A0A077ZD84_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZD84, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 330 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
1M35.3Very low73.2Confident218 Ų218104.6 Ų104.6100%1.07455%0.548SS*.  0147.60-59.9-150.2-66.200107.5E3M1-E3 PolarHBondContact O-N 3.18Å
2P53Low74.9Confident120 Ų12099 Ų9978%0.77952%0.524SS*.PPolyproline II helixtrans-53.3125.8165.4-12.326000106.4E4P2-E4 PolarHBondContact O-N 3.18Å
3E58.5Low76.3Confident123 Ų12394.4 Ų94.458%0.57550%0.502SS*.PPolyproline II helixtrans-59.4118.2175.6-71.5-175163.200107.2M1 L5 L51 S53M1-E3 PolarHBondContact O-N 3.18Å; E3-L5 PolarHBondContact O-N 3.4Å; E3-L51 HydrophobicContact CB-CD1 3.43Å; E3-L51 VanDerWaalsContact CB-CD1 3.43Å; E3-S53 PolarHBondContact OE2-OG 2.71Å
4E67.8Low77.6Confident173 Ų17388.3 Ų88.381%0.80847%0.469SS*.PPolyproline II helixtrans-59.9132.6-180-74.7-174.7160.400109.2P2P2-E4 PolarHBondContact O-N 3.18Å
5L74.6Confident78.7Confident48 Ų4891.5 Ų91.525%0.25147%0.472SS..PPolyproline II helixtrans-60.6152.1178.4-73.1171.6000110.3E3 N7 E26 G27E3-L5 PolarHBondContact O-N 3.4Å; L5-N7 PolarHBondContact O-N 3.39Å; L5-N7 VanDerWaalsContact O-N 3.1Å; L5-E26 HydrophobicContact CD1-CG 3.53Å; L5-G27 WeakPolarHBondContact CD1-O 3.4Å
6P73.6Confident79.5Confident7 Ų794.1 Ų94.15%0.04549%0.487CS..PPolyproline II helixtrans-56.7122.3177.8-22.534.9000109.8Y33 L51 V87P6-Y33 PolarHBondContact O-OH 3.09Å; P6-L51 HydrophobicContact CG-CD2 3.96Å; P6-L51 HydrophobicContact CG-CG 4.22Å; P6-V87 HydrophobicContact CB-CB 4.39Å; P6-V87 HydrophobicContact CB-CG1 3.83Å; P6-V87 HydrophobicContact CB-CG2 3.73Å; P6-V87 HydrophobicContact CG-CG1 4.03Å; P6-V87 HydrophobicContact CG-CG2 4.15Å
7N84.1Confident80.5Confident106 Ų10691.8 Ų91.857%0.56747%0.47SS*.  trans-111.984.3174.7-166.636.4000110.1L5 L9L5-N7 PolarHBondContact O-N 3.39Å; L5-N7 VanDerWaalsContact O-N 3.1Å; N7-L9 PolarHBondContact O-N 2.71Å
8L88.8Confident81.4Confident22 Ų2286.7 Ų86.712%0.11544%0.444CS..PPolyproline II helixtrans-71.8127.5176.2-56.2-179.6000110.1M14 V20 Y33 M47 T49 V87L8-M14 HydrophobicContact CD1-CE 4.37Å; L8-M14 HydrophobicContact CD1-CG 4.19Å; L8-M14 HydrophobicContact CD1-SD 4.06Å; L8-M14 HydrophobicContact CD2-CE 4.23Å; L8-M14 HydrophobicContact CD2-SD 3.81Å; L8-V20 HydrophobicContact CB-CG1 4.32Å; L8-V20 HydrophobicContact CB-CG2 4.05Å; L8-V20 HydrophobicContact CD1-CG2 4.04Å; L8-Y33 HydrophobicContact CB-CE1 4.01Å; L8-Y33 HydrophobicContact CB-CE2 4.36Å; L8-Y33 HydrophobicContact CD1-CD2 4.38Å; L8-Y33 HydrophobicContact CD1-CE2 4.24Å; L8-Y33 HydrophobicContact CG-CE2 4.3Å; L8-Y33 PolarHBondContact N-OH 3.02Å; L8-Y33 VanDerWaalsContact N-OH 3.13Å; L8-Y33 WeakPolarHBondContact O-CE1 3.28Å; L8-M47 HydrophobicContact CD1-SD 3.8Å; L8-T49 HydrophobicContact CD1-CG2 3.94Å; L8-V87 HydrophobicContact CD2-CG2 4.36Å
9L88.6Confident82.2Confident117 Ų11783.8 Ų83.861%0.61343%0.429SS*.PPolyproline II helixtrans-78.7147178.9-62.7176.7000110.8N7 S12N7-L9 PolarHBondContact O-N 2.71Å; L9-S12 VanDerWaalsContact O-CB 3.25Å; L9-S12 WeakPolarHBondContact O-CB 3.5Å; L9-S12 PolarHBondContact O-N 2.96Å; L9-S12 VanDerWaalsContact O-N 3.13Å; L9-S12 PolarHBondContact O-OG 3Å
10P90.3Very high82.9Confident82 Ų8279.7 Ų79.753%0.53241%0.407SS..THydrogen-bonded Turntrans-50.5146.1166.9-2635.3000111.5S12 V20P10-S12 PolarHBondContact O-N 3.2Å; P10-V20 CarbonylContact C-O 3.49Å; P10-V20 WeakPolarHBondContact CA-O 3.46Å
11M90.2Very high83.5Confident135 Ų13578 Ų7867%0.66540%0.401SS*.THydrogen-bonded Turntrans68.4-6-174.5-51.2-62.3-60.500115.8V20M11-V20 PolarHBondContact N-O 3.02Å
12S93.6Very high86.3Confident37 Ų3772.7 Ų72.726%0.25937%0.373SS..  trans-64.9142.8170.465.10000110.3L9 P10 E19 V20L9-S12 VanDerWaalsContact O-CB 3.25Å; L9-S12 WeakPolarHBondContact O-CB 3.5Å; L9-S12 PolarHBondContact O-N 2.96Å; L9-S12 VanDerWaalsContact O-N 3.13Å; L9-S12 PolarHBondContact O-OG 3Å; P10-S12 PolarHBondContact O-N 3.2Å; S12-E19 CarbonylContact O-C 3.5Å; S12-E19 WeakPolarHBondContact O-CA 3.45Å; S12-V20 PolarHBondContact O-N 3.16Å; S12-V20 WeakPolarHBondContact OG-CG2 3.44Å
13V94Very high88.2Confident39 Ų3970.3 Ų70.324%0.23635%0.351CS..EExtended strand (participates in β ladder)trans-116.1118-178.9-174.20000109.4D16 W18 E19V13-D16 VanDerWaalsContact CG1-C 3.43Å; V13-W18 WeakPolarHBondContact CA-O 3.41Å; V13-E19 HydrophobicContact CG2-CB 4.31Å; V13-E19 HydrophobicContact CG2-CG 4.34Å
14M94.4Very high89.6Confident9 Ų965.3 Ų65.34%0.04433%0.328CS..EExtended strand (participates in β ladder)trans-85.5126.6174.1-55.8-64.6-75.200109.3L8 D16 R17 W18 M47 Q84 V87 Y89L8-M14 HydrophobicContact CD1-CE 4.37Å; L8-M14 HydrophobicContact CD1-CG 4.19Å; L8-M14 HydrophobicContact CD1-SD 4.06Å; L8-M14 HydrophobicContact CD2-CE 4.23Å; L8-M14 HydrophobicContact CD2-SD 3.81Å; M14-D16 PolarHBondContact O-N 3.01Å; M14-R17 PolarHBondContact O-N 3.3Å; M14-R17 VanDerWaalsContact O-N 3.08Å; M14-W18 HydrophobicContact CB-CB 4.27Å; M14-W18 PolarHBondContact N-O 3.25Å; M14-W18 PolarHBondContact O-N 3.34Å; M14-M47 HydrophobicContact CB-CE 3.99Å; M14-M47 HydrophobicContact CG-CE 3.85Å; M14-M47 HydrophobicContact CG-SD 4.12Å; M14-Q84 HydrophobicContact CE-CB 3.9Å; M14-Q84 HydrophobicContact CE-CG 4.4Å; M14-V87 HydrophobicContact CE-CB 4.2Å; M14-V87 HydrophobicContact CE-CG1 4.26Å; M14-Y89 HydrophobicContact CB-CE1 4.04Å; M14-Y89 HydrophobicContact CE-CD1 3.7Å; M14-Y89 HydrophobicContact CE-CE1 3.82Å
15R93.3Very high90.5Very high137 Ų13757.8 Ų57.852%0.51730%0.297SS..THydrogen-bonded Turntrans51.239.8177.5-77.8-95-177176.2-1.9113.3R17 N82 T83 Y89R15-R17 PolarHBondContact O-N 3.22Å; R15-N82 PolarHBondContact NE-OD1 3.35Å; R15-N82 PolarHBondContact NH2-OD1 3.48Å; R15-T83 PolarHBondContact NH2-O 2.76Å; R15-Y89 WeakPolarHBondContact CB-OH 3.47Å; R15-Y89 WeakPolarHBondContact CG-OH 3.5Å
16D92.2Very high90.9Very high132 Ų13258.9 Ų58.971%0.70630%0.301SS*.THydrogen-bonded Turntrans55.112.4-178.3-58.9-52.1000115.3V13 M14V13-D16 VanDerWaalsContact CG1-C 3.43Å; M14-D16 PolarHBondContact O-N 3.01Å
17R95.7Very high91Very high55 Ų5558.8 Ų58.821%0.20830%0.301CS..THydrogen-bonded Turntrans-124.6-50.8-172179.3176.4-177.6-169.6-6.4113.1M14 R15 E19 D37 R38 L39 N40M14-R17 PolarHBondContact O-N 3.3Å; M14-R17 VanDerWaalsContact O-N 3.08Å; R15-R17 PolarHBondContact O-N 3.22Å; R17-E19 PolarHBondContact O-N 3.28Å; R17-D37 VanDerWaalsContact CG-OD1 3.23Å; R17-D37 WeakPolarHBondContact CG-OD1 3.38Å; R17-D37 IonicContact CZ-OD1 2.74Å; R17-D37 IonicContact CZ-OD2 2.86Å; R17-D37 IonicContact NE-OD1 2.95Å; R17-D37 PolarHBondContact NE-OD1 2.93Å; R17-D37 IonicContact NE-OD2 2.6Å; R17-D37 PolarHBondContact NE-OD2 3.34Å; R17-D37 IonicContact NH2-OD1 3.18Å; R17-D37 IonicContact NH2-OD2 2.7Å; R17-D37 PolarHBondContact NH2-OD2 3.48Å; R17-R38 VanDerWaalsContact O-CB 3.29Å; R17-R38 WeakPolarHBondContact O-CB 3.36Å; R17-R38 VanDerWaalsContact O-CG 3.3Å; R17-R38 WeakPolarHBondContact O-CG 3.46Å; R17-R38 PolarHBondContact O-N 3.43Å; R17-L39 HydrophobicContact CB-CD1 4.08Å; R17-L39 HydrophobicContact CB-CG 4.23Å; R17-L39 HydrophobicContact CG-CB 4.37Å; R17-L39 HydrophobicContact CG-CD1 3.88Å; R17-L39 HydrophobicContact CG-CG 3.9Å; R17-N40 PolarHBondContact NH2-ND2 2.94Å
18W97Very high90.4Very high1 Ų155 Ų550%0.00429%0.287CS..EExtended strand (participates in β ladder)trans-98.8100-169.6-59.7109.1000110.5V13 M14 V35 K36 D37 M47 Y79 D80 Y89 V91V13-W18 WeakPolarHBondContact CA-O 3.41Å; M14-W18 HydrophobicContact CB-CB 4.27Å; M14-W18 PolarHBondContact N-O 3.25Å; M14-W18 PolarHBondContact O-N 3.34Å; W18-V35 HydrophobicContact CB-CB 4.47Å; W18-V35 HydrophobicContact CE3-CG2 3.82Å; W18-V35 HydrophobicContact CZ3-CG2 4.41Å; W18-K36 WeakPolarHBondContact CA-O 3.33Å; W18-D37 HydrophobicContact CE3-CB 3.99Å; W18-D37 HydrophobicContact CH2-CB 3.88Å; W18-D37 WeakPolarHBondContact CH2-OD2 3.47Å; W18-D37 HydrophobicContact CZ3-CB 3.4Å; W18-M47 HydrophobicContact CB-CE 3.49Å; W18-M47 VanDerWaalsContact CB-CE 3.49Å; W18-M47 HydrophobicContact CG-CE 4.01Å; W18-Y79 HydrophobicContact CH2-CD2 4.03Å; W18-Y79 HydrophobicContact CH2-CG 4.21Å; W18-Y79 HydrophobicContact CZ3-CD2 4.47Å; W18-D80 HydrophobicContact CZ2-CB 3.82Å; W18-D80 PolarHBondContact NE1-OD2 3.36Å; W18-Y89 AromaticContact CD1-CE2 3.96Å; W18-V91 HydrophobicContact CD2-CB 4.34Å; W18-V91 HydrophobicContact CD2-CG1 3.94Å; W18-V91 HydrophobicContact CD2-CG2 3.93Å; W18-V91 HydrophobicContact CE3-CG1 3.76Å; W18-V91 HydrophobicContact CG-CG2 4.04Å; W18-V91 HydrophobicContact CH2-CB 4.37Å; W18-V91 HydrophobicContact CH2-CG1 3.76Å; W18-V91 HydrophobicContact CZ2-CB 4.07Å; W18-V91 HydrophobicContact CZ2-CG1 3.93Å; W18-V91 HydrophobicContact CZ2-CG2 4.34Å; W18-V91 HydrophobicContact CZ3-CG1 3.64Å
19E96.9Very high89.5Confident32 Ų3259.2 Ų59.215%0.1531%0.305CS..EExtended strand (participates in β ladder)trans-79.5123.8176.2-174-175.7137.500110.2S12 V13 R17 V21 V35 K36 R38S12-E19 CarbonylContact O-C 3.5Å; S12-E19 WeakPolarHBondContact O-CA 3.45Å; V13-E19 HydrophobicContact CG2-CB 4.31Å; V13-E19 HydrophobicContact CG2-CG 4.34Å; R17-E19 PolarHBondContact O-N 3.28Å; E19-V21 PolarHBondContact O-N 3.49Å; E19-V35 CarbonylContact O-C 3.56Å; E19-V35 WeakPolarHBondContact O-CA 3.3Å; E19-V35 WeakPolarHBondContact O-CB 3.27Å; E19-K36 PolarHBondContact N-O 3.37Å; E19-K36 PolarHBondContact O-N 3.11Å; E19-R38 HydrophobicContact CB-CG 4.09Å
20V96.8Very high89.3Confident0 Ų054 Ų540%028%0.279CS..EExtended strand (participates in β ladder)trans-75.3120.4177.9178.50000109.8L8 P10 M11 S12 Y33 V35L8-V20 HydrophobicContact CB-CG1 4.32Å; L8-V20 HydrophobicContact CB-CG2 4.05Å; L8-V20 HydrophobicContact CD1-CG2 4.04Å; P10-V20 CarbonylContact C-O 3.49Å; P10-V20 WeakPolarHBondContact CA-O 3.46Å; M11-V20 PolarHBondContact N-O 3.02Å; S12-V20 PolarHBondContact O-N 3.16Å; S12-V20 WeakPolarHBondContact OG-CG2 3.44Å; V20-Y33 HydrophobicContact CG1-CD1 3.75Å; V20-Y33 HydrophobicContact CG1-CE1 4.43Å; V20-Y33 HydrophobicContact CG1-CG 4.3Å; V20-V35 HydrophobicContact CG2-CG1 4.3Å
21V95.2Very high89.3Confident45 Ų4550 Ų5027%0.27325%0.254SS..EExtended strand (participates in β ladder)trans-90.5-59.5178.8-1790000110E19 T34 K36E19-V21 PolarHBondContact O-N 3.49Å; V21-T34 HydrophobicContact CB-CG2 4.18Å; V21-T34 WeakPolarHBondContact CB-O 3.41Å; V21-T34 HydrophobicContact CG2-CG2 4.31Å; V21-T34 PolarHBondContact N-O 3.12Å; V21-K36 HydrophobicContact CG2-CD 3.94Å; V21-K36 HydrophobicContact CG2-CG 3.75Å
22Q93.4Very high89.4Confident106 Ų10644.1 Ų44.150%0.49523%0.225SC..EExtended strand (participates in β ladder)trans-156.1154.8-177.765.1178.45.400111.3L24 Y33 T34Q22-L24 HydrophobicContact CG-CD2 4.44Å; Q22-Y33 CarbonylContact O-C 3.6Å; Q22-Y33 VanDerWaalsContact O-CA 3.24Å; Q22-Y33 WeakPolarHBondContact O-CA 3.49Å; Q22-T34 PolarHBondContact O-N 3.32Å
23K92.4Very high89.5Confident71 Ų7142.4 Ų42.431%0.30921%0.213SC..EExtended strand (participates in β ladder)trans-79.2121.2170.6-165.6171.4-170.9175.50109.4E26 S31 Y33K23-E26 IonicContact NZ-OE2 3.92Å; K23-E26 PolarHBondContact NZ-OE2 2.87Å; K23-S31 WeakPolarHBondContact CE-OG 3.14Å; K23-S31 PolarHBondContact NZ-OG 3.35Å; K23-Y33 HydrophobicContact CB-CD1 3.78Å; K23-Y33 HydrophobicContact CB-CE1 3.64Å; K23-Y33 HydrophobicContact CD-CE1 3.92Å; K23-Y33 HydrophobicContact CG-CD1 4Å; K23-Y33 HydrophobicContact CG-CE1 3.6Å
24L89.4Confident89.6Confident17 Ų1740.8 Ų40.89%0.08920%0.203CC..EExtended strand (participates in β ladder)trans-80.8-31.7172.9-65.6178.3000110.5Q22 V32 T34 L94 N313 Y315Q22-L24 HydrophobicContact CG-CD2 4.44Å; L24-V32 WeakPolarHBondContact CA-O 3.49Å; L24-V32 HydrophobicContact CB-CB 4.45Å; L24-V32 HydrophobicContact CB-CG1 4.5Å; L24-V32 WeakPolarHBondContact CB-O 3.46Å; L24-V32 HydrophobicContact CD1-CG1 4.27Å; L24-V32 PolarHBondContact N-O 3.42Å; L24-T34 WeakPolarHBondContact CD1-OG1 3.4Å; L24-T34 WeakPolarHBondContact CD2-OG1 3.29Å; L24-L94 HydrophobicContact CD1-CD1 3.92Å; L24-N313 PolarHBondContact O-ND2 3.33Å; L24-Y315 HydrophobicContact CB-CD2 4.42Å; L24-Y315 HydrophobicContact CD1-CD2 3.62Å; L24-Y315 HydrophobicContact CD1-CE2 3.82Å
25G85.4Confident89.7Confident16 Ų1640.3 Ų40.317%0.16520%0.201CC..EExtended strand (participates in β ladder)trans171.3-178.8166.900000112.7S31 V32G25-S31 CarbonylContact O-C 3.52Å; G25-S31 WeakPolarHBondContact O-CA 3.24Å; G25-V32 PolarHBondContact N-O 3.12Å; G25-V32 VanDerWaalsContact N-O 3.16Å; G25-V32 PolarHBondContact O-N 3.22Å
26E83.8Confident89.9Confident70 Ų7037.1 Ų37.133%0.32719%0.19SC..EExtended strand (participates in β ladder)trans-129.6119.8-179.8-174.6175.7107.200107.9L5 K23 I319 K323L5-E26 HydrophobicContact CD1-CG 3.53Å; K23-E26 IonicContact NZ-OE2 3.92Å; K23-E26 PolarHBondContact NZ-OE2 2.87Å; E26-I319 VanDerWaalsContact C-CG2 3.41Å; E26-I319 WeakPolarHBondContact O-CG2 3.18Å; E26-K323 WeakPolarHBondContact O-CE 3.45Å; E26-K323 PolarHBondContact O-NZ 3.34Å
27G76.1Confident90Very high5 Ų531.1 Ų31.15%0.05216%0.158CC..  trans-98.7-170173.300000111.4L5 F29 G30L5-G27 WeakPolarHBondContact CD1-O 3.4Å; G27-F29 VanDerWaalsContact C-N 3.29Å; G27-F29 PolarHBondContact O-N 3.17Å; G27-G30 PolarHBondContact N-O 3.09Å
28G70.4Confident90Very high27 Ų2733.8 Ų33.828%0.27817%0.168SC..SBendtrans-69.7-24.1179.200000115.3I326G28-I326 WeakPolarHBondContact O-CD1 3.25Å
29F71.2Confident89.8Confident111 Ų11139.4 Ų39.449%0.48720%0.198SC..SBendtrans-113.2-2.9-172.7-59.5-77.3000113.5G27 I326G27-F29 VanDerWaalsContact C-N 3.29Å; G27-F29 PolarHBondContact O-N 3.17Å; F29-I326 HydrophobicContact CE2-CD1 4.38Å; F29-I326 HydrophobicContact CZ-CD1 4.27Å
30G83.3Confident89.4Confident6 Ų642.1 Ų42.16%0.06221%0.214CC..  trans166.6-179.9-167.500000114.3G27 T49G27-G30 PolarHBondContact N-O 3.09Å; G30-T49 WeakPolarHBondContact CA-O 3.4Å
31S90.4Very high89Confident0 Ų051.2 Ų51.20%026%0.256CS..EExtended strand (participates in β ladder)trans-119.4155.4176.1-670000110.6K23 G25 K48 T49K23-S31 WeakPolarHBondContact CE-OG 3.14Å; K23-S31 PolarHBondContact NZ-OG 3.35Å; G25-S31 CarbonylContact O-C 3.52Å; G25-S31 WeakPolarHBondContact O-CA 3.24Å; S31-K48 CarbonylContact O-C 3.53Å; S31-K48 WeakPolarHBondContact O-CA 3.46Å; S31-T49 PolarHBondContact N-O 3.22Å; S31-T49 PolarHBondContact N-OG1 2.82Å; S31-T49 PolarHBondContact O-N 3.39Å; S31-T49 PolarHBondContact O-OG1 3.49Å
32V93.3Very high88.6Confident11 Ų1154 Ų547%0.06727%0.265CS..EExtended strand (participates in β ladder)trans-120.8134.7172.6-169.80000108.8L24 G25 A46 M47 K48 Y315 I319L24-V32 WeakPolarHBondContact CA-O 3.49Å; L24-V32 HydrophobicContact CB-CB 4.45Å; L24-V32 HydrophobicContact CB-CG1 4.5Å; L24-V32 WeakPolarHBondContact CB-O 3.46Å; L24-V32 HydrophobicContact CD1-CG1 4.27Å; L24-V32 PolarHBondContact N-O 3.42Å; G25-V32 PolarHBondContact N-O 3.12Å; G25-V32 VanDerWaalsContact N-O 3.16Å; G25-V32 PolarHBondContact O-N 3.22Å; V32-A46 HydrophobicContact CG1-CB 4.48Å; V32-M47 CarbonylContact C-O 3.52Å; V32-M47 WeakPolarHBondContact CA-O 3.31Å; V32-K48 HydrophobicContact CG2-CB 4.46Å; V32-K48 HydrophobicContact CG2-CG 4.21Å; V32-Y315 HydrophobicContact CB-CD2 4.44Å; V32-Y315 HydrophobicContact CG1-CD2 3.65Å; V32-Y315 HydrophobicContact CG1-CE2 3.8Å; V32-Y315 HydrophobicContact CG1-CG 4.19Å; V32-I319 HydrophobicContact CB-CD1 4.29Å; V32-I319 HydrophobicContact CG2-CD1 4.16Å
33Y95.3Very high88.4Confident1 Ų151.9 Ų51.90%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-126.6149-179-59.7-95.3000110.6P6 L8 V20 Q22 K23 A46 M47 T49P6-Y33 PolarHBondContact O-OH 3.09Å; L8-Y33 HydrophobicContact CB-CE1 4.01Å; L8-Y33 HydrophobicContact CB-CE2 4.36Å; L8-Y33 HydrophobicContact CD1-CD2 4.38Å; L8-Y33 HydrophobicContact CD1-CE2 4.24Å; L8-Y33 HydrophobicContact CG-CE2 4.3Å; L8-Y33 PolarHBondContact N-OH 3.02Å; L8-Y33 VanDerWaalsContact N-OH 3.13Å; L8-Y33 WeakPolarHBondContact O-CE1 3.28Å; V20-Y33 HydrophobicContact CG1-CD1 3.75Å; V20-Y33 HydrophobicContact CG1-CE1 4.43Å; V20-Y33 HydrophobicContact CG1-CG 4.3Å; Q22-Y33 CarbonylContact O-C 3.6Å; Q22-Y33 VanDerWaalsContact O-CA 3.24Å; Q22-Y33 WeakPolarHBondContact O-CA 3.49Å; K23-Y33 HydrophobicContact CB-CD1 3.78Å; K23-Y33 HydrophobicContact CB-CE1 3.64Å; K23-Y33 HydrophobicContact CD-CE1 3.92Å; K23-Y33 HydrophobicContact CG-CD1 4Å; K23-Y33 HydrophobicContact CG-CE1 3.6Å; Y33-A46 CarbonylContact O-C 3.43Å; Y33-A46 WeakPolarHBondContact O-CA 3.36Å; Y33-M47 PolarHBondContact N-O 3.4Å; Y33-M47 PolarHBondContact O-N 3.24Å; Y33-T49 HydrophobicContact CD2-CG2 3.93Å; Y33-T49 HydrophobicContact CE2-CG2 3.88Å
34T95.5Very high88.5Confident4 Ų451.9 Ų51.93%0.02526%0.261CS..EExtended strand (participates in β ladder)trans-78.6134.4157.5-60.10000108.2V21 Q22 L24 E44 G45 L94V21-T34 HydrophobicContact CB-CG2 4.18Å; V21-T34 WeakPolarHBondContact CB-O 3.41Å; V21-T34 HydrophobicContact CG2-CG2 4.31Å; V21-T34 PolarHBondContact N-O 3.12Å; Q22-T34 PolarHBondContact O-N 3.32Å; L24-T34 WeakPolarHBondContact CD1-OG1 3.4Å; L24-T34 WeakPolarHBondContact CD2-OG1 3.29Å; T34-E44 HydrophobicContact CG2-CB 4.3Å; T34-E44 HydrophobicContact CG2-CG 4.33Å; T34-G45 WeakPolarHBondContact CA-O 3.41Å; T34-L94 HydrophobicContact CG2-CD2 3.8Å
35V97.1Very high88.8Confident0 Ų051 Ų510%026%0.257CS..EExtended strand (participates in β ladder)trans-130.3158.7176.5-610000111.2W18 E19 V20 E44 G45 M47 V91W18-V35 HydrophobicContact CB-CB 4.47Å; W18-V35 HydrophobicContact CE3-CG2 3.82Å; W18-V35 HydrophobicContact CZ3-CG2 4.41Å; E19-V35 CarbonylContact O-C 3.56Å; E19-V35 WeakPolarHBondContact O-CA 3.3Å; E19-V35 WeakPolarHBondContact O-CB 3.27Å; V20-V35 HydrophobicContact CG2-CG1 4.3Å; V35-E44 CarbonylContact O-C 3.57Å; V35-E44 VanDerWaalsContact O-CA 3.29Å; V35-E44 WeakPolarHBondContact O-CA 3.27Å; V35-G45 PolarHBondContact N-O 3.16Å; V35-G45 PolarHBondContact O-N 3.4Å; V35-M47 HydrophobicContact CB-CB 4.42Å; V35-M47 HydrophobicContact CG1-CB 3.48Å; V35-M47 VanDerWaalsContact CG1-CB 3.48Å; V35-M47 HydrophobicContact CG1-CE 3.87Å; V35-M47 HydrophobicContact CG1-CG 4.37Å; V35-M47 HydrophobicContact CG1-SD 4.08Å; V35-M47 HydrophobicContact CG2-CB 4.02Å; V35-V91 HydrophobicContact CG2-CG1 3.73Å
36K96.8Very high89.3Confident69 Ų6950.3 Ų50.330%0.325%0.249SC..EExtended strand (participates in β ladder)trans-114.7139.2171.4-72.6175178.4179.40111.1W18 E19 V21 R38 F42 P43 E44W18-K36 WeakPolarHBondContact CA-O 3.33Å; E19-K36 PolarHBondContact N-O 3.37Å; E19-K36 PolarHBondContact O-N 3.11Å; V21-K36 HydrophobicContact CG2-CD 3.94Å; V21-K36 HydrophobicContact CG2-CG 3.75Å; K36-R38 PolarHBondContact O-N 3.25Å; K36-F42 HydrophobicContact CB-CB 4.36Å; K36-F42 HydrophobicContact CB-CD1 4.16Å; K36-F42 HydrophobicContact CD-CB 4.44Å; K36-F42 HydrophobicContact CD-CD1 4.45Å; K36-P43 WeakPolarHBondContact CA-O 3.4Å; K36-E44 HydrophobicContact CG-CG 4.27Å
37D95.9Very high89.9Confident6 Ų647 Ų473%0.03223%0.233CC..EExtended strand (participates in β ladder)trans-83.497.3175.2-164.3-19.2000111.3R17 W18 L39 N40 F42 P43R17-D37 VanDerWaalsContact CG-OD1 3.23Å; R17-D37 WeakPolarHBondContact CG-OD1 3.38Å; R17-D37 IonicContact CZ-OD1 2.74Å; R17-D37 IonicContact CZ-OD2 2.86Å; R17-D37 IonicContact NE-OD1 2.95Å; R17-D37 PolarHBondContact NE-OD1 2.93Å; R17-D37 IonicContact NE-OD2 2.6Å; R17-D37 PolarHBondContact NE-OD2 3.34Å; R17-D37 IonicContact NH2-OD1 3.18Å; R17-D37 IonicContact NH2-OD2 2.7Å; R17-D37 PolarHBondContact NH2-OD2 3.48Å; W18-D37 HydrophobicContact CE3-CB 3.99Å; W18-D37 HydrophobicContact CH2-CB 3.88Å; W18-D37 WeakPolarHBondContact CH2-OD2 3.47Å; W18-D37 HydrophobicContact CZ3-CB 3.4Å; D37-L39 PolarHBondContact O-N 2.95Å; D37-L39 VanDerWaalsContact O-N 3.09Å; D37-L39 PolarHBondContact OD1-N 3.41Å; D37-L39 VanDerWaalsContact OD1-N 3.11Å; D37-N40 HydrophobicContact CB-CB 4.28Å; D37-N40 PolarHBondContact O-N 2.99Å; D37-N40 PolarHBondContact OD2-ND2 3.14Å; D37-F42 WeakPolarHBondContact O-CA 3.41Å; D37-F42 PolarHBondContact O-N 3.49Å; D37-P43 HydrophobicContact CB-CG 3.95Å; D37-P43 PolarHBondContact N-O 2.92Å; D37-P43 VanDerWaalsContact N-O 3.11Å
38R94.3Very high90.8Very high111 Ų11147.9 Ų47.942%0.41924%0.236SC..THydrogen-bonded Turntrans-59.8-21.5179.7-64.8-178.569.1-160.11.4113.2R17 E19 K36 F42R17-R38 VanDerWaalsContact O-CB 3.29Å; R17-R38 WeakPolarHBondContact O-CB 3.36Å; R17-R38 VanDerWaalsContact O-CG 3.3Å; R17-R38 WeakPolarHBondContact O-CG 3.46Å; R17-R38 PolarHBondContact O-N 3.43Å; E19-R38 HydrophobicContact CB-CG 4.09Å; K36-R38 PolarHBondContact O-N 3.25Å; R38-F42 HydrophobicContact CB-CE1 4.2Å; R38-F42 HydrophobicContact CB-CZ 4.32Å; R38-F42 HydrophobicContact CG-CD1 4.37Å; R38-F42 HydrophobicContact CG-CE1 3.75Å; R38-F42 HydrophobicContact CG-CZ 4.29Å
39L92.5Very high91.9Very high120 Ų12046.7 Ų46.763%0.62822%0.223SC*.THydrogen-bonded Turntrans-92.6-15.6-177-59.7-175.4000113.5R17 D37R17-L39 HydrophobicContact CB-CD1 4.08Å; R17-L39 HydrophobicContact CB-CG 4.23Å; R17-L39 HydrophobicContact CG-CB 4.37Å; R17-L39 HydrophobicContact CG-CD1 3.88Å; R17-L39 HydrophobicContact CG-CG 3.9Å; D37-L39 PolarHBondContact O-N 2.95Å; D37-L39 VanDerWaalsContact O-N 3.09Å; D37-L39 PolarHBondContact OD1-N 3.41Å; D37-L39 VanDerWaalsContact OD1-N 3.11Å
40N89.7Confident92.8Very high89 Ų8941.8 Ų41.848%0.47620%0.202SC..THydrogen-bonded Turntrans-126.444.9-173.2-69.2-53.3000113.6R17 D37 P43R17-N40 PolarHBondContact NH2-ND2 2.94Å; D37-N40 HydrophobicContact CB-CB 4.28Å; D37-N40 PolarHBondContact O-N 2.99Å; D37-N40 PolarHBondContact OD2-ND2 3.14Å; N40-P43 HydrophobicContact CB-CG 4.49Å; N40-P43 WeakPolarHBondContact O-CD 3.31Å
41Q87.8Confident93.2Very high190 Ų19042.2 Ų42.289%0.88820%0.203SC*.THydrogen-bonded Turntrans68.229.1-179.5-47.8174.116.500114.7
42F86.1Confident93Very high104 Ų10444 Ų4446%0.45622%0.215SC..  trans57.634.2174.5-61.5-98.7000117.2K36 D37 R38K36-F42 HydrophobicContact CB-CB 4.36Å; K36-F42 HydrophobicContact CB-CD1 4.16Å; K36-F42 HydrophobicContact CD-CB 4.44Å; K36-F42 HydrophobicContact CD-CD1 4.45Å; D37-F42 WeakPolarHBondContact O-CA 3.41Å; D37-F42 PolarHBondContact O-N 3.49Å; R38-F42 HydrophobicContact CB-CE1 4.2Å; R38-F42 HydrophobicContact CB-CZ 4.32Å; R38-F42 HydrophobicContact CG-CD1 4.37Å; R38-F42 HydrophobicContact CG-CE1 3.75Å; R38-F42 HydrophobicContact CG-CZ 4.29Å
43P90.5Very high92.5Very high61 Ų6146.3 Ų46.340%0.39623%0.232SC..  trans-62.8144.9171.828.5-36.9000110.1K36 D37 N40K36-P43 WeakPolarHBondContact CA-O 3.4Å; D37-P43 HydrophobicContact CB-CG 3.95Å; D37-P43 PolarHBondContact N-O 2.92Å; D37-P43 VanDerWaalsContact N-O 3.11Å; N40-P43 HydrophobicContact CB-CG 4.49Å; N40-P43 WeakPolarHBondContact O-CD 3.31Å
44E93.7Very high91.8Very high71 Ų7147.9 Ų47.933%0.33225%0.245SC..EExtended strand (participates in β ladder)trans-76.8137.9176.7-64.6-173.2150.700111.6T34 V35 K36 L94 R149T34-E44 HydrophobicContact CG2-CB 4.3Å; T34-E44 HydrophobicContact CG2-CG 4.33Å; V35-E44 CarbonylContact O-C 3.57Å; V35-E44 VanDerWaalsContact O-CA 3.29Å; V35-E44 WeakPolarHBondContact O-CA 3.27Å; K36-E44 HydrophobicContact CG-CG 4.27Å; E44-L94 HydrophobicContact CB-CD2 4.24Å; E44-R149 IonicContact OE2-CZ 3.9Å; E44-R149 VanDerWaalsContact OE2-CZ 3.26Å; E44-R149 IonicContact OE2-NH1 3.33Å; E44-R149 PolarHBondContact OE2-NH1 3.34Å; E44-R149 IonicContact OE2-NH2 2.81Å; E44-R149 PolarHBondContact OE2-NH2 3.46Å
45G95.5Very high90.8Very high0 Ų060 Ų600%029%0.29CS..EExtended strand (participates in β ladder)trans-130.7170.5171.300000111.4T34 V35 M92T34-G45 WeakPolarHBondContact CA-O 3.41Å; V35-G45 PolarHBondContact N-O 3.16Å; V35-G45 PolarHBondContact O-N 3.4Å; G45-M92 CarbonylContact C-O 3.57Å; G45-M92 WeakPolarHBondContact CA-O 3.29Å
46A96.2Very high89.6Confident0 Ų063 Ų630%031%0.311CS..EExtended strand (participates in β ladder)trans-101129.6167.900000109V32 Y33 V91 M92 L94 Y315V32-A46 HydrophobicContact CG1-CB 4.48Å; Y33-A46 CarbonylContact O-C 3.43Å; Y33-A46 WeakPolarHBondContact O-CA 3.36Å; A46-V91 WeakPolarHBondContact O-CA 3.33Å; A46-M92 HydrophobicContact CB-CE 4.38Å; A46-M92 HydrophobicContact CB-CG 4.24Å; A46-M92 PolarHBondContact N-O 3.03Å; A46-M92 PolarHBondContact O-N 2.97Å; A46-L94 HydrophobicContact CB-CB 4.5Å; A46-L94 HydrophobicContact CB-CD1 3.98Å; A46-Y315 HydrophobicContact CB-CE2 3.83Å; A46-Y315 WeakPolarHBondContact CB-OH 3.41Å
47M96.3Very high88.7Confident0 Ų061.9 Ų61.90%032%0.315CS..EExtended strand (participates in β ladder)trans-109.6111.1171.5-179.5-175.1-76.300109.3L8 M14 W18 V32 Y33 V35 T49 Y89 L90 V91L8-M47 HydrophobicContact CD1-SD 3.8Å; M14-M47 HydrophobicContact CB-CE 3.99Å; M14-M47 HydrophobicContact CG-CE 3.85Å; M14-M47 HydrophobicContact CG-SD 4.12Å; W18-M47 HydrophobicContact CB-CE 3.49Å; W18-M47 VanDerWaalsContact CB-CE 3.49Å; W18-M47 HydrophobicContact CG-CE 4.01Å; V32-M47 CarbonylContact C-O 3.52Å; V32-M47 WeakPolarHBondContact CA-O 3.31Å; Y33-M47 PolarHBondContact N-O 3.4Å; Y33-M47 PolarHBondContact O-N 3.24Å; V35-M47 HydrophobicContact CB-CB 4.42Å; V35-M47 HydrophobicContact CG1-CB 3.48Å; V35-M47 VanDerWaalsContact CG1-CB 3.48Å; V35-M47 HydrophobicContact CG1-CE 3.87Å; V35-M47 HydrophobicContact CG1-CG 4.37Å; V35-M47 HydrophobicContact CG1-SD 4.08Å; V35-M47 HydrophobicContact CG2-CB 4.02Å; M47-T49 HydrophobicContact CG-CG2 3.95Å; M47-T49 HydrophobicContact SD-CG2 4.09Å; M47-Y89 HydrophobicContact CE-CD2 3.76Å; M47-Y89 HydrophobicContact CE-CE2 4.03Å; M47-Y89 HydrophobicContact CE-CG 4.12Å; M47-Y89 HydrophobicContact CG-CD2 4.21Å; M47-Y89 HydrophobicContact CG-CG 4.26Å; M47-Y89 HydrophobicContact SD-CD2 4.23Å; M47-Y89 HydrophobicContact SD-CG 4.07Å; M47-L90 CarbonylContact C-O 3.5Å; M47-L90 VanDerWaalsContact CA-O 3.31Å; M47-L90 WeakPolarHBondContact CA-O 3.46Å; M47-V91 HydrophobicContact CB-CG2 4.41Å; M47-V91 HydrophobicContact CE-CG2 3.84Å; M47-V91 HydrophobicContact CG-CG2 4.27Å
48K94.6Very high88.4Confident25 Ų2563 Ų6311%0.10932%0.322CS..EExtended strand (participates in β ladder)trans-89.7135169.3-171.8171179.3-1760108.3S31 V32 L59 E62 Y89 L90 D161S31-K48 CarbonylContact O-C 3.53Å; S31-K48 WeakPolarHBondContact O-CA 3.46Å; V32-K48 HydrophobicContact CG2-CB 4.46Å; V32-K48 HydrophobicContact CG2-CG 4.21Å; K48-L59 HydrophobicContact CB-CD1 3.97Å; K48-L59 HydrophobicContact CD-CD1 3.78Å; K48-L59 HydrophobicContact CG-CD1 3.72Å; K48-L59 WeakPolarHBondContact O-CD2 3.43Å; K48-E62 IonicContact NZ-OE1 2.77Å; K48-E62 PolarHBondContact NZ-OE1 3.23Å; K48-E62 IonicContact NZ-OE2 3.62Å; K48-E62 PolarHBondContact NZ-OE2 3.27Å; K48-Y89 CarbonylContact O-C 3.56Å; K48-Y89 WeakPolarHBondContact O-CA 2.99Å; K48-L90 PolarHBondContact N-O 3.04Å; K48-L90 PolarHBondContact O-N 2.91Å; K48-D161 IonicContact NZ-OD1 3.4Å
49T93.9Very high88.2Confident2 Ų257.8 Ų57.81%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-123.8149.5-176.5680000111.5L8 G30 S31 Y33 M47 V87 R88L8-T49 HydrophobicContact CD1-CG2 3.94Å; G30-T49 WeakPolarHBondContact CA-O 3.4Å; S31-T49 PolarHBondContact N-O 3.22Å; S31-T49 PolarHBondContact N-OG1 2.82Å; S31-T49 PolarHBondContact O-N 3.39Å; S31-T49 PolarHBondContact O-OG1 3.49Å; Y33-T49 HydrophobicContact CD2-CG2 3.93Å; Y33-T49 HydrophobicContact CE2-CG2 3.88Å; M47-T49 HydrophobicContact CG-CG2 3.95Å; M47-T49 HydrophobicContact SD-CG2 4.09Å; T49-V87 HydrophobicContact CG2-CG1 4.16Å; T49-R88 CarbonylContact C-O 3.58Å; T49-R88 VanDerWaalsContact CA-O 3.27Å; T49-R88 WeakPolarHBondContact CA-O 3.48Å
50E91.3Very high88.3Confident7 Ų757.2 Ų57.23%0.03329%0.294CS..EExtended strand (participates in β ladder)trans-141.3160166.868.5-179.4-169.900109.5S52 L59 R88E50-S52 PolarHBondContact O-N 2.9Å; E50-L59 HydrophobicContact CG-CB 3.74Å; E50-L59 HydrophobicContact CG-CD2 3.94Å; E50-L59 VanDerWaalsContact OE1-CB 3.29Å; E50-L59 WeakPolarHBondContact OE1-CB 3.48Å; E50-L59 PolarHBondContact OE1-N 3.36Å; E50-L59 VanDerWaalsContact OE2-CB 3.3Å; E50-L59 WeakPolarHBondContact OE2-CB 3.33Å; E50-L59 PolarHBondContact OE2-N 3.1Å; E50-R88 HydrophobicContact CG-CB 3.96Å; E50-R88 HydrophobicContact CG-CG 4.42Å; E50-R88 PolarHBondContact N-O 3.42Å; E50-R88 PolarHBondContact O-N 2.96Å; E50-R88 VanDerWaalsContact OE1-CD 3.31Å; E50-R88 WeakPolarHBondContact OE1-CD 3.49Å; E50-R88 IonicContact OE1-CZ 3.57Å; E50-R88 IonicContact OE1-NE 2.74Å; E50-R88 IonicContact OE1-NH1 3.3Å; E50-R88 PolarHBondContact OE1-NH1 3.3Å
51L89.7Confident88.5Confident15 Ų1556.1 Ų56.18%0.07929%0.286CS..EExtended strand (participates in β ladder)trans-63135.5170.1-72.6168.3000109.8E3 P6 S53 A54E3-L51 HydrophobicContact CB-CD1 3.43Å; E3-L51 VanDerWaalsContact CB-CD1 3.43Å; P6-L51 HydrophobicContact CG-CD2 3.96Å; P6-L51 HydrophobicContact CG-CG 4.22Å; L51-S53 PolarHBondContact O-N 3.47Å; L51-A54 HydrophobicContact CB-CB 4.31Å; L51-A54 WeakPolarHBondContact O-CB 3.23Å; L51-A54 PolarHBondContact O-N 2.8Å
52S86.4Confident88.8Confident37 Ų3747.7 Ų47.726%0.25925%0.246SC..THydrogen-bonded Turntrans-61-31.8175.663.40000112.2E50 A54 N86 R88E50-S52 PolarHBondContact O-N 2.9Å; S52-A54 VanDerWaalsContact C-N 3.3Å; S52-N86 VanDerWaalsContact CB-O 3.32Å; S52-N86 WeakPolarHBondContact CB-O 3.25Å; S52-N86 PolarHBondContact N-O 3.48Å; S52-N86 VanDerWaalsContact OG-C 3.32Å; S52-N86 VanDerWaalsContact OG-CA 3.28Å; S52-N86 WeakPolarHBondContact OG-CA 3.2Å; S52-N86 PolarHBondContact OG-O 3.07Å; S52-R88 PolarHBondContact O-NH2 2.82Å
53S84Confident89.3Confident61 Ų6142.7 Ų42.743%0.42723%0.225SC..THydrogen-bonded Turntrans-76.1-9.4174.450.40000114E3 L51 R55E3-S53 PolarHBondContact OE2-OG 2.71Å; L51-S53 PolarHBondContact O-N 3.47Å; S53-R55 PolarHBondContact O-N 3.26Å; S53-R55 VanDerWaalsContact O-N 3.16Å
54A80.9Confident89.6Confident33 Ų3344.1 Ų44.127%0.27323%0.225SC..  trans-54.5124.6-177.100000110.8L51 S52 S56L51-A54 HydrophobicContact CB-CB 4.31Å; L51-A54 WeakPolarHBondContact O-CB 3.23Å; L51-A54 PolarHBondContact O-N 2.8Å; S52-A54 VanDerWaalsContact C-N 3.3Å; A54-S56 PolarHBondContact O-N 3.45Å; A54-S56 VanDerWaalsContact O-N 3.15Å
55R72.7Confident89.8Confident260 Ų26040.8 Ų40.898%0.98121%0.209SC*.SBendtrans-58.4-32.3-172.3-166.5177.6-176.5-179.52.4112.9S53S53-R55 PolarHBondContact O-N 3.26Å; S53-R55 VanDerWaalsContact O-N 3.16Å
56S72.1Confident90Very high61 Ų6140.9 Ų40.943%0.42721%0.21SC..SBendtrans-104.9112.4172.951.90000109.1A54 V58A54-S56 PolarHBondContact O-N 3.45Å; A54-S56 VanDerWaalsContact O-N 3.15Å; S56-V58 PolarHBondContact O-N 3.47Å
57A78.9Confident90.1Very high46 Ų4645.1 Ų45.138%0.3823%0.229SC..  trans-75.658.8176.400000111.7L59 K60 F61A57-L59 VanDerWaalsContact C-N 3.35Å; A57-L59 PolarHBondContact O-N 3.25Å; A57-K60 HydrophobicContact CB-CB 4.38Å; A57-K60 HydrophobicContact CB-CD 4.33Å; A57-K60 HydrophobicContact CB-CG 4.43Å; A57-K60 PolarHBondContact O-N 2.87Å; A57-F61 PolarHBondContact O-N 2.71Å
58V88.5Confident90.1Very high31 Ų3151.6 Ų51.619%0.18825%0.254CS..Hα-helixtrans-63.2-43.6-174.4-178.10000109.9S56 K60 F61 E62S56-V58 PolarHBondContact O-N 3.47Å; V58-K60 VanDerWaalsContact C-N 3.34Å; V58-K60 PolarHBondContact O-N 3.33Å; V58-F61 WeakPolarHBondContact O-CB 3.23Å; V58-F61 PolarHBondContact O-N 3.39Å; V58-E62 HydrophobicContact CG1-CG 4.33Å; V58-E62 WeakPolarHBondContact CG1-OE1 3.23Å; V58-E62 PolarHBondContact O-N 3.2Å
59L91.8Very high90.3Very high1 Ų150.4 Ų50.41%0.00525%0.248CC..Hα-helixtrans-65.8-34.9-176.8-163.662.7000113.4K48 E50 A57 F61 E62 A63 R88 L90K48-L59 HydrophobicContact CB-CD1 3.97Å; K48-L59 HydrophobicContact CD-CD1 3.78Å; K48-L59 HydrophobicContact CG-CD1 3.72Å; K48-L59 WeakPolarHBondContact O-CD2 3.43Å; E50-L59 HydrophobicContact CG-CB 3.74Å; E50-L59 HydrophobicContact CG-CD2 3.94Å; E50-L59 VanDerWaalsContact OE1-CB 3.29Å; E50-L59 WeakPolarHBondContact OE1-CB 3.48Å; E50-L59 PolarHBondContact OE1-N 3.36Å; E50-L59 VanDerWaalsContact OE2-CB 3.3Å; E50-L59 WeakPolarHBondContact OE2-CB 3.33Å; E50-L59 PolarHBondContact OE2-N 3.1Å; A57-L59 VanDerWaalsContact C-N 3.35Å; A57-L59 PolarHBondContact O-N 3.25Å; L59-F61 VanDerWaalsContact C-N 3.28Å; L59-F61 PolarHBondContact O-N 3.06Å; L59-E62 PolarHBondContact O-N 3.08Å; L59-A63 WeakPolarHBondContact O-CB 3.27Å; L59-A63 PolarHBondContact O-N 3.4Å; L59-R88 HydrophobicContact CD2-CG 4.29Å; L59-L90 HydrophobicContact CD1-CB 3.78Å; L59-L90 HydrophobicContact CD1-CD2 4.16Å; L59-L90 HydrophobicContact CD2-CB 4.19Å; L59-L90 HydrophobicContact CG-CB 3.89Å
60K93.6Very high90.5Very high107 Ų10754 Ų5447%0.46527%0.265SS..Hα-helixtrans-61.9-39.7173-70.5-169176.5178.10111.5A57 V58 F64 M81A57-K60 HydrophobicContact CB-CB 4.38Å; A57-K60 HydrophobicContact CB-CD 4.33Å; A57-K60 HydrophobicContact CB-CG 4.43Å; A57-K60 PolarHBondContact O-N 2.87Å; V58-K60 VanDerWaalsContact C-N 3.34Å; V58-K60 PolarHBondContact O-N 3.33Å; K60-F64 WeakPolarHBondContact O-CB 3.47Å; K60-F64 PolarHBondContact O-N 3.07Å; K60-M81 HydrophobicContact CG-SD 4.33Å
61F93.8Very high90.8Very high66 Ų6657.7 Ų57.729%0.28931%0.305SS..Hα-helixtrans-71.2-42.3178.5179.1-103.8000111.6A57 V58 L59 A63 F64 V65 F135 A165A57-F61 PolarHBondContact O-N 2.71Å; V58-F61 WeakPolarHBondContact O-CB 3.23Å; V58-F61 PolarHBondContact O-N 3.39Å; L59-F61 VanDerWaalsContact C-N 3.28Å; L59-F61 PolarHBondContact O-N 3.06Å; F61-A63 VanDerWaalsContact C-N 3.35Å; F61-A63 PolarHBondContact O-N 2.83Å; F61-F64 WeakPolarHBondContact O-CB 3.48Å; F61-F64 PolarHBondContact O-N 3.33Å; F61-V65 HydrophobicContact CD1-CG2 4.44Å; F61-V65 HydrophobicContact CE1-CG2 4.02Å; F61-V65 HydrophobicContact CE2-CG2 4.21Å; F61-V65 HydrophobicContact CZ-CG2 3.9Å; F61-V65 WeakPolarHBondContact O-CG2 3.43Å; F61-V65 PolarHBondContact O-N 2.85Å; F61-F135 HydrophobicContact CE2-CD1 4.47Å; F61-F135 AromaticContact CE2-CE1 3.67Å; F61-F135 HydrophobicContact CE2-CE1 3.67Å; F61-F135 HydrophobicContact CE2-CZ 4.47Å; F61-F135 AromaticContact CZ-CD1 3.92Å; F61-F135 HydrophobicContact CZ-CD1 3.92Å; F61-F135 AromaticContact CZ-CE1 3.55Å; F61-F135 HydrophobicContact CZ-CE1 3.55Å; F61-A165 HydrophobicContact CE1-CB 3.89Å; F61-A165 VanDerWaalsContact CE1-O 3.29Å; F61-A165 WeakPolarHBondContact CE1-O 3.48Å; F61-A165 HydrophobicContact CZ-CB 4.37Å
62E95Very high91.2Very high13 Ų1360.5 Ų60.56%0.06132%0.317CS..Hα-helixtrans-57.3-47.7173.3-75.6-173.6-135.200112K48 V58 L59 F64 V65 L66 F162 G163K48-E62 IonicContact NZ-OE1 2.77Å; K48-E62 PolarHBondContact NZ-OE1 3.23Å; K48-E62 IonicContact NZ-OE2 3.62Å; K48-E62 PolarHBondContact NZ-OE2 3.27Å; V58-E62 HydrophobicContact CG1-CG 4.33Å; V58-E62 WeakPolarHBondContact CG1-OE1 3.23Å; V58-E62 PolarHBondContact O-N 3.2Å; L59-E62 PolarHBondContact O-N 3.08Å; E62-F64 VanDerWaalsContact C-N 3.32Å; E62-F64 PolarHBondContact O-N 3.26Å; E62-V65 PolarHBondContact O-N 3.07Å; E62-L66 WeakPolarHBondContact O-CB 3.11Å; E62-L66 PolarHBondContact O-N 3.44Å; E62-F162 HydrophobicContact CG-CB 4.23Å; E62-G163 WeakPolarHBondContact OE1-CA 3.46Å
63A96.5Very high91.8Very high0 Ų063.1 Ų63.10%033%0.332CS..Hα-helixtrans-59.5-43176.100000111.8L59 F61 V65 L66 Q67 Y78 M81 L90L59-A63 WeakPolarHBondContact O-CB 3.27Å; L59-A63 PolarHBondContact O-N 3.4Å; F61-A63 VanDerWaalsContact C-N 3.35Å; F61-A63 PolarHBondContact O-N 2.83Å; A63-V65 PolarHBondContact O-N 2.88Å; A63-L66 PolarHBondContact O-N 2.56Å; A63-Q67 WeakPolarHBondContact O-CB 3.38Å; A63-Q67 VanDerWaalsContact O-CG 3.24Å; A63-Q67 WeakPolarHBondContact O-CG 3.48Å; A63-Q67 PolarHBondContact O-N 3.44Å; A63-Y78 HydrophobicContact CB-CE2 4.23Å; A63-M81 HydrophobicContact CB-CB 4.45Å; A63-M81 HydrophobicContact CB-CE 3.83Å; A63-M81 HydrophobicContact CB-CG 4.35Å; A63-M81 HydrophobicContact CB-SD 3.28Å; A63-M81 WeakPolarHBondContact CB-SD 3.48Å; A63-L90 HydrophobicContact CB-CD1 3.89Å; A63-L90 HydrophobicContact CB-CD2 4.31Å
64F96.9Very high92.5Very high91 Ų9160.6 Ų60.640%0.39931%0.313SS..Hα-helixtrans-60.2-45.5176.7172.6-96.1000112.4K60 F61 E62 Q67 R68 F135K60-F64 WeakPolarHBondContact O-CB 3.47Å; K60-F64 PolarHBondContact O-N 3.07Å; F61-F64 WeakPolarHBondContact O-CB 3.48Å; F61-F64 PolarHBondContact O-N 3.33Å; E62-F64 VanDerWaalsContact C-N 3.32Å; E62-F64 PolarHBondContact O-N 3.26Å; F64-Q67 PolarHBondContact O-N 3.33Å; F64-R68 HydrophobicContact CE1-CG 4.47Å; F64-R68 HydrophobicContact CZ-CG 4.33Å; F64-R68 WeakPolarHBondContact O-CG 3.46Å; F64-R68 PolarHBondContact O-N 2.96Å; F64-F135 HydrophobicContact CD1-CZ 4.3Å; F64-F135 HydrophobicContact CE1-CE2 4.11Å; F64-F135 AromaticContact CE1-CZ 3.7Å; F64-F135 HydrophobicContact CE1-CZ 3.7Å
65V97.8Very high93.3Very high0 Ų059.4 Ų59.40%030%0.302CS..Hα-helixtrans-65-47.1177.6175.60000110.2F61 E62 A63 Q67 R68 L69 I130 I133 F135 F162F61-V65 HydrophobicContact CD1-CG2 4.44Å; F61-V65 HydrophobicContact CE1-CG2 4.02Å; F61-V65 HydrophobicContact CE2-CG2 4.21Å; F61-V65 HydrophobicContact CZ-CG2 3.9Å; F61-V65 WeakPolarHBondContact O-CG2 3.43Å; F61-V65 PolarHBondContact O-N 2.85Å; E62-V65 PolarHBondContact O-N 3.07Å; A63-V65 PolarHBondContact O-N 2.88Å; V65-Q67 VanDerWaalsContact C-N 3.32Å; V65-Q67 PolarHBondContact O-N 3.49Å; V65-R68 PolarHBondContact O-N 2.78Å; V65-R68 VanDerWaalsContact O-N 3.12Å; V65-L69 HydrophobicContact CG1-CD1 3.68Å; V65-L69 WeakPolarHBondContact O-CD1 3.47Å; V65-L69 WeakPolarHBondContact O-CG 3.49Å; V65-L69 PolarHBondContact O-N 3.15Å; V65-L69 VanDerWaalsContact O-N 3.17Å; V65-I130 HydrophobicContact CG1-CD1 4.39Å; V65-I133 HydrophobicContact CG1-CD1 4.38Å; V65-F135 HydrophobicContact CG2-CD1 3.86Å; V65-F135 HydrophobicContact CG2-CE1 3.92Å; V65-F135 HydrophobicContact CG2-CG 4.28Å; V65-F135 HydrophobicContact CG2-CZ 4.38Å; V65-F162 HydrophobicContact CB-CB 4.01Å; V65-F162 HydrophobicContact CB-CD2 4.33Å; V65-F162 HydrophobicContact CB-CG 4.14Å; V65-F162 HydrophobicContact CG1-CB 3.91Å; V65-F162 HydrophobicContact CG1-CD1 3.99Å; V65-F162 HydrophobicContact CG1-CD2 4.13Å; V65-F162 HydrophobicContact CG1-CG 3.7Å; V65-F162 HydrophobicContact CG2-CB 4.5Å
66L98.4Very high94.5Very high3 Ų347.2 Ų47.22%0.01626%0.256CS..Hα-helixtrans-59.2-41.6178-177.962.7000112.1E62 A63 R68 L69 Q70 L76 Y78 L90 M92 F162E62-L66 WeakPolarHBondContact O-CB 3.11Å; E62-L66 PolarHBondContact O-N 3.44Å; A63-L66 PolarHBondContact O-N 2.56Å; L66-R68 VanDerWaalsContact C-N 3.34Å; L66-R68 PolarHBondContact O-N 3.43Å; L66-L69 PolarHBondContact O-N 2.74Å; L66-L69 VanDerWaalsContact O-N 3.13Å; L66-Q70 PolarHBondContact O-N 3.06Å; L66-Q70 PolarHBondContact O-NE2 3.38Å; L66-L76 WeakPolarHBondContact CD1-O 3.44Å; L66-Y78 HydrophobicContact CD2-CD2 4.28Å; L66-L90 HydrophobicContact CD2-CD1 4.47Å; L66-L90 HydrophobicContact CD2-CD2 4.33Å; L66-M92 HydrophobicContact CD2-CB 4.04Å; L66-M92 HydrophobicContact CD2-SD 4.14Å; L66-F162 HydrophobicContact CB-CD2 4.22Å; L66-F162 HydrophobicContact CB-CE2 3.98Å; L66-F162 HydrophobicContact CD1-CE2 3.86Å; L66-F162 HydrophobicContact CD1-CZ 4.49Å; L66-F162 HydrophobicContact CG-CE2 4.47Å
67Q98.2Very high95.7Very high88 Ų8850.1 Ų50.141%0.41126%0.261SS..Hα-helixtrans-61.1-40.1175.7-79.2179.6-36.800112.3A63 F64 V65 L69 Q70 Y78A63-Q67 WeakPolarHBondContact O-CB 3.38Å; A63-Q67 VanDerWaalsContact O-CG 3.24Å; A63-Q67 WeakPolarHBondContact O-CG 3.48Å; A63-Q67 PolarHBondContact O-N 3.44Å; F64-Q67 PolarHBondContact O-N 3.33Å; V65-Q67 VanDerWaalsContact C-N 3.32Å; V65-Q67 PolarHBondContact O-N 3.49Å; Q67-L69 PolarHBondContact O-N 3.22Å; Q67-Q70 WeakPolarHBondContact O-CG 3.39Å; Q67-Q70 PolarHBondContact O-N 3.32Å; Q67-Y78 HydrophobicContact CG-CD1 4.17Å; Q67-Y78 HydrophobicContact CG-CD2 3.63Å; Q67-Y78 HydrophobicContact CG-CE1 4.27Å; Q67-Y78 HydrophobicContact CG-CE2 3.72Å; Q67-Y78 HydrophobicContact CG-CG 3.86Å; Q67-Y78 PolarHBondContact NE2-OH 2.84Å
68R98Very high96.6Very high136 Ų13650.5 Ų50.551%0.51325%0.253SS..Hα-helixtrans-69.3-20.4176.1-70.6-171.569.583.63.3113.6F64 V65 L66 I133F64-R68 HydrophobicContact CE1-CG 4.47Å; F64-R68 HydrophobicContact CZ-CG 4.33Å; F64-R68 WeakPolarHBondContact O-CG 3.46Å; F64-R68 PolarHBondContact O-N 2.96Å; V65-R68 PolarHBondContact O-N 2.78Å; V65-R68 VanDerWaalsContact O-N 3.12Å; L66-R68 VanDerWaalsContact C-N 3.34Å; L66-R68 PolarHBondContact O-N 3.43Å; R68-I133 HydrophobicContact CB-CD1 3.67Å
69L98.6Very high97Very high0 Ų052.5 Ų52.50%026%0.257CS..THydrogen-bonded Turntrans-91.4-2.5179.1-68.3161.6000113V65 L66 Q67 G71 K72 F75 I130 I133 F162V65-L69 HydrophobicContact CG1-CD1 3.68Å; V65-L69 WeakPolarHBondContact O-CD1 3.47Å; V65-L69 WeakPolarHBondContact O-CG 3.49Å; V65-L69 PolarHBondContact O-N 3.15Å; V65-L69 VanDerWaalsContact O-N 3.17Å; L66-L69 PolarHBondContact O-N 2.74Å; L66-L69 VanDerWaalsContact O-N 3.13Å; Q67-L69 PolarHBondContact O-N 3.22Å; L69-G71 PolarHBondContact O-N 3.1Å; L69-K72 VanDerWaalsContact O-CB 3.25Å; L69-K72 WeakPolarHBondContact O-CB 3.44Å; L69-K72 WeakPolarHBondContact O-CG 3.46Å; L69-K72 PolarHBondContact O-N 3.32Å; L69-K72 VanDerWaalsContact O-N 3.1Å; L69-F75 HydrophobicContact CB-CB 4.09Å; L69-F75 HydrophobicContact CB-CD1 4.01Å; L69-F75 HydrophobicContact CB-CD2 4.18Å; L69-F75 HydrophobicContact CB-CE1 4.49Å; L69-F75 HydrophobicContact CB-CG 3.8Å; L69-F75 HydrophobicContact CD1-CD1 3.57Å; L69-F75 HydrophobicContact CD1-CE1 3.54Å; L69-F75 HydrophobicContact CD1-CG 4.24Å; L69-F75 HydrophobicContact CD1-CZ 4.2Å; L69-F75 HydrophobicContact CD2-CD1 4.27Å; L69-F75 HydrophobicContact CD2-CD2 4.25Å; L69-F75 HydrophobicContact CD2-CE1 3.9Å; L69-F75 HydrophobicContact CD2-CE2 3.88Å; L69-F75 HydrophobicContact CD2-CG 4.39Å; L69-F75 HydrophobicContact CD2-CZ 3.67Å; L69-F75 HydrophobicContact CG-CD1 4.13Å; L69-F75 HydrophobicContact CG-CE1 4.16Å; L69-F75 HydrophobicContact CG-CG 4.34Å; L69-F75 HydrophobicContact CG-CZ 4.4Å; L69-I130 HydrophobicContact CD1-CG1 4.44Å; L69-I130 HydrophobicContact CD2-CB 4.37Å; L69-I133 HydrophobicContact CD1-CD1 4.22Å; L69-I133 HydrophobicContact CD2-CD1 3.6Å; L69-I133 HydrophobicContact CD2-CG1 3.96Å; L69-I133 HydrophobicContact CD2-CG2 4.44Å; L69-I133 HydrophobicContact CG-CD1 3.59Å; L69-I133 HydrophobicContact CG-CG1 4.49Å; L69-F162 HydrophobicContact CD1-CE1 4Å; L69-F162 HydrophobicContact CD1-CE2 4.35Å; L69-F162 HydrophobicContact CD1-CZ 3.92Å
70Q98.4Very high97.2Very high77 Ų7753.8 Ų53.836%0.3626%0.264SS..THydrogen-bonded Turntrans-61.2137.9179.3-62.8-56.3-70.600111.2L66 Q67 K72 L76L66-Q70 PolarHBondContact O-N 3.06Å; L66-Q70 PolarHBondContact O-NE2 3.38Å; Q67-Q70 WeakPolarHBondContact O-CG 3.39Å; Q67-Q70 PolarHBondContact O-N 3.32Å; Q70-K72 VanDerWaalsContact C-N 3.33Å; Q70-L76 PolarHBondContact NE2-O 3.02Å; Q70-L76 VanDerWaalsContact NE2-O 3.08Å
71G97.4Very high97.3Very high85 Ų8551.3 Ų51.388%0.87626%0.255SS*.THydrogen-bonded Turntrans88.6-8-173.600000114.5L69L69-G71 PolarHBondContact O-N 3.1Å
72K98.3Very high97.4Very high75 Ų7550.3 Ų50.333%0.32625%0.253SS..  trans-87146.1170.6-59.4-61.6-163.7151.20110.8L69 Q70 H74 F75 D129L69-K72 VanDerWaalsContact O-CB 3.25Å; L69-K72 WeakPolarHBondContact O-CB 3.44Å; L69-K72 WeakPolarHBondContact O-CG 3.46Å; L69-K72 PolarHBondContact O-N 3.32Å; L69-K72 VanDerWaalsContact O-N 3.1Å; Q70-K72 VanDerWaalsContact C-N 3.33Å; K72-H74 PolarHBondContact O-N 2.93Å; K72-F75 HydrophobicContact CB-CD2 3.42Å; K72-F75 VanDerWaalsContact CB-CD2 3.42Å; K72-F75 HydrophobicContact CB-CE2 3.8Å; K72-F75 HydrophobicContact CG-CD2 4.43Å; K72-D129 HydrophobicContact CB-CB 4.49Å; K72-D129 HydrophobicContact CD-CB 4.31Å; K72-D129 HydrophobicContact CG-CB 4.3Å; K72-D129 IonicContact NZ-OD1 3.37Å; K72-D129 PolarHBondContact NZ-OD1 3.24Å
73T98.2Very high97.3Very high92 Ų9252.2 Ų52.256%0.56427%0.265SS*.THydrogen-bonded Turntrans-62.6-46.6-169.8-540000113.7F75 T156T73-F75 VanDerWaalsContact C-N 3.27Å; T73-F75 PolarHBondContact O-N 3.28Å; T73-T156 HydrophobicContact CG2-CG2 4.12Å
74H98.8Very high97.1Very high7 Ų754.8 Ų54.83%0.03228%0.277CS..THydrogen-bonded Turntrans-92.327.2-167.5-58-64.5000113.7K72 Q122 E125 A126 L157 Y158 M159K72-H74 PolarHBondContact O-N 2.93Å; H74-Q122 PolarHBondContact CE1-OE1 2.76Å; H74-Q122 VanDerWaalsContact CE1-OE1 3.28Å; H74-E125 IonicContact CE1-OE2 3.07Å; H74-E125 IonicContact NE2-OE2 2.83Å; H74-E125 PolarHBondContact NE2-OE2 3Å; H74-A126 HydrophobicContact CB-CB 3.53Å; H74-L157 WeakPolarHBondContact CA-O 3.44Å; H74-L157 VanDerWaalsContact CB-O 3.25Å; H74-L157 WeakPolarHBondContact CB-O 3.33Å; H74-L157 PolarHBondContact ND1-O 2.93Å; H74-Y158 CarbonylContact O-C 3.58Å; H74-Y158 WeakPolarHBondContact O-CA 3.46Å; H74-M159 PolarHBondContact O-N 2.81Å
75F98.6Very high96.8Very high9 Ų958.5 Ų58.54%0.03930%0.296CS..BIsolated β-bridgetrans-132.6135.2-176-57.9-83.1000110.6L69 K72 T73 A126 D129 I130 M159 F162L69-F75 HydrophobicContact CB-CB 4.09Å; L69-F75 HydrophobicContact CB-CD1 4.01Å; L69-F75 HydrophobicContact CB-CD2 4.18Å; L69-F75 HydrophobicContact CB-CE1 4.49Å; L69-F75 HydrophobicContact CB-CG 3.8Å; L69-F75 HydrophobicContact CD1-CD1 3.57Å; L69-F75 HydrophobicContact CD1-CE1 3.54Å; L69-F75 HydrophobicContact CD1-CG 4.24Å; L69-F75 HydrophobicContact CD1-CZ 4.2Å; L69-F75 HydrophobicContact CD2-CD1 4.27Å; L69-F75 HydrophobicContact CD2-CD2 4.25Å; L69-F75 HydrophobicContact CD2-CE1 3.9Å; L69-F75 HydrophobicContact CD2-CE2 3.88Å; L69-F75 HydrophobicContact CD2-CG 4.39Å; L69-F75 HydrophobicContact CD2-CZ 3.67Å; L69-F75 HydrophobicContact CG-CD1 4.13Å; L69-F75 HydrophobicContact CG-CE1 4.16Å; L69-F75 HydrophobicContact CG-CG 4.34Å; L69-F75 HydrophobicContact CG-CZ 4.4Å; K72-F75 HydrophobicContact CB-CD2 3.42Å; K72-F75 VanDerWaalsContact CB-CD2 3.42Å; K72-F75 HydrophobicContact CB-CE2 3.8Å; K72-F75 HydrophobicContact CG-CD2 4.43Å; T73-F75 VanDerWaalsContact C-N 3.27Å; T73-F75 PolarHBondContact O-N 3.28Å; F75-A126 HydrophobicContact CZ-CB 4.37Å; F75-A126 WeakPolarHBondContact CZ-O 3.4Å; F75-D129 HydrophobicContact CE2-CB 3.62Å; F75-D129 HydrophobicContact CZ-CB 4.06Å; F75-I130 HydrophobicContact CZ-CB 4.31Å; F75-M159 HydrophobicContact CD1-CB 4.29Å; F75-M159 HydrophobicContact CE1-CB 3.92Å; F75-M159 HydrophobicContact CE1-CG 4.3Å; F75-M159 HydrophobicContact CE1-SD 3.83Å; F75-M159 HydrophobicContact CZ-SD 4.33Å; F75-F162 HydrophobicContact CD1-CE1 4.26Å; F75-F162 AromaticContact CD1-CZ 3.83Å; F75-F162 HydrophobicContact CD1-CZ 3.83Å; F75-F162 HydrophobicContact CE1-CE1 4.13Å; F75-F162 HydrophobicContact CE1-CZ 4.17Å
76L97.7Very high96.4Very high3 Ų362.4 Ų62.42%0.01632%0.317CS..PPolyproline II helixtrans-61.7147.9-179.1-67.5174.8000110.6L66 Q70 Y78 M92 Q93 A95 Y158 L160L66-L76 WeakPolarHBondContact CD1-O 3.44Å; Q70-L76 PolarHBondContact NE2-O 3.02Å; Q70-L76 VanDerWaalsContact NE2-O 3.08Å; L76-Y78 PolarHBondContact O-N 3.18Å; L76-M92 HydrophobicContact CD1-CE 4.28Å; L76-M92 HydrophobicContact CD1-CG 4.39Å; L76-M92 HydrophobicContact CD1-SD 4.17Å; L76-Q93 HydrophobicContact CB-CB 4.06Å; L76-Q93 WeakPolarHBondContact CD1-O 3.5Å; L76-Q93 HydrophobicContact CD2-CB 3.94Å; L76-Q93 HydrophobicContact CD2-CG 3.92Å; L76-A95 HydrophobicContact CD1-CB 4.32Å; L76-A95 HydrophobicContact CD2-CB 4.08Å; L76-Y158 HydrophobicContact CD2-CD1 3.77Å; L76-Y158 HydrophobicContact CD2-CD2 4.15Å; L76-Y158 HydrophobicContact CD2-CE1 4.26Å; L76-Y158 HydrophobicContact CD2-CG 3.7Å; L76-Y158 HydrophobicContact CG-CD1 4.21Å; L76-Y158 HydrophobicContact CG-CG 4.3Å; L76-L160 HydrophobicContact CD1-CD2 3.42Å; L76-L160 VanDerWaalsContact CD1-CD2 3.42Å; L76-L160 HydrophobicContact CG-CD2 4.04Å
77K97.2Very high96.1Very high123 Ų12362.7 Ų62.754%0.53532%0.318SS..PPolyproline II helixtrans-64.4131.2172.8-63.3176.2-177.7174.80110.1Y79 M92 Q93K77-Y79 HydrophobicContact CB-CD1 4.11Å; K77-Y79 HydrophobicContact CB-CE1 3.45Å; K77-Y79 VanDerWaalsContact CB-CE1 3.45Å; K77-Y79 HydrophobicContact CD-CE1 4.27Å; K77-M92 CarbonylContact O-C 3.58Å; K77-M92 WeakPolarHBondContact O-CA 3.4Å; K77-M92 WeakPolarHBondContact O-CB 3.49Å; K77-Q93 HydrophobicContact CB-CB 4.13Å; K77-Q93 PolarHBondContact O-N 3Å
78Y97.7Very high95.9Very high53 Ų5359.3 Ų59.321%0.20830%0.302CS..EExtended strand (participates in β ladder)trans-77.6131.1167.9173.2-84.7000109A63 L66 Q67 L76 M81 L90A63-Y78 HydrophobicContact CB-CE2 4.23Å; L66-Y78 HydrophobicContact CD2-CD2 4.28Å; Q67-Y78 HydrophobicContact CG-CD1 4.17Å; Q67-Y78 HydrophobicContact CG-CD2 3.63Å; Q67-Y78 HydrophobicContact CG-CE1 4.27Å; Q67-Y78 HydrophobicContact CG-CE2 3.72Å; Q67-Y78 HydrophobicContact CG-CG 3.86Å; Q67-Y78 PolarHBondContact NE2-OH 2.84Å; L76-Y78 PolarHBondContact O-N 3.18Å; Y78-M81 HydrophobicContact CE2-CB 4.16Å; Y78-M81 WeakPolarHBondContact OH-CB 3.4Å; Y78-M81 PolarHBondContact OH-N 2.85Å; Y78-L90 HydrophobicContact CD2-CD1 3.62Å; Y78-L90 HydrophobicContact CE2-CD1 3.47Å; Y78-L90 VanDerWaalsContact CE2-CD1 3.47Å
79Y96.6Very high95.8Very high74 Ų7452.8 Ų52.829%0.2928%0.277SS..EExtended strand (participates in β ladder)trans-110.9-48.7177.9-60.4-27.4000112.8W18 K77 V91 M92 Q93W18-Y79 HydrophobicContact CH2-CD2 4.03Å; W18-Y79 HydrophobicContact CH2-CG 4.21Å; W18-Y79 HydrophobicContact CZ3-CD2 4.47Å; K77-Y79 HydrophobicContact CB-CD1 4.11Å; K77-Y79 HydrophobicContact CB-CE1 3.45Å; K77-Y79 VanDerWaalsContact CB-CE1 3.45Å; K77-Y79 HydrophobicContact CD-CE1 4.27Å; Y79-V91 WeakPolarHBondContact CA-O 3.45Å; Y79-V91 WeakPolarHBondContact CB-O 3.37Å; Y79-V91 HydrophobicContact CD2-CG1 4.13Å; Y79-V91 PolarHBondContact N-O 2.99Å; Y79-M92 VanDerWaalsContact CD2-C 3.49Å; Y79-M92 VanDerWaalsContact CE2-C 3.48Å; Y79-Q93 HydrophobicContact CE2-CB 4.4Å
80D96.2Very high95.7Very high28 Ų2852.9 Ų52.915%0.1528%0.278CS..EExtended strand (participates in β ladder)trans-162.1157.6-174.7-164.89.9000111.7W18 L90 V91W18-D80 HydrophobicContact CZ2-CB 3.82Å; W18-D80 PolarHBondContact NE1-OD2 3.36Å; D80-L90 WeakPolarHBondContact O-CD1 3.32Å; D80-V91 HydrophobicContact CB-CB 4.21Å; D80-V91 HydrophobicContact CB-CG2 4.25Å; D80-V91 PolarHBondContact N-O 3.09Å; D80-V91 VanDerWaalsContact N-O 3.13Å; D80-V91 PolarHBondContact O-N 3.03Å
81M95.7Very high95.6Very high54 Ų5449.2 Ų49.227%0.26626%0.261SS..EExtended strand (participates in β ladder)trans-145.6128.1166.2178.917857.100108.1K60 A63 Y78 Y89 L90K60-M81 HydrophobicContact CG-SD 4.33Å; A63-M81 HydrophobicContact CB-CB 4.45Å; A63-M81 HydrophobicContact CB-CE 3.83Å; A63-M81 HydrophobicContact CB-CG 4.35Å; A63-M81 HydrophobicContact CB-SD 3.28Å; A63-M81 WeakPolarHBondContact CB-SD 3.48Å; Y78-M81 HydrophobicContact CE2-CB 4.16Å; Y78-M81 WeakPolarHBondContact OH-CB 3.4Å; Y78-M81 PolarHBondContact OH-N 2.85Å; M81-Y89 VanDerWaalsContact CA-O 3.31Å; M81-Y89 WeakPolarHBondContact CA-O 3.45Å; M81-Y89 WeakPolarHBondContact CG-O 3.44Å; M81-L90 HydrophobicContact CB-CD1 4.46Å
82N95.4Very high95.6Very high46 Ų4646.1 Ų46.125%0.24622%0.224CC..EExtended strand (participates in β ladder)trans-147.4179.9-179.8-136.7-58.5000112.5R15 Y89R15-N82 PolarHBondContact NE-OD1 3.35Å; R15-N82 PolarHBondContact NH2-OD1 3.48Å; N82-Y89 HydrophobicContact CB-CE1 3.75Å; N82-Y89 HydrophobicContact CB-CE2 3.95Å; N82-Y89 VanDerWaalsContact CB-OH 3.24Å; N82-Y89 WeakPolarHBondContact CB-OH 3.34Å; N82-Y89 PolarHBondContact N-O 3.09Å; N82-Y89 PolarHBondContact O-N 3.32Å
83T93.6Very high95.5Very high52 Ų5243.4 Ų43.432%0.31921%0.212SC..EExtended strand (participates in β ladder)trans-134.1130.7168.6-58.30000108.1R15 V87R15-T83 PolarHBondContact NH2-O 2.76Å; T83-V87 VanDerWaalsContact CA-O 3.32Å; T83-V87 WeakPolarHBondContact CA-O 3.48Å
84Q92.8Very high95.3Very high54 Ų5439.6 Ų39.625%0.25219%0.188SC..EExtended strand (participates in β ladder)trans-132.1125.3174.3176.2172.9-20.100107.6M14 N86 V87M14-Q84 HydrophobicContact CE-CB 3.9Å; M14-Q84 HydrophobicContact CE-CG 4.4Å; Q84-N86 PolarHBondContact O-N 2.92Å; Q84-V87 PolarHBondContact N-O 3.47Å; Q84-V87 PolarHBondContact O-N 3.19Å
85E89.2Confident95.1Very high169 Ų16939.4 Ų39.479%0.7919%0.188SC*.THydrogen-bonded Turntrans51.8-122.2-173-59.9172.3-168.100110.9
86N89.7Confident94.9Very high83 Ų8339.5 Ų39.544%0.44419%0.191SC..THydrogen-bonded Turntrans-93.16.3178.267.7-18.3000113.4S52 Q84S52-N86 VanDerWaalsContact CB-O 3.32Å; S52-N86 WeakPolarHBondContact CB-O 3.25Å; S52-N86 PolarHBondContact N-O 3.48Å; S52-N86 VanDerWaalsContact OG-C 3.32Å; S52-N86 VanDerWaalsContact OG-CA 3.28Å; S52-N86 WeakPolarHBondContact OG-CA 3.2Å; S52-N86 PolarHBondContact OG-O 3.07Å; Q84-N86 PolarHBondContact O-N 2.92Å
87V92.1Very high94.7Very high8 Ų841.1 Ų41.15%0.04820%0.197CC..EExtended strand (participates in β ladder)trans-109.1121.2-174.5-171.40000111P6 L8 M14 T49 T83 Q84P6-V87 HydrophobicContact CB-CB 4.39Å; P6-V87 HydrophobicContact CB-CG1 3.83Å; P6-V87 HydrophobicContact CB-CG2 3.73Å; P6-V87 HydrophobicContact CG-CG1 4.03Å; P6-V87 HydrophobicContact CG-CG2 4.15Å; L8-V87 HydrophobicContact CD2-CG2 4.36Å; M14-V87 HydrophobicContact CE-CB 4.2Å; M14-V87 HydrophobicContact CE-CG1 4.26Å; T49-V87 HydrophobicContact CG2-CG1 4.16Å; T83-V87 VanDerWaalsContact CA-O 3.32Å; T83-V87 WeakPolarHBondContact CA-O 3.48Å; Q84-V87 PolarHBondContact N-O 3.47Å; Q84-V87 PolarHBondContact O-N 3.19Å
88R93.7Very high94.6Very high17 Ų1735.3 Ų35.36%0.06417%0.172CC..EExtended strand (participates in β ladder)trans-95137.5165.2-174.5-179.6-58.7125.711.2108.8T49 E50 S52 L59T49-R88 CarbonylContact C-O 3.58Å; T49-R88 VanDerWaalsContact CA-O 3.27Å; T49-R88 WeakPolarHBondContact CA-O 3.48Å; E50-R88 HydrophobicContact CG-CB 3.96Å; E50-R88 HydrophobicContact CG-CG 4.42Å; E50-R88 PolarHBondContact N-O 3.42Å; E50-R88 PolarHBondContact O-N 2.96Å; E50-R88 VanDerWaalsContact OE1-CD 3.31Å; E50-R88 WeakPolarHBondContact OE1-CD 3.49Å; E50-R88 IonicContact OE1-CZ 3.57Å; E50-R88 IonicContact OE1-NE 2.74Å; E50-R88 IonicContact OE1-NH1 3.3Å; E50-R88 PolarHBondContact OE1-NH1 3.3Å; S52-R88 PolarHBondContact O-NH2 2.82Å; L59-R88 HydrophobicContact CD2-CG 4.29Å
89Y95.4Very high94.5Very high0 Ų032.8 Ų32.80%016%0.162CC..EExtended strand (participates in β ladder)trans-141.2149.2179.967.8-97.2000112.6M14 R15 W18 M47 K48 M81 N82 V91M14-Y89 HydrophobicContact CB-CE1 4.04Å; M14-Y89 HydrophobicContact CE-CD1 3.7Å; M14-Y89 HydrophobicContact CE-CE1 3.82Å; R15-Y89 WeakPolarHBondContact CB-OH 3.47Å; R15-Y89 WeakPolarHBondContact CG-OH 3.5Å; W18-Y89 AromaticContact CD1-CE2 3.96Å; M47-Y89 HydrophobicContact CE-CD2 3.76Å; M47-Y89 HydrophobicContact CE-CE2 4.03Å; M47-Y89 HydrophobicContact CE-CG 4.12Å; M47-Y89 HydrophobicContact CG-CD2 4.21Å; M47-Y89 HydrophobicContact CG-CG 4.26Å; M47-Y89 HydrophobicContact SD-CD2 4.23Å; M47-Y89 HydrophobicContact SD-CG 4.07Å; K48-Y89 CarbonylContact O-C 3.56Å; K48-Y89 WeakPolarHBondContact O-CA 2.99Å; M81-Y89 VanDerWaalsContact CA-O 3.31Å; M81-Y89 WeakPolarHBondContact CA-O 3.45Å; M81-Y89 WeakPolarHBondContact CG-O 3.44Å; N82-Y89 HydrophobicContact CB-CE1 3.75Å; N82-Y89 HydrophobicContact CB-CE2 3.95Å; N82-Y89 VanDerWaalsContact CB-OH 3.24Å; N82-Y89 WeakPolarHBondContact CB-OH 3.34Å; N82-Y89 PolarHBondContact N-O 3.09Å; N82-Y89 PolarHBondContact O-N 3.32Å; Y89-V91 HydrophobicContact CD2-CG2 3.61Å; Y89-V91 HydrophobicContact CE2-CG2 3.73Å
90L96.2Very high94.5Very high2 Ų229.4 Ų29.41%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-118.4128.6170.6165.166.2000107.4M47 K48 L59 A63 L66 Y78 D80 M81 M92M47-L90 CarbonylContact C-O 3.5Å; M47-L90 VanDerWaalsContact CA-O 3.31Å; M47-L90 WeakPolarHBondContact CA-O 3.46Å; K48-L90 PolarHBondContact N-O 3.04Å; K48-L90 PolarHBondContact O-N 2.91Å; L59-L90 HydrophobicContact CD1-CB 3.78Å; L59-L90 HydrophobicContact CD1-CD2 4.16Å; L59-L90 HydrophobicContact CD2-CB 4.19Å; L59-L90 HydrophobicContact CG-CB 3.89Å; A63-L90 HydrophobicContact CB-CD1 3.89Å; A63-L90 HydrophobicContact CB-CD2 4.31Å; L66-L90 HydrophobicContact CD2-CD1 4.47Å; L66-L90 HydrophobicContact CD2-CD2 4.33Å; Y78-L90 HydrophobicContact CD2-CD1 3.62Å; Y78-L90 HydrophobicContact CE2-CD1 3.47Å; Y78-L90 VanDerWaalsContact CE2-CD1 3.47Å; D80-L90 WeakPolarHBondContact O-CD1 3.32Å; M81-L90 HydrophobicContact CB-CD1 4.46Å; L90-M92 HydrophobicContact CD2-SD 4.35Å
91V97.4Very high94.3Very high0 Ų029 Ų290%015%0.147CC..EExtended strand (participates in β ladder)trans-109.2130.1174.2-1630000109.8W18 V35 A46 M47 Y79 D80 Y89W18-V91 HydrophobicContact CD2-CB 4.34Å; W18-V91 HydrophobicContact CD2-CG1 3.94Å; W18-V91 HydrophobicContact CD2-CG2 3.93Å; W18-V91 HydrophobicContact CE3-CG1 3.76Å; W18-V91 HydrophobicContact CG-CG2 4.04Å; W18-V91 HydrophobicContact CH2-CB 4.37Å; W18-V91 HydrophobicContact CH2-CG1 3.76Å; W18-V91 HydrophobicContact CZ2-CB 4.07Å; W18-V91 HydrophobicContact CZ2-CG1 3.93Å; W18-V91 HydrophobicContact CZ2-CG2 4.34Å; W18-V91 HydrophobicContact CZ3-CG1 3.64Å; V35-V91 HydrophobicContact CG2-CG1 3.73Å; A46-V91 WeakPolarHBondContact O-CA 3.33Å; M47-V91 HydrophobicContact CB-CG2 4.41Å; M47-V91 HydrophobicContact CE-CG2 3.84Å; M47-V91 HydrophobicContact CG-CG2 4.27Å; Y79-V91 WeakPolarHBondContact CA-O 3.45Å; Y79-V91 WeakPolarHBondContact CB-O 3.37Å; Y79-V91 HydrophobicContact CD2-CG1 4.13Å; Y79-V91 PolarHBondContact N-O 2.99Å; D80-V91 HydrophobicContact CB-CB 4.21Å; D80-V91 HydrophobicContact CB-CG2 4.25Å; D80-V91 PolarHBondContact N-O 3.09Å; D80-V91 VanDerWaalsContact N-O 3.13Å; D80-V91 PolarHBondContact O-N 3.03Å; Y89-V91 HydrophobicContact CD2-CG2 3.61Å; Y89-V91 HydrophobicContact CE2-CG2 3.73Å
92M97.1Very high94.2Very high20 Ų2026.6 Ų26.610%0.09914%0.135CC..EExtended strand (participates in β ladder)trans-143.2171-178.563.5-168.8-177.800111.3G45 A46 L66 L76 K77 Y79 L90 L94 Y315G45-M92 CarbonylContact C-O 3.57Å; G45-M92 WeakPolarHBondContact CA-O 3.29Å; A46-M92 HydrophobicContact CB-CE 4.38Å; A46-M92 HydrophobicContact CB-CG 4.24Å; A46-M92 PolarHBondContact N-O 3.03Å; A46-M92 PolarHBondContact O-N 2.97Å; L66-M92 HydrophobicContact CD2-CB 4.04Å; L66-M92 HydrophobicContact CD2-SD 4.14Å; L76-M92 HydrophobicContact CD1-CE 4.28Å; L76-M92 HydrophobicContact CD1-CG 4.39Å; L76-M92 HydrophobicContact CD1-SD 4.17Å; K77-M92 CarbonylContact O-C 3.58Å; K77-M92 WeakPolarHBondContact O-CA 3.4Å; K77-M92 WeakPolarHBondContact O-CB 3.49Å; Y79-M92 VanDerWaalsContact CD2-C 3.49Å; Y79-M92 VanDerWaalsContact CE2-C 3.48Å; L90-M92 HydrophobicContact CD2-SD 4.35Å; M92-L94 PolarHBondContact O-N 3.41Å; M92-Y315 HydrophobicContact CE-CE1 4.25Å
93Q95.9Very high94.2Very high18 Ų1824.9 Ų24.98%0.08413%0.125CC..EExtended strand (participates in β ladder)trans-52.1135.9172.3177.8179.51.100111L76 K77 Y79 A95 D153L76-Q93 HydrophobicContact CB-CB 4.06Å; L76-Q93 WeakPolarHBondContact CD1-O 3.5Å; L76-Q93 HydrophobicContact CD2-CB 3.94Å; L76-Q93 HydrophobicContact CD2-CG 3.92Å; K77-Q93 HydrophobicContact CB-CB 4.13Å; K77-Q93 PolarHBondContact O-N 3Å; Y79-Q93 HydrophobicContact CE2-CB 4.4Å; Q93-A95 PolarHBondContact O-N 3.11Å; Q93-D153 PolarHBondContact NE2-OD2 2.94Å
94L95.2Very high94.2Very high11 Ų1127.9 Ų27.96%0.05813%0.131CC..PPolyproline II helixtrans-79.4117.3173.7-178.751.3000109.5L24 T34 E44 A46 M92 R149 P314 Y315L24-L94 HydrophobicContact CD1-CD1 3.92Å; T34-L94 HydrophobicContact CG2-CD2 3.8Å; E44-L94 HydrophobicContact CB-CD2 4.24Å; A46-L94 HydrophobicContact CB-CB 4.5Å; A46-L94 HydrophobicContact CB-CD1 3.98Å; M92-L94 PolarHBondContact O-N 3.41Å; L94-R149 WeakPolarHBondContact O-CD 3.13Å; L94-R149 WeakPolarHBondContact O-CG 3.5Å; L94-P314 HydrophobicContact CD1-CG 3.96Å; L94-Y315 HydrophobicContact CD1-CE2 3.84Å
95A94.7Very high94.1Very high3 Ų325.7 Ų25.73%0.02512%0.122CC..PPolyproline II helixtrans-74.6165.6176.400000112.7L76 Q93 A146 P314L76-A95 HydrophobicContact CD1-CB 4.32Å; L76-A95 HydrophobicContact CD2-CB 4.08Å; Q93-A95 PolarHBondContact O-N 3.11Å; A95-A146 HydrophobicContact CB-CB 3.86Å; A95-P314 HydrophobicContact CB-CB 4.31Å; A95-P314 WeakPolarHBondContact O-CG 3.29Å
96G93.9Very high94.3Very high11 Ų1117.9 Ų17.911%0.1139%0.086CC..  trans-89-168.6164.700000111.8A146 M147 P314G96-A146 WeakPolarHBondContact O-CB 3.25Å; G96-M147 CarbonylContact C-O 3.43Å; G96-M147 WeakPolarHBondContact CA-O 3.26Å; G96-M147 PolarHBondContact N-O 3.23Å; G96-P314 WeakPolarHBondContact O-CB 3.23Å
97R92.9Very high94.4Very high38 Ų3816.5 Ų16.514%0.1438%0.081CC..  trans-56.7140.3-170.8-6517063.1-1692113D101 L102 A146 M147R97-D101 PolarHBondContact NH2-O 3.4Å; R97-D101 VanDerWaalsContact NH2-O 3.1Å; R97-L102 HydrophobicContact CB-CD1 4.21Å; R97-L102 HydrophobicContact CB-CD2 3.93Å; R97-L102 HydrophobicContact CB-CG 3.78Å; R97-A146 WeakPolarHBondContact O-CA 3.47Å; R97-M147 PolarHBondContact O-N 3.13Å
98N94.9Very high94.4Very high0 Ų023 Ų230%012%0.115CC..BIsolated β-bridgetrans-76.1160.9173.271.962.6000112.5T100 D101 L102 F145 A146 P314N98-T100 VanDerWaalsContact C-N 3.27Å; N98-T100 PolarHBondContact O-N 2.98Å; N98-T100 WeakPolarHBondContact OD1-CA 3.41Å; N98-T100 VanDerWaalsContact OD1-CB 3.25Å; N98-T100 WeakPolarHBondContact OD1-CB 3.31Å; N98-T100 PolarHBondContact OD1-N 3.18Å; N98-D101 PolarHBondContact ND2-OD2 3.07Å; N98-D101 PolarHBondContact O-N 3.43Å; N98-D101 PolarHBondContact OD1-N 3.45Å; N98-D101 PolarHBondContact OD1-OD2 2.92Å; N98-L102 WeakPolarHBondContact O-CG 3.37Å; N98-L102 PolarHBondContact O-N 3.29Å; N98-F145 CarbonylContact C-O 3.49Å; N98-F145 WeakPolarHBondContact CA-O 3.27Å; N98-F145 VanDerWaalsContact CB-O 3.32Å; N98-F145 WeakPolarHBondContact CB-O 3.15Å; N98-A146 HydrophobicContact CB-CB 4.31Å; N98-P314 PolarHBondContact ND2-O 3.21Å
99L96.6Very high94.5Very high0 Ų026.1 Ų26.10%013%0.13CC..Hα-helixtrans-66.7-25.9-176.1-62.1-176.1000113.3L102 R103 L119 P142 F145 M147 L157 M213 L217 W295L99-L102 HydrophobicContact CD2-CD1 4.15Å; L99-R103 WeakPolarHBondContact O-CB 3.31Å; L99-R103 PolarHBondContact O-N 2.89Å; L99-L119 HydrophobicContact CD1-CD1 4.3Å; L99-L119 HydrophobicContact CD1-CD2 4.4Å; L99-L119 HydrophobicContact CD2-CD1 3.92Å; L99-L119 HydrophobicContact CD2-CD2 3.82Å; L99-P142 HydrophobicContact CB-CB 3.72Å; L99-P142 WeakPolarHBondContact CB-O 3.24Å; L99-P142 PolarHBondContact N-O 3.12Å; L99-F145 HydrophobicContact CD1-CB 3.77Å; L99-F145 HydrophobicContact CG-CB 4Å; L99-F145 PolarHBondContact N-O 3.33Å; L99-M147 HydrophobicContact CD2-SD 4.36Å; L99-L157 HydrophobicContact CD1-CD1 4.03Å; L99-L157 HydrophobicContact CD1-CD2 4.35Å; L99-L157 HydrophobicContact CD2-CD1 3.79Å; L99-L157 HydrophobicContact CG-CD1 3.97Å; L99-M213 HydrophobicContact CD1-SD 4.4Å; L99-L217 HydrophobicContact CD1-CD1 4.3Å; L99-W295 HydrophobicContact CD2-CH2 4.35Å
100T95.2Very high94.5Very high4 Ų430.1 Ų30.13%0.02515%0.148CC..Hα-helixtrans-65.3-47.4173.7-60.60000110.4N98 R103 R104 P142 S143N98-T100 VanDerWaalsContact C-N 3.27Å; N98-T100 PolarHBondContact O-N 2.98Å; N98-T100 WeakPolarHBondContact OD1-CA 3.41Å; N98-T100 VanDerWaalsContact OD1-CB 3.25Å; N98-T100 WeakPolarHBondContact OD1-CB 3.31Å; N98-T100 PolarHBondContact OD1-N 3.18Å; T100-R103 PolarHBondContact O-N 3.21Å; T100-R104 WeakPolarHBondContact O-CG 3.41Å; T100-R104 PolarHBondContact O-N 3.39Å; T100-P142 WeakPolarHBondContact OG1-CB 3.29Å; T100-S143 PolarHBondContact OG1-N 3.45Å
101D92.7Very high94.6Very high20 Ų2030 Ų3011%0.10715%0.147CC..Hα-helixtrans-73.2-35.2-177.5-64.7-29.4000111.9R97 N98 R104 A105 S317R97-D101 PolarHBondContact NH2-O 3.4Å; R97-D101 VanDerWaalsContact NH2-O 3.1Å; N98-D101 PolarHBondContact ND2-OD2 3.07Å; N98-D101 PolarHBondContact O-N 3.43Å; N98-D101 PolarHBondContact OD1-N 3.45Å; N98-D101 PolarHBondContact OD1-OD2 2.92Å; D101-R104 IonicContact OD1-NH1 3.11Å; D101-A105 PolarHBondContact O-N 2.88Å; D101-S317 WeakPolarHBondContact OD1-CB 3.29Å; D101-S317 PolarHBondContact OD1-OG 3.05Å
102L94.3Very high94.5Very high3 Ų334.5 Ų34.52%0.01617%0.167CC..Hα-helixtrans-63.2-45.4170.4-72.1166.6000111.1R97 N98 L99 R104 A105 V106 F111 M147 W295R97-L102 HydrophobicContact CB-CD1 4.21Å; R97-L102 HydrophobicContact CB-CD2 3.93Å; R97-L102 HydrophobicContact CB-CG 3.78Å; N98-L102 WeakPolarHBondContact O-CG 3.37Å; N98-L102 PolarHBondContact O-N 3.29Å; L99-L102 HydrophobicContact CD2-CD1 4.15Å; L102-R104 PolarHBondContact O-N 3.16Å; L102-A105 PolarHBondContact O-N 3.44Å; L102-V106 PolarHBondContact O-N 2.96Å; L102-F111 HydrophobicContact CB-CE1 4.49Å; L102-F111 HydrophobicContact CB-CZ 3.88Å; L102-M147 HydrophobicContact CD1-CG 3.58Å; L102-W295 HydrophobicContact CB-CD2 4.48Å; L102-W295 HydrophobicContact CB-CE3 4.15Å; L102-W295 HydrophobicContact CB-CZ3 4.43Å; L102-W295 HydrophobicContact CD1-CD2 4.12Å; L102-W295 HydrophobicContact CD1-CE3 4.35Å; L102-W295 HydrophobicContact CD1-CH2 4.24Å; L102-W295 HydrophobicContact CD1-CZ2 3.99Å; L102-W295 HydrophobicContact CD1-CZ3 4.41Å; L102-W295 HydrophobicContact CD2-CB 4Å; L102-W295 HydrophobicContact CD2-CD2 3.76Å; L102-W295 HydrophobicContact CD2-CE3 4.25Å; L102-W295 HydrophobicContact CD2-CG 3.62Å; L102-W295 HydrophobicContact CG-CD2 4.35Å; L102-W295 HydrophobicContact CG-CE3 4.5Å
103R95Very high94.5Very high9 Ų934.8 Ų34.83%0.03417%0.169CC..Hα-helixtrans-65-38.9179.6-172.6178.467.574.2-4.9111.9L99 T100 A105 V106 Q109 F111 E216 L217 G220L99-R103 WeakPolarHBondContact O-CB 3.31Å; L99-R103 PolarHBondContact O-N 2.89Å; T100-R103 PolarHBondContact O-N 3.21Å; R103-A105 PolarHBondContact O-N 3.24Å; R103-V106 VanDerWaalsContact O-CG2 3.26Å; R103-V106 WeakPolarHBondContact O-CG2 3.25Å; R103-V106 PolarHBondContact O-N 3.43Å; R103-Q109 WeakPolarHBondContact CD-O 3.45Å; R103-Q109 HydrophobicContact CG-CB 4.16Å; R103-Q109 WeakPolarHBondContact CG-O 3.45Å; R103-Q109 PolarHBondContact NH1-O 3.35Å; R103-Q109 VanDerWaalsContact O-CA 3.23Å; R103-Q109 WeakPolarHBondContact O-CA 3.31Å; R103-Q109 WeakPolarHBondContact O-CB 3.43Å; R103-F111 VanDerWaalsContact CA-CZ 3.48Å; R103-F111 HydrophobicContact CB-CE1 4.26Å; R103-F111 HydrophobicContact CB-CE2 4.06Å; R103-F111 HydrophobicContact CB-CZ 3.73Å; R103-F111 HydrophobicContact CG-CZ 4.42Å; R103-E216 IonicContact CZ-OE2 3.85Å; R103-E216 IonicContact NE-OE2 2.73Å; R103-E216 PolarHBondContact NE-OE2 2.87Å; R103-E216 VanDerWaalsContact NH2-CD 3.34Å; R103-E216 IonicContact NH2-OE1 2.65Å; R103-E216 IonicContact NH2-OE2 3.75Å; R103-E216 PolarHBondContact NH2-OE2 2.8Å; R103-L217 HydrophobicContact CB-CD2 4.38Å; R103-L217 HydrophobicContact CG-CD2 4.46Å; R103-G220 PolarHBondContact NH1-O 2.83Å
104R92.5Very high94.6Very high116 Ų11634.9 Ų34.944%0.43817%0.17SC..Hα-helixtrans-63.2-25.5176.9-77177.4-177.1157.59.7113.4T100 D101 L102 S317T100-R104 WeakPolarHBondContact O-CG 3.41Å; T100-R104 PolarHBondContact O-N 3.39Å; D101-R104 IonicContact OD1-NH1 3.11Å; L102-R104 PolarHBondContact O-N 3.16Å; R104-S317 PolarHBondContact NH1-OG 3.38Å
105A91.6Very high94.7Very high7 Ų734.3 Ų34.36%0.05817%0.168CC..Hα-helixtrans-88.2-10.7-17700000114.3D101 L102 R103 T305 T308D101-A105 PolarHBondContact O-N 2.88Å; L102-A105 PolarHBondContact O-N 3.44Å; R103-A105 PolarHBondContact O-N 3.24Å; A105-T305 HydrophobicContact CB-CG2 3.94Å; A105-T308 WeakPolarHBondContact CB-OG1 3.43Å
106V92.6Very high94.9Very high5 Ų534.3 Ų34.33%0.0317%0.167CC..SBendtrans-93.2151.2176.2-57.80000111.6L102 R103 L108 Q109 F111 D294 T305L102-V106 PolarHBondContact O-N 2.96Å; R103-V106 VanDerWaalsContact O-CG2 3.26Å; R103-V106 WeakPolarHBondContact O-CG2 3.25Å; R103-V106 PolarHBondContact O-N 3.43Å; V106-L108 PolarHBondContact O-N 2.93Å; V106-Q109 WeakPolarHBondContact O-CA 3.28Å; V106-Q109 PolarHBondContact O-N 2.92Å; V106-F111 HydrophobicContact CB-CD1 4.48Å; V106-F111 HydrophobicContact CB-CE1 4.44Å; V106-F111 HydrophobicContact CG1-CD1 4.03Å; V106-F111 HydrophobicContact CG1-CE1 3.74Å; V106-F111 HydrophobicContact CG2-CD1 3.72Å; V106-F111 HydrophobicContact CG2-CE1 3.79Å; V106-D294 HydrophobicContact CG1-CB 4.26Å; V106-T305 HydrophobicContact CG1-CG2 3.7Å
107P92Very high95.1Very high54 Ų5433.8 Ų33.835%0.35116%0.162SC..G310 helixtrans-52.5137.6177.8-2836.4000113Q109 K110 S301 H304P107-Q109 PolarHBondContact O-N 3.13Å; P107-K110 PolarHBondContact O-N 2.93Å; P107-S301 WeakPolarHBondContact CD-OG 3.48Å; P107-H304 HydrophobicContact CG-CB 4.25Å
108L92.9Very high95.3Very high146 Ų14632.1 Ų32.176%0.76416%0.156SC*.G310 helixtrans56.69.1-177-53.3176.1000114.5V106 K110V106-L108 PolarHBondContact O-N 2.93Å; L108-K110 HydrophobicContact CB-CD 4.35Å; L108-K110 HydrophobicContact CB-CG 4.05Å; L108-K110 WeakPolarHBondContact O-CG 3.4Å; L108-K110 PolarHBondContact O-N 3.46Å
109Q95.1Very high95.5Very high82 Ų8232.1 Ų32.138%0.38316%0.156SC..G310 helixtrans52.936.6-171.4-46.4-177.86.500114R103 V106 P107 G220R103-Q109 WeakPolarHBondContact CD-O 3.45Å; R103-Q109 HydrophobicContact CG-CB 4.16Å; R103-Q109 WeakPolarHBondContact CG-O 3.45Å; R103-Q109 PolarHBondContact NH1-O 3.35Å; R103-Q109 VanDerWaalsContact O-CA 3.23Å; R103-Q109 WeakPolarHBondContact O-CA 3.31Å; R103-Q109 WeakPolarHBondContact O-CB 3.43Å; V106-Q109 WeakPolarHBondContact O-CA 3.28Å; V106-Q109 PolarHBondContact O-N 2.92Å; P107-Q109 PolarHBondContact O-N 3.13Å; Q109-G220 WeakPolarHBondContact O-CA 3.35Å
110K96.7Very high95.6Very high84 Ų8432.2 Ų32.237%0.36516%0.156SC..  trans-119.1122.6-179.3-56.9-167.7-169.1-1650110.4P107 L108 R218 N219P107-K110 PolarHBondContact O-N 2.93Å; L108-K110 HydrophobicContact CB-CD 4.35Å; L108-K110 HydrophobicContact CB-CG 4.05Å; L108-K110 WeakPolarHBondContact O-CG 3.4Å; L108-K110 PolarHBondContact O-N 3.46Å; K110-R218 WeakPolarHBondContact CB-O 3.32Å; K110-N219 WeakPolarHBondContact CE-O 3.4Å; K110-N219 PolarHBondContact NZ-O 2.95Å
111F97.4Very high95.8Very high0 Ų032.4 Ų32.40%016%0.157CC..  trans-73.8154.5164.9-64.9-35.1000111.4L102 R103 V106 T115 L119 L217 R218 D294 W295L102-F111 HydrophobicContact CB-CE1 4.49Å; L102-F111 HydrophobicContact CB-CZ 3.88Å; R103-F111 VanDerWaalsContact CA-CZ 3.48Å; R103-F111 HydrophobicContact CB-CE1 4.26Å; R103-F111 HydrophobicContact CB-CE2 4.06Å; R103-F111 HydrophobicContact CB-CZ 3.73Å; R103-F111 HydrophobicContact CG-CZ 4.42Å; V106-F111 HydrophobicContact CB-CD1 4.48Å; V106-F111 HydrophobicContact CB-CE1 4.44Å; V106-F111 HydrophobicContact CG1-CD1 4.03Å; V106-F111 HydrophobicContact CG1-CE1 3.74Å; V106-F111 HydrophobicContact CG2-CD1 3.72Å; V106-F111 HydrophobicContact CG2-CE1 3.79Å; F111-T115 HydrophobicContact CB-CG2 3.79Å; F111-T115 HydrophobicContact CD1-CG2 4.17Å; F111-T115 HydrophobicContact CD2-CG2 4Å; F111-T115 HydrophobicContact CG-CG2 3.74Å; F111-L119 HydrophobicContact CD2-CD1 3.96Å; F111-L119 HydrophobicContact CE2-CD1 3.95Å; F111-L217 HydrophobicContact CD2-CB 3.98Å; F111-L217 HydrophobicContact CD2-CD1 4.33Å; F111-L217 HydrophobicContact CD2-CD2 3.88Å; F111-L217 HydrophobicContact CD2-CG 4.25Å; F111-L217 HydrophobicContact CE2-CD1 4.49Å; F111-L217 HydrophobicContact CE2-CD2 3.66Å; F111-L217 HydrophobicContact CE2-CG 4.45Å; F111-L217 PolarHBondContact N-O 3.4Å; F111-R218 WeakPolarHBondContact O-CD 3.17Å; F111-R218 PolarHBondContact O-NH1 3.4Å; F111-D294 WeakPolarHBondContact CA-OD2 3.46Å; F111-D294 VanDerWaalsContact CB-OD2 3.29Å; F111-D294 WeakPolarHBondContact CB-OD2 3.39Å; F111-D294 HydrophobicContact CD1-CB 4.25Å; F111-D294 WeakPolarHBondContact CD1-OD2 3.24Å; F111-W295 HydrophobicContact CD1-CE3 4.37Å; F111-W295 HydrophobicContact CD1-CZ3 4.11Å; F111-W295 HydrophobicContact CD2-CZ3 4.38Å; F111-W295 AromaticContact CE1-CE3 3.68Å; F111-W295 HydrophobicContact CE1-CE3 3.68Å; F111-W295 AromaticContact CE1-CZ3 3.56Å; F111-W295 HydrophobicContact CE1-CZ3 3.56Å; F111-W295 AromaticContact CE2-CZ3 3.86Å; F111-W295 HydrophobicContact CE2-CZ3 3.86Å; F111-W295 AromaticContact CZ-CE3 3.89Å; F111-W295 HydrophobicContact CZ-CE3 3.89Å; F111-W295 HydrophobicContact CZ-CH2 4.46Å; F111-W295 AromaticContact CZ-CZ3 3.43Å; F111-W295 HydrophobicContact CZ-CZ3 3.43Å; F111-W295 VanDerWaalsContact CZ-CZ3 3.43Å
112K96.3Very high96.1Very high93 Ų9332.5 Ų32.540%0.40416%0.157SC..  trans-68.5158.2169.3-61.2-70.1172.9131.80109.9N114 T115 T116 D294 D300K112-N114 VanDerWaalsContact C-N 3.29Å; K112-N114 PolarHBondContact O-N 3.06Å; K112-T115 PolarHBondContact O-N 3.49Å; K112-T116 PolarHBondContact O-N 2.74Å; K112-T116 PolarHBondContact O-OG1 3.25Å; K112-D294 WeakPolarHBondContact CB-OD1 3.3Å; K112-D294 WeakPolarHBondContact CG-OD1 3.39Å; K112-D294 PolarHBondContact N-OD2 3.35Å; K112-D300 WeakPolarHBondContact CD-OD2 3.28Å; K112-D300 WeakPolarHBondContact CE-OD2 3.44Å; K112-D300 HydrophobicContact CG-CB 4.47Å; K112-D300 WeakPolarHBondContact CG-OD2 3.12Å; K112-D300 IonicContact NZ-OD2 2.77Å; K112-D300 PolarHBondContact NZ-OD2 2.67Å
113T96.5Very high96.3Very high26 Ų2632.3 Ų32.316%0.1616%0.156CC..Hα-helixtrans-57.2-43.5179.3-52.40000111.3T116 I117 R218 P250 Y287T113-T116 PolarHBondContact O-N 2.69Å; T113-I117 HydrophobicContact CG2-CD1 3.65Å; T113-I117 HydrophobicContact CG2-CG1 4.3Å; T113-I117 VanDerWaalsContact O-CG1 3.27Å; T113-I117 WeakPolarHBondContact O-CG1 3.45Å; T113-I117 PolarHBondContact O-N 3.15Å; T113-R218 PolarHBondContact OG1-NE 3.23Å; T113-P250 HydrophobicContact CG2-CG 3.99Å; T113-Y287 HydrophobicContact CG2-CE2 4.11Å
114N96.9Very high96.5Very high20 Ų2031.9 Ų31.911%0.10715%0.154CC..Hα-helixtrans-57.6-55.4177.9-177.514.4000112.1K112 T116 I117 R118 Y287 S291K112-N114 VanDerWaalsContact C-N 3.29Å; K112-N114 PolarHBondContact O-N 3.06Å; N114-T116 VanDerWaalsContact C-N 3.3Å; N114-T116 PolarHBondContact O-N 3.47Å; N114-I117 PolarHBondContact O-N 3.25Å; N114-R118 PolarHBondContact O-N 2.84Å; N114-R118 VanDerWaalsContact O-N 3.13Å; N114-R118 PolarHBondContact OD1-NE 3.3Å; N114-Y287 HydrophobicContact CB-CD1 3.97Å; N114-Y287 HydrophobicContact CB-CD2 3.83Å; N114-Y287 HydrophobicContact CB-CE1 4.15Å; N114-Y287 HydrophobicContact CB-CE2 4.02Å; N114-Y287 HydrophobicContact CB-CG 3.81Å; N114-S291 VanDerWaalsContact ND2-CB 3.29Å; N114-S291 WeakPolarHBondContact ND2-CB 3.4Å
115T98.1Very high96.8Very high0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-54.4-46.1175.8-70.80000111.7F111 K112 I117 L119 Y293 D294 W295F111-T115 HydrophobicContact CB-CG2 3.79Å; F111-T115 HydrophobicContact CD1-CG2 4.17Å; F111-T115 HydrophobicContact CD2-CG2 4Å; F111-T115 HydrophobicContact CG-CG2 3.74Å; K112-T115 PolarHBondContact O-N 3.49Å; T115-I117 PolarHBondContact O-N 3.39Å; T115-L119 HydrophobicContact CG2-CD1 3.97Å; T115-L119 HydrophobicContact CG2-CG 4.49Å; T115-L119 WeakPolarHBondContact O-CB 3.13Å; T115-L119 VanDerWaalsContact O-CG 3.27Å; T115-L119 WeakPolarHBondContact O-CG 3.31Å; T115-L119 PolarHBondContact O-N 3.03Å; T115-Y293 HydrophobicContact CG2-CD1 3.84Å; T115-D294 WeakPolarHBondContact CB-OD1 3.49Å; T115-D294 PolarHBondContact OG1-N 3.34Å; T115-D294 PolarHBondContact OG1-OD1 3.11Å; T115-W295 HydrophobicContact CG2-CH2 4.02Å; T115-W295 HydrophobicContact CG2-CZ3 3.66Å
116T98.2Very high97.1Very high2 Ų227.7 Ų27.71%0.01214%0.138CC..Hα-helixtrans-61.2-46.5-179.8-53.80000111.9K112 T113 N114 L119 V120 A214 L217 R218K112-T116 PolarHBondContact O-N 2.74Å; K112-T116 PolarHBondContact O-OG1 3.25Å; T113-T116 PolarHBondContact O-N 2.69Å; N114-T116 VanDerWaalsContact C-N 3.3Å; N114-T116 PolarHBondContact O-N 3.47Å; T116-L119 PolarHBondContact O-N 3.11Å; T116-V120 HydrophobicContact CG2-CG2 4.45Å; T116-V120 VanDerWaalsContact O-CG2 3.28Å; T116-V120 WeakPolarHBondContact O-CG2 3.13Å; T116-V120 PolarHBondContact O-N 3.24Å; T116-A214 HydrophobicContact CG2-CB 4.28Å; T116-L217 HydrophobicContact CG2-CB 4.28Å; T116-R218 HydrophobicContact CG2-CB 4.17Å
117I98.3Very high97.4Very high1 Ų127.4 Ų27.41%0.00514%0.137CC..Hα-helixtrans-64.8-45.4-177.2-66.3162.7000111.1T113 N114 T115 L119 V120 I121 M278 L281 M282 Y287T113-I117 HydrophobicContact CG2-CD1 3.65Å; T113-I117 HydrophobicContact CG2-CG1 4.3Å; T113-I117 VanDerWaalsContact O-CG1 3.27Å; T113-I117 WeakPolarHBondContact O-CG1 3.45Å; T113-I117 PolarHBondContact O-N 3.15Å; N114-I117 PolarHBondContact O-N 3.25Å; T115-I117 PolarHBondContact O-N 3.39Å; I117-L119 VanDerWaalsContact C-N 3.34Å; I117-L119 PolarHBondContact O-N 2.71Å; I117-V120 WeakPolarHBondContact O-CB 3.44Å; I117-V120 PolarHBondContact O-N 2.85Å; I117-V120 VanDerWaalsContact O-N 3.12Å; I117-I121 HydrophobicContact CG2-CD1 4.34Å; I117-I121 WeakPolarHBondContact O-CG1 3.27Å; I117-I121 PolarHBondContact O-N 3.14Å; I117-M278 HydrophobicContact CG2-CB 3.75Å; I117-M278 HydrophobicContact CG2-CG 4.32Å; I117-M278 HydrophobicContact CG2-SD 4.18Å; I117-L281 HydrophobicContact CD1-CD2 3.43Å; I117-L281 VanDerWaalsContact CD1-CD2 3.43Å; I117-L281 HydrophobicContact CD1-CG 3.67Å; I117-L281 HydrophobicContact CG1-CD2 4.02Å; I117-M282 HydrophobicContact CB-CG 4.39Å; I117-M282 HydrophobicContact CG2-CG 3.64Å; I117-M282 HydrophobicContact CG2-SD 3.94Å; I117-Y287 HydrophobicContact CD1-CD2 4.26Å; I117-Y287 HydrophobicContact CD1-CE2 4.14Å
118R98.2Very high97.7Very high3 Ų328.3 Ų28.31%0.01113%0.133CC..Hα-helixtrans-63.8-39178.9-72.8-174.7-65.7133.90.3112.4N114 I121 Q122 M282 E289 S291 P292 Y293N114-R118 PolarHBondContact O-N 2.84Å; N114-R118 VanDerWaalsContact O-N 3.13Å; N114-R118 PolarHBondContact OD1-NE 3.3Å; R118-I121 PolarHBondContact O-N 2.95Å; R118-Q122 PolarHBondContact O-N 3.21Å; R118-M282 HydrophobicContact CG-CE 3.54Å; R118-M282 HydrophobicContact CG-SD 3.76Å; R118-E289 PolarHBondContact NH1-O 3.28Å; R118-S291 PolarHBondContact NH1-O 3.43Å; R118-S291 PolarHBondContact NH2-O 2.77Å; R118-P292 PolarHBondContact NH2-O 3.31Å; R118-P292 VanDerWaalsContact NH2-O 3.1Å; R118-Y293 HydrophobicContact CB-CE1 3.88Å
119L98.6Very high98Very high0 Ų022 Ų220%010%0.101CC..Hα-helixtrans-62.6-41.8171.6-71.8175.2000112.1L99 F111 T115 T116 I117 I121 Q122 C123 M147 L157 L217 Y293 W295L99-L119 HydrophobicContact CD1-CD1 4.3Å; L99-L119 HydrophobicContact CD1-CD2 4.4Å; L99-L119 HydrophobicContact CD2-CD1 3.92Å; L99-L119 HydrophobicContact CD2-CD2 3.82Å; F111-L119 HydrophobicContact CD2-CD1 3.96Å; F111-L119 HydrophobicContact CE2-CD1 3.95Å; T115-L119 HydrophobicContact CG2-CD1 3.97Å; T115-L119 HydrophobicContact CG2-CG 4.49Å; T115-L119 WeakPolarHBondContact O-CB 3.13Å; T115-L119 VanDerWaalsContact O-CG 3.27Å; T115-L119 WeakPolarHBondContact O-CG 3.31Å; T115-L119 PolarHBondContact O-N 3.03Å; T116-L119 PolarHBondContact O-N 3.11Å; I117-L119 VanDerWaalsContact C-N 3.34Å; I117-L119 PolarHBondContact O-N 2.71Å; L119-I121 VanDerWaalsContact C-N 3.34Å; L119-I121 PolarHBondContact O-N 3.2Å; L119-Q122 PolarHBondContact O-N 3.45Å; L119-C123 WeakPolarHBondContact O-CB 3.48Å; L119-C123 PolarHBondContact O-N 3.44Å; L119-C123 PolarHBondContact O-SG 3.14Å; L119-M147 HydrophobicContact CD2-SD 4.08Å; L119-L157 HydrophobicContact CD2-CD1 3.98Å; L119-L157 HydrophobicContact CD2-CD2 4.32Å; L119-L217 HydrophobicContact CD1-CD1 4.01Å; L119-Y293 HydrophobicContact CD2-CE1 4.23Å; L119-Y293 HydrophobicContact CG-CE1 4.17Å; L119-W295 HydrophobicContact CD1-CH2 3.96Å; L119-W295 HydrophobicContact CD1-CZ3 4.38Å; L119-W295 HydrophobicContact CD2-CH2 4.12Å; L119-W295 HydrophobicContact CG-CH2 4.36Å
120V98.6Very high98.2Very high2 Ų218.1 Ų18.11%0.0128%0.082CC..Hα-helixtrans-60.8-42.9177.6167.60000111.2T116 I117 Q122 C123 V124 A214 F253 W256 M278T116-V120 HydrophobicContact CG2-CG2 4.45Å; T116-V120 VanDerWaalsContact O-CG2 3.28Å; T116-V120 WeakPolarHBondContact O-CG2 3.13Å; T116-V120 PolarHBondContact O-N 3.24Å; I117-V120 WeakPolarHBondContact O-CB 3.44Å; I117-V120 PolarHBondContact O-N 2.85Å; I117-V120 VanDerWaalsContact O-N 3.12Å; V120-Q122 PolarHBondContact O-N 3.46Å; V120-C123 PolarHBondContact O-N 3.26Å; V120-V124 HydrophobicContact CG1-CG2 4.23Å; V120-V124 VanDerWaalsContact O-CG2 3.3Å; V120-V124 WeakPolarHBondContact O-CG2 3.32Å; V120-V124 PolarHBondContact O-N 2.95Å; V120-A214 HydrophobicContact CG2-CB 3.47Å; V120-A214 VanDerWaalsContact CG2-CB 3.47Å; V120-F253 HydrophobicContact CG2-CE1 4.33Å; V120-F253 HydrophobicContact CG2-CZ 4.46Å; V120-W256 HydrophobicContact CG1-CH2 4.1Å; V120-W256 HydrophobicContact CG1-CZ3 3.83Å; V120-M278 HydrophobicContact CG1-CG 3.95Å; V120-M278 HydrophobicContact CG1-SD 4.11Å
121I98.7Very high98.3Very high7 Ų714.3 Ų14.34%0.0367%0.066CC..Hα-helixtrans-54.8-55176-69.3168.2000109.9I117 R118 L119 C123 V124 E125 I275 M278 R279 M282I117-I121 HydrophobicContact CG2-CD1 4.34Å; I117-I121 WeakPolarHBondContact O-CG1 3.27Å; I117-I121 PolarHBondContact O-N 3.14Å; R118-I121 PolarHBondContact O-N 2.95Å; L119-I121 VanDerWaalsContact C-N 3.34Å; L119-I121 PolarHBondContact O-N 3.2Å; I121-C123 VanDerWaalsContact C-N 3.31Å; I121-C123 PolarHBondContact O-N 3.26Å; I121-V124 PolarHBondContact O-N 3.29Å; I121-V124 VanDerWaalsContact O-N 3.14Å; I121-E125 HydrophobicContact CG2-CG 4.46Å; I121-E125 WeakPolarHBondContact O-CG 3.32Å; I121-E125 PolarHBondContact O-N 3.27Å; I121-I275 HydrophobicContact CG2-CG2 4.18Å; I121-M278 HydrophobicContact CD1-CB 3.87Å; I121-M278 HydrophobicContact CG1-CB 3.53Å; I121-M278 HydrophobicContact CG1-CG 4.22Å; I121-R279 HydrophobicContact CD1-CG 3.97Å; I121-M282 HydrophobicContact CD1-SD 3.62Å
122Q98.8Very high98.3Very high22 Ų2217.8 Ų17.810%0.1039%0.09CC..Hα-helixtrans-62.6-36.6-179.6-63.7-163.663.900112.6H74 R118 L119 V120 E125 A126 R155 L157 Y293H74-Q122 PolarHBondContact CE1-OE1 2.76Å; H74-Q122 VanDerWaalsContact CE1-OE1 3.28Å; R118-Q122 PolarHBondContact O-N 3.21Å; L119-Q122 PolarHBondContact O-N 3.45Å; V120-Q122 PolarHBondContact O-N 3.46Å; Q122-E125 PolarHBondContact O-N 3.07Å; Q122-A126 WeakPolarHBondContact O-CB 3.31Å; Q122-A126 PolarHBondContact O-N 3.4Å; Q122-R155 PolarHBondContact NE2-O 3.18Å; Q122-L157 HydrophobicContact CB-CB 3.86Å; Q122-L157 HydrophobicContact CB-CD2 4.12Å; Q122-L157 HydrophobicContact CG-CB 4.49Å; Q122-Y293 PolarHBondContact NE2-OH 3.31Å
123C98.8Very high98.3Very high0 Ų014.6 Ų14.60%08%0.077CC..Hα-helixtrans-63.7-42.4175.4-68.60000112L119 V120 I121 T127 F145 L157 T210 M213L119-C123 WeakPolarHBondContact O-CB 3.48Å; L119-C123 PolarHBondContact O-N 3.44Å; L119-C123 PolarHBondContact O-SG 3.14Å; V120-C123 PolarHBondContact O-N 3.26Å; I121-C123 VanDerWaalsContact C-N 3.31Å; I121-C123 PolarHBondContact O-N 3.26Å; C123-T127 VanDerWaalsContact O-CB 3.28Å; C123-T127 WeakPolarHBondContact O-CB 3.41Å; C123-T127 PolarHBondContact O-N 3.27Å; C123-T127 PolarHBondContact O-OG1 3.38Å; C123-F145 HydrophobicContact CB-CE1 4.28Å; C123-F145 HydrophobicContact CB-CZ 4.36Å; C123-L157 WeakPolarHBondContact SG-CD2 3.43Å; C123-T210 HydrophobicContact CB-CG2 3.68Å; C123-M213 HydrophobicContact CB-CE 4.1Å; C123-M213 WeakPolarHBondContact SG-CE 3.36Å
124V98.9Very high98.4Very high0 Ų013.6 Ų13.60%07%0.072CC..Hα-helixtrans-69.7-39.2179175.70000110.5V120 I121 T127 R128 L207 T210 W256 Y271 I274 I275V120-V124 HydrophobicContact CG1-CG2 4.23Å; V120-V124 VanDerWaalsContact O-CG2 3.3Å; V120-V124 WeakPolarHBondContact O-CG2 3.32Å; V120-V124 PolarHBondContact O-N 2.95Å; I121-V124 PolarHBondContact O-N 3.29Å; I121-V124 VanDerWaalsContact O-N 3.14Å; V124-T127 PolarHBondContact O-N 3.06Å; V124-R128 WeakPolarHBondContact O-CB 3.4Å; V124-R128 PolarHBondContact O-N 3.2Å; V124-L207 HydrophobicContact CG1-CD2 4.48Å; V124-L207 HydrophobicContact CG2-CD2 4.44Å; V124-T210 HydrophobicContact CG2-CG2 4.28Å; V124-W256 HydrophobicContact CG2-CH2 4.33Å; V124-W256 HydrophobicContact CG2-CZ2 4.41Å; V124-Y271 HydrophobicContact CG1-CD1 4.38Å; V124-I274 HydrophobicContact CG1-CB 4.31Å; V124-I274 HydrophobicContact CG1-CG2 4.34Å; V124-I274 HydrophobicContact CG2-CG2 3.94Å; V124-I275 HydrophobicContact CB-CG1 4.19Å; V124-I275 HydrophobicContact CG1-CD1 4.12Å; V124-I275 HydrophobicContact CG1-CG1 3.82Å
125E98.9Very high98.5Very high33 Ų3313 Ų1315%0.1547%0.069CC..Hα-helixtrans-60.1-49173.6-72.2173.2152.700111.5H74 I121 Q122 T127 R128 D129 I275 R279H74-E125 IonicContact CE1-OE2 3.07Å; H74-E125 IonicContact NE2-OE2 2.83Å; H74-E125 PolarHBondContact NE2-OE2 3Å; I121-E125 HydrophobicContact CG2-CG 4.46Å; I121-E125 WeakPolarHBondContact O-CG 3.32Å; I121-E125 PolarHBondContact O-N 3.27Å; Q122-E125 PolarHBondContact O-N 3.07Å; E125-T127 VanDerWaalsContact C-N 3.33Å; E125-T127 PolarHBondContact O-N 3.31Å; E125-R128 WeakPolarHBondContact O-CB 3.39Å; E125-R128 PolarHBondContact O-N 3.45Å; E125-D129 PolarHBondContact O-N 3.35Å; E125-I275 HydrophobicContact CG-CD1 3.59Å; E125-I275 HydrophobicContact CG-CG1 4.32Å; E125-R279 IonicContact OE1-NH2 3.03Å
126A98.9Very high98.5Very high1 Ų113.1 Ų13.11%0.0087%0.069CC..Hα-helixtrans-59.9-43174.500000112H74 F75 Q122 R128 D129 I130 F145 M159H74-A126 HydrophobicContact CB-CB 3.53Å; F75-A126 HydrophobicContact CZ-CB 4.37Å; F75-A126 WeakPolarHBondContact CZ-O 3.4Å; Q122-A126 WeakPolarHBondContact O-CB 3.31Å; Q122-A126 PolarHBondContact O-N 3.4Å; A126-R128 PolarHBondContact O-N 2.96Å; A126-D129 PolarHBondContact O-N 3.42Å; A126-I130 PolarHBondContact O-N 2.68Å; A126-F145 HydrophobicContact CB-CE1 4.26Å; A126-M159 HydrophobicContact CB-CB 4.24Å; A126-M159 HydrophobicContact CB-CE 3.78Å
127T98.9Very high98.5Very high0 Ų013.1 Ų13.10%07%0.069CC..Hα-helixtrans-64.9-39.5178.5-57.90000111.6C123 V124 E125 D129 I130 H131 I140 D206 L207C123-T127 VanDerWaalsContact O-CB 3.28Å; C123-T127 WeakPolarHBondContact O-CB 3.41Å; C123-T127 PolarHBondContact O-N 3.27Å; C123-T127 PolarHBondContact O-OG1 3.38Å; V124-T127 PolarHBondContact O-N 3.06Å; E125-T127 VanDerWaalsContact C-N 3.33Å; E125-T127 PolarHBondContact O-N 3.31Å; T127-D129 VanDerWaalsContact C-N 3.34Å; T127-I130 VanDerWaalsContact O-CG2 3.31Å; T127-I130 WeakPolarHBondContact O-CG2 3.25Å; T127-H131 WeakPolarHBondContact CG2-CE1 3.24Å; T127-H131 WeakPolarHBondContact O-CB 3.45Å; T127-H131 PolarHBondContact O-N 3.43Å; T127-H131 VanDerWaalsContact O-N 3.14Å; T127-H131 PolarHBondContact O-ND1 3.46Å; T127-I140 HydrophobicContact CG2-CD1 4.06Å; T127-I140 WeakPolarHBondContact OG1-CD1 3.27Å; T127-D206 HydrophobicContact CG2-CB 4.02Å; T127-L207 HydrophobicContact CG2-CD2 3.87Å; T127-L207 HydrophobicContact CG2-CG 4.43Å
128R98.8Very high98.5Very high73 Ų7314.7 Ų14.728%0.2758%0.075SC..Hα-helixtrans-61-44.2172.8-178.7-173.865.2-164.1-6.7110.7V124 E125 A126 H131 S132 Y271 D272V124-R128 WeakPolarHBondContact O-CB 3.4Å; V124-R128 PolarHBondContact O-N 3.2Å; E125-R128 WeakPolarHBondContact O-CB 3.39Å; E125-R128 PolarHBondContact O-N 3.45Å; A126-R128 PolarHBondContact O-N 2.96Å; R128-H131 PolarHBondContact O-N 3.17Å; R128-S132 WeakPolarHBondContact O-CB 3.42Å; R128-S132 PolarHBondContact O-N 3.34Å; R128-Y271 HydrophobicContact CB-CD1 3.74Å; R128-Y271 HydrophobicContact CB-CD2 4.24Å; R128-Y271 HydrophobicContact CB-CE1 4.27Å; R128-Y271 HydrophobicContact CB-CG 3.73Å; R128-Y271 HydrophobicContact CG-CD1 4.24Å; R128-Y271 HydrophobicContact CG-CD2 3.79Å; R128-Y271 HydrophobicContact CG-CE2 4.36Å; R128-Y271 HydrophobicContact CG-CG 3.73Å; R128-D272 IonicContact CZ-OD1 3.38Å; R128-D272 IonicContact NH1-OD1 2.7Å; R128-D272 PolarHBondContact NH1-OD1 2.99Å
129D98.8Very high98.4Very high14 Ų1415.1 Ų15.18%0.0758%0.077CC..Hα-helixtrans-67.4-43-177.3-82.2-27.4000113.2K72 F75 E125 A126 T127 H131 S132 I133K72-D129 HydrophobicContact CB-CB 4.49Å; K72-D129 HydrophobicContact CD-CB 4.31Å; K72-D129 HydrophobicContact CG-CB 4.3Å; K72-D129 IonicContact NZ-OD1 3.37Å; K72-D129 PolarHBondContact NZ-OD1 3.24Å; F75-D129 HydrophobicContact CE2-CB 3.62Å; F75-D129 HydrophobicContact CZ-CB 4.06Å; E125-D129 PolarHBondContact O-N 3.35Å; A126-D129 PolarHBondContact O-N 3.42Å; T127-D129 VanDerWaalsContact C-N 3.34Å; D129-H131 VanDerWaalsContact C-N 3.32Å; D129-H131 PolarHBondContact O-N 2.85Å; D129-S132 WeakPolarHBondContact O-CB 3.15Å; D129-S132 PolarHBondContact O-N 3.14Å; D129-S132 VanDerWaalsContact O-N 3.17Å; D129-S132 PolarHBondContact O-OG 3.49Å; D129-I133 PolarHBondContact O-N 3.27Å
130I98.8Very high98.4Very high0 Ų015.2 Ų15.20%08%0.078CC..Hα-helixtrans-64.3-38.4173.8-167.6172.1000111.9V65 L69 F75 A126 T127 S132 I133 F135 H137 M159 F162V65-I130 HydrophobicContact CG1-CD1 4.39Å; L69-I130 HydrophobicContact CD1-CG1 4.44Å; L69-I130 HydrophobicContact CD2-CB 4.37Å; F75-I130 HydrophobicContact CZ-CB 4.31Å; A126-I130 PolarHBondContact O-N 2.68Å; T127-I130 VanDerWaalsContact O-CG2 3.31Å; T127-I130 WeakPolarHBondContact O-CG2 3.25Å; I130-S132 VanDerWaalsContact C-N 3.31Å; I130-S132 PolarHBondContact O-N 2.91Å; I130-I133 WeakPolarHBondContact O-CG1 3.36Å; I130-I133 PolarHBondContact O-N 2.81Å; I130-F135 CarbonylContact C-O 3.52Å; I130-F135 VanDerWaalsContact C-O 3.27Å; I130-F135 HydrophobicContact CD1-CB 4.45Å; I130-F135 HydrophobicContact CG1-CB 3.9Å; I130-F135 PolarHBondContact O-N 3.45Å; I130-H137 HydrophobicContact CD1-CB 4.15Å; I130-M159 HydrophobicContact CB-SD 4.42Å; I130-M159 HydrophobicContact CD1-SD 4.21Å; I130-M159 HydrophobicContact CG2-CE 4.37Å; I130-M159 HydrophobicContact CG2-SD 4.16Å; I130-F162 HydrophobicContact CD1-CD1 3.84Å; I130-F162 HydrophobicContact CD1-CE1 4.11Å
131H98.7Very high98.3Very high3 Ų315.3 Ų15.31%0.0148%0.078CC..Hα-helixtrans-63.9-37173.4-68.4148000112.4T127 R128 D129 I133 G134 F135 L136 Y168 R203 D206 Y271T127-H131 WeakPolarHBondContact CG2-CE1 3.24Å; T127-H131 WeakPolarHBondContact O-CB 3.45Å; T127-H131 PolarHBondContact O-N 3.43Å; T127-H131 VanDerWaalsContact O-N 3.14Å; T127-H131 PolarHBondContact O-ND1 3.46Å; R128-H131 PolarHBondContact O-N 3.17Å; D129-H131 VanDerWaalsContact C-N 3.32Å; D129-H131 PolarHBondContact O-N 2.85Å; H131-I133 PolarHBondContact O-N 2.67Å; H131-G134 PolarHBondContact O-N 2.91Å; H131-F135 WeakPolarHBondContact CA-O 3.3Å; H131-F135 PolarHBondContact CD2-O 2.64Å; H131-F135 PolarHBondContact N-O 3.01Å; H131-L136 WeakPolarHBondContact NE2-CD2 3.41Å; H131-Y168 PolarHBondContact O-OH 3.28Å; H131-R203 HydrophobicContact CB-CG 4.35Å; H131-R203 PolarHBondContact CE1-O 2.95Å; H131-D206 IonicContact CE1-OD2 3.37Å; H131-D206 IonicContact NE2-OD2 2.84Å; H131-D206 PolarHBondContact NE2-OD2 3.17Å; H131-Y271 WeakPolarHBondContact CB-OH 3.47Å; H131-Y271 AromaticContact ND1-CE1 3.49Å; H131-Y271 WeakPolarHBondContact ND1-CE1 3.36Å; H131-Y271 AromaticContact ND1-CZ 3.52Å; H131-Y271 PolarHBondContact ND1-OH 2.65Å
132S97.7Very high98.3Very high74 Ų7415 Ų1552%0.5178%0.076SC..Hα-helixtrans-62.3-26.8-179.3800000113.3R128 D129 I130 G134R128-S132 WeakPolarHBondContact O-CB 3.42Å; R128-S132 PolarHBondContact O-N 3.34Å; D129-S132 WeakPolarHBondContact O-CB 3.15Å; D129-S132 PolarHBondContact O-N 3.14Å; D129-S132 VanDerWaalsContact O-N 3.17Å; D129-S132 PolarHBondContact O-OG 3.49Å; I130-S132 VanDerWaalsContact C-N 3.31Å; I130-S132 PolarHBondContact O-N 2.91Å; S132-G134 VanDerWaalsContact C-N 3.34Å
133I97.3Very high98.1Very high25 Ų2513.9 Ų13.913%0.1287%0.071CC..THydrogen-bonded Turntrans-91.76.7175.965.2154000113.4V65 R68 L69 D129 I130 H131 F135V65-I133 HydrophobicContact CG1-CD1 4.38Å; R68-I133 HydrophobicContact CB-CD1 3.67Å; L69-I133 HydrophobicContact CD1-CD1 4.22Å; L69-I133 HydrophobicContact CD2-CD1 3.6Å; L69-I133 HydrophobicContact CD2-CG1 3.96Å; L69-I133 HydrophobicContact CD2-CG2 4.44Å; L69-I133 HydrophobicContact CG-CD1 3.59Å; L69-I133 HydrophobicContact CG-CG1 4.49Å; D129-I133 PolarHBondContact O-N 3.27Å; I130-I133 WeakPolarHBondContact O-CG1 3.36Å; I130-I133 PolarHBondContact O-N 2.81Å; H131-I133 PolarHBondContact O-N 2.67Å; I133-F135 HydrophobicContact CD1-CD2 3.87Å; I133-F135 HydrophobicContact CG1-CD2 4.01Å; I133-F135 WeakPolarHBondContact O-CD2 3.33Å
134G97.8Very high98Very high5 Ų513.9 Ų13.95%0.0527%0.071CC..THydrogen-bonded Turntrans88.216.9175.500000115.4H131 S132 C167 Y168 T169H131-G134 PolarHBondContact O-N 2.91Å; S132-G134 VanDerWaalsContact C-N 3.34Å; G134-C167 CarbonylContact O-C 3.57Å; G134-C167 VanDerWaalsContact O-CA 3.29Å; G134-C167 WeakPolarHBondContact O-CA 3.03Å; G134-Y168 WeakPolarHBondContact O-CD1 3.08Å; G134-Y168 WeakPolarHBondContact O-CE1 3.45Å; G134-Y168 PolarHBondContact O-N 3.02Å; G134-T169 WeakPolarHBondContact CA-OG1 3.39Å
135F98.4Very high98Very high9 Ų913.9 Ų13.94%0.0397%0.071CC..EExtended strand (participates in β ladder)trans-117.7138.9-179.4-73-92.3000112.5F61 F64 V65 I130 H131 I133 R166 C167F61-F135 HydrophobicContact CE2-CD1 4.47Å; F61-F135 AromaticContact CE2-CE1 3.67Å; F61-F135 HydrophobicContact CE2-CE1 3.67Å; F61-F135 HydrophobicContact CE2-CZ 4.47Å; F61-F135 AromaticContact CZ-CD1 3.92Å; F61-F135 HydrophobicContact CZ-CD1 3.92Å; F61-F135 AromaticContact CZ-CE1 3.55Å; F61-F135 HydrophobicContact CZ-CE1 3.55Å; F64-F135 HydrophobicContact CD1-CZ 4.3Å; F64-F135 HydrophobicContact CE1-CE2 4.11Å; F64-F135 AromaticContact CE1-CZ 3.7Å; F64-F135 HydrophobicContact CE1-CZ 3.7Å; V65-F135 HydrophobicContact CG2-CD1 3.86Å; V65-F135 HydrophobicContact CG2-CE1 3.92Å; V65-F135 HydrophobicContact CG2-CG 4.28Å; V65-F135 HydrophobicContact CG2-CZ 4.38Å; I130-F135 CarbonylContact C-O 3.52Å; I130-F135 VanDerWaalsContact C-O 3.27Å; I130-F135 HydrophobicContact CD1-CB 4.45Å; I130-F135 HydrophobicContact CG1-CB 3.9Å; I130-F135 PolarHBondContact O-N 3.45Å; H131-F135 WeakPolarHBondContact CA-O 3.3Å; H131-F135 PolarHBondContact CD2-O 2.64Å; H131-F135 PolarHBondContact N-O 3.01Å; I133-F135 HydrophobicContact CD1-CD2 3.87Å; I133-F135 HydrophobicContact CG1-CD2 4.01Å; I133-F135 WeakPolarHBondContact O-CD2 3.33Å; F135-R166 WeakPolarHBondContact CA-O 3.27Å; F135-C167 HydrophobicContact CD1-CB 4.1Å; F135-C167 HydrophobicContact CE1-CB 3.54Å; F135-C167 HydrophobicContact CZ-CB 3.75Å
136L98.5Very high97.9Very high2 Ų212.3 Ų12.31%0.016%0.064CC..EExtended strand (participates in β ladder)trans-91.4144.7162.3-54.2176.8000108.5H131 R138 A165 R166 Y168 L201 R203H131-L136 WeakPolarHBondContact NE2-CD2 3.41Å; L136-R138 HydrophobicContact CB-CG 3.7Å; L136-R138 HydrophobicContact CD1-CG 4.49Å; L136-A165 CarbonylContact O-C 3.49Å; L136-A165 WeakPolarHBondContact O-CA 3.43Å; L136-A165 VanDerWaalsContact O-CB 3.25Å; L136-A165 WeakPolarHBondContact O-CB 3.45Å; L136-R166 PolarHBondContact N-O 2.86Å; L136-R166 PolarHBondContact O-N 3.38Å; L136-Y168 HydrophobicContact CD2-CD1 3.7Å; L136-Y168 HydrophobicContact CD2-CE1 4.14Å; L136-Y168 HydrophobicContact CD2-CG 4.06Å; L136-Y168 HydrophobicContact CG-CD1 3.74Å; L136-Y168 HydrophobicContact CG-CG 4.05Å; L136-L201 HydrophobicContact CD1-CB 4.33Å; L136-L201 WeakPolarHBondContact CD1-O 3.5Å; L136-R203 HydrophobicContact CD2-CB 4.29Å; L136-R203 HydrophobicContact CD2-CG 3.69Å
137H98.3Very high97.8Very high1 Ų112.6 Ų12.61%0.0057%0.065CC..  trans-76-49.7174.7-167-84.8000111.6I130 D139 I140 M159 L160 D161 F162 L164 A165 D206I130-H137 HydrophobicContact CD1-CB 4.15Å; H137-D139 PolarHBondContact CE1-O 2.92Å; H137-D139 PolarHBondContact ND1-N 3.33Å; H137-D139 PolarHBondContact ND1-O 3Å; H137-D139 PolarHBondContact O-N 2.91Å; H137-I140 HydrophobicContact CB-CD1 4.46Å; H137-I140 HydrophobicContact CB-CG1 4.02Å; H137-I140 PolarHBondContact ND1-N 3.4Å; H137-M159 PolarHBondContact CD2-SD 3.21Å; H137-L160 PolarHBondContact NE2-O 2.91Å; H137-L160 VanDerWaalsContact NE2-O 3.09Å; H137-D161 PolarHBondContact CE1-O 3.31Å; H137-D161 PolarHBondContact NE2-O 3.12Å; H137-D161 VanDerWaalsContact NE2-O 3.14Å; H137-F162 AromaticContact CD2-CD1 3.91Å; H137-L164 CarbonylContact O-C 3.58Å; H137-A165 WeakPolarHBondContact O-CA 3.41Å; H137-A165 PolarHBondContact O-N 2.81Å; H137-D206 PolarHBondContact N-OD2 3.12Å
138R97.6Very high97.6Very high34 Ų3412.9 Ų12.913%0.1287%0.068CC..SBendtrans660.8178.9-49.7-169-59.9159.50117.2L136 L164 G186 L201 D206L136-R138 HydrophobicContact CB-CG 3.7Å; L136-R138 HydrophobicContact CD1-CG 4.49Å; R138-L164 PolarHBondContact NE-O 3.45Å; R138-L164 PolarHBondContact NH2-O 3.14Å; R138-G186 WeakPolarHBondContact O-CA 3.25Å; R138-L201 HydrophobicContact CB-CD1 4.16Å; R138-L201 HydrophobicContact CG-CD1 4.13Å; R138-D206 VanDerWaalsContact CA-OD1 3.32Å; R138-D206 WeakPolarHBondContact CA-OD1 3.37Å; R138-D206 PolarHBondContact N-OD1 3.37Å
139D96.6Very high97.3Very high13 Ų1315.1 Ų15.17%0.078%0.077CC..  trans-140.749.8170.6-163.734.7000112H137 K141 N144 L164 G186 T187H137-D139 PolarHBondContact CE1-O 2.92Å; H137-D139 PolarHBondContact ND1-N 3.33Å; H137-D139 PolarHBondContact ND1-O 3Å; H137-D139 PolarHBondContact O-N 2.91Å; D139-K141 PolarHBondContact O-N 3.24Å; D139-K141 WeakPolarHBondContact OD2-CE 3.41Å; D139-K141 IonicContact OD2-NZ 2.7Å; D139-K141 PolarHBondContact OD2-NZ 3Å; D139-N144 PolarHBondContact O-ND2 2.96Å; D139-N144 PolarHBondContact OD2-ND2 3.47Å; D139-L164 HydrophobicContact CB-CB 4.31Å; D139-L164 HydrophobicContact CB-CD1 3.76Å; D139-G186 VanDerWaalsContact OD1-CA 3.24Å; D139-G186 WeakPolarHBondContact OD1-CA 3.34Å; D139-T187 WeakPolarHBondContact OD1-CB 3.47Å; D139-T187 PolarHBondContact OD1-N 3.28Å; D139-T187 PolarHBondContact OD1-OG1 2.91Å
140I98.4Very high96.9Very high1 Ų116.6 Ų16.61%0.0059%0.085CC..  trans-68.2123.1173.3-78.1-178.4000109.3T127 H137 F145 M159 Y190 D206T127-I140 HydrophobicContact CG2-CD1 4.06Å; T127-I140 WeakPolarHBondContact OG1-CD1 3.27Å; H137-I140 HydrophobicContact CB-CD1 4.46Å; H137-I140 HydrophobicContact CB-CG1 4.02Å; H137-I140 PolarHBondContact ND1-N 3.4Å; I140-F145 HydrophobicContact CB-CE2 4.47Å; I140-F145 HydrophobicContact CG1-CE2 4.31Å; I140-F145 HydrophobicContact CG1-CZ 4.45Å; I140-F145 HydrophobicContact CG2-CE2 4Å; I140-M159 HydrophobicContact CD1-CE 4.41Å; I140-Y190 WeakPolarHBondContact O-CB 3.34Å; I140-D206 HydrophobicContact CD1-CB 3.66Å
141K97.1Very high96.5Very high4 Ų422.2 Ų22.22%0.01712%0.121CC..  trans-164.8159.3-179.559.9-178.2176.4172.80110.8D139 S143 N144 F145 T187 Y190 E321D139-K141 PolarHBondContact O-N 3.24Å; D139-K141 WeakPolarHBondContact OD2-CE 3.41Å; D139-K141 IonicContact OD2-NZ 2.7Å; D139-K141 PolarHBondContact OD2-NZ 3Å; K141-S143 VanDerWaalsContact C-N 3.27Å; K141-S143 VanDerWaalsContact CD-OG 3.3Å; K141-S143 WeakPolarHBondContact CD-OG 3.04Å; K141-S143 VanDerWaalsContact CE-OG 3.26Å; K141-S143 WeakPolarHBondContact CE-OG 3.41Å; K141-S143 WeakPolarHBondContact CG-OG 3.29Å; K141-S143 PolarHBondContact O-N 3.47Å; K141-S143 VanDerWaalsContact O-N 3.16Å; K141-N144 VanDerWaalsContact CE-ND2 3.25Å; K141-N144 WeakPolarHBondContact CE-ND2 3.5Å; K141-N144 WeakPolarHBondContact CE-OD1 3.45Å; K141-N144 HydrophobicContact CG-CB 3.98Å; K141-N144 PolarHBondContact O-N 3.26Å; K141-F145 WeakPolarHBondContact O-CD2 3.47Å; K141-T187 HydrophobicContact CD-CG2 4.4Å; K141-T187 VanDerWaalsContact CD-OG1 3.27Å; K141-T187 WeakPolarHBondContact CD-OG1 3.25Å; K141-T187 PolarHBondContact NZ-OG1 2.97Å; K141-Y190 HydrophobicContact CB-CD2 3.34Å; K141-Y190 HydrophobicContact CB-CE2 3.54Å; K141-Y190 HydrophobicContact CB-CG 4.07Å; K141-E321 WeakPolarHBondContact CD-OE2 2.96Å; K141-E321 VanDerWaalsContact CE-OE2 3.28Å; K141-E321 WeakPolarHBondContact CE-OE2 3.31Å; K141-E321 IonicContact NZ-OE2 3.34Å; K141-E321 PolarHBondContact NZ-OE2 3.48Å
142P97.5Very high96.2Very high0 Ų032.3 Ų32.30%016%0.159CC..G310 helixtrans-61-29.9-174.2-8.513.2000114.6L99 T100 N144 F145 Y190 M213 L217L99-P142 HydrophobicContact CB-CB 3.72Å; L99-P142 WeakPolarHBondContact CB-O 3.24Å; L99-P142 PolarHBondContact N-O 3.12Å; T100-P142 WeakPolarHBondContact OG1-CB 3.29Å; P142-N144 PolarHBondContact O-N 2.95Å; P142-F145 PolarHBondContact O-N 3.29Å; P142-Y190 WeakPolarHBondContact CD-OH 3.29Å; P142-Y190 HydrophobicContact CG-CE1 4.17Å; P142-Y190 WeakPolarHBondContact CG-OH 3.42Å; P142-M213 VanDerWaalsContact CA-SD 3.6Å; P142-M213 HydrophobicContact CB-CG 4.41Å; P142-M213 HydrophobicContact CB-SD 4.04Å; P142-M213 HydrophobicContact CG-CG 3.89Å; P142-M213 HydrophobicContact CG-SD 3.99Å; P142-M213 VanDerWaalsContact N-SD 3.45Å; P142-L217 HydrophobicContact CB-CD2 4.41Å
143S95.3Very high96Very high0 Ų029.8 Ų29.80%014%0.14CC..G310 helixtrans-70.3-18.6175.852.60000113.8T100 K141 E321T100-S143 PolarHBondContact OG1-N 3.45Å; K141-S143 VanDerWaalsContact C-N 3.27Å; K141-S143 VanDerWaalsContact CD-OG 3.3Å; K141-S143 WeakPolarHBondContact CD-OG 3.04Å; K141-S143 VanDerWaalsContact CE-OG 3.26Å; K141-S143 WeakPolarHBondContact CE-OG 3.41Å; K141-S143 WeakPolarHBondContact CG-OG 3.29Å; K141-S143 PolarHBondContact O-N 3.47Å; K141-S143 VanDerWaalsContact O-N 3.16Å; S143-E321 PolarHBondContact OG-OE1 2.87Å; S143-E321 PolarHBondContact OG-OE2 2.98Å
144N96.8Very high95.8Very high0 Ų030.8 Ų30.80%015%0.149CC..G310 helixtrans-95.612175.5-71.6-5.9000112.6D139 K141 P142 L160 Q318D139-N144 PolarHBondContact O-ND2 2.96Å; D139-N144 PolarHBondContact OD2-ND2 3.47Å; K141-N144 VanDerWaalsContact CE-ND2 3.25Å; K141-N144 WeakPolarHBondContact CE-ND2 3.5Å; K141-N144 WeakPolarHBondContact CE-OD1 3.45Å; K141-N144 HydrophobicContact CG-CB 3.98Å; K141-N144 PolarHBondContact O-N 3.26Å; P142-N144 PolarHBondContact O-N 2.95Å; N144-L160 PolarHBondContact O-N 3.46Å; N144-Q318 PolarHBondContact OD1-NE2 2.91Å
145F98.1Very high95.7Very high0 Ų035.3 Ų35.30%016%0.164CC..EExtended strand (participates in β ladder)trans-128131.5170.6-73.6-90000110N98 L99 C123 A126 I140 K141 P142 L157 Y158 M159 M213N98-F145 CarbonylContact C-O 3.49Å; N98-F145 WeakPolarHBondContact CA-O 3.27Å; N98-F145 VanDerWaalsContact CB-O 3.32Å; N98-F145 WeakPolarHBondContact CB-O 3.15Å; L99-F145 HydrophobicContact CD1-CB 3.77Å; L99-F145 HydrophobicContact CG-CB 4Å; L99-F145 PolarHBondContact N-O 3.33Å; C123-F145 HydrophobicContact CB-CE1 4.28Å; C123-F145 HydrophobicContact CB-CZ 4.36Å; A126-F145 HydrophobicContact CB-CE1 4.26Å; I140-F145 HydrophobicContact CB-CE2 4.47Å; I140-F145 HydrophobicContact CG1-CE2 4.31Å; I140-F145 HydrophobicContact CG1-CZ 4.45Å; I140-F145 HydrophobicContact CG2-CE2 4Å; K141-F145 WeakPolarHBondContact O-CD2 3.47Å; P142-F145 PolarHBondContact O-N 3.29Å; F145-L157 HydrophobicContact CB-CD1 4.03Å; F145-L157 HydrophobicContact CB-CD2 4.14Å; F145-L157 HydrophobicContact CB-CG 4.13Å; F145-L157 HydrophobicContact CD1-CD2 3.57Å; F145-L157 HydrophobicContact CD1-CG 3.92Å; F145-L157 HydrophobicContact CE1-CD2 4.32Å; F145-L157 HydrophobicContact CG-CD2 4.14Å; F145-L157 HydrophobicContact CG-CG 4.47Å; F145-Y158 CarbonylContact C-O 3.54Å; F145-Y158 VanDerWaalsContact CA-O 3.27Å; F145-Y158 WeakPolarHBondContact CA-O 3.09Å; F145-M159 HydrophobicContact CD1-CB 4.26Å; F145-M159 HydrophobicContact CE1-CB 3.87Å; F145-M159 HydrophobicContact CE1-CE 3.82Å; F145-M159 HydrophobicContact CE1-CG 4.15Å; F145-M159 HydrophobicContact CZ-CB 4.45Å; F145-M159 HydrophobicContact CZ-CE 3.52Å; F145-M159 HydrophobicContact CZ-CG 4.23Å; F145-M213 HydrophobicContact CD2-CE 4.04Å; F145-M213 HydrophobicContact CD2-SD 4.18Å; F145-M213 HydrophobicContact CE2-CE 4.06Å
146A97Very high95.7Very high0 Ų036.3 Ų36.30%017%0.171CC..EExtended strand (participates in β ladder)trans-135.2146-177.100000112.8A95 G96 R97 N98 L157 Y158 L160A95-A146 HydrophobicContact CB-CB 3.86Å; G96-A146 WeakPolarHBondContact O-CB 3.25Å; R97-A146 WeakPolarHBondContact O-CA 3.47Å; N98-A146 HydrophobicContact CB-CB 4.31Å; A146-L157 CarbonylContact O-C 3.54Å; A146-Y158 PolarHBondContact N-O 2.87Å; A146-Y158 PolarHBondContact O-N 2.98Å; A146-L160 HydrophobicContact CB-CD1 3.69Å; A146-L160 HydrophobicContact CB-CG 4.3Å
147M97.1Very high95.7Very high6 Ų636.3 Ų36.33%0.0317%0.171CC..EExtended strand (participates in β ladder)trans-74.3157174.2-59.6-54.2-60.500110.6G96 R97 L99 L102 L119 C154 R155 T156 L157 Y293 W295G96-M147 CarbonylContact C-O 3.43Å; G96-M147 WeakPolarHBondContact CA-O 3.26Å; G96-M147 PolarHBondContact N-O 3.23Å; R97-M147 PolarHBondContact O-N 3.13Å; L99-M147 HydrophobicContact CD2-SD 4.36Å; L102-M147 HydrophobicContact CD1-CG 3.58Å; L119-M147 HydrophobicContact CD2-SD 4.08Å; M147-C154 VanDerWaalsContact CE-O 3.27Å; M147-C154 WeakPolarHBondContact CE-O 3.43Å; M147-R155 WeakPolarHBondContact CE-O 3.38Å; M147-T156 CarbonylContact C-O 3.27Å; M147-T156 WeakPolarHBondContact CA-O 3.28Å; M147-L157 HydrophobicContact SD-CB 4.43Å; M147-L157 HydrophobicContact SD-CD1 3.45Å; M147-L157 WeakPolarHBondContact SD-CD1 3.47Å; M147-Y293 HydrophobicContact CE-CD2 4.26Å; M147-Y293 HydrophobicContact CE-CE2 3.9Å; M147-W295 HydrophobicContact CE-CZ2 4.13Å; M147-W295 HydrophobicContact CG-CZ2 3.75Å; M147-W295 HydrophobicContact SD-CH2 4.42Å; M147-W295 HydrophobicContact SD-CZ2 3.76Å
148G95.7Very high95.7Very high7 Ų737 Ų377%0.07217%0.174CC..  trans-61.2164.7165.600000112.3D153 T156G148-D153 WeakPolarHBondContact CA-O 3.19Å; G148-D153 VanDerWaalsContact CA-OD1 3.29Å; G148-D153 WeakPolarHBondContact CA-OD1 3.46Å; G148-T156 PolarHBondContact N-O 3.47Å
149R91.8Very high95.8Very high120 Ų12035.4 Ų35.445%0.45317%0.168SC..  trans-118-20-18069.1172.9-66.6-163.12.5113E44 L94 D153E44-R149 IonicContact OE2-CZ 3.9Å; E44-R149 VanDerWaalsContact OE2-CZ 3.26Å; E44-R149 IonicContact OE2-NH1 3.33Å; E44-R149 PolarHBondContact OE2-NH1 3.34Å; E44-R149 IonicContact OE2-NH2 2.81Å; E44-R149 PolarHBondContact OE2-NH2 3.46Å; L94-R149 WeakPolarHBondContact O-CD 3.13Å; L94-R149 WeakPolarHBondContact O-CG 3.5Å; R149-D153 PolarHBondContact N-OD1 3.03Å; R149-D153 VanDerWaalsContact N-OD1 3.11Å
150D90.1Very high95.8Very high45 Ų4535.1 Ų35.124%0.24117%0.166CC..SBendtrans-86143.8-179-173.1-75.7000108.1R152 D153 C154D150-R152 PolarHBondContact O-N 3.29Å; D150-R152 WeakPolarHBondContact OD1-CB 3.3Å; D150-R152 VanDerWaalsContact OD1-CG 3.23Å; D150-R152 WeakPolarHBondContact OD1-CG 3.39Å; D150-R152 IonicContact OD1-CZ 3.92Å; D150-R152 PolarHBondContact OD1-N 3.49Å; D150-R152 IonicContact OD1-NE 3.26Å; D150-R152 PolarHBondContact OD1-NE 2.98Å; D150-R152 IonicContact OD1-NH2 3.67Å; D150-R152 IonicContact OD2-CZ 3.21Å; D150-R152 IonicContact OD2-NE 3.88Å; D150-R152 PolarHBondContact OD2-NE 3.47Å; D150-R152 IonicContact OD2-NH2 3.7Å; D150-R152 PolarHBondContact OD2-NH2 3Å; D150-D153 WeakPolarHBondContact CB-OD1 3.25Å; D150-D153 PolarHBondContact N-OD1 3.13Å; D150-D153 CarbonylContact O-C 3.54Å; D150-D153 PolarHBondContact O-N 3.42Å; D150-C154 WeakPolarHBondContact O-CB 3.41Å; D150-C154 PolarHBondContact O-N 2.74Å
151P90.1Very high95.5Very high117 Ų11736.1 Ų36.176%0.7617%0.172SC*.THydrogen-bonded Turntrans-51.3-26.8174.8-28.836.1000114.2
152R92.7Very high95.4Very high215 Ų21536.3 Ų36.381%0.81117%0.173SC*.THydrogen-bonded Turntrans-75-22.1176.9-61.7170.3-69.1-179.3-1.8113.8D150D150-R152 PolarHBondContact O-N 3.29Å; D150-R152 WeakPolarHBondContact OD1-CB 3.3Å; D150-R152 VanDerWaalsContact OD1-CG 3.23Å; D150-R152 WeakPolarHBondContact OD1-CG 3.39Å; D150-R152 IonicContact OD1-CZ 3.92Å; D150-R152 PolarHBondContact OD1-N 3.49Å; D150-R152 IonicContact OD1-NE 3.26Å; D150-R152 PolarHBondContact OD1-NE 2.98Å; D150-R152 IonicContact OD1-NH2 3.67Å; D150-R152 IonicContact OD2-CZ 3.21Å; D150-R152 IonicContact OD2-NE 3.88Å; D150-R152 PolarHBondContact OD2-NE 3.47Å; D150-R152 IonicContact OD2-NH2 3.7Å; D150-R152 PolarHBondContact OD2-NH2 3Å
153D94.2Very high95.1Very high21 Ų2137.3 Ų37.311%0.11218%0.182CC..THydrogen-bonded Turntrans-132.85.3-174.272.114.7000115.2Q93 G148 R149 D150 R155 T156 Y158Q93-D153 PolarHBondContact NE2-OD2 2.94Å; G148-D153 WeakPolarHBondContact CA-O 3.19Å; G148-D153 VanDerWaalsContact CA-OD1 3.29Å; G148-D153 WeakPolarHBondContact CA-OD1 3.46Å; R149-D153 PolarHBondContact N-OD1 3.03Å; R149-D153 VanDerWaalsContact N-OD1 3.11Å; D150-D153 WeakPolarHBondContact CB-OD1 3.25Å; D150-D153 PolarHBondContact N-OD1 3.13Å; D150-D153 CarbonylContact O-C 3.54Å; D150-D153 PolarHBondContact O-N 3.42Å; D153-R155 PolarHBondContact O-N 3.08Å; D153-T156 WeakPolarHBondContact O-CA 3.49Å; D153-T156 VanDerWaalsContact O-CB 3.24Å; D153-T156 WeakPolarHBondContact O-CB 3.4Å; D153-T156 PolarHBondContact O-N 3.32Å; D153-T156 PolarHBondContact O-OG1 3.15Å; D153-Y158 HydrophobicContact CB-CE2 4.49Å; D153-Y158 WeakPolarHBondContact CB-OH 3.37Å; D153-Y158 PolarHBondContact OD2-OH 2.89Å; D153-Y158 VanDerWaalsContact OD2-OH 3.09Å
154C93.5Very high95Very high47 Ų4740 Ų4032%0.31820%0.196SC..THydrogen-bonded Turntrans-58.6-21-17562.50000114.9M147 D150M147-C154 VanDerWaalsContact CE-O 3.27Å; M147-C154 WeakPolarHBondContact CE-O 3.43Å; D150-C154 WeakPolarHBondContact O-CB 3.41Å; D150-C154 PolarHBondContact O-N 2.74Å
155R96.2Very high94.9Very high99 Ų9940.3 Ų40.337%0.37420%0.199SC..THydrogen-bonded Turntrans-94.7-4.2175-75.1177.5169-174.3-7.7114.5Q122 M147 D153 D290 Y293 E296Q122-R155 PolarHBondContact NE2-O 3.18Å; M147-R155 WeakPolarHBondContact CE-O 3.38Å; D153-R155 PolarHBondContact O-N 3.08Å; R155-D290 PolarHBondContact NH1-O 2.91Å; R155-D290 PolarHBondContact NH2-O 3.18Å; R155-Y293 HydrophobicContact CB-CE2 4.25Å; R155-Y293 HydrophobicContact CG-CD2 4.33Å; R155-Y293 HydrophobicContact CG-CE2 4.16Å; R155-E296 WeakPolarHBondContact CG-OE1 3.48Å; R155-E296 IonicContact CZ-OE2 3.62Å; R155-E296 IonicContact NE-OE1 3.23Å; R155-E296 PolarHBondContact NE-OE1 2.81Å; R155-E296 IonicContact NE-OE2 3.44Å; R155-E296 PolarHBondContact NE-OE2 2.8Å; R155-E296 IonicContact NH2-OE2 3.5Å; R155-E296 PolarHBondContact NH2-OE2 2.89Å
156T98Very high94.8Very high31 Ų3143.6 Ų43.619%0.1921%0.211CC..  trans-85.8131.1175.9-540000109.7T73 M147 G148 D153 Y158T73-T156 HydrophobicContact CG2-CG2 4.12Å; M147-T156 CarbonylContact C-O 3.27Å; M147-T156 WeakPolarHBondContact CA-O 3.28Å; G148-T156 PolarHBondContact N-O 3.47Å; D153-T156 WeakPolarHBondContact O-CA 3.49Å; D153-T156 VanDerWaalsContact O-CB 3.24Å; D153-T156 WeakPolarHBondContact O-CB 3.4Å; D153-T156 PolarHBondContact O-N 3.32Å; D153-T156 PolarHBondContact O-OG1 3.15Å; T156-Y158 HydrophobicContact CG2-CE1 4.19Å; T156-Y158 HydrophobicContact CG2-CE2 4.05Å
157L98.5Very high94.8Very high1 Ų145.2 Ų45.21%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-90.5133.7171.7-166.773.6000109.8H74 L99 L119 Q122 C123 F145 A146 M147H74-L157 WeakPolarHBondContact CA-O 3.44Å; H74-L157 VanDerWaalsContact CB-O 3.25Å; H74-L157 WeakPolarHBondContact CB-O 3.33Å; H74-L157 PolarHBondContact ND1-O 2.93Å; L99-L157 HydrophobicContact CD1-CD1 4.03Å; L99-L157 HydrophobicContact CD1-CD2 4.35Å; L99-L157 HydrophobicContact CD2-CD1 3.79Å; L99-L157 HydrophobicContact CG-CD1 3.97Å; L119-L157 HydrophobicContact CD2-CD1 3.98Å; L119-L157 HydrophobicContact CD2-CD2 4.32Å; Q122-L157 HydrophobicContact CB-CB 3.86Å; Q122-L157 HydrophobicContact CB-CD2 4.12Å; Q122-L157 HydrophobicContact CG-CB 4.49Å; C123-L157 WeakPolarHBondContact SG-CD2 3.43Å; F145-L157 HydrophobicContact CB-CD1 4.03Å; F145-L157 HydrophobicContact CB-CD2 4.14Å; F145-L157 HydrophobicContact CB-CG 4.13Å; F145-L157 HydrophobicContact CD1-CD2 3.57Å; F145-L157 HydrophobicContact CD1-CG 3.92Å; F145-L157 HydrophobicContact CE1-CD2 4.32Å; F145-L157 HydrophobicContact CG-CD2 4.14Å; F145-L157 HydrophobicContact CG-CG 4.47Å; A146-L157 CarbonylContact O-C 3.54Å; M147-L157 HydrophobicContact SD-CB 4.43Å; M147-L157 HydrophobicContact SD-CD1 3.45Å; M147-L157 WeakPolarHBondContact SD-CD1 3.47Å
158Y98.7Very high94.8Very high15 Ų1545.8 Ų45.86%0.05923%0.225CC..EExtended strand (participates in β ladder)trans-112.7128179.1-67.5-78.1000110.8H74 L76 F145 A146 D153 T156H74-Y158 CarbonylContact O-C 3.58Å; H74-Y158 WeakPolarHBondContact O-CA 3.46Å; L76-Y158 HydrophobicContact CD2-CD1 3.77Å; L76-Y158 HydrophobicContact CD2-CD2 4.15Å; L76-Y158 HydrophobicContact CD2-CE1 4.26Å; L76-Y158 HydrophobicContact CD2-CG 3.7Å; L76-Y158 HydrophobicContact CG-CD1 4.21Å; L76-Y158 HydrophobicContact CG-CG 4.3Å; F145-Y158 CarbonylContact C-O 3.54Å; F145-Y158 VanDerWaalsContact CA-O 3.27Å; F145-Y158 WeakPolarHBondContact CA-O 3.09Å; A146-Y158 PolarHBondContact N-O 2.87Å; A146-Y158 PolarHBondContact O-N 2.98Å; D153-Y158 HydrophobicContact CB-CE2 4.49Å; D153-Y158 WeakPolarHBondContact CB-OH 3.37Å; D153-Y158 PolarHBondContact OD2-OH 2.89Å; D153-Y158 VanDerWaalsContact OD2-OH 3.09Å; T156-Y158 HydrophobicContact CG2-CE1 4.19Å; T156-Y158 HydrophobicContact CG2-CE2 4.05Å
159M98.6Very high94.9Very high2 Ų246.4 Ų46.41%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-79.3132.9169.1-177.8-177.6-78.500109.9H74 F75 A126 I130 H137 I140 F145 F162H74-M159 PolarHBondContact O-N 2.81Å; F75-M159 HydrophobicContact CD1-CB 4.29Å; F75-M159 HydrophobicContact CE1-CB 3.92Å; F75-M159 HydrophobicContact CE1-CG 4.3Å; F75-M159 HydrophobicContact CE1-SD 3.83Å; F75-M159 HydrophobicContact CZ-SD 4.33Å; A126-M159 HydrophobicContact CB-CB 4.24Å; A126-M159 HydrophobicContact CB-CE 3.78Å; I130-M159 HydrophobicContact CB-SD 4.42Å; I130-M159 HydrophobicContact CD1-SD 4.21Å; I130-M159 HydrophobicContact CG2-CE 4.37Å; I130-M159 HydrophobicContact CG2-SD 4.16Å; H137-M159 PolarHBondContact CD2-SD 3.21Å; I140-M159 HydrophobicContact CD1-CE 4.41Å; F145-M159 HydrophobicContact CD1-CB 4.26Å; F145-M159 HydrophobicContact CE1-CB 3.87Å; F145-M159 HydrophobicContact CE1-CE 3.82Å; F145-M159 HydrophobicContact CE1-CG 4.15Å; F145-M159 HydrophobicContact CZ-CB 4.45Å; F145-M159 HydrophobicContact CZ-CE 3.52Å; F145-M159 HydrophobicContact CZ-CG 4.23Å; M159-F162 HydrophobicContact CG-CE1 4.08Å; M159-F162 HydrophobicContact SD-CE1 4.14Å
160L96Very high95.1Very high6 Ų642.8 Ų42.83%0.03122%0.218CC..  trans-121.7161.5-174.4-48.7-178.2000111.5L76 H137 N144 A146 Y315L76-L160 HydrophobicContact CD1-CD2 3.42Å; L76-L160 VanDerWaalsContact CD1-CD2 3.42Å; L76-L160 HydrophobicContact CG-CD2 4.04Å; H137-L160 PolarHBondContact NE2-O 2.91Å; H137-L160 VanDerWaalsContact NE2-O 3.09Å; N144-L160 PolarHBondContact O-N 3.46Å; A146-L160 HydrophobicContact CB-CD1 3.69Å; A146-L160 HydrophobicContact CB-CG 4.3Å; L160-Y315 HydrophobicContact CD1-CE1 4.17Å
161D92.9Very high95.2Very high23 Ų2351 Ų5112%0.12325%0.252CS..  trans6086.5168.4-166.80.3000115.8K48 H137 G163 Q318 Q322K48-D161 IonicContact NZ-OD1 3.4Å; H137-D161 PolarHBondContact CE1-O 3.31Å; H137-D161 PolarHBondContact NE2-O 3.12Å; H137-D161 VanDerWaalsContact NE2-O 3.14Å; D161-G163 VanDerWaalsContact C-N 3.28Å; D161-G163 PolarHBondContact O-N 2.98Å; D161-G163 PolarHBondContact OD1-N 2.82Å; D161-G163 VanDerWaalsContact OD1-N 3.1Å; D161-Q318 VanDerWaalsContact CB-NE2 3.33Å; D161-Q322 PolarHBondContact OD2-NE2 3.08Å
162F94.9Very high95.3Very high8 Ų850.7 Ų50.74%0.03525%0.248CC..  trans-89.214.2176.4-45.8-63.6000113.3E62 V65 L66 L69 F75 I130 H137 M159 L164 A165E62-F162 HydrophobicContact CG-CB 4.23Å; V65-F162 HydrophobicContact CB-CB 4.01Å; V65-F162 HydrophobicContact CB-CD2 4.33Å; V65-F162 HydrophobicContact CB-CG 4.14Å; V65-F162 HydrophobicContact CG1-CB 3.91Å; V65-F162 HydrophobicContact CG1-CD1 3.99Å; V65-F162 HydrophobicContact CG1-CD2 4.13Å; V65-F162 HydrophobicContact CG1-CG 3.7Å; V65-F162 HydrophobicContact CG2-CB 4.5Å; L66-F162 HydrophobicContact CB-CD2 4.22Å; L66-F162 HydrophobicContact CB-CE2 3.98Å; L66-F162 HydrophobicContact CD1-CE2 3.86Å; L66-F162 HydrophobicContact CD1-CZ 4.49Å; L66-F162 HydrophobicContact CG-CE2 4.47Å; L69-F162 HydrophobicContact CD1-CE1 4Å; L69-F162 HydrophobicContact CD1-CE2 4.35Å; L69-F162 HydrophobicContact CD1-CZ 3.92Å; F75-F162 HydrophobicContact CD1-CE1 4.26Å; F75-F162 AromaticContact CD1-CZ 3.83Å; F75-F162 HydrophobicContact CD1-CZ 3.83Å; F75-F162 HydrophobicContact CE1-CE1 4.13Å; F75-F162 HydrophobicContact CE1-CZ 4.17Å; I130-F162 HydrophobicContact CD1-CD1 3.84Å; I130-F162 HydrophobicContact CD1-CE1 4.11Å; H137-F162 AromaticContact CD2-CD1 3.91Å; M159-F162 HydrophobicContact CG-CE1 4.08Å; M159-F162 HydrophobicContact SD-CE1 4.14Å; F162-L164 PolarHBondContact O-N 3.33Å; F162-L164 VanDerWaalsContact O-N 3.14Å; F162-A165 HydrophobicContact CB-CB 4.07Å; F162-A165 VanDerWaalsContact O-CB 3.25Å; F162-A165 WeakPolarHBondContact O-CB 3.35Å; F162-A165 PolarHBondContact O-N 2.81Å
163G91.4Very high95.3Very high20 Ų2042.8 Ų42.821%0.20623%0.233CC..THydrogen-bonded Turntrans-63.4-24.4-17300000113.4E62 D161E62-G163 WeakPolarHBondContact OE1-CA 3.46Å; D161-G163 VanDerWaalsContact C-N 3.28Å; D161-G163 PolarHBondContact O-N 2.98Å; D161-G163 PolarHBondContact OD1-N 2.82Å; D161-G163 VanDerWaalsContact OD1-N 3.1Å
164L92.6Very high95.3Very high56 Ų5648 Ų4829%0.29326%0.257SS..THydrogen-bonded Turntrans-101.22.3174.9-65.9-179.3000113.8H137 R138 D139 F162H137-L164 CarbonylContact O-C 3.58Å; R138-L164 PolarHBondContact NE-O 3.45Å; R138-L164 PolarHBondContact NH2-O 3.14Å; D139-L164 HydrophobicContact CB-CB 4.31Å; D139-L164 HydrophobicContact CB-CD1 3.76Å; F162-L164 PolarHBondContact O-N 3.33Å; F162-L164 VanDerWaalsContact O-N 3.14Å
165A95.8Very high95.4Very high7 Ų748.2 Ų48.26%0.05826%0.255CS..  trans-62.2157.8-178.800000111.9F61 L136 H137 F162F61-A165 HydrophobicContact CE1-CB 3.89Å; F61-A165 VanDerWaalsContact CE1-O 3.29Å; F61-A165 WeakPolarHBondContact CE1-O 3.48Å; F61-A165 HydrophobicContact CZ-CB 4.37Å; L136-A165 CarbonylContact O-C 3.49Å; L136-A165 WeakPolarHBondContact O-CA 3.43Å; L136-A165 VanDerWaalsContact O-CB 3.25Å; L136-A165 WeakPolarHBondContact O-CB 3.45Å; H137-A165 WeakPolarHBondContact O-CA 3.41Å; H137-A165 PolarHBondContact O-N 2.81Å; F162-A165 HydrophobicContact CB-CB 4.07Å; F162-A165 VanDerWaalsContact O-CB 3.25Å; F162-A165 WeakPolarHBondContact O-CB 3.35Å; F162-A165 PolarHBondContact O-N 2.81Å
166R95.6Very high95.5Very high69 Ų6948.7 Ų48.726%0.2626%0.256SS..EExtended strand (participates in β ladder)trans-144.8130.1179.2177.2170.9176.872.90.5111F135 L136 Y168 R179 E200F135-R166 WeakPolarHBondContact CA-O 3.27Å; L136-R166 PolarHBondContact N-O 2.86Å; L136-R166 PolarHBondContact O-N 3.38Å; R166-Y168 PolarHBondContact O-N 3.42Å; R166-R179 VanDerWaalsContact NH2-NE 3.11Å; R166-E200 IonicContact CZ-OE2 3.84Å; R166-E200 IonicContact NE-OE1 3.78Å; R166-E200 IonicContact NE-OE2 2.69Å; R166-E200 PolarHBondContact NE-OE2 3.46Å; R166-E200 IonicContact NH2-OE2 3.94Å; R166-E200 PolarHBondContact NH2-OE2 3.24Å
167C96.9Very high95.4Very high34 Ų3454.3 Ų54.323%0.2328%0.28CS..EExtended strand (participates in β ladder)trans-65.8115.9169.8-170.50000108.9G134 F135 T169 R176G134-C167 CarbonylContact O-C 3.57Å; G134-C167 VanDerWaalsContact O-CA 3.29Å; G134-C167 WeakPolarHBondContact O-CA 3.03Å; F135-C167 HydrophobicContact CD1-CB 4.1Å; F135-C167 HydrophobicContact CE1-CB 3.54Å; F135-C167 HydrophobicContact CZ-CB 3.75Å; C167-T169 PolarHBondContact SG-O 2.91Å; C167-R176 WeakPolarHBondContact O-CD 3.23Å
168Y97.5Very high95.3Very high19 Ų1956.6 Ų56.68%0.07530%0.296CS..  trans-97.7-4.917872.8-85.2000112.2H131 G134 L136 R166 L175 R176 R203H131-Y168 PolarHBondContact O-OH 3.28Å; G134-Y168 WeakPolarHBondContact O-CD1 3.08Å; G134-Y168 WeakPolarHBondContact O-CE1 3.45Å; G134-Y168 PolarHBondContact O-N 3.02Å; L136-Y168 HydrophobicContact CD2-CD1 3.7Å; L136-Y168 HydrophobicContact CD2-CE1 4.14Å; L136-Y168 HydrophobicContact CD2-CG 4.06Å; L136-Y168 HydrophobicContact CG-CD1 3.74Å; L136-Y168 HydrophobicContact CG-CG 4.05Å; R166-Y168 PolarHBondContact O-N 3.42Å; Y168-L175 HydrophobicContact CD2-CD2 3.5Å; Y168-L175 HydrophobicContact CE2-CD2 3.46Å; Y168-L175 VanDerWaalsContact CE2-CD2 3.46Å; Y168-R176 WeakPolarHBondContact O-CB 3.26Å; Y168-R176 PolarHBondContact O-N 3.41Å; Y168-R203 HydrophobicContact CE1-CG 4.42Å; Y168-R203 HydrophobicContact CE2-CG 4.18Å
169T97.5Very high95.2Very high20 Ų2060.8 Ų60.812%0.12331%0.311CS..BIsolated β-bridgetrans-108.2159.3176.9590000112.7G134 C167 E174 L175 R176G134-T169 WeakPolarHBondContact CA-OG1 3.39Å; C167-T169 PolarHBondContact SG-O 2.91Å; T169-E174 CarbonylContact C-O 3.36Å; T169-E174 WeakPolarHBondContact CA-O 3.14Å; T169-E174 WeakPolarHBondContact CB-O 3.33Å; T169-L175 HydrophobicContact CG2-CD2 4.49Å; T169-R176 PolarHBondContact O-NE 3.35Å; T169-R176 PolarHBondContact O-NH2 2.94Å
170T95.8Very high94.8Very high43 Ų4369.1 Ų69.126%0.26435%0.354SS..  trans-79.8176.9168.767.30000110T172 G173 E174 R176T170-T172 PolarHBondContact O-N 2.81Å; T170-T172 PolarHBondContact OG1-N 3.08Å; T170-T172 PolarHBondContact OG1-OG1 2.94Å; T170-G173 PolarHBondContact O-N 2.89Å; T170-G173 VanDerWaalsContact O-N 3.1Å; T170-E174 HydrophobicContact CG2-CB 4.33Å; T170-E174 PolarHBondContact N-O 3.34Å; T170-E174 PolarHBondContact OG1-N 3.27Å; T170-E174 PolarHBondContact OG1-O 2.95Å; T170-R176 HydrophobicContact CG2-CG 4.16Å
171K91.1Very high94.5Very high218 Ų21877.5 Ų77.595%0.94839%0.39SS*.THydrogen-bonded Turntrans-62.7-24.1173.8-66.1-176.4179.6-179.40112.9G173K171-G173 VanDerWaalsContact C-N 3.34Å
172T93.4Very high94.4Very high110 Ų11076.9 Ų76.968%0.67539%0.388SS*.THydrogen-bonded Turntrans-88.1-1.9177.753.10000112.8T170T170-T172 PolarHBondContact O-N 2.81Å; T170-T172 PolarHBondContact OG1-N 3.08Å; T170-T172 PolarHBondContact OG1-OG1 2.94Å
173G91.4Very high94.2Very high49 Ų4979 Ų7951%0.50541%0.412SS..SBendtrans89.6-4.2-179.800000114.7T170 K171T170-G173 PolarHBondContact O-N 2.89Å; T170-G173 VanDerWaalsContact O-N 3.1Å; K171-G173 VanDerWaalsContact C-N 3.34Å
174E95Very high94.2Very high131 Ų13180.4 Ų80.461%0.61241%0.412SS*.PPolyproline II helixtrans-70.2153.5176.6-61.5174.4154.800111.7T169 T170 R176T169-E174 CarbonylContact C-O 3.36Å; T169-E174 WeakPolarHBondContact CA-O 3.14Å; T169-E174 WeakPolarHBondContact CB-O 3.33Å; T170-E174 HydrophobicContact CG2-CB 4.33Å; T170-E174 PolarHBondContact N-O 3.34Å; T170-E174 PolarHBondContact OG1-N 3.27Å; T170-E174 PolarHBondContact OG1-O 2.95Å; E174-R176 PolarHBondContact O-N 3.05Å
175L96.5Very high93.9Very high52 Ų5283.7 Ų83.727%0.27242%0.421SS..BIsolated β-bridgetrans-67.6134.2175.4-60.4177.6000110.7Y168 T169 F266Y168-L175 HydrophobicContact CD2-CD2 3.5Å; Y168-L175 HydrophobicContact CE2-CD2 3.46Å; Y168-L175 VanDerWaalsContact CE2-CD2 3.46Å; T169-L175 HydrophobicContact CG2-CD2 4.49Å; L175-F266 HydrophobicContact CB-CD1 4.32Å; L175-F266 HydrophobicContact CD1-CB 4.22Å; L175-F266 HydrophobicContact CD1-CD1 3.85Å; L175-F266 WeakPolarHBondContact CD1-O 3.11Å
176R97.2Very high93.6Very high109 Ų10984.2 Ų84.241%0.41143%0.427SS..PPolyproline II helixtrans-67.3150.7170.8-69.5178.4177.9-98.2-1.8109.9C167 Y168 T169 T170 E174 Y265C167-R176 WeakPolarHBondContact O-CD 3.23Å; Y168-R176 WeakPolarHBondContact O-CB 3.26Å; Y168-R176 PolarHBondContact O-N 3.41Å; T169-R176 PolarHBondContact O-NE 3.35Å; T169-R176 PolarHBondContact O-NH2 2.94Å; T170-R176 HydrophobicContact CG2-CG 4.16Å; E174-R176 PolarHBondContact O-N 3.05Å; R176-Y265 VanDerWaalsContact O-CE1 3.23Å; R176-Y265 WeakPolarHBondContact O-CE1 3.41Å; R176-Y265 PolarHBondContact O-OH 3.33Å; R176-Y265 VanDerWaalsContact O-OH 3.07Å
177Q96.9Very high93.5Very high148 Ų14882.4 Ų82.469%0.69242%0.423SS*.PPolyproline II helixtrans-68.1137.4171.1-67.6-60.6-31.800110.7
178P96.5Very high93.5Very high50 Ų5083.3 Ų83.333%0.32543%0.425SS..PPolyproline II helixtrans-67.9135.6179.427.9-33.7000110.4E200 Y265 F266P178-E200 HydrophobicContact CB-CB 3.74Å; P178-E200 HydrophobicContact CB-CG 4.15Å; P178-Y265 HydrophobicContact CB-CD1 4.05Å; P178-Y265 HydrophobicContact CB-CE1 4.08Å; P178-Y265 HydrophobicContact CB-CG 4.28Å; P178-Y265 HydrophobicContact CG-CD1 4.12Å; P178-Y265 HydrophobicContact CG-CE1 4.3Å; P178-F266 VanDerWaalsContact CD-CZ 3.48Å; P178-F266 HydrophobicContact CG-CE2 4.34Å; P178-F266 HydrophobicContact CG-CZ 4Å
179R95.4Very high93.4Very high102 Ų10286.7 Ų86.739%0.38544%0.438SS..PPolyproline II helixtrans-68.7141.5172.3-66.5172.2-68.2167.73.6109.9R166 K181 C182 E200R166-R179 VanDerWaalsContact NH2-NE 3.11Å; R179-K181 VanDerWaalsContact C-N 3.31Å; R179-K181 PolarHBondContact O-N 2.89Å; R179-C182 VanDerWaalsContact CZ-SG 3.58Å; R179-C182 PolarHBondContact NH2-SG 2.75Å; R179-C182 VanDerWaalsContact NH2-SG 3.4Å; R179-E200 IonicContact CZ-OE1 3.74Å; R179-E200 IonicContact CZ-OE2 3.74Å; R179-E200 VanDerWaalsContact CZ-OE2 3.3Å; R179-E200 IonicContact NE-OE1 2.76Å; R179-E200 IonicContact NE-OE2 3.75Å; R179-E200 PolarHBondContact NE-OE2 3.36Å; R179-E200 VanDerWaalsContact NH2-CD 3.32Å; R179-E200 IonicContact NH2-OE1 3.4Å; R179-E200 PolarHBondContact NH2-OE1 3.35Å; R179-E200 IonicContact NH2-OE2 2.89Å; R179-E200 PolarHBondContact NH2-OE2 3.45Å; R179-E200 VanDerWaalsContact NH2-OE2 3.11Å
180I91.8Very high93.4Very high177 Ų17786 Ų8691%0.90843%0.433SS*.SBendtrans-58-42.8-177.8-59.9173.6000111.8
181K89Confident93.5Very high182 Ų18284.2 Ų84.279%0.79142%0.423SS*.  trans-135.7129.3178.3-167172.7-176.6176.70110R179R179-K181 VanDerWaalsContact C-N 3.31Å; R179-K181 PolarHBondContact O-N 2.89Å
182C91.4Very high93.8Very high11 Ų1173.9 Ų73.97%0.07438%0.378CS..  trans-117.7136.6176.9-670000109.9R179 G198 E200R179-C182 VanDerWaalsContact CZ-SG 3.58Å; R179-C182 PolarHBondContact NH2-SG 2.75Å; R179-C182 VanDerWaalsContact NH2-SG 3.4Å; C182-G198 PolarHBondContact N-O 3.36Å; C182-G198 WeakPolarHBondContact O-CA 3.5Å; C182-E200 VanDerWaalsContact SG-CA 3.54Å
183G90.1Very high93.9Very high52 Ų5269.7 Ų69.754%0.53635%0.353SS..  trans-66.9145.1166.900000110.2R185G183-R185 PolarHBondContact O-N 2.97Å
184F91.9Very high94.1Very high49 Ų4968.9 Ų68.922%0.21534%0.337CS..  trans-55.1137.3174.5-177.5-92.9000110.6G186 I188 A191 A195 K230F184-G186 WeakPolarHBondContact CE1-O 3.33Å; F184-I188 HydrophobicContact CE1-CG1 3.87Å; F184-I188 HydrophobicContact CZ-CB 4.47Å; F184-I188 HydrophobicContact CZ-CG1 3.92Å; F184-A191 HydrophobicContact CE2-CB 3.56Å; F184-A191 HydrophobicContact CZ-CB 3.57Å; F184-A195 HydrophobicContact CD2-CB 4.31Å; F184-A195 HydrophobicContact CE2-CB 4.12Å; F184-K230 HydrophobicContact CB-CD 4.17Å; F184-K230 HydrophobicContact CD1-CD 4.29Å; F184-K230 HydrophobicContact CD2-CD 4.12Å; F184-K230 HydrophobicContact CD2-CG 4.48Å; F184-K230 HydrophobicContact CG-CD 3.93Å
185R85.6Confident94.2Very high126 Ų12663 Ų6348%0.47531%0.31SS..  trans-140.1150175.8-66.9-64.7-176.8-91.66.2108.4G183G183-R185 PolarHBondContact O-N 2.97Å
186G90.3Very high94.1Very high18 Ų1861.8 Ų61.819%0.18630%0.303CS..SBendtrans90.5-170.9-177.600000113R138 D139 F184R138-G186 WeakPolarHBondContact O-CA 3.25Å; D139-G186 VanDerWaalsContact OD1-CA 3.24Å; D139-G186 WeakPolarHBondContact OD1-CA 3.34Å; F184-G186 WeakPolarHBondContact CE1-O 3.33Å
187T93.5Very high94Very high30 Ų3059 Ų5918%0.18430%0.303CS..  trans-92.7122.7-174.6-590000111.6D139 K141 R189 Y190 A191D139-T187 WeakPolarHBondContact OD1-CB 3.47Å; D139-T187 PolarHBondContact OD1-N 3.28Å; D139-T187 PolarHBondContact OD1-OG1 2.91Å; K141-T187 HydrophobicContact CD-CG2 4.4Å; K141-T187 VanDerWaalsContact CD-OG1 3.27Å; K141-T187 WeakPolarHBondContact CD-OG1 3.25Å; K141-T187 PolarHBondContact NZ-OG1 2.97Å; T187-R189 HydrophobicContact CG2-CB 4.36Å; T187-R189 PolarHBondContact O-N 3.1Å; T187-Y190 HydrophobicContact CG2-CD2 3.87Å; T187-Y190 HydrophobicContact CG2-CE2 4.15Å; T187-Y190 PolarHBondContact O-N 2.64Å; T187-A191 WeakPolarHBondContact O-CB 3.39Å; T187-A191 PolarHBondContact O-N 3.2Å
188I95.5Very high93.9Very high53 Ų5352.8 Ų52.827%0.27228%0.279SS..THydrogen-bonded Turntrans-43.2-44.6-176.7-70.2173.8000113F184 Y190 H196 K230 V233 K237F184-I188 HydrophobicContact CE1-CG1 3.87Å; F184-I188 HydrophobicContact CZ-CB 4.47Å; F184-I188 HydrophobicContact CZ-CG1 3.92Å; I188-Y190 PolarHBondContact O-N 3.05Å; I188-H196 PolarHBondContact O-NE2 3.23Å; I188-K230 HydrophobicContact CD1-CB 3.96Å; I188-K230 HydrophobicContact CD1-CG 4.32Å; I188-K230 HydrophobicContact CG1-CB 4.44Å; I188-K230 HydrophobicContact CG1-CG 4.29Å; I188-V233 HydrophobicContact CG2-CB 3.85Å; I188-V233 HydrophobicContact CG2-CG1 3.85Å; I188-V233 HydrophobicContact CG2-CG2 3.79Å; I188-K237 PolarHBondContact O-NZ 2.63Å
189R96.1Very high93.9Very high90 Ų9055.9 Ų55.934%0.3429%0.288SS..THydrogen-bonded Turntrans-60.6-40.5-176.8-171.6177.3-61.8176.55.6113.3T187 E216 L222 W224 K237T187-R189 HydrophobicContact CG2-CB 4.36Å; T187-R189 PolarHBondContact O-N 3.1Å; R189-E216 WeakPolarHBondContact CD-OE1 3.36Å; R189-E216 IonicContact CZ-OE1 2.72Å; R189-E216 IonicContact NE-OE1 3.6Å; R189-E216 IonicContact NH1-OE1 3.53Å; R189-E216 PolarHBondContact NH1-OE1 3.49Å; R189-L222 HydrophobicContact CG-CD1 3.75Å; R189-W224 PolarHBondContact O-NE1 3.03Å; R189-K237 PolarHBondContact O-NZ 3.44Å
190Y97.6Very high93.9Very high5 Ų551.7 Ų51.72%0.0227%0.272CS..THydrogen-bonded Turntrans-105.6-13.9-174.4-48.6-74.6000113.4I140 K141 P142 T187 I188 S209 Y212 E216 L222I140-Y190 WeakPolarHBondContact O-CB 3.34Å; K141-Y190 HydrophobicContact CB-CD2 3.34Å; K141-Y190 HydrophobicContact CB-CE2 3.54Å; K141-Y190 HydrophobicContact CB-CG 4.07Å; P142-Y190 WeakPolarHBondContact CD-OH 3.29Å; P142-Y190 HydrophobicContact CG-CE1 4.17Å; P142-Y190 WeakPolarHBondContact CG-OH 3.42Å; T187-Y190 HydrophobicContact CG2-CD2 3.87Å; T187-Y190 HydrophobicContact CG2-CE2 4.15Å; T187-Y190 PolarHBondContact O-N 2.64Å; I188-Y190 PolarHBondContact O-N 3.05Å; Y190-S209 WeakPolarHBondContact O-CA 3.45Å; Y190-S209 PolarHBondContact O-OG 2.81Å; Y190-S209 VanDerWaalsContact O-OG 3.11Å; Y190-Y212 WeakPolarHBondContact O-CD2 3.44Å; Y190-E216 PolarHBondContact OH-OE2 2.86Å; Y190-L222 HydrophobicContact CD1-CD1 4.24Å; Y190-L222 HydrophobicContact CE1-CD1 4.19Å
191A96.9Very high94.2Very high7 Ų743.9 Ų43.96%0.05823%0.233CC..  trans-58.6139.5-179.400000113.2F184 T187 A195 K237F184-A191 HydrophobicContact CE2-CB 3.56Å; F184-A191 HydrophobicContact CZ-CB 3.57Å; T187-A191 WeakPolarHBondContact O-CB 3.39Å; T187-A191 PolarHBondContact O-N 3.2Å; A191-A195 HydrophobicContact CB-CB 3.91Å; A191-K237 PolarHBondContact O-NZ 3.46Å
192S97.2Very high94.6Very high1 Ų135.4 Ų35.41%0.00720%0.196CC..  trans-65.7164.518078.30000113N194 A195 H196 D205S192-N194 PolarHBondContact O-N 3.33Å; S192-N194 PolarHBondContact OG-N 3.33Å; S192-A195 WeakPolarHBondContact O-CB 3.24Å; S192-A195 PolarHBondContact O-N 2.8Å; S192-A195 VanDerWaalsContact O-N 3.15Å; S192-A195 PolarHBondContact OG-N 2.94Å; S192-H196 PolarHBondContact O-CD2 2.7Å; S192-H196 PolarHBondContact O-N 3.14Å; S192-D205 VanDerWaalsContact CB-OD1 3.23Å; S192-D205 WeakPolarHBondContact CB-OD1 3.35Å; S192-D205 VanDerWaalsContact OG-CG 3.31Å; S192-D205 PolarHBondContact OG-OD1 3.27Å
193P96.1Very high95Very high22 Ų2235.8 Ų35.814%0.14320%0.196CC..Hα-helixtrans-55.8-32.4170.6-25.534.8000113.5H196 A197 K237 M238P193-H196 PolarHBondContact O-N 3.49Å; P193-A197 WeakPolarHBondContact O-CB 3.45Å; P193-A197 PolarHBondContact O-N 2.83Å; P193-K237 HydrophobicContact CG-CB 4.41Å; P193-M238 HydrophobicContact CB-CG 4.25Å; P193-M238 WeakPolarHBondContact O-CE 3.17Å
194N96.4Very high95.4Very high32 Ų3233.5 Ų33.517%0.17117%0.172CC..Hα-helixtrans-69.4-36.6178.2-62.7-48.7000112.3S192 A197 G198 K199 L201 H204 D205S192-N194 PolarHBondContact O-N 3.33Å; S192-N194 PolarHBondContact OG-N 3.33Å; N194-A197 CarbonylContact O-C 3.5Å; N194-A197 PolarHBondContact O-N 3.38Å; N194-G198 PolarHBondContact O-N 3.14Å; N194-K199 HydrophobicContact CB-CB 4.22Å; N194-K199 HydrophobicContact CB-CD 4.21Å; N194-K199 PolarHBondContact O-N 3.09Å; N194-K199 WeakPolarHBondContact OD1-CD 3.27Å; N194-K199 PolarHBondContact OD1-NZ 3.34Å; N194-L201 HydrophobicContact CB-CD2 4.39Å; N194-H204 PolarHBondContact ND2-NE2 3.43Å; N194-D205 WeakPolarHBondContact CB-OD1 3.36Å; N194-D205 PolarHBondContact ND2-OD1 3.13Å
195A96.2Very high95.7Very high6 Ų631.3 Ų31.35%0.0516%0.162CC..Hα-helixtrans-61.6-45173.500000111.4F184 A191 S192 A197 G198 L201F184-A195 HydrophobicContact CD2-CB 4.31Å; F184-A195 HydrophobicContact CE2-CB 4.12Å; A191-A195 HydrophobicContact CB-CB 3.91Å; S192-A195 WeakPolarHBondContact O-CB 3.24Å; S192-A195 PolarHBondContact O-N 2.8Å; S192-A195 VanDerWaalsContact O-N 3.15Å; S192-A195 PolarHBondContact OG-N 2.94Å; A195-A197 VanDerWaalsContact C-N 3.3Å; A195-A197 PolarHBondContact O-N 3.37Å; A195-G198 PolarHBondContact O-N 3.34Å; A195-G198 VanDerWaalsContact O-N 3.16Å; A195-L201 HydrophobicContact CB-CD1 4.29Å; A195-L201 HydrophobicContact CB-CD2 3.72Å
196H95.7Very high96.3Very high28 Ų2825.4 Ų25.413%0.1314%0.14CC..Hα-helixtrans-62.8-35.5174.6-81-76.2000112.8I188 S192 P193 G198 K230 G234 M238I188-H196 PolarHBondContact O-NE2 3.23Å; S192-H196 PolarHBondContact O-CD2 2.7Å; S192-H196 PolarHBondContact O-N 3.14Å; P193-H196 PolarHBondContact O-N 3.49Å; H196-G198 PolarHBondContact O-N 3.42Å; H196-K230 PolarHBondContact CE1-O 3.41Å; H196-K230 VanDerWaalsContact CE1-O 3.29Å; H196-K230 PolarHBondContact ND1-O 2.73Å; H196-K230 VanDerWaalsContact ND1-O 3.13Å; H196-G234 VanDerWaalsContact CG-CA 3.45Å; H196-G234 WeakPolarHBondContact ND1-CA 3.47Å; H196-M238 HydrophobicContact CB-CE 4.47Å
197A94.6Very high96.7Very high50 Ų5024.5 Ų24.541%0.41313%0.131SC..THydrogen-bonded Turntrans-77.1-0.617600000114.5P193 N194 A195 K199 M238P193-A197 WeakPolarHBondContact O-CB 3.45Å; P193-A197 PolarHBondContact O-N 2.83Å; N194-A197 CarbonylContact O-C 3.5Å; N194-A197 PolarHBondContact O-N 3.38Å; A195-A197 VanDerWaalsContact C-N 3.3Å; A195-A197 PolarHBondContact O-N 3.37Å; A197-K199 VanDerWaalsContact C-N 3.29Å; A197-K199 HydrophobicContact CB-CD 4.43Å; A197-K199 HydrophobicContact CB-CG 4.18Å; A197-K199 PolarHBondContact O-N 2.89Å; A197-M238 HydrophobicContact CB-CE 3.96Å
198G94.3Very high97Very high18 Ų1823.9 Ų23.919%0.18613%0.125CC..THydrogen-bonded Turntrans6923.8-179.900000114.5C182 N194 A195 H196C182-G198 PolarHBondContact N-O 3.36Å; C182-G198 WeakPolarHBondContact O-CA 3.5Å; N194-G198 PolarHBondContact O-N 3.14Å; A195-G198 PolarHBondContact O-N 3.34Å; A195-G198 VanDerWaalsContact O-N 3.16Å; H196-G198 PolarHBondContact O-N 3.42Å
199K95.8Very high97.1Very high115 Ų11521.7 Ų21.750%0.512%0.115SC..PPolyproline II helixtrans-81.8160.1175.6-62.7179.7-175172.90111N194 A197 L201N194-K199 HydrophobicContact CB-CB 4.22Å; N194-K199 HydrophobicContact CB-CD 4.21Å; N194-K199 PolarHBondContact O-N 3.09Å; N194-K199 WeakPolarHBondContact OD1-CD 3.27Å; N194-K199 PolarHBondContact OD1-NZ 3.34Å; A197-K199 VanDerWaalsContact C-N 3.29Å; A197-K199 HydrophobicContact CB-CD 4.43Å; A197-K199 HydrophobicContact CB-CG 4.18Å; A197-K199 PolarHBondContact O-N 2.89Å; K199-L201 PolarHBondContact O-N 2.81Å
200E96.8Very high97.2Very high13 Ų1317.4 Ų17.46%0.06110%0.099CC..PPolyproline II helixtrans-64.8132.9166-173.771.5-78.500109.4R166 P178 R179 C182 Y265R166-E200 IonicContact CZ-OE2 3.84Å; R166-E200 IonicContact NE-OE1 3.78Å; R166-E200 IonicContact NE-OE2 2.69Å; R166-E200 PolarHBondContact NE-OE2 3.46Å; R166-E200 IonicContact NH2-OE2 3.94Å; R166-E200 PolarHBondContact NH2-OE2 3.24Å; P178-E200 HydrophobicContact CB-CB 3.74Å; P178-E200 HydrophobicContact CB-CG 4.15Å; R179-E200 IonicContact CZ-OE1 3.74Å; R179-E200 IonicContact CZ-OE2 3.74Å; R179-E200 VanDerWaalsContact CZ-OE2 3.3Å; R179-E200 IonicContact NE-OE1 2.76Å; R179-E200 IonicContact NE-OE2 3.75Å; R179-E200 PolarHBondContact NE-OE2 3.36Å; R179-E200 VanDerWaalsContact NH2-CD 3.32Å; R179-E200 IonicContact NH2-OE1 3.4Å; R179-E200 PolarHBondContact NH2-OE1 3.35Å; R179-E200 IonicContact NH2-OE2 2.89Å; R179-E200 PolarHBondContact NH2-OE2 3.45Å; R179-E200 VanDerWaalsContact NH2-OE2 3.11Å; C182-E200 VanDerWaalsContact SG-CA 3.54Å; E200-Y265 HydrophobicContact CB-CD2 4.47Å; E200-Y265 HydrophobicContact CB-CE2 4.34Å; E200-Y265 HydrophobicContact CG-CD2 4.16Å; E200-Y265 HydrophobicContact CG-CE2 3.57Å
201L97.7Very high97.3Very high14 Ų1417.1 Ų17.17%0.07310%0.098CC..PPolyproline II helixtrans-80.8139.9-178.7-57-172000110.5L136 R138 N194 A195 K199 D205 Y265L136-L201 HydrophobicContact CD1-CB 4.33Å; L136-L201 WeakPolarHBondContact CD1-O 3.5Å; R138-L201 HydrophobicContact CB-CD1 4.16Å; R138-L201 HydrophobicContact CG-CD1 4.13Å; N194-L201 HydrophobicContact CB-CD2 4.39Å; A195-L201 HydrophobicContact CB-CD1 4.29Å; A195-L201 HydrophobicContact CB-CD2 3.72Å; K199-L201 PolarHBondContact O-N 2.81Å; L201-D205 VanDerWaalsContact CA-OD2 3.27Å; L201-D205 WeakPolarHBondContact CA-OD2 3.46Å; L201-D205 HydrophobicContact CB-CB 4.19Å; L201-D205 HydrophobicContact CD2-CB 4.15Å; L201-Y265 VanDerWaalsContact O-CE2 3.23Å; L201-Y265 WeakPolarHBondContact O-CE2 3.46Å
202G97.9Very high97.4Very high3 Ų317 Ų173%0.03110%0.095CC..  trans-112.1-174.2170.700000112H204 D205G202-H204 VanDerWaalsContact C-N 3.25Å; G202-H204 PolarHBondContact O-N 3.39Å; G202-D205 PolarHBondContact N-OD2 3.34Å; G202-D205 WeakPolarHBondContact O-CB 3.21Å; G202-D205 PolarHBondContact O-N 3.02Å; G202-D205 VanDerWaalsContact O-N 3.15Å
203R98.7Very high97.4Very high19 Ų1917 Ų177%0.07210%0.096CC..Hα-helixtrans-62.3-32.1-178-68168.9-76.7-167.80.4113.2H131 L136 Y168 D205 F266 D267 T268 P269 Y271H131-R203 HydrophobicContact CB-CG 4.35Å; H131-R203 PolarHBondContact CE1-O 2.95Å; L136-R203 HydrophobicContact CD2-CB 4.29Å; L136-R203 HydrophobicContact CD2-CG 3.69Å; Y168-R203 HydrophobicContact CE1-CG 4.42Å; Y168-R203 HydrophobicContact CE2-CG 4.18Å; R203-D205 VanDerWaalsContact C-N 3.27Å; R203-D205 PolarHBondContact O-N 2.84Å; R203-F266 PolarHBondContact NH2-O 3.44Å; R203-D267 PolarHBondContact NE-O 3.45Å; R203-D267 PolarHBondContact NH2-O 2.84Å; R203-T268 VanDerWaalsContact CZ-OG1 3.3Å; R203-T268 PolarHBondContact NH1-OG1 3.16Å; R203-T268 PolarHBondContact NH2-OG1 3.38Å; R203-P269 HydrophobicContact CB-CG 3.71Å; R203-Y271 WeakPolarHBondContact CD-OH 3.03Å
204H98.5Very high97.5Very high5 Ų516 Ų162%0.0239%0.089CC..Hα-helixtrans-69-24.1178.361.8-64000112.8N194 G202 L207 Y208 L263N194-H204 PolarHBondContact ND2-NE2 3.43Å; G202-H204 VanDerWaalsContact C-N 3.25Å; G202-H204 PolarHBondContact O-N 3.39Å; H204-L207 PolarHBondContact O-N 3.16Å; H204-Y208 WeakPolarHBondContact O-CD2 3.47Å; H204-Y208 PolarHBondContact O-N 3.04Å; H204-L263 HydrophobicContact CB-CB 3.67Å; H204-L263 HydrophobicContact CB-CD1 3.79Å; H204-L263 HydrophobicContact CB-CG 4.4Å
205D98.5Very high97.6Very high2 Ų214.5 Ų14.51%0.0118%0.081CC..Hα-helixtrans-72.8-33.5179.5-64.3-61.2000112.5S192 N194 L201 G202 R203 L207 Y208 S209S192-D205 VanDerWaalsContact CB-OD1 3.23Å; S192-D205 WeakPolarHBondContact CB-OD1 3.35Å; S192-D205 VanDerWaalsContact OG-CG 3.31Å; S192-D205 PolarHBondContact OG-OD1 3.27Å; N194-D205 WeakPolarHBondContact CB-OD1 3.36Å; N194-D205 PolarHBondContact ND2-OD1 3.13Å; L201-D205 VanDerWaalsContact CA-OD2 3.27Å; L201-D205 WeakPolarHBondContact CA-OD2 3.46Å; L201-D205 HydrophobicContact CB-CB 4.19Å; L201-D205 HydrophobicContact CD2-CB 4.15Å; G202-D205 PolarHBondContact N-OD2 3.34Å; G202-D205 WeakPolarHBondContact O-CB 3.21Å; G202-D205 PolarHBondContact O-N 3.02Å; G202-D205 VanDerWaalsContact O-N 3.15Å; R203-D205 VanDerWaalsContact C-N 3.27Å; R203-D205 PolarHBondContact O-N 2.84Å; D205-L207 VanDerWaalsContact C-N 3.34Å; D205-Y208 PolarHBondContact O-N 3.37Å; D205-S209 PolarHBondContact O-N 3.34Å; D205-S209 PolarHBondContact O-OG 3.29Å
206D98.8Very high97.7Very high2 Ų214.2 Ų14.21%0.0118%0.079CC..Hα-helixtrans-64.6-40.3169.7-84.1-17000110.5T127 H131 H137 R138 I140 S209 T210T127-D206 HydrophobicContact CG2-CB 4.02Å; H131-D206 IonicContact CE1-OD2 3.37Å; H131-D206 IonicContact NE2-OD2 2.84Å; H131-D206 PolarHBondContact NE2-OD2 3.17Å; H137-D206 PolarHBondContact N-OD2 3.12Å; R138-D206 VanDerWaalsContact CA-OD1 3.32Å; R138-D206 WeakPolarHBondContact CA-OD1 3.37Å; R138-D206 PolarHBondContact N-OD1 3.37Å; I140-D206 HydrophobicContact CD1-CB 3.66Å; D206-S209 VanDerWaalsContact O-CB 3.31Å; D206-S209 WeakPolarHBondContact O-CB 3.48Å; D206-S209 PolarHBondContact O-N 3.48Å; D206-S209 VanDerWaalsContact O-N 3.14Å; D206-T210 PolarHBondContact O-N 3.38Å; D206-T210 PolarHBondContact O-OG1 2.88Å
207L98.8Very high97.8Very high0 Ų013 Ų130%07%0.073CC..Hα-helixtrans-70.2-32.1176.8-64.3175.4000113.7V124 T127 H204 D205 S209 T210 L211 W256 L260 P269 Y271 I274V124-L207 HydrophobicContact CG1-CD2 4.48Å; V124-L207 HydrophobicContact CG2-CD2 4.44Å; T127-L207 HydrophobicContact CG2-CD2 3.87Å; T127-L207 HydrophobicContact CG2-CG 4.43Å; H204-L207 PolarHBondContact O-N 3.16Å; D205-L207 VanDerWaalsContact C-N 3.34Å; L207-S209 VanDerWaalsContact C-N 3.25Å; L207-S209 PolarHBondContact O-N 3.17Å; L207-T210 PolarHBondContact O-N 3.49Å; L207-L211 PolarHBondContact O-N 3.28Å; L207-W256 HydrophobicContact CB-CZ2 4.42Å; L207-L260 HydrophobicContact CB-CD1 4.48Å; L207-L260 HydrophobicContact CB-CD2 3.71Å; L207-L260 HydrophobicContact CD1-CD2 4.26Å; L207-P269 HydrophobicContact CD1-CB 3.38Å; L207-P269 HydrophobicContact CD1-CG 3.74Å; L207-Y271 HydrophobicContact CD1-CD1 4.31Å; L207-Y271 HydrophobicContact CD1-CE1 4.07Å; L207-Y271 HydrophobicContact CD2-CD1 4.37Å; L207-Y271 HydrophobicContact CD2-CE1 4.37Å; L207-Y271 HydrophobicContact CG-CE1 4.5Å; L207-I274 HydrophobicContact CD1-CD1 3.84Å; L207-I274 HydrophobicContact CD2-CD1 4.39Å
208Y98.3Very high98Very high16 Ų1613.8 Ų13.86%0.0637%0.065CC..Hα-helixtrans-57.6-42.8167.9-97.3-69.1000111.4H204 D205 T210 L211 Y212 L260 C261H204-Y208 WeakPolarHBondContact O-CD2 3.47Å; H204-Y208 PolarHBondContact O-N 3.04Å; D205-Y208 PolarHBondContact O-N 3.37Å; Y208-T210 VanDerWaalsContact C-N 3.34Å; Y208-L211 PolarHBondContact O-N 2.93Å; Y208-Y212 HydrophobicContact CD1-CE1 4.5Å; Y208-Y212 HydrophobicContact CD1-CE2 4.37Å; Y208-Y212 AromaticContact CD1-CZ 3.96Å; Y208-Y212 WeakPolarHBondContact O-CD2 3.45Å; Y208-Y212 PolarHBondContact O-N 2.98Å; Y208-L260 HydrophobicContact CD1-CD1 4.06Å; Y208-L260 HydrophobicContact CD2-CB 4.26Å; Y208-L260 HydrophobicContact CD2-CD1 4.36Å; Y208-L260 HydrophobicContact CE1-CB 4.13Å; Y208-L260 HydrophobicContact CE1-CD1 4.31Å; Y208-L260 HydrophobicContact CE2-CB 3.76Å; Y208-L260 HydrophobicContact CG-CD1 4.08Å; Y208-C261 WeakPolarHBondContact OH-CA 3.47Å; Y208-C261 PolarHBondContact OH-N 2.91Å; Y208-C261 PolarHBondContact OH-SG 3.28Å
209S98.6Very high98.1Very high7 Ų714 Ų145%0.0496%0.062CC..Hα-helixtrans-64.5-40.7178.9-52.60000111Y190 D205 D206 L207 Y212 M213Y190-S209 WeakPolarHBondContact O-CA 3.45Å; Y190-S209 PolarHBondContact O-OG 2.81Å; Y190-S209 VanDerWaalsContact O-OG 3.11Å; D205-S209 PolarHBondContact O-N 3.34Å; D205-S209 PolarHBondContact O-OG 3.29Å; D206-S209 VanDerWaalsContact O-CB 3.31Å; D206-S209 WeakPolarHBondContact O-CB 3.48Å; D206-S209 PolarHBondContact O-N 3.48Å; D206-S209 VanDerWaalsContact O-N 3.14Å; L207-S209 VanDerWaalsContact C-N 3.25Å; L207-S209 PolarHBondContact O-N 3.17Å; S209-Y212 PolarHBondContact O-N 3.44Å; S209-M213 WeakPolarHBondContact O-CB 3.31Å; S209-M213 PolarHBondContact O-N 3.33Å
210T98.7Very high98.1Very high0 Ų09.2 Ų9.20%05%0.046CC..Hα-helixtrans-62.6-42.1173.5-51.40000112.3C123 V124 D206 L207 Y208 M213 A214 W256C123-T210 HydrophobicContact CB-CG2 3.68Å; V124-T210 HydrophobicContact CG2-CG2 4.28Å; D206-T210 PolarHBondContact O-N 3.38Å; D206-T210 PolarHBondContact O-OG1 2.88Å; L207-T210 PolarHBondContact O-N 3.49Å; Y208-T210 VanDerWaalsContact C-N 3.34Å; T210-M213 HydrophobicContact CG2-CE 4.31Å; T210-M213 WeakPolarHBondContact O-CB 3.45Å; T210-M213 PolarHBondContact O-N 3.32Å; T210-A214 PolarHBondContact O-N 3.17Å; T210-W256 HydrophobicContact CG2-CH2 3.91Å
211L98.6Very high98Very high0 Ų015.6 Ų15.60%07%0.069CC..Hα-helixtrans-60.9-47.4176174.862.7000111.5L207 Y208 M213 A214 V215 L246 F253 W256 H257 L260L207-L211 PolarHBondContact O-N 3.28Å; Y208-L211 PolarHBondContact O-N 2.93Å; L211-M213 VanDerWaalsContact C-N 3.32Å; L211-M213 PolarHBondContact O-N 3.24Å; L211-A214 WeakPolarHBondContact O-CB 3.42Å; L211-A214 PolarHBondContact O-N 2.91Å; L211-V215 WeakPolarHBondContact O-CG2 3.24Å; L211-V215 PolarHBondContact O-N 2.86Å; L211-L246 HydrophobicContact CD1-CD2 4.22Å; L211-F253 HydrophobicContact CD1-CB 4.37Å; L211-F253 HydrophobicContact CD1-CD1 3.71Å; L211-W256 HydrophobicContact CB-CE3 4.47Å; L211-W256 HydrophobicContact CB-CH2 4.1Å; L211-W256 HydrophobicContact CB-CZ2 4.29Å; L211-W256 HydrophobicContact CB-CZ3 4.19Å; L211-W256 HydrophobicContact CD1-CD2 4.32Å; L211-W256 HydrophobicContact CD1-CE3 3.77Å; L211-W256 HydrophobicContact CD1-CZ3 4Å; L211-H257 HydrophobicContact CD2-CB 3.87Å; L211-L260 HydrophobicContact CB-CD1 4.3Å; L211-L260 HydrophobicContact CD2-CD1 4Å
212Y98.5Very high98Very high3 Ų315 Ų151%0.0127%0.066CC..Hα-helixtrans-65-36.9177.3-62.3-32.7000112.4Y190 Y208 S209 V215 E216 L222 W224 K237 L245Y190-Y212 WeakPolarHBondContact O-CD2 3.44Å; Y208-Y212 HydrophobicContact CD1-CE1 4.5Å; Y208-Y212 HydrophobicContact CD1-CE2 4.37Å; Y208-Y212 AromaticContact CD1-CZ 3.96Å; Y208-Y212 WeakPolarHBondContact O-CD2 3.45Å; Y208-Y212 PolarHBondContact O-N 2.98Å; S209-Y212 PolarHBondContact O-N 3.44Å; Y212-V215 PolarHBondContact O-N 3.1Å; Y212-E216 PolarHBondContact O-N 2.92Å; Y212-L222 HydrophobicContact CD1-CD2 4.49Å; Y212-W224 AromaticContact CD1-CH2 3.85Å; Y212-W224 HydrophobicContact CD1-CH2 3.85Å; Y212-W224 AromaticContact CD1-CZ2 3.97Å; Y212-W224 HydrophobicContact CD1-CZ2 3.97Å; Y212-W224 HydrophobicContact CD2-CZ2 4.2Å; Y212-W224 AromaticContact CE1-CH2 3.67Å; Y212-W224 HydrophobicContact CE1-CH2 3.67Å; Y212-W224 HydrophobicContact CE1-CZ2 4.14Å; Y212-W224 HydrophobicContact CE2-CH2 4.48Å; Y212-W224 HydrophobicContact CE2-CZ2 4.34Å; Y212-W224 HydrophobicContact CG-CH2 4.36Å; Y212-W224 HydrophobicContact CG-CZ2 4.01Å; Y212-K237 HydrophobicContact CE2-CD 4.34Å; Y212-L245 HydrophobicContact CD1-CD2 4.31Å; Y212-L245 HydrophobicContact CE1-CD2 3.81Å
213M98.2Very high97.9Very high2 Ų216.9 Ų16.91%0.018%0.078CC..Hα-helixtrans-58.6-48.9171.5177.1166.172.200110.5L99 C123 P142 F145 S209 T210 L211 V215 E216 L217L99-M213 HydrophobicContact CD1-SD 4.4Å; C123-M213 HydrophobicContact CB-CE 4.1Å; C123-M213 WeakPolarHBondContact SG-CE 3.36Å; P142-M213 VanDerWaalsContact CA-SD 3.6Å; P142-M213 HydrophobicContact CB-CG 4.41Å; P142-M213 HydrophobicContact CB-SD 4.04Å; P142-M213 HydrophobicContact CG-CG 3.89Å; P142-M213 HydrophobicContact CG-SD 3.99Å; P142-M213 VanDerWaalsContact N-SD 3.45Å; F145-M213 HydrophobicContact CD2-CE 4.04Å; F145-M213 HydrophobicContact CD2-SD 4.18Å; F145-M213 HydrophobicContact CE2-CE 4.06Å; S209-M213 WeakPolarHBondContact O-CB 3.31Å; S209-M213 PolarHBondContact O-N 3.33Å; T210-M213 HydrophobicContact CG2-CE 4.31Å; T210-M213 WeakPolarHBondContact O-CB 3.45Å; T210-M213 PolarHBondContact O-N 3.32Å; L211-M213 VanDerWaalsContact C-N 3.32Å; L211-M213 PolarHBondContact O-N 3.24Å; M213-V215 VanDerWaalsContact C-N 3.31Å; M213-V215 PolarHBondContact O-N 3.44Å; M213-E216 PolarHBondContact O-N 2.73Å; M213-E216 VanDerWaalsContact O-N 3.12Å; M213-L217 HydrophobicContact CG-CD1 3.93Å; M213-L217 HydrophobicContact CG-CG 4.02Å; M213-L217 WeakPolarHBondContact O-CB 3.47Å; M213-L217 VanDerWaalsContact O-CG 3.24Å; M213-L217 WeakPolarHBondContact O-CG 3.25Å; M213-L217 PolarHBondContact O-N 3.36Å
214A98.6Very high97.8Very high0 Ų016.1 Ų16.10%08%0.075CC..Hα-helixtrans-57-42.7178.100000113T116 V120 T210 L211 L217 R218 M249 F253T116-A214 HydrophobicContact CG2-CB 4.28Å; V120-A214 HydrophobicContact CG2-CB 3.47Å; V120-A214 VanDerWaalsContact CG2-CB 3.47Å; T210-A214 PolarHBondContact O-N 3.17Å; L211-A214 WeakPolarHBondContact O-CB 3.42Å; L211-A214 PolarHBondContact O-N 2.91Å; A214-L217 PolarHBondContact O-N 3.13Å; A214-R218 WeakPolarHBondContact O-CB 3.34Å; A214-R218 PolarHBondContact O-N 3.46Å; A214-M249 HydrophobicContact CB-CE 4.27Å; A214-F253 HydrophobicContact CB-CD1 4.36Å; A214-F253 HydrophobicContact CB-CE1 3.6Å; A214-F253 HydrophobicContact CB-CZ 4.4Å
215V98.4Very high97.6Very high1 Ų120.9 Ų20.91%0.0069%0.094CC..Hα-helixtrans-62.3-46175.8176.30000111L211 Y212 M213 R218 N219 L222 L245 L246 M249L211-V215 WeakPolarHBondContact O-CG2 3.24Å; L211-V215 PolarHBondContact O-N 2.86Å; Y212-V215 PolarHBondContact O-N 3.1Å; M213-V215 VanDerWaalsContact C-N 3.31Å; M213-V215 PolarHBondContact O-N 3.44Å; V215-R218 PolarHBondContact O-N 2.85Å; V215-N219 VanDerWaalsContact O-CB 3.25Å; V215-N219 WeakPolarHBondContact O-CB 3.42Å; V215-N219 PolarHBondContact O-N 3.24Å; V215-L222 HydrophobicContact CB-CD2 3.94Å; V215-L222 HydrophobicContact CG1-CD2 3.82Å; V215-L245 HydrophobicContact CG1-CD1 4.38Å; V215-L246 HydrophobicContact CG2-CD2 3.61Å; V215-M249 HydrophobicContact CG2-CE 4.31Å; V215-M249 HydrophobicContact CG2-CG 4.04Å; V215-M249 HydrophobicContact CG2-SD 4.26Å
216E97.9Very high97.3Very high1 Ų125.7 Ų25.71%0.00512%0.119CC..Hα-helixtrans-65.7-43.4178.3-157-166.7-123.400111.7R103 R189 Y190 Y212 M213 R218 G220 L222R103-E216 IonicContact CZ-OE2 3.85Å; R103-E216 IonicContact NE-OE2 2.73Å; R103-E216 PolarHBondContact NE-OE2 2.87Å; R103-E216 VanDerWaalsContact NH2-CD 3.34Å; R103-E216 IonicContact NH2-OE1 2.65Å; R103-E216 IonicContact NH2-OE2 3.75Å; R103-E216 PolarHBondContact NH2-OE2 2.8Å; R189-E216 WeakPolarHBondContact CD-OE1 3.36Å; R189-E216 IonicContact CZ-OE1 2.72Å; R189-E216 IonicContact NE-OE1 3.6Å; R189-E216 IonicContact NH1-OE1 3.53Å; R189-E216 PolarHBondContact NH1-OE1 3.49Å; Y190-E216 PolarHBondContact OH-OE2 2.86Å; Y212-E216 PolarHBondContact O-N 2.92Å; M213-E216 PolarHBondContact O-N 2.73Å; M213-E216 VanDerWaalsContact O-N 3.12Å; E216-R218 VanDerWaalsContact C-N 3.3Å; E216-R218 PolarHBondContact O-N 2.88Å; E216-G220 CarbonylContact O-C 3.55Å; E216-G220 WeakPolarHBondContact O-CA 3.43Å; E216-G220 PolarHBondContact O-N 3Å; E216-L222 HydrophobicContact CB-CD1 4.28Å; E216-L222 HydrophobicContact CB-CG 4.05Å; E216-L222 HydrophobicContact CG-CG 4.37Å
217L98Very high97Very high1 Ų127.7 Ų27.71%0.00513%0.129CC..Hα-helixtrans-58.1-43.3178.3-70.6-175.1000111.2L99 R103 F111 T116 L119 P142 M213 A214L99-L217 HydrophobicContact CD1-CD1 4.3Å; R103-L217 HydrophobicContact CB-CD2 4.38Å; R103-L217 HydrophobicContact CG-CD2 4.46Å; F111-L217 HydrophobicContact CD2-CB 3.98Å; F111-L217 HydrophobicContact CD2-CD1 4.33Å; F111-L217 HydrophobicContact CD2-CD2 3.88Å; F111-L217 HydrophobicContact CD2-CG 4.25Å; F111-L217 HydrophobicContact CE2-CD1 4.49Å; F111-L217 HydrophobicContact CE2-CD2 3.66Å; F111-L217 HydrophobicContact CE2-CG 4.45Å; F111-L217 PolarHBondContact N-O 3.4Å; T116-L217 HydrophobicContact CG2-CB 4.28Å; L119-L217 HydrophobicContact CD1-CD1 4.01Å; P142-L217 HydrophobicContact CB-CD2 4.41Å; M213-L217 HydrophobicContact CG-CD1 3.93Å; M213-L217 HydrophobicContact CG-CG 4.02Å; M213-L217 WeakPolarHBondContact O-CB 3.47Å; M213-L217 VanDerWaalsContact O-CG 3.24Å; M213-L217 WeakPolarHBondContact O-CG 3.25Å; M213-L217 PolarHBondContact O-N 3.36Å; A214-L217 PolarHBondContact O-N 3.13Å
218R97.6Very high96.4Very high67 Ų6734.4 Ų34.425%0.25317%0.165SC..Hα-helixtrans-78.9-44.9-179.1-178.163.4-168.7103.78.8113.7K110 F111 T113 T116 A214 V215 E216 M249K110-R218 WeakPolarHBondContact CB-O 3.32Å; F111-R218 WeakPolarHBondContact O-CD 3.17Å; F111-R218 PolarHBondContact O-NH1 3.4Å; T113-R218 PolarHBondContact OG1-NE 3.23Å; T116-R218 HydrophobicContact CG2-CB 4.17Å; A214-R218 WeakPolarHBondContact O-CB 3.34Å; A214-R218 PolarHBondContact O-N 3.46Å; V215-R218 PolarHBondContact O-N 2.85Å; E216-R218 VanDerWaalsContact C-N 3.3Å; E216-R218 PolarHBondContact O-N 2.88Å; R218-M249 HydrophobicContact CB-CE 4.27Å; R218-M249 HydrophobicContact CB-SD 3.76Å; R218-M249 HydrophobicContact CG-SD 3.87Å
219N96.5Very high96.2Very high23 Ų2337 Ų3712%0.12318%0.18CC..Hα-helixtrans-94.9-10.9-169.9-63.6-12.5000112.8K110 V215 R221K110-N219 WeakPolarHBondContact CE-O 3.4Å; K110-N219 PolarHBondContact NZ-O 2.95Å; V215-N219 VanDerWaalsContact O-CB 3.25Å; V215-N219 WeakPolarHBondContact O-CB 3.42Å; V215-N219 PolarHBondContact O-N 3.24Å; N219-R221 PolarHBondContact O-N 3.07Å
220G96Very high95.9Very high15 Ų1540 Ų4016%0.15519%0.193CC..SBendtrans81.5-14.5-177.900000114.1R103 Q109 E216R103-G220 PolarHBondContact NH1-O 2.83Å; Q109-G220 WeakPolarHBondContact O-CA 3.35Å; E216-G220 CarbonylContact O-C 3.55Å; E216-G220 WeakPolarHBondContact O-CA 3.43Å; E216-G220 PolarHBondContact O-N 3Å
221R95.5Very high95.8Very high147 Ų14744.6 Ų44.656%0.55521%0.214SC*.SBendtrans-154.5153.3179.662-177.7-179.4-179.3-0.8111.9N219 Y225N219-R221 PolarHBondContact O-N 3.07Å; R221-Y225 HydrophobicContact CB-CD1 4.13Å; R221-Y225 HydrophobicContact CB-CG 4.05Å; R221-Y225 HydrophobicContact CG-CD1 4.43Å
222L96.8Very high95.7Very high1 Ų149.4 Ų49.41%0.00524%0.237CC..  trans-91.3157.7164.3-75.7161.6000110.5R189 Y190 Y212 V215 E216 W224 Y225 L245R189-L222 HydrophobicContact CG-CD1 3.75Å; Y190-L222 HydrophobicContact CD1-CD1 4.24Å; Y190-L222 HydrophobicContact CE1-CD1 4.19Å; Y212-L222 HydrophobicContact CD1-CD2 4.49Å; V215-L222 HydrophobicContact CB-CD2 3.94Å; V215-L222 HydrophobicContact CG1-CD2 3.82Å; E216-L222 HydrophobicContact CB-CD1 4.28Å; E216-L222 HydrophobicContact CB-CG 4.05Å; E216-L222 HydrophobicContact CG-CG 4.37Å; L222-W224 HydrophobicContact CB-CD2 4.36Å; L222-W224 HydrophobicContact CB-CZ2 4.23Å; L222-W224 HydrophobicContact CD1-CZ2 4.02Å; L222-W224 HydrophobicContact CD2-CH2 4.27Å; L222-W224 HydrophobicContact CD2-CZ2 3.84Å; L222-W224 HydrophobicContact CG-CZ2 4.25Å; L222-W224 PolarHBondContact O-N 3.28Å; L222-W224 VanDerWaalsContact O-N 3.13Å; L222-Y225 VanDerWaalsContact O-CB 3.31Å; L222-Y225 WeakPolarHBondContact O-CB 3.17Å; L222-Y225 VanDerWaalsContact O-CD1 3.32Å; L222-Y225 WeakPolarHBondContact O-CD1 3.35Å; L222-Y225 PolarHBondContact O-N 3.03Å; L222-L245 HydrophobicContact CD2-CD1 4.27Å
223P96.8Very high95.6Very high43 Ų4349.3 Ų49.328%0.27924%0.236SC..THydrogen-bonded Turntrans-56.2-30.2179.1-29.638.7000114.6M236 I240 L245P223-M236 HydrophobicContact CB-SD 4.35Å; P223-I240 HydrophobicContact CB-CD1 3.4Å; P223-I240 HydrophobicContact CG-CD1 3.43Å; P223-I240 VanDerWaalsContact CG-CD1 3.43Å; P223-L245 HydrophobicContact CG-CD1 3.93Å
224W96.6Very high95.5Very high2 Ų249.4 Ų49.41%0.00824%0.238CC..THydrogen-bonded Turntrans-97.220.4178.25181.2000113.9R189 Y212 L222 N226 L227 V233 M236 K237 I240 L245R189-W224 PolarHBondContact O-NE1 3.03Å; Y212-W224 AromaticContact CD1-CH2 3.85Å; Y212-W224 HydrophobicContact CD1-CH2 3.85Å; Y212-W224 AromaticContact CD1-CZ2 3.97Å; Y212-W224 HydrophobicContact CD1-CZ2 3.97Å; Y212-W224 HydrophobicContact CD2-CZ2 4.2Å; Y212-W224 AromaticContact CE1-CH2 3.67Å; Y212-W224 HydrophobicContact CE1-CH2 3.67Å; Y212-W224 HydrophobicContact CE1-CZ2 4.14Å; Y212-W224 HydrophobicContact CE2-CH2 4.48Å; Y212-W224 HydrophobicContact CE2-CZ2 4.34Å; Y212-W224 HydrophobicContact CG-CH2 4.36Å; Y212-W224 HydrophobicContact CG-CZ2 4.01Å; L222-W224 HydrophobicContact CB-CD2 4.36Å; L222-W224 HydrophobicContact CB-CZ2 4.23Å; L222-W224 HydrophobicContact CD1-CZ2 4.02Å; L222-W224 HydrophobicContact CD2-CH2 4.27Å; L222-W224 HydrophobicContact CD2-CZ2 3.84Å; L222-W224 HydrophobicContact CG-CZ2 4.25Å; L222-W224 PolarHBondContact O-N 3.28Å; L222-W224 VanDerWaalsContact O-N 3.13Å; W224-N226 PolarHBondContact O-N 3.48Å; W224-N226 VanDerWaalsContact O-N 3.15Å; W224-L227 HydrophobicContact CB-CB 4.43Å; W224-L227 HydrophobicContact CB-CD1 3.99Å; W224-L227 HydrophobicContact CB-CG 4.42Å; W224-L227 PolarHBondContact O-N 2.79Å; W224-L227 VanDerWaalsContact O-N 3.08Å; W224-V233 HydrophobicContact CB-CG1 4.34Å; W224-V233 HydrophobicContact CB-CG2 4.32Å; W224-V233 HydrophobicContact CD2-CG1 4.5Å; W224-V233 HydrophobicContact CG-CG1 3.94Å; W224-M236 HydrophobicContact CB-SD 3.71Å; W224-M236 HydrophobicContact CE3-CG 4.25Å; W224-M236 HydrophobicContact CE3-SD 4.25Å; W224-K237 HydrophobicContact CD2-CG 4.13Å; W224-K237 HydrophobicContact CE3-CG 3.88Å; W224-K237 HydrophobicContact CH2-CD 4.42Å; W224-K237 HydrophobicContact CH2-CG 3.74Å; W224-K237 HydrophobicContact CZ2-CD 4.22Å; W224-K237 HydrophobicContact CZ2-CG 3.98Å; W224-K237 HydrophobicContact CZ3-CG 3.68Å; W224-I240 HydrophobicContact CZ3-CG2 4.31Å; W224-L245 HydrophobicContact CH2-CD1 3.87Å; W224-L245 HydrophobicContact CZ3-CD1 4.09Å
225Y93.1Very high95.5Very high106 Ų10656.4 Ų56.442%0.41627%0.268SS..THydrogen-bonded Turntrans-60.1-27.5-172.978.5-79.9000114.7R221 L222R221-Y225 HydrophobicContact CB-CD1 4.13Å; R221-Y225 HydrophobicContact CB-CG 4.05Å; R221-Y225 HydrophobicContact CG-CD1 4.43Å; L222-Y225 VanDerWaalsContact O-CB 3.31Å; L222-Y225 WeakPolarHBondContact O-CB 3.17Å; L222-Y225 VanDerWaalsContact O-CD1 3.32Å; L222-Y225 WeakPolarHBondContact O-CD1 3.35Å; L222-Y225 PolarHBondContact O-N 3.03Å
226N92Very high95.4Very high103 Ų10359.4 Ų59.455%0.55128%0.283SS*.THydrogen-bonded Turntrans-95.74.6-17963.7-25.5000113.1W224W224-N226 PolarHBondContact O-N 3.48Å; W224-N226 VanDerWaalsContact O-N 3.15Å
227L93.3Very high95.4Very high43 Ų4359.9 Ų59.923%0.22529%0.285CS..  trans-101.4128.3177.7-58.2-179.1000110W224 E232 V233 M236W224-L227 HydrophobicContact CB-CB 4.43Å; W224-L227 HydrophobicContact CB-CD1 3.99Å; W224-L227 HydrophobicContact CB-CG 4.42Å; W224-L227 PolarHBondContact O-N 2.79Å; W224-L227 VanDerWaalsContact O-N 3.08Å; L227-E232 HydrophobicContact CD1-CB 4.44Å; L227-V233 HydrophobicContact CB-CG2 3.6Å; L227-M236 HydrophobicContact CD1-CE 3.8Å; L227-M236 HydrophobicContact CD1-SD 4.04Å
228N86.8Confident95.2Very high141 Ų14165.1 Ų65.175%0.75431%0.311SS*.  trans-108.5-17.9176.8-63.5-29.9000112.6K230N228-K230 PolarHBondContact O-N 2.97Å
229N93.5Very high95.1Very high71 Ų7167.1 Ų67.138%0.3833%0.331SS..  trans-74.5126.5178.8179.6-79.5000110.7E231 E232 V233N229-E231 PolarHBondContact O-N 2.75Å; N229-E231 WeakPolarHBondContact OD1-CA 3.48Å; N229-E231 WeakPolarHBondContact OD1-CB 3.43Å; N229-E231 PolarHBondContact OD1-N 3.15Å; N229-E231 PolarHBondContact OD1-OE2 3.18Å; N229-E232 HydrophobicContact CB-CB 4.06Å; N229-E232 HydrophobicContact CB-CG 3.95Å; N229-E232 PolarHBondContact O-N 3.43Å; N229-E232 PolarHBondContact OD1-N 3.25Å; N229-V233 VanDerWaalsContact O-CG2 3.31Å; N229-V233 WeakPolarHBondContact O-CG2 3.4Å; N229-V233 PolarHBondContact O-N 3.18Å
230K93.4Very high95.1Very high71 Ų7167.3 Ų67.331%0.30933%0.331SS..Hα-helixtrans-59.8-47-176.5-172.8-168.673.9-126.80111.6F184 I188 H196 N228 V233 G234F184-K230 HydrophobicContact CB-CD 4.17Å; F184-K230 HydrophobicContact CD1-CD 4.29Å; F184-K230 HydrophobicContact CD2-CD 4.12Å; F184-K230 HydrophobicContact CD2-CG 4.48Å; F184-K230 HydrophobicContact CG-CD 3.93Å; I188-K230 HydrophobicContact CD1-CB 3.96Å; I188-K230 HydrophobicContact CD1-CG 4.32Å; I188-K230 HydrophobicContact CG1-CB 4.44Å; I188-K230 HydrophobicContact CG1-CG 4.29Å; H196-K230 PolarHBondContact CE1-O 3.41Å; H196-K230 VanDerWaalsContact CE1-O 3.29Å; H196-K230 PolarHBondContact ND1-O 2.73Å; H196-K230 VanDerWaalsContact ND1-O 3.13Å; N228-K230 PolarHBondContact O-N 2.97Å; K230-V233 PolarHBondContact O-N 3.15Å; K230-G234 PolarHBondContact O-N 2.87Å
231E95Very high95Very high96 Ų9669.8 Ų69.845%0.44935%0.345SS..Hα-helixtrans-65.8-39.9-178.6-68.469.9-156.100112.2N229 G234 K235N229-E231 PolarHBondContact O-N 2.75Å; N229-E231 WeakPolarHBondContact OD1-CA 3.48Å; N229-E231 WeakPolarHBondContact OD1-CB 3.43Å; N229-E231 PolarHBondContact OD1-N 3.15Å; N229-E231 PolarHBondContact OD1-OE2 3.18Å; E231-G234 PolarHBondContact O-N 3.38Å; E231-K235 WeakPolarHBondContact O-CB 3.2Å; E231-K235 VanDerWaalsContact O-CG 3.31Å; E231-K235 WeakPolarHBondContact O-CG 3.37Å; E231-K235 PolarHBondContact O-N 3.31Å
232E96.8Very high94.9Very high101 Ų10166.3 Ų66.347%0.47234%0.335SS..Hα-helixtrans-65-46.4176.1-69.8-179.9167.300112L227 N229 G234 K235 M236L227-E232 HydrophobicContact CD1-CB 4.44Å; N229-E232 HydrophobicContact CB-CB 4.06Å; N229-E232 HydrophobicContact CB-CG 3.95Å; N229-E232 PolarHBondContact O-N 3.43Å; N229-E232 PolarHBondContact OD1-N 3.25Å; E232-G234 VanDerWaalsContact C-N 3.31Å; E232-G234 PolarHBondContact O-N 3.22Å; E232-K235 PolarHBondContact O-N 3.35Å; E232-M236 PolarHBondContact O-N 3.45Å
233V97.1Very high94.6Very high1 Ų170.3 Ų70.31%0.00636%0.363CS..Hα-helixtrans-61.1-43.6175.8174.40000110.4I188 W224 L227 N229 K230 M236 K237I188-V233 HydrophobicContact CG2-CB 3.85Å; I188-V233 HydrophobicContact CG2-CG1 3.85Å; I188-V233 HydrophobicContact CG2-CG2 3.79Å; W224-V233 HydrophobicContact CB-CG1 4.34Å; W224-V233 HydrophobicContact CB-CG2 4.32Å; W224-V233 HydrophobicContact CD2-CG1 4.5Å; W224-V233 HydrophobicContact CG-CG1 3.94Å; L227-V233 HydrophobicContact CB-CG2 3.6Å; N229-V233 VanDerWaalsContact O-CG2 3.31Å; N229-V233 WeakPolarHBondContact O-CG2 3.4Å; N229-V233 PolarHBondContact O-N 3.18Å; K230-V233 PolarHBondContact O-N 3.15Å; V233-M236 PolarHBondContact O-N 3.41Å; V233-K237 HydrophobicContact CG1-CD 4.04Å; V233-K237 WeakPolarHBondContact O-CB 3.46Å; V233-K237 WeakPolarHBondContact O-CG 3.38Å; V233-K237 PolarHBondContact O-N 2.77Å
234G96.8Very high94.5Very high4 Ų474 Ų744%0.04138%0.376CS..Hα-helixtrans-60.6-46.4177.100000112.8H196 K230 E231 E232 K237 M238H196-G234 VanDerWaalsContact CG-CA 3.45Å; H196-G234 WeakPolarHBondContact ND1-CA 3.47Å; K230-G234 PolarHBondContact O-N 2.87Å; E231-G234 PolarHBondContact O-N 3.38Å; E232-G234 VanDerWaalsContact C-N 3.31Å; E232-G234 PolarHBondContact O-N 3.22Å; G234-K237 PolarHBondContact O-N 3.17Å; G234-M238 WeakPolarHBondContact O-CG 3.42Å; G234-M238 PolarHBondContact O-N 3.34Å
235K97Very high94.5Very high146 Ų14674 Ų7464%0.63538%0.377SS*.Hα-helixtrans-60.3-49.4175.3-75.1173.3-177.1177.70111.2E231 E232 K237 M238 T239E231-K235 WeakPolarHBondContact O-CB 3.2Å; E231-K235 VanDerWaalsContact O-CG 3.31Å; E231-K235 WeakPolarHBondContact O-CG 3.37Å; E231-K235 PolarHBondContact O-N 3.31Å; E232-K235 PolarHBondContact O-N 3.35Å; K235-K237 VanDerWaalsContact C-N 3.29Å; K235-K237 PolarHBondContact O-N 2.87Å; K235-M238 PolarHBondContact O-N 3.05Å; K235-T239 PolarHBondContact O-N 3.49Å; K235-T239 VanDerWaalsContact O-N 3.07Å; K235-T239 PolarHBondContact O-OG1 3.2Å; K235-T239 VanDerWaalsContact O-OG1 3.1Å
236M97.5Very high94.6Very high64 Ų6469.5 Ų69.532%0.31536%0.36SS..Hα-helixtrans-58.6-41.9179-176.2174.8-78.600111.6P223 W224 L227 E232 V233 M238 T239 I240P223-M236 HydrophobicContact CB-SD 4.35Å; W224-M236 HydrophobicContact CB-SD 3.71Å; W224-M236 HydrophobicContact CE3-CG 4.25Å; W224-M236 HydrophobicContact CE3-SD 4.25Å; L227-M236 HydrophobicContact CD1-CE 3.8Å; L227-M236 HydrophobicContact CD1-SD 4.04Å; E232-M236 PolarHBondContact O-N 3.45Å; V233-M236 PolarHBondContact O-N 3.41Å; M236-M238 VanDerWaalsContact C-N 3.27Å; M236-M238 PolarHBondContact O-N 2.93Å; M236-T239 PolarHBondContact O-N 3.4Å; M236-I240 WeakPolarHBondContact O-CB 3.29Å; M236-I240 VanDerWaalsContact O-CG2 3.25Å; M236-I240 WeakPolarHBondContact O-CG2 3.45Å; M236-I240 PolarHBondContact O-N 2.98Å
237K96.8Very high94.7Very high12 Ų1272.2 Ų72.25%0.05237%0.367CS..Hα-helixtrans-61.9-31.2176.6-78.1174.7173.1-178.40113.8I188 R189 A191 P193 Y212 W224 V233 G234 K235I188-K237 PolarHBondContact O-NZ 2.63Å; R189-K237 PolarHBondContact O-NZ 3.44Å; A191-K237 PolarHBondContact O-NZ 3.46Å; P193-K237 HydrophobicContact CG-CB 4.41Å; Y212-K237 HydrophobicContact CE2-CD 4.34Å; W224-K237 HydrophobicContact CD2-CG 4.13Å; W224-K237 HydrophobicContact CE3-CG 3.88Å; W224-K237 HydrophobicContact CH2-CD 4.42Å; W224-K237 HydrophobicContact CH2-CG 3.74Å; W224-K237 HydrophobicContact CZ2-CD 4.22Å; W224-K237 HydrophobicContact CZ2-CG 3.98Å; W224-K237 HydrophobicContact CZ3-CG 3.68Å; V233-K237 HydrophobicContact CG1-CD 4.04Å; V233-K237 WeakPolarHBondContact O-CB 3.46Å; V233-K237 WeakPolarHBondContact O-CG 3.38Å; V233-K237 PolarHBondContact O-N 2.77Å; G234-K237 PolarHBondContact O-N 3.17Å; K235-K237 VanDerWaalsContact C-N 3.29Å; K235-K237 PolarHBondContact O-N 2.87Å
238M94.4Very high94.7Very high111 Ų11175.1 Ų75.155%0.54738%0.382SS..Hα-helixtrans-81.7-27.2178.1-67.2177-168.900112.9P193 H196 A197 G234 K235 M236P193-M238 HydrophobicContact CB-CG 4.25Å; P193-M238 WeakPolarHBondContact O-CE 3.17Å; H196-M238 HydrophobicContact CB-CE 4.47Å; A197-M238 HydrophobicContact CB-CE 3.96Å; G234-M238 WeakPolarHBondContact O-CG 3.42Å; G234-M238 PolarHBondContact O-N 3.34Å; K235-M238 PolarHBondContact O-N 3.05Å; M236-M238 VanDerWaalsContact C-N 3.27Å; M236-M238 PolarHBondContact O-N 2.93Å
239T95.5Very high95.2Very high109 Ų10969.2 Ų69.267%0.66935%0.35SS*.Hα-helixtrans-106.8-18.7-172.960.70000114.4K235 M236 P241K235-T239 PolarHBondContact O-N 3.49Å; K235-T239 VanDerWaalsContact O-N 3.07Å; K235-T239 PolarHBondContact O-OG1 3.2Å; K235-T239 VanDerWaalsContact O-OG1 3.1Å; M236-T239 PolarHBondContact O-N 3.4Å; T239-P241 WeakPolarHBondContact O-CD 3.39Å
240I95.9Very high95.4Very high26 Ų2667 Ų6713%0.13334%0.34CS..SBendtrans-62.6128.1-177-170.6167.8000110.6P223 W224 M236 Q242 Q244 L245P223-I240 HydrophobicContact CB-CD1 3.4Å; P223-I240 HydrophobicContact CG-CD1 3.43Å; P223-I240 VanDerWaalsContact CG-CD1 3.43Å; W224-I240 HydrophobicContact CZ3-CG2 4.31Å; M236-I240 WeakPolarHBondContact O-CB 3.29Å; M236-I240 VanDerWaalsContact O-CG2 3.25Å; M236-I240 WeakPolarHBondContact O-CG2 3.45Å; M236-I240 PolarHBondContact O-N 2.98Å; I240-Q242 PolarHBondContact O-N 3.44Å; I240-Q244 HydrophobicContact CD1-CG 4.39Å; I240-Q244 HydrophobicContact CG1-CB 4.25Å; I240-Q244 HydrophobicContact CG1-CG 4.45Å; I240-L245 HydrophobicContact CD1-CB 4.27Å
241P94.7Very high95.5Very high68 Ų6867.5 Ų67.544%0.44235%0.352SS..  trans-61.4133.8172.5-23.734.5000110.7T239 S243 Q244 L245T239-P241 WeakPolarHBondContact O-CD 3.39Å; P241-S243 PolarHBondContact O-N 3.27Å; P241-Q244 HydrophobicContact CB-CB 4.41Å; P241-Q244 WeakPolarHBondContact O-CA 3.25Å; P241-Q244 WeakPolarHBondContact O-CB 3.47Å; P241-Q244 PolarHBondContact O-N 3.43Å; P241-L245 PolarHBondContact O-N 3.06Å; P241-L245 VanDerWaalsContact O-N 3.09Å
242Q92.7Very high95.6Very high73 Ų7364.5 Ų64.534%0.34134%0.338SS..Hα-helixtrans-58.5-30.5176.861.3-170.221.800113I240 Q244 L245 L246 L254 H257 N258I240-Q242 PolarHBondContact O-N 3.44Å; Q242-Q244 PolarHBondContact O-N 2.9Å; Q242-L245 PolarHBondContact O-N 2.94Å; Q242-L246 WeakPolarHBondContact O-CB 3.39Å; Q242-L246 PolarHBondContact O-N 3.1Å; Q242-L254 HydrophobicContact CB-CD1 3.89Å; Q242-L254 HydrophobicContact CG-CD1 3.63Å; Q242-H257 PolarHBondContact OE1-CE1 3.35Å; Q242-H257 PolarHBondContact OE1-ND1 2.72Å; Q242-H257 VanDerWaalsContact OE1-ND1 3.16Å; Q242-N258 PolarHBondContact NE2-OD1 2.7Å; Q242-N258 PolarHBondContact OE1-OD1 2.76Å
243S90.4Very high95.7Very high85 Ų8559.8 Ų59.859%0.59432%0.316SS*.Hα-helixtrans-63.5-25.7172.8550000113.4P241 K247P241-S243 PolarHBondContact O-N 3.27Å; S243-K247 WeakPolarHBondContact O-CA 3.31Å; S243-K247 VanDerWaalsContact O-CB 3.29Å; S243-K247 WeakPolarHBondContact O-CB 3.29Å; S243-K247 PolarHBondContact O-N 2.84Å
244Q94.7Very high95.7Very high120 Ų12062.6 Ų62.656%0.56133%0.331SS*.Hα-helixtrans-86.6-43.2174.8-175179.9-2.300111.4I240 P241 Q242 L246I240-Q244 HydrophobicContact CD1-CG 4.39Å; I240-Q244 HydrophobicContact CG1-CB 4.25Å; I240-Q244 HydrophobicContact CG1-CG 4.45Å; P241-Q244 HydrophobicContact CB-CB 4.41Å; P241-Q244 WeakPolarHBondContact O-CA 3.25Å; P241-Q244 WeakPolarHBondContact O-CB 3.47Å; P241-Q244 PolarHBondContact O-N 3.43Å; Q242-Q244 PolarHBondContact O-N 2.9Å; Q244-L246 VanDerWaalsContact C-N 3.31Å; Q244-L246 PolarHBondContact O-N 3.37Å
245L96.4Very high95.7Very high4 Ų466 Ų662%0.02135%0.345CS..Hα-helixtrans-61.7-40.2178.5175.663.2000112Y212 V215 L222 P223 W224 I240 P241 Q242Y212-L245 HydrophobicContact CD1-CD2 4.31Å; Y212-L245 HydrophobicContact CE1-CD2 3.81Å; V215-L245 HydrophobicContact CG1-CD1 4.38Å; L222-L245 HydrophobicContact CD2-CD1 4.27Å; P223-L245 HydrophobicContact CG-CD1 3.93Å; W224-L245 HydrophobicContact CH2-CD1 3.87Å; W224-L245 HydrophobicContact CZ3-CD1 4.09Å; I240-L245 HydrophobicContact CD1-CB 4.27Å; P241-L245 PolarHBondContact O-N 3.06Å; P241-L245 VanDerWaalsContact O-N 3.09Å; Q242-L245 PolarHBondContact O-N 2.94Å
246L97.1Very high95.8Very high11 Ų1159.1 Ų59.16%0.05832%0.315CS..THydrogen-bonded Turntrans-110.214.8-171-57.7174.5000113.3L211 V215 Q242 Q244 D248 M249 F253 L254 H257L211-L246 HydrophobicContact CD1-CD2 4.22Å; V215-L246 HydrophobicContact CG2-CD2 3.61Å; Q242-L246 WeakPolarHBondContact O-CB 3.39Å; Q242-L246 PolarHBondContact O-N 3.1Å; Q244-L246 VanDerWaalsContact C-N 3.31Å; Q244-L246 PolarHBondContact O-N 3.37Å; L246-D248 VanDerWaalsContact C-N 3.27Å; L246-D248 PolarHBondContact O-N 2.98Å; L246-M249 HydrophobicContact CB-CB 4.35Å; L246-M249 HydrophobicContact CB-CG 4.49Å; L246-M249 HydrophobicContact CD2-CB 4.47Å; L246-M249 HydrophobicContact CD2-CG 4.06Å; L246-M249 WeakPolarHBondContact O-CB 3.3Å; L246-M249 PolarHBondContact O-N 2.95Å; L246-F253 HydrophobicContact CD2-CB 4.37Å; L246-L254 HydrophobicContact CD1-CB 4.13Å; L246-L254 HydrophobicContact CD1-CD1 3.98Å; L246-H257 HydrophobicContact CD1-CB 3.67Å
247K92.5Very high95.8Very high160 Ų16057.1 Ų57.170%0.69631%0.305SS*.THydrogen-bonded Turntrans-50.6-44.6-174.3-172.4-175.8172.4-175.40113.8S243S243-K247 WeakPolarHBondContact O-CA 3.31Å; S243-K247 VanDerWaalsContact O-CB 3.29Å; S243-K247 WeakPolarHBondContact O-CB 3.29Å; S243-K247 PolarHBondContact O-N 2.84Å
248D94.3Very high95.8Very high104 Ų10459.1 Ų59.156%0.55632%0.317SS*.THydrogen-bonded Turntrans-99.510.2-175.2-56-39.9000112.5L246L246-D248 VanDerWaalsContact C-N 3.27Å; L246-D248 PolarHBondContact O-N 2.98Å
249M97.7Very high95.9Very high17 Ų1756.1 Ų56.18%0.08431%0.305CS..SBendtrans-96.3150.5177.2-60.2-61.3-72.400110.7A214 V215 R218 L246 F253A214-M249 HydrophobicContact CB-CE 4.27Å; V215-M249 HydrophobicContact CG2-CE 4.31Å; V215-M249 HydrophobicContact CG2-CG 4.04Å; V215-M249 HydrophobicContact CG2-SD 4.26Å; R218-M249 HydrophobicContact CB-CE 4.27Å; R218-M249 HydrophobicContact CB-SD 3.76Å; R218-M249 HydrophobicContact CG-SD 3.87Å; L246-M249 HydrophobicContact CB-CB 4.35Å; L246-M249 HydrophobicContact CB-CG 4.49Å; L246-M249 HydrophobicContact CD2-CB 4.47Å; L246-M249 HydrophobicContact CD2-CG 4.06Å; L246-M249 WeakPolarHBondContact O-CB 3.3Å; L246-M249 PolarHBondContact O-N 2.95Å; M249-F253 HydrophobicContact CB-CB 3.98Å; M249-F253 HydrophobicContact CB-CD2 4.31Å; M249-F253 HydrophobicContact CB-CG 4.2Å; M249-F253 HydrophobicContact CE-CD1 3.6Å; M249-F253 HydrophobicContact CE-CD2 3.94Å; M249-F253 HydrophobicContact CE-CE1 3.61Å; M249-F253 HydrophobicContact CE-CE2 3.94Å; M249-F253 HydrophobicContact CE-CG 3.78Å; M249-F253 HydrophobicContact CE-CZ 3.77Å
250P97.2Very high96Very high25 Ų2551 Ų5116%0.16227%0.273CS..  trans-52.9146.7166.8-25.135000112T113 E252 F253 L281T113-P250 HydrophobicContact CG2-CG 3.99Å; P250-E252 VanDerWaalsContact CB-OE2 3.3Å; P250-E252 WeakPolarHBondContact CB-OE2 3.47Å; P250-E252 PolarHBondContact O-N 3.21Å; P250-E252 VanDerWaalsContact O-N 3.09Å; P250-F253 HydrophobicContact CB-CD2 4.05Å; P250-F253 HydrophobicContact CB-CE2 4.38Å; P250-F253 HydrophobicContact CG-CD2 4.17Å; P250-F253 HydrophobicContact CG-CE2 4.14Å; P250-F253 WeakPolarHBondContact O-CB 3.28Å; P250-F253 PolarHBondContact O-N 3.36Å; P250-L281 HydrophobicContact CB-CD1 4.02Å; P250-L281 HydrophobicContact CB-CD2 3.47Å; P250-L281 VanDerWaalsContact CB-CD2 3.47Å; P250-L281 HydrophobicContact CB-CG 4.4Å; P250-L281 HydrophobicContact CG-CD2 3.75Å
251S96.1Very high96Very high80 Ų8053.1 Ų53.156%0.55929%0.289SS*.Hα-helixtrans-58-27.2-174.139.90000113.8F253 L254 E255S251-F253 PolarHBondContact O-N 3.3Å; S251-L254 WeakPolarHBondContact O-CA 3.37Å; S251-L254 VanDerWaalsContact O-CB 3.31Å; S251-L254 WeakPolarHBondContact O-CB 3.38Å; S251-L254 PolarHBondContact O-N 3.1Å; S251-E255 PolarHBondContact O-N 2.96Å; S251-E255 VanDerWaalsContact O-N 3.16Å
252E97.2Very high96.1Very high34 Ų3457.9 Ų57.916%0.15930%0.303CS..Hα-helixtrans-60.8-29.2177-64.179.5179.700112P250 L254 E255 W256 M278 L281P250-E252 VanDerWaalsContact CB-OE2 3.3Å; P250-E252 WeakPolarHBondContact CB-OE2 3.47Å; P250-E252 PolarHBondContact O-N 3.21Å; P250-E252 VanDerWaalsContact O-N 3.09Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-E255 PolarHBondContact O-N 3.37Å; E252-W256 WeakPolarHBondContact O-CB 3.44Å; E252-W256 PolarHBondContact O-N 3.49Å; E252-M278 HydrophobicContact CB-CE 4.36Å; E252-L281 HydrophobicContact CG-CB 4.32Å
253F98Very high96.4Very high1 Ų155.9 Ų55.90%0.00430%0.295CS..Hα-helixtrans-70.2-30.3174.4-74-95.1000112.2V120 L211 A214 L246 M249 P250 S251 W256 H257 M278 L281V120-F253 HydrophobicContact CG2-CE1 4.33Å; V120-F253 HydrophobicContact CG2-CZ 4.46Å; L211-F253 HydrophobicContact CD1-CB 4.37Å; L211-F253 HydrophobicContact CD1-CD1 3.71Å; A214-F253 HydrophobicContact CB-CD1 4.36Å; A214-F253 HydrophobicContact CB-CE1 3.6Å; A214-F253 HydrophobicContact CB-CZ 4.4Å; L246-F253 HydrophobicContact CD2-CB 4.37Å; M249-F253 HydrophobicContact CB-CB 3.98Å; M249-F253 HydrophobicContact CB-CD2 4.31Å; M249-F253 HydrophobicContact CB-CG 4.2Å; M249-F253 HydrophobicContact CE-CD1 3.6Å; M249-F253 HydrophobicContact CE-CD2 3.94Å; M249-F253 HydrophobicContact CE-CE1 3.61Å; M249-F253 HydrophobicContact CE-CE2 3.94Å; M249-F253 HydrophobicContact CE-CG 3.78Å; M249-F253 HydrophobicContact CE-CZ 3.77Å; P250-F253 HydrophobicContact CB-CD2 4.05Å; P250-F253 HydrophobicContact CB-CE2 4.38Å; P250-F253 HydrophobicContact CG-CD2 4.17Å; P250-F253 HydrophobicContact CG-CE2 4.14Å; P250-F253 WeakPolarHBondContact O-CB 3.28Å; P250-F253 PolarHBondContact O-N 3.36Å; S251-F253 PolarHBondContact O-N 3.3Å; F253-W256 AromaticContact CD1-CE3 3.91Å; F253-W256 HydrophobicContact CD1-CE3 3.91Å; F253-W256 HydrophobicContact CD1-CZ3 4.13Å; F253-W256 HydrophobicContact CE1-CE3 4.16Å; F253-W256 AromaticContact CE1-CZ3 3.99Å; F253-W256 HydrophobicContact CE1-CZ3 3.99Å; F253-H257 WeakPolarHBondContact O-CB 3.25Å; F253-H257 PolarHBondContact O-N 3.27Å; F253-M278 HydrophobicContact CE1-SD 4.34Å; F253-M278 HydrophobicContact CE2-CE 4.28Å; F253-M278 HydrophobicContact CE2-SD 3.94Å; F253-M278 HydrophobicContact CZ-CE 4.28Å; F253-M278 HydrophobicContact CZ-SD 3.71Å; F253-L281 HydrophobicContact CE2-CD2 4.28Å
254L97Very high96.7Very high60 Ų6060.9 Ų60.931%0.31430%0.3SS..Hα-helixtrans-71-41.9173.1179.163.1000111Q242 L246 S251 E252 W256 H257 N258Q242-L254 HydrophobicContact CB-CD1 3.89Å; Q242-L254 HydrophobicContact CG-CD1 3.63Å; L246-L254 HydrophobicContact CD1-CB 4.13Å; L246-L254 HydrophobicContact CD1-CD1 3.98Å; S251-L254 WeakPolarHBondContact O-CA 3.37Å; S251-L254 VanDerWaalsContact O-CB 3.31Å; S251-L254 WeakPolarHBondContact O-CB 3.38Å; S251-L254 PolarHBondContact O-N 3.1Å; E252-L254 VanDerWaalsContact C-N 3.32Å; L254-W256 VanDerWaalsContact C-N 3.31Å; L254-W256 PolarHBondContact O-N 3.37Å; L254-H257 PolarHBondContact O-N 3.18Å; L254-N258 PolarHBondContact O-N 3.08Å; L254-N258 PolarHBondContact O-ND2 3.09Å
255E96.9Very high96.9Very high75 Ų7556.5 Ų56.535%0.3528%0.279SS..Hα-helixtrans-58-46.2171.4-67.6178.7-116.800111.1S251 E252 H257 N258 V259 W273 K277S251-E255 PolarHBondContact O-N 2.96Å; S251-E255 VanDerWaalsContact O-N 3.16Å; E252-E255 PolarHBondContact O-N 3.37Å; E255-H257 PolarHBondContact O-N 3.45Å; E255-N258 PolarHBondContact O-N 2.77Å; E255-V259 PolarHBondContact O-N 2.82Å; E255-V259 VanDerWaalsContact O-N 3.11Å; E255-W273 HydrophobicContact CB-CH2 4.17Å; E255-W273 HydrophobicContact CB-CZ2 4.45Å; E255-K277 IonicContact OE1-NZ 3.76Å; E255-K277 IonicContact OE2-NZ 2.71Å; E255-K277 PolarHBondContact OE2-NZ 2.51Å
256W97.9Very high96.9Very high2 Ų261 Ų611%0.00830%0.299CS..Hα-helixtrans-60.1-46.7176.8179.719.9000112.1V120 V124 L207 T210 L211 E252 F253 L254 N258 V259 L260 W273 I274 M278V120-W256 HydrophobicContact CG1-CH2 4.1Å; V120-W256 HydrophobicContact CG1-CZ3 3.83Å; V124-W256 HydrophobicContact CG2-CH2 4.33Å; V124-W256 HydrophobicContact CG2-CZ2 4.41Å; L207-W256 HydrophobicContact CB-CZ2 4.42Å; T210-W256 HydrophobicContact CG2-CH2 3.91Å; L211-W256 HydrophobicContact CB-CE3 4.47Å; L211-W256 HydrophobicContact CB-CH2 4.1Å; L211-W256 HydrophobicContact CB-CZ2 4.29Å; L211-W256 HydrophobicContact CB-CZ3 4.19Å; L211-W256 HydrophobicContact CD1-CD2 4.32Å; L211-W256 HydrophobicContact CD1-CE3 3.77Å; L211-W256 HydrophobicContact CD1-CZ3 4Å; E252-W256 WeakPolarHBondContact O-CB 3.44Å; E252-W256 PolarHBondContact O-N 3.49Å; F253-W256 AromaticContact CD1-CE3 3.91Å; F253-W256 HydrophobicContact CD1-CE3 3.91Å; F253-W256 HydrophobicContact CD1-CZ3 4.13Å; F253-W256 HydrophobicContact CE1-CE3 4.16Å; F253-W256 AromaticContact CE1-CZ3 3.99Å; F253-W256 HydrophobicContact CE1-CZ3 3.99Å; L254-W256 VanDerWaalsContact C-N 3.31Å; L254-W256 PolarHBondContact O-N 3.37Å; W256-N258 VanDerWaalsContact C-N 3.32Å; W256-N258 PolarHBondContact O-N 3.03Å; W256-V259 WeakPolarHBondContact O-CB 3.15Å; W256-V259 PolarHBondContact O-N 3.11Å; W256-V259 VanDerWaalsContact O-N 3.12Å; W256-L260 PolarHBondContact O-N 3.44Å; W256-W273 HydrophobicContact CB-CZ3 4.28Å; W256-I274 HydrophobicContact CD2-CG2 3.96Å; W256-I274 HydrophobicContact CE3-CG2 4.31Å; W256-I274 HydrophobicContact CG-CG1 4.48Å; W256-I274 HydrophobicContact CG-CG2 4.39Å; W256-I274 HydrophobicContact CH2-CG2 4.42Å; W256-I274 HydrophobicContact CZ2-CD1 4.4Å; W256-I274 HydrophobicContact CZ2-CG2 4.08Å; W256-I274 VanDerWaalsContact NE1-CD1 3.32Å; W256-M278 HydrophobicContact CE3-CE 4.34Å
257H97.6Very high97Very high22 Ų2263.6 Ų63.610%0.10231%0.312CS..Hα-helixtrans-56.3-45.1175.1178.8-90.9000112.4L211 Q242 L246 F253 L254 E255 V259 L260 C261L211-H257 HydrophobicContact CD2-CB 3.87Å; Q242-H257 PolarHBondContact OE1-CE1 3.35Å; Q242-H257 PolarHBondContact OE1-ND1 2.72Å; Q242-H257 VanDerWaalsContact OE1-ND1 3.16Å; L246-H257 HydrophobicContact CD1-CB 3.67Å; F253-H257 WeakPolarHBondContact O-CB 3.25Å; F253-H257 PolarHBondContact O-N 3.27Å; L254-H257 PolarHBondContact O-N 3.18Å; E255-H257 PolarHBondContact O-N 3.45Å; H257-V259 VanDerWaalsContact C-N 3.26Å; H257-V259 PolarHBondContact O-N 2.95Å; H257-L260 PolarHBondContact O-N 2.99Å; H257-L260 VanDerWaalsContact O-N 3.12Å; H257-C261 PolarHBondContact CE1-SG 2.98Å; H257-C261 PolarHBondContact O-N 3.11Å; H257-C261 PolarHBondContact O-SG 3.3Å
258N96.8Very high97.2Very high55 Ų5560.4 Ų60.429%0.29431%0.307SS..Hα-helixtrans-62-33.2178.7-69.7-30.2000112.6Q242 L254 E255 W256 K262Q242-N258 PolarHBondContact NE2-OD1 2.7Å; Q242-N258 PolarHBondContact OE1-OD1 2.76Å; L254-N258 PolarHBondContact O-N 3.08Å; L254-N258 PolarHBondContact O-ND2 3.09Å; E255-N258 PolarHBondContact O-N 2.77Å; W256-N258 VanDerWaalsContact C-N 3.32Å; W256-N258 PolarHBondContact O-N 3.03Å; N258-K262 WeakPolarHBondContact O-CG 3.33Å
259V97.1Very high97.4Very high48 Ų4855.7 Ų55.729%0.29128%0.281SS..Hα-helixtrans-67.6-48.5172.2173.10000110.3E255 W256 H257 C261 K262 L263 W273E255-V259 PolarHBondContact O-N 2.82Å; E255-V259 VanDerWaalsContact O-N 3.11Å; W256-V259 WeakPolarHBondContact O-CB 3.15Å; W256-V259 PolarHBondContact O-N 3.11Å; W256-V259 VanDerWaalsContact O-N 3.12Å; H257-V259 VanDerWaalsContact C-N 3.26Å; H257-V259 PolarHBondContact O-N 2.95Å; V259-C261 VanDerWaalsContact C-N 3.26Å; V259-C261 PolarHBondContact O-N 3.05Å; V259-K262 PolarHBondContact O-N 2.79Å; V259-L263 HydrophobicContact CG1-CD1 4.47Å; V259-L263 PolarHBondContact O-N 2.84Å; V259-W273 HydrophobicContact CB-CH2 4.48Å; V259-W273 HydrophobicContact CB-CZ3 4.27Å; V259-W273 HydrophobicContact CG2-CH2 3.63Å; V259-W273 HydrophobicContact CG2-CZ2 4.19Å; V259-W273 HydrophobicContact CG2-CZ3 3.82Å
260L97.3Very high97.5Very high2 Ų259.2 Ų59.21%0.0130%0.301CS..Hα-helixtrans-57.7-37.6179.7-67-177.1000112.8L207 Y208 L211 W256 H257 K262 L263L207-L260 HydrophobicContact CB-CD1 4.48Å; L207-L260 HydrophobicContact CB-CD2 3.71Å; L207-L260 HydrophobicContact CD1-CD2 4.26Å; Y208-L260 HydrophobicContact CD1-CD1 4.06Å; Y208-L260 HydrophobicContact CD2-CB 4.26Å; Y208-L260 HydrophobicContact CD2-CD1 4.36Å; Y208-L260 HydrophobicContact CE1-CB 4.13Å; Y208-L260 HydrophobicContact CE1-CD1 4.31Å; Y208-L260 HydrophobicContact CE2-CB 3.76Å; Y208-L260 HydrophobicContact CG-CD1 4.08Å; L211-L260 HydrophobicContact CB-CD1 4.3Å; L211-L260 HydrophobicContact CD2-CD1 4Å; W256-L260 PolarHBondContact O-N 3.44Å; H257-L260 PolarHBondContact O-N 2.99Å; H257-L260 VanDerWaalsContact O-N 3.12Å; L260-K262 PolarHBondContact O-N 2.86Å; L260-L263 HydrophobicContact CD2-CD1 4.07Å; L260-L263 PolarHBondContact O-N 3.07Å
261C96.2Very high97.5Very high70 Ų7059.1 Ų59.147%0.47330%0.297SS..THydrogen-bonded Turntrans-62.2-22.5177.2-73.10000114.2Y208 H257 V259Y208-C261 WeakPolarHBondContact OH-CA 3.47Å; Y208-C261 PolarHBondContact OH-N 2.91Å; Y208-C261 PolarHBondContact OH-SG 3.28Å; H257-C261 PolarHBondContact CE1-SG 2.98Å; H257-C261 PolarHBondContact O-N 3.11Å; H257-C261 PolarHBondContact O-SG 3.3Å; V259-C261 VanDerWaalsContact C-N 3.26Å; V259-C261 PolarHBondContact O-N 3.05Å
262K97.4Very high97.6Very high167 Ų16759.8 Ų59.873%0.72630%0.295SS*.THydrogen-bonded Turntrans-91.1-21.7-179.7-64173.8-174.9178.80112.6N258 V259 L260N258-K262 WeakPolarHBondContact O-CG 3.33Å; V259-K262 PolarHBondContact O-N 2.79Å; L260-K262 PolarHBondContact O-N 2.86Å
263L98.2Very high97.7Very high31 Ų3161.7 Ų61.716%0.16230%0.3CS..  trans-73.9139.8-177.6-63.9175.8000111.4H204 V259 L260 D267 P269H204-L263 HydrophobicContact CB-CB 3.67Å; H204-L263 HydrophobicContact CB-CD1 3.79Å; H204-L263 HydrophobicContact CB-CG 4.4Å; V259-L263 HydrophobicContact CG1-CD1 4.47Å; V259-L263 PolarHBondContact O-N 2.84Å; L260-L263 HydrophobicContact CD2-CD1 4.07Å; L260-L263 PolarHBondContact O-N 3.07Å; L263-D267 HydrophobicContact CD2-CB 3.78Å; L263-P269 HydrophobicContact CD1-CB 4Å; L263-P269 HydrophobicContact CD1-CG 4.15Å
264R97.5Very high97.7Very high190 Ų19061.8 Ų61.872%0.71730%0.301SS*.  trans-118.6172.7174.2-54.9-147.8-76.6-155-0.9110F266 D267R264-F266 PolarHBondContact O-N 3.24Å; R264-F266 VanDerWaalsContact O-N 3.09Å; R264-D267 WeakPolarHBondContact CA-OD2 3.39Å; R264-D267 WeakPolarHBondContact CB-OD2 3.31Å; R264-D267 PolarHBondContact N-OD2 3.15Å; R264-D267 WeakPolarHBondContact O-CB 3.21Å; R264-D267 PolarHBondContact O-N 2.98Å
265Y97.8Very high97.8Very high29 Ų2959.2 Ų59.211%0.11429%0.288CS..THydrogen-bonded Turntrans-48.8-41-176.5176.1-98000114.2R176 P178 E200 L201R176-Y265 VanDerWaalsContact O-CE1 3.23Å; R176-Y265 WeakPolarHBondContact O-CE1 3.41Å; R176-Y265 PolarHBondContact O-OH 3.33Å; R176-Y265 VanDerWaalsContact O-OH 3.07Å; P178-Y265 HydrophobicContact CB-CD1 4.05Å; P178-Y265 HydrophobicContact CB-CE1 4.08Å; P178-Y265 HydrophobicContact CB-CG 4.28Å; P178-Y265 HydrophobicContact CG-CD1 4.12Å; P178-Y265 HydrophobicContact CG-CE1 4.3Å; E200-Y265 HydrophobicContact CB-CD2 4.47Å; E200-Y265 HydrophobicContact CB-CE2 4.34Å; E200-Y265 HydrophobicContact CG-CD2 4.16Å; E200-Y265 HydrophobicContact CG-CE2 3.57Å; L201-Y265 VanDerWaalsContact O-CE2 3.23Å; L201-Y265 WeakPolarHBondContact O-CE2 3.46Å
266F97.8Very high97.9Very high99 Ų9958.9 Ų58.943%0.43429%0.286SS..THydrogen-bonded Turntrans-82.8-14.4-177.1-62.9-72.2000114L175 P178 R203 R264L175-F266 HydrophobicContact CB-CD1 4.32Å; L175-F266 HydrophobicContact CD1-CB 4.22Å; L175-F266 HydrophobicContact CD1-CD1 3.85Å; L175-F266 WeakPolarHBondContact CD1-O 3.11Å; P178-F266 VanDerWaalsContact CD-CZ 3.48Å; P178-F266 HydrophobicContact CG-CE2 4.34Å; P178-F266 HydrophobicContact CG-CZ 4Å; R203-F266 PolarHBondContact NH2-O 3.44Å; R264-F266 PolarHBondContact O-N 3.24Å; R264-F266 VanDerWaalsContact O-N 3.09Å
267D97.9Very high97.9Very high64 Ų6460.5 Ų60.534%0.34229%0.293SS..PPolyproline II helixtrans-75.8144.3-175.7-60-41000110.8R203 L263 R264R203-D267 PolarHBondContact NE-O 3.45Å; R203-D267 PolarHBondContact NH2-O 2.84Å; L263-D267 HydrophobicContact CD2-CB 3.78Å; R264-D267 WeakPolarHBondContact CA-OD2 3.39Å; R264-D267 WeakPolarHBondContact CB-OD2 3.31Å; R264-D267 PolarHBondContact N-OD2 3.15Å; R264-D267 WeakPolarHBondContact O-CB 3.21Å; R264-D267 PolarHBondContact O-N 2.98Å
268T98Very high97.9Very high94 Ų9459.5 Ų59.558%0.57729%0.288SS*.PPolyproline II helixtrans-92118.4171.1-58.60000107.8R203 Y271R203-T268 VanDerWaalsContact CZ-OG1 3.3Å; R203-T268 PolarHBondContact NH1-OG1 3.16Å; R203-T268 PolarHBondContact NH2-OG1 3.38Å; T268-Y271 HydrophobicContact CG2-CE2 4.46Å
269P98.4Very high98Very high4 Ų461.4 Ų61.43%0.02629%0.291CS..PPolyproline II helixtrans-62.3143.7174.2-19.531.1000111.5R203 L207 L263 Y271R203-P269 HydrophobicContact CB-CG 3.71Å; L207-P269 HydrophobicContact CD1-CB 3.38Å; L207-P269 HydrophobicContact CD1-CG 3.74Å; L263-P269 HydrophobicContact CD1-CB 4Å; L263-P269 HydrophobicContact CD1-CG 4.15Å; P269-Y271 HydrophobicContact CB-CE1 4.18Å; P269-Y271 HydrophobicContact CB-CE2 4.29Å; P269-Y271 HydrophobicContact CG-CE1 4.35Å; P269-Y271 WeakPolarHBondContact O-CD2 3.33Å; P269-Y271 VanDerWaalsContact O-CE2 3.24Å; P269-Y271 WeakPolarHBondContact O-CE2 3.37Å; P269-Y271 PolarHBondContact O-N 3.42Å; P269-Y271 VanDerWaalsContact O-N 3.14Å
270D98.4Very high98Very high92 Ų9263.1 Ų63.149%0.49230%0.296SS..  trans-82.885.8170.4-168.7-20.7000109.5D272 W273 I274D270-D272 VanDerWaalsContact C-N 3.3Å; D270-D272 PolarHBondContact O-N 3.24Å; D270-D272 PolarHBondContact OD1-N 3.28Å; D270-W273 HydrophobicContact CB-CB 3.94Å; D270-W273 WeakPolarHBondContact OD1-CB 2.85Å; D270-W273 PolarHBondContact OD1-N 3.36Å; D270-W273 WeakPolarHBondContact OD2-CB 3.38Å; D270-I274 WeakPolarHBondContact O-CG1 3.35Å; D270-I274 PolarHBondContact O-N 3.07Å
271Y98.7Very high98Very high22 Ų2263.1 Ų63.19%0.08630%0.296CS..Hα-helixtrans-62.6-39.2-179-55.3-85.6000111.9V124 R128 H131 R203 L207 T268 P269 I274 I275V124-Y271 HydrophobicContact CG1-CD1 4.38Å; R128-Y271 HydrophobicContact CB-CD1 3.74Å; R128-Y271 HydrophobicContact CB-CD2 4.24Å; R128-Y271 HydrophobicContact CB-CE1 4.27Å; R128-Y271 HydrophobicContact CB-CG 3.73Å; R128-Y271 HydrophobicContact CG-CD1 4.24Å; R128-Y271 HydrophobicContact CG-CD2 3.79Å; R128-Y271 HydrophobicContact CG-CE2 4.36Å; R128-Y271 HydrophobicContact CG-CG 3.73Å; H131-Y271 WeakPolarHBondContact CB-OH 3.47Å; H131-Y271 AromaticContact ND1-CE1 3.49Å; H131-Y271 WeakPolarHBondContact ND1-CE1 3.36Å; H131-Y271 AromaticContact ND1-CZ 3.52Å; H131-Y271 PolarHBondContact ND1-OH 2.65Å; R203-Y271 WeakPolarHBondContact CD-OH 3.03Å; L207-Y271 HydrophobicContact CD1-CD1 4.31Å; L207-Y271 HydrophobicContact CD1-CE1 4.07Å; L207-Y271 HydrophobicContact CD2-CD1 4.37Å; L207-Y271 HydrophobicContact CD2-CE1 4.37Å; L207-Y271 HydrophobicContact CG-CE1 4.5Å; T268-Y271 HydrophobicContact CG2-CE2 4.46Å; P269-Y271 HydrophobicContact CB-CE1 4.18Å; P269-Y271 HydrophobicContact CB-CE2 4.29Å; P269-Y271 HydrophobicContact CG-CE1 4.35Å; P269-Y271 WeakPolarHBondContact O-CD2 3.33Å; P269-Y271 VanDerWaalsContact O-CE2 3.24Å; P269-Y271 WeakPolarHBondContact O-CE2 3.37Å; P269-Y271 PolarHBondContact O-N 3.42Å; P269-Y271 VanDerWaalsContact O-N 3.14Å; Y271-I274 PolarHBondContact O-N 3.48Å; Y271-I275 WeakPolarHBondContact O-CG1 3.38Å; Y271-I275 PolarHBondContact O-N 3.49Å
272D98.6Very high98.1Very high94 Ų9460 Ų6050%0.50328%0.275SS..Hα-helixtrans-71.1-34.9-175.4-62.7-32.3000110.8R128 D270 I274 I275 E276R128-D272 IonicContact CZ-OD1 3.38Å; R128-D272 IonicContact NH1-OD1 2.7Å; R128-D272 PolarHBondContact NH1-OD1 2.99Å; D270-D272 VanDerWaalsContact C-N 3.3Å; D270-D272 PolarHBondContact O-N 3.24Å; D270-D272 PolarHBondContact OD1-N 3.28Å; D272-I274 PolarHBondContact O-N 3.38Å; D272-I275 PolarHBondContact O-N 2.87Å; D272-E276 VanDerWaalsContact O-CB 3.27Å; D272-E276 WeakPolarHBondContact O-CB 3.21Å; D272-E276 PolarHBondContact O-N 3.35Å
273W98.6Very high98.1Very high74 Ų7459.1 Ų59.128%0.2827%0.267SS..Hα-helixtrans-60.1-42.9169.917789.4000112.5E255 W256 V259 D270 E276 K277E255-W273 HydrophobicContact CB-CH2 4.17Å; E255-W273 HydrophobicContact CB-CZ2 4.45Å; W256-W273 HydrophobicContact CB-CZ3 4.28Å; V259-W273 HydrophobicContact CB-CH2 4.48Å; V259-W273 HydrophobicContact CB-CZ3 4.27Å; V259-W273 HydrophobicContact CG2-CH2 3.63Å; V259-W273 HydrophobicContact CG2-CZ2 4.19Å; V259-W273 HydrophobicContact CG2-CZ3 3.82Å; D270-W273 HydrophobicContact CB-CB 3.94Å; D270-W273 WeakPolarHBondContact OD1-CB 2.85Å; D270-W273 PolarHBondContact OD1-N 3.36Å; D270-W273 WeakPolarHBondContact OD2-CB 3.38Å; W273-E276 PolarHBondContact O-N 2.9Å; W273-K277 HydrophobicContact CD2-CG 4.04Å; W273-K277 HydrophobicContact CE3-CG 4.41Å; W273-K277 HydrophobicContact CH2-CG 4.19Å; W273-K277 HydrophobicContact CZ2-CD 4.14Å; W273-K277 HydrophobicContact CZ2-CG 3.82Å; W273-K277 HydrophobicContact CZ3-CG 4.47Å; W273-K277 WeakPolarHBondContact O-CB 3.44Å; W273-K277 VanDerWaalsContact O-CG 3.28Å; W273-K277 WeakPolarHBondContact O-CG 3.5Å; W273-K277 PolarHBondContact O-N 3.33Å
274I98.5Very high98.1Very high4 Ų461.6 Ų61.62%0.02129%0.292CS..Hα-helixtrans-63.2-47.3177.8-59164.7000109.8V124 L207 W256 D270 Y271 D272 E276 K277 M278V124-I274 HydrophobicContact CG1-CB 4.31Å; V124-I274 HydrophobicContact CG1-CG2 4.34Å; V124-I274 HydrophobicContact CG2-CG2 3.94Å; L207-I274 HydrophobicContact CD1-CD1 3.84Å; L207-I274 HydrophobicContact CD2-CD1 4.39Å; W256-I274 HydrophobicContact CD2-CG2 3.96Å; W256-I274 HydrophobicContact CE3-CG2 4.31Å; W256-I274 HydrophobicContact CG-CG1 4.48Å; W256-I274 HydrophobicContact CG-CG2 4.39Å; W256-I274 HydrophobicContact CH2-CG2 4.42Å; W256-I274 HydrophobicContact CZ2-CD1 4.4Å; W256-I274 HydrophobicContact CZ2-CG2 4.08Å; W256-I274 VanDerWaalsContact NE1-CD1 3.32Å; D270-I274 WeakPolarHBondContact O-CG1 3.35Å; D270-I274 PolarHBondContact O-N 3.07Å; Y271-I274 PolarHBondContact O-N 3.48Å; D272-I274 PolarHBondContact O-N 3.38Å; I274-E276 VanDerWaalsContact C-N 3.35Å; I274-E276 PolarHBondContact O-N 3.02Å; I274-K277 PolarHBondContact O-N 3.38Å; I274-M278 WeakPolarHBondContact O-CG 3.43Å; I274-M278 PolarHBondContact O-N 2.97Å; I274-M278 VanDerWaalsContact O-N 3.09Å
275I98.7Very high98Very high6 Ų658.5 Ų58.53%0.03128%0.284CS..Hα-helixtrans-60.3-46.2178.7-68.4162.5000110.4I121 V124 E125 Y271 D272 K277 M278 R279I121-I275 HydrophobicContact CG2-CG2 4.18Å; V124-I275 HydrophobicContact CB-CG1 4.19Å; V124-I275 HydrophobicContact CG1-CD1 4.12Å; V124-I275 HydrophobicContact CG1-CG1 3.82Å; E125-I275 HydrophobicContact CG-CD1 3.59Å; E125-I275 HydrophobicContact CG-CG1 4.32Å; Y271-I275 WeakPolarHBondContact O-CG1 3.38Å; Y271-I275 PolarHBondContact O-N 3.49Å; D272-I275 PolarHBondContact O-N 2.87Å; I275-K277 PolarHBondContact O-N 2.79Å; I275-M278 WeakPolarHBondContact O-CB 3.47Å; I275-M278 PolarHBondContact O-N 3.07Å; I275-R279 HydrophobicContact CG2-CG 4.46Å; I275-R279 WeakPolarHBondContact O-CG 3.23Å; I275-R279 PolarHBondContact O-N 2.78Å
276E98.4Very high98Very high67 Ų6759.5 Ų59.531%0.31330%0.302SS..Hα-helixtrans-67.5-36-179.1-179.952.1-154.700112D272 W273 I274 M278 R279 Q280 R283D272-E276 VanDerWaalsContact O-CB 3.27Å; D272-E276 WeakPolarHBondContact O-CB 3.21Å; D272-E276 PolarHBondContact O-N 3.35Å; W273-E276 PolarHBondContact O-N 2.9Å; I274-E276 VanDerWaalsContact C-N 3.35Å; I274-E276 PolarHBondContact O-N 3.02Å; E276-M278 VanDerWaalsContact C-N 3.33Å; E276-M278 PolarHBondContact O-N 3.36Å; E276-R279 PolarHBondContact O-N 3.35Å; E276-Q280 HydrophobicContact CG-CG 4.45Å; E276-Q280 WeakPolarHBondContact O-CB 3.1Å; E276-Q280 VanDerWaalsContact O-CG 3.27Å; E276-Q280 WeakPolarHBondContact O-CG 3.11Å; E276-Q280 PolarHBondContact O-N 3.46Å; E276-Q280 WeakPolarHBondContact OE1-CG 3.5Å; E276-Q280 PolarHBondContact OE1-NE2 3.13Å; E276-R283 IonicContact OE1-CZ 3.69Å; E276-R283 IonicContact OE1-NH1 3.58Å; E276-R283 IonicContact OE1-NH2 2.71Å; E276-R283 PolarHBondContact OE1-NH2 3.14Å
277K98.2Very high97.9Very high37 Ų3758 Ų5816%0.16129%0.294CS..Hα-helixtrans-59.5-43.1171.1-77.8-75.3176.3171.60112E255 W273 I274 I275 Q280 L281E255-K277 IonicContact OE1-NZ 3.76Å; E255-K277 IonicContact OE2-NZ 2.71Å; E255-K277 PolarHBondContact OE2-NZ 2.51Å; W273-K277 HydrophobicContact CD2-CG 4.04Å; W273-K277 HydrophobicContact CE3-CG 4.41Å; W273-K277 HydrophobicContact CH2-CG 4.19Å; W273-K277 HydrophobicContact CZ2-CD 4.14Å; W273-K277 HydrophobicContact CZ2-CG 3.82Å; W273-K277 HydrophobicContact CZ3-CG 4.47Å; W273-K277 WeakPolarHBondContact O-CB 3.44Å; W273-K277 VanDerWaalsContact O-CG 3.28Å; W273-K277 WeakPolarHBondContact O-CG 3.5Å; W273-K277 PolarHBondContact O-N 3.33Å; I274-K277 PolarHBondContact O-N 3.38Å; I275-K277 PolarHBondContact O-N 2.79Å; K277-Q280 PolarHBondContact O-N 3.05Å; K277-L281 WeakPolarHBondContact O-CB 3.32Å; K277-L281 PolarHBondContact O-N 2.91Å
278M98.4Very high97.8Very high0 Ų060.3 Ų60.30%030%0.303CS..Hα-helixtrans-64.9-42175.6-66.8-51.1117.100112I117 V120 I121 E252 F253 W256 I274 I275 E276 L281 M282I117-M278 HydrophobicContact CG2-CB 3.75Å; I117-M278 HydrophobicContact CG2-CG 4.32Å; I117-M278 HydrophobicContact CG2-SD 4.18Å; V120-M278 HydrophobicContact CG1-CG 3.95Å; V120-M278 HydrophobicContact CG1-SD 4.11Å; I121-M278 HydrophobicContact CD1-CB 3.87Å; I121-M278 HydrophobicContact CG1-CB 3.53Å; I121-M278 HydrophobicContact CG1-CG 4.22Å; E252-M278 HydrophobicContact CB-CE 4.36Å; F253-M278 HydrophobicContact CE1-SD 4.34Å; F253-M278 HydrophobicContact CE2-CE 4.28Å; F253-M278 HydrophobicContact CE2-SD 3.94Å; F253-M278 HydrophobicContact CZ-CE 4.28Å; F253-M278 HydrophobicContact CZ-SD 3.71Å; W256-M278 HydrophobicContact CE3-CE 4.34Å; I274-M278 WeakPolarHBondContact O-CG 3.43Å; I274-M278 PolarHBondContact O-N 2.97Å; I274-M278 VanDerWaalsContact O-N 3.09Å; I275-M278 WeakPolarHBondContact O-CB 3.47Å; I275-M278 PolarHBondContact O-N 3.07Å; E276-M278 VanDerWaalsContact C-N 3.33Å; E276-M278 PolarHBondContact O-N 3.36Å; M278-L281 PolarHBondContact O-N 2.88Å; M278-M282 WeakPolarHBondContact O-CG 3.49Å; M278-M282 PolarHBondContact O-N 3.45Å
279R98.1Very high97.5Very high96 Ų9660.9 Ų60.936%0.36230%0.299SS..Hα-helixtrans-66.2-39176.3-70.7180177.3170.73.8112.7I121 E125 I275 E276 L281 M282 R283I121-R279 HydrophobicContact CD1-CG 3.97Å; E125-R279 IonicContact OE1-NH2 3.03Å; I275-R279 HydrophobicContact CG2-CG 4.46Å; I275-R279 WeakPolarHBondContact O-CG 3.23Å; I275-R279 PolarHBondContact O-N 2.78Å; E276-R279 PolarHBondContact O-N 3.35Å; R279-L281 VanDerWaalsContact C-N 3.34Å; R279-M282 WeakPolarHBondContact O-CB 3Å; R279-M282 PolarHBondContact O-N 2.75Å; R279-R283 WeakPolarHBondContact O-CG 2.65Å; R279-R283 PolarHBondContact O-N 2.91Å
280Q97.8Very high97.3Very high83 Ų8366.1 Ų66.139%0.38833%0.327SS..Hα-helixtrans-60-45.7173.1-77171.611.300111.1E276 K277 M282 R283 A284E276-Q280 HydrophobicContact CG-CG 4.45Å; E276-Q280 WeakPolarHBondContact O-CB 3.1Å; E276-Q280 VanDerWaalsContact O-CG 3.27Å; E276-Q280 WeakPolarHBondContact O-CG 3.11Å; E276-Q280 PolarHBondContact O-N 3.46Å; E276-Q280 WeakPolarHBondContact OE1-CG 3.5Å; E276-Q280 PolarHBondContact OE1-NE2 3.13Å; K277-Q280 PolarHBondContact O-N 3.05Å; Q280-M282 VanDerWaalsContact C-N 3.34Å; Q280-M282 PolarHBondContact O-N 3.27Å; Q280-R283 PolarHBondContact O-N 2.8Å; Q280-A284 WeakPolarHBondContact O-CB 3.19Å; Q280-A284 PolarHBondContact O-N 2.71Å
281L97.6Very high97.1Very high3 Ų363.1 Ų63.12%0.01631%0.313CS..Hα-helixtrans-62.4-40.1176.6175.958.6000112I117 P250 E252 F253 K277 M278 R279 A284 K285I117-L281 HydrophobicContact CD1-CD2 3.43Å; I117-L281 VanDerWaalsContact CD1-CD2 3.43Å; I117-L281 HydrophobicContact CD1-CG 3.67Å; I117-L281 HydrophobicContact CG1-CD2 4.02Å; P250-L281 HydrophobicContact CB-CD1 4.02Å; P250-L281 HydrophobicContact CB-CD2 3.47Å; P250-L281 VanDerWaalsContact CB-CD2 3.47Å; P250-L281 HydrophobicContact CB-CG 4.4Å; P250-L281 HydrophobicContact CG-CD2 3.75Å; E252-L281 HydrophobicContact CG-CB 4.32Å; F253-L281 HydrophobicContact CE2-CD2 4.28Å; K277-L281 WeakPolarHBondContact O-CB 3.32Å; K277-L281 PolarHBondContact O-N 2.91Å; M278-L281 PolarHBondContact O-N 2.88Å; R279-L281 VanDerWaalsContact C-N 3.34Å; L281-A284 PolarHBondContact O-N 2.82Å; L281-K285 HydrophobicContact CD1-CG 3.94Å; L281-K285 WeakPolarHBondContact O-CB 3.03Å; L281-K285 WeakPolarHBondContact O-CG 3.32Å; L281-K285 PolarHBondContact O-N 3.43Å
282M97.8Very high96.9Very high5 Ų564 Ų643%0.02532%0.322CS..Hα-helixtrans-59.1-49.5173.1-73.2176.562.700111.6I117 R118 I121 M278 R279 Q280 A284 K285 G286 Y287 E289I117-M282 HydrophobicContact CB-CG 4.39Å; I117-M282 HydrophobicContact CG2-CG 3.64Å; I117-M282 HydrophobicContact CG2-SD 3.94Å; R118-M282 HydrophobicContact CG-CE 3.54Å; R118-M282 HydrophobicContact CG-SD 3.76Å; I121-M282 HydrophobicContact CD1-SD 3.62Å; M278-M282 WeakPolarHBondContact O-CG 3.49Å; M278-M282 PolarHBondContact O-N 3.45Å; R279-M282 WeakPolarHBondContact O-CB 3Å; R279-M282 PolarHBondContact O-N 2.75Å; Q280-M282 VanDerWaalsContact C-N 3.34Å; Q280-M282 PolarHBondContact O-N 3.27Å; M282-A284 PolarHBondContact O-N 3.32Å; M282-K285 CarbonylContact O-C 3.15Å; M282-K285 PolarHBondContact O-N 2.95Å; M282-G286 PolarHBondContact O-N 2.73Å; M282-Y287 HydrophobicContact CG-CD2 4.49Å; M282-Y287 PolarHBondContact O-N 3.06Å; M282-E289 HydrophobicContact CE-CG 4.23Å
283R97.5Very high96.8Very high148 Ų14859.9 Ų59.956%0.55830%0.299SS*.Hα-helixtrans-59.5-45.4177.5-68.9-171.5-61.3-95.29.9111.8E276 R279 Q280 K285 G286E276-R283 IonicContact OE1-CZ 3.69Å; E276-R283 IonicContact OE1-NH1 3.58Å; E276-R283 IonicContact OE1-NH2 2.71Å; E276-R283 PolarHBondContact OE1-NH2 3.14Å; R279-R283 WeakPolarHBondContact O-CG 2.65Å; R279-R283 PolarHBondContact O-N 2.91Å; Q280-R283 PolarHBondContact O-N 2.8Å; R283-K285 PolarHBondContact O-N 2.74Å; R283-G286 PolarHBondContact O-N 3.44Å; R283-G286 VanDerWaalsContact O-N 3.11Å
284A97.3Very high96.7Very high82 Ų8256.7 Ų56.768%0.67829%0.287SS*.Hα-helixtrans-63.2-28.817900000113.2Q280 L281 M282Q280-A284 WeakPolarHBondContact O-CB 3.19Å; Q280-A284 PolarHBondContact O-N 2.71Å; L281-A284 PolarHBondContact O-N 2.82Å; M282-A284 PolarHBondContact O-N 3.32Å
285K96.4Very high96.5Very high126 Ų12657.7 Ų57.755%0.54829%0.291SS..Hα-helixtrans-94.7-1.8176.6-64.1-65.8-176.7-174.50113.9L281 M282 R283 Y287L281-K285 HydrophobicContact CD1-CG 3.94Å; L281-K285 WeakPolarHBondContact O-CB 3.03Å; L281-K285 WeakPolarHBondContact O-CG 3.32Å; L281-K285 PolarHBondContact O-N 3.43Å; M282-K285 CarbonylContact O-C 3.15Å; M282-K285 PolarHBondContact O-N 2.95Å; R283-K285 PolarHBondContact O-N 2.74Å; K285-Y287 VanDerWaalsContact C-N 3.26Å; K285-Y287 HydrophobicContact CB-CD1 4.1Å; K285-Y287 HydrophobicContact CB-CD2 3.69Å; K285-Y287 HydrophobicContact CB-CE1 3.89Å; K285-Y287 HydrophobicContact CB-CE2 3.46Å; K285-Y287 VanDerWaalsContact CB-CE2 3.46Å; K285-Y287 HydrophobicContact CB-CG 4Å; K285-Y287 HydrophobicContact CG-CD2 4.43Å; K285-Y287 HydrophobicContact CG-CE2 3.88Å; K285-Y287 PolarHBondContact O-N 3.28Å
286G96.7Very high96.2Very high49 Ų4958.5 Ų58.551%0.50530%0.295SS..THydrogen-bonded Turntrans69.718.4-176.700000114.4M282 R283 Q288M282-G286 PolarHBondContact O-N 2.73Å; R283-G286 PolarHBondContact O-N 3.44Å; R283-G286 VanDerWaalsContact O-N 3.11Å; G286-Q288 PolarHBondContact O-NE2 2.77Å
287Y96.3Very high95.8Very high68 Ų6862.7 Ų62.727%0.26731%0.314SS..  trans-75133.8178.3-59.6-27.9000111T113 N114 I117 M282 K285T113-Y287 HydrophobicContact CG2-CE2 4.11Å; N114-Y287 HydrophobicContact CB-CD1 3.97Å; N114-Y287 HydrophobicContact CB-CD2 3.83Å; N114-Y287 HydrophobicContact CB-CE1 4.15Å; N114-Y287 HydrophobicContact CB-CE2 4.02Å; N114-Y287 HydrophobicContact CB-CG 3.81Å; I117-Y287 HydrophobicContact CD1-CD2 4.26Å; I117-Y287 HydrophobicContact CD1-CE2 4.14Å; M282-Y287 HydrophobicContact CG-CD2 4.49Å; M282-Y287 PolarHBondContact O-N 3.06Å; K285-Y287 VanDerWaalsContact C-N 3.26Å; K285-Y287 HydrophobicContact CB-CD1 4.1Å; K285-Y287 HydrophobicContact CB-CD2 3.69Å; K285-Y287 HydrophobicContact CB-CE1 3.89Å; K285-Y287 HydrophobicContact CB-CE2 3.46Å; K285-Y287 VanDerWaalsContact CB-CE2 3.46Å; K285-Y287 HydrophobicContact CB-CG 4Å; K285-Y287 HydrophobicContact CG-CD2 4.43Å; K285-Y287 HydrophobicContact CG-CE2 3.88Å; K285-Y287 PolarHBondContact O-N 3.28Å
288Q94.9Very high95.5Very high112 Ų11264 Ų6452%0.52334%0.339SS..  trans-99149.5177.4-51.6-58.2-5100110.7G286 D290 S291G286-Q288 PolarHBondContact O-NE2 2.77Å; Q288-D290 VanDerWaalsContact C-N 3.29Å; Q288-D290 WeakPolarHBondContact CB-OD1 3.21Å; Q288-D290 PolarHBondContact O-N 2.82Å; Q288-S291 VanDerWaalsContact O-CB 3.31Å; Q288-S291 WeakPolarHBondContact O-CB 3.27Å; Q288-S291 PolarHBondContact O-N 3.45Å; Q288-S291 PolarHBondContact O-OG 3Å; Q288-S291 VanDerWaalsContact O-OG 3.13Å
289E92.6Very high95.2Very high107 Ų10764.7 Ų64.750%0.535%0.345SS..THydrogen-bonded Turntrans-63.6-35.8178.8-69.4-68.7176.600112.4R118 M282 S291R118-E289 PolarHBondContact NH1-O 3.28Å; M282-E289 HydrophobicContact CE-CG 4.23Å; E289-S291 VanDerWaalsContact C-N 3.31Å; E289-S291 PolarHBondContact O-N 2.76Å
290D93.3Very high94.8Very high114 Ų11465.3 Ų65.361%0.6136%0.355SS*.THydrogen-bonded Turntrans-84.4-2.3-178.167.8-17.4000114.2R155 Q288R155-D290 PolarHBondContact NH1-O 2.91Å; R155-D290 PolarHBondContact NH2-O 3.18Å; Q288-D290 VanDerWaalsContact C-N 3.29Å; Q288-D290 WeakPolarHBondContact CB-OD1 3.21Å; Q288-D290 PolarHBondContact O-N 2.82Å
291S94.2Very high94.5Very high28 Ų2861.6 Ų61.620%0.19634%0.339CS..SBendtrans-55.9141.1175.1-68.40000110.5N114 R118 Q288 E289 Y293N114-S291 VanDerWaalsContact ND2-CB 3.29Å; N114-S291 WeakPolarHBondContact ND2-CB 3.4Å; R118-S291 PolarHBondContact NH1-O 3.43Å; R118-S291 PolarHBondContact NH2-O 2.77Å; Q288-S291 VanDerWaalsContact O-CB 3.31Å; Q288-S291 WeakPolarHBondContact O-CB 3.27Å; Q288-S291 PolarHBondContact O-N 3.45Å; Q288-S291 PolarHBondContact O-OG 3Å; Q288-S291 VanDerWaalsContact O-OG 3.13Å; E289-S291 VanDerWaalsContact C-N 3.31Å; E289-S291 PolarHBondContact O-N 2.76Å; S291-Y293 PolarHBondContact O-N 2.88Å
292P95.1Very high94.1Very high42 Ų4264.7 Ų64.727%0.27335%0.351SS..PPolyproline II helixtrans-60.1138.5178.724.4-32.3000110.9R118 E296 E297 G298R118-P292 PolarHBondContact NH2-O 3.31Å; R118-P292 VanDerWaalsContact NH2-O 3.1Å; P292-E296 WeakPolarHBondContact CA-OE2 3.31Å; P292-E296 HydrophobicContact CB-CB 3.99Å; P292-E297 WeakPolarHBondContact CB-O 3.48Å; P292-G298 WeakPolarHBondContact CG-O 3.48Å
293Y96.9Very high93.6Very high7 Ų771.3 Ų71.33%0.02738%0.383CS..PPolyproline II helixtrans-65.1161162.1-71.8-67.3000110T115 R118 L119 Q122 M147 R155 S291 W295 E296 G299T115-Y293 HydrophobicContact CG2-CD1 3.84Å; R118-Y293 HydrophobicContact CB-CE1 3.88Å; L119-Y293 HydrophobicContact CD2-CE1 4.23Å; L119-Y293 HydrophobicContact CG-CE1 4.17Å; Q122-Y293 PolarHBondContact NE2-OH 3.31Å; M147-Y293 HydrophobicContact CE-CD2 4.26Å; M147-Y293 HydrophobicContact CE-CE2 3.9Å; R155-Y293 HydrophobicContact CB-CE2 4.25Å; R155-Y293 HydrophobicContact CG-CD2 4.33Å; R155-Y293 HydrophobicContact CG-CE2 4.16Å; S291-Y293 PolarHBondContact O-N 2.88Å; Y293-W295 AromaticContact CD1-CH2 3.95Å; Y293-W295 HydrophobicContact CD1-CH2 3.95Å; Y293-W295 HydrophobicContact CD1-CZ2 4.04Å; Y293-W295 AromaticContact CD2-CZ2 3.96Å; Y293-W295 HydrophobicContact CD2-CZ2 3.96Å; Y293-W295 AromaticContact CG-CH2 3.96Å; Y293-W295 HydrophobicContact CG-CH2 3.96Å; Y293-W295 AromaticContact CG-CZ2 3.6Å; Y293-W295 HydrophobicContact CG-CZ2 3.6Å; Y293-W295 PolarHBondContact O-N 3.45Å; Y293-E296 PolarHBondContact N-OE2 3.22Å; Y293-E296 PolarHBondContact O-N 2.77Å; Y293-G299 WeakPolarHBondContact O-CA 3.33Å
294D96.5Very high93Very high6 Ų669.2 Ų69.23%0.03238%0.38CS..THydrogen-bonded Turntrans-57.6-27.3-173.6-62.1-10.7000113.4V106 F111 K112 T115 S301 Y302V106-D294 HydrophobicContact CG1-CB 4.26Å; F111-D294 WeakPolarHBondContact CA-OD2 3.46Å; F111-D294 VanDerWaalsContact CB-OD2 3.29Å; F111-D294 WeakPolarHBondContact CB-OD2 3.39Å; F111-D294 HydrophobicContact CD1-CB 4.25Å; F111-D294 WeakPolarHBondContact CD1-OD2 3.24Å; K112-D294 WeakPolarHBondContact CB-OD1 3.3Å; K112-D294 WeakPolarHBondContact CG-OD1 3.39Å; K112-D294 PolarHBondContact N-OD2 3.35Å; T115-D294 WeakPolarHBondContact CB-OD1 3.49Å; T115-D294 PolarHBondContact OG1-N 3.34Å; T115-D294 PolarHBondContact OG1-OD1 3.11Å; D294-S301 CarbonylContact O-C 3.5Å; D294-S301 WeakPolarHBondContact O-CA 3.35Å; D294-S301 WeakPolarHBondContact O-CB 3.44Å; D294-S301 PolarHBondContact O-N 3.03Å; D294-Y302 PolarHBondContact O-N 3.33Å; D294-Y302 VanDerWaalsContact O-N 3.07Å
295W94Very high92.3Very high25 Ų2565.3 Ų65.310%0.09535%0.347CS..THydrogen-bonded Turntrans-97.31.1-18058.779.5000114.5L99 L102 F111 T115 L119 M147 Y293 Y302 T305L99-W295 HydrophobicContact CD2-CH2 4.35Å; L102-W295 HydrophobicContact CB-CD2 4.48Å; L102-W295 HydrophobicContact CB-CE3 4.15Å; L102-W295 HydrophobicContact CB-CZ3 4.43Å; L102-W295 HydrophobicContact CD1-CD2 4.12Å; L102-W295 HydrophobicContact CD1-CE3 4.35Å; L102-W295 HydrophobicContact CD1-CH2 4.24Å; L102-W295 HydrophobicContact CD1-CZ2 3.99Å; L102-W295 HydrophobicContact CD1-CZ3 4.41Å; L102-W295 HydrophobicContact CD2-CB 4Å; L102-W295 HydrophobicContact CD2-CD2 3.76Å; L102-W295 HydrophobicContact CD2-CE3 4.25Å; L102-W295 HydrophobicContact CD2-CG 3.62Å; L102-W295 HydrophobicContact CG-CD2 4.35Å; L102-W295 HydrophobicContact CG-CE3 4.5Å; F111-W295 HydrophobicContact CD1-CE3 4.37Å; F111-W295 HydrophobicContact CD1-CZ3 4.11Å; F111-W295 HydrophobicContact CD2-CZ3 4.38Å; F111-W295 AromaticContact CE1-CE3 3.68Å; F111-W295 HydrophobicContact CE1-CE3 3.68Å; F111-W295 AromaticContact CE1-CZ3 3.56Å; F111-W295 HydrophobicContact CE1-CZ3 3.56Å; F111-W295 AromaticContact CE2-CZ3 3.86Å; F111-W295 HydrophobicContact CE2-CZ3 3.86Å; F111-W295 AromaticContact CZ-CE3 3.89Å; F111-W295 HydrophobicContact CZ-CE3 3.89Å; F111-W295 HydrophobicContact CZ-CH2 4.46Å; F111-W295 AromaticContact CZ-CZ3 3.43Å; F111-W295 HydrophobicContact CZ-CZ3 3.43Å; F111-W295 VanDerWaalsContact CZ-CZ3 3.43Å; T115-W295 HydrophobicContact CG2-CH2 4.02Å; T115-W295 HydrophobicContact CG2-CZ3 3.66Å; L119-W295 HydrophobicContact CD1-CH2 3.96Å; L119-W295 HydrophobicContact CD1-CZ3 4.38Å; L119-W295 HydrophobicContact CD2-CH2 4.12Å; L119-W295 HydrophobicContact CG-CH2 4.36Å; M147-W295 HydrophobicContact CE-CZ2 4.13Å; M147-W295 HydrophobicContact CG-CZ2 3.75Å; M147-W295 HydrophobicContact SD-CH2 4.42Å; M147-W295 HydrophobicContact SD-CZ2 3.76Å; Y293-W295 AromaticContact CD1-CH2 3.95Å; Y293-W295 HydrophobicContact CD1-CH2 3.95Å; Y293-W295 HydrophobicContact CD1-CZ2 4.04Å; Y293-W295 AromaticContact CD2-CZ2 3.96Å; Y293-W295 HydrophobicContact CD2-CZ2 3.96Å; Y293-W295 AromaticContact CG-CH2 3.96Å; Y293-W295 HydrophobicContact CG-CH2 3.96Å; Y293-W295 AromaticContact CG-CZ2 3.6Å; Y293-W295 HydrophobicContact CG-CZ2 3.6Å; Y293-W295 PolarHBondContact O-N 3.45Å; W295-Y302 WeakPolarHBondContact O-CD2 3.34Å; W295-T305 HydrophobicContact CB-CG2 3.83Å
296E93.1Very high91.6Very high24 Ų2464.3 Ų64.311%0.11235%0.346CS..SBendtrans-91.3159.7177.8-70.4-178.8154.100111.3R155 P292 Y293 G298 G299 Y302R155-E296 WeakPolarHBondContact CG-OE1 3.48Å; R155-E296 IonicContact CZ-OE2 3.62Å; R155-E296 IonicContact NE-OE1 3.23Å; R155-E296 PolarHBondContact NE-OE1 2.81Å; R155-E296 IonicContact NE-OE2 3.44Å; R155-E296 PolarHBondContact NE-OE2 2.8Å; R155-E296 IonicContact NH2-OE2 3.5Å; R155-E296 PolarHBondContact NH2-OE2 2.89Å; P292-E296 WeakPolarHBondContact CA-OE2 3.31Å; P292-E296 HydrophobicContact CB-CB 3.99Å; Y293-E296 PolarHBondContact N-OE2 3.22Å; Y293-E296 PolarHBondContact O-N 2.77Å; E296-G298 PolarHBondContact O-N 2.77Å; E296-G299 WeakPolarHBondContact O-CA 3.37Å; E296-G299 PolarHBondContact O-N 3.16Å; E296-Y302 VanDerWaalsContact O-CB 3.25Å; E296-Y302 WeakPolarHBondContact O-CB 3.41Å; E296-Y302 WeakPolarHBondContact O-CD2 3.28Å
297E90.1Very high90.7Very high155 Ų15566.1 Ų66.172%0.72436%0.356SS*.THydrogen-bonded Turntrans-55.3131171.2-172171.5-165.900110.6P292 G299 Y302P292-E297 WeakPolarHBondContact CB-O 3.48Å; E297-G299 VanDerWaalsContact C-N 3.27Å; E297-G299 PolarHBondContact O-N 2.86Å; E297-Y302 HydrophobicContact CB-CD1 4.43Å; E297-Y302 HydrophobicContact CB-CE1 4.08Å; E297-Y302 HydrophobicContact CB-CE2 4.21Å; E297-Y302 HydrophobicContact CG-CD1 4.46Å; E297-Y302 HydrophobicContact CG-CE1 4.06Å
298G91.5Very high89.4Confident65 Ų6566.7 Ų66.767%0.6737%0.367SS*.THydrogen-bonded Turntrans83-7.2-170.400000115P292 E296P292-G298 WeakPolarHBondContact CG-O 3.48Å; E296-G298 PolarHBondContact O-N 2.77Å
299G91.7Very high87.7Confident13 Ų1363.5 Ų63.513%0.13436%0.357CS..SBendtrans-79.1148.6173.200000112.9Y293 E296 E297 S301 Y302Y293-G299 WeakPolarHBondContact O-CA 3.33Å; E296-G299 WeakPolarHBondContact O-CA 3.37Å; E296-G299 PolarHBondContact O-N 3.16Å; E297-G299 VanDerWaalsContact C-N 3.27Å; E297-G299 PolarHBondContact O-N 2.86Å; G299-S301 PolarHBondContact O-N 3.27Å; G299-Y302 WeakPolarHBondContact O-CB 3.48Å; G299-Y302 PolarHBondContact O-N 2.93Å; G299-Y302 VanDerWaalsContact O-N 3.11Å
300D90.4Very high85.8Confident109 Ų10964.4 Ų64.458%0.58337%0.372SS*.THydrogen-bonded Turntrans-54.8-25.2-175.8-77.8-9000114.6K112K112-D300 WeakPolarHBondContact CD-OD2 3.28Å; K112-D300 WeakPolarHBondContact CE-OD2 3.44Å; K112-D300 HydrophobicContact CG-CB 4.47Å; K112-D300 WeakPolarHBondContact CG-OD2 3.12Å; K112-D300 IonicContact NZ-OD2 2.77Å; K112-D300 PolarHBondContact NZ-OD2 2.67Å
301S90.9Very high83.9Confident5 Ų564 Ų644%0.03537%0.369CS..THydrogen-bonded Turntrans-1157.2-175.5-52.70000113.5P107 D294 G299 M303 H304 T305P107-S301 WeakPolarHBondContact CD-OG 3.48Å; D294-S301 CarbonylContact O-C 3.5Å; D294-S301 WeakPolarHBondContact O-CA 3.35Å; D294-S301 WeakPolarHBondContact O-CB 3.44Å; D294-S301 PolarHBondContact O-N 3.03Å; G299-S301 PolarHBondContact O-N 3.27Å; S301-M303 PolarHBondContact O-N 3.29Å; S301-H304 WeakPolarHBondContact O-CB 3.18Å; S301-H304 PolarHBondContact O-N 3.03Å; S301-T305 WeakPolarHBondContact O-CG2 3.4Å; S301-T305 PolarHBondContact O-N 2.88Å; S301-T305 PolarHBondContact O-OG1 2.89Å
302Y89.3Confident82.5Confident68 Ų6869.4 Ų69.427%0.26740%0.396SS..Hα-helixtrans-50.3-54.6-174.4-177.8-125000112.8D294 W295 E296 E297 G299 H304 T305 M306D294-Y302 PolarHBondContact O-N 3.33Å; D294-Y302 VanDerWaalsContact O-N 3.07Å; W295-Y302 WeakPolarHBondContact O-CD2 3.34Å; E296-Y302 VanDerWaalsContact O-CB 3.25Å; E296-Y302 WeakPolarHBondContact O-CB 3.41Å; E296-Y302 WeakPolarHBondContact O-CD2 3.28Å; E297-Y302 HydrophobicContact CB-CD1 4.43Å; E297-Y302 HydrophobicContact CB-CE1 4.08Å; E297-Y302 HydrophobicContact CB-CE2 4.21Å; E297-Y302 HydrophobicContact CG-CD1 4.46Å; E297-Y302 HydrophobicContact CG-CE1 4.06Å; G299-Y302 WeakPolarHBondContact O-CB 3.48Å; G299-Y302 PolarHBondContact O-N 2.93Å; G299-Y302 VanDerWaalsContact O-N 3.11Å; Y302-H304 VanDerWaalsContact C-N 3.29Å; Y302-H304 PolarHBondContact O-N 2.84Å; Y302-T305 WeakPolarHBondContact CA-OG1 3.34Å; Y302-T305 PolarHBondContact O-N 2.9Å; Y302-T305 PolarHBondContact O-OG1 2.81Å; Y302-M306 HydrophobicContact CD2-CG 4.17Å; Y302-M306 HydrophobicContact CE1-CG 4.4Å; Y302-M306 HydrophobicContact CE2-CE 4.02Å; Y302-M306 HydrophobicContact CE2-CG 3.78Å; Y302-M306 HydrophobicContact CE2-SD 4.08Å; Y302-M306 WeakPolarHBondContact O-CG 3.32Å; Y302-M306 PolarHBondContact O-N 3.31Å
303M86.9Confident81.8Confident144 Ų14468.4 Ų68.471%0.70939%0.388SS*.Hα-helixtrans-60-37.9-178.7-63.3-59.4-72.100112.6S301 A307S301-M303 PolarHBondContact O-N 3.29Å; M303-A307 WeakPolarHBondContact O-CB 3.5Å; M303-A307 PolarHBondContact O-N 3.2Å
304H85Confident80.9Confident105 Ų10568.1 Ų68.149%0.48639%0.387SS..Hα-helixtrans-69-40.9176.7-6888.4000111.3P107 S301 Y302 A307 T308P107-H304 HydrophobicContact CG-CB 4.25Å; S301-H304 WeakPolarHBondContact O-CB 3.18Å; S301-H304 PolarHBondContact O-N 3.03Å; Y302-H304 VanDerWaalsContact C-N 3.29Å; Y302-H304 PolarHBondContact O-N 2.84Å; H304-A307 PolarHBondContact O-N 2.79Å; H304-T308 WeakPolarHBondContact O-CB 3.48Å; H304-T308 WeakPolarHBondContact O-CG2 3.24Å; H304-T308 PolarHBondContact O-N 3.11Å; H304-T308 VanDerWaalsContact O-N 3.14Å; H304-T308 PolarHBondContact O-OG1 2.76Å
305T82.2Confident80.3Confident0 Ų068 Ų680%039%0.386CS..Hα-helixtrans-70.2-32.2-17958.20000113.1A105 V106 W295 S301 Y302A105-T305 HydrophobicContact CB-CG2 3.94Å; V106-T305 HydrophobicContact CG1-CG2 3.7Å; W295-T305 HydrophobicContact CB-CG2 3.83Å; S301-T305 WeakPolarHBondContact O-CG2 3.4Å; S301-T305 PolarHBondContact O-N 2.88Å; S301-T305 PolarHBondContact O-OG1 2.89Å; Y302-T305 WeakPolarHBondContact CA-OG1 3.34Å; Y302-T305 PolarHBondContact O-N 2.9Å; Y302-T305 PolarHBondContact O-OG1 2.81Å
306M81.2Confident79.9Confident105 Ų10571 Ų7152%0.51740%0.401SS..Hα-helixtrans-69-39.2172.2-71.2-65.4105.800111.9Y302 T308Y302-M306 HydrophobicContact CD2-CG 4.17Å; Y302-M306 HydrophobicContact CE1-CG 4.4Å; Y302-M306 HydrophobicContact CE2-CE 4.02Å; Y302-M306 HydrophobicContact CE2-CG 3.78Å; Y302-M306 HydrophobicContact CE2-SD 4.08Å; Y302-M306 WeakPolarHBondContact O-CG 3.32Å; Y302-M306 PolarHBondContact O-N 3.31Å; M306-T308 VanDerWaalsContact C-N 3.34Å; M306-T308 PolarHBondContact O-N 3.46Å
307A77.9Confident79.5Confident87 Ų8770 Ų7072%0.71940%0.397SS*.Hα-helixtrans-71.9-25.8-179.500000113.8M303 H304M303-A307 WeakPolarHBondContact O-CB 3.5Å; M303-A307 PolarHBondContact O-N 3.2Å; H304-A307 PolarHBondContact O-N 2.79Å
308T69.4Low79.2Confident80 Ų8063 Ų6349%0.49136%0.364SS..THydrogen-bonded Turntrans-100.8-1.3-170.851.10000114.7A105 H304 M306A105-T308 WeakPolarHBondContact CB-OG1 3.43Å; H304-T308 WeakPolarHBondContact O-CB 3.48Å; H304-T308 WeakPolarHBondContact O-CG2 3.24Å; H304-T308 PolarHBondContact O-N 3.11Å; H304-T308 VanDerWaalsContact O-N 3.14Å; H304-T308 PolarHBondContact O-OG1 2.76Å; M306-T308 VanDerWaalsContact C-N 3.34Å; M306-T308 PolarHBondContact O-N 3.46Å
309S60.5Low78.9Confident45 Ų4560.4 Ų60.432%0.31534%0.335SS..  trans-149108.2-179.9-83.20000114.1L311S309-L311 VanDerWaalsContact C-N 3.31Å
310P52.7Low78.5Confident125 Ų12565.5 Ų65.581%0.81235%0.354SS*.  trans-83-7.7152.9-2.621000112.5N312P310-N312 PolarHBondContact O-N 3.25Å
311L52.9Low78.1Confident105 Ų10561.9 Ų61.955%0.5533%0.333SS..  trans-90.9100.5-169.9-75.1161.6000111.8S309 N313S309-L311 VanDerWaalsContact C-N 3.31Å; L311-N313 PolarHBondContact O-N 2.74Å; L311-N313 VanDerWaalsContact O-N 3.11Å
312N65.2Low77.4Confident142 Ų14263 Ų6376%0.75934%0.337SS*.  trans-72.418.8172-86.6-20.6000113.8P310 P314P310-N312 PolarHBondContact O-N 3.25Å; N312-P314 WeakPolarHBondContact O-CD 3.3Å
313N80Confident76.6Confident22 Ų2264.1 Ų64.112%0.11834%0.344CS..  trans-87.4105.6-176.8-176.64.3000111.3L24 L311 Y315 E316L24-N313 PolarHBondContact O-ND2 3.33Å; L311-N313 PolarHBondContact O-N 2.74Å; L311-N313 VanDerWaalsContact O-N 3.11Å; N313-Y315 PolarHBondContact O-N 2.86Å; N313-Y315 PolarHBondContact OD1-N 2.7Å; N313-E316 HydrophobicContact CB-CB 4.31Å
314P78.6Confident75.8Confident1 Ų162.5 Ų62.51%0.00634%0.335CS..THydrogen-bonded Turntrans-73.1-14.7-17736.8-42.3000113.3L94 A95 G96 N98 N312L94-P314 HydrophobicContact CD1-CG 3.96Å; A95-P314 HydrophobicContact CB-CB 4.31Å; A95-P314 WeakPolarHBondContact O-CG 3.29Å; G96-P314 WeakPolarHBondContact O-CB 3.23Å; N98-P314 PolarHBondContact ND2-O 3.21Å; N312-P314 WeakPolarHBondContact O-CD 3.3Å
315Y83.9Confident74.7Confident3 Ų361.2 Ų61.21%0.01233%0.334CS..THydrogen-bonded Turntrans-104.31.3-173.9-55.6-71.5000113.3L24 V32 A46 M92 L94 L160 N313 Q318 I319L24-Y315 HydrophobicContact CB-CD2 4.42Å; L24-Y315 HydrophobicContact CD1-CD2 3.62Å; L24-Y315 HydrophobicContact CD1-CE2 3.82Å; V32-Y315 HydrophobicContact CB-CD2 4.44Å; V32-Y315 HydrophobicContact CG1-CD2 3.65Å; V32-Y315 HydrophobicContact CG1-CE2 3.8Å; V32-Y315 HydrophobicContact CG1-CG 4.19Å; A46-Y315 HydrophobicContact CB-CE2 3.83Å; A46-Y315 WeakPolarHBondContact CB-OH 3.41Å; M92-Y315 HydrophobicContact CE-CE1 4.25Å; L94-Y315 HydrophobicContact CD1-CE2 3.84Å; L160-Y315 HydrophobicContact CD1-CE1 4.17Å; N313-Y315 PolarHBondContact O-N 2.86Å; N313-Y315 PolarHBondContact OD1-N 2.7Å; Y315-Q318 PolarHBondContact O-N 3.18Å; Y315-I319 VanDerWaalsContact O-CB 3.25Å; Y315-I319 WeakPolarHBondContact O-CB 3.11Å; Y315-I319 WeakPolarHBondContact O-CD1 3.48Å; Y315-I319 WeakPolarHBondContact O-CG1 3.45Å; Y315-I319 PolarHBondContact O-N 3.1Å
316E85.3Confident73.5Confident88 Ų8863.2 Ų63.241%0.41134%0.344SS..Hα-helixtrans-58.6-57-171.6-172.4179.7165.700112.7N313 Q318 I319 K320N313-E316 HydrophobicContact CB-CB 4.31Å; E316-Q318 PolarHBondContact O-N 3.23Å; E316-I319 PolarHBondContact O-N 3.4Å; E316-K320 WeakPolarHBondContact O-CB 2.88Å; E316-K320 PolarHBondContact O-N 2.97Å
317S84.4Confident72Confident2 Ų267.6 Ų67.61%0.01436%0.355CS..Hα-helixtrans-64-38.7178.9-85.50000112.9D101 R104 I319 K320 E321D101-S317 WeakPolarHBondContact OD1-CB 3.29Å; D101-S317 PolarHBondContact OD1-OG 3.05Å; R104-S317 PolarHBondContact NH1-OG 3.38Å; S317-I319 PolarHBondContact O-N 2.63Å; S317-K320 PolarHBondContact O-N 2.95Å; S317-E321 VanDerWaalsContact O-CG 3.31Å; S317-E321 WeakPolarHBondContact O-CG 3.44Å; S317-E321 PolarHBondContact O-N 3.48Å
318Q83.3Confident70.5Confident8 Ų869 Ų694%0.03736%0.355CS..Hα-helixtrans-60.7-46.5176.9-176.6-176.771.400111.2N144 D161 Y315 E316 E321 Q322N144-Q318 PolarHBondContact OD1-NE2 2.91Å; D161-Q318 VanDerWaalsContact CB-NE2 3.33Å; Y315-Q318 PolarHBondContact O-N 3.18Å; E316-Q318 PolarHBondContact O-N 3.23Å; Q318-E321 PolarHBondContact O-N 3.01Å; Q318-Q322 WeakPolarHBondContact O-CG 3.44Å; Q318-Q322 PolarHBondContact O-N 3.5Å
319I84.7Confident69.2Low12 Ų1269.7 Ų69.76%0.06236%0.363CS..Hα-helixtrans-65-42.1179.5-73171000111.1E26 V32 Y315 E316 S317 E321 Q322 K323E26-I319 VanDerWaalsContact C-CG2 3.41Å; E26-I319 WeakPolarHBondContact O-CG2 3.18Å; V32-I319 HydrophobicContact CB-CD1 4.29Å; V32-I319 HydrophobicContact CG2-CD1 4.16Å; Y315-I319 VanDerWaalsContact O-CB 3.25Å; Y315-I319 WeakPolarHBondContact O-CB 3.11Å; Y315-I319 WeakPolarHBondContact O-CD1 3.48Å; Y315-I319 WeakPolarHBondContact O-CG1 3.45Å; Y315-I319 PolarHBondContact O-N 3.1Å; E316-I319 PolarHBondContact O-N 3.4Å; S317-I319 PolarHBondContact O-N 2.63Å; I319-E321 PolarHBondContact O-N 2.6Å; I319-Q322 PolarHBondContact O-N 2.83Å; I319-K323 PolarHBondContact O-N 3.21Å
320K84.8Confident67.8Low120 Ų12077.7 Ų77.752%0.52240%0.395SS..Hα-helixtrans-60.5-44.6176.9-171.8176.2179.11770111.8E316 S317 K323 E324E316-K320 WeakPolarHBondContact O-CB 2.88Å; E316-K320 PolarHBondContact O-N 2.97Å; S317-K320 PolarHBondContact O-N 2.95Å; K320-K323 PolarHBondContact O-N 3Å; K320-E324 PolarHBondContact O-N 2.86Å
321E82.2Confident68.6Low33 Ų3375.3 Ų75.315%0.15437%0.374CS..Hα-helixtrans-64.5-39.9177.7-72.9172.5-174.100112.4K141 S143 S317 Q318 I319 K323 E324 V325K141-E321 WeakPolarHBondContact CD-OE2 2.96Å; K141-E321 VanDerWaalsContact CE-OE2 3.28Å; K141-E321 WeakPolarHBondContact CE-OE2 3.31Å; K141-E321 IonicContact NZ-OE2 3.34Å; K141-E321 PolarHBondContact NZ-OE2 3.48Å; S143-E321 PolarHBondContact OG-OE1 2.87Å; S143-E321 PolarHBondContact OG-OE2 2.98Å; S317-E321 VanDerWaalsContact O-CG 3.31Å; S317-E321 WeakPolarHBondContact O-CG 3.44Å; S317-E321 PolarHBondContact O-N 3.48Å; Q318-E321 PolarHBondContact O-N 3.01Å; I319-E321 PolarHBondContact O-N 2.6Å; E321-K323 VanDerWaalsContact C-N 3.27Å; E321-K323 PolarHBondContact O-N 3.13Å; E321-E324 PolarHBondContact O-N 2.89Å; E321-V325 PolarHBondContact O-N 3.09Å
322Q74.6Confident69.4Low27 Ų2773.7 Ų73.713%0.12637%0.365CS..Hα-helixtrans-61.2-35.1176.6-73.8-179.62.200112.3D161 Q318 I319 I326D161-Q322 PolarHBondContact OD2-NE2 3.08Å; Q318-Q322 WeakPolarHBondContact O-CG 3.44Å; Q318-Q322 PolarHBondContact O-N 3.5Å; I319-Q322 PolarHBondContact O-N 2.83Å; Q322-I326 PolarHBondContact O-N 3.11Å
323K73.8Confident69.6Low92 Ų9269.9 Ų69.940%0.434%0.343SS..Hα-helixtrans-66.3-37.7175-68.8-167.2-175-169.30112.9E26 I319 K320 E321 I326 R327E26-K323 WeakPolarHBondContact O-CE 3.45Å; E26-K323 PolarHBondContact O-NZ 3.34Å; I319-K323 PolarHBondContact O-N 3.21Å; K320-K323 PolarHBondContact O-N 3Å; E321-K323 VanDerWaalsContact C-N 3.27Å; E321-K323 PolarHBondContact O-N 3.13Å; K323-I326 PolarHBondContact O-N 2.9Å; K323-R327 PolarHBondContact O-N 3.2Å
324E69.8Low69Low111 Ų11172.8 Ų72.852%0.51936%0.356SS..Hα-helixtrans-67.7-35.5179.8-71.8178.517900112.1K320 E321 R327 T328K320-E324 PolarHBondContact O-N 2.86Å; E321-E324 PolarHBondContact O-N 2.89Å; E324-R327 PolarHBondContact O-N 3.11Å; E324-T328 PolarHBondContact O-N 3.49Å; E324-T328 PolarHBondContact O-OG1 2.63Å
325V62.5Low68.4Low77 Ų7777.3 Ų77.347%0.46738%0.378SS..Hα-helixtrans-64.9-40.2176.4175.60000111.8E321 T328 S329E321-V325 PolarHBondContact O-N 3.09Å; V325-T328 PolarHBondContact O-N 2.88Å; V325-T328 PolarHBondContact O-OG1 2.95Å; V325-S329 PolarHBondContact O-N 2.79Å; V325-S329 PolarHBondContact O-OG 2.89Å
326I57Low67.4Low43 Ų4382.2 Ų82.222%0.22140%0.403CS..Hα-helixtrans-66.5-42.6176.7-62.5-151.6000111.1G28 F29 Q322 K323 T328 S329 Q330G28-I326 WeakPolarHBondContact O-CD1 3.25Å; F29-I326 HydrophobicContact CE2-CD1 4.38Å; F29-I326 HydrophobicContact CZ-CD1 4.27Å; Q322-I326 PolarHBondContact O-N 3.11Å; K323-I326 PolarHBondContact O-N 2.9Å; I326-T328 PolarHBondContact O-N 2.82Å; I326-S329 WeakPolarHBondContact CA-OG 3.46Å; I326-S329 PolarHBondContact O-N 3.13Å; I326-S329 PolarHBondContact O-OG 3.46Å; I326-Q330 PolarHBondContact O-N 3.18Å
327R49.5Very low66.1Low196 Ų19681.8 Ų81.874%0.7440%0.402SS*.Hα-helixtrans-62-29.5178.8-74.8-177.7180176.2-0.9113.8K323 E324K323-R327 PolarHBondContact O-N 3.2Å; E324-R327 PolarHBondContact O-N 3.11Å
328T46Very low64.7Low118 Ų11887.9 Ų87.972%0.72443%0.432SS*.THydrogen-bonded Turntrans-90.9-5-179.444.40000113.7E324 V325 I326E324-T328 PolarHBondContact O-N 3.49Å; E324-T328 PolarHBondContact O-OG1 2.63Å; V325-T328 PolarHBondContact O-N 2.88Å; V325-T328 PolarHBondContact O-OG1 2.95Å; I326-T328 PolarHBondContact O-N 2.82Å
329S41.1Very low63.2Low93 Ų9394.6 Ų94.665%0.6547%0.465SS*.THydrogen-bonded Turntrans-109.21.2178480000114.1V325 I326V325-S329 PolarHBondContact O-N 2.79Å; V325-S329 PolarHBondContact O-OG 2.89Å; I326-S329 WeakPolarHBondContact CA-OG 3.46Å; I326-S329 PolarHBondContact O-N 3.13Å; I326-S329 PolarHBondContact O-OG 3.46Å
330Q32Very low61.2Low213 Ų213102.1 Ų102.1100%0.99550%0.502SS*.  trans-99.90168.1-69-174.9-7.800110.3I326I326-Q330 PolarHBondContact O-N 3.18Å

Retrieved 330 of 330 residues in 869.9 ms (Link to these results)

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