A0A3B3U2A0_9TELE Loading...

MacroH2A.1 histone

AlphaFold DB , UniProt , Accession A0A3B3U2A0, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 365 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.8Very low56Low254 Ų254159.5 Ų159.5100%1.25187%0.872SS**  0109.70-70.7-176.916100108.4
2S48.6Very low58Low121 Ų121163.7 Ų163.785%0.84688%0.875SS**  trans-121.5108.7178.1-174.80000108.6R4S2-R4 PolarHBondContact O-N 3.18Å
3S45.5Very low60.2Low119 Ų119157.1 Ų157.183%0.83284%0.844SS**  trans-76.798.4-18049.40000110.1G5S3-G5 VanDerWaalsContact C-N 3.35Å; S3-G5 PolarHBondContact O-N 3.11Å
4R50.8Low62.4Low251 Ų251149.9 Ų149.995%0.94781%0.812SS**  trans-71.692164.2-106.9177172.5162.3-2.3108.8S2 G6S2-R4 PolarHBondContact O-N 3.18Å; R4-G6 PolarHBondContact O-N 3.48Å
5G48.8Very low64.3Low71 Ų71149.3 Ų149.373%0.73279%0.793SS**  trans-63.9111170.400000111S3 K7S3-G5 VanDerWaalsContact C-N 3.35Å; S3-G5 PolarHBondContact O-N 3.11Å; G5-K7 PolarHBondContact O-N 3.04Å
6G53.7Low66.2Low75 Ų75141 Ų14177%0.77375%0.751SS**  trans-63.5115.8171.900000110.5R4 K8R4-G6 PolarHBondContact O-N 3.48Å; G6-K8 PolarHBondContact O-N 3.49Å; G6-K8 VanDerWaalsContact O-N 3.14Å
7K60.8Low67.8Low207 Ų207138.6 Ų138.690%0.974%0.744SS**  trans-60.9115.8170.9-82.8178.8177.3172.90109G5 K9G5-K7 PolarHBondContact O-N 3.04Å; K7-K9 PolarHBondContact O-N 3.2Å
8K62.1Low69.2Low195 Ų195139.9 Ų139.985%0.84874%0.741SS**  trans-49.5121.6168-106.8178.2177175.40109G6 T10G6-K8 PolarHBondContact O-N 3.49Å; G6-K8 VanDerWaalsContact O-N 3.14Å; K8-T10 PolarHBondContact O-N 2.85Å
9K61.9Low70.4Confident209 Ų209134.8 Ų134.891%0.90972%0.721SS**  trans-65.398.8173.7-126.8178.1-176177.20107.8K7 T11K7-K9 PolarHBondContact O-N 3.2Å; K9-T11 PolarHBondContact O-N 3.34Å
10T65.2Low71.6Confident123 Ų123131.4 Ų131.476%0.75572%0.719SS**  trans-70.5117.3174.344.20000108.9K8 K12K8-T10 PolarHBondContact O-N 2.85Å; T10-K12 PolarHBondContact O-N 3.23Å; T10-K12 VanDerWaalsContact O-N 3.12Å
11T73.1Confident72.7Confident130 Ų130126.1 Ų126.180%0.79869%0.691SS**  trans-64111.8175.141.60000109K9 T13K9-T11 PolarHBondContact O-N 3.34Å; T11-T13 PolarHBondContact O-N 2.95Å
12K80.1Confident75.1Confident209 Ų209121.2 Ų121.291%0.90967%0.668SS**  trans-67.7102.5176.6-71.6-176.8-179.5177.30109.2T10T10-K12 PolarHBondContact O-N 3.23Å; T10-K12 VanDerWaalsContact O-N 3.12Å
13T86.3Confident77.3Confident78 Ų78118 Ų11848%0.47964%0.639SS.*  trans-64.3133.5170.949.60000110.5T11 K18T11-T13 PolarHBondContact O-N 2.95Å; T13-K18 WeakPolarHBondContact OG1-CE 3.4Å
14S91.4Very high79.7Confident56 Ų56114.1 Ų114.139%0.39261%0.611SS.*  trans-67.4157.8179.287.30000111.7S16 T17 K18S14-S16 VanDerWaalsContact C-N 3.28Å; S14-S16 PolarHBondContact O-N 3.24Å; S14-S16 PolarHBondContact OG-N 2.72Å; S14-T17 PolarHBondContact O-N 3.16Å; S14-T17 WeakPolarHBondContact OG-CB 3.44Å; S14-T17 PolarHBondContact OG-N 3.27Å; S14-T17 PolarHBondContact OG-OG1 3.33Å; S14-K18 WeakPolarHBondContact O-CG 3.5Å; S14-K18 PolarHBondContact O-N 2.92Å
15R90.3Very high81.9Confident141 Ų141102.2 Ų102.253%0.53257%0.566SS.*Hα-helixtrans-63.7-34.7175.1-67.6-175-174.2179.50.9112.4K18 A19 V25R15-K18 PolarHBondContact O-N 3.5Å; R15-A19 VanDerWaalsContact O-CB 3.27Å; R15-A19 WeakPolarHBondContact O-CB 3.47Å; R15-A19 PolarHBondContact O-N 2.77Å; R15-V25 HydrophobicContact CB-CB 4.19Å; R15-V25 HydrophobicContact CB-CG1 4.05Å
16S94.6Very high84.1Confident17 Ų17101.1 Ų101.112%0.11956%0.555CS.*Hα-helixtrans-62.3-49.8174.1-65.90000111.1S14 K18 A19 G20 V21 F23 P24 V25S14-S16 VanDerWaalsContact C-N 3.28Å; S14-S16 PolarHBondContact O-N 3.24Å; S14-S16 PolarHBondContact OG-N 2.72Å; S16-K18 VanDerWaalsContact C-N 3.32Å; S16-K18 PolarHBondContact O-N 2.89Å; S16-A19 CarbonylContact O-C 3.5Å; S16-A19 PolarHBondContact O-N 3.01Å; S16-G20 PolarHBondContact O-N 2.81Å; S16-V21 WeakPolarHBondContact CB-O 3.17Å; S16-V21 PolarHBondContact O-N 3.12Å; S16-F23 PolarHBondContact OG-O 3.32Å; S16-P24 WeakPolarHBondContact OG-CA 3.14Å; S16-V25 PolarHBondContact OG-N 3.07Å
17T94.4Very high86.1Confident101 Ų101103.9 Ų103.962%0.6254%0.542SS*.Hα-helixtrans-59.8-41.6177.4-48.30000111.9S14 A19 G20S14-T17 PolarHBondContact O-N 3.16Å; S14-T17 WeakPolarHBondContact OG-CB 3.44Å; S14-T17 PolarHBondContact OG-N 3.27Å; S14-T17 PolarHBondContact OG-OG1 3.33Å; T17-A19 VanDerWaalsContact C-N 3.3Å; T17-A19 PolarHBondContact O-N 3.37Å; T17-G20 PolarHBondContact O-N 3.2Å
18K92.4Very high87.7Confident162 Ų16295 Ų9570%0.70450%0.504SS*.Hα-helixtrans-66-32.1175.7-72.7-170.8-177.8-163.60113.3T13 S14 R15 S16T13-K18 WeakPolarHBondContact OG1-CE 3.4Å; S14-K18 WeakPolarHBondContact O-CG 3.5Å; S14-K18 PolarHBondContact O-N 2.92Å; R15-K18 PolarHBondContact O-N 3.5Å; S16-K18 VanDerWaalsContact C-N 3.32Å; S16-K18 PolarHBondContact O-N 2.89Å
19A92.4Very high89.3Confident42 Ų4286.9 Ų86.935%0.34747%0.47SS..Hα-helixtrans-88-6.4-179.500000113.5R15 S16 T17 V21 V47R15-A19 VanDerWaalsContact O-CB 3.27Å; R15-A19 WeakPolarHBondContact O-CB 3.47Å; R15-A19 PolarHBondContact O-N 2.77Å; S16-A19 CarbonylContact O-C 3.5Å; S16-A19 PolarHBondContact O-N 3.01Å; T17-A19 VanDerWaalsContact C-N 3.3Å; T17-A19 PolarHBondContact O-N 3.37Å; A19-V21 VanDerWaalsContact C-N 3.32Å; A19-V21 HydrophobicContact CB-CG2 4.13Å; A19-V21 PolarHBondContact O-N 2.91Å; A19-V47 HydrophobicContact CB-CG1 3.74Å; A19-V47 HydrophobicContact CB-CG2 4.47Å
20G94.4Very high90.9Very high67 Ų6784.3 Ų84.369%0.69145%0.454SS*.THydrogen-bonded Turntrans71.621.7-179.400000114.7S16 T17S16-G20 PolarHBondContact O-N 2.81Å; T17-G20 PolarHBondContact O-N 3.2Å
21V95Very high92.4Very high21 Ų2184.4 Ų84.413%0.12744%0.442CS..  trans-112.4144.2179.5-63.10000111S16 A19 V25 A50 A51 E54S16-V21 WeakPolarHBondContact CB-O 3.17Å; S16-V21 PolarHBondContact O-N 3.12Å; A19-V21 VanDerWaalsContact C-N 3.32Å; A19-V21 HydrophobicContact CB-CG2 4.13Å; A19-V21 PolarHBondContact O-N 2.91Å; V21-V25 HydrophobicContact CG2-CG2 3.59Å; V21-A50 HydrophobicContact CG2-CB 4.25Å; V21-A51 HydrophobicContact CG1-CB 4.22Å; V21-E54 WeakPolarHBondContact CB-OE2 3.32Å
22I95.1Very high93.4Very high150 Ų15079.3 Ų79.377%0.76941%0.409SS*.SBendtrans-72-37.5173-60.7177000110.2E54I22-E54 WeakPolarHBondContact CA-OE2 3.38Å; I22-E54 WeakPolarHBondContact CB-OE2 3.14Å; I22-E54 VanDerWaalsContact N-CD 3.31Å; I22-E54 PolarHBondContact N-OE1 3Å; I22-E54 VanDerWaalsContact N-OE1 3.09Å; I22-E54 PolarHBondContact N-OE2 3.47Å
23F95.4Very high94.1Very high54 Ų5475.2 Ų75.224%0.23739%0.391CS..SBendtrans-66.2143.3-175.1-88.141.1000111.8S16 V25 M28 A50 L53 E54 T57S16-F23 PolarHBondContact OG-O 3.32Å; F23-V25 PolarHBondContact O-N 3.38Å; F23-M28 HydrophobicContact CB-CE 4.44Å; F23-M28 HydrophobicContact CD2-CE 3.64Å; F23-M28 HydrophobicContact CE2-CE 4.43Å; F23-M28 HydrophobicContact CG-CE 4.5Å; F23-A50 HydrophobicContact CB-CB 4.05Å; F23-L53 HydrophobicContact CD2-CB 3.84Å; F23-L53 HydrophobicContact CE2-CB 3.78Å; F23-E54 HydrophobicContact CB-CB 4.46Å; F23-E54 WeakPolarHBondContact CB-OE2 3.46Å; F23-E54 HydrophobicContact CD1-CB 4Å; F23-E54 HydrophobicContact CD1-CG 4.1Å; F23-E54 WeakPolarHBondContact CD1-OE2 3.35Å; F23-E54 HydrophobicContact CE1-CB 4.4Å; F23-E54 HydrophobicContact CE1-CG 4.47Å; F23-E54 HydrophobicContact CG-CB 4.09Å; F23-E54 PolarHBondContact N-OE2 3.11Å; F23-T57 HydrophobicContact CZ-CG2 4.1Å; F23-T57 WeakPolarHBondContact CZ-OG1 3.48Å
24P96.1Very high94.5Very high38 Ų3881.7 Ų81.725%0.24741%0.407CS..  trans-79.391.1-170.430.5-35.4000112.3S16 G26 R27 M28S16-P24 WeakPolarHBondContact OG-CA 3.14Å; P24-G26 VanDerWaalsContact C-N 3.26Å; P24-G26 PolarHBondContact O-N 3.16Å; P24-R27 HydrophobicContact CB-CB 3.88Å; P24-R27 HydrophobicContact CG-CB 3.91Å; P24-R27 WeakPolarHBondContact O-CA 3.48Å; P24-R27 WeakPolarHBondContact O-CB 3.3Å; P24-R27 PolarHBondContact O-N 3.36Å; P24-M28 PolarHBondContact O-N 2.88Å
25V96.7Very high94.6Very high1 Ų181.8 Ų81.81%0.00642%0.417CS..Hα-helixtrans-52.2-41.6-179.9175.50000112.3R15 S16 V21 F23 R27 M28 L29 P46 V47 A50R15-V25 HydrophobicContact CB-CB 4.19Å; R15-V25 HydrophobicContact CB-CG1 4.05Å; S16-V25 PolarHBondContact OG-N 3.07Å; V21-V25 HydrophobicContact CG2-CG2 3.59Å; F23-V25 PolarHBondContact O-N 3.38Å; V25-R27 VanDerWaalsContact C-N 3.31Å; V25-R27 PolarHBondContact O-N 3.25Å; V25-M28 PolarHBondContact O-N 3.31Å; V25-L29 PolarHBondContact O-N 2.88Å; V25-P46 HydrophobicContact CG1-CB 3.97Å; V25-P46 HydrophobicContact CG1-CG 4.09Å; V25-V47 HydrophobicContact CG1-CG2 3.76Å; V25-V47 HydrophobicContact CG2-CG2 4.48Å; V25-A50 HydrophobicContact CG2-CB 3.9Å
26G94.6Very high94.8Very high48 Ų4879.2 Ų79.250%0.49541%0.413SS..Hα-helixtrans-63.4-36178.500000113.2P24 R30P24-G26 VanDerWaalsContact C-N 3.26Å; P24-G26 PolarHBondContact O-N 3.16Å; G26-R30 PolarHBondContact O-N 2.96Å
27R95.6Very high94.6Very high132 Ų13283.4 Ų83.450%0.49844%0.44SS..Hα-helixtrans-72-41.7176.5-169.2-175.2-60.3154.43110.7P24 V25 L29 R30 Y31P24-R27 HydrophobicContact CB-CB 3.88Å; P24-R27 HydrophobicContact CG-CB 3.91Å; P24-R27 WeakPolarHBondContact O-CA 3.48Å; P24-R27 WeakPolarHBondContact O-CB 3.3Å; P24-R27 PolarHBondContact O-N 3.36Å; V25-R27 VanDerWaalsContact C-N 3.31Å; V25-R27 PolarHBondContact O-N 3.25Å; R27-L29 VanDerWaalsContact C-N 3.34Å; R27-L29 PolarHBondContact O-N 3.41Å; R27-R30 WeakPolarHBondContact O-CB 3.36Å; R27-R30 PolarHBondContact O-N 3.16Å; R27-R30 VanDerWaalsContact O-N 3.16Å; R27-Y31 HydrophobicContact CG-CD2 4.36Å; R27-Y31 HydrophobicContact CG-CE1 4.41Å; R27-Y31 HydrophobicContact CG-CE2 3.81Å; R27-Y31 PolarHBondContact O-N 3.4Å
28M95.6Very high94.6Very high21 Ų2187.8 Ų87.810%0.10345%0.451CS..Hα-helixtrans-57.5-46.7174.6-62.7-51.8-168.900111.3F23 P24 V25 R30 Y31 I32 P46 A50 L53F23-M28 HydrophobicContact CB-CE 4.44Å; F23-M28 HydrophobicContact CD2-CE 3.64Å; F23-M28 HydrophobicContact CE2-CE 4.43Å; F23-M28 HydrophobicContact CG-CE 4.5Å; P24-M28 PolarHBondContact O-N 2.88Å; V25-M28 PolarHBondContact O-N 3.31Å; M28-R30 VanDerWaalsContact C-N 3.27Å; M28-R30 PolarHBondContact O-N 2.76Å; M28-Y31 PolarHBondContact O-N 2.63Å; M28-Y31 VanDerWaalsContact O-N 3.09Å; M28-I32 VanDerWaalsContact O-CG1 3.28Å; M28-I32 WeakPolarHBondContact O-CG1 3.35Å; M28-I32 PolarHBondContact O-N 3.38Å; M28-P46 HydrophobicContact CB-CB 4.17Å; M28-A50 HydrophobicContact CG-CB 4.15Å; M28-L53 HydrophobicContact CE-CB 4.49Å; M28-L53 HydrophobicContact CE-CD1 3.42Å; M28-L53 VanDerWaalsContact CE-CD1 3.42Å; M28-L53 HydrophobicContact SD-CD1 4.1Å
29L95.4Very high94.6Very high25 Ų2588 Ų8813%0.13145%0.448CS..Hα-helixtrans-57.1-42177.1-17956.6000112.4V25 R27 Y31 K33 I41 P46V25-L29 PolarHBondContact O-N 2.88Å; R27-L29 VanDerWaalsContact C-N 3.34Å; R27-L29 PolarHBondContact O-N 3.41Å; L29-Y31 VanDerWaalsContact C-N 3.35Å; L29-K33 HydrophobicContact CD1-CD 4.36Å; L29-K33 HydrophobicContact CD1-CG 4.22Å; L29-K33 HydrophobicContact CG-CD 4.44Å; L29-K33 WeakPolarHBondContact O-CB 3.11Å; L29-K33 WeakPolarHBondContact O-CG 3.06Å; L29-K33 PolarHBondContact O-N 3.25Å; L29-I41 HydrophobicContact CD1-CB 4.33Å; L29-I41 HydrophobicContact CD1-CG2 3.78Å; L29-P46 HydrophobicContact CB-CB 3.68Å; L29-P46 HydrophobicContact CB-CG 3.93Å; L29-P46 HydrophobicContact CD1-CB 4.39Å; L29-P46 HydrophobicContact CD1-CG 4.01Å; L29-P46 HydrophobicContact CG-CG 4.37Å
30R95.3Very high94.7Very high154 Ų15498 Ų9858%0.58148%0.477SS*.Hα-helixtrans-63.4-41.7177.7-174.2179.464.2-173.73.3111.5G26 R27 M28 R34G26-R30 PolarHBondContact O-N 2.96Å; R27-R30 WeakPolarHBondContact O-CB 3.36Å; R27-R30 PolarHBondContact O-N 3.16Å; R27-R30 VanDerWaalsContact O-N 3.16Å; M28-R30 VanDerWaalsContact C-N 3.27Å; M28-R30 PolarHBondContact O-N 2.76Å; R30-R34 WeakPolarHBondContact O-CB 3.49Å; R30-R34 PolarHBondContact O-N 3Å; R30-R34 VanDerWaalsContact O-N 3.1Å
31Y95.9Very high94.7Very high125 Ų12596.5 Ų96.549%0.4945%0.453SS..Hα-helixtrans-68.5-43.6177.6-66.4-20.3000112.6R27 M28 L29 K33 R34 G35R27-Y31 HydrophobicContact CG-CD2 4.36Å; R27-Y31 HydrophobicContact CG-CE1 4.41Å; R27-Y31 HydrophobicContact CG-CE2 3.81Å; R27-Y31 PolarHBondContact O-N 3.4Å; M28-Y31 PolarHBondContact O-N 2.63Å; M28-Y31 VanDerWaalsContact O-N 3.09Å; L29-Y31 VanDerWaalsContact C-N 3.35Å; Y31-K33 VanDerWaalsContact C-N 3.35Å; Y31-K33 PolarHBondContact O-N 3.2Å; Y31-R34 PolarHBondContact O-N 3.39Å; Y31-G35 PolarHBondContact O-N 3.34Å
32I94.6Very high94.7Very high24 Ų2497.8 Ų97.812%0.12347%0.47CS..Hα-helixtrans-59.4-47.3176-63166000110.2M28 R34 G35 L36 I41 P46 L49M28-I32 VanDerWaalsContact O-CG1 3.28Å; M28-I32 WeakPolarHBondContact O-CG1 3.35Å; M28-I32 PolarHBondContact O-N 3.38Å; I32-R34 VanDerWaalsContact C-N 3.3Å; I32-R34 PolarHBondContact O-N 2.98Å; I32-G35 PolarHBondContact O-N 3.38Å; I32-L36 HydrophobicContact CG2-CD1 4.2Å; I32-L36 WeakPolarHBondContact O-CB 3.1Å; I32-L36 PolarHBondContact O-N 2.84Å; I32-I41 HydrophobicContact CG2-CD1 3.66Å; I32-I41 HydrophobicContact CG2-CG1 3.88Å; I32-I41 HydrophobicContact CG2-CG2 3.84Å; I32-P46 HydrophobicContact CD1-CB 4.14Å; I32-L49 HydrophobicContact CD1-CB 4.29Å; I32-L49 HydrophobicContact CD1-CD2 3.69Å; I32-L49 HydrophobicContact CG1-CD2 3.73Å
33K94.4Very high94.4Very high122 Ų12296.6 Ų96.653%0.5347%0.469SS..Hα-helixtrans-61.7-36.7178.1-76.5-174.6174.4-166.50113.2L29 Y31 I41L29-K33 HydrophobicContact CD1-CD 4.36Å; L29-K33 HydrophobicContact CD1-CG 4.22Å; L29-K33 HydrophobicContact CG-CD 4.44Å; L29-K33 WeakPolarHBondContact O-CB 3.11Å; L29-K33 WeakPolarHBondContact O-CG 3.06Å; L29-K33 PolarHBondContact O-N 3.25Å; Y31-K33 VanDerWaalsContact C-N 3.35Å; Y31-K33 PolarHBondContact O-N 3.2Å; K33-I41 HydrophobicContact CG-CB 4.5Å; K33-I41 HydrophobicContact CG-CG1 4.07Å
34R95.5Very high94.4Very high215 Ų21596 Ų9681%0.81148%0.479SS*.Hα-helixtrans-70.5-39.4177-175.7178.6174.8-177.6-1.2111.9R30 Y31 I32R30-R34 WeakPolarHBondContact O-CB 3.49Å; R30-R34 PolarHBondContact O-N 3Å; R30-R34 VanDerWaalsContact O-N 3.1Å; Y31-R34 PolarHBondContact O-N 3.39Å; I32-R34 VanDerWaalsContact C-N 3.3Å; I32-R34 PolarHBondContact O-N 2.98Å
35G93.9Very high94.3Very high58 Ų5896.3 Ų96.360%0.59849%0.485SS*.Hα-helixtrans-78.7-27.8-179.600000114.1Y31 I32 P37Y31-G35 PolarHBondContact O-N 3.34Å; I32-G35 PolarHBondContact O-N 3.38Å; G35-P37 VanDerWaalsContact C-CD 3.41Å; G35-P37 WeakPolarHBondContact O-CD 3.4Å
36L92.8Very high94.3Very high86 Ų8696.3 Ų96.345%0.4548%0.484SS..  trans-126.160.3-175.1-61.5176.7000111.7I32 K38 Y39 I41I32-L36 HydrophobicContact CG2-CD1 4.2Å; I32-L36 WeakPolarHBondContact O-CB 3.1Å; I32-L36 PolarHBondContact O-N 2.84Å; L36-K38 PolarHBondContact O-N 2.98Å; L36-K38 VanDerWaalsContact O-N 3.14Å; L36-Y39 HydrophobicContact CB-CD2 4.21Å; L36-Y39 HydrophobicContact CD2-CD2 4.41Å; L36-Y39 PolarHBondContact O-N 3.47Å; L36-I41 HydrophobicContact CB-CD1 4.33Å
37P90.8Very high94.4Very high106 Ų10696.2 Ų96.269%0.68847%0.474SS*.THydrogen-bonded Turntrans-65.1-21.8-173.627.4-35.8000113.4G35 Y39G35-P37 VanDerWaalsContact C-CD 3.41Å; G35-P37 WeakPolarHBondContact O-CD 3.4Å; P37-Y39 VanDerWaalsContact C-N 3.33Å
38K94.6Very high94.5Very high193 Ų19398.1 Ų98.184%0.83948%0.483SS*.THydrogen-bonded Turntrans-77.2-16.7-179.1-61.8-177.4-179.6-179.60113.6L36L36-K38 PolarHBondContact O-N 2.98Å; L36-K38 VanDerWaalsContact O-N 3.14Å
39Y93.2Very high94.5Very high166 Ų166100.2 Ų100.265%0.65149%0.494SS*.SBendtrans-109.7141.3-172.7-65.2-79.9000112.1L36 P37 I41L36-Y39 HydrophobicContact CB-CD2 4.21Å; L36-Y39 HydrophobicContact CD2-CD2 4.41Å; L36-Y39 PolarHBondContact O-N 3.47Å; P37-Y39 VanDerWaalsContact C-N 3.33Å; Y39-I41 PolarHBondContact O-N 3.41Å
40R93.9Very high94.5Very high253 Ų25399 Ų9996%0.95549%0.488SS*.  trans-76.9114169.1-171176.8-179.7120.9-3.6109.2
41I94.5Very high94.6Very high35 Ų3593.7 Ų93.718%0.17948%0.477CS..  trans-86.4118.8-176.6-49.9-54.5000110.7L29 I32 K33 L36 Y39 A45L29-I41 HydrophobicContact CD1-CB 4.33Å; L29-I41 HydrophobicContact CD1-CG2 3.78Å; I32-I41 HydrophobicContact CG2-CD1 3.66Å; I32-I41 HydrophobicContact CG2-CG1 3.88Å; I32-I41 HydrophobicContact CG2-CG2 3.84Å; K33-I41 HydrophobicContact CG-CB 4.5Å; K33-I41 HydrophobicContact CG-CG1 4.07Å; L36-I41 HydrophobicContact CB-CD1 4.33Å; Y39-I41 PolarHBondContact O-N 3.41Å; I41-A45 HydrophobicContact CG2-CB 3.83Å
42G94.1Very high94.6Very high47 Ų4790.2 Ų90.249%0.48547%0.468SS..  trans-66.715717400000113G44 A45 P46G42-G44 VanDerWaalsContact C-N 3.25Å; G42-G44 PolarHBondContact O-N 3.28Å; G42-A45 PolarHBondContact O-N 2.73Å; G42-P46 WeakPolarHBondContact O-CD 3.33Å
43V89.6Confident94.6Very high125 Ų12592 Ų9276%0.75848%0.478SS*.THydrogen-bonded Turntrans-66.5-25.1-176.9-65.30000113.8P46V43-P46 WeakPolarHBondContact O-CD 3.32Å; V43-P46 WeakPolarHBondContact O-CG 3.21Å
44G94.5Very high94.7Very high43 Ų4388 Ų8844%0.44346%0.461SS..THydrogen-bonded Turntrans-81.2-25.617800000114.5G42 V47 Y48G42-G44 VanDerWaalsContact C-N 3.25Å; G42-G44 PolarHBondContact O-N 3.28Å; G44-V47 WeakPolarHBondContact O-CA 3.38Å; G44-V47 WeakPolarHBondContact O-CB 3.16Å; G44-V47 PolarHBondContact O-N 3.4Å; G44-Y48 PolarHBondContact O-N 3.19Å
45A95.9Very high94.6Very high44 Ų4482.9 Ų82.936%0.36444%0.442SS..Hα-helixtrans-54.2-48.2-179.300000114.4I41 G42 V47 Y48 L49I41-A45 HydrophobicContact CG2-CB 3.83Å; G42-A45 PolarHBondContact O-N 2.73Å; A45-V47 VanDerWaalsContact C-N 3.26Å; A45-V47 PolarHBondContact O-N 3.07Å; A45-Y48 PolarHBondContact O-N 2.64Å; A45-L49 PolarHBondContact O-N 2.88Å
46P96.6Very high94.6Very high0 Ų082.7 Ų82.70%043%0.427CS..Hα-helixtrans-70.4-21.7177.330.9-40000113.8V25 M28 L29 I32 G42 V43 A50V25-P46 HydrophobicContact CG1-CB 3.97Å; V25-P46 HydrophobicContact CG1-CG 4.09Å; M28-P46 HydrophobicContact CB-CB 4.17Å; L29-P46 HydrophobicContact CB-CB 3.68Å; L29-P46 HydrophobicContact CB-CG 3.93Å; L29-P46 HydrophobicContact CD1-CB 4.39Å; L29-P46 HydrophobicContact CD1-CG 4.01Å; L29-P46 HydrophobicContact CG-CG 4.37Å; I32-P46 HydrophobicContact CD1-CB 4.14Å; G42-P46 WeakPolarHBondContact O-CD 3.33Å; V43-P46 WeakPolarHBondContact O-CD 3.32Å; V43-P46 WeakPolarHBondContact O-CG 3.21Å; P46-A50 VanDerWaalsContact O-CB 3.26Å; P46-A50 WeakPolarHBondContact O-CB 3.3Å; P46-A50 PolarHBondContact O-N 2.72Å; P46-A50 VanDerWaalsContact O-N 3.17Å
47V96.4Very high94.8Very high46 Ų4681 Ų8128%0.27942%0.421SS..Hα-helixtrans-74-48.4175.21790000109.1A19 V25 G44 A45 L49 A50 A51A19-V47 HydrophobicContact CB-CG1 3.74Å; A19-V47 HydrophobicContact CB-CG2 4.47Å; V25-V47 HydrophobicContact CG1-CG2 3.76Å; V25-V47 HydrophobicContact CG2-CG2 4.48Å; G44-V47 WeakPolarHBondContact O-CA 3.38Å; G44-V47 WeakPolarHBondContact O-CB 3.16Å; G44-V47 PolarHBondContact O-N 3.4Å; A45-V47 VanDerWaalsContact C-N 3.26Å; A45-V47 PolarHBondContact O-N 3.07Å; V47-L49 PolarHBondContact O-N 2.94Å; V47-A50 PolarHBondContact O-N 3.07Å; V47-A51 WeakPolarHBondContact O-CB 3.44Å; V47-A51 PolarHBondContact O-N 3.24Å
48Y96.8Very high95Very high173 Ų17378.6 Ų78.668%0.67841%0.41SS*.Hα-helixtrans-58.9-48.4176.8-173.5-98.6000111.7G44 A45 A50 A51 V52G44-Y48 PolarHBondContact O-N 3.19Å; A45-Y48 PolarHBondContact O-N 2.64Å; Y48-A50 VanDerWaalsContact C-N 3.32Å; Y48-A50 PolarHBondContact O-N 2.97Å; Y48-A51 PolarHBondContact O-N 2.86Å; Y48-V52 HydrophobicContact CD1-CG2 4.13Å; Y48-V52 HydrophobicContact CE1-CG2 3.76Å; Y48-V52 HydrophobicContact CE2-CG2 4.34Å; Y48-V52 WeakPolarHBondContact O-CG2 3.46Å; Y48-V52 PolarHBondContact O-N 3.28Å
49L95.7Very high94.9Very high64 Ų6470.8 Ų70.834%0.33538%0.376SS..Hα-helixtrans-62-39.6177.8-175.763.4000112.3I32 A45 V47 L53I32-L49 HydrophobicContact CD1-CB 4.29Å; I32-L49 HydrophobicContact CD1-CD2 3.69Å; I32-L49 HydrophobicContact CG1-CD2 3.73Å; A45-L49 PolarHBondContact O-N 2.88Å; V47-L49 PolarHBondContact O-N 2.94Å; L49-L53 HydrophobicContact CD1-CD1 4.06Å; L49-L53 HydrophobicContact CD1-CG 4.18Å; L49-L53 HydrophobicContact CG-CD1 3.93Å; L49-L53 HydrophobicContact CG-CG 4.44Å; L49-L53 WeakPolarHBondContact O-CB 3.34Å; L49-L53 VanDerWaalsContact O-CG 3.28Å; L49-L53 WeakPolarHBondContact O-CG 3.32Å; L49-L53 PolarHBondContact O-N 3.1Å
50A96.6Very high95Very high0 Ų064.5 Ų64.50%035%0.354CS..Hα-helixtrans-63.4-44.4176.200000111.4V21 F23 V25 M28 P46 V47 Y48 L53 E54V21-A50 HydrophobicContact CG2-CB 4.25Å; F23-A50 HydrophobicContact CB-CB 4.05Å; V25-A50 HydrophobicContact CG2-CB 3.9Å; M28-A50 HydrophobicContact CG-CB 4.15Å; P46-A50 VanDerWaalsContact O-CB 3.26Å; P46-A50 WeakPolarHBondContact O-CB 3.3Å; P46-A50 PolarHBondContact O-N 2.72Å; P46-A50 VanDerWaalsContact O-N 3.17Å; V47-A50 PolarHBondContact O-N 3.07Å; Y48-A50 VanDerWaalsContact C-N 3.32Å; Y48-A50 PolarHBondContact O-N 2.97Å; A50-L53 PolarHBondContact O-N 3.27Å; A50-E54 VanDerWaalsContact O-CB 3.24Å; A50-E54 WeakPolarHBondContact O-CB 3.5Å; A50-E54 PolarHBondContact O-N 2.86Å
51A95.7Very high95.2Very high43 Ų4357 Ų5736%0.35533%0.332SS..Hα-helixtrans-63-45.5178.800000112.2V21 V47 Y48 E54 Y55V21-A51 HydrophobicContact CG1-CB 4.22Å; V47-A51 WeakPolarHBondContact O-CB 3.44Å; V47-A51 PolarHBondContact O-N 3.24Å; Y48-A51 PolarHBondContact O-N 2.86Å; A51-E54 PolarHBondContact O-N 3.49Å; A51-Y55 WeakPolarHBondContact O-CB 3.47Å; A51-Y55 PolarHBondContact O-N 3.34Å
52V95.9Very high95.2Very high52 Ų5259.8 Ų59.832%0.31534%0.344SS..Hα-helixtrans-64-44.3178.5173.40000111.4Y48 E54 Y55 L56Y48-V52 HydrophobicContact CD1-CG2 4.13Å; Y48-V52 HydrophobicContact CE1-CG2 3.76Å; Y48-V52 HydrophobicContact CE2-CG2 4.34Å; Y48-V52 WeakPolarHBondContact O-CG2 3.46Å; Y48-V52 PolarHBondContact O-N 3.28Å; V52-E54 VanDerWaalsContact C-N 3.32Å; V52-E54 PolarHBondContact O-N 2.91Å; V52-Y55 PolarHBondContact O-N 3.36Å; V52-L56 HydrophobicContact CG1-CD1 4.12Å; V52-L56 WeakPolarHBondContact O-CG 3.4Å; V52-L56 PolarHBondContact O-N 2.85Å
53L95.6Very high95.3Very high60 Ų6059.6 Ų59.631%0.31433%0.332SS..Hα-helixtrans-67.2-35.3178.3-71.4174.2000112.3F23 M28 L49 A50 T57F23-L53 HydrophobicContact CD2-CB 3.84Å; F23-L53 HydrophobicContact CE2-CB 3.78Å; M28-L53 HydrophobicContact CE-CB 4.49Å; M28-L53 HydrophobicContact CE-CD1 3.42Å; M28-L53 VanDerWaalsContact CE-CD1 3.42Å; M28-L53 HydrophobicContact SD-CD1 4.1Å; L49-L53 HydrophobicContact CD1-CD1 4.06Å; L49-L53 HydrophobicContact CD1-CG 4.18Å; L49-L53 HydrophobicContact CG-CD1 3.93Å; L49-L53 HydrophobicContact CG-CG 4.44Å; L49-L53 WeakPolarHBondContact O-CB 3.34Å; L49-L53 VanDerWaalsContact O-CG 3.28Å; L49-L53 WeakPolarHBondContact O-CG 3.32Å; L49-L53 PolarHBondContact O-N 3.1Å; A50-L53 PolarHBondContact O-N 3.27Å; L53-T57 VanDerWaalsContact O-CB 3.29Å; L53-T57 WeakPolarHBondContact O-CB 3.36Å; L53-T57 PolarHBondContact O-N 3.4Å; L53-T57 PolarHBondContact O-OG1 3.41Å
54E95.3Very high95.6Very high40 Ų4053.6 Ų53.619%0.18730%0.296CS..Hα-helixtrans-65.5-45.4175.1-174160.113600111.4V21 I22 F23 A50 A51 V52 T57 A58V21-E54 WeakPolarHBondContact CB-OE2 3.32Å; I22-E54 WeakPolarHBondContact CA-OE2 3.38Å; I22-E54 WeakPolarHBondContact CB-OE2 3.14Å; I22-E54 VanDerWaalsContact N-CD 3.31Å; I22-E54 PolarHBondContact N-OE1 3Å; I22-E54 VanDerWaalsContact N-OE1 3.09Å; I22-E54 PolarHBondContact N-OE2 3.47Å; F23-E54 HydrophobicContact CB-CB 4.46Å; F23-E54 WeakPolarHBondContact CB-OE2 3.46Å; F23-E54 HydrophobicContact CD1-CB 4Å; F23-E54 HydrophobicContact CD1-CG 4.1Å; F23-E54 WeakPolarHBondContact CD1-OE2 3.35Å; F23-E54 HydrophobicContact CE1-CB 4.4Å; F23-E54 HydrophobicContact CE1-CG 4.47Å; F23-E54 HydrophobicContact CG-CB 4.09Å; F23-E54 PolarHBondContact N-OE2 3.11Å; A50-E54 VanDerWaalsContact O-CB 3.24Å; A50-E54 WeakPolarHBondContact O-CB 3.5Å; A50-E54 PolarHBondContact O-N 2.86Å; A51-E54 PolarHBondContact O-N 3.49Å; V52-E54 VanDerWaalsContact C-N 3.32Å; V52-E54 PolarHBondContact O-N 2.91Å; E54-T57 PolarHBondContact O-N 3.21Å; E54-A58 WeakPolarHBondContact O-CB 3.34Å; E54-A58 PolarHBondContact O-N 2.71Å
55Y94.1Very high95.7Very high106 Ų10652.5 Ų52.542%0.41628%0.284SS..Hα-helixtrans-56.8-54.2174.2176.4-98.4000111.7A51 V52 T57 A58 E59A51-Y55 WeakPolarHBondContact O-CB 3.47Å; A51-Y55 PolarHBondContact O-N 3.34Å; V52-Y55 PolarHBondContact O-N 3.36Å; Y55-T57 VanDerWaalsContact C-N 3.26Å; Y55-T57 PolarHBondContact O-N 3.41Å; Y55-A58 WeakPolarHBondContact O-CB 3.43Å; Y55-A58 PolarHBondContact O-N 2.75Å; Y55-A58 VanDerWaalsContact O-N 3.13Å; Y55-E59 PolarHBondContact O-N 2.81Å
56L94.6Very high95.6Very high54 Ų5452.9 Ų52.928%0.28328%0.28SS..Hα-helixtrans-60.4-36.4179-70173.6000112.6V52 I60 L94V52-L56 HydrophobicContact CG1-CD1 4.12Å; V52-L56 WeakPolarHBondContact O-CG 3.4Å; V52-L56 PolarHBondContact O-N 2.85Å; L56-I60 VanDerWaalsContact O-CG1 3.31Å; L56-I60 WeakPolarHBondContact O-CG1 3.46Å; L56-I60 PolarHBondContact O-N 3.06Å; L56-L94 HydrophobicContact CD1-CD2 4.45Å; L56-L94 HydrophobicContact CD2-CD2 3.99Å
57T96Very high95.4Very high52 Ų5253.5 Ų53.532%0.31929%0.285SS..Hα-helixtrans-71.2-39.5178.2-560000111.3F23 L53 E54 Y55 L61F23-T57 HydrophobicContact CZ-CG2 4.1Å; F23-T57 WeakPolarHBondContact CZ-OG1 3.48Å; L53-T57 VanDerWaalsContact O-CB 3.29Å; L53-T57 WeakPolarHBondContact O-CB 3.36Å; L53-T57 PolarHBondContact O-N 3.4Å; L53-T57 PolarHBondContact O-OG1 3.41Å; E54-T57 PolarHBondContact O-N 3.21Å; Y55-T57 VanDerWaalsContact C-N 3.26Å; Y55-T57 PolarHBondContact O-N 3.41Å; T57-L61 HydrophobicContact CG2-CD1 3.85Å; T57-L61 HydrophobicContact CG2-CG 4.27Å; T57-L61 WeakPolarHBondContact O-CB 3.28Å; T57-L61 WeakPolarHBondContact O-CG 3.4Å; T57-L61 PolarHBondContact O-N 2.92Å
58A95Very high95.4Very high55 Ų5551.5 Ų51.546%0.45527%0.273SS..Hα-helixtrans-60.9-47.5176.800000110.9E54 Y55 I60 L61 E62E54-A58 WeakPolarHBondContact O-CB 3.34Å; E54-A58 PolarHBondContact O-N 2.71Å; Y55-A58 WeakPolarHBondContact O-CB 3.43Å; Y55-A58 PolarHBondContact O-N 2.75Å; Y55-A58 VanDerWaalsContact O-N 3.13Å; A58-I60 PolarHBondContact O-N 2.76Å; A58-L61 PolarHBondContact O-N 3.41Å; A58-L61 VanDerWaalsContact O-N 3.17Å; A58-E62 WeakPolarHBondContact O-CB 3.38Å; A58-E62 PolarHBondContact O-N 3.19Å
59E93.3Very high95.3Very high29 Ų2951.5 Ų51.514%0.13627%0.272CS..Hα-helixtrans-57.5-52.4178.3-168.860.5-13400111.9Y55 L61 E62 L63 L91Y55-E59 PolarHBondContact O-N 2.81Å; E59-L61 VanDerWaalsContact C-N 3.26Å; E59-L61 PolarHBondContact O-N 3.02Å; E59-E62 PolarHBondContact O-N 3.29Å; E59-L63 HydrophobicContact CG-CD1 4.45Å; E59-L63 WeakPolarHBondContact O-CG 3.24Å; E59-L63 PolarHBondContact O-N 3.38Å; E59-L91 HydrophobicContact CG-CD1 4.39Å
60I96.1Very high95Very high34 Ų3454.6 Ų54.617%0.17429%0.289CS..Hα-helixtrans-59.5-39.8178.4-68.1168.5000110.9L56 A58 A64 I81 I85 L91 L95L56-I60 VanDerWaalsContact O-CG1 3.31Å; L56-I60 WeakPolarHBondContact O-CG1 3.46Å; L56-I60 PolarHBondContact O-N 3.06Å; A58-I60 PolarHBondContact O-N 2.76Å; I60-A64 WeakPolarHBondContact O-CB 3.45Å; I60-A64 PolarHBondContact O-N 3.32Å; I60-I81 HydrophobicContact CG2-CG2 4Å; I60-I85 HydrophobicContact CG1-CG1 4.47Å; I60-I85 HydrophobicContact CG2-CD1 4.39Å; I60-I85 HydrophobicContact CG2-CG1 4.46Å; I60-L91 HydrophobicContact CD1-CD2 4.3Å; I60-L91 HydrophobicContact CG1-CD1 3.88Å; I60-L91 HydrophobicContact CG1-CD2 3.93Å; I60-L95 HydrophobicContact CD1-CD1 4.22Å
61L96.7Very high94.7Very high94 Ų9458.3 Ų58.349%0.49231%0.309SS..Hα-helixtrans-72.5-34.9-179.3-74177000112.9T57 A58 E59 G65T57-L61 HydrophobicContact CG2-CD1 3.85Å; T57-L61 HydrophobicContact CG2-CG 4.27Å; T57-L61 WeakPolarHBondContact O-CB 3.28Å; T57-L61 WeakPolarHBondContact O-CG 3.4Å; T57-L61 PolarHBondContact O-N 2.92Å; A58-L61 PolarHBondContact O-N 3.41Å; A58-L61 VanDerWaalsContact O-N 3.17Å; E59-L61 VanDerWaalsContact C-N 3.26Å; E59-L61 PolarHBondContact O-N 3.02Å; L61-G65 PolarHBondContact O-N 2.82Å
62E94.8Very high94.7Very high94 Ų9465.4 Ų65.444%0.43933%0.332SS..Hα-helixtrans-63.8-53.2174.9176.8161.7-173.800110.7A58 E59 A64 G65 N66A58-E62 WeakPolarHBondContact O-CB 3.38Å; A58-E62 PolarHBondContact O-N 3.19Å; E59-E62 PolarHBondContact O-N 3.29Å; E62-A64 VanDerWaalsContact C-N 3.35Å; E62-A64 PolarHBondContact O-N 2.89Å; E62-G65 WeakPolarHBondContact O-CA 3.36Å; E62-G65 PolarHBondContact O-N 2.97Å; E62-G65 VanDerWaalsContact O-N 3.09Å; E62-N66 PolarHBondContact O-N 2.84Å
63L95.8Very high94.6Very high43 Ų4369.1 Ų69.123%0.22534%0.343CS..Hα-helixtrans-62.2-41.5177.8-64.5177.8000111.8E59 G65 N66 A67 A84 D88 L91E59-L63 HydrophobicContact CG-CD1 4.45Å; E59-L63 WeakPolarHBondContact O-CG 3.24Å; E59-L63 PolarHBondContact O-N 3.38Å; L63-G65 VanDerWaalsContact C-N 3.29Å; L63-G65 PolarHBondContact O-N 3.19Å; L63-N66 WeakPolarHBondContact O-CB 3.31Å; L63-N66 PolarHBondContact O-N 2.84Å; L63-A67 PolarHBondContact O-N 2.95Å; L63-A84 HydrophobicContact CB-CB 3.63Å; L63-D88 HydrophobicContact CD1-CB 4.06Å; L63-L91 HydrophobicContact CD1-CD1 3.69Å
64A96.9Very high94.5Very high0 Ų071 Ų710%038%0.377CS..Hα-helixtrans-68-30.8175.800000112.2I60 E62 A68 V76 H80 I81 A84I60-A64 WeakPolarHBondContact O-CB 3.45Å; I60-A64 PolarHBondContact O-N 3.32Å; E62-A64 VanDerWaalsContact C-N 3.35Å; E62-A64 PolarHBondContact O-N 2.89Å; A64-A68 WeakPolarHBondContact O-CB 3.15Å; A64-A68 PolarHBondContact O-N 3.48Å; A64-V76 HydrophobicContact CB-CG1 3.83Å; A64-H80 HydrophobicContact CB-CB 4.36Å; A64-H80 WeakPolarHBondContact O-CB 3.5Å; A64-I81 HydrophobicContact CB-CG1 4.01Å; A64-A84 HydrophobicContact CB-CB 4.03Å
65G97.1Very high94.6Very high19 Ų1978.5 Ų78.520%0.19640%0.404CS..Hα-helixtrans-65.2-4217200000112L61 E62 L63 A68 R69L61-G65 PolarHBondContact O-N 2.82Å; E62-G65 WeakPolarHBondContact O-CA 3.36Å; E62-G65 PolarHBondContact O-N 2.97Å; E62-G65 VanDerWaalsContact O-N 3.09Å; L63-G65 VanDerWaalsContact C-N 3.29Å; L63-G65 PolarHBondContact O-N 3.19Å; G65-A68 PolarHBondContact O-N 2.89Å; G65-R69 WeakPolarHBondContact O-CG 3.28Å; G65-R69 PolarHBondContact O-N 3.04Å
66N92.6Very high94.7Very high53 Ų5376.3 Ų76.328%0.28340%0.401SS..Hα-helixtrans-61.2-51.7173-64.6-20.1000110.8E62 L63 A68 R69 D70E62-N66 PolarHBondContact O-N 2.84Å; L63-N66 WeakPolarHBondContact O-CB 3.31Å; L63-N66 PolarHBondContact O-N 2.84Å; N66-A68 PolarHBondContact O-N 3.07Å; N66-R69 WeakPolarHBondContact O-CB 3.38Å; N66-R69 PolarHBondContact O-N 3.44Å; N66-R69 PolarHBondContact OD1-NH2 2.79Å; N66-D70 VanDerWaalsContact O-CG 3.31Å; N66-D70 PolarHBondContact O-N 3.34Å
67A92.6Very high94.8Very high13 Ų1376.1 Ų76.111%0.10740%0.402CS..Hα-helixtrans-58.8-34.7177.100000113.1L63 N71 H80 L83L63-A67 PolarHBondContact O-N 2.95Å; A67-N71 WeakPolarHBondContact O-CB 3.24Å; A67-N71 PolarHBondContact O-N 3.48Å; A67-N71 PolarHBondContact O-ND2 2.9Å; A67-H80 HydrophobicContact CB-CB 4.2Å; A67-L83 HydrophobicContact CB-CB 4.32Å
68A96.4Very high94.8Very high3 Ų376.3 Ų76.33%0.02540%0.404CS..Hα-helixtrans-67.1-44.1174.200000112.1A64 G65 N66 N71 K72 K73 V76 H80A64-A68 WeakPolarHBondContact O-CB 3.15Å; A64-A68 PolarHBondContact O-N 3.48Å; G65-A68 PolarHBondContact O-N 2.89Å; N66-A68 PolarHBondContact O-N 3.07Å; A68-N71 CarbonylContact O-C 3.57Å; A68-N71 PolarHBondContact O-N 2.79Å; A68-K72 PolarHBondContact O-N 3.11Å; A68-K73 CarbonylContact C-O 3.52Å; A68-K73 PolarHBondContact O-N 3.13Å; A68-K73 VanDerWaalsContact O-O 3.09Å; A68-V76 HydrophobicContact CB-CG2 4.26Å; A68-H80 HydrophobicContact CB-CB 4.39Å; A68-H80 VanDerWaalsContact CB-ND1 3.35Å; A68-H80 WeakPolarHBondContact CB-ND1 3.34Å
69R94.3Very high94.8Very high174 Ų17476.6 Ų76.666%0.65739%0.394SS*.Hα-helixtrans-62.3-43.2176.8-76.8-171.1-75.9-168.9-4.6112G65 N66 N71 K72G65-R69 WeakPolarHBondContact O-CG 3.28Å; G65-R69 PolarHBondContact O-N 3.04Å; N66-R69 WeakPolarHBondContact O-CB 3.38Å; N66-R69 PolarHBondContact O-N 3.44Å; N66-R69 PolarHBondContact OD1-NH2 2.79Å; R69-N71 VanDerWaalsContact C-N 3.26Å; R69-N71 PolarHBondContact O-N 3.47Å; R69-K72 WeakPolarHBondContact O-CA 3.43Å; R69-K72 PolarHBondContact O-N 3.39Å
70D90.8Very high94.9Very high128 Ų12875.5 Ų75.568%0.68439%0.388SS*.Hα-helixtrans-62-37177.8-65.1-21000111.6N66 K72N66-D70 VanDerWaalsContact O-CG 3.31Å; N66-D70 PolarHBondContact O-N 3.34Å; D70-K72 PolarHBondContact O-N 3.4Å
71N90Very high94.9Very high78 Ų7876.2 Ų76.242%0.41739%0.392SS..THydrogen-bonded Turntrans-78.97.8172.9-69.7-23.5000113.9A67 A68 R69 K73 H80A67-N71 WeakPolarHBondContact O-CB 3.24Å; A67-N71 PolarHBondContact O-N 3.48Å; A67-N71 PolarHBondContact O-ND2 2.9Å; A68-N71 CarbonylContact O-C 3.57Å; A68-N71 PolarHBondContact O-N 2.79Å; R69-N71 VanDerWaalsContact C-N 3.26Å; R69-N71 PolarHBondContact O-N 3.47Å; N71-K73 HydrophobicContact CB-CG 4.3Å; N71-K73 PolarHBondContact O-N 3.47Å; N71-H80 PolarHBondContact ND2-CD2 3.13Å; N71-H80 VanDerWaalsContact ND2-CD2 3.26Å; N71-H80 PolarHBondContact ND2-NE2 3.21Å
72K94.9Very high94.8Very high193 Ų19373.3 Ų73.384%0.83938%0.377SS*.THydrogen-bonded Turntrans54.838.1-178.1-53.7179.9-177.9-179.20112.5A68 R69 D70A68-K72 PolarHBondContact O-N 3.11Å; R69-K72 WeakPolarHBondContact O-CA 3.43Å; R69-K72 PolarHBondContact O-N 3.39Å; D70-K72 PolarHBondContact O-N 3.4Å
73K94.5Very high94.7Very high129 Ų12969.8 Ų69.856%0.56136%0.361SS*.  trans-114132.3176.6-61.7-59.4-177.1179.90110.1A68 N71 R75A68-K73 CarbonylContact C-O 3.52Å; A68-K73 PolarHBondContact O-N 3.13Å; A68-K73 VanDerWaalsContact O-O 3.09Å; N71-K73 HydrophobicContact CB-CG 4.3Å; N71-K73 PolarHBondContact O-N 3.47Å; K73-R75 VanDerWaalsContact C-N 3.28Å; K73-R75 PolarHBondContact O-N 2.91Å
74G92.8Very high94.7Very high99 Ų9968.1 Ų68.1100%1.02135%0.354SS*.SBendtrans-82.20.1172.900000114.6
75R96.9Very high94.6Very high199 Ų19968.8 Ų68.875%0.75136%0.357SS*.SBendtrans-123.5128-178.7-175.8-179.9-66.7-179.50.1110.1K73 H80K73-R75 VanDerWaalsContact C-N 3.28Å; K73-R75 PolarHBondContact O-N 2.91Å; R75-H80 PolarHBondContact O-CE1 2.91Å; R75-H80 PolarHBondContact O-ND1 3.28Å
76V96.4Very high94.2Very high59 Ų5968.8 Ų68.836%0.35836%0.355SS..  trans-69130.1169.4179.80000109A64 A68 H80 I81A64-V76 HydrophobicContact CB-CG1 3.83Å; A68-V76 HydrophobicContact CB-CG2 4.26Å; V76-H80 HydrophobicContact CG1-CB 4.29Å; V76-I81 HydrophobicContact CG1-CD1 4.39Å; V76-I81 HydrophobicContact CG1-CG1 3.98Å
77T96.1Very high94Very high50 Ų5072.6 Ų72.631%0.30738%0.375SS..  trans-122.7163.717964.70000108.8R79 H80 I81T77-R79 PolarHBondContact O-N 3.49Å; T77-H80 PolarHBondContact N-ND1 3.21Å; T77-H80 VanDerWaalsContact N-ND1 3.15Å; T77-H80 WeakPolarHBondContact O-CB 3.37Å; T77-H80 PolarHBondContact O-N 3.09Å; T77-H80 PolarHBondContact OG1-CE1 3.35Å; T77-H80 PolarHBondContact OG1-ND1 3.44Å; T77-I81 PolarHBondContact O-N 3.13Å
78P96.8Very high94Very high56 Ų5673.6 Ų73.636%0.36438%0.379SS..Hα-helixtrans-54.8-28.8176.5-27.236000113.6I81 L82 I100 A101 A102P78-I81 PolarHBondContact O-N 3.35Å; P78-L82 PolarHBondContact O-N 2.86Å; P78-I100 HydrophobicContact CB-CG2 4.28Å; P78-A101 VanDerWaalsContact CB-O 3.25Å; P78-A101 WeakPolarHBondContact CB-O 3.35Å; P78-A102 HydrophobicContact CB-CB 4.27Å; P78-A102 HydrophobicContact CG-CB 4.32Å
79R95Very high93.6Very high62 Ų6281.6 Ų81.623%0.23442%0.416CS..Hα-helixtrans-58.9-45171.5177.459.4178.5169.4-4.1112.7T77 I81 L82 L83 G103 V105T77-R79 PolarHBondContact O-N 3.49Å; R79-I81 VanDerWaalsContact C-N 3.33Å; R79-L82 PolarHBondContact O-N 3.3Å; R79-L83 HydrophobicContact CG-CD1 4.13Å; R79-L83 VanDerWaalsContact O-CG 3.3Å; R79-L83 WeakPolarHBondContact O-CG 3.35Å; R79-L83 PolarHBondContact O-N 3.01Å; R79-G103 WeakPolarHBondContact CD-O 3.32Å; R79-G103 PolarHBondContact NH1-O 3.15Å; R79-V105 VanDerWaalsContact NH1-C 3.3Å; R79-V105 PolarHBondContact NH1-O 2.98Å; R79-V105 PolarHBondContact NH2-O 3.25Å
80H96.4Very high93.5Very high5 Ų579.4 Ų79.42%0.02341%0.413CS..Hα-helixtrans-68.3-36-179.9-56.3142.2000111.5A64 A67 A68 N71 R75 V76 T77 L83 A84A64-H80 HydrophobicContact CB-CB 4.36Å; A64-H80 WeakPolarHBondContact O-CB 3.5Å; A67-H80 HydrophobicContact CB-CB 4.2Å; A68-H80 HydrophobicContact CB-CB 4.39Å; A68-H80 VanDerWaalsContact CB-ND1 3.35Å; A68-H80 WeakPolarHBondContact CB-ND1 3.34Å; N71-H80 PolarHBondContact ND2-CD2 3.13Å; N71-H80 VanDerWaalsContact ND2-CD2 3.26Å; N71-H80 PolarHBondContact ND2-NE2 3.21Å; R75-H80 PolarHBondContact O-CE1 2.91Å; R75-H80 PolarHBondContact O-ND1 3.28Å; V76-H80 HydrophobicContact CG1-CB 4.29Å; T77-H80 PolarHBondContact N-ND1 3.21Å; T77-H80 VanDerWaalsContact N-ND1 3.15Å; T77-H80 WeakPolarHBondContact O-CB 3.37Å; T77-H80 PolarHBondContact O-N 3.09Å; T77-H80 PolarHBondContact OG1-CE1 3.35Å; T77-H80 PolarHBondContact OG1-ND1 3.44Å; H80-L83 PolarHBondContact O-N 3.02Å; H80-A84 VanDerWaalsContact O-CB 3.25Å; H80-A84 WeakPolarHBondContact O-CB 3.03Å; H80-A84 PolarHBondContact O-N 3.26Å
81I96.3Very high93.6Very high50 Ų5073.7 Ų73.726%0.25638%0.383SS..Hα-helixtrans-65.3-44174.6-60.4172.7000110.5I60 A64 V76 T77 P78 R79 A84 I85 I100I60-I81 HydrophobicContact CG2-CG2 4Å; A64-I81 HydrophobicContact CB-CG1 4.01Å; V76-I81 HydrophobicContact CG1-CD1 4.39Å; V76-I81 HydrophobicContact CG1-CG1 3.98Å; T77-I81 PolarHBondContact O-N 3.13Å; P78-I81 PolarHBondContact O-N 3.35Å; R79-I81 VanDerWaalsContact C-N 3.33Å; I81-A84 PolarHBondContact O-N 2.67Å; I81-I85 HydrophobicContact CG2-CD1 3.65Å; I81-I85 WeakPolarHBondContact O-CB 3.49Å; I81-I85 WeakPolarHBondContact O-CG1 3.45Å; I81-I85 PolarHBondContact O-N 2.82Å; I81-I100 HydrophobicContact CG2-CD1 4.3Å
82L94.6Very high93.7Very high33 Ų3374 Ų7417%0.17338%0.384CS..Hα-helixtrans-61-47.2174.9179.973.2000111.7P78 R79 A84 I85 A86 I100 G103 G104P78-L82 PolarHBondContact O-N 2.86Å; R79-L82 PolarHBondContact O-N 3.3Å; L82-A84 VanDerWaalsContact C-N 3.32Å; L82-A84 PolarHBondContact O-N 2.74Å; L82-I85 PolarHBondContact O-N 3.05Å; L82-A86 WeakPolarHBondContact O-CB 3.19Å; L82-A86 PolarHBondContact O-N 3.19Å; L82-I100 HydrophobicContact CB-CD1 4.12Å; L82-I100 HydrophobicContact CD1-CB 4.37Å; L82-I100 HydrophobicContact CD1-CD1 3.84Å; L82-I100 HydrophobicContact CD1-CG1 4.5Å; L82-G103 VanDerWaalsContact CD2-C 3.48Å; L82-G103 WeakPolarHBondContact CD2-O 3.32Å; L82-G104 WeakPolarHBondContact CD2-O 3.2Å
83L92.7Very high93.6Very high20 Ų2070.3 Ų70.311%0.10537%0.37CS..Hα-helixtrans-62.6-40.7179.2-71.2171.3000111.7A67 R79 H80 N87 L106A67-L83 HydrophobicContact CB-CB 4.32Å; R79-L83 HydrophobicContact CG-CD1 4.13Å; R79-L83 VanDerWaalsContact O-CG 3.3Å; R79-L83 WeakPolarHBondContact O-CG 3.35Å; R79-L83 PolarHBondContact O-N 3.01Å; H80-L83 PolarHBondContact O-N 3.02Å; L83-N87 VanDerWaalsContact O-CB 3.28Å; L83-N87 WeakPolarHBondContact O-CB 3.47Å; L83-N87 VanDerWaalsContact O-CG 3.25Å; L83-N87 PolarHBondContact O-N 2.81Å; L83-N87 VanDerWaalsContact O-N 3.1Å; L83-N87 PolarHBondContact O-ND2 3.02Å; L83-L106 HydrophobicContact CD2-CD2 3.86Å
84A94.4Very high93.5Very high8 Ų869.2 Ų69.27%0.06637%0.37CS..Hα-helixtrans-60.9-55.3176.300000111.6L63 A64 H80 I81 L82 A86 N87 D88L63-A84 HydrophobicContact CB-CB 3.63Å; A64-A84 HydrophobicContact CB-CB 4.03Å; H80-A84 VanDerWaalsContact O-CB 3.25Å; H80-A84 WeakPolarHBondContact O-CB 3.03Å; H80-A84 PolarHBondContact O-N 3.26Å; I81-A84 PolarHBondContact O-N 2.67Å; L82-A84 VanDerWaalsContact C-N 3.32Å; L82-A84 PolarHBondContact O-N 2.74Å; A84-A86 VanDerWaalsContact C-N 3.33Å; A84-A86 PolarHBondContact O-N 2.75Å; A84-N87 PolarHBondContact O-N 2.8Å; A84-D88 WeakPolarHBondContact O-CB 3.3Å; A84-D88 PolarHBondContact O-N 2.88Å
85I94.4Very high93.5Very high13 Ų1366.9 Ų66.97%0.06733%0.333CS..Hα-helixtrans-62.1-41.8-178.2-71.2162.5000111.2I60 I81 L82 D88 L91 N92 L95 I100I60-I85 HydrophobicContact CG1-CG1 4.47Å; I60-I85 HydrophobicContact CG2-CD1 4.39Å; I60-I85 HydrophobicContact CG2-CG1 4.46Å; I81-I85 HydrophobicContact CG2-CD1 3.65Å; I81-I85 WeakPolarHBondContact O-CB 3.49Å; I81-I85 WeakPolarHBondContact O-CG1 3.45Å; I81-I85 PolarHBondContact O-N 2.82Å; L82-I85 PolarHBondContact O-N 3.05Å; I85-D88 PolarHBondContact O-N 3.11Å; I85-L91 HydrophobicContact CB-CB 4.49Å; I85-L91 HydrophobicContact CG1-CB 4.42Å; I85-L91 HydrophobicContact CG2-CB 4.25Å; I85-N92 WeakPolarHBondContact O-CA 3.39Å; I85-N92 VanDerWaalsContact O-CB 3.32Å; I85-N92 WeakPolarHBondContact O-CB 3.28Å; I85-N92 PolarHBondContact O-N 2.77Å; I85-L95 HydrophobicContact CD1-CD1 3.45Å; I85-L95 VanDerWaalsContact CD1-CD1 3.45Å; I85-L95 HydrophobicContact CG1-CD1 3.86Å; I85-L95 HydrophobicContact CG2-CB 4.17Å; I85-L95 HydrophobicContact CG2-CD1 3.93Å; I85-I100 HydrophobicContact CD1-CD1 3.56Å
86A89.9Confident93.2Very high20 Ų2064.6 Ų64.617%0.16533%0.329CS..Hα-helixtrans-77.8-24.9-17400000114.6L82 A84 D88 L106L82-A86 WeakPolarHBondContact O-CB 3.19Å; L82-A86 PolarHBondContact O-N 3.19Å; A84-A86 VanDerWaalsContact C-N 3.33Å; A84-A86 PolarHBondContact O-N 2.75Å; A86-D88 VanDerWaalsContact C-N 3.3Å; A86-L106 HydrophobicContact CB-CD1 3.63Å; A86-L106 HydrophobicContact CB-CD2 3.64Å; A86-L106 HydrophobicContact CB-CG 4.03Å
87N87.8Confident92.8Very high132 Ų13265.6 Ų65.671%0.70635%0.351SS*.Hα-helixtrans-85.8-7.6174.5-70.6-39000112.5L83 A84L83-N87 VanDerWaalsContact O-CB 3.28Å; L83-N87 WeakPolarHBondContact O-CB 3.47Å; L83-N87 VanDerWaalsContact O-CG 3.25Å; L83-N87 PolarHBondContact O-N 2.81Å; L83-N87 VanDerWaalsContact O-N 3.1Å; L83-N87 PolarHBondContact O-ND2 3.02Å; A84-N87 PolarHBondContact O-N 2.8Å
88D93.3Very high92.7Very high35 Ų3567.4 Ų67.419%0.18736%0.362CS..SBendtrans-104.8122.7176.9-176.1-92.4000110.1L63 A84 I85 A86 E90 L91 N92L63-D88 HydrophobicContact CD1-CB 4.06Å; A84-D88 WeakPolarHBondContact O-CB 3.3Å; A84-D88 PolarHBondContact O-N 2.88Å; I85-D88 PolarHBondContact O-N 3.11Å; A86-D88 VanDerWaalsContact C-N 3.3Å; D88-E90 PolarHBondContact OD1-N 3.19Å; D88-L91 HydrophobicContact CB-CB 4.1Å; D88-L91 HydrophobicContact CB-CD1 4.12Å; D88-L91 HydrophobicContact CB-CG 4.36Å; D88-L91 VanDerWaalsContact OD1-CB 3.27Å; D88-L91 WeakPolarHBondContact OD1-CB 3.41Å; D88-L91 VanDerWaalsContact OD1-CG 3.23Å; D88-L91 WeakPolarHBondContact OD1-CG 3.45Å; D88-L91 PolarHBondContact OD1-N 2.94Å; D88-N92 WeakPolarHBondContact O-CB 3.49Å; D88-N92 PolarHBondContact O-N 3.37Å
89E88.5Confident92.4Very high171 Ų17171 Ų7180%0.79938%0.383SS*.Hα-helixtrans-67-41.5-171.9-173.1171.5-172.500112Q93E89-Q93 WeakPolarHBondContact O-CB 3.4Å; E89-Q93 PolarHBondContact O-N 2.88Å
90E90.3Very high92.3Very high128 Ų12870.1 Ų70.160%0.59838%0.383SS*.Hα-helixtrans-70.6-46.4-177.7-60.5-156.2158.300111.6D88 Q93 L94D88-E90 PolarHBondContact OD1-N 3.19Å; E90-Q93 PolarHBondContact O-N 3.1Å; E90-L94 WeakPolarHBondContact O-CB 3.35Å; E90-L94 PolarHBondContact O-N 3.19Å
91L93.2Very high92.2Very high8 Ų873.8 Ų73.84%0.04241%0.413CS..Hα-helixtrans-67.2-39.5177.3-68175.5000111.6E59 I60 L63 I85 D88 Q93 L94 L95E59-L91 HydrophobicContact CG-CD1 4.39Å; I60-L91 HydrophobicContact CD1-CD2 4.3Å; I60-L91 HydrophobicContact CG1-CD1 3.88Å; I60-L91 HydrophobicContact CG1-CD2 3.93Å; L63-L91 HydrophobicContact CD1-CD1 3.69Å; I85-L91 HydrophobicContact CB-CB 4.49Å; I85-L91 HydrophobicContact CG1-CB 4.42Å; I85-L91 HydrophobicContact CG2-CB 4.25Å; D88-L91 HydrophobicContact CB-CB 4.1Å; D88-L91 HydrophobicContact CB-CD1 4.12Å; D88-L91 HydrophobicContact CB-CG 4.36Å; D88-L91 VanDerWaalsContact OD1-CB 3.27Å; D88-L91 WeakPolarHBondContact OD1-CB 3.41Å; D88-L91 VanDerWaalsContact OD1-CG 3.23Å; D88-L91 WeakPolarHBondContact OD1-CG 3.45Å; D88-L91 PolarHBondContact OD1-N 2.94Å; L91-Q93 VanDerWaalsContact C-N 3.28Å; L91-Q93 PolarHBondContact O-N 2.7Å; L91-L94 HydrophobicContact CD2-CD2 4.41Å; L91-L94 PolarHBondContact O-N 3.01Å; L91-L95 VanDerWaalsContact O-CB 3.28Å; L91-L95 WeakPolarHBondContact O-CB 3.36Å; L91-L95 PolarHBondContact O-N 3.46Å
92N92Very high92Very high83 Ų8375.7 Ų75.744%0.44444%0.437SS..Hα-helixtrans-62.6-38.4175-171.940000111.2I85 D88 K96I85-N92 WeakPolarHBondContact O-CA 3.39Å; I85-N92 VanDerWaalsContact O-CB 3.32Å; I85-N92 WeakPolarHBondContact O-CB 3.28Å; I85-N92 PolarHBondContact O-N 2.77Å; D88-N92 WeakPolarHBondContact O-CB 3.49Å; D88-N92 PolarHBondContact O-N 3.37Å; N92-K96 WeakPolarHBondContact O-CA 3.45Å; N92-K96 WeakPolarHBondContact O-CB 3.48Å; N92-K96 PolarHBondContact O-N 2.83Å
93Q92.9Very high91.8Very high116 Ų11674.1 Ų74.154%0.54243%0.429SS..Hα-helixtrans-74.9-39.6177.2-176.649.861.600112.3E89 E90 L91 K96E89-Q93 WeakPolarHBondContact O-CB 3.4Å; E89-Q93 PolarHBondContact O-N 2.88Å; E90-Q93 PolarHBondContact O-N 3.1Å; L91-Q93 VanDerWaalsContact C-N 3.28Å; L91-Q93 PolarHBondContact O-N 2.7Å; Q93-K96 VanDerWaalsContact O-CB 3.28Å; Q93-K96 WeakPolarHBondContact O-CB 3.37Å; Q93-K96 PolarHBondContact O-N 2.81Å
94L92.2Very high91.6Very high107 Ų10776.1 Ų76.156%0.5645%0.454SS*.Hα-helixtrans-64.5-41176.517864.4000111.7L56 E90 L91L56-L94 HydrophobicContact CD1-CD2 4.45Å; L56-L94 HydrophobicContact CD2-CD2 3.99Å; E90-L94 WeakPolarHBondContact O-CB 3.35Å; E90-L94 PolarHBondContact O-N 3.19Å; L91-L94 HydrophobicContact CD2-CD2 4.41Å; L91-L94 PolarHBondContact O-N 3.01Å
95L93Very high91.2Very high49 Ų4981.5 Ų81.526%0.25749%0.486SS..THydrogen-bonded Turntrans-100.220.9-178.8-58.6175.4000112.1I60 I85 L91 G97 V98I60-L95 HydrophobicContact CD1-CD1 4.22Å; I85-L95 HydrophobicContact CD1-CD1 3.45Å; I85-L95 VanDerWaalsContact CD1-CD1 3.45Å; I85-L95 HydrophobicContact CG1-CD1 3.86Å; I85-L95 HydrophobicContact CG2-CB 4.17Å; I85-L95 HydrophobicContact CG2-CD1 3.93Å; L91-L95 VanDerWaalsContact O-CB 3.28Å; L91-L95 WeakPolarHBondContact O-CB 3.36Å; L91-L95 PolarHBondContact O-N 3.46Å; L95-G97 PolarHBondContact O-N 2.97Å; L95-G97 VanDerWaalsContact O-N 3.13Å; L95-V98 HydrophobicContact CB-CB 4.23Å; L95-V98 HydrophobicContact CB-CG2 4.13Å; L95-V98 HydrophobicContact CD2-CG2 4.16Å; L95-V98 VanDerWaalsContact O-CB 3.3Å; L95-V98 WeakPolarHBondContact O-CB 3.34Å; L95-V98 WeakPolarHBondContact O-CG2 3.42Å; L95-V98 PolarHBondContact O-N 3.22Å
96K91.8Very high90.5Very high152 Ų15284.7 Ų84.766%0.66150%0.502SS*.THydrogen-bonded Turntrans-58.4119177.9-169.6173.3-172.9169.50110.1N92 Q93N92-K96 WeakPolarHBondContact O-CA 3.45Å; N92-K96 WeakPolarHBondContact O-CB 3.48Å; N92-K96 PolarHBondContact O-N 2.83Å; Q93-K96 VanDerWaalsContact O-CB 3.28Å; Q93-K96 WeakPolarHBondContact O-CB 3.37Å; Q93-K96 PolarHBondContact O-N 2.81Å
97G87.6Confident89.9Confident79 Ų7988.5 Ų88.581%0.81453%0.525SS*.THydrogen-bonded Turntrans89.50.9-177.700000115.1L95L95-G97 PolarHBondContact O-N 2.97Å; L95-G97 VanDerWaalsContact O-N 3.13Å
98V92.9Very high89.6Confident88 Ų8888.3 Ų88.353%0.53353%0.525SS..  trans-80.2130.1170.6178.40000109.7L95L95-V98 HydrophobicContact CB-CB 4.23Å; L95-V98 HydrophobicContact CB-CG2 4.13Å; L95-V98 HydrophobicContact CD2-CG2 4.16Å; L95-V98 VanDerWaalsContact O-CB 3.3Å; L95-V98 WeakPolarHBondContact O-CB 3.34Å; L95-V98 WeakPolarHBondContact O-CG2 3.42Å; L95-V98 PolarHBondContact O-N 3.22Å
99T92.1Very high89Confident133 Ų13391.6 Ų91.682%0.81654%0.541SS*.  trans-93.1120.3174.3-60.90000110.5A101T99-A101 PolarHBondContact O-N 2.96Å
100I92.7Very high88.6Confident43 Ų4388.8 Ų88.822%0.22153%0.528CS..  trans-92.6101.5174.6-58.6168.9000108.7P78 I81 L82 I85 A102 G103P78-I100 HydrophobicContact CB-CG2 4.28Å; I81-I100 HydrophobicContact CG2-CD1 4.3Å; L82-I100 HydrophobicContact CB-CD1 4.12Å; L82-I100 HydrophobicContact CD1-CB 4.37Å; L82-I100 HydrophobicContact CD1-CD1 3.84Å; L82-I100 HydrophobicContact CD1-CG1 4.5Å; I85-I100 HydrophobicContact CD1-CD1 3.56Å; I100-A102 PolarHBondContact O-N 3.48Å; I100-G103 PolarHBondContact O-N 3.32Å; I100-G103 VanDerWaalsContact O-N 3.08Å
101A92.8Very high88.1Confident81 Ų8187.1 Ų87.167%0.66953%0.528SS*.THydrogen-bonded Turntrans-57.4137.3178.500000111.2P78 T99 G103P78-A101 VanDerWaalsContact CB-O 3.25Å; P78-A101 WeakPolarHBondContact CB-O 3.35Å; T99-A101 PolarHBondContact O-N 2.96Å; A101-G103 PolarHBondContact O-N 3.03Å; A101-G103 VanDerWaalsContact O-N 3.16Å
102A92.9Very high87.7Confident90 Ų9094 Ų9474%0.74456%0.56SS**THydrogen-bonded Turntrans59.615.1-175.300000115.6P78 I100 G104P78-A102 HydrophobicContact CB-CB 4.27Å; P78-A102 HydrophobicContact CG-CB 4.32Å; I100-A102 PolarHBondContact O-N 3.48Å; A102-G104 VanDerWaalsContact C-N 3.35Å
103G89.8Confident86.9Confident1 Ų196.1 Ų96.11%0.0157%0.571CS.*  trans-75.8-19.3174.900000114.4R79 L82 I100 A101R79-G103 WeakPolarHBondContact CD-O 3.32Å; R79-G103 PolarHBondContact NH1-O 3.15Å; L82-G103 VanDerWaalsContact CD2-C 3.48Å; L82-G103 WeakPolarHBondContact CD2-O 3.32Å; I100-G103 PolarHBondContact O-N 3.32Å; I100-G103 VanDerWaalsContact O-N 3.08Å; A101-G103 PolarHBondContact O-N 3.03Å; A101-G103 VanDerWaalsContact O-N 3.16Å
104G89.6Confident86.3Confident61 Ų6195.3 Ų95.363%0.62957%0.57SS**  trans70.8-154.6-172.600000112.4L82 A102L82-G104 WeakPolarHBondContact CD2-O 3.2Å; A102-G104 VanDerWaalsContact C-N 3.35Å
105V85.2Confident85.3Confident122 Ų12294.7 Ų94.774%0.73958%0.58SS**  trans-120.2150179.1-64.50000110.8R79R79-V105 VanDerWaalsContact NH1-C 3.3Å; R79-V105 PolarHBondContact NH1-O 2.98Å; R79-V105 PolarHBondContact NH2-O 3.25Å
106L80.6Confident83.6Confident79 Ų79102.6 Ų102.641%0.41461%0.612SS.*  trans-58.7140.4176-72.2174.2000111L83 A86 N108L83-L106 HydrophobicContact CD2-CD2 3.86Å; A86-L106 HydrophobicContact CB-CD1 3.63Å; A86-L106 HydrophobicContact CB-CD2 3.64Å; A86-L106 HydrophobicContact CB-CG 4.03Å; L106-N108 PolarHBondContact O-N 2.94Å
107P76.8Confident81.5Confident100 Ų100103.4 Ų103.465%0.64962%0.615SS**  trans-59.7115.6173.1-16.831.3000108.8
108N82.1Confident79.4Confident129 Ų129111.6 Ų111.669%0.6962%0.622SS**  trans-122.7119.5173.6-175.716.2000107.7L106L106-N108 PolarHBondContact O-N 2.94Å
109I80.1Confident77.3Confident104 Ų104111.1 Ų111.153%0.53363%0.634SS.*  trans-106117.8175.8-57174.9000106.5L113 L114I109-L113 HydrophobicContact CG2-CB 4.08Å; I109-L114 HydrophobicContact CB-CD2 4.42Å; I109-L114 HydrophobicContact CG2-CD2 3.81Å; I109-L114 HydrophobicContact CG2-CG 4.18Å
110H80.8Confident74.8Confident111 Ų111107.6 Ų107.651%0.51462%0.619SS.*  trans-54.3132.1173.3-81-77.7000109.9E112 L113H110-E112 WeakPolarHBondContact CB-OE2 3.39Å; H110-E112 PolarHBondContact O-N 3Å; H110-L113 HydrophobicContact CB-CD1 4.07Å; H110-L113 HydrophobicContact CB-CG 4.11Å; H110-L113 WeakPolarHBondContact O-CB 3.37Å; H110-L113 PolarHBondContact O-N 2.76Å
111P78.8Confident72.4Confident93 Ų93116.3 Ų116.360%0.60466%0.655SS**G310 helixtrans-52.6-29.5-179.1-28.535.4000113.8L113 L114P111-L113 VanDerWaalsContact C-N 3.27Å; P111-L113 PolarHBondContact O-N 2.78Å; P111-L114 PolarHBondContact O-N 3.32Å
112E85.8Confident69.7Low154 Ų154115.6 Ų115.672%0.7266%0.655SS**G310 helixtrans-66.9-25.5176.9-61.176.3-165.100113.4H110H110-E112 WeakPolarHBondContact CB-OE2 3.39Å; H110-E112 PolarHBondContact O-N 3Å
113L75.5Confident66.9Low127 Ų127121 Ų12167%0.66566%0.662SS**G310 helixtrans-89.8-8.2-179.6-60.2178.1000112.8I109 H110 P111 A115I109-L113 HydrophobicContact CG2-CB 4.08Å; H110-L113 HydrophobicContact CB-CD1 4.07Å; H110-L113 HydrophobicContact CB-CG 4.11Å; H110-L113 WeakPolarHBondContact O-CB 3.37Å; H110-L113 PolarHBondContact O-N 2.76Å; P111-L113 VanDerWaalsContact C-N 3.27Å; P111-L113 PolarHBondContact O-N 2.78Å; L113-A115 PolarHBondContact O-N 3.01Å; L113-A115 VanDerWaalsContact O-N 3.12Å
114L78.8Confident64.3Low99 Ų99129.1 Ų129.152%0.51870%0.704SS.*SBendtrans-72.8103169.5-63174.3000108.1I109 P111 K116I109-L114 HydrophobicContact CB-CD2 4.42Å; I109-L114 HydrophobicContact CG2-CD2 3.81Å; I109-L114 HydrophobicContact CG2-CG 4.18Å; P111-L114 PolarHBondContact O-N 3.32Å; L114-K116 PolarHBondContact O-N 3.3Å; L114-K116 VanDerWaalsContact O-N 3.16Å
115A71.1Confident61.7Low94 Ų94133.7 Ų133.778%0.77771%0.709SS**  trans-51.8123.2-177.700000111.6L113 K117L113-A115 PolarHBondContact O-N 3.01Å; L113-A115 VanDerWaalsContact O-N 3.12Å; A115-K117 VanDerWaalsContact C-N 3.3Å; A115-K117 PolarHBondContact O-N 3.01Å
116K58.4Low59.4Low214 Ų214133 Ų13393%0.9371%0.706SS**  trans-69.488.9171.3-123.9176.6-173.1170.80108.5L114 R118L114-K116 PolarHBondContact O-N 3.3Å; L114-K116 VanDerWaalsContact O-N 3.16Å; K116-R118 PolarHBondContact O-N 3.16Å
117K46.3Very low57.4Low169 Ų169135.5 Ų135.574%0.73573%0.726SS**  trans-63.1109-178.4-156.6173.2-177.1-178.50109.5A115 G119 A120A115-K117 VanDerWaalsContact C-N 3.3Å; A115-K117 PolarHBondContact O-N 3.01Å; K117-G119 PolarHBondContact O-N 2.81Å; K117-G119 VanDerWaalsContact O-N 3.11Å; K117-A120 HydrophobicContact CD-CB 3.92Å; K117-A120 HydrophobicContact CG-CB 4.48Å
118R45Very low55.4Low252 Ų252137.2 Ų137.295%0.95174%0.735SS**SBendtrans-69.9104.3169.7-133.4177.1175.8-176.1-2107K116K116-R118 PolarHBondContact O-N 3.16Å
119G48.4Very low53Low77 Ų77136.4 Ų136.479%0.79474%0.739SS**SBendtrans87.569.5172.700000115.6K117K117-G119 PolarHBondContact O-N 2.81Å; K117-G119 VanDerWaalsContact O-N 3.11Å
120A38.7Very low51.1Low59 Ų59137.5 Ų137.549%0.48875%0.753SS.*  trans-153.2120.8152.900000109.3K117 G122K117-A120 HydrophobicContact CD-CB 3.92Å; K117-A120 HydrophobicContact CG-CB 4.48Å; A120-G122 PolarHBondContact O-N 3.42Å
121K42.8Very low48.8Very low227 Ų227136.8 Ų136.899%0.98777%0.767SS**  trans-71.4104.3165.3-78.2-179.1175.4178.80107.7
122G35.4Very low46.7Very low65 Ų65138.6 Ų138.667%0.6778%0.778SS**  trans-168.3109.7171.100000108.4A120A120-G122 PolarHBondContact O-N 3.42Å
123K34.3Very low44.5Very low204 Ų204140.4 Ų140.489%0.88779%0.787SS**PPolyproline II helixtrans-72.8123.9178.9-76.9-178.8173.6-175.60109.1
124L35.2Very low42.3Very low171 Ų171144.6 Ų144.690%0.89580%0.8SS**PPolyproline II helixtrans-101.5122.9159.2-91.9143.3000106.2
125E35.5Very low39.9Very low157 Ų157149.8 Ų149.873%0.73482%0.818SS**PPolyproline II helixtrans-86.1124.8176.6-67.3-172.2155.600109.7
126T38.1Very low38.1Very low109 Ų109150.9 Ų150.967%0.66982%0.817SS**  trans-108.4149.9164.7390000109.6
127P37.3Very low36.6Very low130 Ų130150.5 Ų150.584%0.84482%0.815SS**  trans-75.2139-17310.13.5000111.8
128V35.5Very low35.6Very low136 Ų136148.3 Ų148.382%0.82482%0.817SS**  trans-95.5124.3178.1176.60000109.8
129S32Very low34.8Very low113 Ų113142.4 Ų142.479%0.7981%0.808SS**  trans-107.9150.6150.5-87.80000109.1
130P40.2Very low33.7Very low126 Ų126148.5 Ų148.582%0.81881%0.813SS**  trans-86.6151.2-151.633.7-34.1000113.4
131A32.3Very low33.1Very low97 Ų97155 Ų15580%0.80283%0.83SS**  trans-119.1150.3173.500000111.5
132P33.6Very low32.2Very low130 Ų130150.8 Ų150.884%0.84482%0.824SS**  trans-89.2160.3-160.234.9-35.2000115.5
133E39.9Very low31.8Very low193 Ų193152.3 Ų152.390%0.90283%0.83SS**  trans-55.4140.9-175.9-60178.1150.100116.3
134K30Very low31.4Very low215 Ų215147.5 Ų147.594%0.93583%0.828SS**  trans-145.4144.1148.1-75.7-165179.8172.70113.4
135K28.1Very low31Very low207 Ų207149.4 Ų149.490%0.983%0.829SS**  trans-65.5165.6-167.4-71.9178.8178.3179.80117.2
136P32.6Very low30.5Very low117 Ų117151 Ų15176%0.7683%0.833SS**  trans-100150.9-16537.8-30.9000114.5
137K28.2Very low29.9Very low206 Ų206153.9 Ų153.990%0.89684%0.844SS**  trans-146.9108.8155.8-75.6-163.8178.5177.70113.7
138T24.9Very low29.2Very low124 Ų124151.1 Ų151.176%0.76184%0.839SS**  trans13.6124.6139.334.40000124.2
139V27.5Very low28.7Very low127 Ų127148.4 Ų148.477%0.7784%0.838SS**  63.7121.4123.5-1730000121.3
140K26Very low28.3Very low206 Ų206151.8 Ų151.890%0.89684%0.839SS**  -164.1139.8120.7-108.3174.8-175.9-179.60114.1
141K25.5Very low27.5Very low194 Ų194155 Ų15584%0.84384%0.84SS**  trans-76.6153.5175.3-72.5173.4171.2175.40112.3
142T24.9Very low27.2Very low140 Ų140155 Ų15586%0.85984%0.839SS**  178.1116.2128.330.20000108.1
143A26.6Very low26.6Very low96 Ų96152.8 Ų152.879%0.79384%0.841SS**  76.7101.978.700000115.8
144A25.6Very low26Very low103 Ų103147.7 Ų147.785%0.85184%0.84SS**  trans46.3129.3138.300000122.4
145K26.3Very low25.7Very low212 Ų212147.3 Ų147.392%0.92284%0.838SS**  -163.1144.8116.6-132171.5-179.11750114.1
146K24.6Very low25.6Very low189 Ų189144.1 Ų144.182%0.82284%0.836SS**  trans-69.1172.1176.9-85174.6163.21750114.3
147L25.3Very low25.3Very low171 Ų171148 Ų14890%0.89584%0.841SS**  trans114.6130.3147.8-65.9152.2000111.1
148G23.1Very low25Very low71 Ų71149.9 Ų149.973%0.73284%0.843SS**  cis156.7142.46.600000108.8
149G24.7Very low25Very low79 Ų79148 Ų14881%0.81485%0.848SS**  trans71.3155.2161.200000117.1
150K24.4Very low24.7Very low184 Ų184150.3 Ų150.380%0.885%0.85SS**  cis-176.2138-9.6-135.1-178-174.5174.40105
151K23.9Very low24.8Very low195 Ų195147.4 Ų147.485%0.84885%0.849SS**  trans57.2155.8150.3-73.3-177.6175.2-170.30117.5
152A24.6Very low24.7Very low95 Ų95142.9 Ų142.979%0.78584%0.842SS**  cis-154.1150.3-2.500000104.5
153G22.8Very low24.7Very low85 Ų85146.2 Ų146.288%0.87685%0.845SS**  90.8108.681.700000111.3
154G25.7Very low24.5Very low85 Ų85146.9 Ų146.988%0.87684%0.844SS**  trans176.794.2172.300000113
155K24.7Very low24.5Very low207 Ų207146.1 Ų146.190%0.984%0.837SS**  trans-85.3139.8170.2-92.7177.4171.2174.90110.1
156T25.2Very low24.4Very low140 Ų140141.4 Ų141.486%0.85983%0.831SS**  trans-170.4104.914415.80000108.1
157K25.9Very low24.5Very low200 Ų200137.1 Ų137.187%0.8783%0.831SS**  67108.390.5-103.5-170.6-179.1-176.60116.3
158R22.7Very low24.4Very low244 Ų244136.9 Ų136.992%0.92183%0.83SS**  trans21.7132141.3-76.6-178.6172.3-177.8-4120.1
159G24.5Very low24.6Very low84 Ų84137.4 Ų137.487%0.86682%0.823SS**  trans-146.9118.7149.400000109.3
160E22Very low24.8Very low177 Ų177140.9 Ų140.983%0.82783%0.829SS**  trans-100132.6-179.3-179.3-178.2177.200107.7
161V27.2Very low25.3Very low144 Ų144138.2 Ų138.287%0.87383%0.828SS**  trans-145120.3160.7-172.50000109.8
162S23.6Very low25.6Very low100 Ų100138.4 Ų138.470%0.69983%0.832SS**  trans-81.5144.3168.443.90000111.4
163K25.1Very low25.8Very low209 Ų209137.9 Ų137.991%0.90984%0.836SS**  trans-166137.1132.4-127.9174.5180175.60113.2
164S22.5Very low26.5Very low111 Ų111138.1 Ų138.178%0.77682%0.824SS**  trans-84.7157.4179.7440000113.7
165A25.1Very low26.9Very low86 Ų86142.9 Ų142.971%0.71183%0.829SS**  trans164.2100.8140.200000108
166S25Very low27.5Very low114 Ų114136.7 Ų136.780%0.79782%0.816SS**  66.7140.590.968.80000113.9
167A26.1Very low28.3Very low99 Ų99137.7 Ų137.782%0.81882%0.816SS**  cis178.6138.2-15.900000103.2
168D24.5Very low29.8Very low165 Ų165131.6 Ų131.688%0.88280%0.798SS**  trans-157.5141.1135.8-15812.5000109.9
169S27.1Very low32.1Very low83 Ų83122.3 Ų122.358%0.5877%0.765SS**  trans-125.9138.9-160.454.20000110.1
170T29.1Very low34.7Very low151 Ų151122.8 Ų122.893%0.92675%0.751SS**  trans-137.2108.8146.7480000108.3
171T33.6Very low37.8Very low129 Ų129117.1 Ų117.179%0.79173%0.729SS**  trans-88.2132.6-177.541.30000111.7
172E30.9Very low40.7Very low199 Ų199113.7 Ų113.793%0.9371%0.705SS**  trans-121.2137.2143.2-78.7-164.5159.400108.7
173G29.3Very low43.9Very low84 Ų84110.5 Ų110.587%0.86668%0.682SS**  trans-69.3147.3-152.900000118.5
174S36.7Very low47.1Very low90 Ų90103.8 Ų103.863%0.62966%0.659SS**  trans-85.7146.7-175.7170.80000114.4A176S174-A176 PolarHBondContact OG-N 2.68Å
175L33.8Very low50.4Low185 Ų18599.9 Ų99.997%0.96963%0.628SS**  trans-142.462.6141-84.5172.4000108.2
176A37.2Very low53.6Low77 Ų7798.5 Ų98.564%0.63661%0.613SS**  trans-141.483.1178.800000110.5S174S174-A176 PolarHBondContact OG-N 2.68Å
177D42.2Very low56.6Low160 Ų16093.7 Ų93.786%0.85658%0.579SS**  trans-129.114.9175.5-104.4-8.8000114.3
178S58.3Low59Low72 Ų7295.6 Ų95.650%0.50357%0.568SS.*SBendtrans-105.8-15-173.4-47.30000115.1
179F70.7Confident61.8Low50 Ų5092 Ų9222%0.21955%0.549CS..SBendtrans-162154.1177.649.2-95.6000112.8V181 V196 A198 V203 Y343F179-V181 HydrophobicContact CD2-CG2 4.37Å; F179-V181 HydrophobicContact CE2-CG2 4.2Å; F179-V181 PolarHBondContact O-N 2.94Å; F179-V196 HydrophobicContact CD2-CB 3.58Å; F179-V196 HydrophobicContact CD2-CG1 3.55Å; F179-V196 HydrophobicContact CD2-CG2 4.2Å; F179-V196 HydrophobicContact CE2-CB 3.96Å; F179-V196 HydrophobicContact CE2-CG1 3.45Å; F179-V196 VanDerWaalsContact CE2-CG1 3.45Å; F179-V196 HydrophobicContact CE2-CG2 4.38Å; F179-V196 HydrophobicContact CG-CB 4.39Å; F179-A198 HydrophobicContact CB-CB 3.67Å; F179-A198 HydrophobicContact CG-CB 4.32Å; F179-V203 HydrophobicContact CD1-CG2 4.42Å; F179-V203 HydrophobicContact CE1-CG1 4.05Å; F179-V203 HydrophobicContact CZ-CG1 4.43Å; F179-Y343 HydrophobicContact CE2-CD1 4.25Å; F179-Y343 HydrophobicContact CE2-CE1 4.14Å; F179-Y343 HydrophobicContact CZ-CD1 4.25Å; F179-Y343 AromaticContact CZ-CE1 3.95Å; F179-Y343 HydrophobicContact CZ-CE1 3.95Å
180T79.8Confident64.7Low93 Ų9390.4 Ų90.457%0.57155%0.545SS*.EExtended strand (participates in β ladder)trans-82.2117.7178.2-53.30000110.4L182 Q197T180-L182 HydrophobicContact CG2-CD2 3.82Å; T180-Q197 PolarHBondContact O-N 2.95Å
181V85.6Confident67.7Low59 Ų5983.6 Ų83.636%0.35850%0.503SS..EExtended strand (participates in β ladder)trans-77.3119.2169-177.60000108.5F179 T184 Q194 V196F179-V181 HydrophobicContact CD2-CG2 4.37Å; F179-V181 HydrophobicContact CE2-CG2 4.2Å; F179-V181 PolarHBondContact O-N 2.94Å; V181-T184 WeakPolarHBondContact CG1-OG1 3.36Å; V181-Q194 HydrophobicContact CG1-CB 4.27Å; V181-Q194 HydrophobicContact CG1-CG 4.46Å; V181-V196 HydrophobicContact CG2-CG1 4.13Å
182L89.1Confident70.7Confident71 Ų7182.3 Ų82.337%0.37249%0.486SS..EExtended strand (participates in β ladder)trans-95.4-30.7-175.7-62.5-177.2000112.9T180 V195 Q197 I352T180-L182 HydrophobicContact CG2-CD2 3.82Å; L182-V195 PolarHBondContact N-O 3.44Å; L182-Q197 HydrophobicContact CD1-CB 3.77Å; L182-Q197 HydrophobicContact CG-CB 4.33Å; L182-I352 HydrophobicContact CD1-CB 4.4Å; L182-I352 HydrophobicContact CD1-CD1 3.73Å; L182-I352 HydrophobicContact CD1-CG1 4.08Å; L182-I352 HydrophobicContact CD1-CG2 3.44Å; L182-I352 VanDerWaalsContact CD1-CG2 3.44Å
183S90.1Very high73.8Confident33 Ų3372.8 Ų72.823%0.23144%0.442CS..EExtended strand (participates in β ladder)trans-153144.5175.6179.90000109.3Q194 V195S183-Q194 CarbonylContact O-C 2.8Å; S183-Q194 WeakPolarHBondContact O-CA 3.39Å; S183-V195 PolarHBondContact N-O 3.35Å; S183-V195 PolarHBondContact O-N 2.94Å
184T93.6Very high77Confident68 Ų6870.3 Ų70.342%0.41741%0.408SS..EExtended strand (participates in β ladder)trans-131.2136.3173.6-65.70000108.7V181 L193 Q194V181-T184 WeakPolarHBondContact CG1-OG1 3.36Å; T184-L193 CarbonylContact C-O 3.55Å; T184-L193 VanDerWaalsContact CA-O 3.32Å; T184-L193 WeakPolarHBondContact CA-O 3.49Å; T184-Q194 HydrophobicContact CG2-CG 3.96Å; T184-Q194 WeakPolarHBondContact OG1-CG 3.48Å; T184-Q194 PolarHBondContact OG1-NE2 3.31Å; T184-Q194 VanDerWaalsContact OG1-NE2 3.1Å
185K91.1Very high79.8Confident30 Ų3066 Ų6613%0.1338%0.378CS..EExtended strand (participates in β ladder)trans-132.8133.6171.3-168.5160.8-168.8144.60110.1K192 L193 M359 A360 L362 T364K185-K192 CarbonylContact O-C 3.37Å; K185-L193 PolarHBondContact N-O 2.89Å; K185-L193 PolarHBondContact O-N 3.5Å; K185-M359 HydrophobicContact CB-CE 3.58Å; K185-M359 WeakPolarHBondContact CD-O 3.22Å; K185-M359 VanDerWaalsContact CE-O 3.29Å; K185-M359 WeakPolarHBondContact CE-O 3.14Å; K185-M359 PolarHBondContact NZ-O 2.91Å; K185-A360 PolarHBondContact NZ-O 3Å; K185-L362 HydrophobicContact CD-CB 4.18Å; K185-L362 WeakPolarHBondContact CE-O 3.43Å; K185-L362 PolarHBondContact NZ-O 3.21Å; K185-T364 HydrophobicContact CD-CG2 4.3Å; K185-T364 HydrophobicContact CG-CG2 3.75Å
186S92Very high82.7Confident56 Ų5657.2 Ų57.239%0.39233%0.332SS..EExtended strand (participates in β ladder)trans-93.8134.8173.7-560000108.9Q191 T364S186-Q191 CarbonylContact C-O 3.4Å; S186-Q191 WeakPolarHBondContact CA-O 3.31Å; S186-T364 WeakPolarHBondContact O-CG2 3.36Å
187L87.4Confident85.2Confident14 Ų1457.8 Ų57.87%0.07332%0.321CS..  trans-83.1163.3168.2-58.1-178.2000109.9L189 G190 Q191 L193 F331L187-L189 VanDerWaalsContact C-N 3.3Å; L187-L189 PolarHBondContact O-N 3.43Å; L187-G190 WeakPolarHBondContact O-CA 3.45Å; L187-G190 PolarHBondContact O-N 2.84Å; L187-Q191 HydrophobicContact CB-CB 4.49Å; L187-Q191 HydrophobicContact CD1-CB 4.34Å; L187-Q191 PolarHBondContact N-O 3.12Å; L187-L193 HydrophobicContact CD1-CD1 4.28Å; L187-L193 HydrophobicContact CD1-CD2 4.15Å; L187-L193 HydrophobicContact CD1-CG 4.21Å; L187-L193 HydrophobicContact CD2-CD1 3.8Å; L187-L193 HydrophobicContact CD2-CG 4.19Å; L187-L193 HydrophobicContact CG-CD1 4.18Å; L187-L193 HydrophobicContact CG-CD2 4.5Å; L187-L193 HydrophobicContact CG-CG 4.05Å; L187-F331 HydrophobicContact CD1-CB 4.32Å; L187-F331 HydrophobicContact CD1-CD2 3.44Å; L187-F331 VanDerWaalsContact CD1-CD2 3.44Å; L187-F331 HydrophobicContact CD1-CE2 4.12Å; L187-F331 HydrophobicContact CD1-CG 4.24Å
188F78.1Confident87.6Confident138 Ų13851.1 Ų51.161%0.60529%0.289SS*.THydrogen-bonded Turntrans-48.9-44.1-177.4178.2-119.2000114.7G190 S365F188-G190 PolarHBondContact O-N 2.82Å; F188-S365 WeakPolarHBondContact CA-O 3.45Å; F188-S365 WeakPolarHBondContact CB-O 3.44Å; F188-S365 WeakPolarHBondContact CD2-O 3.38Å; F188-S365 WeakPolarHBondContact CD2-OXT 3.41Å
189L82.4Confident89.1Confident90 Ų9051.8 Ų51.847%0.47129%0.286SS..THydrogen-bonded Turntrans-8310.7-179.5-62.2177000113.5L187 Q191 F331L187-L189 VanDerWaalsContact C-N 3.3Å; L187-L189 PolarHBondContact O-N 3.43Å; L189-Q191 VanDerWaalsContact C-OE1 3.29Å; L189-Q191 VanDerWaalsContact CB-OE1 3.28Å; L189-F331 WeakPolarHBondContact CD1-O 3.3Å
190G87.4Confident90.2Very high49 Ų4950 Ų5051%0.50528%0.279SS..SBendtrans90.13.3172.600000115.6L187 F188L187-G190 WeakPolarHBondContact O-CA 3.45Å; L187-G190 PolarHBondContact O-N 2.84Å; F188-G190 PolarHBondContact O-N 2.82Å
191Q92.8Very high90.8Very high8 Ų845.9 Ų45.94%0.03725%0.254CS..PPolyproline II helixtrans-69.2136174-64.280.74.700110.7S186 L187 L189 F331 I339 K340S186-Q191 CarbonylContact C-O 3.4Å; S186-Q191 WeakPolarHBondContact CA-O 3.31Å; L187-Q191 HydrophobicContact CB-CB 4.49Å; L187-Q191 HydrophobicContact CD1-CB 4.34Å; L187-Q191 PolarHBondContact N-O 3.12Å; L189-Q191 VanDerWaalsContact C-OE1 3.29Å; L189-Q191 VanDerWaalsContact CB-OE1 3.28Å; Q191-F331 HydrophobicContact CB-CD2 4.44Å; Q191-F331 HydrophobicContact CB-CE2 4.25Å; Q191-F331 HydrophobicContact CB-CZ 4.41Å; Q191-F331 HydrophobicContact CG-CD1 3.91Å; Q191-F331 HydrophobicContact CG-CD2 4.36Å; Q191-F331 HydrophobicContact CG-CE1 3.83Å; Q191-F331 HydrophobicContact CG-CE2 4.22Å; Q191-F331 HydrophobicContact CG-CG 4.2Å; Q191-F331 HydrophobicContact CG-CZ 3.98Å; Q191-I339 WeakPolarHBondContact CG-O 3.36Å; Q191-K340 CarbonylContact C-O 3.57Å; Q191-K340 WeakPolarHBondContact CA-O 3.44Å
192K95.4Very high91Very high102 Ų10245.3 Ų45.344%0.44326%0.256SS..EExtended strand (participates in β ladder)trans-97124.2178.5-64.2-179.5-178.7-179.80110.3K185 Q194 K340 T341 V342K185-K192 CarbonylContact O-C 3.37Å; K192-Q194 HydrophobicContact CB-CG 4.48Å; K192-K340 PolarHBondContact N-O 2.9Å; K192-T341 HydrophobicContact CB-CG2 4.35Å; K192-T341 CarbonylContact O-C 3.51Å; K192-T341 WeakPolarHBondContact O-CA 3.39Å; K192-V342 PolarHBondContact O-N 3.23Å
193L96.7Very high91.1Very high0 Ų042 Ų420%024%0.238CC..EExtended strand (participates in β ladder)trans-95.1125.4166.1-58-169000108.4T184 K185 L187 L324 I327 V342 F344 M359 L362T184-L193 CarbonylContact C-O 3.55Å; T184-L193 VanDerWaalsContact CA-O 3.32Å; T184-L193 WeakPolarHBondContact CA-O 3.49Å; K185-L193 PolarHBondContact N-O 2.89Å; K185-L193 PolarHBondContact O-N 3.5Å; L187-L193 HydrophobicContact CD1-CD1 4.28Å; L187-L193 HydrophobicContact CD1-CD2 4.15Å; L187-L193 HydrophobicContact CD1-CG 4.21Å; L187-L193 HydrophobicContact CD2-CD1 3.8Å; L187-L193 HydrophobicContact CD2-CG 4.19Å; L187-L193 HydrophobicContact CG-CD1 4.18Å; L187-L193 HydrophobicContact CG-CD2 4.5Å; L187-L193 HydrophobicContact CG-CG 4.05Å; L193-L324 HydrophobicContact CD1-CD2 4.2Å; L193-I327 HydrophobicContact CD2-CG2 3.81Å; L193-V342 CarbonylContact C-O 3.51Å; L193-V342 WeakPolarHBondContact CA-O 3.45Å; L193-V342 HydrophobicContact CD2-CB 3.74Å; L193-V342 HydrophobicContact CD2-CG1 4.45Å; L193-V342 HydrophobicContact CD2-CG2 4.15Å; L193-F344 HydrophobicContact CB-CE2 4.06Å; L193-F344 HydrophobicContact CD1-CE2 4.32Å; L193-F344 HydrophobicContact CD2-CE2 4.44Å; L193-M359 HydrophobicContact CB-CE 3.7Å; L193-M359 HydrophobicContact CB-SD 4.45Å; L193-M359 WeakPolarHBondContact O-CE 3.49Å; L193-L362 HydrophobicContact CD1-CD1 3.6Å
194Q96.1Very high91.2Very high32 Ų3246.4 Ų46.415%0.1526%0.255CS..EExtended strand (participates in β ladder)trans-129.5123.4-177-63.7-165.2-41.200111.5V181 S183 T184 K192 V196 T341 V342 Y343 F344V181-Q194 HydrophobicContact CG1-CB 4.27Å; V181-Q194 HydrophobicContact CG1-CG 4.46Å; S183-Q194 CarbonylContact O-C 2.8Å; S183-Q194 WeakPolarHBondContact O-CA 3.39Å; T184-Q194 HydrophobicContact CG2-CG 3.96Å; T184-Q194 WeakPolarHBondContact OG1-CG 3.48Å; T184-Q194 PolarHBondContact OG1-NE2 3.31Å; T184-Q194 VanDerWaalsContact OG1-NE2 3.1Å; K192-Q194 HydrophobicContact CB-CG 4.48Å; Q194-V196 HydrophobicContact CB-CG1 4.24Å; Q194-T341 HydrophobicContact CG-CG2 4.36Å; Q194-V342 PolarHBondContact N-O 2.99Å; Q194-Y343 HydrophobicContact CB-CD1 4.01Å; Q194-Y343 HydrophobicContact CB-CE1 4.48Å; Q194-Y343 CarbonylContact O-C 3.59Å; Q194-Y343 WeakPolarHBondContact O-CA 3.49Å; Q194-F344 PolarHBondContact O-N 3.48Å
195V95.9Very high91.2Very high0 Ų043.5 Ų43.50%024%0.238CC..EExtended strand (participates in β ladder)trans-82.7124.6168-174.20000108.3L182 S183 L346 I352 V356 M359L182-V195 PolarHBondContact N-O 3.44Å; S183-V195 PolarHBondContact N-O 3.35Å; S183-V195 PolarHBondContact O-N 2.94Å; V195-L346 HydrophobicContact CG1-CD1 3.87Å; V195-I352 HydrophobicContact CG1-CG2 4.46Å; V195-V356 HydrophobicContact CG2-CG2 4.33Å; V195-M359 HydrophobicContact CG2-CE 4.25Å; V195-M359 HydrophobicContact CG2-SD 3.28Å; V195-M359 WeakPolarHBondContact CG2-SD 3.45Å
196V94Very high91.5Very high0 Ų043 Ų430%024%0.237CC..EExtended strand (participates in β ladder)trans-128.9135.7-177.7-54.80000109.7F179 V181 Q194 Y343 F344 V345 L346F179-V196 HydrophobicContact CD2-CB 3.58Å; F179-V196 HydrophobicContact CD2-CG1 3.55Å; F179-V196 HydrophobicContact CD2-CG2 4.2Å; F179-V196 HydrophobicContact CE2-CB 3.96Å; F179-V196 HydrophobicContact CE2-CG1 3.45Å; F179-V196 VanDerWaalsContact CE2-CG1 3.45Å; F179-V196 HydrophobicContact CE2-CG2 4.38Å; F179-V196 HydrophobicContact CG-CB 4.39Å; V181-V196 HydrophobicContact CG2-CG1 4.13Å; Q194-V196 HydrophobicContact CB-CG1 4.24Å; V196-Y343 HydrophobicContact CG1-CD1 3.99Å; V196-F344 PolarHBondContact N-O 2.7Å; V196-V345 HydrophobicContact CG2-CB 4.07Å; V196-V345 HydrophobicContact CG2-CG1 4.17Å; V196-V345 HydrophobicContact CG2-CG2 3.69Å; V196-L346 PolarHBondContact O-N 3.45Å
197Q91.7Very high91.8Very high88 Ų8840.4 Ų40.441%0.41122%0.218SC..EExtended strand (participates in β ladder)trans-95.4104.7172.2-173.9174.219.700109.5T180 L182 L346 F347 I352T180-Q197 PolarHBondContact O-N 2.95Å; L182-Q197 HydrophobicContact CD1-CB 3.77Å; L182-Q197 HydrophobicContact CG-CB 4.33Å; Q197-L346 WeakPolarHBondContact CA-O 3.37Å; Q197-F347 PolarHBondContact NE2-O 2.95Å; Q197-I352 HydrophobicContact CB-CD1 3.98Å; Q197-I352 HydrophobicContact CG-CD1 3.86Å
198A90.5Very high92.4Very high21 Ų2139.8 Ų39.817%0.17422%0.215CC..SBendtrans-158.9167.8-176.600000112.3F179 V203 V345F179-A198 HydrophobicContact CB-CB 3.67Å; F179-A198 HydrophobicContact CG-CB 4.32Å; A198-V203 HydrophobicContact CB-CG2 4.05Å; A198-V345 HydrophobicContact CB-CG1 4.01Å; A198-V345 WeakPolarHBondContact O-CG1 3.24Å
199D91.6Very high93.3Very high85 Ų8533.2 Ų33.246%0.45519%0.186SC..  trans-77.1122159.6-176.2-22.4000108.5S201 A202D199-S201 PolarHBondContact O-N 3.47Å; D199-S201 VanDerWaalsContact O-N 3.16Å; D199-S201 WeakPolarHBondContact OD1-CB 3.21Å; D199-S201 PolarHBondContact OD1-N 3.09Å; D199-S201 PolarHBondContact OD1-OG 3.43Å; D199-S201 PolarHBondContact OD2-OG 3.02Å; D199-A202 HydrophobicContact CB-CB 4.46Å; D199-A202 PolarHBondContact O-N 3.42Å
200I92.4Very high94Very high12 Ų1229 Ų296%0.06216%0.164CC..G310 helixtrans-60.3-25.9-177.7-163.2168.4000113.3A202 V203 V208 V222 P305 V345I200-A202 PolarHBondContact O-N 3.24Å; I200-V203 PolarHBondContact O-N 3.39Å; I200-V208 HydrophobicContact CD1-CG1 3.84Å; I200-V208 HydrophobicContact CG1-CG1 3.67Å; I200-V222 HydrophobicContact CD1-CG1 4.4Å; I200-V222 HydrophobicContact CG2-CG1 4.01Å; I200-V222 HydrophobicContact CG2-CG2 4.44Å; I200-P305 HydrophobicContact CD1-CB 3.76Å; I200-P305 HydrophobicContact CD1-CG 3.9Å; I200-V345 HydrophobicContact CB-CB 4.21Å; I200-V345 HydrophobicContact CB-CG1 3.9Å; I200-V345 HydrophobicContact CD1-CB 4.28Å; I200-V345 HydrophobicContact CG1-CB 4.07Å; I200-V345 HydrophobicContact CG1-CG1 4.26Å; I200-V345 HydrophobicContact CG1-CG2 4.15Å
201S92.3Very high94.4Very high8 Ų828.1 Ų28.16%0.05615%0.15CC..G310 helixtrans-72.2-13.2175.869.90000113.8D199 A225 P262D199-S201 PolarHBondContact O-N 3.47Å; D199-S201 VanDerWaalsContact O-N 3.16Å; D199-S201 WeakPolarHBondContact OD1-CB 3.21Å; D199-S201 PolarHBondContact OD1-N 3.09Å; D199-S201 PolarHBondContact OD1-OG 3.43Å; D199-S201 PolarHBondContact OD2-OG 3.02Å; S201-A225 WeakPolarHBondContact CB-O 3.42Å; S201-P262 WeakPolarHBondContact O-CD 3.31Å
202A90.4Very high94.6Very high47 Ų4728.3 Ų28.339%0.38815%0.152SC..G310 helixtrans-105.80.6-179.900000113.5D199 I200 E204D199-A202 HydrophobicContact CB-CB 4.46Å; D199-A202 PolarHBondContact O-N 3.42Å; I200-A202 PolarHBondContact O-N 3.24Å; A202-E204 PolarHBondContact O-N 3.24Å
203V90.2Very high94.5Very high0 Ų026.2 Ų26.20%015%0.145CC..  trans-79.9122.8-176175.10000111.2F179 A198 I200 S205 A303 Y343 V345F179-V203 HydrophobicContact CD1-CG2 4.42Å; F179-V203 HydrophobicContact CE1-CG1 4.05Å; F179-V203 HydrophobicContact CZ-CG1 4.43Å; A198-V203 HydrophobicContact CB-CG2 4.05Å; I200-V203 PolarHBondContact O-N 3.39Å; V203-S205 PolarHBondContact O-N 3.15Å; V203-S205 VanDerWaalsContact O-N 3.11Å; V203-A303 HydrophobicContact CG1-CB 4.01Å; V203-Y343 HydrophobicContact CG1-CD2 4.47Å; V203-V345 HydrophobicContact CG1-CG2 4.45Å; V203-V345 HydrophobicContact CG2-CG1 3.96Å; V203-V345 HydrophobicContact CG2-CG2 3.84Å
204E92.1Very high94.4Very high126 Ų12628.8 Ų28.859%0.58916%0.163SC*.  trans-78.490.3172.1-69.5179-163.400110.1A202 P262A202-E204 PolarHBondContact O-N 3.24Å; E204-P262 HydrophobicContact CG-CB 3.89Å
205S94.8Very high94.2Very high7 Ų730.2 Ų30.25%0.04917%0.174CC..SBendtrans-135.8160.5173.263.20000109.5V203 A207 A263 S301 A303V203-S205 PolarHBondContact O-N 3.15Å; V203-S205 VanDerWaalsContact O-N 3.11Å; S205-A207 VanDerWaalsContact C-N 3.28Å; S205-A207 PolarHBondContact O-N 3.3Å; S205-A207 PolarHBondContact OG-O 3.37Å; S205-A207 VanDerWaalsContact OG-O 3.06Å; S205-A263 WeakPolarHBondContact O-CA 3.49Å; S205-A263 WeakPolarHBondContact O-CB 3.49Å; S205-S301 WeakPolarHBondContact CA-OG 3.18Å; S205-A303 WeakPolarHBondContact OG-CB 3.13Å
206D98.2Very high94.1Very high21 Ų2130.6 Ų30.611%0.11218%0.176CC..SBendtrans-65.9-34.7179.2-68.9-43.9000111.8K264 Y265 L299 K300 S301D206-K264 WeakPolarHBondContact O-CB 3.4Å; D206-K264 PolarHBondContact O-N 3.36Å; D206-K264 WeakPolarHBondContact OD1-CD 3.23Å; D206-K264 WeakPolarHBondContact OD1-CE 3.3Å; D206-K264 IonicContact OD1-NZ 2.76Å; D206-K264 PolarHBondContact OD1-NZ 2.88Å; D206-Y265 PolarHBondContact O-N 2.81Å; D206-L299 HydrophobicContact CB-CB 3.79Å; D206-L299 HydrophobicContact CB-CD1 4.3Å; D206-L299 HydrophobicContact CB-CD2 4.06Å; D206-L299 HydrophobicContact CB-CG 4.24Å; D206-K300 WeakPolarHBondContact OD2-CA 3.2Å; D206-K300 WeakPolarHBondContact OD2-CB 3.13Å; D206-K300 PolarHBondContact OD2-N 3.16Å; D206-S301 WeakPolarHBondContact CB-O 3.37Å; D206-S301 PolarHBondContact N-O 3.36Å; D206-S301 PolarHBondContact N-OG 2.95Å; D206-S301 PolarHBondContact OD2-N 3.39Å
207A98.3Very high93.9Very high0 Ų035.5 Ų35.50%020%0.195CC..EExtended strand (participates in β ladder)trans-138143.1171.300000113.6S205 Y265 I267 L299 S301 V302 A303S205-A207 VanDerWaalsContact C-N 3.28Å; S205-A207 PolarHBondContact O-N 3.3Å; S205-A207 PolarHBondContact OG-O 3.37Å; S205-A207 VanDerWaalsContact OG-O 3.06Å; A207-Y265 VanDerWaalsContact CA-O 3.3Å; A207-Y265 WeakPolarHBondContact CA-O 3.43Å; A207-I267 HydrophobicContact CB-CD1 3.7Å; A207-I267 HydrophobicContact CB-CG1 4.07Å; A207-L299 HydrophobicContact CB-CD1 3.44Å; A207-L299 VanDerWaalsContact CB-CD1 3.44Å; A207-S301 PolarHBondContact N-O 3.17Å; A207-S301 VanDerWaalsContact N-O 3.1Å; A207-V302 HydrophobicContact CB-CG1 4.4Å; A207-V302 CarbonylContact O-C 3.6Å; A207-V302 VanDerWaalsContact O-CA 3.31Å; A207-V302 WeakPolarHBondContact O-CA 3.44Å; A207-A303 PolarHBondContact O-N 2.93Å
208V98.1Very high93.8Very high2 Ų232.5 Ų32.51%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-107.6138.2168166.80000109.8I200 L226 A263 Y265 V266 I267 A303I200-V208 HydrophobicContact CD1-CG1 3.84Å; I200-V208 HydrophobicContact CG1-CG1 3.67Å; V208-L226 HydrophobicContact CG1-CD1 4.34Å; V208-L226 HydrophobicContact CG1-CD2 4.07Å; V208-A263 HydrophobicContact CB-CB 4.24Å; V208-A263 HydrophobicContact CG2-CB 3.61Å; V208-Y265 PolarHBondContact N-O 2.96Å; V208-Y265 VanDerWaalsContact N-O 3.07Å; V208-V266 CarbonylContact O-C 3.51Å; V208-V266 WeakPolarHBondContact O-CA 3.47Å; V208-I267 PolarHBondContact O-N 2.93Å; V208-A303 HydrophobicContact CG2-CB 4.03Å
209V98.3Very high93.6Very high0 Ų032 Ų320%018%0.181CC..EExtended strand (participates in β ladder)trans-89.6128.7175.9-177.90000110.6P211 I267 C290 V302 A303 F304 P305 I307V209-P211 WeakPolarHBondContact O-CD 3.33Å; V209-I267 CarbonylContact C-O 3.52Å; V209-I267 WeakPolarHBondContact CA-O 3.43Å; V209-I267 HydrophobicContact CG2-CB 4.33Å; V209-C290 HydrophobicContact CG2-CB 4.37Å; V209-V302 HydrophobicContact CG2-CG1 3.83Å; V209-A303 PolarHBondContact N-O 3.46Å; V209-F304 HydrophobicContact CB-CD1 4.27Å; V209-F304 HydrophobicContact CG1-CD1 4.4Å; V209-F304 HydrophobicContact CG1-CE1 4.47Å; V209-F304 HydrophobicContact CG2-CD1 3.85Å; V209-F304 HydrophobicContact CG2-CD2 4.15Å; V209-F304 HydrophobicContact CG2-CE1 3.76Å; V209-F304 HydrophobicContact CG2-CE2 4.09Å; V209-F304 HydrophobicContact CG2-CG 4.04Å; V209-F304 HydrophobicContact CG2-CZ 3.89Å; V209-P305 WeakPolarHBondContact O-CD 3.35Å; V209-I307 HydrophobicContact CG1-CD1 3.84Å
210H97.4Very high93.3Very high0 Ų029 Ų290%017%0.169CC..EExtended strand (participates in β ladder)trans-113100176.5173.8-152.7000110T212 Y217 G223 L226 V266 I267 H268 C269H210-T212 PolarHBondContact O-N 2.96Å; H210-Y217 PolarHBondContact CE1-O 3.26Å; H210-G223 WeakPolarHBondContact NE2-CA 3.4Å; H210-L226 HydrophobicContact CB-CD1 3.7Å; H210-V266 HydrophobicContact CB-CG1 3.69Å; H210-I267 PolarHBondContact N-O 3.04Å; H210-H268 AromaticContact CG-ND1 3.63Å; H210-H268 AromaticContact ND1-CE1 3.61Å; H210-H268 AromaticContact ND1-ND1 3.01Å; H210-H268 PolarHBondContact ND1-ND1 3.46Å; H210-H268 WeakPolarHBondContact O-CA 3.17Å; H210-C269 PolarHBondContact O-N 2.91Å
211P96.2Very high93.1Very high32 Ų3236.4 Ų36.421%0.20820%0.204CC..EExtended strand (participates in β ladder)trans-66.2121.3170.7-19.933.6000110.4V209 P305 I307V209-P211 WeakPolarHBondContact O-CD 3.33Å; P211-P305 HydrophobicContact CG-CG 3.59Å; P211-I307 HydrophobicContact CB-CG2 4.27Å; P211-I307 HydrophobicContact CG-CB 4.39Å; P211-I307 HydrophobicContact CG-CG1 4.01Å; P211-I307 HydrophobicContact CG-CG2 4.23Å
212T95.3Very high93.2Very high12 Ų1237.2 Ų37.27%0.07421%0.209CC..EExtended strand (participates in β ladder)trans-135.8-166.4-177.8-170.30000110.4H210 L216 Y217 L248 H268 C269H210-T212 PolarHBondContact O-N 2.96Å; T212-L216 HydrophobicContact CG2-CD2 3.81Å; T212-L216 WeakPolarHBondContact OG1-CA 3.38Å; T212-Y217 PolarHBondContact OG1-N 2.94Å; T212-Y217 PolarHBondContact OG1-O 3.44Å; T212-L248 HydrophobicContact CG2-CD2 4.43Å; T212-H268 HydrophobicContact CG2-CB 4.18Å; T212-C269 PolarHBondContact N-O 3.46Å
213N94Very high93.3Very high58 Ų5835 Ų3531%0.3119%0.19SC..  trans-119-173.8176.866.721.1000111.1T215 L216 Y217N213-T215 PolarHBondContact O-N 2.7Å; N213-T215 WeakPolarHBondContact OD1-CA 3.48Å; N213-T215 PolarHBondContact OD1-N 2.92Å; N213-T215 PolarHBondContact OD1-OG1 3.42Å; N213-L216 PolarHBondContact O-N 3.09Å; N213-L216 VanDerWaalsContact O-N 3.09Å; N213-L216 PolarHBondContact OD1-N 2.78Å; N213-Y217 WeakPolarHBondContact ND2-CB 3.37Å; N213-Y217 WeakPolarHBondContact OD1-CB 3.35Å; N213-Y217 PolarHBondContact OD1-N 3.18Å
214S94.3Very high93.5Very high53 Ų5338.1 Ų38.137%0.37121%0.212SC..THydrogen-bonded Turntrans-57.8-18.6179.2580000114.7P247 L248 N270S214-P247 CarbonylContact O-C 3.52Å; S214-P247 WeakPolarHBondContact O-CA 2.98Å; S214-L248 VanDerWaalsContact CA-O 3.31Å; S214-L248 WeakPolarHBondContact CA-O 3.23Å; S214-L248 WeakPolarHBondContact CB-O 3.33Å; S214-L248 PolarHBondContact O-N 3.48Å; S214-N270 PolarHBondContact N-ND2 3.07Å
215T93.1Very high93.7Very high62 Ų6233 Ų3338%0.3819%0.192SC..THydrogen-bonded Turntrans-102.68.9-177.966.20000114.1N213 Y217 K242N213-T215 PolarHBondContact O-N 2.7Å; N213-T215 WeakPolarHBondContact OD1-CA 3.48Å; N213-T215 PolarHBondContact OD1-N 2.92Å; N213-T215 PolarHBondContact OD1-OG1 3.42Å; T215-Y217 PolarHBondContact O-N 2.84Å; T215-K242 WeakPolarHBondContact O-CD 3.39Å; T215-K242 PolarHBondContact O-NZ 3.1Å
216L92.5Very high93.7Very high8 Ų832.7 Ų32.74%0.04219%0.189CC..  trans54.338.1-175-63.3178.9000113T212 N213 S218 L238 L241 K242 L248 L254 H268T212-L216 HydrophobicContact CG2-CD2 3.81Å; T212-L216 WeakPolarHBondContact OG1-CA 3.38Å; N213-L216 PolarHBondContact O-N 3.09Å; N213-L216 VanDerWaalsContact O-N 3.09Å; N213-L216 PolarHBondContact OD1-N 2.78Å; L216-S218 PolarHBondContact O-N 2.78Å; L216-L238 HydrophobicContact CB-CD2 4.28Å; L216-L241 HydrophobicContact CD1-CB 4.01Å; L216-L241 HydrophobicContact CD1-CD2 3.65Å; L216-L241 HydrophobicContact CD1-CG 3.78Å; L216-K242 HydrophobicContact CD1-CB 4.08Å; L216-L248 HydrophobicContact CD2-CB 4.41Å; L216-L248 HydrophobicContact CD2-CD2 3.89Å; L216-L254 HydrophobicContact CD1-CD1 4.45Å; L216-H268 HydrophobicContact CD2-CB 3.94Å
217Y90.4Very high93.6Very high104 Ų10435.2 Ų35.241%0.40820%0.2SC..  trans-59130.5177.6171.1-103.3000112.4H210 T212 N213 T215 G219 R311H210-Y217 PolarHBondContact CE1-O 3.26Å; T212-Y217 PolarHBondContact OG1-N 2.94Å; T212-Y217 PolarHBondContact OG1-O 3.44Å; N213-Y217 WeakPolarHBondContact ND2-CB 3.37Å; N213-Y217 WeakPolarHBondContact OD1-CB 3.35Å; N213-Y217 PolarHBondContact OD1-N 3.18Å; T215-Y217 PolarHBondContact O-N 2.84Å; Y217-G219 VanDerWaalsContact CE1-C 3.4Å; Y217-G219 WeakPolarHBondContact OH-CA 3.35Å; Y217-R311 PolarHBondContact OH-NH1 3.5Å
218S88.6Confident93.4Very high25 Ų2544.3 Ų44.318%0.17524%0.24CC..  trans-96.815.4-175.259.40000115.1L216 G223 S224 E227L216-S218 PolarHBondContact O-N 2.78Å; S218-G223 CarbonylContact O-C 3.59Å; S218-G223 WeakPolarHBondContact O-CA 3.26Å; S218-G223 VanDerWaalsContact O-O 3.07Å; S218-S224 PolarHBondContact O-N 2.53Å; S218-E227 VanDerWaalsContact CB-OE2 3.3Å; S218-E227 WeakPolarHBondContact CB-OE2 3.46Å; S218-E227 PolarHBondContact OG-OE2 3.49Å
219G86.5Confident93.2Very high11 Ų1149.8 Ų49.811%0.11326%0.264CS..  trans-100.4-169.4176.400000114.1Y217Y217-G219 VanDerWaalsContact CE1-C 3.4Å; Y217-G219 WeakPolarHBondContact OH-CA 3.35Å
220G85.6Confident93Very high20 Ų2050.1 Ų50.121%0.20627%0.267CS..Hα-helixtrans83.2-178.4-169.500000110.8S224 R311G220-S224 WeakPolarHBondContact O-CB 3.48Å; G220-S224 PolarHBondContact O-N 3.24Å; G220-S224 PolarHBondContact O-OG 2.77Å; G220-S224 VanDerWaalsContact O-OG 3.07Å; G220-R311 VanDerWaalsContact N-NH1 3.18Å
221E88.9Confident92.8Very high169 Ų16951.6 Ų51.679%0.7928%0.282SS*.Hα-helixtrans-61.4-52.6-171.2-65.5177.4-178.100112.4A225E221-A225 WeakPolarHBondContact O-CB 3.43Å; E221-A225 PolarHBondContact O-N 3.32Å
222V93.8Very high92.7Very high25 Ų2557.9 Ų57.915%0.15231%0.306CS..Hα-helixtrans-70.3-50.2-179.9177.60000111I200 S224 A225 L226 P305I200-V222 HydrophobicContact CD1-CG1 4.4Å; I200-V222 HydrophobicContact CG2-CG1 4.01Å; I200-V222 HydrophobicContact CG2-CG2 4.44Å; V222-S224 PolarHBondContact O-N 3.45Å; V222-A225 PolarHBondContact O-N 3.06Å; V222-L226 HydrophobicContact CG1-CD1 3.86Å; V222-L226 HydrophobicContact CG1-CG 4.25Å; V222-L226 WeakPolarHBondContact O-CG 3.42Å; V222-L226 PolarHBondContact O-N 3.03Å; V222-P305 HydrophobicContact CG2-CB 3.61Å; V222-P305 HydrophobicContact CG2-CG 3.87Å
223G93.8Very high92.6Very high1 Ų162.9 Ų62.91%0.0133%0.329CS..Hα-helixtrans-57.1-48.2-17800000112.2H210 S218 A225 L226 E227H210-G223 WeakPolarHBondContact NE2-CA 3.4Å; S218-G223 CarbonylContact O-C 3.59Å; S218-G223 WeakPolarHBondContact O-CA 3.26Å; S218-G223 VanDerWaalsContact O-O 3.07Å; G223-A225 VanDerWaalsContact C-N 3.33Å; G223-A225 PolarHBondContact O-N 3.46Å; G223-L226 PolarHBondContact O-N 3.12Å; G223-E227 WeakPolarHBondContact O-CB 3.44Å; G223-E227 PolarHBondContact O-N 2.67Å
224S94.4Very high92.6Very high64 Ų6460.1 Ų60.145%0.44831%0.314SS..Hα-helixtrans-67.4-32-179.6-64.50000112.8S218 G220 V222 K228S218-S224 PolarHBondContact O-N 2.53Å; G220-S224 WeakPolarHBondContact O-CB 3.48Å; G220-S224 PolarHBondContact O-N 3.24Å; G220-S224 PolarHBondContact O-OG 2.77Å; G220-S224 VanDerWaalsContact O-OG 3.07Å; V222-S224 PolarHBondContact O-N 3.45Å; S224-K228 WeakPolarHBondContact O-CB 3.32Å; S224-K228 PolarHBondContact O-N 3.37Å
225A94.6Very high92.6Very high20 Ų2059.1 Ų59.117%0.16531%0.306CS..Hα-helixtrans-66.7-45.1173.200000111.6S201 E221 V222 G223 K228 K229S201-A225 WeakPolarHBondContact CB-O 3.42Å; E221-A225 WeakPolarHBondContact O-CB 3.43Å; E221-A225 PolarHBondContact O-N 3.32Å; V222-A225 PolarHBondContact O-N 3.06Å; G223-A225 VanDerWaalsContact C-N 3.33Å; G223-A225 PolarHBondContact O-N 3.46Å; A225-K228 PolarHBondContact O-N 3.23Å; A225-K229 WeakPolarHBondContact O-CB 3.35Å; A225-K229 PolarHBondContact O-N 2.96Å; A225-K229 VanDerWaalsContact O-N 3.16Å
226L95.6Very high92.6Very high0 Ų061.6 Ų61.60%031%0.313CS..Hα-helixtrans-66.1-43.9177.8-62.8178.3000111.9V208 H210 V222 G223 K229 G230 F234 L261 V266V208-L226 HydrophobicContact CG1-CD1 4.34Å; V208-L226 HydrophobicContact CG1-CD2 4.07Å; H210-L226 HydrophobicContact CB-CD1 3.7Å; V222-L226 HydrophobicContact CG1-CD1 3.86Å; V222-L226 HydrophobicContact CG1-CG 4.25Å; V222-L226 WeakPolarHBondContact O-CG 3.42Å; V222-L226 PolarHBondContact O-N 3.03Å; G223-L226 PolarHBondContact O-N 3.12Å; L226-K229 PolarHBondContact O-N 2.89Å; L226-G230 PolarHBondContact O-N 3.25Å; L226-F234 HydrophobicContact CB-CE1 4.03Å; L226-F234 HydrophobicContact CB-CE2 4.21Å; L226-F234 HydrophobicContact CB-CZ 3.74Å; L226-F234 HydrophobicContact CD1-CZ 4.25Å; L226-L261 HydrophobicContact CD2-CD1 3.82Å; L226-L261 HydrophobicContact CD2-CD2 3.9Å; L226-V266 HydrophobicContact CD1-CG1 4.17Å
227E95.2Very high92.7Very high74 Ų7461.7 Ų61.735%0.34632%0.315SS..Hα-helixtrans-63.1-43.2177.1179.8171.916700111.8S218 G223 K229 G231 F234 T235S218-E227 VanDerWaalsContact CB-OE2 3.3Å; S218-E227 WeakPolarHBondContact CB-OE2 3.46Å; S218-E227 PolarHBondContact OG-OE2 3.49Å; G223-E227 WeakPolarHBondContact O-CB 3.44Å; G223-E227 PolarHBondContact O-N 2.67Å; E227-K229 VanDerWaalsContact C-N 3.26Å; E227-K229 PolarHBondContact O-N 3.14Å; E227-G231 WeakPolarHBondContact O-CA 3.36Å; E227-G231 PolarHBondContact O-N 3.17Å; E227-F234 HydrophobicContact CB-CD1 4.18Å; E227-F234 HydrophobicContact CB-CE1 4.24Å; E227-T235 HydrophobicContact CG-CG2 3.59Å
228K95Very high92.8Very high191 Ų19157.1 Ų57.183%0.8330%0.298SS*.Hα-helixtrans-61-36.1177.1-178.3-178.4176.8-173.10112.3S224 A225S224-K228 WeakPolarHBondContact O-CB 3.32Å; S224-K228 PolarHBondContact O-N 3.37Å; A225-K228 PolarHBondContact O-N 3.23Å
229K94.8Very high93Very high117 Ų11761.3 Ų61.351%0.50931%0.314SS..Hα-helixtrans-87.3-45.8-176.5-171.371.2177.6-173.90112.8A225 L226 E227 L261A225-K229 WeakPolarHBondContact O-CB 3.35Å; A225-K229 PolarHBondContact O-N 2.96Å; A225-K229 VanDerWaalsContact O-N 3.16Å; L226-K229 PolarHBondContact O-N 2.89Å; E227-K229 VanDerWaalsContact C-N 3.26Å; E227-K229 PolarHBondContact O-N 3.14Å; K229-L261 HydrophobicContact CB-CD2 3.76Å; K229-L261 HydrophobicContact CG-CD2 3.82Å
230G93.1Very high93.4Very high7 Ų767.3 Ų67.37%0.07234%0.34CS..Hα-helixtrans-77.9-18.4179.900000114L226 F259L226-G230 PolarHBondContact O-N 3.25Å; G230-F259 WeakPolarHBondContact CA-O 3.46Å
231G93.9Very high93.8Very high31 Ų3167.2 Ų67.232%0.3233%0.334SS..Hα-helixtrans63.7-148.2173.900000113.4E227 E233 F234 T235E227-G231 WeakPolarHBondContact O-CA 3.36Å; E227-G231 PolarHBondContact O-N 3.17Å; G231-E233 PolarHBondContact O-N 3.33Å; G231-F234 PolarHBondContact O-N 3.39Å; G231-T235 PolarHBondContact O-N 3.16Å
232K93.6Very high94Very high163 Ų16363.8 Ų63.871%0.70932%0.317SS*.Hα-helixtrans-61.7-41-174.2-70.7-172.9177.9-176.10112.9F234 T235 E236K232-F234 VanDerWaalsContact C-N 3.3Å; K232-F234 PolarHBondContact O-N 2.93Å; K232-T235 WeakPolarHBondContact CA-OG1 3.45Å; K232-T235 PolarHBondContact O-N 3.23Å; K232-T235 VanDerWaalsContact O-N 3.07Å; K232-T235 PolarHBondContact O-OG1 3.16Å; K232-E236 WeakPolarHBondContact O-CG 2.92Å; K232-E236 PolarHBondContact O-N 3.41Å
233E93.1Very high93.9Very high118 Ų11871 Ų7155%0.55135%0.346SS*.Hα-helixtrans-58.8-42.6-178.6-63.3-178.8-178.100111.6G231 E236 A237 F259G231-E233 PolarHBondContact O-N 3.33Å; E233-E236 PolarHBondContact O-N 3.49Å; E233-A237 VanDerWaalsContact O-CB 3.32Å; E233-A237 WeakPolarHBondContact O-CB 3.3Å; E233-A237 PolarHBondContact O-N 2.95Å; E233-F259 HydrophobicContact CB-CB 3.86Å; E233-F259 HydrophobicContact CB-CD1 4.44Å; E233-F259 HydrophobicContact CB-CG 4.39Å
234F94.7Very high94Very high0 Ų079 Ų790%038%0.381CS..Hα-helixtrans-61.9-44.2175177-100000112.3L226 E227 G231 K232 A237 L238 F259 L261 V266 H268L226-F234 HydrophobicContact CB-CE1 4.03Å; L226-F234 HydrophobicContact CB-CE2 4.21Å; L226-F234 HydrophobicContact CB-CZ 3.74Å; L226-F234 HydrophobicContact CD1-CZ 4.25Å; E227-F234 HydrophobicContact CB-CD1 4.18Å; E227-F234 HydrophobicContact CB-CE1 4.24Å; G231-F234 PolarHBondContact O-N 3.39Å; K232-F234 VanDerWaalsContact C-N 3.3Å; K232-F234 PolarHBondContact O-N 2.93Å; F234-A237 PolarHBondContact O-N 3.13Å; F234-L238 HydrophobicContact CD1-CD1 4.12Å; F234-L238 HydrophobicContact CE1-CD1 3.53Å; F234-L238 HydrophobicContact CE1-CG 4.43Å; F234-L238 HydrophobicContact CZ-CD1 3.77Å; F234-L238 HydrophobicContact CZ-CG 4.39Å; F234-L238 PolarHBondContact O-N 3.3Å; F234-L238 VanDerWaalsContact O-N 3.13Å; F234-F259 HydrophobicContact CB-CB 4.48Å; F234-L261 HydrophobicContact CD2-CD1 4.38Å; F234-L261 HydrophobicContact CE2-CD1 4.48Å; F234-V266 HydrophobicContact CE2-CB 4.46Å; F234-V266 HydrophobicContact CE2-CG1 4.28Å; F234-V266 HydrophobicContact CE2-CG2 4.11Å; F234-H268 AromaticContact CE2-CE1 3.98Å
235T93.2Very high93.9Very high31 Ų3179.9 Ų79.919%0.1938%0.38CS..Hα-helixtrans-68.2-38.2179.558.50000113.1E227 G231 K232 L238 Q239E227-T235 HydrophobicContact CG-CG2 3.59Å; G231-T235 PolarHBondContact O-N 3.16Å; K232-T235 WeakPolarHBondContact CA-OG1 3.45Å; K232-T235 PolarHBondContact O-N 3.23Å; K232-T235 VanDerWaalsContact O-N 3.07Å; K232-T235 PolarHBondContact O-OG1 3.16Å; T235-L238 PolarHBondContact O-N 3.23Å; T235-Q239 WeakPolarHBondContact O-CG 3.47Å; T235-Q239 PolarHBondContact O-N 3.41Å; T235-Q239 VanDerWaalsContact O-N 3.11Å
236E94.3Very high93.7Very high114 Ų11480.1 Ų80.153%0.53339%0.385SS..Hα-helixtrans-67.2-41.9177.2-72.7173.1-175.200110.7K232 E233 L238 Q239 E240K232-E236 WeakPolarHBondContact O-CG 2.92Å; K232-E236 PolarHBondContact O-N 3.41Å; E233-E236 PolarHBondContact O-N 3.49Å; E236-L238 VanDerWaalsContact C-N 3.33Å; E236-L238 PolarHBondContact O-N 2.88Å; E236-Q239 WeakPolarHBondContact O-CB 3.46Å; E236-Q239 PolarHBondContact O-N 2.95Å; E236-Q239 VanDerWaalsContact O-N 3.13Å; E236-E240 PolarHBondContact O-N 3.47Å
237A93.7Very high93.6Very high11 Ų1185.3 Ų85.39%0.09142%0.418CS..Hα-helixtrans-60.1-40174.800000112.8E233 F234 E240 L241 F259E233-A237 VanDerWaalsContact O-CB 3.32Å; E233-A237 WeakPolarHBondContact O-CB 3.3Å; E233-A237 PolarHBondContact O-N 2.95Å; F234-A237 PolarHBondContact O-N 3.13Å; A237-E240 PolarHBondContact O-N 2.91Å; A237-L241 VanDerWaalsContact O-CB 3.28Å; A237-L241 WeakPolarHBondContact O-CB 3.28Å; A237-L241 PolarHBondContact O-N 3.45Å; A237-F259 HydrophobicContact CB-CD2 3.42Å; A237-F259 VanDerWaalsContact CB-CD2 3.42Å; A237-F259 HydrophobicContact CB-CE2 3.29Å; A237-F259 HydrophobicContact CB-CG 4.38Å; A237-F259 HydrophobicContact CB-CZ 4.16Å
238L93.4Very high93.6Very high8 Ų882.5 Ų82.54%0.04241%0.405CS..Hα-helixtrans-64.8-40.2174.1-78.6177000112.4L216 F234 T235 E236 L241 K242 H268L216-L238 HydrophobicContact CB-CD2 4.28Å; F234-L238 HydrophobicContact CD1-CD1 4.12Å; F234-L238 HydrophobicContact CE1-CD1 3.53Å; F234-L238 HydrophobicContact CE1-CG 4.43Å; F234-L238 HydrophobicContact CZ-CD1 3.77Å; F234-L238 HydrophobicContact CZ-CG 4.39Å; F234-L238 PolarHBondContact O-N 3.3Å; F234-L238 VanDerWaalsContact O-N 3.13Å; T235-L238 PolarHBondContact O-N 3.23Å; E236-L238 VanDerWaalsContact C-N 3.33Å; E236-L238 PolarHBondContact O-N 2.88Å; L238-L241 PolarHBondContact O-N 3.4Å; L238-K242 WeakPolarHBondContact O-CB 3.07Å; L238-K242 PolarHBondContact O-N 3.49Å; L238-H268 WeakPolarHBondContact CD2-CE1 3.4Å; L238-H268 WeakPolarHBondContact CD2-NE2 3.32Å
239Q92.8Very high93.6Very high112 Ų11281.1 Ų81.152%0.52340%0.402SS..Hα-helixtrans-65.9-41.9176.7-70.818012.700111.9T235 E236 K242 K243T235-Q239 WeakPolarHBondContact O-CG 3.47Å; T235-Q239 PolarHBondContact O-N 3.41Å; T235-Q239 VanDerWaalsContact O-N 3.11Å; E236-Q239 WeakPolarHBondContact O-CB 3.46Å; E236-Q239 PolarHBondContact O-N 2.95Å; E236-Q239 VanDerWaalsContact O-N 3.13Å; Q239-K242 PolarHBondContact O-N 2.97Å; Q239-K243 WeakPolarHBondContact O-CG 3.43Å; Q239-K243 PolarHBondContact O-N 3.09Å
240E94.3Very high93.7Very high138 Ų13878.9 Ų78.965%0.64540%0.398SS*.Hα-helixtrans-64.5-45.9175.7-169.9-177.4172.700111.2E236 A237 K242 K243 K244E236-E240 PolarHBondContact O-N 3.47Å; A237-E240 PolarHBondContact O-N 2.91Å; E240-K242 VanDerWaalsContact C-N 3.29Å; E240-K242 PolarHBondContact O-N 3.3Å; E240-K243 PolarHBondContact O-N 3.48Å; E240-K243 VanDerWaalsContact O-N 3.12Å; E240-K244 WeakPolarHBondContact O-CB 3.39Å; E240-K244 PolarHBondContact O-N 2.94Å
241L93.6Very high93.9Very high18 Ų1878.6 Ų78.69%0.09440%0.395CS..Hα-helixtrans-58.5-42.7176.7-173.368.2000111.2L216 A237 L238 K244 N245 L254 T256L216-L241 HydrophobicContact CD1-CB 4.01Å; L216-L241 HydrophobicContact CD1-CD2 3.65Å; L216-L241 HydrophobicContact CD1-CG 3.78Å; A237-L241 VanDerWaalsContact O-CB 3.28Å; A237-L241 WeakPolarHBondContact O-CB 3.28Å; A237-L241 PolarHBondContact O-N 3.45Å; L238-L241 PolarHBondContact O-N 3.4Å; L241-K244 PolarHBondContact O-N 2.93Å; L241-N245 WeakPolarHBondContact O-CB 2.91Å; L241-N245 PolarHBondContact O-N 2.89Å; L241-L254 HydrophobicContact CD1-CB 4.36Å; L241-L254 HydrophobicContact CD1-CD1 4.32Å; L241-L254 HydrophobicContact CD2-CB 3.69Å; L241-L254 HydrophobicContact CD2-CD1 4.02Å; L241-L254 HydrophobicContact CG-CB 4.4Å; L241-L254 HydrophobicContact CG-CD1 4.05Å; L241-T256 HydrophobicContact CB-CG2 4.12Å; L241-T256 HydrophobicContact CD1-CG2 4.41Å; L241-T256 HydrophobicContact CD2-CG2 3.53Å; L241-T256 HydrophobicContact CG-CG2 4.22Å
242K92.6Very high94Very high96 Ų9677.8 Ų77.842%0.41739%0.387SS..Hα-helixtrans-62-43.3175.5-174-179.6-177.1172.10112.3T215 L216 L238 Q239 E240 K244 G246T215-K242 WeakPolarHBondContact O-CD 3.39Å; T215-K242 PolarHBondContact O-NZ 3.1Å; L216-K242 HydrophobicContact CD1-CB 4.08Å; L238-K242 WeakPolarHBondContact O-CB 3.07Å; L238-K242 PolarHBondContact O-N 3.49Å; Q239-K242 PolarHBondContact O-N 2.97Å; E240-K242 VanDerWaalsContact C-N 3.29Å; E240-K242 PolarHBondContact O-N 3.3Å; K242-K244 VanDerWaalsContact C-N 3.32Å; K242-G246 WeakPolarHBondContact O-CA 3.29Å; K242-G246 PolarHBondContact O-N 3.3Å
243K93.3Very high94.2Very high177 Ų17771 Ų7177%0.7736%0.361SS*.Hα-helixtrans-64.7-37.7177.5-73.4171.9-176.5175.40111.7Q239 E240Q239-K243 WeakPolarHBondContact O-CG 3.43Å; Q239-K243 PolarHBondContact O-N 3.09Å; E240-K243 PolarHBondContact O-N 3.48Å; E240-K243 VanDerWaalsContact O-N 3.12Å
244K94.8Very high94.4Very high170 Ų17066.7 Ų66.774%0.73934%0.341SS*.Hα-helixtrans-76.1-43.5-177-175.7179.4178.9176.60113.4E240 L241 K242E240-K244 WeakPolarHBondContact O-CB 3.39Å; E240-K244 PolarHBondContact O-N 2.94Å; L241-K244 PolarHBondContact O-N 2.93Å; K242-K244 VanDerWaalsContact C-N 3.32Å
245N91.4Very high94.5Very high82 Ų8268.4 Ų68.444%0.43935%0.351SS..Hα-helixtrans-103.1-13.5-170.2-73.272.1000113.5L241 L254L241-N245 WeakPolarHBondContact O-CB 2.91Å; L241-N245 PolarHBondContact O-N 2.89Å; N245-L254 HydrophobicContact CB-CD1 3.78Å; N245-L254 HydrophobicContact CB-CD2 4.42Å; N245-L254 WeakPolarHBondContact ND2-CD2 3.4Å
246G91.4Very high94.7Very high25 Ų2567.6 Ų67.626%0.25835%0.345SS..  trans70.7-160-173.100000112.5K242K242-G246 WeakPolarHBondContact O-CA 3.29Å; K242-G246 PolarHBondContact O-N 3.3Å
247P93.3Very high94.8Very high109 Ų10963.1 Ų63.171%0.70833%0.33SS*.SBendtrans-64.1134.7179.9-20.532.8000112.5S214 E249S214-P247 CarbonylContact O-C 3.52Å; S214-P247 WeakPolarHBondContact O-CA 2.98Å; P247-E249 PolarHBondContact O-N 3.17Å
248L94.9Very high94.6Very high14 Ų1463 Ų637%0.07333%0.33CS..PPolyproline II helixtrans-78.4120.5176.7-173.756.2000110.6T212 S214 L216 L254 N270T212-L248 HydrophobicContact CG2-CD2 4.43Å; S214-L248 VanDerWaalsContact CA-O 3.31Å; S214-L248 WeakPolarHBondContact CA-O 3.23Å; S214-L248 WeakPolarHBondContact CB-O 3.33Å; S214-L248 PolarHBondContact O-N 3.48Å; L216-L248 HydrophobicContact CD2-CB 4.41Å; L216-L248 HydrophobicContact CD2-CD2 3.89Å; L248-L254 HydrophobicContact CD1-CD1 3.91Å; L248-L254 HydrophobicContact CD1-CG 3.79Å; L248-N270 HydrophobicContact CB-CB 4.34Å; L248-N270 HydrophobicContact CD2-CB 3.82Å; L248-N270 HydrophobicContact CG-CB 3.79Å; L248-N270 PolarHBondContact O-ND2 2.83Å
249E95.9Very high94.3Very high162 Ų16266.6 Ų66.676%0.75735%0.345SS*.PPolyproline II helixtrans-64.1156.5176.2-63-172.5166.800112.3P247 A251 G252 N270P247-E249 PolarHBondContact O-N 3.17Å; E249-A251 PolarHBondContact O-N 3.43Å; E249-G252 WeakPolarHBondContact O-CA 3.4Å; E249-G252 PolarHBondContact O-N 3.39Å; E249-N270 WeakPolarHBondContact O-CB 3.49Å; E249-N270 PolarHBondContact O-ND2 3.09Å
250V96.6Very high94Very high70 Ų7063.8 Ų63.842%0.42435%0.346SS..THydrogen-bonded Turntrans-62136.7176.7-175.20000109.8G252 P272 M282V250-G252 PolarHBondContact O-N 3.42Å; V250-P272 HydrophobicContact CG1-CB 3.89Å; V250-M282 HydrophobicContact CB-CE 3.84Å; V250-M282 HydrophobicContact CG1-CE 3.65Å; V250-M282 VanDerWaalsContact O-CE 3.31Å; V250-M282 WeakPolarHBondContact O-CE 3.44Å
251A97Very high94Very high1 Ų158.1 Ų58.11%0.00832%0.32CS..THydrogen-bonded Turntrans63.43-168.300000115.6E249 N270 M282 K285 T286 N289E249-A251 PolarHBondContact O-N 3.43Å; A251-N270 WeakPolarHBondContact CA-O 3.41Å; A251-N270 PolarHBondContact N-O 2.88Å; A251-M282 HydrophobicContact CB-CE 3.68Å; A251-M282 WeakPolarHBondContact CB-O 3.4Å; A251-M282 HydrophobicContact CB-SD 4.41Å; A251-K285 HydrophobicContact CB-CB 4.03Å; A251-K285 HydrophobicContact CB-CD 4.05Å; A251-K285 HydrophobicContact CB-CG 4Å; A251-T286 VanDerWaalsContact CA-OG1 3.27Å; A251-T286 WeakPolarHBondContact CA-OG1 3.45Å; A251-T286 WeakPolarHBondContact CB-OG1 3.19Å; A251-N289 PolarHBondContact O-ND2 3Å
252G96.8Very high94Very high15 Ų1560.1 Ų60.116%0.15533%0.334CS..  trans-67.2152.2170.900000111.9E249 V250 C269 N270E249-G252 WeakPolarHBondContact O-CA 3.4Å; E249-G252 PolarHBondContact O-N 3.39Å; V250-G252 PolarHBondContact O-N 3.42Å; G252-C269 WeakPolarHBondContact O-CA 3.36Å; G252-N270 PolarHBondContact O-N 3.24Å
253A97.8Very high94.1Very high19 Ų1955.7 Ų55.716%0.15732%0.315CS..EExtended strand (participates in β ladder)trans-134.9145.417300000110.7I267 H268 C269 N289 L293A253-I267 HydrophobicContact CB-CG2 4.24Å; A253-H268 CarbonylContact C-O 3.53Å; A253-H268 WeakPolarHBondContact CA-O 3.42Å; A253-C269 HydrophobicContact CB-CB 4.24Å; A253-N289 HydrophobicContact CB-CB 4.15Å; A253-L293 HydrophobicContact CB-CD1 3.49Å; A253-L293 VanDerWaalsContact CB-CD1 3.49Å
254L97.6Very high94.2Very high28 Ų2853.5 Ų53.515%0.14731%0.306CS..EExtended strand (participates in β ladder)trans-136.6158.4176.9-68.5175.3000109.8L216 L241 N245 L248 I267 H268L216-L254 HydrophobicContact CD1-CD1 4.45Å; L241-L254 HydrophobicContact CD1-CB 4.36Å; L241-L254 HydrophobicContact CD1-CD1 4.32Å; L241-L254 HydrophobicContact CD2-CB 3.69Å; L241-L254 HydrophobicContact CD2-CD1 4.02Å; L241-L254 HydrophobicContact CG-CB 4.4Å; L241-L254 HydrophobicContact CG-CD1 4.05Å; N245-L254 HydrophobicContact CB-CD1 3.78Å; N245-L254 HydrophobicContact CB-CD2 4.42Å; N245-L254 WeakPolarHBondContact ND2-CD2 3.4Å; L248-L254 HydrophobicContact CD1-CD1 3.91Å; L248-L254 HydrophobicContact CD1-CG 3.79Å; L254-I267 CarbonylContact O-C 3.54Å; L254-I267 WeakPolarHBondContact O-CA 3.47Å; L254-H268 PolarHBondContact N-O 2.8Å; L254-H268 PolarHBondContact O-N 3.19Å
255L96.5Very high94.4Very high37 Ų3749.2 Ų49.219%0.19429%0.286CS..EExtended strand (participates in β ladder)trans-121.3136.7-174.8-168.886000111.2Y265 V266 I267 K297L255-Y265 HydrophobicContact CD1-CD1 4.46Å; L255-Y265 HydrophobicContact CD1-CG 4.3Å; L255-Y265 HydrophobicContact CD2-CD1 3.76Å; L255-Y265 HydrophobicContact CD2-CE1 4.21Å; L255-Y265 HydrophobicContact CD2-CG 4.24Å; L255-Y265 HydrophobicContact CG-CD1 4.1Å; L255-Y265 HydrophobicContact CG-CG 4.44Å; L255-V266 WeakPolarHBondContact CA-O 3.42Å; L255-I267 HydrophobicContact CD1-CB 4.5Å; L255-I267 HydrophobicContact CD1-CD1 4.43Å; L255-I267 HydrophobicContact CD1-CG1 3.45Å; L255-I267 VanDerWaalsContact CD1-CG1 3.45Å; L255-K297 HydrophobicContact CD2-CD 4.02Å; L255-K297 VanDerWaalsContact CD2-CE 3.4Å; L255-K297 HydrophobicContact CD2-CG 3.54Å
256T96.8Very high94.7Very high13 Ų1345.3 Ų45.38%0.0827%0.265CS..EExtended strand (participates in β ladder)trans-125.7167.7165.761.20000110.6L241 Y265 V266 H268L241-T256 HydrophobicContact CB-CG2 4.12Å; L241-T256 HydrophobicContact CD1-CG2 4.41Å; L241-T256 HydrophobicContact CD2-CG2 3.53Å; L241-T256 HydrophobicContact CG-CG2 4.22Å; T256-Y265 WeakPolarHBondContact O-CA 3.35Å; T256-Y265 WeakPolarHBondContact O-CB 3.23Å; T256-Y265 WeakPolarHBondContact O-CD1 3.19Å; T256-V266 PolarHBondContact N-O 3.47Å; T256-V266 PolarHBondContact O-N 2.99Å; T256-H268 WeakPolarHBondContact CG2-NE2 3.18Å; T256-H268 PolarHBondContact OG1-NE2 2.9Å
257G96.1Very high95Very high21 Ų2144.1 Ų44.122%0.21625%0.252CS..EExtended strand (participates in β ladder)trans-65.7162.3167.500000112.2F259G257-F259 VanDerWaalsContact C-N 3.3Å; G257-F259 WeakPolarHBondContact O-CD2 3.43Å; G257-F259 WeakPolarHBondContact O-CE2 3.34Å; G257-F259 PolarHBondContact O-N 3.21Å
258G89.1Confident95.2Very high8 Ų838.9 Ų38.98%0.08222%0.219CC..  trans-71.3-14.7-178.200000116.3G260 L261 A263 K264G258-G260 PolarHBondContact O-N 3.41Å; G258-L261 WeakPolarHBondContact O-CA 3.45Å; G258-L261 WeakPolarHBondContact O-CB 3.48Å; G258-L261 WeakPolarHBondContact O-CD1 3.5Å; G258-L261 WeakPolarHBondContact O-CG 3.46Å; G258-L261 PolarHBondContact O-N 3.12Å; G258-A263 VanDerWaalsContact CA-O 3.28Å; G258-A263 WeakPolarHBondContact CA-O 3.45Å; G258-K264 PolarHBondContact N-O 2.82Å
259F88.7Confident95.3Very high84 Ų8438.2 Ų38.237%0.36822%0.215SC..THydrogen-bonded Turntrans23.182.7173.8-56.3-60.8000115.9G230 E233 F234 A237 G257 L261G230-F259 WeakPolarHBondContact CA-O 3.46Å; E233-F259 HydrophobicContact CB-CB 3.86Å; E233-F259 HydrophobicContact CB-CD1 4.44Å; E233-F259 HydrophobicContact CB-CG 4.39Å; F234-F259 HydrophobicContact CB-CB 4.48Å; A237-F259 HydrophobicContact CB-CD2 3.42Å; A237-F259 VanDerWaalsContact CB-CD2 3.42Å; A237-F259 HydrophobicContact CB-CE2 3.29Å; A237-F259 HydrophobicContact CB-CG 4.38Å; A237-F259 HydrophobicContact CB-CZ 4.16Å; G257-F259 VanDerWaalsContact C-N 3.3Å; G257-F259 WeakPolarHBondContact O-CD2 3.43Å; G257-F259 WeakPolarHBondContact O-CE2 3.34Å; G257-F259 PolarHBondContact O-N 3.21Å; F259-L261 VanDerWaalsContact C-N 3.29Å; F259-L261 PolarHBondContact O-N 3.15Å
260G85.6Confident95.4Very high52 Ų5231.2 Ų31.254%0.53618%0.183SC..THydrogen-bonded Turntrans81.8-3.9179.500000115.6G258G258-G260 PolarHBondContact O-N 3.41Å
261L93.5Very high95.3Very high20 Ų2028 Ų2811%0.10516%0.164CC..SBendtrans-91.4153.5173.2-55.6166.3000111.3L226 K229 F234 G258 F259 A263 V266L226-L261 HydrophobicContact CD2-CD1 3.82Å; L226-L261 HydrophobicContact CD2-CD2 3.9Å; K229-L261 HydrophobicContact CB-CD2 3.76Å; K229-L261 HydrophobicContact CG-CD2 3.82Å; F234-L261 HydrophobicContact CD2-CD1 4.38Å; F234-L261 HydrophobicContact CE2-CD1 4.48Å; G258-L261 WeakPolarHBondContact O-CA 3.45Å; G258-L261 WeakPolarHBondContact O-CB 3.48Å; G258-L261 WeakPolarHBondContact O-CD1 3.5Å; G258-L261 WeakPolarHBondContact O-CG 3.46Å; G258-L261 PolarHBondContact O-N 3.12Å; F259-L261 VanDerWaalsContact C-N 3.29Å; F259-L261 PolarHBondContact O-N 3.15Å; L261-A263 PolarHBondContact O-N 3.39Å; L261-V266 HydrophobicContact CD1-CG2 3.46Å; L261-V266 VanDerWaalsContact CD1-CG2 3.46Å
262P93.4Very high95.3Very high59 Ų5928.1 Ų28.138%0.38316%0.164SC..SBendtrans-61.9-27.1169.8-21.233.5000113S201 E204S201-P262 WeakPolarHBondContact O-CD 3.31Å; E204-P262 HydrophobicContact CG-CB 3.89Å
263A95Very high95.2Very high3 Ų328.9 Ų28.93%0.02517%0.172CC..SBendtrans-73.4144.5176.500000111.9S205 V208 G258 L261S205-A263 WeakPolarHBondContact O-CA 3.49Å; S205-A263 WeakPolarHBondContact O-CB 3.49Å; V208-A263 HydrophobicContact CB-CB 4.24Å; V208-A263 HydrophobicContact CG2-CB 3.61Å; G258-A263 VanDerWaalsContact CA-O 3.28Å; G258-A263 WeakPolarHBondContact CA-O 3.45Å; L261-A263 PolarHBondContact O-N 3.39Å
264K95.9Very high95.1Very high132 Ų13233.4 Ų33.457%0.57419%0.185SC*.SBendtrans-73.7-32.1-178.5-60.8173-177.2157.80112.6D206 G258D206-K264 WeakPolarHBondContact O-CB 3.4Å; D206-K264 PolarHBondContact O-N 3.36Å; D206-K264 WeakPolarHBondContact OD1-CD 3.23Å; D206-K264 WeakPolarHBondContact OD1-CE 3.3Å; D206-K264 IonicContact OD1-NZ 2.76Å; D206-K264 PolarHBondContact OD1-NZ 2.88Å; G258-K264 PolarHBondContact N-O 2.82Å
265Y98.1Very high94.9Very high79 Ų7935.2 Ų35.231%0.3121%0.211SC..EExtended strand (participates in β ladder)trans-137.5158.4-178.5-62.8-79.3000112D206 A207 V208 L255 T256 L299D206-Y265 PolarHBondContact O-N 2.81Å; A207-Y265 VanDerWaalsContact CA-O 3.3Å; A207-Y265 WeakPolarHBondContact CA-O 3.43Å; V208-Y265 PolarHBondContact N-O 2.96Å; V208-Y265 VanDerWaalsContact N-O 3.07Å; L255-Y265 HydrophobicContact CD1-CD1 4.46Å; L255-Y265 HydrophobicContact CD1-CG 4.3Å; L255-Y265 HydrophobicContact CD2-CD1 3.76Å; L255-Y265 HydrophobicContact CD2-CE1 4.21Å; L255-Y265 HydrophobicContact CD2-CG 4.24Å; L255-Y265 HydrophobicContact CG-CD1 4.1Å; L255-Y265 HydrophobicContact CG-CG 4.44Å; T256-Y265 WeakPolarHBondContact O-CA 3.35Å; T256-Y265 WeakPolarHBondContact O-CB 3.23Å; T256-Y265 WeakPolarHBondContact O-CD1 3.19Å; Y265-L299 HydrophobicContact CD2-CD1 4.05Å; Y265-L299 HydrophobicContact CD2-CD2 3.71Å; Y265-L299 HydrophobicContact CE2-CD2 3.78Å
266V97.9Very high94.7Very high0 Ų036 Ų360%022%0.219CC..EExtended strand (participates in β ladder)trans-119.9126.3168.4-1710000109.4V208 H210 L226 F234 L255 T256 L261 H268V208-V266 CarbonylContact O-C 3.51Å; V208-V266 WeakPolarHBondContact O-CA 3.47Å; H210-V266 HydrophobicContact CB-CG1 3.69Å; L226-V266 HydrophobicContact CD1-CG1 4.17Å; F234-V266 HydrophobicContact CE2-CB 4.46Å; F234-V266 HydrophobicContact CE2-CG1 4.28Å; F234-V266 HydrophobicContact CE2-CG2 4.11Å; L255-V266 WeakPolarHBondContact CA-O 3.42Å; T256-V266 PolarHBondContact N-O 3.47Å; T256-V266 PolarHBondContact O-N 2.99Å; L261-V266 HydrophobicContact CD1-CG2 3.46Å; L261-V266 VanDerWaalsContact CD1-CG2 3.46Å; V266-H268 WeakPolarHBondContact CG1-CE1 3.26Å
267I98.4Very high94.5Very high0 Ų043.2 Ų43.20%025%0.252CS..EExtended strand (participates in β ladder)trans-97.4106.7175.4-61.5166.4000107.9A207 V208 V209 H210 A253 L254 L255 C290 L293 A294 V302A207-I267 HydrophobicContact CB-CD1 3.7Å; A207-I267 HydrophobicContact CB-CG1 4.07Å; V208-I267 PolarHBondContact O-N 2.93Å; V209-I267 CarbonylContact C-O 3.52Å; V209-I267 WeakPolarHBondContact CA-O 3.43Å; V209-I267 HydrophobicContact CG2-CB 4.33Å; H210-I267 PolarHBondContact N-O 3.04Å; A253-I267 HydrophobicContact CB-CG2 4.24Å; L254-I267 CarbonylContact O-C 3.54Å; L254-I267 WeakPolarHBondContact O-CA 3.47Å; L255-I267 HydrophobicContact CD1-CB 4.5Å; L255-I267 HydrophobicContact CD1-CD1 4.43Å; L255-I267 HydrophobicContact CD1-CG1 3.45Å; L255-I267 VanDerWaalsContact CD1-CG1 3.45Å; I267-C290 HydrophobicContact CG2-CB 3.93Å; I267-L293 HydrophobicContact CG2-CD1 4.3Å; I267-A294 HydrophobicContact CD1-CB 4.03Å; I267-V302 HydrophobicContact CD1-CG1 4.28Å
268H97.8Very high94.5Very high0 Ų048.1 Ų48.10%027%0.267CS..EExtended strand (participates in β ladder)trans-86.8124.7177.2-53.7-62.5000110.1H210 T212 L216 F234 L238 A253 L254 T256 V266H210-H268 AromaticContact CG-ND1 3.63Å; H210-H268 AromaticContact ND1-CE1 3.61Å; H210-H268 AromaticContact ND1-ND1 3.01Å; H210-H268 PolarHBondContact ND1-ND1 3.46Å; H210-H268 WeakPolarHBondContact O-CA 3.17Å; T212-H268 HydrophobicContact CG2-CB 4.18Å; L216-H268 HydrophobicContact CD2-CB 3.94Å; F234-H268 AromaticContact CE2-CE1 3.98Å; L238-H268 WeakPolarHBondContact CD2-CE1 3.4Å; L238-H268 WeakPolarHBondContact CD2-NE2 3.32Å; A253-H268 CarbonylContact C-O 3.53Å; A253-H268 WeakPolarHBondContact CA-O 3.42Å; L254-H268 PolarHBondContact N-O 2.8Å; L254-H268 PolarHBondContact O-N 3.19Å; T256-H268 WeakPolarHBondContact CG2-NE2 3.18Å; T256-H268 PolarHBondContact OG1-NE2 2.9Å; V266-H268 WeakPolarHBondContact CG1-CE1 3.26Å
269C97.8Very high94.7Very high0 Ų048.2 Ų48.20%027%0.267CS..EExtended strand (participates in β ladder)trans-130.1139.4-178.768.50000112.5H210 T212 G252 A253 S271 T286 C290H210-C269 PolarHBondContact O-N 2.91Å; T212-C269 PolarHBondContact N-O 3.46Å; G252-C269 WeakPolarHBondContact O-CA 3.36Å; A253-C269 HydrophobicContact CB-CB 4.24Å; C269-S271 PolarHBondContact O-N 3Å; C269-T286 HydrophobicContact CB-CG2 3.63Å; C269-C290 VanDerWaalsContact CB-SG 3.54Å
270N97.1Very high95.1Very high14 Ų1448.5 Ų48.58%0.07527%0.269CS..EExtended strand (participates in β ladder)trans-92.395.9176.5-1769.3000109.3S214 L248 E249 A251 G252S214-N270 PolarHBondContact N-ND2 3.07Å; L248-N270 HydrophobicContact CB-CB 4.34Å; L248-N270 HydrophobicContact CD2-CB 3.82Å; L248-N270 HydrophobicContact CG-CB 3.79Å; L248-N270 PolarHBondContact O-ND2 2.83Å; E249-N270 WeakPolarHBondContact O-CB 3.49Å; E249-N270 PolarHBondContact O-ND2 3.09Å; A251-N270 WeakPolarHBondContact CA-O 3.41Å; A251-N270 PolarHBondContact N-O 2.88Å; G252-N270 PolarHBondContact O-N 3.24Å
271S94.8Very high95.6Very high4 Ų451.8 Ų51.83%0.02827%0.271CS..PPolyproline II helixtrans-69142.5177.5-179.60000110.5C269 N312C269-S271 PolarHBondContact O-N 3Å; S271-N312 WeakPolarHBondContact CB-ND2 3.45Å; S271-N312 PolarHBondContact O-ND2 3.03Å
272P96.4Very high95.8Very high3 Ų353 Ų532%0.01928%0.276CS..PPolyproline II helixtrans-62.9161.2169.530-37.2000111.2V250 C279 M282 L283 N312 F314V250-P272 HydrophobicContact CG1-CB 3.89Å; P272-C279 HydrophobicContact CB-CB 4.31Å; P272-C279 VanDerWaalsContact CG-O 3.26Å; P272-C279 WeakPolarHBondContact CG-O 3.26Å; P272-M282 HydrophobicContact CB-CB 3.88Å; P272-M282 HydrophobicContact CG-CB 3.77Å; P272-L283 HydrophobicContact CG-CB 3.98Å; P272-N312 WeakPolarHBondContact O-CB 3.48Å; P272-N312 PolarHBondContact O-ND2 3.13Å; P272-F314 HydrophobicContact CG-CE2 4.21Å; P272-F314 HydrophobicContact CG-CZ 4.01Å; P272-F314 WeakPolarHBondContact O-CE2 3.48Å
273G95.4Very high96.1Very high31 Ų3150.2 Ų50.232%0.3226%0.258SS..PPolyproline II helixtrans-87.8144.7169.800000111.3G275 S276 C279G273-G275 PolarHBondContact O-N 2.95Å; G273-S276 WeakPolarHBondContact O-CB 3.4Å; G273-S276 PolarHBondContact O-N 3.08Å; G273-S276 PolarHBondContact O-OG 2.97Å; G273-C279 VanDerWaalsContact O-CB 3.26Å; G273-C279 WeakPolarHBondContact O-CB 3.27Å
274W95.7Very high96.2Very high114 Ų11451.3 Ų51.343%0.43226%0.263SS..THydrogen-bonded Turntrans-63134.1175.2-179.6-116.2000111S276 E280 N312 G313 F314 P315 T318W274-S276 VanDerWaalsContact C-N 3.31Å; W274-E280 HydrophobicContact CZ3-CG 4.12Å; W274-N312 VanDerWaalsContact CB-O 3.26Å; W274-N312 WeakPolarHBondContact CB-O 3.04Å; W274-N312 PolarHBondContact N-O 3.2Å; W274-G313 VanDerWaalsContact CB-C 3.46Å; W274-G313 WeakPolarHBondContact CB-O 3.23Å; W274-F314 HydrophobicContact CB-CD2 3.9Å; W274-F314 HydrophobicContact CB-CE2 4.2Å; W274-F314 HydrophobicContact CB-CG 4.31Å; W274-F314 HydrophobicContact CD2-CD1 4.44Å; W274-F314 AromaticContact CE3-CD1 3.44Å; W274-F314 HydrophobicContact CE3-CD1 3.44Å; W274-F314 VanDerWaalsContact CE3-CD1 3.44Å; W274-F314 HydrophobicContact CE3-CD2 4.33Å; W274-F314 AromaticContact CE3-CE1 3.54Å; W274-F314 HydrophobicContact CE3-CE1 3.54Å; W274-F314 HydrophobicContact CE3-CE2 4.4Å; W274-F314 AromaticContact CE3-CG 3.87Å; W274-F314 HydrophobicContact CE3-CG 3.87Å; W274-F314 HydrophobicContact CE3-CZ 4.04Å; W274-F314 AromaticContact CZ3-CD1 3.85Å; W274-F314 HydrophobicContact CZ3-CD1 3.85Å; W274-F314 AromaticContact CZ3-CE1 3.88Å; W274-F314 HydrophobicContact CZ3-CE1 3.88Å; W274-P315 HydrophobicContact CZ2-CG 4.19Å; W274-T318 HydrophobicContact CH2-CG2 4.3Å; W274-T318 HydrophobicContact CZ3-CG2 4.16Å
275G92.8Very high96.3Very high66 Ų6650.1 Ų50.168%0.6826%0.258SS*.THydrogen-bonded Turntrans83.3-2.2-175.800000114.9G273G273-G275 PolarHBondContact O-N 2.95Å
276S93.2Very high96.3Very high52 Ų5246.4 Ų46.436%0.36424%0.243SC..SBendtrans-71.4161.8168.279.70000111.1G273 W274 K278 C279G273-S276 WeakPolarHBondContact O-CB 3.4Å; G273-S276 PolarHBondContact O-N 3.08Å; G273-S276 PolarHBondContact O-OG 2.97Å; W274-S276 VanDerWaalsContact C-N 3.31Å; S276-K278 PolarHBondContact O-N 3.36Å; S276-C279 WeakPolarHBondContact O-CB 3.45Å; S276-C279 PolarHBondContact O-N 2.98Å; S276-C279 WeakPolarHBondContact OG-CB 3.38Å
277E91.9Very high96.4Very high165 Ų16546.4 Ų46.477%0.77124%0.243SC*.THydrogen-bonded Turntrans-54.9129176.1-170.2-178.517100110.6C279E277-C279 PolarHBondContact O-N 3.39Å
278K95.1Very high96.4Very high124 Ų12449.4 Ų49.454%0.53926%0.256SS..THydrogen-bonded Turntrans49.533.8179.2-63.4172.5-179.7-176.40113.7S276 E280 E281 M282S276-K278 PolarHBondContact O-N 3.36Å; K278-E280 PolarHBondContact O-N 2.89Å; K278-E281 HydrophobicContact CB-CB 4.32Å; K278-E281 PolarHBondContact O-N 3.27Å; K278-E281 VanDerWaalsContact O-N 3.16Å; K278-M282 WeakPolarHBondContact O-CG 3.26Å; K278-M282 PolarHBondContact O-N 3.17Å
279C94.8Very high96.4Very high11 Ų1152 Ų527%0.07427%0.27CS..Hα-helixtrans-56.6-35.1-17561.60000113.2P272 G273 S276 E277 L283 F314P272-C279 HydrophobicContact CB-CB 4.31Å; P272-C279 VanDerWaalsContact CG-O 3.26Å; P272-C279 WeakPolarHBondContact CG-O 3.26Å; G273-C279 VanDerWaalsContact O-CB 3.26Å; G273-C279 WeakPolarHBondContact O-CB 3.27Å; S276-C279 WeakPolarHBondContact O-CB 3.45Å; S276-C279 PolarHBondContact O-N 2.98Å; S276-C279 WeakPolarHBondContact OG-CB 3.38Å; E277-C279 PolarHBondContact O-N 3.39Å; C279-L283 WeakPolarHBondContact O-CB 3.31Å; C279-L283 PolarHBondContact O-N 3.06Å; C279-F314 HydrophobicContact CB-CZ 3.77Å; C279-F314 WeakPolarHBondContact O-CZ 3.29Å
280E96.3Very high96.4Very high89 Ų8952 Ų5242%0.41627%0.27SS..Hα-helixtrans-66.2-49.5176.5-59.3-170.7-173.600112.5W274 K278 M282 L283 E284 L322W274-E280 HydrophobicContact CZ3-CG 4.12Å; K278-E280 PolarHBondContact O-N 2.89Å; E280-M282 VanDerWaalsContact C-N 3.28Å; E280-M282 PolarHBondContact O-N 3.43Å; E280-L283 PolarHBondContact O-N 2.92Å; E280-L283 VanDerWaalsContact O-N 3.15Å; E280-E284 PolarHBondContact O-N 2.93Å; E280-L322 HydrophobicContact CB-CD1 3.69Å; E280-L322 HydrophobicContact CB-CD2 4.07Å; E280-L322 HydrophobicContact CG-CD1 3.8Å
281E97.1Very high96.5Very high122 Ų12251.3 Ų51.357%0.5727%0.266SS*.Hα-helixtrans-60.6-40.5176.2-63.2176.6-166.300111.3K278 L283 E284 K285K278-E281 HydrophobicContact CB-CB 4.32Å; K278-E281 PolarHBondContact O-N 3.27Å; K278-E281 VanDerWaalsContact O-N 3.16Å; E281-L283 VanDerWaalsContact C-N 3.33Å; E281-E284 PolarHBondContact O-N 3.38Å; E281-K285 WeakPolarHBondContact O-CB 3.36Å; E281-K285 PolarHBondContact O-N 3.48Å
282M97.9Very high96.6Very high46 Ų4652.6 Ų52.623%0.22728%0.277CS..Hα-helixtrans-66.6-35.7177.7-69.2-62-75.700111.5V250 A251 P272 K278 E280 K285 T286V250-M282 HydrophobicContact CB-CE 3.84Å; V250-M282 HydrophobicContact CG1-CE 3.65Å; V250-M282 VanDerWaalsContact O-CE 3.31Å; V250-M282 WeakPolarHBondContact O-CE 3.44Å; A251-M282 HydrophobicContact CB-CE 3.68Å; A251-M282 WeakPolarHBondContact CB-O 3.4Å; A251-M282 HydrophobicContact CB-SD 4.41Å; P272-M282 HydrophobicContact CB-CB 3.88Å; P272-M282 HydrophobicContact CG-CB 3.77Å; K278-M282 WeakPolarHBondContact O-CG 3.26Å; K278-M282 PolarHBondContact O-N 3.17Å; E280-M282 VanDerWaalsContact C-N 3.28Å; E280-M282 PolarHBondContact O-N 3.43Å; M282-K285 WeakPolarHBondContact O-CB 3.38Å; M282-K285 PolarHBondContact O-N 3.29Å; M282-K285 HydrophobicContact SD-CD 4.3Å; M282-T286 PolarHBondContact O-N 3.46Å; M282-T286 PolarHBondContact O-OG1 3.49Å
283L98.1Very high96.7Very high0 Ų054.1 Ų54.10%029%0.285CS..Hα-helixtrans-67.4-42.9175.8-179.160.6000111P272 C279 E280 E281 K285 T286 V287 I307 F314 L322P272-L283 HydrophobicContact CG-CB 3.98Å; C279-L283 WeakPolarHBondContact O-CB 3.31Å; C279-L283 PolarHBondContact O-N 3.06Å; E280-L283 PolarHBondContact O-N 2.92Å; E280-L283 VanDerWaalsContact O-N 3.15Å; E281-L283 VanDerWaalsContact C-N 3.33Å; L283-K285 VanDerWaalsContact C-N 3.28Å; L283-K285 PolarHBondContact O-N 3.23Å; L283-T286 WeakPolarHBondContact O-CB 3.21Å; L283-T286 PolarHBondContact O-N 2.85Å; L283-V287 WeakPolarHBondContact O-CG2 3.33Å; L283-V287 PolarHBondContact O-N 3.5Å; L283-V287 VanDerWaalsContact O-N 3.12Å; L283-I307 HydrophobicContact CD1-CB 4.15Å; L283-I307 HydrophobicContact CD1-CG2 3.74Å; L283-F314 HydrophobicContact CB-CE1 4.24Å; L283-F314 HydrophobicContact CB-CZ 4.17Å; L283-F314 HydrophobicContact CD2-CD1 3.78Å; L283-F314 HydrophobicContact CD2-CE1 3.68Å; L283-F314 HydrophobicContact CD2-CG 4.3Å; L283-F314 HydrophobicContact CD2-CZ 4.13Å; L283-L322 HydrophobicContact CD2-CB 4.14Å; L283-L322 HydrophobicContact CD2-CD1 3.96Å
284E98Very high96.8Very high26 Ų2652.6 Ų52.612%0.12127%0.27CS..Hα-helixtrans-58.9-42.5173.1-67.8-171-159.400111.3E280 E281 V287 K288 L322 K325 A326E280-E284 PolarHBondContact O-N 2.93Å; E281-E284 PolarHBondContact O-N 3.38Å; E284-V287 PolarHBondContact O-N 3.19Å; E284-K288 WeakPolarHBondContact O-CG 3.4Å; E284-K288 PolarHBondContact O-N 3.3Å; E284-L322 HydrophobicContact CG-CB 4.3Å; E284-L322 HydrophobicContact CG-CD2 4.06Å; E284-L322 WeakPolarHBondContact OE1-CD2 3.48Å; E284-K325 WeakPolarHBondContact OE1-CD 3.29Å; E284-K325 WeakPolarHBondContact OE1-CE 3.39Å; E284-K325 IonicContact OE1-NZ 2.74Å; E284-K325 PolarHBondContact OE1-NZ 3.49Å; E284-K325 IonicContact OE2-NZ 3.84Å; E284-A326 HydrophobicContact CB-CB 3.97Å; E284-A326 HydrophobicContact CG-CB 4.19Å
285K98.2Very high96.9Very high107 Ų10748.3 Ų48.347%0.46526%0.255SS..Hα-helixtrans-62.8-42.1175.9-173179.9178.3-175.10111.9A251 E281 M282 L283 V287 K288 N289A251-K285 HydrophobicContact CB-CB 4.03Å; A251-K285 HydrophobicContact CB-CD 4.05Å; A251-K285 HydrophobicContact CB-CG 4Å; E281-K285 WeakPolarHBondContact O-CB 3.36Å; E281-K285 PolarHBondContact O-N 3.48Å; M282-K285 WeakPolarHBondContact O-CB 3.38Å; M282-K285 PolarHBondContact O-N 3.29Å; M282-K285 HydrophobicContact SD-CD 4.3Å; L283-K285 VanDerWaalsContact C-N 3.28Å; L283-K285 PolarHBondContact O-N 3.23Å; K285-V287 VanDerWaalsContact C-N 3.3Å; K285-V287 PolarHBondContact O-N 3.41Å; K285-K288 PolarHBondContact O-N 2.93Å; K285-N289 WeakPolarHBondContact O-CB 3.25Å; K285-N289 VanDerWaalsContact O-CG 3.32Å; K285-N289 PolarHBondContact O-N 2.98Å
286T98.5Very high97Very high0 Ų052.1 Ų52.10%026%0.255CS..Hα-helixtrans-56-47.1176-54.60000110.9A251 C269 M282 L283 N289 C290A251-T286 VanDerWaalsContact CA-OG1 3.27Å; A251-T286 WeakPolarHBondContact CA-OG1 3.45Å; A251-T286 WeakPolarHBondContact CB-OG1 3.19Å; C269-T286 HydrophobicContact CB-CG2 3.63Å; M282-T286 PolarHBondContact O-N 3.46Å; M282-T286 PolarHBondContact O-OG1 3.49Å; L283-T286 WeakPolarHBondContact O-CB 3.21Å; L283-T286 PolarHBondContact O-N 2.85Å; T286-N289 PolarHBondContact O-N 2.73Å; T286-C290 PolarHBondContact O-N 3.05Å; T286-C290 VanDerWaalsContact O-N 3.09Å; T286-C290 PolarHBondContact O-SG 3.09Å
287V98.6Very high97.2Very high0 Ų054.9 Ų54.90%026%0.26CS..Hα-helixtrans-64.4-46.2-179.3174.40000111L283 E284 K285 N289 C290 L291 F304 I307 I323 A326 I327L283-V287 WeakPolarHBondContact O-CG2 3.33Å; L283-V287 PolarHBondContact O-N 3.5Å; L283-V287 VanDerWaalsContact O-N 3.12Å; E284-V287 PolarHBondContact O-N 3.19Å; K285-V287 VanDerWaalsContact C-N 3.3Å; K285-V287 PolarHBondContact O-N 3.41Å; V287-N289 VanDerWaalsContact C-N 3.33Å; V287-N289 PolarHBondContact O-N 2.79Å; V287-C290 WeakPolarHBondContact O-CB 3.5Å; V287-C290 PolarHBondContact O-N 3.24Å; V287-L291 HydrophobicContact CG1-CD1 4.34Å; V287-L291 WeakPolarHBondContact O-CG 3.25Å; V287-L291 PolarHBondContact O-N 3.26Å; V287-L291 VanDerWaalsContact O-N 3.09Å; V287-F304 HydrophobicContact CG1-CE1 4.12Å; V287-F304 HydrophobicContact CG1-CZ 4.46Å; V287-I307 HydrophobicContact CG2-CD1 4.35Å; V287-I323 HydrophobicContact CG2-CB 4.33Å; V287-I323 HydrophobicContact CG2-CG1 3.82Å; V287-I323 HydrophobicContact CG2-CG2 4.33Å; V287-A326 HydrophobicContact CB-CB 3.84Å; V287-A326 HydrophobicContact CG1-CB 3.81Å; V287-I327 HydrophobicContact CG1-CD1 4.3Å; V287-I327 HydrophobicContact CG1-CG1 3.66Å
288K98.4Very high97.4Very high63 Ų6354.7 Ų54.727%0.27426%0.257SS..Hα-helixtrans-60.2-41177-73.2172.6175.2175.40112.3E284 K285 C290 L291 A292 A326 S329 Y330E284-K288 WeakPolarHBondContact O-CG 3.4Å; E284-K288 PolarHBondContact O-N 3.3Å; K285-K288 PolarHBondContact O-N 2.93Å; K288-C290 VanDerWaalsContact C-N 3.33Å; K288-C290 PolarHBondContact O-N 2.88Å; K288-L291 PolarHBondContact O-N 3.24Å; K288-A292 WeakPolarHBondContact O-CB 3.12Å; K288-A292 PolarHBondContact O-N 2.6Å; K288-A326 HydrophobicContact CG-CB 4.42Å; K288-S329 WeakPolarHBondContact CE-OG 3.27Å; K288-S329 PolarHBondContact NZ-OG 3.34Å; K288-Y330 HydrophobicContact CB-CD2 4.32Å; K288-Y330 HydrophobicContact CG-CD2 4.31Å
289N98.4Very high97.6Very high54 Ų5449.2 Ų49.229%0.28923%0.234SC..Hα-helixtrans-65.6-35.8176.7-74-10.8000112.4A251 A253 K285 T286 V287 A292 L293A251-N289 PolarHBondContact O-ND2 3Å; A253-N289 HydrophobicContact CB-CB 4.15Å; K285-N289 WeakPolarHBondContact O-CB 3.25Å; K285-N289 VanDerWaalsContact O-CG 3.32Å; K285-N289 PolarHBondContact O-N 2.98Å; T286-N289 PolarHBondContact O-N 2.73Å; V287-N289 VanDerWaalsContact C-N 3.33Å; V287-N289 PolarHBondContact O-N 2.79Å; N289-A292 PolarHBondContact O-N 3.46Å; N289-L293 PolarHBondContact O-N 2.93Å; N289-L293 VanDerWaalsContact O-N 3.12Å
290C98.6Very high97.7Very high0 Ų055.4 Ų55.40%026%0.259CS..Hα-helixtrans-63.8-45.5173.6-63.50000111.5V209 I267 C269 T286 V287 K288 L293 A294 F304V209-C290 HydrophobicContact CG2-CB 4.37Å; I267-C290 HydrophobicContact CG2-CB 3.93Å; C269-C290 VanDerWaalsContact CB-SG 3.54Å; T286-C290 PolarHBondContact O-N 3.05Å; T286-C290 VanDerWaalsContact O-N 3.09Å; T286-C290 PolarHBondContact O-SG 3.09Å; V287-C290 WeakPolarHBondContact O-CB 3.5Å; V287-C290 PolarHBondContact O-N 3.24Å; K288-C290 VanDerWaalsContact C-N 3.33Å; K288-C290 PolarHBondContact O-N 2.88Å; C290-L293 PolarHBondContact O-N 3.19Å; C290-A294 PolarHBondContact O-N 3.39Å; C290-A294 VanDerWaalsContact O-N 3.13Å; C290-F304 HydrophobicContact CB-CE1 3.91Å; C290-F304 HydrophobicContact CB-CZ 3.81Å
291L98.4Very high97.8Very high0 Ų052 Ų520%025%0.245CC..Hα-helixtrans-64.1-41.3177.7-64.3168.7000111.7V287 K288 L293 A294 D295 F304 I327 Y330 F331 I339V287-L291 HydrophobicContact CG1-CD1 4.34Å; V287-L291 WeakPolarHBondContact O-CG 3.25Å; V287-L291 PolarHBondContact O-N 3.26Å; V287-L291 VanDerWaalsContact O-N 3.09Å; K288-L291 PolarHBondContact O-N 3.24Å; L291-L293 PolarHBondContact O-N 2.89Å; L291-A294 WeakPolarHBondContact O-CB 3.49Å; L291-A294 PolarHBondContact O-N 2.91Å; L291-A294 VanDerWaalsContact O-N 3.16Å; L291-D295 PolarHBondContact O-N 3.06Å; L291-F304 HydrophobicContact CD2-CE2 3.84Å; L291-F304 HydrophobicContact CD2-CZ 3.89Å; L291-F304 HydrophobicContact CG-CZ 4.11Å; L291-I327 HydrophobicContact CD1-CB 4.43Å; L291-I327 HydrophobicContact CD1-CG1 3.99Å; L291-Y330 HydrophobicContact CB-CD1 3.72Å; L291-Y330 HydrophobicContact CB-CD2 4.03Å; L291-Y330 HydrophobicContact CB-CE1 3.61Å; L291-Y330 HydrophobicContact CB-CE2 3.92Å; L291-Y330 HydrophobicContact CB-CG 3.93Å; L291-Y330 HydrophobicContact CD1-CD1 3.61Å; L291-Y330 HydrophobicContact CD1-CD2 4.21Å; L291-Y330 HydrophobicContact CD1-CE1 4.37Å; L291-Y330 HydrophobicContact CD1-CG 3.52Å; L291-Y330 HydrophobicContact CG-CD1 4.23Å; L291-Y330 HydrophobicContact CG-CG 4.38Å; L291-F331 HydrophobicContact CD2-CZ 4.45Å; L291-I339 HydrophobicContact CB-CD1 4.36Å; L291-I339 HydrophobicContact CD2-CD1 3.91Å
292A97.8Very high97.8Very high31 Ų3146.1 Ų46.126%0.25622%0.218SC..Hα-helixtrans-57.8-47.1176.200000112.4K288 N289 A294 D295 E296 Y330K288-A292 WeakPolarHBondContact O-CB 3.12Å; K288-A292 PolarHBondContact O-N 2.6Å; N289-A292 PolarHBondContact O-N 3.46Å; A292-A294 VanDerWaalsContact C-N 3.31Å; A292-A294 PolarHBondContact O-N 3.31Å; A292-D295 PolarHBondContact O-N 3.12Å; A292-E296 WeakPolarHBondContact O-CG 3.09Å; A292-E296 PolarHBondContact O-N 2.9Å; A292-Y330 WeakPolarHBondContact CA-OH 3.2Å; A292-Y330 HydrophobicContact CB-CE2 4.32Å
293L97.5Very high97.9Very high35 Ų3544 Ų4418%0.18321%0.207CC..Hα-helixtrans-63.3-36.3176.1-75.1177.4000112.9A253 I267 N289 C290 L291 K297A253-L293 HydrophobicContact CB-CD1 3.49Å; A253-L293 VanDerWaalsContact CB-CD1 3.49Å; I267-L293 HydrophobicContact CG2-CD1 4.3Å; N289-L293 PolarHBondContact O-N 2.93Å; N289-L293 VanDerWaalsContact O-N 3.12Å; C290-L293 PolarHBondContact O-N 3.19Å; L291-L293 PolarHBondContact O-N 2.89Å; L293-K297 PolarHBondContact O-N 2.94Å
294A97.9Very high97.9Very high0 Ų044 Ų440%021%0.207CC..Hα-helixtrans-65.5-41.6175.400000111.6I267 C290 L291 A292 K297 K298 L299 V302 I339I267-A294 HydrophobicContact CD1-CB 4.03Å; C290-A294 PolarHBondContact O-N 3.39Å; C290-A294 VanDerWaalsContact O-N 3.13Å; L291-A294 WeakPolarHBondContact O-CB 3.49Å; L291-A294 PolarHBondContact O-N 2.91Å; L291-A294 VanDerWaalsContact O-N 3.16Å; A292-A294 VanDerWaalsContact C-N 3.31Å; A292-A294 PolarHBondContact O-N 3.31Å; A294-K297 CarbonylContact O-C 3.46Å; A294-K297 PolarHBondContact O-N 3.32Å; A294-K298 PolarHBondContact O-N 3.38Å; A294-K298 VanDerWaalsContact O-N 3.14Å; A294-L299 HydrophobicContact CB-CB 4.3Å; A294-L299 HydrophobicContact CB-CD1 4.16Å; A294-L299 HydrophobicContact CB-CG 4.5Å; A294-L299 WeakPolarHBondContact O-CB 3.14Å; A294-L299 WeakPolarHBondContact O-CG 3.42Å; A294-L299 PolarHBondContact O-N 2.86Å; A294-V302 HydrophobicContact CB-CG2 3.48Å; A294-V302 VanDerWaalsContact CB-CG2 3.48Å; A294-I339 HydrophobicContact CB-CD1 3.86Å; A294-I339 HydrophobicContact CB-CG1 4.33Å
295D96.8Very high97.8Very high23 Ų2343.1 Ų43.112%0.12320%0.204CC..Hα-helixtrans-68.8-37.8175.9-93.2-32.2000113L291 A292 K297 K298 Y330 S337 T338 I339L291-D295 PolarHBondContact O-N 3.06Å; A292-D295 PolarHBondContact O-N 3.12Å; D295-K297 PolarHBondContact O-N 3.48Å; D295-K298 WeakPolarHBondContact O-CA 3.14Å; D295-K298 PolarHBondContact O-N 3.04Å; D295-Y330 WeakPolarHBondContact OD2-CE1 3.47Å; D295-Y330 PolarHBondContact OD2-OH 2.74Å; D295-Y330 VanDerWaalsContact OD2-OH 3.05Å; D295-S337 PolarHBondContact OD1-OG 3.44Å; D295-S337 VanDerWaalsContact OD2-CB 3.23Å; D295-S337 WeakPolarHBondContact OD2-CB 3.37Å; D295-S337 PolarHBondContact OD2-OG 2.99Å; D295-T338 PolarHBondContact OD1-N 2.97Å; D295-T338 PolarHBondContact OD1-OG1 3.04Å; D295-I339 PolarHBondContact OD1-N 3.35Å
296E96.1Very high97.6Very high146 Ų14638.9 Ų38.968%0.68219%0.188SC*.Hα-helixtrans-57.4-34.7172.7-76.9178.9-171.600112.3A292 K298A292-E296 WeakPolarHBondContact O-CG 3.09Å; A292-E296 PolarHBondContact O-N 2.9Å; E296-K298 VanDerWaalsContact C-N 3.34Å
297K96.9Very high97.5Very high110 Ų11038.9 Ų38.948%0.47819%0.188SC..THydrogen-bonded Turntrans-88.93.9174.6-68.8-59.7-172.7-1750114.4L255 L293 A294 D295 L299L255-K297 HydrophobicContact CD2-CD 4.02Å; L255-K297 VanDerWaalsContact CD2-CE 3.4Å; L255-K297 HydrophobicContact CD2-CG 3.54Å; L293-K297 PolarHBondContact O-N 2.94Å; A294-K297 CarbonylContact O-C 3.46Å; A294-K297 PolarHBondContact O-N 3.32Å; D295-K297 PolarHBondContact O-N 3.48Å; K297-L299 VanDerWaalsContact C-N 3.26Å; K297-L299 HydrophobicContact CB-CD1 4.26Å; K297-L299 HydrophobicContact CB-CD2 3.78Å; K297-L299 HydrophobicContact CB-CG 3.75Å; K297-L299 PolarHBondContact O-N 2.75Å
298K96.8Very high97.1Very high162 Ų16239.1 Ų39.170%0.70419%0.191SC*.THydrogen-bonded Turntrans56.937.7179.6-54.8-177.9179.7-179.10113.1A294 D295 E296 T338A294-K298 PolarHBondContact O-N 3.38Å; A294-K298 VanDerWaalsContact O-N 3.14Å; D295-K298 WeakPolarHBondContact O-CA 3.14Å; D295-K298 PolarHBondContact O-N 3.04Å; E296-K298 VanDerWaalsContact C-N 3.34Å; K298-T338 WeakPolarHBondContact CA-OG1 3.49Å; K298-T338 HydrophobicContact CB-CG2 4.14Å; K298-T338 HydrophobicContact CG-CG2 4.34Å
299L97.8Very high96.7Very high8 Ų837.3 Ų37.34%0.04219%0.186CC..  trans-77.8140.6-178.4-53.7-172.3000110.4D206 A207 Y265 A294 K297 T338 I339D206-L299 HydrophobicContact CB-CB 3.79Å; D206-L299 HydrophobicContact CB-CD1 4.3Å; D206-L299 HydrophobicContact CB-CD2 4.06Å; D206-L299 HydrophobicContact CB-CG 4.24Å; A207-L299 HydrophobicContact CB-CD1 3.44Å; A207-L299 VanDerWaalsContact CB-CD1 3.44Å; Y265-L299 HydrophobicContact CD2-CD1 4.05Å; Y265-L299 HydrophobicContact CD2-CD2 3.71Å; Y265-L299 HydrophobicContact CE2-CD2 3.78Å; A294-L299 HydrophobicContact CB-CB 4.3Å; A294-L299 HydrophobicContact CB-CD1 4.16Å; A294-L299 HydrophobicContact CB-CG 4.5Å; A294-L299 WeakPolarHBondContact O-CB 3.14Å; A294-L299 WeakPolarHBondContact O-CG 3.42Å; A294-L299 PolarHBondContact O-N 2.86Å; K297-L299 VanDerWaalsContact C-N 3.26Å; K297-L299 HydrophobicContact CB-CD1 4.26Å; K297-L299 HydrophobicContact CB-CD2 3.78Å; K297-L299 HydrophobicContact CB-CG 3.75Å; K297-L299 PolarHBondContact O-N 2.75Å; L299-T338 PolarHBondContact N-OG1 3Å; L299-T338 CarbonylContact O-C 3.52Å; L299-T338 PolarHBondContact O-OG1 3.46Å; L299-T338 VanDerWaalsContact O-OG1 3.12Å; L299-I339 WeakPolarHBondContact O-CA 3.46Å; L299-I339 WeakPolarHBondContact O-CG1 3.36Å; L299-I339 PolarHBondContact O-N 3.47Å
300K97.7Very high96.3Very high142 Ų14236.9 Ų36.962%0.61719%0.194SC*.SBendtrans-93-19.4-179.4-61.7179.6-178.9177.90112.5D206 K340 T341D206-K300 WeakPolarHBondContact OD2-CA 3.2Å; D206-K300 WeakPolarHBondContact OD2-CB 3.13Å; D206-K300 PolarHBondContact OD2-N 3.16Å; K300-K340 PolarHBondContact O-N 3.15Å; K300-T341 PolarHBondContact O-N 3.21Å; K300-T341 VanDerWaalsContact O-N 3.11Å
301S98.1Very high95.8Very high16 Ų1645.4 Ų45.411%0.11223%0.226CC..EExtended strand (participates in β ladder)trans-143.3140.4-179.355.80000114S205 D206 A207 T341S205-S301 WeakPolarHBondContact CA-OG 3.18Å; D206-S301 WeakPolarHBondContact CB-O 3.37Å; D206-S301 PolarHBondContact N-O 3.36Å; D206-S301 PolarHBondContact N-OG 2.95Å; D206-S301 PolarHBondContact OD2-N 3.39Å; A207-S301 PolarHBondContact N-O 3.17Å; A207-S301 VanDerWaalsContact N-O 3.1Å; S301-T341 WeakPolarHBondContact CA-O 3.38Å
302V98.4Very high95.5Very high0 Ų048 Ų480%024%0.24CC..EExtended strand (participates in β ladder)trans-134.2130.5179-170.50000110.4A207 V209 I267 A294 F304 I339 T341 V342 Y343A207-V302 HydrophobicContact CB-CG1 4.4Å; A207-V302 CarbonylContact O-C 3.6Å; A207-V302 VanDerWaalsContact O-CA 3.31Å; A207-V302 WeakPolarHBondContact O-CA 3.44Å; V209-V302 HydrophobicContact CG2-CG1 3.83Å; I267-V302 HydrophobicContact CD1-CG1 4.28Å; A294-V302 HydrophobicContact CB-CG2 3.48Å; A294-V302 VanDerWaalsContact CB-CG2 3.48Å; V302-F304 HydrophobicContact CB-CD2 4.39Å; V302-F304 HydrophobicContact CB-CE2 3.96Å; V302-F304 HydrophobicContact CG1-CD2 3.86Å; V302-F304 HydrophobicContact CG1-CE2 3.41Å; V302-F304 VanDerWaalsContact CG1-CE2 3.41Å; V302-F304 HydrophobicContact CG1-CZ 4.16Å; V302-I339 HydrophobicContact CG2-CD1 4.19Å; V302-I339 HydrophobicContact CG2-CG1 4.33Å; V302-I339 HydrophobicContact CG2-CG2 4.38Å; V302-T341 PolarHBondContact N-O 3.47Å; V302-V342 CarbonylContact O-C 3.41Å; V302-V342 VanDerWaalsContact O-CA 3.31Å; V302-V342 WeakPolarHBondContact O-CA 3.5Å; V302-Y343 PolarHBondContact O-N 3.17Å
303A98.2Very high95.3Very high0 Ų048.6 Ų48.60%025%0.249CC..EExtended strand (participates in β ladder)trans-102118.4176.200000111.4V203 S205 A207 V208 V209 Y343 V345V203-A303 HydrophobicContact CG1-CB 4.01Å; S205-A303 WeakPolarHBondContact OG-CB 3.13Å; A207-A303 PolarHBondContact O-N 2.93Å; V208-A303 HydrophobicContact CG2-CB 4.03Å; V209-A303 PolarHBondContact N-O 3.46Å; A303-Y343 CarbonylContact C-O 3.56Å; A303-Y343 HydrophobicContact CB-CD2 4.4Å; A303-V345 HydrophobicContact CB-CG2 3.89Å
304F98.1Very high95.3Very high0 Ų047.1 Ų47.10%024%0.241CC..EExtended strand (participates in β ladder)trans-103131.6176.5-77.4-100.9000110.6V209 V287 C290 L291 V302 I307 V342 Y343 F344 V345V209-F304 HydrophobicContact CB-CD1 4.27Å; V209-F304 HydrophobicContact CG1-CD1 4.4Å; V209-F304 HydrophobicContact CG1-CE1 4.47Å; V209-F304 HydrophobicContact CG2-CD1 3.85Å; V209-F304 HydrophobicContact CG2-CD2 4.15Å; V209-F304 HydrophobicContact CG2-CE1 3.76Å; V209-F304 HydrophobicContact CG2-CE2 4.09Å; V209-F304 HydrophobicContact CG2-CG 4.04Å; V209-F304 HydrophobicContact CG2-CZ 3.89Å; V287-F304 HydrophobicContact CG1-CE1 4.12Å; V287-F304 HydrophobicContact CG1-CZ 4.46Å; C290-F304 HydrophobicContact CB-CE1 3.91Å; C290-F304 HydrophobicContact CB-CZ 3.81Å; L291-F304 HydrophobicContact CD2-CE2 3.84Å; L291-F304 HydrophobicContact CD2-CZ 3.89Å; L291-F304 HydrophobicContact CG-CZ 4.11Å; V302-F304 HydrophobicContact CB-CD2 4.39Å; V302-F304 HydrophobicContact CB-CE2 3.96Å; V302-F304 HydrophobicContact CG1-CD2 3.86Å; V302-F304 HydrophobicContact CG1-CE2 3.41Å; V302-F304 VanDerWaalsContact CG1-CE2 3.41Å; V302-F304 HydrophobicContact CG1-CZ 4.16Å; F304-I307 HydrophobicContact CD1-CD1 3.72Å; F304-I307 HydrophobicContact CD1-CG1 4.39Å; F304-I307 HydrophobicContact CE1-CD1 4.04Å; F304-V342 HydrophobicContact CD2-CG1 3.62Å; F304-V342 HydrophobicContact CE2-CG1 4.02Å; F304-Y343 PolarHBondContact N-O 3.38Å; F304-F344 HydrophobicContact CB-CD1 4.21Å; F304-F344 HydrophobicContact CB-CE1 4.45Å; F304-F344 WeakPolarHBondContact O-CA 3.49Å; F304-V345 PolarHBondContact O-N 3.05Å
305P96.8Very high95.3Very high8 Ų849.9 Ų49.95%0.05226%0.259CS..  trans-75.9177.7156.933.5-30.6000109.9I200 V209 P211 V222 I307I200-P305 HydrophobicContact CD1-CB 3.76Å; I200-P305 HydrophobicContact CD1-CG 3.9Å; V209-P305 WeakPolarHBondContact O-CD 3.35Å; P211-P305 HydrophobicContact CG-CG 3.59Å; V222-P305 HydrophobicContact CG2-CB 3.61Å; V222-P305 HydrophobicContact CG2-CG 3.87Å; P305-I307 VanDerWaalsContact C-N 3.32Å; P305-I307 HydrophobicContact CG-CG1 4.44Å; P305-I307 PolarHBondContact O-N 3.44Å
306S94.8Very high95.2Very high18 Ų1851.4 Ų51.413%0.12626%0.264CS..  trans-74.985.4168.6-168.80000110.8G308 S309 Y355S306-G308 PolarHBondContact O-N 3.19Å; S306-S309 WeakPolarHBondContact CB-OG 3.32Å; S306-S309 PolarHBondContact O-N 2.87Å; S306-S309 PolarHBondContact O-OG 3.47Å; S306-S309 PolarHBondContact OG-OG 3.16Å; S306-Y355 WeakPolarHBondContact CA-OH 3.43Å; S306-Y355 WeakPolarHBondContact OG-CE2 2.86Å; S306-Y355 PolarHBondContact OG-OH 3Å
307I94.9Very high95.2Very high0 Ų049 Ų490%025%0.253CS..THydrogen-bonded Turntrans-57.9134.5-179.3-49.4-172.8000110.1V209 P211 L283 V287 F304 P305 S309 I323V209-I307 HydrophobicContact CG1-CD1 3.84Å; P211-I307 HydrophobicContact CB-CG2 4.27Å; P211-I307 HydrophobicContact CG-CB 4.39Å; P211-I307 HydrophobicContact CG-CG1 4.01Å; P211-I307 HydrophobicContact CG-CG2 4.23Å; L283-I307 HydrophobicContact CD1-CB 4.15Å; L283-I307 HydrophobicContact CD1-CG2 3.74Å; V287-I307 HydrophobicContact CG2-CD1 4.35Å; F304-I307 HydrophobicContact CD1-CD1 3.72Å; F304-I307 HydrophobicContact CD1-CG1 4.39Å; F304-I307 HydrophobicContact CE1-CD1 4.04Å; P305-I307 VanDerWaalsContact C-N 3.32Å; P305-I307 HydrophobicContact CG-CG1 4.44Å; P305-I307 PolarHBondContact O-N 3.44Å; I307-S309 VanDerWaalsContact C-N 3.28Å; I307-S309 PolarHBondContact O-N 3.18Å; I307-I323 HydrophobicContact CB-CD1 3.96Å; I307-I323 HydrophobicContact CG1-CD1 4.39Å
308G90.8Very high95.1Very high6 Ų645.3 Ų45.36%0.06224%0.24CC..THydrogen-bonded Turntrans87.2-28.6174.900000115.1S306 G310 N312 G313 F314S306-G308 PolarHBondContact O-N 3.19Å; G308-G310 VanDerWaalsContact C-N 3.29Å; G308-G310 PolarHBondContact O-N 3.01Å; G308-N312 CarbonylContact O-C 3.55Å; G308-G313 PolarHBondContact O-N 3.04Å; G308-G313 VanDerWaalsContact O-N 3.16Å; G308-F314 PolarHBondContact O-N 3.26Å
309S90.7Very high95.1Very high25 Ų2537.6 Ų37.618%0.17521%0.206CC..SBendtrans-80.4-5.1-173.266.90000115.4S306 I307 F314S306-S309 WeakPolarHBondContact CB-OG 3.32Å; S306-S309 PolarHBondContact O-N 2.87Å; S306-S309 PolarHBondContact O-OG 3.47Å; S306-S309 PolarHBondContact OG-OG 3.16Å; I307-S309 VanDerWaalsContact C-N 3.28Å; I307-S309 PolarHBondContact O-N 3.18Å; S309-F314 WeakPolarHBondContact CA-O 3.47Å
310G88.7Confident95.1Very high44 Ų4437.2 Ų37.245%0.45420%0.204SC..SBendtrans-88.4-119.8170.400000112.1G308 N312 G313G308-G310 VanDerWaalsContact C-N 3.29Å; G308-G310 PolarHBondContact O-N 3.01Å; G310-N312 PolarHBondContact O-N 2.86Å; G310-N312 VanDerWaalsContact O-N 3.13Å; G310-G313 PolarHBondContact O-N 3.28Å; G310-G313 VanDerWaalsContact O-N 3.09Å
311R89.1Confident95Very high179 Ų17935.3 Ų35.368%0.67520%0.198SC*.THydrogen-bonded Turntrans-59.3-25.8-175.6-75.4-178.3139.5165.6-8.4115.2Y217 G220 G313Y217-R311 PolarHBondContact OH-NH1 3.5Å; G220-R311 VanDerWaalsContact N-NH1 3.18Å; R311-G313 VanDerWaalsContact C-N 3.29Å
312N90.9Very high95Very high55 Ų5535 Ų3529%0.29420%0.195SC..THydrogen-bonded Turntrans-83.8-5.2-178.2-72.624.4000113.1S271 P272 W274 G308 G310 F314S271-N312 WeakPolarHBondContact CB-ND2 3.45Å; S271-N312 PolarHBondContact O-ND2 3.03Å; P272-N312 WeakPolarHBondContact O-CB 3.48Å; P272-N312 PolarHBondContact O-ND2 3.13Å; W274-N312 VanDerWaalsContact CB-O 3.26Å; W274-N312 WeakPolarHBondContact CB-O 3.04Å; W274-N312 PolarHBondContact N-O 3.2Å; G308-N312 CarbonylContact O-C 3.55Å; G310-N312 PolarHBondContact O-N 2.86Å; G310-N312 VanDerWaalsContact O-N 3.13Å; N312-F314 PolarHBondContact O-N 3.26Å
313G94.2Very high95Very high43 Ų4335 Ų3544%0.44320%0.195SC..  trans78.612.7163.200000116.5W274 G308 G310 R311W274-G313 VanDerWaalsContact CB-C 3.46Å; W274-G313 WeakPolarHBondContact CB-O 3.23Å; G308-G313 PolarHBondContact O-N 3.04Å; G308-G313 VanDerWaalsContact O-N 3.16Å; G310-G313 PolarHBondContact O-N 3.28Å; G310-G313 VanDerWaalsContact O-N 3.09Å; R311-G313 VanDerWaalsContact C-N 3.29Å
314F97.1Very high94.9Very high5 Ų535.1 Ų35.12%0.02220%0.195CC..  trans-64.3137173.1-80.9-108.6000109.9P272 W274 C279 L283 G308 S309 N312 K316 A319 L322P272-F314 HydrophobicContact CG-CE2 4.21Å; P272-F314 HydrophobicContact CG-CZ 4.01Å; P272-F314 WeakPolarHBondContact O-CE2 3.48Å; W274-F314 HydrophobicContact CB-CD2 3.9Å; W274-F314 HydrophobicContact CB-CE2 4.2Å; W274-F314 HydrophobicContact CB-CG 4.31Å; W274-F314 HydrophobicContact CD2-CD1 4.44Å; W274-F314 AromaticContact CE3-CD1 3.44Å; W274-F314 HydrophobicContact CE3-CD1 3.44Å; W274-F314 VanDerWaalsContact CE3-CD1 3.44Å; W274-F314 HydrophobicContact CE3-CD2 4.33Å; W274-F314 AromaticContact CE3-CE1 3.54Å; W274-F314 HydrophobicContact CE3-CE1 3.54Å; W274-F314 HydrophobicContact CE3-CE2 4.4Å; W274-F314 AromaticContact CE3-CG 3.87Å; W274-F314 HydrophobicContact CE3-CG 3.87Å; W274-F314 HydrophobicContact CE3-CZ 4.04Å; W274-F314 AromaticContact CZ3-CD1 3.85Å; W274-F314 HydrophobicContact CZ3-CD1 3.85Å; W274-F314 AromaticContact CZ3-CE1 3.88Å; W274-F314 HydrophobicContact CZ3-CE1 3.88Å; C279-F314 HydrophobicContact CB-CZ 3.77Å; C279-F314 WeakPolarHBondContact O-CZ 3.29Å; L283-F314 HydrophobicContact CB-CE1 4.24Å; L283-F314 HydrophobicContact CB-CZ 4.17Å; L283-F314 HydrophobicContact CD2-CD1 3.78Å; L283-F314 HydrophobicContact CD2-CE1 3.68Å; L283-F314 HydrophobicContact CD2-CG 4.3Å; L283-F314 HydrophobicContact CD2-CZ 4.13Å; G308-F314 PolarHBondContact O-N 3.26Å; S309-F314 WeakPolarHBondContact CA-O 3.47Å; N312-F314 PolarHBondContact O-N 3.26Å; F314-K316 PolarHBondContact O-N 2.97Å; F314-A319 HydrophobicContact CB-CB 3.99Å; F314-L322 HydrophobicContact CD1-CD1 4.47Å; F314-L322 HydrophobicContact CE1-CD1 4.18Å
315P97.6Very high94.8Very high58 Ų5840.5 Ų40.538%0.37722%0.219SC..  trans-54.6132.5166.6-22.732.7000109.9W274 Q317 T318 A319W274-P315 HydrophobicContact CZ2-CG 4.19Å; P315-Q317 PolarHBondContact O-N 3.29Å; P315-Q317 VanDerWaalsContact O-N 3.15Å; P315-T318 PolarHBondContact O-N 2.85Å; P315-A319 PolarHBondContact O-N 2.75Å
316K95.7Very high94.8Very high54 Ų5440.1 Ų40.124%0.23522%0.216CC..Hα-helixtrans-51.7-41.7-175.8-71.9179.9173.5-177.60112.7F314 A320 D348 E350 S351 I354F314-K316 PolarHBondContact O-N 2.97Å; K316-A320 WeakPolarHBondContact O-CB 3.45Å; K316-A320 PolarHBondContact O-N 3.44Å; K316-D348 IonicContact NZ-OD1 2.71Å; K316-D348 IonicContact NZ-OD2 2.73Å; K316-D348 PolarHBondContact NZ-OD2 3.3Å; K316-E350 HydrophobicContact CD-CG 4.16Å; K316-E350 IonicContact NZ-OE2 2.7Å; K316-E350 PolarHBondContact NZ-OE2 3.03Å; K316-S351 WeakPolarHBondContact CD-OG 3.39Å; K316-S351 WeakPolarHBondContact CE-OG 3.28Å; K316-S351 PolarHBondContact NZ-OG 3.06Å; K316-I354 HydrophobicContact CB-CD1 3.52Å; K316-I354 HydrophobicContact CD-CD1 4.31Å
317Q95.2Very high94.9Very high95 Ų9539.2 Ų39.244%0.44421%0.21SC..Hα-helixtrans-63.7-48.5177.4-172.3169.716.600112.5P315 A319 A320 Q321 I354 E358P315-Q317 PolarHBondContact O-N 3.29Å; P315-Q317 VanDerWaalsContact O-N 3.15Å; Q317-A319 PolarHBondContact O-N 2.98Å; Q317-A320 PolarHBondContact O-N 3.06Å; Q317-Q321 WeakPolarHBondContact O-CB 3.4Å; Q317-Q321 PolarHBondContact O-N 3.3Å; Q317-I354 HydrophobicContact CB-CG2 4.24Å; Q317-I354 HydrophobicContact CG-CG2 4.47Å; Q317-E358 WeakPolarHBondContact CG-OE1 3.39Å; Q317-E358 PolarHBondContact NE2-OE1 3.28Å
318T95.9Very high94.8Very high33 Ų3341 Ų4120%0.20222%0.223CC..Hα-helixtrans-61.2-44.8177.4-51.80000111.4W274 P315 Q321 L322W274-T318 HydrophobicContact CH2-CG2 4.3Å; W274-T318 HydrophobicContact CZ3-CG2 4.16Å; P315-T318 PolarHBondContact O-N 2.85Å; T318-Q321 PolarHBondContact O-N 2.99Å; T318-L322 HydrophobicContact CG2-CD1 3.89Å; T318-L322 HydrophobicContact CG2-CG 4.44Å; T318-L322 WeakPolarHBondContact O-CB 3.42Å; T318-L322 VanDerWaalsContact O-CG 3.26Å; T318-L322 WeakPolarHBondContact O-CG 3.4Å; T318-L322 PolarHBondContact O-N 3.4Å
319A97.1Very high94.9Very high0 Ų043 Ų430%024%0.236CC..Hα-helixtrans-59.7-48.5176.300000111.7F314 P315 Q317 Q321 L322 I323F314-A319 HydrophobicContact CB-CB 3.99Å; P315-A319 PolarHBondContact O-N 2.75Å; Q317-A319 PolarHBondContact O-N 2.98Å; A319-Q321 PolarHBondContact O-N 3.07Å; A319-L322 PolarHBondContact O-N 3.47Å; A319-I323 WeakPolarHBondContact O-CB 3.37Å; A319-I323 WeakPolarHBondContact O-CD1 3.37Å; A319-I323 WeakPolarHBondContact O-CG1 3.44Å; A319-I323 PolarHBondContact O-N 2.82Å
320A97.1Very high95.1Very high0 Ų043.1 Ų43.10%023%0.232CC..Hα-helixtrans-59.2-47.6178.600000111.8K316 Q317 L322 I323 L324 I354 Y355 E358K316-A320 WeakPolarHBondContact O-CB 3.45Å; K316-A320 PolarHBondContact O-N 3.44Å; Q317-A320 PolarHBondContact O-N 3.06Å; A320-L322 PolarHBondContact O-N 3.05Å; A320-I323 PolarHBondContact O-N 3.07Å; A320-L324 VanDerWaalsContact O-CB 3.3Å; A320-L324 WeakPolarHBondContact O-CB 3.31Å; A320-L324 WeakPolarHBondContact O-CD1 3.41Å; A320-L324 VanDerWaalsContact O-CG 3.23Å; A320-L324 WeakPolarHBondContact O-CG 3.32Å; A320-L324 PolarHBondContact O-N 3.09Å; A320-I354 HydrophobicContact CB-CG2 3.66Å; A320-Y355 HydrophobicContact CB-CD1 4.42Å; A320-Y355 HydrophobicContact CB-CD2 3.73Å; A320-Y355 HydrophobicContact CB-CE1 4.22Å; A320-Y355 HydrophobicContact CB-CE2 3.52Å; A320-Y355 HydrophobicContact CB-CG 4.2Å; A320-E358 HydrophobicContact CB-CG 4.17Å
321Q96.4Very high95.3Very high103 Ų10341.2 Ų41.248%0.48121%0.212SC..Hα-helixtrans-59-48.7178.6-174.7-177.2-4.500111.7Q317 T318 A319 L324 K325Q317-Q321 WeakPolarHBondContact O-CB 3.4Å; Q317-Q321 PolarHBondContact O-N 3.3Å; T318-Q321 PolarHBondContact O-N 2.99Å; A319-Q321 PolarHBondContact O-N 3.07Å; Q321-L324 PolarHBondContact O-N 3.22Å; Q321-K325 WeakPolarHBondContact O-CB 3.44Å; Q321-K325 PolarHBondContact O-N 2.67Å
322L97.4Very high95.4Very high9 Ų937.7 Ų37.75%0.04721%0.21CC..Hα-helixtrans-65.9-41.3-179.5-68.1171.3000112.1E280 L283 E284 F314 T318 A319 A320 A326E280-L322 HydrophobicContact CB-CD1 3.69Å; E280-L322 HydrophobicContact CB-CD2 4.07Å; E280-L322 HydrophobicContact CG-CD1 3.8Å; L283-L322 HydrophobicContact CD2-CB 4.14Å; L283-L322 HydrophobicContact CD2-CD1 3.96Å; E284-L322 HydrophobicContact CG-CB 4.3Å; E284-L322 HydrophobicContact CG-CD2 4.06Å; E284-L322 WeakPolarHBondContact OE1-CD2 3.48Å; F314-L322 HydrophobicContact CD1-CD1 4.47Å; F314-L322 HydrophobicContact CE1-CD1 4.18Å; T318-L322 HydrophobicContact CG2-CD1 3.89Å; T318-L322 HydrophobicContact CG2-CG 4.44Å; T318-L322 WeakPolarHBondContact O-CB 3.42Å; T318-L322 VanDerWaalsContact O-CG 3.26Å; T318-L322 WeakPolarHBondContact O-CG 3.4Å; T318-L322 PolarHBondContact O-N 3.4Å; A319-L322 PolarHBondContact O-N 3.47Å; A320-L322 PolarHBondContact O-N 3.05Å; L322-A326 VanDerWaalsContact O-CB 3.23Å; L322-A326 WeakPolarHBondContact O-CB 3.46Å; L322-A326 PolarHBondContact O-N 2.89Å
323I98.2Very high95.3Very high0 Ų038.6 Ų38.60%023%0.225CC..Hα-helixtrans-63.1-48.6177.5-70.3162.9000110.6V287 I307 A319 A320 A326 I327 F344 Y355V287-I323 HydrophobicContact CG2-CB 4.33Å; V287-I323 HydrophobicContact CG2-CG1 3.82Å; V287-I323 HydrophobicContact CG2-CG2 4.33Å; I307-I323 HydrophobicContact CB-CD1 3.96Å; I307-I323 HydrophobicContact CG1-CD1 4.39Å; A319-I323 WeakPolarHBondContact O-CB 3.37Å; A319-I323 WeakPolarHBondContact O-CD1 3.37Å; A319-I323 WeakPolarHBondContact O-CG1 3.44Å; A319-I323 PolarHBondContact O-N 2.82Å; A320-I323 PolarHBondContact O-N 3.07Å; I323-A326 PolarHBondContact O-N 2.73Å; I323-I327 HydrophobicContact CG2-CD1 3.71Å; I323-I327 WeakPolarHBondContact O-CD1 3.49Å; I323-I327 VanDerWaalsContact O-CG1 3.31Å; I323-I327 WeakPolarHBondContact O-CG1 3.31Å; I323-I327 PolarHBondContact O-N 2.74Å; I323-F344 HydrophobicContact CG2-CE1 3.77Å; I323-Y355 WeakPolarHBondContact CD1-OH 3.27Å
324L96.6Very high94.9Very high3 Ų338.2 Ų38.22%0.01621%0.214CC..Hα-helixtrans-63.7-43.9179.7-73.9168.5000111.8L193 A320 Q321 A326 I327 S328 F344 Y355 E358 M359 L362L193-L324 HydrophobicContact CD1-CD2 4.2Å; A320-L324 VanDerWaalsContact O-CB 3.3Å; A320-L324 WeakPolarHBondContact O-CB 3.31Å; A320-L324 WeakPolarHBondContact O-CD1 3.41Å; A320-L324 VanDerWaalsContact O-CG 3.23Å; A320-L324 WeakPolarHBondContact O-CG 3.32Å; A320-L324 PolarHBondContact O-N 3.09Å; Q321-L324 PolarHBondContact O-N 3.22Å; L324-A326 PolarHBondContact O-N 3.47Å; L324-I327 PolarHBondContact O-N 2.96Å; L324-S328 WeakPolarHBondContact O-CB 3.38Å; L324-S328 PolarHBondContact O-N 3.4Å; L324-F344 HydrophobicContact CD2-CD2 4.4Å; L324-F344 HydrophobicContact CD2-CE1 4.28Å; L324-F344 HydrophobicContact CD2-CE2 3.43Å; L324-F344 VanDerWaalsContact CD2-CE2 3.43Å; L324-F344 HydrophobicContact CD2-CZ 3.36Å; L324-F344 HydrophobicContact CG-CZ 4.33Å; L324-Y355 HydrophobicContact CD1-CD1 4.41Å; L324-E358 HydrophobicContact CD1-CB 3.39Å; L324-M359 HydrophobicContact CD1-CG 3.93Å; L324-M359 HydrophobicContact CD2-CG 3.53Å; L324-M359 HydrophobicContact CD2-SD 4.39Å; L324-M359 HydrophobicContact CG-CG 4.42Å; L324-L362 HydrophobicContact CB-CD1 4.03Å; L324-L362 HydrophobicContact CB-CD2 4.19Å; L324-L362 HydrophobicContact CB-CG 4.35Å; L324-L362 HydrophobicContact CD2-CD1 3.72Å; L324-L362 HydrophobicContact CG-CD1 4.33Å
325K95.3Very high93.8Very high112 Ų11246.5 Ų46.549%0.48726%0.255SS..Hα-helixtrans-59.4-45.2174179.8-175.9170.2-154.30111.6E284 Q321 S328 S329E284-K325 WeakPolarHBondContact OE1-CD 3.29Å; E284-K325 WeakPolarHBondContact OE1-CE 3.39Å; E284-K325 IonicContact OE1-NZ 2.74Å; E284-K325 PolarHBondContact OE1-NZ 3.49Å; E284-K325 IonicContact OE2-NZ 3.84Å; Q321-K325 WeakPolarHBondContact O-CB 3.44Å; Q321-K325 PolarHBondContact O-N 2.67Å; K325-S328 PolarHBondContact O-N 3.48Å; K325-S329 WeakPolarHBondContact O-CB 3.23Å; K325-S329 PolarHBondContact O-N 2.92Å
326A96.8Very high93Very high0 Ų048.6 Ų48.60%027%0.271CS..Hα-helixtrans-64.9-41.3179.700000112.4E284 V287 K288 L322 I323 L324 Y330E284-A326 HydrophobicContact CB-CB 3.97Å; E284-A326 HydrophobicContact CG-CB 4.19Å; V287-A326 HydrophobicContact CB-CB 3.84Å; V287-A326 HydrophobicContact CG1-CB 3.81Å; K288-A326 HydrophobicContact CG-CB 4.42Å; L322-A326 VanDerWaalsContact O-CB 3.23Å; L322-A326 WeakPolarHBondContact O-CB 3.46Å; L322-A326 PolarHBondContact O-N 2.89Å; I323-A326 PolarHBondContact O-N 2.73Å; L324-A326 PolarHBondContact O-N 3.47Å; A326-Y330 VanDerWaalsContact O-CB 3.29Å; A326-Y330 WeakPolarHBondContact O-CB 3.48Å; A326-Y330 PolarHBondContact O-N 2.99Å
327I96.6Very high92.9Very high0 Ų046.6 Ų46.60%026%0.264CS..Hα-helixtrans-64.1-48.4176.1-70.7162.5000110.8L193 V287 L291 I323 L324 Y330 F331 V342 F344L193-I327 HydrophobicContact CD2-CG2 3.81Å; V287-I327 HydrophobicContact CG1-CD1 4.3Å; V287-I327 HydrophobicContact CG1-CG1 3.66Å; L291-I327 HydrophobicContact CD1-CB 4.43Å; L291-I327 HydrophobicContact CD1-CG1 3.99Å; I323-I327 HydrophobicContact CG2-CD1 3.71Å; I323-I327 WeakPolarHBondContact O-CD1 3.49Å; I323-I327 VanDerWaalsContact O-CG1 3.31Å; I323-I327 WeakPolarHBondContact O-CG1 3.31Å; I323-I327 PolarHBondContact O-N 2.74Å; L324-I327 PolarHBondContact O-N 2.96Å; I327-Y330 WeakPolarHBondContact O-CB 3.35Å; I327-Y330 PolarHBondContact O-N 3.4Å; I327-F331 HydrophobicContact CG2-CD2 3.7Å; I327-F331 HydrophobicContact CG2-CE2 3.46Å; I327-F331 VanDerWaalsContact CG2-CE2 3.46Å; I327-F331 VanDerWaalsContact O-CD2 3.23Å; I327-F331 WeakPolarHBondContact O-CD2 3.22Å; I327-F331 PolarHBondContact O-N 2.92Å; I327-F331 VanDerWaalsContact O-N 3.09Å; I327-V342 HydrophobicContact CD1-CG1 4.13Å; I327-F344 HydrophobicContact CD1-CE1 3.47Å; I327-F344 VanDerWaalsContact CD1-CE1 3.47Å; I327-F344 HydrophobicContact CD1-CZ 3.41Å; I327-F344 VanDerWaalsContact CD1-CZ 3.41Å
328S93.1Very high92.9Very high37 Ų3744.2 Ų44.226%0.25926%0.256SS..Hα-helixtrans-59.3-50.6177.1-178.50000111.1L324 K325 Y330 F331 V332L324-S328 WeakPolarHBondContact O-CB 3.38Å; L324-S328 PolarHBondContact O-N 3.4Å; K325-S328 PolarHBondContact O-N 3.48Å; S328-Y330 VanDerWaalsContact C-N 3.27Å; S328-Y330 PolarHBondContact O-N 2.93Å; S328-F331 PolarHBondContact O-N 3.13Å; S328-V332 WeakPolarHBondContact O-CG2 3.23Å; S328-V332 PolarHBondContact O-N 3.42Å
329S93.4Very high93Very high48 Ų4842.6 Ų42.634%0.33625%0.246SC..Hα-helixtrans-57-38.5176.4172.60000112.7K288 K325 A333K288-S329 WeakPolarHBondContact CE-OG 3.27Å; K288-S329 PolarHBondContact NZ-OG 3.34Å; K325-S329 WeakPolarHBondContact O-CB 3.23Å; K325-S329 PolarHBondContact O-N 2.92Å; S329-A333 WeakPolarHBondContact O-CB 3.32Å; S329-A333 PolarHBondContact O-N 3.01Å
330Y95.8Very high92.9Very high27 Ų2747.8 Ų47.811%0.10627%0.269CS..Hα-helixtrans-64.9-46.5178.2-178.7-92.3000112.1K288 L291 A292 D295 A326 I327 S328 A333 T334K288-Y330 HydrophobicContact CB-CD2 4.32Å; K288-Y330 HydrophobicContact CG-CD2 4.31Å; L291-Y330 HydrophobicContact CB-CD1 3.72Å; L291-Y330 HydrophobicContact CB-CD2 4.03Å; L291-Y330 HydrophobicContact CB-CE1 3.61Å; L291-Y330 HydrophobicContact CB-CE2 3.92Å; L291-Y330 HydrophobicContact CB-CG 3.93Å; L291-Y330 HydrophobicContact CD1-CD1 3.61Å; L291-Y330 HydrophobicContact CD1-CD2 4.21Å; L291-Y330 HydrophobicContact CD1-CE1 4.37Å; L291-Y330 HydrophobicContact CD1-CG 3.52Å; L291-Y330 HydrophobicContact CG-CD1 4.23Å; L291-Y330 HydrophobicContact CG-CG 4.38Å; A292-Y330 WeakPolarHBondContact CA-OH 3.2Å; A292-Y330 HydrophobicContact CB-CE2 4.32Å; D295-Y330 WeakPolarHBondContact OD2-CE1 3.47Å; D295-Y330 PolarHBondContact OD2-OH 2.74Å; D295-Y330 VanDerWaalsContact OD2-OH 3.05Å; A326-Y330 VanDerWaalsContact O-CB 3.29Å; A326-Y330 WeakPolarHBondContact O-CB 3.48Å; A326-Y330 PolarHBondContact O-N 2.99Å; I327-Y330 WeakPolarHBondContact O-CB 3.35Å; I327-Y330 PolarHBondContact O-N 3.4Å; S328-Y330 VanDerWaalsContact C-N 3.27Å; S328-Y330 PolarHBondContact O-N 2.93Å; Y330-A333 PolarHBondContact O-N 2.76Å; Y330-T334 HydrophobicContact CE1-CG2 4.35Å; Y330-T334 VanDerWaalsContact O-CB 3.23Å; Y330-T334 WeakPolarHBondContact O-CB 3.21Å; Y330-T334 PolarHBondContact O-N 3Å; Y330-T334 PolarHBondContact O-OG1 3.34Å
331F92.7Very high92.9Very high4 Ų449 Ų492%0.01828%0.276CS..Hα-helixtrans-71.9-30.6-179.1-71.2-55.1000112.9L187 L189 Q191 L291 I327 S328 S337 I339 V342L187-F331 HydrophobicContact CD1-CB 4.32Å; L187-F331 HydrophobicContact CD1-CD2 3.44Å; L187-F331 VanDerWaalsContact CD1-CD2 3.44Å; L187-F331 HydrophobicContact CD1-CE2 4.12Å; L187-F331 HydrophobicContact CD1-CG 4.24Å; L189-F331 WeakPolarHBondContact CD1-O 3.3Å; Q191-F331 HydrophobicContact CB-CD2 4.44Å; Q191-F331 HydrophobicContact CB-CE2 4.25Å; Q191-F331 HydrophobicContact CB-CZ 4.41Å; Q191-F331 HydrophobicContact CG-CD1 3.91Å; Q191-F331 HydrophobicContact CG-CD2 4.36Å; Q191-F331 HydrophobicContact CG-CE1 3.83Å; Q191-F331 HydrophobicContact CG-CE2 4.22Å; Q191-F331 HydrophobicContact CG-CG 4.2Å; Q191-F331 HydrophobicContact CG-CZ 3.98Å; L291-F331 HydrophobicContact CD2-CZ 4.45Å; I327-F331 HydrophobicContact CG2-CD2 3.7Å; I327-F331 HydrophobicContact CG2-CE2 3.46Å; I327-F331 VanDerWaalsContact CG2-CE2 3.46Å; I327-F331 VanDerWaalsContact O-CD2 3.23Å; I327-F331 WeakPolarHBondContact O-CD2 3.22Å; I327-F331 PolarHBondContact O-N 2.92Å; I327-F331 VanDerWaalsContact O-N 3.09Å; S328-F331 PolarHBondContact O-N 3.13Å; F331-S337 WeakPolarHBondContact CE1-OG 3.37Å; F331-I339 HydrophobicContact CE1-CB 4.02Å; F331-I339 HydrophobicContact CE1-CD1 4.44Å; F331-I339 HydrophobicContact CE1-CG2 4.37Å; F331-I339 HydrophobicContact CZ-CB 4.08Å; F331-I339 HydrophobicContact CZ-CD1 4.5Å; F331-I339 HydrophobicContact CZ-CG2 3.92Å; F331-V342 HydrophobicContact CE2-CG2 3.94Å; F331-V342 HydrophobicContact CZ-CG2 3.94Å
332V89.8Confident93Very high105 Ų10544.1 Ų44.164%0.63625%0.253SS*.Hα-helixtrans-67.1-40.6171173.50000111.2S328S328-V332 WeakPolarHBondContact O-CG2 3.23Å; S328-V332 PolarHBondContact O-N 3.42Å
333A89.5Confident93Very high75 Ų7545.2 Ų45.262%0.6226%0.257SS*.Hα-helixtrans-76.2-30.1-179.100000113.4S329 Y330 M335S329-A333 WeakPolarHBondContact O-CB 3.32Å; S329-A333 PolarHBondContact O-N 3.01Å; Y330-A333 PolarHBondContact O-N 2.76Å; A333-M335 PolarHBondContact O-N 3.43Å
334T86Confident93Very high35 Ų3545.2 Ų45.222%0.21526%0.257CS..  trans-94.698.9-173.6-53.50000111.1Y330 S336Y330-T334 HydrophobicContact CE1-CG2 4.35Å; Y330-T334 VanDerWaalsContact O-CB 3.23Å; Y330-T334 WeakPolarHBondContact O-CB 3.21Å; Y330-T334 PolarHBondContact O-N 3Å; Y330-T334 PolarHBondContact O-OG1 3.34Å; T334-S336 PolarHBondContact O-N 2.98Å; T334-S336 VanDerWaalsContact O-N 3.07Å
335M73.9Confident93Very high178 Ų17845.5 Ų45.588%0.87726%0.259SS*.THydrogen-bonded Turntrans-59.2-21.1-176.5-68.2-72.5166.800115A333A333-M335 PolarHBondContact O-N 3.43Å
336S81.6Confident92.9Very high103 Ų10340.5 Ų40.572%0.7224%0.237SC*.THydrogen-bonded Turntrans-146.872.9-17964.70000112.1T334T334-S336 PolarHBondContact O-N 2.98Å; T334-S336 VanDerWaalsContact O-N 3.07Å
337S91.8Very high92.4Very high11 Ų1148.5 Ų48.58%0.07727%0.272CS..  trans-80.6137.1170.4-175.60000111.7D295 F331 I339D295-S337 PolarHBondContact OD1-OG 3.44Å; D295-S337 VanDerWaalsContact OD2-CB 3.23Å; D295-S337 WeakPolarHBondContact OD2-CB 3.37Å; D295-S337 PolarHBondContact OD2-OG 2.99Å; F331-S337 WeakPolarHBondContact CE1-OG 3.37Å; S337-I339 VanDerWaalsContact C-N 3.33Å; S337-I339 PolarHBondContact OG-N 2.93Å
338T95.8Very high92.1Very high45 Ų4550.9 Ų50.928%0.27629%0.285SS..  trans-77.5-23.1172.158.80000112.4D295 K298 L299 K340D295-T338 PolarHBondContact OD1-N 2.97Å; D295-T338 PolarHBondContact OD1-OG1 3.04Å; K298-T338 WeakPolarHBondContact CA-OG1 3.49Å; K298-T338 HydrophobicContact CB-CG2 4.14Å; K298-T338 HydrophobicContact CG-CG2 4.34Å; L299-T338 PolarHBondContact N-OG1 3Å; L299-T338 CarbonylContact O-C 3.52Å; L299-T338 PolarHBondContact O-OG1 3.46Å; L299-T338 VanDerWaalsContact O-OG1 3.12Å; T338-K340 PolarHBondContact O-N 2.73Å
339I97.6Very high91.9Very high0 Ų053.6 Ų53.60%030%0.304CS..  trans-67.6129.1-179.7-54.2163.7000109.3Q191 L291 A294 D295 L299 V302 F331 S337 V342Q191-I339 WeakPolarHBondContact CG-O 3.36Å; L291-I339 HydrophobicContact CB-CD1 4.36Å; L291-I339 HydrophobicContact CD2-CD1 3.91Å; A294-I339 HydrophobicContact CB-CD1 3.86Å; A294-I339 HydrophobicContact CB-CG1 4.33Å; D295-I339 PolarHBondContact OD1-N 3.35Å; L299-I339 WeakPolarHBondContact O-CA 3.46Å; L299-I339 WeakPolarHBondContact O-CG1 3.36Å; L299-I339 PolarHBondContact O-N 3.47Å; V302-I339 HydrophobicContact CG2-CD1 4.19Å; V302-I339 HydrophobicContact CG2-CG1 4.33Å; V302-I339 HydrophobicContact CG2-CG2 4.38Å; F331-I339 HydrophobicContact CE1-CB 4.02Å; F331-I339 HydrophobicContact CE1-CD1 4.44Å; F331-I339 HydrophobicContact CE1-CG2 4.37Å; F331-I339 HydrophobicContact CZ-CB 4.08Å; F331-I339 HydrophobicContact CZ-CD1 4.5Å; F331-I339 HydrophobicContact CZ-CG2 3.92Å; S337-I339 VanDerWaalsContact C-N 3.33Å; S337-I339 PolarHBondContact OG-N 2.93Å; I339-V342 HydrophobicContact CG2-CG2 3.98Å
340K96.4Very high91.8Very high109 Ų10957.2 Ų57.247%0.47432%0.316SS..  trans-112.9-30.2178.2-58.3-54.5176.3-1620112.6Q191 K192 K300 T338Q191-K340 CarbonylContact C-O 3.57Å; Q191-K340 WeakPolarHBondContact CA-O 3.44Å; K192-K340 PolarHBondContact N-O 2.9Å; K300-K340 PolarHBondContact O-N 3.15Å; T338-K340 PolarHBondContact O-N 2.73Å
341T97.2Very high91.7Very high25 Ų2556.2 Ų56.215%0.15331%0.313CS..EExtended strand (participates in β ladder)trans-133.7131.2-178.7-48.30000111.1K192 Q194 K300 S301 V302 Y343K192-T341 HydrophobicContact CB-CG2 4.35Å; K192-T341 CarbonylContact O-C 3.51Å; K192-T341 WeakPolarHBondContact O-CA 3.39Å; Q194-T341 HydrophobicContact CG-CG2 4.36Å; K300-T341 PolarHBondContact O-N 3.21Å; K300-T341 VanDerWaalsContact O-N 3.11Å; S301-T341 WeakPolarHBondContact CA-O 3.38Å; V302-T341 PolarHBondContact N-O 3.47Å; T341-Y343 HydrophobicContact CG2-CD1 4.07Å; T341-Y343 HydrophobicContact CG2-CD2 4.41Å; T341-Y343 HydrophobicContact CG2-CE1 3.56Å; T341-Y343 HydrophobicContact CG2-CE2 3.97Å; T341-Y343 HydrophobicContact CG2-CG 4.47Å; T341-Y343 VanDerWaalsContact CG2-CZ 3.49Å
342V98.1Very high91.7Very high0 Ų056.9 Ų56.90%032%0.316CS..EExtended strand (participates in β ladder)trans-115.8122.5169.2-177.20000108.4K192 L193 Q194 V302 F304 I327 F331 I339 F344K192-V342 PolarHBondContact O-N 3.23Å; L193-V342 CarbonylContact C-O 3.51Å; L193-V342 WeakPolarHBondContact CA-O 3.45Å; L193-V342 HydrophobicContact CD2-CB 3.74Å; L193-V342 HydrophobicContact CD2-CG1 4.45Å; L193-V342 HydrophobicContact CD2-CG2 4.15Å; Q194-V342 PolarHBondContact N-O 2.99Å; V302-V342 CarbonylContact O-C 3.41Å; V302-V342 VanDerWaalsContact O-CA 3.31Å; V302-V342 WeakPolarHBondContact O-CA 3.5Å; F304-V342 HydrophobicContact CD2-CG1 3.62Å; F304-V342 HydrophobicContact CE2-CG1 4.02Å; I327-V342 HydrophobicContact CD1-CG1 4.13Å; F331-V342 HydrophobicContact CE2-CG2 3.94Å; F331-V342 HydrophobicContact CZ-CG2 3.94Å; I339-V342 HydrophobicContact CG2-CG2 3.98Å; V342-F344 HydrophobicContact CG1-CE1 4.46Å; V342-F344 HydrophobicContact CG1-CZ 4.38Å
343Y97.8Very high91.8Very high33 Ų3353.3 Ų53.313%0.12930%0.301CS..EExtended strand (participates in β ladder)trans-97.7133177.1-54.9-78.3000110.2F179 Q194 V196 V203 V302 A303 F304 T341F179-Y343 HydrophobicContact CE2-CD1 4.25Å; F179-Y343 HydrophobicContact CE2-CE1 4.14Å; F179-Y343 HydrophobicContact CZ-CD1 4.25Å; F179-Y343 AromaticContact CZ-CE1 3.95Å; F179-Y343 HydrophobicContact CZ-CE1 3.95Å; Q194-Y343 HydrophobicContact CB-CD1 4.01Å; Q194-Y343 HydrophobicContact CB-CE1 4.48Å; Q194-Y343 CarbonylContact O-C 3.59Å; Q194-Y343 WeakPolarHBondContact O-CA 3.49Å; V196-Y343 HydrophobicContact CG1-CD1 3.99Å; V203-Y343 HydrophobicContact CG1-CD2 4.47Å; V302-Y343 PolarHBondContact O-N 3.17Å; A303-Y343 CarbonylContact C-O 3.56Å; A303-Y343 HydrophobicContact CB-CD2 4.4Å; F304-Y343 PolarHBondContact N-O 3.38Å; T341-Y343 HydrophobicContact CG2-CD1 4.07Å; T341-Y343 HydrophobicContact CG2-CD2 4.41Å; T341-Y343 HydrophobicContact CG2-CE1 3.56Å; T341-Y343 HydrophobicContact CG2-CE2 3.97Å; T341-Y343 HydrophobicContact CG2-CG 4.47Å; T341-Y343 VanDerWaalsContact CG2-CZ 3.49Å
344F97.7Very high92.1Very high0 Ų050.7 Ų50.70%028%0.276CS..EExtended strand (participates in β ladder)trans-99.4101.4164.9-60.3-66.3000108.3L193 Q194 V196 F304 I323 L324 I327 V342 Y355 M359L193-F344 HydrophobicContact CB-CE2 4.06Å; L193-F344 HydrophobicContact CD1-CE2 4.32Å; L193-F344 HydrophobicContact CD2-CE2 4.44Å; Q194-F344 PolarHBondContact O-N 3.48Å; V196-F344 PolarHBondContact N-O 2.7Å; F304-F344 HydrophobicContact CB-CD1 4.21Å; F304-F344 HydrophobicContact CB-CE1 4.45Å; F304-F344 WeakPolarHBondContact O-CA 3.49Å; I323-F344 HydrophobicContact CG2-CE1 3.77Å; L324-F344 HydrophobicContact CD2-CD2 4.4Å; L324-F344 HydrophobicContact CD2-CE1 4.28Å; L324-F344 HydrophobicContact CD2-CE2 3.43Å; L324-F344 VanDerWaalsContact CD2-CE2 3.43Å; L324-F344 HydrophobicContact CD2-CZ 3.36Å; L324-F344 HydrophobicContact CG-CZ 4.33Å; I327-F344 HydrophobicContact CD1-CE1 3.47Å; I327-F344 VanDerWaalsContact CD1-CE1 3.47Å; I327-F344 HydrophobicContact CD1-CZ 3.41Å; I327-F344 VanDerWaalsContact CD1-CZ 3.41Å; V342-F344 HydrophobicContact CG1-CE1 4.46Å; V342-F344 HydrophobicContact CG1-CZ 4.38Å; F344-Y355 HydrophobicContact CB-CD1 3.92Å; F344-Y355 HydrophobicContact CB-CE1 4.12Å; F344-Y355 AromaticContact CD1-CD1 3.89Å; F344-Y355 HydrophobicContact CD1-CD1 3.89Å; F344-Y355 AromaticContact CD1-CE1 3.4Å; F344-Y355 HydrophobicContact CD1-CE1 3.4Å; F344-Y355 VanDerWaalsContact CD1-CE1 3.4Å; F344-Y355 HydrophobicContact CD2-CD1 4.04Å; F344-Y355 HydrophobicContact CD2-CE1 4.37Å; F344-Y355 HydrophobicContact CE1-CD1 4.43Å; F344-Y355 AromaticContact CE1-CE1 3.84Å; F344-Y355 HydrophobicContact CE1-CE1 3.84Å; F344-Y355 AromaticContact CG-CD1 3.66Å; F344-Y355 HydrophobicContact CG-CD1 3.66Å; F344-Y355 AromaticContact CG-CE1 3.7Å; F344-Y355 HydrophobicContact CG-CE1 3.7Å; F344-Y355 HydrophobicContact CZ-CE1 4.48Å; F344-M359 HydrophobicContact CD2-SD 3.74Å; F344-M359 HydrophobicContact CE2-SD 3.86Å
345V96.2Very high92.6Very high9 Ų949.1 Ų49.16%0.05527%0.266CS..EExtended strand (participates in β ladder)trans-91.4107.9-175.5-169.20000109V196 A198 I200 V203 A303 F304V196-V345 HydrophobicContact CG2-CB 4.07Å; V196-V345 HydrophobicContact CG2-CG1 4.17Å; V196-V345 HydrophobicContact CG2-CG2 3.69Å; A198-V345 HydrophobicContact CB-CG1 4.01Å; A198-V345 WeakPolarHBondContact O-CG1 3.24Å; I200-V345 HydrophobicContact CB-CB 4.21Å; I200-V345 HydrophobicContact CB-CG1 3.9Å; I200-V345 HydrophobicContact CD1-CB 4.28Å; I200-V345 HydrophobicContact CG1-CB 4.07Å; I200-V345 HydrophobicContact CG1-CG1 4.26Å; I200-V345 HydrophobicContact CG1-CG2 4.15Å; V203-V345 HydrophobicContact CG1-CG2 4.45Å; V203-V345 HydrophobicContact CG2-CG1 3.96Å; V203-V345 HydrophobicContact CG2-CG2 3.84Å; A303-V345 HydrophobicContact CB-CG2 3.89Å; F304-V345 PolarHBondContact O-N 3.05Å
346L93.5Very high93.5Very high6 Ų643.1 Ų43.13%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-125.5138.7-172-55.6174.2000110V195 V196 Q197 I352 Y355V195-L346 HydrophobicContact CG1-CD1 3.87Å; V196-L346 PolarHBondContact O-N 3.45Å; Q197-L346 WeakPolarHBondContact CA-O 3.37Å; L346-I352 HydrophobicContact CB-CG1 3.7Å; L346-I352 HydrophobicContact CD1-CG1 4.24Å; L346-Y355 HydrophobicContact CD1-CD1 4.37Å; L346-Y355 HydrophobicContact CD1-CD2 3.46Å; L346-Y355 VanDerWaalsContact CD1-CD2 3.46Å; L346-Y355 HydrophobicContact CD1-CE2 4.17Å; L346-Y355 HydrophobicContact CD1-CG 3.56Å; L346-Y355 HydrophobicContact CD2-CD2 4.09Å; L346-Y355 HydrophobicContact CD2-CE2 3.96Å; L346-Y355 HydrophobicContact CG-CD2 4.43Å
347F87Confident94Very high168 Ų16842.4 Ų42.474%0.73723%0.225SC*.  trans-94.9-45.2-178.8179.5-99.2000112.3Q197Q197-F347 PolarHBondContact NE2-O 2.95Å
348D88.6Confident94.1Very high50 Ų5042.3 Ų42.327%0.26722%0.224SC..SBendtrans-93.3145.5-17271.5-75.2000113.3K316 E350 S351 I352K316-D348 IonicContact NZ-OD1 2.71Å; K316-D348 IonicContact NZ-OD2 2.73Å; K316-D348 PolarHBondContact NZ-OD2 3.3Å; D348-E350 PolarHBondContact O-N 3.14Å; D348-E350 WeakPolarHBondContact OD2-CB 3.46Å; D348-E350 PolarHBondContact OD2-N 2.97Å; D348-S351 PolarHBondContact O-N 3.2Å; D348-S351 WeakPolarHBondContact OD1-CB 3.3Å; D348-S351 PolarHBondContact OD1-OG 2.98Å; D348-S351 PolarHBondContact OD2-N 3.31Å; D348-S351 PolarHBondContact OD2-OG 3.12Å; D348-I352 WeakPolarHBondContact O-CD1 3.44Å; D348-I352 VanDerWaalsContact O-CG1 3.3Å; D348-I352 WeakPolarHBondContact O-CG1 3.37Å; D348-I352 PolarHBondContact O-N 3.16Å
349S89.2Confident93.9Very high95 Ų9540.3 Ų40.366%0.66421%0.211SC*.Hα-helixtrans-63.7-26.4-177.2-52.20000114.1G353S349-G353 PolarHBondContact O-N 3.45Å
350E92.4Very high93.4Very high124 Ų12443.7 Ų43.758%0.57924%0.239SC*.Hα-helixtrans-69.9-51.9177.6176.2-173.4-153.600110.3K316 D348 I352 G353 I354K316-E350 HydrophobicContact CD-CG 4.16Å; K316-E350 IonicContact NZ-OE2 2.7Å; K316-E350 PolarHBondContact NZ-OE2 3.03Å; D348-E350 PolarHBondContact O-N 3.14Å; D348-E350 WeakPolarHBondContact OD2-CB 3.46Å; D348-E350 PolarHBondContact OD2-N 2.97Å; E350-I352 VanDerWaalsContact C-N 3.29Å; E350-I352 PolarHBondContact O-N 2.94Å; E350-G353 PolarHBondContact O-N 3.4Å; E350-I354 HydrophobicContact CG-CD1 4.04Å; E350-I354 WeakPolarHBondContact O-CG1 3.43Å; E350-I354 PolarHBondContact O-N 3.32Å
351S93.1Very high93Very high5 Ų544.7 Ų44.74%0.03524%0.244CC..Hα-helixtrans-59.5-41.7175.6-56.80000111.3K316 D348 I354 Y355K316-S351 WeakPolarHBondContact CD-OG 3.39Å; K316-S351 WeakPolarHBondContact CE-OG 3.28Å; K316-S351 PolarHBondContact NZ-OG 3.06Å; D348-S351 PolarHBondContact O-N 3.2Å; D348-S351 WeakPolarHBondContact OD1-CB 3.3Å; D348-S351 PolarHBondContact OD1-OG 2.98Å; D348-S351 PolarHBondContact OD2-N 3.31Å; D348-S351 PolarHBondContact OD2-OG 3.12Å; S351-I354 PolarHBondContact O-N 3.17Å; S351-Y355 WeakPolarHBondContact O-CD2 3.28Å; S351-Y355 PolarHBondContact O-N 3.37Å
352I93.2Very high92.2Very high18 Ų1844.8 Ų44.89%0.09224%0.243CC..Hα-helixtrans-56.9-51.6174.7-71164.3000110.8L182 V195 Q197 L346 D348 E350 I354 Y355 V356L182-I352 HydrophobicContact CD1-CB 4.4Å; L182-I352 HydrophobicContact CD1-CD1 3.73Å; L182-I352 HydrophobicContact CD1-CG1 4.08Å; L182-I352 HydrophobicContact CD1-CG2 3.44Å; L182-I352 VanDerWaalsContact CD1-CG2 3.44Å; V195-I352 HydrophobicContact CG1-CG2 4.46Å; Q197-I352 HydrophobicContact CB-CD1 3.98Å; Q197-I352 HydrophobicContact CG-CD1 3.86Å; L346-I352 HydrophobicContact CB-CG1 3.7Å; L346-I352 HydrophobicContact CD1-CG1 4.24Å; D348-I352 WeakPolarHBondContact O-CD1 3.44Å; D348-I352 VanDerWaalsContact O-CG1 3.3Å; D348-I352 WeakPolarHBondContact O-CG1 3.37Å; D348-I352 PolarHBondContact O-N 3.16Å; E350-I352 VanDerWaalsContact C-N 3.29Å; E350-I352 PolarHBondContact O-N 2.94Å; I352-I354 VanDerWaalsContact C-N 3.3Å; I352-I354 PolarHBondContact O-N 2.87Å; I352-Y355 PolarHBondContact O-N 3.01Å; I352-V356 HydrophobicContact CG2-CG2 4.37Å; I352-V356 WeakPolarHBondContact O-CB 3.26Å; I352-V356 VanDerWaalsContact O-CG2 3.24Å; I352-V356 WeakPolarHBondContact O-CG2 3.5Å; I352-V356 PolarHBondContact O-N 3.43Å
353G91.6Very high90.4Very high31 Ų3149 Ų4932%0.3226%0.263SS..Hα-helixtrans-57.5-44.5179.200000112.1S349 E350 V356 Q357S349-G353 PolarHBondContact O-N 3.45Å; E350-G353 PolarHBondContact O-N 3.4Å; G353-V356 PolarHBondContact O-N 2.91Å; G353-Q357 WeakPolarHBondContact O-CB 3.47Å; G353-Q357 VanDerWaalsContact O-CG 3.24Å; G353-Q357 WeakPolarHBondContact O-CG 3.28Å; G353-Q357 PolarHBondContact O-N 3.21Å
354I95.7Very high88.2Confident20 Ų2050.4 Ų50.410%0.10327%0.274CS..Hα-helixtrans-61.6-50.2177.3-70.1168.9000111.2K316 Q317 A320 E350 S351 I352 V356 Q357 E358K316-I354 HydrophobicContact CB-CD1 3.52Å; K316-I354 HydrophobicContact CD-CD1 4.31Å; Q317-I354 HydrophobicContact CB-CG2 4.24Å; Q317-I354 HydrophobicContact CG-CG2 4.47Å; A320-I354 HydrophobicContact CB-CG2 3.66Å; E350-I354 HydrophobicContact CG-CD1 4.04Å; E350-I354 WeakPolarHBondContact O-CG1 3.43Å; E350-I354 PolarHBondContact O-N 3.32Å; S351-I354 PolarHBondContact O-N 3.17Å; I352-I354 VanDerWaalsContact C-N 3.3Å; I352-I354 PolarHBondContact O-N 2.87Å; I354-V356 VanDerWaalsContact C-N 3.32Å; I354-V356 PolarHBondContact O-N 3.2Å; I354-Q357 PolarHBondContact O-N 3.01Å; I354-E358 HydrophobicContact CG2-CG 4.22Å; I354-E358 WeakPolarHBondContact O-CG 3.39Å; I354-E358 PolarHBondContact O-N 3.09Å
355Y95.6Very high85.4Confident1 Ų153 Ų530%0.00429%0.293CS..Hα-helixtrans-64.9-36.8-180-91.2-100.2000112.3S306 A320 I323 L324 F344 L346 S351 I352 M359S306-Y355 WeakPolarHBondContact CA-OH 3.43Å; S306-Y355 WeakPolarHBondContact OG-CE2 2.86Å; S306-Y355 PolarHBondContact OG-OH 3Å; A320-Y355 HydrophobicContact CB-CD1 4.42Å; A320-Y355 HydrophobicContact CB-CD2 3.73Å; A320-Y355 HydrophobicContact CB-CE1 4.22Å; A320-Y355 HydrophobicContact CB-CE2 3.52Å; A320-Y355 HydrophobicContact CB-CG 4.2Å; I323-Y355 WeakPolarHBondContact CD1-OH 3.27Å; L324-Y355 HydrophobicContact CD1-CD1 4.41Å; F344-Y355 HydrophobicContact CB-CD1 3.92Å; F344-Y355 HydrophobicContact CB-CE1 4.12Å; F344-Y355 AromaticContact CD1-CD1 3.89Å; F344-Y355 HydrophobicContact CD1-CD1 3.89Å; F344-Y355 AromaticContact CD1-CE1 3.4Å; F344-Y355 HydrophobicContact CD1-CE1 3.4Å; F344-Y355 VanDerWaalsContact CD1-CE1 3.4Å; F344-Y355 HydrophobicContact CD2-CD1 4.04Å; F344-Y355 HydrophobicContact CD2-CE1 4.37Å; F344-Y355 HydrophobicContact CE1-CD1 4.43Å; F344-Y355 AromaticContact CE1-CE1 3.84Å; F344-Y355 HydrophobicContact CE1-CE1 3.84Å; F344-Y355 AromaticContact CG-CD1 3.66Å; F344-Y355 HydrophobicContact CG-CD1 3.66Å; F344-Y355 AromaticContact CG-CE1 3.7Å; F344-Y355 HydrophobicContact CG-CE1 3.7Å; F344-Y355 HydrophobicContact CZ-CE1 4.48Å; L346-Y355 HydrophobicContact CD1-CD1 4.37Å; L346-Y355 HydrophobicContact CD1-CD2 3.46Å; L346-Y355 VanDerWaalsContact CD1-CD2 3.46Å; L346-Y355 HydrophobicContact CD1-CE2 4.17Å; L346-Y355 HydrophobicContact CD1-CG 3.56Å; L346-Y355 HydrophobicContact CD2-CD2 4.09Å; L346-Y355 HydrophobicContact CD2-CE2 3.96Å; L346-Y355 HydrophobicContact CG-CD2 4.43Å; S351-Y355 WeakPolarHBondContact O-CD2 3.28Å; S351-Y355 PolarHBondContact O-N 3.37Å; I352-Y355 PolarHBondContact O-N 3.01Å; Y355-M359 WeakPolarHBondContact O-CB 3.44Å; Y355-M359 WeakPolarHBondContact O-CG 3.37Å; Y355-M359 PolarHBondContact O-N 3.25Å
356V93Very high84.9Confident53 Ų5355.2 Ų55.232%0.32131%0.305SS..Hα-helixtrans-62.5-44.6173.8171.30000110.6V195 I352 G353 I354 A360V195-V356 HydrophobicContact CG2-CG2 4.33Å; I352-V356 HydrophobicContact CG2-CG2 4.37Å; I352-V356 WeakPolarHBondContact O-CB 3.26Å; I352-V356 VanDerWaalsContact O-CG2 3.24Å; I352-V356 WeakPolarHBondContact O-CG2 3.5Å; I352-V356 PolarHBondContact O-N 3.43Å; G353-V356 PolarHBondContact O-N 2.91Å; I354-V356 VanDerWaalsContact C-N 3.32Å; I354-V356 PolarHBondContact O-N 3.2Å; V356-A360 WeakPolarHBondContact O-CB 3.28Å; V356-A360 PolarHBondContact O-N 3.19Å
357Q92.7Very high84.4Confident88 Ų8857.8 Ų57.841%0.41132%0.319SS..Hα-helixtrans-64.3-49.5177.1-74.1173.5-12.400112.2G353 I354 A360 K361G353-Q357 WeakPolarHBondContact O-CB 3.47Å; G353-Q357 VanDerWaalsContact O-CG 3.24Å; G353-Q357 WeakPolarHBondContact O-CG 3.28Å; G353-Q357 PolarHBondContact O-N 3.21Å; I354-Q357 PolarHBondContact O-N 3.01Å; Q357-A360 WeakPolarHBondContact O-CB 3.5Å; Q357-A360 PolarHBondContact O-N 3.24Å; Q357-K361 PolarHBondContact O-N 3.1Å
358E93Very high84.3Confident9 Ų951.7 Ų51.74%0.04230%0.296CS..Hα-helixtrans-69-35.4-179.3-63.8-55.1145.400111.7Q317 A320 L324 I354 A360 K361 L362Q317-E358 WeakPolarHBondContact CG-OE1 3.39Å; Q317-E358 PolarHBondContact NE2-OE1 3.28Å; A320-E358 HydrophobicContact CB-CG 4.17Å; L324-E358 HydrophobicContact CD1-CB 3.39Å; I354-E358 HydrophobicContact CG2-CG 4.22Å; I354-E358 WeakPolarHBondContact O-CG 3.39Å; I354-E358 PolarHBondContact O-N 3.09Å; E358-A360 VanDerWaalsContact C-N 3.3Å; E358-A360 PolarHBondContact O-N 3.44Å; E358-K361 WeakPolarHBondContact O-CB 3.46Å; E358-K361 PolarHBondContact O-N 3.36Å; E358-K361 IonicContact OE1-NZ 2.88Å; E358-K361 PolarHBondContact OE1-NZ 2.91Å; E358-K361 WeakPolarHBondContact OE2-CD 3.39Å; E358-K361 IonicContact OE2-NZ 3.79Å; E358-K361 PolarHBondContact OE2-NZ 3.3Å; E358-L362 PolarHBondContact O-N 3.33Å
359M91.9Very high84Confident2 Ų251.8 Ų51.81%0.0130%0.298CS..Hα-helixtrans-64.3-36.2171.2-79.7179.256.200111.7K185 L193 V195 L324 F344 Y355 K361 L362K185-M359 HydrophobicContact CB-CE 3.58Å; K185-M359 WeakPolarHBondContact CD-O 3.22Å; K185-M359 VanDerWaalsContact CE-O 3.29Å; K185-M359 WeakPolarHBondContact CE-O 3.14Å; K185-M359 PolarHBondContact NZ-O 2.91Å; L193-M359 HydrophobicContact CB-CE 3.7Å; L193-M359 HydrophobicContact CB-SD 4.45Å; L193-M359 WeakPolarHBondContact O-CE 3.49Å; V195-M359 HydrophobicContact CG2-CE 4.25Å; V195-M359 HydrophobicContact CG2-SD 3.28Å; V195-M359 WeakPolarHBondContact CG2-SD 3.45Å; L324-M359 HydrophobicContact CD1-CG 3.93Å; L324-M359 HydrophobicContact CD2-CG 3.53Å; L324-M359 HydrophobicContact CD2-SD 4.39Å; L324-M359 HydrophobicContact CG-CG 4.42Å; F344-M359 HydrophobicContact CD2-SD 3.74Å; F344-M359 HydrophobicContact CE2-SD 3.86Å; Y355-M359 WeakPolarHBondContact O-CB 3.44Å; Y355-M359 WeakPolarHBondContact O-CG 3.37Å; Y355-M359 PolarHBondContact O-N 3.25Å; M359-K361 PolarHBondContact O-N 2.85Å; M359-L362 WeakPolarHBondContact O-CB 3.47Å; M359-L362 PolarHBondContact O-N 3.34Å; M359-L362 VanDerWaalsContact O-N 3.16Å
360A87.8Confident83.7Confident72 Ų7249.1 Ų49.160%0.59528%0.275SS*.Hα-helixtrans-59.4-32.1175.600000111.9K185 V356 Q357 E358K185-A360 PolarHBondContact NZ-O 3Å; V356-A360 WeakPolarHBondContact O-CB 3.28Å; V356-A360 PolarHBondContact O-N 3.19Å; Q357-A360 WeakPolarHBondContact O-CB 3.5Å; Q357-A360 PolarHBondContact O-N 3.24Å; E358-A360 VanDerWaalsContact C-N 3.3Å; E358-A360 PolarHBondContact O-N 3.44Å
361K87Confident83.1Confident130 Ų13044.1 Ų44.157%0.56525%0.254SS*.Hα-helixtrans-77.9-21177.3-57.4176.8-164.2167.20115Q357 E358 M359Q357-K361 PolarHBondContact O-N 3.1Å; E358-K361 WeakPolarHBondContact O-CB 3.46Å; E358-K361 PolarHBondContact O-N 3.36Å; E358-K361 IonicContact OE1-NZ 2.88Å; E358-K361 PolarHBondContact OE1-NZ 2.91Å; E358-K361 WeakPolarHBondContact OE2-CD 3.39Å; E358-K361 IonicContact OE2-NZ 3.79Å; E358-K361 PolarHBondContact OE2-NZ 3.3Å; M359-K361 PolarHBondContact O-N 2.85Å
362L80.7Confident82.4Confident26 Ų2646.9 Ų46.914%0.13627%0.27CS..SBendtrans-61.1139.8171.8-69.4178.8000108.4K185 L193 L324 E358 M359K185-L362 HydrophobicContact CD-CB 4.18Å; K185-L362 WeakPolarHBondContact CE-O 3.43Å; K185-L362 PolarHBondContact NZ-O 3.21Å; L193-L362 HydrophobicContact CD1-CD1 3.6Å; L324-L362 HydrophobicContact CB-CD1 4.03Å; L324-L362 HydrophobicContact CB-CD2 4.19Å; L324-L362 HydrophobicContact CB-CG 4.35Å; L324-L362 HydrophobicContact CD2-CD1 3.72Å; L324-L362 HydrophobicContact CG-CD1 4.33Å; E358-L362 PolarHBondContact O-N 3.33Å; M359-L362 WeakPolarHBondContact O-CB 3.47Å; M359-L362 PolarHBondContact O-N 3.34Å; M359-L362 VanDerWaalsContact O-N 3.16Å
363E61.4Low81.6Confident89 Ų8949.1 Ų49.142%0.41628%0.284SS..  trans-74.6138.4174.6-66.8175.2178.800109.7S365E363-S365 VanDerWaalsContact C-N 3.27Å; E363-S365 PolarHBondContact O-N 3.14Å
364T50.9Low80.7Confident62 Ų6250.6 Ų50.638%0.3828%0.281SS..  trans-90.876.2154.342.90000105.4K185 S186K185-T364 HydrophobicContact CD-CG2 4.3Å; K185-T364 HydrophobicContact CG-CG2 3.75Å; S186-T364 WeakPolarHBondContact O-CG2 3.36Å
365S39.2Very low79.4Confident55 Ų5553.4 Ų53.439%0.38530%0.297SS..  trans-70.90165.413.30000109.8F188 E363F188-S365 WeakPolarHBondContact CA-O 3.45Å; F188-S365 WeakPolarHBondContact CB-O 3.44Å; F188-S365 WeakPolarHBondContact CD2-O 3.38Å; F188-S365 WeakPolarHBondContact CD2-OXT 3.41Å; E363-S365 VanDerWaalsContact C-N 3.27Å; E363-S365 PolarHBondContact O-N 3.14Å

Retrieved 365 of 365 residues in 581.8 ms (Link to these results)

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