Q9AS59_ORYSJ Loading...

glutathione transferase

Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.

AlphaFold DB , UniProt , Accession Q9AS59, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 218 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
1M65.6Low92.3Very high204 Ų20452.9 Ų52.9100%1.00528%0.28SS*.  0150.30-66-175.5-153.700107.2
2S84.9Confident92.5Very high99 Ų9950.2 Ų50.269%0.69227%0.268SS*.PPolyproline II helixtrans-63.3142.2173.3-56.60000110
3P94.5Very high92.9Very high62 Ų6247.2 Ų47.240%0.40325%0.253SS..PPolyproline II helixtrans-62.1143.2176.125.8-33.3000110.4D28P3-D28 WeakPolarHBondContact CA-O 3.33Å; P3-D28 HydrophobicContact CB-CB 4.15Å
4V98Very high93.3Very high0 Ų047.3 Ų47.30%025%0.253CS..EExtended strand (participates in β ladder)trans-71.3147.4171.4-62.80000109.7L22 D28 Y29 E30 L58 D60 Y79V4-L22 HydrophobicContact CG2-CD1 4.4Å; V4-L22 HydrophobicContact CG2-CD2 3.65Å; V4-D28 PolarHBondContact N-O 2.68Å; V4-Y29 CarbonylContact O-C 3.47Å; V4-Y29 WeakPolarHBondContact O-CA 3.44Å; V4-Y29 WeakPolarHBondContact O-CB 3.42Å; V4-E30 PolarHBondContact O-N 3.03Å; V4-L58 HydrophobicContact CB-CD1 4.27Å; V4-L58 HydrophobicContact CG2-CD1 4.18Å; V4-D60 HydrophobicContact CG1-CB 3.88Å; V4-D60 WeakPolarHBondContact CG1-OD1 3.3Å; V4-Y79 WeakPolarHBondContact CG1-OH 3.46Å
5K98.6Very high93.6Very high76 Ų7644.1 Ų44.133%0.3324%0.236SC..EExtended strand (participates in β ladder)trans-102.3128.4177.4-56-166.8178-140.80110.3F7 E30 V32 L58 Q59K5-F7 HydrophobicContact CB-CE2 3.87Å; K5-F7 HydrophobicContact CB-CZ 4.06Å; K5-F7 HydrophobicContact CD-CZ 4.39Å; K5-E30 CarbonylContact C-O 3.6Å; K5-E30 WeakPolarHBondContact CA-O 3.4Å; K5-E30 WeakPolarHBondContact CD-OE2 3.16Å; K5-E30 WeakPolarHBondContact CE-OE2 3.27Å; K5-E30 HydrophobicContact CG-CB 4.3Å; K5-E30 IonicContact NZ-OE1 2.84Å; K5-E30 IonicContact NZ-OE2 2.66Å; K5-E30 PolarHBondContact NZ-OE2 3.31Å; K5-V32 HydrophobicContact CB-CG2 4.14Å; K5-V32 HydrophobicContact CD-CG2 4.14Å; K5-V32 HydrophobicContact CG-CG2 4.48Å; K5-L58 CarbonylContact O-C 3.6Å; K5-L58 VanDerWaalsContact O-CA 3.23Å; K5-L58 WeakPolarHBondContact O-CA 3.44Å; K5-Q59 HydrophobicContact CB-CB 4.36Å; K5-Q59 PolarHBondContact N-O 2.84Å; K5-Q59 PolarHBondContact O-N 3.39Å
6V98.7Very high93.9Very high0 Ų041.4 Ų41.40%022%0.222CC..EExtended strand (participates in β ladder)trans-107.4123.4171.6-177.80000108.2V15 V18 L19 L22 E30 L31 V32 P56 L58V6-V15 HydrophobicContact CG1-CG1 4.12Å; V6-V18 HydrophobicContact CG1-CG1 4.2Å; V6-V18 HydrophobicContact CG2-CG1 3.89Å; V6-L19 HydrophobicContact CB-CD2 4.22Å; V6-L19 HydrophobicContact CG1-CD2 4.15Å; V6-L19 HydrophobicContact CG2-CD2 4.12Å; V6-L22 HydrophobicContact CG2-CD1 3.58Å; V6-E30 PolarHBondContact N-O 3.37Å; V6-L31 HydrophobicContact CB-CD1 4.22Å; V6-L31 HydrophobicContact CG1-CD1 4.18Å; V6-L31 CarbonylContact O-C 3.59Å; V6-V32 PolarHBondContact O-N 2.81Å; V6-P56 HydrophobicContact CG1-CB 4.28Å; V6-L58 HydrophobicContact CG2-CD1 4.21Å
7F98.5Very high94.2Very high8 Ų839.1 Ų39.14%0.03521%0.209CC..EExtended strand (participates in β ladder)trans-96.9115.3-178.5-63.2-92.3000110.4K5 V32 V34 R49 P56 A57 Q59K5-F7 HydrophobicContact CB-CE2 3.87Å; K5-F7 HydrophobicContact CB-CZ 4.06Å; K5-F7 HydrophobicContact CD-CZ 4.39Å; F7-V32 CarbonylContact C-O 3.58Å; F7-V32 WeakPolarHBondContact CA-O 3.45Å; F7-V32 HydrophobicContact CD1-CB 3.72Å; F7-V32 HydrophobicContact CD1-CG1 3.74Å; F7-V32 HydrophobicContact CD1-CG2 4.37Å; F7-V32 HydrophobicContact CE1-CB 3.91Å; F7-V32 HydrophobicContact CE1-CG1 3.8Å; F7-V32 HydrophobicContact CE1-CG2 4.1Å; F7-V32 HydrophobicContact CG-CB 4.4Å; F7-V34 HydrophobicContact CB-CG2 3.91Å; F7-V34 HydrophobicContact CD1-CG2 4.48Å; F7-R49 VanDerWaalsContact CE1-CZ 3.45Å; F7-R49 VanDerWaalsContact CE1-NE 3.28Å; F7-P56 WeakPolarHBondContact O-CA 3.42Å; F7-A57 HydrophobicContact CB-CB 4.25Å; F7-A57 HydrophobicContact CD2-CB 4.29Å; F7-A57 PolarHBondContact N-O 3.46Å; F7-A57 PolarHBondContact O-N 3.44Å; F7-Q59 HydrophobicContact CE2-CB 3.69Å; F7-Q59 HydrophobicContact CZ-CB 4.34Å
8G97.4Very high94.4Very high0 Ų036.9 Ų36.90%020%0.197CC..SBendtrans150.9-166.9-179.100000112.9L31 V32 T33G8-L31 WeakPolarHBondContact O-CD1 3.34Å; G8-V32 PolarHBondContact N-O 3.41Å; G8-T33 WeakPolarHBondContact O-CA 3.45Å
9R94.1Very high94.7Very high83 Ų8335.1 Ų35.131%0.31319%0.188SC..  trans-121.5141.3175.6-66.7176.867.7-179.90.3109.5I11 S12 V15 T33 D35R9-I11 HydrophobicContact CB-CG2 3.68Å; R9-I11 PolarHBondContact O-N 2.91Å; R9-I11 VanDerWaalsContact O-N 3.13Å; R9-S12 WeakPolarHBondContact O-CB 3.27Å; R9-S12 PolarHBondContact O-N 3.22Å; R9-V15 WeakPolarHBondContact O-CB 3.32Å; R9-T33 HydrophobicContact CG-CG2 3.96Å; R9-D35 IonicContact NH1-OD1 2.67Å; R9-D35 PolarHBondContact NH1-OD1 3.14Å; R9-D35 VanDerWaalsContact NH1-OD1 3.09Å
10A91.7Very high94.9Very high13 Ų1333.4 Ų33.411%0.10718%0.179CC..THydrogen-bonded Turntrans-57.8-28.2-179.200000113.5S12 S16 L19 L31 N213A10-S12 PolarHBondContact O-N 3.14Å; A10-S12 VanDerWaalsContact O-N 3.15Å; A10-S16 PolarHBondContact O-OG 3.2Å; A10-L19 HydrophobicContact CB-CD1 4.01Å; A10-L31 HydrophobicContact CB-CD2 4.21Å; A10-N213 HydrophobicContact CB-CB 3.88Å
11I93.3Very high95Very high37 Ų3731.9 Ų31.919%0.1917%0.171CC..THydrogen-bonded Turntrans-56.3-25.4171-167179000113.6R9 T13 F36 Y178 P215 F218R9-I11 HydrophobicContact CB-CG2 3.68Å; R9-I11 PolarHBondContact O-N 2.91Å; R9-I11 VanDerWaalsContact O-N 3.13Å; I11-T13 PolarHBondContact O-N 2.92Å; I11-F36 HydrophobicContact CG2-CE1 3.85Å; I11-F36 HydrophobicContact CG2-CZ 4.35Å; I11-Y178 WeakPolarHBondContact CG1-OH 3.36Å; I11-Y178 WeakPolarHBondContact O-CE2 3.24Å; I11-Y178 PolarHBondContact O-OH 2.82Å; I11-Y178 VanDerWaalsContact O-OH 3.04Å; I11-P215 HydrophobicContact CD1-CG 4.14Å; I11-P215 HydrophobicContact CG1-CG 4.26Å; I11-F218 HydrophobicContact CD1-CE1 3.55Å; I11-F218 HydrophobicContact CD1-CZ 4.15Å; I11-F218 HydrophobicContact CG1-CE1 4.25Å; I11-F218 HydrophobicContact CG1-CZ 4.39Å
12S95.3Very high96.6Very high20 Ų2022.1 Ų22.114%0.1412%0.123CC..SBendtrans-74124.5173.7172.60000109.8R9 A10 N14 V15 S16R9-S12 WeakPolarHBondContact O-CB 3.27Å; R9-S12 PolarHBondContact O-N 3.22Å; A10-S12 PolarHBondContact O-N 3.14Å; A10-S12 VanDerWaalsContact O-N 3.15Å; S12-N14 PolarHBondContact O-N 3.05Å; S12-V15 WeakPolarHBondContact O-CB 3.42Å; S12-V15 PolarHBondContact O-N 2.88Å; S12-V15 VanDerWaalsContact O-N 3.08Å; S12-S16 PolarHBondContact O-N 2.64Å
13T97Very high97.3Very high12 Ų1219.4 Ų19.47%0.07410%0.099CC..Hα-helixtrans-54.4-41.6177.947.40000112.5I11 S16 R17 P174 F175 Y178I11-T13 PolarHBondContact O-N 2.92Å; T13-S16 PolarHBondContact O-N 2.66Å; T13-R17 PolarHBondContact O-N 3.37Å; T13-P174 HydrophobicContact CG2-CB 4.21Å; T13-P174 WeakPolarHBondContact O-CB 3.49Å; T13-P174 WeakPolarHBondContact O-CG 3.41Å; T13-F175 VanDerWaalsContact CB-CE2 3.43Å; T13-F175 HydrophobicContact CG2-CD1 4.24Å; T13-F175 HydrophobicContact CG2-CD2 3.9Å; T13-F175 HydrophobicContact CG2-CE1 4.21Å; T13-F175 HydrophobicContact CG2-CE2 3.88Å; T13-F175 HydrophobicContact CG2-CG 4.08Å; T13-F175 HydrophobicContact CG2-CZ 4.02Å; T13-F175 WeakPolarHBondContact OG1-CE2 3.46Å; T13-F175 WeakPolarHBondContact OG1-CZ 3.37Å; T13-Y178 HydrophobicContact CG2-CD2 3.41Å; T13-Y178 VanDerWaalsContact CG2-CD2 3.41Å; T13-Y178 HydrophobicContact CG2-CE2 3.64Å
14N98.2Very high97.4Very high48 Ų4817.4 Ų17.426%0.2578%0.084SC..Hα-helixtrans-73.1-30.7-179.2-65.5-37.1000112.3S12 R17 P56 S68S12-N14 PolarHBondContact O-N 3.05Å; N14-R17 WeakPolarHBondContact O-CB 3.39Å; N14-P56 WeakPolarHBondContact O-CG 3.45Å; N14-S68 WeakPolarHBondContact O-CB 3.28Å
15V98.4Very high97.4Very high0 Ų018.5 Ų18.50%09%0.091CC..Hα-helixtrans-67.4-48.8170.8175.50000109.3V6 R9 S12 R17 V18 L19 L31 I55 P56V6-V15 HydrophobicContact CG1-CG1 4.12Å; R9-V15 WeakPolarHBondContact O-CB 3.32Å; S12-V15 WeakPolarHBondContact O-CB 3.42Å; S12-V15 PolarHBondContact O-N 2.88Å; S12-V15 VanDerWaalsContact O-N 3.08Å; V15-R17 PolarHBondContact O-N 3.22Å; V15-V18 WeakPolarHBondContact O-CA 3.47Å; V15-V18 WeakPolarHBondContact O-CB 3.46Å; V15-V18 PolarHBondContact O-N 3.03Å; V15-L19 HydrophobicContact CG1-CD1 4Å; V15-L19 HydrophobicContact CG1-CG 4.08Å; V15-L19 WeakPolarHBondContact O-CG 3.32Å; V15-L19 PolarHBondContact O-N 3.31Å; V15-L31 HydrophobicContact CG1-CD1 3.93Å; V15-I55 HydrophobicContact CG2-CB 4.21Å; V15-I55 HydrophobicContact CG2-CD1 4.1Å; V15-I55 HydrophobicContact CG2-CG1 4.29Å; V15-P56 HydrophobicContact CG2-CB 3.92Å
16S98.2Very high97.4Very high0 Ų017.8 Ų17.80%011%0.105CC..Hα-helixtrans-59-32.2178.9-83.90000114A10 S12 T13 V18 L19 V20 I210 M214A10-S16 PolarHBondContact O-OG 3.2Å; S12-S16 PolarHBondContact O-N 2.64Å; T13-S16 PolarHBondContact O-N 2.66Å; S16-V18 VanDerWaalsContact C-N 3.31Å; S16-V18 PolarHBondContact O-N 2.84Å; S16-L19 PolarHBondContact O-N 3.36Å; S16-V20 WeakPolarHBondContact O-CG2 3.27Å; S16-V20 PolarHBondContact O-N 2.97Å; S16-I210 WeakPolarHBondContact OG-CG2 3.39Å; S16-M214 PolarHBondContact OG-SD 2.93Å
17R98.8Very high97.3Very high2 Ų218.2 Ų18.21%0.00811%0.109CC..Hα-helixtrans-55.6-45.6170.7-167.8-177.7-64.4-101.4-4.9112.2T13 N14 V15 C21 E105 N171 P174T13-R17 PolarHBondContact O-N 3.37Å; N14-R17 WeakPolarHBondContact O-CB 3.39Å; V15-R17 PolarHBondContact O-N 3.22Å; R17-C21 PolarHBondContact O-N 3.27Å; R17-C21 PolarHBondContact O-SG 3.36Å; R17-E105 IonicContact CZ-OE1 3.96Å; R17-E105 IonicContact CZ-OE2 3.44Å; R17-E105 VanDerWaalsContact NH1-CD 3.33Å; R17-E105 IonicContact NH1-OE1 2.67Å; R17-E105 PolarHBondContact NH1-OE1 3.41Å; R17-E105 IonicContact NH1-OE2 3.38Å; R17-E105 PolarHBondContact NH1-OE2 3.04Å; R17-E105 IonicContact NH2-OE1 3.7Å; R17-E105 PolarHBondContact NH2-OE1 3.01Å; R17-E105 IonicContact NH2-OE2 3.62Å; R17-N171 VanDerWaalsContact CD-OD1 3.31Å; R17-N171 WeakPolarHBondContact CD-OD1 3.44Å; R17-N171 VanDerWaalsContact CZ-O 3.23Å; R17-N171 PolarHBondContact NH1-O 2.8Å; R17-N171 PolarHBondContact NH1-OD1 3.2Å; R17-N171 PolarHBondContact NH2-O 3.08Å; R17-P174 HydrophobicContact CB-CG 3.92Å
18V98.8Very high97.2Very high0 Ų023.8 Ų23.80%014%0.139CC..Hα-helixtrans-68.4-46178.3172.10000110.3V6 V15 S16 V20 C21 L22 P56 I71 I75V6-V18 HydrophobicContact CG1-CG1 4.2Å; V6-V18 HydrophobicContact CG2-CG1 3.89Å; V15-V18 WeakPolarHBondContact O-CA 3.47Å; V15-V18 WeakPolarHBondContact O-CB 3.46Å; V15-V18 PolarHBondContact O-N 3.03Å; S16-V18 VanDerWaalsContact C-N 3.31Å; S16-V18 PolarHBondContact O-N 2.84Å; V18-V20 PolarHBondContact O-N 2.89Å; V18-C21 PolarHBondContact O-N 2.87Å; V18-C21 VanDerWaalsContact O-N 3.13Å; V18-L22 HydrophobicContact CG1-CD1 3.98Å; V18-L22 PolarHBondContact O-N 3.36Å; V18-P56 HydrophobicContact CG2-CB 4.43Å; V18-P56 HydrophobicContact CG2-CG 3.85Å; V18-I71 HydrophobicContact CB-CG2 4.25Å; V18-I71 HydrophobicContact CG1-CG2 3.56Å; V18-I71 HydrophobicContact CG2-CB 3.9Å; V18-I71 HydrophobicContact CG2-CD1 4.43Å; V18-I71 HydrophobicContact CG2-CG2 3.62Å; V18-I75 HydrophobicContact CG1-CD1 3.63Å
19L98.7Very high97.3Very high3 Ų326.6 Ų26.62%0.01615%0.15CC..Hα-helixtrans-62.8-40.2-178-58.8-174.7000112.4V6 A10 V15 S16 C21 L22 E23 Y29 L31 I210V6-L19 HydrophobicContact CB-CD2 4.22Å; V6-L19 HydrophobicContact CG1-CD2 4.15Å; V6-L19 HydrophobicContact CG2-CD2 4.12Å; A10-L19 HydrophobicContact CB-CD1 4.01Å; V15-L19 HydrophobicContact CG1-CD1 4Å; V15-L19 HydrophobicContact CG1-CG 4.08Å; V15-L19 WeakPolarHBondContact O-CG 3.32Å; V15-L19 PolarHBondContact O-N 3.31Å; S16-L19 PolarHBondContact O-N 3.36Å; L19-C21 VanDerWaalsContact C-N 3.29Å; L19-C21 PolarHBondContact O-N 3.28Å; L19-L22 HydrophobicContact CD2-CD1 4.19Å; L19-L22 PolarHBondContact O-N 3.38Å; L19-E23 WeakPolarHBondContact O-CG 3.35Å; L19-E23 PolarHBondContact O-N 3.23Å; L19-Y29 HydrophobicContact CD2-CD2 4.04Å; L19-Y29 HydrophobicContact CD2-CE2 3.63Å; L19-L31 HydrophobicContact CD1-CD1 4.45Å; L19-L31 HydrophobicContact CD1-CD2 4.2Å; L19-L31 HydrophobicContact CD2-CD1 4.41Å; L19-I210 HydrophobicContact CB-CD1 3.56Å; L19-I210 HydrophobicContact CB-CG1 4.02Å; L19-I210 HydrophobicContact CB-CG2 4.34Å; L19-I210 HydrophobicContact CD1-CD1 4.37Å
20V98.6Very high97.5Very high1 Ų126.5 Ų26.51%0.00615%0.153CC..Hα-helixtrans-60.3-41.8174.9167.30000111S16 V18 L22 E23 E24 L170 F173 I207 I210S16-V20 WeakPolarHBondContact O-CG2 3.27Å; S16-V20 PolarHBondContact O-N 2.97Å; V18-V20 PolarHBondContact O-N 2.89Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 3.19Å; V20-E23 PolarHBondContact O-N 2.99Å; V20-E24 HydrophobicContact CG1-CG 4.23Å; V20-E24 WeakPolarHBondContact O-CB 3.38Å; V20-E24 VanDerWaalsContact O-CG 3.22Å; V20-E24 WeakPolarHBondContact O-CG 3.48Å; V20-E24 PolarHBondContact O-N 2.93Å; V20-L170 HydrophobicContact CG1-CD1 4.49Å; V20-L170 HydrophobicContact CG1-CD2 4.01Å; V20-F173 HydrophobicContact CG2-CD1 3.54Å; V20-F173 HydrophobicContact CG2-CE1 3.55Å; V20-I207 HydrophobicContact CG1-CG1 4.03Å; V20-I207 HydrophobicContact CG2-CG1 4.23Å; V20-I210 HydrophobicContact CG2-CB 3.81Å; V20-I210 HydrophobicContact CG2-CG1 3.7Å; V20-I210 HydrophobicContact CG2-CG2 4.01Å
21C98.8Very high97.8Very high1 Ų128.7 Ų28.71%0.00716%0.163CC..Hα-helixtrans-66.2-35.7178.2-63.60000112.4R17 V18 L19 V25 A72 I75 L76R17-C21 PolarHBondContact O-N 3.27Å; R17-C21 PolarHBondContact O-SG 3.36Å; V18-C21 PolarHBondContact O-N 2.87Å; V18-C21 VanDerWaalsContact O-N 3.13Å; L19-C21 VanDerWaalsContact C-N 3.29Å; L19-C21 PolarHBondContact O-N 3.28Å; C21-V25 WeakPolarHBondContact O-CG2 3.02Å; C21-V25 PolarHBondContact O-N 3.33Å; C21-A72 HydrophobicContact CB-CB 4.27Å; C21-I75 HydrophobicContact CB-CG2 4.35Å; C21-L76 HydrophobicContact CB-CD2 4.1Å; C21-L76 HydrophobicContact CB-CG 4.33Å
22L98.6Very high98Very high0 Ų028.7 Ų28.70%016%0.164CC..Hα-helixtrans-65-43.1173.9-73.4161.8000111.9V4 V6 V18 L19 V20 V25 G26 A27 Y29 I75V4-L22 HydrophobicContact CG2-CD1 4.4Å; V4-L22 HydrophobicContact CG2-CD2 3.65Å; V6-L22 HydrophobicContact CG2-CD1 3.58Å; V18-L22 HydrophobicContact CG1-CD1 3.98Å; V18-L22 PolarHBondContact O-N 3.36Å; L19-L22 HydrophobicContact CD2-CD1 4.19Å; L19-L22 PolarHBondContact O-N 3.38Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 3.19Å; L22-V25 WeakPolarHBondContact O-CG2 3.48Å; L22-G26 PolarHBondContact O-N 3.17Å; L22-G26 VanDerWaalsContact O-N 3.09Å; L22-A27 HydrophobicContact CD2-CB 3.83Å; L22-A27 PolarHBondContact O-N 2.74Å; L22-Y29 HydrophobicContact CB-CD1 3.63Å; L22-Y29 HydrophobicContact CB-CE1 3.89Å; L22-Y29 HydrophobicContact CB-CG 4.37Å; L22-Y29 HydrophobicContact CD1-CD1 3.87Å; L22-Y29 HydrophobicContact CD1-CD2 4.25Å; L22-Y29 HydrophobicContact CD1-CE1 4.49Å; L22-Y29 HydrophobicContact CD1-CG 3.73Å; L22-Y29 HydrophobicContact CG-CD1 4.19Å; L22-Y29 HydrophobicContact CG-CG 4.48Å; L22-I75 HydrophobicContact CD1-CD1 4.2Å; L22-I75 HydrophobicContact CD2-CB 4.49Å; L22-I75 HydrophobicContact CD2-CD1 3.81Å; L22-I75 HydrophobicContact CD2-CG1 3.84Å; L22-I75 HydrophobicContact CD2-CG2 3.79Å; L22-I75 HydrophobicContact CG-CD1 3.7Å; L22-I75 HydrophobicContact CG-CG1 4.28Å; L22-I75 HydrophobicContact CG-CG2 4.18Å
23E98.4Very high98.1Very high41 Ų4132.1 Ų32.119%0.19219%0.185CC..Hα-helixtrans-67-39.2177-70-65.2162.600112.6L19 V20 V25 G26 Y29 K209 I210L19-E23 WeakPolarHBondContact O-CG 3.35Å; L19-E23 PolarHBondContact O-N 3.23Å; V20-E23 PolarHBondContact O-N 2.99Å; E23-V25 VanDerWaalsContact C-N 3.32Å; E23-V25 PolarHBondContact O-N 3.36Å; E23-G26 PolarHBondContact O-N 2.71Å; E23-Y29 HydrophobicContact CG-CE1 4.32Å; E23-Y29 VanDerWaalsContact OE1-CE1 3.3Å; E23-Y29 WeakPolarHBondContact OE1-CE1 3.43Å; E23-Y29 PolarHBondContact OE1-OH 3Å; E23-K209 HydrophobicContact CG-CD 4.41Å; E23-K209 WeakPolarHBondContact OE1-CE 3.4Å; E23-K209 IonicContact OE1-NZ 3.42Å; E23-K209 PolarHBondContact OE1-NZ 3.27Å; E23-K209 WeakPolarHBondContact OE2-CD 3.38Å; E23-K209 IonicContact OE2-NZ 3.75Å; E23-K209 PolarHBondContact OE2-NZ 2.74Å; E23-I210 HydrophobicContact CG-CD1 3.75Å; E23-I210 HydrophobicContact CG-CG1 4.09Å
24E98.3Very high98Very high20 Ų2031.9 Ų31.99%0.09318%0.183CC..Hα-helixtrans-60.7-40177.6-76.8-71.7165.400112.8V20 L86 L170 R204 S206V20-E24 HydrophobicContact CG1-CG 4.23Å; V20-E24 WeakPolarHBondContact O-CB 3.38Å; V20-E24 VanDerWaalsContact O-CG 3.22Å; V20-E24 WeakPolarHBondContact O-CG 3.48Å; V20-E24 PolarHBondContact O-N 2.93Å; E24-L86 HydrophobicContact CB-CD1 3.8Å; E24-L86 HydrophobicContact CG-CD1 4.17Å; E24-L170 HydrophobicContact CG-CD1 3.8Å; E24-L170 HydrophobicContact CG-CD2 4.49Å; E24-R204 IonicContact OE1-CZ 2.71Å; E24-R204 IonicContact OE1-NE 2.68Å; E24-R204 PolarHBondContact OE1-NE 3.47Å; E24-R204 IonicContact OE1-NH2 3.91Å; E24-R204 PolarHBondContact OE1-NH2 3Å; E24-R204 IonicContact OE2-CZ 3.15Å; E24-R204 IonicContact OE2-NE 3.66Å; E24-R204 IonicContact OE2-NH2 2.74Å; E24-R204 PolarHBondContact OE2-NH2 2.87Å; E24-S206 WeakPolarHBondContact OE1-CB 3.32Å; E24-S206 PolarHBondContact OE1-OG 3.03Å
25V98Very high97.7Very high23 Ų2331.9 Ų31.914%0.13918%0.183CC..Hα-helixtrans-88.7-3.8178.9-56.40000113.1C21 L22 E23 A27 I75 L76 Y79 V84C21-V25 WeakPolarHBondContact O-CG2 3.02Å; C21-V25 PolarHBondContact O-N 3.33Å; L22-V25 WeakPolarHBondContact O-CG2 3.48Å; E23-V25 VanDerWaalsContact C-N 3.32Å; E23-V25 PolarHBondContact O-N 3.36Å; V25-A27 VanDerWaalsContact C-N 3.35Å; V25-A27 HydrophobicContact CG2-CB 3.77Å; V25-I75 HydrophobicContact CG2-CG2 3.79Å; V25-L76 HydrophobicContact CG1-CD2 3.69Å; V25-Y79 HydrophobicContact CG2-CD2 4.13Å; V25-Y79 HydrophobicContact CG2-CG 3.98Å; V25-V84 HydrophobicContact CG1-CG1 4.01Å
26G96.9Very high97.2Very high61 Ų6133.5 Ų33.563%0.62919%0.19SC*.THydrogen-bonded Turntrans64.734.6-178.700000113.7L22 E23L22-G26 PolarHBondContact O-N 3.17Å; L22-G26 VanDerWaalsContact O-N 3.09Å; E23-G26 PolarHBondContact O-N 2.71Å
27A97.4Very high96.6Very high10 Ų1038.7 Ų38.78%0.08322%0.217CC..  trans-83.1139.5178.600000111.7L22 V25 Y29 Y79L22-A27 HydrophobicContact CD2-CB 3.83Å; L22-A27 PolarHBondContact O-N 2.74Å; V25-A27 VanDerWaalsContact C-N 3.35Å; V25-A27 HydrophobicContact CG2-CB 3.77Å; A27-Y29 WeakPolarHBondContact O-CD1 3.44Å; A27-Y79 HydrophobicContact CB-CD1 3.9Å; A27-Y79 HydrophobicContact CB-CD2 3.89Å; A27-Y79 HydrophobicContact CB-CE1 3.78Å; A27-Y79 HydrophobicContact CB-CE2 3.78Å; A27-Y79 HydrophobicContact CB-CG 3.95Å
28D97.3Very high96.2Very high124 Ų12441.9 Ų41.966%0.66324%0.244SC*.  trans-71.4132.2169-63.7-42000110.6P3 V4P3-D28 WeakPolarHBondContact CA-O 3.33Å; P3-D28 HydrophobicContact CB-CB 4.15Å; V4-D28 PolarHBondContact N-O 2.68Å
29Y98.4Very high95.9Very high59 Ų5943.1 Ų43.123%0.23126%0.257CS..EExtended strand (participates in β ladder)trans-145.2154.7178.467.8-92.4000112.8V4 L19 L22 E23 A27V4-Y29 CarbonylContact O-C 3.47Å; V4-Y29 WeakPolarHBondContact O-CA 3.44Å; V4-Y29 WeakPolarHBondContact O-CB 3.42Å; L19-Y29 HydrophobicContact CD2-CD2 4.04Å; L19-Y29 HydrophobicContact CD2-CE2 3.63Å; L22-Y29 HydrophobicContact CB-CD1 3.63Å; L22-Y29 HydrophobicContact CB-CE1 3.89Å; L22-Y29 HydrophobicContact CB-CG 4.37Å; L22-Y29 HydrophobicContact CD1-CD1 3.87Å; L22-Y29 HydrophobicContact CD1-CD2 4.25Å; L22-Y29 HydrophobicContact CD1-CE1 4.49Å; L22-Y29 HydrophobicContact CD1-CG 3.73Å; L22-Y29 HydrophobicContact CG-CD1 4.19Å; L22-Y29 HydrophobicContact CG-CG 4.48Å; E23-Y29 HydrophobicContact CG-CE1 4.32Å; E23-Y29 VanDerWaalsContact OE1-CE1 3.3Å; E23-Y29 WeakPolarHBondContact OE1-CE1 3.43Å; E23-Y29 PolarHBondContact OE1-OH 3Å; A27-Y29 WeakPolarHBondContact O-CD1 3.44Å
30E98.1Very high95.8Very high81 Ų8147.2 Ų47.238%0.37928%0.276SS..EExtended strand (participates in β ladder)trans-107.6126.4169.6-176.1-171.5167.900108.6V4 K5 V6 V32V4-E30 PolarHBondContact O-N 3.03Å; K5-E30 CarbonylContact C-O 3.6Å; K5-E30 WeakPolarHBondContact CA-O 3.4Å; K5-E30 WeakPolarHBondContact CD-OE2 3.16Å; K5-E30 WeakPolarHBondContact CE-OE2 3.27Å; K5-E30 HydrophobicContact CG-CB 4.3Å; K5-E30 IonicContact NZ-OE1 2.84Å; K5-E30 IonicContact NZ-OE2 2.66Å; K5-E30 PolarHBondContact NZ-OE2 3.31Å; V6-E30 PolarHBondContact N-O 3.37Å; E30-V32 HydrophobicContact CG-CG2 4.03Å
31L97.8Very high95.6Very high60 Ų6048.9 Ų48.931%0.31428%0.284SS..EExtended strand (participates in β ladder)trans-91.4104.4169.8-179.963.1000108.8V6 G8 A10 V15 L19V6-L31 HydrophobicContact CB-CD1 4.22Å; V6-L31 HydrophobicContact CG1-CD1 4.18Å; V6-L31 CarbonylContact O-C 3.59Å; G8-L31 WeakPolarHBondContact O-CD1 3.34Å; A10-L31 HydrophobicContact CB-CD2 4.21Å; V15-L31 HydrophobicContact CG1-CD1 3.93Å; L19-L31 HydrophobicContact CD1-CD1 4.45Å; L19-L31 HydrophobicContact CD1-CD2 4.2Å; L19-L31 HydrophobicContact CD2-CD1 4.41Å
32V97.9Very high95.5Very high37 Ų3753.8 Ų53.822%0.22431%0.31CS..EExtended strand (participates in β ladder)trans-88.1113.5177.1-175.80000108.6K5 V6 F7 G8 E30 V34K5-V32 HydrophobicContact CB-CG2 4.14Å; K5-V32 HydrophobicContact CD-CG2 4.14Å; K5-V32 HydrophobicContact CG-CG2 4.48Å; V6-V32 PolarHBondContact O-N 2.81Å; F7-V32 CarbonylContact C-O 3.58Å; F7-V32 WeakPolarHBondContact CA-O 3.45Å; F7-V32 HydrophobicContact CD1-CB 3.72Å; F7-V32 HydrophobicContact CD1-CG1 3.74Å; F7-V32 HydrophobicContact CD1-CG2 4.37Å; F7-V32 HydrophobicContact CE1-CB 3.91Å; F7-V32 HydrophobicContact CE1-CG1 3.8Å; F7-V32 HydrophobicContact CE1-CG2 4.1Å; F7-V32 HydrophobicContact CG-CB 4.4Å; G8-V32 PolarHBondContact N-O 3.41Å; E30-V32 HydrophobicContact CG-CG2 4.03Å; V32-V34 PolarHBondContact O-N 2.88Å
33T97Very high95.4Very high92 Ų9255.4 Ų55.456%0.56432%0.321SS*.  trans-59.7130.8180-62.60000111G8 R9G8-T33 WeakPolarHBondContact O-CA 3.45Å; R9-T33 HydrophobicContact CG-CG2 3.96Å
34V96.6Very high95.4Very high7 Ų758 Ų584%0.04234%0.341CS..  trans-123.4112.9162.8177.80000106.2F7 V32 F36 E40 Q41 I55F7-V34 HydrophobicContact CB-CG2 3.91Å; F7-V34 HydrophobicContact CD1-CG2 4.48Å; V32-V34 PolarHBondContact O-N 2.88Å; V34-F36 PolarHBondContact O-N 2.8Å; V34-E40 HydrophobicContact CG1-CB 3.94Å; V34-Q41 HydrophobicContact CG1-CB 4.14Å; V34-I55 HydrophobicContact CB-CG2 4.09Å; V34-I55 HydrophobicContact CG1-CG2 4.04Å
35D91.3Very high95.3Very high47 Ų4762.4 Ų62.425%0.25136%0.362SS..  trans-80.190.4-177.2-166.27.8000111.3R9 L37 A38 G39 E40R9-D35 IonicContact NH1-OD1 2.67Å; R9-D35 PolarHBondContact NH1-OD1 3.14Å; R9-D35 VanDerWaalsContact NH1-OD1 3.09Å; D35-L37 PolarHBondContact O-N 3.16Å; D35-L37 PolarHBondContact OD1-N 2.94Å; D35-A38 HydrophobicContact CB-CB 4.05Å; D35-A38 PolarHBondContact O-N 3.33Å; D35-A38 VanDerWaalsContact O-N 3.09Å; D35-G39 PolarHBondContact O-N 3.07Å; D35-E40 HydrophobicContact CB-CG 4.28Å; D35-E40 PolarHBondContact N-OE2 3.01Å; D35-E40 PolarHBondContact O-N 3.2Å; D35-E40 VanDerWaalsContact O-N 3.15Å
36F86.5Confident95.3Very high35 Ų3561.3 Ų61.315%0.15436%0.356CS..THydrogen-bonded Turntrans-69-16.5-177.873-92.2000113.7I11 V34 G39 Q41 I55 M126I11-F36 HydrophobicContact CG2-CE1 3.85Å; I11-F36 HydrophobicContact CG2-CZ 4.35Å; V34-F36 PolarHBondContact O-N 2.8Å; F36-G39 PolarHBondContact O-N 2.88Å; F36-Q41 PolarHBondContact O-NE2 3.33Å; F36-Q41 PolarHBondContact O-OE1 2.92Å; F36-I55 HydrophobicContact CB-CD1 4.22Å; F36-I55 HydrophobicContact CD1-CD1 3.71Å; F36-I55 HydrophobicContact CG-CD1 4.21Å; F36-M126 HydrophobicContact CD2-CE 4.41Å; F36-M126 HydrophobicContact CE2-CE 3.23Å; F36-M126 HydrophobicContact CE2-SD 3.82Å; F36-M126 HydrophobicContact CZ-CE 3.51Å
37L85.5Confident95.3Very high108 Ų10861 Ų6157%0.56534%0.341SS*.THydrogen-bonded Turntrans-75.5-33.1173.1-64.3175.4000111.2D35 G39 M126D35-L37 PolarHBondContact O-N 3.16Å; D35-L37 PolarHBondContact OD1-N 2.94Å; L37-G39 VanDerWaalsContact C-N 3.26Å; L37-M126 HydrophobicContact CD2-CG 4.13Å; L37-M126 HydrophobicContact CD2-SD 4.42Å
38A91.2Very high95.3Very high69 Ų6968.6 Ų68.657%0.5738%0.375SS*.THydrogen-bonded Turntrans-81.5-4.417200000113D35 E40D35-A38 HydrophobicContact CB-CB 4.05Å; D35-A38 PolarHBondContact O-N 3.33Å; D35-A38 VanDerWaalsContact O-N 3.09Å; A38-E40 HydrophobicContact CB-CG 4.3Å
39G92.8Very high95.3Very high27 Ų2765.7 Ų65.728%0.27836%0.355SS..THydrogen-bonded Turntrans82.810.4179.800000114.6D35 F36 L37 Q41 N42D35-G39 PolarHBondContact O-N 3.07Å; F36-G39 PolarHBondContact O-N 2.88Å; L37-G39 VanDerWaalsContact C-N 3.26Å; G39-Q41 PolarHBondContact O-N 3.18Å; G39-Q41 VanDerWaalsContact O-N 3.11Å; G39-Q41 PolarHBondContact O-OE1 3.41Å; G39-N42 WeakPolarHBondContact O-CB 3.38Å; G39-N42 PolarHBondContact O-N 2.99Å; G39-N42 PolarHBondContact O-ND2 3.09Å
40E95.6Very high95.3Very high89 Ų8963.1 Ų63.142%0.41635%0.345SS..G310 helixtrans-60.5-22-176.4-68.5-175.5169.600113.9V34 D35 A38 N42 S43V34-E40 HydrophobicContact CG1-CB 3.94Å; D35-E40 HydrophobicContact CB-CG 4.28Å; D35-E40 PolarHBondContact N-OE2 3.01Å; D35-E40 PolarHBondContact O-N 3.2Å; D35-E40 VanDerWaalsContact O-N 3.15Å; A38-E40 HydrophobicContact CB-CG 4.3Å; E40-N42 PolarHBondContact O-N 2.85Å; E40-N42 VanDerWaalsContact O-N 3.13Å; E40-S43 VanDerWaalsContact O-CB 3.25Å; E40-S43 WeakPolarHBondContact O-CB 3.46Å; E40-S43 PolarHBondContact O-N 3.31Å; E40-S43 PolarHBondContact O-OG 3.43Å
41Q95.6Very high95.3Very high36 Ų3663.2 Ų63.217%0.16835%0.353CS..G310 helixtrans-62.9-15.5173.277.2-77.818.300113.3V34 F36 G39 H46 G53 I55V34-Q41 HydrophobicContact CG1-CB 4.14Å; F36-Q41 PolarHBondContact O-NE2 3.33Å; F36-Q41 PolarHBondContact O-OE1 2.92Å; G39-Q41 PolarHBondContact O-N 3.18Å; G39-Q41 VanDerWaalsContact O-N 3.11Å; G39-Q41 PolarHBondContact O-OE1 3.41Å; Q41-H46 PolarHBondContact O-CD2 3.19Å; Q41-G53 WeakPolarHBondContact CG-O 3.41Å; Q41-G53 CarbonylContact O-C 3.55Å; Q41-G53 VanDerWaalsContact O-CA 3.24Å; Q41-G53 WeakPolarHBondContact O-CA 3.29Å; Q41-I55 HydrophobicContact CB-CG2 4.37Å
42N96.1Very high95.3Very high104 Ų10466.7 Ų66.756%0.55637%0.365SS*.G310 helixtrans-1002175.7-53.4-60.5000112.8G39 E40G39-N42 WeakPolarHBondContact O-CB 3.38Å; G39-N42 PolarHBondContact O-N 2.99Å; G39-N42 PolarHBondContact O-ND2 3.09Å; E40-N42 PolarHBondContact O-N 2.85Å; E40-N42 VanDerWaalsContact O-N 3.13Å
43S97.3Very high95.3Very high33 Ų3365.4 Ų65.423%0.23136%0.36CS..SBendtrans-62.2148.1174.961.80000111E40 E45 H46 V47E40-S43 VanDerWaalsContact O-CB 3.25Å; E40-S43 WeakPolarHBondContact O-CB 3.46Å; E40-S43 PolarHBondContact O-N 3.31Å; E40-S43 PolarHBondContact O-OG 3.43Å; S43-E45 WeakPolarHBondContact CB-OE2 3.44Å; S43-E45 PolarHBondContact O-N 3.3Å; S43-H46 PolarHBondContact O-N 3.07Å; S43-H46 VanDerWaalsContact O-N 3.09Å; S43-H46 WeakPolarHBondContact OG-CB 3.29Å; S43-H46 PolarHBondContact OG-N 2.82Å; S43-V47 WeakPolarHBondContact O-CB 3.44Å; S43-V47 WeakPolarHBondContact O-CG2 3.48Å; S43-V47 PolarHBondContact O-N 3.32Å
44P97.2Very high95.3Very high95 Ų9567 Ų6762%0.61736%0.359SS*.Hα-helixtrans-51.3-42.2174.8-26.835.3000112.4H46 V47 E48P44-H46 VanDerWaalsContact C-N 3.31Å; P44-H46 PolarHBondContact O-N 2.95Å; P44-V47 PolarHBondContact O-N 3.49Å; P44-E48 WeakPolarHBondContact O-CG 3.08Å; P44-E48 PolarHBondContact O-N 2.91Å
45E95.9Very high95.4Very high113 Ų11367.6 Ų67.653%0.52836%0.362SS..Hα-helixtrans-63.3-33.9-178.9-60.981.6179.100112.7S43 R49S43-E45 WeakPolarHBondContact CB-OE2 3.44Å; S43-E45 PolarHBondContact O-N 3.3Å; E45-R49 VanDerWaalsContact O-CZ 3.25Å; E45-R49 PolarHBondContact O-NH1 2.9Å
46H97.9Very high95.7Very high1 Ų165.5 Ų65.51%0.00535%0.351CS..Hα-helixtrans-87.6-32.3177-166.871.6000112.8Q41 S43 P44 E48 R49 N50 K54Q41-H46 PolarHBondContact O-CD2 3.19Å; S43-H46 PolarHBondContact O-N 3.07Å; S43-H46 VanDerWaalsContact O-N 3.09Å; S43-H46 WeakPolarHBondContact OG-CB 3.29Å; S43-H46 PolarHBondContact OG-N 2.82Å; P44-H46 VanDerWaalsContact C-N 3.31Å; P44-H46 PolarHBondContact O-N 2.95Å; H46-E48 VanDerWaalsContact C-N 3.25Å; H46-E48 PolarHBondContact O-N 2.73Å; H46-R49 WeakPolarHBondContact O-CA 3.21Å; H46-R49 WeakPolarHBondContact O-CB 3.41Å; H46-R49 PolarHBondContact O-N 3.15Å; H46-N50 PolarHBondContact O-N 2.86Å; H46-K54 PolarHBondContact NE2-O 3.01Å
47V97.7Very high96.3Very high54 Ų5463.9 Ų63.933%0.32734%0.344SS..Hα-helixtrans-63.9-32.6174.8170.60000111.2S43 P44 R49 N50 P51S43-V47 WeakPolarHBondContact O-CB 3.44Å; S43-V47 WeakPolarHBondContact O-CG2 3.48Å; S43-V47 PolarHBondContact O-N 3.32Å; P44-V47 PolarHBondContact O-N 3.49Å; V47-R49 PolarHBondContact O-N 3.31Å; V47-N50 WeakPolarHBondContact CA-O 3.34Å; V47-N50 CarbonylContact O-C 3.58Å; V47-N50 PolarHBondContact O-N 3.46Å; V47-P51 WeakPolarHBondContact O-CA 3.46Å
48E97.6Very high96.9Very high169 Ų16958.7 Ų58.779%0.7932%0.317SS*.THydrogen-bonded Turntrans-58.8-30.3168.8-77.9-178.8179.800112.9P44 H46P44-E48 WeakPolarHBondContact O-CG 3.08Å; P44-E48 PolarHBondContact O-N 2.91Å; H46-E48 VanDerWaalsContact C-N 3.25Å; H46-E48 PolarHBondContact O-N 2.73Å
49R98Very high97.3Very high64 Ų6458.6 Ų58.624%0.24230%0.304CS..THydrogen-bonded Turntrans-86.5-39.2177.9-52.2179.4-168.8102.99.7112.9F7 E45 H46 V47 A57 V64F7-R49 VanDerWaalsContact CE1-CZ 3.45Å; F7-R49 VanDerWaalsContact CE1-NE 3.28Å; E45-R49 VanDerWaalsContact O-CZ 3.25Å; E45-R49 PolarHBondContact O-NH1 2.9Å; H46-R49 WeakPolarHBondContact O-CA 3.21Å; H46-R49 WeakPolarHBondContact O-CB 3.41Å; H46-R49 PolarHBondContact O-N 3.15Å; V47-R49 PolarHBondContact O-N 3.31Å; R49-A57 HydrophobicContact CB-CB 3.74Å; R49-V64 HydrophobicContact CB-CG1 3.83Å; R49-V64 HydrophobicContact CG-CG1 4.28Å
50N98.4Very high97.5Very high4 Ų459.2 Ų59.22%0.02130%0.301CS..  trans-137.6103.3176.5-175.8-14000109.7H46 V47 F52 G53 K54 A57 F66H46-N50 PolarHBondContact O-N 2.86Å; V47-N50 WeakPolarHBondContact CA-O 3.34Å; V47-N50 CarbonylContact O-C 3.58Å; V47-N50 PolarHBondContact O-N 3.46Å; N50-F52 PolarHBondContact O-N 2.97Å; N50-F52 WeakPolarHBondContact OD1-CB 3.49Å; N50-F52 PolarHBondContact OD1-N 3.31Å; N50-G53 PolarHBondContact O-N 3.12Å; N50-K54 PolarHBondContact ND2-O 3.46Å; N50-A57 HydrophobicContact CB-CB 4.42Å; N50-F66 HydrophobicContact CB-CB 3.87Å; N50-F66 HydrophobicContact CB-CG 4.41Å
51P98.1Very high97.6Very high84 Ų8457.4 Ų57.455%0.54531%0.307SS..THydrogen-bonded Turntrans-65-11.5-174.527-35.4000113.6V47 G53 F66V47-P51 WeakPolarHBondContact O-CA 3.46Å; P51-G53 VanDerWaalsContact C-N 3.34Å; P51-F66 HydrophobicContact CG-CE1 4.36Å; P51-F66 HydrophobicContact CG-CZ 4.46Å
52F98.1Very high97.6Very high132 Ų13263.8 Ų63.858%0.57934%0.342SS*.THydrogen-bonded Turntrans-87.61.4175.5-60.5-75.8000113.9N50 K54 F66N50-F52 PolarHBondContact O-N 2.97Å; N50-F52 WeakPolarHBondContact OD1-CB 3.49Å; N50-F52 PolarHBondContact OD1-N 3.31Å; F52-K54 VanDerWaalsContact C-N 3.34Å; F52-K54 HydrophobicContact CB-CD 4.47Å; F52-K54 HydrophobicContact CB-CG 4.44Å; F52-K54 PolarHBondContact O-N 3.42Å; F52-F66 HydrophobicContact CD2-CD2 4.17Å; F52-F66 AromaticContact CD2-CE2 3.81Å; F52-F66 HydrophobicContact CD2-CE2 3.81Å; F52-F66 HydrophobicContact CD2-CZ 4.44Å; F52-F66 HydrophobicContact CE2-CD2 4.38Å; F52-F66 AromaticContact CE2-CE2 3.57Å; F52-F66 HydrophobicContact CE2-CE2 3.57Å; F52-F66 HydrophobicContact CE2-CZ 4Å
53G96.7Very high97.7Very high10 Ų1062.2 Ų62.210%0.10333%0.333CS..SBendtrans62.939.5-179.700000112.8Q41 N50 P51Q41-G53 WeakPolarHBondContact CG-O 3.41Å; Q41-G53 CarbonylContact O-C 3.55Å; Q41-G53 VanDerWaalsContact O-CA 3.24Å; Q41-G53 WeakPolarHBondContact O-CA 3.29Å; N50-G53 PolarHBondContact O-N 3.12Å; P51-G53 VanDerWaalsContact C-N 3.34Å
54K97.3Very high97.8Very high125 Ų12563.6 Ų63.654%0.54334%0.34SS..  trans-124.4160.5-177.8-67-178.8-174.5175.70112H46 N50 F52H46-K54 PolarHBondContact NE2-O 3.01Å; N50-K54 PolarHBondContact ND2-O 3.46Å; F52-K54 VanDerWaalsContact C-N 3.34Å; F52-K54 HydrophobicContact CB-CD 4.47Å; F52-K54 HydrophobicContact CB-CG 4.44Å; F52-K54 PolarHBondContact O-N 3.42Å
55I97.6Very high97.9Very high20 Ų2061 Ų6110%0.10332%0.32CS..SBendtrans-112.6149.2168.657.3171.5000109.9V15 V34 F36 Q41V15-I55 HydrophobicContact CG2-CB 4.21Å; V15-I55 HydrophobicContact CG2-CD1 4.1Å; V15-I55 HydrophobicContact CG2-CG1 4.29Å; V34-I55 HydrophobicContact CB-CG2 4.09Å; V34-I55 HydrophobicContact CG1-CG2 4.04Å; F36-I55 HydrophobicContact CB-CD1 4.22Å; F36-I55 HydrophobicContact CD1-CD1 3.71Å; F36-I55 HydrophobicContact CG-CD1 4.21Å; Q41-I55 HydrophobicContact CB-CG2 4.37Å
56P98.5Very high98Very high4 Ų459.1 Ų59.13%0.02631%0.311CS..  cis-78.1161.20.631.7-35.5000114V6 F7 N14 V15 V18 I71V6-P56 HydrophobicContact CG1-CB 4.28Å; F7-P56 WeakPolarHBondContact O-CA 3.42Å; N14-P56 WeakPolarHBondContact O-CG 3.45Å; V15-P56 HydrophobicContact CG2-CB 3.92Å; V18-P56 HydrophobicContact CG2-CB 4.43Å; V18-P56 HydrophobicContact CG2-CG 3.85Å; P56-I71 HydrophobicContact CB-CD1 4.25Å; P56-I71 HydrophobicContact CG-CD1 3.99Å
57A98.7Very high98Very high0 Ų063.6 Ų63.60%033%0.332CS..EExtended strand (participates in β ladder)trans-117.7159.5148.800000108.9F7 R49 N50 L65F7-A57 HydrophobicContact CB-CB 4.25Å; F7-A57 HydrophobicContact CD2-CB 4.29Å; F7-A57 PolarHBondContact N-O 3.46Å; F7-A57 PolarHBondContact O-N 3.44Å; R49-A57 HydrophobicContact CB-CB 3.74Å; N50-A57 HydrophobicContact CB-CB 4.42Å; A57-L65 CarbonylContact C-O 3.52Å; A57-L65 VanDerWaalsContact CA-O 3.28Å; A57-L65 WeakPolarHBondContact CA-O 3.2Å
58L98.7Very high98.1Very high0 Ų061.2 Ų61.20%032%0.317CS..EExtended strand (participates in β ladder)trans-128.1141.5173.1178.6143.2000110.3V4 K5 V6 D60 V64 L65 I71 Y74 I75V4-L58 HydrophobicContact CB-CD1 4.27Å; V4-L58 HydrophobicContact CG2-CD1 4.18Å; K5-L58 CarbonylContact O-C 3.6Å; K5-L58 VanDerWaalsContact O-CA 3.23Å; K5-L58 WeakPolarHBondContact O-CA 3.44Å; V6-L58 HydrophobicContact CG2-CD1 4.21Å; L58-D60 HydrophobicContact CD2-CB 4.25Å; L58-V64 CarbonylContact O-C 3.15Å; L58-V64 WeakPolarHBondContact O-CA 3.16Å; L58-L65 HydrophobicContact CD2-CD1 4.29Å; L58-L65 PolarHBondContact N-O 2.92Å; L58-L65 PolarHBondContact O-N 3.32Å; L58-I71 HydrophobicContact CB-CD1 4.05Å; L58-I71 HydrophobicContact CB-CG1 4.05Å; L58-I71 HydrophobicContact CB-CG2 3.66Å; L58-I71 HydrophobicContact CD1-CG2 3.57Å; L58-I71 HydrophobicContact CG-CG2 4.16Å; L58-Y74 HydrophobicContact CD2-CD1 4.3Å; L58-Y74 HydrophobicContact CD2-CE1 4.07Å; L58-I75 HydrophobicContact CD1-CD1 3.92Å; L58-I75 HydrophobicContact CD1-CG1 4.17Å
59Q98.6Very high98.1Very high66 Ų6655.5 Ų55.531%0.30829%0.289SS..EExtended strand (participates in β ladder)trans-122129.8169.7-177.2177.33.700110.9K5 F7 G61 L63 V64K5-Q59 HydrophobicContact CB-CB 4.36Å; K5-Q59 PolarHBondContact N-O 2.84Å; K5-Q59 PolarHBondContact O-N 3.39Å; F7-Q59 HydrophobicContact CE2-CB 3.69Å; F7-Q59 HydrophobicContact CZ-CB 4.34Å; Q59-G61 VanDerWaalsContact CG-O 3.27Å; Q59-G61 WeakPolarHBondContact CG-O 3.48Å; Q59-G61 PolarHBondContact NE2-O 2.95Å; Q59-L63 CarbonylContact C-O 3.49Å; Q59-L63 WeakPolarHBondContact CA-O 3.45Å; Q59-V64 HydrophobicContact CG-CG2 4.32Å
60D98.3Very high98.2Very high40 Ų4054.9 Ų54.921%0.21430%0.297CS..EExtended strand (participates in β ladder)trans-129.799.3170-178.947.4000110V4 L58 D62 L63 Y74 K78V4-D60 HydrophobicContact CG1-CB 3.88Å; V4-D60 WeakPolarHBondContact CG1-OD1 3.3Å; L58-D60 HydrophobicContact CD2-CB 4.25Å; D60-D62 PolarHBondContact O-N 2.97Å; D60-L63 PolarHBondContact N-O 3.23Å; D60-L63 WeakPolarHBondContact O-CB 3.37Å; D60-L63 PolarHBondContact O-N 2.82Å; D60-Y74 HydrophobicContact CB-CE1 4.42Å; D60-Y74 PolarHBondContact OD2-OH 2.79Å; D60-K78 IonicContact OD1-NZ 2.66Å; D60-K78 PolarHBondContact OD1-NZ 2.83Å; D60-K78 IonicContact OD2-NZ 2.87Å; D60-K78 PolarHBondContact OD2-NZ 2.85Å
61G96.6Very high98.2Very high52 Ų5254.7 Ų54.754%0.53630%0.296SS..THydrogen-bonded Turntrans58.6-121.6-167.700000110.6Q59Q59-G61 VanDerWaalsContact CG-O 3.27Å; Q59-G61 WeakPolarHBondContact CG-O 3.48Å; Q59-G61 PolarHBondContact NE2-O 2.95Å
62D96.6Very high98.2Very high169 Ų16950.7 Ų50.790%0.90427%0.27SS*.THydrogen-bonded Turntrans-87.2-9179-56-33.5000112.9D60D60-D62 PolarHBondContact O-N 2.97Å
63L98.2Very high98.3Very high72 Ų7247.3 Ų47.338%0.37726%0.255SS..EExtended strand (participates in β ladder)trans-80.3122.1178.1-17964.9000110.1Q59 D60 L65 Y74Q59-L63 CarbonylContact C-O 3.49Å; Q59-L63 WeakPolarHBondContact CA-O 3.45Å; D60-L63 PolarHBondContact N-O 3.23Å; D60-L63 WeakPolarHBondContact O-CB 3.37Å; D60-L63 PolarHBondContact O-N 2.82Å; L63-L65 HydrophobicContact CD1-CD2 3.91Å; L63-L65 HydrophobicContact CD1-CG 4.39Å; L63-L65 HydrophobicContact CD2-CD1 4.09Å; L63-L65 HydrophobicContact CD2-CD2 4.33Å; L63-L65 HydrophobicContact CD2-CG 4.22Å; L63-L65 HydrophobicContact CG-CD1 4.43Å; L63-L65 HydrophobicContact CG-CD2 4.09Å; L63-L65 HydrophobicContact CG-CG 4.02Å; L63-Y74 HydrophobicContact CD2-CD2 4.18Å; L63-Y74 HydrophobicContact CD2-CE2 3.5Å
64V98.4Very high98.4Very high61 Ų6149.3 Ų49.337%0.3726%0.26SS..EExtended strand (participates in β ladder)trans-116.1129.8173.6-173.90000109.9R49 L58 Q59R49-V64 HydrophobicContact CB-CG1 3.83Å; R49-V64 HydrophobicContact CG-CG1 4.28Å; L58-V64 CarbonylContact O-C 3.15Å; L58-V64 WeakPolarHBondContact O-CA 3.16Å; Q59-V64 HydrophobicContact CG-CG2 4.32Å
65L98.8Very high98.4Very high40 Ų4043.3 Ų43.321%0.20923%0.234CC..EExtended strand (participates in β ladder)trans-128.2149.8-176.1-59.8177.9000110.8A57 L58 L63 I71 Y74A57-L65 CarbonylContact C-O 3.52Å; A57-L65 VanDerWaalsContact CA-O 3.28Å; A57-L65 WeakPolarHBondContact CA-O 3.2Å; L58-L65 HydrophobicContact CD2-CD1 4.29Å; L58-L65 PolarHBondContact N-O 2.92Å; L58-L65 PolarHBondContact O-N 3.32Å; L63-L65 HydrophobicContact CD1-CD2 3.91Å; L63-L65 HydrophobicContact CD1-CG 4.39Å; L63-L65 HydrophobicContact CD2-CD1 4.09Å; L63-L65 HydrophobicContact CD2-CD2 4.33Å; L63-L65 HydrophobicContact CD2-CG 4.22Å; L63-L65 HydrophobicContact CG-CD1 4.43Å; L63-L65 HydrophobicContact CG-CD2 4.09Å; L63-L65 HydrophobicContact CG-CG 4.02Å; L65-I71 HydrophobicContact CB-CG1 3.82Å; L65-Y74 HydrophobicContact CD1-CD1 3.66Å; L65-Y74 HydrophobicContact CD1-CD2 4Å; L65-Y74 HydrophobicContact CD1-CE1 4.24Å; L65-Y74 HydrophobicContact CD1-CG 3.52Å
66F98.7Very high98.5Very high74 Ų7442.8 Ų42.833%0.32523%0.231SC..EExtended strand (participates in β ladder)trans-134.2-179.416962.2-88.3000109.4N50 P51 F52N50-F66 HydrophobicContact CB-CB 3.87Å; N50-F66 HydrophobicContact CB-CG 4.41Å; P51-F66 HydrophobicContact CG-CE1 4.36Å; P51-F66 HydrophobicContact CG-CZ 4.46Å; F52-F66 HydrophobicContact CD2-CD2 4.17Å; F52-F66 AromaticContact CD2-CE2 3.81Å; F52-F66 HydrophobicContact CD2-CE2 3.81Å; F52-F66 HydrophobicContact CD2-CZ 4.44Å; F52-F66 HydrophobicContact CE2-CD2 4.38Å; F52-F66 AromaticContact CE2-CE2 3.57Å; F52-F66 HydrophobicContact CE2-CE2 3.57Å; F52-F66 HydrophobicContact CE2-CZ 4Å
67E98.7Very high98.5Very high95 Ų9548.6 Ų48.644%0.44425%0.253SS..SBendtrans65.9111.8-166.7-73.7-60147.200113.4R69 A70 I71E67-R69 VanDerWaalsContact C-N 3.29Å; E67-R69 PolarHBondContact O-N 3.42Å; E67-R69 VanDerWaalsContact O-N 3.17Å; E67-A70 HydrophobicContact CB-CB 4.03Å; E67-A70 WeakPolarHBondContact O-CB 3.38Å; E67-A70 PolarHBondContact O-N 3.23Å; E67-I71 WeakPolarHBondContact O-CG1 3.35Å; E67-I71 PolarHBondContact O-N 2.93Å
68S98.9Very high98.4Very high4 Ų451.6 Ų51.63%0.02827%0.266CS..Hα-helixtrans-60.2-34.7-17054.20000113.8N14 A72N14-S68 WeakPolarHBondContact O-CB 3.28Å; S68-A72 VanDerWaalsContact O-CB 3.23Å; S68-A72 WeakPolarHBondContact O-CB 3.19Å; S68-A72 PolarHBondContact O-N 3.41Å
69R98.8Very high98.4Very high50 Ų5054 Ų5419%0.18928%0.275CS..Hα-helixtrans-73.4-32.9176.4-66.8-173.8-17078.90112.2E67 K73 E105 F167E67-R69 VanDerWaalsContact C-N 3.29Å; E67-R69 PolarHBondContact O-N 3.42Å; E67-R69 VanDerWaalsContact O-N 3.17Å; R69-K73 WeakPolarHBondContact O-CG 3.39Å; R69-K73 PolarHBondContact O-N 2.89Å; R69-E105 IonicContact CZ-OE2 3.03Å; R69-E105 IonicContact NE-OE2 2.8Å; R69-E105 PolarHBondContact NE-OE2 3.01Å; R69-E105 IonicContact NH2-OE1 3.52Å; R69-E105 PolarHBondContact NH2-OE1 3.33Å; R69-E105 IonicContact NH2-OE2 2.69Å; R69-E105 PolarHBondContact NH2-OE2 3.32Å; R69-F167 HydrophobicContact CB-CZ 4.16Å; R69-F167 HydrophobicContact CG-CZ 4.28Å
70A98.9Very high98.3Very high50 Ų5055 Ų5541%0.41328%0.278SS..Hα-helixtrans-69.6-47.2174.800000110.9E67 A72 K73 Y74E67-A70 HydrophobicContact CB-CB 4.03Å; E67-A70 WeakPolarHBondContact O-CB 3.38Å; E67-A70 PolarHBondContact O-N 3.23Å; A70-A72 VanDerWaalsContact C-N 3.33Å; A70-A72 PolarHBondContact O-N 2.88Å; A70-K73 PolarHBondContact O-N 3.33Å; A70-Y74 PolarHBondContact O-N 3.31Å
71I98.9Very high98.1Very high0 Ų055.5 Ų55.50%029%0.285CS..Hα-helixtrans-55.8-48.4173.6-67.1165.7000110.7V18 P56 L58 L65 E67 K73 Y74 I75V18-I71 HydrophobicContact CB-CG2 4.25Å; V18-I71 HydrophobicContact CG1-CG2 3.56Å; V18-I71 HydrophobicContact CG2-CB 3.9Å; V18-I71 HydrophobicContact CG2-CD1 4.43Å; V18-I71 HydrophobicContact CG2-CG2 3.62Å; P56-I71 HydrophobicContact CB-CD1 4.25Å; P56-I71 HydrophobicContact CG-CD1 3.99Å; L58-I71 HydrophobicContact CB-CD1 4.05Å; L58-I71 HydrophobicContact CB-CG1 4.05Å; L58-I71 HydrophobicContact CB-CG2 3.66Å; L58-I71 HydrophobicContact CD1-CG2 3.57Å; L58-I71 HydrophobicContact CG-CG2 4.16Å; L65-I71 HydrophobicContact CB-CG1 3.82Å; E67-I71 WeakPolarHBondContact O-CG1 3.35Å; E67-I71 PolarHBondContact O-N 2.93Å; I71-K73 PolarHBondContact O-N 3.28Å; I71-Y74 WeakPolarHBondContact O-CB 3.23Å; I71-Y74 PolarHBondContact O-N 3.09Å; I71-I75 HydrophobicContact CG2-CD1 3.77Å; I71-I75 WeakPolarHBondContact O-CD1 3.43Å; I71-I75 WeakPolarHBondContact O-CG1 3.4Å; I71-I75 PolarHBondContact O-N 3.21Å
72A98.9Very high97.9Very high0 Ų059.2 Ų59.20%030%0.303CS..Hα-helixtrans-59.3-47.7178.700000112.3C21 S68 A70 Y74 I75 L76 F167C21-A72 HydrophobicContact CB-CB 4.27Å; S68-A72 VanDerWaalsContact O-CB 3.23Å; S68-A72 WeakPolarHBondContact O-CB 3.19Å; S68-A72 PolarHBondContact O-N 3.41Å; A70-A72 VanDerWaalsContact C-N 3.33Å; A70-A72 PolarHBondContact O-N 2.88Å; A72-Y74 VanDerWaalsContact C-N 3.3Å; A72-Y74 PolarHBondContact O-N 2.81Å; A72-I75 WeakPolarHBondContact O-CB 3.3Å; A72-I75 PolarHBondContact O-N 3.05Å; A72-L76 VanDerWaalsContact O-CG 3.29Å; A72-L76 WeakPolarHBondContact O-CG 3.4Å; A72-L76 PolarHBondContact O-N 3.39Å; A72-F167 HydrophobicContact CB-CD2 4.44Å; A72-F167 HydrophobicContact CB-CE2 3.41Å; A72-F167 VanDerWaalsContact CB-CE2 3.41Å; A72-F167 HydrophobicContact CB-CZ 3.62Å
73K98.9Very high97.7Very high62 Ų6260.3 Ų60.327%0.2730%0.3SS..Hα-helixtrans-60.1-39.6176.1-73.6-169.9-68.5-168.60112.4R69 A70 I71 L76 R77 L87 F167R69-K73 WeakPolarHBondContact O-CG 3.39Å; R69-K73 PolarHBondContact O-N 2.89Å; A70-K73 PolarHBondContact O-N 3.33Å; I71-K73 PolarHBondContact O-N 3.28Å; K73-L76 PolarHBondContact O-N 3.13Å; K73-R77 WeakPolarHBondContact O-CB 3.28Å; K73-R77 VanDerWaalsContact O-CG 3.27Å; K73-R77 WeakPolarHBondContact O-CG 3.48Å; K73-R77 PolarHBondContact O-N 3.46Å; K73-L87 HydrophobicContact CG-CD2 4.08Å; K73-F167 HydrophobicContact CD-CE1 4.19Å; K73-F167 HydrophobicContact CG-CD1 4.07Å; K73-F167 HydrophobicContact CG-CE1 3.65Å; K73-F167 HydrophobicContact CG-CZ 4.27Å
74Y98.8Very high97.6Very high51 Ų5158.3 Ų58.320%0.229%0.291CS..Hα-helixtrans-59.4-47.4174.3166.3-96.2000112L58 D60 L63 L65 A70 I71 A72 R77 K78L58-Y74 HydrophobicContact CD2-CD1 4.3Å; L58-Y74 HydrophobicContact CD2-CE1 4.07Å; D60-Y74 HydrophobicContact CB-CE1 4.42Å; D60-Y74 PolarHBondContact OD2-OH 2.79Å; L63-Y74 HydrophobicContact CD2-CD2 4.18Å; L63-Y74 HydrophobicContact CD2-CE2 3.5Å; L65-Y74 HydrophobicContact CD1-CD1 3.66Å; L65-Y74 HydrophobicContact CD1-CD2 4Å; L65-Y74 HydrophobicContact CD1-CE1 4.24Å; L65-Y74 HydrophobicContact CD1-CG 3.52Å; A70-Y74 PolarHBondContact O-N 3.31Å; I71-Y74 WeakPolarHBondContact O-CB 3.23Å; I71-Y74 PolarHBondContact O-N 3.09Å; A72-Y74 VanDerWaalsContact C-N 3.3Å; A72-Y74 PolarHBondContact O-N 2.81Å; Y74-R77 PolarHBondContact O-N 3.34Å; Y74-K78 HydrophobicContact CE1-CD 4.03Å; Y74-K78 VanDerWaalsContact O-CB 3.32Å; Y74-K78 WeakPolarHBondContact O-CB 3.22Å; Y74-K78 PolarHBondContact O-N 3.43Å; Y74-K78 WeakPolarHBondContact OH-CD 3.47Å
75I98.6Very high97.6Very high0 Ų057.1 Ų57.10%028%0.282CS..Hα-helixtrans-58.9-49.9176.2-70154.4000110.8V18 C21 L22 V25 L58 I71 A72 R77 K78 Y79V18-I75 HydrophobicContact CG1-CD1 3.63Å; C21-I75 HydrophobicContact CB-CG2 4.35Å; L22-I75 HydrophobicContact CD1-CD1 4.2Å; L22-I75 HydrophobicContact CD2-CB 4.49Å; L22-I75 HydrophobicContact CD2-CD1 3.81Å; L22-I75 HydrophobicContact CD2-CG1 3.84Å; L22-I75 HydrophobicContact CD2-CG2 3.79Å; L22-I75 HydrophobicContact CG-CD1 3.7Å; L22-I75 HydrophobicContact CG-CG1 4.28Å; L22-I75 HydrophobicContact CG-CG2 4.18Å; V25-I75 HydrophobicContact CG2-CG2 3.79Å; L58-I75 HydrophobicContact CD1-CD1 3.92Å; L58-I75 HydrophobicContact CD1-CG1 4.17Å; I71-I75 HydrophobicContact CG2-CD1 3.77Å; I71-I75 WeakPolarHBondContact O-CD1 3.43Å; I71-I75 WeakPolarHBondContact O-CG1 3.4Å; I71-I75 PolarHBondContact O-N 3.21Å; A72-I75 WeakPolarHBondContact O-CB 3.3Å; A72-I75 PolarHBondContact O-N 3.05Å; I75-R77 PolarHBondContact O-N 3.46Å; I75-K78 PolarHBondContact O-N 2.91Å; I75-Y79 HydrophobicContact CG2-CD2 4.06Å; I75-Y79 WeakPolarHBondContact O-CD2 3.34Å; I75-Y79 PolarHBondContact O-N 2.69Å
76L98.7Very high97.6Very high9 Ų955.8 Ų55.85%0.04728%0.275CS..Hα-helixtrans-63.6-29.6-177.3-66.3-179.1000112.8C21 V25 A72 K73 K80 L86 L87 F167C21-L76 HydrophobicContact CB-CD2 4.1Å; C21-L76 HydrophobicContact CB-CG 4.33Å; V25-L76 HydrophobicContact CG1-CD2 3.69Å; A72-L76 VanDerWaalsContact O-CG 3.29Å; A72-L76 WeakPolarHBondContact O-CG 3.4Å; A72-L76 PolarHBondContact O-N 3.39Å; K73-L76 PolarHBondContact O-N 3.13Å; L76-K80 WeakPolarHBondContact O-CB 3.42Å; L76-K80 PolarHBondContact O-N 3.21Å; L76-L86 HydrophobicContact CD1-CB 3.97Å; L76-L86 HydrophobicContact CD2-CB 4.1Å; L76-L86 HydrophobicContact CD2-CD1 3.55Å; L76-L86 HydrophobicContact CD2-CG 4.41Å; L76-L87 HydrophobicContact CB-CD1 3.81Å; L76-L87 HydrophobicContact CB-CG 3.91Å; L76-L87 HydrophobicContact CD1-CD2 3.91Å; L76-L87 HydrophobicContact CD1-CG 4.04Å; L76-F167 HydrophobicContact CD1-CB 3.81Å; L76-F167 HydrophobicContact CD1-CD2 3.64Å; L76-F167 HydrophobicContact CD1-CE2 4.41Å; L76-F167 HydrophobicContact CD1-CG 3.81Å
77R98.5Very high97.6Very high125 Ų12552.7 Ų52.747%0.47226%0.262SS..Hα-helixtrans-76.7-50.3172.2-71.4170.5179.8153.6-0.9112.2K73 Y74 I75 Y79 K80 L87 E89K73-R77 WeakPolarHBondContact O-CB 3.28Å; K73-R77 VanDerWaalsContact O-CG 3.27Å; K73-R77 WeakPolarHBondContact O-CG 3.48Å; K73-R77 PolarHBondContact O-N 3.46Å; Y74-R77 PolarHBondContact O-N 3.34Å; I75-R77 PolarHBondContact O-N 3.46Å; R77-Y79 VanDerWaalsContact C-N 3.32Å; R77-Y79 PolarHBondContact O-N 3.3Å; R77-K80 WeakPolarHBondContact O-CB 3.35Å; R77-K80 PolarHBondContact O-N 3.01Å; R77-L87 HydrophobicContact CG-CD1 3.68Å; R77-E89 WeakPolarHBondContact CG-OE2 3.48Å; R77-E89 IonicContact CZ-OE1 3.58Å; R77-E89 IonicContact NE-OE1 3.26Å; R77-E89 PolarHBondContact NE-OE1 2.72Å; R77-E89 IonicContact NE-OE2 2.85Å; R77-E89 PolarHBondContact NE-OE2 2.85Å; R77-E89 IonicContact NH2-OE1 2.91Å; R77-E89 PolarHBondContact NH2-OE1 2.78Å
78K97.8Very high97.5Very high64 Ų6450.9 Ų50.928%0.27825%0.251SS..Hα-helixtrans-59.6-42.9-176.1174.6174.4174.5-172.40112.1D60 Y74 I75D60-K78 IonicContact OD1-NZ 2.66Å; D60-K78 PolarHBondContact OD1-NZ 2.83Å; D60-K78 IonicContact OD2-NZ 2.87Å; D60-K78 PolarHBondContact OD2-NZ 2.85Å; Y74-K78 HydrophobicContact CE1-CD 4.03Å; Y74-K78 VanDerWaalsContact O-CB 3.32Å; Y74-K78 WeakPolarHBondContact O-CB 3.22Å; Y74-K78 PolarHBondContact O-N 3.43Å; Y74-K78 WeakPolarHBondContact OH-CD 3.47Å; I75-K78 PolarHBondContact O-N 2.91Å
79Y97.3Very high97.5Very high49 Ų4955.3 Ų55.319%0.19227%0.271CS..THydrogen-bonded Turntrans-104.218.6-176.2-59.4-82.4000112.6V4 V25 A27 I75 R77 S81V4-Y79 WeakPolarHBondContact CG1-OH 3.46Å; V25-Y79 HydrophobicContact CG2-CD2 4.13Å; V25-Y79 HydrophobicContact CG2-CG 3.98Å; A27-Y79 HydrophobicContact CB-CD1 3.9Å; A27-Y79 HydrophobicContact CB-CD2 3.89Å; A27-Y79 HydrophobicContact CB-CE1 3.78Å; A27-Y79 HydrophobicContact CB-CE2 3.78Å; A27-Y79 HydrophobicContact CB-CG 3.95Å; I75-Y79 HydrophobicContact CG2-CD2 4.06Å; I75-Y79 WeakPolarHBondContact O-CD2 3.34Å; I75-Y79 PolarHBondContact O-N 2.69Å; R77-Y79 VanDerWaalsContact C-N 3.32Å; R77-Y79 PolarHBondContact O-N 3.3Å; Y79-S81 PolarHBondContact O-N 2.55Å
80K96.8Very high97.4Very high87 Ų8757.7 Ų57.738%0.37830%0.295SS..  trans-53.8134.3176.3-177-179.2176.6164.40110L76 R77 D85L76-K80 WeakPolarHBondContact O-CB 3.42Å; L76-K80 PolarHBondContact O-N 3.21Å; R77-K80 WeakPolarHBondContact O-CB 3.35Å; R77-K80 PolarHBondContact O-N 3.01Å; K80-D85 VanDerWaalsContact CE-CG 3.4Å; K80-D85 WeakPolarHBondContact CE-OD2 3.45Å; K80-D85 IonicContact NZ-OD1 3.54Å; K80-D85 IonicContact NZ-OD2 2.81Å; K80-D85 PolarHBondContact NZ-OD2 2.72Å
81S94.9Very high97.4Very high52 Ų5258.5 Ų58.536%0.36429%0.293SS..BIsolated β-bridgetrans-136.9168.1170.772.30000110.5Y79 K83 V84Y79-S81 PolarHBondContact O-N 2.55Å; S81-K83 PolarHBondContact O-N 3.07Å; S81-K83 PolarHBondContact OG-N 2.96Å; S81-V84 PolarHBondContact N-O 2.96Å; S81-V84 CarbonylContact O-C 3.51Å; S81-V84 PolarHBondContact O-N 2.89Å; S81-V84 VanDerWaalsContact O-O 3.07Å; S81-V84 PolarHBondContact OG-N 3.4Å
82S90.8Very high97.4Very high129 Ų12965.6 Ų65.690%0.90233%0.329SS*.THydrogen-bonded Turntrans-62.5-20.117455.90000113.5
83K92.8Very high97.4Very high192 Ų19275.3 Ų75.384%0.83537%0.366SS*.THydrogen-bonded Turntrans-86.1-26.4177.5-65.1-177.8-179.11780113S81S81-K83 PolarHBondContact O-N 3.07Å; S81-K83 PolarHBondContact OG-N 2.96Å
84V96.5Very high97.4Very high31 Ų3175 Ų7519%0.18837%0.365CS..BIsolated β-bridgetrans-135.294.3-173.6-1740000108.5V25 S81 L86V25-V84 HydrophobicContact CG1-CG1 4.01Å; S81-V84 PolarHBondContact N-O 2.96Å; S81-V84 CarbonylContact O-C 3.51Å; S81-V84 PolarHBondContact O-N 2.89Å; S81-V84 VanDerWaalsContact O-O 3.07Å; S81-V84 PolarHBondContact OG-N 3.4Å; V84-L86 HydrophobicContact CG1-CD1 3.78Å; V84-L86 HydrophobicContact CG1-CG 3.91Å
85D98Very high97.4Very high36 Ų3673.2 Ų73.219%0.19336%0.362CS..  trans-12283.5173.9-168.2-2.9000109.7K80 R88K80-D85 VanDerWaalsContact CE-CG 3.4Å; K80-D85 WeakPolarHBondContact CE-OD2 3.45Å; K80-D85 IonicContact NZ-OD1 3.54Å; K80-D85 IonicContact NZ-OD2 2.81Å; K80-D85 PolarHBondContact NZ-OD2 2.72Å; D85-R88 WeakPolarHBondContact O-CD 3.49Å; D85-R88 PolarHBondContact O-NE 3.17Å; D85-R88 WeakPolarHBondContact OD1-CA 3.23Å; D85-R88 PolarHBondContact OD1-N 2.98Å
86L98.8Very high97.4Very high11 Ų1175.6 Ų75.66%0.05838%0.381CS..SBendtrans-87.6-10.6-174.4-69.7168.8000113.4E24 L76 V84 L165 S166 F167 L170E24-L86 HydrophobicContact CB-CD1 3.8Å; E24-L86 HydrophobicContact CG-CD1 4.17Å; L76-L86 HydrophobicContact CD1-CB 3.97Å; L76-L86 HydrophobicContact CD2-CB 4.1Å; L76-L86 HydrophobicContact CD2-CD1 3.55Å; L76-L86 HydrophobicContact CD2-CG 4.41Å; V84-L86 HydrophobicContact CG1-CD1 3.78Å; V84-L86 HydrophobicContact CG1-CG 3.91Å; L86-L165 HydrophobicContact CD2-CB 4.49Å; L86-L165 HydrophobicContact CD2-CD2 3.99Å; L86-L165 HydrophobicContact CD2-CG 3.97Å; L86-S166 CarbonylContact O-C 3.33Å; L86-S166 WeakPolarHBondContact O-CA 3.2Å; L86-F167 PolarHBondContact O-N 3.37Å; L86-L170 HydrophobicContact CD1-CD1 3.62Å; L86-L170 HydrophobicContact CD2-CD1 4.12Å; L86-L170 HydrophobicContact CG-CD1 4.44Å
87L98.8Very high97.4Very high9 Ų978.6 Ų78.65%0.04740%0.397CS..SBendtrans-105.3-21.7177.6-63.6177.7000113.1K73 L76 R77 E89 F167K73-L87 HydrophobicContact CG-CD2 4.08Å; L76-L87 HydrophobicContact CB-CD1 3.81Å; L76-L87 HydrophobicContact CB-CG 3.91Å; L76-L87 HydrophobicContact CD1-CD2 3.91Å; L76-L87 HydrophobicContact CD1-CG 4.04Å; R77-L87 HydrophobicContact CG-CD1 3.68Å; L87-E89 HydrophobicContact CB-CG 3.76Å; L87-E89 PolarHBondContact O-N 3.31Å; L87-F167 HydrophobicContact CD2-CB 3.74Å; L87-F167 HydrophobicContact CD2-CD1 3.92Å; L87-F167 HydrophobicContact CD2-CG 4.03Å
88R98.4Very high97.4Very high57 Ų5772.6 Ų72.622%0.21537%0.374CS..  trans58.227.7178.1-57.9-58.7-175.5104.4-8.8114.7D85 S90 D91 E94 V98 F164D85-R88 WeakPolarHBondContact O-CD 3.49Å; D85-R88 PolarHBondContact O-NE 3.17Å; D85-R88 WeakPolarHBondContact OD1-CA 3.23Å; D85-R88 PolarHBondContact OD1-N 2.98Å; R88-S90 PolarHBondContact O-N 3.09Å; R88-D91 PolarHBondContact O-N 3.28Å; R88-E94 HydrophobicContact CB-CB 3.68Å; R88-E94 WeakPolarHBondContact CD-OE2 3.17Å; R88-E94 HydrophobicContact CG-CB 4.06Å; R88-E94 IonicContact CZ-OE2 3.02Å; R88-E94 IonicContact NE-OE2 3.46Å; R88-E94 IonicContact NH1-OE1 3.79Å; R88-E94 PolarHBondContact NH1-OE1 2.96Å; R88-E94 IonicContact NH1-OE2 3.77Å; R88-E94 PolarHBondContact NH1-OE2 2.88Å; R88-V98 HydrophobicContact CB-CG2 4.5Å; R88-V98 HydrophobicContact CG-CG2 4.32Å; R88-F164 HydrophobicContact CG-CD2 4.07Å; R88-F164 HydrophobicContact CG-CE2 3.59Å; R88-F164 HydrophobicContact CG-CZ 4.08Å; R88-F164 VanDerWaalsContact CZ-CD2 3.48Å
89E98.1Very high97.5Very high97 Ų9773.6 Ų73.645%0.45338%0.382SS..THydrogen-bonded Turntrans-61.8-12.9-173.3-62.8-176.7133.600115R77 L87R77-E89 WeakPolarHBondContact CG-OE2 3.48Å; R77-E89 IonicContact CZ-OE1 3.58Å; R77-E89 IonicContact NE-OE1 3.26Å; R77-E89 PolarHBondContact NE-OE1 2.72Å; R77-E89 IonicContact NE-OE2 2.85Å; R77-E89 PolarHBondContact NE-OE2 2.85Å; R77-E89 IonicContact NH2-OE1 2.91Å; R77-E89 PolarHBondContact NH2-OE1 2.78Å; L87-E89 HydrophobicContact CB-CG 3.76Å; L87-E89 PolarHBondContact O-N 3.31Å
90S97.4Very high97.5Very high100 Ų10075 Ų7570%0.69940%0.396SS*.THydrogen-bonded Turntrans-81.9-15.9173.348.30000114.2R88R88-S90 PolarHBondContact O-N 3.09Å
91D98.2Very high97.6Very high68 Ų6872.2 Ų72.236%0.36438%0.383SS..SBendtrans-117.3112.5173.2-175.4-48.6000109.1R88 R93 E94 A95R88-D91 PolarHBondContact O-N 3.28Å; D91-R93 PolarHBondContact O-N 2.8Å; D91-R93 WeakPolarHBondContact OD1-CA 3.31Å; D91-R93 WeakPolarHBondContact OD1-CB 3.31Å; D91-R93 PolarHBondContact OD1-N 3.05Å; D91-E94 HydrophobicContact CB-CB 4.06Å; D91-E94 HydrophobicContact CB-CG 4.15Å; D91-E94 PolarHBondContact O-N 3.37Å; D91-E94 PolarHBondContact OD1-N 3.33Å; D91-A95 VanDerWaalsContact O-CB 3.24Å; D91-A95 WeakPolarHBondContact O-CB 3.16Å; D91-A95 PolarHBondContact O-N 3.31Å
92I98.5Very high97.8Very high148 Ų14869.9 Ų69.976%0.75937%0.367SS*.Hα-helixtrans-61.8-30-175.2-165.1168.8000113.2A96I92-A96 VanDerWaalsContact O-CB 3.27Å; I92-A96 WeakPolarHBondContact O-CB 3.16Å; I92-A96 PolarHBondContact O-N 3.19Å; I92-A96 VanDerWaalsContact O-N 3.14Å
93R98.6Very high98.2Very high204 Ų20468.3 Ų68.377%0.7735%0.345SS*.Hα-helixtrans-78.9-45.7-179.3-66.2-175.2176.3-162.8-0.4110.8D91 A96 L97D91-R93 PolarHBondContact O-N 2.8Å; D91-R93 WeakPolarHBondContact OD1-CA 3.31Å; D91-R93 WeakPolarHBondContact OD1-CB 3.31Å; D91-R93 PolarHBondContact OD1-N 3.05Å; R93-A96 PolarHBondContact O-N 3.4Å; R93-L97 WeakPolarHBondContact O-CG 3.05Å; R93-L97 PolarHBondContact O-N 3.07Å; R93-L97 VanDerWaalsContact O-N 3.14Å
94E98.6Very high98.5Very high55 Ų5560.8 Ų60.826%0.25732%0.315SS..Hα-helixtrans-63.9-46.2176.1-67-170.6150.600111R88 D91 A96 L97 V98 F164R88-E94 HydrophobicContact CB-CB 3.68Å; R88-E94 WeakPolarHBondContact CD-OE2 3.17Å; R88-E94 HydrophobicContact CG-CB 4.06Å; R88-E94 IonicContact CZ-OE2 3.02Å; R88-E94 IonicContact NE-OE2 3.46Å; R88-E94 IonicContact NH1-OE1 3.79Å; R88-E94 PolarHBondContact NH1-OE1 2.96Å; R88-E94 IonicContact NH1-OE2 3.77Å; R88-E94 PolarHBondContact NH1-OE2 2.88Å; D91-E94 HydrophobicContact CB-CB 4.06Å; D91-E94 HydrophobicContact CB-CG 4.15Å; D91-E94 PolarHBondContact O-N 3.37Å; D91-E94 PolarHBondContact OD1-N 3.33Å; E94-A96 VanDerWaalsContact C-N 3.31Å; E94-A96 PolarHBondContact O-N 3.24Å; E94-L97 PolarHBondContact O-N 3.31Å; E94-L97 VanDerWaalsContact O-N 3.07Å; E94-V98 WeakPolarHBondContact O-CG2 3.25Å; E94-V98 PolarHBondContact O-N 3.26Å; E94-F164 HydrophobicContact CB-CE1 4.23Å; E94-F164 HydrophobicContact CB-CZ 3.77Å; E94-F164 HydrophobicContact CG-CE1 3.82Å; E94-F164 HydrophobicContact CG-CZ 3.9Å; E94-F164 WeakPolarHBondContact OE1-CE1 3.42Å
95A98.8Very high98.6Very high15 Ų1559.4 Ų59.412%0.12431%0.307CS..Hα-helixtrans-56.1-45.1175.700000111.8D91 L97 V98 D99D91-A95 VanDerWaalsContact O-CB 3.24Å; D91-A95 WeakPolarHBondContact O-CB 3.16Å; D91-A95 PolarHBondContact O-N 3.31Å; A95-L97 VanDerWaalsContact C-N 3.29Å; A95-L97 PolarHBondContact O-N 2.91Å; A95-V98 WeakPolarHBondContact O-CB 3.47Å; A95-V98 PolarHBondContact O-N 3.01Å; A95-V98 VanDerWaalsContact O-N 3.16Å; A95-D99 PolarHBondContact O-N 2.98Å
96A98.9Very high98.6Very high49 Ų4958.2 Ų58.241%0.40530%0.302SS..Hα-helixtrans-60.9-36.917700000112.6I92 R93 E94 D99 V100I92-A96 VanDerWaalsContact O-CB 3.27Å; I92-A96 WeakPolarHBondContact O-CB 3.16Å; I92-A96 PolarHBondContact O-N 3.19Å; I92-A96 VanDerWaalsContact O-N 3.14Å; R93-A96 PolarHBondContact O-N 3.4Å; E94-A96 VanDerWaalsContact C-N 3.31Å; E94-A96 PolarHBondContact O-N 3.24Å; A96-D99 PolarHBondContact O-N 3Å; A96-V100 VanDerWaalsContact O-CG2 3.28Å; A96-V100 WeakPolarHBondContact O-CG2 3.41Å; A96-V100 PolarHBondContact O-N 3.07Å
97L98.8Very high98.6Very high72 Ų7263.4 Ų63.438%0.37733%0.326SS..Hα-helixtrans-70.6-38.3175.4-70.6169.8000112.1R93 E94 A95 D99 V100 W101 A161R93-L97 WeakPolarHBondContact O-CG 3.05Å; R93-L97 PolarHBondContact O-N 3.07Å; R93-L97 VanDerWaalsContact O-N 3.14Å; E94-L97 PolarHBondContact O-N 3.31Å; E94-L97 VanDerWaalsContact O-N 3.07Å; A95-L97 VanDerWaalsContact C-N 3.29Å; A95-L97 PolarHBondContact O-N 2.91Å; L97-D99 VanDerWaalsContact C-N 3.31Å; L97-V100 PolarHBondContact O-N 3.47Å; L97-W101 PolarHBondContact O-N 2.96Å; L97-W101 VanDerWaalsContact O-N 3.12Å; L97-A161 HydrophobicContact CB-CB 4.2Å; L97-A161 WeakPolarHBondContact CB-O 3.48Å; L97-A161 WeakPolarHBondContact CD1-O 3.43Å
98V98.9Very high98.6Very high0 Ų068.4 Ų68.40%035%0.349CS..Hα-helixtrans-60-44.9172.3177.30000110.4R88 E94 A95 T102 A161 F164 F167 A168R88-V98 HydrophobicContact CB-CG2 4.5Å; R88-V98 HydrophobicContact CG-CG2 4.32Å; E94-V98 WeakPolarHBondContact O-CG2 3.25Å; E94-V98 PolarHBondContact O-N 3.26Å; A95-V98 WeakPolarHBondContact O-CB 3.47Å; A95-V98 PolarHBondContact O-N 3.01Å; A95-V98 VanDerWaalsContact O-N 3.16Å; V98-T102 VanDerWaalsContact O-CB 3.3Å; V98-T102 WeakPolarHBondContact O-CB 3.35Å; V98-T102 PolarHBondContact O-N 3.4Å; V98-T102 PolarHBondContact O-OG1 2.87Å; V98-A161 HydrophobicContact CB-CB 4.44Å; V98-A161 HydrophobicContact CG2-CB 3.73Å; V98-F164 HydrophobicContact CG2-CE2 3.88Å; V98-F164 HydrophobicContact CG2-CZ 4.46Å; V98-F167 HydrophobicContact CG1-CB 4.12Å; V98-A168 HydrophobicContact CG1-CB 4.5Å
99D98.9Very high98.7Very high84 Ų8465.8 Ų65.845%0.44934%0.339SS..Hα-helixtrans-63.3-49.5178.2-73.6-20000111.1A95 A96 L97 W101 T102 E103A95-D99 PolarHBondContact O-N 2.98Å; A96-D99 PolarHBondContact O-N 3Å; L97-D99 VanDerWaalsContact C-N 3.31Å; D99-W101 VanDerWaalsContact C-N 3.35Å; D99-W101 PolarHBondContact O-N 2.79Å; D99-T102 WeakPolarHBondContact O-CB 3.38Å; D99-T102 PolarHBondContact O-N 2.77Å; D99-T102 VanDerWaalsContact O-N 3.15Å; D99-E103 WeakPolarHBondContact O-CG 3.43Å; D99-E103 PolarHBondContact O-N 2.8Å
100V98.9Very high98.7Very high80 Ų8064.1 Ų64.149%0.48533%0.329SS..Hα-helixtrans-52.9-51.4178165.20000111.3A96 L97 T102 E103 V104A96-V100 VanDerWaalsContact O-CG2 3.28Å; A96-V100 WeakPolarHBondContact O-CG2 3.41Å; A96-V100 PolarHBondContact O-N 3.07Å; L97-V100 PolarHBondContact O-N 3.47Å; V100-T102 VanDerWaalsContact C-N 3.33Å; V100-T102 PolarHBondContact O-N 3.36Å; V100-E103 PolarHBondContact O-N 2.66Å; V100-V104 HydrophobicContact CG1-CG2 4.36Å; V100-V104 VanDerWaalsContact O-CG2 3.25Å; V100-V104 WeakPolarHBondContact O-CG2 3.25Å; V100-V104 PolarHBondContact O-N 3.25Å
101W98.9Very high98.8Very high27 Ų2762.3 Ų62.310%0.10232%0.315CS..Hα-helixtrans-75.8-22.9-176.3-74.197000113.6L97 D99 V104 E105 Y150 R153 L160 A168L97-W101 PolarHBondContact O-N 2.96Å; L97-W101 VanDerWaalsContact O-N 3.12Å; D99-W101 VanDerWaalsContact C-N 3.35Å; D99-W101 PolarHBondContact O-N 2.79Å; W101-V104 HydrophobicContact CE3-CB 4.2Å; W101-V104 HydrophobicContact CE3-CG1 4.05Å; W101-V104 HydrophobicContact CZ3-CG1 4.11Å; W101-E105 PolarHBondContact O-N 3.35Å; W101-Y150 HydrophobicContact CE3-CE2 4.4Å; W101-Y150 AromaticContact CZ3-CD2 3.95Å; W101-Y150 HydrophobicContact CZ3-CD2 3.95Å; W101-Y150 HydrophobicContact CZ3-CE1 4.33Å; W101-Y150 AromaticContact CZ3-CE2 3.71Å; W101-Y150 HydrophobicContact CZ3-CE2 3.71Å; W101-Y150 HydrophobicContact CZ3-CG 4.37Å; W101-Y150 AromaticContact CZ3-CZ 3.9Å; W101-R153 HydrophobicContact CH2-CB 3.58Å; W101-R153 HydrophobicContact CH2-CG 3.54Å; W101-R153 HydrophobicContact CZ2-CB 3.77Å; W101-R153 HydrophobicContact CZ2-CG 3.3Å; W101-R153 HydrophobicContact CZ3-CG 4.38Å; W101-L160 HydrophobicContact CB-CB 3.81Å; W101-L160 HydrophobicContact CD2-CB 3.8Å; W101-L160 HydrophobicContact CD2-CD2 4.27Å; W101-L160 HydrophobicContact CD2-CG 4.48Å; W101-L160 HydrophobicContact CE3-CB 4.02Å; W101-L160 HydrophobicContact CE3-CD1 4.19Å; W101-L160 HydrophobicContact CE3-CD2 3.72Å; W101-L160 HydrophobicContact CE3-CG 4.19Å; W101-L160 HydrophobicContact CG-CB 3.7Å; W101-L160 HydrophobicContact CZ3-CD2 3.85Å; W101-L160 PolarHBondContact NE1-O 2.74Å; W101-A168 HydrophobicContact CB-CB 3.54Å
102T98.9Very high98.8Very high4 Ų459.3 Ų59.33%0.02530%0.3CS..Hα-helixtrans-66.5-42.7167.5-61.10000111.1V98 D99 V100 E105 A106 F167 A168V98-T102 VanDerWaalsContact O-CB 3.3Å; V98-T102 WeakPolarHBondContact O-CB 3.35Å; V98-T102 PolarHBondContact O-N 3.4Å; V98-T102 PolarHBondContact O-OG1 2.87Å; D99-T102 WeakPolarHBondContact O-CB 3.38Å; D99-T102 PolarHBondContact O-N 2.77Å; D99-T102 VanDerWaalsContact O-N 3.15Å; V100-T102 VanDerWaalsContact C-N 3.33Å; V100-T102 PolarHBondContact O-N 3.36Å; T102-E105 WeakPolarHBondContact O-CB 3.46Å; T102-E105 PolarHBondContact O-N 2.87Å; T102-A106 PolarHBondContact O-N 2.87Å; T102-A106 VanDerWaalsContact O-N 3.07Å; T102-F167 HydrophobicContact CG2-CD1 4.11Å; T102-F167 HydrophobicContact CG2-CE1 3.9Å; T102-A168 WeakPolarHBondContact OG1-CA 3.36Å
103E98.9Very high98.8Very high95 Ų9552.3 Ų52.344%0.44426%0.264SS..Hα-helixtrans-70.4-36.3176.4-64.3-56.6117.200111.7D99 V100 E105 A106 H107D99-E103 WeakPolarHBondContact O-CG 3.43Å; D99-E103 PolarHBondContact O-N 2.8Å; V100-E103 PolarHBondContact O-N 2.66Å; E103-E105 VanDerWaalsContact C-N 3.32Å; E103-E105 PolarHBondContact O-N 3.49Å; E103-A106 PolarHBondContact O-N 2.67Å; E103-H107 WeakPolarHBondContact O-CB 3.34Å; E103-H107 PolarHBondContact O-CD2 3.13Å; E103-H107 PolarHBondContact O-N 3.36Å; E103-H107 IonicContact OE2-CD2 2.66Å; E103-H107 PolarHBondContact OE2-CD2 2.87Å; E103-H107 IonicContact OE2-NE2 2.83Å; E103-H107 PolarHBondContact OE2-NE2 3.01Å
104V98.9Very high98.8Very high35 Ų3543 Ų4321%0.21223%0.23CC..Hα-helixtrans-62.1-40.9171.5175.20000110.6V100 W101 Q108 Y109 Y150V100-V104 HydrophobicContact CG1-CG2 4.36Å; V100-V104 VanDerWaalsContact O-CG2 3.25Å; V100-V104 WeakPolarHBondContact O-CG2 3.25Å; V100-V104 PolarHBondContact O-N 3.25Å; W101-V104 HydrophobicContact CE3-CB 4.2Å; W101-V104 HydrophobicContact CE3-CG1 4.05Å; W101-V104 HydrophobicContact CZ3-CG1 4.11Å; V104-Q108 HydrophobicContact CG1-CB 3.97Å; V104-Q108 HydrophobicContact CG1-CG 4.15Å; V104-Q108 WeakPolarHBondContact O-CA 3.42Å; V104-Q108 WeakPolarHBondContact O-CB 3.47Å; V104-Q108 PolarHBondContact O-N 2.87Å; V104-Y109 PolarHBondContact O-N 2.91Å; V104-Y150 HydrophobicContact CG1-CE2 3.72Å; V104-Y150 WeakPolarHBondContact CG1-OH 3.44Å
105E98.9Very high98.8Very high1 Ų142 Ų421%0.00523%0.228CC..Iπ-helixtrans-57.7-50.8173.2-172.5-94.115300110.8R17 R69 W101 T102 E103 H107 Y110 N171 H172R17-E105 IonicContact CZ-OE1 3.96Å; R17-E105 IonicContact CZ-OE2 3.44Å; R17-E105 VanDerWaalsContact NH1-CD 3.33Å; R17-E105 IonicContact NH1-OE1 2.67Å; R17-E105 PolarHBondContact NH1-OE1 3.41Å; R17-E105 IonicContact NH1-OE2 3.38Å; R17-E105 PolarHBondContact NH1-OE2 3.04Å; R17-E105 IonicContact NH2-OE1 3.7Å; R17-E105 PolarHBondContact NH2-OE1 3.01Å; R17-E105 IonicContact NH2-OE2 3.62Å; R69-E105 IonicContact CZ-OE2 3.03Å; R69-E105 IonicContact NE-OE2 2.8Å; R69-E105 PolarHBondContact NE-OE2 3.01Å; R69-E105 IonicContact NH2-OE1 3.52Å; R69-E105 PolarHBondContact NH2-OE1 3.33Å; R69-E105 IonicContact NH2-OE2 2.69Å; R69-E105 PolarHBondContact NH2-OE2 3.32Å; W101-E105 PolarHBondContact O-N 3.35Å; T102-E105 WeakPolarHBondContact O-CB 3.46Å; T102-E105 PolarHBondContact O-N 2.87Å; E103-E105 VanDerWaalsContact C-N 3.32Å; E103-E105 PolarHBondContact O-N 3.49Å; E105-H107 PolarHBondContact O-N 3.35Å; E105-Y110 WeakPolarHBondContact O-CB 3.32Å; E105-Y110 PolarHBondContact O-N 2.93Å; E105-N171 HydrophobicContact CB-CB 4.49Å; E105-N171 HydrophobicContact CG-CB 4.04Å; E105-H172 VanDerWaalsContact CB-CE1 3.42Å; E105-H172 WeakPolarHBondContact CB-CE1 3.11Å
106A98.7Very high98.8Very high12 Ų1241.2 Ų41.210%0.09922%0.222CC..Iπ-helixtrans-67.2-36.4-175.600000113.9T102 E103 P111T102-A106 PolarHBondContact O-N 2.87Å; T102-A106 VanDerWaalsContact O-N 3.07Å; E103-A106 PolarHBondContact O-N 2.67Å; A106-P111 WeakPolarHBondContact O-CD 3.33Å
107H98.8Very high98.7Very high119 Ų11938.9 Ų38.955%0.55120%0.203SC*.Iπ-helixtrans-116.1-14.1-165.6-63.8-62.8000115.2E103 E105E103-H107 WeakPolarHBondContact O-CB 3.34Å; E103-H107 PolarHBondContact O-CD2 3.13Å; E103-H107 PolarHBondContact O-N 3.36Å; E103-H107 IonicContact OE2-CD2 2.66Å; E103-H107 PolarHBondContact OE2-CD2 2.87Å; E103-H107 IonicContact OE2-NE2 2.83Å; E103-H107 PolarHBondContact OE2-NE2 3.01Å; E105-H107 PolarHBondContact O-N 3.35Å
108Q98.8Very high98.7Very high115 Ų11538.3 Ų38.354%0.53720%0.197SC..Iπ-helixtrans-118.3-53.8178.4-52.1-58.6-39.800111.2V104V104-Q108 HydrophobicContact CG1-CB 3.97Å; V104-Q108 HydrophobicContact CG1-CG 4.15Å; V104-Q108 WeakPolarHBondContact O-CA 3.42Å; V104-Q108 WeakPolarHBondContact O-CB 3.47Å; V104-Q108 PolarHBondContact O-N 2.87Å
109Y98.9Very high98.6Very high1 Ų139.4 Ų39.40%0.00420%0.202CC..Iπ-helixtrans-76.3-53.5-174.5-177.7-87.4000112.8V104 A112 L113 L143 V146 L147 Y150 H172 T176 F188V104-Y109 PolarHBondContact O-N 2.91Å; Y109-A112 PolarHBondContact O-N 3.37Å; Y109-A112 VanDerWaalsContact O-N 3.13Å; Y109-L113 HydrophobicContact CD1-CB 4.5Å; Y109-L113 HydrophobicContact CE1-CB 4.25Å; Y109-L113 HydrophobicContact CE1-CD1 3.65Å; Y109-L113 HydrophobicContact CE1-CG 4.41Å; Y109-L113 HydrophobicContact CE2-CD1 4.46Å; Y109-L113 WeakPolarHBondContact O-CB 3.43Å; Y109-L113 PolarHBondContact O-N 2.96Å; Y109-L113 VanDerWaalsContact OH-CD1 3.29Å; Y109-L113 WeakPolarHBondContact OH-CD1 3.44Å; Y109-L143 HydrophobicContact CD2-CD1 4.42Å; Y109-L143 HydrophobicContact CE2-CD1 4.27Å; Y109-V146 HydrophobicContact CD2-CG1 3.95Å; Y109-L147 HydrophobicContact CE2-CD2 4.05Å; Y109-Y150 WeakPolarHBondContact CB-OH 3.19Å; Y109-Y150 HydrophobicContact CD2-CD1 4.41Å; Y109-Y150 AromaticContact CD2-CE1 3.83Å; Y109-Y150 HydrophobicContact CD2-CE1 3.83Å; Y109-Y150 HydrophobicContact CD2-CE2 4.24Å; Y109-Y150 AromaticContact CD2-CZ 3.74Å; Y109-Y150 HydrophobicContact CE2-CE1 4.25Å; Y109-Y150 HydrophobicContact CG-CE1 4.5Å; Y109-H172 AromaticContact CD1-CD2 3.57Å; Y109-H172 HydrophobicContact CE1-CB 4.47Å; Y109-H172 AromaticContact CE1-CD2 3.71Å; Y109-H172 AromaticContact CG-CD2 3.75Å; Y109-H172 AromaticContact CZ-CD2 4Å; Y109-T176 WeakPolarHBondContact CE1-OG1 3.39Å; Y109-T176 WeakPolarHBondContact OH-CG2 3.29Å; Y109-T176 PolarHBondContact OH-OG1 3.39Å; Y109-F188 WeakPolarHBondContact OH-CZ 3.39Å
110Y98.7Very high98.5Very high62 Ų6236.7 Ų36.724%0.24319%0.19CC..Hα-helixtrans-58.4-45.5-179.1168.6-101.2000112.5E105 A112 L113 S114 F175E105-Y110 WeakPolarHBondContact O-CB 3.32Å; E105-Y110 PolarHBondContact O-N 2.93Å; Y110-A112 PolarHBondContact O-N 3.22Å; Y110-L113 PolarHBondContact O-N 2.93Å; Y110-S114 WeakPolarHBondContact O-CB 3.38Å; Y110-S114 PolarHBondContact O-N 3.41Å; Y110-S114 PolarHBondContact O-OG 2.9Å; Y110-F175 HydrophobicContact CD2-CD1 4.45Å; Y110-F175 AromaticContact CD2-CD2 3.82Å; Y110-F175 HydrophobicContact CD2-CD2 3.82Å; Y110-F175 HydrophobicContact CD2-CE2 4.04Å; Y110-F175 HydrophobicContact CD2-CG 4.04Å; Y110-F175 HydrophobicContact CD2-CZ 4.47Å; Y110-F175 HydrophobicContact CE2-CD1 4.04Å; Y110-F175 AromaticContact CE2-CD2 3.58Å; Y110-F175 HydrophobicContact CE2-CD2 3.58Å; Y110-F175 AromaticContact CE2-CE1 3.82Å; Y110-F175 HydrophobicContact CE2-CE1 3.82Å; Y110-F175 AromaticContact CE2-CE2 3.32Å; Y110-F175 HydrophobicContact CE2-CE2 3.32Å; Y110-F175 AromaticContact CE2-CG 3.94Å; Y110-F175 HydrophobicContact CE2-CG 3.94Å; Y110-F175 AromaticContact CE2-CZ 3.47Å; Y110-F175 HydrophobicContact CE2-CZ 3.47Å; Y110-F175 VanDerWaalsContact CE2-CZ 3.47Å
111P98.7Very high98.3Very high63 Ų6333.5 Ų33.541%0.40917%0.17SC..Hα-helixtrans-65.2-25.4177.6-24.737.6000114.1A106 P115A106-P111 WeakPolarHBondContact O-CD 3.33Å; P111-P115 VanDerWaalsContact O-CD 3.29Å; P111-P115 WeakPolarHBondContact O-CD 3.43Å; P111-P115 WeakPolarHBondContact O-CG 3.48Å
112A98.8Very high98Very high5 Ų533.5 Ų33.54%0.04117%0.172CC..Hα-helixtrans-82.4-39.517600000112.6Y109 Y110 S139 K142 L143 V146Y109-A112 PolarHBondContact O-N 3.37Å; Y109-A112 VanDerWaalsContact O-N 3.13Å; Y110-A112 PolarHBondContact O-N 3.22Å; A112-S139 WeakPolarHBondContact O-CB 3.25Å; A112-K142 HydrophobicContact CB-CB 4.07Å; A112-L143 HydrophobicContact CB-CB 4.25Å; A112-L143 HydrophobicContact CB-CD1 4.36Å; A112-V146 HydrophobicContact CB-CG2 4.2Å
113L98.7Very high97.8Very high0 Ų035.2 Ų35.20%018%0.179CC..Hα-helixtrans-87-40.1-175.3-179.7148.3000113.3Y109 Y110 P115 I116 V117 L143 F175 F179Y109-L113 HydrophobicContact CD1-CB 4.5Å; Y109-L113 HydrophobicContact CE1-CB 4.25Å; Y109-L113 HydrophobicContact CE1-CD1 3.65Å; Y109-L113 HydrophobicContact CE1-CG 4.41Å; Y109-L113 HydrophobicContact CE2-CD1 4.46Å; Y109-L113 WeakPolarHBondContact O-CB 3.43Å; Y109-L113 PolarHBondContact O-N 2.96Å; Y109-L113 VanDerWaalsContact OH-CD1 3.29Å; Y109-L113 WeakPolarHBondContact OH-CD1 3.44Å; Y110-L113 PolarHBondContact O-N 2.93Å; L113-P115 VanDerWaalsContact C-CD 3.43Å; L113-I116 WeakPolarHBondContact O-CB 3.44Å; L113-I116 PolarHBondContact O-N 3.05Å; L113-I116 VanDerWaalsContact O-N 3.14Å; L113-V117 HydrophobicContact CD2-CG2 3.8Å; L113-V117 PolarHBondContact O-N 2.68Å; L113-L143 HydrophobicContact CB-CD1 4.04Å; L113-L143 HydrophobicContact CB-CD2 4.16Å; L113-L143 HydrophobicContact CD1-CD1 4.49Å; L113-L143 HydrophobicContact CD1-CD2 4.18Å; L113-L143 HydrophobicContact CG-CD2 4.27Å; L113-F175 HydrophobicContact CD2-CB 3.81Å; L113-F179 HydrophobicContact CD1-CB 3.82Å; L113-F179 HydrophobicContact CD1-CD1 4.28Å; L113-F179 HydrophobicContact CD1-CD2 4.01Å; L113-F179 HydrophobicContact CD1-CG 3.76Å; L113-F179 HydrophobicContact CD2-CB 3.93Å; L113-F179 HydrophobicContact CG-CB 4.01Å; L113-F179 HydrophobicContact CG-CD2 3.91Å; L113-F179 HydrophobicContact CG-CG 4.07Å
114S98.4Very high97.5Very high9 Ų932.8 Ų32.86%0.06317%0.171CC..Hα-helixtrans-60.8-36.4-171.562.60000114.8Y110 I116 V117 F118Y110-S114 WeakPolarHBondContact O-CB 3.38Å; Y110-S114 PolarHBondContact O-N 3.41Å; Y110-S114 PolarHBondContact O-OG 2.9Å; S114-I116 PolarHBondContact O-N 3.47Å; S114-V117 PolarHBondContact O-N 3.28Å; S114-V117 VanDerWaalsContact O-N 3.1Å; S114-F118 WeakPolarHBondContact O-CD2 3.49Å; S114-F118 PolarHBondContact O-N 3.44Å
115P98.7Very high97Very high33 Ų3334.6 Ų34.621%0.21418%0.179CC..Hα-helixtrans-60.4-33.9177.2-22.634.3000112.7P111 L113 F118 E119 V135 S139P111-P115 VanDerWaalsContact O-CD 3.29Å; P111-P115 WeakPolarHBondContact O-CD 3.43Å; P111-P115 WeakPolarHBondContact O-CG 3.48Å; L113-P115 VanDerWaalsContact C-CD 3.43Å; P115-F118 PolarHBondContact O-N 3.02Å; P115-E119 WeakPolarHBondContact O-CB 3.37Å; P115-E119 VanDerWaalsContact O-CG 3.28Å; P115-E119 WeakPolarHBondContact O-CG 3.3Å; P115-E119 PolarHBondContact O-N 3.35Å; P115-V135 HydrophobicContact CB-CG1 3.95Å; P115-S139 WeakPolarHBondContact CB-OG 3.22Å
116I98.6Very high96.5Very high0 Ų038.7 Ų38.70%020%0.199CC..Hα-helixtrans-63-47.2175.8-54.7170.3000109.8L113 S114 F118 E119 C120 V136 L140 L143 F179 C184L113-I116 WeakPolarHBondContact O-CB 3.44Å; L113-I116 PolarHBondContact O-N 3.05Å; L113-I116 VanDerWaalsContact O-N 3.14Å; S114-I116 PolarHBondContact O-N 3.47Å; I116-F118 VanDerWaalsContact C-N 3.33Å; I116-F118 PolarHBondContact O-N 3.28Å; I116-E119 PolarHBondContact O-N 3.15Å; I116-C120 VanDerWaalsContact O-CB 3.23Å; I116-C120 WeakPolarHBondContact O-CB 3.26Å; I116-C120 PolarHBondContact O-N 2.95Å; I116-C120 PolarHBondContact O-SG 3.15Å; I116-C120 VanDerWaalsContact O-SG 3.4Å; I116-V136 HydrophobicContact CG2-CG1 4.29Å; I116-L140 HydrophobicContact CD1-CD2 3.72Å; I116-L140 HydrophobicContact CD1-CG 3.9Å; I116-L143 HydrophobicContact CD1-CD2 3.9Å; I116-F179 HydrophobicContact CB-CD2 4.38Å; I116-F179 HydrophobicContact CD1-CD2 4.36Å; I116-F179 HydrophobicContact CD1-CE2 3.83Å; I116-F179 HydrophobicContact CG2-CD2 4.1Å; I116-F179 HydrophobicContact CG2-CE2 4.07Å; I116-C184 HydrophobicContact CG2-CB 4.29Å
117V97.8Very high95.9Very high0 Ų046.3 Ų46.30%023%0.225CC..Hα-helixtrans-63.1-40.8176.6176.60000111.2L113 S114 I121 I122 F175 Y178 F179L113-V117 HydrophobicContact CD2-CG2 3.8Å; L113-V117 PolarHBondContact O-N 2.68Å; S114-V117 PolarHBondContact O-N 3.28Å; S114-V117 VanDerWaalsContact O-N 3.1Å; V117-I121 WeakPolarHBondContact O-CB 3.07Å; V117-I121 PolarHBondContact O-N 3.24Å; V117-I122 HydrophobicContact CG1-CD1 4.09Å; V117-I122 HydrophobicContact CG1-CG1 4.34Å; V117-I122 PolarHBondContact O-N 3.26Å; V117-I122 VanDerWaalsContact O-N 3.16Å; V117-F175 HydrophobicContact CB-CD1 4.23Å; V117-F175 HydrophobicContact CG1-CD1 4.2Å; V117-F175 HydrophobicContact CG1-CE1 4.36Å; V117-F175 HydrophobicContact CG2-CD1 4.34Å; V117-Y178 HydrophobicContact CG1-CG 4.49Å; V117-F179 HydrophobicContact CG2-CB 3.87Å
118F97.1Very high95.6Very high60 Ų6043.8 Ų43.826%0.26323%0.231SC..Iπ-helixtrans-62.4-48.5177.8-86.1-75.7000111.7S114 P115 I116 I122 F123 F175S114-F118 WeakPolarHBondContact O-CD2 3.49Å; S114-F118 PolarHBondContact O-N 3.44Å; P115-F118 PolarHBondContact O-N 3.02Å; I116-F118 VanDerWaalsContact C-N 3.33Å; I116-F118 PolarHBondContact O-N 3.28Å; F118-I122 HydrophobicContact CD1-CB 3.82Å; F118-I122 HydrophobicContact CD1-CD1 3.59Å; F118-I122 HydrophobicContact CD1-CG1 4.26Å; F118-I122 HydrophobicContact CD1-CG2 3.78Å; F118-I122 HydrophobicContact CD2-CD1 4.46Å; F118-I122 HydrophobicContact CE1-CB 4.36Å; F118-I122 HydrophobicContact CE1-CD1 3.57Å; F118-I122 HydrophobicContact CE1-CG2 3.96Å; F118-I122 HydrophobicContact CE2-CD1 4.43Å; F118-I122 HydrophobicContact CG-CD1 4.05Å; F118-I122 HydrophobicContact CZ-CD1 4Å; F118-I122 PolarHBondContact O-N 3.02Å; F118-F123 HydrophobicContact CB-CD2 4.4Å; F118-F123 HydrophobicContact CB-CE1 4.33Å; F118-F123 HydrophobicContact CB-CE2 4.02Å; F118-F123 HydrophobicContact CB-CZ 3.98Å; F118-F123 HydrophobicContact CD1-CD1 4.29Å; F118-F123 AromaticContact CD1-CE1 3.71Å; F118-F123 HydrophobicContact CD1-CE1 3.71Å; F118-F123 HydrophobicContact CD1-CZ 4.02Å; F118-F123 HydrophobicContact CG-CE1 4.4Å; F118-F123 HydrophobicContact CG-CZ 4.29Å; F118-F123 WeakPolarHBondContact O-CB 3.48Å; F118-F123 WeakPolarHBondContact O-CG 3.08Å; F118-F123 PolarHBondContact O-N 3.26Å; F118-F175 HydrophobicContact CE2-CE1 4.11Å; F118-F175 HydrophobicContact CE2-CZ 4.29Å
119E97.6Very high95.3Very high22 Ų2241.2 Ų41.210%0.10322%0.223CC..Iπ-helixtrans-72.6-38.6-177-70.2-66.8167.200113.4P115 I116 F123 P124 T131 N132 V135 V136P115-E119 WeakPolarHBondContact O-CB 3.37Å; P115-E119 VanDerWaalsContact O-CG 3.28Å; P115-E119 WeakPolarHBondContact O-CG 3.3Å; P115-E119 PolarHBondContact O-N 3.35Å; I116-E119 PolarHBondContact O-N 3.15Å; E119-F123 HydrophobicContact CG-CD2 4.49Å; E119-P124 VanDerWaalsContact O-CD 3.26Å; E119-P124 WeakPolarHBondContact O-CD 3.48Å; E119-P124 WeakPolarHBondContact O-CG 3.34Å; E119-T131 HydrophobicContact CB-CG2 4.03Å; E119-T131 WeakPolarHBondContact O-CA 3.37Å; E119-T131 WeakPolarHBondContact O-CB 3.46Å; E119-T131 PolarHBondContact O-OG1 3.42Å; E119-N132 HydrophobicContact CG-CB 4.5Å; E119-N132 VanDerWaalsContact OE2-CB 3.27Å; E119-N132 WeakPolarHBondContact OE2-CB 3.31Å; E119-N132 PolarHBondContact OE2-N 3.49Å; E119-V135 HydrophobicContact CG-CB 4.02Å; E119-V135 HydrophobicContact CG-CG1 3.71Å; E119-V136 HydrophobicContact CB-CG2 3.68Å; E119-V136 HydrophobicContact CG-CG2 4.36Å
120C96.6Very high95.1Very high28 Ų2846.7 Ų46.719%0.18926%0.259CS..Iπ-helixtrans-85.5-24.5-176.1-66.30000113.8I116 T182I116-C120 VanDerWaalsContact O-CB 3.23Å; I116-C120 WeakPolarHBondContact O-CB 3.26Å; I116-C120 PolarHBondContact O-N 2.95Å; I116-C120 PolarHBondContact O-SG 3.15Å; I116-C120 VanDerWaalsContact O-SG 3.4Å; C120-T182 HydrophobicContact CB-CG2 3.72Å
121I95Very high95Very high13 Ų1345.6 Ų45.67%0.06726%0.259CS..Iπ-helixtrans-126.5-66-172.6-65176.3000109.9V117 F123 P124 I125 Y178 A181 T182 F218V117-I121 WeakPolarHBondContact O-CB 3.07Å; V117-I121 PolarHBondContact O-N 3.24Å; I121-F123 PolarHBondContact O-N 2.98Å; I121-P124 WeakPolarHBondContact O-CD 3.24Å; I121-I125 HydrophobicContact CB-CD1 4.42Å; I121-I125 HydrophobicContact CG2-CD1 3.44Å; I121-I125 VanDerWaalsContact CG2-CD1 3.44Å; I121-I125 WeakPolarHBondContact O-CD1 3.46Å; I121-I125 WeakPolarHBondContact O-CG1 3.48Å; I121-I125 PolarHBondContact O-N 2.91Å; I121-I125 VanDerWaalsContact O-N 3.14Å; I121-Y178 WeakPolarHBondContact CD1-O 3.33Å; I121-A181 HydrophobicContact CD1-CB 3.99Å; I121-T182 HydrophobicContact CD1-CG2 3.72Å; I121-T182 HydrophobicContact CG1-CG2 4.07Å; I121-F218 HydrophobicContact CG2-CD2 4.12Å; I121-F218 HydrophobicContact CG2-CE2 3.63Å; I121-F218 HydrophobicContact CG2-CZ 4.43Å
122I92.9Very high95Very high27 Ų2746.1 Ų46.114%0.13826%0.258CS..Iπ-helixtrans-65.2-47.9-164.4-61.2174.2000112.2V117 F118 I125 M126V117-I122 HydrophobicContact CG1-CD1 4.09Å; V117-I122 HydrophobicContact CG1-CG1 4.34Å; V117-I122 PolarHBondContact O-N 3.26Å; V117-I122 VanDerWaalsContact O-N 3.16Å; F118-I122 HydrophobicContact CD1-CB 3.82Å; F118-I122 HydrophobicContact CD1-CD1 3.59Å; F118-I122 HydrophobicContact CD1-CG1 4.26Å; F118-I122 HydrophobicContact CD1-CG2 3.78Å; F118-I122 HydrophobicContact CD2-CD1 4.46Å; F118-I122 HydrophobicContact CE1-CB 4.36Å; F118-I122 HydrophobicContact CE1-CD1 3.57Å; F118-I122 HydrophobicContact CE1-CG2 3.96Å; F118-I122 HydrophobicContact CE2-CD1 4.43Å; F118-I122 HydrophobicContact CG-CD1 4.05Å; F118-I122 HydrophobicContact CZ-CD1 4Å; F118-I122 PolarHBondContact O-N 3.02Å; I122-I125 PolarHBondContact O-N 2.83Å; I122-M126 HydrophobicContact CG2-CE 3.84Å; I122-M126 HydrophobicContact CG2-CG 4.13Å; I122-M126 HydrophobicContact CG2-SD 3.62Å; I122-M126 VanDerWaalsContact O-CB 3.28Å; I122-M126 WeakPolarHBondContact O-CB 3.5Å; I122-M126 WeakPolarHBondContact O-CG 3.36Å; I122-M126 PolarHBondContact O-N 3.25Å
123F94.3Very high94.9Very high40 Ų4052 Ų5218%0.17529%0.285CS..Hα-helixtrans-67.6-44.2-178.4-65-23.1000113.1F118 E119 I121 I125 R127 G128 V129F118-F123 HydrophobicContact CB-CD2 4.4Å; F118-F123 HydrophobicContact CB-CE1 4.33Å; F118-F123 HydrophobicContact CB-CE2 4.02Å; F118-F123 HydrophobicContact CB-CZ 3.98Å; F118-F123 HydrophobicContact CD1-CD1 4.29Å; F118-F123 AromaticContact CD1-CE1 3.71Å; F118-F123 HydrophobicContact CD1-CE1 3.71Å; F118-F123 HydrophobicContact CD1-CZ 4.02Å; F118-F123 HydrophobicContact CG-CE1 4.4Å; F118-F123 HydrophobicContact CG-CZ 4.29Å; F118-F123 WeakPolarHBondContact O-CB 3.48Å; F118-F123 WeakPolarHBondContact O-CG 3.08Å; F118-F123 PolarHBondContact O-N 3.26Å; E119-F123 HydrophobicContact CG-CD2 4.49Å; I121-F123 PolarHBondContact O-N 2.98Å; F123-I125 VanDerWaalsContact C-N 3.31Å; F123-I125 PolarHBondContact O-N 2.66Å; F123-R127 WeakPolarHBondContact O-CA 3.43Å; F123-R127 WeakPolarHBondContact O-CB 3.04Å; F123-R127 PolarHBondContact O-N 2.82Å; F123-G128 PolarHBondContact O-N 3.49Å; F123-V129 HydrophobicContact CB-CG2 3.64Å
124P93.8Very high94.9Very high43 Ų4357.3 Ų57.328%0.27931%0.31SS..Hα-helixtrans-53.6-45.5170.6-30.235.4000113.4E119 I121 G128 V129E119-P124 VanDerWaalsContact O-CD 3.26Å; E119-P124 WeakPolarHBondContact O-CD 3.48Å; E119-P124 WeakPolarHBondContact O-CG 3.34Å; I121-P124 WeakPolarHBondContact O-CD 3.24Å; P124-G128 WeakPolarHBondContact O-CA 3.42Å; P124-G128 PolarHBondContact O-N 2.9Å; P124-V129 WeakPolarHBondContact CA-O 3.42Å
125I88.4Confident94.9Very high74 Ų7458.8 Ų58.838%0.37932%0.318SS..Hα-helixtrans-73.8-48.2-176.1-62.3157.6000111.9I121 I122 F123 F218I121-I125 HydrophobicContact CB-CD1 4.42Å; I121-I125 HydrophobicContact CG2-CD1 3.44Å; I121-I125 VanDerWaalsContact CG2-CD1 3.44Å; I121-I125 WeakPolarHBondContact O-CD1 3.46Å; I121-I125 WeakPolarHBondContact O-CG1 3.48Å; I121-I125 PolarHBondContact O-N 2.91Å; I121-I125 VanDerWaalsContact O-N 3.14Å; I122-I125 PolarHBondContact O-N 2.83Å; F123-I125 VanDerWaalsContact C-N 3.31Å; F123-I125 PolarHBondContact O-N 2.66Å; I125-F218 HydrophobicContact CD1-CB 3.49Å; I125-F218 VanDerWaalsContact CD1-CB 3.49Å; I125-F218 HydrophobicContact CD1-CD1 3.7Å; I125-F218 HydrophobicContact CD1-CD2 3.06Å; I125-F218 HydrophobicContact CD1-CE1 4.08Å; I125-F218 HydrophobicContact CD1-CE2 3.46Å; I125-F218 VanDerWaalsContact CD1-CE2 3.46Å; I125-F218 HydrophobicContact CD1-CG 3.13Å; I125-F218 HydrophobicContact CD1-CZ 3.94Å; I125-F218 HydrophobicContact CG1-CB 3.51Å; I125-F218 HydrophobicContact CG1-CD1 4.36Å; I125-F218 HydrophobicContact CG1-CD2 4.08Å; I125-F218 HydrophobicContact CG1-CG 3.77Å; I125-F218 HydrophobicContact CG2-CB 4.35Å; I125-F218 HydrophobicContact CG2-CD1 4.25Å; I125-F218 HydrophobicContact CG2-CG 4.45Å
126M86.3Confident94.9Very high87 Ų8757.4 Ų57.443%0.42931%0.31SS..Hα-helixtrans-83.8-24.9-171.8-64.3-168.7-174.500113F36 L37 I122F36-M126 HydrophobicContact CD2-CE 4.41Å; F36-M126 HydrophobicContact CE2-CE 3.23Å; F36-M126 HydrophobicContact CE2-SD 3.82Å; F36-M126 HydrophobicContact CZ-CE 3.51Å; L37-M126 HydrophobicContact CD2-CG 4.13Å; L37-M126 HydrophobicContact CD2-SD 4.42Å; I122-M126 HydrophobicContact CG2-CE 3.84Å; I122-M126 HydrophobicContact CG2-CG 4.13Å; I122-M126 HydrophobicContact CG2-SD 3.62Å; I122-M126 VanDerWaalsContact O-CB 3.28Å; I122-M126 WeakPolarHBondContact O-CB 3.5Å; I122-M126 WeakPolarHBondContact O-CG 3.36Å; I122-M126 PolarHBondContact O-N 3.25Å
127R87.5Confident94.9Very high171 Ų17162.4 Ų62.465%0.64533%0.333SS*.Hα-helixtrans-126.2-8.6-172.5-56.1-179.4179.3177.1-1.3113.9F123 V129F123-R127 WeakPolarHBondContact O-CA 3.43Å; F123-R127 WeakPolarHBondContact O-CB 3.04Å; F123-R127 PolarHBondContact O-N 2.82Å; R127-V129 HydrophobicContact CB-CG1 4.02Å; R127-V129 HydrophobicContact CB-CG2 4.1Å; R127-V129 PolarHBondContact O-N 3.48Å
128G91.9Very high94.9Very high66 Ų6666.5 Ų66.568%0.6835%0.352SS*.  trans64.122.8-177.100000113.7F123 P124F123-G128 PolarHBondContact O-N 3.49Å; P124-G128 WeakPolarHBondContact O-CA 3.42Å; P124-G128 PolarHBondContact O-N 2.9Å
129V93.5Very high95Very high61 Ų6164 Ų6437%0.3734%0.341SS..PPolyproline II helixtrans-97.6144.7-178-600000110.9F123 P124 R127F123-V129 HydrophobicContact CB-CG2 3.64Å; P124-V129 WeakPolarHBondContact CA-O 3.42Å; R127-V129 HydrophobicContact CB-CG1 4.02Å; R127-V129 HydrophobicContact CB-CG2 4.1Å; R127-V129 PolarHBondContact O-N 3.48Å
130P94.8Very high95.1Very high117 Ų11764.4 Ų64.476%0.7634%0.344SS*.PPolyproline II helixtrans-67.3150.1176.429-35000111.3N132P130-N132 PolarHBondContact O-N 3.43Å
131T96.7Very high95.2Very high38 Ų3866.6 Ų66.623%0.23335%0.352CS..PPolyproline II helixtrans-58.3126.9174.2-61.60000111.5E119 Q133 V136E119-T131 HydrophobicContact CB-CG2 4.03Å; E119-T131 WeakPolarHBondContact O-CA 3.37Å; E119-T131 WeakPolarHBondContact O-CB 3.46Å; E119-T131 PolarHBondContact O-OG1 3.42Å; T131-Q133 PolarHBondContact O-N 2.83Å; T131-Q133 VanDerWaalsContact O-N 3.15Å; T131-V136 HydrophobicContact CG2-CG2 3.68Å
132N97.7Very high95.4Very high74 Ų7471.7 Ų71.740%0.39637%0.373SS..  trans-76.798.4169.5-172.2-21.2000110.7E119 P130 Q134 V135 V136E119-N132 HydrophobicContact CG-CB 4.5Å; E119-N132 VanDerWaalsContact OE2-CB 3.27Å; E119-N132 WeakPolarHBondContact OE2-CB 3.31Å; E119-N132 PolarHBondContact OE2-N 3.49Å; P130-N132 PolarHBondContact O-N 3.43Å; N132-Q134 PolarHBondContact O-N 2.9Å; N132-Q134 WeakPolarHBondContact OD1-CB 3.18Å; N132-Q134 PolarHBondContact OD1-N 2.92Å; N132-Q134 VanDerWaalsContact OD1-N 3.13Å; N132-V135 HydrophobicContact CB-CB 4.26Å; N132-V135 HydrophobicContact CB-CG2 4.13Å; N132-V135 PolarHBondContact O-N 3.03Å; N132-V135 PolarHBondContact OD1-N 2.96Å; N132-V136 PolarHBondContact O-N 3.44Å; N132-V136 VanDerWaalsContact O-N 3.16Å
133Q97.7Very high95.6Very high130 Ų13070.4 Ų70.461%0.60737%0.367SS*.Hα-helixtrans-61.1-29.1-177.6-63.7-61.5-3100113.6T131 V136 H137T131-Q133 PolarHBondContact O-N 2.83Å; T131-Q133 VanDerWaalsContact O-N 3.15Å; Q133-V136 PolarHBondContact O-N 3.2Å; Q133-H137 WeakPolarHBondContact O-CB 3.34Å; Q133-H137 PolarHBondContact O-N 3.36Å
134Q98.3Very high95.9Very high110 Ų11071.8 Ų71.851%0.51437%0.373SS..Hα-helixtrans-66.1-46.2176.9-177.562.125.900110.9N132 V136 H137 E138N132-Q134 PolarHBondContact O-N 2.9Å; N132-Q134 WeakPolarHBondContact OD1-CB 3.18Å; N132-Q134 PolarHBondContact OD1-N 2.92Å; N132-Q134 VanDerWaalsContact OD1-N 3.13Å; Q134-V136 VanDerWaalsContact C-N 3.32Å; Q134-V136 PolarHBondContact O-N 2.71Å; Q134-H137 PolarHBondContact O-N 3.23Å; Q134-E138 PolarHBondContact NE2-OE1 3.09Å; Q134-E138 WeakPolarHBondContact O-CG 3.4Å; Q134-E138 PolarHBondContact O-N 2.99Å
135V98.5Very high96.1Very high40 Ų4076.5 Ų76.524%0.24239%0.389CS..Hα-helixtrans-62.5-41.8177.51730000110.7P115 E119 N132 S139P115-V135 HydrophobicContact CB-CG1 3.95Å; E119-V135 HydrophobicContact CG-CB 4.02Å; E119-V135 HydrophobicContact CG-CG1 3.71Å; N132-V135 HydrophobicContact CB-CB 4.26Å; N132-V135 HydrophobicContact CB-CG2 4.13Å; N132-V135 PolarHBondContact O-N 3.03Å; N132-V135 PolarHBondContact OD1-N 2.96Å; V135-S139 WeakPolarHBondContact O-CB 3.34Å; V135-S139 PolarHBondContact O-N 3.12Å; V135-S139 PolarHBondContact O-OG 3.4Å
136V98.6Very high96.6Very high5 Ų574 Ų743%0.0338%0.377CS..Hα-helixtrans-60.9-48.7175.9174.40000110.8I116 E119 T131 N132 Q133 Q134 S139 L140I116-V136 HydrophobicContact CG2-CG1 4.29Å; E119-V136 HydrophobicContact CB-CG2 3.68Å; E119-V136 HydrophobicContact CG-CG2 4.36Å; T131-V136 HydrophobicContact CG2-CG2 3.68Å; N132-V136 PolarHBondContact O-N 3.44Å; N132-V136 VanDerWaalsContact O-N 3.16Å; Q133-V136 PolarHBondContact O-N 3.2Å; Q134-V136 VanDerWaalsContact C-N 3.32Å; Q134-V136 PolarHBondContact O-N 2.71Å; V136-S139 PolarHBondContact O-N 2.92Å; V136-L140 HydrophobicContact CG1-CD1 3.92Å; V136-L140 HydrophobicContact CG1-CG 4.36Å; V136-L140 WeakPolarHBondContact O-CB 3.37Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.35Å; V136-L140 PolarHBondContact O-N 3.43Å
137H98.4Very high97.2Very high104 Ų10469.9 Ų69.948%0.48136%0.357SS..Hα-helixtrans-61.3-48.5-179.7-176.567.7000112.3Q133 Q134 S139 L140 E141Q133-H137 WeakPolarHBondContact O-CB 3.34Å; Q133-H137 PolarHBondContact O-N 3.36Å; Q134-H137 PolarHBondContact O-N 3.23Å; H137-S139 VanDerWaalsContact C-N 3.27Å; H137-S139 PolarHBondContact O-N 3.15Å; H137-L140 WeakPolarHBondContact O-CB 3.49Å; H137-L140 PolarHBondContact O-N 3.15Å; H137-E141 PolarHBondContact O-N 2.78Å; H137-E141 VanDerWaalsContact O-N 3.12Å
138E98.6Very high97.7Very high87 Ų8767.2 Ų67.241%0.40735%0.352SS..Hα-helixtrans-61.3-37.3177.7-71.8177-167.800112.6Q134 K142Q134-E138 PolarHBondContact NE2-OE1 3.09Å; Q134-E138 WeakPolarHBondContact O-CG 3.4Å; Q134-E138 PolarHBondContact O-N 2.99Å; E138-K142 WeakPolarHBondContact O-CG 3.38Å; E138-K142 PolarHBondContact O-N 3.34Å
139S98.7Very high98Very high6 Ų668.3 Ų68.34%0.04235%0.345CS..Hα-helixtrans-73-34.9179.2-57.90000111.6A112 P115 V135 V136 H137 K142 L143A112-S139 WeakPolarHBondContact O-CB 3.25Å; P115-S139 WeakPolarHBondContact CB-OG 3.22Å; V135-S139 WeakPolarHBondContact O-CB 3.34Å; V135-S139 PolarHBondContact O-N 3.12Å; V135-S139 PolarHBondContact O-OG 3.4Å; V136-S139 PolarHBondContact O-N 2.92Å; H137-S139 VanDerWaalsContact C-N 3.27Å; H137-S139 PolarHBondContact O-N 3.15Å; S139-K142 PolarHBondContact O-N 3.23Å; S139-L143 VanDerWaalsContact O-CB 3.29Å; S139-L143 WeakPolarHBondContact O-CB 3.43Å; S139-L143 PolarHBondContact O-N 3.19Å
140L98.6Very high98.3Very high31 Ų3165.4 Ų65.416%0.16233%0.328CS..Hα-helixtrans-61.8-43.3172.2-77.1168.7000112I116 V136 H137 K142 L143 K144 C184 L187I116-L140 HydrophobicContact CD1-CD2 3.72Å; I116-L140 HydrophobicContact CD1-CG 3.9Å; V136-L140 HydrophobicContact CG1-CD1 3.92Å; V136-L140 HydrophobicContact CG1-CG 4.36Å; V136-L140 WeakPolarHBondContact O-CB 3.37Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.35Å; V136-L140 PolarHBondContact O-N 3.43Å; H137-L140 WeakPolarHBondContact O-CB 3.49Å; H137-L140 PolarHBondContact O-N 3.15Å; L140-K142 VanDerWaalsContact C-N 3.32Å; L140-K142 PolarHBondContact O-N 2.95Å; L140-L143 PolarHBondContact O-N 3.11Å; L140-K144 VanDerWaalsContact O-CG 3.32Å; L140-K144 WeakPolarHBondContact O-CG 3.38Å; L140-K144 PolarHBondContact O-N 2.97Å; L140-C184 HydrophobicContact CD2-CB 3.96Å; L140-L187 HydrophobicContact CD2-CD2 3.87Å
141E98.6Very high98.5Very high74 Ų7461.3 Ų61.335%0.34630%0.298SS..Hα-helixtrans-64.7-36.5177.6-65.8-51.6121.900112.3H137 K144H137-E141 PolarHBondContact O-N 2.78Å; H137-E141 VanDerWaalsContact O-N 3.12Å; E141-K144 IonicContact OE1-NZ 2.69Å; E141-K144 PolarHBondContact OE1-NZ 3.33Å; E141-K144 IonicContact OE2-NZ 3.91Å
142K98.7Very high98.6Very high120 Ų12062.5 Ų62.552%0.52231%0.312SS..Hα-helixtrans-66.9-45.4172.1-68.1168.7-172.3167.50111.2A112 E138 S139 L140 K144 K145 V146A112-K142 HydrophobicContact CB-CB 4.07Å; E138-K142 WeakPolarHBondContact O-CG 3.38Å; E138-K142 PolarHBondContact O-N 3.34Å; S139-K142 PolarHBondContact O-N 3.23Å; L140-K142 VanDerWaalsContact C-N 3.32Å; L140-K142 PolarHBondContact O-N 2.95Å; K142-K144 PolarHBondContact O-N 3.05Å; K142-K145 PolarHBondContact O-N 3.2Å; K142-V146 PolarHBondContact O-N 3.09Å
143L98.8Very high98.6Very high0 Ų062.1 Ų62.10%031%0.305CS..Hα-helixtrans-64-39.8-178.4-176.957.4000111.5Y109 A112 L113 I116 S139 L140 K145 V146 L147 F179 L187Y109-L143 HydrophobicContact CD2-CD1 4.42Å; Y109-L143 HydrophobicContact CE2-CD1 4.27Å; A112-L143 HydrophobicContact CB-CB 4.25Å; A112-L143 HydrophobicContact CB-CD1 4.36Å; L113-L143 HydrophobicContact CB-CD1 4.04Å; L113-L143 HydrophobicContact CB-CD2 4.16Å; L113-L143 HydrophobicContact CD1-CD1 4.49Å; L113-L143 HydrophobicContact CD1-CD2 4.18Å; L113-L143 HydrophobicContact CG-CD2 4.27Å; I116-L143 HydrophobicContact CD1-CD2 3.9Å; S139-L143 VanDerWaalsContact O-CB 3.29Å; S139-L143 WeakPolarHBondContact O-CB 3.43Å; S139-L143 PolarHBondContact O-N 3.19Å; L140-L143 PolarHBondContact O-N 3.11Å; L143-K145 VanDerWaalsContact C-N 3.35Å; L143-K145 PolarHBondContact O-N 3.15Å; L143-V146 WeakPolarHBondContact O-CB 3.5Å; L143-V146 PolarHBondContact O-N 3.35Å; L143-V146 VanDerWaalsContact O-N 3.14Å; L143-L147 HydrophobicContact CD1-CD1 4.39Å; L143-L147 HydrophobicContact CD1-CD2 4.36Å; L143-L147 HydrophobicContact CD1-CG 4.04Å; L143-L147 HydrophobicContact CG-CD1 4.02Å; L143-L147 HydrophobicContact CG-CG 4.12Å; L143-L147 WeakPolarHBondContact O-CB 3.32Å; L143-L147 VanDerWaalsContact O-CG 3.31Å; L143-L147 WeakPolarHBondContact O-CG 3.32Å; L143-L147 PolarHBondContact O-N 3.26Å; L143-F179 HydrophobicContact CD2-CD2 4.38Å; L143-F179 HydrophobicContact CD2-CE2 3.76Å; L143-F179 HydrophobicContact CD2-CZ 3.99Å; L143-L187 HydrophobicContact CB-CD2 4.47Å; L143-L187 HydrophobicContact CD2-CD2 3.72Å; L143-L187 HydrophobicContact CG-CD2 3.96Å
144K98.9Very high98.7Very high70 Ų7056.4 Ų56.430%0.30428%0.278SS..Hα-helixtrans-53.4-48.6174.3-77.7169.8-176.5174.40112.4L140 E141 K142 V146 L147 E148 L187 Y191L140-K144 VanDerWaalsContact O-CG 3.32Å; L140-K144 WeakPolarHBondContact O-CG 3.38Å; L140-K144 PolarHBondContact O-N 2.97Å; E141-K144 IonicContact OE1-NZ 2.69Å; E141-K144 PolarHBondContact OE1-NZ 3.33Å; E141-K144 IonicContact OE2-NZ 3.91Å; K142-K144 PolarHBondContact O-N 3.05Å; K144-V146 VanDerWaalsContact C-N 3.32Å; K144-V146 PolarHBondContact O-N 3.21Å; K144-L147 PolarHBondContact O-N 3.15Å; K144-L147 VanDerWaalsContact O-N 3.15Å; K144-E148 WeakPolarHBondContact O-CG 3.41Å; K144-E148 PolarHBondContact O-N 3.42Å; K144-L187 HydrophobicContact CG-CD1 3.8Å; K144-Y191 WeakPolarHBondContact CA-OH 3.16Å; K144-Y191 PolarHBondContact O-OH 3.24Å
145K98.7Very high98.7Very high142 Ų14254.6 Ų54.662%0.61728%0.278SS*.Hα-helixtrans-63.3-38178.3-64.5178.1-177.9-178.80112.5K142 L143 T149K142-K145 PolarHBondContact O-N 3.2Å; L143-K145 VanDerWaalsContact C-N 3.35Å; L143-K145 PolarHBondContact O-N 3.15Å; K145-T149 PolarHBondContact O-N 2.65Å; K145-T149 PolarHBondContact O-OG1 2.69Å
146V98.9Very high98.7Very high21 Ų2155.8 Ų55.813%0.12730%0.298CS..Hα-helixtrans-65-45.6173.4175.40000110.2Y109 A112 K142 L143 K144 E148 T149 Y150Y109-V146 HydrophobicContact CD2-CG1 3.95Å; A112-V146 HydrophobicContact CB-CG2 4.2Å; K142-V146 PolarHBondContact O-N 3.09Å; L143-V146 WeakPolarHBondContact O-CB 3.5Å; L143-V146 PolarHBondContact O-N 3.35Å; L143-V146 VanDerWaalsContact O-N 3.14Å; K144-V146 VanDerWaalsContact C-N 3.32Å; K144-V146 PolarHBondContact O-N 3.21Å; V146-E148 VanDerWaalsContact C-N 3.33Å; V146-E148 PolarHBondContact O-N 3.13Å; V146-T149 WeakPolarHBondContact O-CB 3.44Å; V146-T149 PolarHBondContact O-N 3.08Å; V146-T149 VanDerWaalsContact O-N 3.08Å; V146-Y150 HydrophobicContact CG1-CD2 3.74Å; V146-Y150 HydrophobicContact CG1-CE2 3.56Å; V146-Y150 VanDerWaalsContact O-CD2 3.22Å; V146-Y150 WeakPolarHBondContact O-CD2 3.33Å; V146-Y150 PolarHBondContact O-N 2.83Å
147L98.9Very high98.6Very high0 Ų056.2 Ų56.20%030%0.301CS..Hα-helixtrans-65.8-32.2-179.4-69.2-177.8000112.9Y109 L143 K144 T149 Y150 E151 L187 F188 Y191 V194Y109-L147 HydrophobicContact CE2-CD2 4.05Å; L143-L147 HydrophobicContact CD1-CD1 4.39Å; L143-L147 HydrophobicContact CD1-CD2 4.36Å; L143-L147 HydrophobicContact CD1-CG 4.04Å; L143-L147 HydrophobicContact CG-CD1 4.02Å; L143-L147 HydrophobicContact CG-CG 4.12Å; L143-L147 WeakPolarHBondContact O-CB 3.32Å; L143-L147 VanDerWaalsContact O-CG 3.31Å; L143-L147 WeakPolarHBondContact O-CG 3.32Å; L143-L147 PolarHBondContact O-N 3.26Å; K144-L147 PolarHBondContact O-N 3.15Å; K144-L147 VanDerWaalsContact O-N 3.15Å; L147-T149 VanDerWaalsContact C-N 3.3Å; L147-T149 PolarHBondContact O-N 2.87Å; L147-Y150 PolarHBondContact O-N 2.91Å; L147-E151 VanDerWaalsContact O-CB 3.24Å; L147-E151 WeakPolarHBondContact O-CB 3.49Å; L147-E151 PolarHBondContact O-N 3.04Å; L147-L187 HydrophobicContact CD1-CD2 3.76Å; L147-L187 HydrophobicContact CD1-CG 3.89Å; L147-F188 HydrophobicContact CD1-CD1 3.97Å; L147-F188 HydrophobicContact CD1-CE1 3.89Å; L147-F188 HydrophobicContact CD2-CE1 4.3Å; L147-F188 HydrophobicContact CD2-CZ 4.35Å; L147-Y191 HydrophobicContact CB-CD1 4.04Å; L147-Y191 HydrophobicContact CB-CD2 3.82Å; L147-Y191 HydrophobicContact CB-CE1 3.85Å; L147-Y191 HydrophobicContact CB-CE2 3.63Å; L147-Y191 HydrophobicContact CB-CG 4.02Å; L147-Y191 HydrophobicContact CD1-CD2 3.73Å; L147-Y191 HydrophobicContact CD1-CE2 3.61Å; L147-Y191 HydrophobicContact CG-CD2 4.39Å; L147-Y191 HydrophobicContact CG-CE2 4.29Å; L147-V194 HydrophobicContact CD2-CG1 4.06Å
148E98.9Very high98.6Very high116 Ų11659.4 Ų59.454%0.54231%0.309SS..Hα-helixtrans-58.7-42.2169.8-72.7165.9-174.600111.7K144 V146 A152 Y191K144-E148 WeakPolarHBondContact O-CG 3.41Å; K144-E148 PolarHBondContact O-N 3.42Å; V146-E148 VanDerWaalsContact C-N 3.33Å; V146-E148 PolarHBondContact O-N 3.13Å; E148-A152 PolarHBondContact O-N 2.81Å; E148-A152 VanDerWaalsContact O-N 3.1Å; E148-Y191 HydrophobicContact CG-CE1 3.94Å
149T98.8Very high98.6Very high88 Ų8856.2 Ų56.254%0.5429%0.294SS..Hα-helixtrans-67.4-40.3176.1-56.50000111.4K145 V146 L147 R153K145-T149 PolarHBondContact O-N 2.65Å; K145-T149 PolarHBondContact O-OG1 2.69Å; V146-T149 WeakPolarHBondContact O-CB 3.44Å; V146-T149 PolarHBondContact O-N 3.08Å; V146-T149 VanDerWaalsContact O-N 3.08Å; L147-T149 VanDerWaalsContact C-N 3.3Å; L147-T149 PolarHBondContact O-N 2.87Å; T149-R153 PolarHBondContact O-N 3.25Å
150Y98.9Very high98.6Very high1 Ų156 Ų560%0.00429%0.292CS..Hα-helixtrans-68-40.5177.8-84.3-125.9000111.9W101 V104 Y109 V146 L147 R153 L154 L160 H172W101-Y150 HydrophobicContact CE3-CE2 4.4Å; W101-Y150 AromaticContact CZ3-CD2 3.95Å; W101-Y150 HydrophobicContact CZ3-CD2 3.95Å; W101-Y150 HydrophobicContact CZ3-CE1 4.33Å; W101-Y150 AromaticContact CZ3-CE2 3.71Å; W101-Y150 HydrophobicContact CZ3-CE2 3.71Å; W101-Y150 HydrophobicContact CZ3-CG 4.37Å; W101-Y150 AromaticContact CZ3-CZ 3.9Å; V104-Y150 HydrophobicContact CG1-CE2 3.72Å; V104-Y150 WeakPolarHBondContact CG1-OH 3.44Å; Y109-Y150 WeakPolarHBondContact CB-OH 3.19Å; Y109-Y150 HydrophobicContact CD2-CD1 4.41Å; Y109-Y150 AromaticContact CD2-CE1 3.83Å; Y109-Y150 HydrophobicContact CD2-CE1 3.83Å; Y109-Y150 HydrophobicContact CD2-CE2 4.24Å; Y109-Y150 AromaticContact CD2-CZ 3.74Å; Y109-Y150 HydrophobicContact CE2-CE1 4.25Å; Y109-Y150 HydrophobicContact CG-CE1 4.5Å; V146-Y150 HydrophobicContact CG1-CD2 3.74Å; V146-Y150 HydrophobicContact CG1-CE2 3.56Å; V146-Y150 VanDerWaalsContact O-CD2 3.22Å; V146-Y150 WeakPolarHBondContact O-CD2 3.33Å; V146-Y150 PolarHBondContact O-N 2.83Å; L147-Y150 PolarHBondContact O-N 2.91Å; Y150-R153 WeakPolarHBondContact O-CB 3.41Å; Y150-R153 PolarHBondContact O-N 3.38Å; Y150-L154 WeakPolarHBondContact O-CB 3.46Å; Y150-L154 WeakPolarHBondContact O-CG 3.38Å; Y150-L154 PolarHBondContact O-N 3.33Å; Y150-L160 HydrophobicContact CD1-CD2 3.85Å; Y150-L160 HydrophobicContact CE1-CD1 4.01Å; Y150-L160 HydrophobicContact CE1-CD2 3.91Å; Y150-H172 AromaticContact CE1-CD2 3.87Å; Y150-H172 AromaticContact CE1-NE2 3.42Å; Y150-H172 WeakPolarHBondContact CE1-NE2 3.39Å; Y150-H172 AromaticContact CZ-NE2 3.61Å; Y150-H172 PolarHBondContact OH-NE2 3.27Å
151E98.9Very high98.6Very high30 Ų3054.5 Ų54.514%0.1428%0.284CS..Hα-helixtrans-61.5-46.1177-179.263.6-169.300110.8L147 R153 L154 S155 Y191 P192 H193 V194L147-E151 VanDerWaalsContact O-CB 3.24Å; L147-E151 WeakPolarHBondContact O-CB 3.49Å; L147-E151 PolarHBondContact O-N 3.04Å; E151-R153 VanDerWaalsContact C-N 3.34Å; E151-R153 PolarHBondContact O-N 3.35Å; E151-L154 PolarHBondContact O-N 3.4Å; E151-S155 WeakPolarHBondContact O-CB 3.45Å; E151-S155 PolarHBondContact O-N 2.92Å; E151-Y191 HydrophobicContact CB-CD1 3.9Å; E151-Y191 HydrophobicContact CG-CD1 4.23Å; E151-Y191 WeakPolarHBondContact OE2-CA 3.22Å; E151-Y191 WeakPolarHBondContact OE2-CB 2.94Å; E151-P192 WeakPolarHBondContact OE1-CD 3.38Å; E151-P192 WeakPolarHBondContact OE1-CG 3.35Å; E151-H193 IonicContact OE1-CE1 3.21Å; E151-H193 IonicContact OE1-CG 2.72Å; E151-H193 PolarHBondContact OE1-N 2.88Å; E151-H193 IonicContact OE1-ND1 3.75Å; E151-H193 PolarHBondContact OE1-ND1 3.4Å; E151-H193 WeakPolarHBondContact OE2-CA 3.44Å; E151-H193 WeakPolarHBondContact OE2-CB 3.2Å; E151-H193 PolarHBondContact OE2-N 3.39Å; E151-H193 IonicContact OE2-ND1 3.09Å; E151-V194 HydrophobicContact CB-CG2 4.14Å; E151-V194 PolarHBondContact OE2-N 3.14Å
152A98.7Very high98.6Very high63 Ų6351.5 Ų51.552%0.52127%0.273SS..Hα-helixtrans-60.7-42.9173.900000111.7E148 S155E148-A152 PolarHBondContact O-N 2.81Å; E148-A152 VanDerWaalsContact O-N 3.1Å; A152-S155 PolarHBondContact O-OG 3.4Å
153R98.8Very high98.6Very high67 Ų6751.6 Ų51.625%0.25328%0.279SS..Hα-helixtrans-61.7-51177.517360.5176.6155.82.9112W101 T149 Y150 E151 S155 G156 S157 L160W101-R153 HydrophobicContact CH2-CB 3.58Å; W101-R153 HydrophobicContact CH2-CG 3.54Å; W101-R153 HydrophobicContact CZ2-CB 3.77Å; W101-R153 HydrophobicContact CZ2-CG 3.3Å; W101-R153 HydrophobicContact CZ3-CG 4.38Å; T149-R153 PolarHBondContact O-N 3.25Å; Y150-R153 WeakPolarHBondContact O-CB 3.41Å; Y150-R153 PolarHBondContact O-N 3.38Å; E151-R153 VanDerWaalsContact C-N 3.34Å; E151-R153 PolarHBondContact O-N 3.35Å; R153-S155 PolarHBondContact O-N 3.19Å; R153-G156 PolarHBondContact O-N 2.9Å; R153-G156 VanDerWaalsContact O-N 3.12Å; R153-S157 PolarHBondContact O-N 2.9Å; R153-L160 HydrophobicContact CG-CD2 4.45Å; R153-L160 PolarHBondContact NE-O 3.23Å; R153-L160 PolarHBondContact NH2-O 2.89Å
154L98.9Very high98.5Very high10 Ų1052.8 Ų52.85%0.05229%0.285CS..Hα-helixtrans-76-14.2-174.2-68.7167.2000112.5Y150 E151 G156 S157 L160 H193 V194 W197Y150-L154 WeakPolarHBondContact O-CB 3.46Å; Y150-L154 WeakPolarHBondContact O-CG 3.38Å; Y150-L154 PolarHBondContact O-N 3.33Å; E151-L154 PolarHBondContact O-N 3.4Å; L154-G156 VanDerWaalsContact C-N 3.25Å; L154-S157 CarbonylContact C-O 3.56Å; L154-S157 WeakPolarHBondContact CA-O 3.5Å; L154-L160 HydrophobicContact CD1-CD2 4.25Å; L154-L160 HydrophobicContact CD2-CD2 4Å; L154-L160 HydrophobicContact CG-CD2 4.11Å; L154-H193 HydrophobicContact CB-CB 3.79Å; L154-V194 HydrophobicContact CD1-CB 4.42Å; L154-V194 HydrophobicContact CD1-CG2 4.06Å; L154-W197 HydrophobicContact CD1-CB 3.73Å; L154-W197 HydrophobicContact CD1-CD2 4.05Å; L154-W197 HydrophobicContact CD1-CE3 4.3Å; L154-W197 HydrophobicContact CD1-CG 3.81Å; L154-W197 HydrophobicContact CD2-CB 4.07Å; L154-W197 HydrophobicContact CD2-CG 3.92Å; L154-W197 HydrophobicContact CG-CB 4.47Å
155S98.4Very high98.5Very high71 Ų7150.4 Ų50.450%0.49728%0.275SS..Hα-helixtrans-67.1-28.3166.579.40000112.8E151 A152 R153E151-S155 WeakPolarHBondContact O-CB 3.45Å; E151-S155 PolarHBondContact O-N 2.92Å; A152-S155 PolarHBondContact O-OG 3.4Å; R153-S155 PolarHBondContact O-N 3.19Å
156G97.7Very high98.5Very high65 Ų6543.6 Ų43.667%0.6725%0.245SC*.SBendtrans-101.4-6.3-177.500000115R153 L154R153-G156 PolarHBondContact O-N 2.9Å; R153-G156 VanDerWaalsContact O-N 3.12Å; L154-G156 VanDerWaalsContact C-N 3.25Å
157S97.8Very high98.5Very high14 Ų1442.7 Ų42.710%0.09824%0.24CC..  trans-160.5150.5-179.2-167.10000111.7R153 L154 Y159 G162 D163R153-S157 PolarHBondContact O-N 2.9Å; L154-S157 CarbonylContact C-O 3.56Å; L154-S157 WeakPolarHBondContact CA-O 3.5Å; S157-Y159 VanDerWaalsContact C-N 3.32Å; S157-Y159 PolarHBondContact O-N 2.91Å; S157-G162 WeakPolarHBondContact OG-CA 3.36Å; S157-G162 PolarHBondContact OG-O 2.95Å; S157-D163 WeakPolarHBondContact CA-OD1 3.29Å; S157-D163 PolarHBondContact OG-N 2.94Å; S157-D163 PolarHBondContact OG-OD1 3.15Å
158R97.8Very high98.5Very high172 Ų17242.7 Ų42.765%0.64924%0.24SC*.SBendtrans-65.6-33.6-176.9-173.3177.2177.8178.92.7113.8D163R158-D163 PolarHBondContact N-OD1 2.85Å; R158-D163 VanDerWaalsContact N-OD1 3.07Å
159Y98.9Very high98.5Very high20 Ų2037.2 Ų37.28%0.07821%0.214CC..SBendtrans-132.6169.7-178.7-63.7-78.6000110.3S157 A161 G162 F164 L165 D169 W197 L201S157-Y159 VanDerWaalsContact C-N 3.32Å; S157-Y159 PolarHBondContact O-N 2.91Å; Y159-A161 PolarHBondContact O-N 3.46Å; Y159-G162 CarbonylContact C-O 3.51Å; Y159-G162 WeakPolarHBondContact CA-O 3.18Å; Y159-G162 VanDerWaalsContact CB-O 3.25Å; Y159-G162 WeakPolarHBondContact CB-O 3.49Å; Y159-G162 PolarHBondContact N-O 3.46Å; Y159-G162 PolarHBondContact O-N 3.33Å; Y159-F164 WeakPolarHBondContact CB-O 3.4Å; Y159-F164 WeakPolarHBondContact CD2-O 3.47Å; Y159-L165 HydrophobicContact CD1-CB 4.37Å; Y159-L165 HydrophobicContact CD1-CD1 3.87Å; Y159-L165 HydrophobicContact CD2-CB 4.49Å; Y159-L165 VanDerWaalsContact CD2-N 3.26Å; Y159-L165 HydrophobicContact CE1-CB 4.09Å; Y159-L165 HydrophobicContact CE1-CD1 3.63Å; Y159-L165 HydrophobicContact CE1-CG 4.49Å; Y159-L165 HydrophobicContact CE2-CB 4.18Å; Y159-D169 WeakPolarHBondContact CB-OD1 3.42Å; Y159-D169 HydrophobicContact CD1-CB 4.43Å; Y159-W197 AromaticContact CD1-CD1 3.98Å; Y159-L201 HydrophobicContact CE1-CD2 4.42Å
160L98.9Very high98.5Very high0 Ų033.1 Ų33.10%019%0.189CC..SBendtrans-64.1-41.3-173.3-64.8175.1000111.9W101 Y150 R153 L154 D169 H172 W197W101-L160 HydrophobicContact CB-CB 3.81Å; W101-L160 HydrophobicContact CD2-CB 3.8Å; W101-L160 HydrophobicContact CD2-CD2 4.27Å; W101-L160 HydrophobicContact CD2-CG 4.48Å; W101-L160 HydrophobicContact CE3-CB 4.02Å; W101-L160 HydrophobicContact CE3-CD1 4.19Å; W101-L160 HydrophobicContact CE3-CD2 3.72Å; W101-L160 HydrophobicContact CE3-CG 4.19Å; W101-L160 HydrophobicContact CG-CB 3.7Å; W101-L160 HydrophobicContact CZ3-CD2 3.85Å; W101-L160 PolarHBondContact NE1-O 2.74Å; Y150-L160 HydrophobicContact CD1-CD2 3.85Å; Y150-L160 HydrophobicContact CE1-CD1 4.01Å; Y150-L160 HydrophobicContact CE1-CD2 3.91Å; R153-L160 HydrophobicContact CG-CD2 4.45Å; R153-L160 PolarHBondContact NE-O 3.23Å; R153-L160 PolarHBondContact NH2-O 2.89Å; L154-L160 HydrophobicContact CD1-CD2 4.25Å; L154-L160 HydrophobicContact CD2-CD2 4Å; L154-L160 HydrophobicContact CG-CD2 4.11Å; L160-D169 WeakPolarHBondContact CG-OD1 3.29Å; L160-D169 PolarHBondContact N-OD1 2.95Å; L160-H172 WeakPolarHBondContact CD1-CE1 3.42Å; L160-W197 HydrophobicContact CD1-CZ2 3.85Å; L160-W197 HydrophobicContact CG-CZ2 4.28Å
161A98.7Very high98.5Very high1 Ų133.1 Ų33.11%0.00819%0.189CC..SBendtrans-83.9-10.7-179.400000114.4L97 V98 Y159 F164L97-A161 HydrophobicContact CB-CB 4.2Å; L97-A161 WeakPolarHBondContact CB-O 3.48Å; L97-A161 WeakPolarHBondContact CD1-O 3.43Å; V98-A161 HydrophobicContact CB-CB 4.44Å; V98-A161 HydrophobicContact CG2-CB 3.73Å; Y159-A161 PolarHBondContact O-N 3.46Å; A161-F164 HydrophobicContact CB-CE2 3.79Å; A161-F164 HydrophobicContact CB-CZ 3.95Å
162G98.3Very high98.5Very high11 Ų1131.7 Ų31.711%0.11318%0.182CC..SBendtrans147.2-158.9-17300000111.2S157 Y159 F164S157-G162 WeakPolarHBondContact OG-CA 3.36Å; S157-G162 PolarHBondContact OG-O 2.95Å; Y159-G162 CarbonylContact C-O 3.51Å; Y159-G162 WeakPolarHBondContact CA-O 3.18Å; Y159-G162 VanDerWaalsContact CB-O 3.25Å; Y159-G162 WeakPolarHBondContact CB-O 3.49Å; Y159-G162 PolarHBondContact N-O 3.46Å; Y159-G162 PolarHBondContact O-N 3.33Å; G162-F164 PolarHBondContact O-N 3.47Å
163D98Very high98.5Very high121 Ų12128.7 Ų28.765%0.64716%0.158SC*.SBendtrans-83.226.8-177.8-62.9-34.5000113.5S157 R158S157-D163 WeakPolarHBondContact CA-OD1 3.29Å; S157-D163 PolarHBondContact OG-N 2.94Å; S157-D163 PolarHBondContact OG-OD1 3.15Å; R158-D163 PolarHBondContact N-OD1 2.85Å; R158-D163 VanDerWaalsContact N-OD1 3.07Å
164F98Very high98.5Very high26 Ų2625.5 Ų25.511%0.11415%0.146CC..SBendtrans-136.6142.9179.256.2-93.1000111.7R88 E94 V98 Y159 A161 G162R88-F164 HydrophobicContact CG-CD2 4.07Å; R88-F164 HydrophobicContact CG-CE2 3.59Å; R88-F164 HydrophobicContact CG-CZ 4.08Å; R88-F164 VanDerWaalsContact CZ-CD2 3.48Å; E94-F164 HydrophobicContact CB-CE1 4.23Å; E94-F164 HydrophobicContact CB-CZ 3.77Å; E94-F164 HydrophobicContact CG-CE1 3.82Å; E94-F164 HydrophobicContact CG-CZ 3.9Å; E94-F164 WeakPolarHBondContact OE1-CE1 3.42Å; V98-F164 HydrophobicContact CG2-CE2 3.88Å; V98-F164 HydrophobicContact CG2-CZ 4.46Å; Y159-F164 WeakPolarHBondContact CB-O 3.4Å; Y159-F164 WeakPolarHBondContact CD2-O 3.47Å; A161-F164 HydrophobicContact CB-CE2 3.79Å; A161-F164 HydrophobicContact CB-CZ 3.95Å; G162-F164 PolarHBondContact O-N 3.47Å
165L98.5Very high98.5Very high19 Ų1925.3 Ų25.310%0.09914%0.144CC..  trans-64.6137.6170.8-179.474.8000109.4L86 Y159 D169 L170 L201L86-L165 HydrophobicContact CD2-CB 4.49Å; L86-L165 HydrophobicContact CD2-CD2 3.99Å; L86-L165 HydrophobicContact CD2-CG 3.97Å; Y159-L165 HydrophobicContact CD1-CB 4.37Å; Y159-L165 HydrophobicContact CD1-CD1 3.87Å; Y159-L165 HydrophobicContact CD2-CB 4.49Å; Y159-L165 VanDerWaalsContact CD2-N 3.26Å; Y159-L165 HydrophobicContact CE1-CB 4.09Å; Y159-L165 HydrophobicContact CE1-CD1 3.63Å; Y159-L165 HydrophobicContact CE1-CG 4.49Å; Y159-L165 HydrophobicContact CE2-CB 4.18Å; L165-D169 HydrophobicContact CD1-CB 3.71Å; L165-L170 HydrophobicContact CD1-CD2 4.25Å; L165-L170 HydrophobicContact CD1-CG 4.45Å; L165-L170 HydrophobicContact CD2-CD2 4.2Å; L165-L201 HydrophobicContact CD1-CD2 3.5Å
166S98.8Very high98.5Very high0 Ų021.9 Ų21.90%012%0.12CC..  trans-136.7175.1177.869.50000112.4L86 A168 D169 L170L86-S166 CarbonylContact O-C 3.33Å; L86-S166 WeakPolarHBondContact O-CA 3.2Å; S166-A168 PolarHBondContact O-N 3.29Å; S166-A168 VanDerWaalsContact OG-CB 3.29Å; S166-A168 WeakPolarHBondContact OG-CB 3.46Å; S166-A168 PolarHBondContact OG-N 2.73Å; S166-D169 PolarHBondContact N-OD2 3.18Å; S166-D169 PolarHBondContact O-N 2.99Å; S166-D169 PolarHBondContact OG-OD2 2.85Å; S166-L170 PolarHBondContact O-N 3.3Å
167F98.9Very high98.5Very high2 Ų220.1 Ų20.11%0.0099%0.094CC..Hα-helixtrans-56.2-32.1169.1-177.4-130.6000111.7R69 A72 K73 L76 L86 L87 V98 T102 D169 L170 N171R69-F167 HydrophobicContact CB-CZ 4.16Å; R69-F167 HydrophobicContact CG-CZ 4.28Å; A72-F167 HydrophobicContact CB-CD2 4.44Å; A72-F167 HydrophobicContact CB-CE2 3.41Å; A72-F167 VanDerWaalsContact CB-CE2 3.41Å; A72-F167 HydrophobicContact CB-CZ 3.62Å; K73-F167 HydrophobicContact CD-CE1 4.19Å; K73-F167 HydrophobicContact CG-CD1 4.07Å; K73-F167 HydrophobicContact CG-CE1 3.65Å; K73-F167 HydrophobicContact CG-CZ 4.27Å; L76-F167 HydrophobicContact CD1-CB 3.81Å; L76-F167 HydrophobicContact CD1-CD2 3.64Å; L76-F167 HydrophobicContact CD1-CE2 4.41Å; L76-F167 HydrophobicContact CD1-CG 3.81Å; L86-F167 PolarHBondContact O-N 3.37Å; L87-F167 HydrophobicContact CD2-CB 3.74Å; L87-F167 HydrophobicContact CD2-CD1 3.92Å; L87-F167 HydrophobicContact CD2-CG 4.03Å; V98-F167 HydrophobicContact CG1-CB 4.12Å; T102-F167 HydrophobicContact CG2-CD1 4.11Å; T102-F167 HydrophobicContact CG2-CE1 3.9Å; F167-D169 VanDerWaalsContact C-N 3.28Å; F167-D169 PolarHBondContact O-N 3.17Å; F167-L170 PolarHBondContact O-N 3.42Å; F167-N171 WeakPolarHBondContact CD1-ND2 3.41Å; F167-N171 VanDerWaalsContact CD2-ND2 3.31Å; F167-N171 WeakPolarHBondContact CD2-ND2 3.46Å; F167-N171 WeakPolarHBondContact CE1-ND2 3.43Å; F167-N171 VanDerWaalsContact CE2-CG 3.46Å; F167-N171 WeakPolarHBondContact CE2-ND2 3.49Å; F167-N171 WeakPolarHBondContact CE2-OD1 3.24Å; F167-N171 VanDerWaalsContact CG-ND2 3.34Å; F167-N171 WeakPolarHBondContact CG-ND2 3.39Å; F167-N171 WeakPolarHBondContact CZ-ND2 3.38Å; F167-N171 WeakPolarHBondContact CZ-OD1 3.23Å; F167-N171 WeakPolarHBondContact O-CB 3.15Å; F167-N171 VanDerWaalsContact O-CG 3.31Å; F167-N171 PolarHBondContact O-N 2.77Å; F167-N171 VanDerWaalsContact O-N 3.09Å; F167-N171 PolarHBondContact O-ND2 3.1Å
168A98.9Very high98.5Very high0 Ų019.8 Ų19.80%09%0.091CC..Hα-helixtrans-55.6-45.4177.100000111.3V98 W101 T102 S166 H172V98-A168 HydrophobicContact CG1-CB 4.5Å; W101-A168 HydrophobicContact CB-CB 3.54Å; T102-A168 WeakPolarHBondContact OG1-CA 3.36Å; S166-A168 PolarHBondContact O-N 3.29Å; S166-A168 VanDerWaalsContact OG-CB 3.29Å; S166-A168 WeakPolarHBondContact OG-CB 3.46Å; S166-A168 PolarHBondContact OG-N 2.73Å; A168-H172 PolarHBondContact O-CE1 3.13Å; A168-H172 PolarHBondContact O-ND1 2.92Å
169D98.9Very high98.6Very high0 Ų011.6 Ų11.60%06%0.06CC..Hα-helixtrans-73.6-42.3-178.4-49.4-89.2000112.8Y159 L160 L165 S166 F167 N171 H172 W197 L201Y159-D169 WeakPolarHBondContact CB-OD1 3.42Å; Y159-D169 HydrophobicContact CD1-CB 4.43Å; L160-D169 WeakPolarHBondContact CG-OD1 3.29Å; L160-D169 PolarHBondContact N-OD1 2.95Å; L165-D169 HydrophobicContact CD1-CB 3.71Å; S166-D169 PolarHBondContact N-OD2 3.18Å; S166-D169 PolarHBondContact O-N 2.99Å; S166-D169 PolarHBondContact OG-OD2 2.85Å; F167-D169 VanDerWaalsContact C-N 3.28Å; F167-D169 PolarHBondContact O-N 3.17Å; D169-N171 PolarHBondContact O-N 3.15Å; D169-H172 PolarHBondContact O-N 3.43Å; D169-W197 HydrophobicContact CB-CZ2 4.3Å; D169-W197 PolarHBondContact OD1-NE1 2.67Å; D169-L201 HydrophobicContact CB-CD1 4.36Å; D169-L201 HydrophobicContact CB-CD2 4.01Å; D169-L201 WeakPolarHBondContact O-CD1 3.4Å
170L98.8Very high98.5Very high3 Ų313.1 Ų13.12%0.0167%0.068CC..Hα-helixtrans-64.2-28.6-178.7-65.3178.4000112.3V20 E24 L86 L165 S166 F167 H172 F173 I207V20-L170 HydrophobicContact CG1-CD1 4.49Å; V20-L170 HydrophobicContact CG1-CD2 4.01Å; E24-L170 HydrophobicContact CG-CD1 3.8Å; E24-L170 HydrophobicContact CG-CD2 4.49Å; L86-L170 HydrophobicContact CD1-CD1 3.62Å; L86-L170 HydrophobicContact CD2-CD1 4.12Å; L86-L170 HydrophobicContact CG-CD1 4.44Å; L165-L170 HydrophobicContact CD1-CD2 4.25Å; L165-L170 HydrophobicContact CD1-CG 4.45Å; L165-L170 HydrophobicContact CD2-CD2 4.2Å; S166-L170 PolarHBondContact O-N 3.3Å; F167-L170 PolarHBondContact O-N 3.42Å; L170-H172 VanDerWaalsContact C-N 3.26Å; L170-H172 PolarHBondContact O-N 2.89Å; L170-F173 WeakPolarHBondContact O-CB 3.45Å; L170-F173 PolarHBondContact O-N 3.44Å; L170-I207 HydrophobicContact CD2-CD1 4.06Å
171N98.7Very high98.4Very high0 Ų015.1 Ų15.10%09%0.085CC..THydrogen-bonded Turntrans-62.8-29.5178.6-88.4-51.2000113.4R17 E105 F167 D169 F173R17-N171 VanDerWaalsContact CD-OD1 3.31Å; R17-N171 WeakPolarHBondContact CD-OD1 3.44Å; R17-N171 VanDerWaalsContact CZ-O 3.23Å; R17-N171 PolarHBondContact NH1-O 2.8Å; R17-N171 PolarHBondContact NH1-OD1 3.2Å; R17-N171 PolarHBondContact NH2-O 3.08Å; E105-N171 HydrophobicContact CB-CB 4.49Å; E105-N171 HydrophobicContact CG-CB 4.04Å; F167-N171 WeakPolarHBondContact CD1-ND2 3.41Å; F167-N171 VanDerWaalsContact CD2-ND2 3.31Å; F167-N171 WeakPolarHBondContact CD2-ND2 3.46Å; F167-N171 WeakPolarHBondContact CE1-ND2 3.43Å; F167-N171 VanDerWaalsContact CE2-CG 3.46Å; F167-N171 WeakPolarHBondContact CE2-ND2 3.49Å; F167-N171 WeakPolarHBondContact CE2-OD1 3.24Å; F167-N171 VanDerWaalsContact CG-ND2 3.34Å; F167-N171 WeakPolarHBondContact CG-ND2 3.39Å; F167-N171 WeakPolarHBondContact CZ-ND2 3.38Å; F167-N171 WeakPolarHBondContact CZ-OD1 3.23Å; F167-N171 WeakPolarHBondContact O-CB 3.15Å; F167-N171 VanDerWaalsContact O-CG 3.31Å; F167-N171 PolarHBondContact O-N 2.77Å; F167-N171 VanDerWaalsContact O-N 3.09Å; F167-N171 PolarHBondContact O-ND2 3.1Å; D169-N171 PolarHBondContact O-N 3.15Å; N171-F173 VanDerWaalsContact C-N 3.34Å
172H98.8Very high98.3Very high1 Ų115.5 Ų15.51%0.0059%0.087CC..THydrogen-bonded Turntrans-73.2-28.4179.3-60.971.7000112.6E105 Y109 Y150 L160 A168 D169 L170 T176 W197E105-H172 VanDerWaalsContact CB-CE1 3.42Å; E105-H172 WeakPolarHBondContact CB-CE1 3.11Å; Y109-H172 AromaticContact CD1-CD2 3.57Å; Y109-H172 HydrophobicContact CE1-CB 4.47Å; Y109-H172 AromaticContact CE1-CD2 3.71Å; Y109-H172 AromaticContact CG-CD2 3.75Å; Y109-H172 AromaticContact CZ-CD2 4Å; Y150-H172 AromaticContact CE1-CD2 3.87Å; Y150-H172 AromaticContact CE1-NE2 3.42Å; Y150-H172 WeakPolarHBondContact CE1-NE2 3.39Å; Y150-H172 AromaticContact CZ-NE2 3.61Å; Y150-H172 PolarHBondContact OH-NE2 3.27Å; L160-H172 WeakPolarHBondContact CD1-CE1 3.42Å; A168-H172 PolarHBondContact O-CE1 3.13Å; A168-H172 PolarHBondContact O-ND1 2.92Å; D169-H172 PolarHBondContact O-N 3.43Å; L170-H172 VanDerWaalsContact C-N 3.26Å; L170-H172 PolarHBondContact O-N 2.89Å; H172-T176 WeakPolarHBondContact O-CB 3.22Å; H172-T176 PolarHBondContact O-N 3.44Å; H172-T176 VanDerWaalsContact O-N 3.15Å; H172-T176 PolarHBondContact O-OG1 3.41Å; H172-W197 HydrophobicContact CB-CH2 3.62Å; H172-W197 HydrophobicContact CB-CZ2 4.2Å; H172-W197 AromaticContact CG-CH2 3.67Å
173F98.8Very high98.2Very high0 Ų020.6 Ų20.60%012%0.118CC..Hα-helixtrans-46.5-55.8-170158.6-106.9000114.8V20 L170 N171 F175 T176 F177 W198 M202 I207 I210 M214V20-F173 HydrophobicContact CG2-CD1 3.54Å; V20-F173 HydrophobicContact CG2-CE1 3.55Å; L170-F173 WeakPolarHBondContact O-CB 3.45Å; L170-F173 PolarHBondContact O-N 3.44Å; N171-F173 VanDerWaalsContact C-N 3.34Å; F173-F175 PolarHBondContact O-N 3.09Å; F173-T176 PolarHBondContact O-N 3.01Å; F173-F177 HydrophobicContact CD2-CB 4.09Å; F173-F177 HydrophobicContact CE2-CB 3.71Å; F173-F177 AromaticContact CE2-CD2 3.86Å; F173-F177 HydrophobicContact CE2-CD2 3.86Å; F173-F177 AromaticContact CE2-CG 3.9Å; F173-F177 HydrophobicContact CE2-CG 3.9Å; F173-F177 HydrophobicContact CZ-CB 4.34Å; F173-F177 HydrophobicContact CZ-CG 4.36Å; F173-F177 WeakPolarHBondContact O-CB 3.15Å; F173-F177 PolarHBondContact O-N 3.25Å; F173-W198 HydrophobicContact CD2-CH2 4.05Å; F173-W198 HydrophobicContact CD2-CZ3 4.44Å; F173-M202 HydrophobicContact CD2-SD 4.09Å; F173-M202 HydrophobicContact CE2-SD 4.01Å; F173-I207 HydrophobicContact CB-CD1 4.17Å; F173-I207 HydrophobicContact CD1-CG1 4.48Å; F173-I207 HydrophobicContact CD2-CB 4.49Å; F173-I207 HydrophobicContact CD2-CD1 4.34Å; F173-I207 HydrophobicContact CD2-CG1 4.24Å; F173-I207 HydrophobicContact CD2-CG2 3.57Å; F173-I207 HydrophobicContact CE2-CG2 3.5Å; F173-I207 HydrophobicContact CG-CD1 4.23Å; F173-I207 HydrophobicContact CG-CG1 4.15Å; F173-I207 HydrophobicContact CG-CG2 4.32Å; F173-I207 HydrophobicContact CZ-CG2 4.17Å; F173-I210 HydrophobicContact CE1-CB 4.43Å; F173-I210 HydrophobicContact CE1-CG2 4.04Å; F173-I210 HydrophobicContact CZ-CG2 4.48Å; F173-M214 HydrophobicContact CE1-SD 3.85Å; F173-M214 HydrophobicContact CZ-SD 3.64Å
174P98.3Very high98.2Very high0 Ų015.8 Ų15.80%09%0.094CC..Hα-helixtrans-66.4-40.7-164.5-22.333.2000114.1T13 R17 M214T13-P174 HydrophobicContact CG2-CB 4.21Å; T13-P174 WeakPolarHBondContact O-CB 3.49Å; T13-P174 WeakPolarHBondContact O-CG 3.41Å; R17-P174 HydrophobicContact CB-CG 3.92Å; P174-M214 HydrophobicContact CB-CE 4.39Å
175F98.3Very high98.1Very high5 Ų515.8 Ų15.82%0.02210%0.099CC..Hα-helixtrans-79.1-38.8178.6-93-82.9000111.7T13 Y110 L113 V117 F118 F173 F177 Y178 F179T13-F175 VanDerWaalsContact CB-CE2 3.43Å; T13-F175 HydrophobicContact CG2-CD1 4.24Å; T13-F175 HydrophobicContact CG2-CD2 3.9Å; T13-F175 HydrophobicContact CG2-CE1 4.21Å; T13-F175 HydrophobicContact CG2-CE2 3.88Å; T13-F175 HydrophobicContact CG2-CG 4.08Å; T13-F175 HydrophobicContact CG2-CZ 4.02Å; T13-F175 WeakPolarHBondContact OG1-CE2 3.46Å; T13-F175 WeakPolarHBondContact OG1-CZ 3.37Å; Y110-F175 HydrophobicContact CD2-CD1 4.45Å; Y110-F175 AromaticContact CD2-CD2 3.82Å; Y110-F175 HydrophobicContact CD2-CD2 3.82Å; Y110-F175 HydrophobicContact CD2-CE2 4.04Å; Y110-F175 HydrophobicContact CD2-CG 4.04Å; Y110-F175 HydrophobicContact CD2-CZ 4.47Å; Y110-F175 HydrophobicContact CE2-CD1 4.04Å; Y110-F175 AromaticContact CE2-CD2 3.58Å; Y110-F175 HydrophobicContact CE2-CD2 3.58Å; Y110-F175 AromaticContact CE2-CE1 3.82Å; Y110-F175 HydrophobicContact CE2-CE1 3.82Å; Y110-F175 AromaticContact CE2-CE2 3.32Å; Y110-F175 HydrophobicContact CE2-CE2 3.32Å; Y110-F175 AromaticContact CE2-CG 3.94Å; Y110-F175 HydrophobicContact CE2-CG 3.94Å; Y110-F175 AromaticContact CE2-CZ 3.47Å; Y110-F175 HydrophobicContact CE2-CZ 3.47Å; Y110-F175 VanDerWaalsContact CE2-CZ 3.47Å; L113-F175 HydrophobicContact CD2-CB 3.81Å; V117-F175 HydrophobicContact CB-CD1 4.23Å; V117-F175 HydrophobicContact CG1-CD1 4.2Å; V117-F175 HydrophobicContact CG1-CE1 4.36Å; V117-F175 HydrophobicContact CG2-CD1 4.34Å; F118-F175 HydrophobicContact CE2-CE1 4.11Å; F118-F175 HydrophobicContact CE2-CZ 4.29Å; F173-F175 PolarHBondContact O-N 3.09Å; F175-F177 VanDerWaalsContact C-N 3.27Å; F175-F177 PolarHBondContact O-N 3.41Å; F175-Y178 PolarHBondContact O-N 3.47Å; F175-F179 PolarHBondContact O-N 3.16Å
176T98.8Very high98.1Very high0 Ų018.6 Ų18.60%012%0.12CC..Hα-helixtrans-63.6-35.9175.8-51.70000111.2Y109 H172 F173 Y178 F179 M180 F188 W198Y109-T176 WeakPolarHBondContact CE1-OG1 3.39Å; Y109-T176 WeakPolarHBondContact OH-CG2 3.29Å; Y109-T176 PolarHBondContact OH-OG1 3.39Å; H172-T176 WeakPolarHBondContact O-CB 3.22Å; H172-T176 PolarHBondContact O-N 3.44Å; H172-T176 VanDerWaalsContact O-N 3.15Å; H172-T176 PolarHBondContact O-OG1 3.41Å; F173-T176 PolarHBondContact O-N 3.01Å; T176-Y178 VanDerWaalsContact C-N 3.35Å; T176-Y178 PolarHBondContact O-N 3.3Å; T176-F179 WeakPolarHBondContact O-CB 3.29Å; T176-F179 PolarHBondContact O-N 2.94Å; T176-F179 VanDerWaalsContact O-N 3.16Å; T176-M180 HydrophobicContact CG2-CE 4Å; T176-M180 VanDerWaalsContact O-CG 3.23Å; T176-M180 WeakPolarHBondContact O-CG 3.31Å; T176-M180 PolarHBondContact O-N 3.25Å; T176-F188 HydrophobicContact CG2-CE2 3.83Å; T176-F188 HydrophobicContact CG2-CZ 3.73Å; T176-W198 HydrophobicContact CG2-CD2 3.89Å; T176-W198 HydrophobicContact CG2-CE3 3.58Å; T176-W198 HydrophobicContact CG2-CH2 3.82Å; T176-W198 HydrophobicContact CG2-CZ2 4.1Å; T176-W198 HydrophobicContact CG2-CZ3 3.55Å
177F98.4Very high98.1Very high28 Ų2819.7 Ų19.712%0.12313%0.126CC..Hα-helixtrans-57.8-45.7174.7179.2-97.1000112.1F173 F175 M180 W198 M202 S211 M214 T216F173-F177 HydrophobicContact CD2-CB 4.09Å; F173-F177 HydrophobicContact CE2-CB 3.71Å; F173-F177 AromaticContact CE2-CD2 3.86Å; F173-F177 HydrophobicContact CE2-CD2 3.86Å; F173-F177 AromaticContact CE2-CG 3.9Å; F173-F177 HydrophobicContact CE2-CG 3.9Å; F173-F177 HydrophobicContact CZ-CB 4.34Å; F173-F177 HydrophobicContact CZ-CG 4.36Å; F173-F177 WeakPolarHBondContact O-CB 3.15Å; F173-F177 PolarHBondContact O-N 3.25Å; F175-F177 VanDerWaalsContact C-N 3.27Å; F175-F177 PolarHBondContact O-N 3.41Å; F177-M180 PolarHBondContact O-N 3.39Å; F177-W198 HydrophobicContact CB-CH2 4.07Å; F177-W198 HydrophobicContact CB-CZ2 4.46Å; F177-M202 HydrophobicContact CD2-CE 3.77Å; F177-M202 HydrophobicContact CD2-SD 4.05Å; F177-M202 HydrophobicContact CE2-CE 3.84Å; F177-S211 VanDerWaalsContact CE2-CB 3.43Å; F177-M214 HydrophobicContact CD1-CB 3.95Å; F177-M214 HydrophobicContact CD1-CE 3.85Å; F177-M214 HydrophobicContact CD1-SD 4.07Å; F177-M214 HydrophobicContact CE1-CB 3.48Å; F177-M214 VanDerWaalsContact CE1-CB 3.48Å; F177-M214 VanDerWaalsContact CE1-O 3.29Å; F177-M214 WeakPolarHBondContact CE1-O 3.27Å; F177-M214 HydrophobicContact CE1-SD 4.48Å; F177-M214 HydrophobicContact CZ-CB 4.29Å; F177-T216 HydrophobicContact CD1-CG2 4.28Å; F177-T216 HydrophobicContact CE1-CG2 3.42Å; F177-T216 VanDerWaalsContact CE1-CG2 3.42Å; F177-T216 HydrophobicContact CZ-CG2 3.66Å
178Y98Very high98.1Very high7 Ų719.8 Ų19.83%0.02713%0.126CC..Hα-helixtrans-72-34.7174.5-76-47.9000113.3I11 T13 V117 I121 F175 T176 M180 A181 M214 P215 T216 F218I11-Y178 WeakPolarHBondContact CG1-OH 3.36Å; I11-Y178 WeakPolarHBondContact O-CE2 3.24Å; I11-Y178 PolarHBondContact O-OH 2.82Å; I11-Y178 VanDerWaalsContact O-OH 3.04Å; T13-Y178 HydrophobicContact CG2-CD2 3.41Å; T13-Y178 VanDerWaalsContact CG2-CD2 3.41Å; T13-Y178 HydrophobicContact CG2-CE2 3.64Å; V117-Y178 HydrophobicContact CG1-CG 4.49Å; I121-Y178 WeakPolarHBondContact CD1-O 3.33Å; F175-Y178 PolarHBondContact O-N 3.47Å; T176-Y178 VanDerWaalsContact C-N 3.35Å; T176-Y178 PolarHBondContact O-N 3.3Å; Y178-M180 PolarHBondContact O-N 2.85Å; Y178-A181 WeakPolarHBondContact O-CB 3.47Å; Y178-A181 PolarHBondContact O-N 2.89Å; Y178-M214 HydrophobicContact CD2-CE 3.9Å; Y178-M214 HydrophobicContact CE1-CB 4.42Å; Y178-M214 HydrophobicContact CE1-CE 4.38Å; Y178-M214 HydrophobicContact CE2-CE 3.33Å; Y178-P215 VanDerWaalsContact CE1-O 3.29Å; Y178-P215 WeakPolarHBondContact CE1-O 3.41Å; Y178-T216 HydrophobicContact CD1-CG2 4.46Å; Y178-F218 HydrophobicContact CE1-CE2 4.37Å; Y178-F218 HydrophobicContact CE1-CZ 4.15Å
179F98.3Very high98Very high0 Ų024.1 Ų24.10%015%0.149CC..Hα-helixtrans-56.2-39.4172.1173.6-90.9000111.7L113 I116 V117 L143 F175 T176 A181 T182 C184 L187 F188L113-F179 HydrophobicContact CD1-CB 3.82Å; L113-F179 HydrophobicContact CD1-CD1 4.28Å; L113-F179 HydrophobicContact CD1-CD2 4.01Å; L113-F179 HydrophobicContact CD1-CG 3.76Å; L113-F179 HydrophobicContact CD2-CB 3.93Å; L113-F179 HydrophobicContact CG-CB 4.01Å; L113-F179 HydrophobicContact CG-CD2 3.91Å; L113-F179 HydrophobicContact CG-CG 4.07Å; I116-F179 HydrophobicContact CB-CD2 4.38Å; I116-F179 HydrophobicContact CD1-CD2 4.36Å; I116-F179 HydrophobicContact CD1-CE2 3.83Å; I116-F179 HydrophobicContact CG2-CD2 4.1Å; I116-F179 HydrophobicContact CG2-CE2 4.07Å; V117-F179 HydrophobicContact CG2-CB 3.87Å; L143-F179 HydrophobicContact CD2-CD2 4.38Å; L143-F179 HydrophobicContact CD2-CE2 3.76Å; L143-F179 HydrophobicContact CD2-CZ 3.99Å; F175-F179 PolarHBondContact O-N 3.16Å; T176-F179 WeakPolarHBondContact O-CB 3.29Å; T176-F179 PolarHBondContact O-N 2.94Å; T176-F179 VanDerWaalsContact O-N 3.16Å; F179-A181 PolarHBondContact O-N 3.14Å; F179-T182 WeakPolarHBondContact O-CB 3.38Å; F179-T182 WeakPolarHBondContact O-CG2 3.39Å; F179-T182 PolarHBondContact O-N 3.1Å; F179-T182 PolarHBondContact O-OG1 3.46Å; F179-C184 HydrophobicContact CE2-CB 3.84Å; F179-C184 HydrophobicContact CZ-CB 3.93Å; F179-C184 VanDerWaalsContact CZ-O 3.29Å; F179-C184 WeakPolarHBondContact CZ-O 2.86Å; F179-L187 HydrophobicContact CZ-CB 4.09Å; F179-L187 HydrophobicContact CZ-CD2 4.05Å; F179-F188 HydrophobicContact CD1-CD1 4.37Å; F179-F188 AromaticContact CD1-CE1 3.85Å; F179-F188 HydrophobicContact CD1-CE1 3.85Å; F179-F188 HydrophobicContact CD1-CZ 4.39Å; F179-F188 AromaticContact CE1-CD1 3.67Å; F179-F188 HydrophobicContact CE1-CD1 3.67Å; F179-F188 AromaticContact CE1-CE1 3.46Å; F179-F188 HydrophobicContact CE1-CE1 3.46Å; F179-F188 VanDerWaalsContact CE1-CE1 3.46Å; F179-F188 HydrophobicContact CE1-CZ 4.4Å; F179-F188 HydrophobicContact CZ-CD1 4.46Å; F179-F188 HydrophobicContact CZ-CE1 4.23Å
180M97.8Very high98Very high51 Ų5127.5 Ų27.525%0.25118%0.178SC..THydrogen-bonded Turntrans-66.3-14.3176.8-65.8-69.1171.200114.1T176 F177 Y178 A185 F188 W198T176-M180 HydrophobicContact CG2-CE 4Å; T176-M180 VanDerWaalsContact O-CG 3.23Å; T176-M180 WeakPolarHBondContact O-CG 3.31Å; T176-M180 PolarHBondContact O-N 3.25Å; F177-M180 PolarHBondContact O-N 3.39Å; Y178-M180 PolarHBondContact O-N 2.85Å; M180-A185 WeakPolarHBondContact O-CB 3.49Å; M180-A185 HydrophobicContact SD-CB 4.31Å; M180-F188 HydrophobicContact CE-CB 4.06Å; M180-F188 HydrophobicContact CE-CD1 3.91Å; M180-F188 HydrophobicContact CE-CD2 3.14Å; M180-F188 HydrophobicContact CE-CE1 4.06Å; M180-F188 HydrophobicContact CE-CE2 3.3Å; M180-F188 HydrophobicContact CE-CG 3.44Å; M180-F188 VanDerWaalsContact CE-CG 3.44Å; M180-F188 HydrophobicContact CE-CZ 3.75Å; M180-W198 VanDerWaalsContact CE-CD1 3.49Å; M180-W198 HydrophobicContact CE-CD2 4.16Å; M180-W198 HydrophobicContact CE-CG 3.9Å; M180-W198 HydrophobicContact CG-CZ2 3.81Å
181A96.6Very high98Very high42 Ų4228.4 Ų28.435%0.34718%0.181SC..THydrogen-bonded Turntrans-90.4-4.6172.100000113.3I121 Y178 F179 T216I121-A181 HydrophobicContact CD1-CB 3.99Å; Y178-A181 WeakPolarHBondContact O-CB 3.47Å; Y178-A181 PolarHBondContact O-N 2.89Å; F179-A181 PolarHBondContact O-N 3.14Å; A181-T216 HydrophobicContact CB-CG2 3.75Å
182T96.7Very high98Very high9 Ų932.4 Ų32.46%0.05521%0.207CC..SBendtrans-86.3162.4178.573.40000111.6C120 I121 F179 C184 A185C120-T182 HydrophobicContact CB-CG2 3.72Å; I121-T182 HydrophobicContact CD1-CG2 3.72Å; I121-T182 HydrophobicContact CG1-CG2 4.07Å; F179-T182 WeakPolarHBondContact O-CB 3.38Å; F179-T182 WeakPolarHBondContact O-CG2 3.39Å; F179-T182 PolarHBondContact O-N 3.1Å; F179-T182 PolarHBondContact O-OG1 3.46Å; T182-C184 PolarHBondContact O-N 3.48Å; T182-C184 WeakPolarHBondContact OG1-CB 3.42Å; T182-C184 PolarHBondContact OG1-N 3.03Å; T182-C184 VanDerWaalsContact OG1-N 3.17Å; T182-A185 WeakPolarHBondContact O-CB 3.29Å; T182-A185 PolarHBondContact O-N 2.71Å
183P95.5Very high98Very high119 Ų11936.2 Ų36.277%0.77322%0.224SC*.THydrogen-bonded Turntrans-58.7-12.9169-24.435.4000114.4
184C97.5Very high98Very high20 Ų2036.2 Ų36.214%0.13522%0.224CC..THydrogen-bonded Turntrans-89.9-0.4-178.9-56.20000113.9I116 L140 F179 T182 S186 L187I116-C184 HydrophobicContact CG2-CB 4.29Å; L140-C184 HydrophobicContact CD2-CB 3.96Å; F179-C184 HydrophobicContact CE2-CB 3.84Å; F179-C184 HydrophobicContact CZ-CB 3.93Å; F179-C184 VanDerWaalsContact CZ-O 3.29Å; F179-C184 WeakPolarHBondContact CZ-O 2.86Å; T182-C184 PolarHBondContact O-N 3.48Å; T182-C184 WeakPolarHBondContact OG1-CB 3.42Å; T182-C184 PolarHBondContact OG1-N 3.03Å; T182-C184 VanDerWaalsContact OG1-N 3.17Å; C184-S186 PolarHBondContact O-N 2.86Å; C184-S186 VanDerWaalsContact O-N 3.15Å; C184-L187 VanDerWaalsContact O-CB 3.23Å; C184-L187 WeakPolarHBondContact O-CB 3.16Å; C184-L187 PolarHBondContact O-N 3.24Å
185A97.4Very high98Very high25 Ų2539.5 Ų39.521%0.20724%0.239CC..G310 helixtrans-55-35.3-173.700000113.9M180 T182 L187 F188M180-A185 WeakPolarHBondContact O-CB 3.49Å; M180-A185 HydrophobicContact SD-CB 4.31Å; T182-A185 WeakPolarHBondContact O-CB 3.29Å; T182-A185 PolarHBondContact O-N 2.71Å; A185-L187 PolarHBondContact O-N 3.33Å; A185-F188 PolarHBondContact O-N 2.83Å
186S97.8Very high98.1Very high79 Ų7942.1 Ų42.155%0.55226%0.261SS*.G310 helixtrans-65.1-8.2179.264.60000113.9C184 F188 D189C184-S186 PolarHBondContact O-N 2.86Å; C184-S186 VanDerWaalsContact O-N 3.15Å; S186-F188 PolarHBondContact O-N 3.24Å; S186-D189 WeakPolarHBondContact CA-OD2 3.28Å; S186-D189 VanDerWaalsContact O-CB 3.3Å; S186-D189 WeakPolarHBondContact O-CB 3.36Å; S186-D189 PolarHBondContact O-N 3.47Å
187L98.5Very high98.1Very high23 Ų2342.6 Ų42.612%0.1226%0.263CS..G310 helixtrans-54.1-37.2172.717862.6000111.8L140 L143 K144 L147 F179 C184 A185 D189 A190 Y191L140-L187 HydrophobicContact CD2-CD2 3.87Å; L143-L187 HydrophobicContact CB-CD2 4.47Å; L143-L187 HydrophobicContact CD2-CD2 3.72Å; L143-L187 HydrophobicContact CG-CD2 3.96Å; K144-L187 HydrophobicContact CG-CD1 3.8Å; L147-L187 HydrophobicContact CD1-CD2 3.76Å; L147-L187 HydrophobicContact CD1-CG 3.89Å; F179-L187 HydrophobicContact CZ-CB 4.09Å; F179-L187 HydrophobicContact CZ-CD2 4.05Å; C184-L187 VanDerWaalsContact O-CB 3.23Å; C184-L187 WeakPolarHBondContact O-CB 3.16Å; C184-L187 PolarHBondContact O-N 3.24Å; A185-L187 PolarHBondContact O-N 3.33Å; L187-D189 PolarHBondContact O-N 3.38Å; L187-A190 PolarHBondContact O-N 3.14Å; L187-Y191 HydrophobicContact CD1-CE2 4.02Å; L187-Y191 HydrophobicContact CG-CE2 4.25Å; L187-Y191 VanDerWaalsContact O-CD2 3.32Å; L187-Y191 WeakPolarHBondContact O-CD2 3.09Å
188F98.4Very high98.1Very high3 Ų342.2 Ų42.21%0.01326%0.261CS..G310 helixtrans-69.2-18.2-178.2-82.144.7000112.5Y109 L147 T176 F179 M180 A185 S186 A190 Y191 V194 W198Y109-F188 WeakPolarHBondContact OH-CZ 3.39Å; L147-F188 HydrophobicContact CD1-CD1 3.97Å; L147-F188 HydrophobicContact CD1-CE1 3.89Å; L147-F188 HydrophobicContact CD2-CE1 4.3Å; L147-F188 HydrophobicContact CD2-CZ 4.35Å; T176-F188 HydrophobicContact CG2-CE2 3.83Å; T176-F188 HydrophobicContact CG2-CZ 3.73Å; F179-F188 HydrophobicContact CD1-CD1 4.37Å; F179-F188 AromaticContact CD1-CE1 3.85Å; F179-F188 HydrophobicContact CD1-CE1 3.85Å; F179-F188 HydrophobicContact CD1-CZ 4.39Å; F179-F188 AromaticContact CE1-CD1 3.67Å; F179-F188 HydrophobicContact CE1-CD1 3.67Å; F179-F188 AromaticContact CE1-CE1 3.46Å; F179-F188 HydrophobicContact CE1-CE1 3.46Å; F179-F188 VanDerWaalsContact CE1-CE1 3.46Å; F179-F188 HydrophobicContact CE1-CZ 4.4Å; F179-F188 HydrophobicContact CZ-CD1 4.46Å; F179-F188 HydrophobicContact CZ-CE1 4.23Å; M180-F188 HydrophobicContact CE-CB 4.06Å; M180-F188 HydrophobicContact CE-CD1 3.91Å; M180-F188 HydrophobicContact CE-CD2 3.14Å; M180-F188 HydrophobicContact CE-CE1 4.06Å; M180-F188 HydrophobicContact CE-CE2 3.3Å; M180-F188 HydrophobicContact CE-CG 3.44Å; M180-F188 VanDerWaalsContact CE-CG 3.44Å; M180-F188 HydrophobicContact CE-CZ 3.75Å; A185-F188 PolarHBondContact O-N 2.83Å; S186-F188 PolarHBondContact O-N 3.24Å; F188-A190 PolarHBondContact O-N 3.22Å; F188-Y191 CarbonylContact O-C 3.55Å; F188-Y191 PolarHBondContact O-N 3.42Å; F188-V194 HydrophobicContact CD2-CG1 3.65Å; F188-V194 HydrophobicContact CE2-CG1 3.71Å; F188-V194 HydrophobicContact CG-CG1 4.4Å; F188-V194 HydrophobicContact CZ-CG1 4.48Å; F188-W198 HydrophobicContact CD2-CB 4.38Å; F188-W198 HydrophobicContact CE2-CB 4.44Å
189D98.4Very high98.1Very high91 Ų9147 Ų4749%0.48728%0.283SS..G310 helixtrans-65.6-22.1177.7-61.7-32.8000112.7S186 L187 Y191 K195S186-D189 WeakPolarHBondContact CA-OD2 3.28Å; S186-D189 VanDerWaalsContact O-CB 3.3Å; S186-D189 WeakPolarHBondContact O-CB 3.36Å; S186-D189 PolarHBondContact O-N 3.47Å; L187-D189 PolarHBondContact O-N 3.38Å; D189-Y191 VanDerWaalsContact C-N 3.26Å; D189-Y191 PolarHBondContact O-N 3.31Å; D189-K195 WeakPolarHBondContact OD1-CD 3.11Å; D189-K195 WeakPolarHBondContact OD1-CE 3.36Å; D189-K195 IonicContact OD1-NZ 3.14Å; D189-K195 PolarHBondContact OD1-NZ 3.18Å
190A98.6Very high98.1Very high72 Ų7248.1 Ų48.160%0.59530%0.295SS*.G310 helixtrans-77.5-9.4174.600000113.7L187 F188L187-A190 PolarHBondContact O-N 3.14Å; F188-A190 PolarHBondContact O-N 3.22Å
191Y98.8Very high98.1Very high22 Ų2245.7 Ų45.79%0.08628%0.283CS..  trans-128.279.7-173.5-54.6-79.1000109.6K144 L147 E148 E151 L187 F188 D189 H193 V194 K195K144-Y191 WeakPolarHBondContact CA-OH 3.16Å; K144-Y191 PolarHBondContact O-OH 3.24Å; L147-Y191 HydrophobicContact CB-CD1 4.04Å; L147-Y191 HydrophobicContact CB-CD2 3.82Å; L147-Y191 HydrophobicContact CB-CE1 3.85Å; L147-Y191 HydrophobicContact CB-CE2 3.63Å; L147-Y191 HydrophobicContact CB-CG 4.02Å; L147-Y191 HydrophobicContact CD1-CD2 3.73Å; L147-Y191 HydrophobicContact CD1-CE2 3.61Å; L147-Y191 HydrophobicContact CG-CD2 4.39Å; L147-Y191 HydrophobicContact CG-CE2 4.29Å; E148-Y191 HydrophobicContact CG-CE1 3.94Å; E151-Y191 HydrophobicContact CB-CD1 3.9Å; E151-Y191 HydrophobicContact CG-CD1 4.23Å; E151-Y191 WeakPolarHBondContact OE2-CA 3.22Å; E151-Y191 WeakPolarHBondContact OE2-CB 2.94Å; L187-Y191 HydrophobicContact CD1-CE2 4.02Å; L187-Y191 HydrophobicContact CG-CE2 4.25Å; L187-Y191 VanDerWaalsContact O-CD2 3.32Å; L187-Y191 WeakPolarHBondContact O-CD2 3.09Å; F188-Y191 CarbonylContact O-C 3.55Å; F188-Y191 PolarHBondContact O-N 3.42Å; D189-Y191 VanDerWaalsContact C-N 3.26Å; D189-Y191 PolarHBondContact O-N 3.31Å; Y191-H193 VanDerWaalsContact C-N 3.34Å; Y191-H193 PolarHBondContact O-N 2.85Å; Y191-V194 WeakPolarHBondContact O-CB 3.39Å; Y191-V194 PolarHBondContact O-N 3.44Å; Y191-V194 VanDerWaalsContact O-N 3.17Å; Y191-K195 PolarHBondContact O-N 3.29Å
192P98.7Very high98.2Very high83 Ų8345.9 Ų45.954%0.53928%0.277SS..Hα-helixtrans-60.8-35.1-169.321.4-33000114.5E151 K195 A196E151-P192 WeakPolarHBondContact OE1-CD 3.38Å; E151-P192 WeakPolarHBondContact OE1-CG 3.35Å; P192-K195 PolarHBondContact O-N 2.97Å; P192-A196 WeakPolarHBondContact O-CB 3.34Å; P192-A196 PolarHBondContact O-N 2.8Å
193H98.8Very high98.3Very high81 Ų8148.6 Ų48.638%0.37530%0.296SS..Hα-helixtrans-72.6-38.7176.7-58.293.1000111.4E151 L154 Y191 A196 W197E151-H193 IonicContact OE1-CE1 3.21Å; E151-H193 IonicContact OE1-CG 2.72Å; E151-H193 PolarHBondContact OE1-N 2.88Å; E151-H193 IonicContact OE1-ND1 3.75Å; E151-H193 PolarHBondContact OE1-ND1 3.4Å; E151-H193 WeakPolarHBondContact OE2-CA 3.44Å; E151-H193 WeakPolarHBondContact OE2-CB 3.2Å; E151-H193 PolarHBondContact OE2-N 3.39Å; E151-H193 IonicContact OE2-ND1 3.09Å; L154-H193 HydrophobicContact CB-CB 3.79Å; Y191-H193 VanDerWaalsContact C-N 3.34Å; Y191-H193 PolarHBondContact O-N 2.85Å; H193-A196 PolarHBondContact O-N 3.24Å; H193-W197 WeakPolarHBondContact O-CB 3.37Å; H193-W197 PolarHBondContact O-N 3.16Å
194V98.9Very high98.4Very high0 Ų045.9 Ų45.90%027%0.271CS..Hα-helixtrans-60.2-46.5171179.20000110.7L147 E151 L154 F188 Y191 W197 W198L147-V194 HydrophobicContact CD2-CG1 4.06Å; E151-V194 HydrophobicContact CB-CG2 4.14Å; E151-V194 PolarHBondContact OE2-N 3.14Å; L154-V194 HydrophobicContact CD1-CB 4.42Å; L154-V194 HydrophobicContact CD1-CG2 4.06Å; F188-V194 HydrophobicContact CD2-CG1 3.65Å; F188-V194 HydrophobicContact CE2-CG1 3.71Å; F188-V194 HydrophobicContact CG-CG1 4.4Å; F188-V194 HydrophobicContact CZ-CG1 4.48Å; Y191-V194 WeakPolarHBondContact O-CB 3.39Å; Y191-V194 PolarHBondContact O-N 3.44Å; Y191-V194 VanDerWaalsContact O-N 3.17Å; V194-W197 HydrophobicContact CG1-CE3 4.33Å; V194-W197 PolarHBondContact O-N 3.03Å; V194-W198 WeakPolarHBondContact O-CB 3.4Å; V194-W198 PolarHBondContact O-N 3.19Å
195K98.7Very high98.5Very high70 Ų7050 Ų5030%0.30430%0.297SS..Hα-helixtrans-61.4-46.4179.4-176.3172.1177174.90111.5D189 Y191 P192 W197 W198 E199D189-K195 WeakPolarHBondContact OD1-CD 3.11Å; D189-K195 WeakPolarHBondContact OD1-CE 3.36Å; D189-K195 IonicContact OD1-NZ 3.14Å; D189-K195 PolarHBondContact OD1-NZ 3.18Å; Y191-K195 PolarHBondContact O-N 3.29Å; P192-K195 PolarHBondContact O-N 2.97Å; K195-W197 PolarHBondContact O-N 2.88Å; K195-W198 WeakPolarHBondContact O-CB 3.45Å; K195-W198 PolarHBondContact O-N 2.68Å; K195-E199 WeakPolarHBondContact CE-OE1 3.47Å; K195-E199 WeakPolarHBondContact O-CG 3.23Å; K195-E199 PolarHBondContact O-N 2.96Å
196A98.6Very high98.5Very high59 Ų5949.2 Ų49.249%0.48829%0.29SS..Hα-helixtrans-62.2-41.1177.100000112.4P192 H193 G200P192-A196 WeakPolarHBondContact O-CB 3.34Å; P192-A196 PolarHBondContact O-N 2.8Å; H193-A196 PolarHBondContact O-N 3.24Å; A196-G200 PolarHBondContact O-N 3.15Å
197W98.8Very high98.5Very high10 Ų1045.4 Ų45.44%0.03826%0.264CS..Hα-helixtrans-60.6-46.4173.2164.385.4000111.6L154 Y159 L160 D169 H172 H193 V194 K195 G200 L201L154-W197 HydrophobicContact CD1-CB 3.73Å; L154-W197 HydrophobicContact CD1-CD2 4.05Å; L154-W197 HydrophobicContact CD1-CE3 4.3Å; L154-W197 HydrophobicContact CD1-CG 3.81Å; L154-W197 HydrophobicContact CD2-CB 4.07Å; L154-W197 HydrophobicContact CD2-CG 3.92Å; L154-W197 HydrophobicContact CG-CB 4.47Å; Y159-W197 AromaticContact CD1-CD1 3.98Å; L160-W197 HydrophobicContact CD1-CZ2 3.85Å; L160-W197 HydrophobicContact CG-CZ2 4.28Å; D169-W197 HydrophobicContact CB-CZ2 4.3Å; D169-W197 PolarHBondContact OD1-NE1 2.67Å; H172-W197 HydrophobicContact CB-CH2 3.62Å; H172-W197 HydrophobicContact CB-CZ2 4.2Å; H172-W197 AromaticContact CG-CH2 3.67Å; H193-W197 WeakPolarHBondContact O-CB 3.37Å; H193-W197 PolarHBondContact O-N 3.16Å; V194-W197 HydrophobicContact CG1-CE3 4.33Å; V194-W197 PolarHBondContact O-N 3.03Å; K195-W197 PolarHBondContact O-N 2.88Å; W197-G200 WeakPolarHBondContact O-CA 3.44Å; W197-G200 PolarHBondContact O-N 3.32Å; W197-L201 HydrophobicContact CD2-CD1 4.18Å; W197-L201 HydrophobicContact CH2-CD1 3.92Å; W197-L201 HydrophobicContact CZ2-CD1 3.45Å; W197-L201 VanDerWaalsContact CZ2-CD1 3.45Å; W197-L201 HydrophobicContact CZ3-CD1 4.45Å; W197-L201 PolarHBondContact O-N 3.04Å
198W98.8Very high98.5Very high21 Ų2149.9 Ų49.98%0.0828%0.282CS..Hα-helixtrans-61.2-46.7177.9173.1-112.7000112.4F173 T176 F177 M180 F188 V194 K195 G200 L201 M202F173-W198 HydrophobicContact CD2-CH2 4.05Å; F173-W198 HydrophobicContact CD2-CZ3 4.44Å; T176-W198 HydrophobicContact CG2-CD2 3.89Å; T176-W198 HydrophobicContact CG2-CE3 3.58Å; T176-W198 HydrophobicContact CG2-CH2 3.82Å; T176-W198 HydrophobicContact CG2-CZ2 4.1Å; T176-W198 HydrophobicContact CG2-CZ3 3.55Å; F177-W198 HydrophobicContact CB-CH2 4.07Å; F177-W198 HydrophobicContact CB-CZ2 4.46Å; M180-W198 VanDerWaalsContact CE-CD1 3.49Å; M180-W198 HydrophobicContact CE-CD2 4.16Å; M180-W198 HydrophobicContact CE-CG 3.9Å; M180-W198 HydrophobicContact CG-CZ2 3.81Å; F188-W198 HydrophobicContact CD2-CB 4.38Å; F188-W198 HydrophobicContact CE2-CB 4.44Å; V194-W198 WeakPolarHBondContact O-CB 3.4Å; V194-W198 PolarHBondContact O-N 3.19Å; K195-W198 WeakPolarHBondContact O-CB 3.45Å; K195-W198 PolarHBondContact O-N 2.68Å; W198-G200 VanDerWaalsContact C-N 3.27Å; W198-G200 PolarHBondContact O-N 3.17Å; W198-L201 HydrophobicContact CE3-CD1 4.47Å; W198-L201 WeakPolarHBondContact O-CB 3.49Å; W198-L201 PolarHBondContact O-N 2.67Å; W198-L201 VanDerWaalsContact O-N 3.15Å; W198-M202 HydrophobicContact CD2-CG 4.04Å; W198-M202 VanDerWaalsContact CE2-CG 3.48Å; W198-M202 HydrophobicContact CE3-CG 4.5Å; W198-M202 HydrophobicContact CH2-CG 4.02Å; W198-M202 HydrophobicContact CH2-SD 3.61Å; W198-M202 HydrophobicContact CZ2-CG 3.49Å; W198-M202 VanDerWaalsContact CZ2-CG 3.49Å; W198-M202 HydrophobicContact CZ2-SD 3.44Å; W198-M202 WeakPolarHBondContact CZ2-SD 3.34Å; W198-M202 HydrophobicContact CZ3-CG 4.48Å; W198-M202 HydrophobicContact CZ3-SD 4.39Å; W198-M202 PolarHBondContact O-N 3.4Å
199E98.5Very high98.5Very high107 Ų10755.1 Ų55.150%0.531%0.305SS..Hα-helixtrans-61.4-38.5175.3-71.7175.117700111.4K195 L201 M202 S203K195-E199 WeakPolarHBondContact CE-OE1 3.47Å; K195-E199 WeakPolarHBondContact O-CG 3.23Å; K195-E199 PolarHBondContact O-N 2.96Å; E199-L201 PolarHBondContact O-N 3.42Å; E199-M202 PolarHBondContact O-N 3Å; E199-S203 WeakPolarHBondContact O-CB 3.37Å; E199-S203 PolarHBondContact O-N 3.23Å
200G98.4Very high98.5Very high24 Ų2450.9 Ų50.925%0.24728%0.282CS..Hα-helixtrans-57.7-45.4171.800000112.8A196 W197 W198 S203A196-G200 PolarHBondContact O-N 3.15Å; W197-G200 WeakPolarHBondContact O-CA 3.44Å; W197-G200 PolarHBondContact O-N 3.32Å; W198-G200 VanDerWaalsContact C-N 3.27Å; W198-G200 PolarHBondContact O-N 3.17Å; G200-S203 PolarHBondContact O-N 3.31Å; G200-S203 PolarHBondContact O-OG 3.26Å
201L98.7Very high98.4Very high0 Ų048.3 Ų48.30%026%0.26CS..Hα-helixtrans-64-48.3174.1-67.9-176.5000111.8Y159 L165 D169 W197 W198 E199 S203 R204 I207Y159-L201 HydrophobicContact CE1-CD2 4.42Å; L165-L201 HydrophobicContact CD1-CD2 3.5Å; D169-L201 HydrophobicContact CB-CD1 4.36Å; D169-L201 HydrophobicContact CB-CD2 4.01Å; D169-L201 WeakPolarHBondContact O-CD1 3.4Å; W197-L201 HydrophobicContact CD2-CD1 4.18Å; W197-L201 HydrophobicContact CH2-CD1 3.92Å; W197-L201 HydrophobicContact CZ2-CD1 3.45Å; W197-L201 VanDerWaalsContact CZ2-CD1 3.45Å; W197-L201 HydrophobicContact CZ3-CD1 4.45Å; W197-L201 PolarHBondContact O-N 3.04Å; W198-L201 HydrophobicContact CE3-CD1 4.47Å; W198-L201 WeakPolarHBondContact O-CB 3.49Å; W198-L201 PolarHBondContact O-N 2.67Å; W198-L201 VanDerWaalsContact O-N 3.15Å; E199-L201 PolarHBondContact O-N 3.42Å; L201-S203 PolarHBondContact O-N 2.9Å; L201-S203 VanDerWaalsContact O-N 3.15Å; L201-R204 VanDerWaalsContact O-CB 3.31Å; L201-R204 WeakPolarHBondContact O-CB 3.29Å; L201-R204 VanDerWaalsContact O-CG 3.3Å; L201-R204 WeakPolarHBondContact O-CG 3.23Å; L201-R204 PolarHBondContact O-N 3.05Å; L201-I207 HydrophobicContact CB-CD1 3.9Å; L201-I207 HydrophobicContact CD2-CD1 4.48Å; L201-I207 VanDerWaalsContact O-CD1 3.26Å; L201-I207 WeakPolarHBondContact O-CD1 3.28Å
202M98.4Very high98.3Very high45 Ų4551.1 Ų51.122%0.22229%0.288CS..Hα-helixtrans-63.9-20.1178.8-71.9-56.7-59.600113.5F173 F177 W198 E199 R204 I207 K208F173-M202 HydrophobicContact CD2-SD 4.09Å; F173-M202 HydrophobicContact CE2-SD 4.01Å; F177-M202 HydrophobicContact CD2-CE 3.77Å; F177-M202 HydrophobicContact CD2-SD 4.05Å; F177-M202 HydrophobicContact CE2-CE 3.84Å; W198-M202 HydrophobicContact CD2-CG 4.04Å; W198-M202 VanDerWaalsContact CE2-CG 3.48Å; W198-M202 HydrophobicContact CE3-CG 4.5Å; W198-M202 HydrophobicContact CH2-CG 4.02Å; W198-M202 HydrophobicContact CH2-SD 3.61Å; W198-M202 HydrophobicContact CZ2-CG 3.49Å; W198-M202 VanDerWaalsContact CZ2-CG 3.49Å; W198-M202 HydrophobicContact CZ2-SD 3.44Å; W198-M202 WeakPolarHBondContact CZ2-SD 3.34Å; W198-M202 HydrophobicContact CZ3-CG 4.48Å; W198-M202 HydrophobicContact CZ3-SD 4.39Å; W198-M202 PolarHBondContact O-N 3.4Å; E199-M202 PolarHBondContact O-N 3Å; M202-R204 VanDerWaalsContact C-N 3.28Å; M202-R204 PolarHBondContact O-N 3.45Å; M202-I207 HydrophobicContact CE-CG2 4.23Å; M202-I207 HydrophobicContact SD-CG2 3.61Å; M202-K208 WeakPolarHBondContact O-CE 3.32Å; M202-K208 WeakPolarHBondContact O-CG 3.31Å
203S98.2Very high98Very high66 Ų6652 Ų5246%0.46229%0.288SS..THydrogen-bonded Turntrans-73.2-19175.580.90000113.7E199 G200 L201 K208E199-S203 WeakPolarHBondContact O-CB 3.37Å; E199-S203 PolarHBondContact O-N 3.23Å; G200-S203 PolarHBondContact O-N 3.31Å; G200-S203 PolarHBondContact O-OG 3.26Å; L201-S203 PolarHBondContact O-N 2.9Å; L201-S203 VanDerWaalsContact O-N 3.15Å; S203-K208 VanDerWaalsContact O-CE 3.32Å; S203-K208 WeakPolarHBondContact O-CE 3.48Å; S203-K208 PolarHBondContact O-NZ 3Å
204R98.2Very high97.8Very high63 Ų6348.3 Ų48.324%0.23827%0.271CS..SBendtrans-69.2138.4-172.5-61.7-170.765.573.5-1.1112.2E24 L201 M202 S206 I207 K208E24-R204 IonicContact OE1-CZ 2.71Å; E24-R204 IonicContact OE1-NE 2.68Å; E24-R204 PolarHBondContact OE1-NE 3.47Å; E24-R204 IonicContact OE1-NH2 3.91Å; E24-R204 PolarHBondContact OE1-NH2 3Å; E24-R204 IonicContact OE2-CZ 3.15Å; E24-R204 IonicContact OE2-NE 3.66Å; E24-R204 IonicContact OE2-NH2 2.74Å; E24-R204 PolarHBondContact OE2-NH2 2.87Å; L201-R204 VanDerWaalsContact O-CB 3.31Å; L201-R204 WeakPolarHBondContact O-CB 3.29Å; L201-R204 VanDerWaalsContact O-CG 3.3Å; L201-R204 WeakPolarHBondContact O-CG 3.23Å; L201-R204 PolarHBondContact O-N 3.05Å; M202-R204 VanDerWaalsContact C-N 3.28Å; M202-R204 PolarHBondContact O-N 3.45Å; R204-S206 VanDerWaalsContact C-N 3.34Å; R204-S206 PolarHBondContact O-N 3.34Å; R204-I207 HydrophobicContact CB-CB 4.27Å; R204-I207 PolarHBondContact O-N 2.69Å; R204-K208 WeakPolarHBondContact O-CB 3.21Å; R204-K208 WeakPolarHBondContact O-CG 3.49Å; R204-K208 PolarHBondContact O-N 3.16Å
205P98.5Very high97.3Very high106 Ų10651.1 Ų51.169%0.68829%0.289SS*.Hα-helixtrans-57.8-41.9179.9-26.635.2000114.1K208 K209P205-K208 PolarHBondContact O-N 3.23Å; P205-K209 WeakPolarHBondContact O-CB 3.21Å; P205-K209 PolarHBondContact O-N 3.29Å
206S98Very high96.6Very high8 Ų850.7 Ų50.76%0.05629%0.292CS..Hα-helixtrans-56.1-54.2175.550.40000111.5E24 R204 K208 K209 I210E24-S206 WeakPolarHBondContact OE1-CB 3.32Å; E24-S206 PolarHBondContact OE1-OG 3.03Å; R204-S206 VanDerWaalsContact C-N 3.34Å; R204-S206 PolarHBondContact O-N 3.34Å; S206-K208 PolarHBondContact O-N 3.45Å; S206-K209 PolarHBondContact O-N 2.78Å; S206-I210 WeakPolarHBondContact O-CG1 3.26Å; S206-I210 PolarHBondContact O-N 3.12Å
207I98.3Very high95.5Very high0 Ų056.9 Ų56.90%031%0.308CS..Hα-helixtrans-64.1-42.2179.8-74.4175.6000111.2V20 L170 F173 L201 M202 R204 K209 I210 S211V20-I207 HydrophobicContact CG1-CG1 4.03Å; V20-I207 HydrophobicContact CG2-CG1 4.23Å; L170-I207 HydrophobicContact CD2-CD1 4.06Å; F173-I207 HydrophobicContact CB-CD1 4.17Å; F173-I207 HydrophobicContact CD1-CG1 4.48Å; F173-I207 HydrophobicContact CD2-CB 4.49Å; F173-I207 HydrophobicContact CD2-CD1 4.34Å; F173-I207 HydrophobicContact CD2-CG1 4.24Å; F173-I207 HydrophobicContact CD2-CG2 3.57Å; F173-I207 HydrophobicContact CE2-CG2 3.5Å; F173-I207 HydrophobicContact CG-CD1 4.23Å; F173-I207 HydrophobicContact CG-CG1 4.15Å; F173-I207 HydrophobicContact CG-CG2 4.32Å; F173-I207 HydrophobicContact CZ-CG2 4.17Å; L201-I207 HydrophobicContact CB-CD1 3.9Å; L201-I207 HydrophobicContact CD2-CD1 4.48Å; L201-I207 VanDerWaalsContact O-CD1 3.26Å; L201-I207 WeakPolarHBondContact O-CD1 3.28Å; M202-I207 HydrophobicContact CE-CG2 4.23Å; M202-I207 HydrophobicContact SD-CG2 3.61Å; R204-I207 HydrophobicContact CB-CB 4.27Å; R204-I207 PolarHBondContact O-N 2.69Å; I207-K209 VanDerWaalsContact C-N 3.34Å; I207-K209 PolarHBondContact O-N 3.37Å; I207-I210 PolarHBondContact O-N 3.01Å; I207-S211 WeakPolarHBondContact O-CB 3.38Å; I207-S211 PolarHBondContact O-N 2.86Å; I207-S211 PolarHBondContact O-OG 3.15Å
208K98.3Very high94Very high117 Ų11763 Ų6351%0.50934%0.335SS..Hα-helixtrans-58.7-43.9174.2-76.4175.4172.8160.70112.3M202 S203 R204 P205 S206 S211 A212M202-K208 WeakPolarHBondContact O-CE 3.32Å; M202-K208 WeakPolarHBondContact O-CG 3.31Å; S203-K208 VanDerWaalsContact O-CE 3.32Å; S203-K208 WeakPolarHBondContact O-CE 3.48Å; S203-K208 PolarHBondContact O-NZ 3Å; R204-K208 WeakPolarHBondContact O-CB 3.21Å; R204-K208 WeakPolarHBondContact O-CG 3.49Å; R204-K208 PolarHBondContact O-N 3.16Å; P205-K208 PolarHBondContact O-N 3.23Å; S206-K208 PolarHBondContact O-N 3.45Å; K208-S211 WeakPolarHBondContact CA-OG 3.3Å; K208-S211 PolarHBondContact O-OG 3.31Å; K208-A212 PolarHBondContact O-N 3.44Å
209K97.9Very high93.7Very high112 Ų11265.1 Ų65.149%0.48735%0.348SS..Hα-helixtrans-65.9-43.8179.7-175.1175.6172.4-166.50111.9E23 P205 S206 I207 N213E23-K209 HydrophobicContact CG-CD 4.41Å; E23-K209 WeakPolarHBondContact OE1-CE 3.4Å; E23-K209 IonicContact OE1-NZ 3.42Å; E23-K209 PolarHBondContact OE1-NZ 3.27Å; E23-K209 WeakPolarHBondContact OE2-CD 3.38Å; E23-K209 IonicContact OE2-NZ 3.75Å; E23-K209 PolarHBondContact OE2-NZ 2.74Å; P205-K209 WeakPolarHBondContact O-CB 3.21Å; P205-K209 PolarHBondContact O-N 3.29Å; S206-K209 PolarHBondContact O-N 2.78Å; I207-K209 VanDerWaalsContact C-N 3.34Å; I207-K209 PolarHBondContact O-N 3.37Å; K209-N213 PolarHBondContact O-ND2 2.98Å; K209-N213 VanDerWaalsContact O-ND2 3.09Å
210I97.8Very high93.5Very high3 Ų362.8 Ų62.82%0.01534%0.34CS..Hα-helixtrans-72.5-44.9179.7-60.7-47.2000111.7S16 L19 V20 E23 F173 S206 I207 A212 N213 M214S16-I210 WeakPolarHBondContact OG-CG2 3.39Å; L19-I210 HydrophobicContact CB-CD1 3.56Å; L19-I210 HydrophobicContact CB-CG1 4.02Å; L19-I210 HydrophobicContact CB-CG2 4.34Å; L19-I210 HydrophobicContact CD1-CD1 4.37Å; V20-I210 HydrophobicContact CG2-CB 3.81Å; V20-I210 HydrophobicContact CG2-CG1 3.7Å; V20-I210 HydrophobicContact CG2-CG2 4.01Å; E23-I210 HydrophobicContact CG-CD1 3.75Å; E23-I210 HydrophobicContact CG-CG1 4.09Å; F173-I210 HydrophobicContact CE1-CB 4.43Å; F173-I210 HydrophobicContact CE1-CG2 4.04Å; F173-I210 HydrophobicContact CZ-CG2 4.48Å; S206-I210 WeakPolarHBondContact O-CG1 3.26Å; S206-I210 PolarHBondContact O-N 3.12Å; I207-I210 PolarHBondContact O-N 3.01Å; I210-A212 PolarHBondContact O-N 3.4Å; I210-N213 PolarHBondContact O-N 3.13Å; I210-M214 HydrophobicContact CG2-SD 4.34Å
211S96.8Very high93.2Very high17 Ų1765 Ų6512%0.11935%0.345CS..Hα-helixtrans-61.7-28.6179.957.30000113.4F177 I207 K208 N213 M214F177-S211 VanDerWaalsContact CE2-CB 3.43Å; I207-S211 WeakPolarHBondContact O-CB 3.38Å; I207-S211 PolarHBondContact O-N 2.86Å; I207-S211 PolarHBondContact O-OG 3.15Å; K208-S211 WeakPolarHBondContact CA-OG 3.3Å; K208-S211 PolarHBondContact O-OG 3.31Å; S211-N213 PolarHBondContact O-N 3.18Å; S211-N213 VanDerWaalsContact O-N 3.15Å; S211-M214 PolarHBondContact O-N 3.29Å
212A96.1Very high92.9Very high82 Ų8268.8 Ų68.868%0.67837%0.365SS*.THydrogen-bonded Turntrans-59.9-22.9172.200000113.4K208 I210K208-A212 PolarHBondContact O-N 3.44Å; I210-A212 PolarHBondContact O-N 3.4Å
213N93.6Very high92.6Very high101 Ų10170.3 Ų70.354%0.5437%0.374SS..THydrogen-bonded Turntrans-101.29.7177.4-61.8-70.1000113.1A10 K209 I210 S211 P215A10-N213 HydrophobicContact CB-CB 3.88Å; K209-N213 PolarHBondContact O-ND2 2.98Å; K209-N213 VanDerWaalsContact O-ND2 3.09Å; I210-N213 PolarHBondContact O-N 3.13Å; S211-N213 PolarHBondContact O-N 3.18Å; S211-N213 VanDerWaalsContact O-N 3.15Å; N213-P215 WeakPolarHBondContact O-CD 3.45Å
214M94.3Very high92.2Very high4 Ų470.6 Ų70.62%0.0237%0.369CS..SBendtrans-111.489175.9-65.8-179.172.100108.8S16 F173 P174 F177 Y178 I210 S211 T216S16-M214 PolarHBondContact OG-SD 2.93Å; F173-M214 HydrophobicContact CE1-SD 3.85Å; F173-M214 HydrophobicContact CZ-SD 3.64Å; P174-M214 HydrophobicContact CB-CE 4.39Å; F177-M214 HydrophobicContact CD1-CB 3.95Å; F177-M214 HydrophobicContact CD1-CE 3.85Å; F177-M214 HydrophobicContact CD1-SD 4.07Å; F177-M214 HydrophobicContact CE1-CB 3.48Å; F177-M214 VanDerWaalsContact CE1-CB 3.48Å; F177-M214 VanDerWaalsContact CE1-O 3.29Å; F177-M214 WeakPolarHBondContact CE1-O 3.27Å; F177-M214 HydrophobicContact CE1-SD 4.48Å; F177-M214 HydrophobicContact CZ-CB 4.29Å; Y178-M214 HydrophobicContact CD2-CE 3.9Å; Y178-M214 HydrophobicContact CE1-CB 4.42Å; Y178-M214 HydrophobicContact CE1-CE 4.38Å; Y178-M214 HydrophobicContact CE2-CE 3.33Å; I210-M214 HydrophobicContact CG2-SD 4.34Å; S211-M214 PolarHBondContact O-N 3.29Å; M214-T216 PolarHBondContact O-N 3.23Å
215P88.5Confident91.8Very high59 Ų5971.1 Ų71.138%0.38338%0.378SS..  trans-62.2135.6-178.725.1-33.5000110.5I11 Y178 N213 F218I11-P215 HydrophobicContact CD1-CG 4.14Å; I11-P215 HydrophobicContact CG1-CG 4.26Å; Y178-P215 VanDerWaalsContact CE1-O 3.29Å; Y178-P215 WeakPolarHBondContact CE1-O 3.41Å; N213-P215 WeakPolarHBondContact O-CD 3.45Å; P215-F218 HydrophobicContact CB-CE1 4.26Å; P215-F218 HydrophobicContact CG-CE1 3.78Å; P215-F218 HydrophobicContact CG-CZ 4.23Å; P215-F218 WeakPolarHBondContact O-CE2 3.41Å; P215-F218 WeakPolarHBondContact O-CZ 3.4Å
216T83.4Confident91.2Very high60 Ų6068.5 Ų68.537%0.36835%0.354SS..SBendtrans-107.4-9.5177.852.90000113.3F177 Y178 A181 M214F177-T216 HydrophobicContact CD1-CG2 4.28Å; F177-T216 HydrophobicContact CE1-CG2 3.42Å; F177-T216 VanDerWaalsContact CE1-CG2 3.42Å; F177-T216 HydrophobicContact CZ-CG2 3.66Å; Y178-T216 HydrophobicContact CD1-CG2 4.46Å; A181-T216 HydrophobicContact CB-CG2 3.75Å; M214-T216 PolarHBondContact O-N 3.23Å
217K75.8Confident90.7Very high190 Ų19073.5 Ų73.583%0.82638%0.379SS*.  trans-110.1126.9171-63.5-177.4-178.8-178.80107.1
218F67.4Low90Very high137 Ų13780.2 Ų80.260%0.60141%0.413SS*.  trans-1280-175.8-62.3-83.1000109.8I11 I121 I125 Y178 P215I11-F218 HydrophobicContact CD1-CE1 3.55Å; I11-F218 HydrophobicContact CD1-CZ 4.15Å; I11-F218 HydrophobicContact CG1-CE1 4.25Å; I11-F218 HydrophobicContact CG1-CZ 4.39Å; I121-F218 HydrophobicContact CG2-CD2 4.12Å; I121-F218 HydrophobicContact CG2-CE2 3.63Å; I121-F218 HydrophobicContact CG2-CZ 4.43Å; I125-F218 HydrophobicContact CD1-CB 3.49Å; I125-F218 VanDerWaalsContact CD1-CB 3.49Å; I125-F218 HydrophobicContact CD1-CD1 3.7Å; I125-F218 HydrophobicContact CD1-CD2 3.06Å; I125-F218 HydrophobicContact CD1-CE1 4.08Å; I125-F218 HydrophobicContact CD1-CE2 3.46Å; I125-F218 VanDerWaalsContact CD1-CE2 3.46Å; I125-F218 HydrophobicContact CD1-CG 3.13Å; I125-F218 HydrophobicContact CD1-CZ 3.94Å; I125-F218 HydrophobicContact CG1-CB 3.51Å; I125-F218 HydrophobicContact CG1-CD1 4.36Å; I125-F218 HydrophobicContact CG1-CD2 4.08Å; I125-F218 HydrophobicContact CG1-CG 3.77Å; I125-F218 HydrophobicContact CG2-CB 4.35Å; I125-F218 HydrophobicContact CG2-CD1 4.25Å; I125-F218 HydrophobicContact CG2-CG 4.45Å; Y178-F218 HydrophobicContact CE1-CE2 4.37Å; Y178-F218 HydrophobicContact CE1-CZ 4.15Å; P215-F218 HydrophobicContact CB-CE1 4.26Å; P215-F218 HydrophobicContact CG-CE1 3.78Å; P215-F218 HydrophobicContact CG-CZ 4.23Å; P215-F218 WeakPolarHBondContact O-CE2 3.41Å; P215-F218 WeakPolarHBondContact O-CZ 3.4Å

Retrieved 218 of 218 residues in 1059 ms (Link to these results)

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