Q9AS47_ORYSJ Loading...

glutathione transferase

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

AlphaFold DB , UniProt , Accession Q9AS47, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 216 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
1M69Low93Very high219 Ų21953.6 Ų53.6100%1.07931%0.313SS*.  0157.10-82.4-174.6-97.200107.5
2A87.6Confident93.2Very high87 Ų8751 Ų5172%0.71930%0.299SS*.PPolyproline II helixtrans-61.6144.4172.800000109.6
3P95.6Very high93.5Very high55 Ų5548.7 Ų48.736%0.35729%0.286SS..PPolyproline II helixtrans-61.7148.5175.326.6-34.1000110.3E28P3-E28 HydrophobicContact CB-CB 4.16Å
4A97.9Very high93.8Very high8 Ų848.6 Ų48.67%0.06628%0.284CS..EExtended strand (participates in β ladder)trans-66.1148.7173.500000110.2E28 Y29 E30 F58 E59 D60A4-E28 PolarHBondContact N-O 3.29Å; A4-Y29 CarbonylContact O-C 3.58Å; A4-Y29 WeakPolarHBondContact O-CA 3.22Å; A4-Y29 WeakPolarHBondContact O-CB 3.36Å; A4-E30 PolarHBondContact O-N 3.2Å; A4-F58 HydrophobicContact CB-CE2 3.62Å; A4-F58 HydrophobicContact CB-CZ 3.55Å; A4-E59 CarbonylContact C-O 3.59Å; A4-E59 WeakPolarHBondContact CA-O 3.34Å; A4-D60 HydrophobicContact CB-CB 4.5Å
5K98.7Very high94.1Very high76 Ų7645.3 Ų45.333%0.3327%0.265SS..EExtended strand (participates in β ladder)trans-109.4130.3-178.9-66.5-179.1176.3-176.40111.1Y7 E30 V32 F58 E59K5-Y7 HydrophobicContact CB-CD2 4.42Å; K5-Y7 HydrophobicContact CB-CE2 3.72Å; K5-Y7 WeakPolarHBondContact CD-OH 3.44Å; K5-E30 CarbonylContact C-O 3.43Å; K5-E30 WeakPolarHBondContact CA-O 3.32Å; K5-E30 WeakPolarHBondContact CE-OE2 3.4Å; K5-E30 HydrophobicContact CG-CB 4.4Å; K5-V32 HydrophobicContact CB-CG2 4.2Å; K5-V32 HydrophobicContact CD-CG2 4.2Å; K5-V32 HydrophobicContact CG-CG2 4.28Å; K5-F58 CarbonylContact O-C 3.48Å; K5-F58 VanDerWaalsContact O-CA 3.26Å; K5-F58 WeakPolarHBondContact O-CA 3.5Å; K5-E59 HydrophobicContact CB-CB 4.34Å; K5-E59 PolarHBondContact N-O 2.88Å; K5-E59 PolarHBondContact O-N 2.52Å
6V98.7Very high94.3Very high0 Ų042.5 Ų42.50%025%0.248CC..EExtended strand (participates in β ladder)trans-110.9113.2174.6-172.10000108.4V15 I18 L19 L22 E30 V31 V32 P56 F58V6-V15 HydrophobicContact CG1-CG1 3.96Å; V6-I18 HydrophobicContact CG1-CD1 4.4Å; V6-I18 HydrophobicContact CG1-CG2 4.23Å; V6-I18 HydrophobicContact CG2-CG2 3.91Å; V6-L19 HydrophobicContact CB-CD2 4.26Å; V6-L19 HydrophobicContact CG1-CD2 4.17Å; V6-L19 HydrophobicContact CG2-CD2 4.01Å; V6-L22 HydrophobicContact CG2-CD1 3.63Å; V6-E30 PolarHBondContact N-O 3.3Å; V6-V31 CarbonylContact O-C 3.56Å; V6-V31 WeakPolarHBondContact O-CA 3.48Å; V6-V32 PolarHBondContact O-N 3.02Å; V6-P56 HydrophobicContact CG1-CB 4.44Å; V6-F58 HydrophobicContact CG2-CD2 4.08Å; V6-F58 HydrophobicContact CG2-CE2 4.41Å
7Y98.6Very high94.6Very high10 Ų1040.1 Ų40.14%0.03923%0.234CC..EExtended strand (participates in β ladder)trans-93.2111.7-177.3-66.1-88.8000110.9K5 V32 R49 P56 A57 E59K5-Y7 HydrophobicContact CB-CD2 4.42Å; K5-Y7 HydrophobicContact CB-CE2 3.72Å; K5-Y7 WeakPolarHBondContact CD-OH 3.44Å; Y7-V32 WeakPolarHBondContact CA-O 3.35Å; Y7-V32 HydrophobicContact CD1-CB 3.61Å; Y7-V32 HydrophobicContact CD1-CG1 3.71Å; Y7-V32 HydrophobicContact CD1-CG2 4.24Å; Y7-V32 HydrophobicContact CE1-CB 3.73Å; Y7-V32 HydrophobicContact CE1-CG1 3.66Å; Y7-V32 HydrophobicContact CE1-CG2 3.92Å; Y7-V32 HydrophobicContact CG-CB 4.34Å; Y7-R49 VanDerWaalsContact CZ-CZ 3.48Å; Y7-R49 VanDerWaalsContact CZ-NE 3.27Å; Y7-R49 PolarHBondContact OH-NH2 3.09Å; Y7-P56 VanDerWaalsContact O-CA 3.28Å; Y7-P56 WeakPolarHBondContact O-CA 3.38Å; Y7-A57 HydrophobicContact CD2-CB 4.42Å; Y7-A57 PolarHBondContact N-O 2.93Å; Y7-A57 PolarHBondContact O-N 3.35Å; Y7-A57 VanDerWaalsContact O-N 3.15Å; Y7-E59 HydrophobicContact CE2-CB 4.02Å; Y7-E59 VanDerWaalsContact CE2-CD 3.41Å; Y7-E59 HydrophobicContact CE2-CG 3.69Å; Y7-E59 WeakPolarHBondContact CE2-OE2 3.45Å; Y7-E59 PolarHBondContact OH-OE1 3.24Å; Y7-E59 PolarHBondContact OH-OE2 3.31Å
8G97.7Very high94.8Very high0 Ų037.8 Ų37.80%022%0.221CC..SBendtrans154165.2176.900000112.8A10 V31 V32G8-A10 PolarHBondContact O-N 3.3Å; G8-V31 WeakPolarHBondContact O-CG1 3.47Å; G8-V32 PolarHBondContact N-O 3.35Å
9P94.1Very high95Very high36 Ų3636.3 Ų36.323%0.23421%0.212CC..  trans-67.1133.2172.829.3-32.9000109.8M11 S12 V15 M36P9-M11 HydrophobicContact CB-CG 4.26Å; P9-M11 PolarHBondContact O-N 2.81Å; P9-S12 WeakPolarHBondContact O-CB 3.48Å; P9-S12 PolarHBondContact O-N 3.06Å; P9-V15 WeakPolarHBondContact O-CB 3.48Å; P9-V15 WeakPolarHBondContact O-CG2 3.45Å; P9-M36 HydrophobicContact CG-CG 4Å
10A93.4Very high95.1Very high38 Ų3834.5 Ų34.531%0.31420%0.201SC..THydrogen-bonded Turntrans-55.9-28.7-178.200000113.4G8 S12 M16 L211G8-A10 PolarHBondContact O-N 3.3Å; A10-S12 VanDerWaalsContact C-N 3.3Å; A10-S12 PolarHBondContact O-N 3.44Å; A10-M16 VanDerWaalsContact O-CG 3.25Å; A10-M16 WeakPolarHBondContact O-CG 3.16Å; A10-L211 HydrophobicContact CB-CD2 3.89Å; A10-L211 WeakPolarHBondContact O-CD2 3.37Å
11M91.8Very high95.3Very high61 Ų6132.9 Ų32.930%0.319%0.192SC..THydrogen-bonded Turntrans-77.6-6.5176.970.5-168.8-6100114.7P9 T13 F123 Y175 L211P9-M11 HydrophobicContact CB-CG 4.26Å; P9-M11 PolarHBondContact O-N 2.81Å; M11-T13 PolarHBondContact O-N 3.31Å; M11-F123 HydrophobicContact CE-CE2 3.72Å; M11-F123 HydrophobicContact CE-CZ 3.41Å; M11-F123 VanDerWaalsContact CE-CZ 3.41Å; M11-F123 HydrophobicContact SD-CE2 4.42Å; M11-F123 HydrophobicContact SD-CZ 3.76Å; M11-Y175 PolarHBondContact O-OH 3.47Å; M11-L211 HydrophobicContact CB-CD2 4.33Å
12S95.3Very high96.7Very high22 Ų2222.6 Ų22.615%0.15414%0.141CC..SBendtrans-65.9127.7171.6171.70000109.1P9 A10 N14 V15 M16P9-S12 WeakPolarHBondContact O-CB 3.48Å; P9-S12 PolarHBondContact O-N 3.06Å; A10-S12 VanDerWaalsContact C-N 3.3Å; A10-S12 PolarHBondContact O-N 3.44Å; S12-N14 PolarHBondContact O-N 3.38Å; S12-N14 VanDerWaalsContact O-N 3.15Å; S12-N14 PolarHBondContact OG-N 3.31Å; S12-V15 WeakPolarHBondContact O-CA 3.37Å; S12-V15 WeakPolarHBondContact O-CB 3.46Å; S12-V15 PolarHBondContact O-N 2.92Å; S12-M16 WeakPolarHBondContact O-CG 3.43Å; S12-M16 PolarHBondContact O-N 2.93Å
13T96.5Very high97.2Very high21 Ų2120 Ų2013%0.12911%0.114CC..Hα-helixtrans-51.9-39.1176.449.20000112.4M11 M16 R17 I114 P171 T172 Y175M11-T13 PolarHBondContact O-N 3.31Å; T13-M16 PolarHBondContact O-N 3.06Å; T13-R17 PolarHBondContact O-N 3.14Å; T13-R17 VanDerWaalsContact O-N 3.09Å; T13-I114 HydrophobicContact CG2-CD1 4.23Å; T13-P171 HydrophobicContact CG2-CB 4.24Å; T13-P171 VanDerWaalsContact O-CB 3.23Å; T13-P171 WeakPolarHBondContact O-CB 3.37Å; T13-P171 WeakPolarHBondContact O-CG 3.48Å; T13-T172 HydrophobicContact CG2-CG2 4.44Å; T13-Y175 HydrophobicContact CG2-CD2 3.5Å; T13-Y175 VanDerWaalsContact CG2-CD2 3.5Å; T13-Y175 HydrophobicContact CG2-CE2 3.58Å
14N98.1Very high97.3Very high47 Ų4719.7 Ų19.725%0.25111%0.108SC..Hα-helixtrans-73.6-30.6178.6-72.6-59.9000113.1S12 R17 P56 S68S12-N14 PolarHBondContact O-N 3.38Å; S12-N14 VanDerWaalsContact O-N 3.15Å; S12-N14 PolarHBondContact OG-N 3.31Å; N14-R17 PolarHBondContact OD1-NH1 3.16Å; N14-P56 HydrophobicContact CB-CG 4.3Å; N14-S68 VanDerWaalsContact O-CB 3.23Å; N14-S68 WeakPolarHBondContact O-CB 3.18Å; N14-S68 PolarHBondContact OD1-OG 2.71Å
15V98Very high97.4Very high0 Ų020.8 Ų20.80%011%0.114CC..Hα-helixtrans-68.5-48.6170.21720000109.3V6 P9 S12 R17 I18 L19 P56V6-V15 HydrophobicContact CG1-CG1 3.96Å; P9-V15 WeakPolarHBondContact O-CB 3.48Å; P9-V15 WeakPolarHBondContact O-CG2 3.45Å; S12-V15 WeakPolarHBondContact O-CA 3.37Å; S12-V15 WeakPolarHBondContact O-CB 3.46Å; S12-V15 PolarHBondContact O-N 2.92Å; V15-R17 PolarHBondContact O-N 3.34Å; V15-I18 WeakPolarHBondContact O-CA 3.37Å; V15-I18 WeakPolarHBondContact O-CB 3.25Å; V15-I18 PolarHBondContact O-N 3.12Å; V15-L19 HydrophobicContact CG1-CD1 4.03Å; V15-L19 HydrophobicContact CG1-CD2 4.27Å; V15-L19 HydrophobicContact CG1-CG 4Å; V15-L19 WeakPolarHBondContact O-CG 3.34Å; V15-L19 PolarHBondContact O-N 3Å; V15-P56 HydrophobicContact CG2-CB 3.91Å
16M97.8Very high97.3Very high0 Ų020.2 Ų20.20%013%0.129CC..Hα-helixtrans-52.3-40.4177.4-66.9170.465.800112.5A10 S12 T13 I18 L19 V20 F170 P171 Y174 Y175 V207 L211A10-M16 VanDerWaalsContact O-CG 3.25Å; A10-M16 WeakPolarHBondContact O-CG 3.16Å; S12-M16 WeakPolarHBondContact O-CG 3.43Å; S12-M16 PolarHBondContact O-N 2.93Å; T13-M16 PolarHBondContact O-N 3.06Å; M16-I18 VanDerWaalsContact C-N 3.27Å; M16-I18 PolarHBondContact O-N 3.05Å; M16-L19 PolarHBondContact O-N 2.88Å; M16-V20 PolarHBondContact O-N 2.83Å; M16-F170 HydrophobicContact CB-CE1 4.09Å; M16-F170 HydrophobicContact CB-CZ 3.97Å; M16-F170 HydrophobicContact CE-CE1 4.43Å; M16-F170 HydrophobicContact CE-CE2 3.46Å; M16-F170 VanDerWaalsContact CE-CE2 3.46Å; M16-F170 HydrophobicContact CE-CZ 3.41Å; M16-F170 VanDerWaalsContact CE-CZ 3.41Å; M16-P171 HydrophobicContact CB-CB 3.92Å; M16-P171 HydrophobicContact CB-CG 3.95Å; M16-P171 HydrophobicContact CE-CB 4.29Å; M16-P171 HydrophobicContact SD-CB 4.34Å; M16-Y174 HydrophobicContact CE-CD1 3.75Å; M16-Y174 HydrophobicContact CE-CE1 4.35Å; M16-Y174 HydrophobicContact CE-CG 4.11Å; M16-Y175 HydrophobicContact SD-CE2 4.02Å; M16-V207 HydrophobicContact CB-CG1 4.36Å; M16-V207 HydrophobicContact CG-CG1 4.37Å; M16-L211 HydrophobicContact CE-CD1 3.48Å; M16-L211 VanDerWaalsContact CE-CD1 3.48Å; M16-L211 HydrophobicContact CG-CD1 3.99Å; M16-L211 HydrophobicContact SD-CD1 3.62Å
17R98.5Very high97.2Very high1 Ų121 Ų210%0.00414%0.136CC..Hα-helixtrans-58.1-37.6176.5-167.4177.5-68.5143.4-4.4113T13 N14 V15 V20 C21 S68 R69 E102 S168 P171T13-R17 PolarHBondContact O-N 3.14Å; T13-R17 VanDerWaalsContact O-N 3.09Å; N14-R17 PolarHBondContact OD1-NH1 3.16Å; V15-R17 PolarHBondContact O-N 3.34Å; R17-V20 VanDerWaalsContact O-CG1 3.24Å; R17-V20 WeakPolarHBondContact O-CG1 3.25Å; R17-C21 PolarHBondContact O-SG 3.16Å; R17-S68 PolarHBondContact NH1-OG 2.88Å; R17-R69 VanDerWaalsContact CZ-NH2 3.35Å; R17-E102 IonicContact CZ-OE1 3.68Å; R17-E102 IonicContact NH2-OE1 3.77Å; R17-E102 PolarHBondContact NH2-OE1 3.13Å; R17-E102 IonicContact NH2-OE2 2.81Å; R17-S168 PolarHBondContact NE-O 3.45Å; R17-P171 HydrophobicContact CB-CG 4.04Å
18I98.4Very high97.2Very high0 Ų027.9 Ų27.90%017%0.168CC..Hα-helixtrans-73.8-45.8175.7-65.2173.8000110.3V6 V15 M16 V20 C21 L22 P56 F58 I71 I75V6-I18 HydrophobicContact CG1-CD1 4.4Å; V6-I18 HydrophobicContact CG1-CG2 4.23Å; V6-I18 HydrophobicContact CG2-CG2 3.91Å; V15-I18 WeakPolarHBondContact O-CA 3.37Å; V15-I18 WeakPolarHBondContact O-CB 3.25Å; V15-I18 PolarHBondContact O-N 3.12Å; M16-I18 VanDerWaalsContact C-N 3.27Å; M16-I18 PolarHBondContact O-N 3.05Å; I18-V20 VanDerWaalsContact C-N 3.3Å; I18-V20 PolarHBondContact O-N 2.72Å; I18-C21 PolarHBondContact O-N 3.1Å; I18-C21 VanDerWaalsContact O-N 3.07Å; I18-L22 HydrophobicContact CG2-CD1 3.75Å; I18-L22 HydrophobicContact CG2-CG 4.32Å; I18-L22 PolarHBondContact O-N 3.47Å; I18-P56 HydrophobicContact CD1-CB 3.51Å; I18-P56 HydrophobicContact CD1-CG 3.22Å; I18-P56 HydrophobicContact CG1-CG 4.29Å; I18-F58 HydrophobicContact CG2-CD2 4.38Å; I18-I71 HydrophobicContact CD1-CB 3.87Å; I18-I71 HydrophobicContact CD1-CD1 3.55Å; I18-I71 HydrophobicContact CD1-CG1 4.31Å; I18-I71 HydrophobicContact CD1-CG2 3.66Å; I18-I71 HydrophobicContact CG1-CB 4.08Å; I18-I71 HydrophobicContact CG1-CG2 3.84Å; I18-I71 HydrophobicContact CG2-CG2 3.94Å; I18-I75 HydrophobicContact CG2-CD1 3.66Å
19L98.4Very high97.2Very high9 Ų930.8 Ų30.85%0.04718%0.18CC..Hα-helixtrans-59-42.8-176.7-58.2-169.8000111.4V6 V15 M16 C21 L22 E23 Y29 V31 V207V6-L19 HydrophobicContact CB-CD2 4.26Å; V6-L19 HydrophobicContact CG1-CD2 4.17Å; V6-L19 HydrophobicContact CG2-CD2 4.01Å; V15-L19 HydrophobicContact CG1-CD1 4.03Å; V15-L19 HydrophobicContact CG1-CD2 4.27Å; V15-L19 HydrophobicContact CG1-CG 4Å; V15-L19 WeakPolarHBondContact O-CG 3.34Å; V15-L19 PolarHBondContact O-N 3Å; M16-L19 PolarHBondContact O-N 2.88Å; L19-C21 VanDerWaalsContact C-N 3.29Å; L19-C21 PolarHBondContact O-N 2.81Å; L19-L22 HydrophobicContact CD2-CD1 4.39Å; L19-L22 PolarHBondContact O-N 3.05Å; L19-E23 VanDerWaalsContact O-CG 3.32Å; L19-E23 WeakPolarHBondContact O-CG 3.46Å; L19-E23 PolarHBondContact O-N 3.16Å; L19-Y29 HydrophobicContact CD2-CD2 4.07Å; L19-Y29 HydrophobicContact CD2-CE2 3.66Å; L19-V31 HydrophobicContact CD1-CG2 4.22Å; L19-V31 HydrophobicContact CD2-CG2 3.8Å; L19-V207 HydrophobicContact CB-CG1 4.14Å; L19-V207 HydrophobicContact CB-CG2 3.82Å; L19-V207 HydrophobicContact CD1-CG1 4.44Å
20V98.4Very high97.3Very high0 Ų033.3 Ų33.30%019%0.188CC..Hα-helixtrans-63.6-36.8178.168.30000111.7M16 R17 I18 E23 E24 I167 F170 V204 V207M16-V20 PolarHBondContact O-N 2.83Å; R17-V20 VanDerWaalsContact O-CG1 3.24Å; R17-V20 WeakPolarHBondContact O-CG1 3.25Å; I18-V20 VanDerWaalsContact C-N 3.3Å; I18-V20 PolarHBondContact O-N 2.72Å; V20-E23 PolarHBondContact O-N 3.25Å; V20-E24 VanDerWaalsContact O-CG 3.24Å; V20-E24 WeakPolarHBondContact O-CG 3.41Å; V20-E24 PolarHBondContact O-N 3.48Å; V20-I167 HydrophobicContact CB-CG2 4.26Å; V20-I167 HydrophobicContact CG1-CG2 3.47Å; V20-I167 VanDerWaalsContact CG1-CG2 3.47Å; V20-I167 HydrophobicContact CG2-CG2 3.74Å; V20-F170 HydrophobicContact CB-CD1 3.97Å; V20-F170 HydrophobicContact CB-CE1 3.65Å; V20-F170 HydrophobicContact CG1-CD1 3.78Å; V20-F170 HydrophobicContact CG1-CE1 3.76Å; V20-F170 HydrophobicContact CG2-CD1 4.18Å; V20-F170 HydrophobicContact CG2-CE1 4.21Å; V20-V204 HydrophobicContact CG2-CG2 3.7Å; V20-V207 HydrophobicContact CB-CG2 4.24Å
21C98.7Very high97.5Very high0 Ų033.9 Ų33.90%019%0.188CC..Hα-helixtrans-68.6-38.3177-65.60000112.1R17 I18 L19 E23 E24 V25 S72 I75 L76R17-C21 PolarHBondContact O-SG 3.16Å; I18-C21 PolarHBondContact O-N 3.1Å; I18-C21 VanDerWaalsContact O-N 3.07Å; L19-C21 VanDerWaalsContact C-N 3.29Å; L19-C21 PolarHBondContact O-N 2.81Å; C21-E23 VanDerWaalsContact C-N 3.32Å; C21-E24 PolarHBondContact O-N 3.33Å; C21-V25 WeakPolarHBondContact O-CG2 3.44Å; C21-V25 PolarHBondContact O-N 2.79Å; C21-S72 VanDerWaalsContact SG-CB 3.58Å; C21-I75 HydrophobicContact CB-CD1 4.49Å; C21-I75 HydrophobicContact CB-CG2 4.26Å; C21-L76 HydrophobicContact CB-CD2 4.28Å
22L98.5Very high97.8Very high3 Ų332.4 Ų32.42%0.01618%0.183CC..Hα-helixtrans-63.1-41.2173.8-70.1162.6000111.1V6 I18 L19 V25 G26 A27 Y29 F58 I75V6-L22 HydrophobicContact CG2-CD1 3.63Å; I18-L22 HydrophobicContact CG2-CD1 3.75Å; I18-L22 HydrophobicContact CG2-CG 4.32Å; I18-L22 PolarHBondContact O-N 3.47Å; L19-L22 HydrophobicContact CD2-CD1 4.39Å; L19-L22 PolarHBondContact O-N 3.05Å; L22-V25 PolarHBondContact O-N 3.03Å; L22-G26 PolarHBondContact O-N 3.37Å; L22-G26 VanDerWaalsContact O-N 3.09Å; L22-A27 HydrophobicContact CB-CB 4.43Å; L22-A27 HydrophobicContact CD2-CB 3.74Å; L22-A27 PolarHBondContact O-N 2.91Å; L22-Y29 HydrophobicContact CB-CD1 3.56Å; L22-Y29 HydrophobicContact CB-CE1 3.79Å; L22-Y29 HydrophobicContact CB-CG 4.31Å; L22-Y29 HydrophobicContact CD1-CD1 3.79Å; L22-Y29 HydrophobicContact CD1-CD2 4.18Å; L22-Y29 HydrophobicContact CD1-CE1 4.41Å; L22-Y29 HydrophobicContact CD1-CG 3.64Å; L22-Y29 HydrophobicContact CG-CD1 4.15Å; L22-Y29 HydrophobicContact CG-CG 4.46Å; L22-F58 HydrophobicContact CD2-CE2 4.42Å; L22-I75 HydrophobicContact CD1-CD1 4.4Å; L22-I75 HydrophobicContact CD2-CD1 3.79Å; L22-I75 HydrophobicContact CD2-CG1 3.93Å; L22-I75 HydrophobicContact CD2-CG2 3.96Å; L22-I75 HydrophobicContact CG-CD1 3.77Å; L22-I75 HydrophobicContact CG-CG1 4.43Å; L22-I75 HydrophobicContact CG-CG2 4.39Å
23E98.2Very high97.8Very high34 Ų3436.1 Ų36.116%0.15921%0.206CC..Hα-helixtrans-68.8-39.2177-69.9-66.7-177.800112.9L19 V20 C21 V25 G26 Y29 K206 V207L19-E23 VanDerWaalsContact O-CG 3.32Å; L19-E23 WeakPolarHBondContact O-CG 3.46Å; L19-E23 PolarHBondContact O-N 3.16Å; V20-E23 PolarHBondContact O-N 3.25Å; C21-E23 VanDerWaalsContact C-N 3.32Å; E23-V25 PolarHBondContact O-N 3.15Å; E23-G26 PolarHBondContact O-N 3.43Å; E23-Y29 HydrophobicContact CG-CE1 4.18Å; E23-Y29 PolarHBondContact OE1-OH 2.9Å; E23-K206 WeakPolarHBondContact OE1-CD 3.48Å; E23-K206 WeakPolarHBondContact OE1-CE 3.3Å; E23-K206 IonicContact OE1-NZ 3.98Å; E23-K206 PolarHBondContact OE1-NZ 2.94Å; E23-K206 WeakPolarHBondContact OE2-CD 3.37Å; E23-K206 IonicContact OE2-NZ 3.12Å; E23-K206 PolarHBondContact OE2-NZ 2.76Å; E23-V207 HydrophobicContact CG-CG2 4.03Å
24E98.3Very high97.8Very high48 Ų4835.5 Ų35.522%0.22420%0.202CC..Hα-helixtrans-58.6-35.4174.8-75.7-74.9165.100112.5V20 C21 L83 I167 R201 S203V20-E24 VanDerWaalsContact O-CG 3.24Å; V20-E24 WeakPolarHBondContact O-CG 3.41Å; V20-E24 PolarHBondContact O-N 3.48Å; C21-E24 PolarHBondContact O-N 3.33Å; E24-L83 HydrophobicContact CB-CD1 3.99Å; E24-L83 HydrophobicContact CG-CD1 3.99Å; E24-I167 HydrophobicContact CG-CD1 4.11Å; E24-R201 VanDerWaalsContact CD-NH2 3.33Å; E24-R201 IonicContact OE1-CZ 3.34Å; E24-R201 IonicContact OE1-NE 3.03Å; E24-R201 PolarHBondContact OE1-NE 3.09Å; E24-R201 IonicContact OE1-NH2 3.06Å; E24-R201 PolarHBondContact OE1-NH2 3.36Å; E24-R201 IonicContact OE2-CZ 3.83Å; E24-R201 IonicContact OE2-NH2 2.81Å; E24-R201 PolarHBondContact OE2-NH2 2.87Å; E24-S203 VanDerWaalsContact CD-OG 3.31Å; E24-S203 WeakPolarHBondContact OE1-CB 3.49Å; E24-S203 PolarHBondContact OE1-OG 3.44Å
25V98.3Very high97.7Very high31 Ų3136.3 Ų36.319%0.18821%0.206CC..THydrogen-bonded Turntrans-98.93.2-178.5-53.60000113.6C21 L22 E23 A27 I75 L76 H79C21-V25 WeakPolarHBondContact O-CG2 3.44Å; C21-V25 PolarHBondContact O-N 2.79Å; L22-V25 PolarHBondContact O-N 3.03Å; E23-V25 PolarHBondContact O-N 3.15Å; V25-A27 VanDerWaalsContact C-N 3.27Å; V25-A27 HydrophobicContact CG2-CB 3.83Å; V25-A27 PolarHBondContact O-N 3.15Å; V25-I75 HydrophobicContact CG2-CG2 3.71Å; V25-L76 HydrophobicContact CG1-CD2 3.71Å; V25-H79 HydrophobicContact CB-CB 3.67Å; V25-H79 HydrophobicContact CG1-CB 3.9Å; V25-H79 HydrophobicContact CG2-CB 3.97Å
26G97.4Very high97.4Very high64 Ų6439.8 Ų39.866%0.6622%0.224SC*.THydrogen-bonded Turntrans61.131.7-17900000114.1L22 E23L22-G26 PolarHBondContact O-N 3.37Å; L22-G26 VanDerWaalsContact O-N 3.09Å; E23-G26 PolarHBondContact O-N 3.43Å
27A97.6Very high97Very high17 Ų1744.8 Ų44.814%0.1426%0.259CS..  trans-77.7141.417900000111.6L22 V25 Y29L22-A27 HydrophobicContact CB-CB 4.43Å; L22-A27 HydrophobicContact CD2-CB 3.74Å; L22-A27 PolarHBondContact O-N 2.91Å; V25-A27 VanDerWaalsContact C-N 3.27Å; V25-A27 HydrophobicContact CG2-CB 3.83Å; V25-A27 PolarHBondContact O-N 3.15Å; A27-Y29 WeakPolarHBondContact O-CD1 3.47Å
28E97.1Very high96.7Very high153 Ų15348.4 Ų48.472%0.71528%0.281SS*.  trans-76.7132.9168.5-64.9-175.7167.500110.5P3 A4P3-E28 HydrophobicContact CB-CB 4.16Å; A4-E28 PolarHBondContact N-O 3.29Å
29Y97.8Very high96.6Very high61 Ų6149.4 Ų49.424%0.23929%0.291CS..EExtended strand (participates in β ladder)trans-146.8158.4179.665.3-91.9000112.7A4 L19 L22 E23 A27 V31A4-Y29 CarbonylContact O-C 3.58Å; A4-Y29 WeakPolarHBondContact O-CA 3.22Å; A4-Y29 WeakPolarHBondContact O-CB 3.36Å; L19-Y29 HydrophobicContact CD2-CD2 4.07Å; L19-Y29 HydrophobicContact CD2-CE2 3.66Å; L22-Y29 HydrophobicContact CB-CD1 3.56Å; L22-Y29 HydrophobicContact CB-CE1 3.79Å; L22-Y29 HydrophobicContact CB-CG 4.31Å; L22-Y29 HydrophobicContact CD1-CD1 3.79Å; L22-Y29 HydrophobicContact CD1-CD2 4.18Å; L22-Y29 HydrophobicContact CD1-CE1 4.41Å; L22-Y29 HydrophobicContact CD1-CG 3.64Å; L22-Y29 HydrophobicContact CG-CD1 4.15Å; L22-Y29 HydrophobicContact CG-CG 4.46Å; E23-Y29 HydrophobicContact CG-CE1 4.18Å; E23-Y29 PolarHBondContact OE1-OH 2.9Å; A27-Y29 WeakPolarHBondContact O-CD1 3.47Å; Y29-V31 HydrophobicContact CD2-CG2 3.96Å; Y29-V31 HydrophobicContact CE2-CG2 3.77Å
30E97.6Very high96.6Very high89 Ų8951.8 Ų51.842%0.41630%0.302SS..EExtended strand (participates in β ladder)trans-116.5130.4171.3-178-172.4175.800109A4 K5 V6 V32A4-E30 PolarHBondContact O-N 3.2Å; K5-E30 CarbonylContact C-O 3.43Å; K5-E30 WeakPolarHBondContact CA-O 3.32Å; K5-E30 WeakPolarHBondContact CE-OE2 3.4Å; K5-E30 HydrophobicContact CG-CB 4.4Å; V6-E30 PolarHBondContact N-O 3.3Å; E30-V32 HydrophobicContact CG-CG2 4.18Å
31V97.4Very high96.5Very high50 Ų5053.1 Ų53.130%0.30331%0.308SS..EExtended strand (participates in β ladder)trans-91.2110.1169.2-175.40000108.4V6 G8 L19 Y29V6-V31 CarbonylContact O-C 3.56Å; V6-V31 WeakPolarHBondContact O-CA 3.48Å; G8-V31 WeakPolarHBondContact O-CG1 3.47Å; L19-V31 HydrophobicContact CD1-CG2 4.22Å; L19-V31 HydrophobicContact CD2-CG2 3.8Å; Y29-V31 HydrophobicContact CD2-CG2 3.96Å; Y29-V31 HydrophobicContact CE2-CG2 3.77Å
32V97.7Very high96.5Very high31 Ų3158.5 Ų58.519%0.18833%0.331CS..EExtended strand (participates in β ladder)trans-90.4115.8176.8-175.40000108.3K5 V6 Y7 G8 E30K5-V32 HydrophobicContact CB-CG2 4.2Å; K5-V32 HydrophobicContact CD-CG2 4.2Å; K5-V32 HydrophobicContact CG-CG2 4.28Å; V6-V32 PolarHBondContact O-N 3.02Å; Y7-V32 WeakPolarHBondContact CA-O 3.35Å; Y7-V32 HydrophobicContact CD1-CB 3.61Å; Y7-V32 HydrophobicContact CD1-CG1 3.71Å; Y7-V32 HydrophobicContact CD1-CG2 4.24Å; Y7-V32 HydrophobicContact CE1-CB 3.73Å; Y7-V32 HydrophobicContact CE1-CG1 3.66Å; Y7-V32 HydrophobicContact CE1-CG2 3.92Å; Y7-V32 HydrophobicContact CG-CB 4.34Å; G8-V32 PolarHBondContact N-O 3.35Å; E30-V32 HydrophobicContact CG-CG2 4.18Å
33P95.7Very high96.4Very high100 Ų10064.5 Ų64.565%0.64935%0.354SS*.  trans-63.6142.3-178.126.4-33.7000110.8
34V97Very high96.4Very high7 Ų767.2 Ų67.24%0.04237%0.374CS..  trans-125.2119.5169.4177.90000107M36 E40 H41 V55V34-M36 HydrophobicContact CG1-SD 4.46Å; V34-M36 PolarHBondContact O-N 3.22Å; V34-M36 VanDerWaalsContact O-N 3.11Å; V34-E40 HydrophobicContact CG1-CB 4.1Å; V34-E40 HydrophobicContact CG1-CG 4.23Å; V34-H41 HydrophobicContact CG1-CB 3.88Å; V34-V55 HydrophobicContact CB-CG1 4.09Å; V34-V55 HydrophobicContact CG1-CG1 4.09Å; V34-V55 HydrophobicContact CG2-CG1 4.39Å
35D94.2Very high96.4Very high64 Ų6468.2 Ų68.234%0.34239%0.385SS..  trans-77.998.7-177.9-1772.8000111S37 T38 E40D35-S37 VanDerWaalsContact C-N 3.27Å; D35-S37 PolarHBondContact O-N 2.84Å; D35-S37 WeakPolarHBondContact OD1-CB 3.15Å; D35-S37 PolarHBondContact OD1-N 3.36Å; D35-S37 PolarHBondContact OD1-OG 3.43Å; D35-T38 PolarHBondContact O-OG1 3.03Å; D35-T38 PolarHBondContact OD1-N 3.47Å; D35-T38 WeakPolarHBondContact OD2-CB 3.17Å; D35-T38 WeakPolarHBondContact OD2-CG2 3.38Å; D35-T38 PolarHBondContact OD2-OG1 2.68Å; D35-E40 HydrophobicContact CB-CB 4.33Å; D35-E40 PolarHBondContact N-OE2 3.42Å; D35-E40 WeakPolarHBondContact O-CB 3.28Å; D35-E40 PolarHBondContact O-N 3.26Å
36M92.9Very high96.4Very high74 Ų7466.8 Ų66.837%0.36538%0.376SS..THydrogen-bonded Turntrans-67.7-28.8178.4-59.7-65.3-6900112.1P9 V34 G39 H41 V55P9-M36 HydrophobicContact CG-CG 4Å; V34-M36 HydrophobicContact CG1-SD 4.46Å; V34-M36 PolarHBondContact O-N 3.22Å; V34-M36 VanDerWaalsContact O-N 3.11Å; M36-G39 PolarHBondContact O-N 2.77Å; M36-H41 HydrophobicContact CE-CB 4.22Å; M36-H41 WeakPolarHBondContact CE-CD2 3.41Å; M36-H41 PolarHBondContact O-CE1 2.91Å; M36-H41 HydrophobicContact SD-CB 3.56Å; M36-H41 VanDerWaalsContact SD-CB 3.56Å; M36-V55 HydrophobicContact CE-CG2 4.05Å; M36-V55 HydrophobicContact SD-CB 4.48Å; M36-V55 HydrophobicContact SD-CG1 3.74Å; M36-V55 HydrophobicContact SD-CG2 3.87Å
37S88.8Confident96.4Very high105 Ų10566.6 Ų66.673%0.73436%0.36SS*.THydrogen-bonded Turntrans-71.8-32.8-175.275.30000112.6D35 G39D35-S37 VanDerWaalsContact C-N 3.27Å; D35-S37 PolarHBondContact O-N 2.84Å; D35-S37 WeakPolarHBondContact OD1-CB 3.15Å; D35-S37 PolarHBondContact OD1-N 3.36Å; D35-S37 PolarHBondContact OD1-OG 3.43Å; S37-G39 VanDerWaalsContact C-N 3.32Å
38T93.5Very high96.4Very high76 Ų7670.6 Ų70.647%0.46639%0.387SS..THydrogen-bonded Turntrans-90.22.8175.758.90000113.3D35 E40 R43D35-T38 PolarHBondContact O-OG1 3.03Å; D35-T38 PolarHBondContact OD1-N 3.47Å; D35-T38 WeakPolarHBondContact OD2-CB 3.17Å; D35-T38 WeakPolarHBondContact OD2-CG2 3.38Å; D35-T38 PolarHBondContact OD2-OG1 2.68Å; T38-E40 VanDerWaalsContact C-N 3.35Å; T38-R43 PolarHBondContact O-NH2 3.34Å
39G95.2Very high96.5Very high21 Ų2165.5 Ų65.522%0.21636%0.361CS..THydrogen-bonded Turntrans72.722.5-177.100000114M36 S37 H41 K42M36-G39 PolarHBondContact O-N 2.77Å; S37-G39 VanDerWaalsContact C-N 3.32Å; G39-H41 VanDerWaalsContact C-N 3.28Å; G39-H41 PolarHBondContact O-N 2.57Å; G39-K42 WeakPolarHBondContact O-CB 3.41Å; G39-K42 PolarHBondContact O-N 2.96Å
40E97.5Very high96.5Very high60 Ų6062.8 Ų62.828%0.2835%0.35SS..G310 helixtrans-55-43-178.9-171.1-174.8170.400112.3V34 D35 T38 K42 R43V34-E40 HydrophobicContact CG1-CB 4.1Å; V34-E40 HydrophobicContact CG1-CG 4.23Å; D35-E40 HydrophobicContact CB-CB 4.33Å; D35-E40 PolarHBondContact N-OE2 3.42Å; D35-E40 WeakPolarHBondContact O-CB 3.28Å; D35-E40 PolarHBondContact O-N 3.26Å; T38-E40 VanDerWaalsContact C-N 3.35Å; E40-K42 PolarHBondContact O-N 2.95Å; E40-R43 PolarHBondContact O-N 3.46Å
41H97.8Very high96.5Very high27 Ų2762.8 Ų62.813%0.12536%0.359CS..G310 helixtrans-55.6-14.7174.964.8-66.3000115.1V34 M36 G39 H46 G53 V55V34-H41 HydrophobicContact CG1-CB 3.88Å; M36-H41 HydrophobicContact CE-CB 4.22Å; M36-H41 WeakPolarHBondContact CE-CD2 3.41Å; M36-H41 PolarHBondContact O-CE1 2.91Å; M36-H41 HydrophobicContact SD-CB 3.56Å; M36-H41 VanDerWaalsContact SD-CB 3.56Å; G39-H41 VanDerWaalsContact C-N 3.28Å; G39-H41 PolarHBondContact O-N 2.57Å; H41-H46 PolarHBondContact O-CD2 3.19Å; H41-G53 PolarHBondContact CD2-O 2.78Å; H41-G53 CarbonylContact O-C 3.51Å; H41-G53 VanDerWaalsContact O-C 3.29Å; H41-G53 WeakPolarHBondContact O-CA 3.24Å; H41-V55 HydrophobicContact CB-CG1 4.34Å
42K98Very high96.6Very high113 Ų11366.7 Ų66.749%0.49137%0.372SS..G310 helixtrans-101.83.9177.9-59.1-56.9-171-174.10113.8G39 E40 I47 F52 G53G39-K42 WeakPolarHBondContact O-CB 3.41Å; G39-K42 PolarHBondContact O-N 2.96Å; E40-K42 PolarHBondContact O-N 2.95Å; K42-I47 WeakPolarHBondContact O-CG2 3.46Å; K42-F52 PolarHBondContact NZ-O 3.41Å; K42-G53 WeakPolarHBondContact CD-O 3.43Å; K42-G53 VanDerWaalsContact CE-O 3.29Å; K42-G53 WeakPolarHBondContact CE-O 3.37Å; K42-G53 PolarHBondContact NZ-O 3.41Å
43R97.5Very high96.6Very high129 Ų12965.3 Ų65.349%0.48736%0.364SS..SBendtrans-128.9162.6-177.2-62.3-177.7-63.8-145-6.2111.7T38 E40 H46 I47T38-R43 PolarHBondContact O-NH2 3.34Å; E40-R43 PolarHBondContact O-N 3.46Å; R43-H46 PolarHBondContact O-N 2.99Å; R43-I47 PolarHBondContact O-N 2.86Å; R43-I47 VanDerWaalsContact O-N 3.16Å
44P97.7Very high96.7Very high91 Ų9165.3 Ų65.359%0.59136%0.355SS*.THydrogen-bonded Turntrans-59.8145.7166.9-2334.8000111I47P44-I47 HydrophobicContact CG-CD1 3.82Å; P44-I47 HydrophobicContact CG-CG1 3.94Å
45P96.9Very high96.8Very high70 Ų7065.8 Ų65.846%0.45536%0.358SS..THydrogen-bonded Turncis-82.2-9.54.832.7-35000114.3I47 S48P45-I47 PolarHBondContact O-N 2.93Å; P45-S48 WeakPolarHBondContact O-CB 3.27Å; P45-S48 PolarHBondContact O-N 3.23Å; P45-S48 VanDerWaalsContact O-N 3.09Å
46H98.5Very high97Very high0 Ų062.9 Ų62.90%034%0.343CS..Hα-helixtrans-64.2-40.4-170.4-166.373000114H41 R43 S48 R49 N50 Q54H41-H46 PolarHBondContact O-CD2 3.19Å; R43-H46 PolarHBondContact O-N 2.99Å; H46-S48 PolarHBondContact O-N 3.22Å; H46-R49 WeakPolarHBondContact O-CA 3.34Å; H46-R49 WeakPolarHBondContact O-CB 3.36Å; H46-R49 PolarHBondContact O-N 2.91Å; H46-N50 PolarHBondContact O-N 2.94Å; H46-Q54 PolarHBondContact NE2-O 3.13Å
47I98Very high97.3Very high61 Ų6159.4 Ų59.431%0.31333%0.325SS..Hα-helixtrans-65.5-19.3177.766.5176.7000113.4K42 R43 P44 P45 R49 N50 P51K42-I47 WeakPolarHBondContact O-CG2 3.46Å; R43-I47 PolarHBondContact O-N 2.86Å; R43-I47 VanDerWaalsContact O-N 3.16Å; P44-I47 HydrophobicContact CG-CD1 3.82Å; P44-I47 HydrophobicContact CG-CG1 3.94Å; P45-I47 PolarHBondContact O-N 2.93Å; I47-R49 VanDerWaalsContact C-N 3.27Å; I47-N50 WeakPolarHBondContact CA-O 3.49Å; I47-N50 CarbonylContact O-C 3.57Å; I47-P51 WeakPolarHBondContact O-CA 3.36Å
48S97.9Very high97.7Very high101 Ų10154.4 Ų54.471%0.70629%0.29SS*.Hα-helixtrans-74.5-21171.6-56.40000112P45 H46P45-S48 WeakPolarHBondContact O-CB 3.27Å; P45-S48 PolarHBondContact O-N 3.23Å; P45-S48 VanDerWaalsContact O-N 3.09Å; H46-S48 PolarHBondContact O-N 3.22Å
49R98.3Very high98Very high46 Ų4653 Ų5317%0.17428%0.278CS..Hα-helixtrans-91.3-44.6175.1-53.2-177.3-179.4104.20.4112.5Y7 H46 I47 A57 E59 T64Y7-R49 VanDerWaalsContact CZ-CZ 3.48Å; Y7-R49 VanDerWaalsContact CZ-NE 3.27Å; Y7-R49 PolarHBondContact OH-NH2 3.09Å; H46-R49 WeakPolarHBondContact O-CA 3.34Å; H46-R49 WeakPolarHBondContact O-CB 3.36Å; H46-R49 PolarHBondContact O-N 2.91Å; I47-R49 VanDerWaalsContact C-N 3.27Å; R49-A57 HydrophobicContact CB-CB 3.55Å; R49-E59 WeakPolarHBondContact CD-OE1 3.38Å; R49-E59 IonicContact CZ-OE1 2.68Å; R49-E59 IonicContact NE-OE1 2.78Å; R49-E59 PolarHBondContact NE-OE1 2.85Å; R49-E59 IonicContact NH2-OE1 2.77Å; R49-T64 HydrophobicContact CB-CG2 3.87Å; R49-T64 HydrophobicContact CG-CG2 4.26Å
50N98.6Very high98.1Very high3 Ų353 Ų532%0.01627%0.274CS..  trans-127.7104.7174-177-18.2000109.7H46 I47 F52 G53 Q54 A57 F66H46-N50 PolarHBondContact O-N 2.94Å; I47-N50 WeakPolarHBondContact CA-O 3.49Å; I47-N50 CarbonylContact O-C 3.57Å; N50-F52 PolarHBondContact O-N 2.87Å; N50-F52 VanDerWaalsContact O-N 3.15Å; N50-F52 WeakPolarHBondContact OD1-CB 3.33Å; N50-F52 PolarHBondContact OD1-N 2.72Å; N50-G53 PolarHBondContact O-N 3.47Å; N50-Q54 PolarHBondContact ND2-O 2.86Å; N50-A57 HydrophobicContact CB-CB 4.23Å; N50-F66 HydrophobicContact CB-CB 3.83Å; N50-F66 HydrophobicContact CB-CG 4.35Å
51P98.3Very high98.1Very high90 Ų9053.5 Ų53.558%0.58430%0.295SS*.THydrogen-bonded Turntrans-67-16.1-175.127.8-35.1000114I47 G53 F66I47-P51 WeakPolarHBondContact O-CA 3.36Å; P51-G53 PolarHBondContact O-N 3.49Å; P51-F66 HydrophobicContact CG-CE1 4.36Å; P51-F66 HydrophobicContact CG-CZ 4.4Å
52F98.4Very high98Very high132 Ų13260.5 Ų60.558%0.57933%0.333SS*.THydrogen-bonded Turntrans-78.5-5.6172.3-61.6-79.5000112.7K42 N50 Q54 F66K42-F52 PolarHBondContact NZ-O 3.41Å; N50-F52 PolarHBondContact O-N 2.87Å; N50-F52 VanDerWaalsContact O-N 3.15Å; N50-F52 WeakPolarHBondContact OD1-CB 3.33Å; N50-F52 PolarHBondContact OD1-N 2.72Å; F52-Q54 HydrophobicContact CB-CG 4.39Å; F52-F66 HydrophobicContact CD2-CD2 4.25Å; F52-F66 AromaticContact CD2-CE2 3.82Å; F52-F66 HydrophobicContact CD2-CE2 3.82Å; F52-F66 HydrophobicContact CD2-CZ 4.49Å; F52-F66 HydrophobicContact CE2-CD2 4.48Å; F52-F66 AromaticContact CE2-CE2 3.63Å; F52-F66 HydrophobicContact CE2-CE2 3.63Å; F52-F66 HydrophobicContact CE2-CZ 4.11Å
53G98Very high98Very high2 Ų258.4 Ų58.42%0.02133%0.327CS..  trans58.947.9-177.200000111.2H41 K42 N50 P51H41-G53 PolarHBondContact CD2-O 2.78Å; H41-G53 CarbonylContact O-C 3.51Å; H41-G53 VanDerWaalsContact O-C 3.29Å; H41-G53 WeakPolarHBondContact O-CA 3.24Å; K42-G53 WeakPolarHBondContact CD-O 3.43Å; K42-G53 VanDerWaalsContact CE-O 3.29Å; K42-G53 WeakPolarHBondContact CE-O 3.37Å; K42-G53 PolarHBondContact NZ-O 3.41Å; N50-G53 PolarHBondContact O-N 3.47Å; P51-G53 PolarHBondContact O-N 3.49Å
54Q98.2Very high98.1Very high100 Ų10055.2 Ų55.247%0.46732%0.322SS..  trans-122.5159.3177.1-70.1178.9-42.200109.8H46 N50 F52H46-Q54 PolarHBondContact NE2-O 3.13Å; N50-Q54 PolarHBondContact ND2-O 2.86Å; F52-Q54 HydrophobicContact CB-CG 4.39Å
55V98.1Very high98.1Very high16 Ų1652.9 Ų52.910%0.09730%0.304CS..SBendtrans-103.9146.8168.9-66.10000108.7V34 M36 H41V34-V55 HydrophobicContact CB-CG1 4.09Å; V34-V55 HydrophobicContact CG1-CG1 4.09Å; V34-V55 HydrophobicContact CG2-CG1 4.39Å; M36-V55 HydrophobicContact CE-CG2 4.05Å; M36-V55 HydrophobicContact SD-CB 4.48Å; M36-V55 HydrophobicContact SD-CG1 3.74Å; M36-V55 HydrophobicContact SD-CG2 3.87Å; H41-V55 HydrophobicContact CB-CG1 4.34Å
56P98.6Very high98.2Very high4 Ų452.9 Ų52.93%0.02630%0.297CS..  cis-79.4162.60.831.6-36.2000114V6 Y7 N14 V15 I18 I71V6-P56 HydrophobicContact CG1-CB 4.44Å; Y7-P56 VanDerWaalsContact O-CA 3.28Å; Y7-P56 WeakPolarHBondContact O-CA 3.38Å; N14-P56 HydrophobicContact CB-CG 4.3Å; V15-P56 HydrophobicContact CG2-CB 3.91Å; I18-P56 HydrophobicContact CD1-CB 3.51Å; I18-P56 HydrophobicContact CD1-CG 3.22Å; I18-P56 HydrophobicContact CG1-CG 4.29Å; P56-I71 HydrophobicContact CG-CD1 4.37Å
57A98.8Very high98.2Very high0 Ų057.1 Ų57.10%032%0.317CS..EExtended strand (participates in β ladder)trans-118.1163.4147.500000109Y7 R49 N50 L65Y7-A57 HydrophobicContact CD2-CB 4.42Å; Y7-A57 PolarHBondContact N-O 2.93Å; Y7-A57 PolarHBondContact O-N 3.35Å; Y7-A57 VanDerWaalsContact O-N 3.15Å; R49-A57 HydrophobicContact CB-CB 3.55Å; N50-A57 HydrophobicContact CB-CB 4.23Å; A57-L65 CarbonylContact C-O 3.6Å; A57-L65 WeakPolarHBondContact CA-O 3.2Å
58F98.8Very high98.2Very high1 Ų154.3 Ų54.30%0.00430%0.303CS..EExtended strand (participates in β ladder)trans-140.5137.8-175176.8-92.7000111.1A4 K5 V6 I18 L22 D60 T64 L65 I71 Y74 I75A4-F58 HydrophobicContact CB-CE2 3.62Å; A4-F58 HydrophobicContact CB-CZ 3.55Å; K5-F58 CarbonylContact O-C 3.48Å; K5-F58 VanDerWaalsContact O-CA 3.26Å; K5-F58 WeakPolarHBondContact O-CA 3.5Å; V6-F58 HydrophobicContact CG2-CD2 4.08Å; V6-F58 HydrophobicContact CG2-CE2 4.41Å; I18-F58 HydrophobicContact CG2-CD2 4.38Å; L22-F58 HydrophobicContact CD2-CE2 4.42Å; F58-D60 HydrophobicContact CD1-CB 4.45Å; F58-D60 HydrophobicContact CE1-CB 3.58Å; F58-D60 HydrophobicContact CZ-CB 4.04Å; F58-T64 CarbonylContact O-C 3.29Å; F58-T64 WeakPolarHBondContact O-CA 3.48Å; F58-L65 HydrophobicContact CB-CB 4.38Å; F58-L65 HydrophobicContact CD1-CB 4.34Å; F58-L65 HydrophobicContact CD1-CD1 4.11Å; F58-L65 HydrophobicContact CD1-CG 4.47Å; F58-L65 PolarHBondContact N-O 3.26Å; F58-L65 PolarHBondContact O-N 3.24Å; F58-I71 HydrophobicContact CB-CD1 3.6Å; F58-I71 HydrophobicContact CB-CG1 3.9Å; F58-I71 HydrophobicContact CB-CG2 3.77Å; F58-I71 HydrophobicContact CD1-CG2 4.01Å; F58-I71 HydrophobicContact CD2-CG2 3.76Å; F58-I71 HydrophobicContact CE2-CG2 4.31Å; F58-I71 HydrophobicContact CG-CG1 4.49Å; F58-I71 HydrophobicContact CG-CG2 3.58Å; F58-Y74 AromaticContact CE1-CD1 3.83Å; F58-Y74 HydrophobicContact CE1-CD1 3.83Å; F58-Y74 AromaticContact CE1-CE1 3.66Å; F58-Y74 HydrophobicContact CE1-CE1 3.66Å; F58-Y74 HydrophobicContact CZ-CD1 4.38Å; F58-Y74 HydrophobicContact CZ-CE1 4.21Å; F58-I75 HydrophobicContact CE2-CD1 4.21Å; F58-I75 HydrophobicContact CE2-CG1 4.39Å; F58-I75 HydrophobicContact CZ-CD1 4.47Å; F58-I75 HydrophobicContact CZ-CG1 4.17Å
59E98.6Very high98.3Very high45 Ų4550.9 Ų50.921%0.2127%0.274CS..EExtended strand (participates in β ladder)trans-126.9135.4174.3-73.5171-171.800111A4 K5 Y7 R49 L63 T64A4-E59 CarbonylContact C-O 3.59Å; A4-E59 WeakPolarHBondContact CA-O 3.34Å; K5-E59 HydrophobicContact CB-CB 4.34Å; K5-E59 PolarHBondContact N-O 2.88Å; K5-E59 PolarHBondContact O-N 2.52Å; Y7-E59 HydrophobicContact CE2-CB 4.02Å; Y7-E59 VanDerWaalsContact CE2-CD 3.41Å; Y7-E59 HydrophobicContact CE2-CG 3.69Å; Y7-E59 WeakPolarHBondContact CE2-OE2 3.45Å; Y7-E59 PolarHBondContact OH-OE1 3.24Å; Y7-E59 PolarHBondContact OH-OE2 3.31Å; R49-E59 WeakPolarHBondContact CD-OE1 3.38Å; R49-E59 IonicContact CZ-OE1 2.68Å; R49-E59 IonicContact NE-OE1 2.78Å; R49-E59 PolarHBondContact NE-OE1 2.85Å; R49-E59 IonicContact NH2-OE1 2.77Å; E59-L63 WeakPolarHBondContact CA-O 3.42Å; E59-T64 HydrophobicContact CG-CG2 4.22Å
60D98.2Very high98.3Very high23 Ų2351 Ų5112%0.12329%0.285CS..EExtended strand (participates in β ladder)trans-141.297.4175.8-173-2.7000109.4A4 F58 D62 L63 Y74 K78A4-D60 HydrophobicContact CB-CB 4.5Å; F58-D60 HydrophobicContact CD1-CB 4.45Å; F58-D60 HydrophobicContact CE1-CB 3.58Å; F58-D60 HydrophobicContact CZ-CB 4.04Å; D60-D62 PolarHBondContact O-N 2.58Å; D60-L63 PolarHBondContact N-O 3.14Å; D60-L63 WeakPolarHBondContact O-CB 3.48Å; D60-L63 PolarHBondContact O-N 3.03Å; D60-L63 VanDerWaalsContact O-N 3.17Å; D60-Y74 HydrophobicContact CB-CE1 4.27Å; D60-Y74 WeakPolarHBondContact OD2-CE1 3.41Å; D60-Y74 PolarHBondContact OD2-OH 2.89Å; D60-K78 IonicContact OD1-NZ 3.1Å; D60-K78 PolarHBondContact OD1-NZ 3.47Å; D60-K78 WeakPolarHBondContact OD2-CD 3.3Å; D60-K78 WeakPolarHBondContact OD2-CE 3.47Å; D60-K78 IonicContact OD2-NZ 2.72Å; D60-K78 PolarHBondContact OD2-NZ 2.88Å
61G96.4Very high98.3Very high70 Ų7050.9 Ų50.972%0.72228%0.284SS*.THydrogen-bonded Turntrans60.6-125.6-164.900000110.8L63G61-L63 VanDerWaalsContact C-N 3.33Å
62D96.3Very high98.3Very high173 Ų17346.6 Ų46.693%0.92526%0.257SS*.THydrogen-bonded Turntrans-84.8-6179.5-58.5-41.3000113.3D60D60-D62 PolarHBondContact O-N 2.58Å
63L98.2Very high98.4Very high69 Ų6942.5 Ų42.536%0.36124%0.239SC..EExtended strand (participates in β ladder)trans-85.3121.2-179.3-17665.1000110.4E59 D60 G61 L65 Y74E59-L63 WeakPolarHBondContact CA-O 3.42Å; D60-L63 PolarHBondContact N-O 3.14Å; D60-L63 WeakPolarHBondContact O-CB 3.48Å; D60-L63 PolarHBondContact O-N 3.03Å; D60-L63 VanDerWaalsContact O-N 3.17Å; G61-L63 VanDerWaalsContact C-N 3.33Å; L63-L65 HydrophobicContact CD1-CD2 3.99Å; L63-L65 HydrophobicContact CD1-CG 4.5Å; L63-L65 HydrophobicContact CD2-CD1 4.02Å; L63-L65 HydrophobicContact CD2-CD2 4.21Å; L63-L65 HydrophobicContact CD2-CG 4.15Å; L63-L65 HydrophobicContact CG-CD1 4.41Å; L63-L65 HydrophobicContact CG-CD2 4.01Å; L63-L65 HydrophobicContact CG-CG 3.99Å; L63-Y74 HydrophobicContact CD2-CD2 4.04Å; L63-Y74 HydrophobicContact CD2-CE1 4.43Å; L63-Y74 HydrophobicContact CD2-CE2 3.39Å
64T98.5Very high98.4Very high62 Ų6245.4 Ų45.438%0.3825%0.249SC..EExtended strand (participates in β ladder)trans-110.4129.1172.1-55.20000110.3R49 F58 E59R49-T64 HydrophobicContact CB-CG2 3.87Å; R49-T64 HydrophobicContact CG-CG2 4.26Å; F58-T64 CarbonylContact O-C 3.29Å; F58-T64 WeakPolarHBondContact O-CA 3.48Å; E59-T64 HydrophobicContact CG-CG2 4.22Å
65L98.9Very high98.4Very high42 Ų4240.8 Ų40.822%0.2223%0.228CC..EExtended strand (participates in β ladder)trans-128.5155.6-177.9-58.8177.3000111.2A57 F58 L63 I71 Y74A57-L65 CarbonylContact C-O 3.6Å; A57-L65 WeakPolarHBondContact CA-O 3.2Å; F58-L65 HydrophobicContact CB-CB 4.38Å; F58-L65 HydrophobicContact CD1-CB 4.34Å; F58-L65 HydrophobicContact CD1-CD1 4.11Å; F58-L65 HydrophobicContact CD1-CG 4.47Å; F58-L65 PolarHBondContact N-O 3.26Å; F58-L65 PolarHBondContact O-N 3.24Å; L63-L65 HydrophobicContact CD1-CD2 3.99Å; L63-L65 HydrophobicContact CD1-CG 4.5Å; L63-L65 HydrophobicContact CD2-CD1 4.02Å; L63-L65 HydrophobicContact CD2-CD2 4.21Å; L63-L65 HydrophobicContact CD2-CG 4.15Å; L63-L65 HydrophobicContact CG-CD1 4.41Å; L63-L65 HydrophobicContact CG-CD2 4.01Å; L63-L65 HydrophobicContact CG-CG 3.99Å; L65-I71 HydrophobicContact CB-CD1 4.36Å; L65-I71 HydrophobicContact CB-CG1 3.68Å; L65-I71 HydrophobicContact CD1-CG1 4.48Å; L65-Y74 HydrophobicContact CD1-CD1 3.81Å; L65-Y74 HydrophobicContact CD1-CD2 4.06Å; L65-Y74 HydrophobicContact CD1-CE1 4.43Å; L65-Y74 HydrophobicContact CD1-CG 3.6Å
66F98.7Very high98.5Very high71 Ų7140 Ų4031%0.31122%0.223SC..EExtended strand (participates in β ladder)trans-137.8179.416862.8-86.5000108.8N50 P51 F52N50-F66 HydrophobicContact CB-CB 3.83Å; N50-F66 HydrophobicContact CB-CG 4.35Å; P51-F66 HydrophobicContact CG-CE1 4.36Å; P51-F66 HydrophobicContact CG-CZ 4.4Å; F52-F66 HydrophobicContact CD2-CD2 4.25Å; F52-F66 AromaticContact CD2-CE2 3.82Å; F52-F66 HydrophobicContact CD2-CE2 3.82Å; F52-F66 HydrophobicContact CD2-CZ 4.49Å; F52-F66 HydrophobicContact CE2-CD2 4.48Å; F52-F66 AromaticContact CE2-CE2 3.63Å; F52-F66 HydrophobicContact CE2-CE2 3.63Å; F52-F66 HydrophobicContact CE2-CZ 4.11Å
67E98.6Very high98.5Very high89 Ų8945.7 Ų45.742%0.41624%0.244SC..  trans67.5110.3-166.6-70.3-60.6150.100113.8R69 A70 I71E67-R69 VanDerWaalsContact C-N 3.31Å; E67-R69 PolarHBondContact O-N 2.86Å; E67-A70 HydrophobicContact CB-CB 3.93Å; E67-A70 WeakPolarHBondContact O-CB 3.45Å; E67-A70 PolarHBondContact O-N 3.37Å; E67-I71 WeakPolarHBondContact O-CG1 3.48Å; E67-I71 PolarHBondContact O-N 3.34Å
68S98.8Very high98.4Very high2 Ų250.3 Ų50.31%0.01426%0.264CS..Hα-helixtrans-58.9-38.6-171.360.50000113.3N14 R17 S72N14-S68 VanDerWaalsContact O-CB 3.23Å; N14-S68 WeakPolarHBondContact O-CB 3.18Å; N14-S68 PolarHBondContact OD1-OG 2.71Å; R17-S68 PolarHBondContact NH1-OG 2.88Å; S68-S72 WeakPolarHBondContact O-CB 3.25Å; S68-S72 PolarHBondContact O-N 2.98Å; S68-S72 PolarHBondContact O-OG 3.06Å
69R98.6Very high98.4Very high28 Ų2854.2 Ų54.211%0.10628%0.282CS..Hα-helixtrans-70.8-35.6177.3-63.5178.9-177.789.31.1112.2R17 E67 K73 E102 S103 D107R17-R69 VanDerWaalsContact CZ-NH2 3.35Å; E67-R69 VanDerWaalsContact C-N 3.31Å; E67-R69 PolarHBondContact O-N 2.86Å; R69-K73 WeakPolarHBondContact O-CG 3.39Å; R69-K73 PolarHBondContact O-N 3.36Å; R69-E102 IonicContact CZ-OE1 3.72Å; R69-E102 IonicContact CZ-OE2 3.83Å; R69-E102 IonicContact NE-OE2 3.63Å; R69-E102 PolarHBondContact NE-OE2 3.34Å; R69-E102 IonicContact NH2-OE1 2.83Å; R69-E102 PolarHBondContact NH2-OE1 3.17Å; R69-E102 IonicContact NH2-OE2 3.98Å; R69-E102 PolarHBondContact NH2-OE2 2.96Å; R69-S103 PolarHBondContact NH1-OG 3.43Å; R69-D107 IonicContact CZ-OD2 2.81Å; R69-D107 IonicContact NH1-OD2 2.67Å; R69-D107 IonicContact NH2-OD2 2.7Å; R69-D107 PolarHBondContact NH2-OD2 3.42Å
70A98.8Very high98.3Very high49 Ų4955.4 Ų55.441%0.40531%0.306SS..Hα-helixtrans-68.2-45.3175.800000111E67 S72 K73 Y74E67-A70 HydrophobicContact CB-CB 3.93Å; E67-A70 WeakPolarHBondContact O-CB 3.45Å; E67-A70 PolarHBondContact O-N 3.37Å; A70-S72 VanDerWaalsContact C-N 3.34Å; A70-S72 PolarHBondContact O-N 3.46Å; A70-K73 PolarHBondContact O-N 3.29Å; A70-Y74 PolarHBondContact O-N 3.16Å
71I98.9Very high98.3Very high0 Ų055.8 Ų55.80%031%0.311CS..Hα-helixtrans-61.1-43.5175.1-64160.8000110.9I18 P56 F58 L65 E67 K73 Y74 I75I18-I71 HydrophobicContact CD1-CB 3.87Å; I18-I71 HydrophobicContact CD1-CD1 3.55Å; I18-I71 HydrophobicContact CD1-CG1 4.31Å; I18-I71 HydrophobicContact CD1-CG2 3.66Å; I18-I71 HydrophobicContact CG1-CB 4.08Å; I18-I71 HydrophobicContact CG1-CG2 3.84Å; I18-I71 HydrophobicContact CG2-CG2 3.94Å; P56-I71 HydrophobicContact CG-CD1 4.37Å; F58-I71 HydrophobicContact CB-CD1 3.6Å; F58-I71 HydrophobicContact CB-CG1 3.9Å; F58-I71 HydrophobicContact CB-CG2 3.77Å; F58-I71 HydrophobicContact CD1-CG2 4.01Å; F58-I71 HydrophobicContact CD2-CG2 3.76Å; F58-I71 HydrophobicContact CE2-CG2 4.31Å; F58-I71 HydrophobicContact CG-CG1 4.49Å; F58-I71 HydrophobicContact CG-CG2 3.58Å; L65-I71 HydrophobicContact CB-CD1 4.36Å; L65-I71 HydrophobicContact CB-CG1 3.68Å; L65-I71 HydrophobicContact CD1-CG1 4.48Å; E67-I71 WeakPolarHBondContact O-CG1 3.48Å; E67-I71 PolarHBondContact O-N 3.34Å; I71-K73 PolarHBondContact O-N 3.26Å; I71-Y74 WeakPolarHBondContact O-CB 3.38Å; I71-Y74 PolarHBondContact O-N 2.7Å; I71-Y74 VanDerWaalsContact O-N 3.14Å; I71-I75 HydrophobicContact CG2-CD1 3.74Å; I71-I75 HydrophobicContact CG2-CG1 4.42Å; I71-I75 WeakPolarHBondContact O-CD1 3.35Å; I71-I75 WeakPolarHBondContact O-CG1 3.23Å; I71-I75 PolarHBondContact O-N 2.75Å
72S98.8Very high98.4Very high0 Ų056.6 Ų56.60%030%0.299CS..Hα-helixtrans-57.7-48.1176.5-60.20000111.5C21 S68 A70 Y74 I75 L76C21-S72 VanDerWaalsContact SG-CB 3.58Å; S68-S72 WeakPolarHBondContact O-CB 3.25Å; S68-S72 PolarHBondContact O-N 2.98Å; S68-S72 PolarHBondContact O-OG 3.06Å; A70-S72 VanDerWaalsContact C-N 3.34Å; A70-S72 PolarHBondContact O-N 3.46Å; S72-Y74 VanDerWaalsContact C-N 3.33Å; S72-Y74 PolarHBondContact O-N 3.5Å; S72-I75 PolarHBondContact O-N 2.87Å; S72-L76 WeakPolarHBondContact O-CG 3.46Å; S72-L76 PolarHBondContact O-N 2.93Å
73K98.9Very high98.5Very high47 Ų4749 Ų4920%0.20426%0.258CS..Hα-helixtrans-60.5-40.4175.1-72-171.7-71.3-164.40112.4R69 A70 I71 L76 R77 L84 L99 L164R69-K73 WeakPolarHBondContact O-CG 3.39Å; R69-K73 PolarHBondContact O-N 3.36Å; A70-K73 PolarHBondContact O-N 3.29Å; I71-K73 PolarHBondContact O-N 3.26Å; K73-L76 PolarHBondContact O-N 3.11Å; K73-R77 WeakPolarHBondContact O-CB 3.32Å; K73-R77 VanDerWaalsContact O-CG 3.24Å; K73-R77 WeakPolarHBondContact O-CG 3.4Å; K73-R77 PolarHBondContact O-N 3.4Å; K73-L84 HydrophobicContact CG-CD2 4.02Å; K73-L99 HydrophobicContact CD-CD2 4.29Å; K73-L164 HydrophobicContact CG-CD2 3.63Å
74Y98.8Very high98.5Very high62 Ų6246.1 Ų46.124%0.24324%0.243CC..Hα-helixtrans-58.8-49.9175.4168.6-96.1000111.9F58 D60 L63 L65 A70 I71 S72 L76 R77 K78F58-Y74 AromaticContact CE1-CD1 3.83Å; F58-Y74 HydrophobicContact CE1-CD1 3.83Å; F58-Y74 AromaticContact CE1-CE1 3.66Å; F58-Y74 HydrophobicContact CE1-CE1 3.66Å; F58-Y74 HydrophobicContact CZ-CD1 4.38Å; F58-Y74 HydrophobicContact CZ-CE1 4.21Å; D60-Y74 HydrophobicContact CB-CE1 4.27Å; D60-Y74 WeakPolarHBondContact OD2-CE1 3.41Å; D60-Y74 PolarHBondContact OD2-OH 2.89Å; L63-Y74 HydrophobicContact CD2-CD2 4.04Å; L63-Y74 HydrophobicContact CD2-CE1 4.43Å; L63-Y74 HydrophobicContact CD2-CE2 3.39Å; L65-Y74 HydrophobicContact CD1-CD1 3.81Å; L65-Y74 HydrophobicContact CD1-CD2 4.06Å; L65-Y74 HydrophobicContact CD1-CE1 4.43Å; L65-Y74 HydrophobicContact CD1-CG 3.6Å; A70-Y74 PolarHBondContact O-N 3.16Å; I71-Y74 WeakPolarHBondContact O-CB 3.38Å; I71-Y74 PolarHBondContact O-N 2.7Å; I71-Y74 VanDerWaalsContact O-N 3.14Å; S72-Y74 VanDerWaalsContact C-N 3.33Å; S72-Y74 PolarHBondContact O-N 3.5Å; Y74-L76 PolarHBondContact O-N 3.14Å; Y74-R77 PolarHBondContact O-N 3.03Å; Y74-K78 HydrophobicContact CE1-CD 4.05Å; Y74-K78 VanDerWaalsContact O-CB 3.3Å; Y74-K78 WeakPolarHBondContact O-CB 3.41Å; Y74-K78 PolarHBondContact O-N 2.86Å
75I98.7Very high98.5Very high3 Ų345.4 Ų45.42%0.01523%0.233CC..Hα-helixtrans-58.1-50.3179.7-69.1156.1000110.4I18 C21 L22 V25 F58 I71 S72 R77 K78 H79I18-I75 HydrophobicContact CG2-CD1 3.66Å; C21-I75 HydrophobicContact CB-CD1 4.49Å; C21-I75 HydrophobicContact CB-CG2 4.26Å; L22-I75 HydrophobicContact CD1-CD1 4.4Å; L22-I75 HydrophobicContact CD2-CD1 3.79Å; L22-I75 HydrophobicContact CD2-CG1 3.93Å; L22-I75 HydrophobicContact CD2-CG2 3.96Å; L22-I75 HydrophobicContact CG-CD1 3.77Å; L22-I75 HydrophobicContact CG-CG1 4.43Å; L22-I75 HydrophobicContact CG-CG2 4.39Å; V25-I75 HydrophobicContact CG2-CG2 3.71Å; F58-I75 HydrophobicContact CE2-CD1 4.21Å; F58-I75 HydrophobicContact CE2-CG1 4.39Å; F58-I75 HydrophobicContact CZ-CD1 4.47Å; F58-I75 HydrophobicContact CZ-CG1 4.17Å; I71-I75 HydrophobicContact CG2-CD1 3.74Å; I71-I75 HydrophobicContact CG2-CG1 4.42Å; I71-I75 WeakPolarHBondContact O-CD1 3.35Å; I71-I75 WeakPolarHBondContact O-CG1 3.23Å; I71-I75 PolarHBondContact O-N 2.75Å; S72-I75 PolarHBondContact O-N 2.87Å; I75-R77 PolarHBondContact O-N 3.41Å; I75-K78 PolarHBondContact O-N 3.36Å; I75-H79 PolarHBondContact O-CD2 2.87Å; I75-H79 VanDerWaalsContact O-CD2 3.24Å; I75-H79 PolarHBondContact O-N 2.92Å; I75-H79 VanDerWaalsContact O-N 3.16Å
76L98.8Very high98.5Very high0 Ų048.5 Ų48.50%025%0.247CC..Hα-helixtrans-62.5-42.4-178.4-65.2-176.8000112C21 V25 S72 K73 Y74 H79 G80 S81 L83 L84 L164C21-L76 HydrophobicContact CB-CD2 4.28Å; V25-L76 HydrophobicContact CG1-CD2 3.71Å; S72-L76 WeakPolarHBondContact O-CG 3.46Å; S72-L76 PolarHBondContact O-N 2.93Å; K73-L76 PolarHBondContact O-N 3.11Å; Y74-L76 PolarHBondContact O-N 3.14Å; L76-H79 PolarHBondContact O-N 3.38Å; L76-G80 PolarHBondContact O-N 3.48Å; L76-G80 VanDerWaalsContact O-N 3.14Å; L76-S81 WeakPolarHBondContact O-CB 3.45Å; L76-S81 PolarHBondContact O-N 2.84Å; L76-L83 HydrophobicContact CD1-CB 3.85Å; L76-L83 HydrophobicContact CD1-CD1 4.38Å; L76-L83 HydrophobicContact CD2-CB 4.41Å; L76-L83 HydrophobicContact CD2-CD1 3.82Å; L76-L84 HydrophobicContact CB-CD1 3.81Å; L76-L84 HydrophobicContact CB-CG 4Å; L76-L84 HydrophobicContact CD1-CD2 4.02Å; L76-L84 HydrophobicContact CD1-CG 3.98Å; L76-L164 HydrophobicContact CD1-CB 3.87Å; L76-L164 HydrophobicContact CD1-CD1 3.93Å; L76-L164 HydrophobicContact CD1-CD2 4.03Å; L76-L164 HydrophobicContact CD1-CG 4.13Å
77R98.6Very high98.5Very high124 Ų12450.4 Ų50.447%0.46827%0.269SS..Hα-helixtrans-64-48.6175.5-74.7173.9176.2147.22.6112.6K73 Y74 I75 H79 G80 L84 E86K73-R77 WeakPolarHBondContact O-CB 3.32Å; K73-R77 VanDerWaalsContact O-CG 3.24Å; K73-R77 WeakPolarHBondContact O-CG 3.4Å; K73-R77 PolarHBondContact O-N 3.4Å; Y74-R77 PolarHBondContact O-N 3.03Å; I75-R77 PolarHBondContact O-N 3.41Å; R77-H79 PolarHBondContact O-N 3.03Å; R77-H79 VanDerWaalsContact O-N 3.16Å; R77-G80 PolarHBondContact O-N 3.34Å; R77-L84 HydrophobicContact CG-CD1 3.59Å; R77-E86 WeakPolarHBondContact CG-OE2 3.4Å; R77-E86 IonicContact CZ-OE1 2.85Å; R77-E86 IonicContact NE-OE1 3.87Å; R77-E86 PolarHBondContact NE-OE1 2.87Å; R77-E86 IonicContact NE-OE2 2.78Å; R77-E86 IonicContact NH2-OE1 2.67Å; R77-E86 PolarHBondContact NH2-OE1 3.4Å
78K98.1Very high98.5Very high97 Ų9749 Ų4942%0.42226%0.264SS..Hα-helixtrans-55.1-35.9-179.6175.2-176.1177.9-176.20111.2D60 Y74 I75D60-K78 IonicContact OD1-NZ 3.1Å; D60-K78 PolarHBondContact OD1-NZ 3.47Å; D60-K78 WeakPolarHBondContact OD2-CD 3.3Å; D60-K78 WeakPolarHBondContact OD2-CE 3.47Å; D60-K78 IonicContact OD2-NZ 2.72Å; D60-K78 PolarHBondContact OD2-NZ 2.88Å; Y74-K78 HydrophobicContact CE1-CD 4.05Å; Y74-K78 VanDerWaalsContact O-CB 3.3Å; Y74-K78 WeakPolarHBondContact O-CB 3.41Å; Y74-K78 PolarHBondContact O-N 2.86Å; I75-K78 PolarHBondContact O-N 3.36Å
79H97.9Very high98.4Very high83 Ų8356 Ų5638%0.38430%0.3SS..THydrogen-bonded Turntrans-98.16.5-177.3-70-108.5000114V25 I75 L76 R77 S81V25-H79 HydrophobicContact CB-CB 3.67Å; V25-H79 HydrophobicContact CG1-CB 3.9Å; V25-H79 HydrophobicContact CG2-CB 3.97Å; I75-H79 PolarHBondContact O-CD2 2.87Å; I75-H79 VanDerWaalsContact O-CD2 3.24Å; I75-H79 PolarHBondContact O-N 2.92Å; I75-H79 VanDerWaalsContact O-N 3.16Å; L76-H79 PolarHBondContact O-N 3.38Å; R77-H79 PolarHBondContact O-N 3.03Å; R77-H79 VanDerWaalsContact O-N 3.16Å; H79-S81 VanDerWaalsContact C-N 3.27Å; H79-S81 PolarHBondContact O-N 3.24Å
80G97.2Very high98.4Very high69 Ų6958.8 Ų58.871%0.71132%0.324SS*.THydrogen-bonded Turntrans62.631.8178.500000113.9L76 R77L76-G80 PolarHBondContact O-N 3.48Å; L76-G80 VanDerWaalsContact O-N 3.14Å; R77-G80 PolarHBondContact O-N 3.34Å
81S98.1Very high98.4Very high32 Ų3258.5 Ų58.522%0.22432%0.315CS..  trans-71.2135.2-179.7-178.20000111.8L76 H79 L83L76-S81 WeakPolarHBondContact O-CB 3.45Å; L76-S81 PolarHBondContact O-N 2.84Å; H79-S81 VanDerWaalsContact C-N 3.27Å; H79-S81 PolarHBondContact O-N 3.24Å; S81-L83 PolarHBondContact O-N 3.47Å; S81-L83 WeakPolarHBondContact OG-CB 3.49Å; S81-L83 WeakPolarHBondContact OG-CG 3.2Å; S81-L83 PolarHBondContact OG-N 2.87Å
82D98.2Very high98.4Very high87 Ų8759.4 Ų59.447%0.46532%0.321SS..G310 helixtrans-77.5-1.5176.2-165.835.5000113.2L84 R85D82-L84 PolarHBondContact O-N 3.42Å; D82-R85 VanDerWaalsContact CG-NH1 3.29Å; D82-R85 WeakPolarHBondContact O-CD 3.38Å; D82-R85 WeakPolarHBondContact O-CG 3.38Å; D82-R85 PolarHBondContact O-N 3.31Å; D82-R85 IonicContact OD1-NH1 2.71Å; D82-R85 PolarHBondContact OD1-NH1 3.25Å; D82-R85 VanDerWaalsContact OD1-NH1 3.12Å; D82-R85 IonicContact OD2-CZ 2.7Å; D82-R85 IonicContact OD2-NH1 3.61Å; D82-R85 PolarHBondContact OD2-NH1 3.02Å
83L98.7Very high98.4Very high14 Ų1461.5 Ų61.57%0.07334%0.339CS..G310 helixtrans-62.2-15.3176.8-73.2173.9000113.8E24 L76 S81 I162 S163 L164 I167E24-L83 HydrophobicContact CB-CD1 3.99Å; E24-L83 HydrophobicContact CG-CD1 3.99Å; L76-L83 HydrophobicContact CD1-CB 3.85Å; L76-L83 HydrophobicContact CD1-CD1 4.38Å; L76-L83 HydrophobicContact CD2-CB 4.41Å; L76-L83 HydrophobicContact CD2-CD1 3.82Å; S81-L83 PolarHBondContact O-N 3.47Å; S81-L83 WeakPolarHBondContact OG-CB 3.49Å; S81-L83 WeakPolarHBondContact OG-CG 3.2Å; S81-L83 PolarHBondContact OG-N 2.87Å; L83-I162 HydrophobicContact CD2-CG2 4.02Å; L83-S163 CarbonylContact O-C 3.56Å; L83-S163 WeakPolarHBondContact O-CA 3.44Å; L83-S163 WeakPolarHBondContact O-CB 3.4Å; L83-L164 PolarHBondContact O-N 3.15Å; L83-I167 HydrophobicContact CD1-CD1 3.6Å; L83-I167 HydrophobicContact CD2-CD1 3.63Å; L83-I167 HydrophobicContact CG-CD1 4.25Å
84L98.8Very high98.4Very high8 Ų862.6 Ų62.64%0.04235%0.345CS..G310 helixtrans-98.2-13.7173.5-64.4176.9000113.5K73 L76 R77 D82 E86 S92 L164K73-L84 HydrophobicContact CG-CD2 4.02Å; L76-L84 HydrophobicContact CB-CD1 3.81Å; L76-L84 HydrophobicContact CB-CG 4Å; L76-L84 HydrophobicContact CD1-CD2 4.02Å; L76-L84 HydrophobicContact CD1-CG 3.98Å; R77-L84 HydrophobicContact CG-CD1 3.59Å; D82-L84 PolarHBondContact O-N 3.42Å; L84-E86 HydrophobicContact CB-CG 3.67Å; L84-E86 HydrophobicContact CD1-CG 4.42Å; L84-E86 PolarHBondContact O-N 2.95Å; L84-E86 VanDerWaalsContact O-N 3.13Å; L84-S92 WeakPolarHBondContact O-CB 3.34Å; L84-L164 HydrophobicContact CD2-CB 3.98Å; L84-L164 HydrophobicContact CD2-CD2 3.62Å; L84-L164 HydrophobicContact CD2-CG 4.44Å
85R98.6Very high98.4Very high47 Ų4759.7 Ų59.718%0.17733%0.334CS..  trans52.230.2-177.8-53.4-67.8-79.4153.6-8.8114.5D82 S87 N88 E91 S92 V95 F161D82-R85 VanDerWaalsContact CG-NH1 3.29Å; D82-R85 WeakPolarHBondContact O-CD 3.38Å; D82-R85 WeakPolarHBondContact O-CG 3.38Å; D82-R85 PolarHBondContact O-N 3.31Å; D82-R85 IonicContact OD1-NH1 2.71Å; D82-R85 PolarHBondContact OD1-NH1 3.25Å; D82-R85 VanDerWaalsContact OD1-NH1 3.12Å; D82-R85 IonicContact OD2-CZ 2.7Å; D82-R85 IonicContact OD2-NH1 3.61Å; D82-R85 PolarHBondContact OD2-NH1 3.02Å; R85-S87 PolarHBondContact O-N 3.24Å; R85-N88 PolarHBondContact O-N 2.98Å; R85-N88 VanDerWaalsContact O-O 3.11Å; R85-E91 HydrophobicContact CB-CB 3.79Å; R85-E91 HydrophobicContact CG-CB 4.14Å; R85-E91 IonicContact CZ-OE1 3.83Å; R85-E91 IonicContact CZ-OE2 3.16Å; R85-E91 IonicContact NE-OE1 3.77Å; R85-E91 IonicContact NE-OE2 2.86Å; R85-E91 PolarHBondContact NE-OE2 3.19Å; R85-E91 VanDerWaalsContact NE-OE2 3.1Å; R85-E91 IonicContact NH1-OE2 3.77Å; R85-E91 IonicContact NH2-OE1 3.68Å; R85-E91 PolarHBondContact NH2-OE1 2.98Å; R85-E91 IonicContact NH2-OE2 2.75Å; R85-E91 PolarHBondContact NH2-OE2 3.01Å; R85-S92 WeakPolarHBondContact O-CB 3.43Å; R85-V95 HydrophobicContact CB-CG2 4.46Å; R85-V95 HydrophobicContact CG-CG2 4.09Å; R85-F161 HydrophobicContact CG-CD2 3.79Å; R85-F161 HydrophobicContact CG-CE2 3.45Å; R85-F161 VanDerWaalsContact CG-CE2 3.45Å; R85-F161 HydrophobicContact CG-CZ 4.03Å
86E98Very high98.4Very high107 Ų10763 Ų6350%0.535%0.352SS..THydrogen-bonded Turntrans-62.5-17.5-171.6-62.1-166.713200114.3R77 L84 N88R77-E86 WeakPolarHBondContact CG-OE2 3.4Å; R77-E86 IonicContact CZ-OE1 2.85Å; R77-E86 IonicContact NE-OE1 3.87Å; R77-E86 PolarHBondContact NE-OE1 2.87Å; R77-E86 IonicContact NE-OE2 2.78Å; R77-E86 IonicContact NH2-OE1 2.67Å; R77-E86 PolarHBondContact NH2-OE1 3.4Å; L84-E86 HydrophobicContact CB-CG 3.67Å; L84-E86 HydrophobicContact CD1-CG 4.42Å; L84-E86 PolarHBondContact O-N 2.95Å; L84-E86 VanDerWaalsContact O-N 3.13Å; E86-N88 VanDerWaalsContact C-N 3.26Å; E86-N88 PolarHBondContact O-N 3.2Å
87S97.7Very high98.4Very high111 Ų11166.6 Ų66.678%0.77637%0.373SS*.THydrogen-bonded Turntrans-75.1-11.5172.755.50000114.2R85R85-S87 PolarHBondContact O-N 3.24Å
88N98.6Very high98.4Very high60 Ų6061.5 Ų61.532%0.32135%0.354SS..SBendtrans-127.7110.8178.7-178.1-28.5000110.6R85 E86 S90 E91 S92R85-N88 PolarHBondContact O-N 2.98Å; R85-N88 VanDerWaalsContact O-O 3.11Å; E86-N88 VanDerWaalsContact C-N 3.26Å; E86-N88 PolarHBondContact O-N 3.2Å; N88-S90 VanDerWaalsContact C-N 3.32Å; N88-S90 PolarHBondContact O-N 2.83Å; N88-S90 PolarHBondContact OD1-N 3.13Å; N88-E91 HydrophobicContact CB-CB 4.06Å; N88-E91 HydrophobicContact CB-CG 4.26Å; N88-E91 WeakPolarHBondContact CB-OE2 3.49Å; N88-E91 PolarHBondContact ND2-OE2 3.31Å; N88-E91 PolarHBondContact O-N 2.83Å; N88-E91 PolarHBondContact OD1-N 2.82Å; N88-S92 WeakPolarHBondContact O-CB 3.38Å; N88-S92 PolarHBondContact O-N 3.34Å; N88-S92 PolarHBondContact O-OG 3.12Å
89L98.5Very high98.5Very high147 Ų14756.9 Ų56.977%0.7733%0.334SS*.Hα-helixtrans-54.8-42.8-175.8-179.863.8000113.8S92 A93L89-S92 PolarHBondContact O-OG 3.28Å; L89-S92 VanDerWaalsContact O-OG 3.14Å; L89-A93 VanDerWaalsContact O-CB 3.25Å; L89-A93 WeakPolarHBondContact O-CB 3.43Å; L89-A93 PolarHBondContact O-N 3.31Å; L89-A93 VanDerWaalsContact O-N 3.11Å
90S98.5Very high98.5Very high87 Ų8758.2 Ų58.261%0.60834%0.34SS*.Hα-helixtrans-75-39.1-176.4-64.60000111.8N88 M94N88-S90 VanDerWaalsContact C-N 3.32Å; N88-S90 PolarHBondContact O-N 2.83Å; N88-S90 PolarHBondContact OD1-N 3.13Å; S90-M94 WeakPolarHBondContact O-CG 3.41Å; S90-M94 PolarHBondContact O-N 3.09Å; S90-M94 VanDerWaalsContact O-N 3.16Å
91E98.7Very high98.6Very high43 Ų4356.4 Ų56.420%0.20132%0.316CS..Hα-helixtrans-71.1-44.6178.1-67.5176.814000111.2R85 N88 A93 M94 V95 F161R85-E91 HydrophobicContact CB-CB 3.79Å; R85-E91 HydrophobicContact CG-CB 4.14Å; R85-E91 IonicContact CZ-OE1 3.83Å; R85-E91 IonicContact CZ-OE2 3.16Å; R85-E91 IonicContact NE-OE1 3.77Å; R85-E91 IonicContact NE-OE2 2.86Å; R85-E91 PolarHBondContact NE-OE2 3.19Å; R85-E91 VanDerWaalsContact NE-OE2 3.1Å; R85-E91 IonicContact NH1-OE2 3.77Å; R85-E91 IonicContact NH2-OE1 3.68Å; R85-E91 PolarHBondContact NH2-OE1 2.98Å; R85-E91 IonicContact NH2-OE2 2.75Å; R85-E91 PolarHBondContact NH2-OE2 3.01Å; N88-E91 HydrophobicContact CB-CB 4.06Å; N88-E91 HydrophobicContact CB-CG 4.26Å; N88-E91 WeakPolarHBondContact CB-OE2 3.49Å; N88-E91 PolarHBondContact ND2-OE2 3.31Å; N88-E91 PolarHBondContact O-N 2.83Å; N88-E91 PolarHBondContact OD1-N 2.82Å; E91-A93 VanDerWaalsContact C-N 3.28Å; E91-A93 PolarHBondContact O-N 3.37Å; E91-M94 PolarHBondContact O-N 3.07Å; E91-V95 WeakPolarHBondContact O-CG2 3.5Å; E91-V95 PolarHBondContact O-N 3.35Å; E91-F161 HydrophobicContact CB-CE1 4.02Å; E91-F161 HydrophobicContact CB-CZ 3.68Å; E91-F161 HydrophobicContact CG-CE1 3.65Å; E91-F161 HydrophobicContact CG-CZ 3.86Å; E91-F161 WeakPolarHBondContact OE1-CE1 3.43Å
92S98.6Very high98.6Very high20 Ų2054.9 Ų54.914%0.1431%0.305CS..Hα-helixtrans-60.1-39.6175.667.70000111.6L84 R85 N88 L89 M94 V95 D96L84-S92 WeakPolarHBondContact O-CB 3.34Å; R85-S92 WeakPolarHBondContact O-CB 3.43Å; N88-S92 WeakPolarHBondContact O-CB 3.38Å; N88-S92 PolarHBondContact O-N 3.34Å; N88-S92 PolarHBondContact O-OG 3.12Å; L89-S92 PolarHBondContact O-OG 3.28Å; L89-S92 VanDerWaalsContact O-OG 3.14Å; S92-M94 VanDerWaalsContact C-N 3.31Å; S92-M94 PolarHBondContact O-N 2.98Å; S92-V95 WeakPolarHBondContact O-CB 3.46Å; S92-V95 PolarHBondContact O-N 3.48Å; S92-D96 PolarHBondContact O-N 3.32Å
93A98.8Very high98.6Very high44 Ų4452.7 Ų52.736%0.36430%0.296SS..Hα-helixtrans-62-38.5174.900000112.1L89 E91 D96 V97L89-A93 VanDerWaalsContact O-CB 3.25Å; L89-A93 WeakPolarHBondContact O-CB 3.43Å; L89-A93 PolarHBondContact O-N 3.31Å; L89-A93 VanDerWaalsContact O-N 3.11Å; E91-A93 VanDerWaalsContact C-N 3.28Å; E91-A93 PolarHBondContact O-N 3.37Å; A93-D96 PolarHBondContact O-N 3.38Å; A93-V97 VanDerWaalsContact O-CG2 3.32Å; A93-V97 WeakPolarHBondContact O-CG2 3.35Å; A93-V97 PolarHBondContact O-N 2.77Å
94M98.8Very high98.4Very high70 Ų7055.5 Ų55.535%0.34532%0.317SS..Hα-helixtrans-69.8-35.8175.2-71.2-54.4-53.500112.6S90 E91 S92 D96 V97 W98 A158S90-M94 WeakPolarHBondContact O-CG 3.41Å; S90-M94 PolarHBondContact O-N 3.09Å; S90-M94 VanDerWaalsContact O-N 3.16Å; E91-M94 PolarHBondContact O-N 3.07Å; S92-M94 VanDerWaalsContact C-N 3.31Å; S92-M94 PolarHBondContact O-N 2.98Å; M94-D96 VanDerWaalsContact C-N 3.34Å; M94-V97 PolarHBondContact O-N 3Å; M94-W98 PolarHBondContact O-N 2.96Å; M94-W98 VanDerWaalsContact O-N 3.12Å; M94-A158 HydrophobicContact CB-CB 4.09Å; M94-A158 WeakPolarHBondContact CB-O 3.33Å
95V98.9Very high98.3Very high0 Ų060.6 Ų60.60%034%0.341CS..Hα-helixtrans-59.9-47.6171.2176.10000110.2R85 E91 S92 W98 L99 A158 F161 S163 L164 A165R85-V95 HydrophobicContact CB-CG2 4.46Å; R85-V95 HydrophobicContact CG-CG2 4.09Å; E91-V95 WeakPolarHBondContact O-CG2 3.5Å; E91-V95 PolarHBondContact O-N 3.35Å; S92-V95 WeakPolarHBondContact O-CB 3.46Å; S92-V95 PolarHBondContact O-N 3.48Å; V95-W98 PolarHBondContact O-N 2.65Å; V95-L99 VanDerWaalsContact O-CB 3.32Å; V95-L99 WeakPolarHBondContact O-CB 3.24Å; V95-L99 PolarHBondContact O-N 2.67Å; V95-A158 HydrophobicContact CG2-CB 3.82Å; V95-F161 HydrophobicContact CG2-CE2 3.94Å; V95-S163 VanDerWaalsContact CG2-CB 3.5Å; V95-L164 HydrophobicContact CG1-CB 4.42Å; V95-A165 HydrophobicContact CG1-CB 4.33Å
96D98.8Very high98.3Very high74 Ų7458.4 Ų58.440%0.39633%0.332SS..Hα-helixtrans-61.7-45.2178.7-74.1-25000111.8S92 A93 M94 W98 L99 E100S92-D96 PolarHBondContact O-N 3.32Å; A93-D96 PolarHBondContact O-N 3.38Å; M94-D96 VanDerWaalsContact C-N 3.34Å; D96-W98 PolarHBondContact O-N 2.84Å; D96-L99 PolarHBondContact O-N 3.29Å; D96-E100 WeakPolarHBondContact O-CG 3.29Å; D96-E100 PolarHBondContact O-N 3.48Å
97V98.8Very high98.3Very high74 Ų7454.1 Ų54.145%0.44831%0.313SS..Hα-helixtrans-55.4-51176.9165.60000111.1A93 M94 L99 E100 V101A93-V97 VanDerWaalsContact O-CG2 3.32Å; A93-V97 WeakPolarHBondContact O-CG2 3.35Å; A93-V97 PolarHBondContact O-N 2.77Å; M94-V97 PolarHBondContact O-N 3Å; V97-L99 VanDerWaalsContact C-N 3.35Å; V97-L99 PolarHBondContact O-N 3.41Å; V97-E100 PolarHBondContact O-N 2.71Å; V97-V101 HydrophobicContact CG1-CG2 4.45Å; V97-V101 VanDerWaalsContact O-CG2 3.29Å; V97-V101 WeakPolarHBondContact O-CG2 3.41Å; V97-V101 PolarHBondContact O-N 3.4Å
98W98.8Very high98.2Very high17 Ų1750.9 Ų50.96%0.06430%0.297CS..Hα-helixtrans-75.1-25.2-175.8-76.9102.2000113.4M94 V95 D96 V101 E102 V146 Y147 Q150 L157 A165M94-W98 PolarHBondContact O-N 2.96Å; M94-W98 VanDerWaalsContact O-N 3.12Å; V95-W98 PolarHBondContact O-N 2.65Å; D96-W98 PolarHBondContact O-N 2.84Å; W98-V101 HydrophobicContact CE3-CB 4.14Å; W98-V101 HydrophobicContact CE3-CG1 3.98Å; W98-V101 HydrophobicContact CZ3-CG1 3.98Å; W98-V101 PolarHBondContact O-N 3.38Å; W98-E102 WeakPolarHBondContact O-CB 3.47Å; W98-E102 PolarHBondContact O-N 3.12Å; W98-V146 HydrophobicContact CH2-CG1 4.44Å; W98-Y147 HydrophobicContact CE3-CE2 4.45Å; W98-Y147 AromaticContact CZ3-CD2 3.91Å; W98-Y147 HydrophobicContact CZ3-CD2 3.91Å; W98-Y147 HydrophobicContact CZ3-CE1 4.43Å; W98-Y147 AromaticContact CZ3-CE2 3.77Å; W98-Y147 HydrophobicContact CZ3-CE2 3.77Å; W98-Y147 HydrophobicContact CZ3-CG 4.34Å; W98-Q150 HydrophobicContact CH2-CB 3.54Å; W98-Q150 HydrophobicContact CH2-CG 3.63Å; W98-Q150 HydrophobicContact CZ2-CB 3.6Å; W98-Q150 HydrophobicContact CZ2-CG 3.2Å; W98-L157 HydrophobicContact CB-CB 3.9Å; W98-L157 HydrophobicContact CD2-CB 3.79Å; W98-L157 HydrophobicContact CD2-CD2 4.3Å; W98-L157 HydrophobicContact CD2-CG 4.46Å; W98-L157 HydrophobicContact CE3-CB 4.08Å; W98-L157 HydrophobicContact CE3-CD1 4.16Å; W98-L157 HydrophobicContact CE3-CD2 3.83Å; W98-L157 HydrophobicContact CE3-CG 4.25Å; W98-L157 HydrophobicContact CG-CB 3.68Å; W98-L157 HydrophobicContact CZ3-CD2 3.93Å; W98-L157 PolarHBondContact NE1-O 3.15Å; W98-A165 HydrophobicContact CB-CB 3.62Å
99L98.6Very high98.2Very high1 Ų148.1 Ų48.11%0.00528%0.282CS..Hα-helixtrans-68.6-39.2169.9-172.762.5000111.7K73 V95 D96 V97 E102 S103 L164 S168K73-L99 HydrophobicContact CD-CD2 4.29Å; V95-L99 VanDerWaalsContact O-CB 3.32Å; V95-L99 WeakPolarHBondContact O-CB 3.24Å; V95-L99 PolarHBondContact O-N 2.67Å; D96-L99 PolarHBondContact O-N 3.29Å; V97-L99 VanDerWaalsContact C-N 3.35Å; V97-L99 PolarHBondContact O-N 3.41Å; L99-E102 WeakPolarHBondContact O-CB 3.39Å; L99-E102 PolarHBondContact O-N 3.05Å; L99-S103 PolarHBondContact O-N 2.91Å; L99-L164 HydrophobicContact CD1-CG 4.27Å; L99-L164 HydrophobicContact CD2-CD2 3.87Å; L99-L164 HydrophobicContact CD2-CG 4.38Å; L99-S168 VanDerWaalsContact CD1-OG 3.25Å; L99-S168 WeakPolarHBondContact CD1-OG 3.28Å
100E98.6Very high98.2Very high110 Ų11041.1 Ų41.151%0.51425%0.245SC..Hα-helixtrans-70.2-36.8174.1-68.2-56.9129.400111.8D96 V97 S103 S104D96-E100 WeakPolarHBondContact O-CG 3.29Å; D96-E100 PolarHBondContact O-N 3.48Å; V97-E100 PolarHBondContact O-N 2.71Å; E100-S103 PolarHBondContact O-N 2.95Å; E100-S104 WeakPolarHBondContact O-CB 3.38Å; E100-S104 PolarHBondContact O-N 3.14Å; E100-S104 PolarHBondContact O-OG 2.97Å
101V98.6Very high98.1Very high32 Ų3239.5 Ų39.519%0.19423%0.234CC..Hα-helixtrans-63.6-41.3172.1173.10000111V97 W98 H105 F106 Y147V97-V101 HydrophobicContact CG1-CG2 4.45Å; V97-V101 VanDerWaalsContact O-CG2 3.29Å; V97-V101 WeakPolarHBondContact O-CG2 3.41Å; V97-V101 PolarHBondContact O-N 3.4Å; W98-V101 HydrophobicContact CE3-CB 4.14Å; W98-V101 HydrophobicContact CE3-CG1 3.98Å; W98-V101 HydrophobicContact CZ3-CG1 3.98Å; W98-V101 PolarHBondContact O-N 3.38Å; V101-H105 HydrophobicContact CG1-CB 4.33Å; V101-H105 WeakPolarHBondContact O-CB 3.37Å; V101-H105 PolarHBondContact O-N 3.44Å; V101-F106 PolarHBondContact O-N 3.07Å; V101-Y147 HydrophobicContact CG1-CE2 3.75Å
102E98.7Very high98Very high0 Ų039.4 Ų39.40%024%0.237CC..Iπ-helixtrans-56.4-52.1172.8-174.2-87.9147.700110.7R17 R69 W98 L99 S104 F106 D107 H169R17-E102 IonicContact CZ-OE1 3.68Å; R17-E102 IonicContact NH2-OE1 3.77Å; R17-E102 PolarHBondContact NH2-OE1 3.13Å; R17-E102 IonicContact NH2-OE2 2.81Å; R69-E102 IonicContact CZ-OE1 3.72Å; R69-E102 IonicContact CZ-OE2 3.83Å; R69-E102 IonicContact NE-OE2 3.63Å; R69-E102 PolarHBondContact NE-OE2 3.34Å; R69-E102 IonicContact NH2-OE1 2.83Å; R69-E102 PolarHBondContact NH2-OE1 3.17Å; R69-E102 IonicContact NH2-OE2 3.98Å; R69-E102 PolarHBondContact NH2-OE2 2.96Å; W98-E102 WeakPolarHBondContact O-CB 3.47Å; W98-E102 PolarHBondContact O-N 3.12Å; L99-E102 WeakPolarHBondContact O-CB 3.39Å; L99-E102 PolarHBondContact O-N 3.05Å; E102-S104 PolarHBondContact O-N 2.89Å; E102-F106 PolarHBondContact O-N 2.95Å; E102-D107 WeakPolarHBondContact O-CB 3.24Å; E102-D107 PolarHBondContact O-N 3.4Å; E102-H169 WeakPolarHBondContact CB-CE1 3.33Å; E102-H169 WeakPolarHBondContact CB-NE2 3.32Å; E102-H169 WeakPolarHBondContact CG-CE1 3.25Å; E102-H169 VanDerWaalsContact CG-NE2 3.32Å; E102-H169 WeakPolarHBondContact CG-NE2 3.48Å
103S97.7Very high98Very high41 Ų4138.5 Ų38.529%0.28723%0.231SC..Iπ-helixtrans-61.1-45.8-179.1-170.60000114R69 L99 E100R69-S103 PolarHBondContact NH1-OG 3.43Å; L99-S103 PolarHBondContact O-N 2.91Å; E100-S103 PolarHBondContact O-N 2.95Å
104S95.4Very high97.9Very high73 Ų7337 Ų3751%0.5122%0.216SC..Iπ-helixtrans-92.1-31.1-169.154.60000114.4E100 E102E100-S104 WeakPolarHBondContact O-CB 3.38Å; E100-S104 PolarHBondContact O-N 3.14Å; E100-S104 PolarHBondContact O-OG 2.97Å; E102-S104 PolarHBondContact O-N 2.89Å
105H97.4Very high97.8Very high115 Ų11537.7 Ų37.753%0.53222%0.218SC..Iπ-helixtrans-110.4-53.8-173.5-60.174.8000111.7V101 A109V101-H105 HydrophobicContact CG1-CB 4.33Å; V101-H105 WeakPolarHBondContact O-CB 3.37Å; V101-H105 PolarHBondContact O-N 3.44Å; H105-A109 WeakPolarHBondContact O-CB 3.44Å; H105-A109 PolarHBondContact O-N 3.31Å
106F98.3Very high97.7Very high0 Ų039.1 Ų39.10%022%0.224CC..Iπ-helixtrans-74.1-53.8-174.3-169.4-87.2000111.5V101 E102 G108 A109 M110 L140 L144 Y147 H169 T172 V173V101-F106 PolarHBondContact O-N 3.07Å; E102-F106 PolarHBondContact O-N 2.95Å; F106-G108 VanDerWaalsContact C-N 3.32Å; F106-G108 PolarHBondContact O-N 3.46Å; F106-A109 PolarHBondContact O-N 2.94Å; F106-A109 VanDerWaalsContact O-N 3.16Å; F106-M110 HydrophobicContact CD1-CG 3.88Å; F106-M110 HydrophobicContact CE1-CG 3.54Å; F106-M110 HydrophobicContact CZ-CG 4.03Å; F106-M110 WeakPolarHBondContact O-CB 3.42Å; F106-M110 PolarHBondContact O-N 2.99Å; F106-L140 HydrophobicContact CD2-CD1 4.16Å; F106-L140 HydrophobicContact CE2-CD1 3.88Å; F106-L140 HydrophobicContact CZ-CD1 4.34Å; F106-L144 HydrophobicContact CE2-CD2 3.92Å; F106-Y147 WeakPolarHBondContact CB-OH 3.39Å; F106-Y147 HydrophobicContact CD2-CE1 4.04Å; F106-H169 AromaticContact CD1-CD2 3.58Å; F106-H169 AromaticContact CE1-CD2 3.93Å; F106-H169 AromaticContact CG-CD2 3.64Å; F106-T172 WeakPolarHBondContact CE1-OG1 3.42Å; F106-V173 HydrophobicContact CE1-CG2 4.12Å; F106-V173 HydrophobicContact CZ-CG2 3.89Å
107D97.4Very high97.5Very high18 Ų1836.9 Ų36.910%0.09622%0.215CC..Hα-helixtrans-64.3-37.6178.2-170.127.7000111.4R69 E102 A109 M110 S111R69-D107 IonicContact CZ-OD2 2.81Å; R69-D107 IonicContact NH1-OD2 2.67Å; R69-D107 IonicContact NH2-OD2 2.7Å; R69-D107 PolarHBondContact NH2-OD2 3.42Å; E102-D107 WeakPolarHBondContact O-CB 3.24Å; E102-D107 PolarHBondContact O-N 3.4Å; D107-A109 VanDerWaalsContact C-N 3.27Å; D107-A109 PolarHBondContact O-N 2.91Å; D107-M110 PolarHBondContact O-N 3.47Å; D107-S111 WeakPolarHBondContact O-CB 3.34Å; D107-S111 PolarHBondContact O-N 2.92Å; D107-S111 PolarHBondContact O-OG 3.48Å; D107-S111 PolarHBondContact OD1-OG 3.22Å
108G96.1Very high97.3Very high42 Ų4233.7 Ų33.743%0.43320%0.195SC..Hα-helixtrans-59.6-33.7173.500000113.9F106 P112F106-G108 VanDerWaalsContact C-N 3.32Å; F106-G108 PolarHBondContact O-N 3.46Å; G108-P112 WeakPolarHBondContact O-CD 3.46Å
109A97.8Very high97Very high2 Ų235.4 Ų35.42%0.01721%0.205CC..Hα-helixtrans-83.5-36.9174.200000112.7H105 F106 D107 S136 K139 L140H105-A109 WeakPolarHBondContact O-CB 3.44Å; H105-A109 PolarHBondContact O-N 3.31Å; F106-A109 PolarHBondContact O-N 2.94Å; F106-A109 VanDerWaalsContact O-N 3.16Å; D107-A109 VanDerWaalsContact C-N 3.27Å; D107-A109 PolarHBondContact O-N 2.91Å; A109-S136 WeakPolarHBondContact O-CB 3.32Å; A109-K139 HydrophobicContact CB-CB 3.88Å; A109-L140 HydrophobicContact CB-CB 4.05Å
110M98.1Very high96.8Very high0 Ų036.1 Ų36.10%021%0.209CC..Hα-helixtrans-77.3-38.5-176.8-81.5-55.8-49.300113.9F106 D107 I113 I114 L140 T172 L176F106-M110 HydrophobicContact CD1-CG 3.88Å; F106-M110 HydrophobicContact CE1-CG 3.54Å; F106-M110 HydrophobicContact CZ-CG 4.03Å; F106-M110 WeakPolarHBondContact O-CB 3.42Å; F106-M110 PolarHBondContact O-N 2.99Å; D107-M110 PolarHBondContact O-N 3.47Å; M110-I113 WeakPolarHBondContact O-CB 3.45Å; M110-I113 PolarHBondContact O-N 3.15Å; M110-I113 HydrophobicContact SD-CD1 4.19Å; M110-I114 HydrophobicContact CB-CD1 4.41Å; M110-I114 HydrophobicContact CE-CD1 3.98Å; M110-I114 HydrophobicContact CE-CG1 3.88Å; M110-I114 WeakPolarHBondContact O-CG1 3.35Å; M110-I114 PolarHBondContact O-N 3.49Å; M110-L140 HydrophobicContact CG-CD1 4.09Å; M110-L140 HydrophobicContact SD-CD1 3.94Å; M110-L140 HydrophobicContact SD-CD2 3.59Å; M110-L140 VanDerWaalsContact SD-CD2 3.59Å; M110-L140 HydrophobicContact SD-CG 4.38Å; M110-T172 HydrophobicContact CB-CG2 4.29Å; M110-L176 HydrophobicContact CE-CB 3.65Å; M110-L176 HydrophobicContact CE-CD1 4.13Å; M110-L176 HydrophobicContact CE-CG 4.3Å; M110-L176 HydrophobicContact SD-CB 4.3Å; M110-L176 HydrophobicContact SD-CD1 4.21Å; M110-L176 HydrophobicContact SD-CD2 4.09Å; M110-L176 HydrophobicContact SD-CG 4.43Å
111S97.2Very high96.6Very high53 Ų5333.5 Ų33.537%0.37120%0.201SC..Hα-helixtrans-55.8-44.9-174.3-86.10000113.2D107 I114 F115D107-S111 WeakPolarHBondContact O-CB 3.34Å; D107-S111 PolarHBondContact O-N 2.92Å; D107-S111 PolarHBondContact O-OG 3.48Å; D107-S111 PolarHBondContact OD1-OG 3.22Å; S111-I114 PolarHBondContact O-N 2.83Å; S111-F115 WeakPolarHBondContact O-CB 3.49Å; S111-F115 PolarHBondContact O-N 3.35Å
112P97.6Very high96.2Very high41 Ų4135.2 Ų35.227%0.26621%0.208SC..Hα-helixtrans-65.9-36.3175.1-20.832.5000113.7G108 F115 Q116 V132 S136G108-P112 WeakPolarHBondContact O-CD 3.46Å; P112-F115 PolarHBondContact O-N 3.45Å; P112-Q116 WeakPolarHBondContact O-CB 3.43Å; P112-Q116 WeakPolarHBondContact O-CG 3.25Å; P112-Q116 PolarHBondContact O-N 2.87Å; P112-V132 HydrophobicContact CB-CG1 3.99Å; P112-S136 WeakPolarHBondContact CB-OG 3.43Å
113I97.8Very high95.7Very high1 Ų140.8 Ų40.81%0.00523%0.233CC..Hα-helixtrans-61.7-50176.1-59.3170.9000109.1M110 F115 Q116 C117 L137 L140M110-I113 WeakPolarHBondContact O-CB 3.45Å; M110-I113 PolarHBondContact O-N 3.15Å; M110-I113 HydrophobicContact SD-CD1 4.19Å; I113-F115 VanDerWaalsContact C-N 3.32Å; I113-F115 PolarHBondContact O-N 3.41Å; I113-Q116 PolarHBondContact O-N 2.95Å; I113-C117 VanDerWaalsContact O-CB 3.24Å; I113-C117 WeakPolarHBondContact O-CB 3.46Å; I113-C117 PolarHBondContact O-N 3.19Å; I113-C117 PolarHBondContact O-SG 3.44Å; I113-C117 VanDerWaalsContact O-SG 3.34Å; I113-L137 HydrophobicContact CD1-CD2 3.84Å; I113-L137 HydrophobicContact CD1-CG 4.09Å; I113-L140 HydrophobicContact CD1-CD2 4.09Å
114I96.6Very high95.3Very high12 Ų1244.8 Ų44.86%0.06225%0.248CC..Hα-helixtrans-61.8-44.3179.8-63.4169.8000110.5T13 M110 S111 Q116 F118 I119 T172 Y175T13-I114 HydrophobicContact CG2-CD1 4.23Å; M110-I114 HydrophobicContact CB-CD1 4.41Å; M110-I114 HydrophobicContact CE-CD1 3.98Å; M110-I114 HydrophobicContact CE-CG1 3.88Å; M110-I114 WeakPolarHBondContact O-CG1 3.35Å; M110-I114 PolarHBondContact O-N 3.49Å; S111-I114 PolarHBondContact O-N 2.83Å; I114-Q116 PolarHBondContact O-N 3.11Å; I114-F118 HydrophobicContact CG2-CD2 4.32Å; I114-F118 WeakPolarHBondContact O-CB 3.25Å; I114-F118 PolarHBondContact O-N 3.38Å; I114-I119 PolarHBondContact O-N 3.21Å; I114-T172 HydrophobicContact CD1-CG2 3.66Å; I114-Y175 HydrophobicContact CD1-CG 4.49Å; I114-Y175 HydrophobicContact CG1-CG 4.47Å; I114-Y175 HydrophobicContact CG2-CD1 4.4Å; I114-Y175 HydrophobicContact CG2-CD2 4.34Å; I114-Y175 HydrophobicContact CG2-CG 4.09Å
115F96.1Very high94.8Very high86 Ų8644.9 Ų44.938%0.37726%0.261SS..Iπ-helixtrans-59.5-47.9179.1-173.1-98.1000112S111 P112 I113 I119 V120 M124S111-F115 WeakPolarHBondContact O-CB 3.49Å; S111-F115 PolarHBondContact O-N 3.35Å; P112-F115 PolarHBondContact O-N 3.45Å; I113-F115 VanDerWaalsContact C-N 3.32Å; I113-F115 PolarHBondContact O-N 3.41Å; F115-I119 HydrophobicContact CD2-CB 3.88Å; F115-I119 HydrophobicContact CD2-CG1 4.28Å; F115-I119 HydrophobicContact CD2-CG2 3.96Å; F115-I119 HydrophobicContact CE2-CB 4.28Å; F115-I119 HydrophobicContact CE2-CG2 3.89Å; F115-I119 HydrophobicContact CG-CB 4.44Å; F115-I119 WeakPolarHBondContact O-CA 3.4Å; F115-I119 WeakPolarHBondContact O-CB 3.23Å; F115-I119 PolarHBondContact O-N 3.36Å; F115-I119 VanDerWaalsContact O-N 3.08Å; F115-V120 HydrophobicContact CD1-CG2 3.72Å; F115-V120 HydrophobicContact CE1-CG2 3.34Å; F115-V120 HydrophobicContact CZ-CG2 3.9Å; F115-V120 PolarHBondContact O-N 3.04Å; F115-M124 HydrophobicContact CE1-SD 4.49Å; F115-M124 HydrophobicContact CE2-SD 4.02Å; F115-M124 HydrophobicContact CZ-CE 4.36Å; F115-M124 HydrophobicContact CZ-SD 3.58Å; F115-M124 VanDerWaalsContact CZ-SD 3.58Å
116Q97Very high94.5Very high29 Ų2941.1 Ų41.114%0.13625%0.253CS..Iπ-helixtrans-76.6-35.8-176.6-69.6-63.9-19.900113.7P112 I113 I114 P121 T128 D129 V132 V133P112-Q116 WeakPolarHBondContact O-CB 3.43Å; P112-Q116 WeakPolarHBondContact O-CG 3.25Å; P112-Q116 PolarHBondContact O-N 2.87Å; I113-Q116 PolarHBondContact O-N 2.95Å; I114-Q116 PolarHBondContact O-N 3.11Å; Q116-P121 WeakPolarHBondContact O-CD 3.33Å; Q116-T128 HydrophobicContact CB-CG2 4.13Å; Q116-T128 WeakPolarHBondContact O-CB 3.32Å; Q116-T128 PolarHBondContact O-OG1 2.81Å; Q116-D129 HydrophobicContact CG-CB 4.49Å; Q116-V132 HydrophobicContact CG-CB 4.15Å; Q116-V132 HydrophobicContact CG-CG1 3.84Å; Q116-V133 HydrophobicContact CB-CG2 3.64Å; Q116-V133 HydrophobicContact CG-CG2 4.39Å
117C95.8Very high94.3Very high28 Ų2845.4 Ų45.419%0.18929%0.289CS..Iπ-helixtrans-82.9-28.9-178.1-65.50000113I113I113-C117 VanDerWaalsContact O-CB 3.24Å; I113-C117 WeakPolarHBondContact O-CB 3.46Å; I113-C117 PolarHBondContact O-N 3.19Å; I113-C117 PolarHBondContact O-SG 3.44Å; I113-C117 VanDerWaalsContact O-SG 3.34Å
118F94.4Very high94.3Very high6 Ų647.2 Ų47.23%0.02630%0.3CS..Iπ-helixtrans-120.8-51.3-173.6-64.2-78.2000113I114 M122 Y175 A178 M213I114-F118 HydrophobicContact CG2-CD2 4.32Å; I114-F118 WeakPolarHBondContact O-CB 3.25Å; I114-F118 PolarHBondContact O-N 3.38Å; F118-M122 HydrophobicContact CB-CE 3.35Å; F118-M122 HydrophobicContact CD1-CE 3.56Å; F118-M122 HydrophobicContact CG-CE 3.92Å; F118-M122 VanDerWaalsContact O-CB 3.23Å; F118-M122 WeakPolarHBondContact O-CB 3.42Å; F118-M122 WeakPolarHBondContact O-CE 3.23Å; F118-M122 WeakPolarHBondContact O-CG 3.41Å; F118-M122 PolarHBondContact O-N 3.22Å; F118-M122 VanDerWaalsContact O-N 3.12Å; F118-Y175 HydrophobicContact CB-CD1 4.49Å; F118-Y175 HydrophobicContact CD1-CD1 4.14Å; F118-Y175 HydrophobicContact CD1-CE1 4.45Å; F118-Y175 AromaticContact CD2-CD1 3.75Å; F118-Y175 HydrophobicContact CD2-CD1 3.75Å; F118-Y175 HydrophobicContact CD2-CG 4.45Å; F118-Y175 HydrophobicContact CE1-CD1 4.29Å; F118-Y175 AromaticContact CE2-CD1 3.91Å; F118-Y175 HydrophobicContact CE2-CD1 3.91Å; F118-Y175 HydrophobicContact CE2-CG 4.46Å; F118-Y175 VanDerWaalsContact CE2-O 3.25Å; F118-Y175 WeakPolarHBondContact CE2-O 3.39Å; F118-Y175 AromaticContact CG-CD1 3.87Å; F118-Y175 HydrophobicContact CG-CD1 3.87Å; F118-Y175 HydrophobicContact CG-CE1 4.29Å; F118-Y175 HydrophobicContact CZ-CD1 4.16Å; F118-Y175 VanDerWaalsContact CZ-O 3.27Å; F118-Y175 WeakPolarHBondContact CZ-O 3.42Å; F118-A178 HydrophobicContact CE1-CB 4.33Å; F118-A178 HydrophobicContact CZ-CB 4.04Å; F118-M213 HydrophobicContact CD1-CE 4.02Å; F118-M213 HydrophobicContact CE1-CE 3.71Å
119I92.9Very high94.3Very high54 Ų5449 Ų4928%0.27730%0.3SS..Iπ-helixtrans-72.6-48.4-170.1-53.9-57.7000112I114 F115 F123 M124I114-I119 PolarHBondContact O-N 3.21Å; F115-I119 HydrophobicContact CD2-CB 3.88Å; F115-I119 HydrophobicContact CD2-CG1 4.28Å; F115-I119 HydrophobicContact CD2-CG2 3.96Å; F115-I119 HydrophobicContact CE2-CB 4.28Å; F115-I119 HydrophobicContact CE2-CG2 3.89Å; F115-I119 HydrophobicContact CG-CB 4.44Å; F115-I119 WeakPolarHBondContact O-CA 3.4Å; F115-I119 WeakPolarHBondContact O-CB 3.23Å; F115-I119 PolarHBondContact O-N 3.36Å; F115-I119 VanDerWaalsContact O-N 3.08Å; I119-F123 HydrophobicContact CD1-CD2 4.21Å; I119-F123 HydrophobicContact CD1-CE2 4.35Å; I119-F123 HydrophobicContact CG2-CD2 4.47Å; I119-F123 WeakPolarHBondContact O-CB 3.25Å; I119-F123 PolarHBondContact O-N 3.07Å; I119-M124 HydrophobicContact CG2-SD 4.44Å; I119-M124 PolarHBondContact O-N 3.16Å
120V94.3Very high94.3Very high16 Ų1653.5 Ų53.510%0.09732%0.323CS..Iπ-helixtrans-59.8-50.3-179.8168.40000111.9F115 M124 G125 G126F115-V120 HydrophobicContact CD1-CG2 3.72Å; F115-V120 HydrophobicContact CE1-CG2 3.34Å; F115-V120 HydrophobicContact CZ-CG2 3.9Å; F115-V120 PolarHBondContact O-N 3.04Å; V120-M124 HydrophobicContact CG2-SD 4.21Å; V120-M124 CarbonylContact O-C 3.54Å; V120-M124 PolarHBondContact O-N 3.41Å; V120-M124 VanDerWaalsContact O-N 3.14Å; V120-G125 PolarHBondContact O-N 2.81Å; V120-G125 VanDerWaalsContact O-N 3.11Å; V120-G126 PolarHBondContact O-N 3.46Å
121P93.8Very high94.3Very high54 Ų5455.4 Ų55.435%0.35134%0.342SS..Iπ-helixtrans-68.8-43.4-179.7-20.934.5000113.5Q116 G126Q116-P121 WeakPolarHBondContact O-CD 3.33Å; P121-G126 WeakPolarHBondContact CA-O 3.39Å
122M90.7Very high94.4Very high68 Ų6855 Ų5534%0.33534%0.338SS..Iπ-helixtrans-80-31.5-173.1-69-171.4-83.500113.9F118 P214F118-M122 HydrophobicContact CB-CE 3.35Å; F118-M122 HydrophobicContact CD1-CE 3.56Å; F118-M122 HydrophobicContact CG-CE 3.92Å; F118-M122 VanDerWaalsContact O-CB 3.23Å; F118-M122 WeakPolarHBondContact O-CB 3.42Å; F118-M122 WeakPolarHBondContact O-CE 3.23Å; F118-M122 WeakPolarHBondContact O-CG 3.41Å; F118-M122 PolarHBondContact O-N 3.22Å; F118-M122 VanDerWaalsContact O-N 3.12Å; M122-P214 HydrophobicContact SD-CB 4.33Å; M122-P214 HydrophobicContact SD-CG 4.04Å
123F88Confident94.4Very high118 Ų11853.1 Ų53.152%0.51833%0.325SS..Iπ-helixtrans-123.4-19.9-169-59.5-69.3000114.8M11 I119M11-F123 HydrophobicContact CE-CE2 3.72Å; M11-F123 HydrophobicContact CE-CZ 3.41Å; M11-F123 VanDerWaalsContact CE-CZ 3.41Å; M11-F123 HydrophobicContact SD-CE2 4.42Å; M11-F123 HydrophobicContact SD-CZ 3.76Å; I119-F123 HydrophobicContact CD1-CD2 4.21Å; I119-F123 HydrophobicContact CD1-CE2 4.35Å; I119-F123 HydrophobicContact CG2-CD2 4.47Å; I119-F123 WeakPolarHBondContact O-CB 3.25Å; I119-F123 PolarHBondContact O-N 3.07Å
124M89.2Confident94.4Very high124 Ų12457 Ų5761%0.61135%0.346SS*.Iπ-helixtrans-112.8-6.3-176.2-56-178.864.300113.9F115 I119 V120F115-M124 HydrophobicContact CE1-SD 4.49Å; F115-M124 HydrophobicContact CE2-SD 4.02Å; F115-M124 HydrophobicContact CZ-CE 4.36Å; F115-M124 HydrophobicContact CZ-SD 3.58Å; F115-M124 VanDerWaalsContact CZ-SD 3.58Å; I119-M124 HydrophobicContact CG2-SD 4.44Å; I119-M124 PolarHBondContact O-N 3.16Å; V120-M124 HydrophobicContact CG2-SD 4.21Å; V120-M124 CarbonylContact O-C 3.54Å; V120-M124 PolarHBondContact O-N 3.41Å; V120-M124 VanDerWaalsContact O-N 3.14Å
125G84.4Confident94.5Very high76 Ų7661.8 Ų61.878%0.78437%0.368SS*.  trans71.330.4176.100000114.6V120V120-G125 PolarHBondContact O-N 2.81Å; V120-G125 VanDerWaalsContact O-N 3.11Å
126G91.2Very high94.6Very high35 Ų3557.9 Ų57.936%0.36135%0.352SS..  trans-116.5167.8178.900000113.8V120 P121V120-G126 PolarHBondContact O-N 3.46Å; P121-G126 WeakPolarHBondContact CA-O 3.39Å
127A94.7Very high94.7Very high91 Ų9157.2 Ų57.275%0.75235%0.349SS*.  trans-87.1149.3169.700000110.8D129A127-D129 PolarHBondContact O-N 3.25Å
128T96.3Very high94.8Very high55 Ų5560.6 Ų60.634%0.33736%0.362SS..  trans-57.9125.7173.2-61.90000111.2Q116 I130 V133Q116-T128 HydrophobicContact CB-CG2 4.13Å; Q116-T128 WeakPolarHBondContact O-CB 3.32Å; Q116-T128 PolarHBondContact O-OG1 2.81Å; T128-I130 PolarHBondContact O-N 2.78Å; T128-V133 HydrophobicContact CG2-CG2 3.73Å
129D97.4Very high95Very high80 Ų8065.2 Ų65.243%0.42838%0.382SS..  trans-76.999.7169-171.8-31.4000110.1Q116 A127 G131 V132 V133Q116-D129 HydrophobicContact CG-CB 4.49Å; A127-D129 PolarHBondContact O-N 3.25Å; D129-G131 PolarHBondContact O-N 2.82Å; D129-G131 WeakPolarHBondContact OD1-CA 3.36Å; D129-G131 PolarHBondContact OD1-N 3.18Å; D129-V132 HydrophobicContact CB-CB 4.19Å; D129-V132 HydrophobicContact CB-CG2 4.09Å; D129-V132 PolarHBondContact O-N 2.94Å; D129-V132 PolarHBondContact OD1-N 3.09Å; D129-V132 VanDerWaalsContact OD1-N 3.15Å; D129-V133 WeakPolarHBondContact O-CG2 3.46Å; D129-V133 PolarHBondContact O-N 3.22Å; D129-V133 VanDerWaalsContact O-N 3.09Å
130I97.2Very high95.2Very high97 Ų9762.6 Ų62.650%0.49737%0.369SS..Hα-helixtrans-66-24.7-178.3-158.664000112.8T128 V133 N134T128-I130 PolarHBondContact O-N 2.78Å; I130-V133 HydrophobicContact CD1-CB 4.46Å; I130-N134 VanDerWaalsContact O-CB 3.32Å; I130-N134 WeakPolarHBondContact O-CB 3.39Å; I130-N134 PolarHBondContact O-N 3.01Å; I130-N134 PolarHBondContact O-ND2 2.54Å
131G98.4Very high95.4Very high40 Ų4065.2 Ų65.241%0.41238%0.378SS..Hα-helixtrans-66.4-48.5176.100000110.8D129 V133 N134 E135D129-G131 PolarHBondContact O-N 2.82Å; D129-G131 WeakPolarHBondContact OD1-CA 3.36Å; D129-G131 PolarHBondContact OD1-N 3.18Å; G131-V133 VanDerWaalsContact C-N 3.34Å; G131-V133 PolarHBondContact O-N 2.85Å; G131-N134 PolarHBondContact O-N 3.07Å; G131-E135 PolarHBondContact O-N 3.39Å
132V98.2Very high95.7Very high45 Ų4569.2 Ų69.227%0.27339%0.391SS..Hα-helixtrans-62.2-42.1175.71740000111.3P112 Q116 D129 S136P112-V132 HydrophobicContact CB-CG1 3.99Å; Q116-V132 HydrophobicContact CG-CB 4.15Å; Q116-V132 HydrophobicContact CG-CG1 3.84Å; D129-V132 HydrophobicContact CB-CB 4.19Å; D129-V132 HydrophobicContact CB-CG2 4.09Å; D129-V132 PolarHBondContact O-N 2.94Å; D129-V132 PolarHBondContact OD1-N 3.09Å; D129-V132 VanDerWaalsContact OD1-N 3.15Å; V132-S136 VanDerWaalsContact O-CB 3.3Å; V132-S136 WeakPolarHBondContact O-CB 3.41Å; V132-S136 PolarHBondContact O-N 2.93Å; V132-S136 PolarHBondContact O-OG 2.67Å
133V98.1Very high96Very high0 Ų066.7 Ų66.70%038%0.38CS..Hα-helixtrans-62-48.1177.2172.40000111Q116 T128 D129 I130 G131 S136 L137 H181Q116-V133 HydrophobicContact CB-CG2 3.64Å; Q116-V133 HydrophobicContact CG-CG2 4.39Å; T128-V133 HydrophobicContact CG2-CG2 3.73Å; D129-V133 WeakPolarHBondContact O-CG2 3.46Å; D129-V133 PolarHBondContact O-N 3.22Å; D129-V133 VanDerWaalsContact O-N 3.09Å; I130-V133 HydrophobicContact CD1-CB 4.46Å; G131-V133 VanDerWaalsContact C-N 3.34Å; G131-V133 PolarHBondContact O-N 2.85Å; V133-S136 PolarHBondContact O-N 2.89Å; V133-L137 HydrophobicContact CG1-CD1 3.83Å; V133-L137 HydrophobicContact CG1-CG 4.29Å; V133-L137 WeakPolarHBondContact O-CB 3.38Å; V133-L137 WeakPolarHBondContact O-CG 3.34Å; V133-L137 PolarHBondContact O-N 2.76Å; V133-H181 WeakPolarHBondContact CG1-NE2 3.43Å
134N98.1Very high96.5Very high84 Ų8461 Ų6145%0.44936%0.355SS..Hα-helixtrans-63.6-43.7-179.7-73.4-22.7000112.3I130 G131 S136 L137 E138I130-N134 VanDerWaalsContact O-CB 3.32Å; I130-N134 WeakPolarHBondContact O-CB 3.39Å; I130-N134 PolarHBondContact O-N 3.01Å; I130-N134 PolarHBondContact O-ND2 2.54Å; G131-N134 PolarHBondContact O-N 3.07Å; N134-S136 VanDerWaalsContact C-N 3.26Å; N134-S136 PolarHBondContact O-N 3.42Å; N134-L137 PolarHBondContact O-N 3.04Å; N134-E138 PolarHBondContact O-N 3.5Å; N134-E138 VanDerWaalsContact O-N 3.1Å
135E98.4Very high97Very high112 Ų11260.8 Ų60.852%0.52335%0.353SS..Hα-helixtrans-58.7-41.8175-171.8-166.7145.200111.4G131 E138 K139G131-E135 PolarHBondContact O-N 3.39Å; E135-E138 PolarHBondContact O-N 2.91Å; E135-K139 PolarHBondContact O-N 2.95Å; E135-K139 VanDerWaalsContact OE1-CE 3.26Å; E135-K139 WeakPolarHBondContact OE1-CE 3.1Å; E135-K139 IonicContact OE1-NZ 3.03Å; E135-K139 PolarHBondContact OE1-NZ 3.31Å
136S98.3Very high97.7Very high4 Ų461.4 Ų61.43%0.02834%0.341CS..Hα-helixtrans-72.6-34.2-178.4-55.90000112.2A109 P112 V132 V133 N134 E138 K139 L140A109-S136 WeakPolarHBondContact O-CB 3.32Å; P112-S136 WeakPolarHBondContact CB-OG 3.43Å; V132-S136 VanDerWaalsContact O-CB 3.3Å; V132-S136 WeakPolarHBondContact O-CB 3.41Å; V132-S136 PolarHBondContact O-N 2.93Å; V132-S136 PolarHBondContact O-OG 2.67Å; V133-S136 PolarHBondContact O-N 2.89Å; N134-S136 VanDerWaalsContact C-N 3.26Å; N134-S136 PolarHBondContact O-N 3.42Å; S136-E138 VanDerWaalsContact C-N 3.34Å; S136-K139 PolarHBondContact O-N 2.83Å; S136-L140 WeakPolarHBondContact O-CB 3.44Å; S136-L140 PolarHBondContact O-N 3.21Å
137L98.2Very high98Very high15 Ų1559.8 Ų59.88%0.07932%0.324CS..Hα-helixtrans-63.4-38.3171.9-76.3169000112.1I113 V133 N134 K139 L140 K141 H181I113-L137 HydrophobicContact CD1-CD2 3.84Å; I113-L137 HydrophobicContact CD1-CG 4.09Å; V133-L137 HydrophobicContact CG1-CD1 3.83Å; V133-L137 HydrophobicContact CG1-CG 4.29Å; V133-L137 WeakPolarHBondContact O-CB 3.38Å; V133-L137 WeakPolarHBondContact O-CG 3.34Å; V133-L137 PolarHBondContact O-N 2.76Å; N134-L137 PolarHBondContact O-N 3.04Å; L137-K139 VanDerWaalsContact C-N 3.34Å; L137-L140 HydrophobicContact CD2-CD2 4.38Å; L137-L140 PolarHBondContact O-N 3.42Å; L137-K141 VanDerWaalsContact O-CG 3.31Å; L137-K141 WeakPolarHBondContact O-CG 3.44Å; L137-K141 PolarHBondContact O-N 2.88Å; L137-H181 HydrophobicContact CD1-CB 4.46Å; L137-H181 HydrophobicContact CD2-CB 3.93Å
138E98.4Very high98.2Very high98 Ų9857.1 Ų57.146%0.45830%0.296SS..Hα-helixtrans-66.6-36.1174.9-67.2-53.2125.500112.3N134 E135 S136 K141 K142N134-E138 PolarHBondContact O-N 3.5Å; N134-E138 VanDerWaalsContact O-N 3.1Å; E135-E138 PolarHBondContact O-N 2.91Å; S136-E138 VanDerWaalsContact C-N 3.34Å; E138-K141 IonicContact OE1-NZ 2.58Å; E138-K141 PolarHBondContact OE1-NZ 2.82Å; E138-K142 WeakPolarHBondContact O-CG 3.44Å; E138-K142 PolarHBondContact O-N 3.29Å
139K98.3Very high98.3Very high103 Ų10356.9 Ų56.945%0.44830%0.3SS..Hα-helixtrans-66-42.4171.6-66.6173.6-171.4166.50111.3A109 E135 S136 L137 K142 A143A109-K139 HydrophobicContact CB-CB 3.88Å; E135-K139 PolarHBondContact O-N 2.95Å; E135-K139 VanDerWaalsContact OE1-CE 3.26Å; E135-K139 WeakPolarHBondContact OE1-CE 3.1Å; E135-K139 IonicContact OE1-NZ 3.03Å; E135-K139 PolarHBondContact OE1-NZ 3.31Å; S136-K139 PolarHBondContact O-N 2.83Å; L137-K139 VanDerWaalsContact C-N 3.34Å; K139-K142 PolarHBondContact O-N 3.49Å; K139-A143 PolarHBondContact O-N 2.93Å; K139-A143 VanDerWaalsContact O-N 3.12Å
140L98.4Very high98.4Very high0 Ų054.6 Ų54.60%029%0.286CS..Hα-helixtrans-61.4-47.7178-179.662.5000111F106 A109 M110 I113 S136 L137 K142 A143 L144 L176 V184F106-L140 HydrophobicContact CD2-CD1 4.16Å; F106-L140 HydrophobicContact CE2-CD1 3.88Å; F106-L140 HydrophobicContact CZ-CD1 4.34Å; A109-L140 HydrophobicContact CB-CB 4.05Å; M110-L140 HydrophobicContact CG-CD1 4.09Å; M110-L140 HydrophobicContact SD-CD1 3.94Å; M110-L140 HydrophobicContact SD-CD2 3.59Å; M110-L140 VanDerWaalsContact SD-CD2 3.59Å; M110-L140 HydrophobicContact SD-CG 4.38Å; I113-L140 HydrophobicContact CD1-CD2 4.09Å; S136-L140 WeakPolarHBondContact O-CB 3.44Å; S136-L140 PolarHBondContact O-N 3.21Å; L137-L140 HydrophobicContact CD2-CD2 4.38Å; L137-L140 PolarHBondContact O-N 3.42Å; L140-K142 VanDerWaalsContact C-N 3.31Å; L140-K142 PolarHBondContact O-N 2.94Å; L140-A143 CarbonylContact O-C 3.44Å; L140-A143 WeakPolarHBondContact O-CA 3.46Å; L140-A143 WeakPolarHBondContact O-CB 3.26Å; L140-A143 PolarHBondContact O-N 3.03Å; L140-L144 HydrophobicContact CD1-CD1 4.3Å; L140-L144 HydrophobicContact CD1-CD2 4.41Å; L140-L144 HydrophobicContact CD1-CG 4.09Å; L140-L144 HydrophobicContact CD2-CD1 4.44Å; L140-L144 HydrophobicContact CG-CD1 3.92Å; L140-L144 HydrophobicContact CG-CG 4.13Å; L140-L144 VanDerWaalsContact O-CG 3.31Å; L140-L144 WeakPolarHBondContact O-CG 3.32Å; L140-L144 PolarHBondContact O-N 3.44Å; L140-L176 HydrophobicContact CD2-CD1 4.36Å; L140-L176 HydrophobicContact CD2-CD2 4.19Å; L140-V184 HydrophobicContact CD2-CG1 4.16Å
141K98.6Very high98.5Very high70 Ų7050.6 Ų50.630%0.30427%0.266SS..Hα-helixtrans-54.5-45.5177.5-73.8170.5-172.6172.30112.4L137 E138 A143 L144 E145 V184 Y188L137-K141 VanDerWaalsContact O-CG 3.31Å; L137-K141 WeakPolarHBondContact O-CG 3.44Å; L137-K141 PolarHBondContact O-N 2.88Å; E138-K141 IonicContact OE1-NZ 2.58Å; E138-K141 PolarHBondContact OE1-NZ 2.82Å; K141-A143 VanDerWaalsContact C-N 3.34Å; K141-A143 PolarHBondContact O-N 3.36Å; K141-L144 PolarHBondContact O-N 2.68Å; K141-E145 WeakPolarHBondContact O-CG 3.29Å; K141-E145 PolarHBondContact O-N 3.37Å; K141-V184 HydrophobicContact CG-CG2 3.8Å; K141-Y188 WeakPolarHBondContact CA-OH 3.46Å; K141-Y188 WeakPolarHBondContact CB-OH 3.47Å; K141-Y188 PolarHBondContact O-OH 2.86Å
142K98.3Very high98.5Very high139 Ų13952 Ų5260%0.60427%0.269SS*.Hα-helixtrans-62.1-40.1176.3-69.4176.1-177.6178.90112.5E138 K139 L140E138-K142 WeakPolarHBondContact O-CG 3.44Å; E138-K142 PolarHBondContact O-N 3.29Å; K139-K142 PolarHBondContact O-N 3.49Å; L140-K142 VanDerWaalsContact C-N 3.31Å; L140-K142 PolarHBondContact O-N 2.94Å
143A98.3Very high98.5Very high14 Ų1457.5 Ų57.512%0.11629%0.289CS..Hα-helixtrans-64.6-44.9173.500000110.8K139 L140 K141 E145 V146 Y147K139-A143 PolarHBondContact O-N 2.93Å; K139-A143 VanDerWaalsContact O-N 3.12Å; L140-A143 CarbonylContact O-C 3.44Å; L140-A143 WeakPolarHBondContact O-CA 3.46Å; L140-A143 WeakPolarHBondContact O-CB 3.26Å; L140-A143 PolarHBondContact O-N 3.03Å; K141-A143 VanDerWaalsContact C-N 3.34Å; K141-A143 PolarHBondContact O-N 3.36Å; A143-E145 VanDerWaalsContact C-N 3.31Å; A143-E145 PolarHBondContact O-N 3.03Å; A143-V146 WeakPolarHBondContact O-CB 3.36Å; A143-V146 PolarHBondContact O-N 3.16Å; A143-V146 VanDerWaalsContact O-N 3.07Å; A143-Y147 WeakPolarHBondContact O-CD2 3.33Å; A143-Y147 PolarHBondContact O-N 3.38Å
144L98.7Very high98.5Very high0 Ų058.3 Ų58.30%030%0.295CS..Hα-helixtrans-62.8-33.5-179.9-68.9-178.4000113.3F106 L140 K141 V146 Y147 E148 V184 L185 Y188 V191F106-L144 HydrophobicContact CE2-CD2 3.92Å; L140-L144 HydrophobicContact CD1-CD1 4.3Å; L140-L144 HydrophobicContact CD1-CD2 4.41Å; L140-L144 HydrophobicContact CD1-CG 4.09Å; L140-L144 HydrophobicContact CD2-CD1 4.44Å; L140-L144 HydrophobicContact CG-CD1 3.92Å; L140-L144 HydrophobicContact CG-CG 4.13Å; L140-L144 VanDerWaalsContact O-CG 3.31Å; L140-L144 WeakPolarHBondContact O-CG 3.32Å; L140-L144 PolarHBondContact O-N 3.44Å; K141-L144 PolarHBondContact O-N 2.68Å; L144-V146 VanDerWaalsContact C-N 3.33Å; L144-V146 PolarHBondContact O-N 3.09Å; L144-Y147 PolarHBondContact O-N 3.03Å; L144-E148 WeakPolarHBondContact O-CB 3.48Å; L144-E148 PolarHBondContact O-N 3.12Å; L144-V184 HydrophobicContact CD1-CG1 4.35Å; L144-V184 HydrophobicContact CD1-CG2 4.37Å; L144-L185 HydrophobicContact CD1-CD2 4.04Å; L144-Y188 HydrophobicContact CB-CD1 4Å; L144-Y188 HydrophobicContact CB-CD2 3.76Å; L144-Y188 HydrophobicContact CB-CE1 3.86Å; L144-Y188 HydrophobicContact CB-CE2 3.61Å; L144-Y188 HydrophobicContact CB-CG 3.94Å; L144-Y188 HydrophobicContact CD1-CD2 3.67Å; L144-Y188 HydrophobicContact CD1-CE2 3.61Å; L144-Y188 HydrophobicContact CG-CD2 4.32Å; L144-Y188 HydrophobicContact CG-CE2 4.27Å; L144-V191 HydrophobicContact CD2-CG1 3.86Å; L144-V191 HydrophobicContact CD2-CG2 4.44Å
145E98.7Very high98.5Very high118 Ų11859.9 Ų59.955%0.55130%0.298SS*.Hα-helixtrans-59.2-42.8171.5-73.2168.6-171.900112.1K141 A143 A149 Y188K141-E145 WeakPolarHBondContact O-CG 3.29Å; K141-E145 PolarHBondContact O-N 3.37Å; A143-E145 VanDerWaalsContact C-N 3.31Å; A143-E145 PolarHBondContact O-N 3.03Å; E145-A149 PolarHBondContact O-N 3.08Å; E145-A149 VanDerWaalsContact O-N 3.16Å; E145-Y188 HydrophobicContact CG-CE1 3.83Å
146V98.7Very high98.5Very high89 Ų8955.3 Ų55.354%0.53928%0.276SS..Hα-helixtrans-67.4-40.3176.2177.70000110.9W98 A143 L144 A149 Q150W98-V146 HydrophobicContact CH2-CG1 4.44Å; A143-V146 WeakPolarHBondContact O-CB 3.36Å; A143-V146 PolarHBondContact O-N 3.16Å; A143-V146 VanDerWaalsContact O-N 3.07Å; L144-V146 VanDerWaalsContact C-N 3.33Å; L144-V146 PolarHBondContact O-N 3.09Å; V146-A149 PolarHBondContact O-N 3.04Å; V146-Q150 PolarHBondContact O-N 2.82Å
147Y98.8Very high98.6Very high2 Ų255.1 Ų55.11%0.00828%0.275CS..Hα-helixtrans-66.8-43.3178.9-81.3-128.3000111.6W98 V101 F106 A143 L144 A149 Q150 L151 L157 H169W98-Y147 HydrophobicContact CE3-CE2 4.45Å; W98-Y147 AromaticContact CZ3-CD2 3.91Å; W98-Y147 HydrophobicContact CZ3-CD2 3.91Å; W98-Y147 HydrophobicContact CZ3-CE1 4.43Å; W98-Y147 AromaticContact CZ3-CE2 3.77Å; W98-Y147 HydrophobicContact CZ3-CE2 3.77Å; W98-Y147 HydrophobicContact CZ3-CG 4.34Å; V101-Y147 HydrophobicContact CG1-CE2 3.75Å; F106-Y147 WeakPolarHBondContact CB-OH 3.39Å; F106-Y147 HydrophobicContact CD2-CE1 4.04Å; A143-Y147 WeakPolarHBondContact O-CD2 3.33Å; A143-Y147 PolarHBondContact O-N 3.38Å; L144-Y147 PolarHBondContact O-N 3.03Å; Y147-A149 VanDerWaalsContact C-N 3.29Å; Y147-A149 PolarHBondContact O-N 3.27Å; Y147-Q150 PolarHBondContact O-N 3.16Å; Y147-Q150 VanDerWaalsContact O-N 3.12Å; Y147-L151 WeakPolarHBondContact O-CB 3.24Å; Y147-L151 WeakPolarHBondContact O-CG 3.44Å; Y147-L151 PolarHBondContact O-N 3.06Å; Y147-L157 HydrophobicContact CD1-CD2 3.83Å; Y147-L157 HydrophobicContact CE1-CD1 4.01Å; Y147-L157 HydrophobicContact CE1-CD2 4.04Å; Y147-L157 HydrophobicContact CG-CD2 4.49Å; Y147-H169 AromaticContact CE1-CD2 3.88Å; Y147-H169 AromaticContact CE1-NE2 3.34Å; Y147-H169 VanDerWaalsContact CE1-NE2 3.34Å; Y147-H169 WeakPolarHBondContact CE1-NE2 3.37Å; Y147-H169 AromaticContact CZ-NE2 3.56Å; Y147-H169 PolarHBondContact OH-NE2 3.23Å
148E98.8Very high98.6Very high34 Ų3454.8 Ų54.816%0.15927%0.274CS..Hα-helixtrans-59.7-42176.4-17765.3-162.700111L144 S152 Y188 P189 R190 V191L144-E148 WeakPolarHBondContact O-CB 3.48Å; L144-E148 PolarHBondContact O-N 3.12Å; E148-S152 PolarHBondContact O-N 3.47Å; E148-S152 VanDerWaalsContact O-N 3.13Å; E148-Y188 HydrophobicContact CB-CD1 4Å; E148-Y188 HydrophobicContact CG-CD1 4.37Å; E148-Y188 WeakPolarHBondContact OE2-CA 3.4Å; E148-P189 WeakPolarHBondContact OE1-CD 3.48Å; E148-R190 WeakPolarHBondContact OE1-CB 3.39Å; E148-R190 WeakPolarHBondContact OE1-CG 3.17Å; E148-R190 PolarHBondContact OE1-N 2.87Å; E148-R190 WeakPolarHBondContact OE2-CA 3.46Å; E148-R190 WeakPolarHBondContact OE2-CB 3.27Å; E148-R190 PolarHBondContact OE2-N 3.26Å; E148-V191 HydrophobicContact CB-CG2 4.14Å; E148-V191 PolarHBondContact OE2-N 3.38Å
149A98.7Very high98.6Very high50 Ų5050.9 Ų50.941%0.41326%0.26SS..Hα-helixtrans-65.8-38.2174.700000112.3E145 V146 Y147 S152E145-A149 PolarHBondContact O-N 3.08Å; E145-A149 VanDerWaalsContact O-N 3.16Å; V146-A149 PolarHBondContact O-N 3.04Å; Y147-A149 VanDerWaalsContact C-N 3.29Å; Y147-A149 PolarHBondContact O-N 3.27Å; A149-S152 PolarHBondContact O-OG 3.2Å
150Q98.8Very high98.6Very high32 Ų3251.8 Ų51.815%0.1527%0.27CS..Hα-helixtrans-66.5-49.5175.417866.7-0.700111.8W98 V146 Y147 S152 K153 S154 L157W98-Q150 HydrophobicContact CH2-CB 3.54Å; W98-Q150 HydrophobicContact CH2-CG 3.63Å; W98-Q150 HydrophobicContact CZ2-CB 3.6Å; W98-Q150 HydrophobicContact CZ2-CG 3.2Å; V146-Q150 PolarHBondContact O-N 2.82Å; Y147-Q150 PolarHBondContact O-N 3.16Å; Y147-Q150 VanDerWaalsContact O-N 3.12Å; Q150-S152 PolarHBondContact O-N 3.31Å; Q150-S152 VanDerWaalsContact O-N 3.09Å; Q150-K153 WeakPolarHBondContact O-CB 3.32Å; Q150-K153 PolarHBondContact O-N 2.94Å; Q150-S154 PolarHBondContact O-N 3.17Å; Q150-L157 PolarHBondContact NE2-O 2.82Å
151L98.8Very high98.6Very high14 Ų1453.6 Ų53.67%0.07328%0.278CS..Hα-helixtrans-70.3-5.3-178.1-66.8167.4000112.9Y147 K153 S154 L157 R190 V191 W194Y147-L151 WeakPolarHBondContact O-CB 3.24Å; Y147-L151 WeakPolarHBondContact O-CG 3.44Å; Y147-L151 PolarHBondContact O-N 3.06Å; L151-K153 VanDerWaalsContact C-N 3.32Å; L151-S154 CarbonylContact C-O 3.55Å; L151-S154 WeakPolarHBondContact CA-O 3.39Å; L151-L157 HydrophobicContact CD2-CD2 4.14Å; L151-L157 HydrophobicContact CG-CD2 4.25Å; L151-R190 HydrophobicContact CB-CB 3.86Å; L151-V191 HydrophobicContact CD1-CB 4.36Å; L151-V191 HydrophobicContact CD1-CG2 3.99Å; L151-W194 HydrophobicContact CD1-CB 3.67Å; L151-W194 HydrophobicContact CD1-CD2 4.06Å; L151-W194 HydrophobicContact CD1-CE3 4.15Å; L151-W194 HydrophobicContact CD1-CG 3.85Å; L151-W194 HydrophobicContact CD2-CB 4Å; L151-W194 HydrophobicContact CD2-CG 3.88Å; L151-W194 HydrophobicContact CG-CB 4.46Å
152S98.5Very high98.6Very high68 Ų6851.7 Ų51.748%0.47627%0.27SS..THydrogen-bonded Turntrans-76.8-18.3165.380.60000113.7E148 A149 Q150E148-S152 PolarHBondContact O-N 3.47Å; E148-S152 VanDerWaalsContact O-N 3.13Å; A149-S152 PolarHBondContact O-OG 3.2Å; Q150-S152 PolarHBondContact O-N 3.31Å; Q150-S152 VanDerWaalsContact O-N 3.09Å
153K98.4Very high98.6Very high161 Ų16145 Ų4570%0.724%0.242SC*.THydrogen-bonded Turntrans-102.4-30.2-175.6-58173.1-173.61700113Q150 L151Q150-K153 WeakPolarHBondContact O-CB 3.32Å; Q150-K153 PolarHBondContact O-N 2.94Å; L151-K153 VanDerWaalsContact C-N 3.32Å
154S98.1Very high98.6Very high17 Ų1744.4 Ų44.412%0.11924%0.236CC..SBendtrans-144.7156.2-176.753.80000111Q150 L151 Y156 D160Q150-S154 PolarHBondContact O-N 3.17Å; L151-S154 CarbonylContact C-O 3.55Å; L151-S154 WeakPolarHBondContact CA-O 3.39Å; S154-Y156 VanDerWaalsContact C-N 3.35Å; S154-Y156 PolarHBondContact O-N 3.48Å; S154-Y156 PolarHBondContact OG-O 2.88Å; S154-D160 WeakPolarHBondContact CA-OD1 3.49Å
155K98.4Very high98.6Very high117 Ų11744.4 Ų44.451%0.50924%0.236SC..SBendtrans-64.3-38.4-179.9-174179.5176.7-160.90113.1D160K155-D160 PolarHBondContact N-OD1 3.06Å
156Y98.9Very high98.6Very high17 Ų1738.8 Ų38.87%0.06721%0.21CC..SBendtrans-122.8173179.7-62.2-75.5000110S154 A158 G159 F161 I162 D166 W194 D197S154-Y156 VanDerWaalsContact C-N 3.35Å; S154-Y156 PolarHBondContact O-N 3.48Å; S154-Y156 PolarHBondContact OG-O 2.88Å; Y156-A158 PolarHBondContact O-N 3.06Å; Y156-G159 CarbonylContact C-O 3.59Å; Y156-G159 WeakPolarHBondContact CA-O 3.48Å; Y156-G159 WeakPolarHBondContact CB-O 3.32Å; Y156-G159 PolarHBondContact N-O 3.17Å; Y156-G159 PolarHBondContact O-N 3.32Å; Y156-G159 VanDerWaalsContact O-O 3.08Å; Y156-F161 VanDerWaalsContact CB-O 3.27Å; Y156-F161 WeakPolarHBondContact CB-O 3.45Å; Y156-F161 WeakPolarHBondContact CD2-O 3.44Å; Y156-I162 HydrophobicContact CD1-CB 4.07Å; Y156-I162 HydrophobicContact CD1-CG1 3.97Å; Y156-I162 HydrophobicContact CD2-CB 4.23Å; Y156-I162 VanDerWaalsContact CD2-N 3.31Å; Y156-I162 HydrophobicContact CE1-CB 3.9Å; Y156-I162 HydrophobicContact CE1-CD1 4.08Å; Y156-I162 HydrophobicContact CE1-CG1 3.91Å; Y156-I162 HydrophobicContact CE2-CB 4.01Å; Y156-I162 HydrophobicContact CG-CB 4.24Å; Y156-D166 WeakPolarHBondContact CB-OD1 3.43Å; Y156-W194 AromaticContact CD1-CD1 3.93Å; Y156-D197 WeakPolarHBondContact CE1-OD2 3.42Å; Y156-D197 PolarHBondContact OH-OD2 2.94Å
157L98.9Very high98.6Very high0 Ų034.6 Ų34.60%018%0.184CC..SBendtrans-63.1-45.7-173.9-65.6176.2000112W98 Y147 Q150 L151 D166 H169 W194W98-L157 HydrophobicContact CB-CB 3.9Å; W98-L157 HydrophobicContact CD2-CB 3.79Å; W98-L157 HydrophobicContact CD2-CD2 4.3Å; W98-L157 HydrophobicContact CD2-CG 4.46Å; W98-L157 HydrophobicContact CE3-CB 4.08Å; W98-L157 HydrophobicContact CE3-CD1 4.16Å; W98-L157 HydrophobicContact CE3-CD2 3.83Å; W98-L157 HydrophobicContact CE3-CG 4.25Å; W98-L157 HydrophobicContact CG-CB 3.68Å; W98-L157 HydrophobicContact CZ3-CD2 3.93Å; W98-L157 PolarHBondContact NE1-O 3.15Å; Y147-L157 HydrophobicContact CD1-CD2 3.83Å; Y147-L157 HydrophobicContact CE1-CD1 4.01Å; Y147-L157 HydrophobicContact CE1-CD2 4.04Å; Y147-L157 HydrophobicContact CG-CD2 4.49Å; Q150-L157 PolarHBondContact NE2-O 2.82Å; L151-L157 HydrophobicContact CD2-CD2 4.14Å; L151-L157 HydrophobicContact CG-CD2 4.25Å; L157-D166 WeakPolarHBondContact CG-OD1 3.5Å; L157-D166 PolarHBondContact N-OD1 2.83Å; L157-H169 WeakPolarHBondContact CD1-CE1 3.44Å; L157-W194 HydrophobicContact CD1-CH2 4.27Å; L157-W194 HydrophobicContact CD1-CZ2 3.69Å; L157-W194 HydrophobicContact CG-CZ2 4.11Å
158A98.7Very high98.6Very high8 Ų834.5 Ų34.57%0.06618%0.184CC..SBendtrans-84-9.4-177.600000114.7M94 V95 Y156 F161M94-A158 HydrophobicContact CB-CB 4.09Å; M94-A158 WeakPolarHBondContact CB-O 3.33Å; V95-A158 HydrophobicContact CG2-CB 3.82Å; Y156-A158 PolarHBondContact O-N 3.06Å; A158-F161 HydrophobicContact CB-CE2 3.82Å; A158-F161 HydrophobicContact CB-CZ 3.98Å
159G98.5Very high98.6Very high15 Ų1532.9 Ų32.916%0.15518%0.177CC..SBendtrans152.4-153.5-17600000112.4Y156 F161Y156-G159 CarbonylContact C-O 3.59Å; Y156-G159 WeakPolarHBondContact CA-O 3.48Å; Y156-G159 WeakPolarHBondContact CB-O 3.32Å; Y156-G159 PolarHBondContact N-O 3.17Å; Y156-G159 PolarHBondContact O-N 3.32Å; Y156-G159 VanDerWaalsContact O-O 3.08Å; G159-F161 PolarHBondContact O-N 3.12Å
160D98.3Very high98.6Very high123 Ų12330.6 Ų30.666%0.65816%0.157SC*.SBendtrans-89.418.4178.4-66.6-36.5000113.4S154 K155S154-D160 WeakPolarHBondContact CA-OD1 3.49Å; K155-D160 PolarHBondContact N-OD1 3.06Å
161F98.3Very high98.5Very high38 Ų3829 Ų2917%0.16715%0.15CC..SBendtrans-125.8144.7175.255.7-92.5000109.6R85 E91 V95 Y156 A158 G159R85-F161 HydrophobicContact CG-CD2 3.79Å; R85-F161 HydrophobicContact CG-CE2 3.45Å; R85-F161 VanDerWaalsContact CG-CE2 3.45Å; R85-F161 HydrophobicContact CG-CZ 4.03Å; E91-F161 HydrophobicContact CB-CE1 4.02Å; E91-F161 HydrophobicContact CB-CZ 3.68Å; E91-F161 HydrophobicContact CG-CE1 3.65Å; E91-F161 HydrophobicContact CG-CZ 3.86Å; E91-F161 WeakPolarHBondContact OE1-CE1 3.43Å; V95-F161 HydrophobicContact CG2-CE2 3.94Å; Y156-F161 VanDerWaalsContact CB-O 3.27Å; Y156-F161 WeakPolarHBondContact CB-O 3.45Å; Y156-F161 WeakPolarHBondContact CD2-O 3.44Å; A158-F161 HydrophobicContact CB-CE2 3.82Å; A158-F161 HydrophobicContact CB-CZ 3.98Å; G159-F161 PolarHBondContact O-N 3.12Å
162I98.5Very high98.4Very high29 Ų2928.4 Ų28.415%0.14915%0.147CC..  trans-74.5145.9172.9-163173.5000110.2L83 Y156 D166 I167 R201L83-I162 HydrophobicContact CD2-CG2 4.02Å; Y156-I162 HydrophobicContact CD1-CB 4.07Å; Y156-I162 HydrophobicContact CD1-CG1 3.97Å; Y156-I162 HydrophobicContact CD2-CB 4.23Å; Y156-I162 VanDerWaalsContact CD2-N 3.31Å; Y156-I162 HydrophobicContact CE1-CB 3.9Å; Y156-I162 HydrophobicContact CE1-CD1 4.08Å; Y156-I162 HydrophobicContact CE1-CG1 3.91Å; Y156-I162 HydrophobicContact CE2-CB 4.01Å; Y156-I162 HydrophobicContact CG-CB 4.24Å; I162-D166 HydrophobicContact CG1-CB 3.93Å; I162-I167 HydrophobicContact CD1-CD1 4.44Å; I162-I167 HydrophobicContact CD1-CG1 4.11Å; I162-I167 HydrophobicContact CG1-CG1 4.42Å; I162-R201 HydrophobicContact CD1-CG 4.5Å; I162-R201 VanDerWaalsContact CD1-NH1 3.32Å
163S98.9Very high98.3Very high0 Ų025.3 Ų25.30%013%0.125CC..  trans-139.6176.2-178.368.20000112.9L83 V95 A165 D166 I167L83-S163 CarbonylContact O-C 3.56Å; L83-S163 WeakPolarHBondContact O-CA 3.44Å; L83-S163 WeakPolarHBondContact O-CB 3.4Å; V95-S163 VanDerWaalsContact CG2-CB 3.5Å; S163-A165 PolarHBondContact O-N 3.32Å; S163-A165 WeakPolarHBondContact OG-CB 3.31Å; S163-A165 PolarHBondContact OG-N 2.95Å; S163-A165 VanDerWaalsContact OG-N 3.14Å; S163-D166 PolarHBondContact N-OD2 3.44Å; S163-D166 PolarHBondContact O-N 2.93Å; S163-D166 VanDerWaalsContact O-N 3.13Å; S163-D166 PolarHBondContact OG-OD2 2.91Å; S163-I167 WeakPolarHBondContact O-CG1 3.42Å; S163-I167 PolarHBondContact O-N 3.35Å
164L98.8Very high98.2Very high1 Ų119.4 Ų19.41%0.00510%0.099CC..Hα-helixtrans-56.8-28.9167.7178.961.4000111.6K73 L76 L83 L84 V95 L99 D166 I167 S168K73-L164 HydrophobicContact CG-CD2 3.63Å; L76-L164 HydrophobicContact CD1-CB 3.87Å; L76-L164 HydrophobicContact CD1-CD1 3.93Å; L76-L164 HydrophobicContact CD1-CD2 4.03Å; L76-L164 HydrophobicContact CD1-CG 4.13Å; L83-L164 PolarHBondContact O-N 3.15Å; L84-L164 HydrophobicContact CD2-CB 3.98Å; L84-L164 HydrophobicContact CD2-CD2 3.62Å; L84-L164 HydrophobicContact CD2-CG 4.44Å; V95-L164 HydrophobicContact CG1-CB 4.42Å; L99-L164 HydrophobicContact CD1-CG 4.27Å; L99-L164 HydrophobicContact CD2-CD2 3.87Å; L99-L164 HydrophobicContact CD2-CG 4.38Å; L164-D166 VanDerWaalsContact C-N 3.26Å; L164-D166 PolarHBondContact O-N 2.92Å; L164-I167 PolarHBondContact O-N 2.8Å; L164-S168 WeakPolarHBondContact CD1-OG 3.21Å; L164-S168 VanDerWaalsContact O-CB 3.25Å; L164-S168 WeakPolarHBondContact O-CB 3.42Å; L164-S168 PolarHBondContact O-N 3.36Å; L164-S168 PolarHBondContact O-OG 3.45Å
165A98.8Very high98.1Very high0 Ų018.8 Ų18.80%09%0.094CC..Hα-helixtrans-59-41.6177.800000110.5V95 W98 S163 H169V95-A165 HydrophobicContact CG1-CB 4.33Å; W98-A165 HydrophobicContact CB-CB 3.62Å; S163-A165 PolarHBondContact O-N 3.32Å; S163-A165 WeakPolarHBondContact OG-CB 3.31Å; S163-A165 PolarHBondContact OG-N 2.95Å; S163-A165 VanDerWaalsContact OG-N 3.14Å; A165-H169 PolarHBondContact O-CE1 3.29Å; A165-H169 PolarHBondContact O-ND1 3.47Å
166D98.9Very high98Very high0 Ų013.3 Ų13.30%07%0.07CC..Hα-helixtrans-77.3-44.5180-50.4-86.9000112.5Y156 L157 I162 S163 L164 S168 H169 W194 V198Y156-D166 WeakPolarHBondContact CB-OD1 3.43Å; L157-D166 WeakPolarHBondContact CG-OD1 3.5Å; L157-D166 PolarHBondContact N-OD1 2.83Å; I162-D166 HydrophobicContact CG1-CB 3.93Å; S163-D166 PolarHBondContact N-OD2 3.44Å; S163-D166 PolarHBondContact O-N 2.93Å; S163-D166 VanDerWaalsContact O-N 3.13Å; S163-D166 PolarHBondContact OG-OD2 2.91Å; L164-D166 VanDerWaalsContact C-N 3.26Å; L164-D166 PolarHBondContact O-N 2.92Å; D166-S168 PolarHBondContact O-N 3.16Å; D166-H169 PolarHBondContact O-N 2.94Å; D166-W194 HydrophobicContact CB-CZ2 4.28Å; D166-W194 PolarHBondContact OD1-NE1 3.39Å; D166-V198 HydrophobicContact CB-CG2 4.21Å
167I98.2Very high97.9Very high0 Ų016 Ų160%09%0.085CC..Hα-helixtrans-66.1-28.9-176.5-64.3168.4000111V20 E24 L83 I162 S163 L164 H169 F170V20-I167 HydrophobicContact CB-CG2 4.26Å; V20-I167 HydrophobicContact CG1-CG2 3.47Å; V20-I167 VanDerWaalsContact CG1-CG2 3.47Å; V20-I167 HydrophobicContact CG2-CG2 3.74Å; E24-I167 HydrophobicContact CG-CD1 4.11Å; L83-I167 HydrophobicContact CD1-CD1 3.6Å; L83-I167 HydrophobicContact CD2-CD1 3.63Å; L83-I167 HydrophobicContact CG-CD1 4.25Å; I162-I167 HydrophobicContact CD1-CD1 4.44Å; I162-I167 HydrophobicContact CD1-CG1 4.11Å; I162-I167 HydrophobicContact CG1-CG1 4.42Å; S163-I167 WeakPolarHBondContact O-CG1 3.42Å; S163-I167 PolarHBondContact O-N 3.35Å; L164-I167 PolarHBondContact O-N 2.8Å; I167-H169 PolarHBondContact O-N 3.49Å; I167-F170 PolarHBondContact O-N 2.81Å
168S98.6Very high97.6Very high0 Ų018.1 Ų18.10%010%0.103CC..THydrogen-bonded Turntrans-67.4-20.6-179.2-65.40000114.2R17 L99 L164 D166 P171R17-S168 PolarHBondContact NE-O 3.45Å; L99-S168 VanDerWaalsContact CD1-OG 3.25Å; L99-S168 WeakPolarHBondContact CD1-OG 3.28Å; L164-S168 WeakPolarHBondContact CD1-OG 3.21Å; L164-S168 VanDerWaalsContact O-CB 3.25Å; L164-S168 WeakPolarHBondContact O-CB 3.42Å; L164-S168 PolarHBondContact O-N 3.36Å; L164-S168 PolarHBondContact O-OG 3.45Å; D166-S168 PolarHBondContact O-N 3.16Å; S168-P171 WeakPolarHBondContact O-CD 3.4Å
169H98.7Very high97.4Very high1 Ų118.5 Ų18.51%0.00511%0.105CC..THydrogen-bonded Turntrans-79-23.8175.5-62.877.7000113.6E102 F106 Y147 L157 A165 D166 I167 P171 T172 V173 W194E102-H169 WeakPolarHBondContact CB-CE1 3.33Å; E102-H169 WeakPolarHBondContact CB-NE2 3.32Å; E102-H169 WeakPolarHBondContact CG-CE1 3.25Å; E102-H169 VanDerWaalsContact CG-NE2 3.32Å; E102-H169 WeakPolarHBondContact CG-NE2 3.48Å; F106-H169 AromaticContact CD1-CD2 3.58Å; F106-H169 AromaticContact CE1-CD2 3.93Å; F106-H169 AromaticContact CG-CD2 3.64Å; Y147-H169 AromaticContact CE1-CD2 3.88Å; Y147-H169 AromaticContact CE1-NE2 3.34Å; Y147-H169 VanDerWaalsContact CE1-NE2 3.34Å; Y147-H169 WeakPolarHBondContact CE1-NE2 3.37Å; Y147-H169 AromaticContact CZ-NE2 3.56Å; Y147-H169 PolarHBondContact OH-NE2 3.23Å; L157-H169 WeakPolarHBondContact CD1-CE1 3.44Å; A165-H169 PolarHBondContact O-CE1 3.29Å; A165-H169 PolarHBondContact O-ND1 3.47Å; D166-H169 PolarHBondContact O-N 2.94Å; I167-H169 PolarHBondContact O-N 3.49Å; H169-P171 VanDerWaalsContact C-N 3.31Å; H169-P171 VanDerWaalsContact O-N 3.15Å; H169-T172 PolarHBondContact O-N 3.34Å; H169-T172 PolarHBondContact O-OG1 3.27Å; H169-T172 VanDerWaalsContact O-OG1 3.07Å; H169-V173 HydrophobicContact CB-CG2 4.16Å; H169-V173 WeakPolarHBondContact O-CG2 3.18Å; H169-V173 PolarHBondContact O-N 2.61Å; H169-W194 HydrophobicContact CB-CH2 3.7Å; H169-W194 HydrophobicContact CB-CZ2 4.27Å; H169-W194 AromaticContact CD2-CH2 3.88Å; H169-W194 AromaticContact CG-CH2 3.59Å; H169-W194 AromaticContact ND1-CH2 3.92Å; H169-W194 AromaticContact ND1-CZ2 3.95Å
170F98Very high97.1Very high1 Ų122.3 Ų22.30%0.00414%0.135CC..Hα-helixtrans-51.8-42.5-170.8122.4-101.5000113.4M16 V20 I167 T172 V173 Y174 V198 M199 V204 V207 T208M16-F170 HydrophobicContact CB-CE1 4.09Å; M16-F170 HydrophobicContact CB-CZ 3.97Å; M16-F170 HydrophobicContact CE-CE1 4.43Å; M16-F170 HydrophobicContact CE-CE2 3.46Å; M16-F170 VanDerWaalsContact CE-CE2 3.46Å; M16-F170 HydrophobicContact CE-CZ 3.41Å; M16-F170 VanDerWaalsContact CE-CZ 3.41Å; V20-F170 HydrophobicContact CB-CD1 3.97Å; V20-F170 HydrophobicContact CB-CE1 3.65Å; V20-F170 HydrophobicContact CG1-CD1 3.78Å; V20-F170 HydrophobicContact CG1-CE1 3.76Å; V20-F170 HydrophobicContact CG2-CD1 4.18Å; V20-F170 HydrophobicContact CG2-CE1 4.21Å; I167-F170 PolarHBondContact O-N 2.81Å; F170-T172 PolarHBondContact O-N 2.93Å; F170-V173 PolarHBondContact O-N 3.36Å; F170-Y174 WeakPolarHBondContact O-CB 3.4Å; F170-Y174 PolarHBondContact O-N 3.08Å; F170-V198 HydrophobicContact CB-CG1 4.02Å; F170-M199 HydrophobicContact CD2-SD 4.09Å; F170-V204 HydrophobicContact CB-CG1 4.49Å; F170-V204 HydrophobicContact CB-CG2 4.24Å; F170-V204 HydrophobicContact CD1-CG2 4.29Å; F170-V204 HydrophobicContact CD2-CB 4.45Å; F170-V204 HydrophobicContact CD2-CG1 3.47Å; F170-V204 VanDerWaalsContact CD2-CG1 3.47Å; F170-V204 HydrophobicContact CD2-CG2 4.34Å; F170-V204 HydrophobicContact CE2-CG1 3.89Å; F170-V204 HydrophobicContact CG-CG1 3.99Å; F170-V204 HydrophobicContact CG-CG2 4Å; F170-V207 HydrophobicContact CE1-CG1 4.36Å; F170-V207 HydrophobicContact CZ-CB 4.13Å; F170-V207 HydrophobicContact CZ-CG1 3.71Å; F170-T208 HydrophobicContact CD2-CG2 4.38Å; F170-T208 HydrophobicContact CE2-CG2 3.53Å; F170-T208 HydrophobicContact CZ-CG2 4.33Å
171P97.5Very high97Very high0 Ų018.3 Ų18.30%011%0.112CC..Hα-helixtrans-62.6-43-175.5-24.435.7000113T13 M16 R17 S168 H169 Y175T13-P171 HydrophobicContact CG2-CB 4.24Å; T13-P171 VanDerWaalsContact O-CB 3.23Å; T13-P171 WeakPolarHBondContact O-CB 3.37Å; T13-P171 WeakPolarHBondContact O-CG 3.48Å; M16-P171 HydrophobicContact CB-CB 3.92Å; M16-P171 HydrophobicContact CB-CG 3.95Å; M16-P171 HydrophobicContact CE-CB 4.29Å; M16-P171 HydrophobicContact SD-CB 4.34Å; R17-P171 HydrophobicContact CB-CG 4.04Å; S168-P171 WeakPolarHBondContact O-CD 3.4Å; H169-P171 VanDerWaalsContact C-N 3.31Å; H169-P171 VanDerWaalsContact O-N 3.15Å; P171-Y175 WeakPolarHBondContact O-CD2 3.25Å; P171-Y175 PolarHBondContact O-N 3.35Å
172T97.1Very high96.9Very high0 Ų017.7 Ų17.70%011%0.114CC..Hα-helixtrans-76.5-35.4-179.552.40000111.3T13 F106 M110 I114 H169 F170 Y175 L176T13-T172 HydrophobicContact CG2-CG2 4.44Å; F106-T172 WeakPolarHBondContact CE1-OG1 3.42Å; M110-T172 HydrophobicContact CB-CG2 4.29Å; I114-T172 HydrophobicContact CD1-CG2 3.66Å; H169-T172 PolarHBondContact O-N 3.34Å; H169-T172 PolarHBondContact O-OG1 3.27Å; H169-T172 VanDerWaalsContact O-OG1 3.07Å; F170-T172 PolarHBondContact O-N 2.93Å; T172-Y175 PolarHBondContact O-N 2.95Å; T172-L176 PolarHBondContact O-N 2.94Å
173V97.1Very high96.9Very high4 Ų420.4 Ų20.42%0.02414%0.135CC..Hα-helixtrans-60.5-43171.9167.30000111.6F106 H169 F170 Y175 L176 L177 I195 M199F106-V173 HydrophobicContact CE1-CG2 4.12Å; F106-V173 HydrophobicContact CZ-CG2 3.89Å; H169-V173 HydrophobicContact CB-CG2 4.16Å; H169-V173 WeakPolarHBondContact O-CG2 3.18Å; H169-V173 PolarHBondContact O-N 2.61Å; F170-V173 PolarHBondContact O-N 3.36Å; V173-Y175 VanDerWaalsContact C-N 3.3Å; V173-Y175 PolarHBondContact O-N 2.93Å; V173-L176 WeakPolarHBondContact O-CB 3.44Å; V173-L176 PolarHBondContact O-N 3.34Å; V173-L176 VanDerWaalsContact O-N 3.11Å; V173-L177 HydrophobicContact CG1-CD1 3.97Å; V173-L177 HydrophobicContact CG1-CG 4.25Å; V173-L177 WeakPolarHBondContact O-CG 3.24Å; V173-L177 PolarHBondContact O-N 3.43Å; V173-I195 HydrophobicContact CG1-CB 4.3Å; V173-I195 HydrophobicContact CG1-CD1 3.97Å; V173-I195 HydrophobicContact CG1-CG1 3.93Å; V173-I195 HydrophobicContact CG1-CG2 3.49Å; V173-I195 VanDerWaalsContact CG1-CG2 3.49Å; V173-I195 HydrophobicContact CG2-CD1 4.14Å; V173-I195 HydrophobicContact CG2-CG1 4.23Å; V173-M199 HydrophobicContact CG1-CG 4.43Å; V173-M199 HydrophobicContact CG1-SD 4.28Å
174Y96.2Very high96.8Very high37 Ų3721.3 Ų21.315%0.14514%0.141CC..Hα-helixtrans-55.5-45.7176.5173.7-102000111.8M16 F170 L177 A178 M199 T208 L211 M213M16-Y174 HydrophobicContact CE-CD1 3.75Å; M16-Y174 HydrophobicContact CE-CE1 4.35Å; M16-Y174 HydrophobicContact CE-CG 4.11Å; F170-Y174 WeakPolarHBondContact O-CB 3.4Å; F170-Y174 PolarHBondContact O-N 3.08Å; Y174-L177 PolarHBondContact O-N 2.86Å; Y174-A178 PolarHBondContact O-N 3.41Å; Y174-A178 VanDerWaalsContact O-N 3.16Å; Y174-M199 HydrophobicContact CD2-CE 3.96Å; Y174-T208 HydrophobicContact CD2-CG2 3.42Å; Y174-T208 VanDerWaalsContact CD2-CG2 3.42Å; Y174-T208 HydrophobicContact CE2-CG2 3.55Å; Y174-T208 HydrophobicContact CG-CG2 4.05Å; Y174-L211 HydrophobicContact CE1-CD1 4.17Å; Y174-M213 HydrophobicContact CD1-SD 4.23Å; Y174-M213 HydrophobicContact CE1-CG 3.81Å; Y174-M213 HydrophobicContact CE1-SD 3.4Å; Y174-M213 WeakPolarHBondContact CE1-SD 3.39Å; Y174-M213 WeakPolarHBondContact OH-CG 3.23Å
175Y96.1Very high96.8Very high4 Ų421.4 Ų21.42%0.01614%0.142CC..Hα-helixtrans-69.5-36.4175.1-80.6-74.5000113.3M11 T13 M16 I114 F118 P171 T172 V173 L177 A178 S179 M213M11-Y175 PolarHBondContact O-OH 3.47Å; T13-Y175 HydrophobicContact CG2-CD2 3.5Å; T13-Y175 VanDerWaalsContact CG2-CD2 3.5Å; T13-Y175 HydrophobicContact CG2-CE2 3.58Å; M16-Y175 HydrophobicContact SD-CE2 4.02Å; I114-Y175 HydrophobicContact CD1-CG 4.49Å; I114-Y175 HydrophobicContact CG1-CG 4.47Å; I114-Y175 HydrophobicContact CG2-CD1 4.4Å; I114-Y175 HydrophobicContact CG2-CD2 4.34Å; I114-Y175 HydrophobicContact CG2-CG 4.09Å; F118-Y175 HydrophobicContact CB-CD1 4.49Å; F118-Y175 HydrophobicContact CD1-CD1 4.14Å; F118-Y175 HydrophobicContact CD1-CE1 4.45Å; F118-Y175 AromaticContact CD2-CD1 3.75Å; F118-Y175 HydrophobicContact CD2-CD1 3.75Å; F118-Y175 HydrophobicContact CD2-CG 4.45Å; F118-Y175 HydrophobicContact CE1-CD1 4.29Å; F118-Y175 AromaticContact CE2-CD1 3.91Å; F118-Y175 HydrophobicContact CE2-CD1 3.91Å; F118-Y175 HydrophobicContact CE2-CG 4.46Å; F118-Y175 VanDerWaalsContact CE2-O 3.25Å; F118-Y175 WeakPolarHBondContact CE2-O 3.39Å; F118-Y175 AromaticContact CG-CD1 3.87Å; F118-Y175 HydrophobicContact CG-CD1 3.87Å; F118-Y175 HydrophobicContact CG-CE1 4.29Å; F118-Y175 HydrophobicContact CZ-CD1 4.16Å; F118-Y175 VanDerWaalsContact CZ-O 3.27Å; F118-Y175 WeakPolarHBondContact CZ-O 3.42Å; P171-Y175 WeakPolarHBondContact O-CD2 3.25Å; P171-Y175 PolarHBondContact O-N 3.35Å; T172-Y175 PolarHBondContact O-N 2.95Å; V173-Y175 VanDerWaalsContact C-N 3.3Å; V173-Y175 PolarHBondContact O-N 2.93Å; Y175-L177 VanDerWaalsContact C-N 3.32Å; Y175-L177 PolarHBondContact O-N 3.34Å; Y175-A178 PolarHBondContact O-N 2.83Å; Y175-S179 PolarHBondContact O-N 2.7Å; Y175-S179 VanDerWaalsContact O-N 3.16Å; Y175-M213 HydrophobicContact CD1-CE 4.37Å; Y175-M213 HydrophobicContact CD1-SD 4.02Å; Y175-M213 HydrophobicContact CE1-CE 4.14Å; Y175-M213 HydrophobicContact CE1-SD 3.67Å
176L96Very high96.7Very high1 Ų127.6 Ų27.61%0.00517%0.17CC..Hα-helixtrans-58.7-47.2174.5-17958.9000110.9M110 L140 T172 V173 A178 S179 H181 V184 L185M110-L176 HydrophobicContact CE-CB 3.65Å; M110-L176 HydrophobicContact CE-CD1 4.13Å; M110-L176 HydrophobicContact CE-CG 4.3Å; M110-L176 HydrophobicContact SD-CB 4.3Å; M110-L176 HydrophobicContact SD-CD1 4.21Å; M110-L176 HydrophobicContact SD-CD2 4.09Å; M110-L176 HydrophobicContact SD-CG 4.43Å; L140-L176 HydrophobicContact CD2-CD1 4.36Å; L140-L176 HydrophobicContact CD2-CD2 4.19Å; T172-L176 PolarHBondContact O-N 2.94Å; V173-L176 WeakPolarHBondContact O-CB 3.44Å; V173-L176 PolarHBondContact O-N 3.34Å; V173-L176 VanDerWaalsContact O-N 3.11Å; L176-A178 VanDerWaalsContact C-N 3.27Å; L176-A178 PolarHBondContact O-N 3.31Å; L176-S179 WeakPolarHBondContact O-CB 3.43Å; L176-S179 PolarHBondContact O-N 3.1Å; L176-S179 PolarHBondContact O-OG 3.28Å; L176-H181 HydrophobicContact CD1-CB 4.37Å; L176-V184 HydrophobicContact CD1-CG1 4.29Å; L176-V184 HydrophobicContact CD2-CG1 4.25Å; L176-L185 HydrophobicContact CD2-CD1 4.19Å; L176-L185 HydrophobicContact CD2-CD2 4.06Å; L176-L185 HydrophobicContact CD2-CG 4.16Å
177L95.5Very high96.7Very high73 Ų7331 Ų3138%0.38220%0.199SC..Hα-helixtrans-64.4-31179.5-67.8176.1000112.6V173 Y174 Y175 S179 L185 I195 M199V173-L177 HydrophobicContact CG1-CD1 3.97Å; V173-L177 HydrophobicContact CG1-CG 4.25Å; V173-L177 WeakPolarHBondContact O-CG 3.24Å; V173-L177 PolarHBondContact O-N 3.43Å; Y174-L177 PolarHBondContact O-N 2.86Å; Y175-L177 VanDerWaalsContact C-N 3.32Å; Y175-L177 PolarHBondContact O-N 3.34Å; L177-S179 VanDerWaalsContact C-N 3.28Å; L177-L185 HydrophobicContact CD2-CD1 3.69Å; L177-I195 HydrophobicContact CD1-CG2 4.03Å; L177-M199 HydrophobicContact CD1-CG 4.19Å
178A93.7Very high96.7Very high45 Ų4532.1 Ų32.137%0.37220%0.203SC..THydrogen-bonded Turntrans-79.6-7.5174.200000113.7F118 Y174 Y175 L176 M213F118-A178 HydrophobicContact CE1-CB 4.33Å; F118-A178 HydrophobicContact CZ-CB 4.04Å; Y174-A178 PolarHBondContact O-N 3.41Å; Y174-A178 VanDerWaalsContact O-N 3.16Å; Y175-A178 PolarHBondContact O-N 2.83Å; L176-A178 VanDerWaalsContact C-N 3.27Å; L176-A178 PolarHBondContact O-N 3.31Å; A178-M213 HydrophobicContact CB-CE 3.98Å; A178-M213 HydrophobicContact CB-SD 4.12Å
179S93Very high96.7Very high17 Ų1736.1 Ų36.112%0.11923%0.229CC..SBendtrans-94.2164.1-176.380.90000112.7Y175 L176 L177 H181 A182Y175-S179 PolarHBondContact O-N 2.7Å; Y175-S179 VanDerWaalsContact O-N 3.16Å; L176-S179 WeakPolarHBondContact O-CB 3.43Å; L176-S179 PolarHBondContact O-N 3.1Å; L176-S179 PolarHBondContact O-OG 3.28Å; L177-S179 VanDerWaalsContact C-N 3.28Å; S179-H181 PolarHBondContact O-N 3.37Å; S179-H181 PolarHBondContact OG-N 3.11Å; S179-H181 VanDerWaalsContact OG-N 3.09Å; S179-A182 PolarHBondContact O-N 2.89Å
180A94Very high96.7Very high94 Ų9442.4 Ų42.478%0.77725%0.253SS*.THydrogen-bonded Turntrans-63.8-6.7170.400000113.9
181H95.9Very high96.8Very high40 Ų4042.4 Ų42.419%0.18525%0.253CS..THydrogen-bonded Turntrans-1055.8-175.5-53.9-64.1000113.7V133 L137 L176 S179 S183 V184V133-H181 WeakPolarHBondContact CG1-NE2 3.43Å; L137-H181 HydrophobicContact CD1-CB 4.46Å; L137-H181 HydrophobicContact CD2-CB 3.93Å; L176-H181 HydrophobicContact CD1-CB 4.37Å; S179-H181 PolarHBondContact O-N 3.37Å; S179-H181 PolarHBondContact OG-N 3.11Å; S179-H181 VanDerWaalsContact OG-N 3.09Å; H181-S183 PolarHBondContact O-N 3Å; H181-V184 WeakPolarHBondContact O-CB 3.36Å; H181-V184 VanDerWaalsContact O-CG1 3.24Å; H181-V184 WeakPolarHBondContact O-CG1 3.42Å; H181-V184 PolarHBondContact O-N 3.38Å
182A96.3Very high96.8Very high25 Ų2545.7 Ų45.721%0.20727%0.267CS..G310 helixtrans-53.6-29.7177.400000113.2S179 V184 L185S179-A182 PolarHBondContact O-N 2.89Å; A182-V184 PolarHBondContact O-N 2.91Å; A182-V184 VanDerWaalsContact O-N 3.08Å; A182-L185 WeakPolarHBondContact O-CB 3.34Å; A182-L185 PolarHBondContact O-N 3.43Å; A182-L185 VanDerWaalsContact O-N 3.12Å
183S96.7Very high96.9Very high85 Ų8548.4 Ų48.459%0.59429%0.29SS*.G310 helixtrans-61.9-14.4178.258.60000114.5H181 L185 E186H181-S183 PolarHBondContact O-N 3Å; S183-L185 PolarHBondContact O-N 3.44Å; S183-E186 WeakPolarHBondContact O-CB 3.31Å; S183-E186 WeakPolarHBondContact O-CG 3.5Å; S183-E186 PolarHBondContact O-N 3.41Å; S183-E186 VanDerWaalsContact O-N 3.15Å
184V97.5Very high97Very high20 Ų2048.7 Ų48.712%0.12129%0.29CS..G310 helixtrans-57.8-29.2172.273.90000111.9L140 K141 L144 L176 H181 A182 E186 Y188L140-V184 HydrophobicContact CD2-CG1 4.16Å; K141-V184 HydrophobicContact CG-CG2 3.8Å; L144-V184 HydrophobicContact CD1-CG1 4.35Å; L144-V184 HydrophobicContact CD1-CG2 4.37Å; L176-V184 HydrophobicContact CD1-CG1 4.29Å; L176-V184 HydrophobicContact CD2-CG1 4.25Å; H181-V184 WeakPolarHBondContact O-CB 3.36Å; H181-V184 VanDerWaalsContact O-CG1 3.24Å; H181-V184 WeakPolarHBondContact O-CG1 3.42Å; H181-V184 PolarHBondContact O-N 3.38Å; A182-V184 PolarHBondContact O-N 2.91Å; A182-V184 VanDerWaalsContact O-N 3.08Å; V184-E186 VanDerWaalsContact C-N 3.29Å; V184-E186 PolarHBondContact O-N 3.06Å; V184-Y188 VanDerWaalsContact O-CD2 3.25Å; V184-Y188 WeakPolarHBondContact O-CD2 3.33Å; V184-Y188 VanDerWaalsContact O-CE2 3.32Å; V184-Y188 WeakPolarHBondContact O-CE2 3.33Å
185L98.1Very high97.1Very high3 Ų347.1 Ų47.12%0.01628%0.284CS..G310 helixtrans-72.5-18.8-178.9-61.6175000113.4L144 L176 L177 A182 S183 A187 Y188 V191 I195L144-L185 HydrophobicContact CD1-CD2 4.04Å; L176-L185 HydrophobicContact CD2-CD1 4.19Å; L176-L185 HydrophobicContact CD2-CD2 4.06Å; L176-L185 HydrophobicContact CD2-CG 4.16Å; L177-L185 HydrophobicContact CD2-CD1 3.69Å; A182-L185 WeakPolarHBondContact O-CB 3.34Å; A182-L185 PolarHBondContact O-N 3.43Å; A182-L185 VanDerWaalsContact O-N 3.12Å; S183-L185 PolarHBondContact O-N 3.44Å; L185-A187 PolarHBondContact O-N 2.77Å; L185-Y188 CarbonylContact O-C 3.59Å; L185-Y188 PolarHBondContact O-N 2.93Å; L185-V191 HydrophobicContact CD2-CG1 4.14Å; L185-I195 HydrophobicContact CD1-CD1 3.71Å; L185-I195 HydrophobicContact CD2-CD1 3.72Å; L185-I195 HydrophobicContact CG-CD1 4.37Å
186E97.9Very high97.2Very high130 Ų13050.1 Ų50.161%0.60730%0.301SS*.G310 helixtrans-65.1-21.8-178.6-62.1-57.8142.700112.8S183 V184 Y188S183-E186 WeakPolarHBondContact O-CB 3.31Å; S183-E186 WeakPolarHBondContact O-CG 3.5Å; S183-E186 PolarHBondContact O-N 3.41Å; S183-E186 VanDerWaalsContact O-N 3.15Å; V184-E186 VanDerWaalsContact C-N 3.29Å; V184-E186 PolarHBondContact O-N 3.06Å; E186-Y188 VanDerWaalsContact C-N 3.27Å; E186-Y188 PolarHBondContact O-N 2.8Å
187A98.4Very high97.3Very high72 Ų7252.9 Ų52.960%0.59532%0.315SS*.G310 helixtrans-78-9.117400000113.6L185L185-A187 PolarHBondContact O-N 2.77Å
188Y98.7Very high97.4Very high22 Ų2249.6 Ų49.69%0.08630%0.299CS..  trans-131.674.8-170.1-50.1-76.6000110.6K141 L144 E145 E148 V184 L185 E186 R190 V191 K192K141-Y188 WeakPolarHBondContact CA-OH 3.46Å; K141-Y188 WeakPolarHBondContact CB-OH 3.47Å; K141-Y188 PolarHBondContact O-OH 2.86Å; L144-Y188 HydrophobicContact CB-CD1 4Å; L144-Y188 HydrophobicContact CB-CD2 3.76Å; L144-Y188 HydrophobicContact CB-CE1 3.86Å; L144-Y188 HydrophobicContact CB-CE2 3.61Å; L144-Y188 HydrophobicContact CB-CG 3.94Å; L144-Y188 HydrophobicContact CD1-CD2 3.67Å; L144-Y188 HydrophobicContact CD1-CE2 3.61Å; L144-Y188 HydrophobicContact CG-CD2 4.32Å; L144-Y188 HydrophobicContact CG-CE2 4.27Å; E145-Y188 HydrophobicContact CG-CE1 3.83Å; E148-Y188 HydrophobicContact CB-CD1 4Å; E148-Y188 HydrophobicContact CG-CD1 4.37Å; E148-Y188 WeakPolarHBondContact OE2-CA 3.4Å; V184-Y188 VanDerWaalsContact O-CD2 3.25Å; V184-Y188 WeakPolarHBondContact O-CD2 3.33Å; V184-Y188 VanDerWaalsContact O-CE2 3.32Å; V184-Y188 WeakPolarHBondContact O-CE2 3.33Å; L185-Y188 CarbonylContact O-C 3.59Å; L185-Y188 PolarHBondContact O-N 2.93Å; E186-Y188 VanDerWaalsContact C-N 3.27Å; E186-Y188 PolarHBondContact O-N 2.8Å; Y188-R190 VanDerWaalsContact C-N 3.29Å; Y188-R190 PolarHBondContact O-N 3.25Å; Y188-V191 WeakPolarHBondContact O-CB 3.17Å; Y188-V191 PolarHBondContact O-N 3.22Å; Y188-K192 PolarHBondContact O-N 3.3Å
189P98.7Very high97.6Very high85 Ų8548.8 Ų48.855%0.55229%0.287SS*.Hα-helixtrans-62.7-30.5-170.323.8-34.3000114E148 A193E148-P189 WeakPolarHBondContact OE1-CD 3.48Å; P189-A193 WeakPolarHBondContact O-CB 3.32Å; P189-A193 PolarHBondContact O-N 3.31Å
190R98.8Very high97.8Very high133 Ų13353.7 Ų53.750%0.50231%0.308SS..Hα-helixtrans-77.4-40177.6-59.7178.2-172.4-62.3-4.6111.3E148 L151 Y188 K192 A193 W194E148-R190 WeakPolarHBondContact OE1-CB 3.39Å; E148-R190 WeakPolarHBondContact OE1-CG 3.17Å; E148-R190 PolarHBondContact OE1-N 2.87Å; E148-R190 WeakPolarHBondContact OE2-CA 3.46Å; E148-R190 WeakPolarHBondContact OE2-CB 3.27Å; E148-R190 PolarHBondContact OE2-N 3.26Å; L151-R190 HydrophobicContact CB-CB 3.86Å; Y188-R190 VanDerWaalsContact C-N 3.29Å; Y188-R190 PolarHBondContact O-N 3.25Å; R190-K192 VanDerWaalsContact C-N 3.29Å; R190-K192 PolarHBondContact O-N 3.23Å; R190-A193 PolarHBondContact O-N 2.99Å; R190-W194 WeakPolarHBondContact O-CB 3.39Å; R190-W194 PolarHBondContact O-N 3.37Å
191V98.8Very high98Very high0 Ų051.8 Ų51.80%028%0.281CS..Hα-helixtrans-56.4-48.1169.4176.60000110L144 E148 L151 L185 Y188 A193 W194 I195L144-V191 HydrophobicContact CD2-CG1 3.86Å; L144-V191 HydrophobicContact CD2-CG2 4.44Å; E148-V191 HydrophobicContact CB-CG2 4.14Å; E148-V191 PolarHBondContact OE2-N 3.38Å; L151-V191 HydrophobicContact CD1-CB 4.36Å; L151-V191 HydrophobicContact CD1-CG2 3.99Å; L185-V191 HydrophobicContact CD2-CG1 4.14Å; Y188-V191 WeakPolarHBondContact O-CB 3.17Å; Y188-V191 PolarHBondContact O-N 3.22Å; V191-A193 VanDerWaalsContact C-N 3.34Å; V191-A193 PolarHBondContact O-N 3.35Å; V191-W194 HydrophobicContact CG1-CE3 4.2Å; V191-W194 HydrophobicContact CG1-CZ3 4.43Å; V191-W194 PolarHBondContact O-N 2.97Å; V191-I195 HydrophobicContact CG1-CD1 3.83Å; V191-I195 HydrophobicContact CG1-CG1 4.34Å; V191-I195 WeakPolarHBondContact O-CG1 3.37Å; V191-I195 PolarHBondContact O-N 2.95Å
192K98.4Very high98.1Very high69 Ų6955 Ų5530%0.331%0.305SS..Hα-helixtrans-59.3-45.7179.4-170-175.7176.4-59.20111.5Y188 R190 W194 I195 D196Y188-K192 PolarHBondContact O-N 3.3Å; R190-K192 VanDerWaalsContact C-N 3.29Å; R190-K192 PolarHBondContact O-N 3.23Å; K192-W194 PolarHBondContact O-N 3.09Å; K192-I195 PolarHBondContact O-N 2.87Å; K192-D196 IonicContact NZ-OD1 2.76Å; K192-D196 IonicContact NZ-OD2 3.1Å; K192-D196 PolarHBondContact NZ-OD2 3.12Å; K192-D196 WeakPolarHBondContact O-CB 3.41Å; K192-D196 PolarHBondContact O-N 3.02Å
193A98.5Very high98.2Very high58 Ų5854.2 Ų54.248%0.47930%0.298SS..Hα-helixtrans-62.8-39.617700000113P189 R190 V191 D196 D197P189-A193 WeakPolarHBondContact O-CB 3.32Å; P189-A193 PolarHBondContact O-N 3.31Å; R190-A193 PolarHBondContact O-N 2.99Å; V191-A193 VanDerWaalsContact C-N 3.34Å; V191-A193 PolarHBondContact O-N 3.35Å; A193-D196 PolarHBondContact O-N 2.78Å; A193-D197 PolarHBondContact O-N 2.77Å
194W98.8Very high98.2Very high10 Ų1050.1 Ų50.14%0.03827%0.27CS..Hα-helixtrans-65.6-44.1174.9163.281.3000112L151 Y156 L157 D166 H169 R190 V191 K192 D196 D197 V198L151-W194 HydrophobicContact CD1-CB 3.67Å; L151-W194 HydrophobicContact CD1-CD2 4.06Å; L151-W194 HydrophobicContact CD1-CE3 4.15Å; L151-W194 HydrophobicContact CD1-CG 3.85Å; L151-W194 HydrophobicContact CD2-CB 4Å; L151-W194 HydrophobicContact CD2-CG 3.88Å; L151-W194 HydrophobicContact CG-CB 4.46Å; Y156-W194 AromaticContact CD1-CD1 3.93Å; L157-W194 HydrophobicContact CD1-CH2 4.27Å; L157-W194 HydrophobicContact CD1-CZ2 3.69Å; L157-W194 HydrophobicContact CG-CZ2 4.11Å; D166-W194 HydrophobicContact CB-CZ2 4.28Å; D166-W194 PolarHBondContact OD1-NE1 3.39Å; H169-W194 HydrophobicContact CB-CH2 3.7Å; H169-W194 HydrophobicContact CB-CZ2 4.27Å; H169-W194 AromaticContact CD2-CH2 3.88Å; H169-W194 AromaticContact CG-CH2 3.59Å; H169-W194 AromaticContact ND1-CH2 3.92Å; H169-W194 AromaticContact ND1-CZ2 3.95Å; R190-W194 WeakPolarHBondContact O-CB 3.39Å; R190-W194 PolarHBondContact O-N 3.37Å; V191-W194 HydrophobicContact CG1-CE3 4.2Å; V191-W194 HydrophobicContact CG1-CZ3 4.43Å; V191-W194 PolarHBondContact O-N 2.97Å; K192-W194 PolarHBondContact O-N 3.09Å; W194-D196 VanDerWaalsContact C-N 3.33Å; W194-D196 PolarHBondContact O-N 3.15Å; W194-D197 PolarHBondContact O-N 2.6Å; W194-V198 HydrophobicContact CZ2-CG2 4.47Å; W194-V198 WeakPolarHBondContact O-CG2 3.37Å; W194-V198 PolarHBondContact O-N 3.47Å
195I98.6Very high98.2Very high3 Ų352.7 Ų52.72%0.01528%0.28CS..Hα-helixtrans-57.9-48.3172.8-76.6173.2000110.2V173 L177 L185 V191 K192 D197 V198 M199V173-I195 HydrophobicContact CG1-CB 4.3Å; V173-I195 HydrophobicContact CG1-CD1 3.97Å; V173-I195 HydrophobicContact CG1-CG1 3.93Å; V173-I195 HydrophobicContact CG1-CG2 3.49Å; V173-I195 VanDerWaalsContact CG1-CG2 3.49Å; V173-I195 HydrophobicContact CG2-CD1 4.14Å; V173-I195 HydrophobicContact CG2-CG1 4.23Å; L177-I195 HydrophobicContact CD1-CG2 4.03Å; L185-I195 HydrophobicContact CD1-CD1 3.71Å; L185-I195 HydrophobicContact CD2-CD1 3.72Å; L185-I195 HydrophobicContact CG-CD1 4.37Å; V191-I195 HydrophobicContact CG1-CD1 3.83Å; V191-I195 HydrophobicContact CG1-CG1 4.34Å; V191-I195 WeakPolarHBondContact O-CG1 3.37Å; V191-I195 PolarHBondContact O-N 2.95Å; K192-I195 PolarHBondContact O-N 2.87Å; I195-D197 VanDerWaalsContact C-N 3.28Å; I195-D197 PolarHBondContact O-N 3.14Å; I195-V198 PolarHBondContact O-N 3.17Å; I195-M199 HydrophobicContact CG2-CG 4.03Å; I195-M199 WeakPolarHBondContact O-CB 3.35Å; I195-M199 VanDerWaalsContact O-CG 3.23Å; I195-M199 WeakPolarHBondContact O-CG 3.41Å; I195-M199 PolarHBondContact O-N 2.97Å
196D98.2Very high98.1Very high67 Ų6758 Ų5836%0.35830%0.303SS..Hα-helixtrans-57.6-44.3179.9-72.1-24.8000110K192 A193 W194 M199 Q200K192-D196 IonicContact NZ-OD1 2.76Å; K192-D196 IonicContact NZ-OD2 3.1Å; K192-D196 PolarHBondContact NZ-OD2 3.12Å; K192-D196 WeakPolarHBondContact O-CB 3.41Å; K192-D196 PolarHBondContact O-N 3.02Å; A193-D196 PolarHBondContact O-N 2.78Å; W194-D196 VanDerWaalsContact C-N 3.33Å; W194-D196 PolarHBondContact O-N 3.15Å; D196-M199 PolarHBondContact O-N 2.88Å; D196-Q200 VanDerWaalsContact O-CG 3.25Å; D196-Q200 WeakPolarHBondContact O-CG 3.36Å; D196-Q200 PolarHBondContact O-N 2.95Å
197D98.4Very high98Very high59 Ų5952 Ų5232%0.31628%0.275SS..Hα-helixtrans-64.2-44.5177.2-168.467.9000113.1Y156 A193 W194 I195 Q200Y156-D197 WeakPolarHBondContact CE1-OD2 3.42Å; Y156-D197 PolarHBondContact OH-OD2 2.94Å; A193-D197 PolarHBondContact O-N 2.77Å; W194-D197 PolarHBondContact O-N 2.6Å; I195-D197 VanDerWaalsContact C-N 3.28Å; I195-D197 PolarHBondContact O-N 3.14Å; D197-Q200 PolarHBondContact O-N 3Å
198V98.5Very high97.8Very high5 Ų549.6 Ų49.63%0.0325%0.253CS..Hα-helixtrans-62.6-44.2176.1172.70000110.9D166 F170 W194 I195 Q200 R201 V204D166-V198 HydrophobicContact CB-CG2 4.21Å; F170-V198 HydrophobicContact CB-CG1 4.02Å; W194-V198 HydrophobicContact CZ2-CG2 4.47Å; W194-V198 WeakPolarHBondContact O-CG2 3.37Å; W194-V198 PolarHBondContact O-N 3.47Å; I195-V198 PolarHBondContact O-N 3.17Å; V198-Q200 VanDerWaalsContact C-N 3.26Å; V198-Q200 PolarHBondContact O-N 3.35Å; V198-R201 WeakPolarHBondContact O-CB 3.47Å; V198-R201 VanDerWaalsContact O-CG 3.28Å; V198-R201 WeakPolarHBondContact O-CG 3.43Å; V198-R201 PolarHBondContact O-N 2.92Å; V198-V204 HydrophobicContact CG1-CG2 4.5Å; V198-V204 WeakPolarHBondContact O-CG2 3.33Å
199M97.4Very high97.4Very high28 Ų2855.7 Ų55.714%0.13828%0.282CS..Hα-helixtrans-69.8-21.9-179.7-67.2-57.1-6300113.1F170 V173 Y174 L177 I195 D196 R201 V204 T208F170-M199 HydrophobicContact CD2-SD 4.09Å; V173-M199 HydrophobicContact CG1-CG 4.43Å; V173-M199 HydrophobicContact CG1-SD 4.28Å; Y174-M199 HydrophobicContact CD2-CE 3.96Å; L177-M199 HydrophobicContact CD1-CG 4.19Å; I195-M199 HydrophobicContact CG2-CG 4.03Å; I195-M199 WeakPolarHBondContact O-CB 3.35Å; I195-M199 VanDerWaalsContact O-CG 3.23Å; I195-M199 WeakPolarHBondContact O-CG 3.41Å; I195-M199 PolarHBondContact O-N 2.97Å; D196-M199 PolarHBondContact O-N 2.88Å; M199-R201 VanDerWaalsContact C-N 3.3Å; M199-V204 HydrophobicContact CE-CG1 4.05Å; M199-V204 HydrophobicContact SD-CG1 3.89Å; M199-T208 HydrophobicContact CE-CG2 4.32Å
200Q97.5Very high96.7Very high120 Ų12055.6 Ų55.656%0.56129%0.288SS*.THydrogen-bonded Turntrans-78.8-9.8174.9-72.7-53.2-49.700114D196 D197 V198 K205D196-Q200 VanDerWaalsContact O-CG 3.25Å; D196-Q200 WeakPolarHBondContact O-CG 3.36Å; D196-Q200 PolarHBondContact O-N 2.95Å; D197-Q200 PolarHBondContact O-N 3Å; V198-Q200 VanDerWaalsContact C-N 3.26Å; V198-Q200 PolarHBondContact O-N 3.35Å; Q200-K205 WeakPolarHBondContact O-CE 3.32Å
201R97.8Very high95.9Very high53 Ų5350.1 Ų50.120%0.227%0.269CS..SBendtrans-62.1138.2-178.5-66.2-1757273.8-0.6112.1E24 I162 V198 M199 S203 V204 K205E24-R201 VanDerWaalsContact CD-NH2 3.33Å; E24-R201 IonicContact OE1-CZ 3.34Å; E24-R201 IonicContact OE1-NE 3.03Å; E24-R201 PolarHBondContact OE1-NE 3.09Å; E24-R201 IonicContact OE1-NH2 3.06Å; E24-R201 PolarHBondContact OE1-NH2 3.36Å; E24-R201 IonicContact OE2-CZ 3.83Å; E24-R201 IonicContact OE2-NH2 2.81Å; E24-R201 PolarHBondContact OE2-NH2 2.87Å; I162-R201 HydrophobicContact CD1-CG 4.5Å; I162-R201 VanDerWaalsContact CD1-NH1 3.32Å; V198-R201 WeakPolarHBondContact O-CB 3.47Å; V198-R201 VanDerWaalsContact O-CG 3.28Å; V198-R201 WeakPolarHBondContact O-CG 3.43Å; V198-R201 PolarHBondContact O-N 2.92Å; M199-R201 VanDerWaalsContact C-N 3.3Å; R201-S203 VanDerWaalsContact C-N 3.31Å; R201-S203 PolarHBondContact O-N 3.2Å; R201-V204 HydrophobicContact CB-CB 4.2Å; R201-V204 HydrophobicContact CB-CG2 4.08Å; R201-V204 PolarHBondContact O-N 3.48Å; R201-V204 VanDerWaalsContact O-N 3.15Å; R201-K205 PolarHBondContact O-N 2.73Å
202P98.2Very high94Very high107 Ų10759.9 Ų59.970%0.69531%0.311SS*.Hα-helixtrans-56.7-41-179.5-27.335.2000114.1K205 K206P202-K205 PolarHBondContact O-N 3.26Å; P202-K206 WeakPolarHBondContact O-CB 3.02Å; P202-K206 PolarHBondContact O-N 2.67Å
203S97.7Very high92.1Very high9 Ų958.9 Ų58.96%0.06331%0.308CS..Hα-helixtrans-58.5-49.7175.552.40000111.6E24 R201 K206 V207E24-S203 VanDerWaalsContact CD-OG 3.31Å; E24-S203 WeakPolarHBondContact OE1-CB 3.49Å; E24-S203 PolarHBondContact OE1-OG 3.44Å; R201-S203 VanDerWaalsContact C-N 3.31Å; R201-S203 PolarHBondContact O-N 3.2Å; S203-K206 PolarHBondContact O-N 3.16Å; S203-V207 WeakPolarHBondContact O-CG2 3.4Å; S203-V207 PolarHBondContact O-N 3.42Å
204V97.7Very high89.7Confident0 Ų059.2 Ų59.20%031%0.306CS..Hα-helixtrans-63.2-44.8178.4172.60000111.2V20 F170 V198 M199 R201 K206 V207 T208V20-V204 HydrophobicContact CG2-CG2 3.7Å; F170-V204 HydrophobicContact CB-CG1 4.49Å; F170-V204 HydrophobicContact CB-CG2 4.24Å; F170-V204 HydrophobicContact CD1-CG2 4.29Å; F170-V204 HydrophobicContact CD2-CB 4.45Å; F170-V204 HydrophobicContact CD2-CG1 3.47Å; F170-V204 VanDerWaalsContact CD2-CG1 3.47Å; F170-V204 HydrophobicContact CD2-CG2 4.34Å; F170-V204 HydrophobicContact CE2-CG1 3.89Å; F170-V204 HydrophobicContact CG-CG1 3.99Å; F170-V204 HydrophobicContact CG-CG2 4Å; V198-V204 HydrophobicContact CG1-CG2 4.5Å; V198-V204 WeakPolarHBondContact O-CG2 3.33Å; M199-V204 HydrophobicContact CE-CG1 4.05Å; M199-V204 HydrophobicContact SD-CG1 3.89Å; R201-V204 HydrophobicContact CB-CB 4.2Å; R201-V204 HydrophobicContact CB-CG2 4.08Å; R201-V204 PolarHBondContact O-N 3.48Å; R201-V204 VanDerWaalsContact O-N 3.15Å; V204-K206 PolarHBondContact O-N 2.95Å; V204-V207 PolarHBondContact O-N 2.91Å; V204-T208 HydrophobicContact CG1-CG2 4.43Å; V204-T208 WeakPolarHBondContact O-CG2 3.45Å; V204-T208 PolarHBondContact O-N 3.33Å; V204-T208 PolarHBondContact O-OG1 3.37Å
205K96.9Very high87Confident74 Ų7464.4 Ų64.432%0.32234%0.343SS..Hα-helixtrans-59.6-47.2175.3-72.4-172.9-179.6179.90111.7Q200 R201 P202 V207 T208 E209Q200-K205 WeakPolarHBondContact O-CE 3.32Å; R201-K205 PolarHBondContact O-N 2.73Å; P202-K205 PolarHBondContact O-N 3.26Å; K205-V207 VanDerWaalsContact C-N 3.32Å; K205-V207 PolarHBondContact O-N 3.04Å; K205-T208 WeakPolarHBondContact CA-OG1 3.4Å; K205-T208 PolarHBondContact O-N 2.86Å; K205-T208 VanDerWaalsContact O-N 3.15Å; K205-T208 PolarHBondContact O-OG1 2.96Å; K205-E209 WeakPolarHBondContact O-CB 2.98Å; K205-E209 VanDerWaalsContact O-CG 3.25Å; K205-E209 WeakPolarHBondContact O-CG 3.29Å; K205-E209 PolarHBondContact O-N 3.21Å
206K96.1Very high84.5Confident114 Ų11471.2 Ų71.250%0.49640%0.4SS..Hα-helixtrans-61.3-41.4-179.7-169.8171.7175.1-143.60112.2E23 P202 S203 V204 A210E23-K206 WeakPolarHBondContact OE1-CD 3.48Å; E23-K206 WeakPolarHBondContact OE1-CE 3.3Å; E23-K206 IonicContact OE1-NZ 3.98Å; E23-K206 PolarHBondContact OE1-NZ 2.94Å; E23-K206 WeakPolarHBondContact OE2-CD 3.37Å; E23-K206 IonicContact OE2-NZ 3.12Å; E23-K206 PolarHBondContact OE2-NZ 2.76Å; P202-K206 WeakPolarHBondContact O-CB 3.02Å; P202-K206 PolarHBondContact O-N 2.67Å; S203-K206 PolarHBondContact O-N 3.16Å; V204-K206 PolarHBondContact O-N 2.95Å; K206-A210 PolarHBondContact O-N 3.22Å
207V96.4Very high83.8Confident4 Ų471.4 Ų71.42%0.02440%0.402CS..Hα-helixtrans-65.3-44.7174.8176.80000111.1M16 L19 V20 E23 F170 S203 V204 K205 A210 L211M16-V207 HydrophobicContact CB-CG1 4.36Å; M16-V207 HydrophobicContact CG-CG1 4.37Å; L19-V207 HydrophobicContact CB-CG1 4.14Å; L19-V207 HydrophobicContact CB-CG2 3.82Å; L19-V207 HydrophobicContact CD1-CG1 4.44Å; V20-V207 HydrophobicContact CB-CG2 4.24Å; E23-V207 HydrophobicContact CG-CG2 4.03Å; F170-V207 HydrophobicContact CE1-CG1 4.36Å; F170-V207 HydrophobicContact CZ-CB 4.13Å; F170-V207 HydrophobicContact CZ-CG1 3.71Å; S203-V207 WeakPolarHBondContact O-CG2 3.4Å; S203-V207 PolarHBondContact O-N 3.42Å; V204-V207 PolarHBondContact O-N 2.91Å; K205-V207 VanDerWaalsContact C-N 3.32Å; K205-V207 PolarHBondContact O-N 3.04Å; V207-A210 PolarHBondContact O-N 3.15Å; V207-L211 WeakPolarHBondContact O-CG 3.48Å
208T93.8Very high83Confident21 Ų2172.1 Ų72.113%0.12941%0.407CS..Hα-helixtrans-73.1-34.5-177.551.70000113.9F170 Y174 M199 V204 K205 A210 L211F170-T208 HydrophobicContact CD2-CG2 4.38Å; F170-T208 HydrophobicContact CE2-CG2 3.53Å; F170-T208 HydrophobicContact CZ-CG2 4.33Å; Y174-T208 HydrophobicContact CD2-CG2 3.42Å; Y174-T208 VanDerWaalsContact CD2-CG2 3.42Å; Y174-T208 HydrophobicContact CE2-CG2 3.55Å; Y174-T208 HydrophobicContact CG-CG2 4.05Å; M199-T208 HydrophobicContact CE-CG2 4.32Å; V204-T208 HydrophobicContact CG1-CG2 4.43Å; V204-T208 WeakPolarHBondContact O-CG2 3.45Å; V204-T208 PolarHBondContact O-N 3.33Å; V204-T208 PolarHBondContact O-OG1 3.37Å; K205-T208 WeakPolarHBondContact CA-OG1 3.4Å; K205-T208 PolarHBondContact O-N 2.86Å; K205-T208 VanDerWaalsContact O-N 3.15Å; K205-T208 PolarHBondContact O-OG1 2.96Å; T208-A210 VanDerWaalsContact C-N 3.27Å; T208-A210 PolarHBondContact O-N 3.11Å; T208-L211 WeakPolarHBondContact O-CB 3.26Å; T208-L211 PolarHBondContact O-N 3.29Å
209E90.5Very high82.1Confident151 Ų15175.8 Ų75.871%0.70643%0.428SS*.Hα-helixtrans-65.4-30.5175.1-75.1170.8-174.100112.4K205 L211K205-E209 WeakPolarHBondContact O-CB 2.98Å; K205-E209 VanDerWaalsContact O-CG 3.25Å; K205-E209 WeakPolarHBondContact O-CG 3.29Å; K205-E209 PolarHBondContact O-N 3.21Å; E209-L211 PolarHBondContact O-N 3.18Å
210A84Confident81.3Confident83 Ų8378.6 Ų78.669%0.68645%0.445SS*.THydrogen-bonded Turntrans-71.3-16.5173.100000112.8K206 V207 T208K206-A210 PolarHBondContact O-N 3.22Å; V207-A210 PolarHBondContact O-N 3.15Å; T208-A210 VanDerWaalsContact C-N 3.27Å; T208-A210 PolarHBondContact O-N 3.11Å
211L82Confident80.2Confident18 Ų1876 Ų769%0.09444%0.437CS..  trans-93.1104.7178.8-58.2173.2000109.9A10 M11 M16 Y174 V207 T208 E209 M213A10-L211 HydrophobicContact CB-CD2 3.89Å; A10-L211 WeakPolarHBondContact O-CD2 3.37Å; M11-L211 HydrophobicContact CB-CD2 4.33Å; M16-L211 HydrophobicContact CE-CD1 3.48Å; M16-L211 VanDerWaalsContact CE-CD1 3.48Å; M16-L211 HydrophobicContact CG-CD1 3.99Å; M16-L211 HydrophobicContact SD-CD1 3.62Å; Y174-L211 HydrophobicContact CE1-CD1 4.17Å; V207-L211 WeakPolarHBondContact O-CG 3.48Å; T208-L211 WeakPolarHBondContact O-CB 3.26Å; T208-L211 PolarHBondContact O-N 3.29Å; E209-L211 PolarHBondContact O-N 3.18Å; L211-M213 VanDerWaalsContact C-N 3.27Å; L211-M213 PolarHBondContact O-N 2.88Å
212K57.9Low79.1Confident204 Ų20477.5 Ų77.589%0.88745%0.453SS*.  trans-76.584.8163.2-69.2-173.8-179-178.90108.6
213M58.8Low77.7Confident48 Ų4875.4 Ų75.424%0.23644%0.436CS..PPolyproline II helixtrans-63.5129170-95-153.153.300109.7F118 Y174 Y175 A178 L211 S215F118-M213 HydrophobicContact CD1-CE 4.02Å; F118-M213 HydrophobicContact CE1-CE 3.71Å; Y174-M213 HydrophobicContact CD1-SD 4.23Å; Y174-M213 HydrophobicContact CE1-CG 3.81Å; Y174-M213 HydrophobicContact CE1-SD 3.4Å; Y174-M213 WeakPolarHBondContact CE1-SD 3.39Å; Y174-M213 WeakPolarHBondContact OH-CG 3.23Å; Y175-M213 HydrophobicContact CD1-CE 4.37Å; Y175-M213 HydrophobicContact CD1-SD 4.02Å; Y175-M213 HydrophobicContact CE1-CE 4.14Å; Y175-M213 HydrophobicContact CE1-SD 3.67Å; A178-M213 HydrophobicContact CB-CE 3.98Å; A178-M213 HydrophobicContact CB-SD 4.12Å; L211-M213 VanDerWaalsContact C-N 3.27Å; L211-M213 PolarHBondContact O-N 2.88Å; M213-S215 PolarHBondContact O-N 3.31Å
214P47.9Very low76.2Confident66 Ų6680.5 Ų80.543%0.42947%0.465SS..PPolyproline II helixtrans-60.5134.2164.6-13.927.7000108.1M122 A216M122-P214 HydrophobicContact SD-CB 4.33Å; M122-P214 HydrophobicContact SD-CG 4.04Å; P214-A216 PolarHBondContact O-N 3.3Å
215S43.8Very low74.4Confident118 Ų11887.3 Ų87.383%0.82550%0.503SS*.PPolyproline II helixtrans-58.3130168.350.70000109M213M213-S215 PolarHBondContact O-N 3.31Å
216A44.2Very low72.3Confident146 Ų14688.5 Ų88.5100%1.20752%0.52SS*.  trans-620170.300000111.5P214P214-A216 PolarHBondContact O-N 3.3Å

Retrieved 216 of 216 residues in 1169.2 ms (Link to these results)

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