A0A060Y0Y0_ONCMY Loading...

mitogen-activated protein kinase

AlphaFold DB , UniProt , Accession A0A060Y0Y0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110500090, Length 364 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
1M37.6Very low70Confident232 Ų232114.1 Ų114.1100%1.14358%0.581SS**  0118.20-69.2-178-172.500107.8V3M1-V3 PolarHBondContact O-N 2.79Å; M1-V3 VanDerWaalsContact O-N 3.15Å
2S40Very low72Confident113 Ų113110.3 Ų110.379%0.7956%0.559SS**  trans-63112.7-177.5170.80000109.7R4S2-R4 PolarHBondContact O-N 3.44Å
3V51.3Low73.8Confident114 Ų114112.6 Ų112.669%0.69157%0.566SS**  trans-71.494.4175.2-177.50000106.7M1 T5M1-V3 PolarHBondContact O-N 2.79Å; M1-V3 VanDerWaalsContact O-N 3.15Å; V3-T5 VanDerWaalsContact C-N 3.26Å; V3-T5 HydrophobicContact CG1-CG2 4.33Å; V3-T5 PolarHBondContact O-N 3.34Å
4R55.3Low75.2Confident199 Ų199105.5 Ų105.575%0.75153%0.532SS*.  trans-70.987.6170.5-80.1-175.6175.3-179.2-1.3108.5S2 R99S2-R4 PolarHBondContact O-N 3.44Å; R4-R99 PolarHBondContact O-NH2 2.9Å
5T58.5Low76.2Confident61 Ų61105.3 Ų105.337%0.37453%0.533SS..PPolyproline II helixtrans-64.5149.7159.139.90000109.1V3 T7V3-T5 VanDerWaalsContact C-N 3.26Å; V3-T5 HydrophobicContact CG1-CG2 4.33Å; V3-T5 PolarHBondContact O-N 3.34Å; T5-T7 PolarHBondContact O-N 3.13Å
6R71.8Confident77Confident116 Ų116110.9 Ų110.944%0.43855%0.552SS.*PPolyproline II helixtrans-54.8132.6173.4-169.3171.2-178176.70.8109.3F9 S93 I95R6-F9 HydrophobicContact CB-CD2 3.91Å; R6-F9 HydrophobicContact CB-CE2 4.05Å; R6-F9 HydrophobicContact CG-CD2 4.29Å; R6-F9 HydrophobicContact CG-CE2 4.11Å; R6-F9 WeakPolarHBondContact O-CD2 3.34Å; R6-F9 PolarHBondContact O-N 3.12Å; R6-S93 WeakPolarHBondContact CB-O 3.37Å; R6-S93 PolarHBondContact N-O 2.99Å; R6-I95 HydrophobicContact CB-CD1 4.41Å; R6-I95 HydrophobicContact CB-CG1 4.03Å; R6-I95 HydrophobicContact CG-CG1 4.44Å
7T81.9Confident77.8Confident139 Ų139106.2 Ų106.285%0.85353%0.531SS*.THydrogen-bonded Turntrans-55.8140.9177.649.90000110.4T5T5-T7 PolarHBondContact O-N 3.13Å
8G89.9Confident78.7Confident40 Ų40102.1 Ų102.141%0.41252%0.516SS..THydrogen-bonded Turntrans84.615.4-177.500000114.8P22 E23G8-P22 CarbonylContact O-C 3.52Å; G8-P22 WeakPolarHBondContact O-CA 3.45Å; G8-E23 WeakPolarHBondContact O-CG 3.4Å; G8-E23 PolarHBondContact O-N 3.16Å
9F94.8Very high79.5Confident32 Ų3296.7 Ų96.714%0.1449%0.489CS..EExtended strand (participates in β ladder)trans-111.6147.8167.9-76.6-111.6000110.3R6 V21 P22 F91 T92R6-F9 HydrophobicContact CB-CD2 3.91Å; R6-F9 HydrophobicContact CB-CE2 4.05Å; R6-F9 HydrophobicContact CG-CD2 4.29Å; R6-F9 HydrophobicContact CG-CE2 4.11Å; R6-F9 WeakPolarHBondContact O-CD2 3.34Å; R6-F9 PolarHBondContact O-N 3.12Å; F9-V21 WeakPolarHBondContact CA-O 3.39Å; F9-V21 VanDerWaalsContact CD1-C 3.44Å; F9-P22 HydrophobicContact CD1-CG 4.34Å; F9-P22 VanDerWaalsContact CE1-CD 3.49Å; F9-P22 HydrophobicContact CE1-CG 3.77Å; F9-P22 HydrophobicContact CE2-CG 4.3Å; F9-P22 HydrophobicContact CZ-CG 3.74Å; F9-F91 AromaticContact CE1-CD2 3.7Å; F9-F91 HydrophobicContact CE1-CD2 3.7Å; F9-F91 HydrophobicContact CE1-CE2 4.21Å; F9-F91 HydrophobicContact CE1-CG 4.44Å; F9-F91 HydrophobicContact CZ-CB 4.39Å; F9-F91 HydrophobicContact CZ-CD2 4.24Å; F9-T92 WeakPolarHBondContact CZ-O 3.36Å
10Y94.6Very high80.3Confident38 Ų3893.1 Ų93.115%0.14947%0.47CS..EExtended strand (participates in β ladder)trans-125.3157.3169.576.5-80.4000110.4Q12 E20 V21 E23 Y25 R26 L28Y10-Q12 HydrophobicContact CD2-CB 4.29Å; Y10-Q12 HydrophobicContact CE2-CB 3.86Å; Y10-E20 WeakPolarHBondContact O-CA 3.33Å; Y10-V21 HydrophobicContact CD1-CG2 4.01Å; Y10-V21 WeakPolarHBondContact CD1-O 3.38Å; Y10-V21 HydrophobicContact CE1-CG2 3.36Å; Y10-V21 HydrophobicContact CE2-CG2 4.32Å; Y10-V21 PolarHBondContact N-O 3.1Å; Y10-V21 PolarHBondContact O-N 3.24Å; Y10-E23 HydrophobicContact CD1-CG 4.32Å; Y10-Y25 VanDerWaalsContact CE1-O 3.27Å; Y10-Y25 WeakPolarHBondContact CE1-O 3.48Å; Y10-Y25 PolarHBondContact OH-O 3.34Å; Y10-R26 VanDerWaalsContact CG-NH1 3.27Å; Y10-L28 VanDerWaalsContact OH-CD1 3.23Å; Y10-L28 WeakPolarHBondContact OH-CD1 3.42Å
11R94.2Very high81.1Confident171 Ų17188.7 Ų88.765%0.64545%0.448SS*.EExtended strand (participates in β ladder)trans-107.3133.8178.6-173.3171.1174.5150.3-10.5110.7W19 E20R11-W19 CarbonylContact C-O 3.55Å; R11-W19 VanDerWaalsContact CA-O 3.24Å; R11-W19 WeakPolarHBondContact CA-O 3.46Å; R11-E20 HydrophobicContact CB-CG 4.21Å; R11-E20 HydrophobicContact CG-CG 4.01Å; R11-E20 IonicContact CZ-OE1 2.72Å; R11-E20 IonicContact NE-OE1 3.81Å; R11-E20 IonicContact NH1-OE1 2.68Å; R11-E20 PolarHBondContact NH1-OE1 3.3Å
12Q94.7Very high83.9Confident69 Ų6978.6 Ų78.632%0.32240%0.4SS..EExtended strand (participates in β ladder)trans-140.9139.5175.8-179.1179.8-2.900109.7Y10 V14 W19Y10-Q12 HydrophobicContact CD2-CB 4.29Å; Y10-Q12 HydrophobicContact CE2-CB 3.86Å; Q12-V14 HydrophobicContact CG-CG2 4.03Å; Q12-W19 PolarHBondContact N-O 3.06Å; Q12-W19 WeakPolarHBondContact O-CB 3.11Å; Q12-W19 PolarHBondContact O-N 3.05Å
13E95.3Very high86.5Confident140 Ų14077.9 Ų77.965%0.65438%0.384SS*.EExtended strand (participates in β ladder)trans-88.1126.3168.6-166.6175.7136.900109.7K16 T17E13-K16 WeakPolarHBondContact OE1-CA 3.4Å; E13-T17 WeakPolarHBondContact CA-O 3.43Å
14V93.6Very high88.6Confident13 Ų1375.2 Ų75.28%0.07936%0.361CS..EExtended strand (participates in β ladder)trans-127.2113.6175.5-174.80000107.4Q12 K16 T17 W19 L28 Q30Q12-V14 HydrophobicContact CG-CG2 4.03Å; V14-K16 PolarHBondContact O-N 3.45Å; V14-T17 PolarHBondContact N-O 3.04Å; V14-T17 WeakPolarHBondContact O-CB 3.48Å; V14-T17 PolarHBondContact O-N 2.68Å; V14-W19 HydrophobicContact CG2-CG 4.48Å; V14-L28 HydrophobicContact CG2-CB 3.95Å; V14-L28 HydrophobicContact CG2-CD2 4.39Å; V14-Q30 HydrophobicContact CG1-CB 4.1Å
15N89.4Confident90.7Very high102 Ų10265.8 Ų65.855%0.54533%0.326SS..THydrogen-bonded Turntrans46.856.7-179.2-69.4-46.8000113.2T17 Q30N15-T17 PolarHBondContact O-N 3.03Å; N15-T17 VanDerWaalsContact O-N 3.15Å; N15-Q30 WeakPolarHBondContact ND2-CB 3.47Å; N15-Q30 PolarHBondContact ND2-OE1 3.06Å
16K89.3Confident92.5Very high195 Ų19565.4 Ų65.485%0.84832%0.318SS*.THydrogen-bonded Turntrans64.811.7177.7-50.8179.1-178.9179.60115.1E13 V14E13-K16 WeakPolarHBondContact OE1-CA 3.4Å; V14-K16 PolarHBondContact O-N 3.45Å
17T90.3Very high93.6Very high31 Ų3166.5 Ų66.519%0.1933%0.328CS..EExtended strand (participates in β ladder)trans-111.7128.7173-54.80000108.5E13 V14 N15 K55E13-T17 WeakPolarHBondContact CA-O 3.43Å; V14-T17 PolarHBondContact N-O 3.04Å; V14-T17 WeakPolarHBondContact O-CB 3.48Å; V14-T17 PolarHBondContact O-N 2.68Å; N15-T17 PolarHBondContact O-N 3.03Å; N15-T17 VanDerWaalsContact O-N 3.15Å; T17-K55 HydrophobicContact CG2-CD 3.97Å
18A93.4Very high94.3Very high32 Ų3260.5 Ų60.526%0.26429%0.29SS..EExtended strand (participates in β ladder)trans-78.9126.6172.900000110.1K55A18-K55 PolarHBondContact O-NZ 3.42Å
19W95.4Very high94.6Very high0 Ų065.6 Ų65.60%030%0.301CS..EExtended strand (participates in β ladder)trans-112.1133.4177-70.573.4000109.4R11 Q12 V14 V21 L28 T38 C40 I53 K55 Y104R11-W19 CarbonylContact C-O 3.55Å; R11-W19 VanDerWaalsContact CA-O 3.24Å; R11-W19 WeakPolarHBondContact CA-O 3.46Å; Q12-W19 PolarHBondContact N-O 3.06Å; Q12-W19 WeakPolarHBondContact O-CB 3.11Å; Q12-W19 PolarHBondContact O-N 3.05Å; V14-W19 HydrophobicContact CG2-CG 4.48Å; W19-V21 HydrophobicContact CB-CG1 4.31Å; W19-V21 HydrophobicContact CE3-CG1 4.04Å; W19-L28 HydrophobicContact CB-CD2 4.01Å; W19-L28 HydrophobicContact CD2-CD2 3.95Å; W19-L28 HydrophobicContact CE3-CD2 3.78Å; W19-L28 HydrophobicContact CG-CD2 4.04Å; W19-T38 VanDerWaalsContact CH2-O 3.28Å; W19-T38 WeakPolarHBondContact CH2-O 3.16Å; W19-T38 HydrophobicContact CZ2-CG2 3.83Å; W19-C40 HydrophobicContact CH2-CB 4.01Å; W19-C40 HydrophobicContact CZ2-CB 4.3Å; W19-C40 WeakPolarHBondContact CZ2-SG 3.24Å; W19-C40 HydrophobicContact CZ3-CB 4.29Å; W19-I53 VanDerWaalsContact CH2-O 3.32Å; W19-I53 WeakPolarHBondContact CH2-O 3.18Å; W19-I53 HydrophobicContact CZ3-CB 4.21Å; W19-I53 HydrophobicContact CZ3-CG2 3.91Å; W19-K55 HydrophobicContact CD2-CB 4.47Å; W19-K55 HydrophobicContact CD2-CD 4.37Å; W19-K55 HydrophobicContact CE3-CB 4.16Å; W19-K55 HydrophobicContact CH2-CB 3.53Å; W19-K55 HydrophobicContact CZ2-CB 3.86Å; W19-K55 HydrophobicContact CZ3-CB 3.71Å; W19-Y104 HydrophobicContact CD2-CE1 4.16Å; W19-Y104 AromaticContact CE3-CD1 3.77Å; W19-Y104 HydrophobicContact CE3-CD1 3.77Å; W19-Y104 AromaticContact CE3-CE1 3.5Å; W19-Y104 HydrophobicContact CE3-CE1 3.5Å; W19-Y104 VanDerWaalsContact CE3-CE1 3.5Å; W19-Y104 AromaticContact CZ3-CD1 3.81Å; W19-Y104 HydrophobicContact CZ3-CD1 3.81Å; W19-Y104 AromaticContact CZ3-CE1 3.97Å; W19-Y104 HydrophobicContact CZ3-CE1 3.97Å
20E95.1Very high94.6Very high25 Ų2567.1 Ų67.112%0.11731%0.309CS..EExtended strand (participates in β ladder)trans-121.6102.5173.2-65.1-174.7175.700107.7Y10 R11 S93 Y104Y10-E20 WeakPolarHBondContact O-CA 3.33Å; R11-E20 HydrophobicContact CB-CG 4.21Å; R11-E20 HydrophobicContact CG-CG 4.01Å; R11-E20 IonicContact CZ-OE1 2.72Å; R11-E20 IonicContact NE-OE1 3.81Å; R11-E20 IonicContact NH1-OE1 2.68Å; R11-E20 PolarHBondContact NH1-OE1 3.3Å; E20-S93 WeakPolarHBondContact OE2-CB 3.34Å; E20-S93 PolarHBondContact OE2-OG 3.05Å; E20-Y104 PolarHBondContact N-OH 3.3Å; E20-Y104 VanDerWaalsContact N-OH 3.11Å; E20-Y104 WeakPolarHBondContact O-CE2 3.47Å
21V96.1Very high94.4Very high0 Ų068.3 Ų68.30%032%0.32CS..EExtended strand (participates in β ladder)trans-128.5151.6-169.2-59.40000111.1F9 Y10 W19 L28 F91 Y104F9-V21 WeakPolarHBondContact CA-O 3.39Å; F9-V21 VanDerWaalsContact CD1-C 3.44Å; Y10-V21 HydrophobicContact CD1-CG2 4.01Å; Y10-V21 WeakPolarHBondContact CD1-O 3.38Å; Y10-V21 HydrophobicContact CE1-CG2 3.36Å; Y10-V21 HydrophobicContact CE2-CG2 4.32Å; Y10-V21 PolarHBondContact N-O 3.1Å; Y10-V21 PolarHBondContact O-N 3.24Å; W19-V21 HydrophobicContact CB-CG1 4.31Å; W19-V21 HydrophobicContact CE3-CG1 4.04Å; V21-L28 HydrophobicContact CG1-CD2 4.14Å; V21-L28 HydrophobicContact CG2-CD1 4.05Å; V21-L28 HydrophobicContact CG2-CD2 4.22Å; V21-F91 HydrophobicContact CB-CE2 4.14Å; V21-F91 HydrophobicContact CB-CZ 4Å; V21-F91 HydrophobicContact CG1-CE2 4Å; V21-F91 HydrophobicContact CG1-CZ 3.86Å; V21-Y104 HydrophobicContact CG1-CD1 4.29Å; V21-Y104 HydrophobicContact CG1-CE1 4.19Å
22P96.4Very high94Very high20 Ų2061.6 Ų61.613%0.1330%0.304CS..EExtended strand (participates in β ladder)trans-55.6144.2174-25.932.6000112G8 F9 R24 Y25 F91G8-P22 CarbonylContact O-C 3.52Å; G8-P22 WeakPolarHBondContact O-CA 3.45Å; F9-P22 HydrophobicContact CD1-CG 4.34Å; F9-P22 VanDerWaalsContact CE1-CD 3.49Å; F9-P22 HydrophobicContact CE1-CG 3.77Å; F9-P22 HydrophobicContact CE2-CG 4.3Å; F9-P22 HydrophobicContact CZ-CG 3.74Å; P22-R24 HydrophobicContact CB-CB 4.32Å; P22-R24 PolarHBondContact O-N 2.89Å; P22-Y25 HydrophobicContact CB-CD2 4.11Å; P22-Y25 HydrophobicContact CB-CE2 4.39Å; P22-Y25 HydrophobicContact CG-CD2 4.1Å; P22-Y25 HydrophobicContact CG-CE2 4.17Å; P22-Y25 PolarHBondContact O-N 3.45Å; P22-F91 HydrophobicContact CG-CD1 3.95Å; P22-F91 HydrophobicContact CG-CD2 4.08Å; P22-F91 HydrophobicContact CG-CE1 4.12Å; P22-F91 HydrophobicContact CG-CE2 4.25Å; P22-F91 HydrophobicContact CG-CG 3.93Å; P22-F91 HydrophobicContact CG-CZ 4.27Å
23E95.6Very high93.3Very high99 Ų9962.6 Ų62.646%0.46332%0.315SS..THydrogen-bonded Turntrans-59-16.4177.1-69.2-164.3139.600114.4G8 Y10 Y25 R26G8-E23 WeakPolarHBondContact O-CG 3.4Å; G8-E23 PolarHBondContact O-N 3.16Å; Y10-E23 HydrophobicContact CD1-CG 4.32Å; E23-Y25 VanDerWaalsContact C-N 3.31Å; E23-R26 VanDerWaalsContact CB-NH2 3.31Å; E23-R26 VanDerWaalsContact CG-NH2 3.27Å; E23-R26 PolarHBondContact O-NE 3.16Å; E23-R26 IonicContact OE1-NH2 3.59Å; E23-R26 PolarHBondContact OE1-NH2 2.93Å
24R96.1Very high92.2Very high57 Ų5758.1 Ų58.122%0.21531%0.306CS..THydrogen-bonded Turntrans-57.3-40.6170.3173.4179.6-177.3-178.91.4112.6P22 D44 R45 R46 D89P22-R24 HydrophobicContact CB-CB 4.32Å; P22-R24 PolarHBondContact O-N 2.89Å; R24-D44 WeakPolarHBondContact CG-OD1 3.29Å; R24-D44 IonicContact CZ-OD1 2.63Å; R24-D44 IonicContact CZ-OD2 3.65Å; R24-D44 VanDerWaalsContact NE-CG 3.29Å; R24-D44 IonicContact NE-OD1 2.74Å; R24-D44 PolarHBondContact NE-OD1 3.42Å; R24-D44 IonicContact NE-OD2 3.66Å; R24-D44 PolarHBondContact NE-OD2 3.46Å; R24-D44 IonicContact NH2-OD1 2.71Å; R24-D44 IonicContact NH2-OD2 3.7Å; R24-D44 PolarHBondContact NH2-OD2 3.2Å; R24-R45 WeakPolarHBondContact O-CB 3.45Å; R24-R45 PolarHBondContact O-N 3.12Å; R24-R46 HydrophobicContact CG-CG 4.04Å; R24-D89 IonicContact NH1-OD2 3.78Å
25Y97.9Very high90.9Very high2 Ų261.7 Ų61.71%0.00834%0.337CS..EExtended strand (participates in β ladder)trans-98.4116.2-175.1-57.7-64.8000109.2Y10 P22 E23 Q43 D44 V51 I53 D89 F91 V106Y10-Y25 VanDerWaalsContact CE1-O 3.27Å; Y10-Y25 WeakPolarHBondContact CE1-O 3.48Å; Y10-Y25 PolarHBondContact OH-O 3.34Å; P22-Y25 HydrophobicContact CB-CD2 4.11Å; P22-Y25 HydrophobicContact CB-CE2 4.39Å; P22-Y25 HydrophobicContact CG-CD2 4.1Å; P22-Y25 HydrophobicContact CG-CE2 4.17Å; P22-Y25 PolarHBondContact O-N 3.45Å; E23-Y25 VanDerWaalsContact C-N 3.31Å; Y25-Q43 WeakPolarHBondContact CA-O 3.39Å; Y25-D44 HydrophobicContact CD1-CB 4.1Å; Y25-D44 HydrophobicContact CE1-CB 4.02Å; Y25-V51 HydrophobicContact CD1-CG2 3.82Å; Y25-V51 HydrophobicContact CE1-CG2 3.99Å; Y25-I53 HydrophobicContact CD1-CD1 4.05Å; Y25-I53 HydrophobicContact CD2-CD1 4.03Å; Y25-I53 HydrophobicContact CG-CD1 3.63Å; Y25-D89 VanDerWaalsContact OH-CB 3.25Å; Y25-D89 WeakPolarHBondContact OH-CB 3.48Å; Y25-D89 PolarHBondContact OH-OD2 3.17Å; Y25-F91 AromaticContact CD2-CE1 3.91Å; Y25-F91 HydrophobicContact CD2-CE1 3.91Å; Y25-F91 HydrophobicContact CD2-CZ 4.4Å; Y25-F91 HydrophobicContact CE2-CD1 4.13Å; Y25-F91 AromaticContact CE2-CE1 3.69Å; Y25-F91 HydrophobicContact CE2-CE1 3.69Å; Y25-V106 HydrophobicContact CE1-CG1 4.03Å; Y25-V106 HydrophobicContact CE2-CG2 4.06Å
26R96.4Very high90Very high53 Ų5360.3 Ų60.320%0.233%0.325CS..EExtended strand (participates in β ladder)trans-122.5172-177.6-64.5-60-174167.15.4111.8Y10 E23 L28 A42 Q43 R45Y10-R26 VanDerWaalsContact CG-NH1 3.27Å; E23-R26 VanDerWaalsContact CB-NH2 3.31Å; E23-R26 VanDerWaalsContact CG-NH2 3.27Å; E23-R26 PolarHBondContact O-NE 3.16Å; E23-R26 IonicContact OE1-NH2 3.59Å; E23-R26 PolarHBondContact OE1-NH2 2.93Å; R26-L28 PolarHBondContact O-N 3.44Å; R26-A42 CarbonylContact O-C 3.59Å; R26-A42 WeakPolarHBondContact O-CA 3.29Å; R26-A42 WeakPolarHBondContact O-CB 3.35Å; R26-Q43 PolarHBondContact N-O 3.28Å; R26-Q43 PolarHBondContact O-N 3.11Å; R26-R45 HydrophobicContact CG-CG 4.27Å
27E95.6Very high89.7Confident139 Ų13951.1 Ų51.165%0.6529%0.286SS*.EExtended strand (participates in β ladder)trans58.747.5175.4-60.9169-146.700112.6K29E27-K29 PolarHBondContact O-N 3.36Å
28L97Very high89.7Confident12 Ų1249.8 Ų49.86%0.06328%0.277CS..EExtended strand (participates in β ladder)trans-61123.2178.1-86.269.3000110.3Y10 V14 W19 V21 R26 C40 S41 A42Y10-L28 VanDerWaalsContact OH-CD1 3.23Å; Y10-L28 WeakPolarHBondContact OH-CD1 3.42Å; V14-L28 HydrophobicContact CG2-CB 3.95Å; V14-L28 HydrophobicContact CG2-CD2 4.39Å; W19-L28 HydrophobicContact CB-CD2 4.01Å; W19-L28 HydrophobicContact CD2-CD2 3.95Å; W19-L28 HydrophobicContact CE3-CD2 3.78Å; W19-L28 HydrophobicContact CG-CD2 4.04Å; V21-L28 HydrophobicContact CG1-CD2 4.14Å; V21-L28 HydrophobicContact CG2-CD1 4.05Å; V21-L28 HydrophobicContact CG2-CD2 4.22Å; R26-L28 PolarHBondContact O-N 3.44Å; L28-C40 HydrophobicContact CB-CB 4.34Å; L28-C40 HydrophobicContact CD2-CB 4.44Å; L28-C40 HydrophobicContact CG-CB 4.24Å; L28-S41 VanDerWaalsContact CA-O 3.32Å; L28-S41 WeakPolarHBondContact CA-O 3.37Å; L28-A42 HydrophobicContact CD1-CB 3.98Å; L28-A42 HydrophobicContact CG-CB 4.35Å
29K95.6Very high89.7Confident148 Ų14850 Ų5064%0.64328%0.275SS*.EExtended strand (participates in β ladder)trans-128.4128.3174-175.7178.2-179.8-179.60109.1E27 V31 C40 S41E27-K29 PolarHBondContact O-N 3.36Å; K29-V31 PolarHBondContact O-N 3.4Å; K29-C40 CarbonylContact O-C 3.55Å; K29-C40 WeakPolarHBondContact O-CA 3.43Å; K29-C40 WeakPolarHBondContact O-CB 3.42Å; K29-S41 PolarHBondContact N-O 3.29Å; K29-S41 PolarHBondContact O-N 3.38Å; K29-S41 PolarHBondContact O-OG 3.47Å
30Q94.5Very high89.8Confident63 Ų6350 Ų5029%0.29428%0.275SS..EExtended strand (participates in β ladder)trans-63.1134.3179-169.7-177.92700110.7V14 N15 T33 T38V14-Q30 HydrophobicContact CG1-CB 4.1Å; N15-Q30 WeakPolarHBondContact ND2-CB 3.47Å; N15-Q30 PolarHBondContact ND2-OE1 3.06Å; Q30-T33 PolarHBondContact NE2-OG1 2.82Å; Q30-T38 HydrophobicContact CG-CG2 4.13Å
31V90.9Very high89.9Confident63 Ų6349.4 Ų49.438%0.38227%0.274SS..EExtended strand (participates in β ladder)trans-106.3-40.7175.8176.40000110.4K29 V39 S41 F109K29-V31 PolarHBondContact O-N 3.4Å; V31-V39 HydrophobicContact CB-CG1 4.37Å; V31-V39 PolarHBondContact N-O 2.98Å; V31-S41 VanDerWaalsContact CG2-N 3.33Å; V31-F109 HydrophobicContact CG2-CE2 3.92Å
32G84.9Confident90Very high30 Ų3049.5 Ų49.531%0.30927%0.274SS..EExtended strand (participates in β ladder)trans-173.4168.7178.600000113.5T38 V39G32-T38 WeakPolarHBondContact O-CG2 3.26Å; G32-V39 PolarHBondContact N-O 3.18Å; G32-V39 PolarHBondContact O-N 2.9Å
33T80.9Confident90Very high90 Ų9050.8 Ų50.855%0.55228%0.279SS*.EExtended strand (participates in β ladder)trans-130.5131174.7-65.10000108.8Q30Q30-T33 PolarHBondContact NE2-OG1 2.82Å
34G71.7Confident90.1Very high46 Ų4646.3 Ų46.347%0.47426%0.258SS..EExtended strand (participates in β ladder)trans-121.7178.7174.700000111.6Y36 G37G34-Y36 PolarHBondContact O-N 3.1Å; G34-Y36 VanDerWaalsContact O-N 3.16Å; G34-G37 PolarHBondContact N-O 3.21Å; G34-G37 PolarHBondContact O-N 3.26Å
35A67Low90.1Very high88 Ų8851.8 Ų51.873%0.72728%0.279SS*.THydrogen-bonded Turntrans-60.8-25.6-179.200000113.7
36Y69.8Low89.9Confident73 Ų7361 Ų6129%0.28631%0.314SS..THydrogen-bonded Turntrans-109.3-2.4-172.8-53.1-67.1000113.9G34 H57 F65 R68G34-Y36 PolarHBondContact O-N 3.1Å; G34-Y36 VanDerWaalsContact O-N 3.16Å; Y36-H57 PolarHBondContact O-N 3.15Å; Y36-H57 VanDerWaalsContact O-N 3.17Å; Y36-F65 HydrophobicContact CD1-CE1 4.14Å; Y36-F65 HydrophobicContact CE1-CE1 4.23Å; Y36-R68 PolarHBondContact OH-NH1 3.35Å; Y36-R68 VanDerWaalsContact OH-NH1 3.09Å
37G83.1Confident89.7Confident3 Ų361.3 Ų61.33%0.03132%0.322CS..EExtended strand (participates in β ladder)trans166.7176.5-178.600000114.8G34 K55G34-G37 PolarHBondContact N-O 3.21Å; G34-G37 PolarHBondContact O-N 3.26Å; G37-K55 WeakPolarHBondContact CA-O 3.26Å
38T90.8Very high89.5Confident2 Ų257.1 Ų57.11%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-112.8142.9174.1-57.10000109.3W19 Q30 G32 K54 K55 H57W19-T38 VanDerWaalsContact CH2-O 3.28Å; W19-T38 WeakPolarHBondContact CH2-O 3.16Å; W19-T38 HydrophobicContact CZ2-CG2 3.83Å; Q30-T38 HydrophobicContact CG-CG2 4.13Å; G32-T38 WeakPolarHBondContact O-CG2 3.26Å; T38-K54 CarbonylContact O-C 3.03Å; T38-K54 WeakPolarHBondContact O-CA 3.42Å; T38-K55 PolarHBondContact N-O 2.88Å; T38-K55 VanDerWaalsContact N-O 3.11Å; T38-K55 PolarHBondContact O-N 3.13Å; T38-H57 PolarHBondContact OG1-CE1 3.16Å; T38-H57 PolarHBondContact OG1-NE2 2.98Å
39V93.7Very high89.4Confident37 Ų3760.8 Ų60.822%0.22434%0.338CS..EExtended strand (participates in β ladder)trans-114.2129.4178.4-175.50000109.3V31 G32 A52 I53 K54V31-V39 HydrophobicContact CB-CG1 4.37Å; V31-V39 PolarHBondContact N-O 2.98Å; G32-V39 PolarHBondContact N-O 3.18Å; G32-V39 PolarHBondContact O-N 2.9Å; V39-A52 HydrophobicContact CG1-CB 4.13Å; V39-I53 WeakPolarHBondContact CA-O 3.26Å; V39-K54 HydrophobicContact CG2-CB 4.05Å; V39-K54 HydrophobicContact CG2-CG 4.02Å
40C96.5Very high89.4Confident0 Ų060.3 Ų60.30%033%0.332CS..EExtended strand (participates in β ladder)trans-115.1146.2167.9-67.70000109.9W19 L28 K29 A52 I53W19-C40 HydrophobicContact CH2-CB 4.01Å; W19-C40 HydrophobicContact CZ2-CB 4.3Å; W19-C40 WeakPolarHBondContact CZ2-SG 3.24Å; W19-C40 HydrophobicContact CZ3-CB 4.29Å; L28-C40 HydrophobicContact CB-CB 4.34Å; L28-C40 HydrophobicContact CD2-CB 4.44Å; L28-C40 HydrophobicContact CG-CB 4.24Å; K29-C40 CarbonylContact O-C 3.55Å; K29-C40 WeakPolarHBondContact O-CA 3.43Å; K29-C40 WeakPolarHBondContact O-CB 3.42Å; C40-A52 CarbonylContact O-C 3.5Å; C40-I53 PolarHBondContact N-O 3.4Å; C40-I53 PolarHBondContact O-N 3.05Å
41S96.8Very high89.5Confident13 Ų1357.5 Ų57.59%0.09132%0.319CS..EExtended strand (participates in β ladder)trans-79.1148158.964.10000108.8L28 K29 V31 V51L28-S41 VanDerWaalsContact CA-O 3.32Å; L28-S41 WeakPolarHBondContact CA-O 3.37Å; K29-S41 PolarHBondContact N-O 3.29Å; K29-S41 PolarHBondContact O-N 3.38Å; K29-S41 PolarHBondContact O-OG 3.47Å; V31-S41 VanDerWaalsContact CG2-N 3.33Å; S41-V51 CarbonylContact C-O 3.08Å; S41-V51 VanDerWaalsContact CA-O 3.25Å; S41-V51 WeakPolarHBondContact CA-O 3.37Å
42A97.9Very high89.8Confident1 Ų155 Ų551%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-143.3155.2171.800000110R26 L28 R50 V51 I53R26-A42 CarbonylContact O-C 3.59Å; R26-A42 WeakPolarHBondContact O-CA 3.29Å; R26-A42 WeakPolarHBondContact O-CB 3.35Å; L28-A42 HydrophobicContact CD1-CB 3.98Å; L28-A42 HydrophobicContact CG-CB 4.35Å; A42-R50 WeakPolarHBondContact O-CA 3.34Å; A42-V51 HydrophobicContact CB-CG2 4.24Å; A42-V51 PolarHBondContact N-O 3.4Å; A42-V51 WeakPolarHBondContact O-CG2 3.29Å; A42-V51 PolarHBondContact O-N 3.01Å; A42-I53 HydrophobicContact CB-CD1 3.68Å; A42-I53 HydrophobicContact CB-CG1 4.23Å
43Q97.7Very high90.4Very high48 Ų4853.6 Ų53.622%0.22429%0.291CS..EExtended strand (participates in β ladder)trans-85.9119.2169.9-173.461.834.200108.9Y25 R26 R45 G48Y25-Q43 WeakPolarHBondContact CA-O 3.39Å; R26-Q43 PolarHBondContact N-O 3.28Å; R26-Q43 PolarHBondContact O-N 3.11Å; Q43-R45 PolarHBondContact O-N 3.28Å; Q43-G48 PolarHBondContact NE2-O 2.65Å
44D97.3Very high91Very high5 Ų550.4 Ų50.43%0.02727%0.269CS..EExtended strand (participates in β ladder)trans-80.5108.6170.91773.4000109.5R24 Y25 R46 T47 G48 V49 V51R24-D44 WeakPolarHBondContact CG-OD1 3.29Å; R24-D44 IonicContact CZ-OD1 2.63Å; R24-D44 IonicContact CZ-OD2 3.65Å; R24-D44 VanDerWaalsContact NE-CG 3.29Å; R24-D44 IonicContact NE-OD1 2.74Å; R24-D44 PolarHBondContact NE-OD1 3.42Å; R24-D44 IonicContact NE-OD2 3.66Å; R24-D44 PolarHBondContact NE-OD2 3.46Å; R24-D44 IonicContact NH2-OD1 2.71Å; R24-D44 IonicContact NH2-OD2 3.7Å; R24-D44 PolarHBondContact NH2-OD2 3.2Å; Y25-D44 HydrophobicContact CD1-CB 4.1Å; Y25-D44 HydrophobicContact CE1-CB 4.02Å; D44-R46 PolarHBondContact O-N 2.74Å; D44-R46 WeakPolarHBondContact OD1-CB 3.23Å; D44-R46 PolarHBondContact OD1-N 3.33Å; D44-T47 WeakPolarHBondContact CB-OG1 3.35Å; D44-T47 PolarHBondContact O-N 3.47Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.2Å; D44-T47 PolarHBondContact OD2-OG1 3.34Å; D44-G48 WeakPolarHBondContact O-CA 3.35Å; D44-G48 PolarHBondContact O-N 3.09Å; D44-V49 WeakPolarHBondContact CB-O 3.5Å; D44-V49 PolarHBondContact N-O 2.64Å; D44-V51 HydrophobicContact CB-CG1 4.18Å; D44-V51 HydrophobicContact CB-CG2 4.47Å
45R95.6Very high92.2Very high171 Ų17149.2 Ų49.265%0.64525%0.251SS*.THydrogen-bonded Turntrans-67.5-16.4-178.8-71.1-168.9165.3-167.42114.4R24 R26 Q43R24-R45 WeakPolarHBondContact O-CB 3.45Å; R24-R45 PolarHBondContact O-N 3.12Å; R26-R45 HydrophobicContact CG-CG 4.27Å; Q43-R45 PolarHBondContact O-N 3.28Å
46R93.1Very high93.3Very high196 Ų19645.3 Ų45.374%0.7422%0.218SC*.THydrogen-bonded Turntrans-81.7-38.8177.2-71.8-174.868.2-171.10.9112.3R24 D44R24-R46 HydrophobicContact CG-CG 4.04Å; D44-R46 PolarHBondContact O-N 2.74Å; D44-R46 WeakPolarHBondContact OD1-CB 3.23Å; D44-R46 PolarHBondContact OD1-N 3.33Å
47T92.6Very high94Very high60 Ų6044.9 Ų44.937%0.36822%0.219SC..THydrogen-bonded Turntrans-103.1-18.6-174.858.10000112.9D44 V49 T354D44-T47 WeakPolarHBondContact CB-OG1 3.35Å; D44-T47 PolarHBondContact O-N 3.47Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.2Å; D44-T47 PolarHBondContact OD2-OG1 3.34Å; T47-V49 PolarHBondContact O-N 3.23Å; T47-V49 PolarHBondContact OG1-N 2.96Å; T47-T354 HydrophobicContact CG2-CG2 4.49Å
48G92.8Very high94.2Very high51 Ų5153.8 Ų53.853%0.52625%0.251SS..  trans74.34.3-172.100000113.5Q43 D44Q43-G48 PolarHBondContact NE2-O 2.65Å; D44-G48 WeakPolarHBondContact O-CA 3.35Å; D44-G48 PolarHBondContact O-N 3.09Å
49V93.6Very high94.2Very high89 Ų8953.9 Ų53.954%0.53925%0.252SS..  trans-98.3147.2-177.1-177.80000110.7D44 T47D44-V49 WeakPolarHBondContact CB-O 3.5Å; D44-V49 PolarHBondContact N-O 2.64Å; T47-V49 PolarHBondContact O-N 3.23Å; T47-V49 PolarHBondContact OG1-N 2.96Å
50R95.9Very high94.2Very high138 Ų13853.3 Ų53.352%0.52125%0.246SC..EExtended strand (participates in β ladder)trans-77.4132.9172.7-168.3172.5-68168.42.5110.1A42 F109A42-R50 WeakPolarHBondContact O-CA 3.34Å; R50-F109 HydrophobicContact CB-CB 4.42Å; R50-F109 HydrophobicContact CB-CD1 4.41Å; R50-F109 HydrophobicContact CG-CB 4.18Å; R50-F109 HydrophobicContact CG-CD1 3.97Å; R50-F109 HydrophobicContact CG-CG 3.98Å; R50-F109 VanDerWaalsContact O-CB 3.31Å; R50-F109 WeakPolarHBondContact O-CB 3.44Å
51V97.2Very high94Very high3 Ų358 Ų582%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-122.9156.5-179.4-62.30000111.2Y25 S41 A42 D44 I53 L88 V106Y25-V51 HydrophobicContact CD1-CG2 3.82Å; Y25-V51 HydrophobicContact CE1-CG2 3.99Å; S41-V51 CarbonylContact C-O 3.08Å; S41-V51 VanDerWaalsContact CA-O 3.25Å; S41-V51 WeakPolarHBondContact CA-O 3.37Å; A42-V51 HydrophobicContact CB-CG2 4.24Å; A42-V51 PolarHBondContact N-O 3.4Å; A42-V51 WeakPolarHBondContact O-CG2 3.29Å; A42-V51 PolarHBondContact O-N 3.01Å; D44-V51 HydrophobicContact CB-CG1 4.18Å; D44-V51 HydrophobicContact CB-CG2 4.47Å; V51-I53 HydrophobicContact CG2-CD1 4.43Å; V51-I53 HydrophobicContact CG2-CG1 4.13Å; V51-L88 HydrophobicContact CG1-CD1 3.87Å; V51-V106 HydrophobicContact CB-CG1 3.75Å; V51-V106 HydrophobicContact CG1-CG1 4.14Å; V51-V106 HydrophobicContact CG2-CG1 3.79Å
52A96.8Very high93.7Very high11 Ų1159.5 Ų59.59%0.09128%0.278CS..EExtended strand (participates in β ladder)trans-99.5124.9169.300000109.4V39 C40 V106 M107 F109V39-A52 HydrophobicContact CG1-CB 4.13Å; C40-A52 CarbonylContact O-C 3.5Å; A52-V106 CarbonylContact O-C 3.6Å; A52-V106 WeakPolarHBondContact O-CA 3.45Å; A52-M107 PolarHBondContact N-O 2.95Å; A52-M107 PolarHBondContact O-N 3.4Å; A52-F109 HydrophobicContact CB-CD2 4.34Å
53I97Very high93.4Very high0 Ų062.9 Ų62.90%029%0.293CS..EExtended strand (participates in β ladder)trans-111.5115176.9-49.8-175.9000108.5W19 Y25 V39 C40 A42 V51 F91 Y104 L105 V106W19-I53 VanDerWaalsContact CH2-O 3.32Å; W19-I53 WeakPolarHBondContact CH2-O 3.18Å; W19-I53 HydrophobicContact CZ3-CB 4.21Å; W19-I53 HydrophobicContact CZ3-CG2 3.91Å; Y25-I53 HydrophobicContact CD1-CD1 4.05Å; Y25-I53 HydrophobicContact CD2-CD1 4.03Å; Y25-I53 HydrophobicContact CG-CD1 3.63Å; V39-I53 WeakPolarHBondContact CA-O 3.26Å; C40-I53 PolarHBondContact N-O 3.4Å; C40-I53 PolarHBondContact O-N 3.05Å; A42-I53 HydrophobicContact CB-CD1 3.68Å; A42-I53 HydrophobicContact CB-CG1 4.23Å; V51-I53 HydrophobicContact CG2-CD1 4.43Å; V51-I53 HydrophobicContact CG2-CG1 4.13Å; I53-F91 HydrophobicContact CG2-CE1 4.37Å; I53-F91 HydrophobicContact CG2-CZ 4.04Å; I53-Y104 HydrophobicContact CG2-CD1 4.13Å; I53-Y104 HydrophobicContact CG2-CG 4.5Å; I53-L105 CarbonylContact C-O 3.51Å; I53-L105 WeakPolarHBondContact CA-O 3.42Å; I53-V106 HydrophobicContact CG1-CG1 4.37Å; I53-V106 HydrophobicContact CG1-CG2 4.21Å; I53-V106 HydrophobicContact CG2-CG2 4.39Å
54K95Very high92.9Very high24 Ų2464.2 Ų64.210%0.10430%0.301CS..EExtended strand (participates in β ladder)trans-97.8116175.5-177.9178.3178.8-175.80109.7T38 V39 E72 Y104 L105 M107T38-K54 CarbonylContact O-C 3.03Å; T38-K54 WeakPolarHBondContact O-CA 3.42Å; V39-K54 HydrophobicContact CG2-CB 4.05Å; V39-K54 HydrophobicContact CG2-CG 4.02Å; K54-E72 IonicContact NZ-OE1 2.73Å; K54-E72 PolarHBondContact NZ-OE1 3.12Å; K54-E72 IonicContact NZ-OE2 3.56Å; K54-Y104 CarbonylContact O-C 3.56Å; K54-Y104 VanDerWaalsContact O-CA 3.28Å; K54-Y104 WeakPolarHBondContact O-CA 3.27Å; K54-L105 HydrophobicContact CB-CB 4.41Å; K54-L105 PolarHBondContact N-O 3.15Å; K54-L105 PolarHBondContact O-N 2.8Å; K54-M107 HydrophobicContact CB-CE 3.72Å; K54-M107 HydrophobicContact CD-CE 4.4Å
55K95.2Very high92.5Very high20 Ų2066.7 Ų66.79%0.08731%0.312CS..EExtended strand (participates in β ladder)trans-86.7119.6168.7-179.9-177.91741190109T17 A18 W19 G37 T38 D102 Y104T17-K55 HydrophobicContact CG2-CD 3.97Å; A18-K55 PolarHBondContact O-NZ 3.42Å; W19-K55 HydrophobicContact CD2-CB 4.47Å; W19-K55 HydrophobicContact CD2-CD 4.37Å; W19-K55 HydrophobicContact CE3-CB 4.16Å; W19-K55 HydrophobicContact CH2-CB 3.53Å; W19-K55 HydrophobicContact CZ2-CB 3.86Å; W19-K55 HydrophobicContact CZ3-CB 3.71Å; G37-K55 WeakPolarHBondContact CA-O 3.26Å; T38-K55 PolarHBondContact N-O 2.88Å; T38-K55 VanDerWaalsContact N-O 3.11Å; T38-K55 PolarHBondContact O-N 3.13Å; K55-D102 WeakPolarHBondContact CE-OD2 3.42Å; K55-D102 IonicContact NZ-OD2 3.99Å; K55-D102 PolarHBondContact NZ-OD2 3.15Å; K55-Y104 HydrophobicContact CB-CD1 3.66Å; K55-Y104 HydrophobicContact CB-CE1 3.59Å; K55-Y104 HydrophobicContact CD-CE1 3.68Å; K55-Y104 HydrophobicContact CG-CD1 3.96Å; K55-Y104 HydrophobicContact CG-CE1 3.49Å; K55-Y104 VanDerWaalsContact CG-CE1 3.49Å; K55-Y104 PolarHBondContact NZ-OH 3.21Å
56L91.6Very high92.3Very high6 Ų658.5 Ų58.53%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-75.2131.9174-71.790.6000110.6P59 A69 F103 L105L56-P59 HydrophobicContact CB-CB 4.22Å; L56-P59 HydrophobicContact CB-CG 4.17Å; L56-P59 HydrophobicContact CD2-CB 4.34Å; L56-A69 HydrophobicContact CD2-CB 3.79Å; L56-F103 HydrophobicContact CB-CE1 4.49Å; L56-F103 HydrophobicContact CD1-CD1 4.38Å; L56-F103 HydrophobicContact CD1-CD2 3.73Å; L56-F103 HydrophobicContact CD1-CE1 4.1Å; L56-F103 HydrophobicContact CD1-CE2 3.41Å; L56-F103 VanDerWaalsContact CD1-CE2 3.41Å; L56-F103 HydrophobicContact CD1-CG 4.21Å; L56-F103 HydrophobicContact CD1-CZ 3.62Å; L56-F103 HydrophobicContact CD2-CE1 3.98Å; L56-F103 HydrophobicContact CD2-CE2 4.22Å; L56-F103 HydrophobicContact CD2-CZ 3.59Å; L56-F103 HydrophobicContact CG-CE1 4.42Å; L56-F103 HydrophobicContact CG-CE2 4.41Å; L56-F103 HydrophobicContact CG-CZ 4.15Å; L56-F103 PolarHBondContact N-O 2.87Å; L56-F103 VanDerWaalsContact N-O 3.15Å; L56-L105 HydrophobicContact CD1-CD1 3.72Å; L56-L105 HydrophobicContact CD1-CG 3.89Å
57H83.4Confident92.2Very high65 Ų6551.3 Ų51.330%0.30126%0.255SS..SBendtrans-88.8117.9178.9-73.3-172.4000110.6Y36 T38 P59Y36-H57 PolarHBondContact O-N 3.15Å; Y36-H57 VanDerWaalsContact O-N 3.17Å; T38-H57 PolarHBondContact OG1-CE1 3.16Å; T38-H57 PolarHBondContact OG1-NE2 2.98Å; H57-P59 VanDerWaalsContact C-CD 3.46Å; H57-P59 VanDerWaalsContact C-N 3.32Å
58R86.6Confident92Very high189 Ų18949.6 Ų49.671%0.71324%0.242SC*.SBendtrans43.352.1176.6-55.4-179.1-178.5166.7-0113F60 Q61R58-F60 PolarHBondContact O-N 3.42Å; R58-Q61 HydrophobicContact CB-CB 4.11Å; R58-Q61 HydrophobicContact CB-CG 4.48Å; R58-Q61 WeakPolarHBondContact O-CB 3.48Å; R58-Q61 WeakPolarHBondContact O-CG 3.31Å; R58-Q61 PolarHBondContact O-N 3.37Å; R58-Q61 VanDerWaalsContact O-N 3.08Å
59P91.4Very high91.9Very high4 Ų447.4 Ų47.43%0.02622%0.219CC..THydrogen-bonded Turntrans-57.1-23.8-177.523.7-34.6000112.8L56 H57 F65 A66 A69 H101 F103L56-P59 HydrophobicContact CB-CB 4.22Å; L56-P59 HydrophobicContact CB-CG 4.17Å; L56-P59 HydrophobicContact CD2-CB 4.34Å; H57-P59 VanDerWaalsContact C-CD 3.46Å; H57-P59 VanDerWaalsContact C-N 3.32Å; P59-F65 CarbonylContact O-C 3.5Å; P59-F65 WeakPolarHBondContact O-CB 2.79Å; P59-A66 WeakPolarHBondContact O-CA 3.35Å; P59-A66 PolarHBondContact O-N 3.13Å; P59-A69 HydrophobicContact CB-CB 3.61Å; P59-H101 WeakPolarHBondContact CD-O 3.43Å; P59-F103 HydrophobicContact CB-CE1 4.01Å; P59-F103 HydrophobicContact CG-CD1 4.12Å; P59-F103 HydrophobicContact CG-CE1 3.99Å
60F94Very high91.9Very high25 Ų2543.3 Ų43.311%0.1119%0.194CC..THydrogen-bonded Turntrans-10526.4-178.7-46.2-60000113.7R58 S62 A66 F100 F103 L335 K339 T342R58-F60 PolarHBondContact O-N 3.42Å; F60-S62 VanDerWaalsContact C-N 3.35Å; F60-A66 HydrophobicContact CD1-CB 3.91Å; F60-F100 HydrophobicContact CD2-CD1 4.46Å; F60-F100 HydrophobicContact CD2-CE1 4.46Å; F60-F100 HydrophobicContact CE1-CE1 4.12Å; F60-F100 AromaticContact CE2-CD1 3.62Å; F60-F100 HydrophobicContact CE2-CD1 3.62Å; F60-F100 HydrophobicContact CE2-CD2 4.32Å; F60-F100 AromaticContact CE2-CE1 3.31Å; F60-F100 HydrophobicContact CE2-CE1 3.31Å; F60-F100 HydrophobicContact CE2-CE2 4.04Å; F60-F100 HydrophobicContact CE2-CG 4.11Å; F60-F100 AromaticContact CE2-CZ 3.53Å; F60-F100 HydrophobicContact CE2-CZ 3.53Å; F60-F100 AromaticContact CZ-CD1 3.84Å; F60-F100 HydrophobicContact CZ-CD1 3.84Å; F60-F100 AromaticContact CZ-CE1 3.1Å; F60-F100 HydrophobicContact CZ-CE1 3.1Å; F60-F100 HydrophobicContact CZ-CE2 4.34Å; F60-F100 AromaticContact CZ-CZ 3.4Å; F60-F100 HydrophobicContact CZ-CZ 3.4Å; F60-F103 HydrophobicContact CZ-CD1 4.22Å; F60-F103 HydrophobicContact CZ-CE1 4.13Å; F60-L335 HydrophobicContact CB-CD2 4.12Å; F60-L335 WeakPolarHBondContact O-CD1 3.36Å; F60-K339 HydrophobicContact CB-CD 4.37Å; F60-K339 HydrophobicContact CD1-CB 3.84Å; F60-K339 HydrophobicContact CD1-CG 3.97Å; F60-K339 HydrophobicContact CD2-CD 4.17Å; F60-K339 HydrophobicContact CD2-CG 4.08Å; F60-K339 HydrophobicContact CE1-CB 4.12Å; F60-K339 HydrophobicContact CE1-CG 4.15Å; F60-K339 HydrophobicContact CE2-CG 4.24Å; F60-K339 HydrophobicContact CG-CB 4.24Å; F60-K339 HydrophobicContact CG-CD 4.08Å; F60-K339 HydrophobicContact CG-CG 3.97Å; F60-K339 HydrophobicContact CZ-CG 4.3Å; F60-T342 HydrophobicContact CE1-CG2 4.36Å; F60-T342 HydrophobicContact CZ-CG2 4.08Å
61Q91.5Very high91.6Very high100 Ų10037.4 Ų37.447%0.46717%0.171SC..SBendtrans-74.4-24.5177.167.6-177.5-0.700113.9R58 F65R58-Q61 HydrophobicContact CB-CB 4.11Å; R58-Q61 HydrophobicContact CB-CG 4.48Å; R58-Q61 WeakPolarHBondContact O-CB 3.48Å; R58-Q61 WeakPolarHBondContact O-CG 3.31Å; R58-Q61 PolarHBondContact O-N 3.37Å; R58-Q61 VanDerWaalsContact O-N 3.08Å; Q61-F65 HydrophobicContact CG-CB 4.06Å; Q61-F65 HydrophobicContact CG-CD1 4.32Å; Q61-F65 HydrophobicContact CG-CD2 4.04Å; Q61-F65 HydrophobicContact CG-CG 3.88Å; Q61-F65 VanDerWaalsContact NE2-CD1 3.32Å; Q61-F65 VanDerWaalsContact NE2-CE2 3.28Å
62S91.5Very high91.4Very high43 Ų4337.8 Ų37.830%0.30117%0.173SC..SBendtrans-154.8163.217480.50000110.3F60 L64 F65 A66F60-S62 VanDerWaalsContact C-N 3.35Å; S62-L64 PolarHBondContact O-N 3.36Å; S62-F65 PolarHBondContact O-N 2.77Å; S62-F65 VanDerWaalsContact O-N 3.13Å; S62-F65 WeakPolarHBondContact OG-CD2 3.33Å; S62-A66 WeakPolarHBondContact O-CB 3.2Å; S62-A66 PolarHBondContact O-N 3.27Å
63K91.1Very high91.2Very high73 Ų7337.2 Ų37.232%0.31717%0.168SC..Hα-helixtrans-53.3-40.5176.8177.1172168.11750112.7A66 K67 D332 L333K63-A66 PolarHBondContact O-N 3.18Å; K63-K67 WeakPolarHBondContact O-CB 3.24Å; K63-K67 PolarHBondContact O-N 2.9Å; K63-D332 WeakPolarHBondContact CE-OD1 3.35Å; K63-D332 IonicContact NZ-OD1 2.97Å; K63-D332 PolarHBondContact NZ-OD1 2.95Å; K63-D332 IonicContact NZ-OD2 3.76Å; K63-D332 PolarHBondContact NZ-OD2 3.45Å; K63-L333 VanDerWaalsContact CD-O 3.28Å; K63-L333 WeakPolarHBondContact CD-O 3.26Å; K63-L333 WeakPolarHBondContact CE-O 3.37Å; K63-L333 WeakPolarHBondContact CG-O 3.29Å
64L87.5Confident91Very high76 Ų7640 Ų4040%0.39818%0.179SC..Hα-helixtrans-64.8-44.2178.518064.1000112.1S62 R68S62-L64 PolarHBondContact O-N 3.36Å; L64-R68 VanDerWaalsContact O-CG 3.29Å; L64-R68 WeakPolarHBondContact O-CG 3.42Å; L64-R68 PolarHBondContact O-N 2.99Å; L64-R68 VanDerWaalsContact O-N 3.09Å
65F88.1Confident90.9Very high56 Ų5638.9 Ų38.925%0.24617%0.174CC..Hα-helixtrans-68.4-40.3178.3-81.6-102.9000111.2Y36 P59 Q61 S62 K67 R68 A69Y36-F65 HydrophobicContact CD1-CE1 4.14Å; Y36-F65 HydrophobicContact CE1-CE1 4.23Å; P59-F65 CarbonylContact O-C 3.5Å; P59-F65 WeakPolarHBondContact O-CB 2.79Å; Q61-F65 HydrophobicContact CG-CB 4.06Å; Q61-F65 HydrophobicContact CG-CD1 4.32Å; Q61-F65 HydrophobicContact CG-CD2 4.04Å; Q61-F65 HydrophobicContact CG-CG 3.88Å; Q61-F65 VanDerWaalsContact NE2-CD1 3.32Å; Q61-F65 VanDerWaalsContact NE2-CE2 3.28Å; S62-F65 PolarHBondContact O-N 2.77Å; S62-F65 VanDerWaalsContact O-N 3.13Å; S62-F65 WeakPolarHBondContact OG-CD2 3.33Å; F65-K67 PolarHBondContact O-N 3.43Å; F65-R68 PolarHBondContact O-N 2.89Å; F65-A69 WeakPolarHBondContact O-CB 3.24Å; F65-A69 PolarHBondContact O-N 3.37Å
66A92.5Very high90.8Very high0 Ų038.1 Ų38.10%017%0.171CC..Hα-helixtrans-63.7-44.918000000111.3P59 F60 S62 K63 R68 A69 Y70 L335 W338P59-A66 WeakPolarHBondContact O-CA 3.35Å; P59-A66 PolarHBondContact O-N 3.13Å; F60-A66 HydrophobicContact CD1-CB 3.91Å; S62-A66 WeakPolarHBondContact O-CB 3.2Å; S62-A66 PolarHBondContact O-N 3.27Å; K63-A66 PolarHBondContact O-N 3.18Å; A66-R68 PolarHBondContact O-N 2.89Å; A66-A69 PolarHBondContact O-N 3.15Å; A66-Y70 WeakPolarHBondContact O-CB 3.48Å; A66-Y70 PolarHBondContact O-N 3.37Å; A66-L335 HydrophobicContact CB-CG 4.38Å; A66-W338 HydrophobicContact CB-CB 3.65Å; A66-W338 HydrophobicContact CB-CG 4.28Å
67K90.8Very high90.9Very high45 Ų4540.6 Ų40.620%0.19618%0.181CC..Hα-helixtrans-61.2-42.8174.5-176.5169.5-179.2164.60112.2K63 F65 R71 D329 T331 W338K63-K67 WeakPolarHBondContact O-CB 3.24Å; K63-K67 PolarHBondContact O-N 2.9Å; F65-K67 PolarHBondContact O-N 3.43Å; K67-R71 WeakPolarHBondContact O-CB 3.36Å; K67-R71 PolarHBondContact O-N 3.19Å; K67-D329 WeakPolarHBondContact CE-O 3.4Å; K67-D329 PolarHBondContact NZ-O 2.77Å; K67-T331 PolarHBondContact NZ-O 2.8Å; K67-W338 HydrophobicContact CB-CD2 4.17Å; K67-W338 HydrophobicContact CB-CG 4.45Å; K67-W338 HydrophobicContact CB-CZ2 4.27Å; K67-W338 HydrophobicContact CD-CH2 4.44Å; K67-W338 HydrophobicContact CD-CZ2 3.77Å; K67-W338 HydrophobicContact CG-CD2 4.48Å; K67-W338 HydrophobicContact CG-CH2 4.2Å; K67-W338 HydrophobicContact CG-CZ2 3.82Å
68R88.3Confident91.3Very high24 Ų2439.7 Ų39.79%0.09118%0.177CC..Hα-helixtrans-63-44.8176.3-75.4177-174.2-1690.9112.1Y36 L64 F65 A66 R71 E72Y36-R68 PolarHBondContact OH-NH1 3.35Å; Y36-R68 VanDerWaalsContact OH-NH1 3.09Å; L64-R68 VanDerWaalsContact O-CG 3.29Å; L64-R68 WeakPolarHBondContact O-CG 3.42Å; L64-R68 PolarHBondContact O-N 2.99Å; L64-R68 VanDerWaalsContact O-N 3.09Å; F65-R68 PolarHBondContact O-N 2.89Å; A66-R68 PolarHBondContact O-N 2.89Å; R68-R71 PolarHBondContact O-N 3.46Å; R68-E72 WeakPolarHBondContact O-CB 3.35Å; R68-E72 PolarHBondContact O-N 3.39Å
69A91Very high91.7Very high4 Ų430.9 Ų30.93%0.03314%0.144CC..Hα-helixtrans-63.9-43.7179.500000112.1L56 P59 F65 A66 E72 L73 F103L56-A69 HydrophobicContact CD2-CB 3.79Å; P59-A69 HydrophobicContact CB-CB 3.61Å; F65-A69 WeakPolarHBondContact O-CB 3.24Å; F65-A69 PolarHBondContact O-N 3.37Å; A66-A69 PolarHBondContact O-N 3.15Å; A69-E72 PolarHBondContact O-N 2.84Å; A69-L73 PolarHBondContact O-N 3.48Å; A69-L73 VanDerWaalsContact O-N 3.13Å; A69-F103 HydrophobicContact CB-CE1 4.02Å; A69-F103 HydrophobicContact CB-CZ 3.98Å
70Y93.3Very high91.9Very high4 Ų438.4 Ų38.42%0.01618%0.177CC..Hα-helixtrans-58.7-49.5173.7175.1-101.1000111.7A66 L73 R74 M328 W338 H341 T342 E345A66-Y70 WeakPolarHBondContact O-CB 3.48Å; A66-Y70 PolarHBondContact O-N 3.37Å; Y70-L73 WeakPolarHBondContact O-CB 3.38Å; Y70-L73 PolarHBondContact O-N 3.38Å; Y70-R74 HydrophobicContact CD1-CG 4.17Å; Y70-R74 HydrophobicContact CD2-CG 4.45Å; Y70-R74 HydrophobicContact CE1-CG 3.69Å; Y70-R74 HydrophobicContact CE2-CG 4Å; Y70-R74 WeakPolarHBondContact O-CG 3.29Å; Y70-R74 PolarHBondContact O-N 2.63Å; Y70-M328 HydrophobicContact CE1-CB 4.18Å; Y70-W338 AromaticContact CD1-CE3 3.79Å; Y70-W338 HydrophobicContact CD1-CE3 3.79Å; Y70-W338 HydrophobicContact CD1-CH2 4.5Å; Y70-W338 AromaticContact CD1-CZ3 3.42Å; Y70-W338 HydrophobicContact CD1-CZ3 3.42Å; Y70-W338 VanDerWaalsContact CD1-CZ3 3.42Å; Y70-W338 HydrophobicContact CE1-CE3 4.41Å; Y70-W338 AromaticContact CE1-CZ3 3.75Å; Y70-W338 HydrophobicContact CE1-CZ3 3.75Å; Y70-W338 AromaticContact CG-CE3 3.86Å; Y70-W338 HydrophobicContact CG-CE3 3.86Å; Y70-W338 AromaticContact CG-CZ3 3.99Å; Y70-W338 HydrophobicContact CG-CZ3 3.99Å; Y70-H341 HydrophobicContact CD2-CB 3.91Å; Y70-H341 HydrophobicContact CE2-CB 3.59Å; Y70-T342 WeakPolarHBondContact CB-OG1 3.37Å; Y70-E345 HydrophobicContact CD2-CG 4.39Å; Y70-E345 HydrophobicContact CE2-CG 3.63Å
71R90.9Very high92Very high13 Ų1338.1 Ų38.15%0.04918%0.175CC..Hα-helixtrans-63.9-42.4-179.6-177.817668.4-169.415.4112.4K67 R68 L73 R74 L75 G171 A173 R174 D329K67-R71 WeakPolarHBondContact O-CB 3.36Å; K67-R71 PolarHBondContact O-N 3.19Å; R68-R71 PolarHBondContact O-N 3.46Å; R71-L73 VanDerWaalsContact C-N 3.31Å; R71-L73 PolarHBondContact O-N 3.05Å; R71-R74 PolarHBondContact O-N 3.33Å; R71-L75 HydrophobicContact CG-CD1 3.66Å; R71-L75 HydrophobicContact CG-CG 4.1Å; R71-L75 WeakPolarHBondContact O-CB 3.3Å; R71-L75 VanDerWaalsContact O-CG 3.28Å; R71-L75 WeakPolarHBondContact O-CG 3.35Å; R71-L75 PolarHBondContact O-N 2.78Å; R71-G171 PolarHBondContact NH2-O 3.36Å; R71-A173 PolarHBondContact NE-O 3.44Å; R71-A173 VanDerWaalsContact NE-O 3.08Å; R71-A173 PolarHBondContact NH1-O 3.11Å; R71-A173 PolarHBondContact NH2-O 3.03Å; R71-R174 VanDerWaalsContact NH1-CG 3.3Å; R71-D329 WeakPolarHBondContact CD-OD2 3.26Å; R71-D329 WeakPolarHBondContact CG-OD2 3.41Å
72E91.1Very high92.2Very high11 Ų1137.4 Ų37.45%0.05117%0.172CC..Hα-helixtrans-57.5-46175.8-176176.4-173.400110.8K54 R68 A69 L75 L76 L105K54-E72 IonicContact NZ-OE1 2.73Å; K54-E72 PolarHBondContact NZ-OE1 3.12Å; K54-E72 IonicContact NZ-OE2 3.56Å; R68-E72 WeakPolarHBondContact O-CB 3.35Å; R68-E72 PolarHBondContact O-N 3.39Å; A69-E72 PolarHBondContact O-N 2.84Å; E72-L75 PolarHBondContact O-N 3.46Å; E72-L76 HydrophobicContact CG-CD1 3.98Å; E72-L76 WeakPolarHBondContact O-CB 3.25Å; E72-L76 VanDerWaalsContact O-CG 3.25Å; E72-L76 WeakPolarHBondContact O-CG 3.48Å; E72-L76 PolarHBondContact O-N 3.42Å; E72-L105 HydrophobicContact CG-CD1 4.35Å
73L93.7Very high92.5Very high0 Ų035.5 Ų35.50%016%0.159CC..Hα-helixtrans-60-47.6175.3174.158.7000112.1A69 Y70 R71 L76 K77 L87 V90 F103 L105 T342 E345 I346A69-L73 PolarHBondContact O-N 3.48Å; A69-L73 VanDerWaalsContact O-N 3.13Å; Y70-L73 WeakPolarHBondContact O-CB 3.38Å; Y70-L73 PolarHBondContact O-N 3.38Å; R71-L73 VanDerWaalsContact C-N 3.31Å; R71-L73 PolarHBondContact O-N 3.05Å; L73-L76 PolarHBondContact O-N 2.8Å; L73-K77 HydrophobicContact CD1-CD 4.07Å; L73-K77 HydrophobicContact CD1-CG 4.26Å; L73-K77 HydrophobicContact CG-CD 4.27Å; L73-K77 VanDerWaalsContact O-CG 3.32Å; L73-K77 WeakPolarHBondContact O-CG 3.22Å; L73-K77 PolarHBondContact O-N 3.5Å; L73-L87 HydrophobicContact CD1-CD2 3.66Å; L73-V90 HydrophobicContact CD1-CB 4.23Å; L73-V90 HydrophobicContact CD1-CG1 4.18Å; L73-V90 HydrophobicContact CD1-CG2 3.91Å; L73-F103 HydrophobicContact CB-CE2 4.49Å; L73-L105 HydrophobicContact CD1-CD2 3.84Å; L73-T342 HydrophobicContact CD2-CG2 4.16Å; L73-E345 HydrophobicContact CD2-CB 3.69Å; L73-E345 HydrophobicContact CG-CB 4.45Å; L73-I346 HydrophobicContact CD2-CG1 3.78Å
74R93.3Very high92.8Very high57 Ų5732.1 Ų32.122%0.21514%0.144CC..Hα-helixtrans-61.2-44.4179.4-76-73.3-57.7-145.2-4.2112.5Y70 R71 K77 H78 Y324 E345Y70-R74 HydrophobicContact CD1-CG 4.17Å; Y70-R74 HydrophobicContact CD2-CG 4.45Å; Y70-R74 HydrophobicContact CE1-CG 3.69Å; Y70-R74 HydrophobicContact CE2-CG 4Å; Y70-R74 WeakPolarHBondContact O-CG 3.29Å; Y70-R74 PolarHBondContact O-N 2.63Å; R71-R74 PolarHBondContact O-N 3.33Å; R74-K77 PolarHBondContact O-N 3.22Å; R74-H78 PolarHBondContact O-N 2.81Å; R74-H78 VanDerWaalsContact O-N 3.09Å; R74-Y324 HydrophobicContact CB-CE2 4.21Å; R74-Y324 VanDerWaalsContact CB-OH 3.31Å; R74-Y324 WeakPolarHBondContact CB-OH 3.46Å; R74-E345 VanDerWaalsContact CD-OE1 3.26Å; R74-E345 WeakPolarHBondContact CD-OE1 3.11Å; R74-E345 IonicContact CZ-OE1 3.66Å; R74-E345 IonicContact NE-OE1 3.27Å; R74-E345 IonicContact NH1-OE1 2.97Å; R74-E345 PolarHBondContact NH1-OE1 3.23Å
75L92.6Very high93.2Very high2 Ų228.7 Ų28.71%0.0113%0.126CC..Hα-helixtrans-65.5-45.9178.7-70.8173000111.1R71 E72 K77 H78 M79 I147 F170 A173 Y324R71-L75 HydrophobicContact CG-CD1 3.66Å; R71-L75 HydrophobicContact CG-CG 4.1Å; R71-L75 WeakPolarHBondContact O-CB 3.3Å; R71-L75 VanDerWaalsContact O-CG 3.28Å; R71-L75 WeakPolarHBondContact O-CG 3.35Å; R71-L75 PolarHBondContact O-N 2.78Å; E72-L75 PolarHBondContact O-N 3.46Å; L75-K77 PolarHBondContact O-N 3.41Å; L75-H78 PolarHBondContact O-N 2.75Å; L75-M79 HydrophobicContact CD2-CE 4.48Å; L75-M79 VanDerWaalsContact O-CG 3.3Å; L75-M79 WeakPolarHBondContact O-CG 3.38Å; L75-M79 PolarHBondContact O-N 2.96Å; L75-I147 HydrophobicContact CD2-CD1 3.34Å; L75-I147 HydrophobicContact CD2-CG1 4.11Å; L75-F170 HydrophobicContact CB-CB 4.06Å; L75-F170 HydrophobicContact CB-CG 4.32Å; L75-F170 HydrophobicContact CD1-CB 3.71Å; L75-F170 HydrophobicContact CD1-CG 4.44Å; L75-A173 HydrophobicContact CD1-CB 3.92Å; L75-Y324 HydrophobicContact CD2-CD1 4.31Å; L75-Y324 HydrophobicContact CD2-CD2 3.95Å; L75-Y324 HydrophobicContact CD2-CE1 4.08Å; L75-Y324 HydrophobicContact CD2-CE2 3.71Å; L75-Y324 HydrophobicContact CD2-CG 4.23Å; L75-Y324 HydrophobicContact CG-CE2 4.32Å
76L93.6Very high93.4Very high4 Ų426.8 Ų26.82%0.02112%0.122CC..Hα-helixtrans-62.1-30.7176.8-71.6171.1000113.2E72 L73 I85 L87 L105 M107 F170E72-L76 HydrophobicContact CG-CD1 3.98Å; E72-L76 WeakPolarHBondContact O-CB 3.25Å; E72-L76 VanDerWaalsContact O-CG 3.25Å; E72-L76 WeakPolarHBondContact O-CG 3.48Å; E72-L76 PolarHBondContact O-N 3.42Å; L73-L76 PolarHBondContact O-N 2.8Å; L76-I85 HydrophobicContact CD2-CG2 3.66Å; L76-L87 HydrophobicContact CB-CB 4.09Å; L76-L87 HydrophobicContact CB-CD1 4.48Å; L76-L87 HydrophobicContact CD1-CD1 4.49Å; L76-L87 PolarHBondContact O-N 2.75Å; L76-L105 HydrophobicContact CD1-CD1 3.67Å; L76-L105 HydrophobicContact CD1-CD2 4.21Å; L76-L105 HydrophobicContact CD1-CG 4.41Å; L76-M107 HydrophobicContact CD1-SD 4.45Å; L76-M107 HydrophobicContact CD2-SD 4.48Å; L76-F170 HydrophobicContact CD2-CD2 4.3Å
77K92.8Very high93.5Very high57 Ų5727.8 Ų27.825%0.24813%0.127CC..Hα-helixtrans-71.9-33.6172.9-74.4177.365.4169.30112.8L73 R74 L75 L87 E345 F349L73-K77 HydrophobicContact CD1-CD 4.07Å; L73-K77 HydrophobicContact CD1-CG 4.26Å; L73-K77 HydrophobicContact CG-CD 4.27Å; L73-K77 VanDerWaalsContact O-CG 3.32Å; L73-K77 WeakPolarHBondContact O-CG 3.22Å; L73-K77 PolarHBondContact O-N 3.5Å; R74-K77 PolarHBondContact O-N 3.22Å; L75-K77 PolarHBondContact O-N 3.41Å; K77-L87 HydrophobicContact CD-CD2 4.49Å; K77-L87 HydrophobicContact CG-CD2 3.64Å; K77-E345 PolarHBondContact NZ-O 3.48Å; K77-E345 IonicContact NZ-OE2 3.8Å; K77-E345 PolarHBondContact NZ-OE2 3.16Å; K77-F349 HydrophobicContact CD-CD2 3.99Å; K77-F349 HydrophobicContact CG-CD2 3.94Å; K77-F349 HydrophobicContact CG-CE2 4.06Å
78H92.9Very high93.7Very high46 Ų4629.4 Ų29.421%0.21314%0.138CC..Hα-helixtrans-77.5-37.7-178.3-170.583.7000112.5R74 L75 K80 Q322 Y324R74-H78 PolarHBondContact O-N 2.81Å; R74-H78 VanDerWaalsContact O-N 3.09Å; L75-H78 PolarHBondContact O-N 2.75Å; H78-K80 PolarHBondContact O-N 2.91Å; H78-Q322 PolarHBondContact CE1-O 3.47Å; H78-Q322 VanDerWaalsContact CE1-O 3.31Å; H78-Q322 PolarHBondContact NE2-O 3.37Å; H78-Y324 HydrophobicContact CB-CD2 3.9Å; H78-Y324 HydrophobicContact CB-CE2 4.33Å; H78-Y324 AromaticContact CG-CD2 3.71Å; H78-Y324 AromaticContact ND1-CD2 3.89Å
79M93.9Very high94.1Very high4 Ų429.4 Ų29.42%0.0214%0.14CC..  trans-73122.4-174.8-65-59.8158.300112.1L75 V84 Y141 I142 A145 I147 F170L75-M79 HydrophobicContact CD2-CE 4.48Å; L75-M79 VanDerWaalsContact O-CG 3.3Å; L75-M79 WeakPolarHBondContact O-CG 3.38Å; L75-M79 PolarHBondContact O-N 2.96Å; M79-V84 HydrophobicContact CB-CG1 3.73Å; M79-V84 HydrophobicContact CG-CG1 3.81Å; M79-V84 HydrophobicContact SD-CG1 4.19Å; M79-Y141 HydrophobicContact SD-CD1 3.97Å; M79-Y141 HydrophobicContact SD-CE1 3.68Å; M79-I142 HydrophobicContact SD-CG1 4.26Å; M79-A145 HydrophobicContact CE-CB 4.43Å; M79-I147 HydrophobicContact CE-CD1 3.2Å; M79-I147 HydrophobicContact CE-CG1 4.45Å; M79-F170 HydrophobicContact CE-CE1 4.49Å; M79-F170 HydrophobicContact CG-CE2 4.15Å; M79-F170 HydrophobicContact CG-CZ 4.07Å
80K94.7Very high94.4Very high163 Ų16329.6 Ų29.671%0.70914%0.14SC*.  trans-139.176.7178.7-64.7-177.9-176.5177.80109.3H78 Y141H78-K80 PolarHBondContact O-N 2.91Å; K80-Y141 PolarHBondContact N-OH 2.82Å; K80-Y141 PolarHBondContact O-OH 2.84Å
81H96.5Very high94.5Very high18 Ų1830 Ų308%0.08314%0.142CC..  trans-147.4145.9-177.7-175.5-87.1000109.7N83 V84 Y141 T319H81-N83 VanDerWaalsContact C-N 3.32Å; H81-N83 PolarHBondContact ND1-N 2.95Å; H81-N83 PolarHBondContact O-N 2.99Å; H81-V84 HydrophobicContact CB-CB 4.04Å; H81-V84 HydrophobicContact CB-CG2 3.97Å; H81-V84 PolarHBondContact O-N 3.29Å; H81-Y141 HydrophobicContact CB-CD1 3.7Å; H81-Y141 HydrophobicContact CB-CD2 3.9Å; H81-Y141 HydrophobicContact CB-CE1 3.95Å; H81-Y141 HydrophobicContact CB-CE2 4.12Å; H81-Y141 HydrophobicContact CB-CG 3.68Å; H81-Y141 AromaticContact CD2-CD2 3.49Å; H81-Y141 VanDerWaalsContact CD2-CD2 3.49Å; H81-Y141 WeakPolarHBondContact CD2-CD2 3.35Å; H81-Y141 AromaticContact CD2-CG 3.62Å; H81-Y141 AromaticContact CG-CD2 3.98Å; H81-Y141 AromaticContact CG-CG 3.76Å; H81-T319 PolarHBondContact CD2-OG1 3.48Å; H81-T319 VanDerWaalsContact CD2-OG1 3.27Å
82E96.4Very high94.7Very high85 Ų8529.4 Ų29.440%0.39714%0.14SC..THydrogen-bonded Turntrans-61.6-37.1-177.263.4-179.9118.500112.9K137 K166E82-K137 VanDerWaalsContact OE1-CE 3.31Å; E82-K137 WeakPolarHBondContact OE1-CE 3.27Å; E82-K137 IonicContact OE1-NZ 3.12Å; E82-K137 PolarHBondContact OE1-NZ 2.9Å; E82-K137 IonicContact OE2-NZ 3.46Å; E82-K137 PolarHBondContact OE2-NZ 3.09Å; E82-K166 WeakPolarHBondContact O-CG 3.46Å; E82-K166 PolarHBondContact O-NZ 3.25Å
83N98Very high94.7Very high3 Ų328.9 Ų28.92%0.01614%0.138CC..THydrogen-bonded Turntrans-95.615179-51.6119.7000114.6H81 Q134 K137 L165 I167H81-N83 VanDerWaalsContact C-N 3.32Å; H81-N83 PolarHBondContact ND1-N 2.95Å; H81-N83 PolarHBondContact O-N 2.99Å; N83-Q134 VanDerWaalsContact CB-O 3.24Å; N83-Q134 WeakPolarHBondContact CB-O 3.47Å; N83-Q134 WeakPolarHBondContact ND2-CB 3.38Å; N83-Q134 PolarHBondContact ND2-OE1 3.23Å; N83-Q134 PolarHBondContact OD1-O 2.84Å; N83-K137 WeakPolarHBondContact OD1-CE 3.3Å; N83-L165 VanDerWaalsContact CA-O 3.24Å; N83-L165 WeakPolarHBondContact CA-O 3.36Å; N83-L165 PolarHBondContact ND2-O 3.23Å; N83-I167 WeakPolarHBondContact O-CG1 3.31Å; N83-I167 PolarHBondContact O-N 2.71Å
84V97.4Very high94.6Very high2 Ų230.6 Ų30.61%0.01215%0.146CC..BIsolated β-bridgetrans-125.8134.4176-1780000109.2M79 H81 G86 Y141 I142 F170M79-V84 HydrophobicContact CB-CG1 3.73Å; M79-V84 HydrophobicContact CG-CG1 3.81Å; M79-V84 HydrophobicContact SD-CG1 4.19Å; H81-V84 HydrophobicContact CB-CB 4.04Å; H81-V84 HydrophobicContact CB-CG2 3.97Å; H81-V84 PolarHBondContact O-N 3.29Å; V84-G86 PolarHBondContact O-N 3.1Å; V84-Y141 HydrophobicContact CG2-CD1 4.46Å; V84-I142 HydrophobicContact CG1-CD1 4.33Å; V84-I142 HydrophobicContact CG1-CG1 4.39Å; V84-I142 HydrophobicContact CG2-CD1 3.84Å; V84-I142 HydrophobicContact CG2-CG1 3.88Å; V84-F170 HydrophobicContact CG1-CE2 3.66Å; V84-F170 HydrophobicContact CG1-CZ 3.37Å
85I95.1Very high94.3Very high4 Ų432.6 Ų32.62%0.02116%0.16CC..  trans-65.8126.5177.6-159.469.8000110.5L76 M107 P108 K166 I167 L168 F170L76-I85 HydrophobicContact CD2-CG2 3.66Å; I85-M107 HydrophobicContact CD1-CB 4.09Å; I85-M107 HydrophobicContact CG1-CB 4Å; I85-M107 HydrophobicContact CG1-CG 4.12Å; I85-M107 HydrophobicContact CG1-SD 3.94Å; I85-P108 HydrophobicContact CD1-CB 4.33Å; I85-P108 HydrophobicContact CD1-CG 4.26Å; I85-K166 HydrophobicContact CD1-CB 4.39Å; I85-K166 HydrophobicContact CD1-CD 3.85Å; I85-I167 WeakPolarHBondContact CB-O 3.26Å; I85-I167 VanDerWaalsContact CG2-O 3.28Å; I85-I167 WeakPolarHBondContact CG2-O 3.5Å; I85-I167 PolarHBondContact N-O 3.34Å; I85-L168 HydrophobicContact CB-CD2 3.72Å; I85-L168 HydrophobicContact CD1-CD2 3.97Å; I85-L168 HydrophobicContact CG1-CD2 3.87Å; I85-L168 HydrophobicContact CG2-CD2 4.06Å; I85-F170 HydrophobicContact CG2-CE2 4.13Å
86G93.1Very high94.1Very high16 Ų1634.4 Ų34.417%0.16517%0.173CC..  trans-111.4169.6175.400000112V84 P108V84-G86 PolarHBondContact O-N 3.1Å; G86-P108 WeakPolarHBondContact O-CD 3.42Å
87L94.9Very high94Very high21 Ų2135.9 Ų35.911%0.1118%0.18CC..  trans-92.3122.1177.9-162.563000111.5L73 L76 K77 D89 V90 L105 F349L73-L87 HydrophobicContact CD1-CD2 3.66Å; L76-L87 HydrophobicContact CB-CB 4.09Å; L76-L87 HydrophobicContact CB-CD1 4.48Å; L76-L87 HydrophobicContact CD1-CD1 4.49Å; L76-L87 PolarHBondContact O-N 2.75Å; K77-L87 HydrophobicContact CD-CD2 4.49Å; K77-L87 HydrophobicContact CG-CD2 3.64Å; L87-D89 VanDerWaalsContact CD1-O 3.26Å; L87-D89 WeakPolarHBondContact CD1-O 3.15Å; L87-V90 HydrophobicContact CD1-CB 4.49Å; L87-V90 HydrophobicContact CD2-CB 4.03Å; L87-V90 HydrophobicContact CD2-CG1 4.04Å; L87-L105 HydrophobicContact CD1-CB 4.03Å; L87-L105 HydrophobicContact CD1-CD2 3.67Å; L87-L105 HydrophobicContact CD1-CG 4.47Å; L87-F349 HydrophobicContact CB-CE2 4.33Å; L87-F349 HydrophobicContact CB-CZ 4.45Å; L87-F349 HydrophobicContact CD2-CD2 3.97Å; L87-F349 HydrophobicContact CD2-CE2 3.62Å; L87-F349 HydrophobicContact CD2-CZ 4.11Å; L87-F349 HydrophobicContact CG-CE2 4.08Å; L87-F349 HydrophobicContact CG-CZ 4.11Å
88L95.4Very high93.9Very high79 Ų7939.6 Ų39.641%0.41420%0.203SC..SBendtrans-85.8-41.2171.3-61.1179.2000111.5V51 V106 P108V51-L88 HydrophobicContact CG1-CD1 3.87Å; L88-V106 HydrophobicContact CB-CG1 4.29Å; L88-V106 PolarHBondContact N-O 2.98Å; L88-P108 HydrophobicContact CD1-CG 4.23Å; L88-P108 HydrophobicContact CD2-CG 4.3Å; L88-P108 HydrophobicContact CG-CG 4.25Å
89D96.1Very high93.7Very high25 Ų2542.4 Ų42.413%0.13421%0.212CC..EExtended strand (participates in β ladder)trans-156.6158.3-178.3-164.514.8000110.6R24 Y25 L87 V106R24-D89 IonicContact NH1-OD2 3.78Å; Y25-D89 VanDerWaalsContact OH-CB 3.25Å; Y25-D89 WeakPolarHBondContact OH-CB 3.48Å; Y25-D89 PolarHBondContact OH-OD2 3.17Å; L87-D89 VanDerWaalsContact CD1-O 3.26Å; L87-D89 WeakPolarHBondContact CD1-O 3.15Å; D89-V106 HydrophobicContact CB-CB 3.75Å; D89-V106 HydrophobicContact CB-CG1 4.42Å; D89-V106 HydrophobicContact CB-CG2 3.81Å; D89-V106 PolarHBondContact N-O 3.05Å; D89-V106 WeakPolarHBondContact O-CB 3.31Å; D89-V106 PolarHBondContact O-N 3.45Å
90V97Very high93.6Very high7 Ų742.2 Ų42.24%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-145.7135.7172.658.20000109.5L73 L87 F103 Y104 L105 I346 F349L73-V90 HydrophobicContact CD1-CB 4.23Å; L73-V90 HydrophobicContact CD1-CG1 4.18Å; L73-V90 HydrophobicContact CD1-CG2 3.91Å; L87-V90 HydrophobicContact CD1-CB 4.49Å; L87-V90 HydrophobicContact CD2-CB 4.03Å; L87-V90 HydrophobicContact CD2-CG1 4.04Å; V90-F103 HydrophobicContact CG2-CD2 4.07Å; V90-Y104 WeakPolarHBondContact CA-O 3.39Å; V90-Y104 WeakPolarHBondContact CG2-O 3.48Å; V90-L105 HydrophobicContact CB-CD2 4.42Å; V90-L105 HydrophobicContact CG2-CD2 3.95Å; V90-I346 HydrophobicContact CG1-CG2 4.49Å; V90-I346 HydrophobicContact CG2-CB 4.47Å; V90-I346 HydrophobicContact CG2-CD1 4.41Å; V90-I346 HydrophobicContact CG2-CG1 3.77Å; V90-I346 HydrophobicContact CG2-CG2 4.25Å; V90-F349 HydrophobicContact CG1-CB 3.5Å; V90-F349 VanDerWaalsContact CG1-CB 3.5Å; V90-F349 HydrophobicContact CG1-CD1 3.77Å; V90-F349 HydrophobicContact CG1-CD2 3.99Å; V90-F349 HydrophobicContact CG1-CG 3.46Å; V90-F349 VanDerWaalsContact CG1-CG 3.46Å
91F95.8Very high93.4Very high12 Ų1240.2 Ų40.25%0.05320%0.204CC..EExtended strand (participates in β ladder)trans-149.8162.8-177.361.8-99.6000113.1F9 V21 P22 Y25 I53 F103 Y104 V106F9-F91 AromaticContact CE1-CD2 3.7Å; F9-F91 HydrophobicContact CE1-CD2 3.7Å; F9-F91 HydrophobicContact CE1-CE2 4.21Å; F9-F91 HydrophobicContact CE1-CG 4.44Å; F9-F91 HydrophobicContact CZ-CB 4.39Å; F9-F91 HydrophobicContact CZ-CD2 4.24Å; V21-F91 HydrophobicContact CB-CE2 4.14Å; V21-F91 HydrophobicContact CB-CZ 4Å; V21-F91 HydrophobicContact CG1-CE2 4Å; V21-F91 HydrophobicContact CG1-CZ 3.86Å; P22-F91 HydrophobicContact CG-CD1 3.95Å; P22-F91 HydrophobicContact CG-CD2 4.08Å; P22-F91 HydrophobicContact CG-CE1 4.12Å; P22-F91 HydrophobicContact CG-CE2 4.25Å; P22-F91 HydrophobicContact CG-CG 3.93Å; P22-F91 HydrophobicContact CG-CZ 4.27Å; Y25-F91 AromaticContact CD2-CE1 3.91Å; Y25-F91 HydrophobicContact CD2-CE1 3.91Å; Y25-F91 HydrophobicContact CD2-CZ 4.4Å; Y25-F91 HydrophobicContact CE2-CD1 4.13Å; Y25-F91 AromaticContact CE2-CE1 3.69Å; Y25-F91 HydrophobicContact CE2-CE1 3.69Å; I53-F91 HydrophobicContact CG2-CE1 4.37Å; I53-F91 HydrophobicContact CG2-CZ 4.04Å; F91-F103 WeakPolarHBondContact O-CA 3.47Å; F91-F103 WeakPolarHBondContact O-CB 3.45Å; F91-Y104 AromaticContact CD2-CD2 3.63Å; F91-Y104 HydrophobicContact CD2-CD2 3.63Å; F91-Y104 AromaticContact CD2-CG 3.96Å; F91-Y104 HydrophobicContact CD2-CG 3.96Å; F91-Y104 HydrophobicContact CE2-CD1 4.04Å; F91-Y104 AromaticContact CE2-CD2 3.3Å; F91-Y104 HydrophobicContact CE2-CD2 3.3Å; F91-Y104 HydrophobicContact CE2-CE2 4.1Å; F91-Y104 AromaticContact CE2-CG 3.29Å; F91-Y104 HydrophobicContact CE2-CG 3.29Å; F91-Y104 HydrophobicContact CZ-CD1 4.26Å; F91-Y104 HydrophobicContact CZ-CD2 4.21Å; F91-Y104 AromaticContact CZ-CG 3.72Å; F91-Y104 HydrophobicContact CZ-CG 3.72Å; F91-Y104 PolarHBondContact N-O 2.93Å; F91-Y104 VanDerWaalsContact N-O 3.08Å; F91-Y104 PolarHBondContact O-N 3.28Å; F91-V106 HydrophobicContact CD1-CG2 4.02Å; F91-V106 HydrophobicContact CE1-CG2 3.53Å
92T94.9Very high93.1Very high1 Ų140.9 Ų40.91%0.00621%0.208CC..  trans-137.3147.2164.1-178.80000107.8F9 E94 F100 D102 F343 I346F9-T92 WeakPolarHBondContact CZ-O 3.36Å; T92-E94 PolarHBondContact O-N 3.38Å; T92-E94 PolarHBondContact OG1-N 3.22Å; T92-F100 HydrophobicContact CG2-CD2 4.09Å; T92-F100 HydrophobicContact CG2-CE2 4.05Å; T92-D102 WeakPolarHBondContact CB-O 3.49Å; T92-D102 PolarHBondContact OG1-O 3.47Å; T92-F343 HydrophobicContact CG2-CD2 4.35Å; T92-F343 HydrophobicContact CG2-CE2 3.95Å; T92-I346 HydrophobicContact CG2-CG2 4.43Å
93S91.9Very high93.1Very high1 Ų136.8 Ų36.81%0.00719%0.189CC..SBendtrans-74.2-11.9174.755.50000112.3R6 E20R6-S93 WeakPolarHBondContact CB-O 3.37Å; R6-S93 PolarHBondContact N-O 2.99Å; E20-S93 WeakPolarHBondContact OE2-CB 3.34Å; E20-S93 PolarHBondContact OE2-OG 3.05Å
94E90.8Very high93Very high35 Ų3536.7 Ų36.716%0.16419%0.188CC..  trans-84140-174.5-66.5-6817500113.1T92 R99T92-E94 PolarHBondContact O-N 3.38Å; T92-E94 PolarHBondContact OG1-N 3.22Å; E94-R99 VanDerWaalsContact CD-CB 3.47Å; E94-R99 HydrophobicContact CG-CB 4.26Å; E94-R99 VanDerWaalsContact CG-O 3.26Å; E94-R99 WeakPolarHBondContact CG-O 3.25Å; E94-R99 WeakPolarHBondContact OE2-CB 3.07Å; E94-R99 IonicContact OE2-CZ 2.65Å; E94-R99 IonicContact OE2-NE 2.74Å; E94-R99 PolarHBondContact OE2-NE 2.92Å; E94-R99 IonicContact OE2-NH2 3.25Å
95I85.7Confident93Very high99 Ų9936.6 Ų36.651%0.50819%0.188SC..SBendtrans-95.4-29.2-176.2-54.7171.3000111R6R6-I95 HydrophobicContact CB-CD1 4.41Å; R6-I95 HydrophobicContact CB-CG1 4.03Å; R6-I95 HydrophobicContact CG-CG1 4.44Å
96S89.7Confident93.1Very high41 Ų4136.4 Ų36.429%0.28719%0.187SC..SBendtrans-120.9152.1-177.866.60000111.9D98 R99 F100S96-D98 VanDerWaalsContact C-N 3.27Å; S96-D98 PolarHBondContact O-N 2.85Å; S96-R99 PolarHBondContact O-N 3.47Å; S96-F100 PolarHBondContact O-N 3.41Å
97L91.3Very high93.2Very high35 Ų3536.6 Ų36.618%0.18318%0.183CC..THydrogen-bonded Turntrans-59.9-36.7178.6-177.963.4000112.3R99 F100 K339 R340 F343L97-R99 VanDerWaalsContact C-N 3.27Å; L97-R99 PolarHBondContact O-N 3.05Å; L97-F100 HydrophobicContact CD1-CD1 4.22Å; L97-F100 VanDerWaalsContact O-CB 3.26Å; L97-F100 WeakPolarHBondContact O-CB 3.44Å; L97-F100 PolarHBondContact O-N 3.11Å; L97-F100 VanDerWaalsContact O-N 3.09Å; L97-K339 HydrophobicContact CD1-CG 4Å; L97-K339 WeakPolarHBondContact O-CE 3.32Å; L97-K339 PolarHBondContact O-NZ 3.35Å; L97-K339 VanDerWaalsContact O-NZ 3.08Å; L97-R340 HydrophobicContact CD1-CB 4.43Å; L97-R340 HydrophobicContact CD2-CB 3.94Å; L97-R340 HydrophobicContact CD2-CG 4.03Å; L97-F343 HydrophobicContact CB-CD1 4.4Å; L97-F343 HydrophobicContact CD1-CB 3.73Å; L97-F343 HydrophobicContact CD1-CD1 4.19Å; L97-F343 HydrophobicContact CD1-CG 3.97Å
98D90Very high93.2Very high135 Ų13537.2 Ų37.272%0.72219%0.189SC*.THydrogen-bonded Turntrans-61.3-38.6-176.7-58.6-37.1000111.9S96 K339S96-D98 VanDerWaalsContact C-N 3.27Å; S96-D98 PolarHBondContact O-N 2.85Å; D98-K339 PolarHBondContact O-NZ 3.26Å
99R88.8Confident93.2Very high104 Ų10436.3 Ų36.339%0.39218%0.182SC..THydrogen-bonded Turntrans-88.4-4179-57.8-162.8-56.4-132.83.8113.9R4 E94 S96 L97 H101R4-R99 PolarHBondContact O-NH2 2.9Å; E94-R99 VanDerWaalsContact CD-CB 3.47Å; E94-R99 HydrophobicContact CG-CB 4.26Å; E94-R99 VanDerWaalsContact CG-O 3.26Å; E94-R99 WeakPolarHBondContact CG-O 3.25Å; E94-R99 WeakPolarHBondContact OE2-CB 3.07Å; E94-R99 IonicContact OE2-CZ 2.65Å; E94-R99 IonicContact OE2-NE 2.74Å; E94-R99 PolarHBondContact OE2-NE 2.92Å; E94-R99 IonicContact OE2-NH2 3.25Å; S96-R99 PolarHBondContact O-N 3.47Å; L97-R99 VanDerWaalsContact C-N 3.27Å; L97-R99 PolarHBondContact O-N 3.05Å; R99-H101 PolarHBondContact O-CD2 3.36Å; R99-H101 PolarHBondContact O-N 2.77Å
100F92.6Very high93.1Very high0 Ų035.6 Ų35.60%018%0.178CC..  trans-66.5102.2-178.8178.8-135000111.3F60 T92 S96 L97 D102 F103 K339 T342 F343 I346F60-F100 HydrophobicContact CD2-CD1 4.46Å; F60-F100 HydrophobicContact CD2-CE1 4.46Å; F60-F100 HydrophobicContact CE1-CE1 4.12Å; F60-F100 AromaticContact CE2-CD1 3.62Å; F60-F100 HydrophobicContact CE2-CD1 3.62Å; F60-F100 HydrophobicContact CE2-CD2 4.32Å; F60-F100 AromaticContact CE2-CE1 3.31Å; F60-F100 HydrophobicContact CE2-CE1 3.31Å; F60-F100 HydrophobicContact CE2-CE2 4.04Å; F60-F100 HydrophobicContact CE2-CG 4.11Å; F60-F100 AromaticContact CE2-CZ 3.53Å; F60-F100 HydrophobicContact CE2-CZ 3.53Å; F60-F100 AromaticContact CZ-CD1 3.84Å; F60-F100 HydrophobicContact CZ-CD1 3.84Å; F60-F100 AromaticContact CZ-CE1 3.1Å; F60-F100 HydrophobicContact CZ-CE1 3.1Å; F60-F100 HydrophobicContact CZ-CE2 4.34Å; F60-F100 AromaticContact CZ-CZ 3.4Å; F60-F100 HydrophobicContact CZ-CZ 3.4Å; T92-F100 HydrophobicContact CG2-CD2 4.09Å; T92-F100 HydrophobicContact CG2-CE2 4.05Å; S96-F100 PolarHBondContact O-N 3.41Å; L97-F100 HydrophobicContact CD1-CD1 4.22Å; L97-F100 VanDerWaalsContact O-CB 3.26Å; L97-F100 WeakPolarHBondContact O-CB 3.44Å; L97-F100 PolarHBondContact O-N 3.11Å; L97-F100 VanDerWaalsContact O-N 3.09Å; F100-D102 VanDerWaalsContact CE2-O 3.26Å; F100-D102 WeakPolarHBondContact CE2-O 3.45Å; F100-F103 HydrophobicContact CE2-CB 3.94Å; F100-F103 HydrophobicContact CE2-CD1 4.23Å; F100-F103 HydrophobicContact CE2-CG 4.5Å; F100-F103 HydrophobicContact CZ-CB 4.24Å; F100-F103 AromaticContact CZ-CD1 3.86Å; F100-F103 HydrophobicContact CZ-CD1 3.86Å; F100-F103 HydrophobicContact CZ-CG 4.35Å; F100-K339 HydrophobicContact CD1-CD 4.49Å; F100-K339 HydrophobicContact CD1-CG 3.68Å; F100-K339 HydrophobicContact CE1-CG 4.24Å; F100-K339 WeakPolarHBondContact O-CE 3.39Å; F100-K339 PolarHBondContact O-NZ 2.84Å; F100-T342 HydrophobicContact CE1-CG2 4.19Å; F100-T342 HydrophobicContact CZ-CG2 4.08Å; F100-F343 HydrophobicContact CB-CD2 3.97Å; F100-F343 HydrophobicContact CB-CE2 4.21Å; F100-F343 HydrophobicContact CD1-CB 3.8Å; F100-F343 AromaticContact CD1-CD2 3.68Å; F100-F343 HydrophobicContact CD1-CD2 3.68Å; F100-F343 HydrophobicContact CD1-CG 4.12Å; F100-F343 AromaticContact CD2-CD2 3.84Å; F100-F343 HydrophobicContact CD2-CD2 3.84Å; F100-F343 HydrophobicContact CD2-CE2 4.28Å; F100-F343 HydrophobicContact CE1-CB 3.81Å; F100-F343 HydrophobicContact CE1-CD2 4.06Å; F100-F343 HydrophobicContact CE1-CG 4.44Å; F100-F343 HydrophobicContact CE2-CD2 4.21Å; F100-F343 AromaticContact CG-CD2 3.56Å; F100-F343 HydrophobicContact CG-CD2 3.56Å; F100-F343 HydrophobicContact CG-CE2 4.17Å; F100-F343 HydrophobicContact CG-CG 4.4Å; F100-F343 HydrophobicContact CZ-CD2 4.33Å; F100-I346 HydrophobicContact CE2-CD1 3.9Å; F100-I346 HydrophobicContact CZ-CD1 3.51Å
101H90.2Very high92.8Very high121 Ų12137.5 Ų37.556%0.5620%0.198SC*.  trans-114.5-32.9-177.1-68.7-57.5000113.5P59 R99P59-H101 WeakPolarHBondContact CD-O 3.43Å; R99-H101 PolarHBondContact O-CD2 3.36Å; R99-H101 PolarHBondContact O-N 2.77Å
102D90.9Very high92.6Very high32 Ų3238.8 Ų38.817%0.17121%0.208CC..  trans-143.1162.717862.134.5000111.7K55 T92 F100K55-D102 WeakPolarHBondContact CE-OD2 3.42Å; K55-D102 IonicContact NZ-OD2 3.99Å; K55-D102 PolarHBondContact NZ-OD2 3.15Å; T92-D102 WeakPolarHBondContact CB-O 3.49Å; T92-D102 PolarHBondContact OG1-O 3.47Å; F100-D102 VanDerWaalsContact CE2-O 3.26Å; F100-D102 WeakPolarHBondContact CE2-O 3.45Å
103F95.8Very high92.6Very high0 Ų040 Ų400%021%0.214CC..  trans-145.7167.2171.164.3-79.6000109.8L56 P59 F60 A69 L73 V90 F91 F100 L105 T342 I346L56-F103 HydrophobicContact CB-CE1 4.49Å; L56-F103 HydrophobicContact CD1-CD1 4.38Å; L56-F103 HydrophobicContact CD1-CD2 3.73Å; L56-F103 HydrophobicContact CD1-CE1 4.1Å; L56-F103 HydrophobicContact CD1-CE2 3.41Å; L56-F103 VanDerWaalsContact CD1-CE2 3.41Å; L56-F103 HydrophobicContact CD1-CG 4.21Å; L56-F103 HydrophobicContact CD1-CZ 3.62Å; L56-F103 HydrophobicContact CD2-CE1 3.98Å; L56-F103 HydrophobicContact CD2-CE2 4.22Å; L56-F103 HydrophobicContact CD2-CZ 3.59Å; L56-F103 HydrophobicContact CG-CE1 4.42Å; L56-F103 HydrophobicContact CG-CE2 4.41Å; L56-F103 HydrophobicContact CG-CZ 4.15Å; L56-F103 PolarHBondContact N-O 2.87Å; L56-F103 VanDerWaalsContact N-O 3.15Å; P59-F103 HydrophobicContact CB-CE1 4.01Å; P59-F103 HydrophobicContact CG-CD1 4.12Å; P59-F103 HydrophobicContact CG-CE1 3.99Å; F60-F103 HydrophobicContact CZ-CD1 4.22Å; F60-F103 HydrophobicContact CZ-CE1 4.13Å; A69-F103 HydrophobicContact CB-CE1 4.02Å; A69-F103 HydrophobicContact CB-CZ 3.98Å; L73-F103 HydrophobicContact CB-CE2 4.49Å; V90-F103 HydrophobicContact CG2-CD2 4.07Å; F91-F103 WeakPolarHBondContact O-CA 3.47Å; F91-F103 WeakPolarHBondContact O-CB 3.45Å; F100-F103 HydrophobicContact CE2-CB 3.94Å; F100-F103 HydrophobicContact CE2-CD1 4.23Å; F100-F103 HydrophobicContact CE2-CG 4.5Å; F100-F103 HydrophobicContact CZ-CB 4.24Å; F100-F103 AromaticContact CZ-CD1 3.86Å; F100-F103 HydrophobicContact CZ-CD1 3.86Å; F100-F103 HydrophobicContact CZ-CG 4.35Å; F103-L105 HydrophobicContact CD2-CD2 4.25Å; F103-L105 HydrophobicContact CD2-CG 4.36Å; F103-L105 HydrophobicContact CE2-CD1 4.46Å; F103-L105 HydrophobicContact CE2-CD2 3.91Å; F103-L105 HydrophobicContact CE2-CG 4.09Å; F103-T342 HydrophobicContact CD1-CG2 4.25Å; F103-T342 HydrophobicContact CE1-CG2 3.79Å; F103-T342 HydrophobicContact CZ-CG2 3.98Å; F103-I346 HydrophobicContact CB-CD1 3.56Å; F103-I346 HydrophobicContact CD1-CD1 4.26Å; F103-I346 HydrophobicContact CD2-CD1 3.99Å; F103-I346 HydrophobicContact CG-CD1 3.71Å
104Y96.6Very high92.8Very high0 Ų039.9 Ų39.90%021%0.213CC..EExtended strand (participates in β ladder)trans-126.9134.1-172.1-56.1-103.3000109.1W19 E20 V21 I53 K54 K55 V90 F91W19-Y104 HydrophobicContact CD2-CE1 4.16Å; W19-Y104 AromaticContact CE3-CD1 3.77Å; W19-Y104 HydrophobicContact CE3-CD1 3.77Å; W19-Y104 AromaticContact CE3-CE1 3.5Å; W19-Y104 HydrophobicContact CE3-CE1 3.5Å; W19-Y104 VanDerWaalsContact CE3-CE1 3.5Å; W19-Y104 AromaticContact CZ3-CD1 3.81Å; W19-Y104 HydrophobicContact CZ3-CD1 3.81Å; W19-Y104 AromaticContact CZ3-CE1 3.97Å; W19-Y104 HydrophobicContact CZ3-CE1 3.97Å; E20-Y104 PolarHBondContact N-OH 3.3Å; E20-Y104 VanDerWaalsContact N-OH 3.11Å; E20-Y104 WeakPolarHBondContact O-CE2 3.47Å; V21-Y104 HydrophobicContact CG1-CD1 4.29Å; V21-Y104 HydrophobicContact CG1-CE1 4.19Å; I53-Y104 HydrophobicContact CG2-CD1 4.13Å; I53-Y104 HydrophobicContact CG2-CG 4.5Å; K54-Y104 CarbonylContact O-C 3.56Å; K54-Y104 VanDerWaalsContact O-CA 3.28Å; K54-Y104 WeakPolarHBondContact O-CA 3.27Å; K55-Y104 HydrophobicContact CB-CD1 3.66Å; K55-Y104 HydrophobicContact CB-CE1 3.59Å; K55-Y104 HydrophobicContact CD-CE1 3.68Å; K55-Y104 HydrophobicContact CG-CD1 3.96Å; K55-Y104 HydrophobicContact CG-CE1 3.49Å; K55-Y104 VanDerWaalsContact CG-CE1 3.49Å; K55-Y104 PolarHBondContact NZ-OH 3.21Å; V90-Y104 WeakPolarHBondContact CA-O 3.39Å; V90-Y104 WeakPolarHBondContact CG2-O 3.48Å; F91-Y104 AromaticContact CD2-CD2 3.63Å; F91-Y104 HydrophobicContact CD2-CD2 3.63Å; F91-Y104 AromaticContact CD2-CG 3.96Å; F91-Y104 HydrophobicContact CD2-CG 3.96Å; F91-Y104 HydrophobicContact CE2-CD1 4.04Å; F91-Y104 AromaticContact CE2-CD2 3.3Å; F91-Y104 HydrophobicContact CE2-CD2 3.3Å; F91-Y104 HydrophobicContact CE2-CE2 4.1Å; F91-Y104 AromaticContact CE2-CG 3.29Å; F91-Y104 HydrophobicContact CE2-CG 3.29Å; F91-Y104 HydrophobicContact CZ-CD1 4.26Å; F91-Y104 HydrophobicContact CZ-CD2 4.21Å; F91-Y104 AromaticContact CZ-CG 3.72Å; F91-Y104 HydrophobicContact CZ-CG 3.72Å; F91-Y104 PolarHBondContact N-O 2.93Å; F91-Y104 VanDerWaalsContact N-O 3.08Å; F91-Y104 PolarHBondContact O-N 3.28Å
105L96.3Very high93Very high0 Ų038.9 Ų38.90%021%0.212CC..EExtended strand (participates in β ladder)trans-105.9127175.1-61.2166.6000108.4I53 K54 L56 E72 L73 L76 L87 V90 F103I53-L105 CarbonylContact C-O 3.51Å; I53-L105 WeakPolarHBondContact CA-O 3.42Å; K54-L105 HydrophobicContact CB-CB 4.41Å; K54-L105 PolarHBondContact N-O 3.15Å; K54-L105 PolarHBondContact O-N 2.8Å; L56-L105 HydrophobicContact CD1-CD1 3.72Å; L56-L105 HydrophobicContact CD1-CG 3.89Å; E72-L105 HydrophobicContact CG-CD1 4.35Å; L73-L105 HydrophobicContact CD1-CD2 3.84Å; L76-L105 HydrophobicContact CD1-CD1 3.67Å; L76-L105 HydrophobicContact CD1-CD2 4.21Å; L76-L105 HydrophobicContact CD1-CG 4.41Å; L87-L105 HydrophobicContact CD1-CB 4.03Å; L87-L105 HydrophobicContact CD1-CD2 3.67Å; L87-L105 HydrophobicContact CD1-CG 4.47Å; V90-L105 HydrophobicContact CB-CD2 4.42Å; V90-L105 HydrophobicContact CG2-CD2 3.95Å; F103-L105 HydrophobicContact CD2-CD2 4.25Å; F103-L105 HydrophobicContact CD2-CG 4.36Å; F103-L105 HydrophobicContact CE2-CD1 4.46Å; F103-L105 HydrophobicContact CE2-CD2 3.91Å; F103-L105 HydrophobicContact CE2-CG 4.09Å
106V96.9Very high93.3Very high0 Ų038.9 Ų38.90%021%0.208CC..EExtended strand (participates in β ladder)trans-104.5126.6176-171.90000108.9Y25 V51 A52 I53 L88 D89 F91Y25-V106 HydrophobicContact CE1-CG1 4.03Å; Y25-V106 HydrophobicContact CE2-CG2 4.06Å; V51-V106 HydrophobicContact CB-CG1 3.75Å; V51-V106 HydrophobicContact CG1-CG1 4.14Å; V51-V106 HydrophobicContact CG2-CG1 3.79Å; A52-V106 CarbonylContact O-C 3.6Å; A52-V106 WeakPolarHBondContact O-CA 3.45Å; I53-V106 HydrophobicContact CG1-CG1 4.37Å; I53-V106 HydrophobicContact CG1-CG2 4.21Å; I53-V106 HydrophobicContact CG2-CG2 4.39Å; L88-V106 HydrophobicContact CB-CG1 4.29Å; L88-V106 PolarHBondContact N-O 2.98Å; D89-V106 HydrophobicContact CB-CB 3.75Å; D89-V106 HydrophobicContact CB-CG1 4.42Å; D89-V106 HydrophobicContact CB-CG2 3.81Å; D89-V106 PolarHBondContact N-O 3.05Å; D89-V106 WeakPolarHBondContact O-CB 3.31Å; D89-V106 PolarHBondContact O-N 3.45Å; F91-V106 HydrophobicContact CD1-CG2 4.02Å; F91-V106 HydrophobicContact CE1-CG2 3.53Å
107M95.8Very high93.6Very high20 Ų2037.5 Ų37.510%0.09920%0.198CC..EExtended strand (participates in β ladder)trans-134.8162.5-173.6-63.4168.4-68.200110.1A52 K54 L76 I85 F109A52-M107 PolarHBondContact N-O 2.95Å; A52-M107 PolarHBondContact O-N 3.4Å; K54-M107 HydrophobicContact CB-CE 3.72Å; K54-M107 HydrophobicContact CD-CE 4.4Å; L76-M107 HydrophobicContact CD1-SD 4.45Å; L76-M107 HydrophobicContact CD2-SD 4.48Å; I85-M107 HydrophobicContact CD1-CB 4.09Å; I85-M107 HydrophobicContact CG1-CB 4Å; I85-M107 HydrophobicContact CG1-CG 4.12Å; I85-M107 HydrophobicContact CG1-SD 3.94Å; M107-F109 PolarHBondContact O-N 3.34Å
108P95.1Very high93.8Very high35 Ų3536.9 Ų36.923%0.22720%0.195CC..EExtended strand (participates in β ladder)trans-53.8136.8169.5-2535000111.6I85 G86 L88 K166I85-P108 HydrophobicContact CD1-CB 4.33Å; I85-P108 HydrophobicContact CD1-CG 4.26Å; G86-P108 WeakPolarHBondContact O-CD 3.42Å; L88-P108 HydrophobicContact CD1-CG 4.23Å; L88-P108 HydrophobicContact CD2-CG 4.3Å; L88-P108 HydrophobicContact CG-CG 4.25Å; P108-K166 HydrophobicContact CB-CD 4.46Å
109F95.3Very high94Very high59 Ų5939.1 Ų39.126%0.25920%0.198SC..  trans-85.2123.9173.7179.7-100.8000110V31 R50 A52 M107 G111V31-F109 HydrophobicContact CG2-CE2 3.92Å; R50-F109 HydrophobicContact CB-CB 4.42Å; R50-F109 HydrophobicContact CB-CD1 4.41Å; R50-F109 HydrophobicContact CG-CB 4.18Å; R50-F109 HydrophobicContact CG-CD1 3.97Å; R50-F109 HydrophobicContact CG-CG 3.98Å; R50-F109 VanDerWaalsContact O-CB 3.31Å; R50-F109 WeakPolarHBondContact O-CB 3.44Å; A52-F109 HydrophobicContact CB-CD2 4.34Å; M107-F109 PolarHBondContact O-N 3.34Å; F109-G111 VanDerWaalsContact CE1-CA 3.49Å
110M93.9Very high94.2Very high11 Ų1141.3 Ų41.35%0.05421%0.214CC..  trans-1073-176.1-62.9-60.7-63.300114.1T112 S158 V159 N160 E164 K166M110-T112 PolarHBondContact O-N 2.91Å; M110-S158 VanDerWaalsContact CB-CB 3.48Å; M110-V159 CarbonylContact O-C 3.58Å; M110-N160 HydrophobicContact CE-CB 4.19Å; M110-N160 WeakPolarHBondContact O-CA 3.33Å; M110-N160 WeakPolarHBondContact O-CB 3.28Å; M110-N160 PolarHBondContact O-N 3.48Å; M110-E164 HydrophobicContact CE-CB 4.35Å; M110-E164 WeakPolarHBondContact CE-O 3.21Å; M110-K166 HydrophobicContact CE-CB 4.31Å; M110-K166 HydrophobicContact CE-CD 4.24Å; M110-K166 HydrophobicContact CE-CG 3.87Å; M110-K166 HydrophobicContact CG-CB 4.38Å; M110-K166 HydrophobicContact CG-CD 4.24Å; M110-K166 HydrophobicContact CG-CG 4.48Å; M110-K166 HydrophobicContact SD-CB 4.38Å; M110-K166 HydrophobicContact SD-CD 3.56Å; M110-K166 VanDerWaalsContact SD-CD 3.56Å; M110-K166 VanDerWaalsContact SD-CE 3.53Å; M110-K166 HydrophobicContact SD-CG 3.87Å
111G89.6Confident94.2Very high46 Ų4645.5 Ų45.547%0.47423%0.234SC..SBendtrans81.7-75178.800000114.2F109F109-G111 VanDerWaalsContact CE1-CA 3.49Å
112T93.1Very high94.4Very high40 Ų4047.9 Ų47.925%0.24524%0.238CC..EExtended strand (participates in β ladder)trans-130.7-178.9-177-161.50000113.3M110 K116 S158 V159M110-T112 PolarHBondContact O-N 2.91Å; T112-K116 WeakPolarHBondContact OG1-CB 3.36Å; T112-S158 VanDerWaalsContact O-CA 3.31Å; T112-S158 WeakPolarHBondContact O-CA 3.36Å; T112-S158 PolarHBondContact O-OG 3.47Å; T112-V159 VanDerWaalsContact CG2-O 3.31Å; T112-V159 WeakPolarHBondContact CG2-O 3.42Å; T112-V159 PolarHBondContact N-O 3.04Å; T112-V159 PolarHBondContact O-N 2.94Å
113D94.1Very high94.7Very high25 Ų2547.5 Ų47.513%0.13424%0.236CC..EExtended strand (participates in β ladder)trans-116.3152.9170.265.782.2000110.6G115 K116 L117 L157D113-G115 PolarHBondContact O-N 3.25Å; D113-G115 WeakPolarHBondContact OD1-CA 3.45Å; D113-G115 PolarHBondContact OD1-N 3.27Å; D113-G115 VanDerWaalsContact OD1-N 3.14Å; D113-K116 PolarHBondContact O-N 2.89Å; D113-K116 PolarHBondContact OD1-N 3.43Å; D113-K116 VanDerWaalsContact OD2-CD 3.32Å; D113-K116 WeakPolarHBondContact OD2-CD 3.46Å; D113-K116 VanDerWaalsContact OD2-CE 3.27Å; D113-K116 WeakPolarHBondContact OD2-CE 3.46Å; D113-K116 WeakPolarHBondContact OD2-CG 3.3Å; D113-K116 IonicContact OD2-NZ 3.59Å; D113-K116 PolarHBondContact OD2-NZ 2.94Å; D113-L117 PolarHBondContact O-N 3.47Å; D113-L157 CarbonylContact C-O 3.48Å; D113-L157 VanDerWaalsContact CA-O 3.31Å; D113-L157 WeakPolarHBondContact CA-O 3.49Å
114L96.3Very high94.7Very high0 Ų050.7 Ų50.70%026%0.258CS..Hα-helixtrans-58-33.3-177.3-178.264.5000111.6K116 L117 M118 L123 L131 P154 L157 V159 I213 M217L114-K116 PolarHBondContact O-N 3.18Å; L114-L117 HydrophobicContact CD1-CD2 4.11Å; L114-L117 PolarHBondContact O-N 3.01Å; L114-M118 HydrophobicContact CD1-CG 4.09Å; L114-M118 HydrophobicContact CD1-SD 4.41Å; L114-M118 HydrophobicContact CG-CE 4.16Å; L114-M118 HydrophobicContact CG-CG 4.27Å; L114-M118 HydrophobicContact CG-SD 4.16Å; L114-M118 WeakPolarHBondContact O-CG 3.39Å; L114-M118 PolarHBondContact O-N 3.29Å; L114-L123 HydrophobicContact CD1-CD1 4.24Å; L114-L131 HydrophobicContact CD1-CD1 3.99Å; L114-P154 HydrophobicContact CB-CB 4.24Å; L114-P154 HydrophobicContact CD2-CB 4.44Å; L114-P154 HydrophobicContact CG-CB 4.32Å; L114-P154 PolarHBondContact N-O 3.24Å; L114-L157 HydrophobicContact CB-CB 3.98Å; L114-L157 HydrophobicContact CD2-CB 4.38Å; L114-L157 HydrophobicContact CD2-CD1 3.7Å; L114-L157 PolarHBondContact N-O 2.99Å; L114-V159 HydrophobicContact CB-CG2 4.35Å; L114-I213 HydrophobicContact CD2-CG2 3.66Å; L114-M217 HydrophobicContact CD1-SD 4.31Å; L114-M217 HydrophobicContact CD2-CE 3.95Å; L114-M217 HydrophobicContact CD2-SD 4.3Å
115G94.1Very high94.6Very high14 Ų1453.5 Ų53.514%0.14427%0.271CS..Hα-helixtrans-63.9-37.5176.900000113.4D113 K119 P154D113-G115 PolarHBondContact O-N 3.25Å; D113-G115 WeakPolarHBondContact OD1-CA 3.45Å; D113-G115 PolarHBondContact OD1-N 3.27Å; D113-G115 VanDerWaalsContact OD1-N 3.14Å; G115-K119 WeakPolarHBondContact O-CG 3.45Å; G115-P154 PolarHBondContact N-O 2.81Å
116K93.8Very high94.6Very high98 Ų9857.8 Ų57.843%0.42629%0.294SS..Hα-helixtrans-72.9-42.8171.1-70.8-179-170.71200111.6T112 D113 L114 M118 K119 M120T112-K116 WeakPolarHBondContact OG1-CB 3.36Å; D113-K116 PolarHBondContact O-N 2.89Å; D113-K116 PolarHBondContact OD1-N 3.43Å; D113-K116 VanDerWaalsContact OD2-CD 3.32Å; D113-K116 WeakPolarHBondContact OD2-CD 3.46Å; D113-K116 VanDerWaalsContact OD2-CE 3.27Å; D113-K116 WeakPolarHBondContact OD2-CE 3.46Å; D113-K116 WeakPolarHBondContact OD2-CG 3.3Å; D113-K116 IonicContact OD2-NZ 3.59Å; D113-K116 PolarHBondContact OD2-NZ 2.94Å; L114-K116 PolarHBondContact O-N 3.18Å; K116-M118 PolarHBondContact O-N 2.95Å; K116-K119 WeakPolarHBondContact O-CB 3.4Å; K116-K119 PolarHBondContact O-N 3.46Å; K116-K119 VanDerWaalsContact O-N 3.07Å; K116-M120 WeakPolarHBondContact O-CG 3.4Å; K116-M120 PolarHBondContact O-N 2.99Å
117L95.3Very high94.6Very high13 Ų1360 Ų607%0.06830%0.302CS..Hα-helixtrans-55.9-50.3179.8-174.166.2000111.9D113 L114 K119 M120 E121 L123 V159D113-L117 PolarHBondContact O-N 3.47Å; L114-L117 HydrophobicContact CD1-CD2 4.11Å; L114-L117 PolarHBondContact O-N 3.01Å; L117-K119 PolarHBondContact O-N 3.14Å; L117-K119 VanDerWaalsContact O-N 3.14Å; L117-M120 PolarHBondContact O-N 3.11Å; L117-E121 HydrophobicContact CD1-CG 4.44Å; L117-E121 WeakPolarHBondContact CD1-OE1 3.37Å; L117-E121 PolarHBondContact O-N 2.98Å; L117-E121 VanDerWaalsContact O-N 3.11Å; L117-L123 HydrophobicContact CD2-CD2 4.09Å; L117-L123 HydrophobicContact CG-CD2 4.19Å; L117-V159 HydrophobicContact CD2-CG1 4.34Å
118M95.6Very high94.7Very high22 Ų2259.1 Ų59.111%0.10830%0.298CS..Hα-helixtrans-65.3-16.3178.9-67.4-175.7-54.700114.3L114 K116 L123 P154 E216 M217L114-M118 HydrophobicContact CD1-CG 4.09Å; L114-M118 HydrophobicContact CD1-SD 4.41Å; L114-M118 HydrophobicContact CG-CE 4.16Å; L114-M118 HydrophobicContact CG-CG 4.27Å; L114-M118 HydrophobicContact CG-SD 4.16Å; L114-M118 WeakPolarHBondContact O-CG 3.39Å; L114-M118 PolarHBondContact O-N 3.29Å; K116-M118 PolarHBondContact O-N 2.95Å; M118-L123 HydrophobicContact CG-CD1 3.99Å; M118-P154 HydrophobicContact CE-CB 3.52Å; M118-P154 HydrophobicContact CE-CG 3.53Å; M118-E216 HydrophobicContact CE-CG 4.03Å; M118-E216 HydrophobicContact SD-CG 4.08Å; M118-M217 HydrophobicContact CG-CG 4.46Å; M118-M217 HydrophobicContact SD-CB 4.33Å; M118-M217 HydrophobicContact SD-CG 3.55Å; M118-M217 VanDerWaalsContact SD-CG 3.55Å
119K94.4Very high94.9Very high181 Ų18158 Ų5879%0.78729%0.29SS*.Hα-helixtrans-86.1-27.6172.7-71173.4-176.7176.50112.4G115 K116 L117G115-K119 WeakPolarHBondContact O-CG 3.45Å; K116-K119 WeakPolarHBondContact O-CB 3.4Å; K116-K119 PolarHBondContact O-N 3.46Å; K116-K119 VanDerWaalsContact O-N 3.07Å; L117-K119 PolarHBondContact O-N 3.14Å; L117-K119 VanDerWaalsContact O-N 3.14Å
120M92.4Very high95Very high151 Ų15158.4 Ų58.474%0.74429%0.291SS*.Hα-helixtrans-82.3-35.8-178.3-69.4173.160.800111.4K116 L117K116-M120 WeakPolarHBondContact O-CG 3.4Å; K116-M120 PolarHBondContact O-N 2.99Å; L117-M120 PolarHBondContact O-N 3.11Å
121E92.9Very high95.2Very high87 Ų8757.9 Ų57.941%0.40729%0.289SS..  trans-149.8166-175.766.6-173.8154.900113.6L117 L123 R127L117-E121 HydrophobicContact CD1-CG 4.44Å; L117-E121 WeakPolarHBondContact CD1-OE1 3.37Å; L117-E121 PolarHBondContact O-N 2.98Å; L117-E121 VanDerWaalsContact O-N 3.11Å; E121-L123 HydrophobicContact CG-CD2 4.32Å; E121-R127 IonicContact OE1-CZ 3.46Å; E121-R127 IonicContact OE1-NH1 2.65Å; E121-R127 PolarHBondContact OE1-NH1 3.29Å; E121-R127 IonicContact OE1-NH2 3.28Å; E121-R127 PolarHBondContact OE1-NH2 2.93Å; E121-R127 IonicContact OE2-NH1 2.74Å
122R94.8Very high95.6Very high172 Ų17255.7 Ų55.765%0.64927%0.266SS*.PPolyproline II helixtrans-91.9128.3170.6-68.9-66.6-179.6151.2-14.1109.2L219 G220R122-L219 PolarHBondContact NH1-O 3.05Å; R122-G220 PolarHBondContact NH2-O 3.44Å
123L96.1Very high95.9Very high23 Ų2353.9 Ų53.912%0.1226%0.255CS..PPolyproline II helixtrans-80.8136-179.8-54.5178.3000110.1L114 L117 M118 E121 R127 V128 L131 M217L114-L123 HydrophobicContact CD1-CD1 4.24Å; L117-L123 HydrophobicContact CD2-CD2 4.09Å; L117-L123 HydrophobicContact CG-CD2 4.19Å; M118-L123 HydrophobicContact CG-CD1 3.99Å; E121-L123 HydrophobicContact CG-CD2 4.32Å; L123-R127 HydrophobicContact CD2-CG 4.46Å; L123-V128 HydrophobicContact CB-CG2 3.96Å; L123-L131 HydrophobicContact CD1-CD1 4.05Å; L123-M217 HydrophobicContact CD1-CB 4.13Å; L123-M217 HydrophobicContact CD1-CG 3.82Å; L123-M217 HydrophobicContact CD1-SD 3.81Å
124S96.3Very high96.1Very high67 Ų6753 Ų5347%0.46925%0.25SS..PPolyproline II helixtrans-68.4158.3167.262.10000110.3D126 R127 V128S124-D126 VanDerWaalsContact C-N 3.32Å; S124-D126 PolarHBondContact O-N 3.01Å; S124-R127 PolarHBondContact O-N 3.42Å; S124-R127 VanDerWaalsContact O-N 3.16Å; S124-R127 WeakPolarHBondContact OG-CB 3.21Å; S124-R127 PolarHBondContact OG-N 3.42Å; S124-V128 WeakPolarHBondContact O-CG2 3.31Å; S124-V128 PolarHBondContact O-N 2.72Å
125Q95.3Very high96.2Very high59 Ų5953 Ų5328%0.27625%0.25SS..Hα-helixtrans-62-40-179-167178-82.200112.4R127 V128 Q129 S279 F308Q125-R127 PolarHBondContact O-N 3.27Å; Q125-V128 CarbonylContact O-C 3.59Å; Q125-V128 WeakPolarHBondContact O-CA 3.43Å; Q125-V128 WeakPolarHBondContact O-CB 3.18Å; Q125-V128 PolarHBondContact O-N 3.42Å; Q125-Q129 WeakPolarHBondContact O-CB 3.31Å; Q125-Q129 PolarHBondContact O-N 3.18Å; Q125-S279 VanDerWaalsContact NE2-CB 3.27Å; Q125-S279 PolarHBondContact NE2-OG 3.07Å; Q125-S279 VanDerWaalsContact NE2-OG 3.1Å; Q125-F308 HydrophobicContact CG-CE2 4.25Å; Q125-F308 HydrophobicContact CG-CZ 4.47Å
126D96.4Very high96.4Very high90 Ų9052.4 Ų52.448%0.48124%0.243SC..Hα-helixtrans-61.1-37.3177.4-44.6-17.1000110.8S124 Q129 F130S124-D126 VanDerWaalsContact C-N 3.32Å; S124-D126 PolarHBondContact O-N 3.01Å; D126-Q129 WeakPolarHBondContact O-CB 3.17Å; D126-Q129 PolarHBondContact O-N 3.44Å; D126-F130 WeakPolarHBondContact O-CB 3.3Å; D126-F130 PolarHBondContact O-N 3.27Å
127R96.7Very high96.7Very high48 Ų4847.9 Ų47.918%0.18122%0.224CC..Hα-helixtrans-70.5-36.6174.7-168.3170.6-177.4-164.47.4112.3E121 L123 S124 Q125 L131 C163E121-R127 IonicContact OE1-CZ 3.46Å; E121-R127 IonicContact OE1-NH1 2.65Å; E121-R127 PolarHBondContact OE1-NH1 3.29Å; E121-R127 IonicContact OE1-NH2 3.28Å; E121-R127 PolarHBondContact OE1-NH2 2.93Å; E121-R127 IonicContact OE2-NH1 2.74Å; L123-R127 HydrophobicContact CD2-CG 4.46Å; S124-R127 PolarHBondContact O-N 3.42Å; S124-R127 VanDerWaalsContact O-N 3.16Å; S124-R127 WeakPolarHBondContact OG-CB 3.21Å; S124-R127 PolarHBondContact OG-N 3.42Å; Q125-R127 PolarHBondContact O-N 3.27Å; R127-L131 HydrophobicContact CG-CD1 3.98Å; R127-L131 HydrophobicContact CG-CG 4.4Å; R127-L131 WeakPolarHBondContact O-CB 3.13Å; R127-L131 WeakPolarHBondContact O-CD1 3.43Å; R127-L131 VanDerWaalsContact O-CG 3.23Å; R127-L131 WeakPolarHBondContact O-CG 3.32Å; R127-L131 PolarHBondContact O-N 3.01Å; R127-C163 PolarHBondContact NE-SG 2.84Å; R127-C163 PolarHBondContact NH2-SG 3.32Å; R127-C163 VanDerWaalsContact NH2-SG 3.38Å
128V98Very high96.8Very high1 Ų147.2 Ų47.21%0.00622%0.221CC..Hα-helixtrans-62.1-46171.4177.30000110.3L123 S124 Q125 L131 V132 M214 M217 L218L123-V128 HydrophobicContact CB-CG2 3.96Å; S124-V128 WeakPolarHBondContact O-CG2 3.31Å; S124-V128 PolarHBondContact O-N 2.72Å; Q125-V128 CarbonylContact O-C 3.59Å; Q125-V128 WeakPolarHBondContact O-CA 3.43Å; Q125-V128 WeakPolarHBondContact O-CB 3.18Å; Q125-V128 PolarHBondContact O-N 3.42Å; V128-L131 PolarHBondContact O-N 3.47Å; V128-V132 HydrophobicContact CG1-CG2 4.05Å; V128-V132 WeakPolarHBondContact O-CB 3.46Å; V128-V132 WeakPolarHBondContact O-CG2 3.31Å; V128-V132 PolarHBondContact O-N 3.39Å; V128-M214 HydrophobicContact CG1-CG 4.12Å; V128-M217 HydrophobicContact CB-CB 4.5Å; V128-M217 HydrophobicContact CB-SD 4.47Å; V128-M217 HydrophobicContact CG1-CB 4.06Å; V128-M217 HydrophobicContact CG1-SD 4.15Å; V128-M217 HydrophobicContact CG2-CB 3.69Å; V128-M217 HydrophobicContact CG2-SD 4.28Å; V128-L218 HydrophobicContact CB-CD2 4.38Å; V128-L218 HydrophobicContact CG1-CD2 4.15Å; V128-L218 HydrophobicContact CG1-CG 4.22Å; V128-L218 HydrophobicContact CG2-CD2 4.21Å
129Q98.3Very high96.9Very high12 Ų1246.2 Ų46.26%0.05622%0.215CC..Hα-helixtrans-56.7-51.5177.7-172.2-172.3-7.200111.1Q125 D126 V132 Y133 F308 F309 F312Q125-Q129 WeakPolarHBondContact O-CB 3.31Å; Q125-Q129 PolarHBondContact O-N 3.18Å; D126-Q129 WeakPolarHBondContact O-CB 3.17Å; D126-Q129 PolarHBondContact O-N 3.44Å; Q129-V132 PolarHBondContact O-N 3.09Å; Q129-Y133 VanDerWaalsContact O-CB 3.29Å; Q129-Y133 WeakPolarHBondContact O-CB 3.37Å; Q129-Y133 PolarHBondContact O-N 3.36Å; Q129-F308 HydrophobicContact CB-CE1 3.87Å; Q129-F308 HydrophobicContact CB-CE2 4.15Å; Q129-F308 HydrophobicContact CB-CZ 3.58Å; Q129-F308 HydrophobicContact CG-CD1 4.25Å; Q129-F308 HydrophobicContact CG-CD2 4.48Å; Q129-F308 HydrophobicContact CG-CE1 3.96Å; Q129-F308 HydrophobicContact CG-CE2 4.19Å; Q129-F308 HydrophobicContact CG-CZ 3.92Å; Q129-F308 WeakPolarHBondContact CG-O 3.08Å; Q129-F308 PolarHBondContact NE2-O 3.22Å; Q129-F309 HydrophobicContact CG-CD1 4.26Å; Q129-F312 HydrophobicContact CB-CD2 4.41Å; Q129-F312 HydrophobicContact CB-CE2 4.13Å; Q129-F312 VanDerWaalsContact CD-CE2 3.43Å; Q129-F312 HydrophobicContact CG-CD2 3.83Å; Q129-F312 HydrophobicContact CG-CE2 3.9Å
130F97.8Very high97.1Very high66 Ų6638.9 Ų38.929%0.28918%0.184SC..Hα-helixtrans-63.9-43-179.9-172.4-122.3000113.1D126 Q134 C163 F312D126-F130 WeakPolarHBondContact O-CB 3.3Å; D126-F130 PolarHBondContact O-N 3.27Å; F130-Q134 VanDerWaalsContact CD1-NE2 3.29Å; F130-Q134 WeakPolarHBondContact O-CG 3.48Å; F130-Q134 PolarHBondContact O-N 3.35Å; F130-Q134 VanDerWaalsContact O-N 3.13Å; F130-Q134 PolarHBondContact O-NE2 3.02Å; F130-C163 HydrophobicContact CD1-CB 4.26Å; F130-C163 HydrophobicContact CE1-CB 4.28Å; F130-F312 HydrophobicContact CB-CD2 4.37Å; F130-F312 HydrophobicContact CB-CE2 4.27Å; F130-F312 HydrophobicContact CD2-CB 4.32Å; F130-F312 HydrophobicContact CD2-CD1 4.04Å; F130-F312 HydrophobicContact CD2-CD2 4.47Å; F130-F312 HydrophobicContact CD2-CG 4.02Å
131L98.4Very high97.4Very high0 Ų032.6 Ų32.60%015%0.152CC..Hα-helixtrans-67.3-42.6177.6-71.1169.7000111.9L114 L123 R127 V128 Q134 I135 V159 L165 M217L114-L131 HydrophobicContact CD1-CD1 3.99Å; L123-L131 HydrophobicContact CD1-CD1 4.05Å; R127-L131 HydrophobicContact CG-CD1 3.98Å; R127-L131 HydrophobicContact CG-CG 4.4Å; R127-L131 WeakPolarHBondContact O-CB 3.13Å; R127-L131 WeakPolarHBondContact O-CD1 3.43Å; R127-L131 VanDerWaalsContact O-CG 3.23Å; R127-L131 WeakPolarHBondContact O-CG 3.32Å; R127-L131 PolarHBondContact O-N 3.01Å; V128-L131 PolarHBondContact O-N 3.47Å; L131-Q134 PolarHBondContact O-N 3.44Å; L131-I135 WeakPolarHBondContact O-CD1 3.24Å; L131-I135 VanDerWaalsContact O-CG1 3.22Å; L131-I135 WeakPolarHBondContact O-CG1 3.37Å; L131-I135 PolarHBondContact O-N 3.22Å; L131-V159 HydrophobicContact CD2-CG1 4.04Å; L131-V159 HydrophobicContact CD2-CG2 4.07Å; L131-L165 HydrophobicContact CD2-CB 4.26Å; L131-L165 HydrophobicContact CD2-CD1 4.02Å; L131-M217 HydrophobicContact CB-CE 4.43Å; L131-M217 HydrophobicContact CB-SD 4.29Å; L131-M217 HydrophobicContact CD1-SD 4.18Å
132V98.6Very high97.6Very high0 Ų028.5 Ų28.50%013%0.132CC..Hα-helixtrans-67.2-39.2177.9176.50000111.1V128 Q129 Q134 I135 L136 V210 M214 M217 F309V128-V132 HydrophobicContact CG1-CG2 4.05Å; V128-V132 WeakPolarHBondContact O-CB 3.46Å; V128-V132 WeakPolarHBondContact O-CG2 3.31Å; V128-V132 PolarHBondContact O-N 3.39Å; Q129-V132 PolarHBondContact O-N 3.09Å; V132-Q134 PolarHBondContact O-N 2.97Å; V132-I135 PolarHBondContact O-N 2.89Å; V132-L136 HydrophobicContact CG1-CD1 4Å; V132-L136 HydrophobicContact CG1-CG 4.29Å; V132-L136 WeakPolarHBondContact O-CG 3.41Å; V132-L136 PolarHBondContact O-N 3.12Å; V132-V210 HydrophobicContact CG1-CG1 3.96Å; V132-M214 HydrophobicContact CG1-SD 4.26Å; V132-M214 HydrophobicContact CG2-CB 3.86Å; V132-M214 HydrophobicContact CG2-CG 3.92Å; V132-M214 HydrophobicContact CG2-SD 4.3Å; V132-M217 HydrophobicContact CG2-CE 3.54Å; V132-F309 HydrophobicContact CB-CE1 3.96Å; V132-F309 HydrophobicContact CB-CZ 4.33Å; V132-F309 HydrophobicContact CG1-CE1 3.73Å; V132-F309 HydrophobicContact CG1-CZ 3.59Å
133Y98.6Very high97.6Very high3 Ų320.9 Ų20.91%0.01210%0.104CC..Hα-helixtrans-55.2-50.8173.3176.5-109.2000111.3Q129 I135 L136 K137 L304 F309 F312 R313 E314Q129-Y133 VanDerWaalsContact O-CB 3.29Å; Q129-Y133 WeakPolarHBondContact O-CB 3.37Å; Q129-Y133 PolarHBondContact O-N 3.36Å; Y133-I135 VanDerWaalsContact C-N 3.35Å; Y133-I135 PolarHBondContact O-N 3.47Å; Y133-L136 PolarHBondContact O-N 3.27Å; Y133-L136 VanDerWaalsContact O-N 3.17Å; Y133-K137 HydrophobicContact CE1-CD 4.21Å; Y133-K137 WeakPolarHBondContact O-CB 3.47Å; Y133-K137 PolarHBondContact O-N 2.65Å; Y133-L304 HydrophobicContact CD2-CD2 3.44Å; Y133-L304 VanDerWaalsContact CD2-CD2 3.44Å; Y133-L304 HydrophobicContact CE2-CD2 3.5Å; Y133-L304 VanDerWaalsContact CE2-CD2 3.5Å; Y133-L304 HydrophobicContact CG-CD2 4.45Å; Y133-F309 HydrophobicContact CD2-CB 4.04Å; Y133-F309 HydrophobicContact CD2-CD1 4.34Å; Y133-F309 HydrophobicContact CD2-CG 4.32Å; Y133-F312 HydrophobicContact CD1-CB 4.4Å; Y133-F312 WeakPolarHBondContact CE1-O 3.41Å; Y133-R313 HydrophobicContact CE2-CB 4.27Å; Y133-R313 HydrophobicContact CE2-CG 4.15Å; Y133-E314 PolarHBondContact OH-N 3.28Å; Y133-E314 PolarHBondContact OH-O 3.36Å
134Q98.6Very high97.6Very high7 Ų721.5 Ų21.53%0.03311%0.11CC..Hα-helixtrans-61.5-38.2177.3-72.5-179.679.200113.3N83 F130 L131 V132 G138 C163 L165N83-Q134 VanDerWaalsContact CB-O 3.24Å; N83-Q134 WeakPolarHBondContact CB-O 3.47Å; N83-Q134 WeakPolarHBondContact ND2-CB 3.38Å; N83-Q134 PolarHBondContact ND2-OE1 3.23Å; N83-Q134 PolarHBondContact OD1-O 2.84Å; F130-Q134 VanDerWaalsContact CD1-NE2 3.29Å; F130-Q134 WeakPolarHBondContact O-CG 3.48Å; F130-Q134 PolarHBondContact O-N 3.35Å; F130-Q134 VanDerWaalsContact O-N 3.13Å; F130-Q134 PolarHBondContact O-NE2 3.02Å; L131-Q134 PolarHBondContact O-N 3.44Å; V132-Q134 PolarHBondContact O-N 2.97Å; Q134-G138 PolarHBondContact O-N 3.47Å; Q134-C163 PolarHBondContact NE2-O 3.4Å; Q134-L165 HydrophobicContact CB-CB 4.06Å; Q134-L165 HydrophobicContact CB-CD2 4.4Å
135I98.6Very high97.6Very high0 Ų018.3 Ų18.30%09%0.088CC..Hα-helixtrans-62.8-45.7174.7-64.3161.8000110.4L131 V132 Y133 G138 L139 L157 L165 V210 M217L131-I135 WeakPolarHBondContact O-CD1 3.24Å; L131-I135 VanDerWaalsContact O-CG1 3.22Å; L131-I135 WeakPolarHBondContact O-CG1 3.37Å; L131-I135 PolarHBondContact O-N 3.22Å; V132-I135 PolarHBondContact O-N 2.89Å; Y133-I135 VanDerWaalsContact C-N 3.35Å; Y133-I135 PolarHBondContact O-N 3.47Å; I135-G138 PolarHBondContact O-N 3.4Å; I135-L139 HydrophobicContact CG2-CD1 4.32Å; I135-L139 WeakPolarHBondContact O-CB 3.47Å; I135-L139 WeakPolarHBondContact O-CG 3.45Å; I135-L139 PolarHBondContact O-N 2.94Å; I135-L157 HydrophobicContact CD1-CD1 3.56Å; I135-L157 HydrophobicContact CD1-CD2 4.48Å; I135-L157 HydrophobicContact CG1-CD1 4.07Å; I135-L157 HydrophobicContact CG1-CD2 4.06Å; I135-L165 HydrophobicContact CD1-CD1 3.97Å; I135-L165 HydrophobicContact CG1-CD1 3.57Å; I135-L165 HydrophobicContact CG1-CD2 3.77Å; I135-L165 HydrophobicContact CG1-CG 4.35Å; I135-V210 HydrophobicContact CG2-CG1 4.42Å; I135-V210 HydrophobicContact CG2-CG2 3.59Å; I135-M217 HydrophobicContact CD1-CE 4.16Å
136L98.7Very high97.4Very high0 Ų017.4 Ų17.40%09%0.094CC..Hα-helixtrans-67.6-39.6179.8-69172000112.1V132 Y133 L139 K140 I207 V210 M289 A303 L304 F309V132-L136 HydrophobicContact CG1-CD1 4Å; V132-L136 HydrophobicContact CG1-CG 4.29Å; V132-L136 WeakPolarHBondContact O-CG 3.41Å; V132-L136 PolarHBondContact O-N 3.12Å; Y133-L136 PolarHBondContact O-N 3.27Å; Y133-L136 VanDerWaalsContact O-N 3.17Å; L136-L139 PolarHBondContact O-N 3.47Å; L136-K140 PolarHBondContact O-N 3.4Å; L136-I207 HydrophobicContact CD2-CD1 4.1Å; L136-V210 HydrophobicContact CD2-CG1 4.18Å; L136-V210 HydrophobicContact CG-CG1 4.48Å; L136-M289 HydrophobicContact CD1-CE 3.85Å; L136-M289 HydrophobicContact CD2-CE 3.78Å; L136-M289 HydrophobicContact CG-CE 4.3Å; L136-A303 HydrophobicContact CD1-CB 3.77Å; L136-A303 HydrophobicContact CD2-CB 4.01Å; L136-L304 HydrophobicContact CB-CD1 4.44Å; L136-L304 HydrophobicContact CB-CD2 3.64Å; L136-L304 HydrophobicContact CB-CG 3.82Å; L136-L304 HydrophobicContact CD1-CD2 4.49Å; L136-F309 HydrophobicContact CD1-CD2 4.39Å; L136-F309 HydrophobicContact CD1-CE1 4.25Å; L136-F309 HydrophobicContact CD1-CE2 3.56Å; L136-F309 HydrophobicContact CD1-CZ 3.47Å; L136-F309 VanDerWaalsContact CD1-CZ 3.47Å
137K98.3Very high97.1Very high3 Ų313.1 Ų13.11%0.0137%0.072CC..Hα-helixtrans-58.6-49.6174.5-164.816965.1164.70110.6E82 N83 Y133 L139 K140 Y141 E317E82-K137 VanDerWaalsContact OE1-CE 3.31Å; E82-K137 WeakPolarHBondContact OE1-CE 3.27Å; E82-K137 IonicContact OE1-NZ 3.12Å; E82-K137 PolarHBondContact OE1-NZ 2.9Å; E82-K137 IonicContact OE2-NZ 3.46Å; E82-K137 PolarHBondContact OE2-NZ 3.09Å; N83-K137 WeakPolarHBondContact OD1-CE 3.3Å; Y133-K137 HydrophobicContact CE1-CD 4.21Å; Y133-K137 WeakPolarHBondContact O-CB 3.47Å; Y133-K137 PolarHBondContact O-N 2.65Å; K137-L139 PolarHBondContact O-N 3.27Å; K137-K140 PolarHBondContact O-N 2.87Å; K137-Y141 PolarHBondContact O-N 3.14Å; K137-E317 HydrophobicContact CD-CB 3.91Å; K137-E317 IonicContact NZ-OE2 4Å; K137-E317 PolarHBondContact NZ-OE2 3.09Å
138G98.3Very high96.9Very high0 Ų011.1 Ų11.10%07%0.065CC..Hα-helixtrans-62.1-39.2173.800000113.9Q134 I135 Y141 I142Q134-G138 PolarHBondContact O-N 3.47Å; I135-G138 PolarHBondContact O-N 3.4Å; G138-Y141 PolarHBondContact O-N 2.82Å; G138-I142 WeakPolarHBondContact O-CD1 3.27Å; G138-I142 VanDerWaalsContact O-CG1 3.27Å; G138-I142 WeakPolarHBondContact O-CG1 3.44Å; G138-I142 PolarHBondContact O-N 3.24Å
139L98.2Very high96.6Very high0 Ų011.1 Ų11.10%06%0.064CC..Hα-helixtrans-68.1-39176.9-83.3-177.3000113.1I135 L136 K137 Y141 I142 H143 L152 I167 D206 I207 V210 A300I135-L139 HydrophobicContact CG2-CD1 4.32Å; I135-L139 WeakPolarHBondContact O-CB 3.47Å; I135-L139 WeakPolarHBondContact O-CG 3.45Å; I135-L139 PolarHBondContact O-N 2.94Å; L136-L139 PolarHBondContact O-N 3.47Å; K137-L139 PolarHBondContact O-N 3.27Å; L139-Y141 VanDerWaalsContact C-N 3.29Å; L139-Y141 PolarHBondContact O-N 3.34Å; L139-I142 HydrophobicContact CD2-CD1 4.42Å; L139-I142 PolarHBondContact O-N 3.26Å; L139-H143 VanDerWaalsContact O-CB 3.24Å; L139-H143 WeakPolarHBondContact O-CB 3.45Å; L139-H143 PolarHBondContact O-N 2.9Å; L139-L152 HydrophobicContact CD1-CD1 3.72Å; L139-L152 HydrophobicContact CD2-CD1 3.87Å; L139-L152 HydrophobicContact CG-CD1 4.09Å; L139-I167 HydrophobicContact CD2-CD1 4.42Å; L139-I167 HydrophobicContact CG-CD1 4.2Å; L139-D206 HydrophobicContact CD1-CB 3.99Å; L139-D206 HydrophobicContact CD2-CB 3.95Å; L139-I207 HydrophobicContact CD1-CD1 4.34Å; L139-V210 HydrophobicContact CD1-CG2 3.49Å; L139-V210 VanDerWaalsContact CD1-CG2 3.49Å; L139-A300 HydrophobicContact CB-CB 4.11Å
140K98.3Very high96Very high28 Ų2811.5 Ų11.512%0.1227%0.065CC..Hα-helixtrans-54.4-49.3173.1179.8-174.7-175.9-174.80110.2L136 K137 H143 S144 A300 L304 E318L136-K140 PolarHBondContact O-N 3.4Å; K137-K140 PolarHBondContact O-N 2.87Å; K140-H143 PolarHBondContact O-N 3.34Å; K140-S144 WeakPolarHBondContact O-CB 3.28Å; K140-S144 PolarHBondContact O-N 2.75Å; K140-S144 PolarHBondContact O-OG 3.46Å; K140-A300 HydrophobicContact CB-CB 4.11Å; K140-L304 HydrophobicContact CB-CD1 4.19Å; K140-L304 HydrophobicContact CD-CD1 3.9Å; K140-E318 HydrophobicContact CD-CB 3.97Å; K140-E318 VanDerWaalsContact CE-O 3.26Å; K140-E318 WeakPolarHBondContact CE-O 3.5Å; K140-E318 PolarHBondContact NZ-O 3.24Å; K140-E318 IonicContact NZ-OE2 2.62Å; K140-E318 PolarHBondContact NZ-OE2 3.36Å; K140-E318 VanDerWaalsContact NZ-OE2 3.12Å
141Y98.1Very high95.5Very high19 Ų199 Ų98%0.0756%0.055CC..Hα-helixtrans-58.9-49.7176.2-174.1-87.9000112.1M79 K80 H81 V84 K137 G138 L139 H143 S144 A145 A321M79-Y141 HydrophobicContact SD-CD1 3.97Å; M79-Y141 HydrophobicContact SD-CE1 3.68Å; K80-Y141 PolarHBondContact N-OH 2.82Å; K80-Y141 PolarHBondContact O-OH 2.84Å; H81-Y141 HydrophobicContact CB-CD1 3.7Å; H81-Y141 HydrophobicContact CB-CD2 3.9Å; H81-Y141 HydrophobicContact CB-CE1 3.95Å; H81-Y141 HydrophobicContact CB-CE2 4.12Å; H81-Y141 HydrophobicContact CB-CG 3.68Å; H81-Y141 AromaticContact CD2-CD2 3.49Å; H81-Y141 VanDerWaalsContact CD2-CD2 3.49Å; H81-Y141 WeakPolarHBondContact CD2-CD2 3.35Å; H81-Y141 AromaticContact CD2-CG 3.62Å; H81-Y141 AromaticContact CG-CD2 3.98Å; H81-Y141 AromaticContact CG-CG 3.76Å; V84-Y141 HydrophobicContact CG2-CD1 4.46Å; K137-Y141 PolarHBondContact O-N 3.14Å; G138-Y141 PolarHBondContact O-N 2.82Å; L139-Y141 VanDerWaalsContact C-N 3.29Å; L139-Y141 PolarHBondContact O-N 3.34Å; Y141-H143 PolarHBondContact O-N 3.39Å; Y141-S144 PolarHBondContact O-N 3.01Å; Y141-S144 PolarHBondContact O-OG 3.35Å; Y141-A145 PolarHBondContact O-N 2.74Å; Y141-A321 HydrophobicContact CD1-CB 3.97Å; Y141-A321 HydrophobicContact CD2-CB 4.02Å; Y141-A321 HydrophobicContact CE1-CB 3.59Å; Y141-A321 HydrophobicContact CE2-CB 3.67Å; Y141-A321 HydrophobicContact CG-CB 4.16Å; Y141-A321 VanDerWaalsContact CZ-CB 3.42Å; Y141-A321 WeakPolarHBondContact O-CB 3.38Å
142I96.4Very high95.3Very high0 Ų09.2 Ų9.20%06%0.056CC..Hα-helixtrans-61.5-44.4179.5-67.6162.6000111.6M79 V84 G138 L139 A145 I147 I167 F170M79-I142 HydrophobicContact SD-CG1 4.26Å; V84-I142 HydrophobicContact CG1-CD1 4.33Å; V84-I142 HydrophobicContact CG1-CG1 4.39Å; V84-I142 HydrophobicContact CG2-CD1 3.84Å; V84-I142 HydrophobicContact CG2-CG1 3.88Å; G138-I142 WeakPolarHBondContact O-CD1 3.27Å; G138-I142 VanDerWaalsContact O-CG1 3.27Å; G138-I142 WeakPolarHBondContact O-CG1 3.44Å; G138-I142 PolarHBondContact O-N 3.24Å; L139-I142 HydrophobicContact CD2-CD1 4.42Å; L139-I142 PolarHBondContact O-N 3.26Å; I142-A145 WeakPolarHBondContact O-CB 3.46Å; I142-A145 PolarHBondContact O-N 3.49Å; I142-I147 HydrophobicContact CG2-CB 3.88Å; I142-I147 HydrophobicContact CG2-CG2 3.74Å; I142-I147 WeakPolarHBondContact CG2-O 3.46Å; I142-I147 PolarHBondContact O-N 3.44Å; I142-I167 HydrophobicContact CD1-CB 4.47Å; I142-I167 HydrophobicContact CD1-CD1 3.92Å; I142-I167 HydrophobicContact CD1-CG2 4.16Å; I142-F170 HydrophobicContact CD1-CE1 3.79Å; I142-F170 HydrophobicContact CD1-CZ 3.82Å; I142-F170 HydrophobicContact CG1-CE1 4.06Å; I142-F170 HydrophobicContact CG1-CZ 4.16Å; I142-F170 HydrophobicContact CG2-CE1 4.32Å
143H96.3Very high95Very high13 Ų1311.2 Ų11.26%0.067%0.065CC..Hα-helixtrans-67.8-39.3-178-71179.5000111.7L139 K140 Y141 A145 G146 I147 Q203 D206L139-H143 VanDerWaalsContact O-CB 3.24Å; L139-H143 WeakPolarHBondContact O-CB 3.45Å; L139-H143 PolarHBondContact O-N 2.9Å; K140-H143 PolarHBondContact O-N 3.34Å; Y141-H143 PolarHBondContact O-N 3.39Å; H143-A145 PolarHBondContact O-N 3.48Å; H143-G146 PolarHBondContact O-N 2.95Å; H143-I147 PolarHBondContact CD2-O 3.42Å; H143-Q203 HydrophobicContact CB-CB 4.49Å; H143-Q203 PolarHBondContact CE1-O 2.86Å; H143-Q203 VanDerWaalsContact CE1-O 3.22Å; H143-D206 IonicContact CD2-OD2 3.46Å; H143-D206 IonicContact CE1-OD2 3.48Å; H143-D206 IonicContact NE2-OD2 2.77Å; H143-D206 PolarHBondContact NE2-OD2 2.95Å
144S96.4Very high94.9Very high35 Ų3511.2 Ų11.225%0.2457%0.065CC..Hα-helixtrans-62.6-26.2174.268.80000113.3K140 Y141 G146 E320 A321K140-S144 WeakPolarHBondContact O-CB 3.28Å; K140-S144 PolarHBondContact O-N 2.75Å; K140-S144 PolarHBondContact O-OG 3.46Å; Y141-S144 PolarHBondContact O-N 3.01Å; Y141-S144 PolarHBondContact O-OG 3.35Å; S144-G146 PolarHBondContact O-N 3.26Å; S144-E320 WeakPolarHBondContact OG-CA 3.38Å; S144-A321 PolarHBondContact OG-N 2.93Å
145A94.5Very high94.6Very high1 Ų112.7 Ų12.71%0.0088%0.082CC..THydrogen-bonded Turntrans-74.9-5.217200000113.9M79 Y141 I142 H143 I147 A321 Y324M79-A145 HydrophobicContact CE-CB 4.43Å; Y141-A145 PolarHBondContact O-N 2.74Å; I142-A145 WeakPolarHBondContact O-CB 3.46Å; I142-A145 PolarHBondContact O-N 3.49Å; H143-A145 PolarHBondContact O-N 3.48Å; A145-I147 HydrophobicContact CB-CD1 3.87Å; A145-I147 HydrophobicContact CB-CG1 4.35Å; A145-A321 HydrophobicContact CB-CB 3.74Å; A145-Y324 PolarHBondContact O-N 3.35Å
146G91.6Very high94.3Very high39 Ų3913.3 Ų13.340%0.4029%0.085SC..THydrogen-bonded Turntrans81.716.2-173.600000114.2H143 S144 H326H143-G146 PolarHBondContact O-N 2.95Å; S144-G146 PolarHBondContact O-N 3.26Å; G146-H326 PolarHBondContact O-NE2 3.4Å
147I91.6Very high94.2Very high1 Ų113.3 Ų13.31%0.0059%0.085CC..  trans-106.1138.9-174-66.8159.5000110.3L75 M79 I142 H143 A145 A173 Y324L75-I147 HydrophobicContact CD2-CD1 3.34Å; L75-I147 HydrophobicContact CD2-CG1 4.11Å; M79-I147 HydrophobicContact CE-CD1 3.2Å; M79-I147 HydrophobicContact CE-CG1 4.45Å; I142-I147 HydrophobicContact CG2-CB 3.88Å; I142-I147 HydrophobicContact CG2-CG2 3.74Å; I142-I147 WeakPolarHBondContact CG2-O 3.46Å; I142-I147 PolarHBondContact O-N 3.44Å; H143-I147 PolarHBondContact CD2-O 3.42Å; A145-I147 HydrophobicContact CB-CD1 3.87Å; A145-I147 HydrophobicContact CB-CG1 4.35Å; I147-A173 HydrophobicContact CG2-CB 3.92Å; I147-Y324 HydrophobicContact CD1-CD1 4.27Å; I147-Y324 HydrophobicContact CD1-CD2 4.31Å; I147-Y324 HydrophobicContact CD1-CG 3.82Å; I147-Y324 HydrophobicContact CG1-CD1 4.49Å; I147-Y324 HydrophobicContact CG1-CG 4.45Å
148I91Very high94.1Very high6 Ų614 Ų143%0.0319%0.091CC..BIsolated β-bridgetrans-113.1131172.8-50.6173.7000108.3R150 A173 R174 T176 Q203 V205 D206I148-R150 HydrophobicContact CB-CG 4.05Å; I148-R150 HydrophobicContact CG2-CG 3.54Å; I148-A173 VanDerWaalsContact O-CA 3.27Å; I148-A173 WeakPolarHBondContact O-CA 3.42Å; I148-A173 WeakPolarHBondContact O-CB 3.34Å; I148-R174 PolarHBondContact N-O 2.97Å; I148-R174 PolarHBondContact O-N 3.15Å; I148-T176 HydrophobicContact CD1-CG2 3.89Å; I148-Q203 HydrophobicContact CG1-CB 4.35Å; I148-V205 HydrophobicContact CG2-CG2 3.51Å; I148-D206 WeakPolarHBondContact CG2-OD2 3.41Å
149H91.5Very high94Very high0 Ų014.1 Ų14.10%09%0.091CC..  trans-72.7-46.7-176.8-174-74000112D151 L152 L168 D206H149-D151 VanDerWaalsContact CE1-C 3.46Å; H149-D151 PolarHBondContact CE1-O 2.97Å; H149-D151 VanDerWaalsContact ND1-C 3.33Å; H149-D151 PolarHBondContact ND1-N 2.96Å; H149-D151 PolarHBondContact O-N 3.14Å; H149-L152 HydrophobicContact CB-CG 4.18Å; H149-L152 PolarHBondContact ND1-N 2.88Å; H149-L152 VanDerWaalsContact ND1-N 3.14Å; H149-L168 PolarHBondContact NE2-O 3.32Å; H149-D206 PolarHBondContact N-OD2 3.02Å
150R87.1Confident93.8Very high21 Ų2115.6 Ų15.68%0.07910%0.099CC..  trans65.6-16.8175.2-56-177.1176.2-167.25.7118I148 Q175 T178 Y201 D206I148-R150 HydrophobicContact CB-CG 4.05Å; I148-R150 HydrophobicContact CG2-CG 3.54Å; R150-Q175 PolarHBondContact NH2-O 3.11Å; R150-T178 PolarHBondContact NH1-O 3.14Å; R150-Y201 VanDerWaalsContact CZ-CZ 3.49Å; R150-Y201 PolarHBondContact NH1-OH 2.93Å; R150-Y201 PolarHBondContact NH2-OH 2.97Å; R150-D206 PolarHBondContact N-OD1 3.09Å
151D86.9Confident93.4Very high14 Ų1423.5 Ų23.58%0.07514%0.136CC..  trans-125.337.9176.6-159.453.4000112H149 K153 N156 L172 R190H149-D151 VanDerWaalsContact CE1-C 3.46Å; H149-D151 PolarHBondContact CE1-O 2.97Å; H149-D151 VanDerWaalsContact ND1-C 3.33Å; H149-D151 PolarHBondContact ND1-N 2.96Å; H149-D151 PolarHBondContact O-N 3.14Å; D151-K153 PolarHBondContact O-N 3Å; D151-K153 IonicContact OD1-NZ 2.64Å; D151-K153 IonicContact OD2-NZ 3.66Å; D151-K153 PolarHBondContact OD2-NZ 2.97Å; D151-N156 PolarHBondContact O-ND2 3Å; D151-N156 PolarHBondContact OD2-ND2 3.2Å; D151-L172 HydrophobicContact CB-CD1 3.99Å; D151-R190 IonicContact OD1-NH2 2.64Å
152L93.3Very high93.1Very high3 Ų328.6 Ų28.62%0.01617%0.165CC..  trans-66.1128174.9-89.9-172000110.2L139 H149 L157 I167 Y189 D206 V210 I213L139-L152 HydrophobicContact CD1-CD1 3.72Å; L139-L152 HydrophobicContact CD2-CD1 3.87Å; L139-L152 HydrophobicContact CG-CD1 4.09Å; H149-L152 HydrophobicContact CB-CG 4.18Å; H149-L152 PolarHBondContact ND1-N 2.88Å; H149-L152 VanDerWaalsContact ND1-N 3.14Å; L152-L157 HydrophobicContact CD2-CD2 4.01Å; L152-I167 HydrophobicContact CD2-CG2 3.97Å; L152-Y189 VanDerWaalsContact O-CB 3.28Å; L152-Y189 WeakPolarHBondContact O-CB 3.18Å; L152-D206 HydrophobicContact CD1-CB 4.11Å; L152-V210 HydrophobicContact CD1-CG2 4.07Å; L152-I213 HydrophobicContact CB-CD1 4.49Å
153K93.6Very high92.9Very high42 Ų4229.7 Ų29.718%0.18317%0.173CC..  trans-161.5162.2178.765.8-163.6179.7-151.20108.7D151 G155 N156 Y189D151-K153 PolarHBondContact O-N 3Å; D151-K153 IonicContact OD1-NZ 2.64Å; D151-K153 IonicContact OD2-NZ 3.66Å; D151-K153 PolarHBondContact OD2-NZ 2.97Å; K153-G155 PolarHBondContact O-N 3.33Å; K153-G155 VanDerWaalsContact O-N 3.09Å; K153-N156 WeakPolarHBondContact CE-ND2 3.49Å; K153-N156 HydrophobicContact CG-CB 4.22Å; K153-N156 PolarHBondContact O-N 3.32Å; K153-Y189 HydrophobicContact CB-CD2 3.49Å; K153-Y189 VanDerWaalsContact CB-CD2 3.49Å; K153-Y189 HydrophobicContact CB-CE2 3.92Å; K153-Y189 HydrophobicContact CB-CG 4.06Å
154P95.4Very high92.9Very high4 Ų434 Ų343%0.02619%0.193CC..G310 helixtrans-56.5-32.1-177.5-27.836.5000114.6L114 G115 M118 N156 L157 Y189 I213L114-P154 HydrophobicContact CB-CB 4.24Å; L114-P154 HydrophobicContact CD2-CB 4.44Å; L114-P154 HydrophobicContact CG-CB 4.32Å; L114-P154 PolarHBondContact N-O 3.24Å; G115-P154 PolarHBondContact N-O 2.81Å; M118-P154 HydrophobicContact CE-CB 3.52Å; M118-P154 HydrophobicContact CE-CG 3.53Å; P154-N156 PolarHBondContact O-N 3.38Å; P154-L157 PolarHBondContact O-N 3.23Å; P154-Y189 VanDerWaalsContact CD-CE2 3.49Å; P154-Y189 HydrophobicContact CG-CE1 3.84Å; P154-Y189 HydrophobicContact CG-CE2 4.38Å; P154-I213 HydrophobicContact CG-CG1 4.23Å
155G91.6Very high92.9Very high37 Ų3732.3 Ų32.338%0.38118%0.181SC..G310 helixtrans-71.5-12.5176.500000115.2K153K153-G155 PolarHBondContact O-N 3.33Å; K153-G155 VanDerWaalsContact O-N 3.09Å
156N93.8Very high93.1Very high13 Ų1334 Ų347%0.0719%0.188CC..G310 helixtrans-102.812.6175.3-71.6-5000111.8D151 K153 P154 L168D151-N156 PolarHBondContact O-ND2 3Å; D151-N156 PolarHBondContact OD2-ND2 3.2Å; K153-N156 WeakPolarHBondContact CE-ND2 3.49Å; K153-N156 HydrophobicContact CG-CB 4.22Å; K153-N156 PolarHBondContact O-N 3.32Å; P154-N156 PolarHBondContact O-N 3.38Å; N156-L168 WeakPolarHBondContact O-CB 3.48Å; N156-L168 PolarHBondContact O-N 2.79Å
157L96.5Very high93.4Very high0 Ų032.1 Ų32.10%017%0.169CC..EExtended strand (participates in β ladder)trans-120.7106.7176.8-62.8174.5000107.5D113 L114 I135 L152 P154 L165 I167 I213D113-L157 CarbonylContact C-O 3.48Å; D113-L157 VanDerWaalsContact CA-O 3.31Å; D113-L157 WeakPolarHBondContact CA-O 3.49Å; L114-L157 HydrophobicContact CB-CB 3.98Å; L114-L157 HydrophobicContact CD2-CB 4.38Å; L114-L157 HydrophobicContact CD2-CD1 3.7Å; L114-L157 PolarHBondContact N-O 2.99Å; I135-L157 HydrophobicContact CD1-CD1 3.56Å; I135-L157 HydrophobicContact CD1-CD2 4.48Å; I135-L157 HydrophobicContact CG1-CD1 4.07Å; I135-L157 HydrophobicContact CG1-CD2 4.06Å; L152-L157 HydrophobicContact CD2-CD2 4.01Å; P154-L157 PolarHBondContact O-N 3.23Å; L157-L165 HydrophobicContact CB-CD1 4.18Å; L157-L165 HydrophobicContact CD2-CD1 4.5Å; L157-L165 HydrophobicContact CD2-CD2 4.2Å; L157-I167 HydrophobicContact CD2-CB 4.46Å; L157-I167 HydrophobicContact CD2-CG1 3.84Å; L157-I213 HydrophobicContact CD1-CD1 3.88Å; L157-I213 HydrophobicContact CD1-CG2 4.12Å
158S95.3Very high93.4Very high18 Ų1833.9 Ų33.913%0.12618%0.178CC..EExtended strand (participates in β ladder)trans-91.8140.7180-114.10000110.9M110 T112 L165 K166 L168M110-S158 VanDerWaalsContact CB-CB 3.48Å; T112-S158 VanDerWaalsContact O-CA 3.31Å; T112-S158 WeakPolarHBondContact O-CA 3.36Å; T112-S158 PolarHBondContact O-OG 3.47Å; S158-L165 CarbonylContact O-C 3.55Å; S158-L165 VanDerWaalsContact O-CA 3.25Å; S158-L165 WeakPolarHBondContact O-CA 3.25Å; S158-K166 PolarHBondContact N-O 2.79Å; S158-K166 PolarHBondContact O-N 2.92Å; S158-L168 WeakPolarHBondContact OG-CD1 3.33Å
159V96.3Very high92.9Very high2 Ų235.3 Ų35.31%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-138.1131.5-174.6-173.40000110M110 T112 L114 L117 L131 E164 L165M110-V159 CarbonylContact O-C 3.58Å; T112-V159 VanDerWaalsContact CG2-O 3.31Å; T112-V159 WeakPolarHBondContact CG2-O 3.42Å; T112-V159 PolarHBondContact N-O 3.04Å; T112-V159 PolarHBondContact O-N 2.94Å; L114-V159 HydrophobicContact CB-CG2 4.35Å; L117-V159 HydrophobicContact CD2-CG1 4.34Å; L131-V159 HydrophobicContact CD2-CG1 4.04Å; L131-V159 HydrophobicContact CD2-CG2 4.07Å; V159-E164 VanDerWaalsContact CA-O 3.3Å; V159-E164 WeakPolarHBondContact CA-O 3.47Å; V159-L165 HydrophobicContact CG2-CB 4.39Å; V159-L165 HydrophobicContact CG2-CD1 4.1Å; V159-L165 HydrophobicContact CG2-CG 4.34Å
160N93.8Very high91.8Very high32 Ų3235.3 Ų35.317%0.17119%0.186CC..  trans-94.6-176.1176.870.85.4000113M110 D162 C163 E164M110-N160 HydrophobicContact CE-CB 4.19Å; M110-N160 WeakPolarHBondContact O-CA 3.33Å; M110-N160 WeakPolarHBondContact O-CB 3.28Å; M110-N160 PolarHBondContact O-N 3.48Å; N160-D162 PolarHBondContact O-N 2.53Å; N160-D162 PolarHBondContact OD1-N 3.14Å; N160-C163 PolarHBondContact O-N 3.42Å; N160-C163 VanDerWaalsContact O-N 3.15Å; N160-C163 PolarHBondContact OD1-N 3.18Å; N160-E164 PolarHBondContact N-O 3.43Å; N160-E164 VanDerWaalsContact N-O 3.15Å; N160-E164 PolarHBondContact ND2-OE2 3.26Å; N160-E164 WeakPolarHBondContact OD1-CB 3.49Å; N160-E164 PolarHBondContact OD1-N 2.72Å; N160-E164 PolarHBondContact OD1-O 3.45Å
161E89.9Confident90.5Very high193 Ų19334.6 Ų34.690%0.90219%0.185SC*.THydrogen-bonded Turntrans-64.4-29.7-177-65.3175.8-170.500112.2C163E161-C163 PolarHBondContact O-N 3.36Å
162D91.7Very high89.4Confident126 Ų12635.8 Ų35.867%0.67419%0.191SC*.THydrogen-bonded Turntrans-84.77.9177.6-53.8-56.8000113.2N160 E164N160-D162 PolarHBondContact O-N 2.53Å; N160-D162 PolarHBondContact OD1-N 3.14Å; D162-E164 HydrophobicContact CB-CG 4.26Å; D162-E164 PolarHBondContact O-N 3.34Å
163C92.9Very high87.7Confident24 Ų2435.7 Ų35.716%0.16219%0.191CC..  trans61.121-175.1-62.40000115R127 F130 Q134 N160 E161R127-C163 PolarHBondContact NE-SG 2.84Å; R127-C163 PolarHBondContact NH2-SG 3.32Å; R127-C163 VanDerWaalsContact NH2-SG 3.38Å; F130-C163 HydrophobicContact CD1-CB 4.26Å; F130-C163 HydrophobicContact CE1-CB 4.28Å; Q134-C163 PolarHBondContact NE2-O 3.4Å; N160-C163 PolarHBondContact O-N 3.42Å; N160-C163 VanDerWaalsContact O-N 3.15Å; N160-C163 PolarHBondContact OD1-N 3.18Å; E161-C163 PolarHBondContact O-N 3.36Å
164E95.8Very high86.2Confident102 Ų10235.8 Ų35.848%0.47719%0.19SC..  trans-73134.7168.2-54.8178.2144.800109.6M110 V159 N160 D162M110-E164 HydrophobicContact CE-CB 4.35Å; M110-E164 WeakPolarHBondContact CE-O 3.21Å; V159-E164 VanDerWaalsContact CA-O 3.3Å; V159-E164 WeakPolarHBondContact CA-O 3.47Å; N160-E164 PolarHBondContact N-O 3.43Å; N160-E164 VanDerWaalsContact N-O 3.15Å; N160-E164 PolarHBondContact ND2-OE2 3.26Å; N160-E164 WeakPolarHBondContact OD1-CB 3.49Å; N160-E164 PolarHBondContact OD1-N 2.72Å; N160-E164 PolarHBondContact OD1-O 3.45Å; D162-E164 HydrophobicContact CB-CG 4.26Å; D162-E164 PolarHBondContact O-N 3.34Å
165L97.9Very high84.3Confident0 Ų039.2 Ų39.20%021%0.206CC..EExtended strand (participates in β ladder)trans-114138.9-175.3179.3148.9000111.1N83 L131 Q134 I135 L157 S158 V159 I167N83-L165 VanDerWaalsContact CA-O 3.24Å; N83-L165 WeakPolarHBondContact CA-O 3.36Å; N83-L165 PolarHBondContact ND2-O 3.23Å; L131-L165 HydrophobicContact CD2-CB 4.26Å; L131-L165 HydrophobicContact CD2-CD1 4.02Å; Q134-L165 HydrophobicContact CB-CB 4.06Å; Q134-L165 HydrophobicContact CB-CD2 4.4Å; I135-L165 HydrophobicContact CD1-CD1 3.97Å; I135-L165 HydrophobicContact CG1-CD1 3.57Å; I135-L165 HydrophobicContact CG1-CD2 3.77Å; I135-L165 HydrophobicContact CG1-CG 4.35Å; L157-L165 HydrophobicContact CB-CD1 4.18Å; L157-L165 HydrophobicContact CD2-CD1 4.5Å; L157-L165 HydrophobicContact CD2-CD2 4.2Å; S158-L165 CarbonylContact O-C 3.55Å; S158-L165 VanDerWaalsContact O-CA 3.25Å; S158-L165 WeakPolarHBondContact O-CA 3.25Å; V159-L165 HydrophobicContact CG2-CB 4.39Å; V159-L165 HydrophobicContact CG2-CD1 4.1Å; V159-L165 HydrophobicContact CG2-CG 4.34Å; L165-I167 HydrophobicContact CD2-CG1 4.23Å
166K98Very high82.4Confident36 Ų3640.8 Ų40.816%0.15721%0.208CC..EExtended strand (participates in β ladder)trans-127.4130.2167-66.4-173.8-166-69.40111.5E82 I85 P108 M110 S158E82-K166 WeakPolarHBondContact O-CG 3.46Å; E82-K166 PolarHBondContact O-NZ 3.25Å; I85-K166 HydrophobicContact CD1-CB 4.39Å; I85-K166 HydrophobicContact CD1-CD 3.85Å; P108-K166 HydrophobicContact CB-CD 4.46Å; M110-K166 HydrophobicContact CE-CB 4.31Å; M110-K166 HydrophobicContact CE-CD 4.24Å; M110-K166 HydrophobicContact CE-CG 3.87Å; M110-K166 HydrophobicContact CG-CB 4.38Å; M110-K166 HydrophobicContact CG-CD 4.24Å; M110-K166 HydrophobicContact CG-CG 4.48Å; M110-K166 HydrophobicContact SD-CB 4.38Å; M110-K166 HydrophobicContact SD-CD 3.56Å; M110-K166 VanDerWaalsContact SD-CD 3.56Å; M110-K166 VanDerWaalsContact SD-CE 3.53Å; M110-K166 HydrophobicContact SD-CG 3.87Å; S158-K166 PolarHBondContact N-O 2.79Å; S158-K166 PolarHBondContact O-N 2.92Å
167I97.6Very high80.4Confident0 Ų044.4 Ų44.40%023%0.227CC..EExtended strand (participates in β ladder)trans-70.5130.8170.5-60.1170.1000109.1N83 I85 L139 I142 L152 L157 L165N83-I167 WeakPolarHBondContact O-CG1 3.31Å; N83-I167 PolarHBondContact O-N 2.71Å; I85-I167 WeakPolarHBondContact CB-O 3.26Å; I85-I167 VanDerWaalsContact CG2-O 3.28Å; I85-I167 WeakPolarHBondContact CG2-O 3.5Å; I85-I167 PolarHBondContact N-O 3.34Å; L139-I167 HydrophobicContact CD2-CD1 4.42Å; L139-I167 HydrophobicContact CG-CD1 4.2Å; I142-I167 HydrophobicContact CD1-CB 4.47Å; I142-I167 HydrophobicContact CD1-CD1 3.92Å; I142-I167 HydrophobicContact CD1-CG2 4.16Å; L152-I167 HydrophobicContact CD2-CG2 3.97Å; L157-I167 HydrophobicContact CD2-CB 4.46Å; L157-I167 HydrophobicContact CD2-CG1 3.84Å; L165-I167 HydrophobicContact CD2-CG1 4.23Å
168L91.5Very high77.9Confident38 Ų3847.7 Ų47.720%0.19925%0.247CC..  trans-113.9167.8-176.6-52.2-174.4000112.8I85 H149 N156 S158I85-L168 HydrophobicContact CB-CD2 3.72Å; I85-L168 HydrophobicContact CD1-CD2 3.97Å; I85-L168 HydrophobicContact CG1-CD2 3.87Å; I85-L168 HydrophobicContact CG2-CD2 4.06Å; H149-L168 PolarHBondContact NE2-O 3.32Å; N156-L168 WeakPolarHBondContact O-CB 3.48Å; N156-L168 PolarHBondContact O-N 2.79Å; S158-L168 WeakPolarHBondContact OG-CD1 3.33Å
169D79.9Confident75.4Confident36 Ų3653.7 Ų53.719%0.19327%0.274CS..  trans60.877.7164.5-162.74.8000116.4G171D169-G171 PolarHBondContact O-N 3.14Å; D169-G171 PolarHBondContact OD1-N 2.92Å
170F69.8Low72.9Confident1 Ų156.7 Ų56.70%0.00429%0.288CS..G310 helixtrans-80.28.4170.1-65.3-77.6000114.2L75 L76 M79 V84 I85 I142 L172 A173L75-F170 HydrophobicContact CB-CB 4.06Å; L75-F170 HydrophobicContact CB-CG 4.32Å; L75-F170 HydrophobicContact CD1-CB 3.71Å; L75-F170 HydrophobicContact CD1-CG 4.44Å; L76-F170 HydrophobicContact CD2-CD2 4.3Å; M79-F170 HydrophobicContact CE-CE1 4.49Å; M79-F170 HydrophobicContact CG-CE2 4.15Å; M79-F170 HydrophobicContact CG-CZ 4.07Å; V84-F170 HydrophobicContact CG1-CE2 3.66Å; V84-F170 HydrophobicContact CG1-CZ 3.37Å; I85-F170 HydrophobicContact CG2-CE2 4.13Å; I142-F170 HydrophobicContact CD1-CE1 3.79Å; I142-F170 HydrophobicContact CD1-CZ 3.82Å; I142-F170 HydrophobicContact CG1-CE1 4.06Å; I142-F170 HydrophobicContact CG1-CZ 4.16Å; I142-F170 HydrophobicContact CG2-CE1 4.32Å; F170-L172 PolarHBondContact O-N 3.22Å; F170-A173 HydrophobicContact CB-CB 4.09Å; F170-A173 HydrophobicContact CD1-CB 3.99Å; F170-A173 VanDerWaalsContact O-CB 3.31Å; F170-A173 WeakPolarHBondContact O-CB 3.32Å; F170-A173 PolarHBondContact O-N 3.15Å
171G59.5Low70.4Confident6 Ų659.3 Ų59.36%0.06231%0.306CS..G310 helixtrans-58.7-26.5-173.900000113.6R71 D169R71-G171 PolarHBondContact NH2-O 3.36Å; D169-G171 PolarHBondContact O-N 3.14Å; D169-G171 PolarHBondContact OD1-N 2.92Å
172L62.8Low67.8Low38 Ų3853.1 Ų53.120%0.19929%0.294CS..G310 helixtrans-103.7-4.7176.4-62.1-179.6000114.3D151 F170D151-L172 HydrophobicContact CB-CD1 3.99Å; F170-L172 PolarHBondContact O-N 3.22Å
173A58Low65.4Low1 Ų156.8 Ų56.81%0.00830%0.299CS..  trans-62139-179.300000111.2R71 L75 I147 I148 F170R71-A173 PolarHBondContact NE-O 3.44Å; R71-A173 VanDerWaalsContact NE-O 3.08Å; R71-A173 PolarHBondContact NH1-O 3.11Å; R71-A173 PolarHBondContact NH2-O 3.03Å; L75-A173 HydrophobicContact CD1-CB 3.92Å; I147-A173 HydrophobicContact CG2-CB 3.92Å; I148-A173 VanDerWaalsContact O-CA 3.27Å; I148-A173 WeakPolarHBondContact O-CA 3.42Å; I148-A173 WeakPolarHBondContact O-CB 3.34Å; F170-A173 HydrophobicContact CB-CB 4.09Å; F170-A173 HydrophobicContact CD1-CB 3.99Å; F170-A173 VanDerWaalsContact O-CB 3.31Å; F170-A173 WeakPolarHBondContact O-CB 3.32Å; F170-A173 PolarHBondContact O-N 3.15Å
174R63.3Low63Low45 Ų4561.8 Ų61.817%0.1733%0.329CS..BIsolated β-bridgetrans-152.5158-176.1-67.7-173.6-172.6172.4-8.4110R71 I148 T178 E179R71-R174 VanDerWaalsContact NH1-CG 3.3Å; I148-R174 PolarHBondContact N-O 2.97Å; I148-R174 PolarHBondContact O-N 3.15Å; R174-T178 VanDerWaalsContact CD-OG1 3.25Å; R174-T178 WeakPolarHBondContact CD-OG1 3.44Å; R174-T178 PolarHBondContact NH1-O 3.39Å; R174-E179 PolarHBondContact NH1-O 3.34Å
175Q54.6Low61.3Low76 Ų7660 Ų6036%0.35533%0.325SS..SBendtrans-61.4165.7158.3-164.3175.15.700109.8R150 N330R150-Q175 PolarHBondContact NH2-O 3.11Å; Q175-N330 PolarHBondContact OE1-ND2 3.11Å
176T52Low59.8Low70 Ų7063.3 Ų63.343%0.42935%0.345SS..SBendtrans-47.5150.8171.949.20000112.3I148I148-T176 HydrophobicContact CD1-CG2 3.89Å
177D50.8Low59Low89 Ų8964.3 Ų64.348%0.47635%0.348SS..  trans71.355.5170-68.6-29.5000120.1H200D177-H200 IonicContact OD1-CE1 3.7Å; D177-H200 IonicContact OD1-CG 3.05Å; D177-H200 IonicContact OD1-ND1 2.75Å; D177-H200 PolarHBondContact OD1-ND1 2.65Å; D177-H200 IonicContact OD2-ND1 2.82Å
178T44Very low58.8Low68 Ų6867.5 Ų67.542%0.41736%0.36SS..  trans-144.8124.7158.517.80000111.9R150 R174 Y201R150-T178 PolarHBondContact NH1-O 3.14Å; R174-T178 VanDerWaalsContact CD-OG1 3.25Å; R174-T178 WeakPolarHBondContact CD-OG1 3.44Å; R174-T178 PolarHBondContact NH1-O 3.39Å; T178-Y201 PolarHBondContact N-OH 3.38Å; T178-Y201 PolarHBondContact O-OH 3.25Å
179E43.7Very low58.9Low145 Ų14566.7 Ų66.768%0.67835%0.354SS*.PPolyproline II helixtrans-46.1143.8-174.4-67.6-175.7154.800113.9R174R174-E179 PolarHBondContact NH1-O 3.34Å
180M43.1Very low59.5Low64 Ų6465.9 Ų65.932%0.31535%0.349SS..PPolyproline II helixtrans-81.1127.7167-79.5-154.466.400110.1G182 R190 V194M180-G182 PolarHBondContact O-N 3.14Å; M180-R190 VanDerWaalsContact CE-CZ 3.42Å; M180-R190 VanDerWaalsContact CE-NH1 3.31Å; M180-V194 HydrophobicContact CG-CG1 4.38Å; M180-V194 HydrophobicContact SD-CG1 3.45Å; M180-V194 WeakPolarHBondContact SD-CG1 3.42Å
181T41.1Very low60.5Low88 Ų8865.9 Ų65.954%0.5435%0.349SS..PPolyproline II helixtrans-67118.7163.751.10000108.9Y183T181-Y183 PolarHBondContact O-N 3.39Å
182G36.9Very low62Low63 Ų6365.6 Ų65.665%0.64935%0.346SS*.  trans-66.119.7-169.300000118.4M180 R187M180-G182 PolarHBondContact O-N 3.14Å; G182-R187 PolarHBondContact O-NH2 3.14Å
183Y40.3Very low63.1Low202 Ų20263.8 Ų63.879%0.79234%0.336SS*.  trans-87.2146.3-172.7-89.5-93.6000115T181 V185T181-Y183 PolarHBondContact O-N 3.39Å; Y183-V185 PolarHBondContact O-N 2.8Å
184V42.9Very low64.3Low129 Ų12964.7 Ų64.778%0.78234%0.342SS*.  trans-42.3100.2-170.8-171.40000114.9
185V60.2Low64.9Low65 Ų6563.8 Ų63.839%0.39434%0.34SS..  trans-140.2156.5163.8-175.60000107.6Y183 R187Y183-V185 PolarHBondContact O-N 2.8Å; V185-R187 WeakPolarHBondContact O-CG 3.15Å; V185-R187 PolarHBondContact O-N 3.08Å; V185-R187 PolarHBondContact O-NH1 3.33Å
186T66.2Low65.7Low70 Ų7062.3 Ų62.343%0.42933%0.334SS..  trans-49.3120.6173.1-49.90000111.2W188 Y189T186-W188 HydrophobicContact CG2-CB 4.15Å; T186-W188 HydrophobicContact CG2-CD2 3.57Å; T186-W188 HydrophobicContact CG2-CE3 3.81Å; T186-W188 HydrophobicContact CG2-CG 3.74Å; T186-W188 HydrophobicContact CG2-CZ3 4.44Å; T186-Y189 HydrophobicContact CG2-CE2 4.4Å
187R80.8Confident66.6Low56 Ų5663.2 Ų63.221%0.21134%0.336CS..  trans-99.2-2.5-176-68.6173.5178.977.4-5.4114G182 V185 Y189 R190G182-R187 PolarHBondContact O-NH2 3.14Å; V185-R187 WeakPolarHBondContact O-CG 3.15Å; V185-R187 PolarHBondContact O-N 3.08Å; V185-R187 PolarHBondContact O-NH1 3.33Å; R187-Y189 PolarHBondContact O-N 2.93Å; R187-R190 PolarHBondContact O-N 2.86Å
188W93.2Very high67.6Low68 Ų6859.1 Ų59.126%0.25831%0.314SS..THydrogen-bonded Turntrans-58-25-167.4-58.1-16.5000115T186 P222 F224 K225 G226T186-W188 HydrophobicContact CG2-CB 4.15Å; T186-W188 HydrophobicContact CG2-CD2 3.57Å; T186-W188 HydrophobicContact CG2-CE3 3.81Å; T186-W188 HydrophobicContact CG2-CG 3.74Å; T186-W188 HydrophobicContact CG2-CZ3 4.44Å; W188-P222 HydrophobicContact CD2-CB 4.43Å; W188-P222 HydrophobicContact CE3-CB 3.78Å; W188-P222 HydrophobicContact CE3-CG 3.6Å; W188-P222 HydrophobicContact CZ3-CB 4.26Å; W188-P222 HydrophobicContact CZ3-CG 3.61Å; W188-F224 WeakPolarHBondContact CA-O 3.27Å; W188-F224 WeakPolarHBondContact CB-O 3.46Å; W188-F224 VanDerWaalsContact CG-O 3.31Å; W188-K225 HydrophobicContact CD2-CG 4.2Å; W188-K225 HydrophobicContact CH2-CD 4.27Å; W188-K225 HydrophobicContact CH2-CG 4.01Å; W188-K225 HydrophobicContact CZ2-CD 4.1Å; W188-K225 HydrophobicContact CZ2-CG 3.47Å; W188-K225 VanDerWaalsContact CZ2-CG 3.47Å; W188-G226 PolarHBondContact NE1-O 2.69Å
189Y94.8Very high68.5Low20 Ų2056.9 Ų56.98%0.07830%0.299CS..THydrogen-bonded Turntrans-104.8-1.6-178.2-47.5-81000113.4L152 K153 P154 T186 R187 S209 C212 I213 E216L152-Y189 VanDerWaalsContact O-CB 3.28Å; L152-Y189 WeakPolarHBondContact O-CB 3.18Å; K153-Y189 HydrophobicContact CB-CD2 3.49Å; K153-Y189 VanDerWaalsContact CB-CD2 3.49Å; K153-Y189 HydrophobicContact CB-CE2 3.92Å; K153-Y189 HydrophobicContact CB-CG 4.06Å; P154-Y189 VanDerWaalsContact CD-CE2 3.49Å; P154-Y189 HydrophobicContact CG-CE1 3.84Å; P154-Y189 HydrophobicContact CG-CE2 4.38Å; T186-Y189 HydrophobicContact CG2-CE2 4.4Å; R187-Y189 PolarHBondContact O-N 2.93Å; Y189-S209 VanDerWaalsContact O-CA 3.3Å; Y189-S209 WeakPolarHBondContact O-CA 3.46Å; Y189-S209 WeakPolarHBondContact O-CB 3.26Å; Y189-S209 PolarHBondContact O-OG 3.47Å; Y189-C212 HydrophobicContact CD1-CB 3.81Å; Y189-I213 HydrophobicContact CD1-CG1 3.68Å; Y189-I213 HydrophobicContact CE1-CG1 4.04Å; Y189-I213 HydrophobicContact CG-CG1 4.49Å; Y189-E216 WeakPolarHBondContact CE1-OE2 3.21Å; Y189-E216 PolarHBondContact OH-OE2 3.31Å
190R91.5Very high69.7Low20 Ų2055.1 Ų55.18%0.07529%0.291CS..SBendtrans-78.5140.1-178.2-66.5-174.7-177.7169.12.8110.9D151 M180 R187 I195 W208D151-R190 IonicContact OD1-NH2 2.64Å; M180-R190 VanDerWaalsContact CE-CZ 3.42Å; M180-R190 VanDerWaalsContact CE-NH1 3.31Å; R187-R190 PolarHBondContact O-N 2.86Å; R190-I195 HydrophobicContact CB-CD1 4.2Å; R190-I195 HydrophobicContact CB-CG1 3.89Å; R190-I195 WeakPolarHBondContact O-CD1 3.49Å; R190-W208 PolarHBondContact O-NE1 3.31Å
191A92Very high71.1Confident1 Ų152.7 Ų52.71%0.00828%0.278CS..  trans-63.1146.5173.200000111.6E193 V194 I195 V205 W208A191-E193 WeakPolarHBondContact CB-OE1 3.44Å; A191-E193 WeakPolarHBondContact CB-OE2 3.39Å; A191-E193 PolarHBondContact O-N 2.86Å; A191-V194 HydrophobicContact CB-CG2 4.21Å; A191-V194 WeakPolarHBondContact O-CB 3.44Å; A191-V194 PolarHBondContact O-N 3.26Å; A191-I195 PolarHBondContact O-N 3.01Å; A191-I195 VanDerWaalsContact O-N 3.12Å; A191-V205 HydrophobicContact CB-CB 4.04Å; A191-V205 HydrophobicContact CB-CG1 4.1Å; A191-W208 HydrophobicContact CB-CB 3.8Å; A191-W208 HydrophobicContact CB-CD2 4.47Å; A191-W208 HydrophobicContact CB-CG 3.79Å
192P89.8Confident73.2Confident0 Ų051.6 Ų51.60%027%0.272CS..Hα-helixtrans-58.3-35.1-176.721.9-32.4000113V194 I195 L196 W198 W208 L233 I236 L292P192-V194 VanDerWaalsContact C-N 3.32Å; P192-V194 PolarHBondContact O-N 3.34Å; P192-I195 PolarHBondContact O-N 2.75Å; P192-L196 PolarHBondContact O-N 3.14Å; P192-W198 HydrophobicContact CB-CZ2 4.34Å; P192-W208 HydrophobicContact CG-CH2 4.34Å; P192-W208 HydrophobicContact CG-CZ2 4.49Å; P192-W208 HydrophobicContact CG-CZ3 4.38Å; P192-L233 HydrophobicContact CB-CD1 4.3Å; P192-I236 HydrophobicContact CB-CD1 4.28Å; P192-L292 HydrophobicContact CG-CD2 4.04Å
193E86.5Confident75.7Confident0 Ų052.3 Ų52.30%026%0.258CS..Hα-helixtrans-68.7-27.7176.368.9-82.7-163.600114.5A191 N197 W198 V205 R297A191-E193 WeakPolarHBondContact CB-OE1 3.44Å; A191-E193 WeakPolarHBondContact CB-OE2 3.39Å; A191-E193 PolarHBondContact O-N 2.86Å; E193-N197 WeakPolarHBondContact O-CA 3.39Å; E193-N197 PolarHBondContact O-N 2.78Å; E193-W198 VanDerWaalsContact CA-CD1 3.44Å; E193-V205 HydrophobicContact CG-CG1 4.3Å; E193-V205 WeakPolarHBondContact OE1-CG1 3.27Å; E193-R297 IonicContact OE1-CZ 3.64Å; E193-R297 VanDerWaalsContact OE1-CZ 3.27Å; E193-R297 IonicContact OE1-NH1 3.33Å; E193-R297 PolarHBondContact OE1-NH1 2.88Å; E193-R297 IonicContact OE1-NH2 3.9Å; E193-R297 PolarHBondContact OE1-NH2 3.36Å; E193-R297 IonicContact OE2-CZ 2.79Å; E193-R297 IonicContact OE2-NH1 3.86Å; E193-R297 IonicContact OE2-NH2 2.92Å; E193-R297 PolarHBondContact OE2-NH2 3.07Å
194V81.7Confident78.3Confident19 Ų1943.3 Ų43.312%0.11522%0.224CC..Hα-helixtrans-76.6-34.8172.9178.60000110.6M180 A191 P192 Y201 V205M180-V194 HydrophobicContact CG-CG1 4.38Å; M180-V194 HydrophobicContact SD-CG1 3.45Å; M180-V194 WeakPolarHBondContact SD-CG1 3.42Å; A191-V194 HydrophobicContact CB-CG2 4.21Å; A191-V194 WeakPolarHBondContact O-CB 3.44Å; A191-V194 PolarHBondContact O-N 3.26Å; P192-V194 VanDerWaalsContact C-N 3.32Å; P192-V194 PolarHBondContact O-N 3.34Å; V194-Y201 HydrophobicContact CG2-CG 4.38Å; V194-V205 HydrophobicContact CG2-CB 3.99Å; V194-V205 HydrophobicContact CG2-CG1 3.49Å; V194-V205 VanDerWaalsContact CG2-CG1 3.49Å
195I77.9Confident80.8Confident27 Ų2737.3 Ų37.314%0.13819%0.188CC..Hα-helixtrans-67.8-39.5178.5-65.9164.1000111.1R190 A191 P192 H229 Q232 I236R190-I195 HydrophobicContact CB-CD1 4.2Å; R190-I195 HydrophobicContact CB-CG1 3.89Å; R190-I195 WeakPolarHBondContact O-CD1 3.49Å; A191-I195 PolarHBondContact O-N 3.01Å; A191-I195 VanDerWaalsContact O-N 3.12Å; P192-I195 PolarHBondContact O-N 2.75Å; I195-H229 HydrophobicContact CG2-CB 3.8Å; I195-Q232 HydrophobicContact CD1-CB 4.45Å; I195-Q232 HydrophobicContact CD1-CG 3.54Å; I195-I236 HydrophobicContact CD1-CD1 4.1Å
196L70.4Confident82.5Confident44 Ų4434.2 Ų34.223%0.2317%0.169CC..Hα-helixtrans-99.1-11.1-172.9-63.2176.2000114.5P192 W198 L233P192-L196 PolarHBondContact O-N 3.14Å; L196-W198 HydrophobicContact CB-CB 4.05Å; L196-W198 HydrophobicContact CB-CD2 3.92Å; L196-W198 HydrophobicContact CB-CE3 4.24Å; L196-W198 HydrophobicContact CB-CG 3.85Å; L196-W198 HydrophobicContact CD1-CD2 3.64Å; L196-W198 HydrophobicContact CD1-CE3 3.32Å; L196-W198 HydrophobicContact CD1-CG 4.45Å; L196-W198 HydrophobicContact CD1-CH2 3.68Å; L196-W198 HydrophobicContact CD1-CZ2 4Å; L196-W198 HydrophobicContact CD1-CZ3 3.34Å; L196-W198 HydrophobicContact CG-CD2 4.45Å; L196-W198 HydrophobicContact CG-CE3 4.44Å; L196-W198 PolarHBondContact O-N 3.05Å; L196-W198 VanDerWaalsContact O-N 3.11Å; L196-L233 HydrophobicContact CD1-CD1 3.75Å; L196-L233 HydrophobicContact CD1-CD2 3.78Å; L196-L233 HydrophobicContact CD1-CG 4.34Å; L196-L233 HydrophobicContact CD2-CD2 4.21Å
197N71.9Confident84Confident89 Ų8930.9 Ų30.948%0.47615%0.149SC..THydrogen-bonded Turntrans49.734.1-174.2-159.847000112.7E193E193-N197 WeakPolarHBondContact O-CA 3.39Å; E193-N197 PolarHBondContact O-N 2.78Å
198W69.9Low84.9Confident3 Ų328.2 Ų28.21%0.01114%0.139CC..  trans-93-7-167.664.30.9000114.5P192 E193 L196 F247 L251 Q252 A256 I260P192-W198 HydrophobicContact CB-CZ2 4.34Å; E193-W198 VanDerWaalsContact CA-CD1 3.44Å; L196-W198 HydrophobicContact CB-CB 4.05Å; L196-W198 HydrophobicContact CB-CD2 3.92Å; L196-W198 HydrophobicContact CB-CE3 4.24Å; L196-W198 HydrophobicContact CB-CG 3.85Å; L196-W198 HydrophobicContact CD1-CD2 3.64Å; L196-W198 HydrophobicContact CD1-CE3 3.32Å; L196-W198 HydrophobicContact CD1-CG 4.45Å; L196-W198 HydrophobicContact CD1-CH2 3.68Å; L196-W198 HydrophobicContact CD1-CZ2 4Å; L196-W198 HydrophobicContact CD1-CZ3 3.34Å; L196-W198 HydrophobicContact CG-CD2 4.45Å; L196-W198 HydrophobicContact CG-CE3 4.44Å; L196-W198 PolarHBondContact O-N 3.05Å; L196-W198 VanDerWaalsContact O-N 3.11Å; W198-F247 AromaticContact CH2-CE1 3.79Å; W198-F247 HydrophobicContact CH2-CE1 3.79Å; W198-F247 HydrophobicContact CH2-CZ 4.42Å; W198-F247 AromaticContact CZ2-CE1 3.66Å; W198-F247 HydrophobicContact CZ2-CE1 3.66Å; W198-F247 AromaticContact CZ2-CZ 3.83Å; W198-F247 HydrophobicContact CZ2-CZ 3.83Å; W198-L251 HydrophobicContact CB-CD2 4.38Å; W198-L251 HydrophobicContact CD2-CD1 4.4Å; W198-L251 HydrophobicContact CD2-CD2 3.31Å; W198-L251 HydrophobicContact CD2-CG 4.43Å; W198-L251 HydrophobicContact CE3-CD1 3.64Å; W198-L251 HydrophobicContact CE3-CD2 3.42Å; W198-L251 VanDerWaalsContact CE3-CD2 3.42Å; W198-L251 HydrophobicContact CE3-CG 4.14Å; W198-L251 HydrophobicContact CG-CD2 3.75Å; W198-L251 HydrophobicContact CH2-CD2 4.24Å; W198-L251 HydrophobicContact CZ2-CD2 4.12Å; W198-L251 HydrophobicContact CZ3-CD1 3.82Å; W198-L251 HydrophobicContact CZ3-CD2 3.89Å; W198-Q252 WeakPolarHBondContact O-CB 3.32Å; W198-Q252 PolarHBondContact O-N 3.28Å; W198-A256 HydrophobicContact CB-CB 4.09Å; W198-A256 HydrophobicContact CE3-CB 4.08Å; W198-I260 HydrophobicContact CH2-CD1 4.41Å; W198-I260 HydrophobicContact CZ3-CD1 3.88Å; W198-I260 HydrophobicContact CZ3-CG1 3.73Å
199M64.5Low85.1Confident21 Ų2125.2 Ų25.210%0.10313%0.128CC..SBendtrans-155.4154.9-178.4-64.8-174.174.500109.6Y201 F247 K250 L251M199-Y201 PolarHBondContact O-N 2.9Å; M199-F247 HydrophobicContact SD-CE2 4.2Å; M199-F247 HydrophobicContact SD-CZ 4.27Å; M199-K250 HydrophobicContact CE-CB 3.59Å; M199-K250 WeakPolarHBondContact CE-O 3.49Å; M199-K250 HydrophobicContact SD-CB 4.29Å; M199-L251 HydrophobicContact CG-CD2 4.02Å; M199-L251 HydrophobicContact SD-CD2 3.83Å
200H68.8Low85.3Confident108 Ų10824.2 Ų24.250%0.512%0.124SC..  trans-56.8132.2162.9-62-68.2000109.3D177 Q252D177-H200 IonicContact OD1-CE1 3.7Å; D177-H200 IonicContact OD1-CG 3.05Å; D177-H200 IonicContact OD1-ND1 2.75Å; D177-H200 PolarHBondContact OD1-ND1 2.65Å; D177-H200 IonicContact OD2-ND1 2.82Å; H200-Q252 PolarHBondContact CD2-NE2 3.23Å; H200-Q252 PolarHBondContact NE2-NE2 3.23Å
201Y72.9Confident85.6Confident13 Ų1323.3 Ų23.35%0.05112%0.121CC..  trans-108.5145.2-178.853.7-97.2000110.2R150 T178 V194 M199 V205R150-Y201 VanDerWaalsContact CZ-CZ 3.49Å; R150-Y201 PolarHBondContact NH1-OH 2.93Å; R150-Y201 PolarHBondContact NH2-OH 2.97Å; T178-Y201 PolarHBondContact N-OH 3.38Å; T178-Y201 PolarHBondContact O-OH 3.25Å; V194-Y201 HydrophobicContact CG2-CG 4.38Å; M199-Y201 PolarHBondContact O-N 2.9Å; Y201-V205 HydrophobicContact CD2-CG1 4.39Å; Y201-V205 HydrophobicContact CG-CG1 4.29Å
202T83.7Confident85.9Confident66 Ų6623.3 Ų23.341%0.40512%0.121SC..  trans-111.5-171.3-178.268.60000110T204 V205T202-T204 PolarHBondContact O-N 3.35Å; T202-T204 VanDerWaalsContact O-N 3.11Å; T202-T204 PolarHBondContact OG1-N 3.43Å; T202-T204 PolarHBondContact OG1-OG1 3.17Å; T202-T204 VanDerWaalsContact OG1-OG1 3.11Å; T202-V205 WeakPolarHBondContact O-CG1 3.32Å; T202-V205 WeakPolarHBondContact O-CG2 3.43Å; T202-V205 PolarHBondContact O-N 2.74Å
203Q90.8Very high86.3Confident77 Ų7723.3 Ų23.336%0.3612%0.121SC..THydrogen-bonded Turntrans-58.3-18.5174.370-165.710.100114.2H143 I148 V205 D206H143-Q203 HydrophobicContact CB-CB 4.49Å; H143-Q203 PolarHBondContact CE1-O 2.86Å; H143-Q203 VanDerWaalsContact CE1-O 3.22Å; I148-Q203 HydrophobicContact CG1-CB 4.35Å; Q203-V205 PolarHBondContact O-N 2.83Å; Q203-V205 VanDerWaalsContact O-N 3.14Å; Q203-D206 PolarHBondContact O-N 3.25Å; Q203-D206 VanDerWaalsContact O-N 3.15Å
204T94.5Very high86.9Confident13 Ų1323.3 Ų23.38%0.0812%0.121CC..Hα-helixtrans-71.6-4.3-179.666.20000114.2T202 D206 I207 W208 P294 R297T202-T204 PolarHBondContact O-N 3.35Å; T202-T204 VanDerWaalsContact O-N 3.11Å; T202-T204 PolarHBondContact OG1-N 3.43Å; T202-T204 PolarHBondContact OG1-OG1 3.17Å; T202-T204 VanDerWaalsContact OG1-OG1 3.11Å; T204-D206 VanDerWaalsContact C-N 3.28Å; T204-I207 PolarHBondContact O-N 3.31Å; T204-W208 PolarHBondContact O-N 3.25Å; T204-P294 PolarHBondContact OG1-O 2.99Å; T204-R297 HydrophobicContact CG2-CB 4.34Å; T204-R297 PolarHBondContact O-NH1 2.66Å
205V94.5Very high87.7Confident4 Ų422.4 Ų22.42%0.02412%0.115CC..Hα-helixtrans-63.9-36.1167.1-60.90000111.8I148 A191 E193 V194 Y201 T202 Q203 I207 W208 S209I148-V205 HydrophobicContact CG2-CG2 3.51Å; A191-V205 HydrophobicContact CB-CB 4.04Å; A191-V205 HydrophobicContact CB-CG1 4.1Å; E193-V205 HydrophobicContact CG-CG1 4.3Å; E193-V205 WeakPolarHBondContact OE1-CG1 3.27Å; V194-V205 HydrophobicContact CG2-CB 3.99Å; V194-V205 HydrophobicContact CG2-CG1 3.49Å; V194-V205 VanDerWaalsContact CG2-CG1 3.49Å; Y201-V205 HydrophobicContact CD2-CG1 4.39Å; Y201-V205 HydrophobicContact CG-CG1 4.29Å; T202-V205 WeakPolarHBondContact O-CG1 3.32Å; T202-V205 WeakPolarHBondContact O-CG2 3.43Å; T202-V205 PolarHBondContact O-N 2.74Å; Q203-V205 PolarHBondContact O-N 2.83Å; Q203-V205 VanDerWaalsContact O-N 3.14Å; V205-I207 VanDerWaalsContact C-N 3.32Å; V205-W208 WeakPolarHBondContact O-CB 3.49Å; V205-W208 PolarHBondContact O-N 3.03Å; V205-S209 PolarHBondContact O-N 2.97Å; V205-S209 PolarHBondContact O-OG 2.81Å
206D96.3Very high88.7Confident0 Ų022.2 Ų22.20%011%0.114CC..Hα-helixtrans-70.9-34.7179.3-67.2-29.5000110L139 H143 I148 H149 R150 L152 Q203 T204 W208 S209 V210L139-D206 HydrophobicContact CD1-CB 3.99Å; L139-D206 HydrophobicContact CD2-CB 3.95Å; H143-D206 IonicContact CD2-OD2 3.46Å; H143-D206 IonicContact CE1-OD2 3.48Å; H143-D206 IonicContact NE2-OD2 2.77Å; H143-D206 PolarHBondContact NE2-OD2 2.95Å; I148-D206 WeakPolarHBondContact CG2-OD2 3.41Å; H149-D206 PolarHBondContact N-OD2 3.02Å; R150-D206 PolarHBondContact N-OD1 3.09Å; L152-D206 HydrophobicContact CD1-CB 4.11Å; Q203-D206 PolarHBondContact O-N 3.25Å; Q203-D206 VanDerWaalsContact O-N 3.15Å; T204-D206 VanDerWaalsContact C-N 3.28Å; D206-W208 VanDerWaalsContact C-N 3.34Å; D206-W208 PolarHBondContact O-N 2.86Å; D206-S209 WeakPolarHBondContact O-CA 3.3Å; D206-S209 VanDerWaalsContact O-CB 3.3Å; D206-S209 WeakPolarHBondContact O-CB 3.45Å; D206-S209 PolarHBondContact O-N 2.88Å; D206-S209 VanDerWaalsContact O-N 3.09Å; D206-V210 WeakPolarHBondContact O-CG2 3.25Å; D206-V210 PolarHBondContact O-N 2.88Å
207I98.4Very high90Very high0 Ų020.3 Ų20.30%010%0.104CC..Hα-helixtrans-64.1-39176-57-61.5000111.7L136 L139 T204 V205 S209 V210 G211 M289 V298 A300L136-I207 HydrophobicContact CD2-CD1 4.1Å; L139-I207 HydrophobicContact CD1-CD1 4.34Å; T204-I207 PolarHBondContact O-N 3.31Å; V205-I207 VanDerWaalsContact C-N 3.32Å; I207-S209 VanDerWaalsContact C-N 3.31Å; I207-S209 PolarHBondContact O-N 3.29Å; I207-V210 PolarHBondContact O-N 2.97Å; I207-G211 PolarHBondContact O-N 3.4Å; I207-M289 HydrophobicContact CG2-CB 3.97Å; I207-M289 HydrophobicContact CG2-CG 3.67Å; I207-V298 WeakPolarHBondContact CG1-O 3.47Å; I207-V298 HydrophobicContact CG2-CG2 4.18Å; I207-V298 WeakPolarHBondContact CG2-O 3.47Å; I207-A300 HydrophobicContact CD1-CB 4.05Å
208W97.9Very high91.3Very high0 Ų018.1 Ų18.10%09%0.092CC..Hα-helixtrans-58.8-45.8170.7177.2-81.3000111.3R190 A191 P192 T204 V205 D206 V210 G211 C212 F224 I236 T240 L290R190-W208 PolarHBondContact O-NE1 3.31Å; A191-W208 HydrophobicContact CB-CB 3.8Å; A191-W208 HydrophobicContact CB-CD2 4.47Å; A191-W208 HydrophobicContact CB-CG 3.79Å; P192-W208 HydrophobicContact CG-CH2 4.34Å; P192-W208 HydrophobicContact CG-CZ2 4.49Å; P192-W208 HydrophobicContact CG-CZ3 4.38Å; T204-W208 PolarHBondContact O-N 3.25Å; V205-W208 WeakPolarHBondContact O-CB 3.49Å; V205-W208 PolarHBondContact O-N 3.03Å; D206-W208 VanDerWaalsContact C-N 3.34Å; D206-W208 PolarHBondContact O-N 2.86Å; W208-V210 VanDerWaalsContact C-N 3.32Å; W208-V210 PolarHBondContact O-N 3.19Å; W208-G211 PolarHBondContact O-N 2.99Å; W208-G211 VanDerWaalsContact O-N 3.15Å; W208-C212 PolarHBondContact NE1-SG 3.39Å; W208-C212 VanDerWaalsContact NE1-SG 3.4Å; W208-C212 PolarHBondContact O-N 3.39Å; W208-C212 PolarHBondContact O-SG 2.73Å; W208-F224 HydrophobicContact CH2-CE2 4.27Å; W208-F224 HydrophobicContact CH2-CZ 4.4Å; W208-F224 HydrophobicContact CZ2-CD2 4.23Å; W208-F224 AromaticContact CZ2-CE2 3.58Å; W208-F224 HydrophobicContact CZ2-CE2 3.58Å; W208-F224 HydrophobicContact CZ2-CZ 4.1Å; W208-I236 HydrophobicContact CH2-CG2 3.59Å; W208-I236 HydrophobicContact CZ2-CD1 3.88Å; W208-I236 HydrophobicContact CZ2-CG1 3.95Å; W208-I236 HydrophobicContact CZ2-CG2 3.78Å; W208-T240 HydrophobicContact CH2-CG2 4Å; W208-T240 HydrophobicContact CZ3-CG2 4.48Å; W208-L290 HydrophobicContact CD2-CD2 4.29Å; W208-L290 HydrophobicContact CE3-CD2 4.32Å; W208-L290 HydrophobicContact CZ3-CB 4.46Å; W208-L290 HydrophobicContact CZ3-CD2 4.45Å
209S97.8Very high92.5Very high4 Ų419.9 Ų19.93%0.02810%0.101CC..Hα-helixtrans-59.3-42.4176.6-57.10000111.8Y189 V205 D206 I207 G211 C212 I213Y189-S209 VanDerWaalsContact O-CA 3.3Å; Y189-S209 WeakPolarHBondContact O-CA 3.46Å; Y189-S209 WeakPolarHBondContact O-CB 3.26Å; Y189-S209 PolarHBondContact O-OG 3.47Å; V205-S209 PolarHBondContact O-N 2.97Å; V205-S209 PolarHBondContact O-OG 2.81Å; D206-S209 WeakPolarHBondContact O-CA 3.3Å; D206-S209 VanDerWaalsContact O-CB 3.3Å; D206-S209 WeakPolarHBondContact O-CB 3.45Å; D206-S209 PolarHBondContact O-N 2.88Å; D206-S209 VanDerWaalsContact O-N 3.09Å; I207-S209 VanDerWaalsContact C-N 3.31Å; I207-S209 PolarHBondContact O-N 3.29Å; S209-G211 PolarHBondContact O-N 2.99Å; S209-C212 PolarHBondContact O-N 3.12Å; S209-I213 WeakPolarHBondContact O-CD1 3.31Å; S209-I213 WeakPolarHBondContact O-CG1 3.41Å; S209-I213 PolarHBondContact O-N 3.33Å
210V98.7Very high94Very high0 Ų020.1 Ų20.10%011%0.109CC..Hα-helixtrans-60-44.8174.1179.60000111.1V132 I135 L136 L139 L152 D206 I207 W208 C212 I213 M214 M289V132-V210 HydrophobicContact CG1-CG1 3.96Å; I135-V210 HydrophobicContact CG2-CG1 4.42Å; I135-V210 HydrophobicContact CG2-CG2 3.59Å; L136-V210 HydrophobicContact CD2-CG1 4.18Å; L136-V210 HydrophobicContact CG-CG1 4.48Å; L139-V210 HydrophobicContact CD1-CG2 3.49Å; L139-V210 VanDerWaalsContact CD1-CG2 3.49Å; L152-V210 HydrophobicContact CD1-CG2 4.07Å; D206-V210 WeakPolarHBondContact O-CG2 3.25Å; D206-V210 PolarHBondContact O-N 2.88Å; I207-V210 PolarHBondContact O-N 2.97Å; W208-V210 VanDerWaalsContact C-N 3.32Å; W208-V210 PolarHBondContact O-N 3.19Å; V210-C212 VanDerWaalsContact C-N 3.34Å; V210-C212 PolarHBondContact O-N 3.45Å; V210-I213 PolarHBondContact O-N 3.45Å; V210-I213 VanDerWaalsContact O-N 3.15Å; V210-M214 WeakPolarHBondContact O-CB 3.21Å; V210-M214 PolarHBondContact O-N 2.9Å; V210-M289 HydrophobicContact CB-SD 4.28Å; V210-M289 HydrophobicContact CG1-CE 3.98Å; V210-M289 HydrophobicContact CG1-SD 3.93Å
211G98.7Very high95.2Very high0 Ų021.5 Ų21.50%011%0.113CC..Hα-helixtrans-57.6-43.8175.300000112.8I207 W208 S209 A215 L286I207-G211 PolarHBondContact O-N 3.4Å; W208-G211 PolarHBondContact O-N 2.99Å; W208-G211 VanDerWaalsContact O-N 3.15Å; S209-G211 PolarHBondContact O-N 2.99Å; G211-A215 VanDerWaalsContact O-CB 3.26Å; G211-A215 WeakPolarHBondContact O-CB 3.25Å; G211-A215 PolarHBondContact O-N 2.81Å; G211-L286 VanDerWaalsContact O-CD2 3.27Å; G211-L286 WeakPolarHBondContact O-CD2 3.49Å
212C98.6Very high96.3Very high2 Ų222.6 Ų22.61%0.01412%0.122CC..Hα-helixtrans-63.4-41175-68.40000112.7Y189 W208 S209 V210 E216 F224Y189-C212 HydrophobicContact CD1-CB 3.81Å; W208-C212 PolarHBondContact NE1-SG 3.39Å; W208-C212 VanDerWaalsContact NE1-SG 3.4Å; W208-C212 PolarHBondContact O-N 3.39Å; W208-C212 PolarHBondContact O-SG 2.73Å; S209-C212 PolarHBondContact O-N 3.12Å; V210-C212 VanDerWaalsContact C-N 3.34Å; V210-C212 PolarHBondContact O-N 3.45Å; C212-E216 WeakPolarHBondContact O-CB 3.48Å; C212-E216 PolarHBondContact O-N 2.82Å; C212-F224 VanDerWaalsContact SG-CD2 3.54Å
213I98.6Very high97Very high0 Ų020.4 Ų20.40%011%0.107CC..Hα-helixtrans-68.8-46.5-179.8-67.3164.5000110.2L114 L152 P154 L157 Y189 S209 V210 A215 E216 M217L114-I213 HydrophobicContact CD2-CG2 3.66Å; L152-I213 HydrophobicContact CB-CD1 4.49Å; P154-I213 HydrophobicContact CG-CG1 4.23Å; L157-I213 HydrophobicContact CD1-CD1 3.88Å; L157-I213 HydrophobicContact CD1-CG2 4.12Å; Y189-I213 HydrophobicContact CD1-CG1 3.68Å; Y189-I213 HydrophobicContact CE1-CG1 4.04Å; Y189-I213 HydrophobicContact CG-CG1 4.49Å; S209-I213 WeakPolarHBondContact O-CD1 3.31Å; S209-I213 WeakPolarHBondContact O-CG1 3.41Å; S209-I213 PolarHBondContact O-N 3.33Å; V210-I213 PolarHBondContact O-N 3.45Å; V210-I213 VanDerWaalsContact O-N 3.15Å; I213-A215 VanDerWaalsContact C-N 3.34Å; I213-A215 PolarHBondContact O-N 3.18Å; I213-E216 PolarHBondContact O-N 2.62Å; I213-M217 HydrophobicContact CG2-CE 3.6Å; I213-M217 WeakPolarHBondContact O-CG 3.45Å; I213-M217 PolarHBondContact O-N 3.48Å
214M98.7Very high97.2Very high0 Ų016.8 Ų16.80%09%0.091CC..Hα-helixtrans-59-44.6175178.8176.917700111.3V128 V132 V210 E216 M217 L218 A282 V285 L286 F308V128-M214 HydrophobicContact CG1-CG 4.12Å; V132-M214 HydrophobicContact CG1-SD 4.26Å; V132-M214 HydrophobicContact CG2-CB 3.86Å; V132-M214 HydrophobicContact CG2-CG 3.92Å; V132-M214 HydrophobicContact CG2-SD 4.3Å; V210-M214 WeakPolarHBondContact O-CB 3.21Å; V210-M214 PolarHBondContact O-N 2.9Å; M214-E216 VanDerWaalsContact C-N 3.32Å; M214-E216 PolarHBondContact O-N 3.41Å; M214-M217 PolarHBondContact O-N 2.98Å; M214-L218 HydrophobicContact CE-CD1 4.18Å; M214-L218 HydrophobicContact CG-CD1 4.14Å; M214-L218 WeakPolarHBondContact O-CG 3.46Å; M214-L218 PolarHBondContact O-N 3.04Å; M214-A282 HydrophobicContact CE-CB 3.8Å; M214-A282 WeakPolarHBondContact CE-O 3.4Å; M214-V285 HydrophobicContact CE-CB 4.19Å; M214-V285 HydrophobicContact CE-CG1 4.25Å; M214-V285 HydrophobicContact SD-CB 4.35Å; M214-V285 HydrophobicContact SD-CG1 3.81Å; M214-L286 HydrophobicContact CB-CD2 3.99Å; M214-L286 HydrophobicContact CE-CG 4.32Å; M214-L286 HydrophobicContact CG-CD2 3.92Å; M214-L286 HydrophobicContact CG-CG 4.4Å; M214-L286 HydrophobicContact SD-CD2 4Å; M214-L286 HydrophobicContact SD-CG 4.14Å; M214-F308 HydrophobicContact CE-CD1 3.92Å; M214-F308 HydrophobicContact CE-CE1 3.46Å; M214-F308 VanDerWaalsContact CE-CE1 3.46Å; M214-F308 HydrophobicContact CE-CZ 3.92Å
215A98.6Very high97.2Very high0 Ų022.1 Ų22.10%011%0.113CC..Hα-helixtrans-61-41.1175.400000112.4G211 I213 L218 L219 L223 F275 L286G211-A215 VanDerWaalsContact O-CB 3.26Å; G211-A215 WeakPolarHBondContact O-CB 3.25Å; G211-A215 PolarHBondContact O-N 2.81Å; I213-A215 VanDerWaalsContact C-N 3.34Å; I213-A215 PolarHBondContact O-N 3.18Å; A215-L218 PolarHBondContact O-N 3.09Å; A215-L219 WeakPolarHBondContact O-CB 3.48Å; A215-L219 WeakPolarHBondContact O-CG 3.4Å; A215-L219 PolarHBondContact O-N 2.98Å; A215-L223 HydrophobicContact CB-CB 3.92Å; A215-L223 HydrophobicContact CB-CD1 4.29Å; A215-L223 HydrophobicContact CB-CD2 3.63Å; A215-L223 HydrophobicContact CB-CG 4.16Å; A215-F275 HydrophobicContact CB-CE1 3.78Å; A215-F275 HydrophobicContact CB-CZ 3.62Å; A215-L286 HydrophobicContact CB-CD2 4.04Å
216E98.2Very high97.1Very high22 Ų2222.4 Ų22.410%0.10312%0.116CC..Hα-helixtrans-65.9-39.6175.3178.2166.9172.400112.3M118 Y189 C212 I213 M214 L218 L219 G220 K221M118-E216 HydrophobicContact CE-CG 4.03Å; M118-E216 HydrophobicContact SD-CG 4.08Å; Y189-E216 WeakPolarHBondContact CE1-OE2 3.21Å; Y189-E216 PolarHBondContact OH-OE2 3.31Å; C212-E216 WeakPolarHBondContact O-CB 3.48Å; C212-E216 PolarHBondContact O-N 2.82Å; I213-E216 PolarHBondContact O-N 2.62Å; M214-E216 VanDerWaalsContact C-N 3.32Å; M214-E216 PolarHBondContact O-N 3.41Å; E216-L218 VanDerWaalsContact C-N 3.32Å; E216-L218 PolarHBondContact O-N 3.28Å; E216-L219 PolarHBondContact O-N 3.34Å; E216-G220 WeakPolarHBondContact O-CA 3.38Å; E216-G220 PolarHBondContact O-N 3.44Å; E216-K221 WeakPolarHBondContact CA-O 3.34Å
217M98.4Very high96.6Very high5 Ų529.2 Ų29.23%0.02515%0.153CC..Hα-helixtrans-59.4-43.7174.6-70.4-168-11500111.5L114 M118 L123 V128 L131 V132 I135 I213 M214L114-M217 HydrophobicContact CD1-SD 4.31Å; L114-M217 HydrophobicContact CD2-CE 3.95Å; L114-M217 HydrophobicContact CD2-SD 4.3Å; M118-M217 HydrophobicContact CG-CG 4.46Å; M118-M217 HydrophobicContact SD-CB 4.33Å; M118-M217 HydrophobicContact SD-CG 3.55Å; M118-M217 VanDerWaalsContact SD-CG 3.55Å; L123-M217 HydrophobicContact CD1-CB 4.13Å; L123-M217 HydrophobicContact CD1-CG 3.82Å; L123-M217 HydrophobicContact CD1-SD 3.81Å; V128-M217 HydrophobicContact CB-CB 4.5Å; V128-M217 HydrophobicContact CB-SD 4.47Å; V128-M217 HydrophobicContact CG1-CB 4.06Å; V128-M217 HydrophobicContact CG1-SD 4.15Å; V128-M217 HydrophobicContact CG2-CB 3.69Å; V128-M217 HydrophobicContact CG2-SD 4.28Å; L131-M217 HydrophobicContact CB-CE 4.43Å; L131-M217 HydrophobicContact CB-SD 4.29Å; L131-M217 HydrophobicContact CD1-SD 4.18Å; V132-M217 HydrophobicContact CG2-CE 3.54Å; I135-M217 HydrophobicContact CD1-CE 4.16Å; I213-M217 HydrophobicContact CG2-CE 3.6Å; I213-M217 WeakPolarHBondContact O-CG 3.45Å; I213-M217 PolarHBondContact O-N 3.48Å; M214-M217 PolarHBondContact O-N 2.98Å
218L97.9Very high96Very high42 Ų4233.1 Ų33.122%0.2217%0.173CC..Hα-helixtrans-72.3-37.7-179.4-66.6168000113.1V128 M214 A215 E216 F275 A278 A282 L286V128-L218 HydrophobicContact CB-CD2 4.38Å; V128-L218 HydrophobicContact CG1-CD2 4.15Å; V128-L218 HydrophobicContact CG1-CG 4.22Å; V128-L218 HydrophobicContact CG2-CD2 4.21Å; M214-L218 HydrophobicContact CE-CD1 4.18Å; M214-L218 HydrophobicContact CG-CD1 4.14Å; M214-L218 WeakPolarHBondContact O-CG 3.46Å; M214-L218 PolarHBondContact O-N 3.04Å; A215-L218 PolarHBondContact O-N 3.09Å; E216-L218 VanDerWaalsContact C-N 3.32Å; E216-L218 PolarHBondContact O-N 3.28Å; L218-F275 HydrophobicContact CB-CD1 4.2Å; L218-F275 HydrophobicContact CB-CE1 4.48Å; L218-F275 HydrophobicContact CD1-CD1 4.35Å; L218-A278 HydrophobicContact CD1-CB 4.26Å; L218-A278 HydrophobicContact CD2-CB 4.23Å; L218-A282 HydrophobicContact CD1-CB 4.44Å; L218-L286 HydrophobicContact CD1-CD1 3.94Å
219L96.1Very high95.3Very high41 Ų4137.6 Ų37.622%0.21519%0.194CC..Hα-helixtrans-88.9-19.4-179-65.7171.2000113.3R122 A215 E216 K221 L223 F275R122-L219 PolarHBondContact NH1-O 3.05Å; A215-L219 WeakPolarHBondContact O-CB 3.48Å; A215-L219 WeakPolarHBondContact O-CG 3.4Å; A215-L219 PolarHBondContact O-N 2.98Å; E216-L219 PolarHBondContact O-N 3.34Å; L219-K221 HydrophobicContact CB-CG 4.12Å; L219-K221 PolarHBondContact O-N 3.24Å; L219-L223 HydrophobicContact CD1-CD1 3.9Å; L219-F275 HydrophobicContact CD1-CD1 4.33Å; L219-F275 HydrophobicContact CD1-CE1 3.55Å; L219-F275 HydrophobicContact CD1-CZ 3.99Å; L219-F275 HydrophobicContact CD2-CD1 3.99Å; L219-F275 HydrophobicContact CD2-CE1 4.05Å; L219-F275 HydrophobicContact CG-CD1 3.95Å; L219-F275 HydrophobicContact CG-CE1 3.56Å; L219-F275 HydrophobicContact CG-CZ 4.46Å
220G95.3Very high94.7Very high25 Ų2540.4 Ų40.426%0.25821%0.209SC..THydrogen-bonded Turntrans51.132.8-164.500000114.3R122 E216R122-G220 PolarHBondContact NH2-O 3.44Å; E216-G220 WeakPolarHBondContact O-CA 3.38Å; E216-G220 PolarHBondContact O-N 3.44Å
221K94.9Very high94.3Very high138 Ų13842 Ų4260%0.622%0.217SC*.SBendtrans-152.2149.2167.863.7179.4-179.4-179.60109.2E216 L219 L223E216-K221 WeakPolarHBondContact CA-O 3.34Å; L219-K221 HydrophobicContact CB-CG 4.12Å; L219-K221 PolarHBondContact O-N 3.24Å; K221-L223 PolarHBondContact O-N 2.98Å
222P96.4Very high93.9Very high35 Ų3542 Ų4223%0.22722%0.217CC..  trans-54.5135.4178.1-25.632.8000112.1W188W188-P222 HydrophobicContact CD2-CB 4.43Å; W188-P222 HydrophobicContact CE3-CB 3.78Å; W188-P222 HydrophobicContact CE3-CG 3.6Å; W188-P222 HydrophobicContact CZ3-CB 4.26Å; W188-P222 HydrophobicContact CZ3-CG 3.61Å
223L97.3Very high93.5Very high20 Ų2042 Ų4211%0.10522%0.217CC..SBendtrans-67.4-44.2-179.5-176.463000112.1A215 L219 K221 I239 F275 L290A215-L223 HydrophobicContact CB-CB 3.92Å; A215-L223 HydrophobicContact CB-CD1 4.29Å; A215-L223 HydrophobicContact CB-CD2 3.63Å; A215-L223 HydrophobicContact CB-CG 4.16Å; L219-L223 HydrophobicContact CD1-CD1 3.9Å; K221-L223 PolarHBondContact O-N 2.98Å; L223-I239 HydrophobicContact CD1-CD1 3.53Å; L223-I239 HydrophobicContact CG-CD1 3.89Å; L223-F275 HydrophobicContact CD1-CZ 4.01Å; L223-L290 HydrophobicContact CD2-CD1 3.58Å
224F96.4Very high93.1Very high2 Ų246.7 Ų46.71%0.00924%0.237CC..  trans-123.9105.3-177.4-51.9-61.4000110.4W188 W208 C212 Q232 E235 I236 I239 L290W188-F224 WeakPolarHBondContact CA-O 3.27Å; W188-F224 WeakPolarHBondContact CB-O 3.46Å; W188-F224 VanDerWaalsContact CG-O 3.31Å; W208-F224 HydrophobicContact CH2-CE2 4.27Å; W208-F224 HydrophobicContact CH2-CZ 4.4Å; W208-F224 HydrophobicContact CZ2-CD2 4.23Å; W208-F224 AromaticContact CZ2-CE2 3.58Å; W208-F224 HydrophobicContact CZ2-CE2 3.58Å; W208-F224 HydrophobicContact CZ2-CZ 4.1Å; C212-F224 VanDerWaalsContact SG-CD2 3.54Å; F224-Q232 PolarHBondContact O-NE2 3.11Å; F224-Q232 PolarHBondContact O-OE1 3.41Å; F224-E235 HydrophobicContact CB-CB 4.36Å; F224-I236 HydrophobicContact CB-CG1 4.29Å; F224-I236 HydrophobicContact CD1-CB 4.44Å; F224-I236 HydrophobicContact CD1-CG1 3.98Å; F224-I236 HydrophobicContact CD2-CG1 4.05Å; F224-I236 HydrophobicContact CE1-CB 4.41Å; F224-I236 HydrophobicContact CE1-CG1 4.26Å; F224-I236 HydrophobicContact CE2-CG1 4.33Å; F224-I236 HydrophobicContact CG-CG1 3.85Å; F224-I236 HydrophobicContact CZ-CG1 4.43Å; F224-I239 HydrophobicContact CD1-CD1 3.95Å; F224-I239 HydrophobicContact CE1-CB 4.01Å; F224-I239 HydrophobicContact CE1-CD1 3.42Å; F224-I239 VanDerWaalsContact CE1-CD1 3.42Å; F224-I239 HydrophobicContact CE1-CG1 4.12Å; F224-I239 HydrophobicContact CZ-CD1 4.3Å; F224-L290 HydrophobicContact CE2-CD2 4.19Å
225K94.2Very high93Very high125 Ų12548.7 Ų48.754%0.54325%0.247SC..  trans-11575.3-175.6-165.4-169.9177.1-177.90111.6W188W188-K225 HydrophobicContact CD2-CG 4.2Å; W188-K225 HydrophobicContact CH2-CD 4.27Å; W188-K225 HydrophobicContact CH2-CG 4.01Å; W188-K225 HydrophobicContact CZ2-CD 4.1Å; W188-K225 HydrophobicContact CZ2-CG 3.47Å; W188-K225 VanDerWaalsContact CZ2-CG 3.47Å
226G90.9Very high92.8Very high9 Ų948.7 Ų48.79%0.09325%0.247CC..  trans-85.2149.9173.500000113.3W188 D231W188-G226 PolarHBondContact NE1-O 2.69Å; G226-D231 WeakPolarHBondContact CA-OD2 3.42Å
227N86.9Confident92.6Very high143 Ų14348.2 Ų48.277%0.76525%0.245SC*.SBendtrans-86.1-29.9176.2-61.1-67.5000112.7D231N227-D231 PolarHBondContact N-OD2 3.43Å; N227-D231 PolarHBondContact ND2-OD2 3.39Å
228D85.6Confident92.4Very high82 Ų8252.7 Ų52.744%0.43926%0.264SS..SBendtrans-141.1-175.7176.16554.9000111.1L230 D231 Q232D228-L230 WeakPolarHBondContact OD1-CA 3.47Å; D228-L230 PolarHBondContact OD1-N 3.34Å; D228-D231 PolarHBondContact OD1-N 3.39Å; D228-Q232 WeakPolarHBondContact O-CB 3.38Å; D228-Q232 PolarHBondContact O-N 3.4Å
229H82.7Confident92.3Very high94 Ų9451.7 Ų51.744%0.43526%0.258SS..Hα-helixtrans-68-33.7-176.563.485.5000113.6I195 L233I195-H229 HydrophobicContact CG2-CB 3.8Å; H229-L233 PolarHBondContact O-N 3.39Å
230L85.6Confident92.3Very high63 Ų6350.7 Ų50.733%0.3325%0.254SS..Hα-helixtrans-77-41.5177.5-63.7179.9000110.8D228 L233 K234 Y259D228-L230 WeakPolarHBondContact OD1-CA 3.47Å; D228-L230 PolarHBondContact OD1-N 3.34Å; L230-L233 PolarHBondContact O-N 2.99Å; L230-K234 WeakPolarHBondContact O-CG 3.27Å; L230-K234 PolarHBondContact O-N 2.63Å; L230-Y259 HydrophobicContact CD2-CE1 4.36Å; L230-Y259 HydrophobicContact CD2-CE2 4.35Å
231D89.8Confident92.2Very high34 Ų3449.6 Ų49.618%0.18224%0.243CC..Hα-helixtrans-62.8-43.7176.2-167.238.7000111G226 N227 D228 L233 K234 E235G226-D231 WeakPolarHBondContact CA-OD2 3.42Å; N227-D231 PolarHBondContact N-OD2 3.43Å; N227-D231 PolarHBondContact ND2-OD2 3.39Å; D228-D231 PolarHBondContact OD1-N 3.39Å; D231-L233 VanDerWaalsContact C-N 3.31Å; D231-L233 PolarHBondContact O-N 3.3Å; D231-K234 WeakPolarHBondContact O-CB 3.32Å; D231-K234 PolarHBondContact O-N 2.81Å; D231-K234 VanDerWaalsContact O-N 3.12Å; D231-E235 PolarHBondContact O-N 3.34Å
232Q91.8Very high92.1Very high0 Ų044.1 Ų44.10%022%0.221CC..Hα-helixtrans-57.4-43.6174-175.466.227.100112I195 F224 D228 K234 E235 I236I195-Q232 HydrophobicContact CD1-CB 4.45Å; I195-Q232 HydrophobicContact CD1-CG 3.54Å; F224-Q232 PolarHBondContact O-NE2 3.11Å; F224-Q232 PolarHBondContact O-OE1 3.41Å; D228-Q232 WeakPolarHBondContact O-CB 3.38Å; D228-Q232 PolarHBondContact O-N 3.4Å; Q232-K234 VanDerWaalsContact C-N 3.35Å; Q232-E235 PolarHBondContact O-N 3.5Å; Q232-I236 HydrophobicContact CG-CD1 4.33Å; Q232-I236 VanDerWaalsContact O-CG1 3.31Å; Q232-I236 WeakPolarHBondContact O-CG1 3.45Å; Q232-I236 PolarHBondContact O-N 2.83Å
233L89.4Confident91.8Very high1 Ų142.7 Ų42.71%0.00521%0.212CC..Hα-helixtrans-64.2-40.7177.1-175.869.7000111.8P192 L196 H229 L230 D231 I236 M237 Y259 I260P192-L233 HydrophobicContact CB-CD1 4.3Å; L196-L233 HydrophobicContact CD1-CD1 3.75Å; L196-L233 HydrophobicContact CD1-CD2 3.78Å; L196-L233 HydrophobicContact CD1-CG 4.34Å; L196-L233 HydrophobicContact CD2-CD2 4.21Å; H229-L233 PolarHBondContact O-N 3.39Å; L230-L233 PolarHBondContact O-N 2.99Å; D231-L233 VanDerWaalsContact C-N 3.31Å; D231-L233 PolarHBondContact O-N 3.3Å; L233-I236 WeakPolarHBondContact O-CB 3.2Å; L233-I236 PolarHBondContact O-N 2.96Å; L233-M237 HydrophobicContact CD2-CE 4.02Å; L233-M237 HydrophobicContact CG-CE 3.72Å; L233-M237 HydrophobicContact CG-SD 4.41Å; L233-M237 PolarHBondContact O-N 3.24Å; L233-Y259 HydrophobicContact CD2-CD1 4.43Å; L233-Y259 HydrophobicContact CD2-CE1 3.77Å; L233-I260 HydrophobicContact CD2-CD1 4.25Å
234K90.9Very high91.4Very high99 Ų9946.1 Ų46.143%0.4323%0.234SC..Hα-helixtrans-61.2-44.8174.7-70.9172.4-176.3175.10111.2L230 D231 Q232 I236 M237 K238L230-K234 WeakPolarHBondContact O-CG 3.27Å; L230-K234 PolarHBondContact O-N 2.63Å; D231-K234 WeakPolarHBondContact O-CB 3.32Å; D231-K234 PolarHBondContact O-N 2.81Å; D231-K234 VanDerWaalsContact O-N 3.12Å; Q232-K234 VanDerWaalsContact C-N 3.35Å; K234-I236 VanDerWaalsContact C-N 3.28Å; K234-I236 PolarHBondContact O-N 3.45Å; K234-M237 PolarHBondContact O-N 2.98Å; K234-K238 WeakPolarHBondContact O-CG 3.46Å; K234-K238 PolarHBondContact O-N 2.83Å
235E95Very high91Very high43 Ų4349.5 Ų49.520%0.20126%0.262CS..Hα-helixtrans-58.4-40.3174.9-69.9-51.9129.400112.2F224 D231 Q232 K238F224-E235 HydrophobicContact CB-CB 4.36Å; D231-E235 PolarHBondContact O-N 3.34Å; Q232-E235 PolarHBondContact O-N 3.5Å; E235-K238 IonicContact OE1-NZ 2.69Å; E235-K238 PolarHBondContact OE1-NZ 2.82Å; E235-K238 IonicContact OE2-NZ 3.76Å
236I95.5Very high90.7Very high0 Ų049.5 Ų49.50%027%0.268CS..Hα-helixtrans-62-53.4175.3-68.5169.2000110.8P192 I195 W208 F224 Q232 L233 K234 K238 I239 T240 L292P192-I236 HydrophobicContact CB-CD1 4.28Å; I195-I236 HydrophobicContact CD1-CD1 4.1Å; W208-I236 HydrophobicContact CH2-CG2 3.59Å; W208-I236 HydrophobicContact CZ2-CD1 3.88Å; W208-I236 HydrophobicContact CZ2-CG1 3.95Å; W208-I236 HydrophobicContact CZ2-CG2 3.78Å; F224-I236 HydrophobicContact CB-CG1 4.29Å; F224-I236 HydrophobicContact CD1-CB 4.44Å; F224-I236 HydrophobicContact CD1-CG1 3.98Å; F224-I236 HydrophobicContact CD2-CG1 4.05Å; F224-I236 HydrophobicContact CE1-CB 4.41Å; F224-I236 HydrophobicContact CE1-CG1 4.26Å; F224-I236 HydrophobicContact CE2-CG1 4.33Å; F224-I236 HydrophobicContact CG-CG1 3.85Å; F224-I236 HydrophobicContact CZ-CG1 4.43Å; Q232-I236 HydrophobicContact CG-CD1 4.33Å; Q232-I236 VanDerWaalsContact O-CG1 3.31Å; Q232-I236 WeakPolarHBondContact O-CG1 3.45Å; Q232-I236 PolarHBondContact O-N 2.83Å; L233-I236 WeakPolarHBondContact O-CB 3.2Å; L233-I236 PolarHBondContact O-N 2.96Å; K234-I236 VanDerWaalsContact C-N 3.28Å; K234-I236 PolarHBondContact O-N 3.45Å; I236-K238 PolarHBondContact O-N 3.01Å; I236-I239 PolarHBondContact O-N 3.49Å; I236-T240 HydrophobicContact CG2-CG2 4.12Å; I236-T240 PolarHBondContact O-N 3.12Å; I236-T240 PolarHBondContact O-OG1 3.07Å; I236-T240 VanDerWaalsContact O-OG1 3.14Å; I236-L292 HydrophobicContact CG2-CD2 3.86Å
237M93.7Very high90.5Very high11 Ų1149.4 Ų49.45%0.05427%0.265CS..Hα-helixtrans-65.8-23.6-176.9-70.3-177.9-63.200113.6L233 K234 I239 G241 T242 I260 L263L233-M237 HydrophobicContact CD2-CE 4.02Å; L233-M237 HydrophobicContact CG-CE 3.72Å; L233-M237 HydrophobicContact CG-SD 4.41Å; L233-M237 PolarHBondContact O-N 3.24Å; K234-M237 PolarHBondContact O-N 2.98Å; M237-I239 PolarHBondContact O-N 2.8Å; M237-G241 CarbonylContact O-C 3.58Å; M237-G241 WeakPolarHBondContact O-CA 3.35Å; M237-G241 PolarHBondContact O-N 3.15Å; M237-T242 HydrophobicContact SD-CG2 4.33Å; M237-I260 HydrophobicContact SD-CD1 4.23Å; M237-L263 HydrophobicContact CE-CD1 3.35Å; M237-L263 HydrophobicContact SD-CD1 3.85Å
238K94.7Very high90.6Very high100 Ų10042.8 Ų42.844%0.43523%0.23SC..Hα-helixtrans-60-22.5171.3-77.2174.4-171.8176.70113K234 E235 I236 K269K234-K238 WeakPolarHBondContact O-CG 3.46Å; K234-K238 PolarHBondContact O-N 2.83Å; E235-K238 IonicContact OE1-NZ 2.69Å; E235-K238 PolarHBondContact OE1-NZ 2.82Å; E235-K238 IonicContact OE2-NZ 3.76Å; I236-K238 PolarHBondContact O-N 3.01Å; K238-K269 VanDerWaalsContact O-CD 3.25Å; K238-K269 WeakPolarHBondContact O-CD 3.42Å; K238-K269 WeakPolarHBondContact O-CE 3.23Å
239I96Very high90.7Very high20 Ų2043.2 Ų43.210%0.10324%0.236CC..Hα-helixtrans-109.2-50.5179.8-63.6169.8000110.5L223 F224 I236 M237 G241 K269 L271 I274L223-I239 HydrophobicContact CD1-CD1 3.53Å; L223-I239 HydrophobicContact CG-CD1 3.89Å; F224-I239 HydrophobicContact CD1-CD1 3.95Å; F224-I239 HydrophobicContact CE1-CB 4.01Å; F224-I239 HydrophobicContact CE1-CD1 3.42Å; F224-I239 VanDerWaalsContact CE1-CD1 3.42Å; F224-I239 HydrophobicContact CE1-CG1 4.12Å; F224-I239 HydrophobicContact CZ-CD1 4.3Å; I236-I239 PolarHBondContact O-N 3.49Å; M237-I239 PolarHBondContact O-N 2.8Å; I239-G241 PolarHBondContact O-N 2.71Å; I239-K269 PolarHBondContact O-N 3.24Å; I239-L271 HydrophobicContact CG2-CD2 3.6Å; I239-I274 HydrophobicContact CG1-CD1 4.21Å; I239-I274 HydrophobicContact CG2-CD1 3.9Å
240T95.3Very high90.8Very high20 Ų2042.3 Ų42.312%0.12323%0.23CC..Hα-helixtrans-77.1-11.4-17660.80000113.8W208 I236 K268 L292W208-T240 HydrophobicContact CH2-CG2 4Å; W208-T240 HydrophobicContact CZ3-CG2 4.48Å; I236-T240 HydrophobicContact CG2-CG2 4.12Å; I236-T240 PolarHBondContact O-N 3.12Å; I236-T240 PolarHBondContact O-OG1 3.07Å; I236-T240 VanDerWaalsContact O-OG1 3.14Å; T240-K268 WeakPolarHBondContact O-CB 3.39Å; T240-L292 HydrophobicContact CG2-CD2 4.41Å; T240-L292 HydrophobicContact CG2-CG 4.37Å
241G94.1Very high90.8Very high2 Ų239.4 Ų39.42%0.02122%0.215CC..  trans77.2170.2-167.400000112.2M237 I239 V266M237-G241 CarbonylContact O-C 3.58Å; M237-G241 WeakPolarHBondContact O-CA 3.35Å; M237-G241 PolarHBondContact O-N 3.15Å; I239-G241 PolarHBondContact O-N 2.71Å; G241-V266 CarbonylContact C-O 3.56Å; G241-V266 WeakPolarHBondContact CA-O 3.49Å
242T91.6Very high90.5Very high23 Ų2343.3 Ų43.314%0.14123%0.232CC..SBendtrans-71144.5172.1460000111.2M237 P264 K265 V266M237-T242 HydrophobicContact SD-CG2 4.33Å; T242-P264 WeakPolarHBondContact CG2-O 3.39Å; T242-K265 WeakPolarHBondContact OG1-CD 3.2Å; T242-V266 HydrophobicContact CG2-CB 4.2Å; T242-V266 HydrophobicContact CG2-CG2 4.31Å; T242-V266 PolarHBondContact N-O 3.06Å; T242-V266 PolarHBondContact OG1-N 3.32Å; T242-V266 VanDerWaalsContact OG1-N 3.14Å; T242-V266 PolarHBondContact OG1-O 3.35Å
243P89.9Confident90.1Very high5 Ų545.3 Ų45.33%0.03225%0.246CC..PPolyproline II helixtrans-59.8144.5-179.8-13.721.4000113.7F247 V248 I260 L292P243-F247 HydrophobicContact CB-CB 4.38Å; P243-F247 HydrophobicContact CB-CD1 3.43Å; P243-F247 VanDerWaalsContact CB-CD1 3.43Å; P243-F247 HydrophobicContact CB-CE1 4.1Å; P243-F247 HydrophobicContact CB-CG 4.28Å; P243-F247 HydrophobicContact CG-CD1 4.2Å; P243-F247 HydrophobicContact CG-CE1 4.41Å; P243-V248 HydrophobicContact CB-CG2 4.2Å; P243-I260 HydrophobicContact CB-CG2 4.29Å; P243-I260 HydrophobicContact CG-CD1 4.26Å; P243-I260 HydrophobicContact CG-CG2 3.83Å; P243-L292 HydrophobicContact CB-CD1 4.25Å; P243-L292 HydrophobicContact CG-CD1 4Å
244T89.3Confident89.9Confident93 Ų9350.2 Ų50.257%0.57127%0.269SS*.PPolyproline II helixtrans-69.5160.8177.459.40000111.3D246 F247 V248T244-D246 VanDerWaalsContact C-N 3.25Å; T244-D246 PolarHBondContact O-N 3.44Å; T244-F247 PolarHBondContact O-N 2.97Å; T244-F247 VanDerWaalsContact O-N 3.14Å; T244-F247 PolarHBondContact OG1-N 2.88Å; T244-V248 WeakPolarHBondContact O-CG2 3.26Å; T244-V248 PolarHBondContact O-N 2.86Å
245A87.8Confident89.7Confident73 Ų7351.5 Ų51.560%0.60328%0.281SS*.Hα-helixtrans-56.2-42.5176.500000111.7F247 V248 T249A245-F247 VanDerWaalsContact C-N 3.31Å; A245-F247 PolarHBondContact O-N 3.37Å; A245-V248 PolarHBondContact O-N 3.35Å; A245-V248 VanDerWaalsContact O-N 3.14Å; A245-T249 PolarHBondContact O-N 3.03Å; A245-T249 VanDerWaalsContact O-N 3.08Å
246D87.9Confident89.1Confident125 Ų12550.2 Ų50.267%0.66828%0.277SS*.Hα-helixtrans-63.1-33.5178-58.6-16.5000113.2T244 T249T244-D246 VanDerWaalsContact C-N 3.25Å; T244-D246 PolarHBondContact O-N 3.44Å; D246-T249 PolarHBondContact O-OG1 3.46Å
247F87.2Confident88.7Confident7 Ų751.9 Ų51.93%0.03129%0.285CS..Hα-helixtrans-75.4-38.6173.9179.9-98000111.4W198 M199 P243 T244 A245 T249 K250 L251 D293W198-F247 AromaticContact CH2-CE1 3.79Å; W198-F247 HydrophobicContact CH2-CE1 3.79Å; W198-F247 HydrophobicContact CH2-CZ 4.42Å; W198-F247 AromaticContact CZ2-CE1 3.66Å; W198-F247 HydrophobicContact CZ2-CE1 3.66Å; W198-F247 AromaticContact CZ2-CZ 3.83Å; W198-F247 HydrophobicContact CZ2-CZ 3.83Å; M199-F247 HydrophobicContact SD-CE2 4.2Å; M199-F247 HydrophobicContact SD-CZ 4.27Å; P243-F247 HydrophobicContact CB-CB 4.38Å; P243-F247 HydrophobicContact CB-CD1 3.43Å; P243-F247 VanDerWaalsContact CB-CD1 3.43Å; P243-F247 HydrophobicContact CB-CE1 4.1Å; P243-F247 HydrophobicContact CB-CG 4.28Å; P243-F247 HydrophobicContact CG-CD1 4.2Å; P243-F247 HydrophobicContact CG-CE1 4.41Å; T244-F247 PolarHBondContact O-N 2.97Å; T244-F247 VanDerWaalsContact O-N 3.14Å; T244-F247 PolarHBondContact OG1-N 2.88Å; A245-F247 VanDerWaalsContact C-N 3.31Å; A245-F247 PolarHBondContact O-N 3.37Å; F247-T249 PolarHBondContact O-N 3.42Å; F247-K250 WeakPolarHBondContact O-CB 3.4Å; F247-K250 PolarHBondContact O-N 3.01Å; F247-K250 VanDerWaalsContact O-N 3.11Å; F247-L251 HydrophobicContact CD1-CD2 4.47Å; F247-L251 HydrophobicContact CE1-CD2 3.85Å; F247-L251 HydrophobicContact CZ-CD2 4.13Å; F247-D293 HydrophobicContact CD2-CB 3.75Å; F247-D293 HydrophobicContact CE2-CB 4.01Å
248V87.9Confident88.5Confident4 Ų455.1 Ų55.12%0.02430%0.302CS..Hα-helixtrans-61.8-32.7178.9173.60000111.7P243 T244 A245 K250 L251 K257 I260 R261P243-V248 HydrophobicContact CB-CG2 4.2Å; T244-V248 WeakPolarHBondContact O-CG2 3.26Å; T244-V248 PolarHBondContact O-N 2.86Å; A245-V248 PolarHBondContact O-N 3.35Å; A245-V248 VanDerWaalsContact O-N 3.14Å; V248-K250 VanDerWaalsContact C-N 3.32Å; V248-K250 PolarHBondContact O-N 2.76Å; V248-L251 HydrophobicContact CG1-CD1 4.45Å; V248-L251 WeakPolarHBondContact O-CB 3.24Å; V248-L251 PolarHBondContact O-N 3.22Å; V248-K257 HydrophobicContact CG1-CB 4.25Å; V248-K257 HydrophobicContact CG1-CG 4.11Å; V248-K257 VanDerWaalsContact O-CE 3.3Å; V248-K257 WeakPolarHBondContact O-CE 3.41Å; V248-K257 WeakPolarHBondContact O-CG 3.38Å; V248-I260 HydrophobicContact CG2-CB 4.39Å; V248-I260 HydrophobicContact CG2-CG2 3.6Å; V248-R261 HydrophobicContact CG1-CG 4.4Å
249T87.8Confident88.1Confident91 Ų9153.5 Ų53.556%0.55829%0.294SS*.Hα-helixtrans-66.6-33.8176.253.60000112.4A245 D246 F247 L251 K257A245-T249 PolarHBondContact O-N 3.03Å; A245-T249 VanDerWaalsContact O-N 3.08Å; D246-T249 PolarHBondContact O-OG1 3.46Å; F247-T249 PolarHBondContact O-N 3.42Å; T249-L251 VanDerWaalsContact C-N 3.28Å; T249-L251 PolarHBondContact O-N 3.26Å; T249-K257 PolarHBondContact O-NZ 2.98Å
250K86.5Confident87.7Confident75 Ų7552.6 Ų52.633%0.32629%0.289SS..Hα-helixtrans-67.4-23.7177.7-61.1-176.8179.8-172.50113.7M199 F247 V248 D293 E295M199-K250 HydrophobicContact CE-CB 3.59Å; M199-K250 WeakPolarHBondContact CE-O 3.49Å; M199-K250 HydrophobicContact SD-CB 4.29Å; F247-K250 WeakPolarHBondContact O-CB 3.4Å; F247-K250 PolarHBondContact O-N 3.01Å; F247-K250 VanDerWaalsContact O-N 3.11Å; V248-K250 VanDerWaalsContact C-N 3.32Å; V248-K250 PolarHBondContact O-N 2.76Å; K250-D293 IonicContact NZ-OD1 2.64Å; K250-D293 IonicContact NZ-OD2 2.96Å; K250-D293 PolarHBondContact NZ-OD2 2.91Å; K250-E295 IonicContact NZ-OE2 3.91Å; K250-E295 PolarHBondContact NZ-OE2 2.92Å
251L84.2Confident87.4Confident2 Ų258.2 Ų58.21%0.0131%0.308CS..  trans-56.3141.5178.2-58.6-178.5000110.9W198 M199 F247 V248 T249 K257 I260W198-L251 HydrophobicContact CB-CD2 4.38Å; W198-L251 HydrophobicContact CD2-CD1 4.4Å; W198-L251 HydrophobicContact CD2-CD2 3.31Å; W198-L251 HydrophobicContact CD2-CG 4.43Å; W198-L251 HydrophobicContact CE3-CD1 3.64Å; W198-L251 HydrophobicContact CE3-CD2 3.42Å; W198-L251 VanDerWaalsContact CE3-CD2 3.42Å; W198-L251 HydrophobicContact CE3-CG 4.14Å; W198-L251 HydrophobicContact CG-CD2 3.75Å; W198-L251 HydrophobicContact CH2-CD2 4.24Å; W198-L251 HydrophobicContact CZ2-CD2 4.12Å; W198-L251 HydrophobicContact CZ3-CD1 3.82Å; W198-L251 HydrophobicContact CZ3-CD2 3.89Å; M199-L251 HydrophobicContact CG-CD2 4.02Å; M199-L251 HydrophobicContact SD-CD2 3.83Å; F247-L251 HydrophobicContact CD1-CD2 4.47Å; F247-L251 HydrophobicContact CE1-CD2 3.85Å; F247-L251 HydrophobicContact CZ-CD2 4.13Å; V248-L251 HydrophobicContact CG1-CD1 4.45Å; V248-L251 WeakPolarHBondContact O-CB 3.24Å; V248-L251 PolarHBondContact O-N 3.22Å; T249-L251 VanDerWaalsContact C-N 3.28Å; T249-L251 PolarHBondContact O-N 3.26Å; L251-K257 HydrophobicContact CB-CG 3.88Å; L251-K257 HydrophobicContact CD1-CG 4.2Å; L251-K257 WeakPolarHBondContact O-CE 3.38Å; L251-K257 PolarHBondContact O-NZ 3.17Å; L251-I260 HydrophobicContact CD1-CG1 4.39Å
252Q84.1Confident87.1Confident115 Ų11562.4 Ų62.454%0.53734%0.338SS..SBendtrans-88.4-35178.6-65.1-179-41.500111.9W198 H200W198-Q252 WeakPolarHBondContact O-CB 3.32Å; W198-Q252 PolarHBondContact O-N 3.28Å; H200-Q252 PolarHBondContact CD2-NE2 3.23Å; H200-Q252 PolarHBondContact NE2-NE2 3.23Å
253S83.6Confident87Confident43 Ų4362.8 Ų62.830%0.30134%0.338SS..  trans-81.1125.1-179.2169.80000112.6D255 A256 K257S253-D255 PolarHBondContact OG-N 2.9Å; S253-A256 PolarHBondContact O-N 3.35Å; S253-A256 PolarHBondContact OG-N 2.88Å; S253-K257 WeakPolarHBondContact O-CG 3.31Å; S253-K257 PolarHBondContact O-N 2.82Å
254Q85.8Confident87Confident103 Ų10367.4 Ų67.448%0.48137%0.369SS..Hα-helixtrans-66.8-36.9175.2-172.959.236.800112.2A256 K257 N258Q254-A256 VanDerWaalsContact C-N 3.31Å; Q254-A256 PolarHBondContact O-N 3.31Å; Q254-K257 WeakPolarHBondContact O-CB 3.37Å; Q254-K257 PolarHBondContact O-N 2.83Å; Q254-N258 PolarHBondContact NE2-OD1 3.37Å; Q254-N258 VanDerWaalsContact O-CG 3.24Å; Q254-N258 PolarHBondContact O-N 2.88Å; Q254-N258 PolarHBondContact O-ND2 3.23Å
255D85.1Confident87.1Confident126 Ų12669.4 Ų69.467%0.67437%0.369SS*.Hα-helixtrans-63.2-41.6175.9-65.3-30.9000110.9S253 K257 N258 Y259S253-D255 PolarHBondContact OG-N 2.9Å; D255-K257 PolarHBondContact O-N 3.19Å; D255-N258 PolarHBondContact O-N 2.84Å; D255-Y259 WeakPolarHBondContact O-CB 3.28Å; D255-Y259 PolarHBondContact O-N 2.82Å
256A83.3Confident87.4Confident16 Ų1668.7 Ų68.713%0.13236%0.357CS..Hα-helixtrans-64.7-40.4176.300000111.8W198 S253 Q254 Y259 I260W198-A256 HydrophobicContact CB-CB 4.09Å; W198-A256 HydrophobicContact CE3-CB 4.08Å; S253-A256 PolarHBondContact O-N 3.35Å; S253-A256 PolarHBondContact OG-N 2.88Å; Q254-A256 VanDerWaalsContact C-N 3.31Å; Q254-A256 PolarHBondContact O-N 3.31Å; A256-Y259 PolarHBondContact O-N 2.63Å; A256-I260 WeakPolarHBondContact O-CG1 2.75Å; A256-I260 PolarHBondContact O-N 2.74Å
257K88.1Confident87.7Confident35 Ų3567.8 Ų67.815%0.15236%0.358CS..Hα-helixtrans-59-48.1172.8-71.2176.5-176.1172.50111.7V248 T249 L251 S253 Q254 D255 Y259 I260 R261V248-K257 HydrophobicContact CG1-CB 4.25Å; V248-K257 HydrophobicContact CG1-CG 4.11Å; V248-K257 VanDerWaalsContact O-CE 3.3Å; V248-K257 WeakPolarHBondContact O-CE 3.41Å; V248-K257 WeakPolarHBondContact O-CG 3.38Å; T249-K257 PolarHBondContact O-NZ 2.98Å; L251-K257 HydrophobicContact CB-CG 3.88Å; L251-K257 HydrophobicContact CD1-CG 4.2Å; L251-K257 WeakPolarHBondContact O-CE 3.38Å; L251-K257 PolarHBondContact O-NZ 3.17Å; S253-K257 WeakPolarHBondContact O-CG 3.31Å; S253-K257 PolarHBondContact O-N 2.82Å; Q254-K257 WeakPolarHBondContact O-CB 3.37Å; Q254-K257 PolarHBondContact O-N 2.83Å; D255-K257 PolarHBondContact O-N 3.19Å; K257-Y259 VanDerWaalsContact C-N 3.35Å; K257-I260 PolarHBondContact O-N 3.02Å; K257-R261 WeakPolarHBondContact O-CB 3.38Å; K257-R261 WeakPolarHBondContact O-CD 3.41Å; K257-R261 WeakPolarHBondContact O-CG 3.35Å; K257-R261 PolarHBondContact O-N 3.29Å
258N89.2Confident88.1Confident80 Ų8072.7 Ų72.743%0.42838%0.38SS..Hα-helixtrans-64.1-42.1-179.1-69-13.9000111.2Q254 D255 R261 S262Q254-N258 PolarHBondContact NE2-OD1 3.37Å; Q254-N258 VanDerWaalsContact O-CG 3.24Å; Q254-N258 PolarHBondContact O-N 2.88Å; Q254-N258 PolarHBondContact O-ND2 3.23Å; D255-N258 PolarHBondContact O-N 2.84Å; N258-R261 PolarHBondContact O-N 3.27Å; N258-S262 PolarHBondContact O-N 2.87Å
259Y86.1Confident88.5Confident65 Ų6577.7 Ų77.726%0.25540%0.401SS..Hα-helixtrans-61.4-49.7175.8179.8-99.3000112.1L230 L233 D255 A256 K257 R261 S262 L263L230-Y259 HydrophobicContact CD2-CE1 4.36Å; L230-Y259 HydrophobicContact CD2-CE2 4.35Å; L233-Y259 HydrophobicContact CD2-CD1 4.43Å; L233-Y259 HydrophobicContact CD2-CE1 3.77Å; D255-Y259 WeakPolarHBondContact O-CB 3.28Å; D255-Y259 PolarHBondContact O-N 2.82Å; A256-Y259 PolarHBondContact O-N 2.63Å; K257-Y259 VanDerWaalsContact C-N 3.35Å; Y259-R261 VanDerWaalsContact C-N 3.27Å; Y259-R261 PolarHBondContact O-N 3.46Å; Y259-S262 PolarHBondContact O-N 2.96Å; Y259-S262 VanDerWaalsContact O-N 3.15Å; Y259-S262 PolarHBondContact O-OG 3.24Å; Y259-L263 HydrophobicContact CD1-CD1 4.27Å; Y259-L263 HydrophobicContact CE1-CD1 3.77Å; Y259-L263 HydrophobicContact CE1-CD2 4.38Å; Y259-L263 HydrophobicContact CE1-CG 4.27Å; Y259-L263 WeakPolarHBondContact O-CG 3.44Å; Y259-L263 PolarHBondContact O-N 3.06Å
260I86.3Confident89Confident1 Ų177.7 Ų77.71%0.00540%0.397CS..Hα-helixtrans-63.5-34.5178.5-65.9-60000112.2W198 L233 M237 P243 V248 L251 A256 K257 S262 L263W198-I260 HydrophobicContact CH2-CD1 4.41Å; W198-I260 HydrophobicContact CZ3-CD1 3.88Å; W198-I260 HydrophobicContact CZ3-CG1 3.73Å; L233-I260 HydrophobicContact CD2-CD1 4.25Å; M237-I260 HydrophobicContact SD-CD1 4.23Å; P243-I260 HydrophobicContact CB-CG2 4.29Å; P243-I260 HydrophobicContact CG-CD1 4.26Å; P243-I260 HydrophobicContact CG-CG2 3.83Å; V248-I260 HydrophobicContact CG2-CB 4.39Å; V248-I260 HydrophobicContact CG2-CG2 3.6Å; L251-I260 HydrophobicContact CD1-CG1 4.39Å; A256-I260 WeakPolarHBondContact O-CG1 2.75Å; A256-I260 PolarHBondContact O-N 2.74Å; K257-I260 PolarHBondContact O-N 3.02Å; I260-S262 VanDerWaalsContact C-N 3.32Å; I260-L263 HydrophobicContact CD1-CD1 4.03Å; I260-L263 PolarHBondContact O-N 3.23Å
261R88.8Confident89.5Confident138 Ų13874.3 Ų74.352%0.52138%0.383SS..Hα-helixtrans-69.3-28.5176.9-73.8170.2-177.2156.9-2.3113V248 K257 N258 Y259 L263V248-R261 HydrophobicContact CG1-CG 4.4Å; K257-R261 WeakPolarHBondContact O-CB 3.38Å; K257-R261 WeakPolarHBondContact O-CD 3.41Å; K257-R261 WeakPolarHBondContact O-CG 3.35Å; K257-R261 PolarHBondContact O-N 3.29Å; N258-R261 PolarHBondContact O-N 3.27Å; Y259-R261 VanDerWaalsContact C-N 3.27Å; Y259-R261 PolarHBondContact O-N 3.46Å; R261-L263 VanDerWaalsContact C-N 3.35Å
262S89.7Confident90.1Very high91 Ų9177.6 Ų77.664%0.63640%0.398SS*.Hα-helixtrans-81.2-14.8178.372.40000113.5N258 Y259 I260N258-S262 PolarHBondContact O-N 2.87Å; Y259-S262 PolarHBondContact O-N 2.96Å; Y259-S262 VanDerWaalsContact O-N 3.15Å; Y259-S262 PolarHBondContact O-OG 3.24Å; I260-S262 VanDerWaalsContact C-N 3.32Å
263L87.8Confident90.7Very high30 Ų3080.3 Ų80.316%0.15741%0.409CS..SBendtrans-74.1142.8179.2-68.1175.4000112.4M237 Y259 I260 R261 K265M237-L263 HydrophobicContact CE-CD1 3.35Å; M237-L263 HydrophobicContact SD-CD1 3.85Å; Y259-L263 HydrophobicContact CD1-CD1 4.27Å; Y259-L263 HydrophobicContact CE1-CD1 3.77Å; Y259-L263 HydrophobicContact CE1-CD2 4.38Å; Y259-L263 HydrophobicContact CE1-CG 4.27Å; Y259-L263 WeakPolarHBondContact O-CG 3.44Å; Y259-L263 PolarHBondContact O-N 3.06Å; I260-L263 HydrophobicContact CD1-CD1 4.03Å; I260-L263 PolarHBondContact O-N 3.23Å; R261-L263 VanDerWaalsContact C-N 3.35Å; L263-K265 PolarHBondContact O-N 3.24Å
264P90.6Very high91.3Very high103 Ų10380.4 Ų80.467%0.66941%0.405SS*.PPolyproline II helixtrans-57.1136.9170-22.232.7000111.1T242 V266T242-P264 WeakPolarHBondContact CG2-O 3.39Å; P264-V266 PolarHBondContact O-N 3.04Å
265K92Very high91.9Very high135 Ų13575.8 Ų75.859%0.58738%0.383SS*.PPolyproline II helixtrans-69.2130177.4-64.7-59-173.9-174.50110.7T242 L263T242-K265 WeakPolarHBondContact OG1-CD 3.2Å; L263-K265 PolarHBondContact O-N 3.24Å
266V94Very high92.4Very high58 Ų5874.3 Ų74.335%0.35238%0.383SS..  trans-124.8127.1179.1-177.40000108.2G241 T242 P264G241-V266 CarbonylContact C-O 3.56Å; G241-V266 WeakPolarHBondContact CA-O 3.49Å; T242-V266 HydrophobicContact CG2-CB 4.2Å; T242-V266 HydrophobicContact CG2-CG2 4.31Å; T242-V266 PolarHBondContact N-O 3.06Å; T242-V266 PolarHBondContact OG1-N 3.32Å; T242-V266 VanDerWaalsContact OG1-N 3.14Å; T242-V266 PolarHBondContact OG1-O 3.35Å; P264-V266 PolarHBondContact O-N 3.04Å
267P94.8Very high92.9Very high106 Ų10683.2 Ų83.269%0.68842%0.419SS*.PPolyproline II helixtrans-70.1151175.829.2-34000111.3K269P267-K269 PolarHBondContact O-N 3.43Å
268K95.4Very high93.3Very high110 Ų11082.6 Ų82.648%0.47842%0.42SS..PPolyproline II helixtrans-60134.7170.2-176.6-169166.6-162.50108.8T240 E287T240-K268 WeakPolarHBondContact O-CB 3.39Å; K268-E287 IonicContact NZ-OE1 3.42Å; K268-E287 PolarHBondContact NZ-OE1 2.87Å
269K96.3Very high93.7Very high108 Ų10880.3 Ų80.347%0.4741%0.411SS..PPolyproline II helixtrans-77.2147.1171.8-71.5-173175.6175.80110.8K238 I239 P267 L271 I274K238-K269 VanDerWaalsContact O-CD 3.25Å; K238-K269 WeakPolarHBondContact O-CD 3.42Å; K238-K269 WeakPolarHBondContact O-CE 3.23Å; I239-K269 PolarHBondContact O-N 3.24Å; P267-K269 PolarHBondContact O-N 3.43Å; K269-L271 PolarHBondContact O-N 2.67Å; K269-I274 HydrophobicContact CB-CD1 3.91Å; K269-I274 HydrophobicContact CD-CD1 3.95Å
270D96.7Very high94.3Very high91 Ų9180.6 Ų80.649%0.48742%0.422SS..PPolyproline II helixtrans-69.2119167-178.11.1000109.7H272 F273 I274D270-H272 VanDerWaalsContact C-N 3.31Å; D270-H272 WeakPolarHBondContact OD1-CB 3.44Å; D270-H272 IonicContact OD1-CD2 3.61Å; D270-H272 IonicContact OD1-CG 3.92Å; D270-H272 PolarHBondContact OD1-N 3.17Å; D270-F273 HydrophobicContact CB-CB 4.44Å; D270-F273 PolarHBondContact O-N 3Å; D270-I274 PolarHBondContact O-N 2.83Å
271L97.4Very high94.8Very high4 Ų484.1 Ų84.12%0.02144%0.441CS..Hα-helixtrans-70.9-26.7179.3-64.9-160.4000111.8I239 K269 F273 I274 F275 V283 L286 E287I239-L271 HydrophobicContact CG2-CD2 3.6Å; K269-L271 PolarHBondContact O-N 2.67Å; L271-F273 PolarHBondContact O-N 2.84Å; L271-I274 HydrophobicContact CD2-CD1 3.9Å; L271-I274 PolarHBondContact O-N 2.93Å; L271-I274 VanDerWaalsContact O-N 3.12Å; L271-F275 HydrophobicContact CB-CD2 4.09Å; L271-F275 HydrophobicContact CB-CE2 4.4Å; L271-F275 HydrophobicContact CD1-CE2 4.41Å; L271-F275 HydrophobicContact CD2-CE2 4.25Å; L271-F275 VanDerWaalsContact O-CD2 3.29Å; L271-F275 WeakPolarHBondContact O-CD2 3.33Å; L271-F275 PolarHBondContact O-N 2.87Å; L271-V283 HydrophobicContact CB-CG1 3.64Å; L271-L286 HydrophobicContact CD1-CB 4.04Å; L271-E287 HydrophobicContact CB-CG 4.17Å; L271-E287 HydrophobicContact CD1-CG 3.68Å; L271-E287 HydrophobicContact CG-CG 4.03Å
272H97.3Very high95.3Very high71 Ų7177.5 Ų77.533%0.32942%0.416SS..Hα-helixtrans-62.4-33.2175.4-73-82.8000111.7D270 F275 S276 S280D270-H272 VanDerWaalsContact C-N 3.31Å; D270-H272 WeakPolarHBondContact OD1-CB 3.44Å; D270-H272 IonicContact OD1-CD2 3.61Å; D270-H272 IonicContact OD1-CG 3.92Å; D270-H272 PolarHBondContact OD1-N 3.17Å; H272-F275 CarbonylContact O-C 3.44Å; H272-S276 VanDerWaalsContact O-CA 3.26Å; H272-S276 WeakPolarHBondContact O-CA 3.49Å; H272-S276 PolarHBondContact O-N 3.08Å; H272-S280 PolarHBondContact CE1-OG 3.49Å
273F96.6Very high95.7Very high173 Ų17373.2 Ų73.276%0.75939%0.386SS*.Hα-helixtrans-70.1-40.6174-176.1-97.9000112.4D270 L271D270-F273 HydrophobicContact CB-CB 4.44Å; D270-F273 PolarHBondContact O-N 3Å; L271-F273 PolarHBondContact O-N 2.84Å
274I96.5Very high96.2Very high44 Ų4473.9 Ų73.923%0.22639%0.392CS..Hα-helixtrans-68.6-41.4179.5-62.3177.5000110.9I239 K269 D270 L271I239-I274 HydrophobicContact CG1-CD1 4.21Å; I239-I274 HydrophobicContact CG2-CD1 3.9Å; K269-I274 HydrophobicContact CB-CD1 3.91Å; K269-I274 HydrophobicContact CD-CD1 3.95Å; D270-I274 PolarHBondContact O-N 2.83Å; L271-I274 HydrophobicContact CD2-CD1 3.9Å; L271-I274 PolarHBondContact O-N 2.93Å; L271-I274 VanDerWaalsContact O-N 3.12Å
275F97.3Very high96.5Very high6 Ų669 Ų693%0.02636%0.361CS..THydrogen-bonded Turntrans-107.245.4-176.8-59.5-83.8000111.1A215 L218 L219 L223 L271 H272 K277 A278 V283 L286A215-F275 HydrophobicContact CB-CE1 3.78Å; A215-F275 HydrophobicContact CB-CZ 3.62Å; L218-F275 HydrophobicContact CB-CD1 4.2Å; L218-F275 HydrophobicContact CB-CE1 4.48Å; L218-F275 HydrophobicContact CD1-CD1 4.35Å; L219-F275 HydrophobicContact CD1-CD1 4.33Å; L219-F275 HydrophobicContact CD1-CE1 3.55Å; L219-F275 HydrophobicContact CD1-CZ 3.99Å; L219-F275 HydrophobicContact CD2-CD1 3.99Å; L219-F275 HydrophobicContact CD2-CE1 4.05Å; L219-F275 HydrophobicContact CG-CD1 3.95Å; L219-F275 HydrophobicContact CG-CE1 3.56Å; L219-F275 HydrophobicContact CG-CZ 4.46Å; L223-F275 HydrophobicContact CD1-CZ 4.01Å; L271-F275 HydrophobicContact CB-CD2 4.09Å; L271-F275 HydrophobicContact CB-CE2 4.4Å; L271-F275 HydrophobicContact CD1-CE2 4.41Å; L271-F275 HydrophobicContact CD2-CE2 4.25Å; L271-F275 VanDerWaalsContact O-CD2 3.29Å; L271-F275 WeakPolarHBondContact O-CD2 3.33Å; L271-F275 PolarHBondContact O-N 2.87Å; H272-F275 CarbonylContact O-C 3.44Å; F275-K277 PolarHBondContact O-N 3.13Å; F275-A278 HydrophobicContact CB-CB 4.06Å; F275-A278 WeakPolarHBondContact O-CB 3.28Å; F275-A278 PolarHBondContact O-N 3.06Å; F275-V283 HydrophobicContact CB-CG2 3.84Å; F275-L286 HydrophobicContact CD1-CD1 4Å; F275-L286 HydrophobicContact CD2-CD1 3.87Å; F275-L286 HydrophobicContact CE1-CD1 3.81Å; F275-L286 HydrophobicContact CE2-CD1 3.71Å; F275-L286 HydrophobicContact CG-CD1 4.04Å; F275-L286 HydrophobicContact CZ-CD1 3.68Å
276S95.9Very high96.8Very high95 Ų9562.6 Ų62.666%0.66433%0.333SS*.THydrogen-bonded Turntrans-61.5-13.2-174.458.70000115.7H272H272-S276 VanDerWaalsContact O-CA 3.26Å; H272-S276 WeakPolarHBondContact O-CA 3.49Å; H272-S276 PolarHBondContact O-N 3.08Å
277K94.8Very high97Very high203 Ų20362.4 Ų62.488%0.88333%0.328SS*.THydrogen-bonded Turntrans-97.9-9.2175.4-62-174.6179.1-175.10113.7F275F275-K277 PolarHBondContact O-N 3.13Å
278A96.8Very high97.2Very high22 Ų2262.2 Ų62.218%0.18231%0.314CS..SBendtrans-91.2155.3179.700000110.6L218 F275 A282 V283L218-A278 HydrophobicContact CD1-CB 4.26Å; L218-A278 HydrophobicContact CD2-CB 4.23Å; F275-A278 HydrophobicContact CB-CB 4.06Å; F275-A278 WeakPolarHBondContact O-CB 3.28Å; F275-A278 PolarHBondContact O-N 3.06Å; A278-A282 HydrophobicContact CB-CB 4.22Å; A278-V283 HydrophobicContact CB-CG2 4.28Å
279S97.1Very high97.3Very high33 Ų3357 Ų5723%0.23129%0.291CS..  trans-63.2156.1172.864.70000112Q125 D281 A282 V283Q125-S279 VanDerWaalsContact NE2-CB 3.27Å; Q125-S279 PolarHBondContact NE2-OG 3.07Å; Q125-S279 VanDerWaalsContact NE2-OG 3.1Å; S279-D281 PolarHBondContact O-N 3.08Å; S279-A282 PolarHBondContact O-N 3.01Å; S279-A282 WeakPolarHBondContact OG-CB 3.33Å; S279-A282 PolarHBondContact OG-N 3.01Å; S279-V283 WeakPolarHBondContact O-CG2 3.34Å; S279-V283 PolarHBondContact O-N 3.34Å; S279-V283 VanDerWaalsContact O-N 3.16Å
280S97.7Very high97.4Very high70 Ų7052.4 Ų52.449%0.4927%0.272SS..Hα-helixtrans-55.7-41.8174.9-168.30000111.5H272 A282 V283 C284H272-S280 PolarHBondContact CE1-OG 3.49Å; S280-A282 PolarHBondContact O-N 2.95Å; S280-V283 PolarHBondContact O-N 3.04Å; S280-C284 PolarHBondContact O-N 2.88Å; S280-C284 PolarHBondContact O-SG 3.5Å
281D97.9Very high97.3Very high75 Ų7549.8 Ų49.840%0.40126%0.257SS..Hα-helixtrans-63.9-40.3-179.8-63.4-37000112.5S279 V283 C284 V285 F308S279-D281 PolarHBondContact O-N 3.08Å; D281-V283 VanDerWaalsContact C-N 3.32Å; D281-V283 PolarHBondContact O-N 2.95Å; D281-C284 PolarHBondContact O-N 3.3Å; D281-V285 WeakPolarHBondContact O-CG2 3.33Å; D281-V285 PolarHBondContact O-N 2.89Å; D281-F308 HydrophobicContact CB-CB 3.88Å; D281-F308 HydrophobicContact CB-CD2 4.04Å; D281-F308 HydrophobicContact CB-CG 4.42Å
282A98.1Very high97Very high0 Ų050.4 Ų50.40%026%0.261CS..Hα-helixtrans-61.5-42175.300000111.5M214 L218 A278 S279 S280 V285 L286 F308M214-A282 HydrophobicContact CE-CB 3.8Å; M214-A282 WeakPolarHBondContact CE-O 3.4Å; L218-A282 HydrophobicContact CD1-CB 4.44Å; A278-A282 HydrophobicContact CB-CB 4.22Å; S279-A282 PolarHBondContact O-N 3.01Å; S279-A282 WeakPolarHBondContact OG-CB 3.33Å; S279-A282 PolarHBondContact OG-N 3.01Å; S280-A282 PolarHBondContact O-N 2.95Å; A282-V285 PolarHBondContact O-N 3.26Å; A282-L286 PolarHBondContact O-N 2.91Å; A282-L286 VanDerWaalsContact O-N 3.15Å; A282-F308 HydrophobicContact CB-CD2 3.92Å; A282-F308 HydrophobicContact CB-CE2 3.57Å; A282-F308 HydrophobicContact CB-CZ 3.93Å
283V98.3Very high96.7Very high0 Ų048 Ų480%025%0.25CC..Hα-helixtrans-66.4-42.5177-179.60000111.1L271 F275 A278 S279 S280 D281 V285 L286 E287L271-V283 HydrophobicContact CB-CG1 3.64Å; F275-V283 HydrophobicContact CB-CG2 3.84Å; A278-V283 HydrophobicContact CB-CG2 4.28Å; S279-V283 WeakPolarHBondContact O-CG2 3.34Å; S279-V283 PolarHBondContact O-N 3.34Å; S279-V283 VanDerWaalsContact O-N 3.16Å; S280-V283 PolarHBondContact O-N 3.04Å; D281-V283 VanDerWaalsContact C-N 3.32Å; D281-V283 PolarHBondContact O-N 2.95Å; V283-V285 VanDerWaalsContact C-N 3.31Å; V283-V285 PolarHBondContact O-N 3.38Å; V283-L286 WeakPolarHBondContact O-CB 3.08Å; V283-L286 PolarHBondContact O-N 2.64Å; V283-L286 VanDerWaalsContact O-N 3.13Å; V283-E287 HydrophobicContact CG1-CG 4.43Å; V283-E287 WeakPolarHBondContact O-CG 3.47Å; V283-E287 PolarHBondContact O-N 3.42Å
284C98.2Very high96.5Very high44 Ų4440.1 Ų40.130%0.29722%0.216SC..Hα-helixtrans-58.7-41.2175.9-68.90000112.1S280 D281 E287 R288 M306S280-C284 PolarHBondContact O-N 2.88Å; S280-C284 PolarHBondContact O-SG 3.5Å; D281-C284 PolarHBondContact O-N 3.3Å; C284-E287 PolarHBondContact O-N 3.11Å; C284-R288 WeakPolarHBondContact O-CG 3.35Å; C284-R288 PolarHBondContact O-N 3.07Å; C284-M306 HydrophobicContact CB-CE 4.39Å
285V98.3Very high96.2Very high1 Ų144.7 Ų44.71%0.00624%0.237CC..Hα-helixtrans-60.1-48.3173.6173.70000111M214 D281 A282 V283 E287 R288 M289 M306 F308 F309M214-V285 HydrophobicContact CE-CB 4.19Å; M214-V285 HydrophobicContact CE-CG1 4.25Å; M214-V285 HydrophobicContact SD-CB 4.35Å; M214-V285 HydrophobicContact SD-CG1 3.81Å; D281-V285 WeakPolarHBondContact O-CG2 3.33Å; D281-V285 PolarHBondContact O-N 2.89Å; A282-V285 PolarHBondContact O-N 3.26Å; V283-V285 VanDerWaalsContact C-N 3.31Å; V283-V285 PolarHBondContact O-N 3.38Å; V285-E287 VanDerWaalsContact C-N 3.31Å; V285-E287 PolarHBondContact O-N 3.01Å; V285-R288 PolarHBondContact O-N 2.87Å; V285-R288 VanDerWaalsContact O-N 3.11Å; V285-M289 HydrophobicContact CG1-CE 3.53Å; V285-M289 HydrophobicContact CG1-CG 4.36Å; V285-M289 HydrophobicContact CG1-SD 3.85Å; V285-M289 WeakPolarHBondContact O-CG 3.4Å; V285-M289 PolarHBondContact O-N 2.86Å; V285-M306 HydrophobicContact CB-CE 4.31Å; V285-M306 HydrophobicContact CB-SD 4.46Å; V285-M306 HydrophobicContact CG2-CB 4.08Å; V285-M306 HydrophobicContact CG2-CE 3.77Å; V285-M306 HydrophobicContact CG2-SD 3.92Å; V285-F308 HydrophobicContact CG2-CB 3.52Å; V285-F308 HydrophobicContact CG2-CD1 4.06Å; V285-F308 HydrophobicContact CG2-CG 4.09Å; V285-F309 HydrophobicContact CG1-CE2 4.22Å; V285-F309 HydrophobicContact CG1-CZ 4.17Å; V285-F309 HydrophobicContact CG2-CE2 4.05Å; V285-F309 HydrophobicContact CG2-CZ 4.44Å
286L98.6Very high96Very high0 Ų052.3 Ų52.30%027%0.265CS..Hα-helixtrans-58.5-41.2177.3-73.3172.6000112.5G211 M214 A215 L218 L271 F275 A282 V283 R288 M289 L290G211-L286 VanDerWaalsContact O-CD2 3.27Å; G211-L286 WeakPolarHBondContact O-CD2 3.49Å; M214-L286 HydrophobicContact CB-CD2 3.99Å; M214-L286 HydrophobicContact CE-CG 4.32Å; M214-L286 HydrophobicContact CG-CD2 3.92Å; M214-L286 HydrophobicContact CG-CG 4.4Å; M214-L286 HydrophobicContact SD-CD2 4Å; M214-L286 HydrophobicContact SD-CG 4.14Å; A215-L286 HydrophobicContact CB-CD2 4.04Å; L218-L286 HydrophobicContact CD1-CD1 3.94Å; L271-L286 HydrophobicContact CD1-CB 4.04Å; F275-L286 HydrophobicContact CD1-CD1 4Å; F275-L286 HydrophobicContact CD2-CD1 3.87Å; F275-L286 HydrophobicContact CE1-CD1 3.81Å; F275-L286 HydrophobicContact CE2-CD1 3.71Å; F275-L286 HydrophobicContact CG-CD1 4.04Å; F275-L286 HydrophobicContact CZ-CD1 3.68Å; A282-L286 PolarHBondContact O-N 2.91Å; A282-L286 VanDerWaalsContact O-N 3.15Å; V283-L286 WeakPolarHBondContact O-CB 3.08Å; V283-L286 PolarHBondContact O-N 2.64Å; V283-L286 VanDerWaalsContact O-N 3.13Å; L286-R288 VanDerWaalsContact C-N 3.26Å; L286-R288 PolarHBondContact O-N 3.3Å; L286-M289 PolarHBondContact O-N 3.11Å; L286-L290 HydrophobicContact CB-CD1 4.4Å; L286-L290 HydrophobicContact CD2-CD1 4.15Å; L286-L290 VanDerWaalsContact O-CB 3.29Å; L286-L290 WeakPolarHBondContact O-CB 3.41Å; L286-L290 WeakPolarHBondContact O-CG 3.28Å; L286-L290 PolarHBondContact O-N 2.87Å
287E98Very high96Very high55 Ų5548.2 Ų48.226%0.25724%0.235SC..Hα-helixtrans-64.5-29.9177.8-71.9-156.7117.400113.5K268 L271 V283 C284 V285 L291K268-E287 IonicContact NZ-OE1 3.42Å; K268-E287 PolarHBondContact NZ-OE1 2.87Å; L271-E287 HydrophobicContact CB-CG 4.17Å; L271-E287 HydrophobicContact CD1-CG 3.68Å; L271-E287 HydrophobicContact CG-CG 4.03Å; V283-E287 HydrophobicContact CG1-CG 4.43Å; V283-E287 WeakPolarHBondContact O-CG 3.47Å; V283-E287 PolarHBondContact O-N 3.42Å; C284-E287 PolarHBondContact O-N 3.11Å; V285-E287 VanDerWaalsContact C-N 3.31Å; V285-E287 PolarHBondContact O-N 3.01Å; E287-L291 WeakPolarHBondContact O-CD2 3.1Å; E287-L291 WeakPolarHBondContact O-CG 3.45Å
288R98.3Very high96.1Very high102 Ų10238.7 Ų38.739%0.38519%0.194SC..Hα-helixtrans-82-25.9176.9-66.3-62.5-71133.4-1112.8C284 V285 L286 R296 V298 M306C284-R288 WeakPolarHBondContact O-CG 3.35Å; C284-R288 PolarHBondContact O-N 3.07Å; V285-R288 PolarHBondContact O-N 2.87Å; V285-R288 VanDerWaalsContact O-N 3.11Å; L286-R288 VanDerWaalsContact C-N 3.26Å; L286-R288 PolarHBondContact O-N 3.3Å; R288-R296 PolarHBondContact NH1-O 3.06Å; R288-R296 VanDerWaalsContact NH1-O 3.1Å; R288-V298 HydrophobicContact CB-CG1 3.75Å; R288-V298 HydrophobicContact CB-CG2 4.01Å; R288-V298 HydrophobicContact CG-CG1 4.33Å; R288-V298 PolarHBondContact O-N 2.95Å; R288-M306 HydrophobicContact CB-CE 4.24Å; R288-M306 HydrophobicContact CB-SD 4.18Å; R288-M306 HydrophobicContact CG-CE 3.74Å; R288-M306 HydrophobicContact CG-SD 4.19Å
289M98.4Very high96.2Very high0 Ų038.8 Ų38.80%019%0.194CC..Hα-helixtrans-87-41177.2-65.6-177.5171.900113.3L136 I207 V210 V285 L286 L291 R297 V298 A303L136-M289 HydrophobicContact CD1-CE 3.85Å; L136-M289 HydrophobicContact CD2-CE 3.78Å; L136-M289 HydrophobicContact CG-CE 4.3Å; I207-M289 HydrophobicContact CG2-CB 3.97Å; I207-M289 HydrophobicContact CG2-CG 3.67Å; V210-M289 HydrophobicContact CB-SD 4.28Å; V210-M289 HydrophobicContact CG1-CE 3.98Å; V210-M289 HydrophobicContact CG1-SD 3.93Å; V285-M289 HydrophobicContact CG1-CE 3.53Å; V285-M289 HydrophobicContact CG1-CG 4.36Å; V285-M289 HydrophobicContact CG1-SD 3.85Å; V285-M289 WeakPolarHBondContact O-CG 3.4Å; V285-M289 PolarHBondContact O-N 2.86Å; L286-M289 PolarHBondContact O-N 3.11Å; M289-L291 VanDerWaalsContact C-N 3.29Å; M289-L291 PolarHBondContact O-N 3.42Å; M289-L291 VanDerWaalsContact O-N 3.14Å; M289-R297 WeakPolarHBondContact O-CD 3.48Å; M289-V298 HydrophobicContact CG-CG2 4.18Å; M289-A303 HydrophobicContact CE-CB 3.89Å
290L97.6Very high96.3Very high12 Ų1237.3 Ų37.36%0.06318%0.183CC..SBendtrans-90.949.4-172.3-63175.8000112.9W208 L223 F224 L286W208-L290 HydrophobicContact CD2-CD2 4.29Å; W208-L290 HydrophobicContact CE3-CD2 4.32Å; W208-L290 HydrophobicContact CZ3-CB 4.46Å; W208-L290 HydrophobicContact CZ3-CD2 4.45Å; L223-L290 HydrophobicContact CD2-CD1 3.58Å; F224-L290 HydrophobicContact CE2-CD2 4.19Å; L286-L290 HydrophobicContact CB-CD1 4.4Å; L286-L290 HydrophobicContact CD2-CD1 4.15Å; L286-L290 VanDerWaalsContact O-CB 3.29Å; L286-L290 WeakPolarHBondContact O-CB 3.41Å; L286-L290 WeakPolarHBondContact O-CG 3.28Å; L286-L290 PolarHBondContact O-N 2.87Å
291L94.8Very high96.3Very high35 Ų3536.3 Ų36.318%0.18318%0.176CC..  trans-97.2135.6175.8-63.3172.7000111E287 M289 D293 R296 R297E287-L291 WeakPolarHBondContact O-CD2 3.1Å; E287-L291 WeakPolarHBondContact O-CG 3.45Å; M289-L291 VanDerWaalsContact C-N 3.29Å; M289-L291 PolarHBondContact O-N 3.42Å; M289-L291 VanDerWaalsContact O-N 3.14Å; L291-D293 VanDerWaalsContact C-N 3.31Å; L291-D293 PolarHBondContact O-N 3.16Å; L291-R296 HydrophobicContact CD1-CB 3.99Å; L291-R296 WeakPolarHBondContact CD1-O 3.36Å; L291-R297 HydrophobicContact CB-CG 3.86Å; L291-R297 PolarHBondContact O-NE 3.21Å; L291-R297 PolarHBondContact O-NH2 3.25Å
292L91.6Very high96.3Very high18 Ų1837.8 Ų37.89%0.09418%0.181CC..SBendtrans-62-41.1175.6-72.3175000111.7P192 I236 T240 P243 P294 R297P192-L292 HydrophobicContact CG-CD2 4.04Å; I236-L292 HydrophobicContact CG2-CD2 3.86Å; T240-L292 HydrophobicContact CG2-CD2 4.41Å; T240-L292 HydrophobicContact CG2-CG 4.37Å; P243-L292 HydrophobicContact CB-CD1 4.25Å; P243-L292 HydrophobicContact CG-CD1 4Å; L292-P294 VanDerWaalsContact O-CD 3.27Å; L292-P294 WeakPolarHBondContact O-CD 3.27Å; L292-R297 PolarHBondContact O-NH2 2.89Å
293D90.6Very high96.3Very high19 Ų1937.8 Ų37.810%0.10218%0.181CC..SBendtrans-76109.9177.6-168.7-16.5000110.9F247 K250 L291 E295 R296 R297F247-D293 HydrophobicContact CD2-CB 3.75Å; F247-D293 HydrophobicContact CE2-CB 4.01Å; K250-D293 IonicContact NZ-OD1 2.64Å; K250-D293 IonicContact NZ-OD2 2.96Å; K250-D293 PolarHBondContact NZ-OD2 2.91Å; L291-D293 VanDerWaalsContact C-N 3.31Å; L291-D293 PolarHBondContact O-N 3.16Å; D293-E295 PolarHBondContact O-N 2.83Å; D293-E295 WeakPolarHBondContact OD1-CB 3.42Å; D293-E295 PolarHBondContact OD1-N 2.81Å; D293-E295 VanDerWaalsContact OD1-N 3.11Å; D293-R296 HydrophobicContact CB-CB 4.23Å; D293-R296 HydrophobicContact CB-CG 4.05Å; D293-R296 PolarHBondContact O-N 2.93Å; D293-R296 VanDerWaalsContact O-N 3.12Å; D293-R297 PolarHBondContact O-N 3.05Å
294P91Very high96.3Very high8 Ų837.8 Ų37.85%0.05218%0.181CC..THydrogen-bonded Turntrans-65.9-22.3-177.328-34.2000113.3T204 L292 R296T204-P294 PolarHBondContact OG1-O 2.99Å; L292-P294 VanDerWaalsContact O-CD 3.27Å; L292-P294 WeakPolarHBondContact O-CD 3.27Å; P294-R296 VanDerWaalsContact C-N 3.28Å
295E90.1Very high96.2Very high140 Ų14038.3 Ų38.365%0.65419%0.188SC*.THydrogen-bonded Turntrans-75.9-18.4177.1-62.4176.716900112.4K250 D293K250-E295 IonicContact NZ-OE2 3.91Å; K250-E295 PolarHBondContact NZ-OE2 2.92Å; D293-E295 PolarHBondContact O-N 2.83Å; D293-E295 WeakPolarHBondContact OD1-CB 3.42Å; D293-E295 PolarHBondContact OD1-N 2.81Å; D293-E295 VanDerWaalsContact OD1-N 3.11Å
296R93.4Very high96.2Very high167 Ų16739.6 Ų39.663%0.6320%0.195SC*.THydrogen-bonded Turntrans-98.4-11.6-179.9-62.7-175.565.9-175.10.2113.5R288 L291 D293 P294R288-R296 PolarHBondContact NH1-O 3.06Å; R288-R296 VanDerWaalsContact NH1-O 3.1Å; L291-R296 HydrophobicContact CD1-CB 3.99Å; L291-R296 WeakPolarHBondContact CD1-O 3.36Å; D293-R296 HydrophobicContact CB-CB 4.23Å; D293-R296 HydrophobicContact CB-CG 4.05Å; D293-R296 PolarHBondContact O-N 2.93Å; D293-R296 VanDerWaalsContact O-N 3.12Å; P294-R296 VanDerWaalsContact C-N 3.28Å
297R96.3Very high96.2Very high8 Ų843.5 Ų43.53%0.0322%0.22CC..SBendtrans-66.7142.3174.4-70.4-179-146.4145.910.7109.6E193 T204 M289 L291 L292 D293E193-R297 IonicContact OE1-CZ 3.64Å; E193-R297 VanDerWaalsContact OE1-CZ 3.27Å; E193-R297 IonicContact OE1-NH1 3.33Å; E193-R297 PolarHBondContact OE1-NH1 2.88Å; E193-R297 IonicContact OE1-NH2 3.9Å; E193-R297 PolarHBondContact OE1-NH2 3.36Å; E193-R297 IonicContact OE2-CZ 2.79Å; E193-R297 IonicContact OE2-NH1 3.86Å; E193-R297 IonicContact OE2-NH2 2.92Å; E193-R297 PolarHBondContact OE2-NH2 3.07Å; T204-R297 HydrophobicContact CG2-CB 4.34Å; T204-R297 PolarHBondContact O-NH1 2.66Å; M289-R297 WeakPolarHBondContact O-CD 3.48Å; L291-R297 HydrophobicContact CB-CG 3.86Å; L291-R297 PolarHBondContact O-NE 3.21Å; L291-R297 PolarHBondContact O-NH2 3.25Å; L292-R297 PolarHBondContact O-NH2 2.89Å; D293-R297 PolarHBondContact O-N 3.05Å
298V98Very high96.2Very high4 Ų441.2 Ų41.22%0.02421%0.209CC..PPolyproline II helixtrans-62.5148.5169.7-690000110.6I207 R288 M289 E302 A303I207-V298 WeakPolarHBondContact CG1-O 3.47Å; I207-V298 HydrophobicContact CG2-CG2 4.18Å; I207-V298 WeakPolarHBondContact CG2-O 3.47Å; R288-V298 HydrophobicContact CB-CG1 3.75Å; R288-V298 HydrophobicContact CB-CG2 4.01Å; R288-V298 HydrophobicContact CG-CG1 4.33Å; R288-V298 PolarHBondContact O-N 2.95Å; M289-V298 HydrophobicContact CG-CG2 4.18Å; V298-E302 HydrophobicContact CB-CB 4.04Å; V298-E302 HydrophobicContact CG1-CB 4.26Å; V298-A303 HydrophobicContact CG2-CB 3.92Å
299S98.3Very high96.2Very high24 Ų2436.3 Ų36.317%0.16819%0.191CC..PPolyproline II helixtrans-75.3170.5162.762.20000111.2S301 E302 A303S299-S301 VanDerWaalsContact C-N 3.33Å; S299-S301 PolarHBondContact O-N 3.15Å; S299-E302 WeakPolarHBondContact CB-OE2 3.25Å; S299-E302 PolarHBondContact N-OE2 3.29Å; S299-E302 PolarHBondContact O-N 2.97Å; S299-E302 WeakPolarHBondContact OG-CB 3.35Å; S299-E302 VanDerWaalsContact OG-CG 3.26Å; S299-E302 WeakPolarHBondContact OG-CG 2.82Å; S299-E302 PolarHBondContact OG-N 2.77Å; S299-E302 PolarHBondContact OG-OE2 2.77Å; S299-A303 WeakPolarHBondContact O-CB 3.49Å; S299-A303 PolarHBondContact O-N 2.64Å
300A98.1Very high96Very high2 Ų240.5 Ų40.52%0.01722%0.22CC..Hα-helixtrans-59.5-44.417400000111.5L139 K140 I207 E302 A303 L304L139-A300 HydrophobicContact CB-CB 4.11Å; K140-A300 HydrophobicContact CB-CB 4.11Å; I207-A300 HydrophobicContact CD1-CB 4.05Å; A300-E302 PolarHBondContact O-N 2.9Å; A300-A303 PolarHBondContact O-N 2.82Å; A300-L304 WeakPolarHBondContact O-CG 3.37Å; A300-L304 PolarHBondContact O-N 3.02Å
301S97.6Very high95.9Very high48 Ų4846.4 Ų46.434%0.33625%0.247SC..Hα-helixtrans-61.8-42.9178-53.20000112.8S299 A305S299-S301 VanDerWaalsContact C-N 3.33Å; S299-S301 PolarHBondContact O-N 3.15Å; S301-A305 PolarHBondContact O-N 3.26Å
302E98.1Very high95.6Very high106 Ų10647.4 Ų47.450%0.49525%0.25SC..Hα-helixtrans-68.7-37.5176.7-70.7165.1135.700112V298 S299 A300 A305V298-E302 HydrophobicContact CB-CB 4.04Å; V298-E302 HydrophobicContact CG1-CB 4.26Å; S299-E302 WeakPolarHBondContact CB-OE2 3.25Å; S299-E302 PolarHBondContact N-OE2 3.29Å; S299-E302 PolarHBondContact O-N 2.97Å; S299-E302 WeakPolarHBondContact OG-CB 3.35Å; S299-E302 VanDerWaalsContact OG-CG 3.26Å; S299-E302 WeakPolarHBondContact OG-CG 2.82Å; S299-E302 PolarHBondContact OG-N 2.77Å; S299-E302 PolarHBondContact OG-OE2 2.77Å; A300-E302 PolarHBondContact O-N 2.9Å; E302-A305 PolarHBondContact O-N 3.1Å
303A98.3Very high95.8Very high0 Ų050.7 Ų50.70%026%0.261CS..Hα-helixtrans-64.9-42.8177.300000111.9L136 M289 V298 S299 A300 A305 M306 F309L136-A303 HydrophobicContact CD1-CB 3.77Å; L136-A303 HydrophobicContact CD2-CB 4.01Å; M289-A303 HydrophobicContact CE-CB 3.89Å; V298-A303 HydrophobicContact CG2-CB 3.92Å; S299-A303 WeakPolarHBondContact O-CB 3.49Å; S299-A303 PolarHBondContact O-N 2.64Å; A300-A303 PolarHBondContact O-N 2.82Å; A303-A305 PolarHBondContact O-N 3.12Å; A303-M306 VanDerWaalsContact O-CB 3.29Å; A303-M306 WeakPolarHBondContact O-CB 3.4Å; A303-M306 WeakPolarHBondContact O-CG 3.38Å; A303-M306 PolarHBondContact O-N 3.46Å; A303-F309 WeakPolarHBondContact O-CD2 3.45Å; A303-F309 VanDerWaalsContact O-CE2 3.24Å; A303-F309 WeakPolarHBondContact O-CE2 3.44Å
304L98.1Very high96Very high0 Ų054.6 Ų54.60%028%0.279CS..Hα-helixtrans-58.1-31.1176.5-74.3163.9000112.7Y133 L136 K140 A300 M306 R313 E318Y133-L304 HydrophobicContact CD2-CD2 3.44Å; Y133-L304 VanDerWaalsContact CD2-CD2 3.44Å; Y133-L304 HydrophobicContact CE2-CD2 3.5Å; Y133-L304 VanDerWaalsContact CE2-CD2 3.5Å; Y133-L304 HydrophobicContact CG-CD2 4.45Å; L136-L304 HydrophobicContact CB-CD1 4.44Å; L136-L304 HydrophobicContact CB-CD2 3.64Å; L136-L304 HydrophobicContact CB-CG 3.82Å; L136-L304 HydrophobicContact CD1-CD2 4.49Å; K140-L304 HydrophobicContact CB-CD1 4.19Å; K140-L304 HydrophobicContact CD-CD1 3.9Å; A300-L304 WeakPolarHBondContact O-CG 3.37Å; A300-L304 PolarHBondContact O-N 3.02Å; L304-M306 VanDerWaalsContact C-N 3.27Å; L304-M306 PolarHBondContact O-N 3.37Å; L304-R313 WeakPolarHBondContact O-CD 3.24Å; L304-R313 PolarHBondContact O-NE 3.36Å; L304-E318 HydrophobicContact CD1-CG 4.17Å
305A97.8Very high96.2Very high55 Ų5557.6 Ų57.646%0.45530%0.298SS..THydrogen-bonded Turntrans-79.9-1.4178.600000114.7S301 E302 A303S301-A305 PolarHBondContact O-N 3.26Å; E302-A305 PolarHBondContact O-N 3.1Å; A303-A305 PolarHBondContact O-N 3.12Å
306M98.1Very high96.5Very high29 Ų2958.2 Ų58.214%0.14330%0.301CS..SBendtrans-75.4150.1-179.5-64.4-17465.400112.2C284 V285 R288 A303 L304 F308 F309C284-M306 HydrophobicContact CB-CE 4.39Å; V285-M306 HydrophobicContact CB-CE 4.31Å; V285-M306 HydrophobicContact CB-SD 4.46Å; V285-M306 HydrophobicContact CG2-CB 4.08Å; V285-M306 HydrophobicContact CG2-CE 3.77Å; V285-M306 HydrophobicContact CG2-SD 3.92Å; R288-M306 HydrophobicContact CB-CE 4.24Å; R288-M306 HydrophobicContact CB-SD 4.18Å; R288-M306 HydrophobicContact CG-CE 3.74Å; R288-M306 HydrophobicContact CG-SD 4.19Å; A303-M306 VanDerWaalsContact O-CB 3.29Å; A303-M306 WeakPolarHBondContact O-CB 3.4Å; A303-M306 WeakPolarHBondContact O-CG 3.38Å; A303-M306 PolarHBondContact O-N 3.46Å; L304-M306 VanDerWaalsContact C-N 3.27Å; L304-M306 PolarHBondContact O-N 3.37Å; M306-F308 PolarHBondContact O-N 2.98Å; M306-F309 PolarHBondContact O-N 3.34Å
307P97.9Very high96.5Very high81 Ų8153.3 Ų53.353%0.52629%0.286SS..G310 helixtrans-53.7-32.7-175.5-29.235.9000114.9F309 S310P307-F309 PolarHBondContact O-N 3.05Å; P307-S310 WeakPolarHBondContact O-CB 3.41Å; P307-S310 PolarHBondContact O-N 3.41Å; P307-S310 VanDerWaalsContact O-N 3.1Å; P307-S310 PolarHBondContact O-OG 3.36Å
308F97.9Very high96.5Very high7 Ų753.5 Ų53.53%0.03129%0.287CS..G310 helixtrans-55.1-27.4178.9-173.6-121.1000113.2Q125 Q129 M214 D281 A282 V285 M306Q125-F308 HydrophobicContact CG-CE2 4.25Å; Q125-F308 HydrophobicContact CG-CZ 4.47Å; Q129-F308 HydrophobicContact CB-CE1 3.87Å; Q129-F308 HydrophobicContact CB-CE2 4.15Å; Q129-F308 HydrophobicContact CB-CZ 3.58Å; Q129-F308 HydrophobicContact CG-CD1 4.25Å; Q129-F308 HydrophobicContact CG-CD2 4.48Å; Q129-F308 HydrophobicContact CG-CE1 3.96Å; Q129-F308 HydrophobicContact CG-CE2 4.19Å; Q129-F308 HydrophobicContact CG-CZ 3.92Å; Q129-F308 WeakPolarHBondContact CG-O 3.08Å; Q129-F308 PolarHBondContact NE2-O 3.22Å; M214-F308 HydrophobicContact CE-CD1 3.92Å; M214-F308 HydrophobicContact CE-CE1 3.46Å; M214-F308 VanDerWaalsContact CE-CE1 3.46Å; M214-F308 HydrophobicContact CE-CZ 3.92Å; D281-F308 HydrophobicContact CB-CB 3.88Å; D281-F308 HydrophobicContact CB-CD2 4.04Å; D281-F308 HydrophobicContact CB-CG 4.42Å; A282-F308 HydrophobicContact CB-CD2 3.92Å; A282-F308 HydrophobicContact CB-CE2 3.57Å; A282-F308 HydrophobicContact CB-CZ 3.93Å; V285-F308 HydrophobicContact CG2-CB 3.52Å; V285-F308 HydrophobicContact CG2-CD1 4.06Å; V285-F308 HydrophobicContact CG2-CG 4.09Å; M306-F308 PolarHBondContact O-N 2.98Å
309F97.8Very high96.5Very high0 Ų056.4 Ų56.40%030%0.304CS..G310 helixtrans-100.2-0.8-177.3-56.4-66.5000114.2Q129 V132 Y133 L136 V285 A303 M306 P307 E311 F312 R313Q129-F309 HydrophobicContact CG-CD1 4.26Å; V132-F309 HydrophobicContact CB-CE1 3.96Å; V132-F309 HydrophobicContact CB-CZ 4.33Å; V132-F309 HydrophobicContact CG1-CE1 3.73Å; V132-F309 HydrophobicContact CG1-CZ 3.59Å; Y133-F309 HydrophobicContact CD2-CB 4.04Å; Y133-F309 HydrophobicContact CD2-CD1 4.34Å; Y133-F309 HydrophobicContact CD2-CG 4.32Å; L136-F309 HydrophobicContact CD1-CD2 4.39Å; L136-F309 HydrophobicContact CD1-CE1 4.25Å; L136-F309 HydrophobicContact CD1-CE2 3.56Å; L136-F309 HydrophobicContact CD1-CZ 3.47Å; L136-F309 VanDerWaalsContact CD1-CZ 3.47Å; V285-F309 HydrophobicContact CG1-CE2 4.22Å; V285-F309 HydrophobicContact CG1-CZ 4.17Å; V285-F309 HydrophobicContact CG2-CE2 4.05Å; V285-F309 HydrophobicContact CG2-CZ 4.44Å; A303-F309 WeakPolarHBondContact O-CD2 3.45Å; A303-F309 VanDerWaalsContact O-CE2 3.24Å; A303-F309 WeakPolarHBondContact O-CE2 3.44Å; M306-F309 PolarHBondContact O-N 3.34Å; P307-F309 PolarHBondContact O-N 3.05Å; F309-E311 VanDerWaalsContact C-N 3.26Å; F309-E311 PolarHBondContact O-N 3.04Å; F309-E311 VanDerWaalsContact O-N 3.12Å; F309-F312 PolarHBondContact O-N 3.24Å; F309-F312 VanDerWaalsContact O-N 3.16Å; F309-R313 WeakPolarHBondContact O-CB 3.42Å; F309-R313 PolarHBondContact O-N 2.91Å; F309-R313 VanDerWaalsContact O-N 3.13Å
310S95.6Very high96.5Very high88 Ų8861.5 Ų61.562%0.61533%0.326SS*.THydrogen-bonded Turntrans-54.9-34.3-170.654.40000115.2P307P307-S310 WeakPolarHBondContact O-CB 3.41Å; P307-S310 PolarHBondContact O-N 3.41Å; P307-S310 VanDerWaalsContact O-N 3.1Å; P307-S310 PolarHBondContact O-OG 3.36Å
311E94.3Very high96.4Very high135 Ų13562.1 Ų62.163%0.63133%0.331SS*.THydrogen-bonded Turntrans-66.2-35.8-178.8-173.4177.5170.300113.8F309F309-E311 VanDerWaalsContact C-N 3.26Å; F309-E311 PolarHBondContact O-N 3.04Å; F309-E311 VanDerWaalsContact O-N 3.12Å
312F89.8Confident96.2Very high56 Ų5667.7 Ų67.725%0.24635%0.352CS..THydrogen-bonded Turntrans-107.83.1-176.3-57-67000113Q129 F130 Y133 F309 E314Q129-F312 HydrophobicContact CB-CD2 4.41Å; Q129-F312 HydrophobicContact CB-CE2 4.13Å; Q129-F312 VanDerWaalsContact CD-CE2 3.43Å; Q129-F312 HydrophobicContact CG-CD2 3.83Å; Q129-F312 HydrophobicContact CG-CE2 3.9Å; F130-F312 HydrophobicContact CB-CD2 4.37Å; F130-F312 HydrophobicContact CB-CE2 4.27Å; F130-F312 HydrophobicContact CD2-CB 4.32Å; F130-F312 HydrophobicContact CD2-CD1 4.04Å; F130-F312 HydrophobicContact CD2-CD2 4.47Å; F130-F312 HydrophobicContact CD2-CG 4.02Å; Y133-F312 HydrophobicContact CD1-CB 4.4Å; Y133-F312 WeakPolarHBondContact CE1-O 3.41Å; F309-F312 PolarHBondContact O-N 3.24Å; F309-F312 VanDerWaalsContact O-N 3.16Å; F312-E314 PolarHBondContact O-N 2.71Å
313R95.1Very high95.9Very high87 Ų8767.4 Ų67.433%0.32836%0.361SS..  trans-79.2118.4-169.7-172.2178.4-173.3-150.7-2.3110.9Y133 L304 F309 P315 E318Y133-R313 HydrophobicContact CE2-CB 4.27Å; Y133-R313 HydrophobicContact CE2-CG 4.15Å; L304-R313 WeakPolarHBondContact O-CD 3.24Å; L304-R313 PolarHBondContact O-NE 3.36Å; F309-R313 WeakPolarHBondContact O-CB 3.42Å; F309-R313 PolarHBondContact O-N 2.91Å; F309-R313 VanDerWaalsContact O-N 3.13Å; R313-P315 HydrophobicContact CG-CG 4.49Å; R313-E318 WeakPolarHBondContact CG-OE1 3.21Å; R313-E318 IonicContact CZ-OE1 3.98Å; R313-E318 IonicContact NE-OE1 3.78Å; R313-E318 PolarHBondContact NE-OE1 3.5Å; R313-E318 IonicContact NH2-OE1 2.71Å; R313-E318 PolarHBondContact NH2-OE1 3.03Å; R313-E318 IonicContact NH2-OE2 2.73Å; R313-E318 PolarHBondContact NH2-OE2 3.41Å
314E95.2Very high95.6Very high101 Ų10167.9 Ų67.947%0.47236%0.363SS..  trans-121.793.5174.3-64.7-172.1-156.400108.4Y133 F312 E316 E317Y133-E314 PolarHBondContact OH-N 3.28Å; Y133-E314 PolarHBondContact OH-O 3.36Å; F312-E314 PolarHBondContact O-N 2.71Å; E314-E316 PolarHBondContact O-N 2.98Å; E314-E316 VanDerWaalsContact O-N 3.11Å; E314-E317 HydrophobicContact CB-CB 4.35Å; E314-E317 HydrophobicContact CB-CG 3.88Å; E314-E317 PolarHBondContact O-N 2.89Å
315P95.5Very high95.2Very high71 Ų7172.1 Ų72.146%0.46139%0.386SS..THydrogen-bonded Turntrans-56.9-27.1-175.1-27.136.4000114.3R313 E317 E318R313-P315 HydrophobicContact CG-CG 4.49Å; P315-E317 VanDerWaalsContact C-N 3.28Å; P315-E317 PolarHBondContact O-N 3.36Å; P315-E318 PolarHBondContact O-N 3.01Å
316E95.4Very high94.6Very high153 Ų15370.7 Ų70.772%0.71537%0.369SS*.THydrogen-bonded Turntrans-66.5-30.1177.5-56.780.9-172.800112.5E314E314-E316 PolarHBondContact O-N 2.98Å; E314-E316 VanDerWaalsContact O-N 3.11Å
317E93.8Very high94.1Very high65 Ų6572.4 Ų72.430%0.30439%0.385SS..THydrogen-bonded Turntrans-81.8-17.7177.3-58.3-167.5142.200112.5K137 E314 P315 T319K137-E317 HydrophobicContact CD-CB 3.91Å; K137-E317 IonicContact NZ-OE2 4Å; K137-E317 PolarHBondContact NZ-OE2 3.09Å; E314-E317 HydrophobicContact CB-CB 4.35Å; E314-E317 HydrophobicContact CB-CG 3.88Å; E314-E317 PolarHBondContact O-N 2.89Å; P315-E317 VanDerWaalsContact C-N 3.28Å; P315-E317 PolarHBondContact O-N 3.36Å; E317-T319 PolarHBondContact O-N 3.19Å
318E96.9Very high93.5Very high11 Ų1170.7 Ų70.75%0.05137%0.37CS..  trans-75.957.1179.2-55.8178.8-169.800112.3K140 L304 R313 P315K140-E318 HydrophobicContact CD-CB 3.97Å; K140-E318 VanDerWaalsContact CE-O 3.26Å; K140-E318 WeakPolarHBondContact CE-O 3.5Å; K140-E318 PolarHBondContact NZ-O 3.24Å; K140-E318 IonicContact NZ-OE2 2.62Å; K140-E318 PolarHBondContact NZ-OE2 3.36Å; K140-E318 VanDerWaalsContact NZ-OE2 3.12Å; L304-E318 HydrophobicContact CD1-CG 4.17Å; R313-E318 WeakPolarHBondContact CG-OE1 3.21Å; R313-E318 IonicContact CZ-OE1 3.98Å; R313-E318 IonicContact NE-OE1 3.78Å; R313-E318 PolarHBondContact NE-OE1 3.5Å; R313-E318 IonicContact NH2-OE1 2.71Å; R313-E318 PolarHBondContact NH2-OE1 3.03Å; R313-E318 IonicContact NH2-OE2 2.73Å; R313-E318 PolarHBondContact NH2-OE2 3.41Å; P315-E318 PolarHBondContact O-N 3.01Å
319T97.6Very high92.7Very high65 Ų6570.7 Ų70.740%0.39937%0.37SS..  trans-72.3160.1-173.259.90000113.8H81 E317H81-T319 PolarHBondContact CD2-OG1 3.48Å; H81-T319 VanDerWaalsContact CD2-OG1 3.27Å; E317-T319 PolarHBondContact O-N 3.19Å
320E97.4Very high91.9Very high132 Ų13275.8 Ų75.862%0.61740%0.397SS*.  trans-115.4153.4175.4-67.2-175.816700110.8S144S144-E320 WeakPolarHBondContact OG-CA 3.38Å
321A95.6Very high91.5Very high15 Ų1573.6 Ų73.612%0.12438%0.381CS..PPolyproline II helixtrans-94156.2-178.900000111.5Y141 S144 A145Y141-A321 HydrophobicContact CD1-CB 3.97Å; Y141-A321 HydrophobicContact CD2-CB 4.02Å; Y141-A321 HydrophobicContact CE1-CB 3.59Å; Y141-A321 HydrophobicContact CE2-CB 3.67Å; Y141-A321 HydrophobicContact CG-CB 4.16Å; Y141-A321 VanDerWaalsContact CZ-CB 3.42Å; Y141-A321 WeakPolarHBondContact O-CB 3.38Å; S144-A321 PolarHBondContact OG-N 2.93Å; A145-A321 HydrophobicContact CB-CB 3.74Å
322Q93.3Very high91.3Very high165 Ų16573 Ų7377%0.77138%0.382SS*.PPolyproline II helixtrans-64.1145.6159.5-67.1-177.2-10.700109.8H78 Y324H78-Q322 PolarHBondContact CE1-O 3.47Å; H78-Q322 VanDerWaalsContact CE1-O 3.31Å; H78-Q322 PolarHBondContact NE2-O 3.37Å; Q322-Y324 PolarHBondContact O-N 3.44Å
323S92.4Very high91.4Very high100 Ų10071.7 Ų71.770%0.69938%0.377SS*.PPolyproline II helixtrans-56.2135.7176.4-53.50000111
324Y91.9Very high91.5Very high10 Ų1071 Ų714%0.03938%0.384CS..PPolyproline II helixtrans-82.3132.4176.8175.1-92.9000110.6R74 L75 H78 A145 I147 Q322 H326 D329R74-Y324 HydrophobicContact CB-CE2 4.21Å; R74-Y324 VanDerWaalsContact CB-OH 3.31Å; R74-Y324 WeakPolarHBondContact CB-OH 3.46Å; L75-Y324 HydrophobicContact CD2-CD1 4.31Å; L75-Y324 HydrophobicContact CD2-CD2 3.95Å; L75-Y324 HydrophobicContact CD2-CE1 4.08Å; L75-Y324 HydrophobicContact CD2-CE2 3.71Å; L75-Y324 HydrophobicContact CD2-CG 4.23Å; L75-Y324 HydrophobicContact CG-CE2 4.32Å; H78-Y324 HydrophobicContact CB-CD2 3.9Å; H78-Y324 HydrophobicContact CB-CE2 4.33Å; H78-Y324 AromaticContact CG-CD2 3.71Å; H78-Y324 AromaticContact ND1-CD2 3.89Å; A145-Y324 PolarHBondContact O-N 3.35Å; I147-Y324 HydrophobicContact CD1-CD1 4.27Å; I147-Y324 HydrophobicContact CD1-CD2 4.31Å; I147-Y324 HydrophobicContact CD1-CG 3.82Å; I147-Y324 HydrophobicContact CG1-CD1 4.49Å; I147-Y324 HydrophobicContact CG1-CG 4.45Å; Q322-Y324 PolarHBondContact O-N 3.44Å; Y324-H326 AromaticContact CD1-CD2 3.96Å; Y324-H326 AromaticContact CD1-CE1 3.38Å; Y324-H326 WeakPolarHBondContact CD1-CE1 3.43Å; Y324-H326 AromaticContact CD1-CG 3.79Å; Y324-H326 AromaticContact CD1-ND1 3.41Å; Y324-H326 WeakPolarHBondContact CD1-ND1 3.41Å; Y324-H326 AromaticContact CD1-NE2 3.72Å; Y324-H326 AromaticContact CE1-CE1 3.93Å; Y324-H326 AromaticContact CE1-ND1 3.59Å; Y324-H326 PolarHBondContact O-CD2 3.4Å; Y324-H326 PolarHBondContact O-N 2.82Å; Y324-D329 VanDerWaalsContact CE1-OD2 3.24Å; Y324-D329 WeakPolarHBondContact CE1-OD2 3.45Å; Y324-D329 PolarHBondContact OH-OD1 3.15Å; Y324-D329 PolarHBondContact OH-OD2 3.17Å
325D90.5Very high91.4Very high88 Ų8868.2 Ų68.247%0.47137%0.372SS..  trans-76.1104.9176.1176.918.5000111.3S327D325-S327 WeakPolarHBondContact OD1-CB 3.36Å; D325-S327 PolarHBondContact OD1-N 3.09Å; D325-S327 PolarHBondContact OD1-OG 3.27Å; D325-S327 PolarHBondContact OD2-OG 2.7Å
326H85.3Confident91.4Very high25 Ų2570 Ų7012%0.11637%0.374CS..  trans-84.8-1.9178.2-65.5-77.5000114.4G146 Y324 M328 D329 N330G146-H326 PolarHBondContact O-NE2 3.4Å; Y324-H326 AromaticContact CD1-CD2 3.96Å; Y324-H326 AromaticContact CD1-CE1 3.38Å; Y324-H326 WeakPolarHBondContact CD1-CE1 3.43Å; Y324-H326 AromaticContact CD1-CG 3.79Å; Y324-H326 AromaticContact CD1-ND1 3.41Å; Y324-H326 WeakPolarHBondContact CD1-ND1 3.41Å; Y324-H326 AromaticContact CD1-NE2 3.72Å; Y324-H326 AromaticContact CE1-CE1 3.93Å; Y324-H326 AromaticContact CE1-ND1 3.59Å; Y324-H326 PolarHBondContact O-CD2 3.4Å; Y324-H326 PolarHBondContact O-N 2.82Å; H326-M328 VanDerWaalsContact C-N 3.31Å; H326-M328 PolarHBondContact O-N 3.11Å; H326-D329 PolarHBondContact O-N 2.73Å; H326-N330 PolarHBondContact O-N 2.86Å; H326-N330 VanDerWaalsContact O-N 3.1Å
327S87.4Confident91.5Very high66 Ų6666.8 Ų66.846%0.46236%0.359SS..THydrogen-bonded Turntrans-52.1-50.3-173.762.10000111.8D325 N330 T331D325-S327 WeakPolarHBondContact OD1-CB 3.36Å; D325-S327 PolarHBondContact OD1-N 3.09Å; D325-S327 PolarHBondContact OD1-OG 3.27Å; D325-S327 PolarHBondContact OD2-OG 2.7Å; S327-N330 PolarHBondContact O-N 2.65Å; S327-T331 WeakPolarHBondContact O-CG2 3.5Å
328M85.4Confident91.6Very high44 Ų4463.7 Ų63.722%0.21735%0.345CS..THydrogen-bonded Turntrans-64.1-45.1176.6-71.2-62.5-6500111.6Y70 H326 N330 T331 L333 W338Y70-M328 HydrophobicContact CE1-CB 4.18Å; H326-M328 VanDerWaalsContact C-N 3.31Å; H326-M328 PolarHBondContact O-N 3.11Å; M328-N330 PolarHBondContact O-N 3.01Å; M328-N330 VanDerWaalsContact O-N 3.12Å; M328-T331 WeakPolarHBondContact O-CB 3.26Å; M328-T331 PolarHBondContact O-N 2.89Å; M328-T331 PolarHBondContact O-OG1 3.22Å; M328-L333 HydrophobicContact CE-CD1 4.17Å; M328-W338 WeakPolarHBondContact O-CH2 3.48Å
329D80.9Confident91.5Very high8 Ų863.8 Ų63.84%0.04335%0.345CS..THydrogen-bonded Turntrans-61.6-24.8-176.9-72.40.7000113.3K67 R71 Y324 H326K67-D329 WeakPolarHBondContact CE-O 3.4Å; K67-D329 PolarHBondContact NZ-O 2.77Å; R71-D329 WeakPolarHBondContact CD-OD2 3.26Å; R71-D329 WeakPolarHBondContact CG-OD2 3.41Å; Y324-D329 VanDerWaalsContact CE1-OD2 3.24Å; Y324-D329 WeakPolarHBondContact CE1-OD2 3.45Å; Y324-D329 PolarHBondContact OH-OD1 3.15Å; Y324-D329 PolarHBondContact OH-OD2 3.17Å; H326-D329 PolarHBondContact O-N 2.73Å
330N80.7Confident91.5Very high106 Ų10667.8 Ų67.857%0.56735%0.353SS*.THydrogen-bonded Turntrans-89.5-7.3179.2-68.1-23.8000113.3Q175 H326 S327 M328Q175-N330 PolarHBondContact OE1-ND2 3.11Å; H326-N330 PolarHBondContact O-N 2.86Å; H326-N330 VanDerWaalsContact O-N 3.1Å; S327-N330 PolarHBondContact O-N 2.65Å; M328-N330 PolarHBondContact O-N 3.01Å; M328-N330 VanDerWaalsContact O-N 3.12Å
331T87.8Confident91.4Very high43 Ų4364.5 Ų64.526%0.26434%0.337SS..  trans-73.5153.9176.664.10000112.8K67 S327 M328 L333 W338K67-T331 PolarHBondContact NZ-O 2.8Å; S327-T331 WeakPolarHBondContact O-CG2 3.5Å; M328-T331 WeakPolarHBondContact O-CB 3.26Å; M328-T331 PolarHBondContact O-N 2.89Å; M328-T331 PolarHBondContact O-OG1 3.22Å; T331-L333 WeakPolarHBondContact OG1-CG 3.49Å; T331-W338 WeakPolarHBondContact OG1-CH2 3.15Å
332D89.4Confident91.5Very high122 Ų12263.8 Ų63.865%0.65233%0.331SS*.  trans-110.378.7175.5-165.144.2000111.2K63K63-D332 WeakPolarHBondContact CE-OD1 3.35Å; K63-D332 IonicContact NZ-OD1 2.97Å; K63-D332 PolarHBondContact NZ-OD1 2.95Å; K63-D332 IonicContact NZ-OD2 3.76Å; K63-D332 PolarHBondContact NZ-OD2 3.45Å
333L92.6Very high91.6Very high29 Ų2956.9 Ų56.915%0.15230%0.299CS..  trans-95.4150.4-174.8-49.8177.2000113K63 M328 T331 Q337 W338K63-L333 VanDerWaalsContact CD-O 3.28Å; K63-L333 WeakPolarHBondContact CD-O 3.26Å; K63-L333 WeakPolarHBondContact CE-O 3.37Å; K63-L333 WeakPolarHBondContact CG-O 3.29Å; M328-L333 HydrophobicContact CE-CD1 4.17Å; T331-L333 WeakPolarHBondContact OG1-CG 3.49Å; L333-Q337 HydrophobicContact CB-CB 4.05Å; L333-Q337 HydrophobicContact CD1-CB 4.43Å; L333-W338 HydrophobicContact CB-CD2 4.33Å; L333-W338 HydrophobicContact CB-CZ2 4.05Å; L333-W338 HydrophobicContact CD1-CD2 4.38Å; L333-W338 HydrophobicContact CD1-CE3 4.37Å; L333-W338 HydrophobicContact CD1-CH2 4.01Å; L333-W338 HydrophobicContact CD1-CZ2 4.02Å; L333-W338 HydrophobicContact CD1-CZ3 4.18Å; L333-W338 HydrophobicContact CG-CH2 4.36Å; L333-W338 HydrophobicContact CG-CZ2 3.93Å; L333-W338 PolarHBondContact O-NE1 2.75Å; L333-W338 VanDerWaalsContact O-NE1 3.08Å
334P95.6Very high91.7Very high72 Ų7255.9 Ų55.947%0.46829%0.289SS..  trans-57.4156166.3-22.933.3000112.7E336 Q337 W338P334-E336 VanDerWaalsContact C-N 3.32Å; P334-E336 PolarHBondContact O-N 3.34Å; P334-Q337 PolarHBondContact O-N 2.93Å; P334-Q337 VanDerWaalsContact O-N 3.09Å; P334-W338 PolarHBondContact O-N 2.86Å
335L94.9Very high91.8Very high43 Ų4356.8 Ų56.823%0.22529%0.293CS..Hα-helixtrans-54.1-45.9-178.7-173160.2000112.7F60 A66 Q337 W338 K339F60-L335 HydrophobicContact CB-CD2 4.12Å; F60-L335 WeakPolarHBondContact O-CD1 3.36Å; A66-L335 HydrophobicContact CB-CG 4.38Å; L335-Q337 PolarHBondContact O-N 3.43Å; L335-W338 WeakPolarHBondContact O-CB 3.39Å; L335-W338 PolarHBondContact O-N 3.42Å; L335-W338 VanDerWaalsContact O-N 3.16Å; L335-K339 WeakPolarHBondContact O-CB 3.35Å; L335-K339 PolarHBondContact O-N 3.08Å
336E95.3Very high92.1Very high109 Ų10953.1 Ų53.151%0.50927%0.274SS..Hα-helixtrans-62.1-31.3-179.3-66.2-52.3132.300113.2P334 R340P334-E336 VanDerWaalsContact C-N 3.32Å; P334-E336 PolarHBondContact O-N 3.34Å; E336-R340 WeakPolarHBondContact O-CB 3.49Å; E336-R340 PolarHBondContact O-N 2.91Å
337Q96.1Very high92.4Very high84 Ų8456.6 Ų56.639%0.39329%0.292SS..Hα-helixtrans-72.7-44.1175.6-66.4-174.67.100110.9L333 P334 L335 K339 R340 H341L333-Q337 HydrophobicContact CB-CB 4.05Å; L333-Q337 HydrophobicContact CD1-CB 4.43Å; P334-Q337 PolarHBondContact O-N 2.93Å; P334-Q337 VanDerWaalsContact O-N 3.09Å; L335-Q337 PolarHBondContact O-N 3.43Å; Q337-K339 VanDerWaalsContact C-N 3.28Å; Q337-K339 PolarHBondContact O-N 2.91Å; Q337-R340 PolarHBondContact O-N 3.01Å; Q337-H341 PolarHBondContact O-CD2 3.37Å; Q337-H341 PolarHBondContact O-N 3.49Å
338W96.1Very high92.6Very high0 Ų056.6 Ų56.60%029%0.293CS..Hα-helixtrans-57.9-42.6172.7-73.1120000112.5A66 K67 Y70 M328 T331 L333 P334 L335 H341 T342A66-W338 HydrophobicContact CB-CB 3.65Å; A66-W338 HydrophobicContact CB-CG 4.28Å; K67-W338 HydrophobicContact CB-CD2 4.17Å; K67-W338 HydrophobicContact CB-CG 4.45Å; K67-W338 HydrophobicContact CB-CZ2 4.27Å; K67-W338 HydrophobicContact CD-CH2 4.44Å; K67-W338 HydrophobicContact CD-CZ2 3.77Å; K67-W338 HydrophobicContact CG-CD2 4.48Å; K67-W338 HydrophobicContact CG-CH2 4.2Å; K67-W338 HydrophobicContact CG-CZ2 3.82Å; Y70-W338 AromaticContact CD1-CE3 3.79Å; Y70-W338 HydrophobicContact CD1-CE3 3.79Å; Y70-W338 HydrophobicContact CD1-CH2 4.5Å; Y70-W338 AromaticContact CD1-CZ3 3.42Å; Y70-W338 HydrophobicContact CD1-CZ3 3.42Å; Y70-W338 VanDerWaalsContact CD1-CZ3 3.42Å; Y70-W338 HydrophobicContact CE1-CE3 4.41Å; Y70-W338 AromaticContact CE1-CZ3 3.75Å; Y70-W338 HydrophobicContact CE1-CZ3 3.75Å; Y70-W338 AromaticContact CG-CE3 3.86Å; Y70-W338 HydrophobicContact CG-CE3 3.86Å; Y70-W338 AromaticContact CG-CZ3 3.99Å; Y70-W338 HydrophobicContact CG-CZ3 3.99Å; M328-W338 WeakPolarHBondContact O-CH2 3.48Å; T331-W338 WeakPolarHBondContact OG1-CH2 3.15Å; L333-W338 HydrophobicContact CB-CD2 4.33Å; L333-W338 HydrophobicContact CB-CZ2 4.05Å; L333-W338 HydrophobicContact CD1-CD2 4.38Å; L333-W338 HydrophobicContact CD1-CE3 4.37Å; L333-W338 HydrophobicContact CD1-CH2 4.01Å; L333-W338 HydrophobicContact CD1-CZ2 4.02Å; L333-W338 HydrophobicContact CD1-CZ3 4.18Å; L333-W338 HydrophobicContact CG-CH2 4.36Å; L333-W338 HydrophobicContact CG-CZ2 3.93Å; L333-W338 PolarHBondContact O-NE1 2.75Å; L333-W338 VanDerWaalsContact O-NE1 3.08Å; P334-W338 PolarHBondContact O-N 2.86Å; L335-W338 WeakPolarHBondContact O-CB 3.39Å; L335-W338 PolarHBondContact O-N 3.42Å; L335-W338 VanDerWaalsContact O-N 3.16Å; W338-H341 PolarHBondContact O-N 3.46Å; W338-T342 WeakPolarHBondContact O-CB 3.48Å; W338-T342 PolarHBondContact O-N 3.46Å; W338-T342 PolarHBondContact O-OG1 3.03Å
339K96.3Very high93Very high13 Ų1356.1 Ų56.16%0.05729%0.289CS..Hα-helixtrans-60.9-45.6175.9-176.4176.3159.7173.40111.2F60 L97 D98 F100 L335 Q337 T342 F343F60-K339 HydrophobicContact CB-CD 4.37Å; F60-K339 HydrophobicContact CD1-CB 3.84Å; F60-K339 HydrophobicContact CD1-CG 3.97Å; F60-K339 HydrophobicContact CD2-CD 4.17Å; F60-K339 HydrophobicContact CD2-CG 4.08Å; F60-K339 HydrophobicContact CE1-CB 4.12Å; F60-K339 HydrophobicContact CE1-CG 4.15Å; F60-K339 HydrophobicContact CE2-CG 4.24Å; F60-K339 HydrophobicContact CG-CB 4.24Å; F60-K339 HydrophobicContact CG-CD 4.08Å; F60-K339 HydrophobicContact CG-CG 3.97Å; F60-K339 HydrophobicContact CZ-CG 4.3Å; L97-K339 HydrophobicContact CD1-CG 4Å; L97-K339 WeakPolarHBondContact O-CE 3.32Å; L97-K339 PolarHBondContact O-NZ 3.35Å; L97-K339 VanDerWaalsContact O-NZ 3.08Å; D98-K339 PolarHBondContact O-NZ 3.26Å; F100-K339 HydrophobicContact CD1-CD 4.49Å; F100-K339 HydrophobicContact CD1-CG 3.68Å; F100-K339 HydrophobicContact CE1-CG 4.24Å; F100-K339 WeakPolarHBondContact O-CE 3.39Å; F100-K339 PolarHBondContact O-NZ 2.84Å; L335-K339 WeakPolarHBondContact O-CB 3.35Å; L335-K339 PolarHBondContact O-N 3.08Å; Q337-K339 VanDerWaalsContact C-N 3.28Å; Q337-K339 PolarHBondContact O-N 2.91Å; K339-T342 PolarHBondContact O-N 2.96Å; K339-F343 WeakPolarHBondContact O-CB 3.28Å; K339-F343 PolarHBondContact O-N 2.91Å
340R96.4Very high93.4Very high149 Ų14966.4 Ų66.456%0.56233%0.327SS*.Hα-helixtrans-62.2-46175.5-175.1179.8-66172.8-0.8112.9L97 E336 Q337 F343 T344L97-R340 HydrophobicContact CD1-CB 4.43Å; L97-R340 HydrophobicContact CD2-CB 3.94Å; L97-R340 HydrophobicContact CD2-CG 4.03Å; E336-R340 WeakPolarHBondContact O-CB 3.49Å; E336-R340 PolarHBondContact O-N 2.91Å; Q337-R340 PolarHBondContact O-N 3.01Å; R340-F343 PolarHBondContact O-N 2.93Å; R340-T344 WeakPolarHBondContact O-CB 2.81Å; R340-T344 PolarHBondContact O-N 3.25Å; R340-T344 PolarHBondContact O-OG1 2.97Å
341H96.1Very high93.5Very high63 Ų6364.6 Ų64.629%0.29232%0.321SS..Hα-helixtrans-62-45.2177.5-73.1-61.1000111.1Y70 Q337 W338 F343 T344 E345Y70-H341 HydrophobicContact CD2-CB 3.91Å; Y70-H341 HydrophobicContact CE2-CB 3.59Å; Q337-H341 PolarHBondContact O-CD2 3.37Å; Q337-H341 PolarHBondContact O-N 3.49Å; W338-H341 PolarHBondContact O-N 3.46Å; H341-F343 PolarHBondContact O-N 3.13Å; H341-T344 PolarHBondContact O-N 2.93Å; H341-E345 WeakPolarHBondContact O-CG 2.95Å; H341-E345 PolarHBondContact O-N 2.96Å
342T96.3Very high92.9Very high0 Ų066.6 Ų66.60%034%0.343CS..Hα-helixtrans-59.1-47.5175.7-52.80000111.2F60 Y70 L73 F100 F103 W338 K339 T344 E345 I346F60-T342 HydrophobicContact CE1-CG2 4.36Å; F60-T342 HydrophobicContact CZ-CG2 4.08Å; Y70-T342 WeakPolarHBondContact CB-OG1 3.37Å; L73-T342 HydrophobicContact CD2-CG2 4.16Å; F100-T342 HydrophobicContact CE1-CG2 4.19Å; F100-T342 HydrophobicContact CZ-CG2 4.08Å; F103-T342 HydrophobicContact CD1-CG2 4.25Å; F103-T342 HydrophobicContact CE1-CG2 3.79Å; F103-T342 HydrophobicContact CZ-CG2 3.98Å; W338-T342 WeakPolarHBondContact O-CB 3.48Å; W338-T342 PolarHBondContact O-N 3.46Å; W338-T342 PolarHBondContact O-OG1 3.03Å; K339-T342 PolarHBondContact O-N 2.96Å; T342-T344 VanDerWaalsContact C-N 3.29Å; T342-T344 PolarHBondContact O-N 3.01Å; T342-E345 PolarHBondContact O-N 3.17Å; T342-I346 HydrophobicContact CG2-CD1 4.13Å; T342-I346 VanDerWaalsContact O-CG1 3.27Å; T342-I346 WeakPolarHBondContact O-CG1 3.02Å; T342-I346 PolarHBondContact O-N 3.37Å
343F96.1Very high91.5Very high21 Ų2165.3 Ų65.39%0.09235%0.349CS..Hα-helixtrans-59.6-41.1178.2-167.4-111000112.1T92 L97 F100 K339 R340 H341 I346 L347T92-F343 HydrophobicContact CG2-CD2 4.35Å; T92-F343 HydrophobicContact CG2-CE2 3.95Å; L97-F343 HydrophobicContact CB-CD1 4.4Å; L97-F343 HydrophobicContact CD1-CB 3.73Å; L97-F343 HydrophobicContact CD1-CD1 4.19Å; L97-F343 HydrophobicContact CD1-CG 3.97Å; F100-F343 HydrophobicContact CB-CD2 3.97Å; F100-F343 HydrophobicContact CB-CE2 4.21Å; F100-F343 HydrophobicContact CD1-CB 3.8Å; F100-F343 AromaticContact CD1-CD2 3.68Å; F100-F343 HydrophobicContact CD1-CD2 3.68Å; F100-F343 HydrophobicContact CD1-CG 4.12Å; F100-F343 AromaticContact CD2-CD2 3.84Å; F100-F343 HydrophobicContact CD2-CD2 3.84Å; F100-F343 HydrophobicContact CD2-CE2 4.28Å; F100-F343 HydrophobicContact CE1-CB 3.81Å; F100-F343 HydrophobicContact CE1-CD2 4.06Å; F100-F343 HydrophobicContact CE1-CG 4.44Å; F100-F343 HydrophobicContact CE2-CD2 4.21Å; F100-F343 AromaticContact CG-CD2 3.56Å; F100-F343 HydrophobicContact CG-CD2 3.56Å; F100-F343 HydrophobicContact CG-CE2 4.17Å; F100-F343 HydrophobicContact CG-CG 4.4Å; F100-F343 HydrophobicContact CZ-CD2 4.33Å; K339-F343 WeakPolarHBondContact O-CB 3.28Å; K339-F343 PolarHBondContact O-N 2.91Å; R340-F343 PolarHBondContact O-N 2.93Å; H341-F343 PolarHBondContact O-N 3.13Å; F343-I346 PolarHBondContact O-N 3.09Å; F343-L347 HydrophobicContact CD1-CD1 3.85Å; F343-L347 HydrophobicContact CD1-CG 4.47Å; F343-L347 HydrophobicContact CE1-CD1 3.48Å; F343-L347 VanDerWaalsContact CE1-CD1 3.48Å; F343-L347 HydrophobicContact CE1-CG 4.28Å; F343-L347 HydrophobicContact CZ-CD1 4.01Å; F343-L347 HydrophobicContact CZ-CG 4.48Å; F343-L347 WeakPolarHBondContact O-CG 2.93Å; F343-L347 PolarHBondContact O-N 3.3Å
344T95.2Very high89.6Confident79 Ų7969 Ų6949%0.48537%0.373SS..Hα-helixtrans-65.9-42.2177.3-53.20000112R340 H341 T342 I346 L347 S348R340-T344 WeakPolarHBondContact O-CB 2.81Å; R340-T344 PolarHBondContact O-N 3.25Å; R340-T344 PolarHBondContact O-OG1 2.97Å; H341-T344 PolarHBondContact O-N 2.93Å; T342-T344 VanDerWaalsContact C-N 3.29Å; T342-T344 PolarHBondContact O-N 3.01Å; T344-I346 VanDerWaalsContact C-N 3.29Å; T344-I346 PolarHBondContact O-N 3.27Å; T344-L347 PolarHBondContact O-N 2.72Å; T344-S348 WeakPolarHBondContact O-CB 3.48Å; T344-S348 PolarHBondContact O-N 2.68Å; T344-S348 PolarHBondContact O-OG 3.3Å
345E94.7Very high87Confident28 Ų2873.9 Ų73.913%0.13139%0.389CS..Hα-helixtrans-62.8-34.4176.3-74.7-68.8173.200112.8Y70 L73 R74 K77 H341 T342 S348 F349Y70-E345 HydrophobicContact CD2-CG 4.39Å; Y70-E345 HydrophobicContact CE2-CG 3.63Å; L73-E345 HydrophobicContact CD2-CB 3.69Å; L73-E345 HydrophobicContact CG-CB 4.45Å; R74-E345 VanDerWaalsContact CD-OE1 3.26Å; R74-E345 WeakPolarHBondContact CD-OE1 3.11Å; R74-E345 IonicContact CZ-OE1 3.66Å; R74-E345 IonicContact NE-OE1 3.27Å; R74-E345 IonicContact NH1-OE1 2.97Å; R74-E345 PolarHBondContact NH1-OE1 3.23Å; K77-E345 PolarHBondContact NZ-O 3.48Å; K77-E345 IonicContact NZ-OE2 3.8Å; K77-E345 PolarHBondContact NZ-OE2 3.16Å; H341-E345 WeakPolarHBondContact O-CG 2.95Å; H341-E345 PolarHBondContact O-N 2.96Å; T342-E345 PolarHBondContact O-N 3.17Å; E345-S348 WeakPolarHBondContact CA-OG 3.06Å; E345-S348 PolarHBondContact O-OG 3.08Å; E345-F349 PolarHBondContact O-N 3.31Å
346I95.4Very high84Confident12 Ų1277.5 Ų77.56%0.06241%0.414CS..Hα-helixtrans-69-49.5174.7-64.5168.4000110.4L73 V90 T92 F100 F103 T342 F343 T344 S348 F349L73-I346 HydrophobicContact CD2-CG1 3.78Å; V90-I346 HydrophobicContact CG1-CG2 4.49Å; V90-I346 HydrophobicContact CG2-CB 4.47Å; V90-I346 HydrophobicContact CG2-CD1 4.41Å; V90-I346 HydrophobicContact CG2-CG1 3.77Å; V90-I346 HydrophobicContact CG2-CG2 4.25Å; T92-I346 HydrophobicContact CG2-CG2 4.43Å; F100-I346 HydrophobicContact CE2-CD1 3.9Å; F100-I346 HydrophobicContact CZ-CD1 3.51Å; F103-I346 HydrophobicContact CB-CD1 3.56Å; F103-I346 HydrophobicContact CD1-CD1 4.26Å; F103-I346 HydrophobicContact CD2-CD1 3.99Å; F103-I346 HydrophobicContact CG-CD1 3.71Å; T342-I346 HydrophobicContact CG2-CD1 4.13Å; T342-I346 VanDerWaalsContact O-CG1 3.27Å; T342-I346 WeakPolarHBondContact O-CG1 3.02Å; T342-I346 PolarHBondContact O-N 3.37Å; F343-I346 PolarHBondContact O-N 3.09Å; T344-I346 VanDerWaalsContact C-N 3.29Å; T344-I346 PolarHBondContact O-N 3.27Å; I346-S348 VanDerWaalsContact C-N 3.28Å; I346-S348 PolarHBondContact O-N 3.35Å; I346-F349 WeakPolarHBondContact O-CB 3.42Å; I346-F349 PolarHBondContact O-N 3.36Å
347L91.9Very high81.1Confident97 Ų9781.5 Ų81.551%0.50843%0.429SS..Hα-helixtrans-67.9-27.9-177.3-68.2-178.1000113.5F343 T344F343-L347 HydrophobicContact CD1-CD1 3.85Å; F343-L347 HydrophobicContact CD1-CG 4.47Å; F343-L347 HydrophobicContact CE1-CD1 3.48Å; F343-L347 VanDerWaalsContact CE1-CD1 3.48Å; F343-L347 HydrophobicContact CE1-CG 4.28Å; F343-L347 HydrophobicContact CZ-CD1 4.01Å; F343-L347 HydrophobicContact CZ-CG 4.48Å; F343-L347 WeakPolarHBondContact O-CG 2.93Å; F343-L347 PolarHBondContact O-N 3.3Å; T344-L347 PolarHBondContact O-N 2.72Å
348S92.4Very high77.9Confident67 Ų6784 Ų8447%0.46945%0.445SS..THydrogen-bonded Turntrans-87.8-6.8177.6590000113.6T344 E345 I346 R350T344-S348 WeakPolarHBondContact O-CB 3.48Å; T344-S348 PolarHBondContact O-N 2.68Å; T344-S348 PolarHBondContact O-OG 3.3Å; E345-S348 WeakPolarHBondContact CA-OG 3.06Å; E345-S348 PolarHBondContact O-OG 3.08Å; I346-S348 VanDerWaalsContact C-N 3.28Å; I346-S348 PolarHBondContact O-N 3.35Å; S348-R350 PolarHBondContact O-N 3.09Å
349F93.5Very high75Confident33 Ų3390.1 Ų90.115%0.14549%0.485CS..  trans-63.5130.7-179.6-178-98.2000111K77 L87 V90 E345 I346 P351K77-F349 HydrophobicContact CD-CD2 3.99Å; K77-F349 HydrophobicContact CG-CD2 3.94Å; K77-F349 HydrophobicContact CG-CE2 4.06Å; L87-F349 HydrophobicContact CB-CE2 4.33Å; L87-F349 HydrophobicContact CB-CZ 4.45Å; L87-F349 HydrophobicContact CD2-CD2 3.97Å; L87-F349 HydrophobicContact CD2-CE2 3.62Å; L87-F349 HydrophobicContact CD2-CZ 4.11Å; L87-F349 HydrophobicContact CG-CE2 4.08Å; L87-F349 HydrophobicContact CG-CZ 4.11Å; V90-F349 HydrophobicContact CG1-CB 3.5Å; V90-F349 VanDerWaalsContact CG1-CB 3.5Å; V90-F349 HydrophobicContact CG1-CD1 3.77Å; V90-F349 HydrophobicContact CG1-CD2 3.99Å; V90-F349 HydrophobicContact CG1-CG 3.46Å; V90-F349 VanDerWaalsContact CG1-CG 3.46Å; E345-F349 PolarHBondContact O-N 3.31Å; I346-F349 WeakPolarHBondContact O-CB 3.42Å; I346-F349 PolarHBondContact O-N 3.36Å; F349-P351 HydrophobicContact CD1-CG 4.44Å; F349-P351 HydrophobicContact CE1-CB 4.24Å; F349-P351 HydrophobicContact CE1-CG 3.98Å
350R89.3Confident72.2Confident224 Ų22498.1 Ų98.185%0.84552%0.52SS*.  trans-119.1120.6171.5-65.2-172.7-179.6-174.20.6107.7S348S348-R350 PolarHBondContact O-N 3.09Å
351P83.1Confident69.3Low68 Ų68100 Ų10044%0.44254%0.535SS..PPolyproline II helixtrans-56.3144.6173.8-20.830.6000110.1F349 A353F349-P351 HydrophobicContact CD1-CG 4.44Å; F349-P351 HydrophobicContact CE1-CB 4.24Å; F349-P351 HydrophobicContact CE1-CG 3.98Å; P351-A353 PolarHBondContact O-N 2.97Å
352A74.7Confident66.4Low86 Ų86104 Ų10471%0.71156%0.564SS**PPolyproline II helixtrans-57.7136.8166.400000108.5T354A352-T354 PolarHBondContact O-N 3.35Å; A352-T354 VanDerWaalsContact O-N 3.09Å
353A59.4Low63.6Low95 Ų95109.6 Ų109.679%0.78560%0.603SS**PPolyproline II helixtrans-58.7119.3171.800000107.1P351 E355P351-A353 PolarHBondContact O-N 2.97Å; A353-E355 PolarHBondContact O-N 2.95Å
354T54Low60.6Low106 Ų106120.5 Ų120.565%0.6566%0.661SS**  trans-63.6107.8171.541.10000106.9T47 A352 T356T47-T354 HydrophobicContact CG2-CG2 4.49Å; A352-T354 PolarHBondContact O-N 3.35Å; A352-T354 VanDerWaalsContact O-N 3.09Å; T354-T356 VanDerWaalsContact C-N 3.33Å; T354-T356 PolarHBondContact O-N 2.93Å
355E39Very low58.9Low174 Ų174122.6 Ų122.681%0.81367%0.67SS**  trans-59.7103.9160.2-72.3-178.5178.800106.3A353 K357A353-E355 PolarHBondContact O-N 2.95Å; E355-K357 VanDerWaalsContact C-N 3.26Å; E355-K357 PolarHBondContact O-N 3.08Å
356T33.4Very low57Low120 Ų120127.5 Ų127.574%0.73670%0.698SS**  trans-62.195164.137.80000106.6T354 D358T354-T356 VanDerWaalsContact C-N 3.33Å; T354-T356 PolarHBondContact O-N 2.93Å; T356-D358 PolarHBondContact O-N 3.01Å; T356-D358 VanDerWaalsContact O-N 3.09Å
357K33.7Very low54.9Low193 Ų193133.9 Ų133.984%0.83973%0.733SS**  trans-63.2108.6160.5-79.4-171.3175.7-176.30106.3E355E355-K357 VanDerWaalsContact C-N 3.26Å; E355-K357 PolarHBondContact O-N 3.08Å
358D28.8Very low52.7Low136 Ų136136.1 Ų136.173%0.72775%0.747SS**  trans-56.6130.7173.3-92.4-42.8000109.1T356 K360T356-D358 PolarHBondContact O-N 3.01Å; T356-D358 VanDerWaalsContact O-N 3.09Å; D358-K360 PolarHBondContact O-N 3.15Å
359P35.2Very low50.2Low129 Ų129140.4 Ų140.484%0.83876%0.764SS**SBendtrans-77.335.1179.331.1-33.6000112.6
360K38.6Very low47.3Very low180 Ų180147.6 Ų147.678%0.78381%0.805SS**  trans-130.387179-73.6-171.9178-177.70110.4D358D358-K360 PolarHBondContact O-N 3.15Å
361E35.3Very low44.3Very low190 Ų190142.1 Ų142.189%0.88880%0.802SS**  trans17772.6141-99.7171.7-170.800109.3
362T35.3Very low41.3Very low146 Ų146147.8 Ų147.890%0.89683%0.83SS**  trans-146.271148.115.10000106.3
363S36.6Very low38.6Very low117 Ų117153 Ų15382%0.81884%0.84SS**  trans-135.486.1159.3-61.10000105.2
364L33.3Very low36.7Very low250 Ų250158.3 Ų158.3100%1.30985%0.845SS**  trans-168.20145-98.5160.7000108.6

Retrieved 364 of 364 residues in 121.1 ms (Link to these results)

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