Confident86.7Confident65 Ų6540.3 Ų40.339%0.39424%0.236SC..BIsolated β-bridgetrans-117.8133.3-177.9-174.40000110.7S119 I120 N121 E125 K128S119-V123 WeakPolarHBondContact CA-O 3.33Å; I120-V123 PolarHBondContact N-O 2.86Å; I120-V123 PolarHBondContact O-N 3.47Å; N121-V123 VanDerWaalsContact C-N 3.34Å; V123-E125 PolarHBondContact O-N 3.49Å; V123-K128 VanDerWaalsContact CG1-CE 3.47Å
124L83.1Confident86.8Confident56 Ų5640.5 Ų40.529%0.29324%0.238SC..  trans-74.972.6175.6-56.5179.1000110.8E116 L126 L127E116-L124 WeakPolarHBondContact O-CD2 3.45Å; L124-L126 VanDerWaalsContact C-N 3.28Å; L124-L126 PolarHBondContact O-N 2.92Å; L124-L127 HydrophobicContact CB-CB 4.32Å; L124-L127 HydrophobicContact CB-CD1 4.07Å; L124-L127 HydrophobicContact CD1-CD1 3.81Å; L124-L127 PolarHBondContact O-N 3.43Å
125E82.2Confident87.2Confident76 Ų7640.5 Ų40.536%0.35524%0.238SC..G310 helixtrans-61.3-37.1-170.1-159.465.2-154.800112.3I120 V123 L127 K128I120-E125 HydrophobicContact CB-CB 4.36Å; I120-E125 HydrophobicContact CD1-CB 3.83Å; I120-E125 HydrophobicContact CD1-CG 4.25Å; I120-E125 HydrophobicContact CG1-CB 4.23Å; V123-E125 PolarHBondContact O-N 3.49Å; E125-L127 VanDerWaalsContact C-N 3.26Å; E125-L127 PolarHBondContact O-N 3.02Å; E125-K128 WeakPolarHBondContact O-CB 3.3Å; E125-K128 PolarHBondContact O-N 2.66Å; E125-K128 WeakPolarHBondContact OE1-CD 3.47Å; E125-K128 IonicContact OE1-NZ 3.62Å; E125-K128 PolarHBondContact OE1-NZ 3.1Å; E125-K128 WeakPolarHBondContact OE2-CE 3.4Å; E125-K128 IonicContact OE2-NZ 2.62Å; E125-K128 PolarHBondContact OE2-NZ 3.43Å
126L85.6Confident87.6Confident9 Ų946.5 Ų46.55%0.04726%0.26CS..G310 helixtrans-70.3-20.1-178.2-58.8-172.5000113.2W90 F92 G115 I118 L124 G315 F319W90-L126 HydrophobicContact CZ2-CD1 4.34Å; F92-L126 HydrophobicContact CZ-CB 3.92Å; F92-L126 WeakPolarHBondContact CZ-O 3.4Å; G115-L126 WeakPolarHBondContact O-CB 3.32Å; G115-L126 WeakPolarHBondContact O-CD1 3.25Å; I118-L126 HydrophobicContact CB-CD1 4Å; I118-L126 HydrophobicContact CD1-CD1 3.9Å; I118-L126 HydrophobicContact CG1-CD1 4.43Å; I118-L126 HydrophobicContact CG2-CD1 4.2Å; L124-L126 VanDerWaalsContact C-N 3.28Å; L124-L126 PolarHBondContact O-N 2.92Å; L126-G315 VanDerWaalsContact CD2-C 3.46Å; L126-G315 WeakPolarHBondContact CD2-O 3.5Å; L126-F319 HydrophobicContact CD1-CD2 4.24Å; L126-F319 HydrophobicContact CD1-CE2 4.08Å; L126-F319 HydrophobicContact CD2-CE2 4.31Å
127L82.2Confident88.2Confident36 Ų3647.9 Ų47.919%0.18827%0.265CS..G310 helixtrans-84.5-19.7173.9-82173.7000113.8F92 E116 L124 E125 M130 S131F92-L127 HydrophobicContact CD1-CD2 3.9Å; F92-L127 HydrophobicContact CE1-CD2 3.74Å; F92-L127 HydrophobicContact CE1-CG 4.16Å; E116-L127 HydrophobicContact CB-CD1 4.04Å; E116-L127 HydrophobicContact CB-CD2 4Å; E116-L127 HydrophobicContact CB-CG 3.97Å; L124-L127 HydrophobicContact CB-CB 4.32Å; L124-L127 HydrophobicContact CB-CD1 4.07Å; L124-L127 HydrophobicContact CD1-CD1 3.81Å; L124-L127 PolarHBondContact O-N 3.43Å; E125-L127 VanDerWaalsContact C-N 3.26Å; E125-L127 PolarHBondContact O-N 3.02Å; L127-M130 PolarHBondContact O-N 2.88Å; L127-M130 VanDerWaalsContact O-N 3.13Å; L127-S131 PolarHBondContact O-N 2.83Å; L127-S131 PolarHBondContact O-OG 3.46Å; L127-S131 VanDerWaalsContact O-OG 3.1Å
128K88Confident88.9Confident70 Ų7044.2 Ų44.230%0.30425%0.246SC..Hα-helixtrans-55.2-44.1-176.8-72.8-175.7-178.2168.20112.8V123 E125 M130 S131 A132 N175V123-K128 VanDerWaalsContact CG1-CE 3.47Å; E125-K128 WeakPolarHBondContact O-CB 3.3Å; E125-K128 PolarHBondContact O-N 2.66Å; E125-K128 WeakPolarHBondContact OE1-CD 3.47Å; E125-K128 IonicContact OE1-NZ 3.62Å; E125-K128 PolarHBondContact OE1-NZ 3.1Å; E125-K128 WeakPolarHBondContact OE2-CE 3.4Å; E125-K128 IonicContact OE2-NZ 2.62Å; E125-K128 PolarHBondContact OE2-NZ 3.43Å; K128-M130 VanDerWaalsContact C-N 3.34Å; K128-M130 PolarHBondContact O-N 2.92Å; K128-S131 WeakPolarHBondContact O-CB 3.42Å; K128-S131 PolarHBondContact O-N 3.11Å; K128-A132 WeakPolarHBondContact O-CB 3.4Å; K128-A132 PolarHBondContact O-N 3.47Å; K128-N175 PolarHBondContact O-OD1 2.76Å
129P90.6Very high89.4Confident39 Ų3944.2 Ų44.225%0.25325%0.245SC..Hα-helixtrans-66.8-34.2179.6-19.132000113.7A132 I133 A311P129-A132 PolarHBondContact O-N 3.2Å; P129-I133 WeakPolarHBondContact O-CG1 3.4Å; P129-I133 PolarHBondContact O-N 3.11Å; P129-A311 HydrophobicContact CB-CB 3.49Å; P129-A311 VanDerWaalsContact CB-CB 3.49Å; P129-A311 HydrophobicContact CG-CB 4.2Å
130M88.9Confident89.9Confident16 Ų1646.4 Ų46.48%0.07925%0.254CS..Hα-helixtrans-66.3-42.6174.7-64.9-54.794.100110.9R15 L127 K128 A132 I133 A134 P301 A308 A311 L312R15-M130 PolarHBondContact NH1-SD 2.86Å; L127-M130 PolarHBondContact O-N 2.88Å; L127-M130 VanDerWaalsContact O-N 3.13Å; K128-M130 VanDerWaalsContact C-N 3.34Å; K128-M130 PolarHBondContact O-N 2.92Å; M130-A132 VanDerWaalsContact C-N 3.32Å; M130-A132 PolarHBondContact O-N 3.04Å; M130-I133 HydrophobicContact CE-CD1 3.94Å; M130-I133 PolarHBondContact O-N 3.4Å; M130-A134 WeakPolarHBondContact O-CB 3.44Å; M130-A134 PolarHBondContact O-N 3.33Å; M130-P301 HydrophobicContact CB-CG 4.08Å; M130-P301 HydrophobicContact SD-CB 3.59Å; M130-P301 VanDerWaalsContact SD-CB 3.59Å; M130-P301 HydrophobicContact SD-CG 4Å; M130-A308 HydrophobicContact CE-CB 3.84Å; M130-A308 HydrophobicContact SD-CB 4.13Å; M130-A311 HydrophobicContact CE-CB 4.48Å; M130-L312 HydrophobicContact CE-CD1 4.12Å; M130-L312 HydrophobicContact CE-CD2 3.7Å; M130-L312 HydrophobicContact CE-CG 3.55Å; M130-L312 HydrophobicContact CG-CD2 3.83Å; M130-L312 HydrophobicContact SD-CD1 3.95Å; M130-L312 HydrophobicContact SD-CD2 3.94Å; M130-L312 HydrophobicContact SD-CG 3.97Å
131S91.1Very high90.4Very high37 Ų3744.8 Ų44.826%0.25925%0.246SC..Hα-helixtrans-60.2-43.1174.3-59.70000111.4L127 K128 A134 G135 A176L127-S131 PolarHBondContact O-N 2.83Å; L127-S131 PolarHBondContact O-OG 3.46Å; L127-S131 VanDerWaalsContact O-OG 3.1Å; K128-S131 WeakPolarHBondContact O-CB 3.42Å; K128-S131 PolarHBondContact O-N 3.11Å; S131-A134 PolarHBondContact O-N 3.32Å; S131-G135 PolarHBondContact O-N 2.96Å; S131-A176 WeakPolarHBondContact O-CA 3.42Å; S131-A176 WeakPolarHBondContact O-CB 3.49Å
132A94.7Very high91.2Very high19 Ų1937 Ų3716%0.15721%0.205CC..Hα-helixtrans-62.1-47.8177.100000112K128 P129 M130 A134 G135 R136 N175 N179K128-A132 WeakPolarHBondContact O-CB 3.4Å; K128-A132 PolarHBondContact O-N 3.47Å; P129-A132 PolarHBondContact O-N 3.2Å; M130-A132 VanDerWaalsContact C-N 3.32Å; M130-A132 PolarHBondContact O-N 3.04Å; A132-A134 PolarHBondContact O-N 3.42Å; A132-G135 PolarHBondContact O-N 2.98Å; A132-R136 VanDerWaalsContact O-CG 3.28Å; A132-R136 WeakPolarHBondContact O-CG 3.39Å; A132-R136 PolarHBondContact O-N 3.39Å; A132-N175 PolarHBondContact N-OD1 3.15Å; A132-N179 VanDerWaalsContact CA-CG 3.47Å; A132-N179 WeakPolarHBondContact CA-ND2 3.28Å; A132-N179 HydrophobicContact CB-CB 4.39Å; A132-N179 WeakPolarHBondContact CB-ND2 3.33Å
133I95.5Very high92.3Very high19 Ų1936.2 Ų36.210%0.09718%0.183CC..Hα-helixtrans-60.9-47.4176.9-67.6170.5000110.6P129 M130 R136 R137 P301 T304 T307 A308P129-I133 WeakPolarHBondContact O-CG1 3.4Å; P129-I133 PolarHBondContact O-N 3.11Å; M130-I133 HydrophobicContact CE-CD1 3.94Å; M130-I133 PolarHBondContact O-N 3.4Å; I133-R136 PolarHBondContact O-N 2.66Å; I133-R137 HydrophobicContact CG2-CG 4.26Å; I133-R137 WeakPolarHBondContact O-CB 3.35Å; I133-R137 VanDerWaalsContact O-CG 3.31Å; I133-R137 WeakPolarHBondContact O-CG 3.24Å; I133-R137 PolarHBondContact O-N 2.77Å; I133-P301 HydrophobicContact CB-CB 4.41Å; I133-P301 HydrophobicContact CG2-CB 4.08Å; I133-P301 HydrophobicContact CG2-CG 4.49Å; I133-T304 WeakPolarHBondContact CG2-OG1 3.32Å; I133-T307 HydrophobicContact CD1-CG2 3.98Å; I133-T307 HydrophobicContact CG1-CG2 4.34Å; I133-A308 HydrophobicContact CD1-CB 3.76Å
134A95Very high93.1Very high5 Ų538.4 Ų38.44%0.04119%0.185CC..Hα-helixtrans-61.2-47.8-179.300000112M130 S131 A132 R136 R137 A138 I265 M300 P301M130-A134 WeakPolarHBondContact O-CB 3.44Å; M130-A134 PolarHBondContact O-N 3.33Å; S131-A134 PolarHBondContact O-N 3.32Å; A132-A134 PolarHBondContact O-N 3.42Å; A134-R136 PolarHBondContact O-N 3.05Å; A134-R137 PolarHBondContact O-N 3.48Å; A134-A138 WeakPolarHBondContact O-CB 3.38Å; A134-A138 PolarHBondContact O-N 3.02Å; A134-I265 HydrophobicContact CB-CD1 4.29Å; A134-I265 HydrophobicContact CB-CG2 3.63Å; A134-M300 HydrophobicContact CB-CB 4.27Å; A134-M300 HydrophobicContact CB-SD 4.4Å; A134-P301 HydrophobicContact CB-CG 4.47Å
135G97.5Very high93.8Very high0 Ų037.1 Ų37.10%018%0.177CC..Hα-helixtrans-58.1-47.9177.100000112.7S131 A132 R137 A138 A176 A180S131-G135 PolarHBondContact O-N 2.96Å; A132-G135 PolarHBondContact O-N 2.98Å; G135-R137 PolarHBondContact O-N 2.75Å; G135-A138 WeakPolarHBondContact O-CB 3.45Å; G135-A138 PolarHBondContact O-N 3.43Å; G135-A176 VanDerWaalsContact CA-O 3.31Å; G135-A176 WeakPolarHBondContact CA-O 3.31Å; G135-A180 WeakPolarHBondContact O-CA 3.36Å; G135-A180 WeakPolarHBondContact O-CB 3.32Å
136R98.2Very high94.6Very high125 Ų12533.5 Ų33.547%0.47216%0.16SC..Hα-helixtrans-65.3-41.6178.4-64.2-174.7-175.5-163.8-6.4112.6A132 I133 A134 A138 V139 N140 N179 M183A132-R136 VanDerWaalsContact O-CG 3.28Å; A132-R136 WeakPolarHBondContact O-CG 3.39Å; A132-R136 PolarHBondContact O-N 3.39Å; I133-R136 PolarHBondContact O-N 2.66Å; A134-R136 PolarHBondContact O-N 3.05Å; R136-A138 VanDerWaalsContact C-N 3.29Å; R136-A138 PolarHBondContact O-N 3.15Å; R136-V139 PolarHBondContact O-N 2.76Å; R136-N140 PolarHBondContact O-N 2.97Å; R136-N179 HydrophobicContact CG-CB 3.97Å; R136-N179 PolarHBondContact NE-OD1 2.77Å; R136-N179 PolarHBondContact NH2-OD1 3.43Å; R136-M183 HydrophobicContact CB-CG 3.65Å; R136-M183 HydrophobicContact CB-SD 4.28Å; R136-M183 HydrophobicContact CG-CG 3.53Å; R136-M183 HydrophobicContact CG-SD 4.22Å
137R96.8Very high95.2Very high41 Ų4136.3 Ų36.316%0.15517%0.173CC..Hα-helixtrans-65.7-33.4177.3-74.8-165.375.3-135.6-4.2111.9I133 A134 G135 V139 N140 L141 M300 A303I133-R137 HydrophobicContact CG2-CG 4.26Å; I133-R137 WeakPolarHBondContact O-CB 3.35Å; I133-R137 VanDerWaalsContact O-CG 3.31Å; I133-R137 WeakPolarHBondContact O-CG 3.24Å; I133-R137 PolarHBondContact O-N 2.77Å; A134-R137 PolarHBondContact O-N 3.48Å; G135-R137 PolarHBondContact O-N 2.75Å; R137-V139 VanDerWaalsContact C-N 3.28Å; R137-V139 PolarHBondContact O-N 3.31Å; R137-N140 PolarHBondContact O-N 2.88Å; R137-L141 HydrophobicContact CB-CD1 4.26Å; R137-L141 WeakPolarHBondContact O-CB 3.47Å; R137-L141 WeakPolarHBondContact O-CD1 3.27Å; R137-L141 VanDerWaalsContact O-CG 3.27Å; R137-L141 WeakPolarHBondContact O-CG 3.45Å; R137-L141 PolarHBondContact O-N 3.45Å; R137-M300 HydrophobicContact CB-CE 3.96Å; R137-M300 PolarHBondContact NH1-O 3.19Å; R137-A303 VanDerWaalsContact CZ-CB 3.41Å
138A98.4Very high95.9Very high0 Ų041.8 Ų41.80%020%0.195CC..Hα-helixtrans-58.9-40.5179.900000112.1A134 G135 R136 G142 I234 V263 I265 M300A134-A138 WeakPolarHBondContact O-CB 3.38Å; A134-A138 PolarHBondContact O-N 3.02Å; G135-A138 WeakPolarHBondContact O-CB 3.45Å; G135-A138 PolarHBondContact O-N 3.43Å; R136-A138 VanDerWaalsContact C-N 3.29Å; R136-A138 PolarHBondContact O-N 3.15Å; A138-G142 PolarHBondContact O-N 2.94Å; A138-I234 HydrophobicContact CB-CD1 3.86Å; A138-I234 HydrophobicContact CB-CG1 4.24Å; A138-I234 HydrophobicContact CB-CG2 3.75Å; A138-V263 HydrophobicContact CB-CB 4.27Å; A138-V263 HydrophobicContact CB-CG1 3.7Å; A138-I265 HydrophobicContact CB-CD1 4.01Å; A138-I265 HydrophobicContact CB-CG1 4.24Å; A138-M300 HydrophobicContact CB-CE 4.09Å
139V98.6Very high96.3Very high0 Ų045.2 Ų45.20%021%0.212CC..Hα-helixtrans-66.5-47.3174-179.70000111.6R136 R137 L141 G142 Q143 L157 A180 M183 A184 I187 I234R136-V139 PolarHBondContact O-N 2.76Å; R137-V139 VanDerWaalsContact C-N 3.28Å; R137-V139 PolarHBondContact O-N 3.31Å; V139-L141 VanDerWaalsContact C-N 3.31Å; V139-L141 PolarHBondContact O-N 3.39Å; V139-G142 PolarHBondContact O-N 3.37Å; V139-Q143 WeakPolarHBondContact O-CB 3.45Å; V139-Q143 PolarHBondContact O-N 3.36Å; V139-L157 HydrophobicContact CG1-CD2 4.47Å; V139-A180 HydrophobicContact CG2-CB 4.07Å; V139-A180 VanDerWaalsContact CG2-O 3.25Å; V139-A180 WeakPolarHBondContact CG2-O 2.99Å; V139-M183 HydrophobicContact CB-CB 4.02Å; V139-M183 HydrophobicContact CG1-CB 4.23Å; V139-M183 HydrophobicContact CG2-CB 3.98Å; V139-A184 HydrophobicContact CG1-CB 4.29Å; V139-A184 HydrophobicContact CG2-CB 4.2Å; V139-I187 HydrophobicContact CG1-CD1 3.9Å; V139-I234 HydrophobicContact CG2-CD1 3.77Å
140N97.5Very high96.5Very high81 Ų8146.1 Ų46.143%0.43321%0.213SC..Hα-helixtrans-60.1-41.8179.9-68.9-10000112.4R136 R137 Y144 M183R136-N140 PolarHBondContact O-N 2.97Å; R137-N140 PolarHBondContact O-N 2.88Å; N140-Y144 WeakPolarHBondContact O-CB 3.44Å; N140-Y144 PolarHBondContact O-N 2.92Å; N140-M183 VanDerWaalsContact OD1-CE 3.24Å; N140-M183 WeakPolarHBondContact OD1-CE 3.47Å
141L97.6Very high96.9Very high18 Ų1847.6 Ų47.69%0.09423%0.233CC..Hα-helixtrans-72.1-41.7178.7-69162.6000111.1R137 V139 Q143 Y144 Y145 Y295 M300R137-L141 HydrophobicContact CB-CD1 4.26Å; R137-L141 WeakPolarHBondContact O-CB 3.47Å; R137-L141 WeakPolarHBondContact O-CD1 3.27Å; R137-L141 VanDerWaalsContact O-CG 3.27Å; R137-L141 WeakPolarHBondContact O-CG 3.45Å; R137-L141 PolarHBondContact O-N 3.45Å; V139-L141 VanDerWaalsContact C-N 3.31Å; V139-L141 PolarHBondContact O-N 3.39Å; L141-Q143 VanDerWaalsContact C-N 3.35Å; L141-Q143 PolarHBondContact O-N 2.98Å; L141-Y144 PolarHBondContact O-N 3.4Å; L141-Y145 HydrophobicContact CB-CD2 4.49Å; L141-Y145 HydrophobicContact CD2-CE2 4.08Å; L141-Y145 VanDerWaalsContact O-CD2 3.23Å; L141-Y145 WeakPolarHBondContact O-CD2 3.36Å; L141-Y145 PolarHBondContact O-N 3.12Å; L141-Y295 HydrophobicContact CB-CD2 4.47Å; L141-Y295 HydrophobicContact CB-CE2 4.5Å; L141-Y295 HydrophobicContact CD1-CD1 4.3Å; L141-Y295 HydrophobicContact CD1-CD2 4.33Å; L141-Y295 HydrophobicContact CD1-CE1 3.68Å; L141-Y295 HydrophobicContact CD1-CE2 3.73Å; L141-Y295 HydrophobicContact CD2-CD2 4.44Å; L141-Y295 HydrophobicContact CD2-CE2 3.79Å; L141-Y295 HydrophobicContact CG-CE2 4.22Å; L141-M300 HydrophobicContact CD1-CE 3.66Å
142G98Very high97.2Very high0 Ų045.9 Ų45.90%022%0.22CC..Hα-helixtrans-53.1-53.1171.500000111.1A138 V139 Y144 Y145 L146A138-G142 PolarHBondContact O-N 2.94Å; V139-G142 PolarHBondContact O-N 3.37Å; G142-Y144 PolarHBondContact O-N 3.37Å; G142-Y145 PolarHBondContact O-N 3.16Å; G142-L146 VanDerWaalsContact O-CB 3.3Å; G142-L146 WeakPolarHBondContact O-CB 3.42Å; G142-L146 PolarHBondContact O-N 3.16Å
143Q97.9Very high97.3Very high49 Ų4947.9 Ų47.923%0.22923%0.226CC..Hα-helixtrans-57.4-47.9176.2178.4176.2-16.100112.6V139 L141 L146 L157V139-Q143 WeakPolarHBondContact O-CB 3.45Å; V139-Q143 PolarHBondContact O-N 3.36Å; L141-Q143 VanDerWaalsContact C-N 3.35Å; L141-Q143 PolarHBondContact O-N 2.98Å; Q143-L146 WeakPolarHBondContact O-CB 3.42Å; Q143-L146 PolarHBondContact O-N 3.45Å; Q143-L157 HydrophobicContact CB-CB 4.22Å; Q143-L157 HydrophobicContact CB-CD2 3.86Å; Q143-L157 HydrophobicContact CG-CB 4Å
144Y97.9Very high97.3Very high111 Ų11149 Ų4944%0.43524%0.243SC..Hα-helixtrans-62.1-48.6-177.5-177.4-109.2000111.8N140 L141 G142 L146 E147 H150N140-Y144 WeakPolarHBondContact O-CB 3.44Å; N140-Y144 PolarHBondContact O-N 2.92Å; L141-Y144 PolarHBondContact O-N 3.4Å; G142-Y144 PolarHBondContact O-N 3.37Å; Y144-L146 VanDerWaalsContact C-N 3.25Å; Y144-L146 PolarHBondContact O-N 3.11Å; Y144-E147 WeakPolarHBondContact O-CB 3.37Å; Y144-E147 WeakPolarHBondContact O-CG 3.38Å; Y144-E147 PolarHBondContact O-N 3.49Å; Y144-H150 AromaticContact CD1-NE2 3.98Å; Y144-H150 AromaticContact CE1-CE1 3.63Å; Y144-H150 AromaticContact CE1-NE2 3.36Å; Y144-H150 WeakPolarHBondContact CE1-NE2 3.47Å; Y144-H150 AromaticContact CE2-NE2 3.63Å; Y144-H150 AromaticContact CZ-CE1 3.58Å; Y144-H150 AromaticContact CZ-NE2 3.15Å; Y144-H150 PolarHBondContact O-CD2 3.35Å; Y144-H150 PolarHBondContact OH-CE1 3.19Å; Y144-H150 PolarHBondContact OH-NE2 3.24Å
145Y98.4Very high97.3Very high28 Ų2851.4 Ų51.411%0.1126%0.255CS..Hα-helixtrans-75.1-12.5-179.4-71.4-64.4000114.2L141 G142 E147 H150 G152 P285 V286 I293 Y295L141-Y145 HydrophobicContact CB-CD2 4.49Å; L141-Y145 HydrophobicContact CD2-CE2 4.08Å; L141-Y145 VanDerWaalsContact O-CD2 3.23Å; L141-Y145 WeakPolarHBondContact O-CD2 3.36Å; L141-Y145 PolarHBondContact O-N 3.12Å; G142-Y145 PolarHBondContact O-N 3.16Å; Y145-E147 PolarHBondContact O-N 2.93Å; Y145-H150 HydrophobicContact CD1-CB 3.94Å; Y145-H150 AromaticContact CD1-CG 3.97Å; Y145-G152 WeakPolarHBondContact O-CA 3.47Å; Y145-P285 WeakPolarHBondContact OH-CG 3.48Å; Y145-V286 HydrophobicContact CD1-CG1 3.9Å; Y145-V286 HydrophobicContact CD1-CG2 4Å; Y145-V286 HydrophobicContact CD2-CG1 3.7Å; Y145-V286 HydrophobicContact CE1-CG1 3.87Å; Y145-V286 HydrophobicContact CE1-CG2 3.83Å; Y145-V286 HydrophobicContact CE2-CG1 3.65Å; Y145-V286 HydrophobicContact CG-CG1 3.86Å; Y145-I293 WeakPolarHBondContact O-CD1 3.48Å; Y145-Y295 HydrophobicContact CD2-CD2 4.14Å; Y145-Y295 AromaticContact CE2-CD2 3.69Å; Y145-Y295 HydrophobicContact CE2-CD2 3.69Å; Y145-Y295 HydrophobicContact CE2-CE2 4.02Å
146L97.8Very high97.3Very high0 Ų056 Ų560%028%0.279CS..THydrogen-bonded Turntrans-71.5-18.3173.3-162.665.1000112.3G142 Q143 Y144 G152 E153 G154 I155 L157 D231 V232 V261G142-L146 VanDerWaalsContact O-CB 3.3Å; G142-L146 WeakPolarHBondContact O-CB 3.42Å; G142-L146 PolarHBondContact O-N 3.16Å; Q143-L146 WeakPolarHBondContact O-CB 3.42Å; Q143-L146 PolarHBondContact O-N 3.45Å; Y144-L146 VanDerWaalsContact C-N 3.25Å; Y144-L146 PolarHBondContact O-N 3.11Å; L146-G152 CarbonylContact O-C 3.44Å; L146-G152 WeakPolarHBondContact O-CA 3.37Å; L146-E153 HydrophobicContact CD1-CB 4.03Å; L146-E153 PolarHBondContact O-N 3.35Å; L146-G154 PolarHBondContact O-N 3.39Å; L146-I155 HydrophobicContact CD1-CG1 4.42Å; L146-I155 HydrophobicContact CD2-CD1 3.85Å; L146-I155 HydrophobicContact CD2-CG1 3.39Å; L146-I155 HydrophobicContact CG-CG1 3.78Å; L146-L157 HydrophobicContact CD2-CB 3.97Å; L146-L157 HydrophobicContact CD2-CD1 4Å; L146-L157 HydrophobicContact CD2-CG 4.48Å; L146-D231 HydrophobicContact CD1-CB 4.33Å; L146-D231 WeakPolarHBondContact CD1-O 3.21Å; L146-D231 HydrophobicContact CD2-CB 4.13Å; L146-V232 HydrophobicContact CD2-CG2 4.29Å; L146-V261 HydrophobicContact CB-CG2 4.19Å; L146-V261 HydrophobicContact CD1-CG2 4.07Å
147E98Very high97.2Very high69 Ų6950.1 Ų50.132%0.32226%0.256SS..SBendtrans-65.8143.5177.4-61.1176.8-179.600112.2Y144 Y145 Q149 H150 G152Y144-E147 WeakPolarHBondContact O-CB 3.37Å; Y144-E147 WeakPolarHBondContact O-CG 3.38Å; Y144-E147 PolarHBondContact O-N 3.49Å; Y145-E147 PolarHBondContact O-N 2.93Å; E147-Q149 HydrophobicContact CB-CG 4.21Å; E147-Q149 PolarHBondContact O-N 3.45Å; E147-Q149 VanDerWaalsContact O-N 3.08Å; E147-Q149 PolarHBondContact OE2-NE2 3.49Å; E147-H150 PolarHBondContact O-N 3Å; E147-G152 PolarHBondContact O-N 3.16Å
148K97.4Very high97.3Very high151 Ų15150.1 Ų50.166%0.65726%0.262SS*.G310 helixtrans-59.4-31.7-171.4-167.856.7169.6-174.60113.9H150 G151 G152K148-H150 PolarHBondContact O-N 2.99Å; K148-G151 PolarHBondContact O-N 3.36Å; K148-G152 WeakPolarHBondContact CD-O 3.42Å
149Q96.3Very high97.2Very high142 Ų14250.7 Ų50.766%0.66427%0.268SS*.G310 helixtrans-64.4-22.1179.563-175.6-4.200113.6E147E147-Q149 HydrophobicContact CB-CG 4.21Å; E147-Q149 PolarHBondContact O-N 3.45Å; E147-Q149 VanDerWaalsContact O-N 3.08Å; E147-Q149 PolarHBondContact OE2-NE2 3.49Å
150H95.9Very high97.1Very high57 Ų5756.1 Ų56.126%0.26430%0.296SS..G310 helixtrans-95.75.3175-60.8-58.5000113.2Y144 Y145 E147 K148 G152 I293Y144-H150 AromaticContact CD1-NE2 3.98Å; Y144-H150 AromaticContact CE1-CE1 3.63Å; Y144-H150 AromaticContact CE1-NE2 3.36Å; Y144-H150 WeakPolarHBondContact CE1-NE2 3.47Å; Y144-H150 AromaticContact CE2-NE2 3.63Å; Y144-H150 AromaticContact CZ-CE1 3.58Å; Y144-H150 AromaticContact CZ-NE2 3.15Å; Y144-H150 PolarHBondContact O-CD2 3.35Å; Y144-H150 PolarHBondContact OH-CE1 3.19Å; Y144-H150 PolarHBondContact OH-NE2 3.24Å; Y145-H150 HydrophobicContact CD1-CB 3.94Å; Y145-H150 AromaticContact CD1-CG 3.97Å; E147-H150 PolarHBondContact O-N 3Å; K148-H150 PolarHBondContact O-N 2.99Å; H150-G152 VanDerWaalsContact C-N 3.32Å; H150-I293 WeakPolarHBondContact O-CD1 3.18Å
151G95.7Very high96.9Very high48 Ų4860.4 Ų60.450%0.49532%0.319SS..THydrogen-bonded Turntrans86.90.8-17400000114K148K148-G151 PolarHBondContact O-N 3.36Å
152G97.8Very high96.7Very high0 Ų063.4 Ų63.40%035%0.354CS..SBendtrans-67.5176.2178.500000113.2Y145 L146 E147 K148 H150 G154 G259Y145-G152 WeakPolarHBondContact O-CA 3.47Å; L146-G152 CarbonylContact O-C 3.44Å; L146-G152 WeakPolarHBondContact O-CA 3.37Å; E147-G152 PolarHBondContact O-N 3.16Å; K148-G152 WeakPolarHBondContact CD-O 3.42Å; H150-G152 VanDerWaalsContact C-N 3.32Å; G152-G154 PolarHBondContact O-N 3.4Å; G152-G154 VanDerWaalsContact O-N 3.11Å; G152-G259 CarbonylContact C-O 3.5Å; G152-G259 VanDerWaalsContact CA-O 3.23Å; G152-G259 WeakPolarHBondContact CA-O 3.48Å
153E96.5Very high96.6Very high61 Ų6167.7 Ų67.729%0.28538%0.38SS..  trans-57.2-29.2-177.6-166166.8173.200112L146 I155 K257 G259L146-E153 HydrophobicContact CD1-CB 4.03Å; L146-E153 PolarHBondContact O-N 3.35Å; E153-I155 HydrophobicContact CG-CG2 4.13Å; E153-K257 IonicContact OE2-NZ 3.27Å; E153-G259 PolarHBondContact N-O 2.61Å
154G96.4Very high96.4Very high44 Ų4474.1 Ų74.145%0.45441%0.41SS..  trans89.621.5178.700000113.3L146 G152L146-G154 PolarHBondContact O-N 3.39Å; G152-G154 PolarHBondContact O-N 3.4Å; G152-G154 VanDerWaalsContact O-N 3.11Å
155I94.9Very high96.3Very high55 Ų5570.4 Ų70.428%0.28240%0.402SS..  trans-95.2153.5174.672.2165.2000111L146 E153 D231L146-I155 HydrophobicContact CD1-CG1 4.42Å; L146-I155 HydrophobicContact CD2-CD1 3.85Å; L146-I155 HydrophobicContact CD2-CG1 3.39Å; L146-I155 HydrophobicContact CG-CG1 3.78Å; E153-I155 HydrophobicContact CG-CG2 4.13Å; I155-D231 HydrophobicContact CD1-CB 3.92Å; I155-D231 WeakPolarHBondContact CD1-OD1 3.49Å
156L96.9Very high96.3Very high96 Ų9669.2 Ų69.250%0.50340%0.399SS..  trans-88.9107.7168.9178.161.6000107.9P158 G159 I160L156-P158 VanDerWaalsContact C-N 3.33Å; L156-G159 PolarHBondContact O-N 3.07Å; L156-I160 HydrophobicContact CD2-CG2 3.92Å
157L97.5Very high96.4Very high1 Ų170.3 Ų70.31%0.00541%0.405CS..THydrogen-bonded Turntrans-52.5-40.5-172.7-174.765.6000114.2V139 Q143 L146 G159 G166 V168 I187 C189 D231 V232V139-L157 HydrophobicContact CG1-CD2 4.47Å; Q143-L157 HydrophobicContact CB-CB 4.22Å; Q143-L157 HydrophobicContact CB-CD2 3.86Å; Q143-L157 HydrophobicContact CG-CB 4Å; L146-L157 HydrophobicContact CD2-CB 3.97Å; L146-L157 HydrophobicContact CD2-CD1 4Å; L146-L157 HydrophobicContact CD2-CG 4.48Å; L157-G159 VanDerWaalsContact C-N 3.28Å; L157-G159 PolarHBondContact O-N 3.29Å; L157-G166 PolarHBondContact O-N 3.1Å; L157-V168 HydrophobicContact CD1-CG2 4.15Å; L157-V168 HydrophobicContact CD2-CG2 4.13Å; L157-I187 HydrophobicContact CD2-CD1 4.11Å; L157-I187 HydrophobicContact CG-CD1 4.42Å; L157-C189 VanDerWaalsContact CG-SG 3.59Å; L157-C189 PolarHBondContact O-SG 3.25Å; L157-D231 HydrophobicContact CD1-CB 4.26Å; L157-V232 HydrophobicContact CD1-CG2 4.19Å; L157-V232 HydrophobicContact CD2-CG2 4.01Å
158P97.7Very high96.4Very high41 Ų4167 Ų6727%0.26639%0.39SS..THydrogen-bonded Turntrans-68.1-14.6172.9-24.635000116.7L156 A165 I187L156-P158 VanDerWaalsContact C-N 3.33Å; P158-A165 WeakPolarHBondContact O-CB 3.4Å; P158-I187 WeakPolarHBondContact CA-O 3.06Å; P158-I187 HydrophobicContact CB-CB 4.38Å; P158-I187 VanDerWaalsContact CB-O 3.31Å; P158-I187 WeakPolarHBondContact CB-O 3.46Å; P158-I187 HydrophobicContact CG-CB 4.1Å; P158-I187 HydrophobicContact CG-CD1 4.19Å; P158-I187 HydrophobicContact CG-CG1 4.46Å
159G96.2Very high96.5Very high12 Ų1259.9 Ų59.912%0.12436%0.359CS..  trans65.2-167.1-167.800000113.3L156 L157L156-G159 PolarHBondContact O-N 3.07Å; L157-G159 VanDerWaalsContact C-N 3.28Å; L157-G159 PolarHBondContact O-N 3.29Å
160I96.3Very high96.6Very high115 Ų11553.1 Ų53.159%0.5933%0.327SS*.BIsolated β-bridgetrans-146.6173170.257.4169.7000109.2L156 G162 V163L156-I160 HydrophobicContact CD2-CG2 3.92Å; I160-G162 PolarHBondContact O-N 2.9Å; I160-V163 HydrophobicContact CD1-CG2 4.17Å; I160-V163 HydrophobicContact CG1-CB 3.75Å; I160-V163 HydrophobicContact CG1-CG2 3.78Å; I160-V163 PolarHBondContact N-O 3.19Å; I160-V163 CarbonylContact O-C 3.57Å; I160-V163 PolarHBondContact O-N 2.62Å
161D93.9Very high96.7Very high171 Ų17150.4 Ų50.491%0.91432%0.315SS*.THydrogen-bonded Turntrans-54.1126.4174-172.435.2000111.5V163D161-V163 VanDerWaalsContact C-N 3.31Å; D161-V163 PolarHBondContact O-N 3.3Å
162G94.3Very high96.7Very high81 Ų8148.6 Ų48.684%0.83530%0.296SS*.THydrogen-bonded Turntrans78.1-1.5-174.600000116.6I160I160-G162 PolarHBondContact O-N 2.9Å
163V94.9Very high96.6Very high89 Ų8948.6 Ų48.654%0.53930%0.296SS..BIsolated β-bridgetrans-129.2118.5176.4-176.40000109.6I160 D161I160-V163 HydrophobicContact CD1-CG2 4.17Å; I160-V163 HydrophobicContact CG1-CB 3.75Å; I160-V163 HydrophobicContact CG1-CG2 3.78Å; I160-V163 PolarHBondContact N-O 3.19Å; I160-V163 CarbonylContact O-C 3.57Å; I160-V163 PolarHBondContact O-N 2.62Å; D161-V163 VanDerWaalsContact C-N 3.31Å; D161-V163 PolarHBondContact O-N 3.3Å
164E93.7Very high96.4Very high185 Ų18547.4 Ų47.486%0.86430%0.3SS*.PPolyproline II helixtrans-57.5144.7-175.1-65.6-178.8166.800112.9
165A96.8Very high96.2Very high32 Ų3247.7 Ų47.726%0.26429%0.291SS..PPolyproline II helixtrans-72.2156.1170.400000110.5P158 G188P158-A165 WeakPolarHBondContact O-CB 3.4Å; A165-G188 VanDerWaalsContact CB-O 3.28Å; A165-G188 WeakPolarHBondContact CB-O 3.34Å
166G98.1Very high96.2Very high4 Ų445.5 Ų45.54%0.04128%0.282CS..PPolyproline II helixtrans-75.6170.9176.200000113.4L157 C189 H190 D231L157-G166 PolarHBondContact O-N 3.1Å; G166-C189 WeakPolarHBondContact O-CB 3.42Å; G166-H190 PolarHBondContact O-N 3.03Å; G166-D231 VanDerWaalsContact CA-OD2 3.25Å; G166-D231 WeakPolarHBondContact CA-OD2 3.24Å
167T98.8Very high96.2Very high23 Ų2341 Ų4114%0.14126%0.258CS..EExtended strand (participates in β ladder)trans-103.1125.2-177.2-570000110.9V169 H190 I192 D231 V232T167-V169 HydrophobicContact CG2-CG2 4.07Å; T167-H190 CarbonylContact C-O 3.5Å; T167-H190 WeakPolarHBondContact CA-O 3.25Å; T167-I192 HydrophobicContact CG2-CD1 3.94Å; T167-I192 HydrophobicContact CG2-CG1 4.28Å; T167-D231 PolarHBondContact N-OD2 3.45Å; T167-D231 PolarHBondContact O-N 2.85Å; T167-V232 PolarHBondContact O-N 3.41Å
168V98.9Very high96.2Very high0 Ų042.4 Ų42.40%026%0.264CS..EExtended strand (participates in β ladder)trans-107.5115.8174.4-176.50000109.7L157 I170 A184 C189 H190 V191 I192 V232 I234L157-V168 HydrophobicContact CD1-CG2 4.15Å; L157-V168 HydrophobicContact CD2-CG2 4.13Å; V168-I170 HydrophobicContact CG1-CD1 4.42Å; V168-I170 HydrophobicContact CG1-CG1 4.04Å; V168-A184 HydrophobicContact CB-CB 4.08Å; V168-A184 HydrophobicContact CG1-CB 4.29Å; V168-A184 HydrophobicContact CG2-CB 3.89Å; V168-C189 HydrophobicContact CG2-CB 4.1Å; V168-H190 PolarHBondContact N-O 3.3Å; V168-V191 CarbonylContact O-C 3.54Å; V168-V191 WeakPolarHBondContact O-CA 3.18Å; V168-I192 PolarHBondContact O-N 3.17Å; V168-V232 CarbonylContact C-O 3.57Å; V168-V232 WeakPolarHBondContact CA-O 3.35Å; V168-V232 HydrophobicContact CG2-CB 4.37Å; V168-I234 HydrophobicContact CG1-CD1 3.82Å; V168-I234 HydrophobicContact CG1-CG1 4.33Å
169V98.9Very high96.2Very high0 Ų041.1 Ų41.10%026%0.255CS..EExtended strand (participates in β ladder)trans-102.9125178.1-178.10000109.6T167 I192 L194 K226 A230 V232 F233 I234T167-V169 HydrophobicContact CG2-CG2 4.07Å; V169-I192 CarbonylContact C-O 3.44Å; V169-I192 WeakPolarHBondContact CA-O 3.15Å; V169-I192 HydrophobicContact CG1-CB 4.47Å; V169-I192 HydrophobicContact CG2-CB 4.18Å; V169-I192 HydrophobicContact CG2-CD1 4.17Å; V169-I192 HydrophobicContact CG2-CG1 4.48Å; V169-L194 HydrophobicContact CG1-CD1 4.36Å; V169-K226 HydrophobicContact CG1-CB 4.33Å; V169-A230 HydrophobicContact CB-CB 3.88Å; V169-A230 HydrophobicContact CG2-CB 3.55Å; V169-V232 PolarHBondContact N-O 3.27Å; V169-F233 HydrophobicContact CB-CD2 3.98Å; V169-F233 HydrophobicContact CG1-CD2 3.85Å; V169-F233 HydrophobicContact CG1-CE2 4.07Å; V169-F233 CarbonylContact O-C 3.54Å; V169-F233 WeakPolarHBondContact O-CA 3.26Å; V169-I234 PolarHBondContact O-N 3.39Å
170I98.8Very high96.3Very high0 Ų040.6 Ų40.60%025%0.249CC..EExtended strand (participates in β ladder)trans-117.6118.8-174.3-54173.2000109.1V168 A177 A180 A181 V191 I192 I193 L194 I234 T236V168-I170 HydrophobicContact CG1-CD1 4.42Å; V168-I170 HydrophobicContact CG1-CG1 4.04Å; I170-A177 HydrophobicContact CG2-CB 3.72Å; I170-A180 HydrophobicContact CD1-CB 3.83Å; I170-A181 HydrophobicContact CD1-CB 3.88Å; I170-V191 HydrophobicContact CD1-CG1 3.75Å; I170-V191 HydrophobicContact CG1-CG1 4.38Å; I170-I192 PolarHBondContact N-O 3.32Å; I170-I193 HydrophobicContact CD1-CG1 4.49Å; I170-I193 WeakPolarHBondContact O-CA 3.15Å; I170-L194 PolarHBondContact O-N 3Å; I170-I234 CarbonylContact C-O 3.54Å; I170-I234 WeakPolarHBondContact CA-O 3.48Å; I170-I234 HydrophobicContact CG1-CB 4.41Å; I170-T236 HydrophobicContact CG2-CG2 3.86Å
171L98.3Very high96.4Very high1 Ų135.1 Ų35.11%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-91.7118.6173-178.263.4000110.1L194 S218 L223 F233 I234 T236 V237 L247 V248 T272L171-L194 HydrophobicContact CD1-CB 3.96Å; L171-L194 HydrophobicContact CD1-CD1 4.31Å; L171-S218 WeakPolarHBondContact CD1-OG 3.17Å; L171-L223 HydrophobicContact CD1-CD1 4.39Å; L171-L223 HydrophobicContact CD2-CD2 4.4Å; L171-F233 HydrophobicContact CB-CE2 4.14Å; L171-F233 HydrophobicContact CB-CZ 3.67Å; L171-F233 HydrophobicContact CD2-CZ 4.07Å; L171-F233 HydrophobicContact CG-CZ 4.49Å; L171-I234 PolarHBondContact N-O 3.23Å; L171-T236 PolarHBondContact O-N 3.31Å; L171-T236 PolarHBondContact O-OG1 2.97Å; L171-V237 HydrophobicContact CD2-CG2 4.22Å; L171-V237 HydrophobicContact CG-CG2 3.79Å; L171-L247 HydrophobicContact CD2-CB 4.39Å; L171-L247 HydrophobicContact CD2-CD1 4.38Å; L171-V248 HydrophobicContact CD2-CG2 3.87Å; L171-T272 HydrophobicContact CD2-CG2 4.08Å
172G95.9Very high96.7Very high9 Ų929.3 Ų29.39%0.09319%0.19CC..  trans98.2153.3-170.900000112.2A177 L194G172-A177 WeakPolarHBondContact O-CB 3.39Å; G172-L194 WeakPolarHBondContact CA-O 3.37Å; G172-L194 PolarHBondContact N-O 2.99Å
173G94.4Very high96.9Very high1 Ų127.8 Ų27.81%0.0116%0.162CC..  trans-125.220.3-177.100000113.1E195 R200G173-E195 WeakPolarHBondContact CA-OE2 3.43Å; G173-E195 PolarHBondContact N-OE2 3.12Å; G173-R200 VanDerWaalsContact O-CZ 3.23Å; G173-R200 PolarHBondContact O-NE 3.47Å; G173-R200 PolarHBondContact O-NH2 3.13Å
174G92.2Very high97Very high36 Ų3623.6 Ų23.637%0.37114%0.137SC..SBendtrans-73.4-165.517700000114.2A176 A177 E178G174-A176 PolarHBondContact O-N 3.38Å; G174-A177 WeakPolarHBondContact O-CB 3.39Å; G174-A177 PolarHBondContact O-N 3.41Å; G174-E178 PolarHBondContact O-N 3.29Å
175N92.4Very high97.3Very high49 Ų4916 Ų1626%0.26210%0.103SC..Hα-helixtrans-64.6-38-177.2-173.2-87.5000113.4K128 A132 A177 N179K128-N175 PolarHBondContact O-OD1 2.76Å; A132-N175 PolarHBondContact N-OD1 3.15Å; N175-A177 VanDerWaalsContact C-N 3.33Å; N175-N179 PolarHBondContact O-N 3.05Å; N175-N179 VanDerWaalsContact O-N 3.16Å; N175-N179 PolarHBondContact O-ND2 3.27Å; N175-N179 PolarHBondContact OD1-ND2 3Å
176A94.7Very high97.3Very high10 Ų1017.7 Ų17.78%0.08312%0.123CC..Hα-helixtrans-64.3-39.5174.600000111.4S131 G135 G174 N179 A180 T236 I265S131-A176 WeakPolarHBondContact O-CA 3.42Å; S131-A176 WeakPolarHBondContact O-CB 3.49Å; G135-A176 VanDerWaalsContact CA-O 3.31Å; G135-A176 WeakPolarHBondContact CA-O 3.31Å; G174-A176 PolarHBondContact O-N 3.38Å; A176-N179 PolarHBondContact O-N 3.14Å; A176-A180 WeakPolarHBondContact O-CB 3.43Å; A176-A180 PolarHBondContact O-N 3.22Å; A176-T236 HydrophobicContact CB-CG2 4.27Å; A176-I265 HydrophobicContact CB-CD1 4.14Å
177A97.5Very high97.2Very high0 Ų019.7 Ų19.70%013%0.132CC..Hα-helixtrans-64.6-46176.400000112.6I170 G172 G174 N175 N179 A180 A181 T236I170-A177 HydrophobicContact CG2-CB 3.72Å; G172-A177 WeakPolarHBondContact O-CB 3.39Å; G174-A177 WeakPolarHBondContact O-CB 3.39Å; G174-A177 PolarHBondContact O-N 3.41Å; N175-A177 VanDerWaalsContact C-N 3.33Å; A177-N179 VanDerWaalsContact C-N 3.27Å; A177-N179 PolarHBondContact O-N 2.65Å; A177-A180 PolarHBondContact O-N 3.31Å; A177-A181 WeakPolarHBondContact O-CB 3.41Å; A177-A181 PolarHBondContact O-N 3.28Å; A177-T236 HydrophobicContact CB-CG2 4.21Å
178E97.5Very high97.1Very high32 Ų3220.9 Ų20.915%0.1515%0.15CC..Hα-helixtrans-57.1-42.5174.8-77-174.1-95.300111.8G174 A181 D182 R200 L204 R207 Y208G174-E178 PolarHBondContact O-N 3.29Å; E178-A181 PolarHBondContact O-N 3.02Å; E178-D182 WeakPolarHBondContact O-CB 3.31Å; E178-D182 PolarHBondContact O-N 3.46Å; E178-R200 VanDerWaalsContact CG-NH2 3.34Å; E178-R200 IonicContact OE1-CZ 3.85Å; E178-R200 IonicContact OE1-NH1 2.76Å; E178-R200 IonicContact OE1-NH2 3.15Å; E178-R200 PolarHBondContact OE1-NH2 3.32Å; E178-L204 HydrophobicContact CG-CD2 3.88Å; E178-R207 IonicContact OE2-CZ 3.52Å; E178-R207 IonicContact OE2-NE 3.5Å; E178-R207 IonicContact OE2-NH1 3.92Å; E178-R207 PolarHBondContact OE2-NH1 3.28Å; E178-Y208 PolarHBondContact O-OH 2.89Å
179N98.2Very high97.1Very high14 Ų1421 Ų218%0.07515%0.15CC..Hα-helixtrans-72.2-32.6-179.4-85.5-84.5000113.2A132 R136 N175 A176 A177 M183A132-N179 VanDerWaalsContact CA-CG 3.47Å; A132-N179 WeakPolarHBondContact CA-ND2 3.28Å; A132-N179 HydrophobicContact CB-CB 4.39Å; A132-N179 WeakPolarHBondContact CB-ND2 3.33Å; R136-N179 HydrophobicContact CG-CB 3.97Å; R136-N179 PolarHBondContact NE-OD1 2.77Å; R136-N179 PolarHBondContact NH2-OD1 3.43Å; N175-N179 PolarHBondContact O-N 3.05Å; N175-N179 VanDerWaalsContact O-N 3.16Å; N175-N179 PolarHBondContact O-ND2 3.27Å; N175-N179 PolarHBondContact OD1-ND2 3Å; A176-N179 PolarHBondContact O-N 3.14Å; A177-N179 VanDerWaalsContact C-N 3.27Å; A177-N179 PolarHBondContact O-N 2.65Å; N179-M183 WeakPolarHBondContact O-CG 3.35Å; N179-M183 PolarHBondContact O-N 2.81Å
180A98.7Very high97.1Very high0 Ų022.6 Ų22.60%016%0.158CC..Hα-helixtrans-67-47.4169.900000110.7G135 V139 I170 A176 A177 D182 M183 A184 I234G135-A180 WeakPolarHBondContact O-CA 3.36Å; G135-A180 WeakPolarHBondContact O-CB 3.32Å; V139-A180 HydrophobicContact CG2-CB 4.07Å; V139-A180 VanDerWaalsContact CG2-O 3.25Å; V139-A180 WeakPolarHBondContact CG2-O 2.99Å; I170-A180 HydrophobicContact CD1-CB 3.83Å; A176-A180 WeakPolarHBondContact O-CB 3.43Å; A176-A180 PolarHBondContact O-N 3.22Å; A177-A180 PolarHBondContact O-N 3.31Å; A180-D182 PolarHBondContact O-N 2.95Å; A180-M183 PolarHBondContact O-N 3.04Å; A180-A184 WeakPolarHBondContact O-CB 3.44Å; A180-A184 PolarHBondContact O-N 3.22Å; A180-I234 HydrophobicContact CB-CD1 4.06Å
181A98.8Very high97.1Very high0 Ų022.6 Ų22.60%016%0.158CC..Hα-helixtrans-60.2-46.2177.700000111.9I170 A177 E178 M183 A184 V185 V191 I193 Y208I170-A181 HydrophobicContact CD1-CB 3.88Å; A177-A181 WeakPolarHBondContact O-CB 3.41Å; A177-A181 PolarHBondContact O-N 3.28Å; E178-A181 PolarHBondContact O-N 3.02Å; A181-M183 VanDerWaalsContact C-N 3.29Å; A181-M183 PolarHBondContact O-N 2.78Å; A181-A184 PolarHBondContact O-N 3.31Å; A181-V185 VanDerWaalsContact O-CB 3.3Å; A181-V185 WeakPolarHBondContact O-CB 3.42Å; A181-V185 VanDerWaalsContact O-CG2 3.25Å; A181-V185 WeakPolarHBondContact O-CG2 3.34Å; A181-V185 PolarHBondContact O-N 3.17Å; A181-V191 HydrophobicContact CB-CG1 4.15Å; A181-I193 HydrophobicContact CB-CD1 3.79Å; A181-Y208 HydrophobicContact CB-CE1 4.36Å; A181-Y208 HydrophobicContact CB-CE2 4.1Å; A181-Y208 WeakPolarHBondContact CB-OH 3.42Å
182D98.5Very high97.1Very high49 Ų4922.6 Ų22.626%0.26216%0.158SC..Hα-helixtrans-58.3-39.8176.7-73.4-5.9000112E178 A180 G186 R207 Y208E178-D182 WeakPolarHBondContact O-CB 3.31Å; E178-D182 PolarHBondContact O-N 3.46Å; A180-D182 PolarHBondContact O-N 2.95Å; D182-G186 PolarHBondContact O-N 3.26Å; D182-R207 IonicContact OD1-CZ 2.76Å; D182-R207 IonicContact OD1-NE 3.71Å; D182-R207 PolarHBondContact OD1-NE 3.2Å; D182-R207 IonicContact OD1-NH2 3.87Å; D182-R207 PolarHBondContact OD1-NH2 3.07Å; D182-R207 VanDerWaalsContact OD1-NH2 3.15Å; D182-R207 IonicContact OD2-CZ 3.9Å; D182-R207 IonicContact OD2-NH2 2.71Å; D182-R207 PolarHBondContact OD2-NH2 2.78Å; D182-Y208 WeakPolarHBondContact OD1-CE1 3.39Å; D182-Y208 PolarHBondContact OD1-OH 2.85Å
183M98.4Very high97.2Very high50 Ų5022.2 Ų22.225%0.24615%0.153CC..Hα-helixtrans-68.6-46.5176.4-78.1-67.2-59.600112.2R136 V139 N140 N179 A180 A181 G186 I187R136-M183 HydrophobicContact CB-CG 3.65Å; R136-M183 HydrophobicContact CB-SD 4.28Å; R136-M183 HydrophobicContact CG-CG 3.53Å; R136-M183 HydrophobicContact CG-SD 4.22Å; V139-M183 HydrophobicContact CB-CB 4.02Å; V139-M183 HydrophobicContact CG1-CB 4.23Å; V139-M183 HydrophobicContact CG2-CB 3.98Å; N140-M183 VanDerWaalsContact OD1-CE 3.24Å; N140-M183 WeakPolarHBondContact OD1-CE 3.47Å; N179-M183 WeakPolarHBondContact O-CG 3.35Å; N179-M183 PolarHBondContact O-N 2.81Å; A180-M183 PolarHBondContact O-N 3.04Å; A181-M183 VanDerWaalsContact C-N 3.29Å; A181-M183 PolarHBondContact O-N 2.78Å; M183-G186 PolarHBondContact O-N 2.82Å; M183-I187 WeakPolarHBondContact O-CG1 3.11Å; M183-I187 PolarHBondContact O-N 3.16Å; M183-I187 VanDerWaalsContact O-N 3.16Å
184A98.7Very high97.4Very high0 Ų022.1 Ų22.10%015%0.153CC..Hα-helixtrans-65.7-43.7-179.200000111.8V139 V168 A180 A181 G186 I187 G188 C189 V191V139-A184 HydrophobicContact CG1-CB 4.29Å; V139-A184 HydrophobicContact CG2-CB 4.2Å; V168-A184 HydrophobicContact CB-CB 4.08Å; V168-A184 HydrophobicContact CG1-CB 4.29Å; V168-A184 HydrophobicContact CG2-CB 3.89Å; A180-A184 WeakPolarHBondContact O-CB 3.44Å; A180-A184 PolarHBondContact O-N 3.22Å; A181-A184 PolarHBondContact O-N 3.31Å; A184-G186 VanDerWaalsContact C-N 3.32Å; A184-G186 PolarHBondContact O-N 3.02Å; A184-I187 VanDerWaalsContact O-CG1 3.25Å; A184-I187 WeakPolarHBondContact O-CG1 3.21Å; A184-I187 PolarHBondContact O-N 2.91Å; A184-G188 PolarHBondContact O-N 2.63Å; A184-C189 HydrophobicContact CB-CB 4.23Å; A184-C189 WeakPolarHBondContact O-CB 3.28Å; A184-C189 PolarHBondContact O-N 3.2Å; A184-V191 HydrophobicContact CB-CG2 3.53Å
185V98.4Very high97.7Very high27 Ų2721.5 Ų21.516%0.16414%0.14CC..Hα-helixtrans-60.3-43.1171.7169.50000110.8A181 I187 G188 V191 Y208 H211 V213A181-V185 VanDerWaalsContact O-CB 3.3Å; A181-V185 WeakPolarHBondContact O-CB 3.42Å; A181-V185 VanDerWaalsContact O-CG2 3.25Å; A181-V185 WeakPolarHBondContact O-CG2 3.34Å; A181-V185 PolarHBondContact O-N 3.17Å; V185-I187 PolarHBondContact O-N 3.28Å; V185-G188 PolarHBondContact O-N 2.85Å; V185-V191 HydrophobicContact CG2-CG2 3.88Å; V185-Y208 HydrophobicContact CG2-CD1 4.4Å; V185-Y208 HydrophobicContact CG2-CE1 4.49Å; V185-H211 HydrophobicContact CG1-CB 3.97Å; V185-H211 WeakPolarHBondContact CG1-CD2 3.3Å; V185-H211 HydrophobicContact CG2-CB 4.43Å; V185-V213 HydrophobicContact CG2-CG2 3.39Å
186G97.3Very high97.7Very high66 Ų6624.1 Ų24.168%0.6816%0.158SC*.Hα-helixtrans-61.8-26.5-179.900000114.3D182 M183 A184D182-G186 PolarHBondContact O-N 3.26Å; M183-G186 PolarHBondContact O-N 2.82Å; A184-G186 VanDerWaalsContact C-N 3.32Å; A184-G186 PolarHBondContact O-N 3.02Å
187I97Very high97.6Very high46 Ų4627.5 Ų27.524%0.23617%0.174CC..THydrogen-bonded Turntrans-98.79.1174.466.1174.6000113.2V139 L157 P158 M183 A184 V185V139-I187 HydrophobicContact CG1-CD1 3.9Å; L157-I187 HydrophobicContact CD2-CD1 4.11Å; L157-I187 HydrophobicContact CG-CD1 4.42Å; P158-I187 WeakPolarHBondContact CA-O 3.06Å; P158-I187 HydrophobicContact CB-CB 4.38Å; P158-I187 VanDerWaalsContact CB-O 3.31Å; P158-I187 WeakPolarHBondContact CB-O 3.46Å; P158-I187 HydrophobicContact CG-CB 4.1Å; P158-I187 HydrophobicContact CG-CD1 4.19Å; P158-I187 HydrophobicContact CG-CG1 4.46Å; M183-I187 WeakPolarHBondContact O-CG1 3.11Å; M183-I187 PolarHBondContact O-N 3.16Å; M183-I187 VanDerWaalsContact O-N 3.16Å; A184-I187 VanDerWaalsContact O-CG1 3.25Å; A184-I187 WeakPolarHBondContact O-CG1 3.21Å; A184-I187 PolarHBondContact O-N 2.91Å; V185-I187 PolarHBondContact O-N 3.28Å
188G95.9Very high97.4Very high49 Ų4934.2 Ų34.251%0.50521%0.206SC..THydrogen-bonded Turntrans87.59.7171.400000116.2A165 A184 V185A165-G188 VanDerWaalsContact CB-O 3.28Å; A165-G188 WeakPolarHBondContact CB-O 3.34Å; A184-G188 PolarHBondContact O-N 2.63Å; V185-G188 PolarHBondContact O-N 2.85Å
189C98.4Very high97.3Very high2 Ų237.6 Ų37.61%0.01423%0.225CC..  trans-69.8156.4-179.5-59.80000112.9L157 G166 V168 A184 V191L157-C189 VanDerWaalsContact CG-SG 3.59Å; L157-C189 PolarHBondContact O-SG 3.25Å; G166-C189 WeakPolarHBondContact O-CB 3.42Å; V168-C189 HydrophobicContact CG2-CB 4.1Å; A184-C189 HydrophobicContact CB-CB 4.23Å; A184-C189 WeakPolarHBondContact O-CB 3.28Å; A184-C189 PolarHBondContact O-N 3.2Å; C189-V191 HydrophobicContact CB-CG2 4.48Å
190H98.5Very high97.1Very high34 Ų3439.3 Ų39.316%0.15723%0.23CC..EExtended strand (participates in β ladder)trans-74.3131.7156.6177.7-140.9000108.9G166 T167 V168 N212 D214G166-H190 PolarHBondContact O-N 3.03Å; T167-H190 CarbonylContact C-O 3.5Å; T167-H190 WeakPolarHBondContact CA-O 3.25Å; V168-H190 PolarHBondContact N-O 3.3Å; H190-N212 WeakPolarHBondContact CB-ND2 3.06Å; H190-N212 PolarHBondContact CD2-OD1 3.44Å; H190-D214 IonicContact CD2-OD2 2.71Å; H190-D214 IonicContact CE1-OD2 3.44Å; H190-D214 IonicContact NE2-OD2 2.78Å; H190-D214 PolarHBondContact NE2-OD2 3.36Å
191V98.9Very high97.1Very high0 Ų039.9 Ų39.90%023%0.233CC..EExtended strand (participates in β ladder)trans-121.5133.3-178.9-175.80000110.1V168 I170 A181 A184 V185 C189 I193 N212 V213 D214V168-V191 CarbonylContact O-C 3.54Å; V168-V191 WeakPolarHBondContact O-CA 3.18Å; I170-V191 HydrophobicContact CD1-CG1 3.75Å; I170-V191 HydrophobicContact CG1-CG1 4.38Å; A181-V191 HydrophobicContact CB-CG1 4.15Å; A184-V191 HydrophobicContact CB-CG2 3.53Å; V185-V191 HydrophobicContact CG2-CG2 3.88Å; C189-V191 HydrophobicContact CB-CG2 4.48Å; V191-I193 HydrophobicContact CG1-CG1 4.04Å; V191-N212 PolarHBondContact N-O 3.24Å; V191-V213 HydrophobicContact CB-CG1 4.19Å; V191-V213 HydrophobicContact CB-CG2 4.09Å; V191-V213 HydrophobicContact CG1-CG1 4.32Å; V191-V213 CarbonylContact O-C 3.52Å; V191-V213 WeakPolarHBondContact O-CA 3.24Å; V191-D214 PolarHBondContact O-N 3.1Å
192I98.9Very high97Very high1 Ų146.3 Ų46.31%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-119121.4174.3-53176.5000108.1T167 V168 V169 I170 L194 D214 L216 K226T167-I192 HydrophobicContact CG2-CD1 3.94Å; T167-I192 HydrophobicContact CG2-CG1 4.28Å; V168-I192 PolarHBondContact O-N 3.17Å; V169-I192 CarbonylContact C-O 3.44Å; V169-I192 WeakPolarHBondContact CA-O 3.15Å; V169-I192 HydrophobicContact CG1-CB 4.47Å; V169-I192 HydrophobicContact CG2-CB 4.18Å; V169-I192 HydrophobicContact CG2-CD1 4.17Å; V169-I192 HydrophobicContact CG2-CG1 4.48Å; I170-I192 PolarHBondContact N-O 3.32Å; I192-L194 HydrophobicContact CG2-CD2 4.39Å; I192-D214 CarbonylContact C-O 3.6Å; I192-D214 VanDerWaalsContact CA-O 3.32Å; I192-D214 WeakPolarHBondContact CA-O 3.38Å; I192-D214 HydrophobicContact CG1-CB 4.39Å; I192-D214 HydrophobicContact CG2-CB 4.46Å; I192-L216 HydrophobicContact CG2-CD1 4.02Å; I192-K226 HydrophobicContact CD1-CB 4.4Å; I192-K226 HydrophobicContact CD1-CD 3.72Å; I192-K226 HydrophobicContact CD1-CG 4.45Å; I192-K226 HydrophobicContact CG2-CB 4.3Å; I192-K226 HydrophobicContact CG2-CD 4.23Å; I192-K226 HydrophobicContact CG2-CG 4.1Å
193I98.8Very high97Very high0 Ų049.2 Ų49.20%027%0.273CS..EExtended strand (participates in β ladder)trans-110.1123.4178.8-52.8176.7000109.5I170 A181 V191 L204 Y208 V213 D214 V215 L216I170-I193 HydrophobicContact CD1-CG1 4.49Å; I170-I193 WeakPolarHBondContact O-CA 3.15Å; A181-I193 HydrophobicContact CB-CD1 3.79Å; V191-I193 HydrophobicContact CG1-CG1 4.04Å; I193-L204 HydrophobicContact CG2-CD1 4.11Å; I193-Y208 HydrophobicContact CD1-CD2 4.19Å; I193-Y208 HydrophobicContact CD1-CE2 3.91Å; I193-V213 HydrophobicContact CD1-CG1 3.97Å; I193-V213 HydrophobicContact CG1-CG1 4.18Å; I193-D214 PolarHBondContact N-O 2.97Å; I193-V215 HydrophobicContact CB-CG1 4.47Å; I193-V215 WeakPolarHBondContact O-CA 3.42Å; I193-L216 PolarHBondContact O-N 3.49Å
194L98.6Very high97Very high0 Ų046.9 Ų46.90%026%0.262CS..EExtended strand (participates in β ladder)trans-102.9109.5176.1-58.7178.3000109.9V169 I170 L171 G172 I192 L216 N222 L223V169-L194 HydrophobicContact CG1-CD1 4.36Å; I170-L194 PolarHBondContact O-N 3Å; L171-L194 HydrophobicContact CD1-CB 3.96Å; L171-L194 HydrophobicContact CD1-CD1 4.31Å; G172-L194 WeakPolarHBondContact CA-O 3.37Å; G172-L194 PolarHBondContact N-O 2.99Å; I192-L194 HydrophobicContact CG2-CD2 4.39Å; L194-L216 HydrophobicContact CD2-CB 3.9Å; L194-L216 HydrophobicContact CD2-CD1 4.33Å; L194-N222 HydrophobicContact CD2-CB 4.21Å; L194-L223 HydrophobicContact CD1-CB 4.13Å; L194-L223 HydrophobicContact CD1-CD1 3.62Å; L194-L223 HydrophobicContact CD1-CG 4.49Å
195E97.3Very high97Very high22 Ų2252.3 Ų52.310%0.10329%0.286CS..EExtended strand (participates in β ladder)trans-127.8145.4-178.7173.852.7-118.900111.2G173 N197 R200 I201 L204 L216 V217 S218G173-E195 WeakPolarHBondContact CA-OE2 3.43Å; G173-E195 PolarHBondContact N-OE2 3.12Å; E195-N197 WeakPolarHBondContact OE1-CB 3.4Å; E195-N197 PolarHBondContact OE1-N 3.1Å; E195-R200 HydrophobicContact CG-CB 3.95Å; E195-R200 HydrophobicContact CG-CG 3.84Å; E195-I201 HydrophobicContact CB-CG1 3.88Å; E195-I201 HydrophobicContact CG-CG1 3.95Å; E195-I201 WeakPolarHBondContact O-CD1 3.1Å; E195-L204 HydrophobicContact CB-CD1 4.39Å; E195-L204 HydrophobicContact CG-CD1 4.48Å; E195-L216 PolarHBondContact N-O 2.99Å; E195-L216 VanDerWaalsContact N-O 3.08Å; E195-V217 CarbonylContact O-C 3.51Å; E195-V217 WeakPolarHBondContact O-CA 3.47Å; E195-S218 PolarHBondContact O-N 2.82Å
196V93.4Very high97Very high104 Ų10456.1 Ų56.163%0.6331%0.305SS*.SBendtrans-90.7-30.3-178.5-660000112.6E198V196-E198 PolarHBondContact O-N 2.94Å
197N91.8Very high97Very high81 Ų8158.5 Ų58.543%0.43329%0.293SS..  trans-83.7115.6-174.2-176.9-68.4000111.7E195 N199 R200 I201E195-N197 WeakPolarHBondContact OE1-CB 3.4Å; E195-N197 PolarHBondContact OE1-N 3.1Å; N197-N199 VanDerWaalsContact C-N 3.34Å; N197-N199 PolarHBondContact O-N 2.93Å; N197-N199 WeakPolarHBondContact OD1-CB 3.46Å; N197-N199 PolarHBondContact OD1-N 3.34Å; N197-N199 VanDerWaalsContact OD1-N 3.07Å; N197-R200 HydrophobicContact CB-CB 3.79Å; N197-R200 CarbonylContact O-C 3.5Å; N197-R200 WeakPolarHBondContact O-CA 3.09Å; N197-R200 WeakPolarHBondContact O-CB 3.36Å; N197-R200 PolarHBondContact O-N 2.65Å; N197-R200 PolarHBondContact OD1-N 2.82Å; N197-I201 WeakPolarHBondContact O-CG1 3.4Å; N197-I201 PolarHBondContact O-N 3.16Å
198E94.3Very high97.1Very high141 Ų14156.7 Ų56.766%0.65928%0.284SS*.Hα-helixtrans-59.1-38.8-176.7-65.6-173.4176.700114.4V196 R200 I201 K202V196-E198 PolarHBondContact O-N 2.94Å; E198-R200 VanDerWaalsContact C-N 3.3Å; E198-I201 PolarHBondContact O-N 3.2Å; E198-K202 WeakPolarHBondContact O-CG 3.37Å; E198-K202 PolarHBondContact O-N 2.87Å; E198-K202 VanDerWaalsContact O-N 3.1Å
199N94.3Very high97.1Very high104 Ų10461 Ų6156%0.55629%0.288SS*.Hα-helixtrans-66.8-38.9177.1-71.2-27.2000110.5N197 K202 Q203N197-N199 VanDerWaalsContact C-N 3.34Å; N197-N199 PolarHBondContact O-N 2.93Å; N197-N199 WeakPolarHBondContact OD1-CB 3.46Å; N197-N199 PolarHBondContact OD1-N 3.34Å; N197-N199 VanDerWaalsContact OD1-N 3.07Å; N199-K202 PolarHBondContact O-N 3.23Å; N199-Q203 WeakPolarHBondContact O-CG 3.32Å; N199-Q203 PolarHBondContact O-N 3.48Å; N199-Q203 VanDerWaalsContact O-N 3.11Å
200R94Very high97Very high49 Ų4967.2 Ų67.219%0.18532%0.322CS..Hα-helixtrans-67.6-40.4176.8-17253.9176.8171.9-1.6112.3G173 E178 E195 N197 E198 K202 Q203 L204G173-R200 VanDerWaalsContact O-CZ 3.23Å; G173-R200 PolarHBondContact O-NE 3.47Å; G173-R200 PolarHBondContact O-NH2 3.13Å; E178-R200 VanDerWaalsContact CG-NH2 3.34Å; E178-R200 IonicContact OE1-CZ 3.85Å; E178-R200 IonicContact OE1-NH1 2.76Å; E178-R200 IonicContact OE1-NH2 3.15Å; E178-R200 PolarHBondContact OE1-NH2 3.32Å; E195-R200 HydrophobicContact CG-CB 3.95Å; E195-R200 HydrophobicContact CG-CG 3.84Å; N197-R200 HydrophobicContact CB-CB 3.79Å; N197-R200 CarbonylContact O-C 3.5Å; N197-R200 WeakPolarHBondContact O-CA 3.09Å; N197-R200 WeakPolarHBondContact O-CB 3.36Å; N197-R200 PolarHBondContact O-N 2.65Å; N197-R200 PolarHBondContact OD1-N 2.82Å; E198-R200 VanDerWaalsContact C-N 3.3Å; R200-K202 VanDerWaalsContact C-N 3.3Å; R200-K202 PolarHBondContact O-N 3.3Å; R200-Q203 VanDerWaalsContact CD-OE1 3.32Å; R200-Q203 VanDerWaalsContact NH1-OE1 3.1Å; R200-Q203 WeakPolarHBondContact O-CB 3.39Å; R200-Q203 PolarHBondContact O-N 3.08Å; R200-L204 HydrophobicContact CG-CD1 4.12Å; R200-L204 WeakPolarHBondContact O-CG 3.47Å; R200-L204 PolarHBondContact O-N 3.21Å
201I98.2Very high97Very high13 Ų1370.3 Ų70.37%0.06734%0.336CS..Hα-helixtrans-56.1-45.9172.3-68.3169.3000110.5E195 N197 E198 Q203 L204 K205 V215 V217E195-I201 HydrophobicContact CB-CG1 3.88Å; E195-I201 HydrophobicContact CG-CG1 3.95Å; E195-I201 WeakPolarHBondContact O-CD1 3.1Å; N197-I201 WeakPolarHBondContact O-CG1 3.4Å; N197-I201 PolarHBondContact O-N 3.16Å; E198-I201 PolarHBondContact O-N 3.2Å; I201-Q203 PolarHBondContact O-N 2.83Å; I201-L204 PolarHBondContact O-N 3.28Å; I201-K205 HydrophobicContact CG2-CD 4.19Å; I201-K205 HydrophobicContact CG2-CG 4.44Å; I201-K205 WeakPolarHBondContact O-CG 3.45Å; I201-K205 PolarHBondContact O-N 2.8Å; I201-V215 HydrophobicContact CB-CG1 4.37Å; I201-V215 HydrophobicContact CG1-CG1 4.42Å; I201-V215 HydrophobicContact CG2-CG1 3.95Å; I201-V217 HydrophobicContact CD1-CB 4.29Å; I201-V217 HydrophobicContact CD1-CG2 3.68Å
202K97.9Very high96.8Very high134 Ų13475.1 Ų75.158%0.58336%0.361SS*.Hα-helixtrans-60.3-44177.5-70.3170.3-173.2168.30112.1E198 N199 R200 K205 D206E198-K202 WeakPolarHBondContact O-CG 3.37Å; E198-K202 PolarHBondContact O-N 2.87Å; E198-K202 VanDerWaalsContact O-N 3.1Å; N199-K202 PolarHBondContact O-N 3.23Å; R200-K202 VanDerWaalsContact C-N 3.3Å; R200-K202 PolarHBondContact O-N 3.3Å; K202-K205 PolarHBondContact O-N 3.13Å; K202-D206 PolarHBondContact O-N 3.25Å
203Q98Very high96.8Very high110 Ų11076 Ų7651%0.51437%0.367SS..Hα-helixtrans-61.4-44.4176.9-69.9173.2-5.600112.1N199 R200 I201 D206 R207N199-Q203 WeakPolarHBondContact O-CG 3.32Å; N199-Q203 PolarHBondContact O-N 3.48Å; N199-Q203 VanDerWaalsContact O-N 3.11Å; R200-Q203 VanDerWaalsContact CD-OE1 3.32Å; R200-Q203 VanDerWaalsContact NH1-OE1 3.1Å; R200-Q203 WeakPolarHBondContact O-CB 3.39Å; R200-Q203 PolarHBondContact O-N 3.08Å; I201-Q203 PolarHBondContact O-N 2.83Å; Q203-D206 PolarHBondContact O-N 3.28Å; Q203-R207 WeakPolarHBondContact O-CB 3.45Å; Q203-R207 PolarHBondContact O-N 3.36Å
204L98.5Very high96.8Very high1 Ų179.8 Ų79.81%0.00539%0.387CS..Hα-helixtrans-67.4-40.6179.5-68.7167.6000111.6E178 I193 E195 R200 I201 D206 R207 Y208 V215E178-L204 HydrophobicContact CG-CD2 3.88Å; I193-L204 HydrophobicContact CG2-CD1 4.11Å; E195-L204 HydrophobicContact CB-CD1 4.39Å; E195-L204 HydrophobicContact CG-CD1 4.48Å; R200-L204 HydrophobicContact CG-CD1 4.12Å; R200-L204 WeakPolarHBondContact O-CG 3.47Å; R200-L204 PolarHBondContact O-N 3.21Å; I201-L204 PolarHBondContact O-N 3.28Å; L204-D206 PolarHBondContact O-N 2.94Å; L204-R207 PolarHBondContact O-N 3.17Å; L204-Y208 HydrophobicContact CD2-CE2 4.08Å; L204-Y208 VanDerWaalsContact O-CD2 3.29Å; L204-Y208 WeakPolarHBondContact O-CD2 3.37Å; L204-Y208 PolarHBondContact O-N 3.43Å; L204-V215 HydrophobicContact CB-CG1 3.93Å; L204-V215 HydrophobicContact CB-CG2 3.97Å; L204-V215 HydrophobicContact CD1-CG1 4.28Å
205K98.5Very high96.8Very high115 Ų11580 Ų8050%0.539%0.389SS..Hα-helixtrans-60.5-42.8174.4-75.7-173.6176.5-173.10112.3I201 K202 K209 V215I201-K205 HydrophobicContact CG2-CD 4.19Å; I201-K205 HydrophobicContact CG2-CG 4.44Å; I201-K205 WeakPolarHBondContact O-CG 3.45Å; I201-K205 PolarHBondContact O-N 2.8Å; K202-K205 PolarHBondContact O-N 3.13Å; K205-K209 WeakPolarHBondContact O-CA 3.36Å; K205-K209 WeakPolarHBondContact O-CB 3.41Å; K205-K209 PolarHBondContact O-N 3.47Å; K205-V215 WeakPolarHBondContact CE-O 3.17Å; K205-V215 HydrophobicContact CG-CB 3.72Å; K205-V215 HydrophobicContact CG-CG1 4.36Å; K205-V215 HydrophobicContact CG-CG2 4.04Å; K205-V215 PolarHBondContact NZ-O 3Å
206D98.3Very high96.9Very high106 Ų10681.2 Ų81.257%0.56740%0.396SS*.Hα-helixtrans-67.3-42.3177-175.760000111.9K202 Q203 L204 Y208K202-D206 PolarHBondContact O-N 3.25Å; Q203-D206 PolarHBondContact O-N 3.28Å; L204-D206 PolarHBondContact O-N 2.94Å; D206-Y208 VanDerWaalsContact C-N 3.33Å; D206-Y208 PolarHBondContact O-N 3.2Å
207R97.8Very high97.1Very high117 Ų11779.8 Ų79.844%0.44239%0.387SS..Hα-helixtrans-57.8-43.1176.9-178.4-177.8179.890.65.1112.5E178 D182 Q203 L204E178-R207 IonicContact OE2-CZ 3.52Å; E178-R207 IonicContact OE2-NE 3.5Å; E178-R207 IonicContact OE2-NH1 3.92Å; E178-R207 PolarHBondContact OE2-NH1 3.28Å; D182-R207 IonicContact OD1-CZ 2.76Å; D182-R207 IonicContact OD1-NE 3.71Å; D182-R207 PolarHBondContact OD1-NE 3.2Å; D182-R207 IonicContact OD1-NH2 3.87Å; D182-R207 PolarHBondContact OD1-NH2 3.07Å; D182-R207 VanDerWaalsContact OD1-NH2 3.15Å; D182-R207 IonicContact OD2-CZ 3.9Å; D182-R207 IonicContact OD2-NH2 2.71Å; D182-R207 PolarHBondContact OD2-NH2 2.78Å; Q203-R207 WeakPolarHBondContact O-CB 3.45Å; Q203-R207 PolarHBondContact O-N 3.36Å; L204-R207 PolarHBondContact O-N 3.17Å
208Y98.4Very high97.3Very high8 Ų877 Ų773%0.03137%0.374CS..THydrogen-bonded Turntrans-105.914.3-173-60.9-66.7000114.7E178 A181 D182 V185 I193 L204 D206 D210 H211 V213E178-Y208 PolarHBondContact O-OH 2.89Å; A181-Y208 HydrophobicContact CB-CE1 4.36Å; A181-Y208 HydrophobicContact CB-CE2 4.1Å; A181-Y208 WeakPolarHBondContact CB-OH 3.42Å; D182-Y208 WeakPolarHBondContact OD1-CE1 3.39Å; D182-Y208 PolarHBondContact OD1-OH 2.85Å; V185-Y208 HydrophobicContact CG2-CD1 4.4Å; V185-Y208 HydrophobicContact CG2-CE1 4.49Å; I193-Y208 HydrophobicContact CD1-CD2 4.19Å; I193-Y208 HydrophobicContact CD1-CE2 3.91Å; L204-Y208 HydrophobicContact CD2-CE2 4.08Å; L204-Y208 VanDerWaalsContact O-CD2 3.29Å; L204-Y208 WeakPolarHBondContact O-CD2 3.37Å; L204-Y208 PolarHBondContact O-N 3.43Å; D206-Y208 VanDerWaalsContact C-N 3.33Å; D206-Y208 PolarHBondContact O-N 3.2Å; Y208-D210 PolarHBondContact O-N 3.05Å; Y208-H211 PolarHBondContact O-N 3.24Å; Y208-V213 HydrophobicContact CD1-CG2 4.06Å; Y208-V213 HydrophobicContact CD2-CG1 4.11Å; Y208-V213 HydrophobicContact CG-CB 4.16Å; Y208-V213 HydrophobicContact CG-CG1 4.11Å; Y208-V213 HydrophobicContact CG-CG2 3.94Å
209K96.4Very high97.4Very high138 Ų13873.5 Ų73.560%0.636%0.359SS*.THydrogen-bonded Turntrans-53.4-28.8-174.170.9-171.4177.4-169.50115.9K205K205-K209 WeakPolarHBondContact O-CA 3.36Å; K205-K209 WeakPolarHBondContact O-CB 3.41Å; K205-K209 PolarHBondContact O-N 3.47Å
210D96.6Very high97.4Very high134 Ų13472.7 Ų72.772%0.71736%0.358SS*.THydrogen-bonded Turntrans-103.813.6-178-58.2-53.4000112.6Y208Y208-D210 PolarHBondContact O-N 3.05Å
211H97.3Very high97.6Very high99 Ų9977 Ų7746%0.45838%0.38SS..SBendtrans-122.5162.2-177.8-5890.5000110.7V185 Y208 V213V185-H211 HydrophobicContact CG1-CB 3.97Å; V185-H211 WeakPolarHBondContact CG1-CD2 3.3Å; V185-H211 HydrophobicContact CG2-CB 4.43Å; Y208-H211 PolarHBondContact O-N 3.24Å; H211-V213 HydrophobicContact CB-CG2 3.89Å; H211-V213 PolarHBondContact O-N 3.33Å
212N96.5Very high97.6Very high100 Ų10077.9 Ų77.954%0.53539%0.386SS..SBendtrans-7767.3177.2-167.718.4000111.3H190 V191H190-N212 WeakPolarHBondContact CB-ND2 3.06Å; H190-N212 PolarHBondContact CD2-OD1 3.44Å; V191-N212 PolarHBondContact N-O 3.24Å
213V98.7Very high97.6Very high21 Ų2171.9 Ų71.913%0.12736%0.36CS..EExtended strand (participates in β ladder)trans-130.8119.3-175.2-173.40000111.6V185 V191 I193 Y208 H211 V215V185-V213 HydrophobicContact CG2-CG2 3.39Å; V191-V213 HydrophobicContact CB-CG1 4.19Å; V191-V213 HydrophobicContact CB-CG2 4.09Å; V191-V213 HydrophobicContact CG1-CG1 4.32Å; V191-V213 CarbonylContact O-C 3.52Å; V191-V213 WeakPolarHBondContact O-CA 3.24Å; I193-V213 HydrophobicContact CD1-CG1 3.97Å; I193-V213 HydrophobicContact CG1-CG1 4.18Å; Y208-V213 HydrophobicContact CD1-CG2 4.06Å; Y208-V213 HydrophobicContact CD2-CG1 4.11Å; Y208-V213 HydrophobicContact CG-CB 4.16Å; Y208-V213 HydrophobicContact CG-CG1 4.11Å; Y208-V213 HydrophobicContact CG-CG2 3.94Å; H211-V213 HydrophobicContact CB-CG2 3.89Å; H211-V213 PolarHBondContact O-N 3.33Å; V213-V215 HydrophobicContact CG1-CG2 4.16Å
214D98.5Very high97.7Very high78 Ų7869.6 Ų69.642%0.41735%0.349SS..EExtended strand (participates in β ladder)trans-96.4117.2172-69.6-54.4000110.7H190 V191 I192 I193H190-D214 IonicContact CD2-OD2 2.71Å; H190-D214 IonicContact CE1-OD2 3.44Å; H190-D214 IonicContact NE2-OD2 2.78Å; H190-D214 PolarHBondContact NE2-OD2 3.36Å; V191-D214 PolarHBondContact O-N 3.1Å; I192-D214 CarbonylContact C-O 3.6Å; I192-D214 VanDerWaalsContact CA-O 3.32Å; I192-D214 WeakPolarHBondContact CA-O 3.38Å; I192-D214 HydrophobicContact CG1-CB 4.39Å; I192-D214 HydrophobicContact CG2-CB 4.46Å; I193-D214 PolarHBondContact N-O 2.97Å
215V98.6Very high97.7Very high5 Ų573.9 Ų73.93%0.0337%0.369CS..EExtended strand (participates in β ladder)trans-103.9111.9174.6-170.40000109.4I193 I201 L204 K205 V213I193-V215 HydrophobicContact CB-CG1 4.47Å; I193-V215 WeakPolarHBondContact O-CA 3.42Å; I201-V215 HydrophobicContact CB-CG1 4.37Å; I201-V215 HydrophobicContact CG1-CG1 4.42Å; I201-V215 HydrophobicContact CG2-CG1 3.95Å; L204-V215 HydrophobicContact CB-CG1 3.93Å; L204-V215 HydrophobicContact CB-CG2 3.97Å; L204-V215 HydrophobicContact CD1-CG1 4.28Å; K205-V215 WeakPolarHBondContact CE-O 3.17Å; K205-V215 HydrophobicContact CG-CB 3.72Å; K205-V215 HydrophobicContact CG-CG1 4.36Å; K205-V215 HydrophobicContact CG-CG2 4.04Å; K205-V215 PolarHBondContact NZ-O 3Å; V213-V215 HydrophobicContact CG1-CG2 4.16Å
216L98.3Very high97.7Very high48 Ų4869.8 Ų69.825%0.25135%0.351SS..EExtended strand (participates in β ladder)trans-116.2156.3-175.2-51.9175000111I192 I193 L194 E195 S218 K226I192-L216 HydrophobicContact CG2-CD1 4.02Å; I193-L216 PolarHBondContact O-N 3.49Å; L194-L216 HydrophobicContact CD2-CB 3.9Å; L194-L216 HydrophobicContact CD2-CD1 4.33Å; E195-L216 PolarHBondContact N-O 2.99Å; E195-L216 VanDerWaalsContact N-O 3.08Å; L216-S218 PolarHBondContact O-N 3.16Å; L216-K226 HydrophobicContact CD1-CD 4.04Å; L216-K226 HydrophobicContact CD1-CG 3.95Å
217V97.9Very high97.7Very high73 Ų7364.7 Ų64.744%0.44232%0.324SS..EExtended strand (participates in β ladder)trans-66.7129.9170.8178.40000108.4E195 I201 N219 N222E195-V217 CarbonylContact O-C 3.51Å; E195-V217 WeakPolarHBondContact O-CA 3.47Å; I201-V217 HydrophobicContact CD1-CB 4.29Å; I201-V217 HydrophobicContact CD1-CG2 3.68Å; V217-N219 PolarHBondContact O-N 2.71Å; V217-N222 PolarHBondContact O-ND2 2.9Å
218S96.2Very high97.7Very high23 Ų2364 Ų6416%0.16132%0.324CS..  trans-76.3109.4173.1-174.70000110L171 E195 L216L171-S218 WeakPolarHBondContact CD1-OG 3.17Å; E195-S218 PolarHBondContact O-N 2.82Å; L216-S218 PolarHBondContact O-N 3.16Å
219N95.8Very high97.7Very high67 Ų6766.9 Ų66.936%0.35834%0.338SS..  trans-141.3171.2169.16332.1000108.3V217 E221 N222 L223V217-N219 PolarHBondContact O-N 2.71Å; N219-E221 VanDerWaalsContact C-N 3.32Å; N219-E221 PolarHBondContact O-N 3.19Å; N219-E221 PolarHBondContact OD1-N 3.42Å; N219-N222 WeakPolarHBondContact OD1-CB 3.47Å; N219-N222 PolarHBondContact OD1-N 3.02Å; N219-L223 WeakPolarHBondContact O-CB 3.16Å; N219-L223 PolarHBondContact O-N 3.19Å
220T95.7Very high97.8Very high87 Ų8760.3 Ų60.353%0.53431%0.309SS..Hα-helixtrans-57.4-44.3-177-57.90000112.3L223 E224 M252T220-L223 PolarHBondContact O-N 2.84Å; T220-E224 HydrophobicContact CG2-CG 4.3Å; T220-E224 WeakPolarHBondContact CG2-OE1 3.38Å; T220-E224 WeakPolarHBondContact O-CB 3.28Å; T220-E224 VanDerWaalsContact O-CG 3.26Å; T220-E224 WeakPolarHBondContact O-CG 3.43Å; T220-E224 PolarHBondContact O-N 3.24Å; T220-M252 HydrophobicContact CG2-CE 4.19Å
221E97.9Very high97.9Very high139 Ų13954.3 Ų54.365%0.6528%0.277SS*.Hα-helixtrans-61.7-52.6-178.5-176.8176.5-165.200112.3N219 L223 E224 E225N219-E221 VanDerWaalsContact C-N 3.32Å; N219-E221 PolarHBondContact O-N 3.19Å; N219-E221 PolarHBondContact OD1-N 3.42Å; E221-L223 VanDerWaalsContact C-N 3.3Å; E221-L223 PolarHBondContact O-N 3.17Å; E221-E224 PolarHBondContact O-N 3.46Å; E221-E225 WeakPolarHBondContact O-CB 3.17Å; E221-E225 PolarHBondContact O-N 3.25Å
222N98.4Very high97.9Very high33 Ų3349.6 Ų49.618%0.17626%0.255CS..Hα-helixtrans-63.8-36.5178.6-74.1-21.7000111.9L194 V217 N219 K226L194-N222 HydrophobicContact CD2-CB 4.21Å; V217-N222 PolarHBondContact O-ND2 2.9Å; N219-N222 WeakPolarHBondContact OD1-CB 3.47Å; N219-N222 PolarHBondContact OD1-N 3.02Å; N222-K226 VanDerWaalsContact O-CB 3.31Å; N222-K226 WeakPolarHBondContact O-CB 2.8Å; N222-K226 WeakPolarHBondContact O-CG 3.43Å; N222-K226 PolarHBondContact O-N 3.27Å
223L98.4Very high98.1Very high8 Ų844.8 Ų44.84%0.04223%0.23CC..Hα-helixtrans-66.3-46.5176.3-18058.5000111.2L171 L194 N219 T220 E221 E225 I227 F233 V248 M252L171-L223 HydrophobicContact CD1-CD1 4.39Å; L171-L223 HydrophobicContact CD2-CD2 4.4Å; L194-L223 HydrophobicContact CD1-CB 4.13Å; L194-L223 HydrophobicContact CD1-CD1 3.62Å; L194-L223 HydrophobicContact CD1-CG 4.49Å; N219-L223 WeakPolarHBondContact O-CB 3.16Å; N219-L223 PolarHBondContact O-N 3.19Å; T220-L223 PolarHBondContact O-N 2.84Å; E221-L223 VanDerWaalsContact C-N 3.3Å; E221-L223 PolarHBondContact O-N 3.17Å; L223-E225 VanDerWaalsContact C-N 3.32Å; L223-E225 PolarHBondContact O-N 3.33Å; L223-I227 WeakPolarHBondContact O-CB 3.23Å; L223-I227 WeakPolarHBondContact O-CG2 3.49Å; L223-I227 PolarHBondContact O-N 2.96Å; L223-F233 HydrophobicContact CD1-CE2 3.82Å; L223-F233 HydrophobicContact CD1-CZ 4.07Å; L223-V248 HydrophobicContact CD2-CG2 4.34Å; L223-M252 HydrophobicContact CD2-CE 4.3Å; L223-M252 HydrophobicContact CD2-SD 3.9Å; L223-M252 HydrophobicContact CG-SD 3.99Å
224E98.5Very high98.1Very high62 Ų6243.8 Ų43.829%0.2922%0.224SC..Hα-helixtrans-63.1-35.4176.9-74.5176.8-170.400113.4T220 E221 K228 Y251 M252T220-E224 HydrophobicContact CG2-CG 4.3Å; T220-E224 WeakPolarHBondContact CG2-OE1 3.38Å; T220-E224 WeakPolarHBondContact O-CB 3.28Å; T220-E224 VanDerWaalsContact O-CG 3.26Å; T220-E224 WeakPolarHBondContact O-CG 3.43Å; T220-E224 PolarHBondContact O-N 3.24Å; E221-E224 PolarHBondContact O-N 3.46Å; E224-K228 WeakPolarHBondContact O-CD 3.42Å; E224-K228 WeakPolarHBondContact O-CE 3.44Å; E224-K228 WeakPolarHBondContact O-CG 3.38Å; E224-K228 PolarHBondContact O-NZ 3.28Å; E224-Y251 HydrophobicContact CG-CE2 4.01Å; E224-Y251 PolarHBondContact OE1-OH 3.48Å; E224-M252 HydrophobicContact CG-CE 3.71Å; E224-M252 HydrophobicContact CG-CG 4.21Å; E224-M252 HydrophobicContact CG-SD 4.47Å
225E98.5Very high98Very high90 Ų9040.1 Ų40.142%0.42120%0.204SC..Hα-helixtrans-71.4-56.3177.3-172.2-172.4151.500110.4E221 L223 I227 K228E221-E225 WeakPolarHBondContact O-CB 3.17Å; E221-E225 PolarHBondContact O-N 3.25Å; L223-E225 VanDerWaalsContact C-N 3.32Å; L223-E225 PolarHBondContact O-N 3.33Å; E225-I227 PolarHBondContact O-N 3.42Å; E225-K228 PolarHBondContact O-N 3.45Å
226K98.6Very high97.9Very high29 Ų2940.7 Ų40.713%0.12621%0.208CC..Hα-helixtrans-76.1-28.3-168.8-58.8-66.5146-1520113.1V169 I192 L216 N222 K228 E229 A230V169-K226 HydrophobicContact CG1-CB 4.33Å; I192-K226 HydrophobicContact CD1-CB 4.4Å; I192-K226 HydrophobicContact CD1-CD 3.72Å; I192-K226 HydrophobicContact CD1-CG 4.45Å; I192-K226 HydrophobicContact CG2-CB 4.3Å; I192-K226 HydrophobicContact CG2-CD 4.23Å; I192-K226 HydrophobicContact CG2-CG 4.1Å; L216-K226 HydrophobicContact CD1-CD 4.04Å; L216-K226 HydrophobicContact CD1-CG 3.95Å; N222-K226 VanDerWaalsContact O-CB 3.31Å; N222-K226 WeakPolarHBondContact O-CB 2.8Å; N222-K226 WeakPolarHBondContact O-CG 3.43Å; N222-K226 PolarHBondContact O-N 3.27Å; K226-K228 PolarHBondContact O-N 3.06Å; K226-E229 IonicContact NZ-OE1 3.65Å; K226-E229 PolarHBondContact NZ-OE1 3.47Å; K226-E229 IonicContact NZ-OE2 2.85Å; K226-E229 WeakPolarHBondContact O-CB 3.42Å; K226-E229 PolarHBondContact O-N 3.26Å; K226-A230 PolarHBondContact O-N 3.45Å
227I98.4Very high97.4Very high0 Ų039.8 Ų39.80%020%0.204CC..THydrogen-bonded Turntrans-62.4-27178-161167.8000112.7L223 E225 E229 A230 F233 V248 M252 M256L223-I227 WeakPolarHBondContact O-CB 3.23Å; L223-I227 WeakPolarHBondContact O-CG2 3.49Å; L223-I227 PolarHBondContact O-N 2.96Å; E225-I227 PolarHBondContact O-N 3.42Å; I227-E229 VanDerWaalsContact C-N 3.29Å; I227-E229 PolarHBondContact O-N 3.03Å; I227-A230 WeakPolarHBondContact O-CB 3.43Å; I227-A230 PolarHBondContact O-N 2.9Å; I227-F233 HydrophobicContact CD1-CD2 4.03Å; I227-F233 HydrophobicContact CD1-CE2 4.02Å; I227-F233 HydrophobicContact CD1-CG 4.28Å; I227-F233 HydrophobicContact CD1-CZ 4.26Å; I227-F233 HydrophobicContact CG1-CD2 3.78Å; I227-F233 HydrophobicContact CG1-CE2 4.13Å; I227-F233 HydrophobicContact CG1-CG 4.2Å; I227-V248 HydrophobicContact CD1-CG1 3.59Å; I227-M252 HydrophobicContact CD1-CB 4.24Å; I227-M252 HydrophobicContact CG2-CB 4.22Å; I227-M256 HydrophobicContact CD1-CG 4.45Å; I227-M256 HydrophobicContact CD1-SD 4.1Å; I227-M256 HydrophobicContact CG1-CE 4.1Å; I227-M256 HydrophobicContact CG1-CG 3.88Å; I227-M256 HydrophobicContact CG1-SD 3.84Å
228K98.3Very high96.3Very high101 Ų10140.4 Ų40.444%0.43920%0.204SC..THydrogen-bonded Turntrans-68.7-28.5176-63.4169.1-176.9156.60112.8E224 E225 K226 S255E224-K228 WeakPolarHBondContact O-CD 3.42Å; E224-K228 WeakPolarHBondContact O-CE 3.44Å; E224-K228 WeakPolarHBondContact O-CG 3.38Å; E224-K228 PolarHBondContact O-NZ 3.28Å; E225-K228 PolarHBondContact O-N 3.45Å; K226-K228 PolarHBondContact O-N 3.06Å; K228-S255 WeakPolarHBondContact CG-OG 3.26Å
229E97.6Very high95.1Very high69 Ų6942.8 Ų42.832%0.32222%0.215SC..THydrogen-bonded Turntrans-80.8-23-179.6-61.1171.6-152.100111.7K226 I227 D231 K257K226-E229 IonicContact NZ-OE1 3.65Å; K226-E229 PolarHBondContact NZ-OE1 3.47Å; K226-E229 IonicContact NZ-OE2 2.85Å; K226-E229 WeakPolarHBondContact O-CB 3.42Å; K226-E229 PolarHBondContact O-N 3.26Å; I227-E229 VanDerWaalsContact C-N 3.29Å; I227-E229 PolarHBondContact O-N 3.03Å; E229-D231 PolarHBondContact O-N 2.86Å; E229-K257 WeakPolarHBondContact O-CE 3.14Å; E229-K257 PolarHBondContact O-NZ 3.03Å
230A98.7Very high93.5Very high0 Ų044 Ų440%023%0.226CC..  trans-63.4123.3-172.700000112.9V169 K226 I227 F233 M256 K257 S260V169-A230 HydrophobicContact CB-CB 3.88Å; V169-A230 HydrophobicContact CG2-CB 3.55Å; K226-A230 PolarHBondContact O-N 3.45Å; I227-A230 WeakPolarHBondContact O-CB 3.43Å; I227-A230 PolarHBondContact O-N 2.9Å; A230-F233 HydrophobicContact CB-CB 4.05Å; A230-M256 HydrophobicContact CB-CE 4.03Å; A230-K257 VanDerWaalsContact O-CE 3.32Å; A230-K257 WeakPolarHBondContact O-CE 3.35Å; A230-S260 WeakPolarHBondContact O-CB 3.27Å
231D98.8Very high91.8Very high8 Ų843.4 Ų43.44%0.04324%0.237CC..SBendtrans-77.6-40158.9-60.5-71000109.8L146 I155 L157 G166 T167 E229 K257 S260 V261L146-D231 HydrophobicContact CD1-CB 4.33Å; L146-D231 WeakPolarHBondContact CD1-O 3.21Å; L146-D231 HydrophobicContact CD2-CB 4.13Å; I155-D231 HydrophobicContact CD1-CB 3.92Å; I155-D231 WeakPolarHBondContact CD1-OD1 3.49Å; L157-D231 HydrophobicContact CD1-CB 4.26Å; G166-D231 VanDerWaalsContact CA-OD2 3.25Å; G166-D231 WeakPolarHBondContact CA-OD2 3.24Å; T167-D231 PolarHBondContact N-OD2 3.45Å; T167-D231 PolarHBondContact O-N 2.85Å; E229-D231 PolarHBondContact O-N 2.86Å; D231-K257 IonicContact OD1-NZ 3.29Å; D231-K257 PolarHBondContact OD1-NZ 3.2Å; D231-K257 IonicContact OD2-NZ 4Å; D231-K257 PolarHBondContact OD2-NZ 2.95Å; D231-S260 WeakPolarHBondContact O-CA 3.35Å; D231-S260 WeakPolarHBondContact O-CB 3.35Å; D231-V261 PolarHBondContact O-N 3.44Å
232V98.8Very high90.1Very high0 Ų038.9 Ų38.90%022%0.224CC..EExtended strand (participates in β ladder)trans-127.7121.4172.3-177.50000109.4L146 L157 T167 V168 V169 I234 V261L146-V232 HydrophobicContact CD2-CG2 4.29Å; L157-V232 HydrophobicContact CD1-CG2 4.19Å; L157-V232 HydrophobicContact CD2-CG2 4.01Å; T167-V232 PolarHBondContact O-N 3.41Å; V168-V232 CarbonylContact C-O 3.57Å; V168-V232 WeakPolarHBondContact CA-O 3.35Å; V168-V232 HydrophobicContact CG2-CB 4.37Å; V169-V232 PolarHBondContact N-O 3.27Å; V232-I234 HydrophobicContact CG1-CD1 4.27Å; V232-I234 HydrophobicContact CG1-CG1 3.91Å; V232-V261 CarbonylContact C-O 3.36Å; V232-V261 VanDerWaalsContact CA-O 3.31Å; V232-V261 WeakPolarHBondContact CA-O 3.26Å
233F98.8Very high88.5Confident0 Ų044.4 Ų44.40%025%0.246CC..EExtended strand (participates in β ladder)trans-105.4126.2172.2177.9-91.4000110.3V169 L171 L223 I227 A230 V248 M256 V261 I262 V263V169-F233 HydrophobicContact CB-CD2 3.98Å; V169-F233 HydrophobicContact CG1-CD2 3.85Å; V169-F233 HydrophobicContact CG1-CE2 4.07Å; V169-F233 CarbonylContact O-C 3.54Å; V169-F233 WeakPolarHBondContact O-CA 3.26Å; L171-F233 HydrophobicContact CB-CE2 4.14Å; L171-F233 HydrophobicContact CB-CZ 3.67Å; L171-F233 HydrophobicContact CD2-CZ 4.07Å; L171-F233 HydrophobicContact CG-CZ 4.49Å; L223-F233 HydrophobicContact CD1-CE2 3.82Å; L223-F233 HydrophobicContact CD1-CZ 4.07Å; I227-F233 HydrophobicContact CD1-CD2 4.03Å; I227-F233 HydrophobicContact CD1-CE2 4.02Å; I227-F233 HydrophobicContact CD1-CG 4.28Å; I227-F233 HydrophobicContact CD1-CZ 4.26Å; I227-F233 HydrophobicContact CG1-CD2 3.78Å; I227-F233 HydrophobicContact CG1-CE2 4.13Å; I227-F233 HydrophobicContact CG1-CG 4.2Å; A230-F233 HydrophobicContact CB-CB 4.05Å; F233-V248 HydrophobicContact CE1-CG2 3.72Å; F233-V248 HydrophobicContact CZ-CG2 3.6Å; F233-M256 HydrophobicContact CB-CE 3.72Å; F233-V261 PolarHBondContact N-O 3.19Å; F233-I262 HydrophobicContact CB-CG1 4.22Å; F233-I262 HydrophobicContact CD1-CG1 4.24Å; F233-I262 HydrophobicContact CD1-CG2 4.32Å; F233-I262 CarbonylContact O-C 3.6Å; F233-I262 WeakPolarHBondContact O-CA 3.38Å; F233-V263 PolarHBondContact O-N 3.21Å
234I98.8Very high87.2Confident0 Ų044.1 Ų44.10%025%0.245CC..EExtended strand (participates in β ladder)trans-118.1116.7-177.9-55.1175.7000109.8A138 V139 V168 V169 I170 L171 A180 V232 T236 V263 I265A138-I234 HydrophobicContact CB-CD1 3.86Å; A138-I234 HydrophobicContact CB-CG1 4.24Å; A138-I234 HydrophobicContact CB-CG2 3.75Å; V139-I234 HydrophobicContact CG2-CD1 3.77Å; V168-I234 HydrophobicContact CG1-CD1 3.82Å; V168-I234 HydrophobicContact CG1-CG1 4.33Å; V169-I234 PolarHBondContact O-N 3.39Å; I170-I234 CarbonylContact C-O 3.54Å; I170-I234 WeakPolarHBondContact CA-O 3.48Å; I170-I234 HydrophobicContact CG1-CB 4.41Å; L171-I234 PolarHBondContact N-O 3.23Å; A180-I234 HydrophobicContact CB-CD1 4.06Å; V232-I234 HydrophobicContact CG1-CD1 4.27Å; V232-I234 HydrophobicContact CG1-CG1 3.91Å; I234-T236 HydrophobicContact CG2-CG2 3.8Å; I234-V263 CarbonylContact C-O 3.51Å; I234-V263 VanDerWaalsContact CA-O 3.31Å; I234-V263 WeakPolarHBondContact CA-O 3.35Å; I234-V263 HydrophobicContact CG1-CB 4.43Å; I234-I265 HydrophobicContact CG2-CD1 4Å; I234-I265 HydrophobicContact CG2-CG1 4.23Å
235S97.9Very high86.4Confident0 Ų044 Ų440%025%0.25CC..EExtended strand (participates in β ladder)trans-91.1122.3170.7159.60000110.3V263 D264 I265 T272S235-V263 PolarHBondContact N-O 2.85Å; S235-D264 VanDerWaalsContact CB-OD1 3.3Å; S235-D264 WeakPolarHBondContact CB-OD1 3.42Å; S235-D264 PolarHBondContact OG-OD1 3.31Å; S235-I265 WeakPolarHBondContact O-CB 3.18Å; S235-I265 PolarHBondContact O-N 2.87Å; S235-T272 WeakPolarHBondContact OG-CB 3.43Å; S235-T272 PolarHBondContact OG-OG1 2.79Å
236T94.9Very high86Confident18 Ų1842.2 Ų42.211%0.1124%0.24CC..  trans-118.46.9179.871.50000113.3I170 L171 A176 A177 I234 L238 I265I170-T236 HydrophobicContact CG2-CG2 3.86Å; L171-T236 PolarHBondContact O-N 3.31Å; L171-T236 PolarHBondContact O-OG1 2.97Å; A176-T236 HydrophobicContact CB-CG2 4.27Å; A177-T236 HydrophobicContact CB-CG2 4.21Å; I234-T236 HydrophobicContact CG2-CG2 3.8Å; T236-L238 PolarHBondContact O-N 3.27Å; T236-I265 HydrophobicContact CG2-CD1 3.85Å
237V87.9Confident85.8Confident29 Ų2944.2 Ų44.218%0.17625%0.252CS..  trans-73.4125.7-174.3179.30000110.4L171 L247 A266 T272L171-V237 HydrophobicContact CD2-CG2 4.22Å; L171-V237 HydrophobicContact CG-CG2 3.79Å; V237-L247 HydrophobicContact CG1-CD1 4.33Å; V237-L247 HydrophobicContact CG2-CD1 4.46Å; V237-A266 WeakPolarHBondContact O-CB 3.15Å; V237-T272 HydrophobicContact CB-CG2 4.48Å
238L76.1Confident85.7Confident85 Ų8544.2 Ų44.245%0.44525%0.252SS..  trans-133.5139.1173.7175.868.9000108.8T236 A266 Q269T236-L238 PolarHBondContact O-N 3.27Å; L238-A266 HydrophobicContact CD1-CB 4.47Å; L238-Q269 HydrophobicContact CD1-CB 4.05Å; L238-Q269 HydrophobicContact CD1-CG 3.73Å
239I70.7Confident85.7Confident73 Ų7342.9 Ų42.937%0.37425%0.247SC..BIsolated β-bridgetrans-109.9113.9166.7-56.5-176.7000107.3G241 A242 P245I239-G241 PolarHBondContact O-N 3.1Å; I239-A242 HydrophobicContact CB-CB 4.36Å; I239-A242 HydrophobicContact CG2-CB 3.93Å; I239-A242 PolarHBondContact O-N 2.81Å; I239-P245 VanDerWaalsContact CD1-CD 3.47Å; I239-P245 HydrophobicContact CD1-CG 4.34Å
240P61.7Low85.7Confident93 Ų9342.8 Ų42.860%0.60425%0.246SC*.THydrogen-bonded Turntrans-54.4130.3177-26.735.1000111.7A242P240-A242 PolarHBondContact O-N 2.62Å
241G59.9Low85.7Confident74 Ų7448.1 Ų48.176%0.76327%0.267SS*.THydrogen-bonded Turntrans734.4177.900000116I239I239-G241 PolarHBondContact O-N 3.1Å
242A61.7Low85.7Confident45 Ų4547.9 Ų47.937%0.37227%0.266SS..BIsolated β-bridgetrans-143.3153.7-179.700000112.8I239 P240I239-A242 HydrophobicContact CB-CB 4.36Å; I239-A242 HydrophobicContact CG2-CB 3.93Å; I239-A242 PolarHBondContact O-N 2.81Å; P240-A242 PolarHBondContact O-N 2.62Å
243K66.6Low85.7Confident148 Ų14847.9 Ų47.964%0.64327%0.266SS*.PPolyproline II helixtrans-64.5127.5172.2-176.1171.4-175.8175.60109.5
244P70.6Confident85.7Confident3 Ų353.1 Ų53.12%0.01929%0.29CS..PPolyproline II helixtrans-64.2144.9176.826.6-31.9000110.6Q269P244-Q269 VanDerWaalsContact CD-O 3.26Å; P244-Q269 WeakPolarHBondContact CD-O 3.42Å
245P82.2Confident85.6Confident60 Ų6055.1 Ų55.139%0.3930%0.304SS..PPolyproline II helixtrans-67.7148.2176.427.2-33.4000110.7I239 L247I239-P245 VanDerWaalsContact CD1-CD 3.47Å; I239-P245 HydrophobicContact CD1-CG 4.34Å; P245-L247 VanDerWaalsContact C-N 3.29Å; P245-L247 HydrophobicContact CB-CD2 4.19Å; P245-L247 HydrophobicContact CB-CG 4.48Å; P245-L247 HydrophobicContact CG-CD1 4.48Å; P245-L247 HydrophobicContact CG-CD2 3.85Å; P245-L247 HydrophobicContact CG-CG 4Å; P245-L247 PolarHBondContact O-N 2.92Å
246K89.7Confident85.7Confident51 Ų5155.5 Ų55.522%0.22231%0.306CS..  trans-73.881172.8-64-58.1-163.7175.30110.5K249 G270 G271 T272 V273 E274 I276K246-K249 VanDerWaalsContact O-CE 3.3Å; K246-K249 WeakPolarHBondContact O-CE 3.37Å; K246-K249 PolarHBondContact O-NZ 2.53Å; K246-G270 PolarHBondContact NZ-O 3.2Å; K246-G271 WeakPolarHBondContact CD-O 3.37Å; K246-G271 PolarHBondContact NZ-O 2.91Å; K246-T272 CarbonylContact C-O 3.57Å; K246-T272 VanDerWaalsContact CA-O 3.23Å; K246-T272 WeakPolarHBondContact CA-O 3.36Å; K246-V273 WeakPolarHBondContact CE-O 3.34Å; K246-V273 PolarHBondContact NZ-O 3.25Å; K246-E274 HydrophobicContact CB-CB 4.3Å; K246-I276 PolarHBondContact NZ-O 2.98Å
247L93.3Very high85.8Confident71 Ų7157.3 Ų57.337%0.37231%0.312SS..  trans-75.1-38.7-177.4-60.7175.1000112.2L171 V237 P245 K249 T272L171-L247 HydrophobicContact CD2-CB 4.39Å; L171-L247 HydrophobicContact CD2-CD1 4.38Å; V237-L247 HydrophobicContact CG1-CD1 4.33Å; V237-L247 HydrophobicContact CG2-CD1 4.46Å; P245-L247 VanDerWaalsContact C-N 3.29Å; P245-L247 HydrophobicContact CB-CD2 4.19Å; P245-L247 HydrophobicContact CB-CG 4.48Å; P245-L247 HydrophobicContact CG-CD1 4.48Å; P245-L247 HydrophobicContact CG-CD2 3.85Å; P245-L247 HydrophobicContact CG-CG 4Å; P245-L247 PolarHBondContact O-N 2.92Å; L247-K249 PolarHBondContact O-N 3.08Å; L247-T272 HydrophobicContact CB-CG2 3.62Å; L247-T272 HydrophobicContact CD1-CG2 3.96Å; L247-T272 HydrophobicContact CG-CG2 3.86Å; L247-T272 PolarHBondContact N-O 2.68Å
248V97.2Very high86.3Confident0 Ų061 Ų610%034%0.337CS..BIsolated β-bridgetrans-86.1107.1178.9-176.80000108.3L171 L223 I227 F233 M252 V253 T272 V273 E274L171-V248 HydrophobicContact CD2-CG2 3.87Å; L223-V248 HydrophobicContact CD2-CG2 4.34Å; I227-V248 HydrophobicContact CD1-CG1 3.59Å; F233-V248 HydrophobicContact CE1-CG2 3.72Å; F233-V248 HydrophobicContact CZ-CG2 3.6Å; V248-M252 HydrophobicContact CG1-CB 4.33Å; V248-V253 HydrophobicContact CG1-CG2 3.96Å; V248-T272 PolarHBondContact N-O 3.2Å; V248-V273 HydrophobicContact CB-CB 4.39Å; V248-V273 HydrophobicContact CB-CG1 4.28Å; V248-V273 HydrophobicContact CB-CG2 4.11Å; V248-V273 HydrophobicContact CG1-CG1 4.17Å; V248-V273 HydrophobicContact CG2-CG2 4.26Å; V248-E274 VanDerWaalsContact O-CB 3.24Å; V248-E274 WeakPolarHBondContact O-CB 3.36Å; V248-E274 PolarHBondContact O-N 3Å
249K97.7Very high87.3Confident74 Ų7457.2 Ų57.232%0.32232%0.318SS..  trans-81.6157.7-176-59.9-54.1-171.2-174.60112.3K246 L247 Y251 M252 V253 E274K246-K249 VanDerWaalsContact O-CE 3.3Å; K246-K249 WeakPolarHBondContact O-CE 3.37Å; K246-K249 PolarHBondContact O-NZ 2.53Å; L247-K249 PolarHBondContact O-N 3.08Å; K249-Y251 VanDerWaalsContact C-N 3.33Å; K249-Y251 HydrophobicContact CB-CD1 3.61Å; K249-Y251 HydrophobicContact CB-CE1 3.31Å; K249-Y251 HydrophobicContact CG-CD1 4.48Å; K249-Y251 HydrophobicContact CG-CE1 3.76Å; K249-Y251 PolarHBondContact O-N 3.31Å; K249-M252 HydrophobicContact CB-CE 4.41Å; K249-M252 HydrophobicContact CB-CG 4.16Å; K249-M252 HydrophobicContact CB-SD 4.3Å; K249-M252 HydrophobicContact CG-CE 4.21Å; K249-M252 VanDerWaalsContact O-CB 3.27Å; K249-M252 WeakPolarHBondContact O-CB 3.12Å; K249-M252 PolarHBondContact O-N 3.35Å; K249-V253 PolarHBondContact O-N 3.24Å; K249-E274 VanDerWaalsContact CA-OE2 3.25Å; K249-E274 WeakPolarHBondContact CA-OE2 3.4Å; K249-E274 WeakPolarHBondContact CD-OE2 3.48Å; K249-E274 IonicContact NZ-OE1 2.74Å
250E98.3Very high88.7Confident66 Ų6653.7 Ų53.731%0.30830%0.3SS..Hα-helixtrans-56.8-43.4-178.9179.6156.8-151.100113M252 V253 E254 E274 T275 K289 H290E250-M252 PolarHBondContact O-N 3.45Å; E250-V253 WeakPolarHBondContact O-CB 3.46Å; E250-V253 PolarHBondContact O-N 2.78Å; E250-E254 PolarHBondContact O-N 3.09Å; E250-E274 PolarHBondContact N-OE2 3.33Å; E250-T275 HydrophobicContact CB-CG2 4.02Å; E250-T275 HydrophobicContact CG-CG2 3.81Å; E250-K289 WeakPolarHBondContact OE1-CE 3.43Å; E250-K289 IonicContact OE1-NZ 3.61Å; E250-K289 PolarHBondContact OE1-NZ 3.33Å; E250-K289 IonicContact OE2-NZ 3.91Å; E250-H290 IonicContact OE1-CD2 3.33Å; E250-H290 IonicContact OE1-CE1 3.97Å; E250-H290 IonicContact OE1-NE2 2.62Å; E250-H290 PolarHBondContact OE1-NE2 2.96Å
251Y98.3Very high90.4Very high112 Ų11249.3 Ų49.344%0.43927%0.271SS..Hα-helixtrans-63.9-25.7176.773.7-94.3000113.3E224 K249 S255E224-Y251 HydrophobicContact CG-CE2 4.01Å; E224-Y251 PolarHBondContact OE1-OH 3.48Å; K249-Y251 VanDerWaalsContact C-N 3.33Å; K249-Y251 HydrophobicContact CB-CD1 3.61Å; K249-Y251 HydrophobicContact CB-CE1 3.31Å; K249-Y251 HydrophobicContact CG-CD1 4.48Å; K249-Y251 HydrophobicContact CG-CE1 3.76Å; K249-Y251 PolarHBondContact O-N 3.31Å; Y251-S255 PolarHBondContact O-N 3.26Å
252M98.7Very high92.3Very high4 Ų445.8 Ų45.82%0.0224%0.235CC..Hα-helixtrans-70.2-41.1174.6-60.6178.7178.800109.8T220 L223 E224 I227 V248 K249 E250 S255T220-M252 HydrophobicContact CG2-CE 4.19Å; L223-M252 HydrophobicContact CD2-CE 4.3Å; L223-M252 HydrophobicContact CD2-SD 3.9Å; L223-M252 HydrophobicContact CG-SD 3.99Å; E224-M252 HydrophobicContact CG-CE 3.71Å; E224-M252 HydrophobicContact CG-CG 4.21Å; E224-M252 HydrophobicContact CG-SD 4.47Å; I227-M252 HydrophobicContact CD1-CB 4.24Å; I227-M252 HydrophobicContact CG2-CB 4.22Å; V248-M252 HydrophobicContact CG1-CB 4.33Å; K249-M252 HydrophobicContact CB-CE 4.41Å; K249-M252 HydrophobicContact CB-CG 4.16Å; K249-M252 HydrophobicContact CB-SD 4.3Å; K249-M252 HydrophobicContact CG-CE 4.21Å; K249-M252 VanDerWaalsContact O-CB 3.27Å; K249-M252 WeakPolarHBondContact O-CB 3.12Å; K249-M252 PolarHBondContact O-N 3.35Å; E250-M252 PolarHBondContact O-N 3.45Å; M252-S255 PolarHBondContact O-N 3.44Å; M252-S255 PolarHBondContact O-OG 3.36Å
253V98.6Very high94.1Very high0 Ų043.6 Ų43.60%022%0.217CC..Hα-helixtrans-65-42.2175.3-1790000111.1V248 K249 E250 S255 M256 I262 V273 T275 V292V248-V253 HydrophobicContact CG1-CG2 3.96Å; K249-V253 PolarHBondContact O-N 3.24Å; E250-V253 WeakPolarHBondContact O-CB 3.46Å; E250-V253 PolarHBondContact O-N 2.78Å; V253-S255 PolarHBondContact O-N 3.32Å; V253-M256 WeakPolarHBondContact O-CB 3.35Å; V253-M256 PolarHBondContact O-N 2.68Å; V253-M256 VanDerWaalsContact O-N 3.14Å; V253-I262 HydrophobicContact CB-CD1 4.45Å; V253-I262 HydrophobicContact CG1-CD1 3.91Å; V253-I262 HydrophobicContact CG2-CD1 3.85Å; V253-V273 HydrophobicContact CG2-CG1 4.1Å; V253-T275 HydrophobicContact CB-CG2 4.03Å; V253-T275 HydrophobicContact CG1-CG2 4.17Å; V253-T275 HydrophobicContact CG2-CG2 4Å; V253-V292 HydrophobicContact CG1-CB 4.12Å; V253-V292 HydrophobicContact CG1-CG1 4.38Å; V253-V292 HydrophobicContact CG1-CG2 4.13Å
254E98.4Very high95.5Very high110 Ų11036.6 Ų36.651%0.51419%0.187SC..Hα-helixtrans-59.7-26.2174.3-71176.5178.300113.3E250 H290E250-E254 PolarHBondContact O-N 3.09Å; E254-H290 HydrophobicContact CG-CB 4.08Å; E254-H290 WeakPolarHBondContact CG-CD2 3.49Å; E254-H290 IonicContact OE1-CD2 2.71Å; E254-H290 IonicContact OE1-CE1 2.91Å; E254-H290 PolarHBondContact OE1-CE1 3.13Å; E254-H290 VanDerWaalsContact OE1-CE1 3.27Å; E254-H290 IonicContact OE1-NE2 3.02Å; E254-H290 PolarHBondContact OE1-NE2 3.15Å
255S98.5Very high96.6Very high42 Ų4237.6 Ų37.629%0.29419%0.192SC..THydrogen-bonded Turntrans-83.6-10.1179.9790000114.4K228 Y251 M252 V253K228-S255 WeakPolarHBondContact CG-OG 3.26Å; Y251-S255 PolarHBondContact O-N 3.26Å; M252-S255 PolarHBondContact O-N 3.44Å; M252-S255 PolarHBondContact O-OG 3.36Å; V253-S255 PolarHBondContact O-N 3.32Å
256M98.7Very high96.8Very high8 Ų835 Ų354%0.03918%0.176CC..SBendtrans-71.1161.2178.2-61.2-176.175.100112.1I227 A230 F233 V253 S260 I262 V292I227-M256 HydrophobicContact CD1-CG 4.45Å; I227-M256 HydrophobicContact CD1-SD 4.1Å; I227-M256 HydrophobicContact CG1-CE 4.1Å; I227-M256 HydrophobicContact CG1-CG 3.88Å; I227-M256 HydrophobicContact CG1-SD 3.84Å; A230-M256 HydrophobicContact CB-CE 4.03Å; F233-M256 HydrophobicContact CB-CE 3.72Å; V253-M256 WeakPolarHBondContact O-CB 3.35Å; V253-M256 PolarHBondContact O-N 2.68Å; V253-M256 VanDerWaalsContact O-N 3.14Å; M256-S260 WeakPolarHBondContact CE-OG 3.17Å; M256-I262 HydrophobicContact CE-CG1 4.01Å; M256-I262 HydrophobicContact SD-CD1 3.62Å; M256-I262 HydrophobicContact SD-CG1 3.75Å; M256-V292 HydrophobicContact CB-CG2 3.75Å; M256-V292 HydrophobicContact SD-CG1 4.02Å; M256-V292 HydrophobicContact SD-CG2 4.34Å
257K97.9Very high96.7Very high56 Ų5633.2 Ų33.224%0.24317%0.168CC..PPolyproline II helixtrans-62.5131.6174.9-68.9176.2-72.8-177.50110.7E153 E229 A230 D231 G259 S260E153-K257 IonicContact OE2-NZ 3.27Å; E229-K257 WeakPolarHBondContact O-CE 3.14Å; E229-K257 PolarHBondContact O-NZ 3.03Å; A230-K257 VanDerWaalsContact O-CE 3.32Å; A230-K257 WeakPolarHBondContact O-CE 3.35Å; D231-K257 IonicContact OD1-NZ 3.29Å; D231-K257 PolarHBondContact OD1-NZ 3.2Å; D231-K257 IonicContact OD2-NZ 4Å; D231-K257 PolarHBondContact OD2-NZ 2.95Å; K257-G259 PolarHBondContact O-N 2.88Å; K257-S260 WeakPolarHBondContact O-CB 3.49Å; K257-S260 PolarHBondContact O-N 2.9Å; K257-S260 PolarHBondContact O-OG 3.27Å
258P97.7Very high96Very high106 Ų10633.4 Ų33.469%0.68817%0.17SC*.THydrogen-bonded Turntrans-57124.3171.3-25.935.1000111.3
259G98Very high94.7Very high5 Ų536 Ų365%0.05218%0.182CC..THydrogen-bonded Turntrans96-4.7-176.100000114.9G152 E153 K257 G291G152-G259 CarbonylContact C-O 3.5Å; G152-G259 VanDerWaalsContact CA-O 3.23Å; G152-G259 WeakPolarHBondContact CA-O 3.48Å; E153-G259 PolarHBondContact N-O 2.61Å; K257-G259 PolarHBondContact O-N 2.88Å; G259-G291 PolarHBondContact N-O 3.49Å
260S98.7Very high93.8Very high0 Ų033.8 Ų33.80%018%0.18CC..  trans-65.1162.6171.966.60000111.5A230 D231 M256 K257 V292 I293A230-S260 WeakPolarHBondContact O-CB 3.27Å; D231-S260 WeakPolarHBondContact O-CA 3.35Å; D231-S260 WeakPolarHBondContact O-CB 3.35Å; M256-S260 WeakPolarHBondContact CE-OG 3.17Å; K257-S260 WeakPolarHBondContact O-CB 3.49Å; K257-S260 PolarHBondContact O-N 2.9Å; K257-S260 PolarHBondContact O-OG 3.27Å; S260-V292 WeakPolarHBondContact O-CG1 3.43Å; S260-I293 PolarHBondContact O-N 3.23Å
261V98.8Very high93.2Very high0 Ų030.6 Ų30.60%017%0.165CC..EExtended strand (participates in β ladder)trans-118.3128.2-177.6-171.80000111.3L146 D231 V232 F233 V263 I293L146-V261 HydrophobicContact CB-CG2 4.19Å; L146-V261 HydrophobicContact CD1-CG2 4.07Å; D231-V261 PolarHBondContact O-N 3.44Å; V232-V261 CarbonylContact C-O 3.36Å; V232-V261 VanDerWaalsContact CA-O 3.31Å; V232-V261 WeakPolarHBondContact CA-O 3.26Å; F233-V261 PolarHBondContact N-O 3.19Å; V261-V263 HydrophobicContact CG1-CG2 4.15Å; V261-I293 CarbonylContact C-O 3.54Å; V261-I293 WeakPolarHBondContact CA-O 3.47Å; V261-I293 HydrophobicContact CG1-CB 4.48Å; V261-I293 HydrophobicContact CG1-CG2 4.43Å; V261-I293 HydrophobicContact CG2-CB 4.31Å
262I98.8Very high92.9Very high0 Ų025.3 Ų25.30%014%0.144CC..EExtended strand (participates in β ladder)trans-97.4131.4166.3-71.1171.5000108.8F233 V253 M256 V273 V292 I293 Y295F233-I262 HydrophobicContact CB-CG1 4.22Å; F233-I262 HydrophobicContact CD1-CG1 4.24Å; F233-I262 HydrophobicContact CD1-CG2 4.32Å; F233-I262 CarbonylContact O-C 3.6Å; F233-I262 WeakPolarHBondContact O-CA 3.38Å; V253-I262 HydrophobicContact CB-CD1 4.45Å; V253-I262 HydrophobicContact CG1-CD1 3.91Å; V253-I262 HydrophobicContact CG2-CD1 3.85Å; M256-I262 HydrophobicContact CE-CG1 4.01Å; M256-I262 HydrophobicContact SD-CD1 3.62Å; M256-I262 HydrophobicContact SD-CG1 3.75Å; I262-V273 HydrophobicContact CD1-CG1 4.34Å; I262-V273 HydrophobicContact CG2-CG1 4.49Å; I262-V273 HydrophobicContact CG2-CG2 3.96Å; I262-V292 HydrophobicContact CB-CG1 4.47Å; I262-V292 HydrophobicContact CD1-CG1 3.74Å; I262-V292 HydrophobicContact CG1-CG1 3.78Å; I262-I293 PolarHBondContact N-O 2.88Å; I262-Y295 PolarHBondContact O-N 3.31Å
263V98.6Very high92.8Very high0 Ų025.1 Ų25.10%014%0.143CC..EExtended strand (participates in β ladder)trans-121.7111.1169.3-1730000108.6A138 F233 I234 S235 V261 Y295 M300A138-V263 HydrophobicContact CB-CB 4.27Å; A138-V263 HydrophobicContact CB-CG1 3.7Å; F233-V263 PolarHBondContact O-N 3.21Å; I234-V263 CarbonylContact C-O 3.51Å; I234-V263 VanDerWaalsContact CA-O 3.31Å; I234-V263 WeakPolarHBondContact CA-O 3.35Å; I234-V263 HydrophobicContact CG1-CB 4.43Å; S235-V263 PolarHBondContact N-O 2.85Å; V261-V263 HydrophobicContact CG1-CG2 4.15Å; V263-Y295 HydrophobicContact CG1-CD1 3.91Å; V263-Y295 HydrophobicContact CG1-CG 4.45Å; V263-M300 HydrophobicContact CG1-CE 4.1Å; V263-M300 HydrophobicContact CG1-SD 4.45Å
264D96.7Very high92.6Very high0 Ų028.9 Ų28.90%016%0.161CC..EExtended strand (participates in β ladder)trans-100.2117.7174.8-164.2-3.5000109.2S235 I267 G271 T272 V273 I276 Y295S235-D264 VanDerWaalsContact CB-OD1 3.3Å; S235-D264 WeakPolarHBondContact CB-OD1 3.42Å; S235-D264 PolarHBondContact OG-OD1 3.31Å; D264-I267 HydrophobicContact CB-CD1 3.81Å; D264-I267 HydrophobicContact CB-CG1 4.1Å; D264-I267 VanDerWaalsContact O-CG1 3.24Å; D264-I267 WeakPolarHBondContact O-CG1 3.33Å; D264-G271 VanDerWaalsContact OD2-CA 3.25Å; D264-G271 WeakPolarHBondContact OD2-CA 3.47Å; D264-T272 PolarHBondContact OD2-N 3.04Å; D264-V273 HydrophobicContact CB-CG2 4.2Å; D264-V273 PolarHBondContact OD2-N 3.07Å; D264-I276 HydrophobicContact CB-CD1 3.71Å; D264-Y295 PolarHBondContact N-O 3.43Å
265I93.8Very high92.6Very high24 Ų2423.7 Ų23.712%0.12314%0.137CC..SBendtrans-77.9-38.8-173.6-66-174.3000111.5A134 A138 A176 I234 S235 T236 I267 M300A134-I265 HydrophobicContact CB-CD1 4.29Å; A134-I265 HydrophobicContact CB-CG2 3.63Å; A138-I265 HydrophobicContact CB-CD1 4.01Å; A138-I265 HydrophobicContact CB-CG1 4.24Å; A176-I265 HydrophobicContact CB-CD1 4.14Å; I234-I265 HydrophobicContact CG2-CD1 4Å; I234-I265 HydrophobicContact CG2-CG1 4.23Å; S235-I265 WeakPolarHBondContact O-CB 3.18Å; S235-I265 PolarHBondContact O-N 2.87Å; T236-I265 HydrophobicContact CG2-CD1 3.85Å; I265-I267 PolarHBondContact O-N 3.39Å; I265-I267 VanDerWaalsContact O-N 3.11Å; I265-M300 HydrophobicContact CB-SD 4.31Å; I265-M300 HydrophobicContact CG1-SD 3.95Å; I265-M300 HydrophobicContact CG2-SD 4.36Å
266A86.5Confident92.4Very high6 Ų622.1 Ų22.15%0.0513%0.125CC..  trans-87.935.2-169.900000113.5V237 L238 D268 Q269 G270 G271V237-A266 WeakPolarHBondContact O-CB 3.15Å; L238-A266 HydrophobicContact CD1-CB 4.47Å; A266-D268 VanDerWaalsContact C-N 3.33Å; A266-D268 PolarHBondContact O-N 3.25Å; A266-Q269 PolarHBondContact O-N 2.89Å; A266-Q269 VanDerWaalsContact O-N 3.16Å; A266-G270 PolarHBondContact O-N 2.88Å; A266-G271 WeakPolarHBondContact O-CA 3.36Å; A266-G271 PolarHBondContact O-N 3.08Å
267I87.2Confident92Very high13 Ų1327.9 Ų27.97%0.06716%0.156CC..G310 helixtrans-66.3-34.7-176.5-68.5-68.3000112.6D264 I265 Q269 G270 I276 P279 A296 P298D264-I267 HydrophobicContact CB-CD1 3.81Å; D264-I267 HydrophobicContact CB-CG1 4.1Å; D264-I267 VanDerWaalsContact O-CG1 3.24Å; D264-I267 WeakPolarHBondContact O-CG1 3.33Å; I265-I267 PolarHBondContact O-N 3.39Å; I265-I267 VanDerWaalsContact O-N 3.11Å; I267-Q269 PolarHBondContact O-N 3.4Å; I267-Q269 VanDerWaalsContact O-N 3.12Å; I267-G270 PolarHBondContact O-N 2.79Å; I267-I276 HydrophobicContact CD1-CD1 3.94Å; I267-I276 HydrophobicContact CD1-CG2 3.77Å; I267-P279 HydrophobicContact CG2-CB 3.6Å; I267-A296 HydrophobicContact CD1-CB 3.9Å; I267-A296 HydrophobicContact CG1-CB 4.19Å; I267-A296 WeakPolarHBondContact CG2-O 3.44Å; I267-P298 HydrophobicContact CG2-CB 4.2Å
268D78Confident91.5Very high75 Ų7532.1 Ų32.140%0.40117%0.174SC..G310 helixtrans-60.5-19.5175.455.9-11.8000113.1A266 P298A266-D268 VanDerWaalsContact C-N 3.33Å; A266-D268 PolarHBondContact O-N 3.25Å; D268-P298 HydrophobicContact CB-CB 4.15Å
269Q71Confident91.2Very high55 Ų5531.2 Ų31.226%0.25717%0.168SC..G310 helixtrans-105.14.2174.3-60-65-20.500113.3H94 L238 P244 A266 I267H94-Q269 PolarHBondContact CD2-NE2 2.91Å; L238-Q269 HydrophobicContact CD1-CB 4.05Å; L238-Q269 HydrophobicContact CD1-CG 3.73Å; P244-Q269 VanDerWaalsContact CD-O 3.26Å; P244-Q269 WeakPolarHBondContact CD-O 3.42Å; A266-Q269 PolarHBondContact O-N 2.89Å; A266-Q269 VanDerWaalsContact O-N 3.16Å; I267-Q269 PolarHBondContact O-N 3.4Å; I267-Q269 VanDerWaalsContact O-N 3.12Å
270G78Confident91Very high27 Ų2731.9 Ų31.928%0.27817%0.171SC..THydrogen-bonded Turntrans109.3-7.7175.400000116.1K246 A266 I267K246-G270 PolarHBondContact NZ-O 3.2Å; A266-G270 PolarHBondContact O-N 2.88Å; I267-G270 PolarHBondContact O-N 2.79Å
271G86.2Confident90.6Very high0 Ų035.8 Ų35.80%019%0.192CC..  trans69160.8173.700000115.9K246 D264 A266K246-G271 WeakPolarHBondContact CD-O 3.37Å; K246-G271 PolarHBondContact NZ-O 2.91Å; D264-G271 VanDerWaalsContact OD2-CA 3.25Å; D264-G271 WeakPolarHBondContact OD2-CA 3.47Å; A266-G271 WeakPolarHBondContact O-CA 3.36Å; A266-G271 PolarHBondContact O-N 3.08Å
272T91.4Very high90Very high0 Ų039.2 Ų39.20%021%0.208CC..SBendtrans-101.7-14.5-175.8-57.70000112.5L171 S235 V237 K246 L247 V248 D264L171-T272 HydrophobicContact CD2-CG2 4.08Å; S235-T272 WeakPolarHBondContact OG-CB 3.43Å; S235-T272 PolarHBondContact OG-OG1 2.79Å; V237-T272 HydrophobicContact CB-CG2 4.48Å; K246-T272 CarbonylContact C-O 3.57Å; K246-T272 VanDerWaalsContact CA-O 3.23Å; K246-T272 WeakPolarHBondContact CA-O 3.36Å; L247-T272 HydrophobicContact CB-CG2 3.62Å; L247-T272 HydrophobicContact CD1-CG2 3.96Å; L247-T272 HydrophobicContact CG-CG2 3.86Å; L247-T272 PolarHBondContact N-O 2.68Å; V248-T272 PolarHBondContact N-O 3.2Å; D264-T272 PolarHBondContact OD2-N 3.04Å
273V96.8Very high89.5Confident0 Ų043.8 Ų43.80%025%0.246CC..BIsolated β-bridgetrans-93126.3-177.7-173.60000111.4K246 V248 V253 I262 D264 T275 I276K246-V273 WeakPolarHBondContact CE-O 3.34Å; K246-V273 PolarHBondContact NZ-O 3.25Å; V248-V273 HydrophobicContact CB-CB 4.39Å; V248-V273 HydrophobicContact CB-CG1 4.28Å; V248-V273 HydrophobicContact CB-CG2 4.11Å; V248-V273 HydrophobicContact CG1-CG1 4.17Å; V248-V273 HydrophobicContact CG2-CG2 4.26Å; V253-V273 HydrophobicContact CG2-CG1 4.1Å; I262-V273 HydrophobicContact CD1-CG1 4.34Å; I262-V273 HydrophobicContact CG2-CG1 4.49Å; I262-V273 HydrophobicContact CG2-CG2 3.96Å; D264-V273 HydrophobicContact CB-CG2 4.2Å; D264-V273 PolarHBondContact OD2-N 3.07Å; V273-T275 VanDerWaalsContact CG1-OG1 3.26Å; V273-T275 WeakPolarHBondContact CG1-OG1 3.34Å; V273-I276 HydrophobicContact CB-CD1 3.82Å; V273-I276 HydrophobicContact CB-CG1 3.99Å; V273-I276 HydrophobicContact CG1-CD1 4.34Å; V273-I276 HydrophobicContact CG1-CG1 4.17Å; V273-I276 HydrophobicContact CG2-CD1 4.29Å; V273-I276 PolarHBondContact O-N 3.05Å
274E96Very high89.2Confident79 Ų7948.9 Ų48.937%0.36927%0.273SS..THydrogen-bonded Turntrans-68.2-34.9-174-175.4167.4-124.100113.2K246 V248 K249 E250 I276K246-E274 HydrophobicContact CB-CB 4.3Å; V248-E274 VanDerWaalsContact O-CB 3.24Å; V248-E274 WeakPolarHBondContact O-CB 3.36Å; V248-E274 PolarHBondContact O-N 3Å; K249-E274 VanDerWaalsContact CA-OE2 3.25Å; K249-E274 WeakPolarHBondContact CA-OE2 3.4Å; K249-E274 WeakPolarHBondContact CD-OE2 3.48Å; K249-E274 IonicContact NZ-OE1 2.74Å; E250-E274 PolarHBondContact N-OE2 3.33Å; E274-I276 PolarHBondContact O-N 3.35Å
275T97.4Very high89.1Confident2 Ų249.7 Ų49.71%0.01228%0.279CS..THydrogen-bonded Turntrans-70.8-11.8177.347.80000113.9E250 V253 V273 D277 K289 H294E250-T275 HydrophobicContact CB-CG2 4.02Å; E250-T275 HydrophobicContact CG-CG2 3.81Å; V253-T275 HydrophobicContact CB-CG2 4.03Å; V253-T275 HydrophobicContact CG1-CG2 4.17Å; V253-T275 HydrophobicContact CG2-CG2 4Å; V273-T275 VanDerWaalsContact CG1-OG1 3.26Å; V273-T275 WeakPolarHBondContact CG1-OG1 3.34Å; T275-D277 PolarHBondContact O-N 3.38Å; T275-K289 HydrophobicContact CG2-CD 4.07Å; T275-H294 PolarHBondContact OG1-CD2 3.47Å; T275-H294 PolarHBondContact OG1-NE2 3.05Å
276I95.2Very high89.3Confident8 Ų850 Ų504%0.04128%0.282CS..  trans-90.791.7171.5-52.9176.6000108.3K246 D264 I267 V273 E274 F287 H294 A296K246-I276 PolarHBondContact NZ-O 2.98Å; D264-I276 HydrophobicContact CB-CD1 3.71Å; I267-I276 HydrophobicContact CD1-CD1 3.94Å; I267-I276 HydrophobicContact CD1-CG2 3.77Å; V273-I276 HydrophobicContact CB-CD1 3.82Å; V273-I276 HydrophobicContact CB-CG1 3.99Å; V273-I276 HydrophobicContact CG1-CD1 4.34Å; V273-I276 HydrophobicContact CG1-CG1 4.17Å; V273-I276 HydrophobicContact CG2-CD1 4.29Å; V273-I276 PolarHBondContact O-N 3.05Å; E274-I276 PolarHBondContact O-N 3.35Å; I276-F287 HydrophobicContact CB-CZ 4.49Å; I276-F287 HydrophobicContact CG1-CZ 4.11Å; I276-H294 HydrophobicContact CG1-CB 4.47Å; I276-A296 HydrophobicContact CD1-CB 4.06Å; I276-A296 HydrophobicContact CG1-CB 4.48Å; I276-A296 HydrophobicContact CG2-CB 3.61Å
277D89.6Confident89.8Confident129 Ų12952.3 Ų52.369%0.6929%0.291SS*.  trans-87.6-23.8176.966.6-17.7000112.5T275T275-D277 PolarHBondContact O-N 3.38Å
278K88.1Confident90.3Very high146 Ų14656 Ų5664%0.63531%0.313SS*.SBendtrans-138.4142.3178.6-63177.4-172.8171.80111.7
279P90.5Very high91.3Very high86 Ų8655.6 Ų55.656%0.55831%0.308SS*.  trans-67.1146.2172.229.3-34.3000111I267 P298I267-P279 HydrophobicContact CG2-CB 3.6Å; P279-P298 HydrophobicContact CB-CG 4.26Å
280T93.7Very high92.5Very high19 Ų1956.6 Ų56.612%0.11731%0.313CS..  trans-88.8-171.1166570000110.1D284 P285 F287 A296 V297 P298T280-D284 VanDerWaalsContact CB-O 3.3Å; T280-D284 WeakPolarHBondContact CB-O 3.28Å; T280-P285 WeakPolarHBondContact CB-O 3.07Å; T280-P285 PolarHBondContact OG1-O 3.32Å; T280-F287 HydrophobicContact CG2-CD1 3.67Å; T280-F287 HydrophobicContact CG2-CE1 4.23Å; T280-A296 HydrophobicContact CG2-CB 4.18Å; T280-A296 PolarHBondContact N-O 3.24Å; T280-A296 WeakPolarHBondContact OG1-CA 3.46Å; T280-A296 PolarHBondContact OG1-N 3.29Å; T280-A296 PolarHBondContact OG1-O 3.04Å; T280-A296 VanDerWaalsContact OG1-O 3.11Å; T280-V297 VanDerWaalsContact OG1-CG2 3.29Å; T280-V297 WeakPolarHBondContact OG1-CG2 3.44Å; T280-V297 PolarHBondContact OG1-N 3.2Å; T280-V297 VanDerWaalsContact OG1-N 3.13Å; T280-P298 WeakPolarHBondContact O-CD 3.26Å
281N90Very high93.5Very high83 Ų8356.9 Ų56.944%0.44432%0.316SS..  trans-143.5169.9177.864.470.3000111.4A283 D284 P285N281-A283 PolarHBondContact O-N 2.81Å; N281-A283 VanDerWaalsContact O-N 3.11Å; N281-A283 WeakPolarHBondContact OD1-CA 3.42Å; N281-A283 WeakPolarHBondContact OD1-CB 3.31Å; N281-A283 PolarHBondContact OD1-N 3.35Å; N281-D284 PolarHBondContact N-O 3.46Å; N281-D284 CarbonylContact O-C 3.5Å; N281-D284 PolarHBondContact O-N 2.99Å; N281-D284 VanDerWaalsContact O-O 3.14Å; N281-D284 PolarHBondContact OD1-N 3.49Å; N281-P285 WeakPolarHBondContact O-CA 3.1Å; N281-P285 WeakPolarHBondContact O-CB 3.46Å; N281-P285 VanDerWaalsContact O-N 3.12Å
282H87.4Confident94.1Very high71 Ų7156.9 Ų56.933%0.32932%0.316SS..SBendtrans-60.8-23.6-176.6-68.8-63.3000114.3V297 N299H282-V297 VanDerWaalsContact CE1-CG1 3.45Å; H282-V297 WeakPolarHBondContact CE1-CG1 3.4Å; H282-N299 PolarHBondContact NE2-O 2.84Å
283A88Confident94.4Very high96 Ų9656.9 Ų56.979%0.79332%0.316SS*.SBendtrans-86-32.3179.300000113.2N281N281-A283 PolarHBondContact O-N 2.81Å; N281-A283 VanDerWaalsContact O-N 3.11Å; N281-A283 WeakPolarHBondContact OD1-CA 3.42Å; N281-A283 WeakPolarHBondContact OD1-CB 3.31Å; N281-A283 PolarHBondContact OD1-N 3.35Å
284D92.5Very high94.5Very high108 Ų10856.9 Ų56.958%0.57832%0.316SS*.SBendtrans-131.481.3173.2-172.826.1000109T280 N281T280-D284 VanDerWaalsContact CB-O 3.3Å; T280-D284 WeakPolarHBondContact CB-O 3.28Å; N281-D284 PolarHBondContact N-O 3.46Å; N281-D284 CarbonylContact O-C 3.5Å; N281-D284 PolarHBondContact O-N 2.99Å; N281-D284 VanDerWaalsContact O-O 3.14Å; N281-D284 PolarHBondContact OD1-N 3.49Å
285P94.7Very high94.6Very high17 Ų1753.3 Ų53.311%0.1130%0.299CS..  trans-87.1-15.7-160.330.7-35.9000115.5Y145 T280 N281 Y295 V297Y145-P285 WeakPolarHBondContact OH-CG 3.48Å; T280-P285 WeakPolarHBondContact CB-O 3.07Å; T280-P285 PolarHBondContact OG1-O 3.32Å; N281-P285 WeakPolarHBondContact O-CA 3.1Å; N281-P285 WeakPolarHBondContact O-CB 3.46Å; N281-P285 VanDerWaalsContact O-N 3.12Å; P285-Y295 HydrophobicContact CB-CD2 4.06Å; P285-Y295 HydrophobicContact CB-CE2 3.62Å; P285-V297 HydrophobicContact CB-CG2 3.52Å
286V97.3Very high94.5Very high31 Ų3153.2 Ų53.219%0.18830%0.299CS..EExtended strand (participates in β ladder)trans-133.3152.4-174.3-61.40000112.2Y145 I293 H294 Y295Y145-V286 HydrophobicContact CD1-CG1 3.9Å; Y145-V286 HydrophobicContact CD1-CG2 4Å; Y145-V286 HydrophobicContact CD2-CG1 3.7Å; Y145-V286 HydrophobicContact CE1-CG1 3.87Å; Y145-V286 HydrophobicContact CE1-CG2 3.83Å; Y145-V286 HydrophobicContact CE2-CG1 3.65Å; Y145-V286 HydrophobicContact CG-CG1 3.86Å; V286-I293 HydrophobicContact CB-CG2 3.73Å; V286-I293 HydrophobicContact CG1-CG2 3.9Å; V286-I293 HydrophobicContact CG2-CG2 4.16Å; V286-H294 WeakPolarHBondContact CA-O 3.33Å; V286-Y295 HydrophobicContact CG1-CD2 3.78Å; V286-Y295 HydrophobicContact CG1-CG 4.38Å
287F97.5Very high94.4Very high54 Ų5452.9 Ų52.924%0.23730%0.297CS..EExtended strand (participates in β ladder)trans-133.9161.3164.266.5-86.9000109.5I276 T280 K289 I293 H294 A296I276-F287 HydrophobicContact CB-CZ 4.49Å; I276-F287 HydrophobicContact CG1-CZ 4.11Å; T280-F287 HydrophobicContact CG2-CD1 3.67Å; T280-F287 HydrophobicContact CG2-CE1 4.23Å; F287-K289 HydrophobicContact CD2-CB 4.34Å; F287-K289 HydrophobicContact CE2-CB 4.11Å; F287-I293 CarbonylContact O-C 3.58Å; F287-H294 HydrophobicContact CD1-CB 4.04Å; F287-H294 HydrophobicContact CD2-CB 4.26Å; F287-H294 HydrophobicContact CE1-CB 3.61Å; F287-H294 HydrophobicContact CE2-CB 3.85Å; F287-H294 AromaticContact CE2-CG 3.84Å; F287-H294 HydrophobicContact CG-CB 4.36Å; F287-H294 HydrophobicContact CZ-CB 3.5Å; F287-H294 AromaticContact CZ-CG 3.79Å; F287-H294 PolarHBondContact N-O 3.11Å; F287-H294 VanDerWaalsContact N-O 3.12Å; F287-H294 PolarHBondContact O-N 2.87Å; F287-A296 HydrophobicContact CE1-CB 4.22Å
288T97.8Very high94.2Very high89 Ų8948.7 Ų48.755%0.54628%0.277SS..EExtended strand (participates in β ladder)trans-109.8132.3176.9-57.10000110.2V292T288-V292 WeakPolarHBondContact CA-O 3.41Å
289K97.8Very high94.1Very high67 Ų6743 Ų4329%0.29125%0.253SS..EExtended strand (participates in β ladder)trans-140.2134.4172.4-175.4168.1172.7-171.60108.9E250 T275 F287 G291 V292E250-K289 WeakPolarHBondContact OE1-CE 3.43Å; E250-K289 IonicContact OE1-NZ 3.61Å; E250-K289 PolarHBondContact OE1-NZ 3.33Å; E250-K289 IonicContact OE2-NZ 3.91Å; T275-K289 HydrophobicContact CG2-CD 4.07Å; F287-K289 HydrophobicContact CD2-CB 4.34Å; F287-K289 HydrophobicContact CE2-CB 4.11Å; K289-G291 PolarHBondContact O-N 2.79Å; K289-V292 PolarHBondContact N-O 3.3Å; K289-V292 WeakPolarHBondContact O-CB 3.48Å; K289-V292 PolarHBondContact O-N 2.96Å
290H97.6Very high94.1Very high76 Ų7639 Ų3935%0.35223%0.227SC..THydrogen-bonded Turntrans55.929.5-174.6-54.2-46.9000114.2E250 E254 V292E250-H290 IonicContact OE1-CD2 3.33Å; E250-H290 IonicContact OE1-CE1 3.97Å; E250-H290 IonicContact OE1-NE2 2.62Å; E250-H290 PolarHBondContact OE1-NE2 2.96Å; E254-H290 HydrophobicContact CG-CB 4.08Å; E254-H290 WeakPolarHBondContact CG-CD2 3.49Å; E254-H290 IonicContact OE1-CD2 2.71Å; E254-H290 IonicContact OE1-CE1 2.91Å; E254-H290 PolarHBondContact OE1-CE1 3.13Å; E254-H290 VanDerWaalsContact OE1-CE1 3.27Å; E254-H290 IonicContact OE1-NE2 3.02Å; E254-H290 PolarHBondContact OE1-NE2 3.15Å; H290-V292 PolarHBondContact O-N 3.23Å
291G97.5Very high93.9Very high34 Ų3438.7 Ų38.735%0.35123%0.226SC..THydrogen-bonded Turntrans75.31.8-174.800000114.6G259 K289G259-G291 PolarHBondContact N-O 3.49Å; K289-G291 PolarHBondContact O-N 2.79Å
292V98.7Very high93.8Very high0 Ų034.9 Ų34.90%021%0.206CC..EExtended strand (participates in β ladder)trans-102.1131.9179-179.30000110V253 M256 S260 I262 T288 K289 H290 H294V253-V292 HydrophobicContact CG1-CB 4.12Å; V253-V292 HydrophobicContact CG1-CG1 4.38Å; V253-V292 HydrophobicContact CG1-CG2 4.13Å; M256-V292 HydrophobicContact CB-CG2 3.75Å; M256-V292 HydrophobicContact SD-CG1 4.02Å; M256-V292 HydrophobicContact SD-CG2 4.34Å; S260-V292 WeakPolarHBondContact O-CG1 3.43Å; I262-V292 HydrophobicContact CB-CG1 4.47Å; I262-V292 HydrophobicContact CD1-CG1 3.74Å; I262-V292 HydrophobicContact CG1-CG1 3.78Å; T288-V292 WeakPolarHBondContact CA-O 3.41Å; K289-V292 PolarHBondContact N-O 3.3Å; K289-V292 WeakPolarHBondContact O-CB 3.48Å; K289-V292 PolarHBondContact O-N 2.96Å; H290-V292 PolarHBondContact O-N 3.23Å; V292-H294 PolarHBondContact O-CE1 2.87Å; V292-H294 PolarHBondContact O-ND1 2.85Å
293I98.7Very high94Very high0 Ų033.6 Ų33.60%021%0.208CC..EExtended strand (participates in β ladder)trans-80.6130177-60.7175.1000108.8Y145 H150 S260 V261 I262 V286 F287Y145-I293 WeakPolarHBondContact O-CD1 3.48Å; H150-I293 WeakPolarHBondContact O-CD1 3.18Å; S260-I293 PolarHBondContact O-N 3.23Å; V261-I293 CarbonylContact C-O 3.54Å; V261-I293 WeakPolarHBondContact CA-O 3.47Å; V261-I293 HydrophobicContact CG1-CB 4.48Å; V261-I293 HydrophobicContact CG1-CG2 4.43Å; V261-I293 HydrophobicContact CG2-CB 4.31Å; I262-I293 PolarHBondContact N-O 2.88Å; V286-I293 HydrophobicContact CB-CG2 3.73Å; V286-I293 HydrophobicContact CG1-CG2 3.9Å; V286-I293 HydrophobicContact CG2-CG2 4.16Å; F287-I293 CarbonylContact O-C 3.58Å
294H98.6Very high94.3Very high0 Ų031.3 Ų31.30%018%0.184CC..EExtended strand (participates in β ladder)trans-112.5116.3178.7-66.265.9000109.6T275 I276 V286 F287 V292T275-H294 PolarHBondContact OG1-CD2 3.47Å; T275-H294 PolarHBondContact OG1-NE2 3.05Å; I276-H294 HydrophobicContact CG1-CB 4.47Å; V286-H294 WeakPolarHBondContact CA-O 3.33Å; F287-H294 HydrophobicContact CD1-CB 4.04Å; F287-H294 HydrophobicContact CD2-CB 4.26Å; F287-H294 HydrophobicContact CE1-CB 3.61Å; F287-H294 HydrophobicContact CE2-CB 3.85Å; F287-H294 AromaticContact CE2-CG 3.84Å; F287-H294 HydrophobicContact CG-CB 4.36Å; F287-H294 HydrophobicContact CZ-CB 3.5Å; F287-H294 AromaticContact CZ-CG 3.79Å; F287-H294 PolarHBondContact N-O 3.11Å; F287-H294 VanDerWaalsContact N-O 3.12Å; F287-H294 PolarHBondContact O-N 2.87Å; V292-H294 PolarHBondContact O-CE1 2.87Å; V292-H294 PolarHBondContact O-ND1 2.85Å
295Y98.1Very high94.4Very high3 Ų327.3 Ų27.31%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-92.4112.5166.2-173.5-81.8000109.3L141 Y145 I262 V263 D264 P285 V286 V297 M300L141-Y295 HydrophobicContact CB-CD2 4.47Å; L141-Y295 HydrophobicContact CB-CE2 4.5Å; L141-Y295 HydrophobicContact CD1-CD1 4.3Å; L141-Y295 HydrophobicContact CD1-CD2 4.33Å; L141-Y295 HydrophobicContact CD1-CE1 3.68Å; L141-Y295 HydrophobicContact CD1-CE2 3.73Å; L141-Y295 HydrophobicContact CD2-CD2 4.44Å; L141-Y295 HydrophobicContact CD2-CE2 3.79Å; L141-Y295 HydrophobicContact CG-CE2 4.22Å; Y145-Y295 HydrophobicContact CD2-CD2 4.14Å; Y145-Y295 AromaticContact CE2-CD2 3.69Å; Y145-Y295 HydrophobicContact CE2-CD2 3.69Å; Y145-Y295 HydrophobicContact CE2-CE2 4.02Å; I262-Y295 PolarHBondContact O-N 3.31Å; V263-Y295 HydrophobicContact CG1-CD1 3.91Å; V263-Y295 HydrophobicContact CG1-CG 4.45Å; D264-Y295 PolarHBondContact N-O 3.43Å; P285-Y295 HydrophobicContact CB-CD2 4.06Å; P285-Y295 HydrophobicContact CB-CE2 3.62Å; V286-Y295 HydrophobicContact CG1-CD2 3.78Å; V286-Y295 HydrophobicContact CG1-CG 4.38Å; Y295-V297 HydrophobicContact CD1-CB 4.35Å; Y295-V297 HydrophobicContact CD1-CG2 4.32Å; Y295-V297 HydrophobicContact CD2-CG2 4.3Å; Y295-V297 HydrophobicContact CE1-CB 3.52Å; Y295-V297 HydrophobicContact CE1-CG2 3.71Å; Y295-V297 HydrophobicContact CE2-CB 4.36Å; Y295-V297 HydrophobicContact CE2-CG2 3.68Å; Y295-V297 WeakPolarHBondContact OH-CB 3.24Å; Y295-V297 WeakPolarHBondContact OH-CG2 3.43Å; Y295-M300 HydrophobicContact CE1-CE 4.16Å; Y295-M300 HydrophobicContact CE1-CG 4.1Å; Y295-M300 HydrophobicContact CE1-SD 4.33Å
296A95.5Very high94.5Very high0 Ų033.6 Ų33.60%019%0.186CC..  trans-12838-173.100000112.2I267 I276 T280 F287 P298I267-A296 HydrophobicContact CD1-CB 3.9Å; I267-A296 HydrophobicContact CG1-CB 4.19Å; I267-A296 WeakPolarHBondContact CG2-O 3.44Å; I276-A296 HydrophobicContact CD1-CB 4.06Å; I276-A296 HydrophobicContact CG1-CB 4.48Å; I276-A296 HydrophobicContact CG2-CB 3.61Å; T280-A296 HydrophobicContact CG2-CB 4.18Å; T280-A296 PolarHBondContact N-O 3.24Å; T280-A296 WeakPolarHBondContact OG1-CA 3.46Å; T280-A296 PolarHBondContact OG1-N 3.29Å; T280-A296 PolarHBondContact OG1-O 3.04Å; T280-A296 VanDerWaalsContact OG1-O 3.11Å; F287-A296 HydrophobicContact CE1-CB 4.22Å; A296-P298 WeakPolarHBondContact O-CD 3.43Å
297V93.5Very high94.4Very high1 Ų136.3 Ų36.31%0.00620%0.202CC..  trans-82.6120.4-175.4-179.30000110T280 H282 P285 Y295T280-V297 VanDerWaalsContact OG1-CG2 3.29Å; T280-V297 WeakPolarHBondContact OG1-CG2 3.44Å; T280-V297 PolarHBondContact OG1-N 3.2Å; T280-V297 VanDerWaalsContact OG1-N 3.13Å; H282-V297 VanDerWaalsContact CE1-CG1 3.45Å; H282-V297 WeakPolarHBondContact CE1-CG1 3.4Å; P285-V297 HydrophobicContact CB-CG2 3.52Å; Y295-V297 HydrophobicContact CD1-CB 4.35Å; Y295-V297 HydrophobicContact CD1-CG2 4.32Å; Y295-V297 HydrophobicContact CD2-CG2 4.3Å; Y295-V297 HydrophobicContact CE1-CB 3.52Å; Y295-V297 HydrophobicContact CE1-CG2 3.71Å; Y295-V297 HydrophobicContact CE2-CB 4.36Å; Y295-V297 HydrophobicContact CE2-CG2 3.68Å; Y295-V297 WeakPolarHBondContact OH-CB 3.24Å; Y295-V297 WeakPolarHBondContact OH-CG2 3.43Å
298P85Confident94.3Very high42 Ų4233.8 Ų33.827%0.27319%0.191SC..SBendtrans-66.6153.8172.229.7-32.4000109.8I267 D268 P279 T280 A296I267-P298 HydrophobicContact CG2-CB 4.2Å; D268-P298 HydrophobicContact CB-CB 4.15Å; P279-P298 HydrophobicContact CB-CG 4.26Å; T280-P298 WeakPolarHBondContact O-CD 3.26Å; A296-P298 WeakPolarHBondContact O-CD 3.43Å
299N85.2Confident94.2Very high25 Ų2529.5 Ų29.513%0.13417%0.165CC..  trans58.152.1177-170.129.5000113.7E13 R15 H282 P301 G302E13-N299 PolarHBondContact OE2-ND2 2.93Å; R15-N299 PolarHBondContact NH2-ND2 3.27Å; R15-N299 PolarHBondContact NH2-OD1 2.84Å; H282-N299 PolarHBondContact NE2-O 2.84Å; N299-P301 VanDerWaalsContact C-N 3.27Å; N299-G302 PolarHBondContact O-N 3.22Å
300M90.3Very high94.1Very high2 Ų230.1 Ų30.11%0.0117%0.171CC..G310 helixtrans-50.5-39.2173.9-65.2178.371.200113.7A134 R137 A138 L141 V263 I265 Y295 G302 A303A134-M300 HydrophobicContact CB-CB 4.27Å; A134-M300 HydrophobicContact CB-SD 4.4Å; R137-M300 HydrophobicContact CB-CE 3.96Å; R137-M300 PolarHBondContact NH1-O 3.19Å; A138-M300 HydrophobicContact CB-CE 4.09Å; L141-M300 HydrophobicContact CD1-CE 3.66Å; V263-M300 HydrophobicContact CG1-CE 4.1Å; V263-M300 HydrophobicContact CG1-SD 4.45Å; I265-M300 HydrophobicContact CB-SD 4.31Å; I265-M300 HydrophobicContact CG1-SD 3.95Å; I265-M300 HydrophobicContact CG2-SD 4.36Å; Y295-M300 HydrophobicContact CE1-CE 4.16Å; Y295-M300 HydrophobicContact CE1-CG 4.1Å; Y295-M300 HydrophobicContact CE1-SD 4.33Å; M300-G302 PolarHBondContact O-N 3.32Å; M300-A303 PolarHBondContact O-N 3.32Å
301P89.7Confident93.9Very high13 Ų1327.8 Ų27.88%0.08417%0.165CC..G310 helixtrans-62.6-24.6178.4-2536.6000114.4M130 I133 A134 N299 A303 T304 A308M130-P301 HydrophobicContact CB-CG 4.08Å; M130-P301 HydrophobicContact SD-CB 3.59Å; M130-P301 VanDerWaalsContact SD-CB 3.59Å; M130-P301 HydrophobicContact SD-CG 4Å; I133-P301 HydrophobicContact CB-CB 4.41Å; I133-P301 HydrophobicContact CG2-CB 4.08Å; I133-P301 HydrophobicContact CG2-CG 4.49Å; A134-P301 HydrophobicContact CB-CG 4.47Å; N299-P301 VanDerWaalsContact C-N 3.27Å; P301-A303 PolarHBondContact O-N 3.12Å; P301-T304 CarbonylContact O-C 3.57Å; P301-T304 PolarHBondContact O-N 3.38Å; P301-T304 VanDerWaalsContact O-N 3.16Å; P301-T304 PolarHBondContact O-OG1 3.24Å; P301-A308 HydrophobicContact CB-CB 4.24Å
302G89.2Confident93.6Very high3 Ų326.5 Ų26.53%0.03115%0.15CC..G310 helixtrans-62-24.8-179.300000114.5N299 M300 T304 P305N299-G302 PolarHBondContact O-N 3.22Å; M300-G302 PolarHBondContact O-N 3.32Å; G302-T304 VanDerWaalsContact C-N 3.28Å; G302-T304 PolarHBondContact O-N 3.05Å; G302-P305 WeakPolarHBondContact O-CD 3.38Å
303A91.3Very high93.3Very high45 Ų4526.6 Ų26.637%0.37215%0.15SC..G310 helixtrans-76.7-13.7178.400000113.9R137 M300 P301 P305R137-A303 VanDerWaalsContact CZ-CB 3.41Å; M300-A303 PolarHBondContact O-N 3.32Å; P301-A303 PolarHBondContact O-N 3.12Å; A303-P305 WeakPolarHBondContact O-CD 3.3Å
304T94.3Very high93.1Very high48 Ų4834.8 Ų34.829%0.29419%0.186SC..SBendtrans-117.961.1171.853.10000109I133 P301 G302 R306 T307 A308I133-T304 WeakPolarHBondContact CG2-OG1 3.32Å; P301-T304 CarbonylContact O-C 3.57Å; P301-T304 PolarHBondContact O-N 3.38Å; P301-T304 VanDerWaalsContact O-N 3.16Å; P301-T304 PolarHBondContact O-OG1 3.24Å; G302-T304 VanDerWaalsContact C-N 3.28Å; G302-T304 PolarHBondContact O-N 3.05Å; T304-R306 VanDerWaalsContact C-N 3.34Å; T304-R306 PolarHBondContact O-N 2.82Å; T304-T307 PolarHBondContact O-N 3.28Å; T304-A308 PolarHBondContact O-N 3.21Å
305P94.6Very high92.6Very high24 Ų2436 Ų3616%0.15620%0.199CC..Hα-helixtrans-62-40.8-162.624.8-35000112A14 R15 G42 G302 A303 T307 A308 T309A14-P305 HydrophobicContact CB-CB 3.69Å; A14-P305 HydrophobicContact CB-CG 3.82Å; R15-P305 HydrophobicContact CG-CB 3.89Å; G42-P305 WeakPolarHBondContact O-CG 3.39Å; G302-P305 WeakPolarHBondContact O-CD 3.38Å; A303-P305 WeakPolarHBondContact O-CD 3.3Å; P305-T307 PolarHBondContact O-N 3Å; P305-A308 PolarHBondContact O-N 2.81Å; P305-T309 VanDerWaalsContact O-CB 3.25Å; P305-T309 WeakPolarHBondContact O-CB 3.38Å; P305-T309 PolarHBondContact O-N 3.46Å; P305-T309 PolarHBondContact O-OG1 2.79Å
306R96.4Very high92.4Very high149 Ų14936 Ų3656%0.56220%0.199SC*.Hα-helixtrans-57.5-50178-173.4166.3-174.7-120.61112.8S43 T304 I310S43-R306 VanDerWaalsContact O-CB 3.24Å; S43-R306 WeakPolarHBondContact O-CB 3.41Å; S43-R306 WeakPolarHBondContact O-CD 3.19Å; S43-R306 WeakPolarHBondContact O-CG 3.08Å; T304-R306 VanDerWaalsContact C-N 3.34Å; T304-R306 PolarHBondContact O-N 2.82Å; R306-I310 HydrophobicContact CG-CD1 4.03Å; R306-I310 VanDerWaalsContact O-CG1 3.28Å; R306-I310 WeakPolarHBondContact O-CG1 3.49Å; R306-I310 PolarHBondContact O-N 3.44Å
307T95.6Very high92.5Very high88 Ų8837.2 Ų37.254%0.5421%0.205SC..Hα-helixtrans-64.7-43179.4-590000111.1I133 T304 P305 A311I133-T307 HydrophobicContact CD1-CG2 3.98Å; I133-T307 HydrophobicContact CG1-CG2 4.34Å; T304-T307 PolarHBondContact O-N 3.28Å; P305-T307 PolarHBondContact O-N 3Å; T307-A311 WeakPolarHBondContact O-CB 3.27Å; T307-A311 PolarHBondContact O-N 3.36Å; T307-A311 VanDerWaalsContact O-N 3.14Å
308A94.5Very high92.6Very high0 Ų040.5 Ų40.50%023%0.228CC..Hα-helixtrans-65-47.1178.800000111.9R15 M130 I133 P301 T304 P305 I310 A311 L312R15-A308 HydrophobicContact CG-CB 4.05Å; M130-A308 HydrophobicContact CE-CB 3.84Å; M130-A308 HydrophobicContact SD-CB 4.13Å; I133-A308 HydrophobicContact CD1-CB 3.76Å; P301-A308 HydrophobicContact CB-CB 4.24Å; T304-A308 PolarHBondContact O-N 3.21Å; P305-A308 PolarHBondContact O-N 2.81Å; A308-I310 PolarHBondContact O-N 3.28Å; A308-A311 PolarHBondContact O-N 3.22Å; A308-L312 WeakPolarHBondContact O-CG 3.43Å; A308-L312 PolarHBondContact O-N 3.29Å
309T95.7Very high93.1Very high0 Ų039 Ų390%022%0.217CC..Hα-helixtrans-55.5-51.4175.5-700000111.3R15 V16 T19 S43 F45 P305 A311 L312 A313R15-T309 VanDerWaalsContact CA-OG1 3.3Å; R15-T309 WeakPolarHBondContact CA-OG1 3.44Å; R15-T309 WeakPolarHBondContact CB-OG1 3.39Å; V16-T309 HydrophobicContact CG1-CG2 3.57Å; V16-T309 PolarHBondContact N-OG1 3.23Å; V16-T309 VanDerWaalsContact N-OG1 3.17Å; V16-T309 WeakPolarHBondContact O-CG2 3.16Å; T19-T309 HydrophobicContact CG2-CG2 3.88Å; S43-T309 PolarHBondContact OG-OG1 3.3Å; F45-T309 HydrophobicContact CD2-CG2 4.38Å; F45-T309 HydrophobicContact CE2-CG2 3.7Å; P305-T309 VanDerWaalsContact O-CB 3.25Å; P305-T309 WeakPolarHBondContact O-CB 3.38Å; P305-T309 PolarHBondContact O-N 3.46Å; P305-T309 PolarHBondContact O-OG1 2.79Å; T309-A311 VanDerWaalsContact C-N 3.26Å; T309-A311 PolarHBondContact O-N 3.4Å; T309-L312 PolarHBondContact O-N 2.95Å; T309-A313 WeakPolarHBondContact O-CB 3.48Å; T309-A313 PolarHBondContact O-N 3.15Å
310I96.4Very high93.7Very high79 Ų7937.8 Ų37.841%0.40521%0.211SC..Hα-helixtrans-58.4-41.8-179.5-69.8167000110.9T19 F45 R306 A308 K314T19-I310 HydrophobicContact CG2-CG1 4.25Å; F45-I310 HydrophobicContact CZ-CD1 4.28Å; F45-I310 HydrophobicContact CZ-CG1 3.91Å; R306-I310 HydrophobicContact CG-CD1 4.03Å; R306-I310 VanDerWaalsContact O-CG1 3.28Å; R306-I310 WeakPolarHBondContact O-CG1 3.49Å; R306-I310 PolarHBondContact O-N 3.44Å; A308-I310 PolarHBondContact O-N 3.28Å; I310-K314 WeakPolarHBondContact O-CB 3.33Å; I310-K314 PolarHBondContact O-N 2.85Å; I310-K314 VanDerWaalsContact O-N 3.08Å
311A93Very high94Very high28 Ų2842.2 Ų42.223%0.23123%0.23CC..Hα-helixtrans-70.7-42.3-178.100000113P129 M130 T307 A308 T309 G315P129-A311 HydrophobicContact CB-CB 3.49Å; P129-A311 VanDerWaalsContact CB-CB 3.49Å; P129-A311 HydrophobicContact CG-CB 4.2Å; M130-A311 HydrophobicContact CE-CB 4.48Å; T307-A311 WeakPolarHBondContact O-CB 3.27Å; T307-A311 PolarHBondContact O-N 3.36Å; T307-A311 VanDerWaalsContact O-N 3.14Å; A308-A311 PolarHBondContact O-N 3.22Å; T309-A311 VanDerWaalsContact C-N 3.26Å; T309-A311 PolarHBondContact O-N 3.4Å; A311-G315 PolarHBondContact O-N 2.73Å
312L91.4Very high94.3Very high7 Ų743.6 Ų43.64%0.03724%0.235CC..Hα-helixtrans-63.5-50.5175-70.3178000111.3V72 F92 M130 A308 T309 K314 G315 N316V72-L312 HydrophobicContact CG1-CD1 4.27Å; F92-L312 HydrophobicContact CD2-CD2 4.26Å; F92-L312 HydrophobicContact CE1-CD2 3.93Å; F92-L312 HydrophobicContact CE2-CD2 3.5Å; F92-L312 VanDerWaalsContact CE2-CD2 3.5Å; F92-L312 HydrophobicContact CZ-CD2 3.3Å; M130-L312 HydrophobicContact CE-CD1 4.12Å; M130-L312 HydrophobicContact CE-CD2 3.7Å; M130-L312 HydrophobicContact CE-CG 3.55Å; M130-L312 HydrophobicContact CG-CD2 3.83Å; M130-L312 HydrophobicContact SD-CD1 3.95Å; M130-L312 HydrophobicContact SD-CD2 3.94Å; M130-L312 HydrophobicContact SD-CG 3.97Å; A308-L312 WeakPolarHBondContact O-CG 3.43Å; A308-L312 PolarHBondContact O-N 3.29Å; T309-L312 PolarHBondContact O-N 2.95Å; L312-K314 VanDerWaalsContact C-N 3.27Å; L312-K314 PolarHBondContact O-N 3.19Å; L312-G315 PolarHBondContact O-N 2.95Å; L312-N316 PolarHBondContact O-N 2.95Å; L312-N316 PolarHBondContact O-ND2 3.03Å; L312-N316 PolarHBondContact O-OD1 3.18Å
313A93.2Very high94.7Very high1 Ų143.4 Ų43.41%0.00823%0.234CC..Hα-helixtrans-53.5-43.8178.100000112T19 N22 T309 G315 N316 I317T19-A313 HydrophobicContact CG2-CB 3.66Å; N22-A313 VanDerWaalsContact OD1-CA 3.24Å; N22-A313 WeakPolarHBondContact OD1-CA 3.37Å; N22-A313 WeakPolarHBondContact OD1-CB 3.24Å; N22-A313 PolarHBondContact OD1-O 2.81Å; T309-A313 WeakPolarHBondContact O-CB 3.48Å; T309-A313 PolarHBondContact O-N 3.15Å; A313-G315 PolarHBondContact O-N 3.41Å; A313-N316 PolarHBondContact O-N 3.37Å; A313-I317 WeakPolarHBondContact O-CB 3.16Å; A313-I317 PolarHBondContact O-N 2.82Å
314K93Very high94.9Very high172 Ų17242 Ų4275%0.74822%0.221SC*.Hα-helixtrans-64-38.1178.1-175.6177.2178-179.10112.9I310 L312I310-K314 WeakPolarHBondContact O-CB 3.33Å; I310-K314 PolarHBondContact O-N 2.85Å; I310-K314 VanDerWaalsContact O-N 3.08Å; L312-K314 VanDerWaalsContact C-N 3.27Å; L312-K314 PolarHBondContact O-N 3.19Å
315G89.6Confident95Very high26 Ų2644.1 Ų44.127%0.26823%0.234SC..Hα-helixtrans-74.6-37.6178.500000113.2L126 A311 L312 A313L126-G315 VanDerWaalsContact CD2-C 3.46Å; L126-G315 WeakPolarHBondContact CD2-O 3.5Å; A311-G315 PolarHBondContact O-N 2.73Å; L312-G315 PolarHBondContact O-N 2.95Å; A313-G315 PolarHBondContact O-N 3.41Å
316N94.1Very high94.9Very high4 Ų447.4 Ų47.42%0.02125%0.245CC..Hα-helixtrans-79.4-27.5-171.8-62.6-10.4000113.8W90 L312 A313 S318 F319 L320W90-N316 HydrophobicContact CZ2-CB 3.96Å; W90-N316 PolarHBondContact NE1-ND2 2.94Å; L312-N316 PolarHBondContact O-N 2.95Å; L312-N316 PolarHBondContact O-ND2 3.03Å; L312-N316 PolarHBondContact O-OD1 3.18Å; A313-N316 PolarHBondContact O-N 3.37Å; N316-S318 VanDerWaalsContact C-N 3.32Å; N316-S318 PolarHBondContact O-N 3.01Å; N316-F319 PolarHBondContact O-N 3.06Å; N316-L320 HydrophobicContact CB-CD1 3.79Å; N316-L320 HydrophobicContact CB-CG 4.43Å; N316-L320 WeakPolarHBondContact O-CG 3.48Å; N316-L320 PolarHBondContact O-N 3.49Å; N316-L320 VanDerWaalsContact O-N 3.08Å
317I96.5Very high94.6Very high25 Ų2541.6 Ų41.613%0.12823%0.232CC..Hα-helixtrans-61.9-32.4-164.2-170.455.3000114.6N22 I25 L26 A313 K321N22-I317 HydrophobicContact CB-CD1 3.83Å; N22-I317 HydrophobicContact CB-CG1 4.48Å; I25-I317 HydrophobicContact CB-CD1 4.24Å; I25-I317 HydrophobicContact CB-CG1 4.29Å; I25-I317 HydrophobicContact CD1-CG1 3.96Å; I25-I317 HydrophobicContact CG2-CD1 4.03Å; I25-I317 HydrophobicContact CG2-CG1 3.91Å; L26-I317 HydrophobicContact CD1-CD1 4.18Å; L26-I317 HydrophobicContact CD2-CD1 4.21Å; L26-I317 HydrophobicContact CG-CD1 3.91Å; A313-I317 WeakPolarHBondContact O-CB 3.16Å; A313-I317 PolarHBondContact O-N 2.82Å; I317-K321 VanDerWaalsContact O-CB 3.24Å; I317-K321 WeakPolarHBondContact O-CB 3.24Å; I317-K321 PolarHBondContact O-N 2.77Å
318S95.2Very high94.4Very high70 Ų7038.4 Ų38.449%0.4921%0.212SC..Hα-helixtrans-63.6-47.2177.851.10000111.4N316 K321 E322N316-S318 VanDerWaalsContact C-N 3.32Å; N316-S318 PolarHBondContact O-N 3.01Å; S318-K321 PolarHBondContact O-N 2.8Å; S318-E322 WeakPolarHBondContact O-CB 3.45Å; S318-E322 PolarHBondContact O-N 2.89Å
319F96.4Very high94Very high10 Ų1041.5 Ų41.54%0.04423%0.228CC..Hα-helixtrans-67.3-43.9179.5-61.2-67.9000112W90 I118 I120 L126 N316 K321 E322 V323 D335 L338W90-F319 HydrophobicContact CH2-CB 3.25Å; W90-F319 AromaticContact CH2-CD2 3.98Å; W90-F319 HydrophobicContact CH2-CD2 3.98Å; W90-F319 AromaticContact CH2-CG 3.81Å; W90-F319 HydrophobicContact CH2-CG 3.81Å; W90-F319 HydrophobicContact CZ2-CB 4.18Å; W90-F319 HydrophobicContact CZ2-CD2 4.5Å; W90-F319 HydrophobicContact CZ3-CB 3.68Å; I118-F319 HydrophobicContact CD1-CD2 4.24Å; I118-F319 HydrophobicContact CD1-CE2 4.43Å; I118-F319 HydrophobicContact CD1-CG 4.33Å; I118-F319 HydrophobicContact CG2-CE1 4.2Å; I118-F319 HydrophobicContact CG2-CE2 3.94Å; I118-F319 HydrophobicContact CG2-CZ 3.63Å; I120-F319 HydrophobicContact CD1-CE2 4.5Å; I120-F319 HydrophobicContact CD1-CZ 4.06Å; I120-F319 HydrophobicContact CG1-CZ 4.42Å; L126-F319 HydrophobicContact CD1-CD2 4.24Å; L126-F319 HydrophobicContact CD1-CE2 4.08Å; L126-F319 HydrophobicContact CD2-CE2 4.31Å; N316-F319 PolarHBondContact O-N 3.06Å; F319-K321 VanDerWaalsContact C-N 3.3Å; F319-K321 PolarHBondContact O-N 3.47Å; F319-E322 WeakPolarHBondContact O-CB 3.36Å; F319-E322 PolarHBondContact O-N 2.94Å; F319-V323 WeakPolarHBondContact O-CG2 3.35Å; F319-V323 PolarHBondContact O-N 3.17Å; F319-D335 VanDerWaalsContact CE1-OD2 3.26Å; F319-D335 WeakPolarHBondContact CE1-OD2 3.46Å; F319-L338 HydrophobicContact CB-CD1 4.2Å; F319-L338 HydrophobicContact CD1-CB 4.08Å; F319-L338 HydrophobicContact CD1-CD1 4.19Å; F319-L338 HydrophobicContact CE1-CB 4.45Å; F319-L338 HydrophobicContact CG-CD1 4.5Å
320L97.6Very high93.6Very high0 Ų046 Ų460%025%0.253CS..Hα-helixtrans-60.6-41.8176.9-69.8169.9000111.2M18 L68 V70 W90 N316 S324M18-L320 HydrophobicContact CE-CD1 3.72Å; L68-L320 HydrophobicContact CD2-CD2 4.07Å; V70-L320 HydrophobicContact CG1-CD1 4.11Å; V70-L320 HydrophobicContact CG1-CD2 4.49Å; V70-L320 HydrophobicContact CG2-CD1 4.47Å; V70-L320 HydrophobicContact CG2-CD2 3.73Å; W90-L320 HydrophobicContact CB-CD2 4.01Å; W90-L320 HydrophobicContact CD2-CD2 3.49Å; W90-L320 VanDerWaalsContact CD2-CD2 3.49Å; W90-L320 HydrophobicContact CD2-CG 4.14Å; W90-L320 HydrophobicContact CE3-CD2 3.77Å; W90-L320 HydrophobicContact CE3-CG 4.44Å; W90-L320 HydrophobicContact CG-CD2 3.58Å; W90-L320 HydrophobicContact CG-CG 4.5Å; W90-L320 HydrophobicContact CZ2-CG 4.49Å; W90-L320 HydrophobicContact CZ3-CD2 4.48Å; N316-L320 HydrophobicContact CB-CD1 3.79Å; N316-L320 HydrophobicContact CB-CG 4.43Å; N316-L320 WeakPolarHBondContact O-CG 3.48Å; N316-L320 PolarHBondContact O-N 3.49Å; N316-L320 VanDerWaalsContact O-N 3.08Å; L320-S324 WeakPolarHBondContact O-CB 3.26Å; L320-S324 PolarHBondContact O-N 3.4Å; L320-S324 PolarHBondContact O-OG 2.96Å
321K97.3Very high93.4Very high95 Ų9542.3 Ų42.341%0.41323%0.233SC..Hα-helixtrans-64.1-44174.9-175.9176.5179.8175.30111.3I25 L26 A29 I317 S318 F319 S324 V325I25-K321 HydrophobicContact CG2-CD 4.12Å; L26-K321 HydrophobicContact CD2-CB 4.07Å; A29-K321 HydrophobicContact CB-CG 4.43Å; I317-K321 VanDerWaalsContact O-CB 3.24Å; I317-K321 WeakPolarHBondContact O-CB 3.24Å; I317-K321 PolarHBondContact O-N 2.77Å; S318-K321 PolarHBondContact O-N 2.8Å; F319-K321 VanDerWaalsContact C-N 3.3Å; F319-K321 PolarHBondContact O-N 3.47Å; K321-S324 PolarHBondContact O-N 3.2Å; K321-S324 PolarHBondContact O-OG 3.41Å; K321-V325 HydrophobicContact CG-CG2 4.29Å; K321-V325 WeakPolarHBondContact O-CG2 3.32Å; K321-V325 PolarHBondContact O-N 3.2Å
322E95.6Very high93Very high41 Ų4141.6 Ų41.619%0.19223%0.226CC..Hα-helixtrans-60.3-50.1179.8-175.6160.3-168.100112.6S318 F319 S324 V325 K326 A331S318-E322 WeakPolarHBondContact O-CB 3.45Å; S318-E322 PolarHBondContact O-N 2.89Å; F319-E322 WeakPolarHBondContact O-CB 3.36Å; F319-E322 PolarHBondContact O-N 2.94Å; E322-S324 VanDerWaalsContact C-N 3.28Å; E322-S324 PolarHBondContact O-N 2.92Å; E322-V325 PolarHBondContact O-N 3.09Å; E322-K326 HydrophobicContact CG-CD 3.86Å; E322-K326 WeakPolarHBondContact O-CB 3.31Å; E322-K326 PolarHBondContact O-N 2.84Å; E322-K326 IonicContact OE1-NZ 3.27Å; E322-K326 PolarHBondContact OE1-NZ 3.49Å; E322-A331 HydrophobicContact CG-CB 4.03Å
323V96.4Very high92.7Very high0 Ų049.1 Ų49.10%026%0.258CS..Hα-helixtrans-56.7-43.5173.5173.10000110.8M1 L68 I88 L113 F319 V325 G327 A331 L338M1-V323 HydrophobicContact CE-CG1 4.5Å; L68-V323 HydrophobicContact CD2-CG1 4.38Å; I88-V323 HydrophobicContact CD1-CG1 3.91Å; L113-V323 HydrophobicContact CD1-CG2 4.12Å; F319-V323 WeakPolarHBondContact O-CG2 3.35Å; F319-V323 PolarHBondContact O-N 3.17Å; V323-V325 VanDerWaalsContact C-N 3.35Å; V323-V325 PolarHBondContact O-N 2.76Å; V323-G327 CarbonylContact O-C 3.33Å; V323-G327 WeakPolarHBondContact O-CA 3.45Å; V323-G327 PolarHBondContact O-N 2.8Å; V323-A331 HydrophobicContact CG2-CB 4.13Å; V323-L338 HydrophobicContact CG2-CD1 4.33Å; V323-L338 HydrophobicContact CG2-CD2 3.66Å
324S96.9Very high92.4Very high14 Ų1452.4 Ų52.410%0.09828%0.281CS..Hα-helixtrans-68.2-30.3-177.678.90000114.4N31 L320 K321 E322N31-S324 WeakPolarHBondContact ND2-CB 3.36Å; N31-S324 PolarHBondContact ND2-OG 3.11Å; L320-S324 WeakPolarHBondContact O-CB 3.26Å; L320-S324 PolarHBondContact O-N 3.4Å; L320-S324 PolarHBondContact O-OG 2.96Å; K321-S324 PolarHBondContact O-N 3.2Å; K321-S324 PolarHBondContact O-OG 3.41Å; E322-S324 VanDerWaalsContact C-N 3.28Å; E322-S324 PolarHBondContact O-N 2.92Å
325V95.1Very high92.3Very high93 Ų9345.6 Ų45.656%0.56425%0.253SS*.Hα-helixtrans-91.8-42.4-175.5171.10000111.7A29 K321 E322 V323A29-V325 HydrophobicContact CB-CG2 4.22Å; K321-V325 HydrophobicContact CG-CG2 4.29Å; K321-V325 WeakPolarHBondContact O-CG2 3.32Å; K321-V325 PolarHBondContact O-N 3.2Å; E322-V325 PolarHBondContact O-N 3.09Å; V323-V325 VanDerWaalsContact C-N 3.35Å; V323-V325 PolarHBondContact O-N 2.76Å
326K92.2Very high92.1Very high93 Ų9352.5 Ų52.540%0.40428%0.278SS..Hα-helixtrans-88.4-21.7-177.7-63.6-178.1179.2174.30112.8E322 D330 A331 S334E322-K326 HydrophobicContact CG-CD 3.86Å; E322-K326 WeakPolarHBondContact O-CB 3.31Å; E322-K326 PolarHBondContact O-N 2.84Å; E322-K326 IonicContact OE1-NZ 3.27Å; E322-K326 PolarHBondContact OE1-NZ 3.49Å; K326-D330 HydrophobicContact CB-CB 4.15Å; K326-A331 HydrophobicContact CB-CB 4.3Å; K326-S334 PolarHBondContact NZ-OG 2.78Å
327G91.9Very high91.9Very high28 Ų2853.7 Ų53.729%0.28929%0.286SS..  trans81.2161.2-160.400000111.2V323 A331V323-G327 CarbonylContact O-C 3.33Å; V323-G327 WeakPolarHBondContact O-CA 3.45Å; V323-G327 PolarHBondContact O-N 2.8Å; G327-A331 WeakPolarHBondContact O-CB 3.44Å; G327-A331 PolarHBondContact O-N 3.16Å
328L90.2Very high91.7Very high20 Ų2052.5 Ų52.511%0.10528%0.28CS..Hα-helixtrans-57.5-54.8-173.6176.367000112.6I88 T111 L113 D330 A331 L332 Y345I88-L328 HydrophobicContact CD1-CB 3.84Å; I88-L328 HydrophobicContact CD1-CD1 4.16Å; I88-L328 HydrophobicContact CD1-CD2 4.29Å; I88-L328 HydrophobicContact CD1-CG 4.31Å; I88-L328 HydrophobicContact CG1-CD2 4.21Å; T111-L328 HydrophobicContact CG2-CD1 4.07Å; T111-L328 HydrophobicContact CG2-CD2 3.68Å; T111-L328 HydrophobicContact CG2-CG 4.5Å; L113-L328 HydrophobicContact CD1-CD1 4.15Å; L328-D330 PolarHBondContact O-N 3.32Å; L328-A331 PolarHBondContact O-N 3.16Å; L328-L332 HydrophobicContact CD1-CD1 3.71Å; L328-L332 HydrophobicContact CD1-CG 4.04Å; L328-L332 HydrophobicContact CG-CD1 3.8Å; L328-L332 HydrophobicContact CG-CG 4.42Å; L328-L332 WeakPolarHBondContact O-CB 3.3Å; L328-L332 VanDerWaalsContact O-CG 3.31Å; L328-L332 WeakPolarHBondContact O-CG 3.42Å; L328-L332 PolarHBondContact O-N 3.38Å; L328-Y345 HydrophobicContact CD2-CD2 4.29Å; L328-Y345 HydrophobicContact CD2-CE2 3.86Å; L328-Y345 HydrophobicContact CG-CE2 4.44Å
329D85.5Confident91.4Very high66 Ų6653.2 Ų53.235%0.35328%0.278SS..Hα-helixtrans-66.9-42.7-170.1-61.4-22.8000112.2A331 L332 K333 Y345D329-A331 VanDerWaalsContact C-N 3.35Å; D329-L332 PolarHBondContact O-N 2.89Å; D329-K333 WeakPolarHBondContact O-CB 3.38Å; D329-K333 WeakPolarHBondContact O-CD 3.33Å; D329-K333 WeakPolarHBondContact O-CG 3.29Å; D329-K333 PolarHBondContact O-N 3.47Å; D329-Y345 VanDerWaalsContact CG-OH 3.3Å; D329-Y345 WeakPolarHBondContact OD1-CE2 3.35Å; D329-Y345 PolarHBondContact OD1-OH 3.47Å
330D87.9Confident90.9Very high95 Ų9555 Ų5551%0.50829%0.292SS..Hα-helixtrans-71.3-32.3178.2-74.2-10.9000111.6K326 L328 S334K326-D330 HydrophobicContact CB-CB 4.15Å; L328-D330 PolarHBondContact O-N 3.32Å; D330-S334 WeakPolarHBondContact O-CB 3.4Å; D330-S334 PolarHBondContact O-N 3.39Å; D330-S334 VanDerWaalsContact O-N 3.17Å; D330-S334 PolarHBondContact O-OG 2.86Å
331A91.6Very high90.5Very high0 Ų055 Ų550%029%0.292CS..Hα-helixtrans-64-50.4170.700000111.1E322 V323 K326 G327 L328 D329 K333 S334 D335 L338E322-A331 HydrophobicContact CG-CB 4.03Å; V323-A331 HydrophobicContact CG2-CB 4.13Å; K326-A331 HydrophobicContact CB-CB 4.3Å; G327-A331 WeakPolarHBondContact O-CB 3.44Å; G327-A331 PolarHBondContact O-N 3.16Å; L328-A331 PolarHBondContact O-N 3.16Å; D329-A331 VanDerWaalsContact C-N 3.35Å; A331-K333 VanDerWaalsContact C-N 3.33Å; A331-K333 PolarHBondContact O-N 2.97Å; A331-S334 PolarHBondContact O-N 2.83Å; A331-S334 VanDerWaalsContact O-N 3.12Å; A331-S334 PolarHBondContact O-OG 3.29Å; A331-D335 PolarHBondContact O-N 2.89Å; A331-L338 HydrophobicContact CB-CD2 3.64Å
332L86.5Confident90.1Very high13 Ų1353 Ų537%0.06829%0.285CS..Hα-helixtrans-60.3-39.6178.2-72.1173000112.7L113 L328 D329 S334 L338 L339 L342 Y345L113-L332 HydrophobicContact CD2-CD2 4.16Å; L328-L332 HydrophobicContact CD1-CD1 3.71Å; L328-L332 HydrophobicContact CD1-CG 4.04Å; L328-L332 HydrophobicContact CG-CD1 3.8Å; L328-L332 HydrophobicContact CG-CG 4.42Å; L328-L332 WeakPolarHBondContact O-CB 3.3Å; L328-L332 VanDerWaalsContact O-CG 3.31Å; L328-L332 WeakPolarHBondContact O-CG 3.42Å; L328-L332 PolarHBondContact O-N 3.38Å; D329-L332 PolarHBondContact O-N 2.89Å; L332-S334 VanDerWaalsContact C-N 3.29Å; L332-S334 PolarHBondContact O-N 2.85Å; L332-L338 HydrophobicContact CD2-CD2 4.44Å; L332-L338 HydrophobicContact CD2-CG 4.07Å; L332-L339 HydrophobicContact CB-CD1 4.38Å; L332-L339 HydrophobicContact CD2-CB 4.42Å; L332-L339 HydrophobicContact CD2-CD1 4.07Å; L332-L342 HydrophobicContact CD1-CD1 4.26Å; L332-L342 HydrophobicContact CD1-CD2 4.04Å; L332-L342 HydrophobicContact CD2-CB 4.33Å; L332-L342 HydrophobicContact CD2-CD2 4.41Å; L332-Y345 HydrophobicContact CD1-CD2 4.15Å; L332-Y345 HydrophobicContact CD1-CE2 3.94Å
333K84.3Confident89.5Confident166 Ų16653.1 Ų53.172%0.72229%0.291SS*.Hα-helixtrans-68.3-27.1177.1-74.4168.4-170.5165.20113.3D329 A331D329-K333 WeakPolarHBondContact O-CB 3.38Å; D329-K333 WeakPolarHBondContact O-CD 3.33Å; D329-K333 WeakPolarHBondContact O-CG 3.29Å; D329-K333 PolarHBondContact O-N 3.47Å; A331-K333 VanDerWaalsContact C-N 3.33Å; A331-K333 PolarHBondContact O-N 2.97Å
334S87.8Confident89.1Confident69 Ų6953.6 Ų53.648%0.48329%0.294SS..Hα-helixtrans-103.1-13.5-17359.90000115K326 D330 A331 L332K326-S334 PolarHBondContact NZ-OG 2.78Å; D330-S334 WeakPolarHBondContact O-CB 3.4Å; D330-S334 PolarHBondContact O-N 3.39Å; D330-S334 VanDerWaalsContact O-N 3.17Å; D330-S334 PolarHBondContact O-OG 2.86Å; A331-S334 PolarHBondContact O-N 2.83Å; A331-S334 VanDerWaalsContact O-N 3.12Å; A331-S334 PolarHBondContact O-OG 3.29Å; L332-S334 VanDerWaalsContact C-N 3.29Å; L332-S334 PolarHBondContact O-N 2.85Å
335D89.4Confident88.5Confident29 Ų2957 Ų5716%0.15531%0.305CS..  trans-130104.6176.1-175.4-2.1000111.7F319 A331 S337 L338 L339F319-D335 VanDerWaalsContact CE1-OD2 3.26Å; F319-D335 WeakPolarHBondContact CE1-OD2 3.46Å; A331-D335 PolarHBondContact O-N 2.89Å; D335-S337 PolarHBondContact O-N 2.79Å; D335-S337 WeakPolarHBondContact OD1-CA 3.49Å; D335-S337 WeakPolarHBondContact OD1-CB 3.19Å; D335-S337 PolarHBondContact OD1-N 3.23Å; D335-S337 PolarHBondContact OD1-OG 3.4Å; D335-L338 HydrophobicContact CB-CB 3.91Å; D335-L338 PolarHBondContact O-N 2.92Å; D335-L338 PolarHBondContact OD1-N 3.21Å; D335-L339 PolarHBondContact O-N 3.35Å
336E86Confident87.7Confident172 Ų17254.6 Ų54.680%0.80429%0.29SS*.Hα-helixtrans-60.7-29.7175.9-66.4-176.5170.400112.7L339 S340E336-L339 PolarHBondContact O-N 2.96Å; E336-S340 PolarHBondContact O-N 2.63Å
337S90.5Very high86.7Confident28 Ų2851 Ų5120%0.19628%0.279CS..Hα-helixtrans-68.7-45.3177.5-44.10000109.8D335 L339 S340D335-S337 PolarHBondContact O-N 2.79Å; D335-S337 WeakPolarHBondContact OD1-CA 3.49Å; D335-S337 WeakPolarHBondContact OD1-CB 3.19Å; D335-S337 PolarHBondContact OD1-N 3.23Å; D335-S337 PolarHBondContact OD1-OG 3.4Å; S337-L339 VanDerWaalsContact C-N 3.34Å; S337-S340 PolarHBondContact O-N 3.04Å; S337-S340 PolarHBondContact O-OG 3.44Å
338L91.9Very high85.8Confident0 Ų055.6 Ų55.60%029%0.291CS..Hα-helixtrans-61.4-44.2174.4179.860.9000111.4W90 L113 I118 F319 V323 A331 L332 D335 S340 G341W90-L338 HydrophobicContact CH2-CD1 4.34Å; W90-L338 HydrophobicContact CZ3-CD1 3.72Å; L113-L338 HydrophobicContact CD1-CD1 4.21Å; L113-L338 HydrophobicContact CD2-CD1 4.26Å; I118-L338 HydrophobicContact CD1-CD1 4.38Å; F319-L338 HydrophobicContact CB-CD1 4.2Å; F319-L338 HydrophobicContact CD1-CB 4.08Å; F319-L338 HydrophobicContact CD1-CD1 4.19Å; F319-L338 HydrophobicContact CE1-CB 4.45Å; F319-L338 HydrophobicContact CG-CD1 4.5Å; V323-L338 HydrophobicContact CG2-CD1 4.33Å; V323-L338 HydrophobicContact CG2-CD2 3.66Å; A331-L338 HydrophobicContact CB-CD2 3.64Å; L332-L338 HydrophobicContact CD2-CD2 4.44Å; L332-L338 HydrophobicContact CD2-CG 4.07Å; D335-L338 HydrophobicContact CB-CB 3.91Å; D335-L338 PolarHBondContact O-N 2.92Å; D335-L338 PolarHBondContact OD1-N 3.21Å; L338-S340 PolarHBondContact O-N 3.25Å; L338-G341 WeakPolarHBondContact O-CA 3.28Å; L338-G341 PolarHBondContact O-N 3.36Å
339L88.4Confident85.4Confident85 Ų8556.8 Ų56.845%0.44530%0.297SS..Hα-helixtrans-57.9-36.4177.6-17861.5000112.1L332 D335 E336 S337 G341 L342L332-L339 HydrophobicContact CB-CD1 4.38Å; L332-L339 HydrophobicContact CD2-CB 4.42Å; L332-L339 HydrophobicContact CD2-CD1 4.07Å; D335-L339 PolarHBondContact O-N 3.35Å; E336-L339 PolarHBondContact O-N 2.96Å; S337-L339 VanDerWaalsContact C-N 3.34Å; L339-G341 PolarHBondContact O-N 2.86Å; L339-L342 HydrophobicContact CD1-CB 4.45Å; L339-L342 HydrophobicContact CD1-CD2 3.97Å; L339-L342 VanDerWaalsContact O-CB 3.24Å; L339-L342 WeakPolarHBondContact O-CB 3.39Å; L339-L342 PolarHBondContact O-N 2.84Å
340S86.1Confident85.3Confident49 Ų4954.2 Ų54.234%0.34328%0.284SS..Hα-helixtrans-63.9-19.8175.775.40000114.1S119 E336 S337 L338S119-S340 PolarHBondContact N-OG 3.14Å; E336-S340 PolarHBondContact O-N 2.63Å; S337-S340 PolarHBondContact O-N 3.04Å; S337-S340 PolarHBondContact O-OG 3.44Å; L338-S340 PolarHBondContact O-N 3.25Å
341G88.6Confident85.3Confident0 Ų049.7 Ų49.70%026%0.26CS..THydrogen-bonded Turntrans-82.1-1317300000114.6S114 L338 L339 S343S114-G341 PolarHBondContact N-O 3.27Å; L338-G341 WeakPolarHBondContact O-CA 3.28Å; L338-G341 PolarHBondContact O-N 3.36Å; L339-G341 PolarHBondContact O-N 2.86Å; G341-S343 PolarHBondContact O-N 3.15Å; G341-S343 PolarHBondContact O-OG 2.9Å
342L89.6Confident85.2Confident51 Ų5151.1 Ų51.127%0.26727%0.269SS..EExtended strand (participates in β ladder)trans-67.4116-176.7-17465.3000111T111 L113 L332 L339 V344 Y345T111-L342 HydrophobicContact CG2-CD1 3.72Å; L113-L342 HydrophobicContact CD2-CB 4.33Å; L113-L342 HydrophobicContact CD2-CD1 3.96Å; L332-L342 HydrophobicContact CD1-CD1 4.26Å; L332-L342 HydrophobicContact CD1-CD2 4.04Å; L332-L342 HydrophobicContact CD2-CB 4.33Å; L332-L342 HydrophobicContact CD2-CD2 4.41Å; L339-L342 HydrophobicContact CD1-CB 4.45Å; L339-L342 HydrophobicContact CD1-CD2 3.97Å; L339-L342 VanDerWaalsContact O-CB 3.24Å; L339-L342 WeakPolarHBondContact O-CB 3.39Å; L339-L342 PolarHBondContact O-N 2.84Å; L342-V344 WeakPolarHBondContact CD1-O 3.39Å; L342-Y345 HydrophobicContact CD1-CD2 4.08Å; L342-Y345 HydrophobicContact CD2-CD2 4.09Å; L342-Y345 HydrophobicContact CD2-CG 4.3Å
343S83.8Confident85.3Confident45 Ų4551.9 Ų51.932%0.31527%0.272SS..EExtended strand (participates in β ladder)trans-112.6-30.4-175.5-57.10000113.3A112 S114 N117 G341A112-S343 PolarHBondContact O-N 2.87Å; S114-S343 VanDerWaalsContact CB-OG 3.23Å; S114-S343 WeakPolarHBondContact CB-OG 3.5Å; S114-S343 WeakPolarHBondContact OG-CB 3.29Å; S114-S343 PolarHBondContact OG-OG 3.18Å; N117-S343 PolarHBondContact ND2-OG 2.88Å; G341-S343 PolarHBondContact O-N 3.15Å; G341-S343 PolarHBondContact O-OG 2.9Å
344V86.5Confident85.5Confident10 Ų1049.9 Ų49.96%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-141.3140.8172.2-174.60000107L95 V102 M105 M106 V110 T111 A112 L342L95-V344 HydrophobicContact CD1-CG2 4.15Å; V102-V344 HydrophobicContact CG1-CG2 4.24Å; M105-V344 HydrophobicContact CB-CG1 4.19Å; M105-V344 HydrophobicContact CB-CG2 4.37Å; M105-V344 HydrophobicContact SD-CG2 4.3Å; M106-V344 HydrophobicContact CG-CG1 3.91Å; V110-V344 VanDerWaalsContact O-CG1 3.27Å; V110-V344 WeakPolarHBondContact O-CG1 3.45Å; T111-V344 CarbonylContact C-O 3.09Å; T111-V344 VanDerWaalsContact CA-O 3.3Å; T111-V344 WeakPolarHBondContact CA-O 3.34Å; T111-V344 WeakPolarHBondContact CG2-O 3.08Å; A112-V344 HydrophobicContact CB-CB 3.82Å; A112-V344 HydrophobicContact CB-CG2 3.97Å; A112-V344 PolarHBondContact N-O 3.28Å; A112-V344 PolarHBondContact O-N 3.31Å; L342-V344 WeakPolarHBondContact CD1-O 3.39Å
345Y85.2Confident85.9Confident84 Ų8448.9 Ų48.933%0.32926%0.255SS..  trans-135.4119.9179.5-176.6-100.7000110.7T111 L328 D329 L332 L342 G347T111-Y345 HydrophobicContact CG2-CD2 4.25Å; L328-Y345 HydrophobicContact CD2-CD2 4.29Å; L328-Y345 HydrophobicContact CD2-CE2 3.86Å; L328-Y345 HydrophobicContact CG-CE2 4.44Å; D329-Y345 VanDerWaalsContact CG-OH 3.3Å; D329-Y345 WeakPolarHBondContact OD1-CE2 3.35Å; D329-Y345 PolarHBondContact OD1-OH 3.47Å; L332-Y345 HydrophobicContact CD1-CD2 4.15Å; L332-Y345 HydrophobicContact CD1-CE2 3.94Å; L342-Y345 HydrophobicContact CD1-CD2 4.08Å; L342-Y345 HydrophobicContact CD2-CD2 4.09Å; L342-Y345 HydrophobicContact CD2-CG 4.3Å; Y345-G347 PolarHBondContact O-N 3.29Å
346N77.8Confident86.3Confident44 Ų4447.5 Ų47.524%0.23525%0.247CC..SBendtrans46.424.5173.2-74.3-7.7000117.1T111 E594T111-N346 PolarHBondContact OG1-N 3.18Å; T111-N346 PolarHBondContact OG1-OD1 2.88Å; N346-E594 PolarHBondContact ND2-OE1 3.05Å
347G70.9Confident86.7Confident17 Ų1743.7 Ų43.718%0.17523%0.229CC..  trans87.8-166.1175.800000115.1M106 Y345M106-G347 CarbonylContact O-C 3.54Å; M106-G347 WeakPolarHBondContact O-CA 3.44Å; Y345-G347 PolarHBondContact O-N 3.29Å
348K73.1Confident87Confident125 Ų12547 Ų4754%0.54324%0.242SC..  trans-97.2121172.1-168.3-173.2174.2-169.50108.9M106 T352M106-K348 HydrophobicContact CB-CB 4.28Å; M106-K348 PolarHBondContact O-N 2.95Å; K348-T352 HydrophobicContact CG-CG2 4.44Å
349L82Confident87.3Confident44 Ų4447 Ų4723%0.2324%0.242CC..  trans-60.5147.5166-70.6175000109.8V351 V535 V591 E594 L595L349-V351 PolarHBondContact O-N 2.83Å; L349-V535 HydrophobicContact CD1-CG2 4.2Å; L349-V591 HydrophobicContact CD2-CG2 4.4Å; L349-E594 HydrophobicContact CD2-CB 4.11Å; L349-E594 HydrophobicContact CD2-CG 4.21Å; L349-L595 HydrophobicContact CD1-CD1 3.63Å; L349-L595 HydrophobicContact CD1-CD2 4.35Å; L349-L595 HydrophobicContact CD1-CG 4.07Å
350P82.9Confident87.8Confident12 Ų1246.3 Ų46.38%0.07824%0.235CC..SBendtrans-54.4-23.1178.4-29.235000114.9E498 M501 L587 E590 V591P350-E498 HydrophobicContact CB-CG 4.48Å; P350-E498 VanDerWaalsContact O-CD 3.31Å; P350-E498 VanDerWaalsContact O-CG 3.23Å; P350-E498 WeakPolarHBondContact O-CG 3.41Å; P350-M501 HydrophobicContact CB-CE 4.31Å; P350-L587 HydrophobicContact CB-CB 3.95Å; P350-L587 HydrophobicContact CB-CD2 4.08Å; P350-L587 HydrophobicContact CB-CG 4.44Å; P350-L587 HydrophobicContact CG-CB 4.07Å; P350-L587 HydrophobicContact CG-CD2 4.1Å; P350-E590 HydrophobicContact CG-CB 4.41Å; P350-E590 HydrophobicContact CG-CG 4.35Å; P350-V591 HydrophobicContact CG-CG2 4.27Å
351V89.1Confident88.3Confident1 Ų148.6 Ų48.61%0.00624%0.244CC..SBendtrans-134.7138.4176.1174.50000109.2L349 D355 I356 E498 M501 A502 V535L349-V351 PolarHBondContact O-N 2.83Å; V351-D355 HydrophobicContact CG1-CB 4.12Å; V351-I356 HydrophobicContact CG1-CD1 4.1Å; V351-I356 HydrophobicContact CG1-CG1 3.84Å; V351-E498 HydrophobicContact CG2-CB 4.02Å; V351-E498 VanDerWaalsContact CG2-O 3.32Å; V351-E498 WeakPolarHBondContact CG2-O 3.22Å; V351-M501 HydrophobicContact CG2-CB 3.62Å; V351-M501 HydrophobicContact CG2-CE 3.94Å; V351-M501 HydrophobicContact CG2-SD 4.25Å; V351-A502 HydrophobicContact CG1-CB 3.96Å; V351-V535 WeakPolarHBondContact O-CG1 3.48Å
352T88.3Confident88.7Confident30 Ų3050 Ų5018%0.18425%0.252CS..  trans-109.5170.5179.165.80000112K348 E354 D355 I356K348-T352 HydrophobicContact CG-CG2 4.44Å; T352-E354 VanDerWaalsContact C-N 3.27Å; T352-E354 WeakPolarHBondContact CB-OE2 3.34Å; T352-E354 PolarHBondContact O-N 3.23Å; T352-E354 PolarHBondContact OG1-OE2 3.38Å; T352-D355 WeakPolarHBondContact CB-OD2 3.43Å; T352-D355 PolarHBondContact N-OD2 3.26Å; T352-D355 PolarHBondContact O-N 3.35Å; T352-D355 PolarHBondContact OG1-N 2.76Å; T352-D355 PolarHBondContact OG1-OD2 3.23Å; T352-I356 WeakPolarHBondContact O-CG1 3.23Å; T352-I356 PolarHBondContact O-N 3.48Å
353I89.2Confident89.1Confident29 Ų2947.7 Ų47.715%0.14924%0.24CC..Hα-helixtrans-67.1-31.6175.3-17161000111.4I356 H357 L509 T539I353-I356 PolarHBondContact O-N 3.43Å; I353-H357 PolarHBondContact O-CD2 3.3Å; I353-H357 VanDerWaalsContact O-CD2 3.25Å; I353-H357 PolarHBondContact O-N 3.48Å; I353-L509 HydrophobicContact CD1-CD2 4.06Å; I353-T539 HydrophobicContact CB-CG2 3.87Å; I353-T539 HydrophobicContact CG1-CG2 4.1Å; I353-T539 HydrophobicContact CG2-CG2 3.89Å
354E88.9Confident89.6Confident124 Ų12452 Ų5258%0.57925%0.253SS*.Hα-helixtrans-62.4-46.3174.5-68.370.3-154.400111.2T352 I356 H357 E358T352-E354 VanDerWaalsContact C-N 3.27Å; T352-E354 WeakPolarHBondContact CB-OE2 3.34Å; T352-E354 PolarHBondContact O-N 3.23Å; T352-E354 PolarHBondContact OG1-OE2 3.38Å; E354-I356 PolarHBondContact O-N 2.92Å; E354-H357 PolarHBondContact O-N 2.64Å; E354-H357 VanDerWaalsContact O-N 3.15Å; E354-E358 PolarHBondContact O-N 3.4Å
355D95.1Very high90Very high48 Ų4857 Ų5726%0.25728%0.276SS..Hα-helixtrans-59.7-37.8176.7-56.8-45.7000111V351 T352 A359 A502V351-D355 HydrophobicContact CG1-CB 4.12Å; T352-D355 WeakPolarHBondContact CB-OD2 3.43Å; T352-D355 PolarHBondContact N-OD2 3.26Å; T352-D355 PolarHBondContact O-N 3.35Å; T352-D355 PolarHBondContact OG1-N 2.76Å; T352-D355 PolarHBondContact OG1-OD2 3.23Å; D355-A359 VanDerWaalsContact O-CB 3.28Å; D355-A359 WeakPolarHBondContact O-CB 3.41Å; D355-A359 PolarHBondContact O-N 3.45Å; D355-A502 HydrophobicContact CB-CB 4.05Å
356I97.4Very high90.5Very high0 Ų057.5 Ų57.50%028%0.278CS..Hα-helixtrans-72.4-37.4178.2-62.9169.7000111.3V351 T352 I353 E354 A359 K360 A502 G505 L509 G532 V535 A536V351-I356 HydrophobicContact CG1-CD1 4.1Å; V351-I356 HydrophobicContact CG1-CG1 3.84Å; T352-I356 WeakPolarHBondContact O-CG1 3.23Å; T352-I356 PolarHBondContact O-N 3.48Å; I353-I356 PolarHBondContact O-N 3.43Å; E354-I356 PolarHBondContact O-N 2.92Å; I356-A359 PolarHBondContact O-N 3Å; I356-K360 PolarHBondContact O-N 3.38Å; I356-A502 HydrophobicContact CG1-CB 4.32Å; I356-G505 VanDerWaalsContact CG2-C 3.49Å; I356-L509 HydrophobicContact CG2-CD1 3.72Å; I356-L509 HydrophobicContact CG2-CG 3.91Å; I356-G532 WeakPolarHBondContact CD1-O 3.5Å; I356-V535 HydrophobicContact CD1-CB 3.81Å; I356-V535 HydrophobicContact CD1-CG1 3.64Å; I356-A536 HydrophobicContact CD1-CB 3.98Å; I356-A536 HydrophobicContact CG2-CB 4.4Å
357H95.4Very high91.4Very high91 Ų9156 Ų5642%0.42127%0.273SS..Hα-helixtrans-66.1-40.5173.5-82.9-57000112.1I353 E354 K360 N361I353-H357 PolarHBondContact O-CD2 3.3Å; I353-H357 VanDerWaalsContact O-CD2 3.25Å; I353-H357 PolarHBondContact O-N 3.48Å; E354-H357 PolarHBondContact O-N 2.64Å; E354-H357 VanDerWaalsContact O-N 3.15Å; H357-K360 WeakPolarHBondContact O-CB 3.31Å; H357-K360 PolarHBondContact O-N 2.81Å; H357-N361 PolarHBondContact O-N 2.82Å; H357-N361 PolarHBondContact O-ND2 3.49Å
358E96.6Very high92.6Very high99 Ų9961.7 Ų61.746%0.46329%0.289SS..Hα-helixtrans-60.9-48.1170.6-179.3168.7-163.700110.6E354 K360 N361 V362 H410E354-E358 PolarHBondContact O-N 3.4Å; E358-K360 VanDerWaalsContact C-N 3.28Å; E358-K360 PolarHBondContact O-N 2.92Å; E358-N361 WeakPolarHBondContact O-CA 3.17Å; E358-N361 WeakPolarHBondContact O-CB 3.36Å; E358-N361 PolarHBondContact O-N 3.12Å; E358-V362 PolarHBondContact O-N 3.46Å; E358-H410 IonicContact OE1-NE2 2.94Å; E358-H410 PolarHBondContact OE1-NE2 3.37Å
359A98.4Very high93.7Very high0 Ų061.1 Ų61.10%030%0.296CS..Hα-helixtrans-59.3-36.6176.800000112.7D355 I356 N361 V362 V363 N406 A502 T506D355-A359 VanDerWaalsContact O-CB 3.28Å; D355-A359 WeakPolarHBondContact O-CB 3.41Å; D355-A359 PolarHBondContact O-N 3.45Å; I356-A359 PolarHBondContact O-N 3Å; A359-N361 VanDerWaalsContact C-N 3.27Å; A359-N361 PolarHBondContact O-N 3.17Å; A359-V362 PolarHBondContact O-N 3.25Å; A359-V363 VanDerWaalsContact O-CB 3.29Å; A359-V363 WeakPolarHBondContact O-CB 3.34Å; A359-V363 VanDerWaalsContact O-CG2 3.26Å; A359-V363 WeakPolarHBondContact O-CG2 3.25Å; A359-V363 PolarHBondContact O-N 3.41Å; A359-N406 WeakPolarHBondContact CA-OD1 3.45Å; A359-N406 WeakPolarHBondContact CB-ND2 3.48Å; A359-A502 HydrophobicContact CB-CB 3.99Å; A359-T506 HydrophobicContact CB-CG2 3.89Å
360K97.9Very high94.5Very high70 Ų7059.3 Ų59.330%0.30429%0.286SS..Hα-helixtrans-59.7-39.9172.7-176.5176-175.4170.40110.8I356 H357 E358 K364 T506 L509 D513I356-K360 PolarHBondContact O-N 3.38Å; H357-K360 WeakPolarHBondContact O-CB 3.31Å; H357-K360 PolarHBondContact O-N 2.81Å; E358-K360 VanDerWaalsContact C-N 3.28Å; E358-K360 PolarHBondContact O-N 2.92Å; K360-K364 VanDerWaalsContact O-CB 3.25Å; K360-K364 WeakPolarHBondContact O-CB 3.46Å; K360-K364 VanDerWaalsContact O-CG 3.29Å; K360-K364 WeakPolarHBondContact O-CG 3.39Å; K360-K364 PolarHBondContact O-N 3.22Å; K360-T506 HydrophobicContact CB-CG2 4.11Å; K360-L509 HydrophobicContact CB-CD1 4.2Å; K360-L509 HydrophobicContact CD-CB 4.47Å; K360-L509 HydrophobicContact CD-CD1 3.76Å; K360-D513 IonicContact NZ-OD1 2.63Å; K360-D513 IonicContact NZ-OD2 2.77Å; K360-D513 PolarHBondContact NZ-OD2 2.67Å
361N96.8Very high95.2Very high97 Ų9761.4 Ų61.452%0.51930%0.3SS..Hα-helixtrans-69.8-31.2178.1-71.8-42.9000113.6H357 E358 A359 K364H357-N361 PolarHBondContact O-N 2.82Å; H357-N361 PolarHBondContact O-ND2 3.49Å; E358-N361 WeakPolarHBondContact O-CA 3.17Å; E358-N361 WeakPolarHBondContact O-CB 3.36Å; E358-N361 PolarHBondContact O-N 3.12Å; A359-N361 VanDerWaalsContact C-N 3.27Å; A359-N361 PolarHBondContact O-N 3.17Å; N361-K364 WeakPolarHBondContact O-CE 3.41Å; N361-K364 WeakPolarHBondContact O-CG 3.38Å; N361-K364 PolarHBondContact OD1-NZ 2.96Å
362V97.4Very high95.7Very high28 Ų2863 Ų6317%0.1731%0.308CS..Hα-helixtrans-79.7-54.3176.7174.10000111.1E358 A359 K364 Q365 F405 A409E358-V362 PolarHBondContact O-N 3.46Å; A359-V362 PolarHBondContact O-N 3.25Å; V362-K364 VanDerWaalsContact C-N 3.31Å; V362-K364 PolarHBondContact O-N 3.38Å; V362-Q365 VanDerWaalsContact O-CB 3.31Å; V362-Q365 WeakPolarHBondContact O-CB 3.47Å; V362-Q365 PolarHBondContact O-N 2.88Å; V362-F405 HydrophobicContact CG1-CD1 3.94Å; V362-F405 HydrophobicContact CG1-CE1 3.82Å; V362-F405 WeakPolarHBondContact O-CE1 3.21Å; V362-A409 HydrophobicContact CG1-CB 3.41Å; V362-A409 VanDerWaalsContact CG1-CB 3.41Å
363V97.4Very high96.1Very high3 Ų364.9 Ų64.92%0.01832%0.316CS..Hα-helixtrans-62-35.4-175.5173.20000112A359 Q365 Y366 G367 R402 N406A359-V363 VanDerWaalsContact O-CB 3.29Å; A359-V363 WeakPolarHBondContact O-CB 3.34Å; A359-V363 VanDerWaalsContact O-CG2 3.26Å; A359-V363 WeakPolarHBondContact O-CG2 3.25Å; A359-V363 PolarHBondContact O-N 3.41Å; V363-Q365 PolarHBondContact O-N 2.58Å; V363-Y366 PolarHBondContact O-N 2.87Å; V363-G367 WeakPolarHBondContact O-CA 3.3Å; V363-G367 PolarHBondContact O-N 3.05Å; V363-R402 HydrophobicContact CG1-CB 4.01Å; V363-R402 HydrophobicContact CG1-CG 3.95Å; V363-R402 HydrophobicContact CG2-CB 4.26Å; V363-R402 WeakPolarHBondContact CG2-O 3.43Å; V363-N406 HydrophobicContact CG2-CB 4.15Å
364K95.7Very high96.5Very high136 Ų13667.3 Ų67.359%0.59133%0.327SS*.THydrogen-bonded Turntrans-61.1-13.5179.774.1-173.9-176.5-169.20114.4K360 N361 V362 Y366K360-K364 VanDerWaalsContact O-CB 3.25Å; K360-K364 WeakPolarHBondContact O-CB 3.46Å; K360-K364 VanDerWaalsContact O-CG 3.29Å; K360-K364 WeakPolarHBondContact O-CG 3.39Å; K360-K364 PolarHBondContact O-N 3.22Å; N361-K364 WeakPolarHBondContact O-CE 3.41Å; N361-K364 WeakPolarHBondContact O-CG 3.38Å; N361-K364 PolarHBondContact OD1-NZ 2.96Å; V362-K364 VanDerWaalsContact C-N 3.31Å; V362-K364 PolarHBondContact O-N 3.38Å; K364-Y366 VanDerWaalsContact C-N 3.27Å; K364-Y366 PolarHBondContact O-N 2.73Å
365Q95Very high96.8Very high116 Ų11661.7 Ų61.754%0.54230%0.301SS..THydrogen-bonded Turntrans-61.1-37.4177.3-171.9-179.1-11.600112V362 V363 F405V362-Q365 VanDerWaalsContact O-CB 3.31Å; V362-Q365 WeakPolarHBondContact O-CB 3.47Å; V362-Q365 PolarHBondContact O-N 2.88Å; V363-Q365 PolarHBondContact O-N 2.58Å; Q365-F405 HydrophobicContact CB-CE1 4.47Å; Q365-F405 HydrophobicContact CB-CZ 4.49Å
366Y95.6Very high96.8Very high93 Ų9365.6 Ų65.637%0.36532%0.32SS..THydrogen-bonded Turntrans-135.6-27.3178.9-62.9-78.9000113.8V363 K364 L395 F405 L438V363-Y366 PolarHBondContact O-N 2.87Å; K364-Y366 VanDerWaalsContact C-N 3.27Å; K364-Y366 PolarHBondContact O-N 2.73Å; Y366-L395 WeakPolarHBondContact O-CD1 3.38Å; Y366-F405 HydrophobicContact CD2-CD2 4.45Å; Y366-F405 HydrophobicContact CD2-CE1 4.38Å; Y366-F405 AromaticContact CD2-CE2 3.4Å; Y366-F405 HydrophobicContact CD2-CE2 3.4Å; Y366-F405 VanDerWaalsContact CD2-CE2 3.4Å; Y366-F405 AromaticContact CD2-CZ 3.38Å; Y366-F405 HydrophobicContact CD2-CZ 3.38Å; Y366-F405 AromaticContact CE2-CE2 3.95Å; Y366-F405 HydrophobicContact CE2-CE2 3.95Å; Y366-F405 AromaticContact CE2-CZ 3.82Å; Y366-F405 HydrophobicContact CE2-CZ 3.82Å; Y366-F405 HydrophobicContact CG-CE2 4.36Å; Y366-L438 HydrophobicContact CD1-CD1 4.19Å; Y366-L438 HydrophobicContact CD1-CD2 4.07Å; Y366-L438 HydrophobicContact CD2-CD1 4.3Å; Y366-L438 HydrophobicContact CE1-CD2 4.09Å; Y366-L438 HydrophobicContact CE2-CB 4.46Å; Y366-L438 HydrophobicContact CG-CD1 3.93Å
367G95.3Very high96.7Very high13 Ų1368.2 Ų68.213%0.13433%0.331CS..  trans-63.1139.4-179.900000111.6V363V363-G367 WeakPolarHBondContact O-CA 3.3Å; V363-G367 PolarHBondContact O-N 3.05Å
368R96.6Very high96.7Very high137 Ų13764 Ų6452%0.51731%0.312SS..  trans-79.6140.1174.7-63.2174.7178.9164.5-1.4109.7T370 M393 Q394 R402R368-T370 PolarHBondContact O-N 3.27Å; R368-M393 WeakPolarHBondContact CD-O 3.16Å; R368-M393 PolarHBondContact NH1-O 3.48Å; R368-Q394 PolarHBondContact O-NE2 3.42Å; R368-R402 PolarHBondContact O-NH2 2.97Å
369V97.5Very high96.7Very high113 Ų11360.6 Ų60.669%0.68530%0.298SS*.  trans-69.9110.7154.9179.20000106.4E510V369-E510 HydrophobicContact CG1-CG 4.21Å
370T98.2Very high96.5Very high5 Ų564.8 Ų64.83%0.03133%0.333CS..  trans-82.3149.9-17360.30000110.8R368 K389 L390 E391 Q394 E510R368-T370 PolarHBondContact O-N 3.27Å; T370-K389 PolarHBondContact O-NZ 2.65Å; T370-K389 WeakPolarHBondContact OG1-CE 3.39Å; T370-K389 PolarHBondContact OG1-NZ 2.79Å; T370-L390 WeakPolarHBondContact CB-O 3.47Å; T370-E391 WeakPolarHBondContact CB-OE1 3.44Å; T370-E391 WeakPolarHBondContact CG2-OE1 3.31Å; T370-E391 PolarHBondContact OG1-OE1 3.32Å; T370-Q394 HydrophobicContact CG2-CB 3.99Å; T370-E510 PolarHBondContact N-OE2 3.05Å
371P97.9Very high96.3Very high56 Ų5667 Ų6736%0.36434%0.342SS..  trans-60.6143.9-179.2-24.735.3000113I373 L390 M393P371-I373 HydrophobicContact CB-CG2 4.12Å; P371-L390 HydrophobicContact CB-CD1 4.34Å; P371-L390 PolarHBondContact O-N 3.36Å; P371-M393 HydrophobicContact CG-SD 3.9Å
372L98.4Very high96.1Very high34 Ų3463.4 Ų63.418%0.17832%0.324CS..EExtended strand (participates in β ladder)trans-116.5111.7164.3-174.5141.9000107.6F387 L388 K389 I511 I515 V648L372-F387 HydrophobicContact CD2-CB 3.84Å; L372-F387 HydrophobicContact CD2-CD1 3.7Å; L372-F387 HydrophobicContact CD2-CG 3.99Å; L372-F387 HydrophobicContact CG-CB 4.25Å; L372-L388 WeakPolarHBondContact CA-O 3.35Å; L372-K389 HydrophobicContact CB-CD 4.26Å; L372-K389 HydrophobicContact CD1-CB 4.41Å; L372-K389 HydrophobicContact CD1-CD 4.26Å; L372-I511 HydrophobicContact CD1-CB 4.5Å; L372-I511 HydrophobicContact CD1-CG1 4.03Å; L372-I511 HydrophobicContact CD1-CG2 4.45Å; L372-I515 HydrophobicContact CD2-CD1 3.41Å; L372-I515 VanDerWaalsContact CD2-CD1 3.41Å; L372-I515 HydrophobicContact CD2-CG1 3.85Å; L372-V648 HydrophobicContact CD1-CG1 3.99Å; L372-V648 HydrophobicContact CD1-CG2 4.01Å
373I97Very high95.8Very high70 Ų7064.5 Ų64.536%0.35934%0.341SS..EExtended strand (participates in β ladder)trans-121.8144-172.365166.7000111.4P371 F387 L388 L390 I620P371-I373 HydrophobicContact CB-CG2 4.12Å; I373-F387 CarbonylContact O-C 3.56Å; I373-F387 VanDerWaalsContact O-CA 3.24Å; I373-F387 WeakPolarHBondContact O-CA 3.38Å; I373-L388 HydrophobicContact CG1-CB 4.2Å; I373-L388 PolarHBondContact N-O 3.29Å; I373-L388 PolarHBondContact O-N 2.77Å; I373-L390 HydrophobicContact CD1-CD1 3.82Å; I373-L390 HydrophobicContact CG1-CD1 4.01Å; I373-L390 HydrophobicContact CG1-CG 4.33Å; I373-I620 HydrophobicContact CD1-CD1 4.21Å
374Q97.1Very high95.6Very high81 Ų8164.5 Ų64.538%0.37934%0.342SS..EExtended strand (participates in β ladder)trans-75.5130.9174.7-163.9173.8-0.700111M376 V386 F387Q374-M376 HydrophobicContact CG-SD 4.42Å; Q374-M376 PolarHBondContact O-N 3.22Å; Q374-V386 WeakPolarHBondContact CG-O 3.25Å; Q374-F387 HydrophobicContact CB-CD1 3.69Å; Q374-F387 HydrophobicContact CB-CE1 3.59Å; Q374-F387 HydrophobicContact CB-CG 4.48Å; Q374-F387 HydrophobicContact CB-CZ 4.31Å; Q374-F387 HydrophobicContact CG-CD1 4.09Å; Q374-F387 HydrophobicContact CG-CE1 3.86Å; Q374-F387 HydrophobicContact CG-CZ 4.07Å
375S96.9Very high95.8Very high5 Ų562.4 Ų62.44%0.03533%0.334CS..  trans-90.9100.4170.5-178.40000109.8F377 L378 T379 V386S375-F377 PolarHBondContact O-N 3.42Å; S375-L378 PolarHBondContact O-N 2.93Å; S375-L378 WeakPolarHBondContact OG-CG 3.47Å; S375-L378 PolarHBondContact OG-N 3Å; S375-T379 VanDerWaalsContact O-CB 3.26Å; S375-T379 WeakPolarHBondContact O-CB 3.37Å; S375-T379 PolarHBondContact O-N 3.26Å; S375-T379 PolarHBondContact O-OG1 3.02Å; S375-V386 PolarHBondContact N-O 2.95Å
376M94.6Very high95.9Very high130 Ų13056.9 Ų56.964%0.6431%0.308SS*.Hα-helixtrans-61.3-31175.1-61.3-54.2-64.600111.8Q374 A380Q374-M376 HydrophobicContact CG-SD 4.42Å; Q374-M376 PolarHBondContact O-N 3.22Å; M376-A380 VanDerWaalsContact O-CB 3.27Å; M376-A380 WeakPolarHBondContact O-CB 3.16Å; M376-A380 PolarHBondContact O-N 2.75Å
377F94.6Very high96.1Very high56 Ų5653.8 Ų53.825%0.24630%0.297CS..Hα-helixtrans-66.4-49.3177169.4-113.6000112.4S375 K381 D613 R617 L634S375-F377 PolarHBondContact O-N 3.42Å; F377-K381 HydrophobicContact CZ-CD 4.48Å; F377-K381 PolarHBondContact O-N 2.84Å; F377-D613 HydrophobicContact CE1-CB 3.95Å; F377-D613 HydrophobicContact CZ-CB 4.39Å; F377-D613 WeakPolarHBondContact CZ-OD2 3.39Å; F377-R617 HydrophobicContact CB-CB 4.19Å; F377-R617 HydrophobicContact CD1-CB 4.01Å; F377-R617 HydrophobicContact CD1-CG 4.05Å; F377-R617 HydrophobicContact CD2-CB 4.47Å; F377-R617 HydrophobicContact CD2-CG 4.04Å; F377-R617 HydrophobicContact CE1-CG 4.16Å; F377-R617 HydrophobicContact CE2-CG 4.15Å; F377-R617 HydrophobicContact CG-CB 3.96Å; F377-R617 HydrophobicContact CG-CG 3.99Å; F377-R617 HydrophobicContact CZ-CG 4.2Å; F377-L634 HydrophobicContact CE1-CD2 4Å; F377-L634 HydrophobicContact CZ-CD2 4.29Å
378L96.2Very high96.2Very high1 Ų153.2 Ų53.21%0.00529%0.29CS..Hα-helixtrans-70.5-40.5179.4-65.9173.9000110.8S375 A380 K381 T382 V386 L388 T630 I633 L634S375-L378 PolarHBondContact O-N 2.93Å; S375-L378 WeakPolarHBondContact OG-CG 3.47Å; S375-L378 PolarHBondContact OG-N 3Å; L378-A380 VanDerWaalsContact C-N 3.34Å; L378-A380 PolarHBondContact O-N 3.26Å; L378-K381 PolarHBondContact O-N 3.37Å; L378-T382 WeakPolarHBondContact O-CG2 3.26Å; L378-T382 PolarHBondContact O-N 3.37Å; L378-T382 PolarHBondContact O-OG1 3.05Å; L378-T382 VanDerWaalsContact O-OG1 3.07Å; L378-V386 HydrophobicContact CB-CB 3.82Å; L378-V386 HydrophobicContact CB-CG1 3.8Å; L378-V386 HydrophobicContact CB-CG2 4.11Å; L378-V386 HydrophobicContact CD1-CG1 3.78Å; L378-V386 HydrophobicContact CG-CG1 4.46Å; L378-L388 HydrophobicContact CD1-CD2 3.94Å; L378-T630 HydrophobicContact CD1-CG2 4.03Å; L378-T630 HydrophobicContact CD2-CG2 4.1Å; L378-I633 HydrophobicContact CD2-CG2 4.3Å; L378-L634 HydrophobicContact CD2-CD2 3.49Å; L378-L634 VanDerWaalsContact CD2-CD2 3.49Å; L378-L634 HydrophobicContact CD2-CG 3.86Å
379T96.4Very high96.3Very high28 Ų2846.7 Ų46.717%0.17227%0.266CS..Hα-helixtrans-54.2-48.6174.8-62.70000111.6S375 K381 G383 G384 V386S375-T379 VanDerWaalsContact O-CB 3.26Å; S375-T379 WeakPolarHBondContact O-CB 3.37Å; S375-T379 PolarHBondContact O-N 3.26Å; S375-T379 PolarHBondContact O-OG1 3.02Å; T379-K381 VanDerWaalsContact C-N 3.25Å; T379-K381 PolarHBondContact O-N 2.79Å; T379-G383 PolarHBondContact O-N 3.41Å; T379-G383 VanDerWaalsContact O-N 3.17Å; T379-G384 VanDerWaalsContact CA-O 3.22Å; T379-G384 WeakPolarHBondContact CA-O 3.29Å; T379-G384 WeakPolarHBondContact CB-O 3.44Å; T379-G384 VanDerWaalsContact CG2-O 3.29Å; T379-G384 WeakPolarHBondContact CG2-O 3.39Å; T379-V386 PolarHBondContact OG1-N 2.74Å; T379-V386 VanDerWaalsContact OG1-N 3.11Å
380A94.4Very high96.4Very high89 Ų8941.6 Ų41.674%0.73624%0.235SC*.Hα-helixtrans-66.5-24.8179.500000113.7M376 L378M376-A380 VanDerWaalsContact O-CB 3.27Å; M376-A380 WeakPolarHBondContact O-CB 3.16Å; M376-A380 PolarHBondContact O-N 2.75Å; L378-A380 VanDerWaalsContact C-N 3.34Å; L378-A380 PolarHBondContact O-N 3.26Å
381K92.5Very high96.4Very high115 Ų11541.3 Ų41.350%0.523%0.233SC..Hα-helixtrans-89.5-27.6-176.2-165.4173.3177.9-173.60113.2F377 L378 T379 L634F377-K381 HydrophobicContact CZ-CD 4.48Å; F377-K381 PolarHBondContact O-N 2.84Å; L378-K381 PolarHBondContact O-N 3.37Å; T379-K381 VanDerWaalsContact C-N 3.25Å; T379-K381 PolarHBondContact O-N 2.79Å; K381-L634 HydrophobicContact CD-CD2 3.76Å
382T93.4Very high96.3Very high23 Ų2339.9 Ų39.914%0.14122%0.222CC..Hα-helixtrans-111.3-16.7-171.165.40000114.2L378 G384 I633 V642L378-T382 WeakPolarHBondContact O-CG2 3.26Å; L378-T382 PolarHBondContact O-N 3.37Å; L378-T382 PolarHBondContact O-OG1 3.05Å; L378-T382 VanDerWaalsContact O-OG1 3.07Å; T382-G384 PolarHBondContact O-N 2.89Å; T382-G384 PolarHBondContact OG1-N 2.65Å; T382-I633 HydrophobicContact CG2-CG2 3.45Å; T382-I633 VanDerWaalsContact CG2-CG2 3.45Å; T382-V642 HydrophobicContact CG2-CG1 4.09Å; T382-V642 WeakPolarHBondContact OG1-CG1 3.15Å
383G90.1Very high96.3Very high51 Ų5142.8 Ų42.853%0.52624%0.236SC..SBendtrans75.1-0.8-172.500000114.5T379 G644T379-G383 PolarHBondContact O-N 3.41Å; T379-G383 VanDerWaalsContact O-N 3.17Å; G383-G644 PolarHBondContact O-N 3Å
384G95.2Very high96.3Very high3 Ų339.6 Ų39.63%0.03122%0.22CC..SBendtrans-91.8164.6170.300000112.5T379 T382 V386 V642 K645T379-G384 VanDerWaalsContact CA-O 3.22Å; T379-G384 WeakPolarHBondContact CA-O 3.29Å; T379-G384 WeakPolarHBondContact CB-O 3.44Å; T379-G384 VanDerWaalsContact CG2-O 3.29Å; T379-G384 WeakPolarHBondContact CG2-O 3.39Å; T382-G384 PolarHBondContact O-N 2.89Å; T382-G384 PolarHBondContact OG1-N 2.65Å; G384-V386 PolarHBondContact O-N 3.26Å; G384-V642 WeakPolarHBondContact CA-O 3.45Å; G384-K645 CarbonylContact C-O 3.59Å; G384-K645 WeakPolarHBondContact CA-O 3.49Å
385Q98.1Very high96Very high91 Ų9137.3 Ų37.343%0.42521%0.21SC..EExtended strand (participates in β ladder)trans-89.797.1168.7-66.9178.958.600109F387 K645 K646 V647Q385-F387 HydrophobicContact CB-CE2 4Å; Q385-F387 WeakPolarHBondContact O-CD2 3.43Å; Q385-K645 PolarHBondContact N-O 3.46Å; Q385-K646 HydrophobicContact CB-CG 4.19Å; Q385-V647 PolarHBondContact O-N 3.42Å
386V98.5Very high95.8Very high0 Ų037.5 Ų37.50%021%0.211CC..EExtended strand (participates in β ladder)trans-99.2124.6-171.9-175.40000111.3Q374 S375 L378 T379 G384 I633 V642 V647Q374-V386 WeakPolarHBondContact CG-O 3.25Å; S375-V386 PolarHBondContact N-O 2.95Å; L378-V386 HydrophobicContact CB-CB 3.82Å; L378-V386 HydrophobicContact CB-CG1 3.8Å; L378-V386 HydrophobicContact CB-CG2 4.11Å; L378-V386 HydrophobicContact CD1-CG1 3.78Å; L378-V386 HydrophobicContact CG-CG1 4.46Å; T379-V386 PolarHBondContact OG1-N 2.74Å; T379-V386 VanDerWaalsContact OG1-N 3.11Å; G384-V386 PolarHBondContact O-N 3.26Å; V386-I633 HydrophobicContact CG1-CD1 3.97Å; V386-V642 HydrophobicContact CG2-CG1 4.1Å; V386-V647 CarbonylContact C-O 3.52Å; V386-V647 WeakPolarHBondContact CA-O 3.49Å
387F98.7Very high95.8Very high29 Ų2932.1 Ų32.113%0.12719%0.188CC..EExtended strand (participates in β ladder)trans-113.5151.4175.8-60.5-98.9000110.9L372 I373 Q374 Q385 I515 V647 V648 A649L372-F387 HydrophobicContact CD2-CB 3.84Å; L372-F387 HydrophobicContact CD2-CD1 3.7Å; L372-F387 HydrophobicContact CD2-CG 3.99Å; L372-F387 HydrophobicContact CG-CB 4.25Å; I373-F387 CarbonylContact O-C 3.56Å; I373-F387 VanDerWaalsContact O-CA 3.24Å; I373-F387 WeakPolarHBondContact O-CA 3.38Å; Q374-F387 HydrophobicContact CB-CD1 3.69Å; Q374-F387 HydrophobicContact CB-CE1 3.59Å; Q374-F387 HydrophobicContact CB-CG 4.48Å; Q374-F387 HydrophobicContact CB-CZ 4.31Å; Q374-F387 HydrophobicContact CG-CD1 4.09Å; Q374-F387 HydrophobicContact CG-CE1 3.86Å; Q374-F387 HydrophobicContact CG-CZ 4.07Å; Q385-F387 HydrophobicContact CB-CE2 4Å; Q385-F387 WeakPolarHBondContact O-CD2 3.43Å; F387-I515 HydrophobicContact CB-CD1 4.27Å; F387-I515 HydrophobicContact CD1-CD1 3.58Å; F387-I515 HydrophobicContact CD2-CD1 3.53Å; F387-I515 HydrophobicContact CE1-CD1 3.66Å; F387-I515 HydrophobicContact CE2-CD1 3.64Å; F387-I515 HydrophobicContact CG-CD1 3.52Å; F387-I515 HydrophobicContact CZ-CD1 3.71Å; F387-V647 PolarHBondContact N-O 3Å; F387-V648 HydrophobicContact CB-CG2 4.23Å; F387-V648 CarbonylContact O-C 3.46Å; F387-V648 WeakPolarHBondContact O-CA 3.5Å; F387-A649 PolarHBondContact O-N 3.18Å
388L98.6Very high95.9Very high0 Ų029.4 Ų29.40%018%0.177CC..EExtended strand (participates in β ladder)trans-114.4121.1178.7-57.8-179.3000109.2L372 I373 L378 L390 L614 T618 I620 A649 V651L372-L388 WeakPolarHBondContact CA-O 3.35Å; I373-L388 HydrophobicContact CG1-CB 4.2Å; I373-L388 PolarHBondContact N-O 3.29Å; I373-L388 PolarHBondContact O-N 2.77Å; L378-L388 HydrophobicContact CD1-CD2 3.94Å; L388-L390 HydrophobicContact CB-CD2 3.62Å; L388-L614 HydrophobicContact CD1-CD2 3.92Å; L388-T618 HydrophobicContact CD1-CG2 4.13Å; L388-I620 HydrophobicContact CD1-CD1 3.71Å; L388-A649 WeakPolarHBondContact CA-O 3.32Å; L388-A649 HydrophobicContact CD2-CB 3.96Å; L388-V651 HydrophobicContact CB-CG2 4.23Å; L388-V651 HydrophobicContact CD2-CG2 4.34Å
389K98.7Very high96Very high0 Ų030.3 Ų30.30%018%0.18CC..EExtended strand (participates in β ladder)trans-91.6110.3172.3-179.158.9173.4174.20109.4T370 L372 E391 I507 E510 I511 V648 A649 V650 V651T370-K389 PolarHBondContact O-NZ 2.65Å; T370-K389 WeakPolarHBondContact OG1-CE 3.39Å; T370-K389 PolarHBondContact OG1-NZ 2.79Å; L372-K389 HydrophobicContact CB-CD 4.26Å; L372-K389 HydrophobicContact CD1-CB 4.41Å; L372-K389 HydrophobicContact CD1-CD 4.26Å; K389-E391 PolarHBondContact O-N 3.3Å; K389-I507 HydrophobicContact CG-CG2 3.86Å; K389-E510 IonicContact NZ-OE2 3.58Å; K389-E510 PolarHBondContact NZ-OE2 2.86Å; K389-I511 HydrophobicContact CD-CG1 4.31Å; K389-I511 HydrophobicContact CG-CD1 4.34Å; K389-I511 HydrophobicContact CG-CG1 4.2Å; K389-V648 HydrophobicContact CB-CG1 3.81Å; K389-A649 PolarHBondContact N-O 2.91Å; K389-V650 HydrophobicContact CB-CG2 4.49Å; K389-V651 PolarHBondContact O-N 3.19Å
390L98.4Very high96.1Very high6 Ų630.1 Ų30.13%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-92.868-162.1-57.4-167.8000114.1T370 P371 I373 L388 N392 M393 I620 V651T370-L390 WeakPolarHBondContact CB-O 3.47Å; P371-L390 HydrophobicContact CB-CD1 4.34Å; P371-L390 PolarHBondContact O-N 3.36Å; I373-L390 HydrophobicContact CD1-CD1 3.82Å; I373-L390 HydrophobicContact CG1-CD1 4.01Å; I373-L390 HydrophobicContact CG1-CG 4.33Å; L388-L390 HydrophobicContact CB-CD2 3.62Å; L390-N392 WeakPolarHBondContact CB-OD1 3.45Å; L390-N392 PolarHBondContact O-N 3.06Å; L390-M393 HydrophobicContact CB-CG 4.06Å; L390-M393 HydrophobicContact CB-SD 4.14Å; L390-M393 HydrophobicContact CD1-SD 3.77Å; L390-M393 WeakPolarHBondContact O-CB 3.49Å; L390-M393 PolarHBondContact O-N 3.41Å; L390-I620 HydrophobicContact CD1-CD1 4.06Å; L390-I620 HydrophobicContact CD2-CD1 3.62Å; L390-V651 HydrophobicContact CD2-CB 4.07Å; L390-V651 HydrophobicContact CD2-CG2 3.9Å
391E98.4Very high96.2Very high0 Ų025.9 Ų25.90%014%0.142CC..G310 helixtrans-68.8-14.7175.8-71.3-64.4120.400113.7T370 K389 M393 Q394 S398 F399 R402 I507 V651T370-E391 WeakPolarHBondContact CB-OE1 3.44Å; T370-E391 WeakPolarHBondContact CG2-OE1 3.31Å; T370-E391 PolarHBondContact OG1-OE1 3.32Å; K389-E391 PolarHBondContact O-N 3.3Å; E391-M393 PolarHBondContact O-N 2.9Å; E391-M393 VanDerWaalsContact O-N 3.15Å; E391-Q394 WeakPolarHBondContact O-CB 3.37Å; E391-Q394 PolarHBondContact O-N 3.49Å; E391-S398 CarbonylContact O-C 3.51Å; E391-S398 VanDerWaalsContact O-CA 3.22Å; E391-S398 WeakPolarHBondContact O-CA 3.43Å; E391-S398 PolarHBondContact O-N 3.49Å; E391-F399 HydrophobicContact CB-CB 3.76Å; E391-F399 HydrophobicContact CG-CB 3.86Å; E391-F399 WeakPolarHBondContact OE2-CA 3.19Å; E391-F399 WeakPolarHBondContact OE2-CB 3.38Å; E391-R402 IonicContact OE1-CZ 3.57Å; E391-R402 IonicContact OE1-NE 3.88Å; E391-R402 PolarHBondContact OE1-NE 3.17Å; E391-R402 IonicContact OE1-NH2 2.62Å; E391-R402 PolarHBondContact OE1-NH2 3.36Å; E391-R402 IonicContact OE2-CZ 2.85Å; E391-R402 IonicContact OE2-NE 2.73Å; E391-R402 PolarHBondContact OE2-NE 3.44Å; E391-R402 IonicContact OE2-NH2 3.54Å; E391-I507 HydrophobicContact CG-CD1 3.73Å; E391-I507 HydrophobicContact CG-CG1 4.22Å; E391-V651 WeakPolarHBondContact CA-O 3.44Å; E391-V651 WeakPolarHBondContact CB-O 3.25Å; E391-V651 PolarHBondContact N-O 3.45Å
392N97.1Very high96.5Very high25 Ų2520.5 Ų20.513%0.13412%0.119CC..G310 helixtrans-61.9-15.2166.271.7-52.4000113.6L390 G397 I620 V621 V651L390-N392 WeakPolarHBondContact CB-OD1 3.45Å; L390-N392 PolarHBondContact O-N 3.06Å; N392-G397 WeakPolarHBondContact CA-O 3.42Å; N392-G397 CarbonylContact O-C 3.58Å; N392-G397 WeakPolarHBondContact O-CA 3.47Å; N392-I620 VanDerWaalsContact ND2-CG2 3.26Å; N392-I620 WeakPolarHBondContact ND2-CG2 3.29Å; N392-V621 PolarHBondContact ND2-O 3.39Å; N392-V621 VanDerWaalsContact ND2-O 3.07Å; N392-V651 HydrophobicContact CB-CG1 4.2Å; N392-V651 PolarHBondContact N-O 3.37Å
393M97.3Very high96.7Very high96 Ų9619.4 Ų19.447%0.47311%0.112SC..G310 helixtrans-95.91.2174.9-55.4-170.594.100113.7R368 P371 L390 E391R368-M393 WeakPolarHBondContact CD-O 3.16Å; R368-M393 PolarHBondContact NH1-O 3.48Å; P371-M393 HydrophobicContact CG-SD 3.9Å; L390-M393 HydrophobicContact CB-CG 4.06Å; L390-M393 HydrophobicContact CB-SD 4.14Å; L390-M393 HydrophobicContact CD1-SD 3.77Å; L390-M393 WeakPolarHBondContact O-CB 3.49Å; L390-M393 PolarHBondContact O-N 3.41Å; E391-M393 PolarHBondContact O-N 2.9Å; E391-M393 VanDerWaalsContact O-N 3.15Å
394Q97.3Very high97.1Very high3 Ų317 Ų171%0.0149%0.087CC..SBendtrans-65.2163.4172.3-173.252.5-93.600110.9R368 T370 E391 T396 G397 S398 F401R368-Q394 PolarHBondContact O-NE2 3.42Å; T370-Q394 HydrophobicContact CG2-CB 3.99Å; E391-Q394 WeakPolarHBondContact O-CB 3.37Å; E391-Q394 PolarHBondContact O-N 3.49Å; Q394-T396 PolarHBondContact O-N 3.44Å; Q394-G397 WeakPolarHBondContact O-CA 3.5Å; Q394-G397 PolarHBondContact O-N 3.35Å; Q394-S398 WeakPolarHBondContact CB-O 3.25Å; Q394-S398 WeakPolarHBondContact CG-O 3.2Å; Q394-F401 HydrophobicContact CG-CB 4.08Å; Q394-F401 HydrophobicContact CG-CD1 4.44Å
395L91.6Very high97.2Very high33 Ų3316.9 Ų16.917%0.1739%0.086CC..G310 helixtrans-49.9139.6164.6-62.6-176.2000110.2Y366 G397 F401 L434Y366-L395 WeakPolarHBondContact O-CD1 3.38Å; L395-G397 PolarHBondContact O-N 2.97Å; L395-F401 HydrophobicContact CB-CD1 4.19Å; L395-F401 HydrophobicContact CB-CD2 4.13Å; L395-F401 HydrophobicContact CB-CE2 4.47Å; L395-F401 HydrophobicContact CB-CG 3.99Å; L395-F401 HydrophobicContact CD1-CD1 4.32Å; L395-F401 HydrophobicContact CD1-CE1 3.85Å; L395-F401 HydrophobicContact CD1-CE2 4.11Å; L395-F401 HydrophobicContact CD1-CZ 3.73Å; L395-L434 HydrophobicContact CB-CD2 3.73Å; L395-L434 HydrophobicContact CD1-CD2 4.26Å; L395-L434 HydrophobicContact CG-CD2 4.48Å
396T92.6Very high97.2Very high9 Ų912.6 Ų12.66%0.0557%0.066CC..G310 helixtrans66.23.7-169.975.80000116.2Q394 Q430 L434 Y462 N655Q394-T396 PolarHBondContact O-N 3.44Å; T396-Q430 HydrophobicContact CG2-CB 4.15Å; T396-Q430 WeakPolarHBondContact CG2-O 3.14Å; T396-L434 HydrophobicContact CG2-CB 3.66Å; T396-L434 HydrophobicContact CG2-CD2 3.49Å; T396-L434 VanDerWaalsContact CG2-CD2 3.49Å; T396-L434 HydrophobicContact CG2-CG 4.22Å; T396-Y462 HydrophobicContact CG2-CE2 4.21Å; T396-N655 PolarHBondContact O-ND2 3.17Å; T396-N655 PolarHBondContact O-OD1 3.16Å
397G94.7Very high97.2Very high16 Ų1614.2 Ų14.217%0.1657%0.073CC..G310 helixtrans78.315177.500000114.8N392 Q394 L395 G654N392-G397 WeakPolarHBondContact CA-O 3.42Å; N392-G397 CarbonylContact O-C 3.58Å; N392-G397 WeakPolarHBondContact O-CA 3.47Å; Q394-G397 WeakPolarHBondContact O-CA 3.5Å; Q394-G397 PolarHBondContact O-N 3.35Å; L395-G397 PolarHBondContact O-N 2.97Å; G397-G654 PolarHBondContact O-N 3.43Å
398S96.6Very high97.2Very high0 Ų012.9 Ų12.90%07%0.067CC..BIsolated β-bridgetrans-160.7165.5176.374.80000113.1E391 Q394 K400 N427 S652E391-S398 CarbonylContact O-C 3.51Å; E391-S398 VanDerWaalsContact O-CA 3.22Å; E391-S398 WeakPolarHBondContact O-CA 3.43Å; E391-S398 PolarHBondContact O-N 3.49Å; Q394-S398 WeakPolarHBondContact CB-O 3.25Å; Q394-S398 WeakPolarHBondContact CG-O 3.2Å; S398-K400 PolarHBondContact O-N 3.49Å; S398-K400 VanDerWaalsContact O-N 3.15Å; S398-K400 PolarHBondContact OG-N 3.12Å; S398-N427 VanDerWaalsContact OG-CB 3.31Å; S398-N427 WeakPolarHBondContact OG-CB 3.28Å; S398-S652 WeakPolarHBondContact CA-O 3.44Å
399F97.8Very high97.1Very high20 Ų2014.1 Ų14.19%0.0888%0.077CC..THydrogen-bonded Turntrans-59.7-22.9176.277.4-74.3000114.9E391 F401 R402 Q504 I507 L529 S652E391-F399 HydrophobicContact CB-CB 3.76Å; E391-F399 HydrophobicContact CG-CB 3.86Å; E391-F399 WeakPolarHBondContact OE2-CA 3.19Å; E391-F399 WeakPolarHBondContact OE2-CB 3.38Å; F399-F401 PolarHBondContact O-N 3.4Å; F399-R402 PolarHBondContact O-N 2.88Å; F399-Q504 HydrophobicContact CD2-CB 4.46Å; F399-Q504 HydrophobicContact CD2-CG 3.93Å; F399-Q504 VanDerWaalsContact CD2-OE1 3.25Å; F399-Q504 HydrophobicContact CE2-CG 3.96Å; F399-Q504 PolarHBondContact O-NE2 3.14Å; F399-Q504 PolarHBondContact O-OE1 3.46Å; F399-I507 HydrophobicContact CB-CD1 3.91Å; F399-L529 HydrophobicContact CD1-CD2 4.31Å; F399-L529 HydrophobicContact CD2-CB 4.17Å; F399-L529 HydrophobicContact CD2-CD1 3.65Å; F399-L529 HydrophobicContact CD2-CD2 4.11Å; F399-L529 HydrophobicContact CD2-CG 4.17Å; F399-L529 HydrophobicContact CE1-CD2 4.1Å; F399-L529 HydrophobicContact CE2-CB 3.53Å; F399-L529 HydrophobicContact CE2-CD1 3.94Å; F399-L529 HydrophobicContact CE2-CD2 3.95Å; F399-L529 HydrophobicContact CE2-CG 3.99Å; F399-L529 HydrophobicContact CG-CD1 4.25Å; F399-L529 HydrophobicContact CG-CD2 4.29Å; F399-L529 HydrophobicContact CZ-CB 3.89Å; F399-L529 HydrophobicContact CZ-CD2 3.89Å; F399-L529 HydrophobicContact CZ-CG 4.36Å; F399-S652 VanDerWaalsContact CD1-O 3.3Å; F399-S652 WeakPolarHBondContact CD1-O 3.49Å; F399-S652 PolarHBondContact N-O 3.36Å; F399-S652 VanDerWaalsContact N-O 3.08Å
400K97.5Very high97Very high24 Ų2416.6 Ų16.610%0.1049%0.089CC..Hα-helixtrans-58.7-23.1-170.7-71.1-60.4-173111.40113.9S398 R402 A404 N427 P494S398-K400 PolarHBondContact O-N 3.49Å; S398-K400 VanDerWaalsContact O-N 3.15Å; S398-K400 PolarHBondContact OG-N 3.12Å; K400-R402 VanDerWaalsContact C-N 3.29Å; K400-R402 PolarHBondContact O-N 3.06Å; K400-A404 WeakPolarHBondContact O-CB 3.32Å; K400-A404 PolarHBondContact O-N 2.93Å; K400-N427 HydrophobicContact CB-CB 4.08Å; K400-N427 WeakPolarHBondContact CB-O 3.26Å; K400-N427 HydrophobicContact CG-CB 3.6Å; K400-P494 PolarHBondContact NZ-O 3.3Å
401F97.5Very high96.9Very high0 Ų016.8 Ų16.80%09%0.09CC..Hα-helixtrans-52.9-42.9170.8178.6-99.1000112.9Q394 L395 F399 A404 F405 L434 L438Q394-F401 HydrophobicContact CG-CB 4.08Å; Q394-F401 HydrophobicContact CG-CD1 4.44Å; L395-F401 HydrophobicContact CB-CD1 4.19Å; L395-F401 HydrophobicContact CB-CD2 4.13Å; L395-F401 HydrophobicContact CB-CE2 4.47Å; L395-F401 HydrophobicContact CB-CG 3.99Å; L395-F401 HydrophobicContact CD1-CD1 4.32Å; L395-F401 HydrophobicContact CD1-CE1 3.85Å; L395-F401 HydrophobicContact CD1-CE2 4.11Å; L395-F401 HydrophobicContact CD1-CZ 3.73Å; F399-F401 PolarHBondContact O-N 3.4Å; F401-A404 PolarHBondContact O-N 3.15Å; F401-F405 HydrophobicContact CE1-CB 4.12Å; F401-F405 HydrophobicContact CE1-CD2 4.28Å; F401-F405 HydrophobicContact CE1-CG 4.25Å; F401-F405 HydrophobicContact CE2-CB 4.39Å; F401-F405 HydrophobicContact CE2-CD2 4.02Å; F401-F405 HydrophobicContact CZ-CB 4.05Å; F401-F405 AromaticContact CZ-CD2 3.55Å; F401-F405 HydrophobicContact CZ-CD2 3.55Å; F401-F405 HydrophobicContact CZ-CE2 4.36Å; F401-F405 AromaticContact CZ-CG 3.96Å; F401-F405 HydrophobicContact CZ-CG 3.96Å; F401-F405 WeakPolarHBondContact O-CB 3.26Å; F401-F405 PolarHBondContact O-N 3.3Å; F401-L434 HydrophobicContact CD2-CD2 4.03Å; F401-L434 HydrophobicContact CD2-CG 4.42Å; F401-L434 HydrophobicContact CE2-CD2 4Å; F401-L434 HydrophobicContact CE2-CG 4.14Å; F401-L438 HydrophobicContact CE2-CD1 3.88Å; F401-L438 HydrophobicContact CZ-CD1 3.95Å
402R98.2Very high96.7Very high2 Ų220.6 Ų20.61%0.00811%0.113CC..Hα-helixtrans-64.5-51.3-171.6-54.1171.5172.1-93.32.7112.2V363 R368 E391 F399 K400 F405 N406 G503 T506 E510V363-R402 HydrophobicContact CG1-CB 4.01Å; V363-R402 HydrophobicContact CG1-CG 3.95Å; V363-R402 HydrophobicContact CG2-CB 4.26Å; V363-R402 WeakPolarHBondContact CG2-O 3.43Å; R368-R402 PolarHBondContact O-NH2 2.97Å; E391-R402 IonicContact OE1-CZ 3.57Å; E391-R402 IonicContact OE1-NE 3.88Å; E391-R402 PolarHBondContact OE1-NE 3.17Å; E391-R402 IonicContact OE1-NH2 2.62Å; E391-R402 PolarHBondContact OE1-NH2 3.36Å; E391-R402 IonicContact OE2-CZ 2.85Å; E391-R402 IonicContact OE2-NE 2.73Å; E391-R402 PolarHBondContact OE2-NE 3.44Å; E391-R402 IonicContact OE2-NH2 3.54Å; F399-R402 PolarHBondContact O-N 2.88Å; K400-R402 VanDerWaalsContact C-N 3.29Å; K400-R402 PolarHBondContact O-N 3.06Å; R402-F405 PolarHBondContact O-N 3.5Å; R402-N406 WeakPolarHBondContact O-CB 3.37Å; R402-N406 PolarHBondContact O-N 3.13Å; R402-G503 WeakPolarHBondContact CB-O 3.49Å; R402-T506 PolarHBondContact NH1-OG1 2.86Å; R402-T506 VanDerWaalsContact NH1-OG1 3.07Å; R402-E510 IonicContact CZ-OE1 3.49Å; R402-E510 VanDerWaalsContact CZ-OE1 3.25Å; R402-E510 IonicContact CZ-OE2 2.94Å; R402-E510 IonicContact NH1-OE1 2.77Å; R402-E510 PolarHBondContact NH1-OE1 3.18Å; R402-E510 VanDerWaalsContact NH2-CD 3.29Å; R402-E510 IonicContact NH2-OE1 3.32Å; R402-E510 PolarHBondContact NH2-OE1 3.15Å; R402-E510 IonicContact NH2-OE2 2.91Å; R402-E510 PolarHBondContact NH2-OE2 3.09Å
403G98Very high96.5Very high0 Ų025.1 Ų25.10%013%0.133CC..Hα-helixtrans-65.2-41.7177.200000113.2N406 K407 V500 Q504G403-N406 PolarHBondContact O-N 3.49Å; G403-K407 PolarHBondContact O-N 3.49Å; G403-V500 WeakPolarHBondContact CA-O 3.4Å; G403-Q504 VanDerWaalsContact N-NE2 3.17Å
404A97.7Very high96.3Very high1 Ų123.5 Ų23.51%0.00814%0.135CC..Hα-helixtrans-62.5-45.3175.900000111.5K400 F401 K407 I408 V432K400-A404 WeakPolarHBondContact O-CB 3.32Å; K400-A404 PolarHBondContact O-N 2.93Å; F401-A404 PolarHBondContact O-N 3.15Å; A404-K407 PolarHBondContact O-N 2.98Å; A404-I408 WeakPolarHBondContact O-CB 3.35Å; A404-I408 VanDerWaalsContact O-CG1 3.25Å; A404-I408 WeakPolarHBondContact O-CG1 3.49Å; A404-I408 PolarHBondContact O-N 2.82Å; A404-V432 HydrophobicContact CB-CG2 4.04Å
405F98.3Very high96.2Very high0 Ų026.5 Ų26.50%015%0.149CC..Hα-helixtrans-60.6-47.9176.8-166.6-87.7000111.5V362 Q365 Y366 F401 R402 I408 A409 T435 L439V362-F405 HydrophobicContact CG1-CD1 3.94Å; V362-F405 HydrophobicContact CG1-CE1 3.82Å; V362-F405 WeakPolarHBondContact O-CE1 3.21Å; Q365-F405 HydrophobicContact CB-CE1 4.47Å; Q365-F405 HydrophobicContact CB-CZ 4.49Å; Y366-F405 HydrophobicContact CD2-CD2 4.45Å; Y366-F405 HydrophobicContact CD2-CE1 4.38Å; Y366-F405 AromaticContact CD2-CE2 3.4Å; Y366-F405 HydrophobicContact CD2-CE2 3.4Å; Y366-F405 VanDerWaalsContact CD2-CE2 3.4Å; Y366-F405 AromaticContact CD2-CZ 3.38Å; Y366-F405 HydrophobicContact CD2-CZ 3.38Å; Y366-F405 AromaticContact CE2-CE2 3.95Å; Y366-F405 HydrophobicContact CE2-CE2 3.95Å; Y366-F405 AromaticContact CE2-CZ 3.82Å; Y366-F405 HydrophobicContact CE2-CZ 3.82Å; Y366-F405 HydrophobicContact CG-CE2 4.36Å; F401-F405 HydrophobicContact CE1-CB 4.12Å; F401-F405 HydrophobicContact CE1-CD2 4.28Å; F401-F405 HydrophobicContact CE1-CG 4.25Å; F401-F405 HydrophobicContact CE2-CB 4.39Å; F401-F405 HydrophobicContact CE2-CD2 4.02Å; F401-F405 HydrophobicContact CZ-CB 4.05Å; F401-F405 AromaticContact CZ-CD2 3.55Å; F401-F405 HydrophobicContact CZ-CD2 3.55Å; F401-F405 HydrophobicContact CZ-CE2 4.36Å; F401-F405 AromaticContact CZ-CG 3.96Å; F401-F405 HydrophobicContact CZ-CG 3.96Å; F401-F405 WeakPolarHBondContact O-CB 3.26Å; F401-F405 PolarHBondContact O-N 3.3Å; R402-F405 PolarHBondContact O-N 3.5Å; F405-I408 PolarHBondContact O-N 2.96Å; F405-A409 HydrophobicContact CE1-CB 4.37Å; F405-A409 WeakPolarHBondContact O-CB 3.33Å; F405-A409 PolarHBondContact O-N 2.83Å; F405-T435 HydrophobicContact CB-CG2 4.25Å; F405-T435 HydrophobicContact CD2-CG2 3.72Å; F405-T435 HydrophobicContact CE2-CG2 4.39Å; F405-T435 HydrophobicContact CG-CG2 4.31Å; F405-L439 HydrophobicContact CE2-CD1 4.24Å; F405-L439 HydrophobicContact CE2-CD2 4.09Å; F405-L439 HydrophobicContact CE2-CG 4.13Å; F405-L439 HydrophobicContact CZ-CD2 4.06Å
406N98.5Very high96.4Very high1 Ų127.1 Ų27.11%0.00515%0.15CC..Hα-helixtrans-61.2-48.9179.8-16350.2000111.9A359 V363 R402 G403 I408 A409 H410 F499A359-N406 WeakPolarHBondContact CA-OD1 3.45Å; A359-N406 WeakPolarHBondContact CB-ND2 3.48Å; V363-N406 HydrophobicContact CG2-CB 4.15Å; R402-N406 WeakPolarHBondContact O-CB 3.37Å; R402-N406 PolarHBondContact O-N 3.13Å; G403-N406 PolarHBondContact O-N 3.49Å; N406-I408 PolarHBondContact O-N 2.87Å; N406-A409 PolarHBondContact O-N 3.15Å; N406-H410 PolarHBondContact O-N 2.84Å; N406-H410 PolarHBondContact O-ND1 2.85Å; N406-H410 PolarHBondContact OD1-CE1 3.02Å; N406-H410 PolarHBondContact OD1-ND1 3.47Å; N406-F499 PolarHBondContact ND2-O 3.28Å
407K98Very high96.5Very high34 Ų3432.1 Ų32.115%0.14818%0.177CC..Hα-helixtrans-60.5-48.5179177.259.6176.1-160.70112.3G403 A404 A409 H410 L411 I492 D497 F499 V500G403-K407 PolarHBondContact O-N 3.49Å; A404-K407 PolarHBondContact O-N 2.98Å; K407-A409 VanDerWaalsContact C-N 3.34Å; K407-A409 PolarHBondContact O-N 3.39Å; K407-H410 PolarHBondContact O-N 3.12Å; K407-L411 PolarHBondContact O-N 3.19Å; K407-I492 HydrophobicContact CG-CD1 4.12Å; K407-I492 HydrophobicContact CG-CG2 4.22Å; K407-D497 WeakPolarHBondContact CD-OD1 3.25Å; K407-D497 WeakPolarHBondContact CE-OD2 3.47Å; K407-D497 IonicContact NZ-OD1 3.66Å; K407-D497 IonicContact NZ-OD2 3.36Å; K407-D497 PolarHBondContact NZ-OD2 3.42Å; K407-F499 HydrophobicContact CB-CB 4.12Å; K407-F499 HydrophobicContact CD-CB 3.95Å; K407-F499 HydrophobicContact CD-CD2 3.94Å; K407-F499 HydrophobicContact CD-CG 4.31Å; K407-V500 HydrophobicContact CB-CG2 3.89Å; K407-V500 HydrophobicContact CG-CG2 4.38Å
408I97.9Very high96.5Very high0 Ų037.6 Ų37.60%020%0.196CC..Hα-helixtrans-68.5-36-176.1-63.6169.1000110.9A404 F405 N406 H410 L411 K416 V420 V432 T435 L439 I441 I492A404-I408 WeakPolarHBondContact O-CB 3.35Å; A404-I408 VanDerWaalsContact O-CG1 3.25Å; A404-I408 WeakPolarHBondContact O-CG1 3.49Å; A404-I408 PolarHBondContact O-N 2.82Å; F405-I408 PolarHBondContact O-N 2.96Å; N406-I408 PolarHBondContact O-N 2.87Å; I408-H410 VanDerWaalsContact C-N 3.28Å; I408-H410 PolarHBondContact O-N 3.41Å; I408-L411 HydrophobicContact CG2-CD1 4.47Å; I408-L411 WeakPolarHBondContact O-CB 3.44Å; I408-L411 PolarHBondContact O-N 3.29Å; I408-K416 WeakPolarHBondContact O-CE 3.44Å; I408-V420 HydrophobicContact CD1-CG2 4.35Å; I408-V420 HydrophobicContact CG1-CG1 4.46Å; I408-V432 HydrophobicContact CD1-CG1 4.15Å; I408-T435 HydrophobicContact CB-CG2 3.74Å; I408-T435 HydrophobicContact CD1-CG2 3.55Å; I408-T435 HydrophobicContact CG1-CG2 4.17Å; I408-T435 HydrophobicContact CG2-CG2 4Å; I408-L439 HydrophobicContact CB-CD1 4.4Å; I408-L439 HydrophobicContact CG2-CD1 3.78Å; I408-I441 HydrophobicContact CG2-CD1 3.47Å; I408-I441 VanDerWaalsContact CG2-CD1 3.47Å; I408-I492 HydrophobicContact CD1-CG1 4.28Å; I408-I492 HydrophobicContact CG1-CD1 3.8Å; I408-I492 HydrophobicContact CG1-CG1 4.09Å; I408-I492 HydrophobicContact CG1-CG2 4.48Å
409A96.7Very high96.5Very high26 Ų2637.7 Ų37.722%0.21520%0.197CC..Hα-helixtrans-61.4-36.5175.700000112.4V362 F405 N406 K407 L411 K416V362-A409 HydrophobicContact CG1-CB 3.41Å; V362-A409 VanDerWaalsContact CG1-CB 3.41Å; F405-A409 HydrophobicContact CE1-CB 4.37Å; F405-A409 WeakPolarHBondContact O-CB 3.33Å; F405-A409 PolarHBondContact O-N 2.83Å; N406-A409 PolarHBondContact O-N 3.15Å; K407-A409 VanDerWaalsContact C-N 3.34Å; K407-A409 PolarHBondContact O-N 3.39Å; A409-L411 VanDerWaalsContact C-N 3.33Å; A409-K416 PolarHBondContact O-NZ 3.35Å
410H96.3Very high96.5Very high53 Ų5336.7 Ų36.725%0.24519%0.193CC..THydrogen-bonded Turntrans-80.3-6.6178.7-72.887.7000114.7E358 N406 K407 I408 F499E358-H410 IonicContact OE1-NE2 2.94Å; E358-H410 PolarHBondContact OE1-NE2 3.37Å; N406-H410 PolarHBondContact O-N 2.84Å; N406-H410 PolarHBondContact O-ND1 2.85Å; N406-H410 PolarHBondContact OD1-CE1 3.02Å; N406-H410 PolarHBondContact OD1-ND1 3.47Å; K407-H410 PolarHBondContact O-N 3.12Å; I408-H410 VanDerWaalsContact C-N 3.28Å; I408-H410 PolarHBondContact O-N 3.41Å; H410-F499 HydrophobicContact CB-CD1 3.89Å; H410-F499 HydrophobicContact CB-CE1 3.8Å; H410-F499 HydrophobicContact CB-CE2 4.44Å; H410-F499 HydrophobicContact CB-CG 4.27Å; H410-F499 HydrophobicContact CB-CZ 4.07Å; H410-F499 AromaticContact CD2-CD1 3.82Å; H410-F499 AromaticContact CD2-CE1 3.35Å; H410-F499 WeakPolarHBondContact CD2-CE1 3.37Å; H410-F499 AromaticContact CE1-CD1 3.98Å; H410-F499 AromaticContact CG-CD1 3.51Å; H410-F499 AromaticContact CG-CE1 3.44Å; H410-F499 VanDerWaalsContact CG-CE1 3.44Å; H410-F499 AromaticContact ND1-CD1 3.64Å; H410-F499 AromaticContact ND1-CE1 3.99Å; H410-F499 AromaticContact NE2-CE1 3.87Å
411L96.8Very high96.5Very high10 Ų1035.6 Ų35.65%0.05219%0.188CC..SBendtrans-63.4142.7173.8-63.8-176.9000111.2K407 I408 A409 E415 K416 V420 T490 I492K407-L411 PolarHBondContact O-N 3.19Å; I408-L411 HydrophobicContact CG2-CD1 4.47Å; I408-L411 WeakPolarHBondContact O-CB 3.44Å; I408-L411 PolarHBondContact O-N 3.29Å; A409-L411 VanDerWaalsContact C-N 3.33Å; L411-E415 HydrophobicContact CB-CB 4.03Å; L411-E415 HydrophobicContact CD1-CB 4.45Å; L411-E415 HydrophobicContact CD2-CB 4.5Å; L411-K416 HydrophobicContact CB-CG 3.85Å; L411-K416 WeakPolarHBondContact O-CE 3.39Å; L411-K416 PolarHBondContact O-NZ 2.95Å; L411-V420 HydrophobicContact CD1-CG1 3.56Å; L411-T490 HydrophobicContact CD1-CG2 3.94Å; L411-T490 HydrophobicContact CD2-CG2 3.74Å; L411-I492 HydrophobicContact CD1-CD1 4.08Å
412T94.4Very high96.5Very high79 Ų7935.6 Ų35.649%0.48519%0.188SC..  trans-62.6158.5171.364.40000110.5A414 E415 K416T412-A414 PolarHBondContact O-N 3.06Å; T412-E415 WeakPolarHBondContact CB-OE2 3.43Å; T412-E415 WeakPolarHBondContact CG2-OE2 3.44Å; T412-E415 PolarHBondContact N-OE2 3.2Å; T412-E415 PolarHBondContact O-N 2.95Å; T412-E415 VanDerWaalsContact O-N 3.15Å; T412-E415 VanDerWaalsContact OG1-CG 3.26Å; T412-E415 WeakPolarHBondContact OG1-CG 3.48Å; T412-E415 PolarHBondContact OG1-N 3.37Å; T412-E415 PolarHBondContact OG1-OE2 2.95Å; T412-K416 WeakPolarHBondContact O-CG 3.47Å; T412-K416 PolarHBondContact O-N 3.43Å
413Q93.1Very high96.4Very high120 Ų12035.6 Ų35.656%0.56119%0.189SC*.Hα-helixtrans-59.5-38.4177.8-168.759.944.400111.7E415 K416 D417Q413-E415 VanDerWaalsContact C-N 3.33Å; Q413-E415 PolarHBondContact O-N 3.33Å; Q413-K416 PolarHBondContact O-N 2.87Å; Q413-D417 PolarHBondContact NE2-OD1 3.32Å; Q413-D417 WeakPolarHBondContact O-CB 3.44Å; Q413-D417 PolarHBondContact O-N 3.5Å
414A93.1Very high96.1Very high62 Ų6236.5 Ų36.551%0.51220%0.195SC..Hα-helixtrans-62.8-36.8177.400000113T412 K418T412-A414 PolarHBondContact O-N 3.06Å; A414-K418 WeakPolarHBondContact O-CG 3.29Å; A414-K418 PolarHBondContact O-N 2.65Å
415E95.6Very high95.4Very high67 Ų6737.7 Ų37.731%0.31320%0.204SC..Hα-helixtrans-70.3-43.5173.3-72.5167.3127.200111.4L411 T412 Q413 D417 K418 G419 T490L411-E415 HydrophobicContact CB-CB 4.03Å; L411-E415 HydrophobicContact CD1-CB 4.45Å; L411-E415 HydrophobicContact CD2-CB 4.5Å; T412-E415 WeakPolarHBondContact CB-OE2 3.43Å; T412-E415 WeakPolarHBondContact CG2-OE2 3.44Å; T412-E415 PolarHBondContact N-OE2 3.2Å; T412-E415 PolarHBondContact O-N 2.95Å; T412-E415 VanDerWaalsContact O-N 3.15Å; T412-E415 VanDerWaalsContact OG1-CG 3.26Å; T412-E415 WeakPolarHBondContact OG1-CG 3.48Å; T412-E415 PolarHBondContact OG1-N 3.37Å; T412-E415 PolarHBondContact OG1-OE2 2.95Å; Q413-E415 VanDerWaalsContact C-N 3.33Å; Q413-E415 PolarHBondContact O-N 3.33Å; E415-D417 VanDerWaalsContact C-N 3.32Å; E415-D417 PolarHBondContact O-N 3.37Å; E415-K418 PolarHBondContact O-N 2.95Å; E415-G419 PolarHBondContact O-N 3.41Å; E415-T490 WeakPolarHBondContact CB-OG1 3.43Å
416K96.1Very high94.9Very high45 Ų4538.1 Ų38.120%0.19621%0.209CC..Hα-helixtrans-60-40.7176.3-70175.4170.8142.70112.1I408 A409 L411 T412 Q413 K418 G419 I441I408-K416 WeakPolarHBondContact O-CE 3.44Å; A409-K416 PolarHBondContact O-NZ 3.35Å; L411-K416 HydrophobicContact CB-CG 3.85Å; L411-K416 WeakPolarHBondContact O-CE 3.39Å; L411-K416 PolarHBondContact O-NZ 2.95Å; T412-K416 WeakPolarHBondContact O-CG 3.47Å; T412-K416 PolarHBondContact O-N 3.43Å; Q413-K416 PolarHBondContact O-N 2.87Å; K416-K418 VanDerWaalsContact C-N 3.32Å; K416-K418 PolarHBondContact O-N 2.94Å; K416-G419 PolarHBondContact O-N 2.88Å; K416-I441 HydrophobicContact CB-CD1 4.09Å; K416-I441 HydrophobicContact CB-CG1 4.17Å; K416-I441 HydrophobicContact CD-CD1 4Å; K416-I441 HydrophobicContact CG-CD1 3.68Å; K416-I441 HydrophobicContact CG-CG1 4.31Å
417D94Very high94.7Very high115 Ų11538.8 Ų38.862%0.61521%0.213SC*.Hα-helixtrans-67-32.3179.7-67.6-17.4000112.4Q413 E415 G419Q413-D417 PolarHBondContact NE2-OD1 3.32Å; Q413-D417 WeakPolarHBondContact O-CB 3.44Å; Q413-D417 PolarHBondContact O-N 3.5Å; E415-D417 VanDerWaalsContact C-N 3.32Å; E415-D417 PolarHBondContact O-N 3.37Å; D417-G419 PolarHBondContact O-N 2.91Å
418K94.4Very high94.5Very high130 Ų13037.4 Ų37.457%0.56521%0.207SC*.Hα-helixtrans-74.1-17172.3-70179.8-175.5-179.30113A414 E415 K416 G488A414-K418 WeakPolarHBondContact O-CG 3.29Å; A414-K418 PolarHBondContact O-N 2.65Å; E415-K418 PolarHBondContact O-N 2.95Å; K416-K418 VanDerWaalsContact C-N 3.32Å; K416-K418 PolarHBondContact O-N 2.94Å; K418-G488 WeakPolarHBondContact CD-O 3.29Å
419G95.8Very high94.4Very high2 Ų237.4 Ų37.42%0.02121%0.207CC..  trans83.4179.6-175.400000113.3E415 K416 D417 Q442 V489 T490E415-G419 PolarHBondContact O-N 3.41Å; K416-G419 PolarHBondContact O-N 2.88Å; D417-G419 PolarHBondContact O-N 2.91Å; G419-Q442 CarbonylContact C-O 3.58Å; G419-Q442 WeakPolarHBondContact CA-O 3.33Å; G419-V489 VanDerWaalsContact C-CG2 3.43Å; G419-V489 WeakPolarHBondContact O-CG2 3.31Å; G419-T490 PolarHBondContact O-N 2.98Å
420V98.2Very high94.4Very high0 Ų036.6 Ų36.60%020%0.199CC..EExtended strand (participates in β ladder)trans-124.3151.3-176.8-610000111.8I408 L411 V432 S436 I441 Q442 S443 T444 T490 I492I408-V420 HydrophobicContact CD1-CG2 4.35Å; I408-V420 HydrophobicContact CG1-CG1 4.46Å; L411-V420 HydrophobicContact CD1-CG1 3.56Å; V420-V432 HydrophobicContact CG2-CG1 4.07Å; V420-S436 VanDerWaalsContact CG2-OG 3.31Å; V420-S436 WeakPolarHBondContact CG2-OG 3.35Å; V420-I441 HydrophobicContact CG1-CG2 4.18Å; V420-I441 HydrophobicContact CG2-CG2 4.3Å; V420-Q442 PolarHBondContact N-O 3.46Å; V420-S443 WeakPolarHBondContact O-CA 3.31Å; V420-T444 PolarHBondContact O-N 3.35Å; V420-T490 CarbonylContact C-O 3.56Å; V420-T490 VanDerWaalsContact CA-O 3.28Å; V420-T490 WeakPolarHBondContact CA-O 3.19Å; V420-I492 HydrophobicContact CB-CD1 4.1Å; V420-I492 HydrophobicContact CB-CG1 3.79Å; V420-I492 HydrophobicContact CG1-CD1 3.89Å; V420-I492 HydrophobicContact CG1-CG1 4.15Å; V420-I492 HydrophobicContact CG2-CG1 4.45Å
421I98.4Very high94.4Very high1 Ų134.1 Ų34.11%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-132.4146175.7-165.2171000111.3T444 V446 I483 V484 V489 T490 Y491 I492I421-T444 VanDerWaalsContact CA-O 3.24Å; I421-T444 WeakPolarHBondContact CA-O 3.41Å; I421-T444 HydrophobicContact CD1-CG2 4.13Å; I421-T444 HydrophobicContact CG1-CG2 4.18Å; I421-T444 WeakPolarHBondContact CG1-O 3.4Å; I421-V446 HydrophobicContact CD1-CG2 3.97Å; I421-V446 HydrophobicContact CG1-CG2 4.31Å; I421-I483 HydrophobicContact CD1-CB 3.99Å; I421-I483 HydrophobicContact CD1-CD1 4.2Å; I421-I483 HydrophobicContact CD1-CG2 3.68Å; I421-V484 HydrophobicContact CG2-CG2 3.47Å; I421-V484 VanDerWaalsContact CG2-CG2 3.47Å; I421-V489 HydrophobicContact CB-CG1 3.89Å; I421-V489 HydrophobicContact CB-CG2 4.2Å; I421-V489 HydrophobicContact CD1-CG1 4.38Å; I421-V489 HydrophobicContact CG2-CG1 3.5Å; I421-V489 VanDerWaalsContact CG2-CG1 3.5Å; I421-V489 HydrophobicContact CG2-CG2 4.37Å; I421-T490 PolarHBondContact N-O 2.9Å; I421-Y491 HydrophobicContact CG2-CD2 4.28Å; I421-Y491 CarbonylContact O-C 3.57Å; I421-Y491 WeakPolarHBondContact O-CA 3.42Å; I421-I492 PolarHBondContact O-N 3.29Å
422A97.7Very high94.5Very high0 Ų033.6 Ų33.60%018%0.184CC..EExtended strand (participates in β ladder)trans-144.1155.2170.300000111.3V432 T444 I445 V446A422-V432 HydrophobicContact CB-CB 4.49Å; A422-V432 HydrophobicContact CB-CG1 4.36Å; A422-V432 HydrophobicContact CB-CG2 4.08Å; A422-T444 PolarHBondContact N-O 3.07Å; A422-T444 VanDerWaalsContact N-O 3.09Å; A422-I445 HydrophobicContact CB-CD1 3.93Å; A422-I445 WeakPolarHBondContact O-CA 3.36Å; A422-V446 PolarHBondContact O-N 2.87Å
423V95.5Very high94.6Very high2 Ų229.9 Ų29.91%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-109.5114170.562.40000109.6V446 F473 A476 K477 C480 Y491V423-V446 WeakPolarHBondContact CA-O 3.39Å; V423-V446 HydrophobicContact CG2-CB 4.43Å; V423-F473 HydrophobicContact CG1-CE2 4.37Å; V423-F473 HydrophobicContact CG1-CZ 4.2Å; V423-F473 HydrophobicContact CG2-CD2 4.4Å; V423-F473 HydrophobicContact CG2-CE2 3.99Å; V423-A476 HydrophobicContact CG2-CB 3.99Å; V423-K477 HydrophobicContact CG1-CB 4.21Å; V423-K477 HydrophobicContact CG1-CG 4.19Å; V423-K477 HydrophobicContact CG2-CB 4.32Å; V423-C480 HydrophobicContact CB-CB 4.03Å; V423-Y491 HydrophobicContact CG1-CE2 4.12Å
424S92.6Very high94.8Very high19 Ų1925.1 Ų25.113%0.13314%0.14CC..  trans-173.3138.7175.2-174.10000110.1G426 A429 V446 M447S424-G426 VanDerWaalsContact C-N 3.34Å; S424-G426 PolarHBondContact OG-N 2.87Å; S424-G426 VanDerWaalsContact OG-N 3.14Å; S424-A429 WeakPolarHBondContact O-CB 3.32Å; S424-V446 PolarHBondContact N-O 3.47Å; S424-V446 VanDerWaalsContact N-O 3.15Å; S424-M447 WeakPolarHBondContact O-CG 3.36Å
425A81.3Confident95Very high25 Ų2522.2 Ų22.221%0.20712%0.115CC..SBendtrans-929.4168.900000113M447 A451 K455A425-M447 HydrophobicContact CB-SD 4.48Å; A425-A451 HydrophobicContact CB-CB 3.9Å; A425-K455 WeakPolarHBondContact O-CB 3.32Å; A425-K455 WeakPolarHBondContact O-CD 3.49Å
426G88Confident95.1Very high10 Ų1019 Ų1910%0.10310%0.101CC..SBendtrans-139.3-141.5-166.300000115.2S424 H428 A429 Q430S424-G426 VanDerWaalsContact C-N 3.34Å; S424-G426 PolarHBondContact OG-N 2.87Å; S424-G426 VanDerWaalsContact OG-N 3.14Å; G426-H428 VanDerWaalsContact C-N 3.27Å; G426-H428 PolarHBondContact O-N 2.87Å; G426-A429 WeakPolarHBondContact O-CB 3.36Å; G426-A429 PolarHBondContact O-N 3.29Å; G426-A429 VanDerWaalsContact O-N 3.1Å; G426-Q430 PolarHBondContact O-N 3.39Å
427N94Very high95.2Very high15 Ų1522.9 Ų22.98%0.0812%0.117CC..Hα-helixtrans-56.5-36.8-171.9-71-13.5000114.3S398 K400 G431 E623 N655S398-N427 VanDerWaalsContact OG-CB 3.31Å; S398-N427 WeakPolarHBondContact OG-CB 3.28Å; K400-N427 HydrophobicContact CB-CB 4.08Å; K400-N427 WeakPolarHBondContact CB-O 3.26Å; K400-N427 HydrophobicContact CG-CB 3.6Å; N427-G431 PolarHBondContact O-N 2.77Å; N427-E623 PolarHBondContact ND2-OE1 3.24Å; N427-E623 PolarHBondContact ND2-OE2 3.05Å; N427-N655 WeakPolarHBondContact OD1-CB 3.31Å; N427-N655 PolarHBondContact OD1-ND2 2.96Å
428H95.4Very high95.3Very high4 Ų420.1 Ų20.12%0.01910%0.103CC..Hα-helixtrans-65.9-42.7178.2-173.956.5000112.1G426 Q430 G431 V432 I492 P493 P494G426-H428 VanDerWaalsContact C-N 3.27Å; G426-H428 PolarHBondContact O-N 2.87Å; H428-Q430 PolarHBondContact O-N 3.28Å; H428-G431 PolarHBondContact O-N 3.18Å; H428-V432 WeakPolarHBondContact O-CG2 3.28Å; H428-V432 PolarHBondContact O-N 2.87Å; H428-I492 PolarHBondContact NE2-O 2.92Å; H428-P493 PolarHBondContact CE1-O 3.45Å; H428-P493 PolarHBondContact NE2-O 3.15Å; H428-P494 HydrophobicContact CB-CB 4.14Å; H428-P494 VanDerWaalsContact CE1-CA 3.49Å; H428-P494 WeakPolarHBondContact CE1-CA 3.39Å
429A95.5Very high95.3Very high0 Ų016.6 Ų16.60%09%0.089CC..Hα-helixtrans-59.3-46.4177.300000112.4S424 G426 V432 A433 I445 M447 T459S424-A429 WeakPolarHBondContact O-CB 3.32Å; G426-A429 WeakPolarHBondContact O-CB 3.36Å; G426-A429 PolarHBondContact O-N 3.29Å; G426-A429 VanDerWaalsContact O-N 3.1Å; A429-V432 PolarHBondContact O-N 3.02Å; A429-A433 WeakPolarHBondContact O-CB 3.38Å; A429-A433 PolarHBondContact O-N 2.91Å; A429-I445 HydrophobicContact CB-CD1 4.36Å; A429-I445 HydrophobicContact CB-CG1 4.43Å; A429-I445 HydrophobicContact CB-CG2 3.53Å; A429-M447 HydrophobicContact CB-CE 3.89Å; A429-T459 HydrophobicContact CB-CG2 4.26Å
430Q95.7Very high95.3Very high10 Ų1019.9 Ų19.95%0.04712%0.124CC..Hα-helixtrans-66.5-40177.9-63.3-173.341.100111.7T396 G426 H428 A433 L434 Y462T396-Q430 HydrophobicContact CG2-CB 4.15Å; T396-Q430 WeakPolarHBondContact CG2-O 3.14Å; G426-Q430 PolarHBondContact O-N 3.39Å; H428-Q430 PolarHBondContact O-N 3.28Å; Q430-A433 PolarHBondContact O-N 3.07Å; Q430-L434 WeakPolarHBondContact O-CB 3.38Å; Q430-L434 PolarHBondContact O-N 2.78Å; Q430-Y462 HydrophobicContact CB-CD2 4.37Å; Q430-Y462 HydrophobicContact CB-CE2 4.07Å; Q430-Y462 HydrophobicContact CG-CE2 4.33Å
431G96.9Very high95.1Very high0 Ų020.8 Ų20.80%013%0.128CC..Hα-helixtrans-58.3-47.6175.600000112.7N427 H428 T435N427-G431 PolarHBondContact O-N 2.77Å; H428-G431 PolarHBondContact O-N 3.18Å; G431-T435 VanDerWaalsContact O-CB 3.25Å; G431-T435 WeakPolarHBondContact O-CB 3.23Å; G431-T435 PolarHBondContact O-N 2.87Å; G431-T435 VanDerWaalsContact O-N 3.1Å; G431-T435 PolarHBondContact O-OG1 2.94Å
432V98.1Very high95.1Very high0 Ų028.2 Ų28.20%016%0.163CC..Hα-helixtrans-64.7-45.1175.3171.70000111A404 I408 V420 A422 H428 A429 T435 S436 I445 I492A404-V432 HydrophobicContact CB-CG2 4.04Å; I408-V432 HydrophobicContact CD1-CG1 4.15Å; V420-V432 HydrophobicContact CG2-CG1 4.07Å; A422-V432 HydrophobicContact CB-CB 4.49Å; A422-V432 HydrophobicContact CB-CG1 4.36Å; A422-V432 HydrophobicContact CB-CG2 4.08Å; H428-V432 WeakPolarHBondContact O-CG2 3.28Å; H428-V432 PolarHBondContact O-N 2.87Å; A429-V432 PolarHBondContact O-N 3.02Å; V432-T435 PolarHBondContact O-N 2.71Å; V432-S436 WeakPolarHBondContact O-CB 3.48Å; V432-S436 PolarHBondContact O-N 3.47Å; V432-S436 PolarHBondContact O-OG 3.22Å; V432-I445 HydrophobicContact CB-CD1 4.07Å; V432-I445 HydrophobicContact CG1-CD1 3.86Å; V432-I492 HydrophobicContact CG2-CB 4.07Å; V432-I492 HydrophobicContact CG2-CG2 3.86Å
433A97.7Very high95.1Very high0 Ų028.8 Ų28.80%017%0.167CC..Hα-helixtrans-62.3-50-178.100000112.6A429 Q430 T435 S436 K437 T459 Y462 S464A429-A433 WeakPolarHBondContact O-CB 3.38Å; A429-A433 PolarHBondContact O-N 2.91Å; Q430-A433 PolarHBondContact O-N 3.07Å; A433-T435 PolarHBondContact O-N 3.08Å; A433-S436 PolarHBondContact O-N 2.71Å; A433-K437 PolarHBondContact O-N 2.94Å; A433-T459 HydrophobicContact CB-CG2 3.98Å; A433-Y462 HydrophobicContact CB-CD2 4.33Å; A433-Y462 HydrophobicContact CB-CG 4.43Å; A433-S464 VanDerWaalsContact CA-OG 3.22Å; A433-S464 WeakPolarHBondContact CA-OG 3.48Å; A433-S464 WeakPolarHBondContact CB-OG 3.33Å
434L97.3Very high95.2Very high21 Ų2130.1 Ų30.111%0.1118%0.175CC..Hα-helixtrans-64-43.617817761.1000111.4L395 T396 F401 Q430 S436 K437 L438 Y462L395-L434 HydrophobicContact CB-CD2 3.73Å; L395-L434 HydrophobicContact CD1-CD2 4.26Å; L395-L434 HydrophobicContact CG-CD2 4.48Å; T396-L434 HydrophobicContact CG2-CB 3.66Å; T396-L434 HydrophobicContact CG2-CD2 3.49Å; T396-L434 VanDerWaalsContact CG2-CD2 3.49Å; T396-L434 HydrophobicContact CG2-CG 4.22Å; F401-L434 HydrophobicContact CD2-CD2 4.03Å; F401-L434 HydrophobicContact CD2-CG 4.42Å; F401-L434 HydrophobicContact CE2-CD2 4Å; F401-L434 HydrophobicContact CE2-CG 4.14Å; Q430-L434 WeakPolarHBondContact O-CB 3.38Å; Q430-L434 PolarHBondContact O-N 2.78Å; L434-S436 VanDerWaalsContact C-N 3.31Å; L434-S436 PolarHBondContact O-N 3.44Å; L434-K437 PolarHBondContact O-N 3.04Å; L434-L438 HydrophobicContact CD1-CD1 4.19Å; L434-L438 HydrophobicContact CD1-CG 4.1Å; L434-L438 HydrophobicContact CG-CD1 3.99Å; L434-L438 HydrophobicContact CG-CG 4.34Å; L434-L438 VanDerWaalsContact O-CG 3.31Å; L434-L438 WeakPolarHBondContact O-CG 3.28Å; L434-L438 PolarHBondContact O-N 3.31Å; L434-Y462 HydrophobicContact CB-CD1 3.91Å; L434-Y462 HydrophobicContact CB-CD2 4.4Å; L434-Y462 HydrophobicContact CB-CE1 4.17Å; L434-Y462 HydrophobicContact CB-CG 4.04Å; L434-Y462 HydrophobicContact CD1-CD1 3.67Å; L434-Y462 HydrophobicContact CD1-CE1 3.84Å; L434-Y462 HydrophobicContact CD2-CE1 4.34Å; L434-Y462 HydrophobicContact CG-CD1 4.29Å; L434-Y462 HydrophobicContact CG-CE1 4.33Å
435T97.5Very high95.5Very high0 Ų029.2 Ų29.20%017%0.169CC..Hα-helixtrans-57.3-47.1177.1-64.30000111.3F405 I408 G431 V432 A433 K437 L438 L439F405-T435 HydrophobicContact CB-CG2 4.25Å; F405-T435 HydrophobicContact CD2-CG2 3.72Å; F405-T435 HydrophobicContact CE2-CG2 4.39Å; F405-T435 HydrophobicContact CG-CG2 4.31Å; I408-T435 HydrophobicContact CB-CG2 3.74Å; I408-T435 HydrophobicContact CD1-CG2 3.55Å; I408-T435 HydrophobicContact CG1-CG2 4.17Å; I408-T435 HydrophobicContact CG2-CG2 4Å; G431-T435 VanDerWaalsContact O-CB 3.25Å; G431-T435 WeakPolarHBondContact O-CB 3.23Å; G431-T435 PolarHBondContact O-N 2.87Å; G431-T435 VanDerWaalsContact O-N 3.1Å; G431-T435 PolarHBondContact O-OG1 2.94Å; V432-T435 PolarHBondContact O-N 2.71Å; A433-T435 PolarHBondContact O-N 3.08Å; T435-K437 VanDerWaalsContact C-N 3.33Å; T435-K437 PolarHBondContact O-N 3Å; T435-L438 PolarHBondContact O-N 3.24Å; T435-L438 VanDerWaalsContact O-N 3.16Å; T435-L439 HydrophobicContact CG2-CD1 3.89Å; T435-L439 HydrophobicContact CG2-CG 4.5Å; T435-L439 WeakPolarHBondContact O-CG 3.44Å; T435-L439 PolarHBondContact O-N 2.73Å
436S97.5Very high96.3Very high0 Ų028 Ų280%016%0.159CC..Hα-helixtrans-63.9-40.4-178-550000111.1V420 V432 A433 L434 L439 G440 I441 S443V420-S436 VanDerWaalsContact CG2-OG 3.31Å; V420-S436 WeakPolarHBondContact CG2-OG 3.35Å; V432-S436 WeakPolarHBondContact O-CB 3.48Å; V432-S436 PolarHBondContact O-N 3.47Å; V432-S436 PolarHBondContact O-OG 3.22Å; A433-S436 PolarHBondContact O-N 2.71Å; L434-S436 VanDerWaalsContact C-N 3.31Å; L434-S436 PolarHBondContact O-N 3.44Å; S436-L439 CarbonylContact O-C 3.59Å; S436-L439 PolarHBondContact O-N 3.42Å; S436-G440 PolarHBondContact O-N 3.42Å; S436-I441 WeakPolarHBondContact CB-O 3.3Å; S436-I441 PolarHBondContact O-N 3.44Å; S436-S443 VanDerWaalsContact CB-CB 3.45Å; S436-S443 VanDerWaalsContact CB-OG 3.3Å; S436-S443 WeakPolarHBondContact CB-OG 3.32Å; S436-S443 WeakPolarHBondContact OG-CB 3.39Å
437K97.1Very high96.6Very high126 Ų12627.5 Ų27.555%0.54815%0.154SC..Hα-helixtrans-61.3-44.2171.7-179.8171-179172.80113.2A433 L434 T435 L439 G440 G461 Y462A433-K437 PolarHBondContact O-N 2.94Å; L434-K437 PolarHBondContact O-N 3.04Å; T435-K437 VanDerWaalsContact C-N 3.33Å; T435-K437 PolarHBondContact O-N 3Å; K437-L439 VanDerWaalsContact C-N 3.28Å; K437-L439 PolarHBondContact O-N 3.1Å; K437-G440 PolarHBondContact O-N 2.82Å; K437-G461 PolarHBondContact NZ-O 3.4Å; K437-Y462 VanDerWaalsContact CB-O 3.28Å; K437-Y462 WeakPolarHBondContact CB-O 3.25Å; K437-Y462 VanDerWaalsContact CD-O 3.26Å; K437-Y462 WeakPolarHBondContact CD-O 3.41Å
438L96.3Very high96.6Very high58 Ų5827.4 Ų27.430%0.30415%0.154SC..Hα-helixtrans-64.9-33.7179.4-71.3172000112.2Y366 F401 L434 T435Y366-L438 HydrophobicContact CD1-CD1 4.19Å; Y366-L438 HydrophobicContact CD1-CD2 4.07Å; Y366-L438 HydrophobicContact CD2-CD1 4.3Å; Y366-L438 HydrophobicContact CE1-CD2 4.09Å; Y366-L438 HydrophobicContact CE2-CB 4.46Å; Y366-L438 HydrophobicContact CG-CD1 3.93Å; F401-L438 HydrophobicContact CE2-CD1 3.88Å; F401-L438 HydrophobicContact CZ-CD1 3.95Å; L434-L438 HydrophobicContact CD1-CD1 4.19Å; L434-L438 HydrophobicContact CD1-CG 4.1Å; L434-L438 HydrophobicContact CG-CD1 3.99Å; L434-L438 HydrophobicContact CG-CG 4.34Å; L434-L438 VanDerWaalsContact O-CG 3.31Å; L434-L438 WeakPolarHBondContact O-CG 3.28Å; L434-L438 PolarHBondContact O-N 3.31Å; T435-L438 PolarHBondContact O-N 3.24Å; T435-L438 VanDerWaalsContact O-N 3.16Å
439L95.3Very high96.4Very high55 Ų5533.3 Ų33.329%0.28818%0.181SC..Hα-helixtrans-95.9-0.8-178.9-62.4179.7000113.9F405 I408 T435 S436 K437 I441F405-L439 HydrophobicContact CE2-CD1 4.24Å; F405-L439 HydrophobicContact CE2-CD2 4.09Å; F405-L439 HydrophobicContact CE2-CG 4.13Å; F405-L439 HydrophobicContact CZ-CD2 4.06Å; I408-L439 HydrophobicContact CB-CD1 4.4Å; I408-L439 HydrophobicContact CG2-CD1 3.78Å; T435-L439 HydrophobicContact CG2-CD1 3.89Å; T435-L439 HydrophobicContact CG2-CG 4.5Å; T435-L439 WeakPolarHBondContact O-CG 3.44Å; T435-L439 PolarHBondContact O-N 2.73Å; S436-L439 CarbonylContact O-C 3.59Å; S436-L439 PolarHBondContact O-N 3.42Å; K437-L439 VanDerWaalsContact C-N 3.28Å; K437-L439 PolarHBondContact O-N 3.1Å; L439-I441 VanDerWaalsContact C-N 3.34Å; L439-I441 HydrophobicContact CB-CD1 3.7Å; L439-I441 HydrophobicContact CB-CG1 4.1Å; L439-I441 HydrophobicContact CD1-CD1 4.2Å; L439-I441 PolarHBondContact O-N 3.49Å
440G95Very high96Very high72 Ų7238.3 Ų38.374%0.74221%0.212SC*.THydrogen-bonded Turntrans68.728.1-179.900000114.4S436 K437S436-G440 PolarHBondContact O-N 3.42Å; K437-G440 PolarHBondContact O-N 2.82Å
441I95.5Very high95.6Very high19 Ų1938.5 Ų38.510%0.09722%0.216CC..  trans-100.8141.7-176.9-62.7164000109.5I408 K416 V420 S436 L439 S443I408-I441 HydrophobicContact CG2-CD1 3.47Å; I408-I441 VanDerWaalsContact CG2-CD1 3.47Å; K416-I441 HydrophobicContact CB-CD1 4.09Å; K416-I441 HydrophobicContact CB-CG1 4.17Å; K416-I441 HydrophobicContact CD-CD1 4Å; K416-I441 HydrophobicContact CG-CD1 3.68Å; K416-I441 HydrophobicContact CG-CG1 4.31Å; V420-I441 HydrophobicContact CG1-CG2 4.18Å; V420-I441 HydrophobicContact CG2-CG2 4.3Å; S436-I441 WeakPolarHBondContact CB-O 3.3Å; S436-I441 PolarHBondContact O-N 3.44Å; L439-I441 VanDerWaalsContact C-N 3.34Å; L439-I441 HydrophobicContact CB-CD1 3.7Å; L439-I441 HydrophobicContact CB-CG1 4.1Å; L439-I441 HydrophobicContact CD1-CD1 4.2Å; L439-I441 PolarHBondContact O-N 3.49Å; I441-S443 PolarHBondContact O-N 2.94Å
442Q96.6Very high94.9Very high157 Ų15741 Ų4173%0.73423%0.232SC*.  trans-70.2130.2172.6-68.7-169.53.700110.6G419 V420G419-Q442 CarbonylContact C-O 3.58Å; G419-Q442 WeakPolarHBondContact CA-O 3.33Å; V420-Q442 PolarHBondContact N-O 3.46Å
443S97.9Very high94.2Very high11 Ų1148.2 Ų48.28%0.07726%0.263CS..EExtended strand (participates in β ladder)trans-126.8135.7178.149.80000112.9V420 S436 I441 S464 K465V420-S443 WeakPolarHBondContact O-CA 3.31Å; S436-S443 VanDerWaalsContact CB-CB 3.45Å; S436-S443 VanDerWaalsContact CB-OG 3.3Å; S436-S443 WeakPolarHBondContact CB-OG 3.32Å; S436-S443 WeakPolarHBondContact OG-CB 3.39Å; I441-S443 PolarHBondContact O-N 2.94Å; S443-S464 WeakPolarHBondContact CB-OG 3.11Å; S443-S464 WeakPolarHBondContact O-CA 3.39Å; S443-S464 PolarHBondContact OG-OG 2.92Å; S443-K465 PolarHBondContact O-N 2.93Å
444T98.2Very high93.5Very high30 Ų3051 Ų5118%0.18429%0.286CS..EExtended strand (participates in β ladder)trans-115.3134171.8-60.80000109.7V420 I421 A422 K465 I467V420-T444 PolarHBondContact O-N 3.35Å; I421-T444 VanDerWaalsContact CA-O 3.24Å; I421-T444 WeakPolarHBondContact CA-O 3.41Å; I421-T444 HydrophobicContact CD1-CG2 4.13Å; I421-T444 HydrophobicContact CG1-CG2 4.18Å; I421-T444 WeakPolarHBondContact CG1-O 3.4Å; A422-T444 PolarHBondContact N-O 3.07Å; A422-T444 VanDerWaalsContact N-O 3.09Å; T444-K465 CarbonylContact C-O 3.09Å; T444-K465 VanDerWaalsContact CA-O 3.3Å; T444-K465 WeakPolarHBondContact CA-O 3.25Å; T444-I467 HydrophobicContact CG2-CD1 3.55Å; T444-I467 HydrophobicContact CG2-CG1 3.99Å
445I98.1Very high92.8Very high0 Ų051.4 Ų51.40%029%0.287CS..EExtended strand (participates in β ladder)trans-120.4121.3176.6-57-62.9000109.1A422 A429 V432 M447 T459 K465 V466 I467A422-I445 HydrophobicContact CB-CD1 3.93Å; A422-I445 WeakPolarHBondContact O-CA 3.36Å; A429-I445 HydrophobicContact CB-CD1 4.36Å; A429-I445 HydrophobicContact CB-CG1 4.43Å; A429-I445 HydrophobicContact CB-CG2 3.53Å; V432-I445 HydrophobicContact CB-CD1 4.07Å; V432-I445 HydrophobicContact CG1-CD1 3.86Å; I445-M447 HydrophobicContact CB-CE 4.37Å; I445-M447 HydrophobicContact CG2-CE 3.48Å; I445-M447 VanDerWaalsContact CG2-CE 3.48Å; I445-M447 HydrophobicContact CG2-CG 3.92Å; I445-T459 HydrophobicContact CB-CG2 4.05Å; I445-T459 HydrophobicContact CG1-CG2 3.69Å; I445-T459 HydrophobicContact CG2-CG2 4.23Å; I445-K465 PolarHBondContact N-O 3.25Å; I445-V466 HydrophobicContact CB-CG2 4.45Å; I445-V466 CarbonylContact O-C 3.59Å; I445-V466 WeakPolarHBondContact O-CA 3.44Å; I445-I467 PolarHBondContact O-N 2.69Å
446V98Very high92.5Very high0 Ų052.1 Ų52.10%029%0.291CS..EExtended strand (participates in β ladder)trans-92.7130.2174.1-168.70000109.1I421 A422 V423 S424 I467 H469 A476 Y479 C480 I483I421-V446 HydrophobicContact CD1-CG2 3.97Å; I421-V446 HydrophobicContact CG1-CG2 4.31Å; A422-V446 PolarHBondContact O-N 2.87Å; V423-V446 WeakPolarHBondContact CA-O 3.39Å; V423-V446 HydrophobicContact CG2-CB 4.43Å; S424-V446 PolarHBondContact N-O 3.47Å; S424-V446 VanDerWaalsContact N-O 3.15Å; V446-I467 WeakPolarHBondContact CA-O 3.45Å; V446-H469 HydrophobicContact CG1-CB 4.46Å; V446-A476 HydrophobicContact CG1-CB 4.13Å; V446-A476 WeakPolarHBondContact CG1-O 3.2Å; V446-Y479 HydrophobicContact CG1-CD1 4.06Å; V446-C480 HydrophobicContact CB-CB 4.12Å; V446-C480 HydrophobicContact CG2-CB 3.87Å; V446-I483 HydrophobicContact CG2-CD1 4.4Å
447M95.5Very high92.1Very high0 Ų056.5 Ų56.50%031%0.312CS..EExtended strand (participates in β ladder)trans-133.5152.9177.9-52.9-168.9-178.200110.1S424 A425 A429 I445 A451 V456 T459 V466 I467 L468 H469S424-M447 WeakPolarHBondContact O-CG 3.36Å; A425-M447 HydrophobicContact CB-SD 4.48Å; A429-M447 HydrophobicContact CB-CE 3.89Å; I445-M447 HydrophobicContact CB-CE 4.37Å; I445-M447 HydrophobicContact CG2-CE 3.48Å; I445-M447 VanDerWaalsContact CG2-CE 3.48Å; I445-M447 HydrophobicContact CG2-CG 3.92Å; M447-A451 HydrophobicContact CB-CB 4Å; M447-A451 HydrophobicContact SD-CB 4.21Å; M447-V456 HydrophobicContact SD-CG2 3.87Å; M447-T459 HydrophobicContact CE-CG2 3.7Å; M447-T459 WeakPolarHBondContact CE-OG1 3.19Å; M447-V466 HydrophobicContact CE-CG1 4.28Å; M447-V466 HydrophobicContact CE-CG2 4.22Å; M447-V466 HydrophobicContact CG-CG1 4.07Å; M447-V466 HydrophobicContact SD-CG1 4.05Å; M447-I467 PolarHBondContact N-O 2.98Å; M447-L468 HydrophobicContact CB-CD2 3.92Å; M447-L468 CarbonylContact O-C 3.57Å; M447-L468 VanDerWaalsContact O-CA 3.32Å; M447-L468 WeakPolarHBondContact O-CA 2.95Å; M447-H469 PolarHBondContact O-N 2.77Å
448P93Very high91.7Very high12 Ų1252.1 Ų52.18%0.07830%0.299CS..  trans-63.8154167.928-34.7000111.2T450 A451 G470P448-T450 PolarHBondContact O-N 3.38Å; P448-T450 VanDerWaalsContact O-N 3.14Å; P448-A451 HydrophobicContact CG-CB 4.36Å; P448-A451 WeakPolarHBondContact O-CB 3.29Å; P448-A451 PolarHBondContact O-N 2.68Å; P448-G470 WeakPolarHBondContact CA-O 3Å
449E92.7Very high91.5Very high128 Ų12849.3 Ų49.360%0.59829%0.285SS*.THydrogen-bonded Turntrans-61.5-22176.2-67.7173.8-167.600112.8A451 L468 G470E449-A451 VanDerWaalsContact C-N 3.3Å; E449-L468 HydrophobicContact CG-CB 4.28Å; E449-G470 PolarHBondContact N-O 2.96Å
450T86.8Confident91.5Very high105 Ų10551.4 Ų51.464%0.64429%0.293SS*.THydrogen-bonded Turntrans-84.11.2177.154.70000113.8P448 A471P448-T450 PolarHBondContact O-N 3.38Å; P448-T450 VanDerWaalsContact O-N 3.14Å; T450-A471 WeakPolarHBondContact CG2-O 3.48Å; T450-A471 PolarHBondContact OG1-O 2.67Å
451A86.7Confident91.4Very high15 Ų1550.4 Ų50.412%0.12428%0.283CS..SBendtrans-59.5136.1-179.700000111.8A425 M447 P448 E449 K453 V456A425-A451 HydrophobicContact CB-CB 3.9Å; M447-A451 HydrophobicContact CB-CB 4Å; M447-A451 HydrophobicContact SD-CB 4.21Å; P448-A451 HydrophobicContact CG-CB 4.36Å; P448-A451 WeakPolarHBondContact O-CB 3.29Å; P448-A451 PolarHBondContact O-N 2.68Å; E449-A451 VanDerWaalsContact C-N 3.3Å; A451-K453 PolarHBondContact O-N 3.35Å; A451-V456 HydrophobicContact CB-CG2 4.07Å
452P82.6Confident91.4Very high53 Ų5352.5 Ų52.534%0.34429%0.29SS..  trans-57.9131.2178.6-24.833.4000111.9A454 K455 V456P452-A454 PolarHBondContact O-N 3.2Å; P452-A454 VanDerWaalsContact O-N 3.15Å; P452-K455 HydrophobicContact CB-CG 4.29Å; P452-K455 HydrophobicContact CG-CD 4.38Å; P452-K455 PolarHBondContact O-N 3.08Å; P452-V456 PolarHBondContact O-N 3.44Å
453K83.6Confident91.2Very high151 Ų15148 Ų4866%0.65729%0.285SS*.Hα-helixtrans-53.6-39.7-176.3-164.6-174.3-174.2-127.80113A451 K455 V456 E457A451-K453 PolarHBondContact O-N 3.35Å; K453-K455 VanDerWaalsContact C-N 3.29Å; K453-K455 PolarHBondContact O-N 2.9Å; K453-V456 WeakPolarHBondContact O-CB 3.3Å; K453-V456 PolarHBondContact O-N 3.4Å; K453-E457 WeakPolarHBondContact CE-OE1 3.43Å; K453-E457 HydrophobicContact CG-CG 4.31Å; K453-E457 IonicContact NZ-OE1 3.38Å; K453-E457 PolarHBondContact NZ-OE1 3.42Å; K453-E457 WeakPolarHBondContact O-CB 3.38Å; K453-E457 WeakPolarHBondContact O-CG 3.49Å; K453-E457 PolarHBondContact O-N 3.29Å
454A82.4Confident91.1Very high59 Ų5947.7 Ų47.749%0.48828%0.283SS..Hα-helixtrans-60.4-35.8177.100000113P452 A458P452-A454 PolarHBondContact O-N 3.2Å; P452-A454 VanDerWaalsContact O-N 3.15Å; A454-A458 VanDerWaalsContact O-CB 3.24Å; A454-A458 WeakPolarHBondContact O-CB 3.29Å; A454-A458 PolarHBondContact O-N 2.81Å
455K83.5Confident91Very high28 Ų2852.7 Ų52.712%0.12230%0.302CS..Hα-helixtrans-75.8-33.6178.4-62-167.7-177.5-1770111.6A425 P452 K453 T459 D577A425-K455 WeakPolarHBondContact O-CB 3.32Å; A425-K455 WeakPolarHBondContact O-CD 3.49Å; P452-K455 HydrophobicContact CB-CG 4.29Å; P452-K455 HydrophobicContact CG-CD 4.38Å; P452-K455 PolarHBondContact O-N 3.08Å; K453-K455 VanDerWaalsContact C-N 3.29Å; K453-K455 PolarHBondContact O-N 2.9Å; K455-T459 WeakPolarHBondContact O-CB 3.46Å; K455-T459 PolarHBondContact O-N 2.83Å; K455-T459 PolarHBondContact O-OG1 3.45Å; K455-D577 IonicContact NZ-OD2 3.56Å; K455-D577 PolarHBondContact NZ-OD2 3.07Å
456V89.9Confident91Very high15 Ų1553.7 Ų53.79%0.09131%0.309CS..Hα-helixtrans-63-56171176.80000110M447 A451 P452 K453 A458 T459 E460 V466 L468M447-V456 HydrophobicContact SD-CG2 3.87Å; A451-V456 HydrophobicContact CB-CG2 4.07Å; P452-V456 PolarHBondContact O-N 3.44Å; K453-V456 WeakPolarHBondContact O-CB 3.3Å; K453-V456 PolarHBondContact O-N 3.4Å; V456-A458 VanDerWaalsContact C-N 3.32Å; V456-A458 PolarHBondContact O-N 3.14Å; V456-T459 WeakPolarHBondContact O-CB 3.3Å; V456-T459 PolarHBondContact O-N 2.91Å; V456-E460 HydrophobicContact CG1-CG 4.4Å; V456-E460 PolarHBondContact O-N 3.11Å; V456-V466 HydrophobicContact CG1-CG1 4.14Å; V456-L468 HydrophobicContact CG2-CD2 4.06Å
457E89.6Confident90.9Very high92 Ų9255.2 Ų55.243%0.4332%0.317SS..Hα-helixtrans-59.6-39.7-179.2-72.1175.6174.800112.1K453 T459 G461K453-E457 WeakPolarHBondContact CE-OE1 3.43Å; K453-E457 HydrophobicContact CG-CG 4.31Å; K453-E457 IonicContact NZ-OE1 3.38Å; K453-E457 PolarHBondContact NZ-OE1 3.42Å; K453-E457 WeakPolarHBondContact O-CB 3.38Å; K453-E457 WeakPolarHBondContact O-CG 3.49Å; K453-E457 PolarHBondContact O-N 3.29Å; E457-T459 VanDerWaalsContact C-N 3.32Å; E457-T459 PolarHBondContact O-N 2.93Å; E457-G461 PolarHBondContact O-N 3.08Å
458A88.3Confident91Very high34 Ų3459.2 Ų59.228%0.28134%0.337SS..Hα-helixtrans-62.1-40.217500000112.2A454 V456 G461 Y462A454-A458 VanDerWaalsContact O-CB 3.24Å; A454-A458 WeakPolarHBondContact O-CB 3.29Å; A454-A458 PolarHBondContact O-N 2.81Å; V456-A458 VanDerWaalsContact C-N 3.32Å; V456-A458 PolarHBondContact O-N 3.14Å; A458-G461 PolarHBondContact O-N 2.8Å; A458-Y462 WeakPolarHBondContact O-CD2 3.23Å; A458-Y462 PolarHBondContact O-N 3.12Å
459T93.2Very high91.2Very high0 Ų062 Ų620%035%0.349CS..Hα-helixtrans-71-43.7179.9-57.80000111.4A429 A433 I445 M447 K455 V456 E457 G461 Y462 V466A429-T459 HydrophobicContact CB-CG2 4.26Å; A433-T459 HydrophobicContact CB-CG2 3.98Å; I445-T459 HydrophobicContact CB-CG2 4.05Å; I445-T459 HydrophobicContact CG1-CG2 3.69Å; I445-T459 HydrophobicContact CG2-CG2 4.23Å; M447-T459 HydrophobicContact CE-CG2 3.7Å; M447-T459 WeakPolarHBondContact CE-OG1 3.19Å; K455-T459 WeakPolarHBondContact O-CB 3.46Å; K455-T459 PolarHBondContact O-N 2.83Å; K455-T459 PolarHBondContact O-OG1 3.45Å; V456-T459 WeakPolarHBondContact O-CB 3.3Å; V456-T459 PolarHBondContact O-N 2.91Å; E457-T459 VanDerWaalsContact C-N 3.32Å; E457-T459 PolarHBondContact O-N 2.93Å; T459-G461 VanDerWaalsContact C-N 3.3Å; T459-G461 PolarHBondContact O-N 2.82Å; T459-Y462 PolarHBondContact O-N 3.15Å; T459-V466 HydrophobicContact CG2-CG2 3.84Å
460E95.3Very high91.1Very high98 Ų9856.5 Ų56.546%0.45833%0.327SS..Hα-helixtrans-64.6-33.8173.5-67.6-178.214500112V456 Y462 G463 V466V456-E460 HydrophobicContact CG1-CG 4.4Å; V456-E460 PolarHBondContact O-N 3.11Å; E460-Y462 PolarHBondContact O-N 2.95Å; E460-G463 WeakPolarHBondContact O-CA 3.15Å; E460-G463 PolarHBondContact O-N 3.49Å; E460-V466 HydrophobicContact CG-CB 3.99Å; E460-V466 HydrophobicContact CG-CG2 3.5Å
461G93.1Very high91.1Very high52 Ų5254.6 Ų54.654%0.53632%0.322SS..Hα-helixtrans-62.6-24.9175.100000113.7K437 E457 A458 T459 G463K437-G461 PolarHBondContact NZ-O 3.4Å; E457-G461 PolarHBondContact O-N 3.08Å; A458-G461 PolarHBondContact O-N 2.8Å; T459-G461 VanDerWaalsContact C-N 3.3Å; T459-G461 PolarHBondContact O-N 2.82Å; G461-G463 VanDerWaalsContact C-N 3.28Å
462Y93.8Very high90.9Very high63 Ų6354.9 Ų54.925%0.24733%0.326CS..THydrogen-bonded Turntrans-84.76168.6-63.1-57.5000113.4T396 Q430 A433 L434 K437 A458 T459 E460T396-Y462 HydrophobicContact CG2-CE2 4.21Å; Q430-Y462 HydrophobicContact CB-CD2 4.37Å; Q430-Y462 HydrophobicContact CB-CE2 4.07Å; Q430-Y462 HydrophobicContact CG-CE2 4.33Å; A433-Y462 HydrophobicContact CB-CD2 4.33Å; A433-Y462 HydrophobicContact CB-CG 4.43Å; L434-Y462 HydrophobicContact CB-CD1 3.91Å; L434-Y462 HydrophobicContact CB-CD2 4.4Å; L434-Y462 HydrophobicContact CB-CE1 4.17Å; L434-Y462 HydrophobicContact CB-CG 4.04Å; L434-Y462 HydrophobicContact CD1-CD1 3.67Å; L434-Y462 HydrophobicContact CD1-CE1 3.84Å; L434-Y462 HydrophobicContact CD2-CE1 4.34Å; L434-Y462 HydrophobicContact CG-CD1 4.29Å; L434-Y462 HydrophobicContact CG-CE1 4.33Å; K437-Y462 VanDerWaalsContact CB-O 3.28Å; K437-Y462 WeakPolarHBondContact CB-O 3.25Å; K437-Y462 VanDerWaalsContact CD-O 3.26Å; K437-Y462 WeakPolarHBondContact CD-O 3.41Å; A458-Y462 WeakPolarHBondContact O-CD2 3.23Å; A458-Y462 PolarHBondContact O-N 3.12Å; T459-Y462 PolarHBondContact O-N 3.15Å; E460-Y462 PolarHBondContact O-N 2.95Å
463G92.2Very high91Very high61 Ų6157.2 Ų57.263%0.62933%0.331SS*.THydrogen-bonded Turntrans85.85172.600000115.4E460 G461E460-G463 WeakPolarHBondContact O-CA 3.15Å; E460-G463 PolarHBondContact O-N 3.49Å; G461-G463 VanDerWaalsContact C-N 3.28Å
464S96.2Very high91.1Very high6 Ų655.5 Ų55.54%0.04233%0.329CS..PPolyproline II helixtrans-72.3143.4172.6-80.60000111.6A433 S443 V466A433-S464 VanDerWaalsContact CA-OG 3.22Å; A433-S464 WeakPolarHBondContact CA-OG 3.48Å; A433-S464 WeakPolarHBondContact CB-OG 3.33Å; S443-S464 WeakPolarHBondContact CB-OG 3.11Å; S443-S464 WeakPolarHBondContact O-CA 3.39Å; S443-S464 PolarHBondContact OG-OG 2.92Å; S464-V466 PolarHBondContact O-N 2.84Å
465K97.2Very high91.5Very high134 Ų13457 Ų5758%0.58333%0.326SS*.EExtended strand (participates in β ladder)trans-73.4118.9164.2-179.7-177178.3-174.80108.9S443 T444 I445S443-K465 PolarHBondContact O-N 2.93Å; T444-K465 CarbonylContact C-O 3.09Å; T444-K465 VanDerWaalsContact CA-O 3.3Å; T444-K465 WeakPolarHBondContact CA-O 3.25Å; I445-K465 PolarHBondContact N-O 3.25Å
466V97.3Very high91.9Very high22 Ų2255.7 Ų55.713%0.13332%0.32CS..EExtended strand (participates in β ladder)trans-95.4134.7173.6179.60000110.1I445 M447 V456 T459 E460 S464 L468I445-V466 HydrophobicContact CB-CG2 4.45Å; I445-V466 CarbonylContact O-C 3.59Å; I445-V466 WeakPolarHBondContact O-CA 3.44Å; M447-V466 HydrophobicContact CE-CG1 4.28Å; M447-V466 HydrophobicContact CE-CG2 4.22Å; M447-V466 HydrophobicContact CG-CG1 4.07Å; M447-V466 HydrophobicContact SD-CG1 4.05Å; V456-V466 HydrophobicContact CG1-CG1 4.14Å; T459-V466 HydrophobicContact CG2-CG2 3.84Å; E460-V466 HydrophobicContact CG-CB 3.99Å; E460-V466 HydrophobicContact CG-CG2 3.5Å; S464-V466 PolarHBondContact O-N 2.84Å; V466-L468 HydrophobicContact CG1-CD2 3.91Å
467I97Very high92Very high32 Ų3258.9 Ų58.916%0.16433%0.333CS..EExtended strand (participates in β ladder)trans-118115171.7-54.1174.4000107.9T444 I445 V446 M447 Y479 I483T444-I467 HydrophobicContact CG2-CD1 3.55Å; T444-I467 HydrophobicContact CG2-CG1 3.99Å; I445-I467 PolarHBondContact O-N 2.69Å; V446-I467 WeakPolarHBondContact CA-O 3.45Å; M447-I467 PolarHBondContact N-O 2.98Å; I467-Y479 HydrophobicContact CG2-CE1 3.85Å; I467-I483 HydrophobicContact CD1-CD1 4.09Å
468L96.6Very high92.2Very high83 Ų8356.7 Ų56.744%0.43533%0.331SS..EExtended strand (participates in β ladder)trans-84.8118.3172.4-57.5-176.4000108.4M447 E449 V456 V466M447-L468 HydrophobicContact CB-CD2 3.92Å; M447-L468 CarbonylContact O-C 3.57Å; M447-L468 VanDerWaalsContact O-CA 3.32Å; M447-L468 WeakPolarHBondContact O-CA 2.95Å; E449-L468 HydrophobicContact CG-CB 4.28Å; V456-L468 HydrophobicContact CG2-CD2 4.06Å; V466-L468 HydrophobicContact CG1-CD2 3.91Å
469H96.4Very high92.6Very high72 Ų7258.7 Ų58.733%0.33333%0.331SS..  trans-148.6127.9179.7-170.191.9000111.5V446 M447 A476 Y479V446-H469 HydrophobicContact CG1-CB 4.46Å; M447-H469 PolarHBondContact O-N 2.77Å; H469-A476 WeakPolarHBondContact O-CA 3.33Å; H469-A476 WeakPolarHBondContact O-CB 3.47Å; H469-Y479 HydrophobicContact CB-CD1 3.6Å; H469-Y479 HydrophobicContact CB-CE1 4.09Å; H469-Y479 HydrophobicContact CB-CG 4.11Å; H469-Y479 WeakPolarHBondContact CD2-CB 3.18Å; H469-Y479 AromaticContact CD2-CD1 3.93Å; H469-Y479 AromaticContact CD2-CD2 3.98Å; H469-Y479 AromaticContact CD2-CG 3.48Å; H469-Y479 VanDerWaalsContact CD2-CG 3.48Å; H469-Y479 AromaticContact CE1-CD2 3.73Å; H469-Y479 AromaticContact CE1-CG 3.98Å; H469-Y479 AromaticContact CG-CD1 3.53Å; H469-Y479 AromaticContact CG-CG 3.55Å; H469-Y479 AromaticContact ND1-CD1 3.92Å; H469-Y479 AromaticContact ND1-CD2 3.94Å; H469-Y479 AromaticContact ND1-CG 3.87Å; H469-Y479 AromaticContact NE2-CD2 3.75Å; H469-Y479 AromaticContact NE2-CG 3.77Å
470G91Very high92.8Very high12 Ų1258.8 Ų58.812%0.12433%0.332CS..SBendtrans85.8157.4172.800000113.7P448 E449P448-G470 WeakPolarHBondContact CA-O 3Å; E449-G470 PolarHBondContact N-O 2.96Å
471A86.7Confident92.8Very high65 Ų6558.7 Ų58.754%0.53733%0.331SS..SBendtrans-73.1-33.5-176.900000112.3T450T450-A471 WeakPolarHBondContact CG2-O 3.48Å; T450-A471 PolarHBondContact OG1-O 2.67Å
472G83.4Confident92.9Very high21 Ų2162 Ų6222%0.21633%0.331CS..SBendtrans-133.6-177.8-177.200000113.8D474 E475 A476G472-D474 VanDerWaalsContact C-N 3.31Å; G472-D474 PolarHBondContact O-N 2.75Å; G472-E475 VanDerWaalsContact C-OE2 3.23Å; G472-E475 WeakPolarHBondContact CA-OE2 3.36Å; G472-E475 PolarHBondContact N-OE2 3.4Å; G472-A476 PolarHBondContact O-N 3.26Å
473F84.6Confident93.1Very high101 Ų10160.1 Ų60.144%0.44333%0.325SS..Hα-helixtrans-64.9-34.9-176.4179.8-96.7000112.6V423 A476 K477V423-F473 HydrophobicContact CG1-CE2 4.37Å; V423-F473 HydrophobicContact CG1-CZ 4.2Å; V423-F473 HydrophobicContact CG2-CD2 4.4Å; V423-F473 HydrophobicContact CG2-CE2 3.99Å; F473-A476 PolarHBondContact O-N 2.96Å; F473-K477 HydrophobicContact CE1-CB 4.44Å; F473-K477 HydrophobicContact CE1-CD 4.17Å; F473-K477 VanDerWaalsContact O-CB 3.29Å; F473-K477 WeakPolarHBondContact O-CB 3.48Å; F473-K477 PolarHBondContact O-N 3.19Å
474D84.6Confident93.2Very high115 Ų11559.2 Ų59.262%0.61531%0.307SS*.Hα-helixtrans-69-40.7-176.4-63-34.2000111.5G472 K477 A478G472-D474 VanDerWaalsContact C-N 3.31Å; G472-D474 PolarHBondContact O-N 2.75Å; D474-K477 PolarHBondContact O-N 3.34Å; D474-A478 WeakPolarHBondContact O-CB 3.39Å; D474-A478 PolarHBondContact O-N 2.82Å
475E90.8Very high93.1Very high91 Ų9166.7 Ų66.743%0.42534%0.341SS..Hα-helixtrans-67.7-41.2174.5-60.292.8157.800111.9G472 K477 A478 Y479G472-E475 VanDerWaalsContact C-OE2 3.23Å; G472-E475 WeakPolarHBondContact CA-OE2 3.36Å; G472-E475 PolarHBondContact N-OE2 3.4Å; E475-K477 VanDerWaalsContact C-N 3.29Å; E475-K477 PolarHBondContact O-N 3.2Å; E475-A478 PolarHBondContact O-N 3.43Å; E475-Y479 WeakPolarHBondContact O-CB 3.36Å; E475-Y479 PolarHBondContact O-N 3.16Å
476A93.2Very high93Very high0 Ų067.8 Ų67.80%035%0.349CS..Hα-helixtrans-61-40174.400000111.4V423 V446 H469 G472 F473 C480V423-A476 HydrophobicContact CG2-CB 3.99Å; V446-A476 HydrophobicContact CG1-CB 4.13Å; V446-A476 WeakPolarHBondContact CG1-O 3.2Å; H469-A476 WeakPolarHBondContact O-CA 3.33Å; H469-A476 WeakPolarHBondContact O-CB 3.47Å; G472-A476 PolarHBondContact O-N 3.26Å; F473-A476 PolarHBondContact O-N 2.96Å; A476-C480 WeakPolarHBondContact O-CB 3.17Å; A476-C480 PolarHBondContact O-N 3.41Å
477K92.5Very high92.9Very high83 Ų8370.8 Ų70.836%0.36137%0.367SS..Hα-helixtrans-67.2-49.1177.6180178.8173.9-168.70111.6V423 F473 D474 E475 Y479 C480 E481V423-K477 HydrophobicContact CG1-CB 4.21Å; V423-K477 HydrophobicContact CG1-CG 4.19Å; V423-K477 HydrophobicContact CG2-CB 4.32Å; F473-K477 HydrophobicContact CE1-CB 4.44Å; F473-K477 HydrophobicContact CE1-CD 4.17Å; F473-K477 VanDerWaalsContact O-CB 3.29Å; F473-K477 WeakPolarHBondContact O-CB 3.48Å; F473-K477 PolarHBondContact O-N 3.19Å; D474-K477 PolarHBondContact O-N 3.34Å; E475-K477 VanDerWaalsContact C-N 3.29Å; E475-K477 PolarHBondContact O-N 3.2Å; K477-Y479 PolarHBondContact O-N 3.42Å; K477-C480 WeakPolarHBondContact O-CB 3.38Å; K477-C480 PolarHBondContact O-N 3.13Å; K477-C480 VanDerWaalsContact O-N 3.09Å; K477-E481 WeakPolarHBondContact CE-OE1 3.09Å; K477-E481 WeakPolarHBondContact O-CG 3.37Å; K477-E481 PolarHBondContact O-N 3.4Å
478A92.9Very high92.6Very high46 Ų4671 Ų7138%0.3838%0.377SS..Hα-helixtrans-59.6-35.8177.500000112.1D474 E475 K482D474-A478 WeakPolarHBondContact O-CB 3.39Å; D474-A478 PolarHBondContact O-N 2.82Å; E475-A478 PolarHBondContact O-N 3.43Å; A478-K482 WeakPolarHBondContact O-CG 3.4Å; A478-K482 PolarHBondContact O-N 2.92Å
479Y97.3Very high92.6Very high76 Ų7667.8 Ų67.830%0.29836%0.36SS..Hα-helixtrans-71.1-39.6174.6-174.2-113000112.8V446 I467 H469 E475 K477 E481 K482 I483V446-Y479 HydrophobicContact CG1-CD1 4.06Å; I467-Y479 HydrophobicContact CG2-CE1 3.85Å; H469-Y479 HydrophobicContact CB-CD1 3.6Å; H469-Y479 HydrophobicContact CB-CE1 4.09Å; H469-Y479 HydrophobicContact CB-CG 4.11Å; H469-Y479 WeakPolarHBondContact CD2-CB 3.18Å; H469-Y479 AromaticContact CD2-CD1 3.93Å; H469-Y479 AromaticContact CD2-CD2 3.98Å; H469-Y479 AromaticContact CD2-CG 3.48Å; H469-Y479 VanDerWaalsContact CD2-CG 3.48Å; H469-Y479 AromaticContact CE1-CD2 3.73Å; H469-Y479 AromaticContact CE1-CG 3.98Å; H469-Y479 AromaticContact CG-CD1 3.53Å; H469-Y479 AromaticContact CG-CG 3.55Å; H469-Y479 AromaticContact ND1-CD1 3.92Å; H469-Y479 AromaticContact ND1-CD2 3.94Å; H469-Y479 AromaticContact ND1-CG 3.87Å; H469-Y479 AromaticContact NE2-CD2 3.75Å; H469-Y479 AromaticContact NE2-CG 3.77Å; E475-Y479 WeakPolarHBondContact O-CB 3.36Å; E475-Y479 PolarHBondContact O-N 3.16Å; K477-Y479 PolarHBondContact O-N 3.42Å; Y479-E481 VanDerWaalsContact C-N 3.32Å; Y479-E481 PolarHBondContact O-N 3.26Å; Y479-K482 PolarHBondContact O-N 3.07Å; Y479-I483 HydrophobicContact CD1-CD1 3.95Å; Y479-I483 HydrophobicContact CE1-CD1 3.54Å; Y479-I483 HydrophobicContact CE1-CG1 4.35Å; Y479-I483 WeakPolarHBondContact O-CG1 3.31Å; Y479-I483 PolarHBondContact O-N 3.46Å; Y479-I483 VanDerWaalsContact O-N 3.13Å
480C96.4Very high92.6Very high1 Ų165.3 Ų65.31%0.00735%0.35CS..Hα-helixtrans-58.4-44.1172.3-174.40000111.6V423 V446 A476 K477 I483 V484V423-C480 HydrophobicContact CB-CB 4.03Å; V446-C480 HydrophobicContact CB-CB 4.12Å; V446-C480 HydrophobicContact CG2-CB 3.87Å; A476-C480 WeakPolarHBondContact O-CB 3.17Å; A476-C480 PolarHBondContact O-N 3.41Å; K477-C480 WeakPolarHBondContact O-CB 3.38Å; K477-C480 PolarHBondContact O-N 3.13Å; K477-C480 VanDerWaalsContact O-N 3.09Å; C480-I483 PolarHBondContact O-N 2.67Å; C480-V484 WeakPolarHBondContact O-CG2 3.06Å; C480-V484 PolarHBondContact O-N 2.6Å; C480-V484 VanDerWaalsContact O-N 3.07Å
481E94.8Very high92.9Very high96 Ų9668.2 Ų68.245%0.44936%0.358SS..Hα-helixtrans-61-43.6177.8-71.9168.3172.200111.6K477 Y479 I483 V484 E485K477-E481 WeakPolarHBondContact CE-OE1 3.09Å; K477-E481 WeakPolarHBondContact O-CG 3.37Å; K477-E481 PolarHBondContact O-N 3.4Å; Y479-E481 VanDerWaalsContact C-N 3.32Å; Y479-E481 PolarHBondContact O-N 3.26Å; E481-I483 PolarHBondContact O-N 2.84Å; E481-V484 WeakPolarHBondContact O-CB 3.48Å; E481-V484 PolarHBondContact O-N 2.76Å; E481-V484 VanDerWaalsContact O-N 3.16Å; E481-E485 WeakPolarHBondContact O-CG 3.48Å; E481-E485 PolarHBondContact O-N 3.24Å
482K96.5Very high93.4Very high122 Ų12265.1 Ų65.153%0.5333%0.333SS..Hα-helixtrans-58.7-43.3173.9-73.5179.4179.9-178.70113.1A478 Y479 V484 E485 E486A478-K482 WeakPolarHBondContact O-CG 3.4Å; A478-K482 PolarHBondContact O-N 2.92Å; Y479-K482 PolarHBondContact O-N 3.07Å; K482-V484 VanDerWaalsContact C-N 3.3Å; K482-V484 PolarHBondContact O-N 2.92Å; K482-E485 PolarHBondContact O-N 3.26Å; K482-E486 WeakPolarHBondContact O-CB 3.45Å; K482-E486 WeakPolarHBondContact O-CG 3.48Å; K482-E486 PolarHBondContact O-N 2.76Å
483I96.5Very high94Very high24 Ų2465.2 Ų65.212%0.12333%0.329CS..Hα-helixtrans-63-40.4177.7-66.2170.1000110.7I421 V446 I467 Y479 C480 E481 E486 T487 V489I421-I483 HydrophobicContact CD1-CB 3.99Å; I421-I483 HydrophobicContact CD1-CD1 4.2Å; I421-I483 HydrophobicContact CD1-CG2 3.68Å; V446-I483 HydrophobicContact CG2-CD1 4.4Å; I467-I483 HydrophobicContact CD1-CD1 4.09Å; Y479-I483 HydrophobicContact CD1-CD1 3.95Å; Y479-I483 HydrophobicContact CE1-CD1 3.54Å; Y479-I483 HydrophobicContact CE1-CG1 4.35Å; Y479-I483 WeakPolarHBondContact O-CG1 3.31Å; Y479-I483 PolarHBondContact O-N 3.46Å; Y479-I483 VanDerWaalsContact O-N 3.13Å; C480-I483 PolarHBondContact O-N 2.67Å; E481-I483 PolarHBondContact O-N 2.84Å; I483-E486 PolarHBondContact O-N 3.19Å; I483-T487 HydrophobicContact CG2-CG2 4.18Å; I483-T487 WeakPolarHBondContact O-CB 3.39Å; I483-T487 WeakPolarHBondContact O-CG2 3.39Å; I483-T487 PolarHBondContact O-N 2.91Å; I483-T487 PolarHBondContact O-OG1 3.46Å; I483-V489 HydrophobicContact CG2-CG1 4.22Å
484V96.3Very high94.4Very high41 Ų4161.5 Ų61.525%0.24832%0.316CS..Hα-helixtrans-61-46.5176.9173.40000110.5I421 C480 E481 K482 G488 V489I421-V484 HydrophobicContact CG2-CG2 3.47Å; I421-V484 VanDerWaalsContact CG2-CG2 3.47Å; C480-V484 WeakPolarHBondContact O-CG2 3.06Å; C480-V484 PolarHBondContact O-N 2.6Å; C480-V484 VanDerWaalsContact O-N 3.07Å; E481-V484 WeakPolarHBondContact O-CB 3.48Å; E481-V484 PolarHBondContact O-N 2.76Å; E481-V484 VanDerWaalsContact O-N 3.16Å; K482-V484 VanDerWaalsContact C-N 3.3Å; K482-V484 PolarHBondContact O-N 2.92Å; V484-G488 WeakPolarHBondContact O-CA 3.29Å; V484-G488 PolarHBondContact O-N 3.06Å; V484-V489 HydrophobicContact CG2-CG1 4.2Å
485E94.1Very high94.9Very high163 Ų16358.8 Ų58.876%0.76230%0.297SS*.Hα-helixtrans-62.1-42.8177.2-71176.2-17800112.7E481 K482E481-E485 WeakPolarHBondContact O-CG 3.48Å; E481-E485 PolarHBondContact O-N 3.24Å; K482-E485 PolarHBondContact O-N 3.26Å
486E95.2Very high95.1Very high158 Ų15856.5 Ų56.574%0.73829%0.288SS*.Hα-helixtrans-76.1-34.8-176.1-72.5174.9-177.700113.7K482 I483K482-E486 WeakPolarHBondContact O-CB 3.45Å; K482-E486 WeakPolarHBondContact O-CG 3.48Å; K482-E486 PolarHBondContact O-N 2.76Å; I483-E486 PolarHBondContact O-N 3.19Å
487T93.8Very high95.3Very high85 Ų8557.5 Ų57.552%0.52129%0.293SS..Hα-helixtrans-109-20.2-170.666.30000113.9I483 V489I483-T487 HydrophobicContact CG2-CG2 4.18Å; I483-T487 WeakPolarHBondContact O-CB 3.39Å; I483-T487 WeakPolarHBondContact O-CG2 3.39Å; I483-T487 PolarHBondContact O-N 2.91Å; I483-T487 PolarHBondContact O-OG1 3.46Å; T487-V489 PolarHBondContact O-N 2.53Å; T487-V489 WeakPolarHBondContact OG1-CB 3.39Å; T487-V489 VanDerWaalsContact OG1-CG1 3.25Å; T487-V489 WeakPolarHBondContact OG1-CG1 3.03Å; T487-V489 PolarHBondContact OG1-N 3.02Å
488G91.5Very high95.5Very high35 Ų3557.8 Ų57.836%0.36130%0.296SS..  trans66.419.7-172.800000114.1K418 V484K418-G488 WeakPolarHBondContact CD-O 3.29Å; V484-G488 WeakPolarHBondContact O-CA 3.29Å; V484-G488 PolarHBondContact O-N 3.06Å
489V95.8Very high95.7Very high16 Ų1658.9 Ų58.910%0.09729%0.292CS..PPolyproline II helixtrans-63.9144.8171.568.50000110.2G419 I421 I483 V484 T487 Y491G419-V489 VanDerWaalsContact C-CG2 3.43Å; G419-V489 WeakPolarHBondContact O-CG2 3.31Å; I421-V489 HydrophobicContact CB-CG1 3.89Å; I421-V489 HydrophobicContact CB-CG2 4.2Å; I421-V489 HydrophobicContact CD1-CG1 4.38Å; I421-V489 HydrophobicContact CG2-CG1 3.5Å; I421-V489 VanDerWaalsContact CG2-CG1 3.5Å; I421-V489 HydrophobicContact CG2-CG2 4.37Å; I483-V489 HydrophobicContact CG2-CG1 4.22Å; V484-V489 HydrophobicContact CG2-CG1 4.2Å; T487-V489 PolarHBondContact O-N 2.53Å; T487-V489 WeakPolarHBondContact OG1-CB 3.39Å; T487-V489 VanDerWaalsContact OG1-CG1 3.25Å; T487-V489 WeakPolarHBondContact OG1-CG1 3.03Å; T487-V489 PolarHBondContact OG1-N 3.02Å; V489-Y491 PolarHBondContact O-N 3.2Å
490T96.5Very high95.8Very high20 Ų2055.4 Ų55.412%0.12328%0.279CS..EExtended strand (participates in β ladder)trans-79.9117-175.1-58.60000111.6L411 E415 G419 V420 I421 I492L411-T490 HydrophobicContact CD1-CG2 3.94Å; L411-T490 HydrophobicContact CD2-CG2 3.74Å; E415-T490 WeakPolarHBondContact CB-OG1 3.43Å; G419-T490 PolarHBondContact O-N 2.98Å; V420-T490 CarbonylContact C-O 3.56Å; V420-T490 VanDerWaalsContact CA-O 3.28Å; V420-T490 WeakPolarHBondContact CA-O 3.19Å; I421-T490 PolarHBondContact N-O 2.9Å; T490-I492 HydrophobicContact CG2-CD1 4.19Å
491Y97.3Very high95.9Very high74 Ų7455.3 Ų55.329%0.2928%0.278SS..EExtended strand (participates in β ladder)trans-71.5133.5172.6178.9-111.1000111.4I421 V423 V489 P493I421-Y491 HydrophobicContact CG2-CD2 4.28Å; I421-Y491 CarbonylContact O-C 3.57Å; I421-Y491 WeakPolarHBondContact O-CA 3.42Å; V423-Y491 HydrophobicContact CG1-CE2 4.12Å; V489-Y491 PolarHBondContact O-N 3.2Å; Y491-P493 HydrophobicContact CD1-CG 4.04Å; Y491-P493 HydrophobicContact CE1-CB 4.2Å; Y491-P493 HydrophobicContact CE1-CG 4.01Å; Y491-P493 WeakPolarHBondContact O-CD 3.22Å
492I97.7Very high96Very high0 Ų050.8 Ų50.80%026%0.257CS..  trans-106.4107.9177-50.1-59.2000109.5K407 I408 L411 V420 I421 H428 V432 T490K407-I492 HydrophobicContact CG-CD1 4.12Å; K407-I492 HydrophobicContact CG-CG2 4.22Å; I408-I492 HydrophobicContact CD1-CG1 4.28Å; I408-I492 HydrophobicContact CG1-CD1 3.8Å; I408-I492 HydrophobicContact CG1-CG1 4.09Å; I408-I492 HydrophobicContact CG1-CG2 4.48Å; L411-I492 HydrophobicContact CD1-CD1 4.08Å; V420-I492 HydrophobicContact CB-CD1 4.1Å; V420-I492 HydrophobicContact CB-CG1 3.79Å; V420-I492 HydrophobicContact CG1-CD1 3.89Å; V420-I492 HydrophobicContact CG1-CG1 4.15Å; V420-I492 HydrophobicContact CG2-CG1 4.45Å; I421-I492 PolarHBondContact O-N 3.29Å; H428-I492 PolarHBondContact NE2-O 2.92Å; V432-I492 HydrophobicContact CG2-CB 4.07Å; V432-I492 HydrophobicContact CG2-CG2 3.86Å; T490-I492 HydrophobicContact CG2-CD1 4.19Å
493P95.4Very high96.1Very high22 Ų2245 Ų4514%0.14323%0.232CC..  trans-67147.1-178.7-23.636.5000112.8H428 Y491 D497H428-P493 PolarHBondContact CE1-O 3.45Å; H428-P493 PolarHBondContact NE2-O 3.15Å; Y491-P493 HydrophobicContact CD1-CG 4.04Å; Y491-P493 HydrophobicContact CE1-CB 4.2Å; Y491-P493 HydrophobicContact CE1-CG 4.01Å; Y491-P493 WeakPolarHBondContact O-CD 3.22Å; P493-D497 HydrophobicContact CB-CB 4.03Å; P493-D497 HydrophobicContact CG-CB 3.96Å
494P94.1Very high96.2Very high24 Ų2444 Ų4416%0.15623%0.227CC..SBendtrans-78.1-18.2-179.427.8-33.8000115.3K400 H428K400-P494 PolarHBondContact NZ-O 3.3Å; H428-P494 HydrophobicContact CB-CB 4.14Å; H428-P494 VanDerWaalsContact CE1-CA 3.49Å; H428-P494 WeakPolarHBondContact CE1-CA 3.39Å
495Y94.6Very high96.3Very high57 Ų5742 Ų4222%0.22422%0.215CC..SBendtrans-163.1-32.8-174.361.3-102.7000115.9D497 G528 V581 T588Y495-D497 PolarHBondContact O-N 3.25Å; Y495-G528 WeakPolarHBondContact O-CA 3.22Å; Y495-V581 HydrophobicContact CE1-CG1 4.49Å; Y495-V581 HydrophobicContact CE1-CG2 4.13Å; Y495-T588 HydrophobicContact CD2-CG2 4.39Å; Y495-T588 WeakPolarHBondContact O-CG2 3.12Å
496D95.5Very high96.5Very high43 Ų4334.4 Ų34.423%0.2318%0.179CC..SBendtrans-98.867.8-171.9-152.847.6000111.7G585 N586 L587 T588D496-G585 VanDerWaalsContact OD1-C 3.3Å; D496-G585 VanDerWaalsContact OD1-CA 3.23Å; D496-G585 WeakPolarHBondContact OD1-CA 3.49Å; D496-G585 WeakPolarHBondContact OD2-CA 3.22Å; D496-N586 PolarHBondContact OD1-N 3.49Å; D496-N586 PolarHBondContact OD2-N 3.22Å; D496-L587 PolarHBondContact OD1-N 2.81Å; D496-T588 WeakPolarHBondContact OD1-CG2 3.26Å; D496-T588 PolarHBondContact OD1-N 3.41Å; D496-T588 PolarHBondContact OD1-OG1 2.95Å
497D97.3Very high96.7Very high21 Ų2126.9 Ų26.911%0.11214%0.144CC..SBendtrans-156139.4179.5169.8-84.7000108.8K407 P493 Y495 F499 V500 M501K407-D497 WeakPolarHBondContact CD-OD1 3.25Å; K407-D497 WeakPolarHBondContact CE-OD2 3.47Å; K407-D497 IonicContact NZ-OD1 3.66Å; K407-D497 IonicContact NZ-OD2 3.36Å; K407-D497 PolarHBondContact NZ-OD2 3.42Å; P493-D497 HydrophobicContact CB-CB 4.03Å; P493-D497 HydrophobicContact CG-CB 3.96Å; Y495-D497 PolarHBondContact O-N 3.25Å; D497-F499 PolarHBondContact O-N 2.89Å; D497-F499 WeakPolarHBondContact OD1-CA 3.49Å; D497-F499 WeakPolarHBondContact OD1-CB 3.38Å; D497-F499 PolarHBondContact OD1-N 2.97Å; D497-V500 HydrophobicContact CB-CB 4.03Å; D497-V500 HydrophobicContact CB-CG2 3.87Å; D497-V500 PolarHBondContact O-N 3.42Å; D497-V500 PolarHBondContact OD1-N 3.49Å; D497-M501 WeakPolarHBondContact O-CB 3.26Å; D497-M501 VanDerWaalsContact O-CG 3.26Å; D497-M501 WeakPolarHBondContact O-CG 3.5Å; D497-M501 PolarHBondContact O-N 2.91Å
498E95.1Very high96.9Very high90 Ų9022.8 Ų22.842%0.42112%0.119SC..Hα-helixtrans-59.4-45.3-174.2-57.4179.7165.100112.2P350 V351 M501 A502 L587P350-E498 HydrophobicContact CB-CG 4.48Å; P350-E498 VanDerWaalsContact O-CD 3.31Å; P350-E498 VanDerWaalsContact O-CG 3.23Å; P350-E498 WeakPolarHBondContact O-CG 3.41Å; V351-E498 HydrophobicContact CG2-CB 4.02Å; V351-E498 VanDerWaalsContact CG2-O 3.32Å; V351-E498 WeakPolarHBondContact CG2-O 3.22Å; E498-M501 PolarHBondContact O-N 2.8Å; E498-A502 VanDerWaalsContact O-CB 3.29Å; E498-A502 WeakPolarHBondContact O-CB 3.19Å; E498-A502 PolarHBondContact O-N 3.06Å; E498-L587 HydrophobicContact CG-CD1 3.96Å
499F98Very high97.2Very high69 Ų6921.7 Ų21.730%0.30311%0.105SC..Hα-helixtrans-69.5-36.6178.2-64.7-74.5000111.9N406 K407 H410 D497 G503N406-F499 PolarHBondContact ND2-O 3.28Å; K407-F499 HydrophobicContact CB-CB 4.12Å; K407-F499 HydrophobicContact CD-CB 3.95Å; K407-F499 HydrophobicContact CD-CD2 3.94Å; K407-F499 HydrophobicContact CD-CG 4.31Å; H410-F499 HydrophobicContact CB-CD1 3.89Å; H410-F499 HydrophobicContact CB-CE1 3.8Å; H410-F499 HydrophobicContact CB-CE2 4.44Å; H410-F499 HydrophobicContact CB-CG 4.27Å; H410-F499 HydrophobicContact CB-CZ 4.07Å; H410-F499 AromaticContact CD2-CD1 3.82Å; H410-F499 AromaticContact CD2-CE1 3.35Å; H410-F499 WeakPolarHBondContact CD2-CE1 3.37Å; H410-F499 AromaticContact CE1-CD1 3.98Å; H410-F499 AromaticContact CG-CD1 3.51Å; H410-F499 AromaticContact CG-CE1 3.44Å; H410-F499 VanDerWaalsContact CG-CE1 3.44Å; H410-F499 AromaticContact ND1-CD1 3.64Å; H410-F499 AromaticContact ND1-CE1 3.99Å; H410-F499 AromaticContact NE2-CE1 3.87Å; D497-F499 PolarHBondContact O-N 2.89Å; D497-F499 WeakPolarHBondContact OD1-CA 3.49Å; D497-F499 WeakPolarHBondContact OD1-CB 3.38Å; D497-F499 PolarHBondContact OD1-N 2.97Å; F499-G503 PolarHBondContact O-N 3.15Å
500V98.5Very high97.3Very high2 Ų221.7 Ų21.71%0.01210%0.104CC..Hα-helixtrans-62.6-50.2174.7174.20000109.8G403 K407 D497 G503 Q504G403-V500 WeakPolarHBondContact CA-O 3.4Å; K407-V500 HydrophobicContact CB-CG2 3.89Å; K407-V500 HydrophobicContact CG-CG2 4.38Å; D497-V500 HydrophobicContact CB-CB 4.03Å; D497-V500 HydrophobicContact CB-CG2 3.87Å; D497-V500 PolarHBondContact O-N 3.42Å; D497-V500 PolarHBondContact OD1-N 3.49Å; V500-G503 PolarHBondContact O-N 3.31Å; V500-Q504 WeakPolarHBondContact O-CG 3.24Å; V500-Q504 PolarHBondContact O-N 3.08Å; V500-Q504 VanDerWaalsContact O-N 3.08Å
501M98.5Very high97.4Very high0 Ų020.8 Ų20.80%010%0.098CC..Hα-helixtrans-57.6-47.9177-74.4162.27000111.5P350 V351 D497 E498 G503 Q504 G505 A531 G532 L587 T588 V591P350-M501 HydrophobicContact CB-CE 4.31Å; V351-M501 HydrophobicContact CG2-CB 3.62Å; V351-M501 HydrophobicContact CG2-CE 3.94Å; V351-M501 HydrophobicContact CG2-SD 4.25Å; D497-M501 WeakPolarHBondContact O-CB 3.26Å; D497-M501 VanDerWaalsContact O-CG 3.26Å; D497-M501 WeakPolarHBondContact O-CG 3.5Å; D497-M501 PolarHBondContact O-N 2.91Å; E498-M501 PolarHBondContact O-N 2.8Å; M501-G503 VanDerWaalsContact C-N 3.34Å; M501-G503 PolarHBondContact O-N 2.88Å; M501-Q504 PolarHBondContact O-N 2.86Å; M501-Q504 VanDerWaalsContact O-N 3.15Å; M501-G505 PolarHBondContact O-N 2.94Å; M501-A531 HydrophobicContact CE-CB 3.64Å; M501-A531 HydrophobicContact CG-CB 4.44Å; M501-G532 WeakPolarHBondContact O-CA 3.43Å; M501-L587 HydrophobicContact CE-CB 4.29Å; M501-L587 HydrophobicContact SD-CB 3.82Å; M501-T588 HydrophobicContact CE-CG2 4.27Å; M501-T588 HydrophobicContact CG-CG2 4.01Å; M501-T588 HydrophobicContact SD-CG2 3.77Å; M501-V591 HydrophobicContact CE-CB 4.43Å; M501-V591 HydrophobicContact CE-CG2 3.63Å
502A98.2Very high97.2Very high1 Ų118 Ų181%0.0089%0.089CC..Hα-helixtrans-59.5-43.5177.400000112.3V351 D355 I356 A359 E498 Q504 G505 T506V351-A502 HydrophobicContact CG1-CB 3.96Å; D355-A502 HydrophobicContact CB-CB 4.05Å; I356-A502 HydrophobicContact CG1-CB 4.32Å; A359-A502 HydrophobicContact CB-CB 3.99Å; E498-A502 VanDerWaalsContact O-CB 3.29Å; E498-A502 WeakPolarHBondContact O-CB 3.19Å; E498-A502 PolarHBondContact O-N 3.06Å; A502-Q504 VanDerWaalsContact C-N 3.33Å; A502-Q504 PolarHBondContact O-N 2.79Å; A502-G505 PolarHBondContact O-N 3.47Å; A502-G505 VanDerWaalsContact O-N 3.12Å; A502-T506 PolarHBondContact O-N 3.29Å
503G98.5Very high97.1Very high0 Ų023.6 Ų23.60%012%0.118CC..Hα-helixtrans-58.6-42.2174.900000112.8R402 F499 V500 M501 T506R402-G503 WeakPolarHBondContact CB-O 3.49Å; F499-G503 PolarHBondContact O-N 3.15Å; V500-G503 PolarHBondContact O-N 3.31Å; M501-G503 VanDerWaalsContact C-N 3.34Å; M501-G503 PolarHBondContact O-N 2.88Å; G503-T506 WeakPolarHBondContact O-CB 3.33Å; G503-T506 WeakPolarHBondContact O-CG2 3.35Å; G503-T506 PolarHBondContact O-N 3.44Å; G503-T506 PolarHBondContact O-OG1 3.26Å
504Q98.5Very high97.2Very high2 Ų225.9 Ų25.91%0.00914%0.135CC..Hα-helixtrans-71.9-32.1175.2-51-47.5-4.500112.9F399 G403 V500 M501 A502 T506 I507 L529F399-Q504 HydrophobicContact CD2-CB 4.46Å; F399-Q504 HydrophobicContact CD2-CG 3.93Å; F399-Q504 VanDerWaalsContact CD2-OE1 3.25Å; F399-Q504 HydrophobicContact CE2-CG 3.96Å; F399-Q504 PolarHBondContact O-NE2 3.14Å; F399-Q504 PolarHBondContact O-OE1 3.46Å; G403-Q504 VanDerWaalsContact N-NE2 3.17Å; V500-Q504 WeakPolarHBondContact O-CG 3.24Å; V500-Q504 PolarHBondContact O-N 3.08Å; V500-Q504 VanDerWaalsContact O-N 3.08Å; M501-Q504 PolarHBondContact O-N 2.86Å; M501-Q504 VanDerWaalsContact O-N 3.15Å; A502-Q504 VanDerWaalsContact C-N 3.33Å; A502-Q504 PolarHBondContact O-N 2.79Å; Q504-T506 PolarHBondContact O-N 3.21Å; Q504-T506 VanDerWaalsContact O-N 3.14Å; Q504-I507 WeakPolarHBondContact O-CB 3.41Å; Q504-I507 WeakPolarHBondContact O-CD1 3.34Å; Q504-I507 WeakPolarHBondContact O-CG1 3.33Å; Q504-I507 PolarHBondContact O-N 2.74Å; Q504-L529 HydrophobicContact CB-CD1 4.15Å
505G98.4Very high97.2Very high0 Ų025.5 Ų25.50%013%0.131CC..Hα-helixtrans-59.9-22.5176.300000114.3I356 M501 A502 I507 G508 G532I356-G505 VanDerWaalsContact CG2-C 3.49Å; M501-G505 PolarHBondContact O-N 2.94Å; A502-G505 PolarHBondContact O-N 3.47Å; A502-G505 VanDerWaalsContact O-N 3.12Å; G505-I507 PolarHBondContact O-N 3.25Å; G505-G508 WeakPolarHBondContact O-CA 3.39Å; G505-G508 PolarHBondContact O-N 2.97Å; G505-G532 VanDerWaalsContact CA-O 3.23Å; G505-G532 WeakPolarHBondContact CA-O 3.42Å
506T98.6Very high96.9Very high3 Ų331.1 Ų31.12%0.01815%0.152CC..Hα-helixtrans-55.9-25.817366.40000113.2A359 K360 R402 A502 G503 Q504 G508 L509 E510A359-T506 HydrophobicContact CB-CG2 3.89Å; K360-T506 HydrophobicContact CB-CG2 4.11Å; R402-T506 PolarHBondContact NH1-OG1 2.86Å; R402-T506 VanDerWaalsContact NH1-OG1 3.07Å; A502-T506 PolarHBondContact O-N 3.29Å; G503-T506 WeakPolarHBondContact O-CB 3.33Å; G503-T506 WeakPolarHBondContact O-CG2 3.35Å; G503-T506 PolarHBondContact O-N 3.44Å; G503-T506 PolarHBondContact O-OG1 3.26Å; Q504-T506 PolarHBondContact O-N 3.21Å; Q504-T506 VanDerWaalsContact O-N 3.14Å; T506-G508 VanDerWaalsContact C-N 3.32Å; T506-L509 PolarHBondContact O-N 2.97Å; T506-E510 PolarHBondContact O-N 3.03Å; T506-E510 VanDerWaalsContact O-N 3.08Å
507I98.8Very high96.7Very high0 Ų032 Ų320%016%0.157CC..Hα-helixtrans-64.1-39174.3-62.4162.7000111K389 E391 F399 Q504 G505 L509 E510 I511 L529 I533K389-I507 HydrophobicContact CG-CG2 3.86Å; E391-I507 HydrophobicContact CG-CD1 3.73Å; E391-I507 HydrophobicContact CG-CG1 4.22Å; F399-I507 HydrophobicContact CB-CD1 3.91Å; Q504-I507 WeakPolarHBondContact O-CB 3.41Å; Q504-I507 WeakPolarHBondContact O-CD1 3.34Å; Q504-I507 WeakPolarHBondContact O-CG1 3.33Å; Q504-I507 PolarHBondContact O-N 2.74Å; G505-I507 PolarHBondContact O-N 3.25Å; I507-L509 VanDerWaalsContact C-N 3.33Å; I507-L509 PolarHBondContact O-N 3.43Å; I507-E510 PolarHBondContact O-N 2.87Å; I507-I511 HydrophobicContact CG2-CD1 4.11Å; I507-I511 WeakPolarHBondContact O-CG1 3.34Å; I507-I511 PolarHBondContact O-N 2.82Å; I507-L529 HydrophobicContact CD1-CD1 3.52Å; I507-I533 HydrophobicContact CB-CD1 4.17Å; I507-I533 HydrophobicContact CB-CG1 4.23Å; I507-I533 HydrophobicContact CG2-CD1 3.97Å; I507-I533 HydrophobicContact CG2-CG1 4.48Å
508G98.2Very high96.7Very high0 Ų031.2 Ų31.20%015%0.153CC..Hα-helixtrans-61.1-42.917600000111.5G505 T506 E510 I511 L512G505-G508 WeakPolarHBondContact O-CA 3.39Å; G505-G508 PolarHBondContact O-N 2.97Å; T506-G508 VanDerWaalsContact C-N 3.32Å; G508-E510 PolarHBondContact O-N 2.88Å; G508-I511 PolarHBondContact O-N 3.48Å; G508-L512 WeakPolarHBondContact O-CG 3.42Å; G508-L512 PolarHBondContact O-N 3.39Å
509L97.2Very high96.7Very high12 Ų1229.3 Ų29.36%0.06315%0.145CC..Hα-helixtrans-61.7-42.3174-60.1-174.7000112.2I353 I356 K360 T506 I507 I511 L512 D513 A536I353-L509 HydrophobicContact CD1-CD2 4.06Å; I356-L509 HydrophobicContact CG2-CD1 3.72Å; I356-L509 HydrophobicContact CG2-CG 3.91Å; K360-L509 HydrophobicContact CB-CD1 4.2Å; K360-L509 HydrophobicContact CD-CB 4.47Å; K360-L509 HydrophobicContact CD-CD1 3.76Å; T506-L509 PolarHBondContact O-N 2.97Å; I507-L509 VanDerWaalsContact C-N 3.33Å; I507-L509 PolarHBondContact O-N 3.43Å; L509-I511 VanDerWaalsContact C-N 3.31Å; L509-I511 PolarHBondContact O-N 2.8Å; L509-L512 PolarHBondContact O-N 3.09Å; L509-D513 WeakPolarHBondContact O-CB 3.29Å; L509-D513 VanDerWaalsContact O-CG 3.22Å; L509-D513 PolarHBondContact O-N 3.33Å; L509-A536 HydrophobicContact CD2-CB 4.24Å; L509-A536 HydrophobicContact CG-CB 4.48Å
510E98.4Very high96.8Very high16 Ų1626 Ų268%0.07513%0.131CC..Hα-helixtrans-66.6-31.9177.1-70.9179.7-158.100113.1V369 T370 K389 R402 T506 I507 G508 S514V369-E510 HydrophobicContact CG1-CG 4.21Å; T370-E510 PolarHBondContact N-OE2 3.05Å; K389-E510 IonicContact NZ-OE2 3.58Å; K389-E510 PolarHBondContact NZ-OE2 2.86Å; R402-E510 IonicContact CZ-OE1 3.49Å; R402-E510 VanDerWaalsContact CZ-OE1 3.25Å; R402-E510 IonicContact CZ-OE2 2.94Å; R402-E510 IonicContact NH1-OE1 2.77Å; R402-E510 PolarHBondContact NH1-OE1 3.18Å; R402-E510 VanDerWaalsContact NH2-CD 3.29Å; R402-E510 IonicContact NH2-OE1 3.32Å; R402-E510 PolarHBondContact NH2-OE1 3.15Å; R402-E510 IonicContact NH2-OE2 2.91Å; R402-E510 PolarHBondContact NH2-OE2 3.09Å; T506-E510 PolarHBondContact O-N 3.03Å; T506-E510 VanDerWaalsContact O-N 3.08Å; I507-E510 PolarHBondContact O-N 2.87Å; G508-E510 PolarHBondContact O-N 2.88Å; E510-S514 PolarHBondContact O-N 2.95Å; E510-S514 PolarHBondContact O-OG 2.87Å
511I98.5Very high96.8Very high0 Ų025.9 Ų25.90%013%0.131CC..Hα-helixtrans-65.3-49.3172.6-70.3166.8000109.4L372 K389 I507 G508 L509 D513 S514 I515 V518 V521 M537 V648L372-I511 HydrophobicContact CD1-CB 4.5Å; L372-I511 HydrophobicContact CD1-CG1 4.03Å; L372-I511 HydrophobicContact CD1-CG2 4.45Å; K389-I511 HydrophobicContact CD-CG1 4.31Å; K389-I511 HydrophobicContact CG-CD1 4.34Å; K389-I511 HydrophobicContact CG-CG1 4.2Å; I507-I511 HydrophobicContact CG2-CD1 4.11Å; I507-I511 WeakPolarHBondContact O-CG1 3.34Å; I507-I511 PolarHBondContact O-N 2.82Å; G508-I511 PolarHBondContact O-N 3.48Å; L509-I511 VanDerWaalsContact C-N 3.31Å; L509-I511 PolarHBondContact O-N 2.8Å; I511-D513 VanDerWaalsContact C-N 3.34Å; I511-D513 PolarHBondContact O-N 3.09Å; I511-S514 PolarHBondContact O-N 3.28Å; I511-I515 CarbonylContact O-C 3.59Å; I511-I515 PolarHBondContact O-N 3.02Å; I511-V518 HydrophobicContact CG2-CG1 4.2Å; I511-V521 HydrophobicContact CD1-CG1 4.04Å; I511-V521 HydrophobicContact CG2-CG2 4.45Å; I511-M537 HydrophobicContact CG2-CE 3.9Å; I511-V648 HydrophobicContact CD1-CG1 3.88Å; I511-V648 HydrophobicContact CG1-CG1 4.17Å; I511-V648 HydrophobicContact CG2-CG2 3.98Å
512L94Very high96.8Very high17 Ų1725.9 Ų25.99%0.08913%0.131CC..Hα-helixtrans-62.5-39.4178.9-68173.7000112.4G508 L509 S514 W516 V518 M537 F540 I544G508-L512 WeakPolarHBondContact O-CG 3.42Å; G508-L512 PolarHBondContact O-N 3.39Å; L509-L512 PolarHBondContact O-N 3.09Å; L512-S514 PolarHBondContact O-N 3.21Å; L512-W516 VanDerWaalsContact O-CA 3.29Å; L512-W516 WeakPolarHBondContact O-CA 3.29Å; L512-W516 WeakPolarHBondContact O-CB 3.48Å; L512-W516 PolarHBondContact O-N 3.17Å; L512-W516 VanDerWaalsContact O-N 3.15Å; L512-V518 HydrophobicContact CD2-CG1 4.46Å; L512-M537 HydrophobicContact CD2-CE 3.86Å; L512-M537 HydrophobicContact CG-CE 4.22Å; L512-F540 HydrophobicContact CD1-CB 3.65Å; L512-F540 HydrophobicContact CD1-CD1 4.07Å; L512-F540 HydrophobicContact CD1-CD2 4.5Å; L512-F540 HydrophobicContact CD1-CG 3.82Å; L512-F540 HydrophobicContact CD2-CD1 3.53Å; L512-F540 HydrophobicContact CD2-CE1 3.92Å; L512-F540 HydrophobicContact CD2-CG 4.16Å; L512-F540 HydrophobicContact CG-CD1 4.41Å; L512-I544 HydrophobicContact CD2-CD1 3.99Å
513D95.2Very high96.8Very high116 Ų11625.9 Ų25.962%0.6213%0.13SC*.Hα-helixtrans-60.7-28.5174.7-73.5-17.7000111.7K360 L509 I511K360-D513 IonicContact NZ-OD1 2.63Å; K360-D513 IonicContact NZ-OD2 2.77Å; K360-D513 PolarHBondContact NZ-OD2 2.67Å; L509-D513 WeakPolarHBondContact O-CB 3.29Å; L509-D513 VanDerWaalsContact O-CG 3.22Å; L509-D513 PolarHBondContact O-N 3.33Å; I511-D513 VanDerWaalsContact C-N 3.34Å; I511-D513 PolarHBondContact O-N 3.09Å
514S96.3Very high96.8Very high70 Ų7026 Ų2649%0.4913%0.131SC..Hα-helixtrans-95.8-42.5-177.6-54.20000113.6E510 I511 L512E510-S514 PolarHBondContact O-N 2.95Å; E510-S514 PolarHBondContact O-OG 2.87Å; I511-S514 PolarHBondContact O-N 3.28Å; L512-S514 PolarHBondContact O-N 3.21Å
515I94.3Very high96.8Very high16 Ų1625.9 Ų25.98%0.08213%0.13CC..  trans-140.982-178.5-53.2-176.2000107.6L372 F387 I511 D517 V518 K646L372-I515 HydrophobicContact CD2-CD1 3.41Å; L372-I515 VanDerWaalsContact CD2-CD1 3.41Å; L372-I515 HydrophobicContact CD2-CG1 3.85Å; F387-I515 HydrophobicContact CB-CD1 4.27Å; F387-I515 HydrophobicContact CD1-CD1 3.58Å; F387-I515 HydrophobicContact CD2-CD1 3.53Å; F387-I515 HydrophobicContact CE1-CD1 3.66Å; F387-I515 HydrophobicContact CE2-CD1 3.64Å; F387-I515 HydrophobicContact CG-CD1 3.52Å; F387-I515 HydrophobicContact CZ-CD1 3.71Å; I511-I515 CarbonylContact O-C 3.59Å; I511-I515 PolarHBondContact O-N 3.02Å; I515-D517 WeakPolarHBondContact CG2-OD1 3.34Å; I515-D517 PolarHBondContact O-N 2.7Å; I515-V518 HydrophobicContact CG2-CB 4.05Å; I515-V518 WeakPolarHBondContact O-CG1 3.49Å; I515-V518 PolarHBondContact O-N 3.3Å; I515-K646 HydrophobicContact CG2-CD 4.23Å
516W89.6Confident96.4Very high175 Ų17526.6 Ų26.666%0.66314%0.138SC*.THydrogen-bonded Turntrans-64.3-24.4-18068.3-90.3000113L512L512-W516 VanDerWaalsContact O-CA 3.29Å; L512-W516 WeakPolarHBondContact O-CA 3.29Å; L512-W516 WeakPolarHBondContact O-CB 3.48Å; L512-W516 PolarHBondContact O-N 3.17Å; L512-W516 VanDerWaalsContact O-N 3.15Å
517D91.1Very high96Very high63 Ų6326.5 Ų26.534%0.33714%0.137SC..THydrogen-bonded Turntrans-101.330.1-178.772.9-24.4000113.4I515 K646I515-D517 WeakPolarHBondContact CG2-OD1 3.34Å; I515-D517 PolarHBondContact O-N 2.7Å; D517-K646 WeakPolarHBondContact OD1-CD 3.16Å; D517-K646 IonicContact OD1-NZ 3.91Å; D517-K646 PolarHBondContact OD1-NZ 3.04Å; D517-K646 IonicContact OD2-NZ 2.74Å; D517-K646 PolarHBondContact OD2-NZ 3.47Å
518V96.5Very high95.9Very high4 Ų426.6 Ų26.62%0.02414%0.138CC..  trans-64.9133173.960.50000110.9I511 L512 I515 T520 V521 M537 I544 V648I511-V518 HydrophobicContact CG2-CG1 4.2Å; L512-V518 HydrophobicContact CD2-CG1 4.46Å; I515-V518 HydrophobicContact CG2-CB 4.05Å; I515-V518 WeakPolarHBondContact O-CG1 3.49Å; I515-V518 PolarHBondContact O-N 3.3Å; V518-T520 WeakPolarHBondContact CG2-O 3.46Å; V518-V521 HydrophobicContact CG1-CG2 4.4Å; V518-V521 HydrophobicContact CG2-CG2 3.9Å; V518-M537 HydrophobicContact CG1-CE 3.44Å; V518-M537 VanDerWaalsContact CG1-CE 3.44Å; V518-I544 HydrophobicContact CG1-CD1 4.11Å; V518-I544 HydrophobicContact CG1-CG2 4.44Å; V518-V648 HydrophobicContact CG2-CB 4.42Å; V518-V648 HydrophobicContact CG2-CG2 3.78Å
519D96.3Very high95.9Very high49 Ų4926.8 Ų26.826%0.26214%0.139SC..  trans-86.2-36.7178.2-66.6-88.7000112.1N545 K645 K646D519-N545 PolarHBondContact O-N 2.91Å; D519-N545 PolarHBondContact O-ND2 3.01Å; D519-K645 HydrophobicContact CB-CB 3.92Å; D519-K645 HydrophobicContact CB-CD 4.08Å; D519-K645 HydrophobicContact CB-CG 4.32Å; D519-K645 IonicContact OD1-NZ 2.88Å; D519-K645 PolarHBondContact OD1-NZ 3.48Å; D519-K645 WeakPolarHBondContact OD2-CA 3.31Å; D519-K646 PolarHBondContact N-O 3.35Å; D519-K646 PolarHBondContact OD2-N 2.92Å
520T98.4Very high96Very high0 Ų026.2 Ų26.20%014%0.136CC..EExtended strand (participates in β ladder)trans-143.8135.5-170.9-54.90000111.6V518 I522 N545 I547 Y641 K646 V647 V648V518-T520 WeakPolarHBondContact CG2-O 3.46Å; T520-I522 HydrophobicContact CG2-CG1 3.96Å; T520-N545 CarbonylContact C-O 3.5Å; T520-N545 VanDerWaalsContact CA-O 3.29Å; T520-N545 WeakPolarHBondContact CA-O 3.44Å; T520-N545 HydrophobicContact CG2-CB 4.13Å; T520-I547 HydrophobicContact CG2-CG1 3.77Å; T520-Y641 WeakPolarHBondContact CB-O 3.29Å; T520-Y641 PolarHBondContact OG1-O 2.77Å; T520-K646 PolarHBondContact N-O 3.35Å; T520-V647 HydrophobicContact CG2-CG1 4.35Å; T520-V647 CarbonylContact O-C 3.15Å; T520-V647 VanDerWaalsContact O-CA 3.31Å; T520-V647 WeakPolarHBondContact O-CA 3.46Å; T520-V648 PolarHBondContact O-N 3.27Å
521V98.8Very high95.9Very high0 Ų025.4 Ų25.40%013%0.133CC..EExtended strand (participates in β ladder)trans-121124.3168.7-174.60000110.7I511 V518 V523 I533 M537 I544 N545 I546 I547 V648 V650I511-V521 HydrophobicContact CD1-CG1 4.04Å; I511-V521 HydrophobicContact CG2-CG2 4.45Å; V518-V521 HydrophobicContact CG1-CG2 4.4Å; V518-V521 HydrophobicContact CG2-CG2 3.9Å; V521-V523 HydrophobicContact CG1-CG2 3.86Å; V521-I533 HydrophobicContact CG1-CG2 4.28Å; V521-M537 HydrophobicContact CB-SD 3.97Å; V521-M537 HydrophobicContact CG1-SD 4.32Å; V521-M537 HydrophobicContact CG2-CE 3.45Å; V521-M537 VanDerWaalsContact CG2-CE 3.45Å; V521-M537 HydrophobicContact CG2-SD 3.39Å; V521-M537 WeakPolarHBondContact CG2-SD 3.4Å; V521-I544 HydrophobicContact CG2-CG2 4.49Å; V521-N545 PolarHBondContact N-O 3Å; V521-I546 HydrophobicContact CB-CD1 4.09Å; V521-I547 PolarHBondContact O-N 3.45Å; V521-V648 CarbonylContact C-O 3.51Å; V521-V648 WeakPolarHBondContact CA-O 3.43Å; V521-V648 HydrophobicContact CG1-CB 4.41Å; V521-V648 HydrophobicContact CG2-CB 4.19Å; V521-V650 HydrophobicContact CG1-CG2 4.09Å
522I98.9Very high95.9Very high0 Ų025.4 Ų25.40%013%0.133CC..EExtended strand (participates in β ladder)trans-107.1120.1-176.7-55.3166.8000108.7T520 I547 V549 A629 I633 V638 V642 V647 V648 V650T520-I522 HydrophobicContact CG2-CG1 3.96Å; I522-I547 CarbonylContact C-O 3.34Å; I522-I547 WeakPolarHBondContact CA-O 3.24Å; I522-I547 HydrophobicContact CG1-CB 4.24Å; I522-V549 HydrophobicContact CG2-CG2 3.42Å; I522-V549 VanDerWaalsContact CG2-CG2 3.42Å; I522-A629 HydrophobicContact CB-CB 4.21Å; I522-A629 HydrophobicContact CG2-CB 3.74Å; I522-A629 WeakPolarHBondContact O-CB 3.45Å; I522-I633 HydrophobicContact CD1-CD1 3.77Å; I522-I633 HydrophobicContact CD1-CG1 3.6Å; I522-V638 HydrophobicContact CD1-CB 4.46Å; I522-V638 HydrophobicContact CD1-CG2 3.88Å; I522-V642 HydrophobicContact CD1-CG2 4.22Å; I522-V647 HydrophobicContact CD1-CG1 3.56Å; I522-V647 HydrophobicContact CG1-CG1 4.08Å; I522-V648 PolarHBondContact N-O 2.8Å; I522-V650 PolarHBondContact O-N 3.3Å
523V98.9Very high96.1Very high0 Ų024.6 Ų24.60%013%0.128CC..EExtended strand (participates in β ladder)trans-124.4127.2-165.8-170.50000111.2V521 V525 L529 I530 I533 I547 G548 V549 V650V521-V523 HydrophobicContact CG1-CG2 3.86Å; V523-V525 WeakPolarHBondContact O-CG2 3.5Å; V523-V525 PolarHBondContact O-N 2.92Å; V523-L529 HydrophobicContact CG1-CB 4.38Å; V523-L529 HydrophobicContact CG1-CD2 3.82Å; V523-L529 HydrophobicContact CG1-CG 3.63Å; V523-I530 HydrophobicContact CB-CB 4.18Å; V523-I530 HydrophobicContact CB-CD1 4.25Å; V523-I530 HydrophobicContact CB-CG1 4.11Å; V523-I530 HydrophobicContact CG1-CB 3.89Å; V523-I530 HydrophobicContact CG1-CG1 4.35Å; V523-I530 HydrophobicContact CG2-CG1 4.44Å; V523-I533 HydrophobicContact CG1-CD1 4.2Å; V523-I533 HydrophobicContact CG2-CD1 4.18Å; V523-I533 HydrophobicContact CG2-CG2 4.33Å; V523-I547 PolarHBondContact N-O 3.45Å; V523-G548 WeakPolarHBondContact O-CA 3.48Å; V523-V549 PolarHBondContact O-N 2.93Å; V523-V650 HydrophobicContact CG2-CG2 4.18Å
524P98.7Very high96.2Very high2 Ų219.1 Ų19.11%0.01310%0.099CC..EExtended strand (participates in β ladder)trans-61.7130.2167.4-23.635.6000111.6A625 L628 A629 V650P524-A625 WeakPolarHBondContact CB-O 3.38Å; P524-A625 WeakPolarHBondContact CG-O 3.38Å; P524-L628 HydrophobicContact CB-CB 4.1Å; P524-L628 HydrophobicContact CB-CD1 4.03Å; P524-L628 HydrophobicContact CG-CB 4.23Å; P524-A629 HydrophobicContact CG-CB 4.35Å; P524-V650 WeakPolarHBondContact CD-O 3.24Å; P524-V650 WeakPolarHBondContact CG-O 3.47Å
525V98.2Very high96.1Very high0 Ų015.9 Ų15.90%08%0.076CC..  trans-107113-171.1-178.10000112.5V523 I530 G548 V549 Q550 M557 C579 M599V523-V525 WeakPolarHBondContact O-CG2 3.5Å; V523-V525 PolarHBondContact O-N 2.92Å; V525-I530 HydrophobicContact CB-CG2 4.43Å; V525-I530 HydrophobicContact CG1-CG2 3.91Å; V525-I530 HydrophobicContact CG2-CB 4.09Å; V525-I530 HydrophobicContact CG2-CD1 3.59Å; V525-I530 HydrophobicContact CG2-CG1 4.45Å; V525-I530 HydrophobicContact CG2-CG2 3.88Å; V525-G548 VanDerWaalsContact CG2-CA 3.45Å; V525-V549 PolarHBondContact N-O 3.01Å; V525-Q550 HydrophobicContact CB-CG 3.71Å; V525-Q550 HydrophobicContact CG1-CG 4.3Å; V525-Q550 PolarHBondContact O-NE2 2.74Å; V525-M557 HydrophobicContact CG1-CB 3.74Å; V525-M557 HydrophobicContact CG1-CG 3.8Å; V525-C579 WeakPolarHBondContact O-CB 3.32Å; V525-M599 HydrophobicContact CB-CE 4.19Å; V525-M599 HydrophobicContact CG1-CE 4.15Å; V525-M599 HydrophobicContact CG2-CE 3.91Å; V525-M599 HydrophobicContact CG2-SD 4.27Å
526G90.1Very high96Very high15 Ų1515.1 Ų15.116%0.1557%0.072CC..SBendtrans-116.3-6.4156.900000113.6
527G90.6Very high96.1Very high1 Ų16.8 Ų6.81%0.014%0.041CC..SBendtrans135.5-103.5-17500000111.7L529 I530 A531G527-L529 VanDerWaalsContact C-N 3.27Å; G527-L529 PolarHBondContact O-N 2.78Å; G527-I530 VanDerWaalsContact O-CG2 3.26Å; G527-I530 WeakPolarHBondContact O-CG2 3.38Å; G527-I530 PolarHBondContact O-N 2.82Å; G527-A531 PolarHBondContact O-N 3.15Å
528G95.5Very high95.8Very high2 Ų25 Ų52%0.0213%0.03CC..Hα-helixtrans-59.1-22.3-16700000117.7Y495 G532 T588Y495-G528 WeakPolarHBondContact O-CA 3.22Å; G528-G532 PolarHBondContact O-N 2.78Å; G528-T588 VanDerWaalsContact N-CG2 3.35Å
529L98.5Very high95Very high4 Ų48.7 Ų8.72%0.0215%0.053CC..Hα-helixtrans-63.9-54.4175.8-177.854.1000111.9F399 Q504 I507 V523 G527 A531 I533 V650F399-L529 HydrophobicContact CD1-CD2 4.31Å; F399-L529 HydrophobicContact CD2-CB 4.17Å; F399-L529 HydrophobicContact CD2-CD1 3.65Å; F399-L529 HydrophobicContact CD2-CD2 4.11Å; F399-L529 HydrophobicContact CD2-CG 4.17Å; F399-L529 HydrophobicContact CE1-CD2 4.1Å; F399-L529 HydrophobicContact CE2-CB 3.53Å; F399-L529 HydrophobicContact CE2-CD1 3.94Å; F399-L529 HydrophobicContact CE2-CD2 3.95Å; F399-L529 HydrophobicContact CE2-CG 3.99Å; F399-L529 HydrophobicContact CG-CD1 4.25Å; F399-L529 HydrophobicContact CG-CD2 4.29Å; F399-L529 HydrophobicContact CZ-CB 3.89Å; F399-L529 HydrophobicContact CZ-CD2 3.89Å; F399-L529 HydrophobicContact CZ-CG 4.36Å; Q504-L529 HydrophobicContact CB-CD1 4.15Å; I507-L529 HydrophobicContact CD1-CD1 3.52Å; V523-L529 HydrophobicContact CG1-CB 4.38Å; V523-L529 HydrophobicContact CG1-CD2 3.82Å; V523-L529 HydrophobicContact CG1-CG 3.63Å; G527-L529 VanDerWaalsContact C-N 3.27Å; G527-L529 PolarHBondContact O-N 2.78Å; L529-A531 VanDerWaalsContact C-N 3.34Å; L529-I533 HydrophobicContact CD1-CD1 3.64Å; L529-I533 HydrophobicContact CD1-CG1 4.32Å; L529-I533 HydrophobicContact CG-CD1 4.1Å; L529-I533 WeakPolarHBondContact O-CG1 3.37Å; L529-I533 PolarHBondContact O-N 3.26Å; L529-I533 VanDerWaalsContact O-N 3.14Å; L529-V650 HydrophobicContact CD2-CG1 4.25Å
530I98.6Very high94.2Very high0 Ų011.8 Ų11.80%06%0.064CC..Hα-helixtrans-68.7-38.1-177.8-171166.9000110.6V523 V525 G527 I533 A534 I546 G548 V592 V596 M599V523-I530 HydrophobicContact CB-CB 4.18Å; V523-I530 HydrophobicContact CB-CD1 4.25Å; V523-I530 HydrophobicContact CB-CG1 4.11Å; V523-I530 HydrophobicContact CG1-CB 3.89Å; V523-I530 HydrophobicContact CG1-CG1 4.35Å; V523-I530 HydrophobicContact CG2-CG1 4.44Å; V525-I530 HydrophobicContact CB-CG2 4.43Å; V525-I530 HydrophobicContact CG1-CG2 3.91Å; V525-I530 HydrophobicContact CG2-CB 4.09Å; V525-I530 HydrophobicContact CG2-CD1 3.59Å; V525-I530 HydrophobicContact CG2-CG1 4.45Å; V525-I530 HydrophobicContact CG2-CG2 3.88Å; G527-I530 VanDerWaalsContact O-CG2 3.26Å; G527-I530 WeakPolarHBondContact O-CG2 3.38Å; G527-I530 PolarHBondContact O-N 2.82Å; I530-I533 PolarHBondContact O-N 3.18Å; I530-A534 WeakPolarHBondContact O-CB 3.43Å; I530-A534 PolarHBondContact O-N 2.89Å; I530-I546 HydrophobicContact CD1-CG2 4.13Å; I530-I546 HydrophobicContact CG1-CG2 3.87Å; I530-G548 VanDerWaalsContact CD1-CA 3.45Å; I530-V592 HydrophobicContact CG2-CG2 3.75Å; I530-V596 HydrophobicContact CD1-CG1 4.02Å; I530-V596 HydrophobicContact CD1-CG2 3.73Å; I530-V596 HydrophobicContact CG1-CG2 3.84Å; I530-M599 HydrophobicContact CD1-SD 4.36Å
531A97.5Very high93.3Very high0 Ų014.4 Ų14.40%08%0.078CC..Hα-helixtrans-61.3-50.6178.500000112M501 G527 L529 I533 A534 V535 T588 V591M501-A531 HydrophobicContact CE-CB 3.64Å; M501-A531 HydrophobicContact CG-CB 4.44Å; G527-A531 PolarHBondContact O-N 3.15Å; L529-A531 VanDerWaalsContact C-N 3.34Å; A531-I533 PolarHBondContact O-N 3.49Å; A531-A534 PolarHBondContact O-N 3.01Å; A531-V535 WeakPolarHBondContact O-CG2 3.43Å; A531-V535 PolarHBondContact O-N 2.98Å; A531-V535 VanDerWaalsContact O-N 3.12Å; A531-T588 HydrophobicContact CB-CG2 4.33Å; A531-V591 HydrophobicContact CB-CB 3.82Å; A531-V591 HydrophobicContact CB-CG1 3.78Å; A531-V591 HydrophobicContact CB-CG2 4.32Å; A531-V591 WeakPolarHBondContact O-CG1 3.44Å
532G98Very high92.3Very high0 Ų018.6 Ų18.60%011%0.106CC..Hα-helixtrans-61.8-42.817800000112.8I356 M501 G505 G528 A536I356-G532 WeakPolarHBondContact CD1-O 3.5Å; M501-G532 WeakPolarHBondContact O-CA 3.43Å; G505-G532 VanDerWaalsContact CA-O 3.23Å; G505-G532 WeakPolarHBondContact CA-O 3.42Å; G528-G532 PolarHBondContact O-N 2.78Å; G532-A536 PolarHBondContact O-N 2.87Å; G532-A536 VanDerWaalsContact O-N 3.15Å
533I98.6Very high91.6Very high0 Ų024.8 Ų24.80%014%0.139CC..Hα-helixtrans-65-42.6177.5-70174.3000110.7I507 V521 V523 L529 I530 A531 V535 A536 M537 I546 V650I507-I533 HydrophobicContact CB-CD1 4.17Å; I507-I533 HydrophobicContact CB-CG1 4.23Å; I507-I533 HydrophobicContact CG2-CD1 3.97Å; I507-I533 HydrophobicContact CG2-CG1 4.48Å; V521-I533 HydrophobicContact CG1-CG2 4.28Å; V523-I533 HydrophobicContact CG1-CD1 4.2Å; V523-I533 HydrophobicContact CG2-CD1 4.18Å; V523-I533 HydrophobicContact CG2-CG2 4.33Å; L529-I533 HydrophobicContact CD1-CD1 3.64Å; L529-I533 HydrophobicContact CD1-CG1 4.32Å; L529-I533 HydrophobicContact CG-CD1 4.1Å; L529-I533 WeakPolarHBondContact O-CG1 3.37Å; L529-I533 PolarHBondContact O-N 3.26Å; L529-I533 VanDerWaalsContact O-N 3.14Å; I530-I533 PolarHBondContact O-N 3.18Å; A531-I533 PolarHBondContact O-N 3.49Å; I533-V535 PolarHBondContact O-N 3.19Å; I533-A536 PolarHBondContact O-N 2.96Å; I533-M537 HydrophobicContact CG2-CG 4.09Å; I533-M537 HydrophobicContact CG2-SD 3.68Å; I533-M537 WeakPolarHBondContact O-CB 3.3Å; I533-M537 VanDerWaalsContact O-CG 3.25Å; I533-M537 WeakPolarHBondContact O-CG 3.38Å; I533-M537 PolarHBondContact O-N 3.49Å; I533-I546 HydrophobicContact CG2-CD1 4.49Å; I533-V650 HydrophobicContact CD1-CG2 4.23Å
534A97.5Very high91.1Very high0 Ų024.9 Ų24.90%014%0.139CC..Hα-helixtrans-59.5-47.9-179.200000111.5I530 A531 M537 K538 I546 V591 L595 V596I530-A534 WeakPolarHBondContact O-CB 3.43Å; I530-A534 PolarHBondContact O-N 2.89Å; A531-A534 PolarHBondContact O-N 3.01Å; A534-M537 PolarHBondContact O-N 2.81Å; A534-K538 VanDerWaalsContact O-CB 3.25Å; A534-K538 WeakPolarHBondContact O-CB 3.24Å; A534-K538 WeakPolarHBondContact O-CG 3.31Å; A534-K538 PolarHBondContact O-N 3.34Å; A534-I546 HydrophobicContact CB-CG1 4.47Å; A534-I546 HydrophobicContact CB-CG2 4.21Å; A534-V591 HydrophobicContact CB-CG1 4.38Å; A534-L595 HydrophobicContact CB-CB 3.85Å; A534-L595 HydrophobicContact CB-CD1 4.22Å; A534-V596 HydrophobicContact CB-CG2 4.39Å
535V93.4Very high91Very high2 Ų226.8 Ų26.81%0.01215%0.149CC..Hα-helixtrans-58.6-52.6175.2175.10000110.6L349 V351 I356 A531 I533 M537 T539 V591 L595L349-V535 HydrophobicContact CD1-CG2 4.2Å; V351-V535 WeakPolarHBondContact O-CG1 3.48Å; I356-V535 HydrophobicContact CD1-CB 3.81Å; I356-V535 HydrophobicContact CD1-CG1 3.64Å; A531-V535 WeakPolarHBondContact O-CG2 3.43Å; A531-V535 PolarHBondContact O-N 2.98Å; A531-V535 VanDerWaalsContact O-N 3.12Å; I533-V535 PolarHBondContact O-N 3.19Å; V535-M537 PolarHBondContact O-N 2.83Å; V535-T539 WeakPolarHBondContact O-CB 3.34Å; V535-T539 PolarHBondContact O-N 2.73Å; V535-T539 PolarHBondContact O-OG1 3.36Å; V535-V591 HydrophobicContact CG2-CG1 3.75Å; V535-L595 HydrophobicContact CB-CD1 4.39Å; V535-L595 HydrophobicContact CG2-CD1 3.83Å
536A93.2Very high91Very high0 Ų026.8 Ų26.80%015%0.149CC..Hα-helixtrans-55.4-40.4-178.400000113I356 L509 G532 I533I356-A536 HydrophobicContact CD1-CB 3.98Å; I356-A536 HydrophobicContact CG2-CB 4.4Å; L509-A536 HydrophobicContact CD2-CB 4.24Å; L509-A536 HydrophobicContact CG-CB 4.48Å; G532-A536 PolarHBondContact O-N 2.87Å; G532-A536 VanDerWaalsContact O-N 3.15Å; I533-A536 PolarHBondContact O-N 2.96Å
537M90.5Very high91.4Very high0 Ų026.1 Ų26.10%014%0.142CC..Hα-helixtrans-88.2-43.7-172.3-63.3-164.183.800113.3I511 L512 V518 V521 I533 A534 V535 T539 F540 N541 I544 I546I511-M537 HydrophobicContact CG2-CE 3.9Å; L512-M537 HydrophobicContact CD2-CE 3.86Å; L512-M537 HydrophobicContact CG-CE 4.22Å; V518-M537 HydrophobicContact CG1-CE 3.44Å; V518-M537 VanDerWaalsContact CG1-CE 3.44Å; V521-M537 HydrophobicContact CB-SD 3.97Å; V521-M537 HydrophobicContact CG1-SD 4.32Å; V521-M537 HydrophobicContact CG2-CE 3.45Å; V521-M537 VanDerWaalsContact CG2-CE 3.45Å; V521-M537 HydrophobicContact CG2-SD 3.39Å; V521-M537 WeakPolarHBondContact CG2-SD 3.4Å; I533-M537 HydrophobicContact CG2-CG 4.09Å; I533-M537 HydrophobicContact CG2-SD 3.68Å; I533-M537 WeakPolarHBondContact O-CB 3.3Å; I533-M537 VanDerWaalsContact O-CG 3.25Å; I533-M537 WeakPolarHBondContact O-CG 3.38Å; I533-M537 PolarHBondContact O-N 3.49Å; A534-M537 PolarHBondContact O-N 2.81Å; V535-M537 PolarHBondContact O-N 2.83Å; M537-T539 VanDerWaalsContact C-N 3.3Å; M537-T539 PolarHBondContact O-N 2.73Å; M537-F540 PolarHBondContact O-N 3.45Å; M537-F540 VanDerWaalsContact O-N 3.13Å; M537-N541 PolarHBondContact O-N 3.43Å; M537-I544 HydrophobicContact CE-CD1 4Å; M537-I544 HydrophobicContact CE-CG2 3.93Å; M537-I546 HydrophobicContact CB-CD1 3.98Å; M537-I546 HydrophobicContact CG-CD1 4.43Å; M537-I546 HydrophobicContact SD-CD1 3.85Å
538K85.4Confident91.8Very high25 Ų2526 Ų2611%0.10914%0.141CC..Hα-helixtrans-67.6-31.9179.9-70.2-66.1-159.7-178.60112A534 F540 N541 P542 I544 I546 L595 D597A534-K538 VanDerWaalsContact O-CB 3.25Å; A534-K538 WeakPolarHBondContact O-CB 3.24Å; A534-K538 WeakPolarHBondContact O-CG 3.31Å; A534-K538 PolarHBondContact O-N 3.34Å; K538-F540 VanDerWaalsContact C-N 3.31Å; K538-F540 PolarHBondContact O-N 2.91Å; K538-N541 CarbonylContact O-C 3.58Å; K538-P542 WeakPolarHBondContact CD-O 3.49Å; K538-P542 PolarHBondContact NZ-O 3.16Å; K538-I544 VanDerWaalsContact CE-O 3.28Å; K538-I544 WeakPolarHBondContact CE-O 3.47Å; K538-I544 PolarHBondContact NZ-O 2.83Å; K538-I546 HydrophobicContact CG-CG1 4.42Å; K538-L595 HydrophobicContact CB-CD1 4.34Å; K538-L595 HydrophobicContact CB-CD2 4.19Å; K538-L595 WeakPolarHBondContact CE-O 3.48Å; K538-L595 HydrophobicContact CG-CB 4.17Å; K538-L595 HydrophobicContact CG-CD2 4.31Å; K538-D597 VanDerWaalsContact CE-OD2 3.29Å; K538-D597 WeakPolarHBondContact CE-OD2 3.47Å; K538-D597 IonicContact NZ-OD1 2.65Å; K538-D597 PolarHBondContact NZ-OD1 3.02Å; K538-D597 IonicContact NZ-OD2 2.65Å; K538-D597 PolarHBondContact NZ-OD2 3.45Å
539T78.8Confident92Very high83 Ų8326 Ų2651%0.50914%0.14SC..Hα-helixtrans-65.8-34172.2-58.40000112.3I353 V535 M537I353-T539 HydrophobicContact CB-CG2 3.87Å; I353-T539 HydrophobicContact CG1-CG2 4.1Å; I353-T539 HydrophobicContact CG2-CG2 3.89Å; V535-T539 WeakPolarHBondContact O-CB 3.34Å; V535-T539 PolarHBondContact O-N 2.73Å; V535-T539 PolarHBondContact O-OG1 3.36Å; M537-T539 VanDerWaalsContact C-N 3.3Å; M537-T539 PolarHBondContact O-N 2.73Å
540F80Confident92Very high114 Ų11425.8 Ų25.850%0.514%0.14SC..Hα-helixtrans-75-47.8175.6174.4-100.8000112.3L512 M537 K538 I544L512-F540 HydrophobicContact CD1-CB 3.65Å; L512-F540 HydrophobicContact CD1-CD1 4.07Å; L512-F540 HydrophobicContact CD1-CD2 4.5Å; L512-F540 HydrophobicContact CD1-CG 3.82Å; L512-F540 HydrophobicContact CD2-CD1 3.53Å; L512-F540 HydrophobicContact CD2-CE1 3.92Å; L512-F540 HydrophobicContact CD2-CG 4.16Å; L512-F540 HydrophobicContact CG-CD1 4.41Å; M537-F540 PolarHBondContact O-N 3.45Å; M537-F540 VanDerWaalsContact O-N 3.13Å; K538-F540 VanDerWaalsContact C-N 3.31Å; K538-F540 PolarHBondContact O-N 2.91Å; F540-I544 HydrophobicContact CD1-CD1 4.26Å
541N79.4Confident92Very high54 Ų5425.9 Ų25.929%0.28914%0.14SC..  trans-150.6110.5177.6176.45.5000109.9M537 K538 N543 I544M537-N541 PolarHBondContact O-N 3.43Å; K538-N541 CarbonylContact O-C 3.58Å; N541-N543 PolarHBondContact O-N 2.97Å; N541-N543 VanDerWaalsContact O-N 3.09Å; N541-N543 WeakPolarHBondContact OD1-CB 3.45Å; N541-N543 PolarHBondContact OD1-N 3Å; N541-N543 PolarHBondContact OD1-ND2 3.33Å; N541-I544 HydrophobicContact CB-CD1 3.88Å; N541-I544 HydrophobicContact CB-CG1 3.9Å; N541-I544 PolarHBondContact O-N 2.79Å; N541-I544 VanDerWaalsContact O-N 3.15Å
542P78.1Confident92Very high89 Ų8929.4 Ų29.458%0.57816%0.157SC*.THydrogen-bonded Turntrans-65.3-16.2-176.425.5-34.3000113.7K538 I544K538-P542 WeakPolarHBondContact CD-O 3.49Å; K538-P542 PolarHBondContact NZ-O 3.16Å; P542-I544 VanDerWaalsContact C-N 3.35Å
543N83.4Confident92Very high130 Ų13031 Ų3170%0.69517%0.165SC*.THydrogen-bonded Turntrans-82.1-7.7178.8-60.8-58.7000114.1N541 N545N541-N543 PolarHBondContact O-N 2.97Å; N541-N543 VanDerWaalsContact O-N 3.09Å; N541-N543 WeakPolarHBondContact OD1-CB 3.45Å; N541-N543 PolarHBondContact OD1-N 3Å; N541-N543 PolarHBondContact OD1-ND2 3.33Å; N543-N545 PolarHBondContact O-N 2.86Å
544I88.4Confident92Very high1 Ų131.4 Ų31.41%0.00517%0.167CC..SBendtrans-68.8126.1174.3-62.1177.9000108.2L512 V518 V521 M537 K538 F540 N541 P542 I546L512-I544 HydrophobicContact CD2-CD1 3.99Å; V518-I544 HydrophobicContact CG1-CD1 4.11Å; V518-I544 HydrophobicContact CG1-CG2 4.44Å; V521-I544 HydrophobicContact CG2-CG2 4.49Å; M537-I544 HydrophobicContact CE-CD1 4Å; M537-I544 HydrophobicContact CE-CG2 3.93Å; K538-I544 VanDerWaalsContact CE-O 3.28Å; K538-I544 WeakPolarHBondContact CE-O 3.47Å; K538-I544 PolarHBondContact NZ-O 2.83Å; F540-I544 HydrophobicContact CD1-CD1 4.26Å; N541-I544 HydrophobicContact CB-CD1 3.88Å; N541-I544 HydrophobicContact CB-CG1 3.9Å; N541-I544 PolarHBondContact O-N 2.79Å; N541-I544 VanDerWaalsContact O-N 3.15Å; P542-I544 VanDerWaalsContact C-N 3.35Å; I544-I546 HydrophobicContact CG2-CD1 4.08Å
545N97.6Very high92Very high43 Ų4332.2 Ų32.223%0.2317%0.171CC..EExtended strand (participates in β ladder)trans-80125.9179-58.8-83.8000110.2D519 T520 V521 N543 I547 D597 Y641D519-N545 PolarHBondContact O-N 2.91Å; D519-N545 PolarHBondContact O-ND2 3.01Å; T520-N545 CarbonylContact C-O 3.5Å; T520-N545 VanDerWaalsContact CA-O 3.29Å; T520-N545 WeakPolarHBondContact CA-O 3.44Å; T520-N545 HydrophobicContact CG2-CB 4.13Å; V521-N545 PolarHBondContact N-O 3Å; N543-N545 PolarHBondContact O-N 2.86Å; N545-I547 HydrophobicContact CB-CD1 4.25Å; N545-D597 VanDerWaalsContact CA-OD2 3.29Å; N545-D597 WeakPolarHBondContact CA-OD2 3.47Å; N545-Y641 HydrophobicContact CB-CD1 4.02Å; N545-Y641 HydrophobicContact CB-CE1 4.36Å
546I98.4Very high92.1Very high0 Ų032.1 Ų32.10%017%0.17CC..EExtended strand (participates in β ladder)trans-108.8117.2173.8-53.4-59.6000108.2V521 I530 I533 A534 M537 K538 I544 V596 D597V521-I546 HydrophobicContact CB-CD1 4.09Å; I530-I546 HydrophobicContact CD1-CG2 4.13Å; I530-I546 HydrophobicContact CG1-CG2 3.87Å; I533-I546 HydrophobicContact CG2-CD1 4.49Å; A534-I546 HydrophobicContact CB-CG1 4.47Å; A534-I546 HydrophobicContact CB-CG2 4.21Å; M537-I546 HydrophobicContact CB-CD1 3.98Å; M537-I546 HydrophobicContact CG-CD1 4.43Å; M537-I546 HydrophobicContact SD-CD1 3.85Å; K538-I546 HydrophobicContact CG-CG1 4.42Å; I544-I546 HydrophobicContact CG2-CD1 4.08Å; I546-V596 HydrophobicContact CG2-CG2 4.1Å; I546-V596 WeakPolarHBondContact O-CG1 3.33Å; I546-D597 PolarHBondContact N-OD2 3.06Å; I546-D597 PolarHBondContact O-N 3.29Å
547I98.7Very high92.3Very high0 Ų032.3 Ų32.30%017%0.171CC..EExtended strand (participates in β ladder)trans-119.6120.7-173.4-47.2-62000109.8T520 V521 I522 V523 N545 D597 D598 V638 Y641T520-I547 HydrophobicContact CG2-CG1 3.77Å; V521-I547 PolarHBondContact O-N 3.45Å; I522-I547 CarbonylContact C-O 3.34Å; I522-I547 WeakPolarHBondContact CA-O 3.24Å; I522-I547 HydrophobicContact CG1-CB 4.24Å; V523-I547 PolarHBondContact N-O 3.45Å; N545-I547 HydrophobicContact CB-CD1 4.25Å; I547-D597 HydrophobicContact CD1-CB 4.3Å; I547-D598 WeakPolarHBondContact CA-O 3.42Å; I547-D598 HydrophobicContact CD1-CB 3.7Å; I547-D598 HydrophobicContact CG2-CB 4.35Å; I547-V638 HydrophobicContact CG2-CG1 3.86Å; I547-Y641 HydrophobicContact CD1-CD1 4.02Å; I547-Y641 HydrophobicContact CD1-CD2 3.66Å; I547-Y641 HydrophobicContact CD1-CE1 3.92Å; I547-Y641 HydrophobicContact CD1-CE2 3.54Å; I547-Y641 HydrophobicContact CD1-CG 3.9Å; I547-Y641 HydrophobicContact CG1-CD2 4.04Å; I547-Y641 HydrophobicContact CG1-CE2 4.39Å; I547-Y641 HydrophobicContact CG1-CG 4.17Å
548G98.7Very high92.7Very high0 Ų032.3 Ų32.30%017%0.171CC..EExtended strand (participates in β ladder)trans-91.2144.3177.100000113.5V523 V525 I530 D598 M599 V600V523-G548 WeakPolarHBondContact O-CA 3.48Å; V525-G548 VanDerWaalsContact CG2-CA 3.45Å; I530-G548 VanDerWaalsContact CD1-CA 3.45Å; G548-D598 PolarHBondContact N-O 3.02Å; G548-M599 VanDerWaalsContact CA-SD 3.52Å; G548-M599 WeakPolarHBondContact O-CA 3.32Å; G548-V600 PolarHBondContact O-N 3.31Å
549V98.9Very high93.3Very high0 Ų031.8 Ų31.80%017%0.172CC..EExtended strand (participates in β ladder)trans-126.6129.7176.9-168.40000111.2I522 V523 V525 V600 V602 L628 A632I522-V549 HydrophobicContact CG2-CG2 3.42Å; I522-V549 VanDerWaalsContact CG2-CG2 3.42Å; V523-V549 PolarHBondContact O-N 2.93Å; V525-V549 PolarHBondContact N-O 3.01Å; V549-V600 WeakPolarHBondContact CA-O 3.33Å; V549-V600 HydrophobicContact CB-CG2 4.35Å; V549-V600 HydrophobicContact CG1-CG2 4.21Å; V549-V600 HydrophobicContact CG2-CG2 3.79Å; V549-V602 HydrophobicContact CG1-CG1 4.09Å; V549-V602 HydrophobicContact CG1-CG2 3.94Å; V549-L628 HydrophobicContact CB-CB 4.18Å; V549-L628 HydrophobicContact CG1-CB 3.95Å; V549-L628 HydrophobicContact CG1-CD2 4.32Å; V549-L628 WeakPolarHBondContact CG1-O 3.48Å; V549-A632 HydrophobicContact CB-CB 4.49Å; V549-A632 HydrophobicContact CG1-CB 3.93Å; V549-A632 HydrophobicContact CG2-CB 3.7Å
550Q98.6Very high94.2Very high1 Ų127.8 Ų27.81%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-127.7167170.5-62.9-162-77.500111.4V525 H555 T558 M599 V600 T601 V602V525-Q550 HydrophobicContact CB-CG 3.71Å; V525-Q550 HydrophobicContact CG1-CG 4.3Å; V525-Q550 PolarHBondContact O-NE2 2.74Å; Q550-H555 HydrophobicContact CB-CB 3.58Å; Q550-H555 HydrophobicContact CG-CB 4.35Å; Q550-H555 PolarHBondContact OE1-O 3.39Å; Q550-T558 PolarHBondContact OE1-OG1 2.81Å; Q550-M599 HydrophobicContact CG-CE 4.43Å; Q550-V600 PolarHBondContact N-O 3.18Å; Q550-V600 VanDerWaalsContact N-O 3.11Å; Q550-T601 CarbonylContact O-C 3.55Å; Q550-T601 WeakPolarHBondContact O-CA 3.42Å; Q550-V602 PolarHBondContact O-N 3.32Å
551A98.5Very high95Very high2 Ų225 Ų252%0.01714%0.135CC..EExtended strand (participates in β ladder)trans-77.4144173.200000110.8N553 I554 H555 T574 A576 V602 I607 L628A551-N553 PolarHBondContact O-N 2.78Å; A551-N553 VanDerWaalsContact O-N 3.13Å; A551-I554 CarbonylContact O-C 3.37Å; A551-I554 PolarHBondContact O-N 2.75Å; A551-I554 VanDerWaalsContact O-O 3.06Å; A551-H555 WeakPolarHBondContact O-CB 3.48Å; A551-H555 PolarHBondContact O-CD2 3.1Å; A551-T574 HydrophobicContact CB-CG2 4.28Å; A551-T574 WeakPolarHBondContact CB-OG1 3.2Å; A551-A576 HydrophobicContact CB-CB 4.45Å; A551-V602 CarbonylContact C-O 3.46Å; A551-V602 WeakPolarHBondContact CA-O 3.43Å; A551-I607 HydrophobicContact CB-CD1 3.82Å; A551-L628 HydrophobicContact CB-CD2 4.49Å
552E98.4Very high95.8Very high73 Ų7329.1 Ų29.134%0.34115%0.147SC..THydrogen-bonded Turntrans-58.3-25.7176.3-78.3175.5-174.500113.1H555 Y569 V602 S603 K637E552-H555 PolarHBondContact O-CD2 2.94Å; E552-H555 PolarHBondContact O-NE2 2.94Å; E552-Y569 WeakPolarHBondContact O-CE1 3.44Å; E552-V602 PolarHBondContact N-O 2.85Å; E552-S603 WeakPolarHBondContact OE2-CB 3.49Å; E552-K637 IonicContact OE1-NZ 3.96Å; E552-K637 PolarHBondContact OE1-NZ 3.31Å
553N98.2Very high96.5Very high33 Ų3330.7 Ų30.718%0.17615%0.146CC..THydrogen-bonded Turntrans-77.5-31.6-178.6-73.4-7.5000113.5A551 K571 A572 A573 E604A551-N553 PolarHBondContact O-N 2.78Å; A551-N553 VanDerWaalsContact O-N 3.13Å; N553-K571 PolarHBondContact O-N 2.91Å; N553-A572 HydrophobicContact CB-CB 4.28Å; N553-A573 PolarHBondContact ND2-O 3.21Å; N553-E604 VanDerWaalsContact ND2-CG 3.26Å; N553-E604 WeakPolarHBondContact ND2-CG 3.21Å; N553-E604 PolarHBondContact ND2-OE1 3.33Å
554I97.2Very high96.6Very high10 Ų1026.7 Ų26.75%0.05114%0.136CC..BIsolated β-bridgetrans-147.4110.6-178.7-50.4-175.2000108.9A551 K570 A572 T574 A580A551-I554 CarbonylContact O-C 3.37Å; A551-I554 PolarHBondContact O-N 2.75Å; A551-I554 VanDerWaalsContact O-O 3.06Å; I554-K570 HydrophobicContact CD1-CD 4.46Å; I554-K570 HydrophobicContact CD1-CG 4.12Å; I554-K570 HydrophobicContact CG1-CG 4.09Å; I554-A572 WeakPolarHBondContact CD1-O 3.45Å; I554-A572 WeakPolarHBondContact CG1-O 3.43Å; I554-T574 HydrophobicContact CB-CG2 4.42Å; I554-T574 HydrophobicContact CD1-CG2 4.13Å; I554-T574 HydrophobicContact CG1-CG2 4.28Å; I554-A580 HydrophobicContact CD1-CB 3.88Å
555H97.4Very high96.6Very high16 Ų1632.6 Ų32.67%0.07416%0.161CC..  trans-15056.2-173.75868.7000113.4Q550 A551 E552 M557 T558 A559 Y569 T601Q550-H555 HydrophobicContact CB-CB 3.58Å; Q550-H555 HydrophobicContact CG-CB 4.35Å; Q550-H555 PolarHBondContact OE1-O 3.39Å; A551-H555 WeakPolarHBondContact O-CB 3.48Å; A551-H555 PolarHBondContact O-CD2 3.1Å; E552-H555 PolarHBondContact O-CD2 2.94Å; E552-H555 PolarHBondContact O-NE2 2.94Å; H555-M557 VanDerWaalsContact C-N 3.28Å; H555-M557 PolarHBondContact O-N 3.36Å; H555-T558 PolarHBondContact O-N 3.46Å; H555-A559 WeakPolarHBondContact O-CB 3.34Å; H555-A559 PolarHBondContact O-N 2.91Å; H555-Y569 AromaticContact CD2-CD1 3.61Å; H555-Y569 AromaticContact CD2-CE1 3.72Å; H555-Y569 AromaticContact CE1-CD1 3.31Å; H555-Y569 WeakPolarHBondContact CE1-CD1 3.36Å; H555-Y569 AromaticContact CE1-CD2 3.56Å; H555-Y569 AromaticContact CE1-CE1 3.59Å; H555-Y569 AromaticContact CE1-CE2 3.8Å; H555-Y569 AromaticContact CE1-CG 3.3Å; H555-Y569 AromaticContact CE1-CZ 3.81Å; H555-Y569 AromaticContact CG-CD1 3.89Å; H555-Y569 PolarHBondContact N-O 3.42Å; H555-Y569 AromaticContact ND1-CD1 3.7Å; H555-Y569 AromaticContact ND1-CG 3.67Å; H555-Y569 AromaticContact NE2-CD1 3.28Å; H555-Y569 VanDerWaalsContact NE2-CD1 3.28Å; H555-Y569 WeakPolarHBondContact NE2-CD1 3.17Å; H555-Y569 AromaticContact NE2-CE1 3.15Å; H555-Y569 WeakPolarHBondContact NE2-CE1 3.37Å; H555-Y569 AromaticContact NE2-CE2 3.98Å; H555-Y569 AromaticContact NE2-CG 3.78Å; H555-Y569 AromaticContact NE2-CZ 3.51Å; H555-T601 HydrophobicContact CB-CG2 3.97Å
556G96.3Very high96.3Very high0 Ų034.5 Ų34.50%017%0.168CC..Hα-helixtrans-53.3-41.4-178.400000114.4S560 V581 E582G556-S560 VanDerWaalsContact O-CB 3.31Å; G556-S560 WeakPolarHBondContact O-CB 3.32Å; G556-S560 PolarHBondContact O-N 2.84Å; G556-S560 PolarHBondContact O-OG 3.06Å; G556-V581 PolarHBondContact N-O 2.98Å; G556-V581 VanDerWaalsContact N-O 3.14Å; G556-E582 WeakPolarHBondContact CA-O 3.31Å
557M98Very high96.1Very high4 Ų436.4 Ų36.42%0.0218%0.179CC..Hα-helixtrans-69.3-45.9179.7-167.370.178.100111.3V525 H555 A559 S560 F561 P584 F589 V592 M599V525-M557 HydrophobicContact CG1-CB 3.74Å; V525-M557 HydrophobicContact CG1-CG 3.8Å; H555-M557 VanDerWaalsContact C-N 3.28Å; H555-M557 PolarHBondContact O-N 3.36Å; M557-A559 VanDerWaalsContact C-N 3.34Å; M557-A559 PolarHBondContact O-N 2.9Å; M557-S560 PolarHBondContact O-N 2.76Å; M557-F561 WeakPolarHBondContact O-CB 3.08Å; M557-F561 PolarHBondContact O-N 2.87Å; M557-P584 HydrophobicContact CB-CB 4.43Å; M557-P584 HydrophobicContact CE-CB 3.49Å; M557-P584 VanDerWaalsContact CE-CB 3.49Å; M557-P584 HydrophobicContact SD-CB 3.51Å; M557-P584 VanDerWaalsContact SD-CB 3.51Å; M557-P584 HydrophobicContact SD-CG 4.29Å; M557-F589 HydrophobicContact SD-CB 4.22Å; M557-F589 HydrophobicContact SD-CD2 3.78Å; M557-V592 HydrophobicContact CE-CG2 4.17Å; M557-V592 HydrophobicContact CG-CG1 3.99Å; M557-V592 HydrophobicContact CG-CG2 4.35Å; M557-V592 HydrophobicContact SD-CB 4.07Å; M557-V592 HydrophobicContact SD-CG1 4.03Å; M557-V592 HydrophobicContact SD-CG2 4.08Å; M557-M599 HydrophobicContact CB-CE 4.12Å; M557-M599 HydrophobicContact CG-CE 3.98Å
558T98.4Very high95.9Very high0 Ų037.7 Ų37.70%019%0.193CC..Hα-helixtrans-63.6-39.9178.4-54.80000112.1Q550 H555 R562 M599 T601Q550-T558 PolarHBondContact OE1-OG1 2.81Å; H555-T558 PolarHBondContact O-N 3.46Å; T558-R562 VanDerWaalsContact O-CG 3.31Å; T558-R562 WeakPolarHBondContact O-CG 3.16Å; T558-R562 PolarHBondContact O-N 3.14Å; T558-R562 VanDerWaalsContact O-N 3.16Å; T558-M599 HydrophobicContact CG2-CB 3.77Å; T558-M599 WeakPolarHBondContact OG1-CE 3.48Å; T558-T601 HydrophobicContact CG2-CG2 3.84Å
559A97.9Very high95.8Very high14 Ų1441.7 Ų41.712%0.11621%0.208CC..Hα-helixtrans-63.3-44.7174.800000110.7H555 M557 R562 E563 V567H555-A559 WeakPolarHBondContact O-CB 3.34Å; H555-A559 PolarHBondContact O-N 2.91Å; M557-A559 VanDerWaalsContact C-N 3.34Å; M557-A559 PolarHBondContact O-N 2.9Å; A559-R562 PolarHBondContact O-N 3.25Å; A559-E563 WeakPolarHBondContact O-CG 3.49Å; A559-E563 PolarHBondContact O-N 3.16Å; A559-E563 VanDerWaalsContact O-N 3.13Å; A559-V567 HydrophobicContact CB-CG2 3.69Å
560S97.8Very high95.6Very high0 Ų047.6 Ų47.60%023%0.234CC..Hα-helixtrans-64.6-42.2179-57.30000113.3G556 M557 R562 E563 G564 K565 K566 V567 P584 F589G556-S560 VanDerWaalsContact O-CB 3.31Å; G556-S560 WeakPolarHBondContact O-CB 3.32Å; G556-S560 PolarHBondContact O-N 2.84Å; G556-S560 PolarHBondContact O-OG 3.06Å; M557-S560 PolarHBondContact O-N 2.76Å; S560-R562 VanDerWaalsContact C-N 3.34Å; S560-R562 PolarHBondContact O-N 3.37Å; S560-E563 PolarHBondContact O-N 2.98Å; S560-G564 PolarHBondContact O-N 2.9Å; S560-K565 CarbonylContact C-O 3.52Å; S560-K565 WeakPolarHBondContact CA-O 3.48Å; S560-K565 WeakPolarHBondContact CB-O 3.31Å; S560-K565 PolarHBondContact O-N 3.26Å; S560-K566 WeakPolarHBondContact OG-CA 3.43Å; S560-V567 PolarHBondContact OG-N 3.44Å; S560-V567 PolarHBondContact OG-O 2.94Å; S560-P584 WeakPolarHBondContact OG-CD 3.29Å; S560-P584 VanDerWaalsContact OG-CG 3.29Å; S560-P584 WeakPolarHBondContact OG-CG 3.26Å; S560-F589 VanDerWaalsContact CB-CE2 3.41Å
561F96.9Very high95.4Very high54 Ų5455.2 Ų55.224%0.23727%0.267CS..Hα-helixtrans-59.4-44.5176.7179.2-94.1000111.6M557 E563 G564 V592 V596 M599M557-F561 WeakPolarHBondContact O-CB 3.08Å; M557-F561 PolarHBondContact O-N 2.87Å; F561-E563 VanDerWaalsContact C-N 3.34Å; F561-E563 PolarHBondContact O-N 3.15Å; F561-G564 PolarHBondContact O-N 3.14Å; F561-V592 HydrophobicContact CD2-CG1 4Å; F561-V596 HydrophobicContact CE2-CB 4.45Å; F561-V596 WeakPolarHBondContact CE2-O 2.92Å; F561-M599 HydrophobicContact CB-CB 4.42Å; F561-M599 HydrophobicContact CB-CG 3.86Å; F561-M599 HydrophobicContact CD1-CB 3.79Å; F561-M599 HydrophobicContact CD1-CG 3.61Å; F561-M599 HydrophobicContact CD2-CG 3.93Å; F561-M599 HydrophobicContact CE1-CB 4.28Å; F561-M599 HydrophobicContact CE1-CG 4.08Å; F561-M599 HydrophobicContact CE2-CG 4.36Å; F561-M599 HydrophobicContact CG-CB 4.15Å; F561-M599 HydrophobicContact CG-CG 3.52Å; F561-M599 HydrophobicContact CZ-CG 4.43Å
562R96.1Very high95.2Very high141 Ų14157.3 Ų57.353%0.53228%0.284SS..Hα-helixtrans-69.1-31.9179.3-70.2172.9-176164.44.3113.2T558 A559 S560 M599T558-R562 VanDerWaalsContact O-CG 3.31Å; T558-R562 WeakPolarHBondContact O-CG 3.16Å; T558-R562 PolarHBondContact O-N 3.14Å; T558-R562 VanDerWaalsContact O-N 3.16Å; A559-R562 PolarHBondContact O-N 3.25Å; S560-R562 VanDerWaalsContact C-N 3.34Å; S560-R562 PolarHBondContact O-N 3.37Å; R562-M599 PolarHBondContact NH2-O 3.34Å
563E93.1Very high94.8Very high123 Ų12357.9 Ų57.958%0.57530%0.301SS*.Hα-helixtrans-86.4-9179.4-67.1-69.2145.400113.3A559 S560 F561 K565 V567A559-E563 WeakPolarHBondContact O-CG 3.49Å; A559-E563 PolarHBondContact O-N 3.16Å; A559-E563 VanDerWaalsContact O-N 3.13Å; S560-E563 PolarHBondContact O-N 2.98Å; F561-E563 VanDerWaalsContact C-N 3.34Å; F561-E563 PolarHBondContact O-N 3.15Å; E563-K565 HydrophobicContact CB-CG 4.15Å; E563-K565 PolarHBondContact O-N 2.94Å; E563-V567 HydrophobicContact CG-CG2 4.22Å
564G86.2Confident94.6Very high46 Ų4657.2 Ų57.247%0.47430%0.299SS..THydrogen-bonded Turntrans62.322.7-173.300000113.6S560 F561S560-G564 PolarHBondContact O-N 2.9Å; F561-G564 PolarHBondContact O-N 3.14Å
565K87.8Confident94.4Very high124 Ų12457.4 Ų57.454%0.53930%0.299SS..SBendtrans-162.6153.9178.766-174.2176.5-1730111S560 E563 V567S560-K565 CarbonylContact C-O 3.52Å; S560-K565 WeakPolarHBondContact CA-O 3.48Å; S560-K565 WeakPolarHBondContact CB-O 3.31Å; S560-K565 PolarHBondContact O-N 3.26Å; E563-K565 HydrophobicContact CB-CG 4.15Å; E563-K565 PolarHBondContact O-N 2.94Å; K565-V567 HydrophobicContact CG-CG1 4.24Å; K565-V567 PolarHBondContact O-N 3.16Å
566K90.2Very high94.3Very high84 Ų8456.6 Ų56.637%0.36530%0.296SS..  trans-61.4119.5178.4-62.2-173.274.1-162.60112.2S560 P584 N586 F589S560-K566 WeakPolarHBondContact OG-CA 3.43Å; K566-P584 HydrophobicContact CB-CG 4.48Å; K566-P584 WeakPolarHBondContact CE-O 3.46Å; K566-P584 HydrophobicContact CG-CG 4.27Å; K566-P584 PolarHBondContact NZ-O 3.23Å; K566-N586 PolarHBondContact NZ-OD1 3.49Å; K566-F589 HydrophobicContact CD-CB 4.42Å; K566-F589 HydrophobicContact CD-CD1 4.17Å; K566-F589 HydrophobicContact CD-CG 4.44Å; K566-F589 HydrophobicContact CG-CB 4.27Å; K566-F589 HydrophobicContact CG-CD1 3.46Å; K566-F589 VanDerWaalsContact CG-CD1 3.46Å; K566-F589 HydrophobicContact CG-CD2 4.46Å; K566-F589 HydrophobicContact CG-CE1 3.89Å; K566-F589 HydrophobicContact CG-CG 3.79Å
567V94.9Very high93.9Very high39 Ų3960.4 Ų60.424%0.23632%0.316CS..  trans-134.9161171.7-60.20000110.8A559 S560 E563 K565A559-V567 HydrophobicContact CB-CG2 3.69Å; S560-V567 PolarHBondContact OG-N 3.44Å; S560-V567 PolarHBondContact OG-O 2.94Å; E563-V567 HydrophobicContact CG-CG2 4.22Å; K565-V567 HydrophobicContact CG-CG1 4.24Å; K565-V567 PolarHBondContact O-N 3.16Å
568G93.9Very high93.4Very high28 Ų2861.9 Ų61.929%0.28933%0.333SS..  trans-93.4144.1175.200000111.8E582 F583G568-E582 CarbonylContact C-O 3.48Å; G568-E582 WeakPolarHBondContact CA-O 3.31Å; G568-F583 VanDerWaalsContact N-CE1 3.26Å
569Y97.1Very high93.2Very high84 Ų8462.2 Ų62.233%0.32934%0.335SS..  trans-144.3119.7166.1-168.4-80.5000113E552 H555 K571 E582E552-Y569 WeakPolarHBondContact O-CE1 3.44Å; H555-Y569 AromaticContact CD2-CD1 3.61Å; H555-Y569 AromaticContact CD2-CE1 3.72Å; H555-Y569 AromaticContact CE1-CD1 3.31Å; H555-Y569 WeakPolarHBondContact CE1-CD1 3.36Å; H555-Y569 AromaticContact CE1-CD2 3.56Å; H555-Y569 AromaticContact CE1-CE1 3.59Å; H555-Y569 AromaticContact CE1-CE2 3.8Å; H555-Y569 AromaticContact CE1-CG 3.3Å; H555-Y569 AromaticContact CE1-CZ 3.81Å; H555-Y569 AromaticContact CG-CD1 3.89Å; H555-Y569 PolarHBondContact N-O 3.42Å; H555-Y569 AromaticContact ND1-CD1 3.7Å; H555-Y569 AromaticContact ND1-CG 3.67Å; H555-Y569 AromaticContact NE2-CD1 3.28Å; H555-Y569 VanDerWaalsContact NE2-CD1 3.28Å; H555-Y569 WeakPolarHBondContact NE2-CD1 3.17Å; H555-Y569 AromaticContact NE2-CE1 3.15Å; H555-Y569 WeakPolarHBondContact NE2-CE1 3.37Å; H555-Y569 AromaticContact NE2-CE2 3.98Å; H555-Y569 AromaticContact NE2-CG 3.78Å; H555-Y569 AromaticContact NE2-CZ 3.51Å; Y569-K571 HydrophobicContact CE1-CB 4.07Å; Y569-E582 PolarHBondContact N-O 3.13Å
570K95.1Very high92.9Very high123 Ų12363.6 Ų63.654%0.53535%0.346SS..BIsolated β-bridgetrans-150.7122.6172.9177.9176.7-178.7-177.70110.2I554 E582I554-K570 HydrophobicContact CD1-CD 4.46Å; I554-K570 HydrophobicContact CD1-CG 4.12Å; I554-K570 HydrophobicContact CG1-CG 4.09Å; K570-E582 HydrophobicContact CB-CB 4.4Å; K570-E582 HydrophobicContact CB-CG 3.84Å; K570-E582 WeakPolarHBondContact CD-OE2 3.49Å
571K94.4Very high92.6Very high162 Ų16264.6 Ų64.670%0.70435%0.352SS*.SBendtrans-112.7-39.6178.4-177-178.1176.4-174.70112.6N553 Y569N553-K571 PolarHBondContact O-N 2.91Å; Y569-K571 HydrophobicContact CE1-CB 4.07Å
572A93.5Very high92.4Very high45 Ų4565.6 Ų65.637%0.37236%0.357SS..SBendtrans-154.1176.5-178.800000110.1N553 I554N553-A572 HydrophobicContact CB-CB 4.28Å; I554-A572 WeakPolarHBondContact CD1-O 3.45Å; I554-A572 WeakPolarHBondContact CG1-O 3.43Å
573A91.1Very high92.3Very high85 Ų8564.7 Ų64.770%0.70236%0.358SS*.  trans-68.8155.9169.500000111.1N553N553-A573 PolarHBondContact ND2-O 3.21Å
574T94Very high92.3Very high20 Ų2059 Ų5912%0.12333%0.332CS..  trans-127.8147.6175.1-179.40000110.9A551 I554 A576 A580 E604A551-T574 HydrophobicContact CB-CG2 4.28Å; A551-T574 WeakPolarHBondContact CB-OG1 3.2Å; I554-T574 HydrophobicContact CB-CG2 4.42Å; I554-T574 HydrophobicContact CD1-CG2 4.13Å; I554-T574 HydrophobicContact CG1-CG2 4.28Å; T574-A576 HydrophobicContact CG2-CB 4.42Å; T574-A576 PolarHBondContact O-N 3.38Å; T574-A576 PolarHBondContact OG1-N 3.47Å; T574-A576 VanDerWaalsContact OG1-N 3.14Å; T574-A580 HydrophobicContact CG2-CB 3.88Å; T574-E604 WeakPolarHBondContact CA-OE1 3.37Å; T574-E604 WeakPolarHBondContact CA-OE2 3.21Å; T574-E604 WeakPolarHBondContact CB-OE1 3.37Å; T574-E604 PolarHBondContact OG1-OE1 3.39Å; T574-E604 PolarHBondContact OG1-OE2 3.31Å
575I92.8Very high92.6Very high13 Ų1357 Ų577%0.06731%0.311CS..SBendtrans-65.7-22.6169.3-164.4170.6000112D577 E604 I607 E608 M611 R660 V664I575-D577 PolarHBondContact O-N 3.44Å; I575-E604 WeakPolarHBondContact CG2-OE2 3.46Å; I575-E604 PolarHBondContact N-OE2 3.13Å; I575-I607 HydrophobicContact CG2-CB 3.94Å; I575-I607 HydrophobicContact CG2-CD1 4.14Å; I575-I607 HydrophobicContact CG2-CG2 3.47Å; I575-I607 VanDerWaalsContact CG2-CG2 3.47Å; I575-E608 HydrophobicContact CD1-CG 4.18Å; I575-M611 HydrophobicContact CD1-CE 4.19Å; I575-M611 HydrophobicContact CD1-SD 3.61Å; I575-M611 HydrophobicContact CG1-SD 4.26Å; I575-R660 HydrophobicContact CD1-CG 3.98Å; I575-R660 HydrophobicContact CG1-CG 4.27Å; I575-V664 HydrophobicContact CD1-CG2 3.9Å
576A93.7Very high92.7Very high0 Ų056.1 Ų56.10%031%0.312CS..  trans-8355.417400000111.9A551 T574 G578 C579 A580 I607 A625 L628A551-A576 HydrophobicContact CB-CB 4.45Å; T574-A576 HydrophobicContact CG2-CB 4.42Å; T574-A576 PolarHBondContact O-N 3.38Å; T574-A576 PolarHBondContact OG1-N 3.47Å; T574-A576 VanDerWaalsContact OG1-N 3.14Å; A576-G578 PolarHBondContact O-N 2.85Å; A576-C579 CarbonylContact O-C 3.44Å; A576-C579 PolarHBondContact O-N 3.26Å; A576-A580 PolarHBondContact O-N 3Å; A576-I607 HydrophobicContact CB-CD1 4.28Å; A576-A625 HydrophobicContact CB-CB 4.35Å; A576-L628 HydrophobicContact CB-CD1 3.98Å; A576-L628 HydrophobicContact CB-CD2 4.12Å; A576-L628 HydrophobicContact CB-CG 4.11Å
577D89.3Confident92.8Very high80 Ų8054.4 Ų54.443%0.42831%0.307SS..G310 helixtrans-53.7-36-176.166.2-19.3000113.5K455 I575 C579 A580K455-D577 IonicContact NZ-OD2 3.56Å; K455-D577 PolarHBondContact NZ-OD2 3.07Å; I575-D577 PolarHBondContact O-N 3.44Å; D577-C579 PolarHBondContact O-N 3.41Å; D577-C579 VanDerWaalsContact O-N 3.16Å; D577-A580 WeakPolarHBondContact O-CB 3.02Å; D577-A580 PolarHBondContact O-N 3.36Å
578G88Confident92.8Very high35 Ų3552.5 Ų52.536%0.36130%0.295SS..G310 helixtrans-62.7-16.3174.800000115.5A576A576-G578 PolarHBondContact O-N 2.85Å
579C93Very high92.9Very high7 Ų751.9 Ų51.95%0.04729%0.285CS..G310 helixtrans-117.58178.7-70.40000112.9V525 A576 D577 V581 A625 L628V525-C579 WeakPolarHBondContact O-CB 3.32Å; A576-C579 CarbonylContact O-C 3.44Å; A576-C579 PolarHBondContact O-N 3.26Å; D577-C579 PolarHBondContact O-N 3.41Å; D577-C579 VanDerWaalsContact O-N 3.16Å; C579-V581 PolarHBondContact O-N 3.44Å; C579-A625 HydrophobicContact CB-CB 4.42Å; C579-L628 HydrophobicContact CB-CD1 3.81Å
580A91.7Very high92.4Very high43 Ų4351 Ų5136%0.35528%0.283SS..  trans-74.460.7-179.200000112.5I554 T574 A576 D577I554-A580 HydrophobicContact CD1-CB 3.88Å; T574-A580 HydrophobicContact CG2-CB 3.88Å; A576-A580 PolarHBondContact O-N 3Å; D577-A580 WeakPolarHBondContact O-CB 3.02Å; D577-A580 PolarHBondContact O-N 3.36Å
581V91.7Very high92.3Very high21 Ų2145.1 Ų45.113%0.12726%0.258CS..  trans-104.4109-177.9178.40000109.2Y495 G556 C579 F583Y495-V581 HydrophobicContact CE1-CG1 4.49Å; Y495-V581 HydrophobicContact CE1-CG2 4.13Å; G556-V581 PolarHBondContact N-O 2.98Å; G556-V581 VanDerWaalsContact N-O 3.14Å; C579-V581 PolarHBondContact O-N 3.44Å; V581-F583 WeakPolarHBondContact CG1-O 3.48Å
582E92.4Very high92.3Very high74 Ų7437.4 Ų37.435%0.34622%0.224SC..SBendtrans-70.3-44.5-177.6-177173.7162.700112.1G556 G568 Y569 K570G556-E582 WeakPolarHBondContact CA-O 3.31Å; G568-E582 CarbonylContact C-O 3.48Å; G568-E582 WeakPolarHBondContact CA-O 3.31Å; Y569-E582 PolarHBondContact N-O 3.13Å; K570-E582 HydrophobicContact CB-CB 4.4Å; K570-E582 HydrophobicContact CB-CG 3.84Å; K570-E582 WeakPolarHBondContact CD-OE2 3.49Å
583F93.9Very high92.1Very high122 Ų12239.3 Ų39.354%0.53523%0.226SC..SBendtrans-118.6130176.6-69.7-90.8000109.7G568 V581G568-F583 VanDerWaalsContact N-CE1 3.26Å; V581-F583 WeakPolarHBondContact CG1-O 3.48Å
584P94.2Very high91.9Very high5 Ų538.9 Ų38.93%0.03221%0.209CC..  trans-68.2158.8179.229.9-34.7000111.8M557 S560 K566 F589M557-P584 HydrophobicContact CB-CB 4.43Å; M557-P584 HydrophobicContact CE-CB 3.49Å; M557-P584 VanDerWaalsContact CE-CB 3.49Å; M557-P584 HydrophobicContact SD-CB 3.51Å; M557-P584 VanDerWaalsContact SD-CB 3.51Å; M557-P584 HydrophobicContact SD-CG 4.29Å; S560-P584 WeakPolarHBondContact OG-CD 3.29Å; S560-P584 VanDerWaalsContact OG-CG 3.29Å; S560-P584 WeakPolarHBondContact OG-CG 3.26Å; K566-P584 HydrophobicContact CB-CG 4.48Å; K566-P584 WeakPolarHBondContact CE-O 3.46Å; K566-P584 HydrophobicContact CG-CG 4.27Å; K566-P584 PolarHBondContact NZ-O 3.23Å; P584-F589 HydrophobicContact CB-CB 4.29Å; P584-F589 HydrophobicContact CG-CB 4.41Å; P584-F589 HydrophobicContact CG-CD2 4.33Å
585G92.5Very high91.7Very high4 Ų439.4 Ų39.44%0.04121%0.211CC..  trans-67161.8169.700000112.2D496 T588 F589D496-G585 VanDerWaalsContact OD1-C 3.3Å; D496-G585 VanDerWaalsContact OD1-CA 3.23Å; D496-G585 WeakPolarHBondContact OD1-CA 3.49Å; D496-G585 WeakPolarHBondContact OD2-CA 3.22Å; G585-T588 VanDerWaalsContact CA-OG1 3.3Å; G585-T588 WeakPolarHBondContact CA-OG1 3.36Å; G585-T588 PolarHBondContact N-OG1 3.34Å; G585-F589 WeakPolarHBondContact O-CB 3.32Å; G585-F589 PolarHBondContact O-N 3.29Å
586N89Confident91.9Very high105 Ų10539.2 Ų39.256%0.56121%0.21SC*.Hα-helixtrans-69.9-56.9177.6-69.7-26.2000110.7D496 K566 T588 F589 E590D496-N586 PolarHBondContact OD1-N 3.49Å; D496-N586 PolarHBondContact OD2-N 3.22Å; K566-N586 PolarHBondContact NZ-OD1 3.49Å; N586-T588 VanDerWaalsContact C-N 3.31Å; N586-T588 PolarHBondContact O-N 2.81Å; N586-F589 PolarHBondContact O-N 3.24Å; N586-E590 PolarHBondContact O-N 3.31Å
587L92.6Very high92Very high47 Ų4742.2 Ų42.225%0.24623%0.226CC..Hα-helixtrans-65.7-40.2-175.6-53.1-179.7000110.8P350 D496 E498 M501 E590 V591P350-L587 HydrophobicContact CB-CB 3.95Å; P350-L587 HydrophobicContact CB-CD2 4.08Å; P350-L587 HydrophobicContact CB-CG 4.44Å; P350-L587 HydrophobicContact CG-CB 4.07Å; P350-L587 HydrophobicContact CG-CD2 4.1Å; D496-L587 PolarHBondContact OD1-N 2.81Å; E498-L587 HydrophobicContact CG-CD1 3.96Å; M501-L587 HydrophobicContact CE-CB 4.29Å; M501-L587 HydrophobicContact SD-CB 3.82Å; L587-E590 PolarHBondContact O-N 3.11Å; L587-V591 PolarHBondContact O-N 3.44Å
588T95.8Very high92.4Very high0 Ų040 Ų400%022%0.215CC..Hα-helixtrans-70.2-35.3-179.949.50000113.2Y495 D496 M501 G528 A531 G585 N586 V592Y495-T588 HydrophobicContact CD2-CG2 4.39Å; Y495-T588 WeakPolarHBondContact O-CG2 3.12Å; D496-T588 WeakPolarHBondContact OD1-CG2 3.26Å; D496-T588 PolarHBondContact OD1-N 3.41Å; D496-T588 PolarHBondContact OD1-OG1 2.95Å; M501-T588 HydrophobicContact CE-CG2 4.27Å; M501-T588 HydrophobicContact CG-CG2 4.01Å; M501-T588 HydrophobicContact SD-CG2 3.77Å; G528-T588 VanDerWaalsContact N-CG2 3.35Å; A531-T588 HydrophobicContact CB-CG2 4.33Å; G585-T588 VanDerWaalsContact CA-OG1 3.3Å; G585-T588 WeakPolarHBondContact CA-OG1 3.36Å; G585-T588 PolarHBondContact N-OG1 3.34Å; N586-T588 VanDerWaalsContact C-N 3.31Å; N586-T588 PolarHBondContact O-N 2.81Å; T588-V592 WeakPolarHBondContact O-CB 3.37Å; T588-V592 WeakPolarHBondContact O-CG2 3.41Å; T588-V592 PolarHBondContact O-N 2.96Å; T588-V592 VanDerWaalsContact O-N 3.15Å
589F95.1Very high92.9Very high15 Ų1538.4 Ų38.47%0.06620%0.198CC..Hα-helixtrans-67.3-41.7175.3179.3-109.7000111.5M557 S560 K566 P584 G585 N586 V591 V592 E593M557-F589 HydrophobicContact SD-CB 4.22Å; M557-F589 HydrophobicContact SD-CD2 3.78Å; S560-F589 VanDerWaalsContact CB-CE2 3.41Å; K566-F589 HydrophobicContact CD-CB 4.42Å; K566-F589 HydrophobicContact CD-CD1 4.17Å; K566-F589 HydrophobicContact CD-CG 4.44Å; K566-F589 HydrophobicContact CG-CB 4.27Å; K566-F589 HydrophobicContact CG-CD1 3.46Å; K566-F589 VanDerWaalsContact CG-CD1 3.46Å; K566-F589 HydrophobicContact CG-CD2 4.46Å; K566-F589 HydrophobicContact CG-CE1 3.89Å; K566-F589 HydrophobicContact CG-CG 3.79Å; P584-F589 HydrophobicContact CB-CB 4.29Å; P584-F589 HydrophobicContact CG-CB 4.41Å; P584-F589 HydrophobicContact CG-CD2 4.33Å; G585-F589 WeakPolarHBondContact O-CB 3.32Å; G585-F589 PolarHBondContact O-N 3.29Å; N586-F589 PolarHBondContact O-N 3.24Å; F589-V591 PolarHBondContact O-N 3.07Å; F589-V592 PolarHBondContact O-N 3.15Å; F589-V592 VanDerWaalsContact O-N 3.12Å; F589-E593 HydrophobicContact CZ-CB 4.41Å; F589-E593 WeakPolarHBondContact O-CB 3.4Å; F589-E593 PolarHBondContact O-N 3.3Å
590E87.6Confident93.2Very high64 Ų6438.8 Ų38.830%0.29920%0.2SC..Hα-helixtrans-58.4-45.3178.7177.7159.6-139.800112.5K85 P350 N586 L587 E594K85-E590 IonicContact NZ-OE1 2.87Å; K85-E590 PolarHBondContact NZ-OE1 3.32Å; P350-E590 HydrophobicContact CG-CB 4.41Å; P350-E590 HydrophobicContact CG-CG 4.35Å; N586-E590 PolarHBondContact O-N 3.31Å; L587-E590 PolarHBondContact O-N 3.11Å; E590-E594 PolarHBondContact O-N 3.17Å
591V91.8Very high93.5Very high0 Ų037.6 Ų37.60%019%0.188CC..Hα-helixtrans-66.4-38.8175.5178.60000111.9L349 P350 M501 A531 A534 V535 L587 F589 E594 L595L349-V591 HydrophobicContact CD2-CG2 4.4Å; P350-V591 HydrophobicContact CG-CG2 4.27Å; M501-V591 HydrophobicContact CE-CB 4.43Å; M501-V591 HydrophobicContact CE-CG2 3.63Å; A531-V591 HydrophobicContact CB-CB 3.82Å; A531-V591 HydrophobicContact CB-CG1 3.78Å; A531-V591 HydrophobicContact CB-CG2 4.32Å; A531-V591 WeakPolarHBondContact O-CG1 3.44Å; A534-V591 HydrophobicContact CB-CG1 4.38Å; V535-V591 HydrophobicContact CG2-CG1 3.75Å; L587-V591 PolarHBondContact O-N 3.44Å; F589-V591 PolarHBondContact O-N 3.07Å; V591-E594 PolarHBondContact O-N 3.18Å; V591-L595 HydrophobicContact CG1-CD1 4.08Å; V591-L595 WeakPolarHBondContact O-CB 3.48Å; V591-L595 PolarHBondContact O-N 2.93Å
592V94.9Very high93.9Very high0 Ų036.6 Ų36.60%018%0.182CC..Hα-helixtrans-66.5-44.3-179.9166.30000111.2I530 M557 F561 T588 F589 E594 V596 M599I530-V592 HydrophobicContact CG2-CG2 3.75Å; M557-V592 HydrophobicContact CE-CG2 4.17Å; M557-V592 HydrophobicContact CG-CG1 3.99Å; M557-V592 HydrophobicContact CG-CG2 4.35Å; M557-V592 HydrophobicContact SD-CB 4.07Å; M557-V592 HydrophobicContact SD-CG1 4.03Å; M557-V592 HydrophobicContact SD-CG2 4.08Å; F561-V592 HydrophobicContact CD2-CG1 4Å; T588-V592 WeakPolarHBondContact O-CB 3.37Å; T588-V592 WeakPolarHBondContact O-CG2 3.41Å; T588-V592 PolarHBondContact O-N 2.96Å; T588-V592 VanDerWaalsContact O-N 3.15Å; F589-V592 PolarHBondContact O-N 3.15Å; F589-V592 VanDerWaalsContact O-N 3.12Å; V592-E594 VanDerWaalsContact C-N 3.28Å; V592-E594 PolarHBondContact O-N 3.17Å; V592-V596 HydrophobicContact CB-CG2 4.19Å; V592-V596 HydrophobicContact CG1-CB 4.07Å; V592-V596 HydrophobicContact CG1-CG2 4.06Å; V592-V596 HydrophobicContact CG2-CG2 4.07Å; V592-V596 VanDerWaalsContact O-CB 3.29Å; V592-V596 WeakPolarHBondContact O-CB 3.37Å; V592-V596 PolarHBondContact O-N 3.13Å; V592-V596 VanDerWaalsContact O-N 3.08Å; V592-M599 HydrophobicContact CG1-SD 4.47Å
593E90.1Very high94.1Very high86 Ų8634.3 Ų34.340%0.40217%0.174SC..Hα-helixtrans-59.3-40.1178-176.9170.4-13100111.7F589F589-E593 HydrophobicContact CZ-CB 4.41Å; F589-E593 WeakPolarHBondContact O-CB 3.4Å; F589-E593 PolarHBondContact O-N 3.3Å
594E85Confident94.3Very high76 Ų7630.4 Ų30.436%0.35516%0.158SC..Hα-helixtrans-81.2-38.9-177.8-16668.8-16800113.4N346 L349 E590 V591 V592N346-E594 PolarHBondContact ND2-OE1 3.05Å; L349-E594 HydrophobicContact CD2-CB 4.11Å; L349-E594 HydrophobicContact CD2-CG 4.21Å; E590-E594 PolarHBondContact O-N 3.17Å; V591-E594 PolarHBondContact O-N 3.18Å; V592-E594 VanDerWaalsContact C-N 3.28Å; V592-E594 PolarHBondContact O-N 3.17Å
595L91.3Very high94.3Very high30 Ų3037.5 Ų37.516%0.15719%0.19CC..Hα-helixtrans-115.9-13.1-163.8-62.6-170.2000116.2L349 A534 V535 K538 V591L349-L595 HydrophobicContact CD1-CD1 3.63Å; L349-L595 HydrophobicContact CD1-CD2 4.35Å; L349-L595 HydrophobicContact CD1-CG 4.07Å; A534-L595 HydrophobicContact CB-CB 3.85Å; A534-L595 HydrophobicContact CB-CD1 4.22Å; V535-L595 HydrophobicContact CB-CD1 4.39Å; V535-L595 HydrophobicContact CG2-CD1 3.83Å; K538-L595 HydrophobicContact CB-CD1 4.34Å; K538-L595 HydrophobicContact CB-CD2 4.19Å; K538-L595 WeakPolarHBondContact CE-O 3.48Å; K538-L595 HydrophobicContact CG-CB 4.17Å; K538-L595 HydrophobicContact CG-CD2 4.31Å; V591-L595 HydrophobicContact CG1-CD1 4.08Å; V591-L595 WeakPolarHBondContact O-CB 3.48Å; V591-L595 PolarHBondContact O-N 2.93Å
596V96.8Very high94.6Very high9 Ų939.5 Ų39.56%0.05520%0.199CC..  trans-93.9130.3-176.3173.50000110.5I530 A534 I546 F561 V592 D598 M599I530-V596 HydrophobicContact CD1-CG1 4.02Å; I530-V596 HydrophobicContact CD1-CG2 3.73Å; I530-V596 HydrophobicContact CG1-CG2 3.84Å; A534-V596 HydrophobicContact CB-CG2 4.39Å; I546-V596 HydrophobicContact CG2-CG2 4.1Å; I546-V596 WeakPolarHBondContact O-CG1 3.33Å; F561-V596 HydrophobicContact CE2-CB 4.45Å; F561-V596 WeakPolarHBondContact CE2-O 2.92Å; V592-V596 HydrophobicContact CB-CG2 4.19Å; V592-V596 HydrophobicContact CG1-CB 4.07Å; V592-V596 HydrophobicContact CG1-CG2 4.06Å; V592-V596 HydrophobicContact CG2-CG2 4.07Å; V592-V596 VanDerWaalsContact O-CB 3.29Å; V592-V596 WeakPolarHBondContact O-CB 3.37Å; V592-V596 PolarHBondContact O-N 3.13Å; V592-V596 VanDerWaalsContact O-N 3.08Å; V596-D598 WeakPolarHBondContact CG1-O 3.33Å; V596-M599 HydrophobicContact CG1-CG 4.19Å; V596-M599 HydrophobicContact CG1-SD 3.88Å
597D95.5Very high95Very high63 Ų6334.5 Ų34.534%0.33717%0.172SC..  trans-84.7-29.7-172-54.7-89.5000113.5K538 N545 I546 I547K538-D597 VanDerWaalsContact CE-OD2 3.29Å; K538-D597 WeakPolarHBondContact CE-OD2 3.47Å; K538-D597 IonicContact NZ-OD1 2.65Å; K538-D597 PolarHBondContact NZ-OD1 3.02Å; K538-D597 IonicContact NZ-OD2 2.65Å; K538-D597 PolarHBondContact NZ-OD2 3.45Å; N545-D597 VanDerWaalsContact CA-OD2 3.29Å; N545-D597 WeakPolarHBondContact CA-OD2 3.47Å; I546-D597 PolarHBondContact N-OD2 3.06Å; I546-D597 PolarHBondContact O-N 3.29Å; I547-D597 HydrophobicContact CD1-CB 4.3Å
598D98.2Very high95.1Very high35 Ų3533.6 Ų33.619%0.18717%0.166CC..EExtended strand (participates in β ladder)trans-157.6156.5177.4-152.2-17.7000112.2I547 G548 V596 K640 Y641I547-D598 WeakPolarHBondContact CA-O 3.42Å; I547-D598 HydrophobicContact CD1-CB 3.7Å; I547-D598 HydrophobicContact CG2-CB 4.35Å; G548-D598 PolarHBondContact N-O 3.02Å; V596-D598 WeakPolarHBondContact CG1-O 3.33Å; D598-K640 WeakPolarHBondContact OD2-CE 3.41Å; D598-K640 IonicContact OD2-NZ 3.64Å; D598-K640 PolarHBondContact OD2-NZ 3.48Å; D598-Y641 HydrophobicContact CB-CE2 3.88Å; D598-Y641 WeakPolarHBondContact OD2-CE2 3.45Å; D598-Y641 PolarHBondContact OD2-OH 2.87Å
599M98.6Very high95.1Very high1 Ų136.2 Ų36.21%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-134.4116.7179-68.7-70.8-58.900110.8V525 I530 G548 Q550 M557 T558 F561 R562 V592 V596V525-M599 HydrophobicContact CB-CE 4.19Å; V525-M599 HydrophobicContact CG1-CE 4.15Å; V525-M599 HydrophobicContact CG2-CE 3.91Å; V525-M599 HydrophobicContact CG2-SD 4.27Å; I530-M599 HydrophobicContact CD1-SD 4.36Å; G548-M599 VanDerWaalsContact CA-SD 3.52Å; G548-M599 WeakPolarHBondContact O-CA 3.32Å; Q550-M599 HydrophobicContact CG-CE 4.43Å; M557-M599 HydrophobicContact CB-CE 4.12Å; M557-M599 HydrophobicContact CG-CE 3.98Å; T558-M599 HydrophobicContact CG2-CB 3.77Å; T558-M599 WeakPolarHBondContact OG1-CE 3.48Å; F561-M599 HydrophobicContact CB-CB 4.42Å; F561-M599 HydrophobicContact CB-CG 3.86Å; F561-M599 HydrophobicContact CD1-CB 3.79Å; F561-M599 HydrophobicContact CD1-CG 3.61Å; F561-M599 HydrophobicContact CD2-CG 3.93Å; F561-M599 HydrophobicContact CE1-CB 4.28Å; F561-M599 HydrophobicContact CE1-CG 4.08Å; F561-M599 HydrophobicContact CE2-CG 4.36Å; F561-M599 HydrophobicContact CG-CB 4.15Å; F561-M599 HydrophobicContact CG-CG 3.52Å; F561-M599 HydrophobicContact CZ-CG 4.43Å; R562-M599 PolarHBondContact NH2-O 3.34Å; V592-M599 HydrophobicContact CG1-SD 4.47Å; V596-M599 HydrophobicContact CG1-CG 4.19Å; V596-M599 HydrophobicContact CG1-SD 3.88Å
600V98.6Very high95.1Very high14 Ų1435.5 Ų35.59%0.08518%0.177CC..EExtended strand (participates in β ladder)trans-114.1158.3-179.1-58.70000112.1G548 V549 Q550 A632 V638G548-V600 PolarHBondContact O-N 3.31Å; V549-V600 WeakPolarHBondContact CA-O 3.33Å; V549-V600 HydrophobicContact CB-CG2 4.35Å; V549-V600 HydrophobicContact CG1-CG2 4.21Å; V549-V600 HydrophobicContact CG2-CG2 3.79Å; Q550-V600 PolarHBondContact N-O 3.18Å; Q550-V600 VanDerWaalsContact N-O 3.11Å; V600-A632 HydrophobicContact CG2-CB 3.97Å; V600-V638 HydrophobicContact CG1-CG1 4.1Å; V600-V638 HydrophobicContact CG2-CG1 3.84Å
601T98.7Very high95.5Very high19 Ų1932.5 Ų32.512%0.11716%0.163CC..EExtended strand (participates in β ladder)trans-120.2144.5176.9530000110.6Q550 H555 T558 K637Q550-T601 CarbonylContact O-C 3.55Å; Q550-T601 WeakPolarHBondContact O-CA 3.42Å; H555-T601 HydrophobicContact CB-CG2 3.97Å; T558-T601 HydrophobicContact CG2-CG2 3.84Å; T601-K637 WeakPolarHBondContact O-CD 3.45Å; T601-K637 WeakPolarHBondContact O-CE 3.43Å; T601-K637 PolarHBondContact O-NZ 3.42Å
602V98.7Very high95.6Very high0 Ų034.5 Ų34.50%017%0.172CC..EExtended strand (participates in β ladder)trans-123143.4176.3-68.30000111.7V549 Q550 A551 E552 E606 I607 L628 A631 A632 K637V549-V602 HydrophobicContact CG1-CG1 4.09Å; V549-V602 HydrophobicContact CG1-CG2 3.94Å; Q550-V602 PolarHBondContact O-N 3.32Å; A551-V602 CarbonylContact C-O 3.46Å; A551-V602 WeakPolarHBondContact CA-O 3.43Å; E552-V602 PolarHBondContact N-O 2.85Å; V602-E606 WeakPolarHBondContact CA-OE2 3.15Å; V602-E606 HydrophobicContact CB-CB 4.24Å; V602-E606 WeakPolarHBondContact CB-OE2 3.28Å; V602-I607 HydrophobicContact CB-CG1 4.48Å; V602-I607 HydrophobicContact CG2-CD1 4.08Å; V602-I607 HydrophobicContact CG2-CG1 3.67Å; V602-L628 HydrophobicContact CG2-CD2 3.38Å; V602-A631 HydrophobicContact CB-CB 4.16Å; V602-A631 HydrophobicContact CG1-CB 4.06Å; V602-A631 HydrophobicContact CG2-CB 4.05Å; V602-A632 HydrophobicContact CG1-CB 4.02Å; V602-K637 HydrophobicContact CG1-CD 4.19Å
603S98.4Very high95.5Very high26 Ų2635.2 Ų35.218%0.18218%0.176CC..  trans-75160.317973.20000111.4E552 Q605 E606 I607E552-S603 WeakPolarHBondContact OE2-CB 3.49Å; S603-Q605 PolarHBondContact O-N 3.46Å; S603-E606 PolarHBondContact N-OE2 3.33Å; S603-E606 WeakPolarHBondContact O-CB 3.36Å; S603-E606 PolarHBondContact O-N 2.98Å; S603-E606 VanDerWaalsContact OG-CG 3.31Å; S603-E606 WeakPolarHBondContact OG-CG 3.19Å; S603-E606 PolarHBondContact OG-N 2.88Å; S603-E606 PolarHBondContact OG-OE2 2.89Å; S603-I607 WeakPolarHBondContact O-CG1 3.31Å; S603-I607 PolarHBondContact O-N 3.47Å
604E96.2Very high95.8Very high39 Ų3931.3 Ų31.318%0.18216%0.157CC..Hα-helixtrans-57.1-39.3177.5-60.6-62.212400112.2N553 T574 I575 E606 I607 E608N553-E604 VanDerWaalsContact ND2-CG 3.26Å; N553-E604 WeakPolarHBondContact ND2-CG 3.21Å; N553-E604 PolarHBondContact ND2-OE1 3.33Å; T574-E604 WeakPolarHBondContact CA-OE1 3.37Å; T574-E604 WeakPolarHBondContact CA-OE2 3.21Å; T574-E604 WeakPolarHBondContact CB-OE1 3.37Å; T574-E604 PolarHBondContact OG1-OE1 3.39Å; T574-E604 PolarHBondContact OG1-OE2 3.31Å; I575-E604 WeakPolarHBondContact CG2-OE2 3.46Å; I575-E604 PolarHBondContact N-OE2 3.13Å; E604-E606 VanDerWaalsContact C-N 3.34Å; E604-E606 PolarHBondContact O-N 3.22Å; E604-I607 PolarHBondContact O-N 3.36Å; E604-E608 WeakPolarHBondContact O-CG 3.21Å; E604-E608 PolarHBondContact O-N 3.44Å
605Q95.7Very high96.1Very high154 Ų15429.7 Ų29.772%0.7215%0.151SC*.Hα-helixtrans-64.1-38.3176.9-67.9-179.4-1.400112.2S603 I607 L609S603-Q605 PolarHBondContact O-N 3.46Å; Q605-I607 VanDerWaalsContact C-N 3.33Å; Q605-L609 VanDerWaalsContact O-CB 3.31Å; Q605-L609 WeakPolarHBondContact O-CB 3.17Å; Q605-L609 PolarHBondContact O-N 3.17Å
606E97.9Very high96.1Very high46 Ų4633.3 Ų33.322%0.21517%0.167CC..Hα-helixtrans-66.4-37.4175.4-70.4167.516300111.2V602 S603 E604 A610 A631 A635 K637V602-E606 WeakPolarHBondContact CA-OE2 3.15Å; V602-E606 HydrophobicContact CB-CB 4.24Å; V602-E606 WeakPolarHBondContact CB-OE2 3.28Å; S603-E606 PolarHBondContact N-OE2 3.33Å; S603-E606 WeakPolarHBondContact O-CB 3.36Å; S603-E606 PolarHBondContact O-N 2.98Å; S603-E606 VanDerWaalsContact OG-CG 3.31Å; S603-E606 WeakPolarHBondContact OG-CG 3.19Å; S603-E606 PolarHBondContact OG-N 2.88Å; S603-E606 PolarHBondContact OG-OE2 2.89Å; E604-E606 VanDerWaalsContact C-N 3.34Å; E604-E606 PolarHBondContact O-N 3.22Å; E606-A610 WeakPolarHBondContact O-CB 3.33Å; E606-A610 PolarHBondContact O-N 3.05Å; E606-A631 HydrophobicContact CB-CB 4.4Å; E606-A631 WeakPolarHBondContact O-CB 3.34Å; E606-A635 HydrophobicContact CG-CB 4.06Å; E606-A635 WeakPolarHBondContact OE1-CB 3.36Å; E606-K637 WeakPolarHBondContact OE1-CE 3.44Å; E606-K637 IonicContact OE1-NZ 3.89Å; E606-K637 PolarHBondContact OE1-NZ 3.2Å; E606-K637 IonicContact OE2-NZ 3.39Å; E606-K637 PolarHBondContact OE2-NZ 2.94Å
607I97.7Very high95.8Very high0 Ų040.1 Ų40.10%019%0.192CC..Hα-helixtrans-66.1-49175.7-58.8166.6000110.5A551 I575 A576 V602 S603 E604 Q605 L609 A610 M611 G624 A627 L628 A631A551-I607 HydrophobicContact CB-CD1 3.82Å; I575-I607 HydrophobicContact CG2-CB 3.94Å; I575-I607 HydrophobicContact CG2-CD1 4.14Å; I575-I607 HydrophobicContact CG2-CG2 3.47Å; I575-I607 VanDerWaalsContact CG2-CG2 3.47Å; A576-I607 HydrophobicContact CB-CD1 4.28Å; V602-I607 HydrophobicContact CB-CG1 4.48Å; V602-I607 HydrophobicContact CG2-CD1 4.08Å; V602-I607 HydrophobicContact CG2-CG1 3.67Å; S603-I607 WeakPolarHBondContact O-CG1 3.31Å; S603-I607 PolarHBondContact O-N 3.47Å; E604-I607 PolarHBondContact O-N 3.36Å; Q605-I607 VanDerWaalsContact C-N 3.33Å; I607-L609 VanDerWaalsContact C-N 3.31Å; I607-L609 PolarHBondContact O-N 3.19Å; I607-A610 PolarHBondContact O-N 3.3Å; I607-A610 VanDerWaalsContact O-N 3.17Å; I607-M611 HydrophobicContact CG2-CG 4.44Å; I607-M611 HydrophobicContact CG2-SD 4.26Å; I607-M611 WeakPolarHBondContact O-CG 3.33Å; I607-M611 PolarHBondContact O-N 2.94Å; I607-G624 WeakPolarHBondContact CG2-O 3.48Å; I607-A627 HydrophobicContact CG2-CB 4.26Å; I607-L628 HydrophobicContact CD1-CD2 3.73Å; I607-L628 HydrophobicContact CG1-CD2 3.93Å; I607-A631 HydrophobicContact CG1-CB 4.49Å
608E95.6Very high95.5Very high28 Ų2838.6 Ų38.613%0.13118%0.184CC..Hα-helixtrans-59.7-42.1177.9-69.2-172.7168.200111.7I575 E604 A610 M611 K612 V664 H667 F668I575-E608 HydrophobicContact CD1-CG 4.18Å; E604-E608 WeakPolarHBondContact O-CG 3.21Å; E604-E608 PolarHBondContact O-N 3.44Å; E608-A610 VanDerWaalsContact C-N 3.34Å; E608-A610 PolarHBondContact O-N 2.99Å; E608-M611 PolarHBondContact O-N 3.11Å; E608-K612 PolarHBondContact O-N 2.86Å; E608-V664 HydrophobicContact CB-CG1 4.24Å; E608-V664 HydrophobicContact CB-CG2 4.46Å; E608-V664 HydrophobicContact CG-CG2 4.07Å; E608-V664 WeakPolarHBondContact O-CG1 3.33Å; E608-H667 IonicContact OE1-CE1 3.79Å; E608-H667 IonicContact OE1-ND1 2.88Å; E608-H667 PolarHBondContact OE1-ND1 3.21Å; E608-H667 IonicContact OE2-CE1 3.25Å; E608-H667 IonicContact OE2-CG 2.87Å; E608-H667 IonicContact OE2-ND1 3.61Å; E608-H667 PolarHBondContact OE2-ND1 3.27Å; E608-F668 HydrophobicContact CB-CE2 3.93Å; E608-F668 HydrophobicContact CB-CZ 4.23Å
609L94.1Very high95.3Very high55 Ų5544.8 Ų44.829%0.28821%0.21SC..Hα-helixtrans-61.3-43.7176-179.462.2000111.5Q605 I607 K612 D613 F668Q605-L609 VanDerWaalsContact O-CB 3.31Å; Q605-L609 WeakPolarHBondContact O-CB 3.17Å; Q605-L609 PolarHBondContact O-N 3.17Å; I607-L609 VanDerWaalsContact C-N 3.31Å; I607-L609 PolarHBondContact O-N 3.19Å; L609-K612 PolarHBondContact O-N 3.01Å; L609-D613 WeakPolarHBondContact O-CB 3.48Å; L609-D613 PolarHBondContact O-N 3.14Å; L609-F668 HydrophobicContact CB-CZ 3.93Å; L609-F668 HydrophobicContact CD1-CE1 4.05Å; L609-F668 HydrophobicContact CD1-CZ 4.15Å
610A96.7Very high95.1Very high0 Ų045.3 Ų45.30%021%0.213CC..Hα-helixtrans-65.3-41.717700000112.4E606 I607 E608 D613 L614 A627 T630 A631 L634E606-A610 WeakPolarHBondContact O-CB 3.33Å; E606-A610 PolarHBondContact O-N 3.05Å; I607-A610 PolarHBondContact O-N 3.3Å; I607-A610 VanDerWaalsContact O-N 3.17Å; E608-A610 VanDerWaalsContact C-N 3.34Å; E608-A610 PolarHBondContact O-N 2.99Å; A610-D613 PolarHBondContact O-N 3.39Å; A610-L614 WeakPolarHBondContact O-CB 3.45Å; A610-L614 VanDerWaalsContact O-CG 3.3Å; A610-L614 WeakPolarHBondContact O-CG 3.27Å; A610-L614 PolarHBondContact O-N 3.13Å; A610-A627 HydrophobicContact CB-CB 4.11Å; A610-T630 HydrophobicContact CB-CG2 4.1Å; A610-A631 HydrophobicContact CB-CB 3.72Å; A610-L634 HydrophobicContact CB-CD1 4.11Å
611M96Very high94.9Very high1 Ų148 Ų481%0.00523%0.229CC..Hα-helixtrans-57.9-49.7174.2-70.2175.866.300110.9I575 I607 E608 D613 L614 I615 V622 A627 V656 V664I575-M611 HydrophobicContact CD1-CE 4.19Å; I575-M611 HydrophobicContact CD1-SD 3.61Å; I575-M611 HydrophobicContact CG1-SD 4.26Å; I607-M611 HydrophobicContact CG2-CG 4.44Å; I607-M611 HydrophobicContact CG2-SD 4.26Å; I607-M611 WeakPolarHBondContact O-CG 3.33Å; I607-M611 PolarHBondContact O-N 2.94Å; E608-M611 PolarHBondContact O-N 3.11Å; M611-D613 PolarHBondContact O-N 3.23Å; M611-L614 PolarHBondContact O-N 3.37Å; M611-I615 WeakPolarHBondContact O-CG1 3.43Å; M611-I615 PolarHBondContact O-N 3.2Å; M611-V622 HydrophobicContact CB-CG2 4.29Å; M611-V622 HydrophobicContact CG-CG2 4.07Å; M611-A627 HydrophobicContact CB-CB 4.48Å; M611-A627 HydrophobicContact CG-CB 3.51Å; M611-V656 HydrophobicContact CE-CG2 4.06Å; M611-V664 HydrophobicContact CB-CG1 4.3Å; M611-V664 HydrophobicContact CE-CG2 4.21Å; M611-V664 HydrophobicContact SD-CG2 4.36Å
612K93.9Very high94.7Very high43 Ų4347.1 Ų47.119%0.18722%0.223CC..Hα-helixtrans-58.9-48177.1-176-154.672.9-166.90111.5E608 L609 L614 I615 Q616 V664 F668E608-K612 PolarHBondContact O-N 2.86Å; L609-K612 PolarHBondContact O-N 3.01Å; K612-L614 PolarHBondContact O-N 3.43Å; K612-I615 PolarHBondContact O-N 2.98Å; K612-Q616 VanDerWaalsContact O-CB 3.29Å; K612-Q616 WeakPolarHBondContact O-CB 3.4Å; K612-Q616 PolarHBondContact O-N 3.43Å; K612-V664 HydrophobicContact CB-CG1 4.38Å; K612-F668 HydrophobicContact CB-CD2 4.13Å; K612-F668 HydrophobicContact CB-CE2 4.29Å; K612-F668 HydrophobicContact CD-CB 3.75Å; K612-F668 HydrophobicContact CD-CD1 4.4Å; K612-F668 HydrophobicContact CD-CD2 3.63Å; K612-F668 HydrophobicContact CD-CE2 4.34Å; K612-F668 HydrophobicContact CD-CG 3.67Å; K612-F668 HydrophobicContact CG-CD2 4.23Å
613D92.6Very high94.5Very high15 Ų1547.3 Ų47.38%0.0822%0.224CC..Hα-helixtrans-67.1-37.3-177.2-79.8-0.4000111.8F377 L609 A610 M611 Q616 R617 L634F377-D613 HydrophobicContact CE1-CB 3.95Å; F377-D613 HydrophobicContact CZ-CB 4.39Å; F377-D613 WeakPolarHBondContact CZ-OD2 3.39Å; L609-D613 WeakPolarHBondContact O-CB 3.48Å; L609-D613 PolarHBondContact O-N 3.14Å; A610-D613 PolarHBondContact O-N 3.39Å; M611-D613 PolarHBondContact O-N 3.23Å; D613-Q616 PolarHBondContact O-N 3.18Å; D613-R617 WeakPolarHBondContact O-CA 3.39Å; D613-R617 WeakPolarHBondContact O-CB 3.33Å; D613-R617 WeakPolarHBondContact O-CG 3.3Å; D613-R617 PolarHBondContact O-N 3.27Å; D613-L634 HydrophobicContact CB-CD1 4.24Å
614L95Very high94.3Very high3 Ų346.1 Ų46.12%0.01622%0.216CC..Iπ-helixtrans-62.5-45.3173.6-74.9166000111.3L388 A610 M611 K612 T618 K619 I620 V622 A627 T630L388-L614 HydrophobicContact CD1-CD2 3.92Å; A610-L614 WeakPolarHBondContact O-CB 3.45Å; A610-L614 VanDerWaalsContact O-CG 3.3Å; A610-L614 WeakPolarHBondContact O-CG 3.27Å; A610-L614 PolarHBondContact O-N 3.13Å; M611-L614 PolarHBondContact O-N 3.37Å; K612-L614 PolarHBondContact O-N 3.43Å; L614-T618 VanDerWaalsContact C-OG1 3.31Å; L614-T618 WeakPolarHBondContact CA-OG1 3.35Å; L614-T618 HydrophobicContact CD2-CG2 4.32Å; L614-T618 CarbonylContact O-C 3.51Å; L614-T618 WeakPolarHBondContact O-CA 3.39Å; L614-T618 WeakPolarHBondContact O-CB 3.44Å; L614-T618 PolarHBondContact O-N 3.02Å; L614-T618 PolarHBondContact O-OG1 2.6Å; L614-K619 PolarHBondContact O-N 3.02Å; L614-I620 CarbonylContact C-O 3.53Å; L614-I620 PolarHBondContact O-N 3.01Å; L614-V622 HydrophobicContact CB-CG2 4.19Å; L614-V622 HydrophobicContact CD1-CB 4.45Å; L614-V622 HydrophobicContact CD1-CG1 4.02Å; L614-V622 HydrophobicContact CD1-CG2 3.75Å; L614-A627 HydrophobicContact CD1-CB 4.27Å; L614-T630 HydrophobicContact CD1-CG2 4.16Å; L614-T630 HydrophobicContact CD2-CG2 4.21Å; L614-T630 HydrophobicContact CG-CG2 4.07Å
615I92.9Very high94.3Very high42 Ų4244.3 Ų44.322%0.21521%0.208CC..Iπ-helixtrans-63.1-50.8176.1-66.5166.7000110.5M611 K612 K619 I620 I661M611-I615 WeakPolarHBondContact O-CG1 3.43Å; M611-I615 PolarHBondContact O-N 3.2Å; K612-I615 PolarHBondContact O-N 2.98Å; I615-K619 WeakPolarHBondContact O-CA 3.42Å; I615-K619 PolarHBondContact O-N 3.25Å; I615-I620 WeakPolarHBondContact CA-O 3.36Å; I615-I620 WeakPolarHBondContact CG1-O 3.47Å; I615-I620 PolarHBondContact N-O 3.07Å; I615-I661 HydrophobicContact CD1-CG2 4.36Å
616Q90.1Very high94.4Very high107 Ų10737 Ų3750%0.517%0.174SC..Iπ-helixtrans-74.2-41.8-171.4-168.4177.717.500112.9K612 D613 K619K612-Q616 VanDerWaalsContact O-CB 3.29Å; K612-Q616 WeakPolarHBondContact O-CB 3.4Å; K612-Q616 PolarHBondContact O-N 3.43Å; D613-Q616 PolarHBondContact O-N 3.18Å; Q616-K619 PolarHBondContact O-NZ 3.32Å
617R91Very high94.4Very high152 Ų15234.8 Ų34.857%0.57416%0.164SC*.Iπ-helixtrans-96-37.7-172.2-57.7-63.7-173.7167.80.6113.1F377 D613F377-R617 HydrophobicContact CB-CB 4.19Å; F377-R617 HydrophobicContact CD1-CB 4.01Å; F377-R617 HydrophobicContact CD1-CG 4.05Å; F377-R617 HydrophobicContact CD2-CB 4.47Å; F377-R617 HydrophobicContact CD2-CG 4.04Å; F377-R617 HydrophobicContact CE1-CG 4.16Å; F377-R617 HydrophobicContact CE2-CG 4.15Å; F377-R617 HydrophobicContact CG-CB 3.96Å; F377-R617 HydrophobicContact CG-CG 3.99Å; F377-R617 HydrophobicContact CZ-CG 4.2Å; D613-R617 WeakPolarHBondContact O-CA 3.39Å; D613-R617 WeakPolarHBondContact O-CB 3.33Å; D613-R617 WeakPolarHBondContact O-CG 3.3Å; D613-R617 PolarHBondContact O-N 3.27Å
618T89.3Confident94.5Very high30 Ų3034.8 Ų34.818%0.18416%0.164CC..Iπ-helixtrans-105.4-10-175.567.70000113.7L388 L614 I620L388-T618 HydrophobicContact CD1-CG2 4.13Å; L614-T618 VanDerWaalsContact C-OG1 3.31Å; L614-T618 WeakPolarHBondContact CA-OG1 3.35Å; L614-T618 HydrophobicContact CD2-CG2 4.32Å; L614-T618 CarbonylContact O-C 3.51Å; L614-T618 WeakPolarHBondContact O-CA 3.39Å; L614-T618 WeakPolarHBondContact O-CB 3.44Å; L614-T618 PolarHBondContact O-N 3.02Å; L614-T618 PolarHBondContact O-OG1 2.6Å; T618-I620 PolarHBondContact O-N 3.3Å; T618-I620 VanDerWaalsContact OG1-CD1 3.31Å; T618-I620 WeakPolarHBondContact OG1-CD1 3.35Å; T618-I620 VanDerWaalsContact OG1-CG1 3.31Å; T618-I620 WeakPolarHBondContact OG1-CG1 3.21Å
619K93.3Very high94.6Very high166 Ų16633.5 Ų33.572%0.72216%0.157SC*.  trans62.230.5-176.2-44.8-53-179.5-169.90112.6L614 I615 Q616L614-K619 PolarHBondContact O-N 3.02Å; I615-K619 WeakPolarHBondContact O-CA 3.42Å; I615-K619 PolarHBondContact O-N 3.25Å; Q616-K619 PolarHBondContact O-NZ 3.32Å
620I94.1Very high94.8Very high12 Ų1231 Ų316%0.06214%0.144CC..  trans-108.5122.4-178.9-56.2174.5000108I373 L388 L390 N392 L614 I615 T618 V622 V651I373-I620 HydrophobicContact CD1-CD1 4.21Å; L388-I620 HydrophobicContact CD1-CD1 3.71Å; L390-I620 HydrophobicContact CD1-CD1 4.06Å; L390-I620 HydrophobicContact CD2-CD1 3.62Å; N392-I620 VanDerWaalsContact ND2-CG2 3.26Å; N392-I620 WeakPolarHBondContact ND2-CG2 3.29Å; L614-I620 CarbonylContact C-O 3.53Å; L614-I620 PolarHBondContact O-N 3.01Å; I615-I620 WeakPolarHBondContact CA-O 3.36Å; I615-I620 WeakPolarHBondContact CG1-O 3.47Å; I615-I620 PolarHBondContact N-O 3.07Å; T618-I620 PolarHBondContact O-N 3.3Å; T618-I620 VanDerWaalsContact OG1-CD1 3.31Å; T618-I620 WeakPolarHBondContact OG1-CD1 3.35Å; T618-I620 VanDerWaalsContact OG1-CG1 3.31Å; T618-I620 WeakPolarHBondContact OG1-CG1 3.21Å; I620-V622 HydrophobicContact CG2-CG1 3.63Å; I620-V651 HydrophobicContact CG2-CG1 4.39Å
621V94.4Very high94.9Very high70 Ų7031 Ų3142%0.42414%0.144SC..  trans-85.7128.3170.7-178.60000108.6N392 V656 I661N392-V621 PolarHBondContact ND2-O 3.39Å; N392-V621 VanDerWaalsContact ND2-O 3.07Å; V621-V656 HydrophobicContact CG1-CG1 3.84Å; V621-I661 HydrophobicContact CG1-CD1 4Å
622V95.1Very high95Very high0 Ų030.9 Ų30.90%014%0.144CC..  trans-135.7151.5-174.8-61.60000111.1M611 L614 I620 A627 V651 V656M611-V622 HydrophobicContact CB-CG2 4.29Å; M611-V622 HydrophobicContact CG-CG2 4.07Å; L614-V622 HydrophobicContact CB-CG2 4.19Å; L614-V622 HydrophobicContact CD1-CB 4.45Å; L614-V622 HydrophobicContact CD1-CG1 4.02Å; L614-V622 HydrophobicContact CD1-CG2 3.75Å; I620-V622 HydrophobicContact CG2-CG1 3.63Å; V622-A627 HydrophobicContact CG2-CB 4.06Å; V622-V651 HydrophobicContact CB-CG1 4.44Å; V622-V651 HydrophobicContact CG1-CG1 3.38Å; V622-V656 WeakPolarHBondContact O-CG1 3.32Å
623E94Very high95.3Very high4 Ų429 Ų292%0.01914%0.136CC..  trans-85.1171.2164.174.2-165.5-159.700111.1N427 A625 G626 A627 G653 N655 V656N427-E623 PolarHBondContact ND2-OE1 3.24Å; N427-E623 PolarHBondContact ND2-OE2 3.05Å; E623-A625 VanDerWaalsContact C-N 3.3Å; E623-A625 HydrophobicContact CG-CB 4.22Å; E623-A625 PolarHBondContact O-N 3.17Å; E623-G626 PolarHBondContact O-N 3.06Å; E623-A627 PolarHBondContact O-N 3.07Å; E623-A627 VanDerWaalsContact O-N 3.13Å; E623-G653 PolarHBondContact N-O 3.48Å; E623-G653 VanDerWaalsContact N-O 3.17Å; E623-N655 PolarHBondContact OE2-N 3.03Å; E623-N655 VanDerWaalsContact OE2-N 3.15Å; E623-V656 HydrophobicContact CB-CB 4.12Å
624G95.2Very high95.5Very high2 Ų229.4 Ų29.42%0.02114%0.138CC..Hα-helixtrans-56.3-42.8-179.100000113I607 G626 A627 L628I607-G624 WeakPolarHBondContact CG2-O 3.48Å; G624-G626 PolarHBondContact O-N 3.31Å; G624-A627 PolarHBondContact O-N 3.5Å; G624-L628 PolarHBondContact O-N 3.07Å
625A96.6Very high95.6Very high1 Ų131 Ų311%0.00815%0.152CC..Hα-helixtrans-64.9-38.2176.700000112.4P524 A576 C579 E623 A627 L628 S652P524-A625 WeakPolarHBondContact CB-O 3.38Å; P524-A625 WeakPolarHBondContact CG-O 3.38Å; A576-A625 HydrophobicContact CB-CB 4.35Å; C579-A625 HydrophobicContact CB-CB 4.42Å; E623-A625 VanDerWaalsContact C-N 3.3Å; E623-A625 HydrophobicContact CG-CB 4.22Å; E623-A625 PolarHBondContact O-N 3.17Å; A625-A627 PolarHBondContact O-N 3.41Å; A625-L628 PolarHBondContact O-N 3.28Å; A625-S652 PolarHBondContact O-OG 3.39Å
626G97.5Very high95.8Very high0 Ų030.4 Ų30.40%016%0.155CC..Hα-helixtrans-65.3-21.8175.300000113.9E623 G624 S652E623-G626 PolarHBondContact O-N 3.06Å; G624-G626 PolarHBondContact O-N 3.31Å; G626-S652 WeakPolarHBondContact CA-OG 3.04Å; G626-S652 PolarHBondContact N-OG 2.97Å
627A98.1Very high96.2Very high0 Ų028.4 Ų28.40%015%0.145CC..Hα-helixtrans-90.5-14.4-18000000114.1I607 A610 M611 L614 V622 E623 G624 A625 A629 T630 A631I607-A627 HydrophobicContact CG2-CB 4.26Å; A610-A627 HydrophobicContact CB-CB 4.11Å; M611-A627 HydrophobicContact CB-CB 4.48Å; M611-A627 HydrophobicContact CG-CB 3.51Å; L614-A627 HydrophobicContact CD1-CB 4.27Å; V622-A627 HydrophobicContact CG2-CB 4.06Å; E623-A627 PolarHBondContact O-N 3.07Å; E623-A627 VanDerWaalsContact O-N 3.13Å; G624-A627 PolarHBondContact O-N 3.5Å; A625-A627 PolarHBondContact O-N 3.41Å; A627-A629 PolarHBondContact O-N 2.89Å; A627-T630 PolarHBondContact O-N 3.15Å; A627-A631 PolarHBondContact O-N 2.89Å
628L98.8Very high96.5Very high0 Ų021.1 Ų21.10%012%0.118CC..Hα-helixtrans-53.4-49.7-172.7-76.4172.1000113.4P524 V549 A551 A576 C579 V602 I607 G624 A625 T630 A631 A632P524-L628 HydrophobicContact CB-CB 4.1Å; P524-L628 HydrophobicContact CB-CD1 4.03Å; P524-L628 HydrophobicContact CG-CB 4.23Å; V549-L628 HydrophobicContact CB-CB 4.18Å; V549-L628 HydrophobicContact CG1-CB 3.95Å; V549-L628 HydrophobicContact CG1-CD2 4.32Å; V549-L628 WeakPolarHBondContact CG1-O 3.48Å; A551-L628 HydrophobicContact CB-CD2 4.49Å; A576-L628 HydrophobicContact CB-CD1 3.98Å; A576-L628 HydrophobicContact CB-CD2 4.12Å; A576-L628 HydrophobicContact CB-CG 4.11Å; C579-L628 HydrophobicContact CB-CD1 3.81Å; V602-L628 HydrophobicContact CG2-CD2 3.38Å; I607-L628 HydrophobicContact CD1-CD2 3.73Å; I607-L628 HydrophobicContact CG1-CD2 3.93Å; G624-L628 PolarHBondContact O-N 3.07Å; A625-L628 PolarHBondContact O-N 3.28Å; L628-T630 VanDerWaalsContact C-N 3.29Å; L628-T630 PolarHBondContact O-N 2.91Å; L628-A631 WeakPolarHBondContact O-CB 3.37Å; L628-A631 PolarHBondContact O-N 3.28Å; L628-A631 VanDerWaalsContact O-N 3.15Å; L628-A632 PolarHBondContact O-N 3.34Å
629A98.6Very high96.9Very high0 Ų023.4 Ų23.40%013%0.129CC..Hα-helixtrans-60.6-39.7179.800000112.1I522 P524 A627 I633 A649I522-A629 HydrophobicContact CB-CB 4.21Å; I522-A629 HydrophobicContact CG2-CB 3.74Å; I522-A629 WeakPolarHBondContact O-CB 3.45Å; P524-A629 HydrophobicContact CG-CB 4.35Å; A627-A629 PolarHBondContact O-N 2.89Å; A629-I633 WeakPolarHBondContact O-CG1 3.21Å; A629-I633 PolarHBondContact O-N 3.39Å; A629-A649 HydrophobicContact CB-CB 3.89Å
630T98.4Very high97.1Very high2 Ų222.2 Ų22.21%0.01212%0.123CC..Hα-helixtrans-70.6-37.3176.5-620000111.6L378 A610 L614 A627 L628 A632 I633 L634L378-T630 HydrophobicContact CD1-CG2 4.03Å; L378-T630 HydrophobicContact CD2-CG2 4.1Å; A610-T630 HydrophobicContact CB-CG2 4.1Å; L614-T630 HydrophobicContact CD1-CG2 4.16Å; L614-T630 HydrophobicContact CD2-CG2 4.21Å; L614-T630 HydrophobicContact CG-CG2 4.07Å; A627-T630 PolarHBondContact O-N 3.15Å; L628-T630 VanDerWaalsContact C-N 3.29Å; L628-T630 PolarHBondContact O-N 2.91Å; T630-A632 PolarHBondContact O-N 3.33Å; T630-I633 PolarHBondContact O-N 3.49Å; T630-L634 HydrophobicContact CG2-CD1 3.8Å; T630-L634 HydrophobicContact CG2-CG 4.15Å; T630-L634 WeakPolarHBondContact O-CB 3.09Å; T630-L634 WeakPolarHBondContact O-CG 3.37Å; T630-L634 PolarHBondContact O-N 2.65Å
631A98.6Very high97.3Very high0 Ų023.2 Ų23.20%013%0.127CC..Hα-helixtrans-60.7-44175.500000111.6V602 E606 I607 A610 A627 L628 I633 L634 A635V602-A631 HydrophobicContact CB-CB 4.16Å; V602-A631 HydrophobicContact CG1-CB 4.06Å; V602-A631 HydrophobicContact CG2-CB 4.05Å; E606-A631 HydrophobicContact CB-CB 4.4Å; E606-A631 WeakPolarHBondContact O-CB 3.34Å; I607-A631 HydrophobicContact CG1-CB 4.49Å; A610-A631 HydrophobicContact CB-CB 3.72Å; A627-A631 PolarHBondContact O-N 2.89Å; L628-A631 WeakPolarHBondContact O-CB 3.37Å; L628-A631 PolarHBondContact O-N 3.28Å; L628-A631 VanDerWaalsContact O-N 3.15Å; A631-I633 VanDerWaalsContact C-N 3.31Å; A631-I633 PolarHBondContact O-N 3.12Å; A631-L634 PolarHBondContact O-N 3.15Å; A631-A635 WeakPolarHBondContact O-CB 3.42Å; A631-A635 PolarHBondContact O-N 3.49Å
632A98.7Very high97.4Very high0 Ų019.9 Ų19.90%011%0.106CC..Hα-helixtrans-61.1-41.2178.200000112V549 V600 V602 L628 T630 G636 K637 V638V549-A632 HydrophobicContact CB-CB 4.49Å; V549-A632 HydrophobicContact CG1-CB 3.93Å; V549-A632 HydrophobicContact CG2-CB 3.7Å; V600-A632 HydrophobicContact CG2-CB 3.97Å; V602-A632 HydrophobicContact CG1-CB 4.02Å; L628-A632 PolarHBondContact O-N 3.34Å; T630-A632 PolarHBondContact O-N 3.33Å; A632-G636 PolarHBondContact O-N 2.89Å; A632-K637 PolarHBondContact O-N 3.09Å; A632-K637 VanDerWaalsContact O-N 3.09Å; A632-V638 HydrophobicContact CB-CG1 4.19Å; A632-V638 HydrophobicContact CB-CG2 4.33Å
633I98.5Very high97.5Very high3 Ų325.4 Ų25.42%0.01514%0.136CC..Hα-helixtrans-64.8-50.2175.4-65.3171.5000110.8L378 T382 V386 I522 A629 T630 A631 A635 G636 V638 V642 A649L378-I633 HydrophobicContact CD2-CG2 4.3Å; T382-I633 HydrophobicContact CG2-CG2 3.45Å; T382-I633 VanDerWaalsContact CG2-CG2 3.45Å; V386-I633 HydrophobicContact CG1-CD1 3.97Å; I522-I633 HydrophobicContact CD1-CD1 3.77Å; I522-I633 HydrophobicContact CD1-CG1 3.6Å; A629-I633 WeakPolarHBondContact O-CG1 3.21Å; A629-I633 PolarHBondContact O-N 3.39Å; T630-I633 PolarHBondContact O-N 3.49Å; A631-I633 VanDerWaalsContact C-N 3.31Å; A631-I633 PolarHBondContact O-N 3.12Å; I633-A635 VanDerWaalsContact C-N 3.26Å; I633-A635 PolarHBondContact O-N 2.79Å; I633-G636 PolarHBondContact O-N 2.77Å; I633-G636 VanDerWaalsContact O-N 3.12Å; I633-V638 HydrophobicContact CB-CG2 4.48Å; I633-V638 HydrophobicContact CG1-CG2 3.92Å; I633-V642 HydrophobicContact CG1-CG2 4.41Å; I633-A649 HydrophobicContact CD1-CB 3.84Å
634L97.2Very high97.5Very high24 Ų2428.1 Ų28.113%0.12617%0.165CC..Hα-helixtrans-66.2-28.9-176.8-72.9175.2000113.2F377 L378 K381 A610 D613 T630 A631 G636F377-L634 HydrophobicContact CE1-CD2 4Å; F377-L634 HydrophobicContact CZ-CD2 4.29Å; L378-L634 HydrophobicContact CD2-CD2 3.49Å; L378-L634 VanDerWaalsContact CD2-CD2 3.49Å; L378-L634 HydrophobicContact CD2-CG 3.86Å; K381-L634 HydrophobicContact CD-CD2 3.76Å; A610-L634 HydrophobicContact CB-CD1 4.11Å; D613-L634 HydrophobicContact CB-CD1 4.24Å; T630-L634 HydrophobicContact CG2-CD1 3.8Å; T630-L634 HydrophobicContact CG2-CG 4.15Å; T630-L634 WeakPolarHBondContact O-CB 3.09Å; T630-L634 WeakPolarHBondContact O-CG 3.37Å; T630-L634 PolarHBondContact O-N 2.65Å; A631-L634 PolarHBondContact O-N 3.15Å; L634-G636 VanDerWaalsContact C-N 3.3Å
635A97.8Very high97.6Very high37 Ų3731.9 Ų31.931%0.30618%0.181SC..THydrogen-bonded Turntrans-81.3-5.5176.500000113.6E606 A631 I633 K637E606-A635 HydrophobicContact CG-CB 4.06Å; E606-A635 WeakPolarHBondContact OE1-CB 3.36Å; A631-A635 WeakPolarHBondContact O-CB 3.42Å; A631-A635 PolarHBondContact O-N 3.49Å; I633-A635 VanDerWaalsContact C-N 3.26Å; I633-A635 PolarHBondContact O-N 2.79Å; A635-K637 HydrophobicContact CB-CD 4.19Å; A635-K637 HydrophobicContact CB-CG 4.01Å; A635-K637 PolarHBondContact O-N 3.33Å
636G97.1Very high97.7Very high28 Ų2834.2 Ų34.229%0.28919%0.191SC..THydrogen-bonded Turntrans72.610.1-178.100000114.7A632 I633 L634 V638 D639A632-G636 PolarHBondContact O-N 2.89Å; I633-G636 PolarHBondContact O-N 2.77Å; I633-G636 VanDerWaalsContact O-N 3.12Å; L634-G636 VanDerWaalsContact C-N 3.3Å; G636-V638 PolarHBondContact O-N 2.78Å; G636-D639 WeakPolarHBondContact CA-OD1 3.14Å; G636-D639 WeakPolarHBondContact CA-OD2 3.17Å; G636-D639 PolarHBondContact O-N 2.62Å
637K98.1Very high97.7Very high65 Ų6534.2 Ų34.228%0.28319%0.191SC..THydrogen-bonded Turntrans-72.8-11.4-174.4-69.2-178173.1171.30113.4E552 T601 V602 E606 A632 A635E552-K637 IonicContact OE1-NZ 3.96Å; E552-K637 PolarHBondContact OE1-NZ 3.31Å; T601-K637 WeakPolarHBondContact O-CD 3.45Å; T601-K637 WeakPolarHBondContact O-CE 3.43Å; T601-K637 PolarHBondContact O-NZ 3.42Å; V602-K637 HydrophobicContact CG1-CD 4.19Å; E606-K637 WeakPolarHBondContact OE1-CE 3.44Å; E606-K637 IonicContact OE1-NZ 3.89Å; E606-K637 PolarHBondContact OE1-NZ 3.2Å; E606-K637 IonicContact OE2-NZ 3.39Å; E606-K637 PolarHBondContact OE2-NZ 2.94Å; A632-K637 PolarHBondContact O-N 3.09Å; A632-K637 VanDerWaalsContact O-N 3.09Å; A635-K637 HydrophobicContact CB-CD 4.19Å; A635-K637 HydrophobicContact CB-CG 4.01Å; A635-K637 PolarHBondContact O-N 3.33Å
638V97.9Very high97.8Very high0 Ų034.3 Ų34.30%019%0.191CC..THydrogen-bonded Turntrans-127.117-178.4-65.50000112.6I522 I547 V600 A632 I633 G636 K640 Y641 V642I522-V638 HydrophobicContact CD1-CB 4.46Å; I522-V638 HydrophobicContact CD1-CG2 3.88Å; I547-V638 HydrophobicContact CG2-CG1 3.86Å; V600-V638 HydrophobicContact CG1-CG1 4.1Å; V600-V638 HydrophobicContact CG2-CG1 3.84Å; A632-V638 HydrophobicContact CB-CG1 4.19Å; A632-V638 HydrophobicContact CB-CG2 4.33Å; I633-V638 HydrophobicContact CB-CG2 4.48Å; I633-V638 HydrophobicContact CG1-CG2 3.92Å; G636-V638 PolarHBondContact O-N 2.78Å; V638-K640 VanDerWaalsContact C-N 3.25Å; V638-K640 PolarHBondContact O-N 3.38Å; V638-K640 VanDerWaalsContact O-N 3.13Å; V638-Y641 HydrophobicContact CB-CD2 4.47Å; V638-Y641 WeakPolarHBondContact O-CA 3.44Å; V638-Y641 WeakPolarHBondContact O-CB 3.43Å; V638-Y641 PolarHBondContact O-N 3.14Å; V638-V642 HydrophobicContact CB-CG2 4.43Å; V638-V642 HydrophobicContact CG2-CG2 3.84Å; V638-V642 WeakPolarHBondContact O-CG2 3.43Å; V638-V642 PolarHBondContact O-N 2.97Å
639D97.9Very high97.8Very high78 Ų7834.3 Ų34.342%0.41719%0.191SC..G310 helixtrans-55.5-36.5-172.5-78.8-9.9000113.8G636 Y641 V642 N643G636-D639 WeakPolarHBondContact CA-OD1 3.14Å; G636-D639 WeakPolarHBondContact CA-OD2 3.17Å; G636-D639 PolarHBondContact O-N 2.62Å; D639-Y641 PolarHBondContact O-N 2.8Å; D639-Y641 VanDerWaalsContact O-N 3.16Å; D639-V642 PolarHBondContact O-N 2.82Å; D639-N643 PolarHBondContact O-N 2.84Å
640K97Very high97.8Very high140 Ų14034.3 Ų34.361%0.60919%0.192SC*.G310 helixtrans-58.6-25.6175.357.7165164152.90113.6D598 V638D598-K640 WeakPolarHBondContact OD2-CE 3.41Å; D598-K640 IonicContact OD2-NZ 3.64Å; D598-K640 PolarHBondContact OD2-NZ 3.48Å; V638-K640 VanDerWaalsContact C-N 3.25Å; V638-K640 PolarHBondContact O-N 3.38Å; V638-K640 VanDerWaalsContact O-N 3.13Å
641Y97.5Very high97.8Very high33 Ų3334.2 Ų34.213%0.12919%0.191CC..G310 helixtrans-99.1-3.8178.5-57.9-69.3000113.2T520 N545 I547 D598 V638 D639T520-Y641 WeakPolarHBondContact CB-O 3.29Å; T520-Y641 PolarHBondContact OG1-O 2.77Å; N545-Y641 HydrophobicContact CB-CD1 4.02Å; N545-Y641 HydrophobicContact CB-CE1 4.36Å; I547-Y641 HydrophobicContact CD1-CD1 4.02Å; I547-Y641 HydrophobicContact CD1-CD2 3.66Å; I547-Y641 HydrophobicContact CD1-CE1 3.92Å; I547-Y641 HydrophobicContact CD1-CE2 3.54Å; I547-Y641 HydrophobicContact CD1-CG 3.9Å; I547-Y641 HydrophobicContact CG1-CD2 4.04Å; I547-Y641 HydrophobicContact CG1-CE2 4.39Å; I547-Y641 HydrophobicContact CG1-CG 4.17Å; D598-Y641 HydrophobicContact CB-CE2 3.88Å; D598-Y641 WeakPolarHBondContact OD2-CE2 3.45Å; D598-Y641 PolarHBondContact OD2-OH 2.87Å; V638-Y641 HydrophobicContact CB-CD2 4.47Å; V638-Y641 WeakPolarHBondContact O-CA 3.44Å; V638-Y641 WeakPolarHBondContact O-CB 3.43Å; V638-Y641 PolarHBondContact O-N 3.14Å; D639-Y641 PolarHBondContact O-N 2.8Å; D639-Y641 VanDerWaalsContact O-N 3.16Å
642V97.9Very high97.8Very high0 Ų034.3 Ų34.30%019%0.192CC..THydrogen-bonded Turntrans-113.4-43.5-174.31790000112.9T382 G384 V386 I522 I633 V638 D639 G644 K645 V647T382-V642 HydrophobicContact CG2-CG1 4.09Å; T382-V642 WeakPolarHBondContact OG1-CG1 3.15Å; G384-V642 WeakPolarHBondContact CA-O 3.45Å; V386-V642 HydrophobicContact CG2-CG1 4.1Å; I522-V642 HydrophobicContact CD1-CG2 4.22Å; I633-V642 HydrophobicContact CG1-CG2 4.41Å; V638-V642 HydrophobicContact CB-CG2 4.43Å; V638-V642 HydrophobicContact CG2-CG2 3.84Å; V638-V642 WeakPolarHBondContact O-CG2 3.43Å; V638-V642 PolarHBondContact O-N 2.97Å; D639-V642 PolarHBondContact O-N 2.82Å; V642-G644 PolarHBondContact O-N 2.77Å; V642-K645 PolarHBondContact O-N 2.79Å; V642-V647 HydrophobicContact CB-CG2 4.16Å; V642-V647 HydrophobicContact CG1-CG2 4.11Å; V642-V647 HydrophobicContact CG2-CG1 4.35Å; V642-V647 HydrophobicContact CG2-CG2 4.1Å
643N95.9Very high97.7Very high117 Ų11734.3 Ų34.363%0.62619%0.192SC*.THydrogen-bonded Turntrans-62.8119.5-171.9-171.90.2000111.7D639 K645D639-N643 PolarHBondContact O-N 2.84Å; N643-K645 PolarHBondContact O-N 2.83Å
644G95.1Very high97.4Very high61 Ų6135 Ų3563%0.62920%0.199SC*.THydrogen-bonded Turntrans70.912-177.800000115G383 V642G383-G644 PolarHBondContact O-N 3Å; V642-G644 PolarHBondContact O-N 2.77Å
645K97Very high97.2Very high81 Ų8135.6 Ų35.635%0.35220%0.202SC..SBendtrans-114.2155.8-174.5-61.4-52.6-163.5161.70112.7G384 Q385 D519 V642 N643 V647G384-K645 CarbonylContact C-O 3.59Å; G384-K645 WeakPolarHBondContact CA-O 3.49Å; Q385-K645 PolarHBondContact N-O 3.46Å; D519-K645 HydrophobicContact CB-CB 3.92Å; D519-K645 HydrophobicContact CB-CD 4.08Å; D519-K645 HydrophobicContact CB-CG 4.32Å; D519-K645 IonicContact OD1-NZ 2.88Å; D519-K645 PolarHBondContact OD1-NZ 3.48Å; D519-K645 WeakPolarHBondContact OD2-CA 3.31Å; V642-K645 PolarHBondContact O-N 2.79Å; N643-K645 PolarHBondContact O-N 2.83Å; K645-V647 HydrophobicContact CB-CG2 4.16Å
646K97.9Very high96.7Very high50 Ų5035.3 Ų35.322%0.21720%0.197CC..EExtended strand (participates in β ladder)trans-84.9116.3166.9-76.3179.1172.9-178.70109.4Q385 I515 D517 D519 T520Q385-K646 HydrophobicContact CB-CG 4.19Å; I515-K646 HydrophobicContact CG2-CD 4.23Å; D517-K646 WeakPolarHBondContact OD1-CD 3.16Å; D517-K646 IonicContact OD1-NZ 3.91Å; D517-K646 PolarHBondContact OD1-NZ 3.04Å; D517-K646 IonicContact OD2-NZ 2.74Å; D517-K646 PolarHBondContact OD2-NZ 3.47Å; D519-K646 PolarHBondContact N-O 3.35Å; D519-K646 PolarHBondContact OD2-N 2.92Å; T520-K646 PolarHBondContact N-O 3.35Å
647V98.7Very high96.1Very high0 Ų036.7 Ų36.70%020%0.198CC..EExtended strand (participates in β ladder)trans-124.2135.4-171.1-173.70000110.4Q385 V386 F387 T520 I522 V642 K645Q385-V647 PolarHBondContact O-N 3.42Å; V386-V647 CarbonylContact C-O 3.52Å; V386-V647 WeakPolarHBondContact CA-O 3.49Å; F387-V647 PolarHBondContact N-O 3Å; T520-V647 HydrophobicContact CG2-CG1 4.35Å; T520-V647 CarbonylContact O-C 3.15Å; T520-V647 VanDerWaalsContact O-CA 3.31Å; T520-V647 WeakPolarHBondContact O-CA 3.46Å; I522-V647 HydrophobicContact CD1-CG1 3.56Å; I522-V647 HydrophobicContact CG1-CG1 4.08Å; V642-V647 HydrophobicContact CB-CG2 4.16Å; V642-V647 HydrophobicContact CG1-CG2 4.11Å; V642-V647 HydrophobicContact CG2-CG1 4.35Å; V642-V647 HydrophobicContact CG2-CG2 4.1Å; K645-V647 HydrophobicContact CB-CG2 4.16Å
648V98.9Very high95.4Very high1 Ų139.8 Ų39.81%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-110.9120.1169.4178.70000109.5L372 F387 K389 I511 V518 T520 V521 I522L372-V648 HydrophobicContact CD1-CG1 3.99Å; L372-V648 HydrophobicContact CD1-CG2 4.01Å; F387-V648 HydrophobicContact CB-CG2 4.23Å; F387-V648 CarbonylContact O-C 3.46Å; F387-V648 WeakPolarHBondContact O-CA 3.5Å; K389-V648 HydrophobicContact CB-CG1 3.81Å; I511-V648 HydrophobicContact CD1-CG1 3.88Å; I511-V648 HydrophobicContact CG1-CG1 4.17Å; I511-V648 HydrophobicContact CG2-CG2 3.98Å; V518-V648 HydrophobicContact CG2-CB 4.42Å; V518-V648 HydrophobicContact CG2-CG2 3.78Å; T520-V648 PolarHBondContact O-N 3.27Å; V521-V648 CarbonylContact C-O 3.51Å; V521-V648 WeakPolarHBondContact CA-O 3.43Å; V521-V648 HydrophobicContact CG1-CB 4.41Å; V521-V648 HydrophobicContact CG2-CB 4.19Å; I522-V648 PolarHBondContact N-O 2.8Å
649A98.7Very high94.7Very high0 Ų045.1 Ų45.10%025%0.245CC..EExtended strand (participates in β ladder)trans-96.8124.3168.700000109.7F387 L388 K389 A629 I633 V651F387-A649 PolarHBondContact O-N 3.18Å; L388-A649 WeakPolarHBondContact CA-O 3.32Å; L388-A649 HydrophobicContact CD2-CB 3.96Å; K389-A649 PolarHBondContact N-O 2.91Å; A629-A649 HydrophobicContact CB-CB 3.89Å; I633-A649 HydrophobicContact CD1-CB 3.84Å; A649-V651 PolarHBondContact O-N 3Å
650V98.8Very high94.1Very high1 Ų147 Ų471%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-82.8119.8179.2-178.40000110.1K389 V521 I522 V523 P524 L529 I533 S652K389-V650 HydrophobicContact CB-CG2 4.49Å; V521-V650 HydrophobicContact CG1-CG2 4.09Å; I522-V650 PolarHBondContact O-N 3.3Å; V523-V650 HydrophobicContact CG2-CG2 4.18Å; P524-V650 WeakPolarHBondContact CD-O 3.24Å; P524-V650 WeakPolarHBondContact CG-O 3.47Å; L529-V650 HydrophobicContact CD2-CG1 4.25Å; I533-V650 HydrophobicContact CD1-CG2 4.23Å; V650-S652 PolarHBondContact O-N 2.89Å
651V98.5Very high93.5Very high0 Ų041.5 Ų41.50%022%0.223CC..EExtended strand (participates in β ladder)trans-93.288.9171.4-178.30000107.8L388 K389 L390 E391 N392 I620 V622 A649 G653L388-V651 HydrophobicContact CB-CG2 4.23Å; L388-V651 HydrophobicContact CD2-CG2 4.34Å; K389-V651 PolarHBondContact O-N 3.19Å; L390-V651 HydrophobicContact CD2-CB 4.07Å; L390-V651 HydrophobicContact CD2-CG2 3.9Å; E391-V651 WeakPolarHBondContact CA-O 3.44Å; E391-V651 WeakPolarHBondContact CB-O 3.25Å; E391-V651 PolarHBondContact N-O 3.45Å; N392-V651 HydrophobicContact CB-CG1 4.2Å; N392-V651 PolarHBondContact N-O 3.37Å; I620-V651 HydrophobicContact CG2-CG1 4.39Å; V622-V651 HydrophobicContact CB-CG1 4.44Å; V622-V651 HydrophobicContact CG1-CG1 3.38Å; A649-V651 PolarHBondContact O-N 3Å; V651-G653 PolarHBondContact O-N 3.41Å
652S98Very high92.9Very high2 Ų244.1 Ų44.11%0.01424%0.243CC..  trans-67.9-34.2-165.359.30000114.6S398 F399 A625 G626 V650S398-S652 WeakPolarHBondContact CA-O 3.44Å; F399-S652 VanDerWaalsContact CD1-O 3.3Å; F399-S652 WeakPolarHBondContact CD1-O 3.49Å; F399-S652 PolarHBondContact N-O 3.36Å; F399-S652 VanDerWaalsContact N-O 3.08Å; A625-S652 PolarHBondContact O-OG 3.39Å; G626-S652 WeakPolarHBondContact CA-OG 3.04Å; G626-S652 PolarHBondContact N-OG 2.97Å; V650-S652 PolarHBondContact O-N 2.89Å
653G96.2Very high92.3Very high0 Ų047.9 Ų47.90%026%0.263CS..BIsolated β-bridgetrans-161161.5-175.100000114.7E623 V651E623-G653 PolarHBondContact N-O 3.48Å; E623-G653 VanDerWaalsContact N-O 3.17Å; V651-G653 PolarHBondContact O-N 3.41Å
654G94.2Very high91.6Very high16 Ų1642.4 Ų42.417%0.16523%0.234CC..  trans-130.410.9-177.400000115.4G397 V656G397-G654 PolarHBondContact O-N 3.43Å; G654-V656 VanDerWaalsContact C-N 3.27Å; G654-V656 PolarHBondContact O-N 3.4Å
655N91.5Very high90.9Very high38 Ų3843.1 Ų43.120%0.20322%0.222CC..  trans-85.766.7-172.9-70.6-34.4000112.1T396 N427 E623T396-N655 PolarHBondContact O-ND2 3.17Å; T396-N655 PolarHBondContact O-OD1 3.16Å; N427-N655 WeakPolarHBondContact OD1-CB 3.31Å; N427-N655 PolarHBondContact OD1-ND2 2.96Å; E623-N655 PolarHBondContact OE2-N 3.03Å; E623-N655 VanDerWaalsContact OE2-N 3.15Å
656V88.3Confident90Very high31 Ų3140.7 Ų40.719%0.18822%0.22CC..  trans-100142.9179.762.70000111.8M611 V621 V622 E623 G654 R660 I661M611-V656 HydrophobicContact CE-CG2 4.06Å; V621-V656 HydrophobicContact CG1-CG1 3.84Å; V622-V656 WeakPolarHBondContact O-CG1 3.32Å; E623-V656 HydrophobicContact CB-CB 4.12Å; G654-V656 VanDerWaalsContact C-N 3.27Å; G654-V656 PolarHBondContact O-N 3.4Å; V656-R660 HydrophobicContact CG2-CB 3.9Å; V656-R660 HydrophobicContact CG2-CG 3.96Å; V656-I661 HydrophobicContact CG1-CD1 3.45Å; V656-I661 VanDerWaalsContact CG1-CD1 3.45Å; V656-I661 HydrophobicContact CG1-CG1 3.68Å; V656-I661 HydrophobicContact CG2-CG1 4.03Å
657D84.5Confident88.9Confident57 Ų5743.3 Ų43.331%0.30523%0.233SC..  trans-70.1139.7173.5-167-56.8000110.5N659 R660 I661D657-N659 PolarHBondContact O-N 3.21Å; D657-N659 VanDerWaalsContact OD1-CB 3.32Å; D657-N659 WeakPolarHBondContact OD1-CB 3.5Å; D657-N659 PolarHBondContact OD1-N 2.85Å; D657-N659 PolarHBondContact OD1-ND2 2.91Å; D657-R660 HydrophobicContact CB-CB 4.3Å; D657-R660 WeakPolarHBondContact O-CA 3.31Å; D657-R660 VanDerWaalsContact O-CB 3.32Å; D657-R660 WeakPolarHBondContact O-CB 3.39Å; D657-R660 PolarHBondContact O-N 2.8Å; D657-I661 PolarHBondContact O-N 3.45Å
658L82.2Confident87.5Confident129 Ų12945.7 Ų45.768%0.67524%0.243SC*.Hα-helixtrans-61.8-31.3178-69177.7000112.7R660 I661 T662L658-R660 VanDerWaalsContact C-N 3.3Å; L658-I661 HydrophobicContact CD2-CD1 4.01Å; L658-I661 PolarHBondContact O-N 3.07Å; L658-T662 PolarHBondContact O-N 3.01Å; L658-T662 PolarHBondContact O-OG1 3.34Å
659N84.8Confident85.6Confident113 Ų11348.8 Ų48.860%0.60427%0.265SS*.Hα-helixtrans-62.8-41.7172.7-65.4-46000110.3D657 I661 T662 D663D657-N659 PolarHBondContact O-N 3.21Å; D657-N659 VanDerWaalsContact OD1-CB 3.32Å; D657-N659 WeakPolarHBondContact OD1-CB 3.5Å; D657-N659 PolarHBondContact OD1-N 2.85Å; D657-N659 PolarHBondContact OD1-ND2 2.91Å; N659-I661 PolarHBondContact O-N 3.32Å; N659-T662 CarbonylContact O-C 3.58Å; N659-T662 WeakPolarHBondContact O-CA 3.26Å; N659-T662 WeakPolarHBondContact O-CB 3.36Å; N659-T662 PolarHBondContact O-N 3.09Å; N659-T662 VanDerWaalsContact O-N 3.09Å; N659-D663 VanDerWaalsContact O-CG 3.25Å; N659-D663 PolarHBondContact O-N 3.38Å
660R83.8Confident83.4Confident118 Ų11853.1 Ų53.145%0.44529%0.291SS..Hα-helixtrans-64.5-41.5176.8-173.465.264.7160.82.5111.9I575 V656 D657 L658 T662 D663 V664I575-R660 HydrophobicContact CD1-CG 3.98Å; I575-R660 HydrophobicContact CG1-CG 4.27Å; V656-R660 HydrophobicContact CG2-CB 3.9Å; V656-R660 HydrophobicContact CG2-CG 3.96Å; D657-R660 HydrophobicContact CB-CB 4.3Å; D657-R660 WeakPolarHBondContact O-CA 3.31Å; D657-R660 VanDerWaalsContact O-CB 3.32Å; D657-R660 WeakPolarHBondContact O-CB 3.39Å; D657-R660 PolarHBondContact O-N 2.8Å; L658-R660 VanDerWaalsContact C-N 3.3Å; R660-T662 VanDerWaalsContact C-N 3.26Å; R660-T662 PolarHBondContact O-N 3.45Å; R660-D663 PolarHBondContact O-N 3.2Å; R660-V664 VanDerWaalsContact O-CG2 3.31Å; R660-V664 WeakPolarHBondContact O-CG2 3.46Å; R660-V664 PolarHBondContact O-N 3.03Å
661I84.3Confident81.1Confident24 Ų2455.9 Ų55.912%0.12331%0.314CS..Hα-helixtrans-59.6-43173-69.4163.8000110.1I615 V621 V656 D657 L658 N659 V664 I665I615-I661 HydrophobicContact CD1-CG2 4.36Å; V621-I661 HydrophobicContact CG1-CD1 4Å; V656-I661 HydrophobicContact CG1-CD1 3.45Å; V656-I661 VanDerWaalsContact CG1-CD1 3.45Å; V656-I661 HydrophobicContact CG1-CG1 3.68Å; V656-I661 HydrophobicContact CG2-CG1 4.03Å; D657-I661 PolarHBondContact O-N 3.45Å; L658-I661 HydrophobicContact CD2-CD1 4.01Å; L658-I661 PolarHBondContact O-N 3.07Å; N659-I661 PolarHBondContact O-N 3.32Å; I661-V664 PolarHBondContact O-N 3.39Å; I661-I665 HydrophobicContact CG2-CD1 3.54Å; I661-I665 HydrophobicContact CG2-CG1 4.23Å; I661-I665 WeakPolarHBondContact O-CB 3.31Å; I661-I665 VanDerWaalsContact O-CG1 3.24Å; I661-I665 WeakPolarHBondContact O-CG1 3.45Å; I661-I665 PolarHBondContact O-N 3.27Å
662T86.3Confident78.7Confident87 Ų8761.9 Ų61.953%0.53435%0.346SS..Hα-helixtrans-61.8-43.8178.3-54.60000111.5L658 N659 R660 I665 G666L658-T662 PolarHBondContact O-N 3.01Å; L658-T662 PolarHBondContact O-OG1 3.34Å; N659-T662 CarbonylContact O-C 3.58Å; N659-T662 WeakPolarHBondContact O-CA 3.26Å; N659-T662 WeakPolarHBondContact O-CB 3.36Å; N659-T662 PolarHBondContact O-N 3.09Å; N659-T662 VanDerWaalsContact O-N 3.09Å; R660-T662 VanDerWaalsContact C-N 3.26Å; R660-T662 PolarHBondContact O-N 3.45Å; T662-I665 PolarHBondContact O-N 3.19Å; T662-G666 PolarHBondContact O-N 3.43Å
663D84.5Confident76.1Confident80 Ų8069.8 Ų69.843%0.42838%0.383SS..Hα-helixtrans-61.3-48.5177-63.2-27.1000111.2N659 R660 I665 G666 H667N659-D663 VanDerWaalsContact O-CG 3.25Å; N659-D663 PolarHBondContact O-N 3.38Å; R660-D663 PolarHBondContact O-N 3.2Å; D663-I665 PolarHBondContact O-N 3.46Å; D663-G666 PolarHBondContact O-N 3.47Å; D663-H667 PolarHBondContact O-CD2 3.11Å; D663-H667 PolarHBondContact O-N 2.77Å
664V82Confident73.2Confident2 Ų277.2 Ų77.21%0.01242%0.422CS..Hα-helixtrans-59.8-45.8177.7171.80000110.8I575 E608 M611 K612 R660 I661 F668I575-V664 HydrophobicContact CD1-CG2 3.9Å; E608-V664 HydrophobicContact CB-CG1 4.24Å; E608-V664 HydrophobicContact CB-CG2 4.46Å; E608-V664 HydrophobicContact CG-CG2 4.07Å; E608-V664 WeakPolarHBondContact O-CG1 3.33Å; M611-V664 HydrophobicContact CB-CG1 4.3Å; M611-V664 HydrophobicContact CE-CG2 4.21Å; M611-V664 HydrophobicContact SD-CG2 4.36Å; K612-V664 HydrophobicContact CB-CG1 4.38Å; R660-V664 VanDerWaalsContact O-CG2 3.31Å; R660-V664 WeakPolarHBondContact O-CG2 3.46Å; R660-V664 PolarHBondContact O-N 3.03Å; I661-V664 PolarHBondContact O-N 3.39Å; V664-F668 HydrophobicContact CG1-CE2 4.38Å; V664-F668 WeakPolarHBondContact O-CD2 3.37Å
665I80.7Confident70.4Confident76 Ų7688.2 Ų88.239%0.3947%0.465SS..Hα-helixtrans-64.7-43.7177.2-68170.8000110.4I661 T662 D663 H667 F668 S669I661-I665 HydrophobicContact CG2-CD1 3.54Å; I661-I665 HydrophobicContact CG2-CG1 4.23Å; I661-I665 WeakPolarHBondContact O-CB 3.31Å; I661-I665 VanDerWaalsContact O-CG1 3.24Å; I661-I665 WeakPolarHBondContact O-CG1 3.45Å; I661-I665 PolarHBondContact O-N 3.27Å; T662-I665 PolarHBondContact O-N 3.19Å; D663-I665 PolarHBondContact O-N 3.46Å; I665-H667 PolarHBondContact O-N 2.87Å; I665-F668 PolarHBondContact O-N 3.16Å; I665-F668 VanDerWaalsContact O-N 3.16Å; I665-S669 PolarHBondContact O-N 3.37Å; I665-S669 PolarHBondContact O-OG 3.38Å
666G77.5Confident69.3Low29 Ų2990.7 Ų90.730%0.29948%0.478SS..Hα-helixtrans-59-44.3179.600000112.8T662 D663 F668 S669 V670T662-G666 PolarHBondContact O-N 3.43Å; D663-G666 PolarHBondContact O-N 3.47Å; G666-F668 PolarHBondContact O-N 2.89Å; G666-S669 PolarHBondContact O-N 2.88Å; G666-V670 WeakPolarHBondContact O-CG2 3.16Å; G666-V670 PolarHBondContact O-N 3.39Å; G666-V670 VanDerWaalsContact O-N 3.11Å
667H74.8Confident68.3Low105 Ų10593.8 Ų93.849%0.48649%0.493SS..Hα-helixtrans-54.7-36.4176.3-72.5175.4000112.6E608 D663 I665E608-H667 IonicContact OE1-CE1 3.79Å; E608-H667 IonicContact OE1-ND1 2.88Å; E608-H667 PolarHBondContact OE1-ND1 3.21Å; E608-H667 IonicContact OE2-CE1 3.25Å; E608-H667 IonicContact OE2-CG 2.87Å; E608-H667 IonicContact OE2-ND1 3.61Å; E608-H667 PolarHBondContact OE2-ND1 3.27Å; D663-H667 PolarHBondContact O-CD2 3.11Å; D663-H667 PolarHBondContact O-N 2.77Å; I665-H667 PolarHBondContact O-N 2.87Å
668F68.3Low67.5Low50 Ų5095.9 Ų95.922%0.21950%0.504CS..Hα-helixtrans-95.1-22.4-179.4-65.4-71.5000114.5E608 L609 K612 V664 I665 G666 N672E608-F668 HydrophobicContact CB-CE2 3.93Å; E608-F668 HydrophobicContact CB-CZ 4.23Å; L609-F668 HydrophobicContact CB-CZ 3.93Å; L609-F668 HydrophobicContact CD1-CE1 4.05Å; L609-F668 HydrophobicContact CD1-CZ 4.15Å; K612-F668 HydrophobicContact CB-CD2 4.13Å; K612-F668 HydrophobicContact CB-CE2 4.29Å; K612-F668 HydrophobicContact CD-CB 3.75Å; K612-F668 HydrophobicContact CD-CD1 4.4Å; K612-F668 HydrophobicContact CD-CD2 3.63Å; K612-F668 HydrophobicContact CD-CE2 4.34Å; K612-F668 HydrophobicContact CD-CG 3.67Å; K612-F668 HydrophobicContact CG-CD2 4.23Å; V664-F668 HydrophobicContact CG1-CE2 4.38Å; V664-F668 WeakPolarHBondContact O-CD2 3.37Å; I665-F668 PolarHBondContact O-N 3.16Å; I665-F668 VanDerWaalsContact O-N 3.16Å; G666-F668 PolarHBondContact O-N 2.89Å; F668-N672 PolarHBondContact O-N 3.2Å
669S60.6Low66.6Low66 Ų6693.9 Ų93.946%0.46249%0.494SS..Hα-helixtrans-68.4-44.5172.4-78.10000111.3I665 G666 A671 N672 E673I665-S669 PolarHBondContact O-N 3.37Å; I665-S669 PolarHBondContact O-OG 3.38Å; G666-S669 PolarHBondContact O-N 2.88Å; S669-A671 VanDerWaalsContact C-N 3.28Å; S669-A671 PolarHBondContact O-N 3.47Å; S669-N672 PolarHBondContact O-N 3.26Å; S669-N672 VanDerWaalsContact O-N 3.12Å; S669-E673 PolarHBondContact O-N 3.33Å
670V51.8Low65.5Low91 Ų9192.8 Ų92.855%0.55249%0.487SS*.Hα-helixtrans-66.1-32.4178.4-178.40000111.4G666 N672 E673G666-V670 WeakPolarHBondContact O-CG2 3.16Å; G666-V670 PolarHBondContact O-N 3.39Å; G666-V670 VanDerWaalsContact O-N 3.11Å; V670-N672 PolarHBondContact O-N 3.4Å; V670-E673 PolarHBondContact O-N 3.12Å
671A50.4Low64.2Low59 Ų5991.1 Ų91.149%0.48849%0.489SS..Hα-helixtrans-66.8-23.1175.400000113.7S669S669-A671 VanDerWaalsContact C-N 3.28Å; S669-A671 PolarHBondContact O-N 3.47Å
672N48.4Very low62.8Low127 Ų12795.9 Ų95.968%0.67952%0.516SS*.Hα-helixtrans-88.6-16.7175.5-82-25.8000113.5F668 S669 V670 L674F668-N672 PolarHBondContact O-N 3.2Å; S669-N672 PolarHBondContact O-N 3.26Å; S669-N672 VanDerWaalsContact O-N 3.12Å; V670-N672 PolarHBondContact O-N 3.4Å; N672-L674 VanDerWaalsContact C-N 3.3Å
673E43.1Very low61Low167 Ų16796.5 Ų96.578%0.7851%0.514SS*.THydrogen-bonded Turntrans-82-5.3175.7-72.6-171.8168.300113.5S669 V670S669-E673 PolarHBondContact O-N 3.33Å; V670-E673 PolarHBondContact O-N 3.12Å
674L35.7Very low59Low156 Ų15697.9 Ų97.982%0.81752%0.521SS*.THydrogen-bonded Turntrans-100.918.2176.7-83.8163.2000114.5N672N672-L674 VanDerWaalsContact C-N 3.3Å
675K35.1Very low56.9Low247 Ų247106.6 Ų106.6100%1.07457%0.568SS**  trans-1140164.7-82.3-172.1177.5179.40110.1

Retrieved 675 of 675 residues in 928.7 ms (Link to these results)

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