A0A060X917_ONCMY Loading...

non-specific serine/threonine protein kinase

Casein kinases are operationally defined by their preferential utilization of acidic proteins such as caseins as substrates. Central component of the circadian clock. May act as a negative regulator of circadian rhythmicity by phosphorylating per1 and per2, which may lead to their degradation. Participates in wnt signaling.

AlphaFold DB , UniProt , Accession A0A060X917, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 421 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
1M50.6Low84.8Confident235 Ų23592.4 Ų92.4100%1.15844%0.44SS*.  0131.60-72.8175.9-163.600108.4L3M1-L3 PolarHBondContact O-N 2.91Å
2E68.4Low85.6Confident104 Ų10488 Ų8849%0.48644%0.438SS..  trans-70.8115.5169.3-70.9-172.5158.300108.8R4 R10E2-R4 PolarHBondContact O-N 2.88Å; E2-R4 IonicContact OE2-NH2 3.01Å; E2-R10 VanDerWaalsContact CD-CZ 3.5Å; E2-R10 VanDerWaalsContact CD-NE 3.27Å; E2-R10 VanDerWaalsContact CD-NH2 3.3Å; E2-R10 IonicContact OE1-CZ 3.24Å; E2-R10 IonicContact OE1-NE 2.99Å; E2-R10 PolarHBondContact OE1-NE 2.88Å; E2-R10 IonicContact OE1-NH1 3Å; E2-R10 IonicContact OE1-NH2 2.81Å; E2-R10 PolarHBondContact OE1-NH2 3.06Å; E2-R10 IonicContact OE2-CZ 2.7Å; E2-R10 VanDerWaalsContact OE2-CZ 3.24Å; E2-R10 IonicContact OE2-NE 3.03Å; E2-R10 PolarHBondContact OE2-NE 2.86Å; E2-R10 IonicContact OE2-NH2 3.14Å; E2-R10 PolarHBondContact OE2-NH2 3.17Å
3L81.4Confident86.3Confident117 Ų11790.3 Ų90.361%0.61344%0.438SS*.  trans-69.5125.9175.6-70.7169.4000109.5M1 L11M1-L3 PolarHBondContact O-N 2.91Å; L3-L11 HydrophobicContact CB-CB 4.02Å; L3-L11 HydrophobicContact CB-CD2 4.26Å; L3-L11 HydrophobicContact CD1-CD2 4.1Å; L3-L11 PolarHBondContact O-N 3.1Å
4R87.9Confident86.9Confident132 Ų13290.9 Ų90.950%0.49844%0.438SS..EExtended strand (participates in β ladder)trans-119.6142.6179.3-64.6-178.3-177.4-179.10.6109.7E2 Y9 I29E2-R4 PolarHBondContact O-N 2.88Å; E2-R4 IonicContact OE2-NH2 3.01Å; R4-Y9 CarbonylContact C-O 3.46Å; R4-Y9 VanDerWaalsContact CA-O 3.3Å; R4-Y9 WeakPolarHBondContact CA-O 3.46Å; R4-I29 HydrophobicContact CG-CD1 4.32Å
5V88Confident87.2Confident8 Ų888.1 Ų88.15%0.04843%0.425CS..EExtended strand (participates in β ladder)trans-117.5127.6178.9170.10000108.4N7 K8 Y9 W70 V79 V81V5-N7 PolarHBondContact O-N 3.1Å; V5-N7 VanDerWaalsContact O-N 3.1Å; V5-K8 PolarHBondContact O-N 3.47Å; V5-K8 VanDerWaalsContact O-N 3.17Å; V5-Y9 PolarHBondContact N-O 3.01Å; V5-Y9 PolarHBondContact O-N 3.03Å; V5-W70 HydrophobicContact CG1-CE3 3.93Å; V5-W70 HydrophobicContact CG1-CH2 4.09Å; V5-W70 HydrophobicContact CG1-CZ3 3.35Å; V5-V79 HydrophobicContact CB-CG1 4.49Å; V5-V79 HydrophobicContact CG1-CB 4.11Å; V5-V79 HydrophobicContact CG1-CG1 3.42Å; V5-V79 VanDerWaalsContact CG1-CG1 3.42Å; V5-V79 HydrophobicContact CG1-CG2 4.38Å; V5-V79 HydrophobicContact CG2-CG1 4.29Å; V5-V81 HydrophobicContact CG1-CG2 4.37Å
6G86.2Confident87.2Confident18 Ų1884.4 Ų84.419%0.18642%0.417CS..THydrogen-bonded Turntrans56.628.3176.500000113.5K8 E74G6-K8 WeakPolarHBondContact O-CG 3.43Å; G6-K8 PolarHBondContact O-N 3.04Å; G6-E74 PolarHBondContact N-OE2 3.35Å
7N88.4Confident87Confident139 Ų13982.8 Ų82.874%0.74342%0.416SS*.THydrogen-bonded Turntrans51.910.5-173.8-67.4-36.5000116.3V5V5-N7 PolarHBondContact O-N 3.1Å; V5-N7 VanDerWaalsContact O-N 3.1Å
8K94.1Very high86.1Confident128 Ų12879.7 Ų79.756%0.55741%0.409SS*.THydrogen-bonded Turntrans-123.7-25.7-172.7-72.1-180-178.1-175.80113.3V5 G6 I29V5-K8 PolarHBondContact O-N 3.47Å; V5-K8 VanDerWaalsContact O-N 3.17Å; G6-K8 WeakPolarHBondContact O-CG 3.43Å; G6-K8 PolarHBondContact O-N 3.04Å; K8-I29 WeakPolarHBondContact O-CG1 3.13Å; K8-I29 PolarHBondContact O-N 3.25Å
9Y96.5Very high84.9Confident15 Ų1576.7 Ų76.76%0.05940%0.396CS..EExtended strand (participates in β ladder)trans-119.1126-172.9-54.3-80.4000110.5R4 V5 I27 N28 V35 W70 V81R4-Y9 CarbonylContact C-O 3.46Å; R4-Y9 VanDerWaalsContact CA-O 3.3Å; R4-Y9 WeakPolarHBondContact CA-O 3.46Å; V5-Y9 PolarHBondContact N-O 3.01Å; V5-Y9 PolarHBondContact O-N 3.03Å; Y9-I27 CarbonylContact C-O 3.56Å; Y9-I27 WeakPolarHBondContact CA-O 3.34Å; Y9-N28 HydrophobicContact CD1-CB 3.94Å; Y9-N28 HydrophobicContact CE1-CB 3.87Å; Y9-V35 HydrophobicContact CD1-CG2 3.98Å; Y9-V35 HydrophobicContact CE1-CG1 4.37Å; Y9-W70 HydrophobicContact CE2-CB 3.81Å; Y9-W70 HydrophobicContact CE2-CG 4.23Å; Y9-V81 HydrophobicContact CD1-CG1 3.91Å; Y9-V81 HydrophobicContact CD2-CG1 4.4Å; Y9-V81 HydrophobicContact CD2-CG2 3.89Å; Y9-V81 HydrophobicContact CE1-CG1 3.77Å; Y9-V81 HydrophobicContact CE2-CB 4.4Å; Y9-V81 HydrophobicContact CE2-CG1 4.27Å; Y9-V81 HydrophobicContact CE2-CG2 4.12Å; Y9-V81 HydrophobicContact CG-CG1 4.22Å; Y9-V81 HydrophobicContact CG-CG2 4.19Å
10R95.7Very high84.3Confident91 Ų9175.2 Ų75.234%0.34339%0.386SS..EExtended strand (participates in β ladder)trans-82.9125.9169.7-176.8-176.3-72161.4-7.6108.5E2 G26 I27 I29E2-R10 VanDerWaalsContact CD-CZ 3.5Å; E2-R10 VanDerWaalsContact CD-NE 3.27Å; E2-R10 VanDerWaalsContact CD-NH2 3.3Å; E2-R10 IonicContact OE1-CZ 3.24Å; E2-R10 IonicContact OE1-NE 2.99Å; E2-R10 PolarHBondContact OE1-NE 2.88Å; E2-R10 IonicContact OE1-NH1 3Å; E2-R10 IonicContact OE1-NH2 2.81Å; E2-R10 PolarHBondContact OE1-NH2 3.06Å; E2-R10 IonicContact OE2-CZ 2.7Å; E2-R10 VanDerWaalsContact OE2-CZ 3.24Å; E2-R10 IonicContact OE2-NE 3.03Å; E2-R10 PolarHBondContact OE2-NE 2.86Å; E2-R10 IonicContact OE2-NH2 3.14Å; E2-R10 PolarHBondContact OE2-NH2 3.17Å; R10-G26 CarbonylContact O-C 3.19Å; R10-G26 WeakPolarHBondContact O-CA 3.3Å; R10-I27 PolarHBondContact N-O 2.86Å; R10-I27 PolarHBondContact O-N 3.24Å; R10-I29 HydrophobicContact CB-CD1 4.34Å; R10-I29 HydrophobicContact CB-CG1 4.09Å
11L95.1Very high84.2Confident29 Ų2972.4 Ų72.415%0.15238%0.376CS..EExtended strand (participates in β ladder)trans-77.5130.4174.4-167.370.9000109.5L3 Y24 I37 L39L3-L11 HydrophobicContact CB-CB 4.02Å; L3-L11 HydrophobicContact CB-CD2 4.26Å; L3-L11 HydrophobicContact CD1-CD2 4.1Å; L3-L11 PolarHBondContact O-N 3.1Å; L11-Y24 VanDerWaalsContact CD1-CB 3.46Å; L11-Y24 HydrophobicContact CD1-CD1 4.22Å; L11-Y24 HydrophobicContact CD1-CD2 4.33Å; L11-Y24 HydrophobicContact CD1-CG 3.77Å; L11-Y24 HydrophobicContact CD2-CD1 4.35Å; L11-Y24 HydrophobicContact CG-CD1 4.2Å; L11-Y24 HydrophobicContact CG-CG 4.26Å; L11-I37 HydrophobicContact CD1-CB 4.01Å; L11-I37 HydrophobicContact CD1-CD1 3.91Å; L11-I37 HydrophobicContact CD1-CG1 4.47Å; L11-I37 HydrophobicContact CD1-CG2 3.96Å; L11-L39 HydrophobicContact CD1-CD1 4.22Å; L11-L39 HydrophobicContact CD2-CD1 3.94Å
12G95.1Very high86.2Confident40 Ų4063.8 Ų63.841%0.41233%0.334SS..EExtended strand (participates in β ladder)trans-107-148.1178.100000112.2Y24 L25G12-Y24 WeakPolarHBondContact O-CD1 3.14Å; G12-L25 CarbonylContact C-O 3.58Å; G12-L25 WeakPolarHBondContact CA-O 3.45Å; G12-L25 PolarHBondContact N-O 2.85Å
13R94.4Very high87.4Confident118 Ų11860.6 Ų60.645%0.44532%0.32SS..EExtended strand (participates in β ladder)trans-72.7151.4179.669.7-177.8-175-84.9-5.1111.8I15 Y24 L25 M383R13-I15 HydrophobicContact CG-CG2 4.17Å; R13-Y24 WeakPolarHBondContact O-CA 3.18Å; R13-L25 PolarHBondContact O-N 2.98Å; R13-M383 PolarHBondContact NH2-SD 3.44Å
14K94.4Very high88.1Confident98 Ų9857.5 Ų57.543%0.42630%0.301SS..EExtended strand (participates in β ladder)trans-62.2134166.2-171172.5176.9168.30109.2G16 D22 Y24K14-G16 VanDerWaalsContact CE-O 3.3Å; K14-G16 WeakPolarHBondContact CE-O 3.33Å; K14-D22 HydrophobicContact CD-CB 4.43Å; K14-D22 WeakPolarHBondContact CE-OD1 3.42Å; K14-D22 WeakPolarHBondContact CE-OD2 3.26Å; K14-D22 IonicContact NZ-OD1 3.97Å; K14-D22 PolarHBondContact NZ-OD1 3.04Å; K14-D22 IonicContact NZ-OD2 2.9Å; K14-D22 PolarHBondContact NZ-OD2 3.49Å; K14-Y24 HydrophobicContact CB-CD1 3.98Å; K14-Y24 HydrophobicContact CB-CE1 3.72Å; K14-Y24 HydrophobicContact CG-CE1 4.35Å
15I92.1Very high88.5Confident50 Ų5051.8 Ų51.826%0.25628%0.28SS..EExtended strand (participates in β ladder)trans-119.5-12.3178.859.1175.6000112.8R13 I23 L25 L84R13-I15 HydrophobicContact CG-CG2 4.17Å; I15-I23 HydrophobicContact CD1-CG2 4.03Å; I15-I23 HydrophobicContact CG1-CB 4.28Å; I15-I23 HydrophobicContact CG1-CG2 3.86Å; I15-I23 WeakPolarHBondContact CG1-O 3.35Å; I15-I23 PolarHBondContact N-O 2.74Å; I15-L25 HydrophobicContact CD1-CB 4.49Å; I15-L25 HydrophobicContact CG2-CB 3.85Å; I15-L84 HydrophobicContact CD1-CD1 4.13Å
16G87.7Confident89Confident28 Ų2851.4 Ų51.429%0.28928%0.278SS..EExtended strand (participates in β ladder)trans-176.2-179.7174.100000112.3K14 I23K14-G16 VanDerWaalsContact CE-O 3.3Å; K14-G16 WeakPolarHBondContact CE-O 3.33Å; G16-I23 PolarHBondContact N-O 3.49Å; G16-I23 PolarHBondContact O-N 3.02Å
17S83.6Confident89.5Confident58 Ų5853.6 Ų53.641%0.40629%0.285SS..EExtended strand (participates in β ladder)trans-130136.7169.644.30000108.4
18G70.6Confident89.9Confident27 Ų2748 Ų4828%0.27826%0.255SS..EExtended strand (participates in β ladder)trans-107.3177.6171.500000110.9F20 G21G18-F20 PolarHBondContact O-N 3.11Å; G18-G21 PolarHBondContact N-O 3.31Å
19S63.9Low90Very high23 Ų2345.4 Ų45.416%0.16125%0.246CC..THydrogen-bonded Turntrans-61-20.8-177.7-58.60000114.5
20F71.9Confident89.9Confident46 Ų4649.2 Ų49.220%0.20228%0.281CS..THydrogen-bonded Turntrans-133.215.8-171.3-51.3-71.3000113.5G18 E40 L152G18-F20 PolarHBondContact O-N 3.11Å; F20-E40 WeakPolarHBondContact O-CB 3.34Å; F20-E40 WeakPolarHBondContact O-CG 3.29Å; F20-L152 HydrophobicContact CE2-CD2 4.21Å; F20-L152 HydrophobicContact CE2-CG 3.98Å; F20-L152 HydrophobicContact CZ-CD2 3.6Å; F20-L152 HydrophobicContact CZ-CG 3.86Å
21G83.3Confident89.9Confident17 Ų1749.3 Ų49.318%0.17529%0.292CS..EExtended strand (participates in β ladder)trans163.1169.1-179.100000114.1G18 L39G18-G21 PolarHBondContact N-O 3.31Å; G21-L39 CarbonylContact C-O 3.54Å; G21-L39 WeakPolarHBondContact CA-O 3.32Å
22D91.5Very high89.9Confident53 Ų5350 Ų5028%0.28331%0.306SS..EExtended strand (participates in β ladder)trans-90.6145.1178.8-76.8-22.7000111K14 Y24 K38 L39K14-D22 HydrophobicContact CD-CB 4.43Å; K14-D22 WeakPolarHBondContact CE-OD1 3.42Å; K14-D22 WeakPolarHBondContact CE-OD2 3.26Å; K14-D22 IonicContact NZ-OD1 3.97Å; K14-D22 PolarHBondContact NZ-OD1 3.04Å; K14-D22 IonicContact NZ-OD2 2.9Å; K14-D22 PolarHBondContact NZ-OD2 3.49Å; D22-Y24 HydrophobicContact CB-CD2 4.25Å; D22-Y24 HydrophobicContact CB-CE2 3.45Å; D22-Y24 VanDerWaalsContact CB-CE2 3.45Å; D22-K38 WeakPolarHBondContact O-CA 3.36Å; D22-L39 PolarHBondContact N-O 2.83Å; D22-L39 PolarHBondContact O-N 3.28Å
23I94.3Very high90Very high37 Ų3752 Ų5219%0.1930%0.304CS..EExtended strand (participates in β ladder)trans-108.2128.4179.7-46.2-60.6000109.2I15 G16 A36 I37 K38I15-I23 HydrophobicContact CD1-CG2 4.03Å; I15-I23 HydrophobicContact CG1-CB 4.28Å; I15-I23 HydrophobicContact CG1-CG2 3.86Å; I15-I23 WeakPolarHBondContact CG1-O 3.35Å; I15-I23 PolarHBondContact N-O 2.74Å; G16-I23 PolarHBondContact N-O 3.49Å; G16-I23 PolarHBondContact O-N 3.02Å; I23-A36 HydrophobicContact CG2-CB 4.37Å; I23-I37 WeakPolarHBondContact CA-O 3.26Å; I23-K38 HydrophobicContact CD1-CB 3.61Å; I23-K38 HydrophobicContact CD1-CD 3.63Å; I23-K38 HydrophobicContact CD1-CG 3.44Å; I23-K38 VanDerWaalsContact CD1-CG 3.44Å
24Y95.8Very high90.1Very high52 Ų5248.2 Ų48.220%0.20429%0.292CS..EExtended strand (participates in β ladder)trans-120.7146.6-179.6-67.3-101.7000110.7L11 G12 R13 K14 D22 I37 L39L11-Y24 VanDerWaalsContact CD1-CB 3.46Å; L11-Y24 HydrophobicContact CD1-CD1 4.22Å; L11-Y24 HydrophobicContact CD1-CD2 4.33Å; L11-Y24 HydrophobicContact CD1-CG 3.77Å; L11-Y24 HydrophobicContact CD2-CD1 4.35Å; L11-Y24 HydrophobicContact CG-CD1 4.2Å; L11-Y24 HydrophobicContact CG-CG 4.26Å; G12-Y24 WeakPolarHBondContact O-CD1 3.14Å; R13-Y24 WeakPolarHBondContact O-CA 3.18Å; K14-Y24 HydrophobicContact CB-CD1 3.98Å; K14-Y24 HydrophobicContact CB-CE1 3.72Å; K14-Y24 HydrophobicContact CG-CE1 4.35Å; D22-Y24 HydrophobicContact CB-CD2 4.25Å; D22-Y24 HydrophobicContact CB-CE2 3.45Å; D22-Y24 VanDerWaalsContact CB-CE2 3.45Å; Y24-I37 PolarHBondContact N-O 3.31Å; Y24-I37 PolarHBondContact O-N 2.7Å; Y24-L39 HydrophobicContact CD2-CD1 3.79Å; Y24-L39 HydrophobicContact CD2-CG 4.12Å; Y24-L39 HydrophobicContact CE2-CD1 3.69Å; Y24-L39 HydrophobicContact CE2-CG 4.27Å
25L96.9Very high90.3Very high13 Ų1343.5 Ų43.57%0.06827%0.271CS..EExtended strand (participates in β ladder)trans-68.8136.6161.5179.264.8000108G12 R13 I15 E34 L84 M383G12-L25 CarbonylContact C-O 3.58Å; G12-L25 WeakPolarHBondContact CA-O 3.45Å; G12-L25 PolarHBondContact N-O 2.85Å; R13-L25 PolarHBondContact O-N 2.98Å; I15-L25 HydrophobicContact CD1-CB 4.49Å; I15-L25 HydrophobicContact CG2-CB 3.85Å; L25-E34 HydrophobicContact CD1-CB 4.22Å; L25-E34 HydrophobicContact CD1-CG 4.45Å; L25-L84 HydrophobicContact CD1-CD1 4.22Å; L25-L84 HydrophobicContact CD1-CD2 3.64Å; L25-M383 HydrophobicContact CD2-CE 4.14Å
26G97.1Very high90.5Very high0 Ų041.6 Ų41.60%026%0.263CS..EExtended strand (participates in β ladder)trans-131.3168.2171.600000112R10 E34 V35R10-G26 CarbonylContact O-C 3.19Å; R10-G26 WeakPolarHBondContact O-CA 3.3Å; G26-E34 WeakPolarHBondContact O-CA 3.33Å; G26-V35 PolarHBondContact N-O 2.83Å; G26-V35 PolarHBondContact O-N 3.01Å
27I97.4Very high90.9Very high64 Ų6440.2 Ų40.233%0.32825%0.249SC..EExtended strand (participates in β ladder)trans-131.6126.9175.5-60.2173.5000108.4Y9 R10 I29 E33 E34Y9-I27 CarbonylContact C-O 3.56Å; Y9-I27 WeakPolarHBondContact CA-O 3.34Å; R10-I27 PolarHBondContact N-O 2.86Å; R10-I27 PolarHBondContact O-N 3.24Å; I27-I29 PolarHBondContact O-N 3.04Å; I27-E33 CarbonylContact C-O 3.6Å; I27-E33 WeakPolarHBondContact CA-O 3.11Å; I27-E34 HydrophobicContact CG1-CG 4.41Å
28N97.1Very high91.5Very high21 Ų2137.8 Ų37.811%0.11223%0.231CC..EExtended strand (participates in β ladder)trans-67.6117.6166.1-177.6-31.8000108.7Y9 A30 T31 G32 E33Y9-N28 HydrophobicContact CD1-CB 3.94Å; Y9-N28 HydrophobicContact CE1-CB 3.87Å; N28-A30 VanDerWaalsContact C-N 3.28Å; N28-A30 PolarHBondContact O-N 3.46Å; N28-A30 PolarHBondContact OD1-N 3.12Å; N28-T31 WeakPolarHBondContact CB-OG1 3.38Å; N28-T31 VanDerWaalsContact CG-OG1 3.24Å; N28-T31 PolarHBondContact O-N 3.14Å; N28-T31 PolarHBondContact OD1-N 2.99Å; N28-G32 WeakPolarHBondContact O-CA 2.89Å; N28-G32 PolarHBondContact O-N 3.4Å; N28-E33 HydrophobicContact CB-CB 4.28Å; N28-E33 PolarHBondContact N-O 3.29Å
29I95.6Very high92.6Very high73 Ų7337.4 Ų37.437%0.37422%0.223SC..THydrogen-bonded Turntrans-67.1-32.2-171.2-59.3166.4000111.3R4 K8 R10 I27R4-I29 HydrophobicContact CG-CD1 4.32Å; K8-I29 WeakPolarHBondContact O-CG1 3.13Å; K8-I29 PolarHBondContact O-N 3.25Å; R10-I29 HydrophobicContact CB-CD1 4.34Å; R10-I29 HydrophobicContact CB-CG1 4.09Å; I27-I29 PolarHBondContact O-N 3.04Å
30A95.2Very high94Very high96 Ų9636.5 Ų36.579%0.79322%0.216SC*.THydrogen-bonded Turntrans-78-37.2-17800000112.7N28N28-A30 VanDerWaalsContact C-N 3.28Å; N28-A30 PolarHBondContact O-N 3.46Å; N28-A30 PolarHBondContact OD1-N 3.12Å
31T96.3Very high95Very high93 Ų9336.5 Ų36.557%0.57122%0.221SC*.THydrogen-bonded Turntrans-105.8-13.9-172.963.60000114N28 E33N28-T31 WeakPolarHBondContact CB-OG1 3.38Å; N28-T31 VanDerWaalsContact CG-OG1 3.24Å; N28-T31 PolarHBondContact O-N 3.14Å; N28-T31 PolarHBondContact OD1-N 2.99Å; T31-E33 PolarHBondContact O-N 3.35Å; T31-E33 VanDerWaalsContact OG1-CB 3.26Å; T31-E33 WeakPolarHBondContact OG1-CB 3.23Å; T31-E33 PolarHBondContact OG1-N 3.02Å
32G94.9Very high95.3Very high44 Ų4438.5 Ų38.545%0.45423%0.23SC..  trans69.28.2-170.700000114N28N28-G32 WeakPolarHBondContact O-CA 2.89Å; N28-G32 PolarHBondContact O-N 3.4Å
33E95.8Very high95.2Very high81 Ų8143 Ų4338%0.37925%0.247SC..  trans-70.9130.1-179.1-173-173-16900111.2I27 N28 T31 K69I27-E33 CarbonylContact C-O 3.6Å; I27-E33 WeakPolarHBondContact CA-O 3.11Å; N28-E33 HydrophobicContact CB-CB 4.28Å; N28-E33 PolarHBondContact N-O 3.29Å; T31-E33 PolarHBondContact O-N 3.35Å; T31-E33 VanDerWaalsContact OG1-CB 3.26Å; T31-E33 WeakPolarHBondContact OG1-CB 3.23Å; T31-E33 PolarHBondContact OG1-N 3.02Å; E33-K69 WeakPolarHBondContact OE1-CE 2.96Å; E33-K69 IonicContact OE1-NZ 3.96Å; E33-K69 PolarHBondContact OE1-NZ 3.09Å; E33-K69 IonicContact OE2-NZ 3.68Å; E33-K69 PolarHBondContact OE2-NZ 3.43Å
34E97.1Very high94.8Very high38 Ų3844.3 Ų44.318%0.17826%0.256CS..EExtended strand (participates in β ladder)trans-76.4136.7172.5-69.9177.3130.800110.9L25 G26 I27 L84 R379 M383L25-E34 HydrophobicContact CD1-CB 4.22Å; L25-E34 HydrophobicContact CD1-CG 4.45Å; G26-E34 WeakPolarHBondContact O-CA 3.33Å; I27-E34 HydrophobicContact CG1-CG 4.41Å; E34-L84 HydrophobicContact CB-CD2 3.69Å; E34-R379 IonicContact OE1-NH2 2.64Å; E34-R379 IonicContact OE2-CZ 2.72Å; E34-R379 VanDerWaalsContact OE2-CZ 3.29Å; E34-R379 IonicContact OE2-NE 3.12Å; E34-R379 PolarHBondContact OE2-NE 3.31Å; E34-R379 IonicContact OE2-NH2 3.8Å; E34-R379 PolarHBondContact OE2-NH2 2.98Å; E34-M383 WeakPolarHBondContact OE1-CE 3.37Å
35V97.8Very high94.1Very high0 Ų050.1 Ų50.10%028%0.283CS..EExtended strand (participates in β ladder)trans-133.5160.1-176.6-620000110.6Y9 G26 I37 K69 V81Y9-V35 HydrophobicContact CD1-CG2 3.98Å; Y9-V35 HydrophobicContact CE1-CG1 4.37Å; G26-V35 PolarHBondContact N-O 2.83Å; G26-V35 PolarHBondContact O-N 3.01Å; V35-I37 HydrophobicContact CG2-CD1 4.27Å; V35-I37 HydrophobicContact CG2-CG1 3.99Å; V35-K69 HydrophobicContact CB-CD 4.5Å; V35-K69 HydrophobicContact CG1-CD 3.55Å; V35-V81 HydrophobicContact CB-CG1 3.78Å; V35-V81 HydrophobicContact CG1-CG1 4.15Å; V35-V81 HydrophobicContact CG2-CG1 3.69Å
36A97.4Very high93.5Very high9 Ų955.2 Ų55.27%0.07431%0.306CS..EExtended strand (participates in β ladder)trans-97.1135.4165.200000109.5I23 V81 M82 L84I23-A36 HydrophobicContact CG2-CB 4.37Å; A36-V81 WeakPolarHBondContact O-CA 3.35Å; A36-M82 HydrophobicContact CB-CG 3.83Å; A36-M82 PolarHBondContact N-O 3.44Å; A36-M82 PolarHBondContact O-N 2.98Å; A36-L84 HydrophobicContact CB-CD1 4.08Å
37I96.3Very high92.9Very high0 Ų058.3 Ų58.30%033%0.326CS..EExtended strand (participates in β ladder)trans-120.3112.9180-53.1-173.3000108.4L11 I23 Y24 V35 L39 V79 V81L11-I37 HydrophobicContact CD1-CB 4.01Å; L11-I37 HydrophobicContact CD1-CD1 3.91Å; L11-I37 HydrophobicContact CD1-CG1 4.47Å; L11-I37 HydrophobicContact CD1-CG2 3.96Å; I23-I37 WeakPolarHBondContact CA-O 3.26Å; Y24-I37 PolarHBondContact N-O 3.31Å; Y24-I37 PolarHBondContact O-N 2.7Å; V35-I37 HydrophobicContact CG2-CD1 4.27Å; V35-I37 HydrophobicContact CG2-CG1 3.99Å; I37-L39 HydrophobicContact CG2-CD2 3.93Å; I37-L39 HydrophobicContact CG2-CG 4.31Å; I37-V79 HydrophobicContact CG2-CG1 3.51Å; I37-V81 HydrophobicContact CD1-CG2 4.47Å; I37-V81 HydrophobicContact CG1-CG1 4.41Å; I37-V81 HydrophobicContact CG1-CG2 4.18Å; I37-V81 HydrophobicContact CG2-CG2 4.37Å
38K95.2Very high92.5Very high6 Ų657.6 Ų57.63%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-91.9127.3173.1-174.1164.5-171.6-175.40109D22 I23 L49 E52 V79 M80 M82 D149D22-K38 WeakPolarHBondContact O-CA 3.36Å; I23-K38 HydrophobicContact CD1-CB 3.61Å; I23-K38 HydrophobicContact CD1-CD 3.63Å; I23-K38 HydrophobicContact CD1-CG 3.44Å; I23-K38 VanDerWaalsContact CD1-CG 3.44Å; K38-L49 HydrophobicContact CB-CD1 4.22Å; K38-L49 HydrophobicContact CD-CD1 3.57Å; K38-L49 HydrophobicContact CG-CD1 3.66Å; K38-E52 VanDerWaalsContact NZ-CD 3.25Å; K38-E52 IonicContact NZ-OE1 3.18Å; K38-E52 PolarHBondContact NZ-OE1 3.26Å; K38-E52 IonicContact NZ-OE2 3.84Å; K38-E52 PolarHBondContact NZ-OE2 3.4Å; K38-V79 WeakPolarHBondContact O-CA 3.4Å; K38-M80 HydrophobicContact CB-CB 4.45Å; K38-M80 HydrophobicContact CD-CE 4.17Å; K38-M80 PolarHBondContact N-O 3.19Å; K38-M80 PolarHBondContact O-N 3.08Å; K38-M82 HydrophobicContact CB-CE 4.16Å; K38-D149 IonicContact NZ-OD1 3.71Å; K38-D149 PolarHBondContact NZ-OD1 3.41Å
39L94Very high92.2Very high20 Ų2056.6 Ų56.611%0.10532%0.316CS..EExtended strand (participates in β ladder)trans-116.1126.1178.8-61.3-179.3000110L11 G21 D22 Y24 I37 Y77 V79L11-L39 HydrophobicContact CD1-CD1 4.22Å; L11-L39 HydrophobicContact CD2-CD1 3.94Å; G21-L39 CarbonylContact C-O 3.54Å; G21-L39 WeakPolarHBondContact CA-O 3.32Å; D22-L39 PolarHBondContact N-O 2.83Å; D22-L39 PolarHBondContact O-N 3.28Å; Y24-L39 HydrophobicContact CD2-CD1 3.79Å; Y24-L39 HydrophobicContact CD2-CG 4.12Å; Y24-L39 HydrophobicContact CE2-CD1 3.69Å; Y24-L39 HydrophobicContact CE2-CG 4.27Å; I37-L39 HydrophobicContact CG2-CD2 3.93Å; I37-L39 HydrophobicContact CG2-CG 4.31Å; L39-Y77 HydrophobicContact CB-CD1 4.09Å; L39-V79 HydrophobicContact CD2-CB 3.91Å; L39-V79 HydrophobicContact CD2-CG1 3.53Å; L39-V79 HydrophobicContact CD2-CG2 3.43Å; L39-V79 VanDerWaalsContact CD2-CG2 3.43Å
40E94.1Very high91.9Very high4 Ų456.9 Ų56.92%0.01932%0.316CS..EExtended strand (participates in β ladder)trans-119.5125.9173.7171.9-173.4-111.500108.6F20 V42 T44 P47 Q48 L49 Y77 N78F20-E40 WeakPolarHBondContact O-CB 3.34Å; F20-E40 WeakPolarHBondContact O-CG 3.29Å; E40-V42 PolarHBondContact O-N 3.24Å; E40-T44 HydrophobicContact CG-CG2 4Å; E40-P47 WeakPolarHBondContact OE1-CA 3.42Å; E40-Q48 PolarHBondContact OE1-N 3.26Å; E40-Q48 PolarHBondContact OE2-N 3.38Å; E40-L49 HydrophobicContact CB-CB 3.94Å; E40-L49 HydrophobicContact CB-CD2 3.95Å; E40-L49 HydrophobicContact CG-CB 4.47Å; E40-L49 PolarHBondContact OE1-N 3.49Å; E40-L49 VanDerWaalsContact OE2-CB 3.25Å; E40-L49 WeakPolarHBondContact OE2-CB 3.36Å; E40-L49 PolarHBondContact OE2-N 2.92Å; E40-L49 VanDerWaalsContact OE2-N 3.12Å; E40-Y77 CarbonylContact O-C 3.59Å; E40-Y77 VanDerWaalsContact O-CA 3.3Å; E40-Y77 WeakPolarHBondContact O-CA 3.39Å; E40-N78 HydrophobicContact CB-CB 4.25Å; E40-N78 PolarHBondContact N-O 2.82Å; E40-N78 PolarHBondContact O-N 3.17Å; E40-N78 PolarHBondContact OE2-ND2 3.34Å
41C91.6Very high91.6Very high46 Ų4656.7 Ų56.731%0.31130%0.3SS..EExtended strand (participates in β ladder)trans-66.2129.4176.4-174.70000110.6K43 T44 D76 Y77C41-K43 PolarHBondContact O-N 3.45Å; C41-K43 VanDerWaalsContact O-N 3.14Å; C41-T44 WeakPolarHBondContact O-CB 3.37Å; C41-T44 WeakPolarHBondContact O-CG2 3.34Å; C41-T44 PolarHBondContact O-N 3.42Å; C41-D76 WeakPolarHBondContact CA-O 3.33Å; C41-Y77 HydrophobicContact CB-CD1 4.34Å; C41-Y77 HydrophobicContact CB-CE1 4.13Å
42V89.5Confident91.4Very high58 Ų5852.3 Ų52.335%0.35227%0.273SS..THydrogen-bonded Turntrans-62.8-22.5179.9-59.10000113.1E40 T44 D76E40-V42 PolarHBondContact O-N 3.24Å; V42-T44 PolarHBondContact O-N 3.07Å; V42-D76 WeakPolarHBondContact CG2-O 3.27Å; V42-D76 PolarHBondContact N-O 3.19Å
43K89.1Confident91.3Very high149 Ų14950.4 Ų50.465%0.64825%0.253SS*.THydrogen-bonded Turntrans-80.4-1178.5-61.1171.1179.1157.10112.9C41 D76C41-K43 PolarHBondContact O-N 3.45Å; C41-K43 VanDerWaalsContact O-N 3.14Å; K43-D76 IonicContact NZ-OD1 2.75Å; K43-D76 IonicContact NZ-OD2 3.28Å; K43-D76 PolarHBondContact NZ-OD2 2.97Å
44T86.3Confident91.1Very high63 Ų6353.1 Ų53.139%0.38726%0.263SS..SBendtrans-61.7144.4173.1-168.90000110.4E40 C41 V42 H46 P47E40-T44 HydrophobicContact CG-CG2 4Å; C41-T44 WeakPolarHBondContact O-CB 3.37Å; C41-T44 WeakPolarHBondContact O-CG2 3.34Å; C41-T44 PolarHBondContact O-N 3.42Å; V42-T44 PolarHBondContact O-N 3.07Å; T44-H46 PolarHBondContact O-N 3.29Å; T44-P47 HydrophobicContact CG2-CB 3.82Å
45K82.4Confident90.8Very high175 Ų17552.3 Ų52.376%0.76126%0.26SS*.SBendtrans-62.2-29.8-176.2-67.2-173.7179.7-179.50113.1
46H82.8Confident90.7Very high119 Ų11952.4 Ų52.455%0.55126%0.26SS*.SBendtrans-137.379.5-175.7-57.5-55.7000109.9T44 Q48T44-H46 PolarHBondContact O-N 3.29Å; H46-Q48 WeakPolarHBondContact O-CG 3.44Å; H46-Q48 PolarHBondContact O-N 2.72Å
47P85.6Confident90.4Very high65 Ų6558.3 Ų58.342%0.42228%0.284SS..  trans-68.6128.9179.527.1-32.7000110.4E40 T44E40-P47 WeakPolarHBondContact OE1-CA 3.42Å; T44-P47 HydrophobicContact CG2-CB 3.82Å
48Q88.3Confident90.3Very high50 Ų5063.1 Ų63.123%0.23431%0.308CS..  trans-128.1-10.7-172.3-70175.827.800112.9E40 H46 H50 I51 E52 G151E40-Q48 PolarHBondContact OE1-N 3.26Å; E40-Q48 PolarHBondContact OE2-N 3.38Å; H46-Q48 WeakPolarHBondContact O-CG 3.44Å; H46-Q48 PolarHBondContact O-N 2.72Å; Q48-H50 VanDerWaalsContact C-N 3.32Å; Q48-H50 PolarHBondContact O-N 3.23Å; Q48-I51 CarbonylContact O-C 3.51Å; Q48-I51 WeakPolarHBondContact O-CA 3.44Å; Q48-I51 WeakPolarHBondContact O-CB 3.4Å; Q48-I51 PolarHBondContact O-N 2.88Å; Q48-E52 PolarHBondContact O-N 2.96Å; Q48-G151 PolarHBondContact OE1-O 2.82Å; Q48-G151 VanDerWaalsContact OE1-O 3.09Å
49L90.4Very high90.2Very high0 Ų062.9 Ų62.90%031%0.306CS..Hα-helixtrans-62.4-37.6-173.1-167.564.8000113.2K38 E40 I51 E52 S53 N78 M80K38-L49 HydrophobicContact CB-CD1 4.22Å; K38-L49 HydrophobicContact CD-CD1 3.57Å; K38-L49 HydrophobicContact CG-CD1 3.66Å; E40-L49 HydrophobicContact CB-CB 3.94Å; E40-L49 HydrophobicContact CB-CD2 3.95Å; E40-L49 HydrophobicContact CG-CB 4.47Å; E40-L49 PolarHBondContact OE1-N 3.49Å; E40-L49 VanDerWaalsContact OE2-CB 3.25Å; E40-L49 WeakPolarHBondContact OE2-CB 3.36Å; E40-L49 PolarHBondContact OE2-N 2.92Å; E40-L49 VanDerWaalsContact OE2-N 3.12Å; L49-I51 VanDerWaalsContact C-N 3.32Å; L49-I51 PolarHBondContact O-N 2.84Å; L49-E52 PolarHBondContact O-N 3.47Å; L49-S53 PolarHBondContact O-N 2.82Å; L49-N78 HydrophobicContact CB-CB 4.19Å; L49-N78 HydrophobicContact CD2-CB 3.94Å; L49-N78 VanDerWaalsContact CD2-O 3.3Å; L49-N78 WeakPolarHBondContact CD2-O 3.35Å; L49-M80 HydrophobicContact CD1-CB 3.92Å; L49-M80 HydrophobicContact CD1-CE 3.58Å; L49-M80 HydrophobicContact CD1-SD 4.33Å; L49-M80 HydrophobicContact CD2-CB 3.94Å; L49-M80 HydrophobicContact CG-CB 3.93Å
50H89.5Confident90.1Very high79 Ų7965.5 Ų65.537%0.36632%0.318SS..Hα-helixtrans-63.7-38.6173.8-79.399.5000112.2Q48 S53 K54 N78Q48-H50 VanDerWaalsContact C-N 3.32Å; Q48-H50 PolarHBondContact O-N 3.23Å; H50-S53 PolarHBondContact O-N 2.81Å; H50-S53 PolarHBondContact O-OG 3.03Å; H50-K54 PolarHBondContact O-N 2.99Å; H50-N78 PolarHBondContact CE1-OD1 3.31Å; H50-N78 PolarHBondContact ND1-OD1 2.8Å
51I89.6Confident90Very high91 Ų9169 Ų6947%0.46736%0.356SS..Hα-helixtrans-66.7-49.3176.8-64.3171.6000109Q48 L49 S53 K54 F55Q48-I51 CarbonylContact O-C 3.51Å; Q48-I51 WeakPolarHBondContact O-CA 3.44Å; Q48-I51 WeakPolarHBondContact O-CB 3.4Å; Q48-I51 PolarHBondContact O-N 2.88Å; L49-I51 VanDerWaalsContact C-N 3.32Å; L49-I51 PolarHBondContact O-N 2.84Å; I51-S53 VanDerWaalsContact C-N 3.28Å; I51-S53 PolarHBondContact O-N 2.85Å; I51-K54 WeakPolarHBondContact O-CB 3.3Å; I51-K54 PolarHBondContact O-N 3.39Å; I51-F55 HydrophobicContact CG2-CD2 4.05Å; I51-F55 HydrophobicContact CG2-CE2 3.6Å; I51-F55 VanDerWaalsContact O-CD2 3.29Å; I51-F55 WeakPolarHBondContact O-CD2 3.3Å; I51-F55 PolarHBondContact O-N 2.91Å
52E92.1Very high90.3Very high1 Ų167.2 Ų67.21%0.00535%0.345CS..Hα-helixtrans-53.8-43175.8-169.3-176.117000111.7K38 Q48 L49 K54 F55 Y56 M80 F150K38-E52 VanDerWaalsContact NZ-CD 3.25Å; K38-E52 IonicContact NZ-OE1 3.18Å; K38-E52 PolarHBondContact NZ-OE1 3.26Å; K38-E52 IonicContact NZ-OE2 3.84Å; K38-E52 PolarHBondContact NZ-OE2 3.4Å; Q48-E52 PolarHBondContact O-N 2.96Å; L49-E52 PolarHBondContact O-N 3.47Å; E52-K54 VanDerWaalsContact C-N 3.26Å; E52-K54 PolarHBondContact O-N 3.28Å; E52-F55 WeakPolarHBondContact O-CB 3.43Å; E52-F55 PolarHBondContact O-N 3.47Å; E52-F55 VanDerWaalsContact O-N 3.07Å; E52-Y56 HydrophobicContact CG-CD2 4.1Å; E52-Y56 HydrophobicContact CG-CE2 3.79Å; E52-Y56 WeakPolarHBondContact O-CD2 3.45Å; E52-Y56 PolarHBondContact O-N 2.9Å; E52-Y56 VanDerWaalsContact O-N 3.09Å; E52-Y56 WeakPolarHBondContact OE1-CE2 3.42Å; E52-M80 HydrophobicContact CG-CE 4.06Å; E52-F150 HydrophobicContact CG-CB 4.05Å; E52-F150 PolarHBondContact OE1-N 2.93Å
53S92.2Very high90.7Very high5 Ų568.9 Ų68.94%0.03536%0.355CS..Hα-helixtrans-60.9-33177.180.40000113.2L49 H50 I51 K57L49-S53 PolarHBondContact O-N 2.82Å; H50-S53 PolarHBondContact O-N 2.81Å; H50-S53 PolarHBondContact O-OG 3.03Å; I51-S53 VanDerWaalsContact C-N 3.28Å; I51-S53 PolarHBondContact O-N 2.85Å; S53-K57 WeakPolarHBondContact O-CG 3.23Å; S53-K57 PolarHBondContact O-N 2.78Å
54K91.5Very high91.1Very high137 Ų13762 Ų6260%0.59633%0.326SS*.Hα-helixtrans-68.4-39.5175-67.6176.2-179.9178.90111H50 I51 E52 K57 M58H50-K54 PolarHBondContact O-N 2.99Å; I51-K54 WeakPolarHBondContact O-CB 3.3Å; I51-K54 PolarHBondContact O-N 3.39Å; E52-K54 VanDerWaalsContact C-N 3.26Å; E52-K54 PolarHBondContact O-N 3.28Å; K54-K57 PolarHBondContact O-N 3.42Å; K54-M58 WeakPolarHBondContact O-CG 3.29Å; K54-M58 PolarHBondContact O-N 3.32Å
55F91.9Very high91.7Very high22 Ų2259.4 Ų59.410%0.09631%0.31CS..Hα-helixtrans-58.5-50.6173.7-78.2-91.7000111.2I51 E52 K57 M58 M59 F124 F150 A153I51-F55 HydrophobicContact CG2-CD2 4.05Å; I51-F55 HydrophobicContact CG2-CE2 3.6Å; I51-F55 VanDerWaalsContact O-CD2 3.29Å; I51-F55 WeakPolarHBondContact O-CD2 3.3Å; I51-F55 PolarHBondContact O-N 2.91Å; E52-F55 WeakPolarHBondContact O-CB 3.43Å; E52-F55 PolarHBondContact O-N 3.47Å; E52-F55 VanDerWaalsContact O-N 3.07Å; F55-K57 VanDerWaalsContact C-N 3.31Å; F55-K57 PolarHBondContact O-N 2.79Å; F55-M58 PolarHBondContact O-N 3.41Å; F55-M58 VanDerWaalsContact O-N 3.14Å; F55-M59 HydrophobicContact CD1-CE 4.27Å; F55-M59 WeakPolarHBondContact O-CG 3.47Å; F55-M59 PolarHBondContact O-N 3.39Å; F55-F124 AromaticContact CD1-CD1 3.72Å; F55-F124 HydrophobicContact CD1-CD1 3.72Å; F55-F124 HydrophobicContact CD1-CD2 4.3Å; F55-F124 AromaticContact CD1-CE1 3.76Å; F55-F124 HydrophobicContact CD1-CE1 3.76Å; F55-F124 HydrophobicContact CD1-CE2 4.38Å; F55-F124 AromaticContact CD1-CG 3.96Å; F55-F124 HydrophobicContact CD1-CG 3.96Å; F55-F124 HydrophobicContact CD1-CZ 4.11Å; F55-F124 HydrophobicContact CE1-CB 4.39Å; F55-F124 AromaticContact CE1-CD1 3.1Å; F55-F124 HydrophobicContact CE1-CD1 3.1Å; F55-F124 HydrophobicContact CE1-CD2 4.46Å; F55-F124 AromaticContact CE1-CE1 3.22Å; F55-F124 HydrophobicContact CE1-CE1 3.22Å; F55-F124 AromaticContact CE1-CG 3.75Å; F55-F124 HydrophobicContact CE1-CG 3.75Å; F55-F124 HydrophobicContact CE1-CZ 4.03Å; F55-F124 HydrophobicContact CZ-CD1 4.05Å; F55-F124 AromaticContact CZ-CE1 3.93Å; F55-F124 HydrophobicContact CZ-CE1 3.93Å; F55-F150 HydrophobicContact CB-CB 3.85Å; F55-F150 HydrophobicContact CB-CG 4.24Å; F55-F150 HydrophobicContact CG-CB 4.24Å; F55-A153 HydrophobicContact CD1-CB 3.87Å; F55-A153 HydrophobicContact CE1-CB 3.53Å; F55-A153 HydrophobicContact CG-CB 4.47Å; F55-A153 HydrophobicContact CZ-CB 3.99Å; F55-A153 WeakPolarHBondContact CZ-O 3.21Å
56Y94.3Very high92.4Very high2 Ų251.1 Ų51.11%0.00827%0.274CS..Hα-helixtrans-58.3-43.3176.8-80.6-76.8000112.4E52 M58 M59 Q60 I65 P66 I68 M80 D149 F150E52-Y56 HydrophobicContact CG-CD2 4.1Å; E52-Y56 HydrophobicContact CG-CE2 3.79Å; E52-Y56 WeakPolarHBondContact O-CD2 3.45Å; E52-Y56 PolarHBondContact O-N 2.9Å; E52-Y56 VanDerWaalsContact O-N 3.09Å; E52-Y56 WeakPolarHBondContact OE1-CE2 3.42Å; Y56-M58 VanDerWaalsContact C-N 3.31Å; Y56-M58 PolarHBondContact O-N 2.89Å; Y56-M59 CarbonylContact O-C 3.57Å; Y56-M59 PolarHBondContact O-N 3.12Å; Y56-M59 VanDerWaalsContact O-N 3.12Å; Y56-Q60 WeakPolarHBondContact O-CG 3.36Å; Y56-Q60 PolarHBondContact O-N 2.75Å; Y56-I65 HydrophobicContact CD1-CG2 4.27Å; Y56-P66 HydrophobicContact CE1-CB 4.35Å; Y56-P66 HydrophobicContact CE1-CG 3.92Å; Y56-I68 HydrophobicContact CD1-CD1 4.23Å; Y56-I68 HydrophobicContact CD1-CG1 4.36Å; Y56-I68 HydrophobicContact CD2-CD1 3.84Å; Y56-I68 HydrophobicContact CD2-CG1 4.24Å; Y56-I68 HydrophobicContact CE2-CD1 4.4Å; Y56-I68 HydrophobicContact CG-CD1 3.75Å; Y56-I68 HydrophobicContact CG-CG1 3.77Å; Y56-M80 HydrophobicContact CD2-CE 4.06Å; Y56-M80 HydrophobicContact CD2-SD 4.16Å; Y56-M80 HydrophobicContact CE2-CE 3.75Å; Y56-M80 HydrophobicContact CE2-SD 4.44Å; Y56-D149 PolarHBondContact OH-N 3.37Å; Y56-F150 AromaticContact CD1-CD2 3.85Å; Y56-F150 HydrophobicContact CD1-CD2 3.85Å; Y56-F150 AromaticContact CD1-CE2 3.73Å; Y56-F150 HydrophobicContact CD1-CE2 3.73Å; Y56-F150 AromaticContact CD2-CD2 3.98Å; Y56-F150 HydrophobicContact CD2-CD2 3.98Å; Y56-F150 AromaticContact CE1-CD2 3.57Å; Y56-F150 HydrophobicContact CE1-CD2 3.57Å; Y56-F150 AromaticContact CE1-CE2 3.42Å; Y56-F150 HydrophobicContact CE1-CE2 3.42Å; Y56-F150 VanDerWaalsContact CE1-CE2 3.42Å; Y56-F150 AromaticContact CE2-CD2 3.72Å; Y56-F150 HydrophobicContact CE2-CD2 3.72Å; Y56-F150 HydrophobicContact CE2-CE2 4.43Å; Y56-F150 HydrophobicContact CG-CD2 4.03Å; Y56-F150 HydrophobicContact CG-CE2 4.34Å; Y56-F150 AromaticContact CZ-CD2 3.5Å; Y56-F150 VanDerWaalsContact CZ-CD2 3.5Å; Y56-F150 AromaticContact CZ-CE2 3.81Å
57K93Very high92.9Very high133 Ų13347.6 Ų47.658%0.57826%0.263SS*.Hα-helixtrans-58.9-40.8176.7-76.6176-179.6-179.80112.2S53 K54 F55 M59 Q60S53-K57 WeakPolarHBondContact O-CG 3.23Å; S53-K57 PolarHBondContact O-N 2.78Å; K54-K57 PolarHBondContact O-N 3.42Å; F55-K57 VanDerWaalsContact C-N 3.31Å; F55-K57 PolarHBondContact O-N 2.79Å; K57-M59 VanDerWaalsContact C-N 3.29Å; K57-M59 PolarHBondContact O-N 3.32Å; K57-Q60 PolarHBondContact O-N 3.36Å
58M93.1Very high93.4Very high101 Ų10146 Ų4650%0.49825%0.251SS..Hα-helixtrans-70.1-25.3176.8-68.7177.666.300113.7K54 F55 Y56 F124K54-M58 WeakPolarHBondContact O-CG 3.29Å; K54-M58 PolarHBondContact O-N 3.32Å; F55-M58 PolarHBondContact O-N 3.41Å; F55-M58 VanDerWaalsContact O-N 3.14Å; Y56-M58 VanDerWaalsContact C-N 3.31Å; Y56-M58 PolarHBondContact O-N 2.89Å; M58-F124 HydrophobicContact CE-CE2 3.4Å; M58-F124 HydrophobicContact CE-CZ 3.49Å; M58-F124 VanDerWaalsContact CE-CZ 3.49Å; M58-F124 HydrophobicContact SD-CE2 3.97Å; M58-F124 HydrophobicContact SD-CZ 3.74Å
59M93.5Very high93.7Very high0 Ų047 Ų470%025%0.254CS..Hα-helixtrans-94.3-6.7-179.9-66-174.5-169.300113.7F55 Y56 K57 G62 I65 Y118 I119 K122 F124 F150F55-M59 HydrophobicContact CD1-CE 4.27Å; F55-M59 WeakPolarHBondContact O-CG 3.47Å; F55-M59 PolarHBondContact O-N 3.39Å; Y56-M59 CarbonylContact O-C 3.57Å; Y56-M59 PolarHBondContact O-N 3.12Å; Y56-M59 VanDerWaalsContact O-N 3.12Å; K57-M59 VanDerWaalsContact C-N 3.29Å; K57-M59 PolarHBondContact O-N 3.32Å; M59-G62 PolarHBondContact O-N 3.26Å; M59-G62 VanDerWaalsContact O-N 3.15Å; M59-I65 HydrophobicContact CB-CG1 4.42Å; M59-I65 HydrophobicContact CB-CG2 3.97Å; M59-Y118 HydrophobicContact CB-CE1 4.2Å; M59-Y118 WeakPolarHBondContact O-CE1 3.36Å; M59-Y118 PolarHBondContact O-OH 2.87Å; M59-I119 HydrophobicContact CE-CB 4.48Å; M59-I119 HydrophobicContact CE-CG1 4.25Å; M59-I119 HydrophobicContact CE-CG2 3.92Å; M59-I119 HydrophobicContact SD-CG1 4.02Å; M59-K122 HydrophobicContact CG-CB 4.5Å; M59-K122 HydrophobicContact CG-CG 4.45Å; M59-F124 HydrophobicContact CE-CB 4.04Å; M59-F124 HydrophobicContact CE-CD2 3.95Å; M59-F124 HydrophobicContact CE-CG 4.22Å; M59-F150 HydrophobicContact CE-CD1 3.81Å; M59-F150 HydrophobicContact CE-CE1 3.63Å; M59-F150 HydrophobicContact CE-CZ 4.25Å; M59-F150 HydrophobicContact SD-CD1 3.97Å; M59-F150 HydrophobicContact SD-CD2 4.48Å; M59-F150 HydrophobicContact SD-CE1 3.34Å; M59-F150 WeakPolarHBondContact SD-CE1 3.49Å; M59-F150 HydrophobicContact SD-CE2 3.93Å; M59-F150 HydrophobicContact SD-CZ 3.33Å; M59-F150 WeakPolarHBondContact SD-CZ 3.45Å
60Q92.4Very high93.9Very high75 Ų7550.3 Ų50.335%0.3527%0.266SS..THydrogen-bonded Turntrans-50.7146.4179.5-83.2-56.6-4800112.7Y56 K57 G62 P66Y56-Q60 WeakPolarHBondContact O-CG 3.36Å; Y56-Q60 PolarHBondContact O-N 2.75Å; K57-Q60 PolarHBondContact O-N 3.36Å; Q60-G62 PolarHBondContact O-N 3.17Å; Q60-P66 PolarHBondContact NE2-O 2.64Å
61G91.6Very high94.1Very high78 Ų7848 Ų4880%0.80426%0.259SS*.THydrogen-bonded Turntrans81.1-8.5-172.900000114.3
62G96.7Very high94.3Very high9 Ų944.3 Ų44.39%0.09324%0.243CC..  trans-69.9138.5174.300000113.1M59 Q60 G64 I65 Y118M59-G62 PolarHBondContact O-N 3.26Å; M59-G62 VanDerWaalsContact O-N 3.15Å; Q60-G62 PolarHBondContact O-N 3.17Å; G62-G64 PolarHBondContact O-N 3.41Å; G62-I65 PolarHBondContact O-N 3.25Å; G62-I65 VanDerWaalsContact O-N 3.17Å; G62-Y118 VanDerWaalsContact CA-OH 3.23Å; G62-Y118 WeakPolarHBondContact CA-OH 3.44Å; G62-Y118 PolarHBondContact N-OH 3.15Å
63V98.2Very high94.4Very high93 Ų9347.4 Ų47.456%0.56427%0.269SS*.THydrogen-bonded Turntrans-62.9124.1174.7178.30000109.8I65 R115 L144V63-I65 VanDerWaalsContact C-N 3.34Å; V63-R115 VanDerWaalsContact O-CD 3.25Å; V63-R115 WeakPolarHBondContact O-CD 3.42Å; V63-R115 PolarHBondContact O-NE 2.96Å; V63-R115 VanDerWaalsContact O-NE 3.14Å; V63-R115 PolarHBondContact O-NH1 3.06Å; V63-L144 HydrophobicContact CG1-CD1 3.76Å; V63-L144 HydrophobicContact CG1-CD2 4.36Å
64G98Very high94.3Very high3 Ų350.8 Ų50.83%0.03128%0.284CS..THydrogen-bonded Turntrans6929.1-178.400000114.2G62 Y146 I147G62-G64 PolarHBondContact O-N 3.41Å; G64-Y146 VanDerWaalsContact CA-CD1 3.48Å; G64-Y146 WeakPolarHBondContact O-CA 3.47Å; G64-Y146 WeakPolarHBondContact O-CD1 3.23Å; G64-I147 PolarHBondContact O-N 3.41Å
65I98.3Very high94.2Very high9 Ų947.7 Ų47.75%0.04629%0.291CS..  trans-104.8124.7165.1-57-60.2000108.4Y56 M59 G62 V63 Y118 I147 F150Y56-I65 HydrophobicContact CD1-CG2 4.27Å; M59-I65 HydrophobicContact CB-CG1 4.42Å; M59-I65 HydrophobicContact CB-CG2 3.97Å; G62-I65 PolarHBondContact O-N 3.25Å; G62-I65 VanDerWaalsContact O-N 3.17Å; V63-I65 VanDerWaalsContact C-N 3.34Å; I65-Y118 HydrophobicContact CD1-CD1 4.11Å; I65-Y118 HydrophobicContact CD1-CE1 4.27Å; I65-Y118 HydrophobicContact CG1-CD1 3.95Å; I65-Y118 HydrophobicContact CG1-CE1 3.72Å; I65-I147 HydrophobicContact CD1-CG2 3.75Å; I65-F150 HydrophobicContact CD1-CZ 4.16Å
66P96.6Very high94.2Very high1 Ų150.3 Ų50.31%0.00631%0.306CS..PPolyproline II helixtrans-61.4143.6177.4-12.719.9000112.5Y56 Q60 E83 L85 Y146 I147 I148Y56-P66 HydrophobicContact CE1-CB 4.35Å; Y56-P66 HydrophobicContact CE1-CG 3.92Å; Q60-P66 PolarHBondContact NE2-O 2.64Å; P66-E83 HydrophobicContact CB-CB 4.42Å; P66-L85 HydrophobicContact CB-CD1 4.46Å; P66-L85 HydrophobicContact CG-CD1 3.96Å; P66-Y146 HydrophobicContact CG-CD1 4.27Å; P66-I147 WeakPolarHBondContact CD-O 3.33Å; P66-I148 HydrophobicContact CG-CG2 3.72Å
67S95.3Very high94.2Very high46 Ų4655.5 Ų55.532%0.32233%0.326SS..PPolyproline II helixtrans-77.1128.8175-53.10000111.7M82 E83S67-M82 CarbonylContact O-C 3.57Å; S67-M82 VanDerWaalsContact O-CA 3.27Å; S67-M82 WeakPolarHBondContact O-CA 3.37Å; S67-E83 PolarHBondContact N-OE2 3.32Å; S67-E83 VanDerWaalsContact N-OE2 3.08Å; S67-E83 PolarHBondContact O-N 3.14Å; S67-E83 PolarHBondContact OG-OE2 3.25Å
68I94.9Very high94.2Very high32 Ų3249.9 Ų49.916%0.16430%0.303CS..EExtended strand (participates in β ladder)trans-83.8124.7168.7-62.4-58.7000109.2Y56 M80 M82Y56-I68 HydrophobicContact CD1-CD1 4.23Å; Y56-I68 HydrophobicContact CD1-CG1 4.36Å; Y56-I68 HydrophobicContact CD2-CD1 3.84Å; Y56-I68 HydrophobicContact CD2-CG1 4.24Å; Y56-I68 HydrophobicContact CE2-CD1 4.4Å; Y56-I68 HydrophobicContact CG-CD1 3.75Å; Y56-I68 HydrophobicContact CG-CG1 3.77Å; I68-M80 HydrophobicContact CD1-CE 4.44Å; I68-M80 HydrophobicContact CD1-CG 3.81Å; I68-M80 HydrophobicContact CD1-SD 3.64Å; I68-M82 HydrophobicContact CD1-CB 3.81Å; I68-M82 HydrophobicContact CD1-CE 4.26Å
69K94.6Very high94.4Very high69 Ų6945.1 Ų45.130%0.328%0.279SS..EExtended strand (participates in β ladder)trans-95.7-37.9-179.2-65.2176.2176.9-79.20112E33 V35 V81E33-K69 WeakPolarHBondContact OE1-CE 2.96Å; E33-K69 IonicContact OE1-NZ 3.96Å; E33-K69 PolarHBondContact OE1-NZ 3.09Å; E33-K69 IonicContact OE2-NZ 3.68Å; E33-K69 PolarHBondContact OE2-NZ 3.43Å; V35-K69 HydrophobicContact CB-CD 4.5Å; V35-K69 HydrophobicContact CG1-CD 3.55Å; K69-V81 HydrophobicContact CB-CB 4.48Å; K69-V81 HydrophobicContact CB-CG1 4.17Å; K69-V81 HydrophobicContact CD-CG1 4.42Å; K69-V81 PolarHBondContact N-O 2.85Å
70W95.1Very high94.5Very high70 Ų7045.1 Ų45.127%0.26528%0.279SS..EExtended strand (participates in β ladder)trans-159.9150.9-179.7-174.880.7000111.1V5 Y9 V79 V81V5-W70 HydrophobicContact CG1-CE3 3.93Å; V5-W70 HydrophobicContact CG1-CH2 4.09Å; V5-W70 HydrophobicContact CG1-CZ3 3.35Å; Y9-W70 HydrophobicContact CE2-CB 3.81Å; Y9-W70 HydrophobicContact CE2-CG 4.23Å; W70-V79 HydrophobicContact CZ3-CB 3.83Å; W70-V79 HydrophobicContact CZ3-CG1 4.02Å; W70-V81 HydrophobicContact CB-CB 4.15Å; W70-V81 HydrophobicContact CB-CG2 4.33Å; W70-V81 HydrophobicContact CE3-CG2 3.95Å; W70-V81 PolarHBondContact N-O 2.82Å; W70-V81 PolarHBondContact O-N 2.62Å
71C94.4Very high94.6Very high32 Ų3241.6 Ų41.622%0.21626%0.263CS..EExtended strand (participates in β ladder)trans-148138.7170.2-177.20000108.9V79C71-V79 VanDerWaalsContact CA-O 3.26Å; C71-V79 WeakPolarHBondContact CA-O 3.27Å; C71-V79 PolarHBondContact SG-O 2.81Å; C71-V79 VanDerWaalsContact SG-O 3.4Å
72G93.4Very high94.9Very high13 Ų1338.6 Ų38.613%0.13423%0.228CC..EExtended strand (participates in β ladder)trans-177.3-169.8-179.600000111.6V79G72-V79 PolarHBondContact N-O 3.11Å; G72-V79 PolarHBondContact O-N 3.45Å
73A92.8Very high94.9Very high65 Ų6539.8 Ų39.854%0.53723%0.231SC..EExtended strand (participates in β ladder)trans-111141.9174.100000110.1Y77A73-Y77 CarbonylContact C-O 3.58Å; A73-Y77 WeakPolarHBondContact CA-O 3.34Å
74E91.6Very high94.8Very high77 Ų7736.9 Ų36.936%0.3621%0.212SC..EExtended strand (participates in β ladder)trans-140.6109.1176.7-16777.8-127.100108.3G6 D76 Y77 V79G6-E74 PolarHBondContact N-OE2 3.35Å; E74-D76 PolarHBondContact O-N 3.06Å; E74-Y77 PolarHBondContact N-O 3.4Å; E74-Y77 PolarHBondContact O-N 3.37Å; E74-Y77 VanDerWaalsContact O-N 3.12Å; E74-V79 HydrophobicContact CB-CG2 4Å
75G89.4Confident94.8Very high71 Ų7137.4 Ų37.473%0.73221%0.214SC*.THydrogen-bonded Turntrans55.8-126.7-172.900000112.6Y77G75-Y77 PolarHBondContact O-N 3.39Å
76D91.6Very high94.8Very high78 Ų7837.2 Ų37.242%0.41722%0.215SC..THydrogen-bonded Turntrans-83.114.7180-84.5-14.8000113.8C41 V42 K43 E74C41-D76 WeakPolarHBondContact CA-O 3.33Å; V42-D76 WeakPolarHBondContact CG2-O 3.27Å; V42-D76 PolarHBondContact N-O 3.19Å; K43-D76 IonicContact NZ-OD1 2.75Å; K43-D76 IonicContact NZ-OD2 3.28Å; K43-D76 PolarHBondContact NZ-OD2 2.97Å; E74-D76 PolarHBondContact O-N 3.06Å
77Y93.6Very high94.8Very high111 Ų11137.8 Ų37.844%0.43522%0.218SC..EExtended strand (participates in β ladder)trans-129.1135-175.7-63.6-88.5000113.4L39 E40 C41 A73 E74 G75L39-Y77 HydrophobicContact CB-CD1 4.09Å; E40-Y77 CarbonylContact O-C 3.59Å; E40-Y77 VanDerWaalsContact O-CA 3.3Å; E40-Y77 WeakPolarHBondContact O-CA 3.39Å; C41-Y77 HydrophobicContact CB-CD1 4.34Å; C41-Y77 HydrophobicContact CB-CE1 4.13Å; A73-Y77 CarbonylContact C-O 3.58Å; A73-Y77 WeakPolarHBondContact CA-O 3.34Å; E74-Y77 PolarHBondContact N-O 3.4Å; E74-Y77 PolarHBondContact O-N 3.37Å; E74-Y77 VanDerWaalsContact O-N 3.12Å; G75-Y77 PolarHBondContact O-N 3.39Å
78N94.4Very high94.9Very high15 Ų1536.1 Ų36.18%0.0821%0.206CC..EExtended strand (participates in β ladder)trans-75.4139.1153.7-62-36.1000107.9E40 L49 H50E40-N78 HydrophobicContact CB-CB 4.25Å; E40-N78 PolarHBondContact N-O 2.82Å; E40-N78 PolarHBondContact O-N 3.17Å; E40-N78 PolarHBondContact OE2-ND2 3.34Å; L49-N78 HydrophobicContact CB-CB 4.19Å; L49-N78 HydrophobicContact CD2-CB 3.94Å; L49-N78 VanDerWaalsContact CD2-O 3.3Å; L49-N78 WeakPolarHBondContact CD2-O 3.35Å; H50-N78 PolarHBondContact CE1-OD1 3.31Å; H50-N78 PolarHBondContact ND1-OD1 2.8Å
79V95.6Very high95.1Very high1 Ų134.6 Ų34.61%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-133136.9-173.9-172.20000110.7V5 I37 K38 L39 W70 C71 G72 E74 V81V5-V79 HydrophobicContact CB-CG1 4.49Å; V5-V79 HydrophobicContact CG1-CB 4.11Å; V5-V79 HydrophobicContact CG1-CG1 3.42Å; V5-V79 VanDerWaalsContact CG1-CG1 3.42Å; V5-V79 HydrophobicContact CG1-CG2 4.38Å; V5-V79 HydrophobicContact CG2-CG1 4.29Å; I37-V79 HydrophobicContact CG2-CG1 3.51Å; K38-V79 WeakPolarHBondContact O-CA 3.4Å; L39-V79 HydrophobicContact CD2-CB 3.91Å; L39-V79 HydrophobicContact CD2-CG1 3.53Å; L39-V79 HydrophobicContact CD2-CG2 3.43Å; L39-V79 VanDerWaalsContact CD2-CG2 3.43Å; W70-V79 HydrophobicContact CZ3-CB 3.83Å; W70-V79 HydrophobicContact CZ3-CG1 4.02Å; C71-V79 VanDerWaalsContact CA-O 3.26Å; C71-V79 WeakPolarHBondContact CA-O 3.27Å; C71-V79 PolarHBondContact SG-O 2.81Å; C71-V79 VanDerWaalsContact SG-O 3.4Å; G72-V79 PolarHBondContact N-O 3.11Å; G72-V79 PolarHBondContact O-N 3.45Å; E74-V79 HydrophobicContact CB-CG2 4Å; V79-V81 HydrophobicContact CG1-CG2 4.44Å
80M95.6Very high95.2Very high0 Ų032.4 Ų32.40%019%0.189CC..EExtended strand (participates in β ladder)trans-131.9119.4174.9-176.6165.867.800109.8K38 L49 E52 Y56 I68 M82K38-M80 HydrophobicContact CB-CB 4.45Å; K38-M80 HydrophobicContact CD-CE 4.17Å; K38-M80 PolarHBondContact N-O 3.19Å; K38-M80 PolarHBondContact O-N 3.08Å; L49-M80 HydrophobicContact CD1-CB 3.92Å; L49-M80 HydrophobicContact CD1-CE 3.58Å; L49-M80 HydrophobicContact CD1-SD 4.33Å; L49-M80 HydrophobicContact CD2-CB 3.94Å; L49-M80 HydrophobicContact CG-CB 3.93Å; E52-M80 HydrophobicContact CG-CE 4.06Å; Y56-M80 HydrophobicContact CD2-CE 4.06Å; Y56-M80 HydrophobicContact CD2-SD 4.16Å; Y56-M80 HydrophobicContact CE2-CE 3.75Å; Y56-M80 HydrophobicContact CE2-SD 4.44Å; I68-M80 HydrophobicContact CD1-CE 4.44Å; I68-M80 HydrophobicContact CD1-CG 3.81Å; I68-M80 HydrophobicContact CD1-SD 3.64Å; M80-M82 HydrophobicContact CB-CE 4.34Å; M80-M82 HydrophobicContact CE-CE 3.23Å; M80-M82 HydrophobicContact CG-CE 3.76Å; M80-M82 HydrophobicContact SD-CE 4.1Å
81V96.3Very high95.3Very high0 Ų033 Ų330%020%0.198CC..EExtended strand (participates in β ladder)trans-101.9128.4178.5-175.50000108.9V5 Y9 V35 A36 I37 K69 W70 V79V5-V81 HydrophobicContact CG1-CG2 4.37Å; Y9-V81 HydrophobicContact CD1-CG1 3.91Å; Y9-V81 HydrophobicContact CD2-CG1 4.4Å; Y9-V81 HydrophobicContact CD2-CG2 3.89Å; Y9-V81 HydrophobicContact CE1-CG1 3.77Å; Y9-V81 HydrophobicContact CE2-CB 4.4Å; Y9-V81 HydrophobicContact CE2-CG1 4.27Å; Y9-V81 HydrophobicContact CE2-CG2 4.12Å; Y9-V81 HydrophobicContact CG-CG1 4.22Å; Y9-V81 HydrophobicContact CG-CG2 4.19Å; V35-V81 HydrophobicContact CB-CG1 3.78Å; V35-V81 HydrophobicContact CG1-CG1 4.15Å; V35-V81 HydrophobicContact CG2-CG1 3.69Å; A36-V81 WeakPolarHBondContact O-CA 3.35Å; I37-V81 HydrophobicContact CD1-CG2 4.47Å; I37-V81 HydrophobicContact CG1-CG1 4.41Å; I37-V81 HydrophobicContact CG1-CG2 4.18Å; I37-V81 HydrophobicContact CG2-CG2 4.37Å; K69-V81 HydrophobicContact CB-CB 4.48Å; K69-V81 HydrophobicContact CB-CG1 4.17Å; K69-V81 HydrophobicContact CD-CG1 4.42Å; K69-V81 PolarHBondContact N-O 2.85Å; W70-V81 HydrophobicContact CB-CB 4.15Å; W70-V81 HydrophobicContact CB-CG2 4.33Å; W70-V81 HydrophobicContact CE3-CG2 3.95Å; W70-V81 PolarHBondContact N-O 2.82Å; W70-V81 PolarHBondContact O-N 2.62Å; V79-V81 HydrophobicContact CG1-CG2 4.44Å
82M96.3Very high95.5Very high16 Ų1631.5 Ų31.58%0.07919%0.188CC..EExtended strand (participates in β ladder)trans-139.2165.5-174.465.6-169.267.800112.6A36 K38 S67 I68 M80 L84A36-M82 HydrophobicContact CB-CG 3.83Å; A36-M82 PolarHBondContact N-O 3.44Å; A36-M82 PolarHBondContact O-N 2.98Å; K38-M82 HydrophobicContact CB-CE 4.16Å; S67-M82 CarbonylContact O-C 3.57Å; S67-M82 VanDerWaalsContact O-CA 3.27Å; S67-M82 WeakPolarHBondContact O-CA 3.37Å; I68-M82 HydrophobicContact CD1-CB 3.81Å; I68-M82 HydrophobicContact CD1-CE 4.26Å; M80-M82 HydrophobicContact CB-CE 4.34Å; M80-M82 HydrophobicContact CE-CE 3.23Å; M80-M82 HydrophobicContact CG-CE 3.76Å; M80-M82 HydrophobicContact SD-CE 4.1Å; M82-L84 PolarHBondContact O-N 2.97Å
83E96.5Very high95.8Very high33 Ų3330.9 Ų30.915%0.15418%0.181CC..EExtended strand (participates in β ladder)trans-48.6125.8170.5-177.4175-17600110.3P66 S67 L85 K141 Y146P66-E83 HydrophobicContact CB-CB 4.42Å; S67-E83 PolarHBondContact N-OE2 3.32Å; S67-E83 VanDerWaalsContact N-OE2 3.08Å; S67-E83 PolarHBondContact O-N 3.14Å; S67-E83 PolarHBondContact OG-OE2 3.25Å; E83-L85 HydrophobicContact CG-CD2 4.23Å; E83-K141 IonicContact OE1-NZ 3.55Å; E83-K141 PolarHBondContact OE1-NZ 3.48Å; E83-Y146 PolarHBondContact OE1-OH 2.88Å
84L97.4Very high96Very high32 Ų3231.2 Ų31.217%0.16817%0.174CC..  trans-72.4131.8171.7-176.266.9000109I15 L25 E34 A36 M82 L138I15-L84 HydrophobicContact CD1-CD1 4.13Å; L25-L84 HydrophobicContact CD1-CD1 4.22Å; L25-L84 HydrophobicContact CD1-CD2 3.64Å; E34-L84 HydrophobicContact CB-CD2 3.69Å; A36-L84 HydrophobicContact CB-CD1 4.08Å; M82-L84 PolarHBondContact O-N 2.97Å; L84-L138 HydrophobicContact CB-CD1 4.43Å; L84-L138 HydrophobicContact CD2-CD1 4.32Å; L84-L138 HydrophobicContact CG-CD1 4.12Å; L84-L138 WeakPolarHBondContact O-CD1 3.29Å
85L97.5Very high96.2Very high15 Ų1531.1 Ų31.18%0.07917%0.172CC..  trans-110.8174.4176.8-64.6-178.3000111.4P66 E83 L135 Y146 I148P66-L85 HydrophobicContact CB-CD1 4.46Å; P66-L85 HydrophobicContact CG-CD1 3.96Å; E83-L85 HydrophobicContact CG-CD2 4.23Å; L85-L135 HydrophobicContact CB-CB 4.11Å; L85-L135 HydrophobicContact CB-CD2 3.83Å; L85-L135 HydrophobicContact CD1-CB 3.99Å; L85-L135 HydrophobicContact CD1-CD2 4.23Å; L85-Y146 HydrophobicContact CD1-CD1 3.85Å; L85-Y146 HydrophobicContact CD1-CD2 4.43Å; L85-Y146 HydrophobicContact CD1-CG 3.72Å; L85-Y146 HydrophobicContact CD2-CD1 3.85Å; L85-Y146 HydrophobicContact CD2-CD2 3.99Å; L85-Y146 HydrophobicContact CD2-CE1 3.83Å; L85-Y146 HydrophobicContact CD2-CE2 3.99Å; L85-Y146 HydrophobicContact CD2-CG 3.9Å; L85-I148 HydrophobicContact CD1-CG2 3.94Å
86G97.2Very high96.6Very high5 Ų528.1 Ų28.15%0.05214%0.141CC..  trans-78.9-167173.500000112.9L135 M136G86-L135 WeakPolarHBondContact O-CD2 3.49Å; G86-M136 VanDerWaalsContact CA-O 3.22Å; G86-M136 WeakPolarHBondContact CA-O 3.44Å; G86-M136 PolarHBondContact N-O 3.45Å
87P96.6Very high96.9Very high13 Ų1329.6 Ų29.68%0.08416%0.157CC..  trans-63.5154.1-179.727.6-35000112.3D91 L92 L135 M136P87-D91 HydrophobicContact CB-CB 3.91Å; P87-L92 HydrophobicContact CB-CD2 4.31Å; P87-L92 HydrophobicContact CB-CG 4.12Å; P87-L92 HydrophobicContact CG-CD1 4.11Å; P87-L92 HydrophobicContact CG-CD2 3.64Å; P87-L92 HydrophobicContact CG-CG 3.8Å; P87-L135 WeakPolarHBondContact O-CA 3.49Å; P87-M136 PolarHBondContact O-N 3.02Å
88S97.9Very high97Very high10 Ų1028.2 Ų28.27%0.0715%0.151CC..BIsolated β-bridgetrans-70.2164.4171.471.70000111.5E90 D91 L92 F134S88-E90 PolarHBondContact O-N 3Å; S88-E90 PolarHBondContact OG-N 2.87Å; S88-D91 WeakPolarHBondContact CB-OD2 3.33Å; S88-D91 PolarHBondContact N-OD2 2.83Å; S88-D91 PolarHBondContact O-N 2.98Å; S88-D91 PolarHBondContact OG-N 3.26Å; S88-D91 VanDerWaalsContact OG-N 3.12Å; S88-D91 PolarHBondContact OG-OD2 3.48Å; S88-L92 WeakPolarHBondContact O-CG 3.29Å; S88-L92 PolarHBondContact O-N 2.98Å; S88-F134 CarbonylContact C-O 3.53Å; S88-F134 VanDerWaalsContact CA-O 3.28Å; S88-F134 WeakPolarHBondContact CA-O 3.46Å
89L98.7Very high97Very high0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-66.6-27.3173.6-63.6-174000112L92 F93 L108 M112 P131 F134 M136 F206 W290L89-L92 HydrophobicContact CD2-CD1 4.25Å; L89-F93 WeakPolarHBondContact O-CB 3.47Å; L89-F93 PolarHBondContact O-N 2.81Å; L89-L108 HydrophobicContact CD1-CD1 4.23Å; L89-L108 HydrophobicContact CD1-CD2 3.99Å; L89-L108 HydrophobicContact CD2-CD1 4.24Å; L89-L108 HydrophobicContact CD2-CD2 3.71Å; L89-M112 HydrophobicContact CD1-CE 4.07Å; L89-M112 HydrophobicContact CD1-SD 3.92Å; L89-P131 HydrophobicContact CB-CB 4.37Å; L89-P131 PolarHBondContact N-O 3.08Å; L89-F134 HydrophobicContact CD1-CB 3.54Å; L89-F134 HydrophobicContact CD1-CG 4.28Å; L89-F134 HydrophobicContact CG-CB 3.74Å; L89-F134 WeakPolarHBondContact CG-O 3.46Å; L89-F134 PolarHBondContact N-O 3.26Å; L89-M136 HydrophobicContact CD2-CG 4.4Å; L89-M136 HydrophobicContact CD2-SD 4.03Å; L89-F206 HydrophobicContact CB-CE1 4.46Å; L89-F206 HydrophobicContact CB-CZ 3.85Å; L89-F206 HydrophobicContact CD1-CE2 4.26Å; L89-F206 HydrophobicContact CD1-CZ 4.13Å; L89-W290 HydrophobicContact CD2-CH2 4.38Å
90E98.1Very high97.1Very high23 Ų2335.5 Ų35.511%0.10718%0.181CC..Hα-helixtrans-67.5-43.1171.8-173.559.5-152.900111.2S88 L92 F93 N94 R98 P131 Y205S88-E90 PolarHBondContact O-N 3Å; S88-E90 PolarHBondContact OG-N 2.87Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 PolarHBondContact O-N 2.72Å; E90-F93 PolarHBondContact O-N 2.73Å; E90-N94 PolarHBondContact O-N 3.31Å; E90-N94 PolarHBondContact O-ND2 2.75Å; E90-N94 PolarHBondContact OE1-ND2 3.45Å; E90-R98 IonicContact OE1-NH1 2.88Å; E90-R98 PolarHBondContact OE1-NH1 2.8Å; E90-P131 HydrophobicContact CB-CB 3.97Å; E90-Y205 VanDerWaalsContact CD-OH 3.24Å; E90-Y205 PolarHBondContact OE1-OH 2.87Å; E90-Y205 VanDerWaalsContact OE2-CE1 3.26Å; E90-Y205 WeakPolarHBondContact OE2-CE1 3.39Å; E90-Y205 PolarHBondContact OE2-OH 2.99Å
91D97.2Very high97.3Very high83 Ų8337.7 Ų37.744%0.44420%0.197SC..Hα-helixtrans-60.7-45.4176.3-61.5-44.5000111.1P87 S88 F93 N94 F95P87-D91 HydrophobicContact CB-CB 3.91Å; S88-D91 WeakPolarHBondContact CB-OD2 3.33Å; S88-D91 PolarHBondContact N-OD2 2.83Å; S88-D91 PolarHBondContact O-N 2.98Å; S88-D91 PolarHBondContact OG-N 3.26Å; S88-D91 VanDerWaalsContact OG-N 3.12Å; S88-D91 PolarHBondContact OG-OD2 3.48Å; D91-F93 VanDerWaalsContact C-N 3.33Å; D91-N94 PolarHBondContact O-N 2.75Å; D91-F95 WeakPolarHBondContact O-CB 3.43Å; D91-F95 PolarHBondContact O-N 2.74Å
92L98.4Very high97.4Very high1 Ų139.6 Ų39.61%0.00521%0.207CC..Hα-helixtrans-66.9-35.5177.7-70.3171.8000112P87 S88 L89 E90 F95 C96 F100 M136 W290P87-L92 HydrophobicContact CB-CD2 4.31Å; P87-L92 HydrophobicContact CB-CG 4.12Å; P87-L92 HydrophobicContact CG-CD1 4.11Å; P87-L92 HydrophobicContact CG-CD2 3.64Å; P87-L92 HydrophobicContact CG-CG 3.8Å; S88-L92 WeakPolarHBondContact O-CG 3.29Å; S88-L92 PolarHBondContact O-N 2.98Å; L89-L92 HydrophobicContact CD2-CD1 4.25Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 PolarHBondContact O-N 2.72Å; L92-F95 PolarHBondContact O-N 2.84Å; L92-C96 WeakPolarHBondContact O-CB 3.49Å; L92-C96 PolarHBondContact O-N 2.81Å; L92-C96 PolarHBondContact O-SG 3.14Å; L92-C96 VanDerWaalsContact O-SG 3.41Å; L92-F100 HydrophobicContact CB-CZ 4.24Å; L92-M136 HydrophobicContact CD1-CB 4.44Å; L92-M136 HydrophobicContact CD1-CG 3.43Å; L92-M136 VanDerWaalsContact CD1-CG 3.43Å; L92-W290 HydrophobicContact CB-CD2 4.31Å; L92-W290 HydrophobicContact CB-CE3 3.89Å; L92-W290 HydrophobicContact CB-CZ3 4.22Å; L92-W290 HydrophobicContact CD1-CD2 3.89Å; L92-W290 HydrophobicContact CD1-CE3 4.04Å; L92-W290 HydrophobicContact CD1-CH2 4.03Å; L92-W290 HydrophobicContact CD1-CZ2 3.87Å; L92-W290 HydrophobicContact CD1-CZ3 4.11Å; L92-W290 HydrophobicContact CD2-CB 3.98Å; L92-W290 HydrophobicContact CD2-CD2 3.89Å; L92-W290 HydrophobicContact CD2-CE3 4.32Å; L92-W290 HydrophobicContact CD2-CG 3.74Å; L92-W290 HydrophobicContact CG-CD2 4.26Å; L92-W290 HydrophobicContact CG-CE3 4.31Å
93F98.4Very high97.5Very high0 Ų040.5 Ų40.50%021%0.21CC..Hα-helixtrans-64.8-45.2175.5-170.9-126000111.3L89 E90 D91 F95 C96 S97 R98 F100 Y205 F206L89-F93 WeakPolarHBondContact O-CB 3.47Å; L89-F93 PolarHBondContact O-N 2.81Å; E90-F93 PolarHBondContact O-N 2.73Å; D91-F93 VanDerWaalsContact C-N 3.33Å; F93-F95 VanDerWaalsContact C-N 3.34Å; F93-F95 PolarHBondContact O-N 2.92Å; F93-C96 CarbonylContact O-C 3.57Å; F93-C96 PolarHBondContact O-N 3.12Å; F93-S97 PolarHBondContact O-N 3.31Å; F93-R98 HydrophobicContact CD1-CB 4.14Å; F93-R98 HydrophobicContact CD1-CG 4.32Å; F93-R98 HydrophobicContact CE1-CB 3.82Å; F93-R98 HydrophobicContact CE1-CG 4.38Å; F93-R98 WeakPolarHBondContact CE2-O 3.18Å; F93-R98 HydrophobicContact CZ-CB 4.16Å; F93-R98 WeakPolarHBondContact CZ-O 3.3Å; F93-R98 VanDerWaalsContact O-CA 3.24Å; F93-R98 WeakPolarHBondContact O-CA 3.47Å; F93-R98 PolarHBondContact O-N 3.35Å; F93-F100 HydrophobicContact CB-CE1 4.32Å; F93-F100 HydrophobicContact CB-CE2 3.99Å; F93-F100 HydrophobicContact CB-CZ 3.7Å; F93-F100 AromaticContact CD2-CD1 3.99Å; F93-F100 HydrophobicContact CD2-CD1 3.99Å; F93-F100 AromaticContact CD2-CD2 3.67Å; F93-F100 HydrophobicContact CD2-CD2 3.67Å; F93-F100 AromaticContact CD2-CE1 3.99Å; F93-F100 HydrophobicContact CD2-CE1 3.99Å; F93-F100 AromaticContact CD2-CE2 3.65Å; F93-F100 HydrophobicContact CD2-CE2 3.65Å; F93-F100 AromaticContact CD2-CG 3.83Å; F93-F100 HydrophobicContact CD2-CG 3.83Å; F93-F100 AromaticContact CD2-CZ 3.82Å; F93-F100 HydrophobicContact CD2-CZ 3.82Å; F93-F100 HydrophobicContact CE2-CD2 4.16Å; F93-F100 HydrophobicContact CE2-CG 4.19Å; F93-F100 HydrophobicContact CG-CE2 4.25Å; F93-F100 HydrophobicContact CG-CZ 4.28Å; F93-Y205 AromaticContact CD1-CE1 3.8Å; F93-Y205 HydrophobicContact CD1-CE1 3.8Å; F93-Y205 HydrophobicContact CE1-CD1 4.34Å; F93-Y205 AromaticContact CE1-CE1 3.74Å; F93-Y205 HydrophobicContact CE1-CE1 3.74Å; F93-Y205 HydrophobicContact CE1-CE2 4.43Å; F93-Y205 AromaticContact CE1-CZ 3.82Å; F93-F206 HydrophobicContact CB-CD1 4.46Å; F93-F206 HydrophobicContact CB-CE1 4.32Å; F93-F206 HydrophobicContact CD1-CD1 4.4Å; F93-F206 AromaticContact CD2-CD1 3.84Å; F93-F206 HydrophobicContact CD2-CD1 3.84Å; F93-F206 HydrophobicContact CE2-CB 4.35Å; F93-F206 HydrophobicContact CE2-CD1 4.02Å; F93-F206 WeakPolarHBondContact CE2-O 3.29Å; F93-F206 HydrophobicContact CG-CD1 4.02Å; F93-F206 HydrophobicContact CG-CE1 4.32Å; F93-F206 HydrophobicContact CZ-CD1 4.35Å
94N97.6Very high97.6Very high72 Ų7238.9 Ų38.939%0.38520%0.203SC..Hα-helixtrans-63.2-40.2173.9-70.3-47.3000111.9E90 D91 C96 S97 R98E90-N94 PolarHBondContact O-N 3.31Å; E90-N94 PolarHBondContact O-ND2 2.75Å; E90-N94 PolarHBondContact OE1-ND2 3.45Å; D91-N94 PolarHBondContact O-N 2.75Å; N94-C96 VanDerWaalsContact C-N 3.26Å; N94-C96 PolarHBondContact O-N 3.05Å; N94-S97 PolarHBondContact O-N 3.04Å; N94-R98 WeakPolarHBondContact OD1-CG 3.25Å; N94-R98 PolarHBondContact OD1-NH1 2.64Å
95F96.5Very high97.7Very high74 Ų7437.4 Ų37.433%0.32520%0.195SC..Hα-helixtrans-61.9-33.3174.4179.3-108.6000112.9D91 L92 F93 S97 W290 L293 K294 L385D91-F95 WeakPolarHBondContact O-CB 3.43Å; D91-F95 PolarHBondContact O-N 2.74Å; L92-F95 PolarHBondContact O-N 2.84Å; F93-F95 VanDerWaalsContact C-N 3.34Å; F93-F95 PolarHBondContact O-N 2.92Å; F95-S97 PolarHBondContact O-N 3.47Å; F95-W290 HydrophobicContact CD1-CB 3.9Å; F95-W290 HydrophobicContact CE1-CB 4.05Å; F95-L293 HydrophobicContact CD1-CD1 4.2Å; F95-L293 HydrophobicContact CE1-CB 3.77Å; F95-L293 HydrophobicContact CE1-CD1 3.97Å; F95-L293 HydrophobicContact CZ-CB 4.06Å; F95-K294 HydrophobicContact CE1-CG 4.48Å; F95-L385 HydrophobicContact CD2-CD2 3.44Å; F95-L385 VanDerWaalsContact CD2-CD2 3.44Å; F95-L385 HydrophobicContact CE2-CD2 3.8Å; F95-L385 HydrophobicContact CG-CD2 4.04Å
96C97.3Very high97.8Very high9 Ų936.9 Ų36.96%0.06119%0.193CC..THydrogen-bonded Turntrans-87.526.7173.4-66.90000112.9L92 F93 N94 R98 K99 F100 L293L92-C96 WeakPolarHBondContact O-CB 3.49Å; L92-C96 PolarHBondContact O-N 2.81Å; L92-C96 PolarHBondContact O-SG 3.14Å; L92-C96 VanDerWaalsContact O-SG 3.41Å; F93-C96 CarbonylContact O-C 3.57Å; F93-C96 PolarHBondContact O-N 3.12Å; N94-C96 VanDerWaalsContact C-N 3.26Å; N94-C96 PolarHBondContact O-N 3.05Å; C96-R98 PolarHBondContact O-N 2.9Å; C96-R98 VanDerWaalsContact O-N 3.16Å; C96-K99 PolarHBondContact O-N 3.21Å; C96-F100 HydrophobicContact CB-CD1 3.88Å; C96-F100 HydrophobicContact CB-CE1 3.72Å; C96-L293 HydrophobicContact CB-CD1 4.4Å
97S96.8Very high97.8Very high108 Ų10836.7 Ų36.776%0.75519%0.19SC*.THydrogen-bonded Turntrans54.935.5178.5-56.80000113.7F93 N94 F95 K99F93-S97 PolarHBondContact O-N 3.31Å; N94-S97 PolarHBondContact O-N 3.04Å; F95-S97 PolarHBondContact O-N 3.47Å; S97-K99 PolarHBondContact O-N 3.02Å
98R97.3Very high97.9Very high83 Ų8336.1 Ų36.131%0.31319%0.186SC..THydrogen-bonded Turntrans57.434.8178.6-55.6-176.158.6728.8113.7E90 F93 N94 C96 Y205 G209E90-R98 IonicContact OE1-NH1 2.88Å; E90-R98 PolarHBondContact OE1-NH1 2.8Å; F93-R98 HydrophobicContact CD1-CB 4.14Å; F93-R98 HydrophobicContact CD1-CG 4.32Å; F93-R98 HydrophobicContact CE1-CB 3.82Å; F93-R98 HydrophobicContact CE1-CG 4.38Å; F93-R98 WeakPolarHBondContact CE2-O 3.18Å; F93-R98 HydrophobicContact CZ-CB 4.16Å; F93-R98 WeakPolarHBondContact CZ-O 3.3Å; F93-R98 VanDerWaalsContact O-CA 3.24Å; F93-R98 WeakPolarHBondContact O-CA 3.47Å; F93-R98 PolarHBondContact O-N 3.35Å; N94-R98 WeakPolarHBondContact OD1-CG 3.25Å; N94-R98 PolarHBondContact OD1-NH1 2.64Å; C96-R98 PolarHBondContact O-N 2.9Å; C96-R98 VanDerWaalsContact O-N 3.16Å; R98-Y205 PolarHBondContact NH1-OH 2.79Å; R98-Y205 VanDerWaalsContact NH2-CZ 3.34Å; R98-Y205 PolarHBondContact NH2-OH 3.41Å; R98-G209 PolarHBondContact NH2-O 3.22Å
99K93.4Very high98Very high158 Ų15835.6 Ų35.669%0.68718%0.183SC*.  trans-143.8118.7175.1-171.7174-178.5177.40109.7C96 S97C96-K99 PolarHBondContact O-N 3.21Å; S97-K99 PolarHBondContact O-N 3.02Å
100F98.6Very high98Very high10 Ų1036.1 Ų36.14%0.04419%0.186CC..  trans-99148.4168-71.1-30.5000111L92 F93 C96 T104 V105 L108 F206 D289 W290L92-F100 HydrophobicContact CB-CZ 4.24Å; F93-F100 HydrophobicContact CB-CE1 4.32Å; F93-F100 HydrophobicContact CB-CE2 3.99Å; F93-F100 HydrophobicContact CB-CZ 3.7Å; F93-F100 AromaticContact CD2-CD1 3.99Å; F93-F100 HydrophobicContact CD2-CD1 3.99Å; F93-F100 AromaticContact CD2-CD2 3.67Å; F93-F100 HydrophobicContact CD2-CD2 3.67Å; F93-F100 AromaticContact CD2-CE1 3.99Å; F93-F100 HydrophobicContact CD2-CE1 3.99Å; F93-F100 AromaticContact CD2-CE2 3.65Å; F93-F100 HydrophobicContact CD2-CE2 3.65Å; F93-F100 AromaticContact CD2-CG 3.83Å; F93-F100 HydrophobicContact CD2-CG 3.83Å; F93-F100 AromaticContact CD2-CZ 3.82Å; F93-F100 HydrophobicContact CD2-CZ 3.82Å; F93-F100 HydrophobicContact CE2-CD2 4.16Å; F93-F100 HydrophobicContact CE2-CG 4.19Å; F93-F100 HydrophobicContact CG-CE2 4.25Å; F93-F100 HydrophobicContact CG-CZ 4.28Å; C96-F100 HydrophobicContact CB-CD1 3.88Å; C96-F100 HydrophobicContact CB-CE1 3.72Å; F100-T104 HydrophobicContact CB-CG2 3.94Å; F100-T104 HydrophobicContact CD1-CG2 3.95Å; F100-T104 HydrophobicContact CD2-CG2 4.01Å; F100-T104 HydrophobicContact CE1-CG2 4.44Å; F100-T104 HydrophobicContact CG-CG2 3.72Å; F100-V105 HydrophobicContact CB-CG2 3.79Å; F100-L108 HydrophobicContact CD2-CD1 4.27Å; F100-L108 HydrophobicContact CE2-CD1 4.07Å; F100-F206 HydrophobicContact CD2-CB 3.89Å; F100-F206 AromaticContact CD2-CD1 3.79Å; F100-F206 HydrophobicContact CD2-CD1 3.79Å; F100-F206 HydrophobicContact CD2-CD2 4.37Å; F100-F206 HydrophobicContact CD2-CE1 4.42Å; F100-F206 AromaticContact CD2-CG 3.78Å; F100-F206 HydrophobicContact CD2-CG 3.78Å; F100-F206 AromaticContact CE2-CD1 3.71Å; F100-F206 HydrophobicContact CE2-CD1 3.71Å; F100-F206 AromaticContact CE2-CE1 3.89Å; F100-F206 HydrophobicContact CE2-CE1 3.89Å; F100-F206 HydrophobicContact CE2-CG 4.07Å; F100-F206 HydrophobicContact CE2-CZ 4.38Å; F100-D289 WeakPolarHBondContact CA-OD2 3.24Å; F100-W290 AromaticContact CE1-CE3 3.94Å; F100-W290 HydrophobicContact CE1-CE3 3.94Å; F100-W290 AromaticContact CE1-CZ3 3.91Å; F100-W290 HydrophobicContact CE1-CZ3 3.91Å; F100-W290 HydrophobicContact CE2-CZ3 4.48Å; F100-W290 HydrophobicContact CZ-CE3 4.2Å; F100-W290 AromaticContact CZ-CZ3 3.81Å; F100-W290 HydrophobicContact CZ-CZ3 3.81Å
101S98.6Very high98Very high47 Ų4735.7 Ų35.733%0.32918%0.184SC..  trans-68.6154.1166.571.60000110.2K103 T104 V105 D289S101-K103 PolarHBondContact O-N 2.75Å; S101-T104 PolarHBondContact O-N 3.13Å; S101-T104 VanDerWaalsContact O-N 3.12Å; S101-T104 PolarHBondContact OG-N 3.02Å; S101-T104 PolarHBondContact OG-OG1 3.38Å; S101-V105 WeakPolarHBondContact O-CG2 3.43Å; S101-V105 PolarHBondContact O-N 3.19Å; S101-D289 VanDerWaalsContact CB-OD1 3.29Å; S101-D289 WeakPolarHBondContact CB-OD1 3.06Å; S101-D289 PolarHBondContact N-OD2 3.36Å; S101-D289 PolarHBondContact OG-OD1 2.89Å; S101-D289 PolarHBondContact OG-OD2 3.34Å
102L98.8Very high98.1Very high39 Ų3931.8 Ų31.820%0.20416%0.163CC..Hα-helixtrans-55.7-40.6174.7-179.762000111.2T104 V105 L106 P245 F248 Q280 F282L102-T104 PolarHBondContact O-N 3.26Å; L102-V105 PolarHBondContact O-N 3.34Å; L102-L106 HydrophobicContact CD1-CD1 4.06Å; L102-L106 HydrophobicContact CD1-CD2 4.27Å; L102-L106 HydrophobicContact CD1-CG 3.97Å; L102-L106 HydrophobicContact CD2-CD1 4.47Å; L102-L106 HydrophobicContact CG-CD1 3.87Å; L102-L106 HydrophobicContact CG-CG 4.21Å; L102-L106 VanDerWaalsContact O-CG 3.24Å; L102-L106 WeakPolarHBondContact O-CG 3.16Å; L102-L106 PolarHBondContact O-N 2.72Å; L102-P245 HydrophobicContact CD1-CG 4.21Å; L102-P245 HydrophobicContact CD2-CG 3.91Å; L102-F248 HydrophobicContact CD1-CE2 3.74Å; L102-F248 HydrophobicContact CD1-CZ 3.85Å; L102-Q280 HydrophobicContact CD2-CG 4.18Å; L102-F282 HydrophobicContact CB-CE2 4.36Å; L102-F282 HydrophobicContact CB-CZ 4.43Å; L102-F282 HydrophobicContact CD2-CE2 4.26Å; L102-F282 HydrophobicContact CG-CE2 4.16Å
103K98.8Very high98.1Very high35 Ų3531.7 Ų31.715%0.15216%0.162CC..Hα-helixtrans-54.1-50.1175.9-177.2-175.9173.9-175.70111.4S101 L106 L107 F277 F282 S283 D285S101-K103 PolarHBondContact O-N 2.75Å; K103-L106 PolarHBondContact O-N 3.49Å; K103-L107 HydrophobicContact CG-CD1 4.28Å; K103-L107 WeakPolarHBondContact O-CG 3.5Å; K103-L107 PolarHBondContact O-N 3.14Å; K103-F277 HydrophobicContact CG-CE2 3.74Å; K103-F277 HydrophobicContact CG-CZ 4.15Å; K103-F282 HydrophobicContact CB-CD1 4.15Å; K103-F282 HydrophobicContact CB-CD2 3.88Å; K103-F282 HydrophobicContact CB-CE1 4.21Å; K103-F282 HydrophobicContact CB-CE2 3.94Å; K103-F282 HydrophobicContact CB-CG 4Å; K103-F282 HydrophobicContact CB-CZ 4.11Å; K103-F282 HydrophobicContact CD-CB 4.35Å; K103-F282 HydrophobicContact CD-CD1 4.39Å; K103-F282 HydrophobicContact CD-CG 4.36Å; K103-F282 HydrophobicContact CG-CB 4.14Å; K103-F282 HydrophobicContact CG-CD1 4.35Å; K103-F282 HydrophobicContact CG-CD2 4.16Å; K103-F282 HydrophobicContact CG-CG 3.97Å; K103-S283 WeakPolarHBondContact CE-O 3.47Å; K103-S283 PolarHBondContact NZ-O 2.98Å; K103-D285 WeakPolarHBondContact CE-OD1 3.44Å; K103-D285 IonicContact NZ-OD1 2.61Å; K103-D285 PolarHBondContact NZ-OD1 3.27Å; K103-D285 IonicContact NZ-OD2 3.88Å; K103-D285 PolarHBondContact NZ-OD2 2.77Å
104T98.8Very high98.2Very high0 Ų033.2 Ų33.20%017%0.173CC..Hα-helixtrans-61.9-45.9178.5-73.50000111.6F100 S101 L102 L106 L107 L108 F288 D289 W290F100-T104 HydrophobicContact CB-CG2 3.94Å; F100-T104 HydrophobicContact CD1-CG2 3.95Å; F100-T104 HydrophobicContact CD2-CG2 4.01Å; F100-T104 HydrophobicContact CE1-CG2 4.44Å; F100-T104 HydrophobicContact CG-CG2 3.72Å; S101-T104 PolarHBondContact O-N 3.13Å; S101-T104 VanDerWaalsContact O-N 3.12Å; S101-T104 PolarHBondContact OG-N 3.02Å; S101-T104 PolarHBondContact OG-OG1 3.38Å; L102-T104 PolarHBondContact O-N 3.26Å; T104-L106 VanDerWaalsContact C-N 3.32Å; T104-L106 PolarHBondContact O-N 2.8Å; T104-L107 PolarHBondContact O-N 3.48Å; T104-L108 HydrophobicContact CG2-CD1 3.94Å; T104-L108 WeakPolarHBondContact O-CB 3.33Å; T104-L108 VanDerWaalsContact O-CG 3.3Å; T104-L108 WeakPolarHBondContact O-CG 3.08Å; T104-L108 PolarHBondContact O-N 3.25Å; T104-F288 HydrophobicContact CG2-CB 4.48Å; T104-F288 HydrophobicContact CG2-CD1 4.17Å; T104-D289 WeakPolarHBondContact CB-OD2 3.43Å; T104-D289 PolarHBondContact OG1-N 3.27Å; T104-D289 PolarHBondContact OG1-OD1 3.4Å; T104-D289 PolarHBondContact OG1-OD2 2.88Å; T104-W290 HydrophobicContact CG2-CH2 4.36Å; T104-W290 HydrophobicContact CG2-CZ3 3.84Å
105V98.9Very high98.2Very high0 Ų030.4 Ų30.40%016%0.157CC..Hα-helixtrans-60.3-41.6179176.70000111.5F100 S101 L102 L108 A109 L203 F206 F248F100-V105 HydrophobicContact CB-CG2 3.79Å; S101-V105 WeakPolarHBondContact O-CG2 3.43Å; S101-V105 PolarHBondContact O-N 3.19Å; L102-V105 PolarHBondContact O-N 3.34Å; V105-L108 PolarHBondContact O-N 2.94Å; V105-A109 WeakPolarHBondContact O-CB 3.36Å; V105-A109 PolarHBondContact O-N 3.28Å; V105-L203 HydrophobicContact CG1-CB 4.41Å; V105-L203 HydrophobicContact CG1-CD2 4.12Å; V105-F206 HydrophobicContact CG2-CB 3.89Å; V105-F248 HydrophobicContact CG1-CE1 3.91Å; V105-F248 HydrophobicContact CG1-CZ 3.95Å
106L98.9Very high98.3Very high5 Ų526.9 Ų26.93%0.02614%0.142CC..Hα-helixtrans-71-39.7179.8-64.3177000112.9L102 K103 T104 L108 A109 D110 F248 F273 L276 F277 F282L102-L106 HydrophobicContact CD1-CD1 4.06Å; L102-L106 HydrophobicContact CD1-CD2 4.27Å; L102-L106 HydrophobicContact CD1-CG 3.97Å; L102-L106 HydrophobicContact CD2-CD1 4.47Å; L102-L106 HydrophobicContact CG-CD1 3.87Å; L102-L106 HydrophobicContact CG-CG 4.21Å; L102-L106 VanDerWaalsContact O-CG 3.24Å; L102-L106 WeakPolarHBondContact O-CG 3.16Å; L102-L106 PolarHBondContact O-N 2.72Å; K103-L106 PolarHBondContact O-N 3.49Å; T104-L106 VanDerWaalsContact C-N 3.32Å; T104-L106 PolarHBondContact O-N 2.8Å; L106-L108 VanDerWaalsContact C-N 3.29Å; L106-L108 PolarHBondContact O-N 3.37Å; L106-A109 PolarHBondContact O-N 3.46Å; L106-D110 PolarHBondContact O-N 3.07Å; L106-F248 HydrophobicContact CD2-CZ 4.15Å; L106-F273 HydrophobicContact CD2-CB 3.85Å; L106-F273 HydrophobicContact CD2-CD1 3.45Å; L106-F273 VanDerWaalsContact CD2-CD1 3.45Å; L106-F273 HydrophobicContact CD2-CE1 4.32Å; L106-F273 HydrophobicContact CD2-CG 3.94Å; L106-L276 HydrophobicContact CD1-CD2 3.99Å; L106-L276 HydrophobicContact CD1-CG 3.99Å; L106-L276 HydrophobicContact CD2-CD2 3.9Å; L106-F277 HydrophobicContact CB-CD2 3.78Å; L106-F277 HydrophobicContact CD1-CB 4.1Å; L106-F277 HydrophobicContact CD1-CD2 4.06Å; L106-F282 HydrophobicContact CD1-CD2 4.46Å; L106-F282 HydrophobicContact CD1-CE2 4.32Å
107L98.8Very high98.4Very high1 Ų129.3 Ų29.31%0.00515%0.152CC..Hα-helixtrans-60.8-40.4173-73.8173000111.6K103 T104 F277 Y284 F288K103-L107 HydrophobicContact CG-CD1 4.28Å; K103-L107 WeakPolarHBondContact O-CG 3.5Å; K103-L107 PolarHBondContact O-N 3.14Å; T104-L107 PolarHBondContact O-N 3.48Å; L107-F277 HydrophobicContact CD2-CE2 3.89Å; L107-F277 HydrophobicContact CD2-CZ 3.89Å; L107-F277 HydrophobicContact CG-CE2 3.81Å; L107-F277 HydrophobicContact CG-CZ 4.22Å; L107-Y284 HydrophobicContact CD2-CD2 3.65Å; L107-Y284 HydrophobicContact CD2-CE2 3.58Å; L107-Y284 HydrophobicContact CD2-CG 4.26Å; L107-F288 HydrophobicContact CB-CD1 4.18Å; L107-F288 HydrophobicContact CB-CE1 3.57Å; L107-F288 HydrophobicContact CB-CZ 4.31Å; L107-F288 HydrophobicContact CD1-CD1 4.15Å; L107-F288 HydrophobicContact CD1-CE1 4.1Å; L107-F288 HydrophobicContact CG-CE1 4.48Å
108L98.9Very high98.5Very high0 Ų026.5 Ų26.50%013%0.125CC..Hα-helixtrans-67.4-47.2176.2-72.3173.9000111.5L89 F100 T104 V105 L106 D110 Q111 M112 V145 F288 W290L89-L108 HydrophobicContact CD1-CD1 4.23Å; L89-L108 HydrophobicContact CD1-CD2 3.99Å; L89-L108 HydrophobicContact CD2-CD1 4.24Å; L89-L108 HydrophobicContact CD2-CD2 3.71Å; F100-L108 HydrophobicContact CD2-CD1 4.27Å; F100-L108 HydrophobicContact CE2-CD1 4.07Å; T104-L108 HydrophobicContact CG2-CD1 3.94Å; T104-L108 WeakPolarHBondContact O-CB 3.33Å; T104-L108 VanDerWaalsContact O-CG 3.3Å; T104-L108 WeakPolarHBondContact O-CG 3.08Å; T104-L108 PolarHBondContact O-N 3.25Å; V105-L108 PolarHBondContact O-N 2.94Å; L106-L108 VanDerWaalsContact C-N 3.29Å; L106-L108 PolarHBondContact O-N 3.37Å; L108-D110 VanDerWaalsContact C-N 3.29Å; L108-D110 PolarHBondContact O-N 3.05Å; L108-Q111 PolarHBondContact O-N 2.72Å; L108-Q111 VanDerWaalsContact O-N 3.16Å; L108-M112 HydrophobicContact CB-SD 4.05Å; L108-M112 WeakPolarHBondContact O-CB 3.29Å; L108-M112 WeakPolarHBondContact O-CG 3.24Å; L108-M112 PolarHBondContact O-N 3.28Å; L108-V145 HydrophobicContact CD2-CG2 3.62Å; L108-F288 HydrophobicContact CD2-CE1 3.98Å; L108-F288 HydrophobicContact CG-CD1 4.44Å; L108-F288 HydrophobicContact CG-CE1 4.12Å; L108-W290 HydrophobicContact CD1-CH2 4.34Å; L108-W290 HydrophobicContact CD2-CH2 4.18Å
109A98.9Very high98.6Very high0 Ų022.6 Ų22.60%011%0.11CC..Hα-helixtrans-53.7-45.5-179.400000112.2V105 L106 Q111 M112 I113 L203 F273V105-A109 WeakPolarHBondContact O-CB 3.36Å; V105-A109 PolarHBondContact O-N 3.28Å; L106-A109 PolarHBondContact O-N 3.46Å; A109-Q111 PolarHBondContact O-N 3.23Å; A109-M112 PolarHBondContact O-N 3.16Å; A109-I113 WeakPolarHBondContact O-CD1 3.25Å; A109-I113 VanDerWaalsContact O-CG1 3.23Å; A109-I113 WeakPolarHBondContact O-CG1 3.45Å; A109-I113 PolarHBondContact O-N 2.72Å; A109-L203 HydrophobicContact CB-CD1 3.77Å; A109-L203 HydrophobicContact CB-CD2 3.82Å; A109-L203 HydrophobicContact CB-CG 4.47Å; A109-F273 HydrophobicContact CB-CD2 3.84Å; A109-F273 HydrophobicContact CB-CE2 4.15Å; A109-F273 HydrophobicContact CB-CG 4.3Å
110D98.8Very high98.8Very high11 Ų1115.2 Ų15.26%0.0598%0.078CC..Hα-helixtrans-57.2-46.3179.3-173.761.6000112.8L106 L108 S114 R270 R274 Y284L106-D110 PolarHBondContact O-N 3.07Å; L108-D110 VanDerWaalsContact C-N 3.29Å; L108-D110 PolarHBondContact O-N 3.05Å; D110-S114 PolarHBondContact O-N 2.95Å; D110-S114 PolarHBondContact O-OG 3.29Å; D110-R270 WeakPolarHBondContact OD1-CD 3.43Å; D110-R274 IonicContact OD1-CZ 3.96Å; D110-R274 IonicContact OD1-NE 3.93Å; D110-R274 PolarHBondContact OD1-NE 2.64Å; D110-R274 IonicContact OD1-NH2 2.96Å; D110-R274 PolarHBondContact OD1-NH2 3.46Å; D110-R274 IonicContact OD2-NE 3.4Å; D110-R274 IonicContact OD2-NH2 2.87Å; D110-R274 PolarHBondContact OD2-NH2 2.95Å; D110-Y284 PolarHBondContact OD2-OH 3.38Å; D110-Y284 VanDerWaalsContact OD2-OH 3.05Å
111Q98.8Very high98.8Very high14 Ų1417.6 Ų17.67%0.06510%0.096CC..Hα-helixtrans-73.6-42.4178.9-64.3-166.153.300112.1L108 A109 S114 R115 N143 V145L108-Q111 PolarHBondContact O-N 2.72Å; L108-Q111 VanDerWaalsContact O-N 3.16Å; A109-Q111 PolarHBondContact O-N 3.23Å; Q111-S114 CarbonylContact O-C 3.45Å; Q111-S114 WeakPolarHBondContact O-CA 3.02Å; Q111-S114 WeakPolarHBondContact O-CB 3.33Å; Q111-S114 PolarHBondContact O-N 2.76Å; Q111-S114 VanDerWaalsContact O-N 3.11Å; Q111-R115 WeakPolarHBondContact O-CG 3.43Å; Q111-R115 PolarHBondContact O-N 3.44Å; Q111-N143 PolarHBondContact NE2-O 2.72Å; Q111-V145 HydrophobicContact CB-CB 4Å; Q111-V145 HydrophobicContact CB-CG2 3.96Å; Q111-V145 HydrophobicContact CG-CG2 4.46Å
112M98.9Very high98.8Very high0 Ų019 Ų190%010%0.097CC..Hα-helixtrans-63.9-42.3-177.9-67.817083.700111.9L89 L108 A109 S114 R115 I116 F134 V145 L199 V202 L203L89-M112 HydrophobicContact CD1-CE 4.07Å; L89-M112 HydrophobicContact CD1-SD 3.92Å; L108-M112 HydrophobicContact CB-SD 4.05Å; L108-M112 WeakPolarHBondContact O-CB 3.29Å; L108-M112 WeakPolarHBondContact O-CG 3.24Å; L108-M112 PolarHBondContact O-N 3.28Å; A109-M112 PolarHBondContact O-N 3.16Å; M112-S114 VanDerWaalsContact C-N 3.26Å; M112-S114 PolarHBondContact O-N 2.96Å; M112-R115 PolarHBondContact O-N 3.46Å; M112-I116 WeakPolarHBondContact O-CG1 3.49Å; M112-I116 PolarHBondContact O-N 2.73Å; M112-I116 VanDerWaalsContact O-N 3.08Å; M112-F134 HydrophobicContact CB-CE1 4.1Å; M112-F134 HydrophobicContact CB-CZ 4.39Å; M112-F134 HydrophobicContact CE-CD1 4.18Å; M112-F134 HydrophobicContact CE-CD2 3.43Å; M112-F134 VanDerWaalsContact CE-CD2 3.43Å; M112-F134 HydrophobicContact CE-CE1 4.18Å; M112-F134 HydrophobicContact CE-CE2 3.45Å; M112-F134 VanDerWaalsContact CE-CE2 3.45Å; M112-F134 HydrophobicContact CE-CG 3.81Å; M112-F134 HydrophobicContact CE-CZ 3.84Å; M112-F134 HydrophobicContact CG-CD1 3.94Å; M112-F134 HydrophobicContact CG-CE1 3.91Å; M112-F134 HydrophobicContact CG-CG 4.39Å; M112-F134 HydrophobicContact CG-CZ 4.37Å; M112-V145 HydrophobicContact CG-CG1 4.29Å; M112-L199 HydrophobicContact CB-CD1 3.78Å; M112-L199 HydrophobicContact CB-CD2 3.97Å; M112-L199 HydrophobicContact CE-CD1 3.32Å; M112-L199 HydrophobicContact CG-CD1 4.4Å; M112-L199 HydrophobicContact SD-CD1 3.87Å; M112-V202 HydrophobicContact CE-CG1 3.87Å; M112-L203 HydrophobicContact SD-CD2 4.43Å
113I98.9Very high98.8Very high0 Ų018.1 Ų18.10%09%0.092CC..Hα-helixtrans-58.8-43.4172.9-65.2164.5000109.9A109 R115 I116 E117 L199 Y251 Y266 L269 R270 F273A109-I113 WeakPolarHBondContact O-CD1 3.25Å; A109-I113 VanDerWaalsContact O-CG1 3.23Å; A109-I113 WeakPolarHBondContact O-CG1 3.45Å; A109-I113 PolarHBondContact O-N 2.72Å; I113-R115 VanDerWaalsContact C-N 3.34Å; I113-R115 PolarHBondContact O-N 2.86Å; I113-I116 PolarHBondContact O-N 3.25Å; I113-E117 WeakPolarHBondContact O-CB 3.33Å; I113-E117 PolarHBondContact O-N 3.12Å; I113-L199 HydrophobicContact CB-CD2 4.47Å; I113-L199 HydrophobicContact CG1-CD2 3.62Å; I113-Y251 HydrophobicContact CD1-CE2 3.93Å; I113-Y251 HydrophobicContact CG1-CE2 4.26Å; I113-Y266 HydrophobicContact CG2-CD1 4.37Å; I113-L269 HydrophobicContact CD1-CB 4.18Å; I113-R270 HydrophobicContact CB-CG 4Å; I113-R270 HydrophobicContact CD1-CG 4.05Å; I113-R270 HydrophobicContact CG2-CG 3.83Å; I113-F273 HydrophobicContact CD1-CD2 4.05Å; I113-F273 HydrophobicContact CD1-CE2 4.21Å
114S98.9Very high98.7Very high31 Ų3117 Ų1722%0.2179%0.087CC..Hα-helixtrans-65-34.3179.1-55.20000113D110 Q111 M112 Y118 R270D110-S114 PolarHBondContact O-N 2.95Å; D110-S114 PolarHBondContact O-OG 3.29Å; Q111-S114 CarbonylContact O-C 3.45Å; Q111-S114 WeakPolarHBondContact O-CA 3.02Å; Q111-S114 WeakPolarHBondContact O-CB 3.33Å; Q111-S114 PolarHBondContact O-N 2.76Å; Q111-S114 VanDerWaalsContact O-N 3.11Å; M112-S114 VanDerWaalsContact C-N 3.26Å; M112-S114 PolarHBondContact O-N 2.96Å; S114-Y118 WeakPolarHBondContact O-CB 3.45Å; S114-Y118 PolarHBondContact O-N 3.19Å; S114-R270 WeakPolarHBondContact OG-CD 3.27Å; S114-R270 PolarHBondContact OG-NH1 2.76Å
115R98.9Very high98.7Very high13 Ų1317 Ų175%0.0499%0.087CC..Hα-helixtrans-65.7-46.3173.2-64.4-58.3166.9-88.3-9.1111.9V63 Q111 M112 I113 Y118 I119 F134 V145 I147V63-R115 VanDerWaalsContact O-CD 3.25Å; V63-R115 WeakPolarHBondContact O-CD 3.42Å; V63-R115 PolarHBondContact O-NE 2.96Å; V63-R115 VanDerWaalsContact O-NE 3.14Å; V63-R115 PolarHBondContact O-NH1 3.06Å; Q111-R115 WeakPolarHBondContact O-CG 3.43Å; Q111-R115 PolarHBondContact O-N 3.44Å; M112-R115 PolarHBondContact O-N 3.46Å; I113-R115 VanDerWaalsContact C-N 3.34Å; I113-R115 PolarHBondContact O-N 2.86Å; R115-Y118 PolarHBondContact O-N 3.4Å; R115-I119 WeakPolarHBondContact O-CG1 3.32Å; R115-I119 PolarHBondContact O-N 2.9Å; R115-I119 VanDerWaalsContact O-N 3.07Å; R115-F134 HydrophobicContact CB-CE1 4.35Å; R115-V145 PolarHBondContact NE-O 3.04Å; R115-V145 PolarHBondContact NH2-O 2.87Å; R115-I147 HydrophobicContact CB-CB 4.2Å; R115-I147 HydrophobicContact CB-CG2 3.95Å; R115-I147 HydrophobicContact CG-CB 4.42Å; R115-I147 HydrophobicContact CG-CG2 4.32Å
116I98.9Very high98.7Very high1 Ų117 Ų171%0.0059%0.087CC..Hα-helixtrans-63.5-45.5178.3-67.5176.9000110.3M112 I113 Y118 I119 H120 V129 D195 L196 L199M112-I116 WeakPolarHBondContact O-CG1 3.49Å; M112-I116 PolarHBondContact O-N 2.73Å; M112-I116 VanDerWaalsContact O-N 3.08Å; I113-I116 PolarHBondContact O-N 3.25Å; I116-Y118 VanDerWaalsContact C-N 3.31Å; I116-Y118 PolarHBondContact O-N 3.19Å; I116-I119 PolarHBondContact O-N 2.69Å; I116-H120 WeakPolarHBondContact CG2-CE1 3.11Å; I116-H120 WeakPolarHBondContact O-CB 3.46Å; I116-H120 PolarHBondContact O-N 2.75Å; I116-H120 PolarHBondContact O-ND1 3.37Å; I116-V129 HydrophobicContact CD1-CG1 4.2Å; I116-V129 HydrophobicContact CD1-CG2 4.11Å; I116-D195 HydrophobicContact CG2-CB 4.01Å; I116-L196 HydrophobicContact CG2-CD2 3.91Å; I116-L196 HydrophobicContact CG2-CG 4.37Å; I116-L199 HydrophobicContact CD1-CB 3.9Å; I116-L199 HydrophobicContact CD1-CD2 3.79Å; I116-L199 HydrophobicContact CD1-CG 4.36Å
117E98.9Very high98.7Very high60 Ų6018.8 Ų18.828%0.289%0.094SC..Hα-helixtrans-56.5-44.7174.5178.9173.7-15500111.8I113 I119 H120 S121 Y266 R270I113-E117 WeakPolarHBondContact O-CB 3.33Å; I113-E117 PolarHBondContact O-N 3.12Å; E117-I119 PolarHBondContact O-N 3.09Å; E117-H120 PolarHBondContact O-N 3.3Å; E117-S121 WeakPolarHBondContact O-CB 3.42Å; E117-S121 PolarHBondContact O-N 2.83Å; E117-Y266 HydrophobicContact CB-CD1 3.77Å; E117-Y266 HydrophobicContact CB-CD2 4.06Å; E117-Y266 HydrophobicContact CB-CE1 4.15Å; E117-Y266 HydrophobicContact CB-CE2 4.42Å; E117-Y266 HydrophobicContact CB-CG 3.74Å; E117-Y266 HydrophobicContact CG-CD1 4.21Å; E117-Y266 HydrophobicContact CG-CD2 3.55Å; E117-Y266 HydrophobicContact CG-CE2 3.95Å; E117-Y266 HydrophobicContact CG-CG 3.71Å; E117-Y266 WeakPolarHBondContact OE1-CD2 3.35Å; E117-R270 IonicContact OE1-NH2 3.95Å; E117-R270 IonicContact OE2-CZ 3.29Å; E117-R270 IonicContact OE2-NH1 2.77Å; E117-R270 PolarHBondContact OE2-NH1 3.23Å; E117-R270 IonicContact OE2-NH2 2.76Å; E117-R270 PolarHBondContact OE2-NH2 2.96Å
118Y98.8Very high98.6Very high49 Ų4919.1 Ų19.119%0.19210%0.095CC..Hα-helixtrans-60.8-45.3178.4179.8-101.4000111.9M59 G62 I65 S114 R115 I116 H120 S121 K122M59-Y118 HydrophobicContact CB-CE1 4.2Å; M59-Y118 WeakPolarHBondContact O-CE1 3.36Å; M59-Y118 PolarHBondContact O-OH 2.87Å; G62-Y118 VanDerWaalsContact CA-OH 3.23Å; G62-Y118 WeakPolarHBondContact CA-OH 3.44Å; G62-Y118 PolarHBondContact N-OH 3.15Å; I65-Y118 HydrophobicContact CD1-CD1 4.11Å; I65-Y118 HydrophobicContact CD1-CE1 4.27Å; I65-Y118 HydrophobicContact CG1-CD1 3.95Å; I65-Y118 HydrophobicContact CG1-CE1 3.72Å; S114-Y118 WeakPolarHBondContact O-CB 3.45Å; S114-Y118 PolarHBondContact O-N 3.19Å; R115-Y118 PolarHBondContact O-N 3.4Å; I116-Y118 VanDerWaalsContact C-N 3.31Å; I116-Y118 PolarHBondContact O-N 3.19Å; Y118-H120 VanDerWaalsContact C-N 3.33Å; Y118-H120 PolarHBondContact O-N 2.81Å; Y118-S121 WeakPolarHBondContact O-CB 3.49Å; Y118-S121 PolarHBondContact O-N 3.05Å; Y118-S121 VanDerWaalsContact O-N 3.17Å; Y118-S121 PolarHBondContact O-OG 3.31Å; Y118-K122 HydrophobicContact CE1-CG 4.25Å; Y118-K122 PolarHBondContact O-N 3.17Å; Y118-K122 WeakPolarHBondContact OH-CE 3.33Å
119I98.7Very high98.6Very high0 Ų019.2 Ų19.20%010%0.096CC..Hα-helixtrans-59.6-45.8175.8-69.5161.6000110.9M59 R115 I116 E117 S121 K122 F124 I147 F150M59-I119 HydrophobicContact CE-CB 4.48Å; M59-I119 HydrophobicContact CE-CG1 4.25Å; M59-I119 HydrophobicContact CE-CG2 3.92Å; M59-I119 HydrophobicContact SD-CG1 4.02Å; R115-I119 WeakPolarHBondContact O-CG1 3.32Å; R115-I119 PolarHBondContact O-N 2.9Å; R115-I119 VanDerWaalsContact O-N 3.07Å; I116-I119 PolarHBondContact O-N 2.69Å; E117-I119 PolarHBondContact O-N 3.09Å; I119-S121 VanDerWaalsContact C-N 3.28Å; I119-S121 PolarHBondContact O-N 2.8Å; I119-K122 CarbonylContact O-C 3.49Å; I119-K122 WeakPolarHBondContact O-CA 3.36Å; I119-K122 PolarHBondContact O-N 3.41Å; I119-F124 CarbonylContact C-O 3.59Å; I119-F124 HydrophobicContact CG2-CB 4.08Å; I119-F124 WeakPolarHBondContact CG2-O 3.23Å; I119-F124 PolarHBondContact O-N 3.07Å; I119-I147 HydrophobicContact CD1-CD1 3.64Å; I119-I147 HydrophobicContact CD1-CG1 4.39Å; I119-I147 HydrophobicContact CD1-CG2 3.76Å; I119-F150 HydrophobicContact CD1-CE1 3.7Å; I119-F150 HydrophobicContact CD1-CZ 4.18Å; I119-F150 HydrophobicContact CG1-CE1 3.94Å; I119-F150 HydrophobicContact CG1-CZ 4.37Å
120H98.8Very high98.6Very high3 Ų319.8 Ų19.81%0.01410%0.098CC..Hα-helixtrans-62.5-34.6177-65.6167.4000112.6I116 E117 Y118 K122 N123 F124 Y156 R192 D195 Y266I116-H120 WeakPolarHBondContact CG2-CE1 3.11Å; I116-H120 WeakPolarHBondContact O-CB 3.46Å; I116-H120 PolarHBondContact O-N 2.75Å; I116-H120 PolarHBondContact O-ND1 3.37Å; E117-H120 PolarHBondContact O-N 3.3Å; Y118-H120 VanDerWaalsContact C-N 3.33Å; Y118-H120 PolarHBondContact O-N 2.81Å; H120-K122 PolarHBondContact O-N 3.11Å; H120-N123 PolarHBondContact O-N 2.91Å; H120-N123 VanDerWaalsContact O-N 3.11Å; H120-F124 WeakPolarHBondContact CA-O 3.21Å; H120-F124 PolarHBondContact CD2-O 2.92Å; H120-F124 VanDerWaalsContact CD2-O 3.25Å; H120-Y156 HydrophobicContact CB-CE1 4.47Å; H120-Y156 VanDerWaalsContact O-CE1 3.29Å; H120-Y156 WeakPolarHBondContact O-CE1 3.37Å; H120-Y156 PolarHBondContact O-OH 3.27Å; H120-R192 HydrophobicContact CB-CG 4.26Å; H120-R192 PolarHBondContact CE1-O 3.1Å; H120-D195 IonicContact CD2-OD2 2.74Å; H120-D195 IonicContact NE2-OD2 2.75Å; H120-D195 PolarHBondContact NE2-OD2 3.29Å; H120-D195 VanDerWaalsContact NE2-OD2 3.12Å; H120-Y266 AromaticContact ND1-CE1 3.51Å; H120-Y266 AromaticContact ND1-CZ 3.5Å; H120-Y266 PolarHBondContact ND1-OH 3.25Å
121S98.4Very high98.6Very high61 Ų6119.2 Ų19.243%0.42710%0.095SC..Hα-helixtrans-65.2-29.6175.184.40000112.2E117 Y118 I119 N123E117-S121 WeakPolarHBondContact O-CB 3.42Å; E117-S121 PolarHBondContact O-N 2.83Å; Y118-S121 WeakPolarHBondContact O-CB 3.49Å; Y118-S121 PolarHBondContact O-N 3.05Å; Y118-S121 VanDerWaalsContact O-N 3.17Å; Y118-S121 PolarHBondContact O-OG 3.31Å; I119-S121 VanDerWaalsContact C-N 3.28Å; I119-S121 PolarHBondContact O-N 2.8Å; S121-N123 PolarHBondContact O-N 2.86Å
122K98.1Very high98.5Very high77 Ų7721 Ų2134%0.33511%0.105SC..THydrogen-bonded Turntrans-84.811.7174.5-61.9-61.2-174.2176.30113.7M59 Y118 I119 H120 F124M59-K122 HydrophobicContact CG-CB 4.5Å; M59-K122 HydrophobicContact CG-CG 4.45Å; Y118-K122 HydrophobicContact CE1-CG 4.25Å; Y118-K122 PolarHBondContact O-N 3.17Å; Y118-K122 WeakPolarHBondContact OH-CE 3.33Å; I119-K122 CarbonylContact O-C 3.49Å; I119-K122 WeakPolarHBondContact O-CA 3.36Å; I119-K122 PolarHBondContact O-N 3.41Å; H120-K122 PolarHBondContact O-N 3.11Å; K122-F124 HydrophobicContact CB-CD2 4.22Å; K122-F124 WeakPolarHBondContact O-CD2 3.41Å; K122-F124 WeakPolarHBondContact O-CE2 2.78Å
123N98.2Very high98.5Very high19 Ų1921.3 Ų21.310%0.10211%0.107CC..THydrogen-bonded Turntrans76.216.2174.4-43.1-54.3000115.4H120 S121 K155 Y156 R157H120-N123 PolarHBondContact O-N 2.91Å; H120-N123 VanDerWaalsContact O-N 3.11Å; S121-N123 PolarHBondContact O-N 2.86Å; N123-K155 WeakPolarHBondContact O-CA 3.19Å; N123-Y156 VanDerWaalsContact O-CD1 3.23Å; N123-Y156 WeakPolarHBondContact O-CD1 3.25Å; N123-Y156 PolarHBondContact O-N 3.42Å; N123-R157 HydrophobicContact CB-CG 3.91Å; N123-R157 VanDerWaalsContact OD1-CZ 3.3Å; N123-R157 PolarHBondContact OD1-NE 3.31Å; N123-R157 PolarHBondContact OD1-NH2 3.44Å
124F98.3Very high98.5Very high13 Ų1321.3 Ų21.36%0.05711%0.107CC..EExtended strand (participates in β ladder)trans-118.2158.1-179.9-61.3-77.3000112F55 M58 M59 I119 H120 K122 K154 K155F55-F124 AromaticContact CD1-CD1 3.72Å; F55-F124 HydrophobicContact CD1-CD1 3.72Å; F55-F124 HydrophobicContact CD1-CD2 4.3Å; F55-F124 AromaticContact CD1-CE1 3.76Å; F55-F124 HydrophobicContact CD1-CE1 3.76Å; F55-F124 HydrophobicContact CD1-CE2 4.38Å; F55-F124 AromaticContact CD1-CG 3.96Å; F55-F124 HydrophobicContact CD1-CG 3.96Å; F55-F124 HydrophobicContact CD1-CZ 4.11Å; F55-F124 HydrophobicContact CE1-CB 4.39Å; F55-F124 AromaticContact CE1-CD1 3.1Å; F55-F124 HydrophobicContact CE1-CD1 3.1Å; F55-F124 HydrophobicContact CE1-CD2 4.46Å; F55-F124 AromaticContact CE1-CE1 3.22Å; F55-F124 HydrophobicContact CE1-CE1 3.22Å; F55-F124 AromaticContact CE1-CG 3.75Å; F55-F124 HydrophobicContact CE1-CG 3.75Å; F55-F124 HydrophobicContact CE1-CZ 4.03Å; F55-F124 HydrophobicContact CZ-CD1 4.05Å; F55-F124 AromaticContact CZ-CE1 3.93Å; F55-F124 HydrophobicContact CZ-CE1 3.93Å; M58-F124 HydrophobicContact CE-CE2 3.4Å; M58-F124 HydrophobicContact CE-CZ 3.49Å; M58-F124 VanDerWaalsContact CE-CZ 3.49Å; M58-F124 HydrophobicContact SD-CE2 3.97Å; M58-F124 HydrophobicContact SD-CZ 3.74Å; M59-F124 HydrophobicContact CE-CB 4.04Å; M59-F124 HydrophobicContact CE-CD2 3.95Å; M59-F124 HydrophobicContact CE-CG 4.22Å; I119-F124 CarbonylContact C-O 3.59Å; I119-F124 HydrophobicContact CG2-CB 4.08Å; I119-F124 WeakPolarHBondContact CG2-O 3.23Å; I119-F124 PolarHBondContact O-N 3.07Å; H120-F124 WeakPolarHBondContact CA-O 3.21Å; H120-F124 PolarHBondContact CD2-O 2.92Å; H120-F124 VanDerWaalsContact CD2-O 3.25Å; K122-F124 HydrophobicContact CB-CD2 4.22Å; K122-F124 WeakPolarHBondContact O-CD2 3.41Å; K122-F124 WeakPolarHBondContact O-CE2 2.78Å; F124-K154 CarbonylContact C-O 3.6Å; F124-K154 VanDerWaalsContact CA-O 3.27Å; F124-K154 WeakPolarHBondContact CA-O 3.17Å; F124-K155 VanDerWaalsContact CD1-CA 3.5Å; F124-K155 HydrophobicContact CD1-CB 3.88Å; F124-K155 HydrophobicContact CE1-CB 3.71Å; F124-K155 HydrophobicContact CE1-CG 4.24Å
125I98.7Very high98.5Very high0 Ų021 Ų210%010%0.103CC..EExtended strand (participates in β ladder)trans-115.5146.716550.7173.7000108.3R127 A153 K154 Y156 Q190 R192 D195I125-R127 HydrophobicContact CB-CG 4.32Å; I125-R127 HydrophobicContact CD1-CG 3.76Å; I125-R127 HydrophobicContact CG1-CG 3.81Å; I125-A153 CarbonylContact O-C 3.59Å; I125-A153 VanDerWaalsContact O-CA 3.23Å; I125-A153 WeakPolarHBondContact O-CA 3.16Å; I125-K154 HydrophobicContact CG1-CB 4.29Å; I125-K154 WeakPolarHBondContact CG1-O 3.22Å; I125-K154 PolarHBondContact N-O 3.2Å; I125-K154 PolarHBondContact O-N 3.48Å; I125-Y156 HydrophobicContact CG2-CD1 3.88Å; I125-Y156 HydrophobicContact CG2-CG 4.07Å; I125-Q190 HydrophobicContact CD1-CB 4Å; I125-Q190 WeakPolarHBondContact CD1-O 3.46Å; I125-R192 HydrophobicContact CG2-CG 4.17Å; I125-D195 WeakPolarHBondContact CA-OD2 3.48Å
126H98.4Very high98.4Very high0 Ų020.7 Ų20.70%010%0.102CC..  trans-79.9-46.3-174.4-168.1-84.5000112.4D128 V129 I148 D149 F150 L152 D195H126-D128 PolarHBondContact CE1-O 3.36Å; H126-D128 PolarHBondContact ND1-N 3.39Å; H126-D128 PolarHBondContact ND1-O 2.97Å; H126-D128 PolarHBondContact O-N 3.11Å; H126-V129 HydrophobicContact CB-CG2 4.25Å; H126-I148 PolarHBondContact NE2-O 3.39Å; H126-D149 PolarHBondContact CE1-O 3.02Å; H126-D149 PolarHBondContact NE2-O 3.27Å; H126-F150 AromaticContact CD2-CE1 3.85Å; H126-L152 CarbonylContact O-C 3.51Å; H126-D195 PolarHBondContact N-OD2 2.79Å
127R98.2Very high98.4Very high42 Ų4220.9 Ų20.916%0.15811%0.105CC..SBendtrans67.8-0177.1-52.5-165-65.4165.14117.4I125 L152 Q190 D195I125-R127 HydrophobicContact CB-CG 4.32Å; I125-R127 HydrophobicContact CD1-CG 3.76Å; I125-R127 HydrophobicContact CG1-CG 3.81Å; R127-L152 PolarHBondContact NE-O 3.2Å; R127-L152 PolarHBondContact NH2-O 3.16Å; R127-Q190 VanDerWaalsContact CA-OE1 3.27Å; R127-Q190 HydrophobicContact CG-CB 4.28Å; R127-Q190 VanDerWaalsContact CG-OE1 3.24Å; R127-D195 WeakPolarHBondContact CA-OD1 3.49Å; R127-D195 PolarHBondContact N-OD1 3.24Å
128D97.4Very high98.2Very high8 Ų821.6 Ų21.64%0.04311%0.11CC..  trans-141.454.4172.4-163.437.4000112.5H126 K130 N133 L152 G175 T176H126-D128 PolarHBondContact CE1-O 3.36Å; H126-D128 PolarHBondContact ND1-N 3.39Å; H126-D128 PolarHBondContact ND1-O 2.97Å; H126-D128 PolarHBondContact O-N 3.11Å; D128-K130 PolarHBondContact O-N 2.86Å; D128-K130 IonicContact OD1-NZ 3.73Å; D128-K130 WeakPolarHBondContact OD2-CE 3.42Å; D128-K130 IonicContact OD2-NZ 3.76Å; D128-K130 PolarHBondContact OD2-NZ 2.92Å; D128-N133 PolarHBondContact O-ND2 2.92Å; D128-N133 PolarHBondContact OD2-ND2 2.95Å; D128-L152 HydrophobicContact CB-CB 4.44Å; D128-L152 HydrophobicContact CB-CD1 3.84Å; D128-G175 WeakPolarHBondContact OD1-CA 3.41Å; D128-T176 WeakPolarHBondContact OD1-CB 3.41Å; D128-T176 PolarHBondContact OD1-N 2.95Å; D128-T176 PolarHBondContact OD1-OG1 3.12Å
129V98.8Very high98Very high2 Ų221.7 Ų21.71%0.01213%0.126CC..  trans-70.3113.1175.9176.40000109.4I116 H126 F134 Y179 D195 L199I116-V129 HydrophobicContact CD1-CG1 4.2Å; I116-V129 HydrophobicContact CD1-CG2 4.11Å; H126-V129 HydrophobicContact CB-CG2 4.25Å; V129-F134 HydrophobicContact CG1-CE2 3.91Å; V129-F134 HydrophobicContact CG1-CZ 4.24Å; V129-Y179 WeakPolarHBondContact O-CB 3.47Å; V129-D195 HydrophobicContact CG2-CB 4.01Å; V129-L199 HydrophobicContact CG1-CB 4.09Å
130K98.5Very high97.8Very high11 Ų1131.6 Ų31.65%0.04817%0.169CC..  trans-156.5158.9-17969.6-168.1-172.6-156.20111.2D128 D132 N133 F134 T176 Y179D128-K130 PolarHBondContact O-N 2.86Å; D128-K130 IonicContact OD1-NZ 3.73Å; D128-K130 WeakPolarHBondContact OD2-CE 3.42Å; D128-K130 IonicContact OD2-NZ 3.76Å; D128-K130 PolarHBondContact OD2-NZ 2.92Å; K130-D132 VanDerWaalsContact C-N 3.25Å; K130-D132 HydrophobicContact CD-CB 4.44Å; K130-D132 HydrophobicContact CG-CB 4.18Å; K130-D132 PolarHBondContact O-N 3.43Å; K130-N133 WeakPolarHBondContact CE-ND2 3.49Å; K130-N133 WeakPolarHBondContact CE-OD1 3.38Å; K130-N133 HydrophobicContact CG-CB 4.14Å; K130-N133 PolarHBondContact O-N 2.84Å; K130-F134 VanDerWaalsContact O-CD2 3.28Å; K130-F134 WeakPolarHBondContact O-CD2 3.46Å; K130-T176 VanDerWaalsContact CD-OG1 3.29Å; K130-T176 WeakPolarHBondContact CD-OG1 3.12Å; K130-Y179 HydrophobicContact CB-CD2 3.45Å; K130-Y179 VanDerWaalsContact CB-CD2 3.45Å; K130-Y179 HydrophobicContact CB-CE2 3.63Å; K130-Y179 HydrophobicContact CB-CG 4.37Å
131P98.7Very high97.7Very high0 Ų035.9 Ų35.90%019%0.188CC..G310 helixtrans-54.5-37.3-178.1-27.237000114.3L89 E90 N133 F134 Y179 V202 Y205 F206L89-P131 HydrophobicContact CB-CB 4.37Å; L89-P131 PolarHBondContact N-O 3.08Å; E90-P131 HydrophobicContact CB-CB 3.97Å; P131-N133 PolarHBondContact O-N 3.39Å; P131-F134 PolarHBondContact O-N 3.1Å; P131-Y179 VanDerWaalsContact CD-CZ 3.44Å; P131-Y179 HydrophobicContact CG-CE1 4.49Å; P131-V202 HydrophobicContact CG-CG1 3.97Å; P131-V202 HydrophobicContact CG-CG2 4.48Å; P131-Y205 HydrophobicContact CG-CD1 3.98Å; P131-Y205 HydrophobicContact CG-CE1 3.91Å; P131-F206 HydrophobicContact CB-CE1 3.94Å; P131-F206 HydrophobicContact CB-CZ 3.8Å; P131-F206 HydrophobicContact CG-CE1 3.92Å; P131-F206 HydrophobicContact CG-CZ 3.86Å
132D97.3Very high97.6Very high50 Ų5034.3 Ų34.327%0.26718%0.181SC..G310 helixtrans-62.6-27.6-179.9-47.9-107.3000113.2K130 F134 L135K130-D132 VanDerWaalsContact C-N 3.25Å; K130-D132 HydrophobicContact CD-CB 4.44Å; K130-D132 HydrophobicContact CG-CB 4.18Å; K130-D132 PolarHBondContact O-N 3.43Å; D132-F134 VanDerWaalsContact C-N 3.33Å; D132-L135 VanDerWaalsContact O-CD1 3.26Å; D132-L135 WeakPolarHBondContact O-CD1 3.36Å
133N98.1Very high97.6Very high7 Ų733.4 Ų33.44%0.03718%0.18CC..G310 helixtrans-914-177.9-72.9-11.4000113D128 K130 P131 I147 I148D128-N133 PolarHBondContact O-ND2 2.92Å; D128-N133 PolarHBondContact OD2-ND2 2.95Å; K130-N133 WeakPolarHBondContact CE-ND2 3.49Å; K130-N133 WeakPolarHBondContact CE-OD1 3.38Å; K130-N133 HydrophobicContact CG-CB 4.14Å; K130-N133 PolarHBondContact O-N 2.84Å; P131-N133 PolarHBondContact O-N 3.39Å; N133-I147 WeakPolarHBondContact O-CA 3.44Å; N133-I148 HydrophobicContact CB-CG1 4.36Å; N133-I148 WeakPolarHBondContact O-CG1 3.47Å; N133-I148 PolarHBondContact O-N 3.05Å
134F98.8Very high97.6Very high0 Ų034.2 Ų34.20%018%0.184CC..EExtended strand (participates in β ladder)trans-114.1121.8170.5-67.8-86.7000109.9S88 L89 M112 R115 V129 K130 P131 D132 V145 Y146 I147S88-F134 CarbonylContact C-O 3.53Å; S88-F134 VanDerWaalsContact CA-O 3.28Å; S88-F134 WeakPolarHBondContact CA-O 3.46Å; L89-F134 HydrophobicContact CD1-CB 3.54Å; L89-F134 HydrophobicContact CD1-CG 4.28Å; L89-F134 HydrophobicContact CG-CB 3.74Å; L89-F134 WeakPolarHBondContact CG-O 3.46Å; L89-F134 PolarHBondContact N-O 3.26Å; M112-F134 HydrophobicContact CB-CE1 4.1Å; M112-F134 HydrophobicContact CB-CZ 4.39Å; M112-F134 HydrophobicContact CE-CD1 4.18Å; M112-F134 HydrophobicContact CE-CD2 3.43Å; M112-F134 VanDerWaalsContact CE-CD2 3.43Å; M112-F134 HydrophobicContact CE-CE1 4.18Å; M112-F134 HydrophobicContact CE-CE2 3.45Å; M112-F134 VanDerWaalsContact CE-CE2 3.45Å; M112-F134 HydrophobicContact CE-CG 3.81Å; M112-F134 HydrophobicContact CE-CZ 3.84Å; M112-F134 HydrophobicContact CG-CD1 3.94Å; M112-F134 HydrophobicContact CG-CE1 3.91Å; M112-F134 HydrophobicContact CG-CG 4.39Å; M112-F134 HydrophobicContact CG-CZ 4.37Å; R115-F134 HydrophobicContact CB-CE1 4.35Å; V129-F134 HydrophobicContact CG1-CE2 3.91Å; V129-F134 HydrophobicContact CG1-CZ 4.24Å; K130-F134 VanDerWaalsContact O-CD2 3.28Å; K130-F134 WeakPolarHBondContact O-CD2 3.46Å; P131-F134 PolarHBondContact O-N 3.1Å; D132-F134 VanDerWaalsContact C-N 3.33Å; F134-V145 HydrophobicContact CB-CG1 4.1Å; F134-V145 HydrophobicContact CD1-CG1 3.78Å; F134-V145 HydrophobicContact CG-CG1 4.37Å; F134-Y146 CarbonylContact C-O 3.49Å; F134-Y146 WeakPolarHBondContact CA-O 3.48Å; F134-I147 HydrophobicContact CD1-CB 4.12Å; F134-I147 HydrophobicContact CD1-CG1 4.24Å; F134-I147 HydrophobicContact CE1-CB 3.96Å; F134-I147 HydrophobicContact CE1-CD1 3.67Å; F134-I147 HydrophobicContact CE1-CG1 3.88Å; F134-I147 HydrophobicContact CE2-CD1 4.47Å; F134-I147 HydrophobicContact CZ-CD1 3.64Å; F134-I147 HydrophobicContact CZ-CG1 4.17Å
135L98.6Very high97.6Very high26 Ų2633.6 Ų33.614%0.13618%0.181CC..EExtended strand (participates in β ladder)trans-120.3148.6-177.2-81.164.8000110.1L85 G86 P87 D132 V145 Y146 I148L85-L135 HydrophobicContact CB-CB 4.11Å; L85-L135 HydrophobicContact CB-CD2 3.83Å; L85-L135 HydrophobicContact CD1-CB 3.99Å; L85-L135 HydrophobicContact CD1-CD2 4.23Å; G86-L135 WeakPolarHBondContact O-CD2 3.49Å; P87-L135 WeakPolarHBondContact O-CA 3.49Å; D132-L135 VanDerWaalsContact O-CD1 3.26Å; D132-L135 WeakPolarHBondContact O-CD1 3.36Å; L135-V145 CarbonylContact O-C 3.55Å; L135-Y146 PolarHBondContact N-O 2.94Å; L135-Y146 WeakPolarHBondContact O-CB 3.48Å; L135-Y146 PolarHBondContact O-N 2.78Å; L135-I148 HydrophobicContact CD1-CD1 3.41Å; L135-I148 VanDerWaalsContact CD1-CD1 3.41Å; L135-I148 HydrophobicContact CD1-CG1 3.82Å; L135-I148 HydrophobicContact CD1-CG2 4.46Å; L135-I148 HydrophobicContact CD2-CD1 4.06Å; L135-I148 HydrophobicContact CG-CD1 4.4Å
136M98.7Very high97.6Very high5 Ų533.9 Ų33.93%0.02518%0.182CC..EExtended strand (participates in β ladder)trans-80.1148.3169.6-62.1-54.8-62.500110.6G86 P87 L89 L92 G142 V145 F288 W290G86-M136 VanDerWaalsContact CA-O 3.22Å; G86-M136 WeakPolarHBondContact CA-O 3.44Å; G86-M136 PolarHBondContact N-O 3.45Å; P87-M136 PolarHBondContact O-N 3.02Å; L89-M136 HydrophobicContact CD2-CG 4.4Å; L89-M136 HydrophobicContact CD2-SD 4.03Å; L92-M136 HydrophobicContact CD1-CB 4.44Å; L92-M136 HydrophobicContact CD1-CG 3.43Å; L92-M136 VanDerWaalsContact CD1-CG 3.43Å; M136-G142 WeakPolarHBondContact CE-O 3.48Å; M136-V145 HydrophobicContact CE-CG2 4.3Å; M136-V145 HydrophobicContact SD-CG2 3.77Å; M136-F288 HydrophobicContact CE-CE2 3.94Å; M136-F288 HydrophobicContact CE-CZ 4.19Å; M136-W290 HydrophobicContact CE-CZ2 4.08Å; M136-W290 HydrophobicContact CG-CZ2 4.02Å; M136-W290 HydrophobicContact SD-CH2 4.4Å; M136-W290 HydrophobicContact SD-CZ2 3.96Å
137G97.9Very high97.6Very high6 Ų633.9 Ų33.96%0.06218%0.182CC..PPolyproline II helixtrans-66171.417000000113K141 G142 L144G137-K141 VanDerWaalsContact CA-O 3.26Å; G137-K141 WeakPolarHBondContact CA-O 3.13Å; G137-G142 WeakPolarHBondContact O-CA 3.26Å; G137-L144 PolarHBondContact N-O 3.06Å
138L94.5Very high97.5Very high74 Ų7433.6 Ų33.639%0.38718%0.184SC..PPolyproline II helixtrans-101.6153.6174.9-66.9175.3000111.7L84 K140 K141L84-L138 HydrophobicContact CB-CD1 4.43Å; L84-L138 HydrophobicContact CD2-CD1 4.32Å; L84-L138 HydrophobicContact CG-CD1 4.12Å; L84-L138 WeakPolarHBondContact O-CD1 3.29Å; L138-K140 PolarHBondContact O-N 3.22Å; L138-K141 PolarHBondContact O-N 3.21Å
139G94.6Very high97.3Very high52 Ų5233.9 Ų33.954%0.53619%0.185SC..G310 helixtrans53.5-122.8174.400000112.8K141 G142G139-K141 PolarHBondContact O-N 2.79Å; G139-K141 VanDerWaalsContact O-N 3.13Å; G139-G142 PolarHBondContact O-N 3.08Å
140K94.6Very high97.1Very high208 Ų20833.8 Ų33.890%0.90418%0.184SC*.G310 helixtrans-61.5-19.7179.9-65.3-174-179.6-178.30114.2L138 G142L138-K140 PolarHBondContact O-N 3.22Å; K140-G142 VanDerWaalsContact C-N 3.34Å
141K96.9Very high96.7Very high93 Ų9333.9 Ų33.940%0.40419%0.189SC..G310 helixtrans-9513.5174.9-54.6-173.1-169.1170.60112.3E83 G137 L138 G139 N143 L144 Y146E83-K141 IonicContact OE1-NZ 3.55Å; E83-K141 PolarHBondContact OE1-NZ 3.48Å; G137-K141 VanDerWaalsContact CA-O 3.26Å; G137-K141 WeakPolarHBondContact CA-O 3.13Å; L138-K141 PolarHBondContact O-N 3.21Å; G139-K141 PolarHBondContact O-N 2.79Å; G139-K141 VanDerWaalsContact O-N 3.13Å; K141-N143 PolarHBondContact O-N 3.06Å; K141-N143 VanDerWaalsContact O-N 3.12Å; K141-L144 HydrophobicContact CB-CB 4.35Å; K141-L144 VanDerWaalsContact O-CB 3.29Å; K141-L144 WeakPolarHBondContact O-CB 3.33Å; K141-L144 PolarHBondContact O-N 2.9Å; K141-Y146 WeakPolarHBondContact CD-OH 3.43Å; K141-Y146 PolarHBondContact NZ-OH 3.34Å; K141-Y146 VanDerWaalsContact NZ-OH 3.14Å
142G96.7Very high96.4Very high28 Ų2835.3 Ų35.329%0.28920%0.196SC..THydrogen-bonded Turntrans-63-15.5-175.600000115.5M136 G137 G139 K140M136-G142 WeakPolarHBondContact CE-O 3.48Å; G137-G142 WeakPolarHBondContact O-CA 3.26Å; G139-G142 PolarHBondContact O-N 3.08Å; K140-G142 VanDerWaalsContact C-N 3.34Å
143N97.1Very high96.3Very high57 Ų5733.3 Ų33.331%0.30519%0.187SC..THydrogen-bonded Turntrans-93.6-4.5172.663.9-38.7000114Q111 K141 Y286 F288Q111-N143 PolarHBondContact NE2-O 2.72Å; K141-N143 PolarHBondContact O-N 3.06Å; K141-N143 VanDerWaalsContact O-N 3.12Å; N143-Y286 HydrophobicContact CB-CD1 4.16Å; N143-Y286 HydrophobicContact CB-CG 3.98Å; N143-F288 HydrophobicContact CB-CE2 4.45Å
144L98.7Very high96.2Very high37 Ų3735.6 Ų35.619%0.19420%0.197CC..  trans-94.4123.6-176.3-169.966.2000110.5V63 G137 K141 Y146V63-L144 HydrophobicContact CG1-CD1 3.76Å; V63-L144 HydrophobicContact CG1-CD2 4.36Å; G137-L144 PolarHBondContact N-O 3.06Å; K141-L144 HydrophobicContact CB-CB 4.35Å; K141-L144 VanDerWaalsContact O-CB 3.29Å; K141-L144 WeakPolarHBondContact O-CB 3.33Å; K141-L144 PolarHBondContact O-N 2.9Å; L144-Y146 HydrophobicContact CB-CE2 4.14Å; L144-Y146 HydrophobicContact CD2-CD2 4.37Å; L144-Y146 HydrophobicContact CD2-CE2 3.62Å; L144-Y146 HydrophobicContact CG-CD2 4.27Å; L144-Y146 HydrophobicContact CG-CE2 3.93Å
145V98.8Very high96.2Very high0 Ų039.7 Ų39.70%021%0.214CC..EExtended strand (participates in β ladder)trans-78.7134.1169.9-178.90000108.7L108 Q111 M112 R115 F134 L135 M136L108-V145 HydrophobicContact CD2-CG2 3.62Å; Q111-V145 HydrophobicContact CB-CB 4Å; Q111-V145 HydrophobicContact CB-CG2 3.96Å; Q111-V145 HydrophobicContact CG-CG2 4.46Å; M112-V145 HydrophobicContact CG-CG1 4.29Å; R115-V145 PolarHBondContact NE-O 3.04Å; R115-V145 PolarHBondContact NH2-O 2.87Å; F134-V145 HydrophobicContact CB-CG1 4.1Å; F134-V145 HydrophobicContact CD1-CG1 3.78Å; F134-V145 HydrophobicContact CG-CG1 4.37Å; L135-V145 CarbonylContact O-C 3.55Å; M136-V145 HydrophobicContact CE-CG2 4.3Å; M136-V145 HydrophobicContact SD-CG2 3.77Å
146Y98.8Very high96.2Very high6 Ų638.6 Ų38.62%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-109.8156.1171.7-78.4-109.1000109.9G64 P66 E83 L85 F134 L135 K141 L144G64-Y146 VanDerWaalsContact CA-CD1 3.48Å; G64-Y146 WeakPolarHBondContact O-CA 3.47Å; G64-Y146 WeakPolarHBondContact O-CD1 3.23Å; P66-Y146 HydrophobicContact CG-CD1 4.27Å; E83-Y146 PolarHBondContact OE1-OH 2.88Å; L85-Y146 HydrophobicContact CD1-CD1 3.85Å; L85-Y146 HydrophobicContact CD1-CD2 4.43Å; L85-Y146 HydrophobicContact CD1-CG 3.72Å; L85-Y146 HydrophobicContact CD2-CD1 3.85Å; L85-Y146 HydrophobicContact CD2-CD2 3.99Å; L85-Y146 HydrophobicContact CD2-CE1 3.83Å; L85-Y146 HydrophobicContact CD2-CE2 3.99Å; L85-Y146 HydrophobicContact CD2-CG 3.9Å; F134-Y146 CarbonylContact C-O 3.49Å; F134-Y146 WeakPolarHBondContact CA-O 3.48Å; L135-Y146 PolarHBondContact N-O 2.94Å; L135-Y146 WeakPolarHBondContact O-CB 3.48Å; L135-Y146 PolarHBondContact O-N 2.78Å; K141-Y146 WeakPolarHBondContact CD-OH 3.43Å; K141-Y146 PolarHBondContact NZ-OH 3.34Å; K141-Y146 VanDerWaalsContact NZ-OH 3.14Å; L144-Y146 HydrophobicContact CB-CE2 4.14Å; L144-Y146 HydrophobicContact CD2-CD2 4.37Å; L144-Y146 HydrophobicContact CD2-CE2 3.62Å; L144-Y146 HydrophobicContact CG-CD2 4.27Å; L144-Y146 HydrophobicContact CG-CE2 3.93Å
147I98.6Very high96.1Very high0 Ų040.2 Ų40.20%021%0.214CC..EExtended strand (participates in β ladder)trans-116.7139.4167.9-168.1168000109.8G64 I65 P66 R115 I119 N133 F134 F150G64-I147 PolarHBondContact O-N 3.41Å; I65-I147 HydrophobicContact CD1-CG2 3.75Å; P66-I147 WeakPolarHBondContact CD-O 3.33Å; R115-I147 HydrophobicContact CB-CB 4.2Å; R115-I147 HydrophobicContact CB-CG2 3.95Å; R115-I147 HydrophobicContact CG-CB 4.42Å; R115-I147 HydrophobicContact CG-CG2 4.32Å; I119-I147 HydrophobicContact CD1-CD1 3.64Å; I119-I147 HydrophobicContact CD1-CG1 4.39Å; I119-I147 HydrophobicContact CD1-CG2 3.76Å; N133-I147 WeakPolarHBondContact O-CA 3.44Å; F134-I147 HydrophobicContact CD1-CB 4.12Å; F134-I147 HydrophobicContact CD1-CG1 4.24Å; F134-I147 HydrophobicContact CE1-CB 3.96Å; F134-I147 HydrophobicContact CE1-CD1 3.67Å; F134-I147 HydrophobicContact CE1-CG1 3.88Å; F134-I147 HydrophobicContact CE2-CD1 4.47Å; F134-I147 HydrophobicContact CZ-CD1 3.64Å; F134-I147 HydrophobicContact CZ-CG1 4.17Å; I147-F150 HydrophobicContact CG2-CZ 4.31Å
148I96.2Very high96.2Very high36 Ų3642.5 Ų42.519%0.18523%0.225CC..  trans-133172.7-175.869.3163.7000111.7P66 L85 H126 N133 L135P66-I148 HydrophobicContact CG-CG2 3.72Å; L85-I148 HydrophobicContact CD1-CG2 3.94Å; H126-I148 PolarHBondContact NE2-O 3.39Å; N133-I148 HydrophobicContact CB-CG1 4.36Å; N133-I148 WeakPolarHBondContact O-CG1 3.47Å; N133-I148 PolarHBondContact O-N 3.05Å; L135-I148 HydrophobicContact CD1-CD1 3.41Å; L135-I148 VanDerWaalsContact CD1-CD1 3.41Å; L135-I148 HydrophobicContact CD1-CG1 3.82Å; L135-I148 HydrophobicContact CD1-CG2 4.46Å; L135-I148 HydrophobicContact CD2-CD1 4.06Å; L135-I148 HydrophobicContact CG-CD1 4.4Å
149D93.2Very high96.2Very high13 Ų1341.5 Ų41.57%0.0723%0.227CC..  trans66.380.8174.8-158.3-6.5000114.5K38 Y56 H126 G151K38-D149 IonicContact NZ-OD1 3.71Å; K38-D149 PolarHBondContact NZ-OD1 3.41Å; Y56-D149 PolarHBondContact OH-N 3.37Å; H126-D149 PolarHBondContact CE1-O 3.02Å; H126-D149 PolarHBondContact NE2-O 3.27Å; D149-G151 VanDerWaalsContact C-N 3.28Å; D149-G151 PolarHBondContact O-N 3.01Å; D149-G151 PolarHBondContact OD1-N 3.35Å
150F93.6Very high96.3Very high0 Ų049.4 Ų49.40%024%0.241CC..  trans-89.214.1175.4-62.3-74000113E52 F55 Y56 M59 I65 I119 H126 I147 L152 A153E52-F150 HydrophobicContact CG-CB 4.05Å; E52-F150 PolarHBondContact OE1-N 2.93Å; F55-F150 HydrophobicContact CB-CB 3.85Å; F55-F150 HydrophobicContact CB-CG 4.24Å; F55-F150 HydrophobicContact CG-CB 4.24Å; Y56-F150 AromaticContact CD1-CD2 3.85Å; Y56-F150 HydrophobicContact CD1-CD2 3.85Å; Y56-F150 AromaticContact CD1-CE2 3.73Å; Y56-F150 HydrophobicContact CD1-CE2 3.73Å; Y56-F150 AromaticContact CD2-CD2 3.98Å; Y56-F150 HydrophobicContact CD2-CD2 3.98Å; Y56-F150 AromaticContact CE1-CD2 3.57Å; Y56-F150 HydrophobicContact CE1-CD2 3.57Å; Y56-F150 AromaticContact CE1-CE2 3.42Å; Y56-F150 HydrophobicContact CE1-CE2 3.42Å; Y56-F150 VanDerWaalsContact CE1-CE2 3.42Å; Y56-F150 AromaticContact CE2-CD2 3.72Å; Y56-F150 HydrophobicContact CE2-CD2 3.72Å; Y56-F150 HydrophobicContact CE2-CE2 4.43Å; Y56-F150 HydrophobicContact CG-CD2 4.03Å; Y56-F150 HydrophobicContact CG-CE2 4.34Å; Y56-F150 AromaticContact CZ-CD2 3.5Å; Y56-F150 VanDerWaalsContact CZ-CD2 3.5Å; Y56-F150 AromaticContact CZ-CE2 3.81Å; M59-F150 HydrophobicContact CE-CD1 3.81Å; M59-F150 HydrophobicContact CE-CE1 3.63Å; M59-F150 HydrophobicContact CE-CZ 4.25Å; M59-F150 HydrophobicContact SD-CD1 3.97Å; M59-F150 HydrophobicContact SD-CD2 4.48Å; M59-F150 HydrophobicContact SD-CE1 3.34Å; M59-F150 WeakPolarHBondContact SD-CE1 3.49Å; M59-F150 HydrophobicContact SD-CE2 3.93Å; M59-F150 HydrophobicContact SD-CZ 3.33Å; M59-F150 WeakPolarHBondContact SD-CZ 3.45Å; I65-F150 HydrophobicContact CD1-CZ 4.16Å; I119-F150 HydrophobicContact CD1-CE1 3.7Å; I119-F150 HydrophobicContact CD1-CZ 4.18Å; I119-F150 HydrophobicContact CG1-CE1 3.94Å; I119-F150 HydrophobicContact CG1-CZ 4.37Å; H126-F150 AromaticContact CD2-CE1 3.85Å; I147-F150 HydrophobicContact CG2-CZ 4.31Å; F150-L152 PolarHBondContact O-N 3.13Å; F150-A153 HydrophobicContact CB-CB 3.92Å; F150-A153 HydrophobicContact CD1-CB 4.03Å; F150-A153 HydrophobicContact CG-CB 4.49Å; F150-A153 VanDerWaalsContact O-CB 3.29Å; F150-A153 WeakPolarHBondContact O-CB 3.47Å; F150-A153 PolarHBondContact O-N 3.22Å
151G90.7Very high96.5Very high14 Ų1443 Ų4314%0.14422%0.22CC..THydrogen-bonded Turntrans-61-32.4-179.100000112.7Q48 D149Q48-G151 PolarHBondContact OE1-O 2.82Å; Q48-G151 VanDerWaalsContact OE1-O 3.09Å; D149-G151 VanDerWaalsContact C-N 3.28Å; D149-G151 PolarHBondContact O-N 3.01Å; D149-G151 PolarHBondContact OD1-N 3.35Å
152L92.6Very high96.5Very high29 Ų2943.5 Ų43.515%0.15222%0.223CC..THydrogen-bonded Turntrans-94.73173.9-68.3178.8000113.8F20 H126 R127 D128 F150 T174F20-L152 HydrophobicContact CE2-CD2 4.21Å; F20-L152 HydrophobicContact CE2-CG 3.98Å; F20-L152 HydrophobicContact CZ-CD2 3.6Å; F20-L152 HydrophobicContact CZ-CG 3.86Å; H126-L152 CarbonylContact O-C 3.51Å; R127-L152 PolarHBondContact NE-O 3.2Å; R127-L152 PolarHBondContact NH2-O 3.16Å; D128-L152 HydrophobicContact CB-CB 4.44Å; D128-L152 HydrophobicContact CB-CD1 3.84Å; F150-L152 PolarHBondContact O-N 3.13Å; L152-T174 HydrophobicContact CD1-CG2 4.09Å; L152-T174 HydrophobicContact CD2-CG2 3.66Å; L152-T174 HydrophobicContact CG-CG2 4.32Å
153A95.3Very high96.6Very high9 Ų949.1 Ų49.17%0.07424%0.242CC..  trans-66.8154.1-17800000112.3F55 I125 F150F55-A153 HydrophobicContact CD1-CB 3.87Å; F55-A153 HydrophobicContact CE1-CB 3.53Å; F55-A153 HydrophobicContact CG-CB 4.47Å; F55-A153 HydrophobicContact CZ-CB 3.99Å; F55-A153 WeakPolarHBondContact CZ-O 3.21Å; I125-A153 CarbonylContact O-C 3.59Å; I125-A153 VanDerWaalsContact O-CA 3.23Å; I125-A153 WeakPolarHBondContact O-CA 3.16Å; F150-A153 HydrophobicContact CB-CB 3.92Å; F150-A153 HydrophobicContact CD1-CB 4.03Å; F150-A153 HydrophobicContact CG-CB 4.49Å; F150-A153 VanDerWaalsContact O-CB 3.29Å; F150-A153 WeakPolarHBondContact O-CB 3.47Å; F150-A153 PolarHBondContact O-N 3.22Å
154K95.8Very high96.7Very high55 Ų5548 Ų4824%0.23924%0.235CC..EExtended strand (participates in β ladder)trans-148.2143.8-180-179.4173.8170-177.30112.1F124 I125 Y156 E189F124-K154 CarbonylContact C-O 3.6Å; F124-K154 VanDerWaalsContact CA-O 3.27Å; F124-K154 WeakPolarHBondContact CA-O 3.17Å; I125-K154 HydrophobicContact CG1-CB 4.29Å; I125-K154 WeakPolarHBondContact CG1-O 3.22Å; I125-K154 PolarHBondContact N-O 3.2Å; I125-K154 PolarHBondContact O-N 3.48Å; K154-Y156 PolarHBondContact O-N 3.41Å; K154-E189 IonicContact NZ-OE1 2.96Å; K154-E189 PolarHBondContact NZ-OE1 2.78Å; K154-E189 IonicContact NZ-OE2 2.62Å; K154-E189 PolarHBondContact NZ-OE2 3.41Å
155K97.4Very high96.7Very high86 Ų8648 Ų4837%0.37423%0.234SC..EExtended strand (participates in β ladder)trans-69.9123.7174.6-170.9175172.1-170.10109N123 F124 R157 D158N123-K155 WeakPolarHBondContact O-CA 3.19Å; F124-K155 VanDerWaalsContact CD1-CA 3.5Å; F124-K155 HydrophobicContact CD1-CB 3.88Å; F124-K155 HydrophobicContact CE1-CB 3.71Å; F124-K155 HydrophobicContact CE1-CG 4.24Å; K155-R157 WeakPolarHBondContact CE-O 3.5Å; K155-R157 VanDerWaalsContact CG-O 3.23Å; K155-R157 WeakPolarHBondContact CG-O 3.49Å; K155-D158 IonicContact NZ-OD2 2.71Å; K155-D158 PolarHBondContact NZ-OD2 3.34Å
156Y98.6Very high96.7Very high3 Ų351.8 Ų51.81%0.01226%0.259CS..  trans-104.5-13.4-178.880.5-89.2000113.4H120 N123 I125 K154 H164 I165 R192H120-Y156 HydrophobicContact CB-CE1 4.47Å; H120-Y156 VanDerWaalsContact O-CE1 3.29Å; H120-Y156 WeakPolarHBondContact O-CE1 3.37Å; H120-Y156 PolarHBondContact O-OH 3.27Å; N123-Y156 VanDerWaalsContact O-CD1 3.23Å; N123-Y156 WeakPolarHBondContact O-CD1 3.25Å; N123-Y156 PolarHBondContact O-N 3.42Å; I125-Y156 HydrophobicContact CG2-CD1 3.88Å; I125-Y156 HydrophobicContact CG2-CG 4.07Å; K154-Y156 PolarHBondContact O-N 3.41Å; Y156-H164 AromaticContact CD2-CD2 3.52Å; Y156-H164 AromaticContact CD2-NE2 3.47Å; Y156-H164 WeakPolarHBondContact CD2-NE2 3.42Å; Y156-H164 AromaticContact CE2-CD2 3.93Å; Y156-I165 WeakPolarHBondContact O-CG1 3.29Å; Y156-I165 WeakPolarHBondContact O-CG2 3.46Å; Y156-I165 PolarHBondContact O-N 3.14Å; Y156-R192 HydrophobicContact CD1-CG 4.48Å; Y156-R192 HydrophobicContact CD2-CG 4.25Å; Y156-R192 HydrophobicContact CE1-CG 4.19Å; Y156-R192 HydrophobicContact CE2-CG 3.96Å; Y156-R192 PolarHBondContact OH-NH1 2.84Å
157R98.4Very high96.7Very high39 Ų3956.6 Ų56.615%0.14728%0.278CS..BIsolated β-bridgetrans-149157.1174.567.7177.1-176.1-175.10.1111.3N123 K155 Q163N123-R157 HydrophobicContact CB-CG 3.91Å; N123-R157 VanDerWaalsContact OD1-CZ 3.3Å; N123-R157 PolarHBondContact OD1-NE 3.31Å; N123-R157 PolarHBondContact OD1-NH2 3.44Å; K155-R157 WeakPolarHBondContact CE-O 3.5Å; K155-R157 VanDerWaalsContact CG-O 3.23Å; K155-R157 WeakPolarHBondContact CG-O 3.49Å; R157-Q163 CarbonylContact C-O 3.57Å; R157-Q163 WeakPolarHBondContact CA-O 3.45Å; R157-Q163 WeakPolarHBondContact CB-O 3.49Å
158D98.1Very high96.6Very high53 Ų5363.2 Ų63.228%0.28330%0.303SS..  trans-62.9144.3172.8-173.5-110.3000112K155 R160 T161 H162 Q163K155-D158 IonicContact NZ-OD2 2.71Å; K155-D158 PolarHBondContact NZ-OD2 3.34Å; D158-R160 WeakPolarHBondContact OD1-CA 3.47Å; D158-R160 WeakPolarHBondContact OD1-CB 3.47Å; D158-R160 PolarHBondContact OD1-N 3.1Å; D158-T161 WeakPolarHBondContact CB-OG1 3.26Å; D158-T161 PolarHBondContact OD1-N 2.66Å; D158-T161 PolarHBondContact OD1-OG1 3.38Å; D158-H162 WeakPolarHBondContact O-CA 3.5Å; D158-H162 PolarHBondContact O-CD2 2.81Å; D158-H162 PolarHBondContact O-N 3.43Å; D158-H162 VanDerWaalsContact O-N 3.11Å; D158-Q163 PolarHBondContact N-O 3.36Å
159A96Very high96.7Very high53 Ų5366.5 Ų66.544%0.43832%0.318SS..THydrogen-bonded Turntrans-77.9-23-175.400000112.9
160R96.5Very high96.8Very high218 Ų21873.3 Ų73.382%0.82335%0.354SS*.THydrogen-bonded Turntrans-99.3-49.5-179.3-176-177.966.3118.50.1111.2D158D158-R160 WeakPolarHBondContact OD1-CA 3.47Å; D158-R160 WeakPolarHBondContact OD1-CB 3.47Å; D158-R160 PolarHBondContact OD1-N 3.1Å
161T97.9Very high96.9Very high74 Ų7476.7 Ų76.745%0.45437%0.368SS..THydrogen-bonded Turntrans-89.2-12.6-175.7700000113.2D158 Q163D158-T161 WeakPolarHBondContact CB-OG1 3.26Å; D158-T161 PolarHBondContact OD1-N 2.66Å; D158-T161 PolarHBondContact OD1-OG1 3.38Å; T161-Q163 PolarHBondContact O-N 2.82Å; T161-Q163 VanDerWaalsContact OG1-CB 3.3Å; T161-Q163 WeakPolarHBondContact OG1-CB 3.21Å; T161-Q163 PolarHBondContact OG1-N 3.02Å
162H97.9Very high97Very high104 Ų10482.2 Ų82.248%0.48140%0.395SS..  trans5515.7-170-64.4164.3000114.5D158 H164D158-H162 WeakPolarHBondContact O-CA 3.5Å; D158-H162 PolarHBondContact O-CD2 2.81Å; D158-H162 PolarHBondContact O-N 3.43Å; D158-H162 VanDerWaalsContact O-N 3.11Å; H162-H164 PolarHBondContact O-N 2.98Å
163Q98.5Very high96.9Very high145 Ų14582.9 Ų82.968%0.67840%0.398SS*.PPolyproline II helixtrans-62.5122.5175.1-175.1177.225.100109.7R157 D158 T161R157-Q163 CarbonylContact C-O 3.57Å; R157-Q163 WeakPolarHBondContact CA-O 3.45Å; R157-Q163 WeakPolarHBondContact CB-O 3.49Å; D158-Q163 PolarHBondContact N-O 3.36Å; T161-Q163 PolarHBondContact O-N 2.82Å; T161-Q163 VanDerWaalsContact OG1-CB 3.3Å; T161-Q163 WeakPolarHBondContact OG1-CB 3.21Å; T161-Q163 PolarHBondContact OG1-N 3.02Å
164H98.8Very high96.7Very high34 Ų3483.9 Ų83.916%0.15740%0.404CS..BIsolated β-bridgetrans-68.3149179.4-160.6-83.4000111Y156 H162 F260 D261Y156-H164 AromaticContact CD2-CD2 3.52Å; Y156-H164 AromaticContact CD2-NE2 3.47Å; Y156-H164 WeakPolarHBondContact CD2-NE2 3.42Å; Y156-H164 AromaticContact CE2-CD2 3.93Å; H162-H164 PolarHBondContact O-N 2.98Å; H164-F260 AromaticContact CE1-CD1 3.93Å; H164-F260 AromaticContact CE1-CE1 3.53Å; H164-F260 AromaticContact CE1-CZ 3.77Å; H164-F260 AromaticContact ND1-CE1 3.6Å; H164-D261 HydrophobicContact CB-CB 4.15Å
165I98.6Very high96.5Very high37 Ų3782 Ų8219%0.1940%0.4CS..PPolyproline II helixtrans-58.7148.5169.958.5173.1000110Y156 E189 F260Y156-I165 WeakPolarHBondContact O-CG1 3.29Å; Y156-I165 WeakPolarHBondContact O-CG2 3.46Å; Y156-I165 PolarHBondContact O-N 3.14Å; I165-E189 HydrophobicContact CD1-CG 3.87Å; I165-F260 HydrophobicContact CD1-CZ 4.28Å; I165-F260 HydrophobicContact CG1-CE1 4.44Å; I165-F260 HydrophobicContact CG1-CZ 4.06Å; I165-F260 WeakPolarHBondContact O-CE1 3.28Å
166P98.4Very high96.4Very high80 Ų8078.8 Ų78.852%0.51939%0.387SS..PPolyproline II helixtrans-69.2151.6176.829.4-35.6000111
167Y98.6Very high96.3Very high106 Ų10678.9 Ų78.942%0.41639%0.389SS..PPolyproline II helixtrans-60.9139.6170.3180-93.3000110.7E169 I188 F260Y167-E169 HydrophobicContact CD1-CG 4.43Å; Y167-E169 HydrophobicContact CE1-CG 3.44Å; Y167-E169 VanDerWaalsContact CE1-CG 3.44Å; Y167-E169 WeakPolarHBondContact CE1-OE1 3.18Å; Y167-E169 WeakPolarHBondContact OH-CG 3.4Å; Y167-E169 PolarHBondContact OH-OE1 2.86Å; Y167-I188 HydrophobicContact CD2-CG2 4.2Å; Y167-I188 HydrophobicContact CE2-CG2 3.42Å; Y167-I188 VanDerWaalsContact CE2-CG2 3.42Å; Y167-F260 HydrophobicContact CD2-CB 4.15Å; Y167-F260 HydrophobicContact CD2-CD1 4.13Å; Y167-F260 HydrophobicContact CD2-CD2 4.14Å; Y167-F260 AromaticContact CD2-CG 3.87Å; Y167-F260 HydrophobicContact CD2-CG 3.87Å
168R98.1Very high96.3Very high140 Ų14079.5 Ų79.553%0.52839%0.391SS..  trans-147.4148.3177.1-61.3-175.9-178.5-168.91.3110.2E189R168-E189 HydrophobicContact CB-CB 4.1Å; R168-E189 WeakPolarHBondContact O-CB 3.44Å; R168-E189 PolarHBondContact O-N 2.7Å
169E97.5Very high96.3Very high105 Ų10577.1 Ų77.149%0.49138%0.378SS..  trans-115.7-172.7175-59.3-175.5175.100110.5Y167 K171 G187 I188Y167-E169 HydrophobicContact CD1-CG 4.43Å; Y167-E169 HydrophobicContact CE1-CG 3.44Å; Y167-E169 VanDerWaalsContact CE1-CG 3.44Å; Y167-E169 WeakPolarHBondContact CE1-OE1 3.18Å; Y167-E169 WeakPolarHBondContact OH-CG 3.4Å; Y167-E169 PolarHBondContact OH-OE1 2.86Å; E169-K171 PolarHBondContact O-N 2.82Å; E169-G187 CarbonylContact C-O 3.53Å; E169-G187 VanDerWaalsContact CA-O 3.32Å; E169-G187 WeakPolarHBondContact CA-O 3.47Å; E169-I188 HydrophobicContact CG-CG1 4.48Å
170N95.4Very high96.5Very high155 Ų15575 Ų7583%0.82936%0.36SS*.SBendtrans57.633.9178.8-56.6-53.2000113.6G187N170-G187 PolarHBondContact N-O 3.28Å
171K96.1Very high96.6Very high71 Ų7164.6 Ų64.631%0.30932%0.321SS..PPolyproline II helixtrans-82.5146.5172.7-63.5-58-140.8-179.10111.7E169 G187 E189E169-K171 PolarHBondContact O-N 2.82Å; K171-G187 VanDerWaalsContact CB-O 3.28Å; K171-G187 WeakPolarHBondContact CB-O 3.34Å; K171-G187 WeakPolarHBondContact CG-O 3.44Å; K171-G187 PolarHBondContact N-O 3.39Å; K171-G187 VanDerWaalsContact O-CA 3.27Å; K171-G187 WeakPolarHBondContact O-CA 3.48Å; K171-E189 WeakPolarHBondContact CE-OE1 3.32Å; K171-E189 WeakPolarHBondContact CE-OE2 3.28Å; K171-E189 HydrophobicContact CG-CB 4.35Å; K171-E189 IonicContact NZ-OE1 2.96Å; K171-E189 IonicContact NZ-OE2 2.85Å; K171-E189 PolarHBondContact NZ-OE2 2.89Å
172N92.1Very high96.6Very high131 Ų13162.2 Ų62.270%0.70131%0.305SS*.PPolyproline II helixtrans-70.7142.3166.7-65.6-31.5000110.4T174N172-T174 PolarHBondContact O-N 3.26Å; N172-T174 VanDerWaalsContact O-N 3.14Å; N172-T174 PolarHBondContact O-OG1 2.8Å
173L90.9Very high96.6Very high42 Ų4258.7 Ų58.722%0.2229%0.29CS..PPolyproline II helixtrans-56.7121170.9-172.7149000109.4A177 T184 H185 Y225L173-A177 HydrophobicContact CD1-CB 4.25Å; L173-A177 HydrophobicContact CD2-CB 4.22Å; L173-T184 HydrophobicContact CG-CG2 4.31Å; L173-H185 VanDerWaalsContact CD1-CE1 3.49Å; L173-H185 WeakPolarHBondContact CD1-CE1 3.19Å; L173-H185 VanDerWaalsContact CD1-ND1 3.35Å; L173-H185 WeakPolarHBondContact CD1-ND1 3.27Å; L173-Y225 HydrophobicContact CD1-CD2 4.17Å; L173-Y225 HydrophobicContact CD1-CG 4.27Å; L173-Y225 HydrophobicContact CD2-CD2 4.24Å; L173-Y225 HydrophobicContact CD2-CE2 3.97Å
174T91.1Very high96.6Very high31 Ų3152 Ų5219%0.1926%0.259CS..  trans-119139.3178.7-55.70000108.5L152 N172 Q190L152-T174 HydrophobicContact CD1-CG2 4.09Å; L152-T174 HydrophobicContact CD2-CG2 3.66Å; L152-T174 HydrophobicContact CG-CG2 4.32Å; N172-T174 PolarHBondContact O-N 3.26Å; N172-T174 VanDerWaalsContact O-N 3.14Å; N172-T174 PolarHBondContact O-OG1 2.8Å; T174-Q190 PolarHBondContact O-NE2 3.43Å
175G92.1Very high96.6Very high15 Ų1551.9 Ų51.916%0.15526%0.259CS..SBendtrans86.9-169.1-175.900000113.7D128 A177D128-G175 WeakPolarHBondContact OD1-CA 3.41Å; G175-A177 PolarHBondContact O-N 3.25Å
176T94.9Very high96.5Very high19 Ų1954.6 Ų54.612%0.11727%0.273CS..  trans-84.1110-173.7-53.80000111.7D128 K130 R178 Y179 A180D128-T176 WeakPolarHBondContact OD1-CB 3.41Å; D128-T176 PolarHBondContact OD1-N 2.95Å; D128-T176 PolarHBondContact OD1-OG1 3.12Å; K130-T176 VanDerWaalsContact CD-OG1 3.29Å; K130-T176 WeakPolarHBondContact CD-OG1 3.12Å; T176-R178 HydrophobicContact CG2-CB 4.26Å; T176-R178 PolarHBondContact O-N 3.18Å; T176-Y179 HydrophobicContact CG2-CD2 3.89Å; T176-Y179 HydrophobicContact CG2-CE2 4.19Å; T176-Y179 PolarHBondContact O-N 2.98Å; T176-A180 PolarHBondContact O-N 2.99Å
177A96.9Very high96.5Very high5 Ų551.1 Ų51.14%0.04125%0.252CS..THydrogen-bonded Turntrans-50-32.1-17600000115.4L173 G175 Y179 H185 Y225 I228 K232L173-A177 HydrophobicContact CD1-CB 4.25Å; L173-A177 HydrophobicContact CD2-CB 4.22Å; G175-A177 PolarHBondContact O-N 3.25Å; A177-Y179 VanDerWaalsContact C-N 3.3Å; A177-Y179 PolarHBondContact O-N 2.75Å; A177-H185 PolarHBondContact O-NE2 3.29Å; A177-H185 VanDerWaalsContact O-NE2 3.12Å; A177-Y225 HydrophobicContact CB-CD1 3.52Å; A177-Y225 HydrophobicContact CB-CE1 3.47Å; A177-Y225 VanDerWaalsContact CB-CE1 3.47Å; A177-Y225 HydrophobicContact CB-CG 4.27Å; A177-I228 HydrophobicContact CB-CD1 4.2Å; A177-K232 PolarHBondContact O-NZ 3.23Å
178R98.3Very high96.5Very high52 Ų5247 Ų4720%0.19624%0.237CC..THydrogen-bonded Turntrans-58.2-40.8176.8-171.2-172.2-59.3155.44112T176 L211 W213 Q214 K232 S395T176-R178 HydrophobicContact CG2-CB 4.26Å; T176-R178 PolarHBondContact O-N 3.18Å; R178-L211 HydrophobicContact CG-CD1 4.06Å; R178-W213 PolarHBondContact O-NE1 2.69Å; R178-Q214 HydrophobicContact CG-CG 4.16Å; R178-K232 WeakPolarHBondContact O-CE 3.48Å; R178-K232 PolarHBondContact O-NZ 3.48Å; R178-S395 PolarHBondContact NH2-OG 3.08Å; R178-S395 VanDerWaalsContact NH2-OG 3.1Å
179Y98.6Very high96.5Very high3 Ų340.7 Ų40.71%0.01221%0.213CC..THydrogen-bonded Turntrans-106.8-11.9-175.2-48.7-67000113V129 K130 P131 T176 A177 S198 Y201 V202 Y205 L211V129-Y179 WeakPolarHBondContact O-CB 3.47Å; K130-Y179 HydrophobicContact CB-CD2 3.45Å; K130-Y179 VanDerWaalsContact CB-CD2 3.45Å; K130-Y179 HydrophobicContact CB-CE2 3.63Å; K130-Y179 HydrophobicContact CB-CG 4.37Å; P131-Y179 VanDerWaalsContact CD-CZ 3.44Å; P131-Y179 HydrophobicContact CG-CE1 4.49Å; T176-Y179 HydrophobicContact CG2-CD2 3.89Å; T176-Y179 HydrophobicContact CG2-CE2 4.19Å; T176-Y179 PolarHBondContact O-N 2.98Å; A177-Y179 VanDerWaalsContact C-N 3.3Å; A177-Y179 PolarHBondContact O-N 2.75Å; Y179-S198 VanDerWaalsContact O-CA 3.25Å; Y179-S198 WeakPolarHBondContact O-CA 3.37Å; Y179-S198 VanDerWaalsContact O-CB 3.25Å; Y179-S198 WeakPolarHBondContact O-CB 3.46Å; Y179-S198 PolarHBondContact O-OG 3.42Å; Y179-S198 VanDerWaalsContact O-OG 3.06Å; Y179-Y201 WeakPolarHBondContact O-CD2 3.5Å; Y179-V202 HydrophobicContact CD1-CG2 3.71Å; Y179-V202 HydrophobicContact CE1-CG2 4.14Å; Y179-V202 HydrophobicContact CG-CG2 4Å; Y179-Y205 HydrophobicContact CE1-CD1 4.43Å; Y179-Y205 HydrophobicContact CE1-CG 4.16Å; Y179-L211 HydrophobicContact CD1-CD1 4.09Å; Y179-L211 HydrophobicContact CE1-CD1 4.06Å
180A98.4Very high96.6Very high7 Ų736.2 Ų36.26%0.05819%0.192CC..  trans-54142.9178.200000113.6T176 T184 K232T176-A180 PolarHBondContact O-N 2.99Å; A180-T184 HydrophobicContact CB-CG2 3.99Å; A180-K232 PolarHBondContact O-NZ 2.86Å
181S98.8Very high96.7Very high0 Ų028.9 Ų28.90%015%0.153CC..  trans-60.8160.117467.80000112.4N183 T184 H185 D194 E197S181-N183 VanDerWaalsContact C-N 3.29Å; S181-N183 PolarHBondContact O-N 3.14Å; S181-T184 WeakPolarHBondContact O-CB 3.28Å; S181-T184 PolarHBondContact O-N 3.22Å; S181-T184 WeakPolarHBondContact OG-CB 3.38Å; S181-T184 PolarHBondContact OG-N 2.94Å; S181-T184 VanDerWaalsContact OG-N 3.1Å; S181-T184 PolarHBondContact OG-OG1 3.18Å; S181-H185 PolarHBondContact O-CD2 3.42Å; S181-H185 PolarHBondContact O-N 3.24Å; S181-D194 WeakPolarHBondContact CB-OD1 3.47Å; S181-D194 PolarHBondContact OG-OD1 3.38Å; S181-E197 WeakPolarHBondContact CA-OE1 3.5Å
182I98.4Very high96.8Very high24 Ų2426.2 Ų26.212%0.12314%0.141CC..Hα-helixtrans-58.6-44.6172.3-70.2179.4000110.4T184 H185 L186 E197 K232 M233 R256I182-T184 PolarHBondContact O-N 2.85Å; I182-H185 WeakPolarHBondContact O-CB 3.48Å; I182-H185 PolarHBondContact O-N 2.91Å; I182-L186 HydrophobicContact CG2-CD1 3.9Å; I182-L186 HydrophobicContact CG2-CG 4.27Å; I182-L186 WeakPolarHBondContact O-CG 3.34Å; I182-L186 PolarHBondContact O-N 2.71Å; I182-E197 PolarHBondContact N-OE1 3.08Å; I182-K232 HydrophobicContact CG1-CB 4.3Å; I182-M233 HydrophobicContact CD1-CG 4.23Å; I182-M233 HydrophobicContact CG1-CG 4.48Å; I182-M233 HydrophobicContact CG2-CG 3.91Å; I182-M233 HydrophobicContact CG2-SD 4.3Å; I182-R256 VanDerWaalsContact CD1-CZ 3.44Å; I182-R256 VanDerWaalsContact CD1-NH2 3.3Å
183N98.6Very high97.2Very high31 Ų3121.4 Ų21.417%0.16611%0.113CC..Hα-helixtrans-56.4-38.2177.5-67.3-38.8000112.5S181 H185 L186 G187 I188 D194S181-N183 VanDerWaalsContact C-N 3.29Å; S181-N183 PolarHBondContact O-N 3.14Å; N183-H185 VanDerWaalsContact C-N 3.34Å; N183-H185 PolarHBondContact O-N 3.4Å; N183-L186 CarbonylContact O-C 3.4Å; N183-L186 PolarHBondContact O-N 3.05Å; N183-G187 PolarHBondContact O-N 3.49Å; N183-I188 HydrophobicContact CB-CB 4.13Å; N183-I188 HydrophobicContact CB-CD1 4.24Å; N183-I188 HydrophobicContact CB-CG2 4.49Å; N183-I188 WeakPolarHBondContact O-CB 3.49Å; N183-I188 PolarHBondContact O-N 3.16Å; N183-D194 WeakPolarHBondContact CB-OD1 3.3Å
184T98.1Very high97.5Very high5 Ų519.4 Ų19.43%0.03110%0.103CC..Hα-helixtrans-63.6-39.7176.4-60.50000112L173 A180 S181 I182 L186 G187 Q190L173-T184 HydrophobicContact CG-CG2 4.31Å; A180-T184 HydrophobicContact CB-CG2 3.99Å; S181-T184 WeakPolarHBondContact O-CB 3.28Å; S181-T184 PolarHBondContact O-N 3.22Å; S181-T184 WeakPolarHBondContact OG-CB 3.38Å; S181-T184 PolarHBondContact OG-N 2.94Å; S181-T184 VanDerWaalsContact OG-N 3.1Å; S181-T184 PolarHBondContact OG-OG1 3.18Å; I182-T184 PolarHBondContact O-N 2.85Å; T184-L186 VanDerWaalsContact C-N 3.3Å; T184-G187 PolarHBondContact O-N 3.18Å; T184-Q190 HydrophobicContact CG2-CG 4.45Å; T184-Q190 VanDerWaalsContact CG2-NE2 3.32Å; T184-Q190 VanDerWaalsContact OG1-CG 3.28Å; T184-Q190 WeakPolarHBondContact OG1-CG 3.48Å; T184-Q190 PolarHBondContact OG1-NE2 3.33Å
185H97.8Very high97.9Very high30 Ų3018 Ų1814%0.1399%0.094CC..Hα-helixtrans-67.5-32.4174.9-80.9-78.8000112.5L173 A177 S181 I182 N183 G187 S229L173-H185 VanDerWaalsContact CD1-CE1 3.49Å; L173-H185 WeakPolarHBondContact CD1-CE1 3.19Å; L173-H185 VanDerWaalsContact CD1-ND1 3.35Å; L173-H185 WeakPolarHBondContact CD1-ND1 3.27Å; A177-H185 PolarHBondContact O-NE2 3.29Å; A177-H185 VanDerWaalsContact O-NE2 3.12Å; S181-H185 PolarHBondContact O-CD2 3.42Å; S181-H185 PolarHBondContact O-N 3.24Å; I182-H185 WeakPolarHBondContact O-CB 3.48Å; I182-H185 PolarHBondContact O-N 2.91Å; N183-H185 VanDerWaalsContact C-N 3.34Å; N183-H185 PolarHBondContact O-N 3.4Å; H185-G187 PolarHBondContact O-N 3.22Å; H185-S229 VanDerWaalsContact CB-OG 3.3Å; H185-S229 WeakPolarHBondContact CB-OG 3.23Å
186L97.4Very high98.2Very high94 Ų9417.2 Ų17.249%0.4929%0.086SC..THydrogen-bonded Turntrans-76.82.6175.3-62.2176.3000113.4I182 N183 T184 I188 M233I182-L186 HydrophobicContact CG2-CD1 3.9Å; I182-L186 HydrophobicContact CG2-CG 4.27Å; I182-L186 WeakPolarHBondContact O-CG 3.34Å; I182-L186 PolarHBondContact O-N 2.71Å; N183-L186 CarbonylContact O-C 3.4Å; N183-L186 PolarHBondContact O-N 3.05Å; T184-L186 VanDerWaalsContact C-N 3.3Å; L186-I188 VanDerWaalsContact C-N 3.28Å; L186-I188 HydrophobicContact CB-CD1 4.25Å; L186-I188 HydrophobicContact CB-CG1 4.29Å; L186-I188 PolarHBondContact O-N 3.38Å; L186-M233 HydrophobicContact CD2-SD 4.04Å
187G97.7Very high98.4Very high7 Ų716.4 Ų16.47%0.0728%0.081CC..THydrogen-bonded Turntrans72.421.3179.200000113.7E169 N170 K171 N183 T184 H185E169-G187 CarbonylContact C-O 3.53Å; E169-G187 VanDerWaalsContact CA-O 3.32Å; E169-G187 WeakPolarHBondContact CA-O 3.47Å; N170-G187 PolarHBondContact N-O 3.28Å; K171-G187 VanDerWaalsContact CB-O 3.28Å; K171-G187 WeakPolarHBondContact CB-O 3.34Å; K171-G187 WeakPolarHBondContact CG-O 3.44Å; K171-G187 PolarHBondContact N-O 3.39Å; K171-G187 VanDerWaalsContact O-CA 3.27Å; K171-G187 WeakPolarHBondContact O-CA 3.48Å; N183-G187 PolarHBondContact O-N 3.49Å; T184-G187 PolarHBondContact O-N 3.18Å; H185-G187 PolarHBondContact O-N 3.22Å
188I98.6Very high98.5Very high20 Ų2016.5 Ų16.510%0.1038%0.081CC..PPolyproline II helixtrans-81.5139.6173.6-59.8171.5000108.8Y167 E169 N183 L186 Q190Y167-I188 HydrophobicContact CD2-CG2 4.2Å; Y167-I188 HydrophobicContact CE2-CG2 3.42Å; Y167-I188 VanDerWaalsContact CE2-CG2 3.42Å; E169-I188 HydrophobicContact CG-CG1 4.48Å; N183-I188 HydrophobicContact CB-CB 4.13Å; N183-I188 HydrophobicContact CB-CD1 4.24Å; N183-I188 HydrophobicContact CB-CG2 4.49Å; N183-I188 WeakPolarHBondContact O-CB 3.49Å; N183-I188 PolarHBondContact O-N 3.16Å; L186-I188 VanDerWaalsContact C-N 3.28Å; L186-I188 HydrophobicContact CB-CD1 4.25Å; L186-I188 HydrophobicContact CB-CG1 4.29Å; L186-I188 PolarHBondContact O-N 3.38Å; I188-Q190 PolarHBondContact O-N 3.45Å
189E98.6Very high98.6Very high8 Ų814 Ų144%0.0377%0.072CC..PPolyproline II helixtrans-55.3134.3173.6-176.479.6-98.900110K154 I165 R168 K171 F260K154-E189 IonicContact NZ-OE1 2.96Å; K154-E189 PolarHBondContact NZ-OE1 2.78Å; K154-E189 IonicContact NZ-OE2 2.62Å; K154-E189 PolarHBondContact NZ-OE2 3.41Å; I165-E189 HydrophobicContact CD1-CG 3.87Å; R168-E189 HydrophobicContact CB-CB 4.1Å; R168-E189 WeakPolarHBondContact O-CB 3.44Å; R168-E189 PolarHBondContact O-N 2.7Å; K171-E189 WeakPolarHBondContact CE-OE1 3.32Å; K171-E189 WeakPolarHBondContact CE-OE2 3.28Å; K171-E189 HydrophobicContact CG-CB 4.35Å; K171-E189 IonicContact NZ-OE1 2.96Å; K171-E189 IonicContact NZ-OE2 2.85Å; K171-E189 PolarHBondContact NZ-OE2 2.89Å; E189-F260 HydrophobicContact CB-CE2 4.32Å; E189-F260 HydrophobicContact CB-CZ 4.4Å; E189-F260 HydrophobicContact CG-CZ 4.33Å; E189-F260 WeakPolarHBondContact O-CE2 3.35Å
190Q98.8Very high98.6Very high11 Ų1114 Ų145%0.0517%0.072CC..PPolyproline II helixtrans-75.5150.6-179.4-69178.936.600111.4I125 R127 T174 T184 I188 D194I125-Q190 HydrophobicContact CD1-CB 4Å; I125-Q190 WeakPolarHBondContact CD1-O 3.46Å; R127-Q190 VanDerWaalsContact CA-OE1 3.27Å; R127-Q190 HydrophobicContact CG-CB 4.28Å; R127-Q190 VanDerWaalsContact CG-OE1 3.24Å; T174-Q190 PolarHBondContact O-NE2 3.43Å; T184-Q190 HydrophobicContact CG2-CG 4.45Å; T184-Q190 VanDerWaalsContact CG2-NE2 3.32Å; T184-Q190 VanDerWaalsContact OG1-CG 3.28Å; T184-Q190 WeakPolarHBondContact OG1-CG 3.48Å; T184-Q190 PolarHBondContact OG1-NE2 3.33Å; I188-Q190 PolarHBondContact O-N 3.45Å; Q190-D194 WeakPolarHBondContact CA-OD2 3.48Å; Q190-D194 HydrophobicContact CB-CB 4.19Å; Q190-D194 HydrophobicContact CG-CB 4.17Å
191S98.8Very high98.6Very high1 Ų113.6 Ų13.61%0.0077%0.07CC..  trans-141.1-171.417764.60000110.1R193 D194 F260S191-R193 PolarHBondContact O-N 3.4Å; S191-R193 WeakPolarHBondContact OG-CG 3.2Å; S191-D194 PolarHBondContact N-OD2 3.18Å; S191-D194 WeakPolarHBondContact O-CB 3.23Å; S191-D194 PolarHBondContact O-N 3.47Å; S191-D194 VanDerWaalsContact O-N 3.13Å; S191-D194 PolarHBondContact OG-OD2 3.01Å; S191-F260 WeakPolarHBondContact CB-O 3.49Å; S191-F260 PolarHBondContact OG-O 3.38Å
192R98.9Very high98.6Very high15 Ų1513.6 Ų13.66%0.0577%0.07CC..Hα-helixtrans-58.5-32.6-177.9-67.7172.4-75.8-162.2-1.8113.8H120 I125 Y156 D194 D261 D262 P264H120-R192 HydrophobicContact CB-CG 4.26Å; H120-R192 PolarHBondContact CE1-O 3.1Å; I125-R192 HydrophobicContact CG2-CG 4.17Å; Y156-R192 HydrophobicContact CD1-CG 4.48Å; Y156-R192 HydrophobicContact CD2-CG 4.25Å; Y156-R192 HydrophobicContact CE1-CG 4.19Å; Y156-R192 HydrophobicContact CE2-CG 3.96Å; Y156-R192 PolarHBondContact OH-NH1 2.84Å; R192-D194 PolarHBondContact O-N 3.24Å; R192-D261 PolarHBondContact NH2-O 2.89Å; R192-D262 PolarHBondContact NE-O 3.12Å; R192-D262 VanDerWaalsContact NH2-C 3.26Å; R192-D262 PolarHBondContact NH2-O 3.24Å; R192-P264 HydrophobicContact CB-CG 3.94Å
193R98.9Very high98.6Very high29 Ų2912.5 Ų12.511%0.1096%0.064CC..Hα-helixtrans-65.9-30.4-179.673-165.7172167.4-0.6112.2S191 L196 E197 L258S191-R193 PolarHBondContact O-N 3.4Å; S191-R193 WeakPolarHBondContact OG-CG 3.2Å; R193-L196 PolarHBondContact O-N 3Å; R193-E197 WeakPolarHBondContact O-CB 3.43Å; R193-E197 PolarHBondContact O-N 3.48Å; R193-L258 HydrophobicContact CB-CB 3.79Å; R193-L258 HydrophobicContact CB-CD1 3.77Å; R193-L258 HydrophobicContact CB-CG 4.46Å; R193-L258 VanDerWaalsContact CD-O 3.25Å; R193-L258 WeakPolarHBondContact CD-O 3.42Å; R193-L258 PolarHBondContact NH1-O 2.96Å
194D98.9Very high98.7Very high0 Ų011.1 Ų11.10%06%0.056CC..Hα-helixtrans-74.5-36.8-175.1-58.2-77.7000112.1S181 N183 Q190 S191 R192 L196 S198S181-D194 WeakPolarHBondContact CB-OD1 3.47Å; S181-D194 PolarHBondContact OG-OD1 3.38Å; N183-D194 WeakPolarHBondContact CB-OD1 3.3Å; Q190-D194 WeakPolarHBondContact CA-OD2 3.48Å; Q190-D194 HydrophobicContact CB-CB 4.19Å; Q190-D194 HydrophobicContact CG-CB 4.17Å; S191-D194 PolarHBondContact N-OD2 3.18Å; S191-D194 WeakPolarHBondContact O-CB 3.23Å; S191-D194 PolarHBondContact O-N 3.47Å; S191-D194 VanDerWaalsContact O-N 3.13Å; S191-D194 PolarHBondContact OG-OD2 3.01Å; R192-D194 PolarHBondContact O-N 3.24Å; D194-L196 VanDerWaalsContact C-N 3.33Å; D194-S198 VanDerWaalsContact O-CB 3.3Å; D194-S198 WeakPolarHBondContact O-CB 3.44Å; D194-S198 PolarHBondContact O-N 2.8Å; D194-S198 PolarHBondContact O-OG 3.02Å
195D98.9Very high98.7Very high1 Ų110.9 Ų10.91%0.0056%0.055CC..Hα-helixtrans-63.5-40171.5-80.2-21.5000111.2I116 H120 I125 H126 R127 V129 L199I116-D195 HydrophobicContact CG2-CB 4.01Å; H120-D195 IonicContact CD2-OD2 2.74Å; H120-D195 IonicContact NE2-OD2 2.75Å; H120-D195 PolarHBondContact NE2-OD2 3.29Å; H120-D195 VanDerWaalsContact NE2-OD2 3.12Å; I125-D195 WeakPolarHBondContact CA-OD2 3.48Å; H126-D195 PolarHBondContact N-OD2 2.79Å; R127-D195 WeakPolarHBondContact CA-OD1 3.49Å; R127-D195 PolarHBondContact N-OD1 3.24Å; V129-D195 HydrophobicContact CG2-CB 4.01Å; D195-L199 PolarHBondContact O-N 3.23Å
196L98.9Very high98.7Very high0 Ų09.5 Ų9.50%05%0.049CC..Hα-helixtrans-72.9-41.3179.2-68.9175.1000112.8I116 R193 D194 S198 L199 G200 Y251 P264 Y266 L269I116-L196 HydrophobicContact CG2-CD2 3.91Å; I116-L196 HydrophobicContact CG2-CG 4.37Å; R193-L196 PolarHBondContact O-N 3Å; D194-L196 VanDerWaalsContact C-N 3.33Å; L196-S198 VanDerWaalsContact C-N 3.29Å; L196-S198 PolarHBondContact O-N 2.86Å; L196-L199 WeakPolarHBondContact O-CB 3.25Å; L196-L199 PolarHBondContact O-N 3.02Å; L196-G200 PolarHBondContact O-N 3.22Å; L196-Y251 VanDerWaalsContact O-CE1 3.25Å; L196-Y251 WeakPolarHBondContact O-CE1 3.49Å; L196-Y251 PolarHBondContact O-OH 3.22Å; L196-P264 HydrophobicContact CD1-CB 3.39Å; L196-P264 HydrophobicContact CD1-CG 3.52Å; L196-Y266 HydrophobicContact CD1-CD1 4.2Å; L196-Y266 HydrophobicContact CD1-CE1 3.84Å; L196-Y266 HydrophobicContact CD2-CD1 4.24Å; L196-Y266 HydrophobicContact CD2-CE1 4.21Å; L196-Y266 HydrophobicContact CG-CE1 4.38Å; L196-L269 HydrophobicContact CD1-CD1 3.95Å; L196-L269 HydrophobicContact CD2-CD1 4.45Å
197E98.9Very high98.8Very high2 Ų25.6 Ų5.61%0.0093%0.028CC..Hα-helixtrans-61.3-42.5173.7-171.4-175.4138.900110.4S181 I182 R193 L199 G200 Y201 L252 C255S181-E197 WeakPolarHBondContact CA-OE1 3.5Å; I182-E197 PolarHBondContact N-OE1 3.08Å; R193-E197 WeakPolarHBondContact O-CB 3.43Å; R193-E197 PolarHBondContact O-N 3.48Å; E197-L199 VanDerWaalsContact C-N 3.32Å; E197-L199 PolarHBondContact O-N 3.03Å; E197-G200 WeakPolarHBondContact O-CA 3.28Å; E197-G200 PolarHBondContact O-N 3.27Å; E197-Y201 HydrophobicContact CG-CD2 4.49Å; E197-Y201 HydrophobicContact CG-CE2 3.72Å; E197-Y201 WeakPolarHBondContact O-CD2 3.25Å; E197-Y201 PolarHBondContact O-N 2.8Å; E197-Y201 VanDerWaalsContact O-N 3.12Å; E197-Y201 WeakPolarHBondContact OE1-CE2 3.41Å; E197-Y201 PolarHBondContact OE1-OH 3.47Å; E197-L252 HydrophobicContact CG-CD2 4.45Å; E197-C255 HydrophobicContact CB-CB 4.05Å
198S98.9Very high98.8Very high6 Ų68.2 Ų8.24%0.0424%0.04CC..Hα-helixtrans-59.5-42.5175.2-57.80000111.8Y179 D194 L196 G200 Y201 V202Y179-S198 VanDerWaalsContact O-CA 3.25Å; Y179-S198 WeakPolarHBondContact O-CA 3.37Å; Y179-S198 VanDerWaalsContact O-CB 3.25Å; Y179-S198 WeakPolarHBondContact O-CB 3.46Å; Y179-S198 PolarHBondContact O-OG 3.42Å; Y179-S198 VanDerWaalsContact O-OG 3.06Å; D194-S198 VanDerWaalsContact O-CB 3.3Å; D194-S198 WeakPolarHBondContact O-CB 3.44Å; D194-S198 PolarHBondContact O-N 2.8Å; D194-S198 PolarHBondContact O-OG 3.02Å; L196-S198 VanDerWaalsContact C-N 3.29Å; L196-S198 PolarHBondContact O-N 2.86Å; S198-G200 VanDerWaalsContact C-N 3.31Å; S198-G200 PolarHBondContact O-N 3.4Å; S198-Y201 PolarHBondContact O-N 2.86Å; S198-V202 WeakPolarHBondContact O-CG2 3.3Å; S198-V202 PolarHBondContact O-N 3.02Å
199L98.9Very high98.8Very high0 Ų08 Ų80%04%0.043CC..Hα-helixtrans-59.8-40.6172.8177.959.8000111.8M112 I113 I116 V129 D195 L196 E197 Y201 V202 L203M112-L199 HydrophobicContact CB-CD1 3.78Å; M112-L199 HydrophobicContact CB-CD2 3.97Å; M112-L199 HydrophobicContact CE-CD1 3.32Å; M112-L199 HydrophobicContact CG-CD1 4.4Å; M112-L199 HydrophobicContact SD-CD1 3.87Å; I113-L199 HydrophobicContact CB-CD2 4.47Å; I113-L199 HydrophobicContact CG1-CD2 3.62Å; I116-L199 HydrophobicContact CD1-CB 3.9Å; I116-L199 HydrophobicContact CD1-CD2 3.79Å; I116-L199 HydrophobicContact CD1-CG 4.36Å; V129-L199 HydrophobicContact CG1-CB 4.09Å; D195-L199 PolarHBondContact O-N 3.23Å; L196-L199 WeakPolarHBondContact O-CB 3.25Å; L196-L199 PolarHBondContact O-N 3.02Å; E197-L199 VanDerWaalsContact C-N 3.32Å; E197-L199 PolarHBondContact O-N 3.03Å; L199-Y201 VanDerWaalsContact C-N 3.31Å; L199-Y201 PolarHBondContact O-N 3Å; L199-V202 WeakPolarHBondContact O-CA 3.25Å; L199-V202 WeakPolarHBondContact O-CB 3.28Å; L199-V202 PolarHBondContact O-N 2.68Å; L199-L203 HydrophobicContact CD1-CD2 4.37Å; L199-L203 HydrophobicContact CD1-CG 4.23Å; L199-L203 HydrophobicContact CG-CD1 4.39Å; L199-L203 HydrophobicContact CG-CG 4.37Å; L199-L203 WeakPolarHBondContact O-CG 3.32Å; L199-L203 PolarHBondContact O-N 2.94Å
200G98.9Very high98.8Very high2 Ų210.7 Ų10.72%0.0216%0.062CC..Hα-helixtrans-58.3-42.2175.800000112.7L196 E197 S198 L203 M204L196-G200 PolarHBondContact O-N 3.22Å; E197-G200 WeakPolarHBondContact O-CA 3.28Å; E197-G200 PolarHBondContact O-N 3.27Å; S198-G200 VanDerWaalsContact C-N 3.31Å; S198-G200 PolarHBondContact O-N 3.4Å; G200-L203 PolarHBondContact O-N 3.2Å; G200-M204 PolarHBondContact O-N 3.06Å
201Y98.9Very high98.8Very high0 Ų010.3 Ų10.30%06%0.061CC..Hα-helixtrans-66.2-35.6173.3-60.5-45000112.8Y179 E197 S198 L199 M204 Y205 W213 L240 L252 R256Y179-Y201 WeakPolarHBondContact O-CD2 3.5Å; E197-Y201 HydrophobicContact CG-CD2 4.49Å; E197-Y201 HydrophobicContact CG-CE2 3.72Å; E197-Y201 WeakPolarHBondContact O-CD2 3.25Å; E197-Y201 PolarHBondContact O-N 2.8Å; E197-Y201 VanDerWaalsContact O-N 3.12Å; E197-Y201 WeakPolarHBondContact OE1-CE2 3.41Å; E197-Y201 PolarHBondContact OE1-OH 3.47Å; S198-Y201 PolarHBondContact O-N 2.86Å; L199-Y201 VanDerWaalsContact C-N 3.31Å; L199-Y201 PolarHBondContact O-N 3Å; Y201-M204 PolarHBondContact O-N 2.96Å; Y201-Y205 VanDerWaalsContact O-CB 3.3Å; Y201-Y205 WeakPolarHBondContact O-CB 3.42Å; Y201-Y205 PolarHBondContact O-N 3.42Å; Y201-W213 AromaticContact CD1-CH2 3.64Å; Y201-W213 HydrophobicContact CD1-CH2 3.64Å; Y201-W213 AromaticContact CD1-CZ2 3.72Å; Y201-W213 HydrophobicContact CD1-CZ2 3.72Å; Y201-W213 AromaticContact CE1-CH2 3.76Å; Y201-W213 HydrophobicContact CE1-CH2 3.76Å; Y201-W213 HydrophobicContact CE1-CZ2 4.15Å; Y201-W213 HydrophobicContact CG-CH2 4.4Å; Y201-W213 HydrophobicContact CG-CZ2 4.03Å; Y201-L240 HydrophobicContact CD1-CD2 4.12Å; Y201-L240 HydrophobicContact CE1-CD2 4.17Å; Y201-L252 HydrophobicContact CD1-CD2 4.15Å; Y201-L252 HydrophobicContact CE1-CD2 4.02Å; Y201-R256 PolarHBondContact OH-NH2 3.27Å
202V98.9Very high98.7Very high0 Ų012.9 Ų12.90%08%0.078CC..Hα-helixtrans-63.9-43.7174.1169.30000111.5M112 P131 Y179 S198 L199 Y205 F206M112-V202 HydrophobicContact CE-CG1 3.87Å; P131-V202 HydrophobicContact CG-CG1 3.97Å; P131-V202 HydrophobicContact CG-CG2 4.48Å; Y179-V202 HydrophobicContact CD1-CG2 3.71Å; Y179-V202 HydrophobicContact CE1-CG2 4.14Å; Y179-V202 HydrophobicContact CG-CG2 4Å; S198-V202 WeakPolarHBondContact O-CG2 3.3Å; S198-V202 PolarHBondContact O-N 3.02Å; L199-V202 WeakPolarHBondContact O-CA 3.25Å; L199-V202 WeakPolarHBondContact O-CB 3.28Å; L199-V202 PolarHBondContact O-N 2.68Å; V202-Y205 WeakPolarHBondContact O-CB 3.48Å; V202-Y205 PolarHBondContact O-N 3.03Å; V202-F206 HydrophobicContact CG1-CD2 4.09Å; V202-F206 HydrophobicContact CG1-CE2 3.44Å; V202-F206 VanDerWaalsContact CG1-CE2 3.44Å; V202-F206 HydrophobicContact CG1-CZ 3.79Å; V202-F206 WeakPolarHBondContact O-CD2 3.14Å; V202-F206 PolarHBondContact O-N 2.99Å
203L98.9Very high98.7Very high1 Ų112.4 Ų12.41%0.0058%0.076CC..Hα-helixtrans-63.9-42.9176.7-63.1178.2000111.4V105 A109 M112 L199 G200 Y205 F206 N207 F248 F273V105-L203 HydrophobicContact CG1-CB 4.41Å; V105-L203 HydrophobicContact CG1-CD2 4.12Å; A109-L203 HydrophobicContact CB-CD1 3.77Å; A109-L203 HydrophobicContact CB-CD2 3.82Å; A109-L203 HydrophobicContact CB-CG 4.47Å; M112-L203 HydrophobicContact SD-CD2 4.43Å; L199-L203 HydrophobicContact CD1-CD2 4.37Å; L199-L203 HydrophobicContact CD1-CG 4.23Å; L199-L203 HydrophobicContact CG-CD1 4.39Å; L199-L203 HydrophobicContact CG-CG 4.37Å; L199-L203 WeakPolarHBondContact O-CG 3.32Å; L199-L203 PolarHBondContact O-N 2.94Å; G200-L203 PolarHBondContact O-N 3.2Å; L203-Y205 VanDerWaalsContact C-N 3.32Å; L203-Y205 PolarHBondContact O-N 3.49Å; L203-F206 PolarHBondContact O-N 3.11Å; L203-N207 PolarHBondContact O-N 3.05Å; L203-N207 VanDerWaalsContact O-N 3.07Å; L203-F248 HydrophobicContact CB-CD1 4.31Å; L203-F248 HydrophobicContact CB-CE1 4.11Å; L203-F273 HydrophobicContact CD1-CE2 3.89Å; L203-F273 HydrophobicContact CD1-CZ 3.92Å
204M98.9Very high98.6Very high1 Ų113.6 Ų13.61%0.0058%0.083CC..Hα-helixtrans-65.9-34174.7-73.5-51.8-54.400112.9G200 Y201 N207 L208 L211 L240 C241 Y244 F248 L252G200-M204 PolarHBondContact O-N 3.06Å; Y201-M204 PolarHBondContact O-N 2.96Å; M204-N207 HydrophobicContact CE-CB 4.4Å; M204-N207 WeakPolarHBondContact O-CB 2.82Å; M204-N207 PolarHBondContact O-N 3.1Å; M204-L208 HydrophobicContact CB-CD1 4.37Å; M204-L208 HydrophobicContact CE-CD1 3.78Å; M204-L208 HydrophobicContact CE-CG 3.99Å; M204-L208 VanDerWaalsContact O-CB 3.28Å; M204-L208 WeakPolarHBondContact O-CB 3.48Å; M204-L208 WeakPolarHBondContact O-CD1 3.36Å; M204-L208 VanDerWaalsContact O-CG 3.31Å; M204-L208 WeakPolarHBondContact O-CG 3.44Å; M204-L208 PolarHBondContact O-N 3.36Å; M204-L211 HydrophobicContact CB-CD2 4.17Å; M204-L240 WeakPolarHBondContact CE-O 3.46Å; M204-L240 HydrophobicContact CG-CD2 4.44Å; M204-L240 HydrophobicContact CG-CG 4.44Å; M204-C241 HydrophobicContact CE-CB 4.39Å; M204-C241 HydrophobicContact SD-CB 4.49Å; M204-C241 VanDerWaalsContact SD-SG 3.65Å; M204-Y244 HydrophobicContact CE-CD2 4.03Å; M204-Y244 HydrophobicContact CE-CG 4.33Å; M204-F248 HydrophobicContact SD-CB 3.63Å; M204-F248 HydrophobicContact SD-CD1 4.03Å; M204-F248 HydrophobicContact SD-CG 3.87Å; M204-L252 HydrophobicContact CG-CD1 4.21Å
205Y98.9Very high98.4Very high1 Ų117.2 Ų17.20%0.00412%0.12CC..Hα-helixtrans-61-43.7172.8167.7-102.1000112.1E90 F93 R98 P131 Y179 Y201 V202 L203 N207 L208 G209 L211E90-Y205 VanDerWaalsContact CD-OH 3.24Å; E90-Y205 PolarHBondContact OE1-OH 2.87Å; E90-Y205 VanDerWaalsContact OE2-CE1 3.26Å; E90-Y205 WeakPolarHBondContact OE2-CE1 3.39Å; E90-Y205 PolarHBondContact OE2-OH 2.99Å; F93-Y205 AromaticContact CD1-CE1 3.8Å; F93-Y205 HydrophobicContact CD1-CE1 3.8Å; F93-Y205 HydrophobicContact CE1-CD1 4.34Å; F93-Y205 AromaticContact CE1-CE1 3.74Å; F93-Y205 HydrophobicContact CE1-CE1 3.74Å; F93-Y205 HydrophobicContact CE1-CE2 4.43Å; F93-Y205 AromaticContact CE1-CZ 3.82Å; R98-Y205 PolarHBondContact NH1-OH 2.79Å; R98-Y205 VanDerWaalsContact NH2-CZ 3.34Å; R98-Y205 PolarHBondContact NH2-OH 3.41Å; P131-Y205 HydrophobicContact CG-CD1 3.98Å; P131-Y205 HydrophobicContact CG-CE1 3.91Å; Y179-Y205 HydrophobicContact CE1-CD1 4.43Å; Y179-Y205 HydrophobicContact CE1-CG 4.16Å; Y201-Y205 VanDerWaalsContact O-CB 3.3Å; Y201-Y205 WeakPolarHBondContact O-CB 3.42Å; Y201-Y205 PolarHBondContact O-N 3.42Å; V202-Y205 WeakPolarHBondContact O-CB 3.48Å; V202-Y205 PolarHBondContact O-N 3.03Å; L203-Y205 VanDerWaalsContact C-N 3.32Å; L203-Y205 PolarHBondContact O-N 3.49Å; Y205-N207 VanDerWaalsContact C-N 3.34Å; Y205-N207 PolarHBondContact O-N 3.41Å; Y205-L208 PolarHBondContact O-N 3.46Å; Y205-G209 PolarHBondContact O-N 2.6Å; Y205-L211 HydrophobicContact CD2-CG 4.37Å
206F98.8Very high98.1Very high0 Ų019.6 Ų19.60%013%0.132CC..Hα-helixtrans-64.9-37.7175.5-65.9-39.6000113.1L89 F93 F100 V105 P131 V202 L203L89-F206 HydrophobicContact CB-CE1 4.46Å; L89-F206 HydrophobicContact CB-CZ 3.85Å; L89-F206 HydrophobicContact CD1-CE2 4.26Å; L89-F206 HydrophobicContact CD1-CZ 4.13Å; F93-F206 HydrophobicContact CB-CD1 4.46Å; F93-F206 HydrophobicContact CB-CE1 4.32Å; F93-F206 HydrophobicContact CD1-CD1 4.4Å; F93-F206 AromaticContact CD2-CD1 3.84Å; F93-F206 HydrophobicContact CD2-CD1 3.84Å; F93-F206 HydrophobicContact CE2-CB 4.35Å; F93-F206 HydrophobicContact CE2-CD1 4.02Å; F93-F206 WeakPolarHBondContact CE2-O 3.29Å; F93-F206 HydrophobicContact CG-CD1 4.02Å; F93-F206 HydrophobicContact CG-CE1 4.32Å; F93-F206 HydrophobicContact CZ-CD1 4.35Å; F100-F206 HydrophobicContact CD2-CB 3.89Å; F100-F206 AromaticContact CD2-CD1 3.79Å; F100-F206 HydrophobicContact CD2-CD1 3.79Å; F100-F206 HydrophobicContact CD2-CD2 4.37Å; F100-F206 HydrophobicContact CD2-CE1 4.42Å; F100-F206 AromaticContact CD2-CG 3.78Å; F100-F206 HydrophobicContact CD2-CG 3.78Å; F100-F206 AromaticContact CE2-CD1 3.71Å; F100-F206 HydrophobicContact CE2-CD1 3.71Å; F100-F206 AromaticContact CE2-CE1 3.89Å; F100-F206 HydrophobicContact CE2-CE1 3.89Å; F100-F206 HydrophobicContact CE2-CG 4.07Å; F100-F206 HydrophobicContact CE2-CZ 4.38Å; V105-F206 HydrophobicContact CG2-CB 3.89Å; P131-F206 HydrophobicContact CB-CE1 3.94Å; P131-F206 HydrophobicContact CB-CZ 3.8Å; P131-F206 HydrophobicContact CG-CE1 3.92Å; P131-F206 HydrophobicContact CG-CZ 3.86Å; V202-F206 HydrophobicContact CG1-CD2 4.09Å; V202-F206 HydrophobicContact CG1-CE2 3.44Å; V202-F206 VanDerWaalsContact CG1-CE2 3.44Å; V202-F206 HydrophobicContact CG1-CZ 3.79Å; V202-F206 WeakPolarHBondContact O-CD2 3.14Å; V202-F206 PolarHBondContact O-N 2.99Å; L203-F206 PolarHBondContact O-N 3.11Å
207N98.6Very high97.8Very high13 Ų1328.2 Ų28.27%0.0717%0.17CC..Hα-helixtrans-64.5-46.5175.4-83.7-18.7000112.2L203 M204 Y205 Y244 F248L203-N207 PolarHBondContact O-N 3.05Å; L203-N207 VanDerWaalsContact O-N 3.07Å; M204-N207 HydrophobicContact CE-CB 4.4Å; M204-N207 WeakPolarHBondContact O-CB 2.82Å; M204-N207 PolarHBondContact O-N 3.1Å; Y205-N207 VanDerWaalsContact C-N 3.34Å; Y205-N207 PolarHBondContact O-N 3.41Å; N207-Y244 VanDerWaalsContact C-OH 3.28Å; N207-Y244 HydrophobicContact CB-CD1 3.71Å; N207-Y244 HydrophobicContact CB-CE1 3.41Å; N207-Y244 VanDerWaalsContact CB-CE1 3.41Å; N207-Y244 HydrophobicContact CB-CG 4.41Å; N207-Y244 PolarHBondContact O-OH 3.19Å; N207-F248 VanDerWaalsContact ND2-CE1 3.27Å; N207-F248 WeakPolarHBondContact ND2-CE1 3.3Å; N207-F248 WeakPolarHBondContact ND2-CE2 3.18Å; N207-F248 WeakPolarHBondContact ND2-CZ 3.41Å
208L98.3Very high97.6Very high62 Ų6229.9 Ų29.933%0.32518%0.184SC..Hα-helixtrans-91.1-17.5-169.6-69.3164.8000114.4M204 Y205 S210 L211 L240 Y244M204-L208 HydrophobicContact CB-CD1 4.37Å; M204-L208 HydrophobicContact CE-CD1 3.78Å; M204-L208 HydrophobicContact CE-CG 3.99Å; M204-L208 VanDerWaalsContact O-CB 3.28Å; M204-L208 WeakPolarHBondContact O-CB 3.48Å; M204-L208 WeakPolarHBondContact O-CD1 3.36Å; M204-L208 VanDerWaalsContact O-CG 3.31Å; M204-L208 WeakPolarHBondContact O-CG 3.44Å; M204-L208 PolarHBondContact O-N 3.36Å; Y205-L208 PolarHBondContact O-N 3.46Å; L208-S210 WeakPolarHBondContact CB-O 3.4Å; L208-S210 PolarHBondContact O-N 3.29Å; L208-S210 VanDerWaalsContact O-N 3.11Å; L208-L211 HydrophobicContact CD1-CD2 4.49Å; L208-L240 HydrophobicContact CD1-CD1 3.98Å; L208-Y244 HydrophobicContact CD2-CD2 4.34Å; L208-Y244 HydrophobicContact CD2-CE2 3.43Å; L208-Y244 VanDerWaalsContact CD2-CE2 3.43Å; L208-Y244 HydrophobicContact CG-CE2 4.11Å
209G97.9Very high97.3Very high15 Ų1534 Ų3416%0.15522%0.218CC..SBendtrans81-29.2-169.200000113.8R98 Y205R98-G209 PolarHBondContact NH2-O 3.22Å; Y205-G209 PolarHBondContact O-N 2.6Å
210S98Very high97.1Very high64 Ų6437.2 Ų37.245%0.44824%0.238SC..SBendtrans-158.2155.4174.564.30000111.4L208 Q214L208-S210 WeakPolarHBondContact CB-O 3.4Å; L208-S210 PolarHBondContact O-N 3.29Å; L208-S210 VanDerWaalsContact O-N 3.11Å; S210-Q214 VanDerWaalsContact CA-OE1 3.28Å
211L98.6Very high96.6Very high3 Ų340.9 Ų40.92%0.01625%0.254CS..  trans-92.9148.2173.4-68.4165.2000110.7R178 Y179 M204 Y205 L208 W213 Q214 L240R178-L211 HydrophobicContact CG-CD1 4.06Å; Y179-L211 HydrophobicContact CD1-CD1 4.09Å; Y179-L211 HydrophobicContact CE1-CD1 4.06Å; M204-L211 HydrophobicContact CB-CD2 4.17Å; Y205-L211 HydrophobicContact CD2-CG 4.37Å; L208-L211 HydrophobicContact CD1-CD2 4.49Å; L211-W213 HydrophobicContact CB-CD2 4.16Å; L211-W213 HydrophobicContact CB-CG 4.49Å; L211-W213 HydrophobicContact CB-CZ2 3.96Å; L211-W213 HydrophobicContact CD1-CZ2 3.71Å; L211-W213 HydrophobicContact CD2-CH2 4.12Å; L211-W213 HydrophobicContact CD2-CZ2 3.79Å; L211-W213 HydrophobicContact CG-CZ2 4.02Å; L211-W213 PolarHBondContact O-N 3.06Å; L211-Q214 HydrophobicContact CB-CG 4.32Å; L211-Q214 WeakPolarHBondContact O-CB 3.16Å; L211-Q214 WeakPolarHBondContact O-CG 3.27Å; L211-Q214 PolarHBondContact O-N 3Å; L211-L240 HydrophobicContact CD2-CD1 4.16Å
212P98.3Very high96.2Very high56 Ų5649.6 Ų49.636%0.36429%0.286SS..THydrogen-bonded Turntrans-68.6-7.3-17226.5-34.1000114.7T235 L240P212-T235 HydrophobicContact CG-CG2 4.32Å; P212-L240 HydrophobicContact CG-CD1 3.93Å
213W98.4Very high96Very high4 Ų453.2 Ų53.22%0.01530%0.303CS..THydrogen-bonded Turntrans-102.214.2173.350.479.9000113.1R178 Y201 L211 L216 I228 K231 K232 L240R178-W213 PolarHBondContact O-NE1 2.69Å; Y201-W213 AromaticContact CD1-CH2 3.64Å; Y201-W213 HydrophobicContact CD1-CH2 3.64Å; Y201-W213 AromaticContact CD1-CZ2 3.72Å; Y201-W213 HydrophobicContact CD1-CZ2 3.72Å; Y201-W213 AromaticContact CE1-CH2 3.76Å; Y201-W213 HydrophobicContact CE1-CH2 3.76Å; Y201-W213 HydrophobicContact CE1-CZ2 4.15Å; Y201-W213 HydrophobicContact CG-CH2 4.4Å; Y201-W213 HydrophobicContact CG-CZ2 4.03Å; L211-W213 HydrophobicContact CB-CD2 4.16Å; L211-W213 HydrophobicContact CB-CG 4.49Å; L211-W213 HydrophobicContact CB-CZ2 3.96Å; L211-W213 HydrophobicContact CD1-CZ2 3.71Å; L211-W213 HydrophobicContact CD2-CH2 4.12Å; L211-W213 HydrophobicContact CD2-CZ2 3.79Å; L211-W213 HydrophobicContact CG-CZ2 4.02Å; L211-W213 PolarHBondContact O-N 3.06Å; W213-L216 HydrophobicContact CB-CD1 4.28Å; W213-I228 HydrophobicContact CB-CG2 4.23Å; W213-I228 HydrophobicContact CG-CG2 4.16Å; W213-K231 HydrophobicContact CB-CB 3.96Å; W213-K231 HydrophobicContact CB-CG 3.86Å; W213-K232 HydrophobicContact CD2-CD 4.36Å; W213-K232 HydrophobicContact CD2-CG 3.56Å; W213-K232 HydrophobicContact CE3-CB 4.47Å; W213-K232 HydrophobicContact CE3-CG 3.57Å; W213-K232 HydrophobicContact CG-CG 4.09Å; W213-K232 HydrophobicContact CH2-CG 4.13Å; W213-K232 HydrophobicContact CZ2-CD 4.42Å; W213-K232 VanDerWaalsContact CZ2-CE 3.49Å; W213-K232 HydrophobicContact CZ2-CG 4.11Å; W213-K232 HydrophobicContact CZ3-CG 3.88Å; W213-L240 HydrophobicContact CH2-CD1 4.07Å; W213-L240 HydrophobicContact CH2-CD2 3.87Å; W213-L240 HydrophobicContact CZ3-CD1 4.12Å; W213-L240 HydrophobicContact CZ3-CD2 4.34Å
214Q96.9Very high95.7Very high54 Ų5457.2 Ų57.225%0.25232%0.321SS..SBendtrans-82.8156.5169.9-70.5-176.1-117.300111.7R178 S210 L211 L216R178-Q214 HydrophobicContact CG-CG 4.16Å; S210-Q214 VanDerWaalsContact CA-OE1 3.28Å; L211-Q214 HydrophobicContact CB-CG 4.32Å; L211-Q214 WeakPolarHBondContact O-CB 3.16Å; L211-Q214 WeakPolarHBondContact O-CG 3.27Å; L211-Q214 PolarHBondContact O-N 3Å; Q214-L216 PolarHBondContact O-N 3.12Å; Q214-L216 VanDerWaalsContact O-N 3.16Å
215G93.6Very high95.4Very high76 Ų7659.3 Ų59.378%0.78433%0.329SS*.SBendtrans733174.400000115.7K217G215-K217 PolarHBondContact O-N 2.69Å
216L93.5Very high95.2Very high51 Ų5163.1 Ų63.127%0.26735%0.347SS..  trans-62.4120.6177.9-57.3-179.8000110.5W213 Q214 R227 I228 K231W213-L216 HydrophobicContact CB-CD1 4.28Å; Q214-L216 PolarHBondContact O-N 3.12Å; Q214-L216 VanDerWaalsContact O-N 3.16Å; L216-R227 HydrophobicContact CD1-CB 4.08Å; L216-I228 HydrophobicContact CD1-CG1 4.17Å; L216-K231 HydrophobicContact CD1-CB 4.15Å
217K93.2Very high95.2Very high182 Ų18268.7 Ų68.779%0.79137%0.368SS*.  trans-71.9146.8173.5-62.9-176.1179.2-179.80109.3G215 R227G215-K217 PolarHBondContact O-N 2.69Å; K217-R227 VanDerWaalsContact O-CD 3.28Å; K217-R227 WeakPolarHBondContact O-CD 3.24Å; K217-R227 PolarHBondContact O-NH1 3.37Å
218A93.4Very high95.1Very high37 Ų3768.6 Ų68.631%0.30637%0.367SS..  trans-162.2153.7172.400000108.7Q223 K224A218-Q223 HydrophobicContact CB-CB 3.92Å; A218-K224 HydrophobicContact CB-CB 3.78Å; A218-K224 HydrophobicContact CB-CG 4.42Å
219A94.2Very high95.1Very high92 Ų9266.2 Ų66.276%0.7636%0.356SS*.SBendtrans-77.1-33.5179.500000111.9
220T94.3Very high95.1Very high68 Ų6871.2 Ų71.242%0.41738%0.375SS..SBendtrans-123.8158.7178.973.20000112R222 Q223 K224T220-R222 VanDerWaalsContact C-N 3.27Å; T220-R222 PolarHBondContact O-N 3.49Å; T220-Q223 PolarHBondContact O-N 2.95Å; T220-Q223 WeakPolarHBondContact OG1-CG 3.38Å; T220-Q223 PolarHBondContact OG1-N 3.27Å; T220-Q223 VanDerWaalsContact OG1-N 3.17Å; T220-K224 PolarHBondContact O-N 3.34Å
221K88.2Confident95.1Very high79 Ų7972.2 Ų72.234%0.34337%0.371SS..Hα-helixtrans-59-38.8174.4-176178.7173.2-174.10111.9K224 Y225 L398 T399K221-K224 WeakPolarHBondContact O-CB 3.35Å; K221-K224 PolarHBondContact O-N 3.33Å; K221-Y225 HydrophobicContact CD-CE2 4.34Å; K221-Y225 VanDerWaalsContact CE-CZ 3.41Å; K221-Y225 WeakPolarHBondContact CE-OH 3.37Å; K221-Y225 HydrophobicContact CG-CD2 4.47Å; K221-Y225 HydrophobicContact CG-CE1 4.1Å; K221-Y225 HydrophobicContact CG-CE2 3.88Å; K221-Y225 WeakPolarHBondContact O-CD1 3.4Å; K221-Y225 PolarHBondContact O-N 3.3Å; K221-L398 WeakPolarHBondContact CE-O 3.42Å; K221-L398 PolarHBondContact NZ-O 3.18Å; K221-T399 PolarHBondContact NZ-O 2.94Å
222R90.6Very high95.1Very high183 Ų18372.1 Ų72.169%0.69137%0.371SS*.Hα-helixtrans-61.4-51.7175.8178.3177.3173.3155.31.4111.4T220 K224 Y225 E226T220-R222 VanDerWaalsContact C-N 3.27Å; T220-R222 PolarHBondContact O-N 3.49Å; R222-K224 PolarHBondContact O-N 3.25Å; R222-Y225 WeakPolarHBondContact O-CB 3.15Å; R222-Y225 PolarHBondContact O-N 3.25Å; R222-E226 WeakPolarHBondContact CG-OE1 3.31Å; R222-E226 IonicContact CZ-OE1 3.95Å; R222-E226 IonicContact NE-OE1 3.8Å; R222-E226 PolarHBondContact NE-OE1 2.96Å; R222-E226 IonicContact NH2-OE1 3.18Å; R222-E226 PolarHBondContact O-N 3Å
223Q94Very high95.1Very high75 Ų7573.9 Ų73.935%0.3538%0.375SS..Hα-helixtrans-59.9-35.4175.8-73.6173.2-3.900112A218 T220 Y225 E226 R227A218-Q223 HydrophobicContact CB-CB 3.92Å; T220-Q223 PolarHBondContact O-N 2.95Å; T220-Q223 WeakPolarHBondContact OG1-CG 3.38Å; T220-Q223 PolarHBondContact OG1-N 3.27Å; T220-Q223 VanDerWaalsContact OG1-N 3.17Å; Q223-Y225 VanDerWaalsContact C-N 3.33Å; Q223-Y225 PolarHBondContact O-N 3.18Å; Q223-E226 PolarHBondContact O-N 3.23Å; Q223-R227 WeakPolarHBondContact O-CB 3.22Å; Q223-R227 VanDerWaalsContact O-CG 3.31Å; Q223-R227 WeakPolarHBondContact O-CG 3.32Å; Q223-R227 PolarHBondContact O-N 3.01Å
224K93.8Very high95.1Very high86 Ų8677.6 Ų77.637%0.37440%0.402SS..Hα-helixtrans-62.2-41.7174.7-166.2173.6-177.2173.70111.5A218 T220 K221 R222 I228A218-K224 HydrophobicContact CB-CB 3.78Å; A218-K224 HydrophobicContact CB-CG 4.42Å; T220-K224 PolarHBondContact O-N 3.34Å; K221-K224 WeakPolarHBondContact O-CB 3.35Å; K221-K224 PolarHBondContact O-N 3.33Å; R222-K224 PolarHBondContact O-N 3.25Å; K224-I228 HydrophobicContact CG-CD1 4.28Å; K224-I228 VanDerWaalsContact O-CG1 3.25Å; K224-I228 WeakPolarHBondContact O-CG1 3.41Å; K224-I228 PolarHBondContact O-N 2.68Å
225Y92.9Very high95.1Very high45 Ų4575.5 Ų75.518%0.17639%0.393CS..Hα-helixtrans-68.8-42.5178.1-65.1-12.4000111.9L173 A177 K221 R222 Q223 R227 I228 S229L173-Y225 HydrophobicContact CD1-CD2 4.17Å; L173-Y225 HydrophobicContact CD1-CG 4.27Å; L173-Y225 HydrophobicContact CD2-CD2 4.24Å; L173-Y225 HydrophobicContact CD2-CE2 3.97Å; A177-Y225 HydrophobicContact CB-CD1 3.52Å; A177-Y225 HydrophobicContact CB-CE1 3.47Å; A177-Y225 VanDerWaalsContact CB-CE1 3.47Å; A177-Y225 HydrophobicContact CB-CG 4.27Å; K221-Y225 HydrophobicContact CD-CE2 4.34Å; K221-Y225 VanDerWaalsContact CE-CZ 3.41Å; K221-Y225 WeakPolarHBondContact CE-OH 3.37Å; K221-Y225 HydrophobicContact CG-CD2 4.47Å; K221-Y225 HydrophobicContact CG-CE1 4.1Å; K221-Y225 HydrophobicContact CG-CE2 3.88Å; K221-Y225 WeakPolarHBondContact O-CD1 3.4Å; K221-Y225 PolarHBondContact O-N 3.3Å; R222-Y225 WeakPolarHBondContact O-CB 3.15Å; R222-Y225 PolarHBondContact O-N 3.25Å; Q223-Y225 VanDerWaalsContact C-N 3.33Å; Q223-Y225 PolarHBondContact O-N 3.18Å; Y225-R227 PolarHBondContact O-N 3.03Å; Y225-I228 PolarHBondContact O-N 3.47Å; Y225-S229 WeakPolarHBondContact O-CB 2.97Å; Y225-S229 PolarHBondContact O-N 2.89Å
226E94.5Very high95.4Very high80 Ų8075 Ų7537%0.37438%0.375SS..Hα-helixtrans-57.1-48.6173.3-70.5163.6179.900110.8R222 Q223 I228 S229 E230R222-E226 WeakPolarHBondContact CG-OE1 3.31Å; R222-E226 IonicContact CZ-OE1 3.95Å; R222-E226 IonicContact NE-OE1 3.8Å; R222-E226 PolarHBondContact NE-OE1 2.96Å; R222-E226 IonicContact NH2-OE1 3.18Å; R222-E226 PolarHBondContact O-N 3Å; Q223-E226 PolarHBondContact O-N 3.23Å; E226-I228 PolarHBondContact O-N 3.42Å; E226-S229 VanDerWaalsContact O-CB 3.3Å; E226-S229 WeakPolarHBondContact O-CB 3.39Å; E226-S229 PolarHBondContact O-N 2.93Å; E226-S229 VanDerWaalsContact O-N 3.12Å; E226-E230 WeakPolarHBondContact O-CG 3.3Å; E226-E230 PolarHBondContact O-N 3.1Å
227R97.4Very high95.6Very high117 Ų11772.7 Ų72.744%0.44236%0.363SS..Hα-helixtrans-62-38.4176.5-71.9179.9-174.5-154.3-7113.7L216 K217 Q223 Y225 K231L216-R227 HydrophobicContact CD1-CB 4.08Å; K217-R227 VanDerWaalsContact O-CD 3.28Å; K217-R227 WeakPolarHBondContact O-CD 3.24Å; K217-R227 PolarHBondContact O-NH1 3.37Å; Q223-R227 WeakPolarHBondContact O-CB 3.22Å; Q223-R227 VanDerWaalsContact O-CG 3.31Å; Q223-R227 WeakPolarHBondContact O-CG 3.32Å; Q223-R227 PolarHBondContact O-N 3.01Å; Y225-R227 PolarHBondContact O-N 3.03Å; R227-K231 WeakPolarHBondContact O-CB 3.38Å; R227-K231 PolarHBondContact O-N 2.7Å
228I97.9Very high95.8Very high12 Ų1269.4 Ų69.46%0.06235%0.351CS..Hα-helixtrans-65.1-44174.8-70.8166.1000110A177 W213 L216 K224 Y225 E226 K231 K232A177-I228 HydrophobicContact CB-CD1 4.2Å; W213-I228 HydrophobicContact CB-CG2 4.23Å; W213-I228 HydrophobicContact CG-CG2 4.16Å; L216-I228 HydrophobicContact CD1-CG1 4.17Å; K224-I228 HydrophobicContact CG-CD1 4.28Å; K224-I228 VanDerWaalsContact O-CG1 3.25Å; K224-I228 WeakPolarHBondContact O-CG1 3.41Å; K224-I228 PolarHBondContact O-N 2.68Å; Y225-I228 PolarHBondContact O-N 3.47Å; E226-I228 PolarHBondContact O-N 3.42Å; I228-K231 PolarHBondContact O-N 3.42Å; I228-K232 HydrophobicContact CG2-CD 4.17Å; I228-K232 WeakPolarHBondContact O-CB 3.41Å; I228-K232 WeakPolarHBondContact O-CG 3.26Å; I228-K232 PolarHBondContact O-N 3.36Å
229S97.4Very high96.1Very high12 Ų1272 Ų728%0.08436%0.362CS..Hα-helixtrans-58.8-53.6177.5-174.40000111.2H185 Y225 E226 K231 K232 M233H185-S229 VanDerWaalsContact CB-OG 3.3Å; H185-S229 WeakPolarHBondContact CB-OG 3.23Å; Y225-S229 WeakPolarHBondContact O-CB 2.97Å; Y225-S229 PolarHBondContact O-N 2.89Å; E226-S229 VanDerWaalsContact O-CB 3.3Å; E226-S229 WeakPolarHBondContact O-CB 3.39Å; E226-S229 PolarHBondContact O-N 2.93Å; E226-S229 VanDerWaalsContact O-N 3.12Å; S229-K231 VanDerWaalsContact C-N 3.3Å; S229-K231 PolarHBondContact O-N 2.85Å; S229-K232 WeakPolarHBondContact O-CB 3.29Å; S229-K232 PolarHBondContact O-N 2.99Å; S229-K232 VanDerWaalsContact O-N 3.09Å; S229-M233 WeakPolarHBondContact O-CG 3.47Å; S229-M233 PolarHBondContact O-N 3.4Å; S229-M233 VanDerWaalsContact OG-CE 3.29Å; S229-M233 WeakPolarHBondContact OG-CE 3.26Å
230E97.9Very high96.3Very high119 Ų11968 Ų6856%0.55633%0.329SS*.Hα-helixtrans-55-46177-72.4167.3-173.700111.4E226 K232 M233 S234E226-E230 WeakPolarHBondContact O-CG 3.3Å; E226-E230 PolarHBondContact O-N 3.1Å; E230-K232 VanDerWaalsContact C-N 3.35Å; E230-K232 PolarHBondContact O-N 3.39Å; E230-M233 PolarHBondContact O-N 3.27Å; E230-S234 WeakPolarHBondContact O-CB 3.39Å; E230-S234 PolarHBondContact O-N 2.89Å; E230-S234 PolarHBondContact O-OG 2.83Å
231K98.4Very high96.5Very high85 Ų8565.1 Ų65.137%0.3731%0.311SS..Hα-helixtrans-66.2-36.1179.1-170.858.8176.31760112.4W213 L216 R227 I228 S229 S234 T235W213-K231 HydrophobicContact CB-CB 3.96Å; W213-K231 HydrophobicContact CB-CG 3.86Å; L216-K231 HydrophobicContact CD1-CB 4.15Å; R227-K231 WeakPolarHBondContact O-CB 3.38Å; R227-K231 PolarHBondContact O-N 2.7Å; I228-K231 PolarHBondContact O-N 3.42Å; S229-K231 VanDerWaalsContact C-N 3.3Å; S229-K231 PolarHBondContact O-N 2.85Å; K231-S234 WeakPolarHBondContact CA-OG 3.37Å; K231-S234 PolarHBondContact O-OG 3.44Å; K231-T235 VanDerWaalsContact O-CB 3.31Å; K231-T235 WeakPolarHBondContact O-CB 3.4Å; K231-T235 PolarHBondContact O-N 3.42Å; K231-T235 PolarHBondContact O-OG1 2.85Å
232K98.5Very high97Very high1 Ų169.5 Ų69.50%0.00433%0.33CS..Hα-helixtrans-65.9-45.5174.8-81.3179.6170.3-176.50112.2A177 R178 A180 I182 W213 I228 S229 E230 T235A177-K232 PolarHBondContact O-NZ 3.23Å; R178-K232 WeakPolarHBondContact O-CE 3.48Å; R178-K232 PolarHBondContact O-NZ 3.48Å; A180-K232 PolarHBondContact O-NZ 2.86Å; I182-K232 HydrophobicContact CG1-CB 4.3Å; W213-K232 HydrophobicContact CD2-CD 4.36Å; W213-K232 HydrophobicContact CD2-CG 3.56Å; W213-K232 HydrophobicContact CE3-CB 4.47Å; W213-K232 HydrophobicContact CE3-CG 3.57Å; W213-K232 HydrophobicContact CG-CG 4.09Å; W213-K232 HydrophobicContact CH2-CG 4.13Å; W213-K232 HydrophobicContact CZ2-CD 4.42Å; W213-K232 VanDerWaalsContact CZ2-CE 3.49Å; W213-K232 HydrophobicContact CZ2-CG 4.11Å; W213-K232 HydrophobicContact CZ3-CG 3.88Å; I228-K232 HydrophobicContact CG2-CD 4.17Å; I228-K232 WeakPolarHBondContact O-CB 3.41Å; I228-K232 WeakPolarHBondContact O-CG 3.26Å; I228-K232 PolarHBondContact O-N 3.36Å; S229-K232 WeakPolarHBondContact O-CB 3.29Å; S229-K232 PolarHBondContact O-N 2.99Å; S229-K232 VanDerWaalsContact O-N 3.09Å; E230-K232 VanDerWaalsContact C-N 3.35Å; E230-K232 PolarHBondContact O-N 3.39Å; K232-T235 PolarHBondContact O-N 3.39Å
233M97.6Very high97.4Very high94 Ų9464.7 Ų64.746%0.46334%0.337SS..Hα-helixtrans-68.2-37.4-179.9-69.3-176.8-69.700112I182 L186 S229 E230 T235I182-M233 HydrophobicContact CD1-CG 4.23Å; I182-M233 HydrophobicContact CG1-CG 4.48Å; I182-M233 HydrophobicContact CG2-CG 3.91Å; I182-M233 HydrophobicContact CG2-SD 4.3Å; L186-M233 HydrophobicContact CD2-SD 4.04Å; S229-M233 WeakPolarHBondContact O-CG 3.47Å; S229-M233 PolarHBondContact O-N 3.4Å; S229-M233 VanDerWaalsContact OG-CE 3.29Å; S229-M233 WeakPolarHBondContact OG-CE 3.26Å; E230-M233 PolarHBondContact O-N 3.27Å; M233-T235 VanDerWaalsContact C-N 3.33Å; M233-T235 PolarHBondContact O-N 2.77Å
234S98.1Very high97.6Very high81 Ų8165 Ų6557%0.56634%0.335SS*.THydrogen-bonded Turntrans-83.5-0.6178.559.50000114.7E230 K231 P236E230-S234 WeakPolarHBondContact O-CB 3.39Å; E230-S234 PolarHBondContact O-N 2.89Å; E230-S234 PolarHBondContact O-OG 2.83Å; K231-S234 WeakPolarHBondContact CA-OG 3.37Å; K231-S234 PolarHBondContact O-OG 3.44Å; S234-P236 WeakPolarHBondContact O-CD 3.36Å
235T98.6Very high97.8Very high11 Ų1162.3 Ų62.37%0.06733%0.327CS..SBendtrans-105103.2174.6-55.80000109.1P212 K231 K232 M233 V239 L240P212-T235 HydrophobicContact CG-CG2 4.32Å; K231-T235 VanDerWaalsContact O-CB 3.31Å; K231-T235 WeakPolarHBondContact O-CB 3.4Å; K231-T235 PolarHBondContact O-N 3.42Å; K231-T235 PolarHBondContact O-OG1 2.85Å; K232-T235 PolarHBondContact O-N 3.39Å; M233-T235 VanDerWaalsContact C-N 3.33Å; M233-T235 PolarHBondContact O-N 2.77Å; T235-V239 HydrophobicContact CG2-CB 4.43Å; T235-V239 HydrophobicContact CG2-CG1 4.29Å; T235-L240 HydrophobicContact CG2-CB 4.19Å
236P98.4Very high98.1Very high64 Ų6463.7 Ų63.742%0.41634%0.343SS..  trans-56.5150.3173.8-23.833.1000111.8S234 E238 V239 L240S234-P236 WeakPolarHBondContact O-CD 3.36Å; P236-E238 PolarHBondContact O-N 2.86Å; P236-V239 HydrophobicContact CB-CB 4.37Å; P236-V239 HydrophobicContact CB-CG2 4.02Å; P236-V239 HydrophobicContact CG-CG2 4Å; P236-V239 WeakPolarHBondContact O-CB 3.49Å; P236-V239 PolarHBondContact O-N 2.91Å; P236-V239 VanDerWaalsContact O-N 3.08Å; P236-L240 PolarHBondContact O-N 3.37Å
237I98.7Very high98.3Very high3 Ų360.6 Ų60.62%0.01533%0.329CS..Hα-helixtrans-62-37.5-178.8-78167.9000110.5V239 L240 C241 L252 N253 R256I237-V239 PolarHBondContact O-N 3.02Å; I237-L240 PolarHBondContact O-N 3.38Å; I237-C241 WeakPolarHBondContact O-CB 3.35Å; I237-C241 PolarHBondContact O-N 3.44Å; I237-L252 HydrophobicContact CD1-CB 3.76Å; I237-L252 HydrophobicContact CG1-CB 4.15Å; I237-L252 HydrophobicContact CG2-CB 4.01Å; I237-L252 HydrophobicContact CG2-CD1 4.34Å; I237-N253 WeakPolarHBondContact CD1-OD1 3.3Å; I237-R256 HydrophobicContact CD1-CG 4.35Å
238E97.9Very high98.4Very high113 Ų11355.2 Ų55.253%0.52831%0.309SS..Hα-helixtrans-64-33.2178.4-60.266.8-142.800111.2P236 K242 N253P236-E238 PolarHBondContact O-N 2.86Å; E238-K242 PolarHBondContact O-N 3.46Å; E238-K242 VanDerWaalsContact O-N 3.13Å; E238-N253 PolarHBondContact OE1-ND2 3.2Å
239V98.5Very high98.4Very high91 Ų9155.7 Ų55.755%0.55231%0.313SS*.Hα-helixtrans-74.6-43.9174.8176.20000110.5T235 P236 I237 C241 K242T235-V239 HydrophobicContact CG2-CB 4.43Å; T235-V239 HydrophobicContact CG2-CG1 4.29Å; P236-V239 HydrophobicContact CB-CB 4.37Å; P236-V239 HydrophobicContact CB-CG2 4.02Å; P236-V239 HydrophobicContact CG-CG2 4Å; P236-V239 WeakPolarHBondContact O-CB 3.49Å; P236-V239 PolarHBondContact O-N 2.91Å; P236-V239 VanDerWaalsContact O-N 3.08Å; I237-V239 PolarHBondContact O-N 3.02Å; V239-C241 VanDerWaalsContact C-N 3.32Å; V239-C241 PolarHBondContact O-N 3.38Å; V239-K242 WeakPolarHBondContact O-CB 3.37Å; V239-K242 PolarHBondContact O-N 3.24Å
240L98.7Very high98.5Very high10 Ų1057.4 Ų57.45%0.05232%0.323CS..Hα-helixtrans-60.3-42.2176.517764.1000111.8Y201 M204 L208 L211 P212 W213 T235 P236 I237 L252Y201-L240 HydrophobicContact CD1-CD2 4.12Å; Y201-L240 HydrophobicContact CE1-CD2 4.17Å; M204-L240 WeakPolarHBondContact CE-O 3.46Å; M204-L240 HydrophobicContact CG-CD2 4.44Å; M204-L240 HydrophobicContact CG-CG 4.44Å; L208-L240 HydrophobicContact CD1-CD1 3.98Å; L211-L240 HydrophobicContact CD2-CD1 4.16Å; P212-L240 HydrophobicContact CG-CD1 3.93Å; W213-L240 HydrophobicContact CH2-CD1 4.07Å; W213-L240 HydrophobicContact CH2-CD2 3.87Å; W213-L240 HydrophobicContact CZ3-CD1 4.12Å; W213-L240 HydrophobicContact CZ3-CD2 4.34Å; T235-L240 HydrophobicContact CG2-CB 4.19Å; P236-L240 PolarHBondContact O-N 3.37Å; I237-L240 PolarHBondContact O-N 3.38Å; L240-L252 HydrophobicContact CD2-CD1 3.9Å
241C98.7Very high98.5Very high6 Ų651.8 Ų51.84%0.04130%0.297CS..THydrogen-bonded Turntrans-92.25.9-176.1-63.50000113.8M204 I237 V239 G243 Y244M204-C241 HydrophobicContact CE-CB 4.39Å; M204-C241 HydrophobicContact SD-CB 4.49Å; M204-C241 VanDerWaalsContact SD-SG 3.65Å; I237-C241 WeakPolarHBondContact O-CB 3.35Å; I237-C241 PolarHBondContact O-N 3.44Å; V239-C241 VanDerWaalsContact C-N 3.32Å; V239-C241 PolarHBondContact O-N 3.38Å; C241-G243 PolarHBondContact O-N 2.96Å; C241-Y244 PolarHBondContact O-N 3.05Å
242K98.4Very high98.5Very high172 Ų17247.8 Ų47.875%0.74828%0.279SS*.THydrogen-bonded Turntrans-56.6128-177.2-173177.9-179.9179.40111.1E238 V239 Y244E238-K242 PolarHBondContact O-N 3.46Å; E238-K242 VanDerWaalsContact O-N 3.13Å; V239-K242 WeakPolarHBondContact O-CB 3.37Å; V239-K242 PolarHBondContact O-N 3.24Å; K242-Y244 VanDerWaalsContact C-N 3.34Å
243G97.9Very high98.5Very high81 Ų8151 Ų5184%0.83530%0.296SS*.THydrogen-bonded Turntrans84.31.6179.700000115.1C241C241-G243 PolarHBondContact O-N 2.96Å
244Y98.6Very high98.6Very high81 Ų8148.7 Ų48.732%0.31828%0.284SS..SBendtrans-112.3162.5173-66.6-90.1000110.8M204 N207 L208 C241 K242M204-Y244 HydrophobicContact CE-CD2 4.03Å; M204-Y244 HydrophobicContact CE-CG 4.33Å; N207-Y244 VanDerWaalsContact C-OH 3.28Å; N207-Y244 HydrophobicContact CB-CD1 3.71Å; N207-Y244 HydrophobicContact CB-CE1 3.41Å; N207-Y244 VanDerWaalsContact CB-CE1 3.41Å; N207-Y244 HydrophobicContact CB-CG 4.41Å; N207-Y244 PolarHBondContact O-OH 3.19Å; L208-Y244 HydrophobicContact CD2-CD2 4.34Å; L208-Y244 HydrophobicContact CD2-CE2 3.43Å; L208-Y244 VanDerWaalsContact CD2-CE2 3.43Å; L208-Y244 HydrophobicContact CG-CE2 4.11Å; C241-Y244 PolarHBondContact O-N 3.05Å; K242-Y244 VanDerWaalsContact C-N 3.34Å
245P98.8Very high98.6Very high31 Ų3144.8 Ų44.820%0.20126%0.257CS..  trans-53141.7177.8-28.235.4000113.5L102 E247 F248 L276L102-P245 HydrophobicContact CD1-CG 4.21Å; L102-P245 HydrophobicContact CD2-CG 3.91Å; P245-E247 VanDerWaalsContact CB-OE2 3.23Å; P245-E247 WeakPolarHBondContact CB-OE2 3.46Å; P245-E247 PolarHBondContact O-N 3.42Å; P245-F248 HydrophobicContact CB-CD2 4.2Å; P245-F248 HydrophobicContact CB-CE2 4.27Å; P245-F248 HydrophobicContact CG-CD2 4.47Å; P245-F248 HydrophobicContact CG-CE2 4.18Å; P245-F248 WeakPolarHBondContact O-CD2 3.36Å; P245-F248 PolarHBondContact O-N 3.02Å; P245-F248 VanDerWaalsContact O-N 3.11Å; P245-L276 HydrophobicContact CB-CD1 4.02Å; P245-L276 HydrophobicContact CB-CD2 3.5Å; P245-L276 VanDerWaalsContact CB-CD2 3.5Å; P245-L276 HydrophobicContact CB-CG 4.42Å; P245-L276 HydrophobicContact CG-CD1 4.3Å; P245-L276 HydrophobicContact CG-CD2 3.85Å
246S98.7Very high98.6Very high74 Ų7448.1 Ų48.152%0.51727%0.268SS..Hα-helixtrans-62-16.5-176.5480000114.1F248 S249 T250S246-F248 PolarHBondContact O-N 2.81Å; S246-S249 PolarHBondContact O-N 3.25Å; S246-S249 PolarHBondContact O-OG 3.4Å; S246-T250 WeakPolarHBondContact O-CB 3.36Å; S246-T250 PolarHBondContact O-N 3.12Å; S246-T250 PolarHBondContact O-OG1 3.28Å
247E98.8Very high98.6Very high15 Ų1549.2 Ų49.27%0.0728%0.278CS..Hα-helixtrans-58-35.4173.4-72.768.7-153.200112P245 T250 Y251 L272 F273 L276 R279P245-E247 VanDerWaalsContact CB-OE2 3.23Å; P245-E247 WeakPolarHBondContact CB-OE2 3.46Å; P245-E247 PolarHBondContact O-N 3.42Å; E247-T250 PolarHBondContact O-N 3.4Å; E247-Y251 VanDerWaalsContact O-CB 3.26Å; E247-Y251 WeakPolarHBondContact O-CB 3.26Å; E247-Y251 PolarHBondContact O-N 3.22Å; E247-L272 HydrophobicContact CB-CD1 4.2Å; E247-L272 HydrophobicContact CB-CD2 4.11Å; E247-L272 HydrophobicContact CB-CG 3.75Å; E247-L272 HydrophobicContact CG-CD1 3.71Å; E247-L272 HydrophobicContact CG-CD2 4.49Å; E247-L272 HydrophobicContact CG-CG 3.63Å; E247-L272 VanDerWaalsContact O-CD2 3.23Å; E247-L272 WeakPolarHBondContact O-CD2 3.18Å; E247-F273 HydrophobicContact CB-CD1 4.03Å; E247-F273 HydrophobicContact CB-CE1 3.93Å; E247-L276 HydrophobicContact CB-CD2 4.11Å; E247-L276 HydrophobicContact CG-CB 3.92Å; E247-L276 HydrophobicContact CG-CD2 4.03Å; E247-L276 HydrophobicContact CG-CG 4.5Å; E247-R279 IonicContact OE1-CZ 2.83Å; E247-R279 IonicContact OE1-NH2 2.8Å; E247-R279 PolarHBondContact OE1-NH2 3.33Å; E247-R279 IonicContact OE2-NH2 3.97Å
248F98.9Very high98.6Very high4 Ų449.7 Ų49.72%0.01828%0.28CS..Hα-helixtrans-69.5-41.5179.8-67-78.4000112.3L102 V105 L106 L203 M204 N207 P245 S246 L252 F273L102-F248 HydrophobicContact CD1-CE2 3.74Å; L102-F248 HydrophobicContact CD1-CZ 3.85Å; V105-F248 HydrophobicContact CG1-CE1 3.91Å; V105-F248 HydrophobicContact CG1-CZ 3.95Å; L106-F248 HydrophobicContact CD2-CZ 4.15Å; L203-F248 HydrophobicContact CB-CD1 4.31Å; L203-F248 HydrophobicContact CB-CE1 4.11Å; M204-F248 HydrophobicContact SD-CB 3.63Å; M204-F248 HydrophobicContact SD-CD1 4.03Å; M204-F248 HydrophobicContact SD-CG 3.87Å; N207-F248 VanDerWaalsContact ND2-CE1 3.27Å; N207-F248 WeakPolarHBondContact ND2-CE1 3.3Å; N207-F248 WeakPolarHBondContact ND2-CE2 3.18Å; N207-F248 WeakPolarHBondContact ND2-CZ 3.41Å; P245-F248 HydrophobicContact CB-CD2 4.2Å; P245-F248 HydrophobicContact CB-CE2 4.27Å; P245-F248 HydrophobicContact CG-CD2 4.47Å; P245-F248 HydrophobicContact CG-CE2 4.18Å; P245-F248 WeakPolarHBondContact O-CD2 3.36Å; P245-F248 PolarHBondContact O-N 3.02Å; P245-F248 VanDerWaalsContact O-N 3.11Å; S246-F248 PolarHBondContact O-N 2.81Å; F248-L252 PolarHBondContact O-N 3.48Å; F248-L252 VanDerWaalsContact O-N 3.16Å; F248-F273 AromaticContact CD1-CE1 3.79Å; F248-F273 HydrophobicContact CD1-CE1 3.79Å; F248-F273 HydrophobicContact CD1-CZ 4.07Å; F248-F273 AromaticContact CE1-CE1 3.76Å; F248-F273 HydrophobicContact CE1-CE1 3.76Å; F248-F273 HydrophobicContact CE1-CZ 4.21Å; F248-F273 HydrophobicContact CG-CE1 4.24Å; F248-F273 HydrophobicContact CZ-CE1 4.19Å
249S98.8Very high98.7Very high22 Ų2252.9 Ų52.915%0.15429%0.287CS..Hα-helixtrans-68.7-41.6174.6530000111.3S246 Y251 L252 N253S246-S249 PolarHBondContact O-N 3.25Å; S246-S249 PolarHBondContact O-OG 3.4Å; S249-Y251 VanDerWaalsContact C-N 3.34Å; S249-Y251 PolarHBondContact O-N 3.3Å; S249-L252 PolarHBondContact O-N 3.14Å; S249-N253 WeakPolarHBondContact O-CB 3.43Å; S249-N253 PolarHBondContact O-N 3.47Å; S249-N253 PolarHBondContact O-ND2 3.35Å
250T98.9Very high98.7Very high47 Ų4749.5 Ų49.529%0.28827%0.265SS..Hα-helixtrans-59-44.7175.7-56.80000111.4S246 E247 N253 F254 Y268 L272S246-T250 WeakPolarHBondContact O-CB 3.36Å; S246-T250 PolarHBondContact O-N 3.12Å; S246-T250 PolarHBondContact O-OG1 3.28Å; E247-T250 PolarHBondContact O-N 3.4Å; T250-N253 PolarHBondContact O-N 2.89Å; T250-F254 WeakPolarHBondContact O-CB 3.29Å; T250-F254 PolarHBondContact O-N 2.94Å; T250-Y268 WeakPolarHBondContact CG2-OH 3.35Å; T250-L272 HydrophobicContact CG2-CD1 4.11Å; T250-L272 HydrophobicContact CG2-CD2 4.03Å
251Y98.9Very high98.7Very high1 Ų153.6 Ų53.60%0.00429%0.287CS..Hα-helixtrans-58.9-49.4175.8177.5-79.1000111.8I113 L196 E247 S249 F254 C255 L269 F273I113-Y251 HydrophobicContact CD1-CE2 3.93Å; I113-Y251 HydrophobicContact CG1-CE2 4.26Å; L196-Y251 VanDerWaalsContact O-CE1 3.25Å; L196-Y251 WeakPolarHBondContact O-CE1 3.49Å; L196-Y251 PolarHBondContact O-OH 3.22Å; E247-Y251 VanDerWaalsContact O-CB 3.26Å; E247-Y251 WeakPolarHBondContact O-CB 3.26Å; E247-Y251 PolarHBondContact O-N 3.22Å; S249-Y251 VanDerWaalsContact C-N 3.34Å; S249-Y251 PolarHBondContact O-N 3.3Å; Y251-F254 PolarHBondContact O-N 3.4Å; Y251-C255 WeakPolarHBondContact CE1-SG 3.3Å; Y251-C255 PolarHBondContact O-N 2.98Å; Y251-C255 PolarHBondContact O-SG 2.86Å; Y251-L269 HydrophobicContact CD2-CB 4.09Å; Y251-L269 HydrophobicContact CD2-CD1 4.49Å; Y251-L269 HydrophobicContact CD2-CD2 3.52Å; Y251-L269 HydrophobicContact CD2-CG 4.23Å; Y251-L269 HydrophobicContact CE2-CB 3.97Å; Y251-L269 HydrophobicContact CE2-CD1 3.98Å; Y251-L269 HydrophobicContact CE2-CD2 3.88Å; Y251-L269 HydrophobicContact CE2-CG 4.16Å; Y251-L269 HydrophobicContact CG-CD2 4.19Å; Y251-F273 HydrophobicContact CD2-CD2 4.5Å; Y251-F273 AromaticContact CD2-CE2 3.44Å; Y251-F273 HydrophobicContact CD2-CE2 3.44Å; Y251-F273 VanDerWaalsContact CD2-CE2 3.44Å; Y251-F273 AromaticContact CD2-CZ 3.85Å; Y251-F273 HydrophobicContact CD2-CZ 3.85Å; Y251-F273 HydrophobicContact CE2-CE2 4.01Å; Y251-F273 HydrophobicContact CG-CE2 4.04Å; Y251-F273 AromaticContact CG-CZ 3.95Å; Y251-F273 HydrophobicContact CG-CZ 3.95Å
252L98.9Very high98.7Very high1 Ų156 Ų561%0.00530%0.3CS..Hα-helixtrans-66.3-41.5-179.3-79.7168.9000112E197 Y201 M204 I237 L240 F248 S249 F254 C255 R256E197-L252 HydrophobicContact CG-CD2 4.45Å; Y201-L252 HydrophobicContact CD1-CD2 4.15Å; Y201-L252 HydrophobicContact CE1-CD2 4.02Å; M204-L252 HydrophobicContact CG-CD1 4.21Å; I237-L252 HydrophobicContact CD1-CB 3.76Å; I237-L252 HydrophobicContact CG1-CB 4.15Å; I237-L252 HydrophobicContact CG2-CB 4.01Å; I237-L252 HydrophobicContact CG2-CD1 4.34Å; L240-L252 HydrophobicContact CD2-CD1 3.9Å; F248-L252 PolarHBondContact O-N 3.48Å; F248-L252 VanDerWaalsContact O-N 3.16Å; S249-L252 PolarHBondContact O-N 3.14Å; L252-F254 VanDerWaalsContact C-N 3.35Å; L252-C255 PolarHBondContact O-N 3.38Å; L252-R256 WeakPolarHBondContact O-CG 3.44Å; L252-R256 PolarHBondContact O-N 3.28Å
253N98.8Very high98.7Very high68 Ų6855.4 Ų55.436%0.36430%0.297SS..Hα-helixtrans-62.5-41.9176-80.7-33.5000111.2I237 E238 S249 T250 R256 S257I237-N253 WeakPolarHBondContact CD1-OD1 3.3Å; E238-N253 PolarHBondContact OE1-ND2 3.2Å; S249-N253 WeakPolarHBondContact O-CB 3.43Å; S249-N253 PolarHBondContact O-N 3.47Å; S249-N253 PolarHBondContact O-ND2 3.35Å; T250-N253 PolarHBondContact O-N 2.89Å; N253-R256 PolarHBondContact O-N 3.16Å; N253-S257 PolarHBondContact O-N 3.01Å; N253-S257 PolarHBondContact O-OG 3.04Å
254F98.9Very high98.8Very high46 Ų4651.7 Ų51.720%0.20226%0.258CS..Hα-helixtrans-59.7-46.6172.6-178.7-83.8000111.7T250 Y251 L252 R256 S257 L258 D265 Y268 L269T250-F254 WeakPolarHBondContact O-CB 3.29Å; T250-F254 PolarHBondContact O-N 2.94Å; Y251-F254 PolarHBondContact O-N 3.4Å; L252-F254 VanDerWaalsContact C-N 3.35Å; F254-R256 VanDerWaalsContact C-N 3.3Å; F254-R256 PolarHBondContact O-N 3.35Å; F254-S257 PolarHBondContact O-N 3.38Å; F254-S257 PolarHBondContact O-OG 3.43Å; F254-L258 HydrophobicContact CD1-CD1 4.3Å; F254-L258 HydrophobicContact CD1-CG 4.43Å; F254-L258 HydrophobicContact CE1-CD1 4.02Å; F254-L258 HydrophobicContact CE1-CD2 4.03Å; F254-L258 HydrophobicContact CE1-CG 4.18Å; F254-L258 HydrophobicContact CZ-CD2 4.25Å; F254-L258 WeakPolarHBondContact O-CG 3.43Å; F254-L258 PolarHBondContact O-N 2.89Å; F254-D265 HydrophobicContact CZ-CB 4.02Å; F254-Y268 HydrophobicContact CB-CE1 4.45Å; F254-Y268 AromaticContact CD2-CD1 3.79Å; F254-Y268 HydrophobicContact CD2-CD1 3.79Å; F254-Y268 AromaticContact CD2-CE1 3.58Å; F254-Y268 HydrophobicContact CD2-CE1 3.58Å; F254-Y268 AromaticContact CE2-CD1 3.76Å; F254-Y268 HydrophobicContact CE2-CD1 3.76Å; F254-Y268 HydrophobicContact CE2-CE1 4.01Å; F254-Y268 HydrophobicContact CG-CD1 4.35Å; F254-Y268 HydrophobicContact CG-CE1 4.11Å; F254-Y268 HydrophobicContact CZ-CD1 4.3Å; F254-L269 HydrophobicContact CB-CD2 4.13Å; F254-L269 HydrophobicContact CD1-CD1 4.02Å; F254-L269 HydrophobicContact CD1-CD2 3.57Å; F254-L269 HydrophobicContact CD1-CG 4.06Å; F254-L269 HydrophobicContact CE1-CD1 3.97Å; F254-L269 HydrophobicContact CE1-CD2 4.13Å; F254-L269 HydrophobicContact CE1-CG 4.11Å; F254-L269 HydrophobicContact CG-CD2 3.89Å
255C98.8Very high98.8Very high0 Ų051.9 Ų51.90%027%0.265CS..Hα-helixtrans-62.6-38.9-179.9-640000112.1E197 Y251 L252E197-C255 HydrophobicContact CB-CB 4.05Å; Y251-C255 WeakPolarHBondContact CE1-SG 3.3Å; Y251-C255 PolarHBondContact O-N 2.98Å; Y251-C255 PolarHBondContact O-SG 2.86Å; L252-C255 PolarHBondContact O-N 3.38Å
256R98.3Very high98.8Very high80 Ų8050.9 Ų50.930%0.30226%0.257SS..Hα-helixtrans-73-23.9178.2-72.3-166.7-176.1170.41.6113.8I182 Y201 I237 L252 N253 F254I182-R256 VanDerWaalsContact CD1-CZ 3.44Å; I182-R256 VanDerWaalsContact CD1-NH2 3.3Å; Y201-R256 PolarHBondContact OH-NH2 3.27Å; I237-R256 HydrophobicContact CD1-CG 4.35Å; L252-R256 WeakPolarHBondContact O-CG 3.44Å; L252-R256 PolarHBondContact O-N 3.28Å; N253-R256 PolarHBondContact O-N 3.16Å; F254-R256 VanDerWaalsContact C-N 3.3Å; F254-R256 PolarHBondContact O-N 3.35Å
257S98.6Very high98.8Very high88 Ų8850.6 Ų50.662%0.61526%0.255SS*.Hα-helixtrans-82.6-16.717970.30000113.8N253 F254 R259N253-S257 PolarHBondContact O-N 3.01Å; N253-S257 PolarHBondContact O-OG 3.04Å; F254-S257 PolarHBondContact O-N 3.38Å; F254-S257 PolarHBondContact O-OG 3.43Å; S257-R259 PolarHBondContact O-N 3.06Å
258L98.8Very high98.8Very high13 Ų1354.2 Ų54.27%0.06827%0.269CS..SBendtrans-61.8133.5177.2-70.1167.7000111.6R193 F254 D262 P264R193-L258 HydrophobicContact CB-CB 3.79Å; R193-L258 HydrophobicContact CB-CD1 3.77Å; R193-L258 HydrophobicContact CB-CG 4.46Å; R193-L258 VanDerWaalsContact CD-O 3.25Å; R193-L258 WeakPolarHBondContact CD-O 3.42Å; R193-L258 PolarHBondContact NH1-O 2.96Å; F254-L258 HydrophobicContact CD1-CD1 4.3Å; F254-L258 HydrophobicContact CD1-CG 4.43Å; F254-L258 HydrophobicContact CE1-CD1 4.02Å; F254-L258 HydrophobicContact CE1-CD2 4.03Å; F254-L258 HydrophobicContact CE1-CG 4.18Å; F254-L258 HydrophobicContact CZ-CD2 4.25Å; F254-L258 WeakPolarHBondContact O-CG 3.43Å; F254-L258 PolarHBondContact O-N 2.89Å; L258-D262 HydrophobicContact CB-CB 4.42Å; L258-D262 HydrophobicContact CD2-CB 3.85Å; L258-P264 HydrophobicContact CD1-CB 4.01Å; L258-P264 HydrophobicContact CD1-CG 3.96Å
259R98.8Very high98.8Very high179 Ų17954 Ų5468%0.67527%0.268SS*.  trans-67.4164.6166.8-57176.1177.4-1770110.2S257 D261 D262S257-R259 PolarHBondContact O-N 3.06Å; R259-D261 VanDerWaalsContact C-N 3.26Å; R259-D261 PolarHBondContact O-N 2.59Å; R259-D262 HydrophobicContact CB-CB 4.39Å; R259-D262 WeakPolarHBondContact CB-OD2 3.47Å; R259-D262 WeakPolarHBondContact CG-OD2 3.37Å; R259-D262 PolarHBondContact N-OD2 3.07Å; R259-D262 PolarHBondContact O-N 2.99Å
260F98.8Very high98.8Very high20 Ų2054.3 Ų54.39%0.08827%0.266CS..THydrogen-bonded Turntrans-58.8-37.3-175.5172.9-109.4000113.2H164 I165 Y167 E189 S191H164-F260 AromaticContact CE1-CD1 3.93Å; H164-F260 AromaticContact CE1-CE1 3.53Å; H164-F260 AromaticContact CE1-CZ 3.77Å; H164-F260 AromaticContact ND1-CE1 3.6Å; I165-F260 HydrophobicContact CD1-CZ 4.28Å; I165-F260 HydrophobicContact CG1-CE1 4.44Å; I165-F260 HydrophobicContact CG1-CZ 4.06Å; I165-F260 WeakPolarHBondContact O-CE1 3.28Å; Y167-F260 HydrophobicContact CD2-CB 4.15Å; Y167-F260 HydrophobicContact CD2-CD1 4.13Å; Y167-F260 HydrophobicContact CD2-CD2 4.14Å; Y167-F260 AromaticContact CD2-CG 3.87Å; Y167-F260 HydrophobicContact CD2-CG 3.87Å; E189-F260 HydrophobicContact CB-CE2 4.32Å; E189-F260 HydrophobicContact CB-CZ 4.4Å; E189-F260 HydrophobicContact CG-CZ 4.33Å; E189-F260 WeakPolarHBondContact O-CE2 3.35Å; S191-F260 WeakPolarHBondContact CB-O 3.49Å; S191-F260 PolarHBondContact OG-O 3.38Å
261D98.6Very high98.8Very high96 Ų9655.8 Ų55.851%0.51327%0.269SS..THydrogen-bonded Turntrans-107.17-176.362.6-26.3000113.7H164 R192 R259H164-D261 HydrophobicContact CB-CB 4.15Å; R192-D261 PolarHBondContact NH2-O 2.89Å; R259-D261 VanDerWaalsContact C-N 3.26Å; R259-D261 PolarHBondContact O-N 2.59Å
262D98.8Very high98.8Very high58 Ų5856.8 Ų56.831%0.3128%0.275SS..  trans-62.4143.4175.9-81-17.3000111.1R192 L258 R259 P264R192-D262 PolarHBondContact NE-O 3.12Å; R192-D262 VanDerWaalsContact NH2-C 3.26Å; R192-D262 PolarHBondContact NH2-O 3.24Å; L258-D262 HydrophobicContact CB-CB 4.42Å; L258-D262 HydrophobicContact CD2-CB 3.85Å; R259-D262 HydrophobicContact CB-CB 4.39Å; R259-D262 WeakPolarHBondContact CB-OD2 3.47Å; R259-D262 WeakPolarHBondContact CG-OD2 3.37Å; R259-D262 PolarHBondContact N-OD2 3.07Å; R259-D262 PolarHBondContact O-N 2.99Å; D262-P264 WeakPolarHBondContact O-CD 3.5Å
263K98.8Very high98.8Very high158 Ų15856.9 Ų56.969%0.68728%0.275SS*.  trans-84.9113.1164.7-177.6-173.3173.4-169.30107.6
264P98.8Very high98.8Very high3 Ų358.2 Ų58.22%0.01928%0.275CS..  trans-59.9145176.7-19.630000112.1R192 L196 L258 D262 Y266R192-P264 HydrophobicContact CB-CG 3.94Å; L196-P264 HydrophobicContact CD1-CB 3.39Å; L196-P264 HydrophobicContact CD1-CG 3.52Å; L258-P264 HydrophobicContact CD1-CB 4.01Å; L258-P264 HydrophobicContact CD1-CG 3.96Å; D262-P264 WeakPolarHBondContact O-CD 3.5Å; P264-Y266 HydrophobicContact CB-CD1 4.29Å; P264-Y266 HydrophobicContact CB-CE1 3.88Å; P264-Y266 HydrophobicContact CB-CE2 4.28Å; P264-Y266 WeakPolarHBondContact CD-OH 3.23Å; P264-Y266 HydrophobicContact CG-CE1 4.02Å; P264-Y266 VanDerWaalsContact O-CD2 3.24Å; P264-Y266 WeakPolarHBondContact O-CD2 3.38Å; P264-Y266 VanDerWaalsContact O-CE2 3.29Å; P264-Y266 WeakPolarHBondContact O-CE2 3.28Å; P264-Y266 PolarHBondContact O-N 2.86Å; P264-Y266 VanDerWaalsContact O-N 3.17Å
265D98.8Very high98.7Very high86 Ų8659.2 Ų59.246%0.4628%0.282SS..  trans-83.184.2167.1-170-17.4000109.9F254 S267 Y268 L269F254-D265 HydrophobicContact CZ-CB 4.02Å; D265-S267 PolarHBondContact O-N 2.92Å; D265-S267 WeakPolarHBondContact OD1-CB 3.23Å; D265-S267 PolarHBondContact OD1-N 3.34Å; D265-S267 VanDerWaalsContact OD1-N 3.1Å; D265-Y268 VanDerWaalsContact CG-CB 3.44Å; D265-Y268 PolarHBondContact O-N 3.46Å; D265-Y268 PolarHBondContact OD1-N 2.9Å; D265-L269 WeakPolarHBondContact O-CG 3.37Å; D265-L269 PolarHBondContact O-N 3Å
266Y98.9Very high98.7Very high9 Ų959.4 Ų59.44%0.03528%0.284CS..Hα-helixtrans-61.8-28.8178.2-51.1-81.2000112.5I113 E117 H120 L196 P264 R270I113-Y266 HydrophobicContact CG2-CD1 4.37Å; E117-Y266 HydrophobicContact CB-CD1 3.77Å; E117-Y266 HydrophobicContact CB-CD2 4.06Å; E117-Y266 HydrophobicContact CB-CE1 4.15Å; E117-Y266 HydrophobicContact CB-CE2 4.42Å; E117-Y266 HydrophobicContact CB-CG 3.74Å; E117-Y266 HydrophobicContact CG-CD1 4.21Å; E117-Y266 HydrophobicContact CG-CD2 3.55Å; E117-Y266 HydrophobicContact CG-CE2 3.95Å; E117-Y266 HydrophobicContact CG-CG 3.71Å; E117-Y266 WeakPolarHBondContact OE1-CD2 3.35Å; H120-Y266 AromaticContact ND1-CE1 3.51Å; H120-Y266 AromaticContact ND1-CZ 3.5Å; H120-Y266 PolarHBondContact ND1-OH 3.25Å; L196-Y266 HydrophobicContact CD1-CD1 4.2Å; L196-Y266 HydrophobicContact CD1-CE1 3.84Å; L196-Y266 HydrophobicContact CD2-CD1 4.24Å; L196-Y266 HydrophobicContact CD2-CE1 4.21Å; L196-Y266 HydrophobicContact CG-CE1 4.38Å; P264-Y266 HydrophobicContact CB-CD1 4.29Å; P264-Y266 HydrophobicContact CB-CE1 3.88Å; P264-Y266 HydrophobicContact CB-CE2 4.28Å; P264-Y266 WeakPolarHBondContact CD-OH 3.23Å; P264-Y266 HydrophobicContact CG-CE1 4.02Å; P264-Y266 VanDerWaalsContact O-CD2 3.24Å; P264-Y266 WeakPolarHBondContact O-CD2 3.38Å; P264-Y266 VanDerWaalsContact O-CE2 3.29Å; P264-Y266 WeakPolarHBondContact O-CE2 3.28Å; P264-Y266 PolarHBondContact O-N 2.86Å; P264-Y266 VanDerWaalsContact O-N 3.17Å; Y266-R270 PolarHBondContact O-N 2.87Å
267S98.8Very high98.8Very high69 Ų6955.9 Ų55.948%0.48327%0.27SS..Hα-helixtrans-68.8-47.3179.7-168.50000110.5D265 L269 R270 Q271D265-S267 PolarHBondContact O-N 2.92Å; D265-S267 WeakPolarHBondContact OD1-CB 3.23Å; D265-S267 PolarHBondContact OD1-N 3.34Å; D265-S267 VanDerWaalsContact OD1-N 3.1Å; S267-L269 VanDerWaalsContact C-N 3.33Å; S267-L269 PolarHBondContact O-N 3.4Å; S267-R270 PolarHBondContact O-N 2.92Å; S267-Q271 WeakPolarHBondContact O-CB 3.5Å; S267-Q271 PolarHBondContact O-N 2.91Å
268Y98.8Very high98.8Very high91 Ų9157.7 Ų57.736%0.35727%0.269SS..Hα-helixtrans-54.3-49.1172.9169-104.2000111.7T250 F254 D265 R270 Q271 L272T250-Y268 WeakPolarHBondContact CG2-OH 3.35Å; F254-Y268 HydrophobicContact CB-CE1 4.45Å; F254-Y268 AromaticContact CD2-CD1 3.79Å; F254-Y268 HydrophobicContact CD2-CD1 3.79Å; F254-Y268 AromaticContact CD2-CE1 3.58Å; F254-Y268 HydrophobicContact CD2-CE1 3.58Å; F254-Y268 AromaticContact CE2-CD1 3.76Å; F254-Y268 HydrophobicContact CE2-CD1 3.76Å; F254-Y268 HydrophobicContact CE2-CE1 4.01Å; F254-Y268 HydrophobicContact CG-CD1 4.35Å; F254-Y268 HydrophobicContact CG-CE1 4.11Å; F254-Y268 HydrophobicContact CZ-CD1 4.3Å; D265-Y268 VanDerWaalsContact CG-CB 3.44Å; D265-Y268 PolarHBondContact O-N 3.46Å; D265-Y268 PolarHBondContact OD1-N 2.9Å; Y268-R270 PolarHBondContact O-N 3.39Å; Y268-Q271 PolarHBondContact O-N 2.67Å; Y268-Q271 VanDerWaalsContact O-N 3.14Å; Y268-L272 PolarHBondContact O-N 2.86Å
269L98.9Very high98.7Very high0 Ų064.7 Ų64.70%029%0.294CS..Hα-helixtrans-62.6-39.1-178.8-65.8172.8000112.9I113 L196 Y251 F254 D265 S267 L272 F273I113-L269 HydrophobicContact CD1-CB 4.18Å; L196-L269 HydrophobicContact CD1-CD1 3.95Å; L196-L269 HydrophobicContact CD2-CD1 4.45Å; Y251-L269 HydrophobicContact CD2-CB 4.09Å; Y251-L269 HydrophobicContact CD2-CD1 4.49Å; Y251-L269 HydrophobicContact CD2-CD2 3.52Å; Y251-L269 HydrophobicContact CD2-CG 4.23Å; Y251-L269 HydrophobicContact CE2-CB 3.97Å; Y251-L269 HydrophobicContact CE2-CD1 3.98Å; Y251-L269 HydrophobicContact CE2-CD2 3.88Å; Y251-L269 HydrophobicContact CE2-CG 4.16Å; Y251-L269 HydrophobicContact CG-CD2 4.19Å; F254-L269 HydrophobicContact CB-CD2 4.13Å; F254-L269 HydrophobicContact CD1-CD1 4.02Å; F254-L269 HydrophobicContact CD1-CD2 3.57Å; F254-L269 HydrophobicContact CD1-CG 4.06Å; F254-L269 HydrophobicContact CE1-CD1 3.97Å; F254-L269 HydrophobicContact CE1-CD2 4.13Å; F254-L269 HydrophobicContact CE1-CG 4.11Å; F254-L269 HydrophobicContact CG-CD2 3.89Å; D265-L269 WeakPolarHBondContact O-CG 3.37Å; D265-L269 PolarHBondContact O-N 3Å; S267-L269 VanDerWaalsContact C-N 3.33Å; S267-L269 PolarHBondContact O-N 3.4Å; L269-L272 WeakPolarHBondContact O-CB 3.38Å; L269-F273 WeakPolarHBondContact O-CD2 3.2Å
270R98.8Very high98.7Very high28 Ų2861 Ų6111%0.10628%0.284CS..Hα-helixtrans-67.9-43.3172.1-76.3-171.9-68.4-92.5-2.5112D110 I113 S114 E117 Y266 S267 Y268 L272 F273 R274D110-R270 WeakPolarHBondContact OD1-CD 3.43Å; I113-R270 HydrophobicContact CB-CG 4Å; I113-R270 HydrophobicContact CD1-CG 4.05Å; I113-R270 HydrophobicContact CG2-CG 3.83Å; S114-R270 WeakPolarHBondContact OG-CD 3.27Å; S114-R270 PolarHBondContact OG-NH1 2.76Å; E117-R270 IonicContact OE1-NH2 3.95Å; E117-R270 IonicContact OE2-CZ 3.29Å; E117-R270 IonicContact OE2-NH1 2.77Å; E117-R270 PolarHBondContact OE2-NH1 3.23Å; E117-R270 IonicContact OE2-NH2 2.76Å; E117-R270 PolarHBondContact OE2-NH2 2.96Å; Y266-R270 PolarHBondContact O-N 2.87Å; S267-R270 PolarHBondContact O-N 2.92Å; Y268-R270 PolarHBondContact O-N 3.39Å; R270-L272 PolarHBondContact O-N 2.84Å; R270-F273 PolarHBondContact O-N 3.23Å; R270-R274 WeakPolarHBondContact O-CG 3.29Å; R270-R274 PolarHBondContact O-N 2.98Å
271Q98.8Very high98.7Very high77 Ų7763 Ų6336%0.3631%0.311SS..Hα-helixtrans-62.9-35.2-176.9-165.661.239.600111.6S267 Y268 F273 R274 N275S267-Q271 WeakPolarHBondContact O-CB 3.5Å; S267-Q271 PolarHBondContact O-N 2.91Å; Y268-Q271 PolarHBondContact O-N 2.67Å; Y268-Q271 VanDerWaalsContact O-N 3.14Å; Q271-F273 PolarHBondContact O-N 3.36Å; Q271-R274 PolarHBondContact O-N 3.12Å; Q271-N275 PolarHBondContact NE2-OD1 3.1Å; Q271-N275 VanDerWaalsContact O-CB 3.27Å; Q271-N275 WeakPolarHBondContact O-CB 3.46Å; Q271-N275 PolarHBondContact O-N 3.49Å; Q271-N275 PolarHBondContact O-ND2 3.24Å
272L98.7Very high98.7Very high23 Ų2361.2 Ų61.212%0.1230%0.299CS..Hα-helixtrans-52-53.1172.9-172.367.8000111.4E247 T250 Y268 L269 R270 L276E247-L272 HydrophobicContact CB-CD1 4.2Å; E247-L272 HydrophobicContact CB-CD2 4.11Å; E247-L272 HydrophobicContact CB-CG 3.75Å; E247-L272 HydrophobicContact CG-CD1 3.71Å; E247-L272 HydrophobicContact CG-CD2 4.49Å; E247-L272 HydrophobicContact CG-CG 3.63Å; E247-L272 VanDerWaalsContact O-CD2 3.23Å; E247-L272 WeakPolarHBondContact O-CD2 3.18Å; T250-L272 HydrophobicContact CG2-CD1 4.11Å; T250-L272 HydrophobicContact CG2-CD2 4.03Å; Y268-L272 PolarHBondContact O-N 2.86Å; L269-L272 WeakPolarHBondContact O-CB 3.38Å; R270-L272 PolarHBondContact O-N 2.84Å; L272-L276 PolarHBondContact O-N 3.03Å
273F98.9Very high98.6Very high2 Ų262.1 Ų62.11%0.00931%0.309CS..Hα-helixtrans-74.6-34.6179.6-66.2-52.5000113.6L106 A109 I113 L203 E247 F248 Y251 L269 R270 Q271 L276 F277L106-F273 HydrophobicContact CD2-CB 3.85Å; L106-F273 HydrophobicContact CD2-CD1 3.45Å; L106-F273 VanDerWaalsContact CD2-CD1 3.45Å; L106-F273 HydrophobicContact CD2-CE1 4.32Å; L106-F273 HydrophobicContact CD2-CG 3.94Å; A109-F273 HydrophobicContact CB-CD2 3.84Å; A109-F273 HydrophobicContact CB-CE2 4.15Å; A109-F273 HydrophobicContact CB-CG 4.3Å; I113-F273 HydrophobicContact CD1-CD2 4.05Å; I113-F273 HydrophobicContact CD1-CE2 4.21Å; L203-F273 HydrophobicContact CD1-CE2 3.89Å; L203-F273 HydrophobicContact CD1-CZ 3.92Å; E247-F273 HydrophobicContact CB-CD1 4.03Å; E247-F273 HydrophobicContact CB-CE1 3.93Å; F248-F273 AromaticContact CD1-CE1 3.79Å; F248-F273 HydrophobicContact CD1-CE1 3.79Å; F248-F273 HydrophobicContact CD1-CZ 4.07Å; F248-F273 AromaticContact CE1-CE1 3.76Å; F248-F273 HydrophobicContact CE1-CE1 3.76Å; F248-F273 HydrophobicContact CE1-CZ 4.21Å; F248-F273 HydrophobicContact CG-CE1 4.24Å; F248-F273 HydrophobicContact CZ-CE1 4.19Å; Y251-F273 HydrophobicContact CD2-CD2 4.5Å; Y251-F273 AromaticContact CD2-CE2 3.44Å; Y251-F273 HydrophobicContact CD2-CE2 3.44Å; Y251-F273 VanDerWaalsContact CD2-CE2 3.44Å; Y251-F273 AromaticContact CD2-CZ 3.85Å; Y251-F273 HydrophobicContact CD2-CZ 3.85Å; Y251-F273 HydrophobicContact CE2-CE2 4.01Å; Y251-F273 HydrophobicContact CG-CE2 4.04Å; Y251-F273 AromaticContact CG-CZ 3.95Å; Y251-F273 HydrophobicContact CG-CZ 3.95Å; L269-F273 WeakPolarHBondContact O-CD2 3.2Å; R270-F273 PolarHBondContact O-N 3.23Å; Q271-F273 PolarHBondContact O-N 3.36Å; F273-L276 PolarHBondContact O-N 3.49Å; F273-F277 WeakPolarHBondContact O-CB 3.34Å; F273-F277 PolarHBondContact O-N 3.02Å
274R98.7Very high98.4Very high96 Ų9659 Ų5936%0.36229%0.294SS..Hα-helixtrans-63.9-42.3174.8-71.5174.2-178.4-173.2-5.8112.1D110 R270 Q271 F277 H278D110-R274 IonicContact OD1-CZ 3.96Å; D110-R274 IonicContact OD1-NE 3.93Å; D110-R274 PolarHBondContact OD1-NE 2.64Å; D110-R274 IonicContact OD1-NH2 2.96Å; D110-R274 PolarHBondContact OD1-NH2 3.46Å; D110-R274 IonicContact OD2-NE 3.4Å; D110-R274 IonicContact OD2-NH2 2.87Å; D110-R274 PolarHBondContact OD2-NH2 2.95Å; R270-R274 WeakPolarHBondContact O-CG 3.29Å; R270-R274 PolarHBondContact O-N 2.98Å; Q271-R274 PolarHBondContact O-N 3.12Å; R274-F277 WeakPolarHBondContact O-CB 3.47Å; R274-F277 PolarHBondContact O-N 2.78Å; R274-H278 PolarHBondContact O-N 2.9Å
275N98.7Very high98.3Very high67 Ų6762.3 Ų62.336%0.35831%0.311SS..Hα-helixtrans-61.3-46.3175.8-75-13.1000111Q271 F277 H278 R279Q271-N275 PolarHBondContact NE2-OD1 3.1Å; Q271-N275 VanDerWaalsContact O-CB 3.27Å; Q271-N275 WeakPolarHBondContact O-CB 3.46Å; Q271-N275 PolarHBondContact O-N 3.49Å; Q271-N275 PolarHBondContact O-ND2 3.24Å; N275-F277 VanDerWaalsContact C-N 3.34Å; N275-F277 PolarHBondContact O-N 3.04Å; N275-H278 PolarHBondContact O-N 3.28Å; N275-R279 WeakPolarHBondContact O-CG 3.06Å; N275-R279 PolarHBondContact O-N 3.27Å
276L98.8Very high98.2Very high5 Ų562.7 Ų62.73%0.02631%0.307CS..Hα-helixtrans-60-44.3174.1174.564.1000111.7L106 P245 E247 L272 F273 H278 R279 Q280L106-L276 HydrophobicContact CD1-CD2 3.99Å; L106-L276 HydrophobicContact CD1-CG 3.99Å; L106-L276 HydrophobicContact CD2-CD2 3.9Å; P245-L276 HydrophobicContact CB-CD1 4.02Å; P245-L276 HydrophobicContact CB-CD2 3.5Å; P245-L276 VanDerWaalsContact CB-CD2 3.5Å; P245-L276 HydrophobicContact CB-CG 4.42Å; P245-L276 HydrophobicContact CG-CD1 4.3Å; P245-L276 HydrophobicContact CG-CD2 3.85Å; E247-L276 HydrophobicContact CB-CD2 4.11Å; E247-L276 HydrophobicContact CG-CB 3.92Å; E247-L276 HydrophobicContact CG-CD2 4.03Å; E247-L276 HydrophobicContact CG-CG 4.5Å; L272-L276 PolarHBondContact O-N 3.03Å; F273-L276 PolarHBondContact O-N 3.49Å; L276-H278 VanDerWaalsContact C-N 3.33Å; L276-H278 PolarHBondContact O-N 3.31Å; L276-R279 PolarHBondContact O-N 2.93Å; L276-Q280 HydrophobicContact CD1-CG 3.94Å; L276-Q280 HydrophobicContact CG-CG 4.38Å; L276-Q280 VanDerWaalsContact O-CG 3.28Å; L276-Q280 WeakPolarHBondContact O-CG 3.32Å; L276-Q280 PolarHBondContact O-N 2.94Å
277F98.7Very high98.1Very high5 Ų564.6 Ų64.62%0.02232%0.32CS..Hα-helixtrans-56.2-46.4178.5-170.1-88.5000111.9K103 L106 L107 F273 R274 N275 Q280 F282 S283 Y284K103-F277 HydrophobicContact CG-CE2 3.74Å; K103-F277 HydrophobicContact CG-CZ 4.15Å; L106-F277 HydrophobicContact CB-CD2 3.78Å; L106-F277 HydrophobicContact CD1-CB 4.1Å; L106-F277 HydrophobicContact CD1-CD2 4.06Å; L107-F277 HydrophobicContact CD2-CE2 3.89Å; L107-F277 HydrophobicContact CD2-CZ 3.89Å; L107-F277 HydrophobicContact CG-CE2 3.81Å; L107-F277 HydrophobicContact CG-CZ 4.22Å; F273-F277 WeakPolarHBondContact O-CB 3.34Å; F273-F277 PolarHBondContact O-N 3.02Å; R274-F277 WeakPolarHBondContact O-CB 3.47Å; R274-F277 PolarHBondContact O-N 2.78Å; N275-F277 VanDerWaalsContact C-N 3.34Å; N275-F277 PolarHBondContact O-N 3.04Å; F277-Q280 PolarHBondContact O-N 2.61Å; F277-F282 HydrophobicContact CD1-CB 3.88Å; F277-F282 HydrophobicContact CD2-CB 4Å; F277-F282 AromaticContact CD2-CD2 3.8Å; F277-F282 HydrophobicContact CD2-CD2 3.8Å; F277-F282 HydrophobicContact CD2-CG 4.4Å; F277-F282 HydrophobicContact CE1-CB 3.53Å; F277-F282 WeakPolarHBondContact CE1-O 3.36Å; F277-F282 HydrophobicContact CE2-CB 3.66Å; F277-F282 AromaticContact CE2-CD2 3.99Å; F277-F282 HydrophobicContact CE2-CD2 3.99Å; F277-F282 HydrophobicContact CE2-CG 4.24Å; F277-F282 HydrophobicContact CG-CB 4.11Å; F277-F282 HydrophobicContact CG-CD2 4.26Å; F277-F282 HydrophobicContact CZ-CB 3.42Å; F277-F282 VanDerWaalsContact CZ-CB 3.42Å; F277-F282 HydrophobicContact CZ-CG 4.44Å; F277-F282 PolarHBondContact O-N 3.46Å; F277-S283 WeakPolarHBondContact CZ-O 3.37Å; F277-Y284 HydrophobicContact CD1-CD2 4.42Å; F277-Y284 AromaticContact CE1-CD2 3.96Å; F277-Y284 HydrophobicContact CE1-CD2 3.96Å; F277-Y284 HydrophobicContact CE1-CG 4.46Å; F277-Y284 HydrophobicContact CZ-CD2 4.19Å
278H98.4Very high98.1Very high126 Ų12661.3 Ų61.358%0.58330%0.297SS*.Hα-helixtrans-67.1-42.5176.7-66.3171.3000112.6R274 N275 L276 Q280 G281R274-H278 PolarHBondContact O-N 2.9Å; N275-H278 PolarHBondContact O-N 3.28Å; L276-H278 VanDerWaalsContact C-N 3.33Å; L276-H278 PolarHBondContact O-N 3.31Å; H278-Q280 PolarHBondContact O-N 3.17Å; H278-G281 PolarHBondContact O-N 3.39Å
279R98.5Very high98Very high161 Ų16158.6 Ų58.661%0.60829%0.288SS*.Hα-helixtrans-64.3-29.1178.2-72-171-48.8-125.2-1.7113.3E247 N275 L276 G281E247-R279 IonicContact OE1-CZ 2.83Å; E247-R279 IonicContact OE1-NH2 2.8Å; E247-R279 PolarHBondContact OE1-NH2 3.33Å; E247-R279 IonicContact OE2-NH2 3.97Å; N275-R279 WeakPolarHBondContact O-CG 3.06Å; N275-R279 PolarHBondContact O-N 3.27Å; L276-R279 PolarHBondContact O-N 2.93Å; R279-G281 PolarHBondContact O-N 2.98Å
280Q98.4Very high97.9Very high100 Ų10058.8 Ų58.847%0.46729%0.289SS..THydrogen-bonded Turntrans-77.6-2.8173.3-66.4-67.5-26.200112.9L102 L276 F277 H278 F282L102-Q280 HydrophobicContact CD2-CG 4.18Å; L276-Q280 HydrophobicContact CD1-CG 3.94Å; L276-Q280 HydrophobicContact CG-CG 4.38Å; L276-Q280 VanDerWaalsContact O-CG 3.28Å; L276-Q280 WeakPolarHBondContact O-CG 3.32Å; L276-Q280 PolarHBondContact O-N 2.94Å; F277-Q280 PolarHBondContact O-N 2.61Å; H278-Q280 PolarHBondContact O-N 3.17Å; Q280-F282 VanDerWaalsContact C-N 3.27Å; Q280-F282 HydrophobicContact CB-CD1 4.36Å; Q280-F282 HydrophobicContact CB-CD2 3.68Å; Q280-F282 HydrophobicContact CB-CE1 4.17Å; Q280-F282 HydrophobicContact CB-CE2 3.45Å; Q280-F282 VanDerWaalsContact CB-CE2 3.45Å; Q280-F282 HydrophobicContact CB-CG 4.13Å; Q280-F282 HydrophobicContact CB-CZ 3.71Å; Q280-F282 HydrophobicContact CG-CE2 3.95Å; Q280-F282 HydrophobicContact CG-CZ 4.29Å; Q280-F282 PolarHBondContact O-N 3.23Å
281G98.2Very high97.7Very high62 Ų6259.4 Ų59.464%0.63929%0.294SS*.THydrogen-bonded Turntrans69.521.9179.700000113.9H278 R279H278-G281 PolarHBondContact O-N 3.39Å; R279-G281 PolarHBondContact O-N 2.98Å
282F98.5Very high97.2Very high60 Ų6061.6 Ų61.626%0.26331%0.306SS..  trans-76.3140.9179.5-61.7-37.6000111.9L102 K103 L106 F277 Q280L102-F282 HydrophobicContact CB-CE2 4.36Å; L102-F282 HydrophobicContact CB-CZ 4.43Å; L102-F282 HydrophobicContact CD2-CE2 4.26Å; L102-F282 HydrophobicContact CG-CE2 4.16Å; K103-F282 HydrophobicContact CB-CD1 4.15Å; K103-F282 HydrophobicContact CB-CD2 3.88Å; K103-F282 HydrophobicContact CB-CE1 4.21Å; K103-F282 HydrophobicContact CB-CE2 3.94Å; K103-F282 HydrophobicContact CB-CG 4Å; K103-F282 HydrophobicContact CB-CZ 4.11Å; K103-F282 HydrophobicContact CD-CB 4.35Å; K103-F282 HydrophobicContact CD-CD1 4.39Å; K103-F282 HydrophobicContact CD-CG 4.36Å; K103-F282 HydrophobicContact CG-CB 4.14Å; K103-F282 HydrophobicContact CG-CD1 4.35Å; K103-F282 HydrophobicContact CG-CD2 4.16Å; K103-F282 HydrophobicContact CG-CG 3.97Å; L106-F282 HydrophobicContact CD1-CD2 4.46Å; L106-F282 HydrophobicContact CD1-CE2 4.32Å; F277-F282 HydrophobicContact CD1-CB 3.88Å; F277-F282 HydrophobicContact CD2-CB 4Å; F277-F282 AromaticContact CD2-CD2 3.8Å; F277-F282 HydrophobicContact CD2-CD2 3.8Å; F277-F282 HydrophobicContact CD2-CG 4.4Å; F277-F282 HydrophobicContact CE1-CB 3.53Å; F277-F282 WeakPolarHBondContact CE1-O 3.36Å; F277-F282 HydrophobicContact CE2-CB 3.66Å; F277-F282 AromaticContact CE2-CD2 3.99Å; F277-F282 HydrophobicContact CE2-CD2 3.99Å; F277-F282 HydrophobicContact CE2-CG 4.24Å; F277-F282 HydrophobicContact CG-CB 4.11Å; F277-F282 HydrophobicContact CG-CD2 4.26Å; F277-F282 HydrophobicContact CZ-CB 3.42Å; F277-F282 VanDerWaalsContact CZ-CB 3.42Å; F277-F282 HydrophobicContact CZ-CG 4.44Å; F277-F282 PolarHBondContact O-N 3.46Å; Q280-F282 VanDerWaalsContact C-N 3.27Å; Q280-F282 HydrophobicContact CB-CD1 4.36Å; Q280-F282 HydrophobicContact CB-CD2 3.68Å; Q280-F282 HydrophobicContact CB-CE1 4.17Å; Q280-F282 HydrophobicContact CB-CE2 3.45Å; Q280-F282 VanDerWaalsContact CB-CE2 3.45Å; Q280-F282 HydrophobicContact CB-CG 4.13Å; Q280-F282 HydrophobicContact CB-CZ 3.71Å; Q280-F282 HydrophobicContact CG-CE2 3.95Å; Q280-F282 HydrophobicContact CG-CZ 4.29Å; Q280-F282 PolarHBondContact O-N 3.23Å
283S97.4Very high96.4Very high76 Ų7664.4 Ų64.453%0.53132%0.321SS..  trans-81.9132.1171.4-57.20000111.3K103 F277 D285K103-S283 WeakPolarHBondContact CE-O 3.47Å; K103-S283 PolarHBondContact NZ-O 2.98Å; F277-S283 WeakPolarHBondContact CZ-O 3.37Å; S283-D285 PolarHBondContact O-N 3.28Å
284Y95.1Very high95.1Very high93 Ų9367.8 Ų67.837%0.36534%0.335SS..  trans-8367175.5-158-87.1000110.5L107 D110 F277 Y286L107-Y284 HydrophobicContact CD2-CD2 3.65Å; L107-Y284 HydrophobicContact CD2-CE2 3.58Å; L107-Y284 HydrophobicContact CD2-CG 4.26Å; D110-Y284 PolarHBondContact OD2-OH 3.38Å; D110-Y284 VanDerWaalsContact OD2-OH 3.05Å; F277-Y284 HydrophobicContact CD1-CD2 4.42Å; F277-Y284 AromaticContact CE1-CD2 3.96Å; F277-Y284 HydrophobicContact CE1-CD2 3.96Å; F277-Y284 HydrophobicContact CE1-CG 4.46Å; F277-Y284 HydrophobicContact CZ-CD2 4.19Å; Y284-Y286 HydrophobicContact CD1-CE1 4.3Å; Y284-Y286 HydrophobicContact CD1-CE2 4.32Å; Y284-Y286 HydrophobicContact CE1-CD1 4.28Å; Y284-Y286 AromaticContact CE1-CE1 3.49Å; Y284-Y286 HydrophobicContact CE1-CE1 3.49Å; Y284-Y286 VanDerWaalsContact CE1-CE1 3.49Å; Y284-Y286 HydrophobicContact CE1-CE2 4.14Å; Y284-Y286 AromaticContact CE1-CZ 3.42Å; Y284-Y286 VanDerWaalsContact CE1-CZ 3.42Å; Y284-Y286 WeakPolarHBondContact CE1-OH 3.43Å
285D96.4Very high93.3Very high72 Ų7268.6 Ų68.639%0.38534%0.342SS..SBendtrans-103.61.5-172.455.614.6000113.4K103 S283 V287K103-D285 WeakPolarHBondContact CE-OD1 3.44Å; K103-D285 IonicContact NZ-OD1 2.61Å; K103-D285 PolarHBondContact NZ-OD1 3.27Å; K103-D285 IonicContact NZ-OD2 3.88Å; K103-D285 PolarHBondContact NZ-OD2 2.77Å; S283-D285 PolarHBondContact O-N 3.28Å; D285-V287 HydrophobicContact CB-CG2 4.06Å; D285-V287 PolarHBondContact O-N 3.43Å; D285-V287 VanDerWaalsContact OD1-CB 3.31Å; D285-V287 WeakPolarHBondContact OD1-CB 3.4Å; D285-V287 PolarHBondContact OD1-N 2.88Å
286Y95.8Very high91.1Very high94 Ų9467 Ų6737%0.36934%0.342SS..  trans55.825.8-171.9-55-78.2000114.5N143 Y284 F288N143-Y286 HydrophobicContact CB-CD1 4.16Å; N143-Y286 HydrophobicContact CB-CG 3.98Å; Y284-Y286 HydrophobicContact CD1-CE1 4.3Å; Y284-Y286 HydrophobicContact CD1-CE2 4.32Å; Y284-Y286 HydrophobicContact CE1-CD1 4.28Å; Y284-Y286 AromaticContact CE1-CE1 3.49Å; Y284-Y286 HydrophobicContact CE1-CE1 3.49Å; Y284-Y286 VanDerWaalsContact CE1-CE1 3.49Å; Y284-Y286 HydrophobicContact CE1-CE2 4.14Å; Y284-Y286 AromaticContact CE1-CZ 3.42Å; Y284-Y286 VanDerWaalsContact CE1-CZ 3.42Å; Y284-Y286 WeakPolarHBondContact CE1-OH 3.43Å; Y286-F288 VanDerWaalsContact O-CD2 3.28Å; Y286-F288 WeakPolarHBondContact O-CD2 3.39Å; Y286-F288 WeakPolarHBondContact O-CE2 3.5Å; Y286-F288 PolarHBondContact O-N 2.94Å
287V97.1Very high88.9Confident49 Ų4969.8 Ų69.830%0.29737%0.365SS..  trans-89.6105.9173.4-178.50000108.8D285 N291 M292D285-V287 HydrophobicContact CB-CG2 4.06Å; D285-V287 PolarHBondContact O-N 3.43Å; D285-V287 VanDerWaalsContact OD1-CB 3.31Å; D285-V287 WeakPolarHBondContact OD1-CB 3.4Å; D285-V287 PolarHBondContact OD1-N 2.88Å; V287-N291 HydrophobicContact CG1-CB 4.17Å; V287-M292 HydrophobicContact CG1-CG 4.14Å; V287-M292 HydrophobicContact CG1-SD 3.73Å
288F98Very high86.7Confident1 Ų171.9 Ų71.90%0.00438%0.38CS..  trans-91.7166.6174-54.2-88.4000111.2T104 L107 L108 M136 N143 Y286 W290 N291T104-F288 HydrophobicContact CG2-CB 4.48Å; T104-F288 HydrophobicContact CG2-CD1 4.17Å; L107-F288 HydrophobicContact CB-CD1 4.18Å; L107-F288 HydrophobicContact CB-CE1 3.57Å; L107-F288 HydrophobicContact CB-CZ 4.31Å; L107-F288 HydrophobicContact CD1-CD1 4.15Å; L107-F288 HydrophobicContact CD1-CE1 4.1Å; L107-F288 HydrophobicContact CG-CE1 4.48Å; L108-F288 HydrophobicContact CD2-CE1 3.98Å; L108-F288 HydrophobicContact CG-CD1 4.44Å; L108-F288 HydrophobicContact CG-CE1 4.12Å; M136-F288 HydrophobicContact CE-CE2 3.94Å; M136-F288 HydrophobicContact CE-CZ 4.19Å; N143-F288 HydrophobicContact CB-CE2 4.45Å; Y286-F288 VanDerWaalsContact O-CD2 3.28Å; Y286-F288 WeakPolarHBondContact O-CD2 3.39Å; Y286-F288 WeakPolarHBondContact O-CE2 3.5Å; Y286-F288 PolarHBondContact O-N 2.94Å; F288-W290 VanDerWaalsContact C-N 3.28Å; F288-W290 HydrophobicContact CB-CD2 3.68Å; F288-W290 HydrophobicContact CB-CE3 3.89Å; F288-W290 HydrophobicContact CB-CG 4.42Å; F288-W290 HydrophobicContact CB-CH2 3.55Å; F288-W290 HydrophobicContact CB-CZ2 3.32Å; F288-W290 HydrophobicContact CB-CZ3 3.82Å; F288-W290 AromaticContact CD1-CH2 3.5Å; F288-W290 HydrophobicContact CD1-CH2 3.5Å; F288-W290 AromaticContact CD1-CZ2 3.68Å; F288-W290 HydrophobicContact CD1-CZ2 3.68Å; F288-W290 HydrophobicContact CD1-CZ3 4.3Å; F288-W290 AromaticContact CD2-CE2 3.94Å; F288-W290 HydrophobicContact CD2-CH2 4.18Å; F288-W290 AromaticContact CD2-CZ2 3.46Å; F288-W290 HydrophobicContact CD2-CZ2 3.46Å; F288-W290 VanDerWaalsContact CD2-CZ2 3.46Å; F288-W290 HydrophobicContact CE1-CH2 4.18Å; F288-W290 HydrophobicContact CE1-CZ2 4.29Å; F288-W290 HydrophobicContact CE2-CZ2 4.13Å; F288-W290 HydrophobicContact CG-CD2 4.5Å; F288-W290 AromaticContact CG-CE2 3.75Å; F288-W290 AromaticContact CG-CH2 3.49Å; F288-W290 HydrophobicContact CG-CH2 3.49Å; F288-W290 VanDerWaalsContact CG-CH2 3.49Å; F288-W290 AromaticContact CG-CZ2 3.2Å; F288-W290 HydrophobicContact CG-CZ2 3.2Å; F288-W290 HydrophobicContact CG-CZ3 4.25Å; F288-W290 HydrophobicContact CZ-CZ2 4.5Å; F288-W290 PolarHBondContact O-N 3.11Å; F288-N291 WeakPolarHBondContact CB-OD1 3.4Å; F288-N291 WeakPolarHBondContact CD2-OD1 3.28Å; F288-N291 PolarHBondContact N-OD1 3.26Å; F288-N291 VanDerWaalsContact O-CB 3.29Å; F288-N291 WeakPolarHBondContact O-CB 3.31Å; F288-N291 PolarHBondContact O-N 3.05Å; F288-N291 PolarHBondContact O-OD1 2.92Å
289D98Very high84.4Confident33 Ų3374.6 Ų74.618%0.17639%0.385CS..Hα-helixtrans-57.5-40.1-175.9-58-24000112.8F100 S101 T104 N291 M292 L293F100-D289 WeakPolarHBondContact CA-OD2 3.24Å; S101-D289 VanDerWaalsContact CB-OD1 3.29Å; S101-D289 WeakPolarHBondContact CB-OD1 3.06Å; S101-D289 PolarHBondContact N-OD2 3.36Å; S101-D289 PolarHBondContact OG-OD1 2.89Å; S101-D289 PolarHBondContact OG-OD2 3.34Å; T104-D289 WeakPolarHBondContact CB-OD2 3.43Å; T104-D289 PolarHBondContact OG1-N 3.27Å; T104-D289 PolarHBondContact OG1-OD1 3.4Å; T104-D289 PolarHBondContact OG1-OD2 2.88Å; D289-N291 PolarHBondContact O-N 3.44Å; D289-M292 PolarHBondContact O-N 3.06Å; D289-M292 VanDerWaalsContact O-N 3.14Å; D289-L293 PolarHBondContact O-N 3.49Å
290W97.2Very high82.3Confident5 Ų571.8 Ų71.82%0.01939%0.386CS..Hα-helixtrans-68.2-20.5178.55879000113.3L89 L92 F95 F100 T104 L108 M136 F288 K294L89-W290 HydrophobicContact CD2-CH2 4.38Å; L92-W290 HydrophobicContact CB-CD2 4.31Å; L92-W290 HydrophobicContact CB-CE3 3.89Å; L92-W290 HydrophobicContact CB-CZ3 4.22Å; L92-W290 HydrophobicContact CD1-CD2 3.89Å; L92-W290 HydrophobicContact CD1-CE3 4.04Å; L92-W290 HydrophobicContact CD1-CH2 4.03Å; L92-W290 HydrophobicContact CD1-CZ2 3.87Å; L92-W290 HydrophobicContact CD1-CZ3 4.11Å; L92-W290 HydrophobicContact CD2-CB 3.98Å; L92-W290 HydrophobicContact CD2-CD2 3.89Å; L92-W290 HydrophobicContact CD2-CE3 4.32Å; L92-W290 HydrophobicContact CD2-CG 3.74Å; L92-W290 HydrophobicContact CG-CD2 4.26Å; L92-W290 HydrophobicContact CG-CE3 4.31Å; F95-W290 HydrophobicContact CD1-CB 3.9Å; F95-W290 HydrophobicContact CE1-CB 4.05Å; F100-W290 AromaticContact CE1-CE3 3.94Å; F100-W290 HydrophobicContact CE1-CE3 3.94Å; F100-W290 AromaticContact CE1-CZ3 3.91Å; F100-W290 HydrophobicContact CE1-CZ3 3.91Å; F100-W290 HydrophobicContact CE2-CZ3 4.48Å; F100-W290 HydrophobicContact CZ-CE3 4.2Å; F100-W290 AromaticContact CZ-CZ3 3.81Å; F100-W290 HydrophobicContact CZ-CZ3 3.81Å; T104-W290 HydrophobicContact CG2-CH2 4.36Å; T104-W290 HydrophobicContact CG2-CZ3 3.84Å; L108-W290 HydrophobicContact CD1-CH2 4.34Å; L108-W290 HydrophobicContact CD2-CH2 4.18Å; M136-W290 HydrophobicContact CE-CZ2 4.08Å; M136-W290 HydrophobicContact CG-CZ2 4.02Å; M136-W290 HydrophobicContact SD-CH2 4.4Å; M136-W290 HydrophobicContact SD-CZ2 3.96Å; F288-W290 VanDerWaalsContact C-N 3.28Å; F288-W290 HydrophobicContact CB-CD2 3.68Å; F288-W290 HydrophobicContact CB-CE3 3.89Å; F288-W290 HydrophobicContact CB-CG 4.42Å; F288-W290 HydrophobicContact CB-CH2 3.55Å; F288-W290 HydrophobicContact CB-CZ2 3.32Å; F288-W290 HydrophobicContact CB-CZ3 3.82Å; F288-W290 AromaticContact CD1-CH2 3.5Å; F288-W290 HydrophobicContact CD1-CH2 3.5Å; F288-W290 AromaticContact CD1-CZ2 3.68Å; F288-W290 HydrophobicContact CD1-CZ2 3.68Å; F288-W290 HydrophobicContact CD1-CZ3 4.3Å; F288-W290 AromaticContact CD2-CE2 3.94Å; F288-W290 HydrophobicContact CD2-CH2 4.18Å; F288-W290 AromaticContact CD2-CZ2 3.46Å; F288-W290 HydrophobicContact CD2-CZ2 3.46Å; F288-W290 VanDerWaalsContact CD2-CZ2 3.46Å; F288-W290 HydrophobicContact CE1-CH2 4.18Å; F288-W290 HydrophobicContact CE1-CZ2 4.29Å; F288-W290 HydrophobicContact CE2-CZ2 4.13Å; F288-W290 HydrophobicContact CG-CD2 4.5Å; F288-W290 AromaticContact CG-CE2 3.75Å; F288-W290 AromaticContact CG-CH2 3.49Å; F288-W290 HydrophobicContact CG-CH2 3.49Å; F288-W290 VanDerWaalsContact CG-CH2 3.49Å; F288-W290 AromaticContact CG-CZ2 3.2Å; F288-W290 HydrophobicContact CG-CZ2 3.2Å; F288-W290 HydrophobicContact CG-CZ3 4.25Å; F288-W290 HydrophobicContact CZ-CZ2 4.5Å; F288-W290 PolarHBondContact O-N 3.11Å; W290-K294 VanDerWaalsContact O-CG 3.26Å; W290-K294 WeakPolarHBondContact O-CG 3.42Å; W290-K294 PolarHBondContact O-N 3.15Å
291N94.2Very high80.3Confident41 Ų4169.7 Ų69.722%0.21939%0.386CS..Hα-helixtrans-67.2-43.6172.6-61.6110.1000109.7V287 F288 D289 L293 K294 F295V287-N291 HydrophobicContact CG1-CB 4.17Å; F288-N291 WeakPolarHBondContact CB-OD1 3.4Å; F288-N291 WeakPolarHBondContact CD2-OD1 3.28Å; F288-N291 PolarHBondContact N-OD1 3.26Å; F288-N291 VanDerWaalsContact O-CB 3.29Å; F288-N291 WeakPolarHBondContact O-CB 3.31Å; F288-N291 PolarHBondContact O-N 3.05Å; F288-N291 PolarHBondContact O-OD1 2.92Å; D289-N291 PolarHBondContact O-N 3.44Å; N291-L293 PolarHBondContact O-N 2.73Å; N291-K294 PolarHBondContact O-N 3.18Å; N291-F295 HydrophobicContact CB-CE2 4.5Å; N291-F295 WeakPolarHBondContact O-CD2 3.45Å; N291-F295 PolarHBondContact O-N 2.59Å
292M88Confident78.5Confident123 Ų12370.3 Ų70.361%0.60637%0.372SS*.Hα-helixtrans-64.5-40.9180-59-59.1-73.300112.2V287 D289 K294 F295 G296V287-M292 HydrophobicContact CG1-CG 4.14Å; V287-M292 HydrophobicContact CG1-SD 3.73Å; D289-M292 PolarHBondContact O-N 3.06Å; D289-M292 VanDerWaalsContact O-N 3.14Å; M292-K294 PolarHBondContact O-N 3.31Å; M292-F295 PolarHBondContact O-N 3.4Å; M292-G296 PolarHBondContact O-N 2.98Å
293L82.3Confident76.8Confident82 Ų8271.6 Ų71.643%0.42938%0.382SS..Hα-helixtrans-66.1-36177.6-65.9173.7000112.7F95 C96 D289 N291 A297F95-L293 HydrophobicContact CD1-CD1 4.2Å; F95-L293 HydrophobicContact CE1-CB 3.77Å; F95-L293 HydrophobicContact CE1-CD1 3.97Å; F95-L293 HydrophobicContact CZ-CB 4.06Å; C96-L293 HydrophobicContact CB-CD1 4.4Å; D289-L293 PolarHBondContact O-N 3.49Å; N291-L293 PolarHBondContact O-N 2.73Å; L293-A297 WeakPolarHBondContact O-CB 3.48Å; L293-A297 PolarHBondContact O-N 3.25Å
294K71.8Confident75.4Confident72 Ų7269.1 Ų69.131%0.31337%0.369SS..Hα-helixtrans-67.7-36.9176.4-74.6174.9-176.4-179.40112.4F95 W290 N291 M292 S298F95-K294 HydrophobicContact CE1-CG 4.48Å; W290-K294 VanDerWaalsContact O-CG 3.26Å; W290-K294 WeakPolarHBondContact O-CG 3.42Å; W290-K294 PolarHBondContact O-N 3.15Å; N291-K294 PolarHBondContact O-N 3.18Å; M292-K294 PolarHBondContact O-N 3.31Å; K294-S298 PolarHBondContact O-N 3.26Å
295F60.6Low74.2Confident114 Ų11471.3 Ų71.350%0.538%0.382SS..Hα-helixtrans-76.6-36.7176.3-69-65.9000112.6N291 M292 S298 R299N291-F295 HydrophobicContact CB-CE2 4.5Å; N291-F295 WeakPolarHBondContact O-CD2 3.45Å; N291-F295 PolarHBondContact O-N 2.59Å; M292-F295 PolarHBondContact O-N 3.4Å; F295-S298 PolarHBondContact O-N 3.34Å; F295-R299 PolarHBondContact O-N 2.86Å
296G52.3Low73Confident34 Ų3475.1 Ų75.135%0.35139%0.391SS..Hα-helixtrans-60.7-49.2174.300000112.4M292 S298 R299 T300M292-G296 PolarHBondContact O-N 2.98Å; G296-S298 VanDerWaalsContact C-N 3.28Å; G296-S298 PolarHBondContact O-N 3.19Å; G296-R299 PolarHBondContact O-N 3.1Å; G296-T300 PolarHBondContact O-N 3.5Å; G296-T300 VanDerWaalsContact O-N 3.15Å; G296-T300 PolarHBondContact O-OG1 3Å
297A52.8Low71.8Confident63 Ų6376.7 Ų76.752%0.52140%0.402SS..Hα-helixtrans-64.2-29.7179.100000113.7L293 A301L293-A297 WeakPolarHBondContact O-CB 3.48Å; L293-A297 PolarHBondContact O-N 3.25Å; A297-A301 WeakPolarHBondContact O-CB 3.32Å; A297-A301 PolarHBondContact O-N 3.33Å
298S52.1Low70.8Confident49 Ų4982.8 Ų82.834%0.34342%0.42SS..Hα-helixtrans-70.7-37175.6-163.50000112.1K294 F295 G296 E302K294-S298 PolarHBondContact O-N 3.26Å; F295-S298 PolarHBondContact O-N 3.34Å; G296-S298 VanDerWaalsContact C-N 3.28Å; G296-S298 PolarHBondContact O-N 3.19Å; S298-E302 WeakPolarHBondContact O-CG 3.39Å; S298-E302 PolarHBondContact O-N 3.5Å; S298-E302 VanDerWaalsContact O-N 3.1Å
299R50.4Low69.7Low182 Ų18287.6 Ų87.669%0.68744%0.442SS*.Hα-helixtrans-69.2-44.8177.2-71.9-178.9177.4-177.7-1.3111.6F295 G296 A301 E302 D303F295-R299 PolarHBondContact O-N 2.86Å; G296-R299 PolarHBondContact O-N 3.1Å; R299-A301 VanDerWaalsContact C-N 3.28Å; R299-A301 PolarHBondContact O-N 3.46Å; R299-E302 PolarHBondContact O-N 2.93Å; R299-D303 WeakPolarHBondContact O-CB 3.48Å; R299-D303 PolarHBondContact O-N 3.35Å
300T54.8Low68.5Low103 Ų10394.6 Ų94.663%0.63247%0.466SS*.Hα-helixtrans-63.9-34177.9-34.70000112.4G296 G304G296-T300 PolarHBondContact O-N 3.5Å; G296-T300 VanDerWaalsContact O-N 3.15Å; G296-T300 PolarHBondContact O-OG1 3Å; T300-G304 PolarHBondContact O-N 3.31Å
301A56.4Low67.4Low56 Ų56100.1 Ų100.146%0.46349%0.492SS..Hα-helixtrans-69.5-41174.400000112.5A297 R299 E305A297-A301 WeakPolarHBondContact O-CB 3.32Å; A297-A301 PolarHBondContact O-N 3.33Å; R299-A301 VanDerWaalsContact C-N 3.28Å; R299-A301 PolarHBondContact O-N 3.46Å; A301-E305 PolarHBondContact O-N 3.47Å
302E59.9Low66.5Low74 Ų74107.6 Ų107.635%0.34652%0.517SS..Hα-helixtrans-68.2-37.1176-74.4174.4-177.200112S298 R299 E305 R306 R377S298-E302 WeakPolarHBondContact O-CG 3.39Å; S298-E302 PolarHBondContact O-N 3.5Å; S298-E302 VanDerWaalsContact O-N 3.1Å; R299-E302 PolarHBondContact O-N 2.93Å; E302-E305 PolarHBondContact O-N 3.46Å; E302-R306 WeakPolarHBondContact O-CB 3.37Å; E302-R306 VanDerWaalsContact O-CG 3.23Å; E302-R306 WeakPolarHBondContact O-CG 3.25Å; E302-R306 PolarHBondContact O-N 3.28Å; E302-R377 IonicContact OE1-NH1 3.15Å
303D62.5Low65.5Low88 Ų88109.4 Ų109.447%0.47152%0.517SS..Hα-helixtrans-70.3-40.6176.1-69.3-28.1000111.6R299 E305 R306 E307R299-D303 WeakPolarHBondContact O-CB 3.48Å; R299-D303 PolarHBondContact O-N 3.35Å; D303-E305 PolarHBondContact O-N 3.07Å; D303-R306 PolarHBondContact O-N 3.19Å; D303-R306 IonicContact OD1-NH1 3.31Å; D303-E307 WeakPolarHBondContact O-CB 3.31Å; D303-E307 PolarHBondContact O-N 3.5Å
304G67.7Low64.8Low24 Ų24112 Ų11225%0.24753%0.527CS..Hα-helixtrans-67.8-31.3174.200000113.9T300 R308T300-G304 PolarHBondContact O-N 3.31Å; G304-R308 WeakPolarHBondContact O-CB 3.46Å; G304-R308 WeakPolarHBondContact O-CD 3.36Å; G304-R308 WeakPolarHBondContact O-CG 3.31Å; G304-R308 PolarHBondContact O-N 2.78Å
305E71.1Confident64Low139 Ų139111.4 Ų111.465%0.6554%0.541SS*.Hα-helixtrans-69.4-41.3170.2-81.6-179.6176.300111.5A301 E302 D303 E307 R308 E309A301-E305 PolarHBondContact O-N 3.47Å; E302-E305 PolarHBondContact O-N 3.46Å; D303-E305 PolarHBondContact O-N 3.07Å; E305-E307 PolarHBondContact O-N 3.41Å; E305-R308 PolarHBondContact O-N 3.2Å; E305-E309 WeakPolarHBondContact O-CB 3.48Å; E305-E309 PolarHBondContact O-N 3.16Å
306R71Confident63.9Low152 Ų152114.1 Ų114.157%0.57455%0.553SS**Hα-helixtrans-64-38.4176-75.7169177.3-177-0.5112.8E302 D303 E309 R310E302-R306 WeakPolarHBondContact O-CB 3.37Å; E302-R306 VanDerWaalsContact O-CG 3.23Å; E302-R306 WeakPolarHBondContact O-CG 3.25Å; E302-R306 PolarHBondContact O-N 3.28Å; D303-R306 PolarHBondContact O-N 3.19Å; D303-R306 IonicContact OD1-NH1 3.31Å; R306-E309 PolarHBondContact O-N 2.99Å; R306-R310 WeakPolarHBondContact O-CG 3.21Å; R306-R310 PolarHBondContact O-N 2.89Å
307E69.7Low63.8Low127 Ų127119.8 Ų119.859%0.59357%0.57SS**Hα-helixtrans-68.4-45.2178.2-162.1166.1-146.500111.1D303 E305 E309 R310 E311D303-E307 WeakPolarHBondContact O-CB 3.31Å; D303-E307 PolarHBondContact O-N 3.5Å; E305-E307 PolarHBondContact O-N 3.41Å; E307-E309 VanDerWaalsContact C-N 3.26Å; E307-E309 PolarHBondContact O-N 2.92Å; E307-R310 WeakPolarHBondContact O-CB 3.38Å; E307-R310 PolarHBondContact O-N 3.43Å; E307-R310 VanDerWaalsContact O-N 3.12Å; E307-E311 WeakPolarHBondContact O-CG 3.43Å; E307-E311 PolarHBondContact O-N 3.29Å
308R76.1Confident63.5Low177 Ų177119.8 Ų119.867%0.66858%0.576SS**Hα-helixtrans-62.6-31.7172.6-71.2171.6-177-162.5-0.4113.2G304 E305 R312G304-R308 WeakPolarHBondContact O-CB 3.46Å; G304-R308 WeakPolarHBondContact O-CD 3.36Å; G304-R308 WeakPolarHBondContact O-CG 3.31Å; G304-R308 PolarHBondContact O-N 2.78Å; E305-R308 PolarHBondContact O-N 3.2Å; R308-R312 WeakPolarHBondContact O-CB 3.44Å; R308-R312 VanDerWaalsContact O-CG 3.29Å; R308-R312 WeakPolarHBondContact O-CG 3.47Å; R308-R312 PolarHBondContact O-N 3.05Å; R308-R312 VanDerWaalsContact O-N 3.16Å
309E74.7Confident63.3Low101 Ų101124.7 Ų124.747%0.47260%0.599SS.*Hα-helixtrans-75-32.2176-150.8-174161.600112E305 R306 E307 R313E305-E309 WeakPolarHBondContact O-CB 3.48Å; E305-E309 PolarHBondContact O-N 3.16Å; R306-E309 PolarHBondContact O-N 2.99Å; E307-E309 VanDerWaalsContact C-N 3.26Å; E307-E309 PolarHBondContact O-N 2.92Å; E309-R313 VanDerWaalsContact O-CG 3.31Å; E309-R313 WeakPolarHBondContact O-CG 3.43Å; E309-R313 PolarHBondContact O-N 3.44Å; E309-R313 IonicContact OE1-CZ 3.99Å; E309-R313 IonicContact OE1-NE 2.69Å; E309-R313 IonicContact OE1-NH2 2.7Å; E309-R313 PolarHBondContact OE1-NH2 3.39Å
310R73.6Confident63.2Low180 Ų180124.6 Ų124.668%0.67961%0.606SS**Hα-helixtrans-66.9-48.3170.9-76.2176.9178.9-161.7-1.1111.7R306 E307 R312 R313 E314R306-R310 WeakPolarHBondContact O-CG 3.21Å; R306-R310 PolarHBondContact O-N 2.89Å; E307-R310 WeakPolarHBondContact O-CB 3.38Å; E307-R310 PolarHBondContact O-N 3.43Å; E307-R310 VanDerWaalsContact O-N 3.12Å; R310-R312 VanDerWaalsContact C-N 3.26Å; R310-R312 PolarHBondContact O-N 3.2Å; R310-R313 PolarHBondContact O-N 3.49Å; R310-E314 PolarHBondContact O-N 3.35Å
311E74.4Confident62.7Low122 Ų122130.5 Ų130.557%0.5762%0.617SS**Hα-helixtrans-59.6-36.4176.8-69.6175.316400112.3E307 R313 G315E307-E311 WeakPolarHBondContact O-CG 3.43Å; E307-E311 PolarHBondContact O-N 3.29Å; E311-R313 VanDerWaalsContact C-N 3.33Å; E311-R313 PolarHBondContact O-N 3.37Å; E311-G315 PolarHBondContact O-N 2.87Å
312R73.9Confident62.1Low197 Ų197136.3 Ų136.374%0.74364%0.638SS**Hα-helixtrans-70.3-25.1174.7-80.1177.9177.2-142.9-2.2114.3R308 R310R308-R312 WeakPolarHBondContact O-CB 3.44Å; R308-R312 VanDerWaalsContact O-CG 3.29Å; R308-R312 WeakPolarHBondContact O-CG 3.47Å; R308-R312 PolarHBondContact O-N 3.05Å; R308-R312 VanDerWaalsContact O-N 3.16Å; R310-R312 VanDerWaalsContact C-N 3.26Å; R310-R312 PolarHBondContact O-N 3.2Å
313R68.7Low61.1Low162 Ų162136.7 Ų136.761%0.61166%0.662SS**Hα-helixtrans-81.9-42.5175.7-72.6175.1-169.9-161.85.2110.3E309 R310 E311 K316 E317E309-R313 VanDerWaalsContact O-CG 3.31Å; E309-R313 WeakPolarHBondContact O-CG 3.43Å; E309-R313 PolarHBondContact O-N 3.44Å; E309-R313 IonicContact OE1-CZ 3.99Å; E309-R313 IonicContact OE1-NE 2.69Å; E309-R313 IonicContact OE1-NH2 2.7Å; E309-R313 PolarHBondContact OE1-NH2 3.39Å; R310-R313 PolarHBondContact O-N 3.49Å; E311-R313 VanDerWaalsContact C-N 3.33Å; E311-R313 PolarHBondContact O-N 3.37Å; R313-K316 PolarHBondContact O-N 2.94Å; R313-E317 PolarHBondContact O-N 3.5Å
314E66.5Low59.7Low137 Ų137136.5 Ų136.564%0.6468%0.681SS**Hα-helixtrans-67.7-35.6177.2-69.1175.4-179.600112.3R310 K316 E317R310-E314 PolarHBondContact O-N 3.35Å; E314-K316 PolarHBondContact O-N 2.94Å; E314-E317 PolarHBondContact O-N 3.42Å
315G55.3Low57.9Low58 Ų58138.9 Ų138.960%0.59871%0.706SS**Hα-helixtrans-69.4-13.8174.100000115.2E311E311-G315 PolarHBondContact O-N 2.87Å
316K57.5Low56.5Low172 Ų172139 Ų13975%0.74872%0.718SS**Hα-helixtrans-93.6-22.9175.6-79-174.5174.2-169.60113.5R313 E314 G318R313-K316 PolarHBondContact O-N 2.94Å; E314-K316 PolarHBondContact O-N 2.94Å; K316-G318 VanDerWaalsContact C-N 3.34Å
317E51.4Low55.1Low152 Ų152143 Ų14371%0.7173%0.734SS**Hα-helixtrans-82.4-12.6176.6-71.6-174.3168.400113.1R313 E314R313-E317 PolarHBondContact O-N 3.5Å; E314-E317 PolarHBondContact O-N 3.42Å
318G47.1Very low53.3Low64 Ų64143.9 Ų143.966%0.6675%0.747SS**THydrogen-bonded Turntrans-78-17.8177.400000115.6K316K316-G318 VanDerWaalsContact C-N 3.34Å
319D47.8Very low51.8Low151 Ų151140.9 Ų140.981%0.80775%0.75SS**SBendtrans-101-4.5-170.6-147.223000113.9
320E46.5Very low50Low181 Ų181146.9 Ų146.985%0.84677%0.769SS**SBendtrans-101.410.6178.6-75.8-167.3160.600114.5
321R44.9Very low48Very low226 Ų226143.2 Ų143.285%0.85378%0.777SS**  trans-111.326.9-176-77.3-167.9-177.2-168.64.6116.5
322I44Very low46.2Very low178 Ų178144.2 Ų144.291%0.91379%0.785SS**SBendtrans-130.491.4167.2-52.3-179.7000110
323G38.1Very low44.8Very low82 Ų82140.7 Ų140.785%0.84579%0.788SS**  trans168.267.6172.300000114
324G32.9Very low43.7Very low85 Ų85139.1 Ų139.188%0.87680%0.799SS**  trans-130.6106175.700000113.1
325G31.7Very low42Very low74 Ų74136.7 Ų136.776%0.76381%0.81SS**PPolyproline II helixtrans-97.5167.7161.700000112.1
326P41.6Very low40.7Very low140 Ų140138 Ų13891%0.90982%0.823SS**PPolyproline II helixtrans-94.3161.2-13634.5-35.6000118.1
327R40.1Very low39.5Very low238 Ų238137.3 Ų137.390%0.89883%0.828SS**PPolyproline II helixtrans-79.6156.7-177.8-70.8172.1157.8-173-4.5115.4
328V32.8Very low39.8Very low144 Ų144135 Ų13587%0.87383%0.826SS**  trans-159.3163.5137.1-114.30000111.8
329P43.7Very low40Very low114 Ų114137.9 Ų137.974%0.7483%0.833SS**  -134.3157-122.532.4-8.1000118.9
330R37.6Very low39.1Very low228 Ų228134.6 Ų134.686%0.8684%0.835SS**  trans34.2131.5136.4-149.3178.9-172.5-166.41.6122.3
331A31.1Very low38.3Very low102 Ų102129.3 Ų129.384%0.84383%0.829SS**  trans-152.3145145.100000112.3
332L37.6Very low37.7Very low144 Ų144124.6 Ų124.675%0.75483%0.825SS**  trans-134155171.9-91.9165.8000107.9
333P43.4Very low37.2Very low122 Ų122122.2 Ų122.279%0.79281%0.814SS**  trans-136172.814028.7-9.8000114.3
334P46.3Very low36.9Very low130 Ų130127.6 Ų127.684%0.84481%0.809SS**  trans-126.2172.4-140.841.7-28.3000116.8
335G30.2Very low36.8Very low85 Ų85129.7 Ų129.788%0.87680%0.799SS**  trans112.2137.2132.400000119.2
336G28.5Very low36.9Very low85 Ų85136.6 Ų136.688%0.87680%0.802SS**  trans129.3117.8153.200000116.4
337N31.6Very low36.4Very low159 Ų159136.4 Ų136.485%0.8579%0.793SS**  trans-116.5-175.1179.4-146.823.8000109.5
338P57.7Low35.9Very low102 Ų102128.2 Ų128.266%0.66278%0.783SS**  -100.7-149.6-116.641-21000112.1
339P52.9Low36.6Very low125 Ų125126.9 Ų126.981%0.81278%0.778SS**  cis-141.2-179.9-2.740-18.8000117.1
340G28.7Very low36Very low82 Ų82128.7 Ų128.785%0.84578%0.781SS**  trans122.3135.1143.200000117.5
341G29.8Very low35.7Very low71 Ų71122.3 Ų122.373%0.73278%0.777SS**  trans129.382.8148.900000119
342V32.3Very low35.6Very low126 Ų126121.9 Ų121.976%0.76477%0.774SS**  trans26.8141.1134.7-121.50000123.3
343D32Very low35.2Very low128 Ų128119.8 Ų119.868%0.68478%0.777SS**  trans68.5148.7143.6-77.5-10.1000119.3
344R32.6Very low34.7Very low196 Ų196119.6 Ų119.674%0.7478%0.779SS**  cis-174.4147.1-8.9-116.4173.4162.8179.5-2105.3
345I31Very low34.1Very low128 Ų128121 Ų12166%0.65678%0.779SS**  trans54.3119.3135.9-56.5164.9000119.5
346R32.6Very low34.8Very low219 Ų219122.7 Ų122.783%0.82677%0.774SS**  -179.9114.4115.2-118.4169.1167.7-179.1-3.8110.8
347N31.8Very low34.7Very low136 Ų136122.6 Ų122.673%0.72777%0.765SS**  77.3114.6105.5-79.57.7000115.5
348G28.8Very low34.7Very low67 Ų67120.2 Ų120.269%0.69176%0.761SS**  trans-68.4-167.8143.900000111.1
349P47.8Very low33.5Very low116 Ų116127.1 Ų127.175%0.75377%0.774SS**  cis-148.1178.637.438.2-16.1000116.9
350N32.3Very low32.4Very low151 Ų151124.8 Ų124.881%0.80777%0.773SS**  trans81130.6139.5-87.9-3.7000123.7
351A30.2Very low32.4Very low95 Ų95127.1 Ų127.179%0.78577%0.77SS**  trans71.6149.9138.200000117.5
352A28.7Very low32.8Very low93 Ų93128.5 Ų128.577%0.76978%0.775SS**  cis-171.4152.5-20.300000105.2
353A31.1Very low32.6Very low99 Ų99131.1 Ų131.182%0.81878%0.779SS**  trans51.4119.2153.200000121.4
354S31.3Very low33Very low119 Ų119131 Ų13183%0.83279%0.788SS**  177.6124.4125.852.90000112.1
355N34.4Very low32.8Very low160 Ų160124.8 Ų124.886%0.85679%0.785SS**  trans-66.7173.1154.1-87.2-15.2000109.8
356P44.3Very low32.7Very low119 Ų119126.4 Ų126.477%0.77380%0.795SS**  cis-141.2-172.713.832.9-8.4000115.9
357A27.8Very low32.5Very low83 Ų83127.8 Ų127.869%0.68680%0.8SS**  trans97.8109.1146.400000120.6
358S31.4Very low32.5Very low109 Ų109126.1 Ų126.176%0.76280%0.799SS**  trans53.5115.1132.962.10000120.6
359R30.8Very low32.8Very low248 Ų248129.1 Ų129.194%0.93681%0.806SS**  -169.6135.6120.7-106.2169.6-179.9-1780.4110.8
360G30.1Very low32.1Very low76 Ų76132.4 Ų132.478%0.78481%0.812SS**  trans-72.6150.2-177.300000113.5
361V30.4Very low32.3Very low130 Ų130130 Ų13079%0.78881%0.813SS**  trans-141.9125.7158.21790000107
362A36.5Very low32.9Very low101 Ų101128.5 Ų128.584%0.83579%0.794SS**  trans-64.4129.7171.900000110
363Q29.6Very low33.6Very low180 Ų180127.1 Ų127.184%0.84178%0.778SS**  trans-134.3114.1163.9-84.2-172.6-3.600111.1G365Q363-G365 PolarHBondContact O-N 2.81Å
364S39.8Very low34Very low127 Ų127130.7 Ų130.789%0.88877%0.77SS**  trans-42.2120.2149.5160.80000110.2
365G28Very low34.2Very low65 Ų65128.1 Ų128.167%0.6776%0.756SS**  trans-136.8103-17900000111.2Q363 R367Q363-G365 PolarHBondContact O-N 2.81Å; G365-R367 PolarHBondContact O-N 3.26Å
366N29Very low34.4Very low162 Ų162124.9 Ų124.987%0.86674%0.736SS**  trans-43.4119.8166.6-97.9-21.1000111.3S368N366-S368 PolarHBondContact O-N 2.86Å
367R29.4Very low34.2Very low247 Ų247126.3 Ų126.393%0.93273%0.726SS**  trans-75104.1167.2-78.8-174.6176-168.8-0.5109.2G365G365-R367 PolarHBondContact O-N 3.26Å
368S29.8Very low35.1Very low102 Ų102126.4 Ų126.471%0.71371%0.712SS**PPolyproline II helixtrans-56.9139.1159-50.60000109.4N366 Q370N366-S368 PolarHBondContact O-N 2.86Å; S368-Q370 PolarHBondContact O-N 3.46Å
369P35.3Very low35.7Very low129 Ų129127.3 Ų127.384%0.83870%0.699SS**PPolyproline II helixtrans-66122.5178.725.1-30.7000109.7A371P369-A371 PolarHBondContact O-N 3.09Å
370Q34.7Very low36.2Very low186 Ų186121.5 Ų121.587%0.86968%0.681SS**PPolyproline II helixtrans-54.4135.4174.2-78.2178.7-29.600110.4S368 V372S368-Q370 PolarHBondContact O-N 3.46Å; Q370-V372 PolarHBondContact O-N 2.92Å
371A35.6Very low36.7Very low100 Ų100120.8 Ų120.883%0.82666%0.661SS**  trans-57.8110.4172.900000109.6P369 S373P369-A371 PolarHBondContact O-N 3.09Å; A371-S373 PolarHBondContact O-N 3.33Å
372V41.8Very low37.3Very low64 Ų64115.5 Ų115.539%0.38863%0.631SS.*  trans-57.6123.3174.7-178.70000108.1Q370 E376 R377Q370-V372 PolarHBondContact O-N 2.92Å; V372-E376 HydrophobicContact CG1-CB 3.68Å; V372-E376 HydrophobicContact CG1-CG 3.8Å; V372-R377 HydrophobicContact CG1-CG 4.36Å
373S44.1Very low37.5Very low63 Ų63113.5 Ų113.544%0.44161%0.605SS.*  trans-56.9145.6-177.977.80000110.5A371 A375 E376 R377A371-S373 PolarHBondContact O-N 3.33Å; S373-A375 PolarHBondContact O-N 2.88Å; S373-A375 VanDerWaalsContact O-N 3.08Å; S373-E376 WeakPolarHBondContact O-CA 3.29Å; S373-E376 WeakPolarHBondContact O-CB 3.45Å; S373-E376 PolarHBondContact O-N 2.94Å; S373-E376 PolarHBondContact OG-N 3.02Å; S373-R377 PolarHBondContact O-N 3.39Å; S373-R377 VanDerWaalsContact O-N 3.1Å
374R40.2Very low38Very low174 Ų174114 Ų11466%0.65760%0.599SS**Hα-helixtrans-50-36.9177.1-179.9176.9170173.11.7112.4E376 R377 E378R374-E376 VanDerWaalsContact C-N 3.32Å; R374-E376 PolarHBondContact O-N 3.37Å; R374-R377 PolarHBondContact O-N 2.69Å; R374-E378 IonicContact NE-OE1 2.75Å; R374-E378 PolarHBondContact NE-OE1 3.12Å; R374-E378 WeakPolarHBondContact O-CB 3.13Å; R374-E378 WeakPolarHBondContact O-CG 3.35Å; R374-E378 PolarHBondContact O-N 2.87Å
375A35.5Very low38.1Very low65 Ų65110.4 Ų110.454%0.53757%0.57SS.*Hα-helixtrans-62.9-35.617600000113S373 R379S373-A375 PolarHBondContact O-N 2.88Å; S373-A375 VanDerWaalsContact O-N 3.08Å; A375-R379 VanDerWaalsContact O-CB 3.29Å; A375-R379 WeakPolarHBondContact O-CB 3.31Å; A375-R379 PolarHBondContact O-N 3.49Å
376E37.8Very low38.8Very low92 Ų92110.9 Ų110.943%0.4356%0.555SS.*Hα-helixtrans-81.4-29.6-179.7-167.9170.2-172.700112.4V372 S373 R374 K380V372-E376 HydrophobicContact CG1-CB 3.68Å; V372-E376 HydrophobicContact CG1-CG 3.8Å; S373-E376 WeakPolarHBondContact O-CA 3.29Å; S373-E376 WeakPolarHBondContact O-CB 3.45Å; S373-E376 PolarHBondContact O-N 2.94Å; S373-E376 PolarHBondContact OG-N 3.02Å; R374-E376 VanDerWaalsContact C-N 3.32Å; R374-E376 PolarHBondContact O-N 3.37Å; E376-K380 WeakPolarHBondContact O-CG 3.45Å; E376-K380 PolarHBondContact O-N 3.4Å
377R40.6Very low39.2Very low149 Ų149113.8 Ų113.856%0.56255%0.553SS**Hα-helixtrans-64.5-46.7165.2-90.2-177.4173.1-167.9-2.7111.4E302 V372 S373 R374 R379 K380 V381E302-R377 IonicContact OE1-NH1 3.15Å; V372-R377 HydrophobicContact CG1-CG 4.36Å; S373-R377 PolarHBondContact O-N 3.39Å; S373-R377 VanDerWaalsContact O-N 3.1Å; R374-R377 PolarHBondContact O-N 2.69Å; R377-R379 VanDerWaalsContact C-N 3.3Å; R377-R379 PolarHBondContact O-N 2.91Å; R377-K380 PolarHBondContact O-N 3.28Å; R377-V381 WeakPolarHBondContact O-CG2 3.5Å; R377-V381 PolarHBondContact O-N 3.05Å; R377-V381 VanDerWaalsContact O-N 3.08Å
378E47.1Very low39.2Very low85 Ų85105.2 Ų105.240%0.39754%0.541SS..Hα-helixtrans-60.8-38.8175.5-73.5171.2-173.300111.7R374 V381 A382R374-E378 IonicContact NE-OE1 2.75Å; R374-E378 PolarHBondContact NE-OE1 3.12Å; R374-E378 WeakPolarHBondContact O-CB 3.13Å; R374-E378 WeakPolarHBondContact O-CG 3.35Å; R374-E378 PolarHBondContact O-N 2.87Å; E378-V381 PolarHBondContact O-N 3.06Å; E378-A382 PolarHBondContact O-N 2.98Å
379R44.1Very low39.1Very low129 Ų129103.6 Ų103.649%0.48754%0.535SS..Hα-helixtrans-62.8-44.1174.5-165177.4-172.6176.62.6112.7E34 A375 R377 V381 M383E34-R379 IonicContact OE1-NH2 2.64Å; E34-R379 IonicContact OE2-CZ 2.72Å; E34-R379 VanDerWaalsContact OE2-CZ 3.29Å; E34-R379 IonicContact OE2-NE 3.12Å; E34-R379 PolarHBondContact OE2-NE 3.31Å; E34-R379 IonicContact OE2-NH2 3.8Å; E34-R379 PolarHBondContact OE2-NH2 2.98Å; A375-R379 VanDerWaalsContact O-CB 3.29Å; A375-R379 WeakPolarHBondContact O-CB 3.31Å; A375-R379 PolarHBondContact O-N 3.49Å; R377-R379 VanDerWaalsContact C-N 3.3Å; R377-R379 PolarHBondContact O-N 2.91Å; R379-V381 VanDerWaalsContact C-N 3.35Å; R379-V381 PolarHBondContact O-N 2.96Å; R379-M383 WeakPolarHBondContact O-CB 3.35Å; R379-M383 WeakPolarHBondContact O-CG 3.44Å; R379-M383 PolarHBondContact O-N 3.12Å; R379-M383 VanDerWaalsContact O-N 3.16Å
380K40.6Very low38.6Very low126 Ų126102 Ų10255%0.54852%0.524SS..Hα-helixtrans-68.7-29.9177-75.8179.5-178.2175.90113.1E376 R377 R384E376-K380 WeakPolarHBondContact O-CG 3.45Å; E376-K380 PolarHBondContact O-N 3.4Å; R377-K380 PolarHBondContact O-N 3.28Å; K380-R384 PolarHBondContact O-N 3.21Å
381V42Very low38.5Very low60 Ų6098 Ų9836%0.36452%0.523SS..Hα-helixtrans-78.1-40.8178.5174.40000112.1R377 E378 R379 M383 R384 L385R377-V381 WeakPolarHBondContact O-CG2 3.5Å; R377-V381 PolarHBondContact O-N 3.05Å; R377-V381 VanDerWaalsContact O-N 3.08Å; E378-V381 PolarHBondContact O-N 3.06Å; R379-V381 VanDerWaalsContact C-N 3.35Å; R379-V381 PolarHBondContact O-N 2.96Å; V381-M383 PolarHBondContact O-N 3.23Å; V381-R384 PolarHBondContact O-N 3.49Å; V381-L385 PolarHBondContact O-N 3.13Å; V381-L385 VanDerWaalsContact O-N 3.11Å
382A42.3Very low38.2Very low20 Ų2099.5 Ų99.517%0.16552%0.517CS..Hα-helixtrans-58.5-38.6169.800000111.6E378 H386E378-A382 PolarHBondContact O-N 2.98Å; A382-H386 PolarHBondContact O-N 2.95Å; A382-H386 PolarHBondContact O-ND1 2.99Å
383M40.9Very low37.6Very low58 Ų58103.4 Ų103.429%0.28653%0.534SS..Hα-helixtrans-68.1-31.3172.6-73.1-75.9-129.600113.6R13 L25 E34 R379 V381 H386 R387R13-M383 PolarHBondContact NH2-SD 3.44Å; L25-M383 HydrophobicContact CD2-CE 4.14Å; E34-M383 WeakPolarHBondContact OE1-CE 3.37Å; R379-M383 WeakPolarHBondContact O-CB 3.35Å; R379-M383 WeakPolarHBondContact O-CG 3.44Å; R379-M383 PolarHBondContact O-N 3.12Å; R379-M383 VanDerWaalsContact O-N 3.16Å; V381-M383 PolarHBondContact O-N 3.23Å; M383-H386 PolarHBondContact O-N 3.21Å; M383-R387 PolarHBondContact O-N 2.86Å
384R40.7Very low37Very low190 Ų190102.3 Ų102.372%0.71753%0.527SS*.Hα-helixtrans-69.7-36.9175.2-98.4-178.2176.2169.6-0.9112.6K380 V381 H386 R387 G388K380-R384 PolarHBondContact O-N 3.21Å; V381-R384 PolarHBondContact O-N 3.49Å; R384-H386 PolarHBondContact O-N 3.35Å; R384-R387 PolarHBondContact O-N 3.38Å; R384-G388 PolarHBondContact O-N 3.28Å
385L41.8Very low36.7Very low52 Ų5297.2 Ų97.227%0.27252%0.518SS..Hα-helixtrans-60.6-32.9172-70.2169000111.6F95 V381 R387F95-L385 HydrophobicContact CD2-CD2 3.44Å; F95-L385 VanDerWaalsContact CD2-CD2 3.44Å; F95-L385 HydrophobicContact CE2-CD2 3.8Å; F95-L385 HydrophobicContact CG-CD2 4.04Å; V381-L385 PolarHBondContact O-N 3.13Å; V381-L385 VanDerWaalsContact O-N 3.11Å; L385-R387 VanDerWaalsContact C-N 3.32Å; L385-R387 PolarHBondContact O-N 3.33Å
386H41.4Very low36.8Very low76 Ų7695.7 Ų95.735%0.35250%0.503SS..THydrogen-bonded Turntrans-78.8-8.8172.7-72.370.4000114.4A382 M383 R384A382-H386 PolarHBondContact O-N 2.95Å; A382-H386 PolarHBondContact O-ND1 2.99Å; M383-H386 PolarHBondContact O-N 3.21Å; R384-H386 PolarHBondContact O-N 3.35Å
387R38.8Very low36.6Very low223 Ų22395.2 Ų95.284%0.84250%0.503SS*.THydrogen-bonded Turntrans-102.4-14.4-172.8-127.5-178.6-168-171.93.1113.8M383 R384 L385M383-R387 PolarHBondContact O-N 2.86Å; R384-R387 PolarHBondContact O-N 3.38Å; L385-R387 VanDerWaalsContact C-N 3.32Å; L385-R387 PolarHBondContact O-N 3.33Å
388G28.3Very low36.3Very low66 Ų6694 Ų9468%0.6851%0.507SS*.SBendtrans-116.9-5.3-170.400000115.8R384R384-G388 PolarHBondContact O-N 3.28Å
389A28.1Very low36Very low69 Ų6991.7 Ų91.757%0.5750%0.499SS*.SBendtrans-88.8125.5171.500000108.6
390P25.1Very low35.5Very low95 Ų9588.4 Ų88.462%0.61750%0.499SS*.  trans-52.7149.2157.124.4-30.8000107.6N392P390-N392 PolarHBondContact O-N 3.45Å
391A31.9Very low35.1Very low102 Ų10290 Ų9084%0.84351%0.509SS*.  trans-59.785.9169.900000107.9I393A391-I393 PolarHBondContact O-N 2.66Å
392N28.8Very low34.9Very low132 Ų13294 Ų9471%0.70653%0.526SS*.  trans-68110.2174.5-86.2-16.7000104.7P390 S394P390-N392 PolarHBondContact O-N 3.45Å; N392-S394 PolarHBondContact O-N 3.18Å
393I29.6Very low34.4Very low145 Ų14596.3 Ų96.374%0.74455%0.551SS**  trans-48.997.9163.7-68165.1000105.6A391 D397A391-I393 PolarHBondContact O-N 2.66Å; I393-D397 HydrophobicContact CG2-CB 4.17Å; I393-D397 WeakPolarHBondContact CG2-OD2 3.28Å
394S31.8Very low34.3Very low41 Ų41102.3 Ų102.329%0.28758%0.578SS.*  trans-65.1147.1177.5171.80000107N392 S396 D397N392-S394 PolarHBondContact O-N 3.18Å; S394-S396 WeakPolarHBondContact CB-OG 3.32Å; S394-S396 PolarHBondContact O-N 3.11Å; S394-S396 PolarHBondContact OG-N 3.16Å; S394-S396 PolarHBondContact OG-OG 2.96Å; S394-D397 PolarHBondContact O-N 2.63Å
395S32.9Very low33.8Very low67 Ų6799 Ų9947%0.46958%0.584SS.*G310 helixtrans-57.6-5.8172.665.70000113.5R178R178-S395 PolarHBondContact NH2-OG 3.08Å; R178-S395 VanDerWaalsContact NH2-OG 3.1Å
396S39.2Very low33.3Very low32 Ų32108.5 Ų108.522%0.22462%0.616CS.*G310 helixtrans-67.1-24.6167.958.40000114.6S394 L398 T399S394-S396 WeakPolarHBondContact CB-OG 3.32Å; S394-S396 PolarHBondContact O-N 3.11Å; S394-S396 PolarHBondContact OG-N 3.16Å; S394-S396 PolarHBondContact OG-OG 2.96Å; S396-L398 PolarHBondContact O-N 2.92Å; S396-L398 VanDerWaalsContact O-N 3.1Å; S396-T399 PolarHBondContact O-N 3.37Å; S396-T399 PolarHBondContact O-OG1 3Å
397D33.4Very low32.7Very low82 Ų82112 Ų11244%0.43964%0.636SS.*G310 helixtrans-64.9-18.8-177.3-77-15.8000113I393 S394I393-D397 HydrophobicContact CG2-CB 4.17Å; I393-D397 WeakPolarHBondContact CG2-OD2 3.28Å; S394-D397 PolarHBondContact O-N 2.63Å
398L33.6Very low32.2Very low124 Ų124106.1 Ų106.165%0.64964%0.635SS**G310 helixtrans-90.3-5.5174.2-71.4166.9000113.6K221 S396K221-L398 WeakPolarHBondContact CE-O 3.42Å; K221-L398 PolarHBondContact NZ-O 3.18Å; S396-L398 PolarHBondContact O-N 2.92Å; S396-L398 VanDerWaalsContact O-N 3.1Å
399T40.2Very low32.3Very low37 Ų37108.7 Ų108.723%0.22764%0.638CS.*THydrogen-bonded Turntrans-90.6-25.6-171.659.10000114.4K221 S396K221-T399 PolarHBondContact NZ-O 2.94Å; S396-T399 PolarHBondContact O-N 3.37Å; S396-T399 PolarHBondContact O-OG1 3Å
400A34.9Very low32.4Very low59 Ų59110.8 Ų110.849%0.48865%0.648SS.*SBendtrans-96-7.9-172.800000116.3M402A400-M402 PolarHBondContact O-N 3.16Å
401Q31.5Very low32.6Very low161 Ų161115.1 Ų115.175%0.75266%0.66SS**  trans-76.289.7168.7-82.4-174.3-900110.1
402M36.8Very low32.5Very low144 Ų144116.1 Ų116.171%0.70966%0.656SS**  trans-76.2135.6165.7-94.4-174.7170.600111A400A400-M402 PolarHBondContact O-N 3.16Å
403G32.6Very low32.4Very low68 Ų68115.1 Ų115.170%0.70166%0.659SS**  trans90.559.4149.300000116.9
404Q38.5Very low32.6Very low183 Ų183114 Ų11486%0.85566%0.659SS**  trans-113.5101.3156.6-73.6-176.72.200109.2
405S29.7Very low32.6Very low120 Ų120117.4 Ų117.484%0.83968%0.68SS**  trans-168.9116.5136.7-101.60000108.2
406R32.1Very low32.5Very low252 Ų252124.6 Ų124.695%0.95170%0.703SS**  trans-70.6129.4169.9-71.2175.3171.5177.3-3.7108
407I29Very low32.2Very low150 Ų150132.1 Ų132.177%0.76974%0.735SS**  trans-110108.9151.7-64.5177.8000105.1T409I407-T409 PolarHBondContact O-N 3.2Å
408A28.6Very low32.2Very low99 Ų99136.6 Ų136.682%0.81875%0.753SS**  trans-71.2110.2166.100000107.1
409T30.4Very low32.2Very low120 Ų120138.9 Ų138.974%0.73677%0.765SS**  trans-93112.2163.123.70000106.9I407 Q411I407-T409 PolarHBondContact O-N 3.2Å; T409-Q411 PolarHBondContact O-N 2.64Å; T409-Q411 VanDerWaalsContact O-N 3.11Å
410S29.5Very low32.1Very low113 Ų113140.3 Ų140.379%0.7979%0.787SS**  trans-64.3101.4168.151.10000108.8V412S410-V412 PolarHBondContact O-N 3.39Å
411Q29.4Very low32.1Very low186 Ų186151.2 Ų151.287%0.86982%0.823SS**  trans-85.5104.2161.4-79.2-173.2-17.100107.9T409 S413T409-Q411 PolarHBondContact O-N 2.64Å; T409-Q411 VanDerWaalsContact O-N 3.11Å; Q411-S413 PolarHBondContact O-N 3.29Å
412V29.7Very low32.1Very low124 Ų124150.8 Ų150.875%0.75283%0.827SS**  trans-66.5114.2162.4175.40000106.7S410 V414S410-V412 PolarHBondContact O-N 3.39Å; V412-V414 PolarHBondContact O-N 2.94Å
413S28Very low31.9Very low111 Ų111151.1 Ų151.178%0.77683%0.833SS**  trans-69.6112.2168.846.40000109.3Q411Q411-S413 PolarHBondContact O-N 3.29Å
414V32.3Very low31.8Very low121 Ų121155.7 Ų155.773%0.73384%0.84SS**PPolyproline II helixtrans-94.5125.5167.2-173.50000107.7V412V412-V414 PolarHBondContact O-N 2.94Å
415P33.1Very low31.5Very low113 Ų113154.1 Ų154.173%0.73484%0.839SS**PPolyproline II helixtrans-76.9138175.9-1.818.7000110.6
416F30.3Very low31.6Very low217 Ų217156.3 Ų156.395%0.95284%0.839SS**PPolyproline II helixtrans-73.3119165.4-108.5-97.4000108.9
417E32.6Very low31.5Very low191 Ų191149.9 Ų149.989%0.89383%0.832SS**  trans-118.9151.4161.2-86.3-168.9168.600111.2
418H33.8Very low31.7Very low176 Ų176149.9 Ų149.982%0.81584%0.836SS**  trans-77.5167-166.9-117-54.8000114.2
419L32.9Very low31.9Very low171 Ų171153.8 Ų153.890%0.89584%0.838SS**  trans82.1134.8162.1-57.7136.6000114.5
420G37.5Very low32.1Very low67 Ų67156.6 Ų156.669%0.69185%0.846SS**  cis143.211412.800000107.9
421K36Very low32.3Very low289 Ų289160.5 Ų160.5100%1.25785%0.851SS**  trans154.60150.5-90.8-177.8-179.7-178.60110.5

Retrieved 421 of 421 residues in 2946.3 ms (Link to these results)

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