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Cytosolic Fe S cluster assembly factor

Component of the cytosolic iron-sulfur (Fe/S) protein assembly (CIA) machinery. Required for maturation of extramitochondrial Fe-S proteins. The NUBP1-NUBP2 heterotetramer forms a Fe-S scaffold complex, mediating the de novo assembly of an Fe-S cluster and its transfer to target apoproteins. Negatively regulates cilium formation and structure.

AlphaFold DB , UniProt , Accession A0A077ZN77, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 261 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
1M73.7Confident90.1Very high45 Ų4537.9 Ų37.922%0.22220%0.204CC..  024.10-89.7-170.2-74.400115.8N3 V4 A108 L119 F138 L141M1-N3 PolarHBondContact O-N 3.2Å; M1-N3 VanDerWaalsContact O-N 3.09Å; M1-V4 HydrophobicContact CB-CG2 4.47Å; M1-V4 HydrophobicContact CG-CG2 4.21Å; M1-V4 PolarHBondContact O-N 3.26Å; M1-A108 VanDerWaalsContact CE-CA 3.43Å; M1-A108 HydrophobicContact CE-CB 3.34Å; M1-A108 WeakPolarHBondContact CE-O 3.18Å; M1-A108 WeakPolarHBondContact CG-O 3.35Å; M1-L119 HydrophobicContact SD-CD2 3.77Å; M1-F138 HydrophobicContact CE-CD1 3.75Å; M1-F138 HydrophobicContact CE-CE1 3.49Å; M1-F138 VanDerWaalsContact CE-CE1 3.49Å; M1-F138 HydrophobicContact CE-CZ 4.23Å; M1-F138 HydrophobicContact SD-CD1 3.96Å; M1-F138 HydrophobicContact SD-CE1 3.64Å; M1-L141 HydrophobicContact CB-CD1 4.47Å; M1-L141 HydrophobicContact CB-CD2 3.87Å; M1-L141 HydrophobicContact CE-CD1 3.3Å; M1-L141 HydrophobicContact CE-CD2 3.86Å; M1-L141 HydrophobicContact CE-CG 4.12Å; M1-L141 HydrophobicContact SD-CD1 3.4Å; M1-L141 WeakPolarHBondContact SD-CD1 3.19Å; M1-L141 HydrophobicContact SD-CD2 4.4Å
2N74.6Confident90.3Very high158 Ų15834.9 Ų34.985%0.84519%0.188SC*.THydrogen-bonded Turntrans-67.7-13.5-179-66.9-12.3000115
3N88.3Confident90Very high87 Ų8733.3 Ų33.347%0.46518%0.184SC..THydrogen-bonded Turntrans-93.52.4-178.8-64.6-18.5000113.5M1 W113 E114 F115 L116M1-N3 PolarHBondContact O-N 3.2Å; M1-N3 VanDerWaalsContact O-N 3.09Å; N3-W113 PolarHBondContact ND2-O 2.86Å; N3-E114 WeakPolarHBondContact CB-O 3.4Å; N3-F115 WeakPolarHBondContact O-CA 3.44Å; N3-L116 PolarHBondContact O-N 3.22Å
4V91.7Very high89.6Confident15 Ų1537.8 Ų37.89%0.09120%0.201CC..EExtended strand (participates in β ladder)trans-102120.6-179.8-177.40000108.7M1 V7 W113 L116 L119M1-V4 HydrophobicContact CB-CG2 4.47Å; M1-V4 HydrophobicContact CG-CG2 4.21Å; M1-V4 PolarHBondContact O-N 3.26Å; V4-V7 HydrophobicContact CG1-CG2 3.83Å; V4-W113 HydrophobicContact CG2-CB 4.48Å; V4-L116 HydrophobicContact CG2-CB 4.38Å; V4-L116 HydrophobicContact CG2-CD1 4.15Å; V4-L119 HydrophobicContact CG1-CB 3.53Å; V4-L119 HydrophobicContact CG1-CD2 4.45Å; V4-L119 HydrophobicContact CG2-CD2 4.5Å
5N92.2Very high89.4Confident98 Ų9838.7 Ų38.752%0.52422%0.223SC..EExtended strand (participates in β ladder)trans-78.3-50.1-178.3-172.848.5000112.1L116N5-L116 PolarHBondContact N-O 3.32Å
6C93.8Very high89.3Confident12 Ų1240.9 Ų40.98%0.08126%0.257CS..EExtended strand (participates in β ladder)trans-133.4142.6-179.5-173.30000111.8D117 Y118 L119 S143C6-D117 PolarHBondContact N-O 3.06Å; C6-D117 VanDerWaalsContact N-O 3.1Å; C6-Y118 HydrophobicContact CB-CD1 3.78Å; C6-Y118 HydrophobicContact CB-CE1 4.02Å; C6-Y118 CarbonylContact O-C 3.54Å; C6-Y118 VanDerWaalsContact O-CA 3.32Å; C6-Y118 WeakPolarHBondContact O-CA 3.42Å; C6-L119 PolarHBondContact O-N 2.78Å; C6-S143 CarbonylContact C-O 3.56Å; C6-S143 WeakPolarHBondContact CA-O 3.44Å
7V94.7Very high89.3Confident2 Ų238.8 Ų38.81%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-117.5126.7178.3-177.30000109.5V4 L119 V121 F138 L141 S143 S144 S145V4-V7 HydrophobicContact CG1-CG2 3.83Å; V7-L119 WeakPolarHBondContact CA-O 3.28Å; V7-L119 HydrophobicContact CG2-CB 4.35Å; V7-V121 HydrophobicContact CG1-CG2 3.91Å; V7-F138 HydrophobicContact CG1-CB 4.38Å; V7-F138 HydrophobicContact CG1-CD1 4.41Å; V7-L141 HydrophobicContact CG2-CB 4.23Å; V7-L141 HydrophobicContact CG2-CD1 3.81Å; V7-S143 PolarHBondContact N-O 3.3Å; V7-S144 CarbonylContact O-C 3.46Å; V7-S144 WeakPolarHBondContact O-CA 3.38Å; V7-S145 PolarHBondContact O-N 3.26Å
8I96Very high89.5Confident0 Ų037.5 Ų37.50%024%0.239CC..EExtended strand (participates in β ladder)trans-114108.5177.7-49.2-58.1000108.6Y118 L119 I120 V121 S145 I147 L181 L258I8-Y118 HydrophobicContact CG1-CD1 4.45Å; I8-L119 PolarHBondContact N-O 3.34Å; I8-I120 HydrophobicContact CB-CD1 3.72Å; I8-I120 HydrophobicContact CG1-CD1 3.87Å; I8-I120 HydrophobicContact CG2-CD1 4.42Å; I8-I120 WeakPolarHBondContact O-CA 3.32Å; I8-V121 PolarHBondContact O-N 3.28Å; I8-S145 WeakPolarHBondContact CA-O 3.42Å; I8-S145 WeakPolarHBondContact CD1-OG 3.47Å; I8-I147 HydrophobicContact CG2-CD1 3.73Å; I8-I147 HydrophobicContact CG2-CG1 3.92Å; I8-L181 HydrophobicContact CD1-CD1 3.94Å; I8-L258 HydrophobicContact CD1-CD2 3.53Å; I8-L258 HydrophobicContact CG1-CD2 4.24Å
9L95.5Very high89.8Confident0 Ų036.1 Ų36.10%023%0.229CC..EExtended strand (participates in β ladder)trans-79.6116.7173.3-64.9169.7000108.9L11 V121 I134 V135 F138 S145 A146 I147 I178L9-L11 HydrophobicContact CB-CD1 4.34Å; L9-L11 HydrophobicContact CB-CD2 3.87Å; L9-L11 HydrophobicContact CB-CG 4.04Å; L9-V121 HydrophobicContact CD2-CB 3.95Å; L9-V121 HydrophobicContact CD2-CG1 4.07Å; L9-V121 HydrophobicContact CD2-CG2 4.39Å; L9-I134 HydrophobicContact CD2-CG2 4.18Å; L9-V135 HydrophobicContact CD1-CG2 4.1Å; L9-F138 HydrophobicContact CD2-CB 3.96Å; L9-S145 PolarHBondContact N-O 3.07Å; L9-A146 HydrophobicContact CB-CB 4.36Å; L9-A146 CarbonylContact O-C 3.5Å; L9-A146 VanDerWaalsContact O-CA 3.27Å; L9-A146 WeakPolarHBondContact O-CA 3.46Å; L9-I147 PolarHBondContact O-N 2.84Å; L9-I178 HydrophobicContact CD1-CD1 3.55Å; L9-I178 HydrophobicContact CD1-CG1 4.41Å; L9-I178 HydrophobicContact CD1-CG2 4.36Å
10V96.2Very high90.1Very high0 Ų035.1 Ų35.10%022%0.222CC..EExtended strand (participates in β ladder)trans-95.2110.8172.2-167.40000107.5K19 A23 I120 V121 A123 V149V10-K19 HydrophobicContact CB-CG 4.42Å; V10-K19 HydrophobicContact CG1-CG 3.78Å; V10-K19 WeakPolarHBondContact O-CD 3Å; V10-A23 HydrophobicContact CB-CB 4.15Å; V10-A23 HydrophobicContact CG1-CB 4.28Å; V10-A23 HydrophobicContact CG2-CB 3.9Å; V10-I120 HydrophobicContact CG2-CG2 3.63Å; V10-V121 PolarHBondContact N-O 3.21Å; V10-A123 PolarHBondContact O-N 3.26Å; V10-V149 HydrophobicContact CG1-CG2 3.78Å
11L94.6Very high90.3Very high0 Ų034.5 Ų34.50%022%0.219CC..EExtended strand (participates in β ladder)trans-118151.8-169.1-52.1-179.2000111.1L9 A123 V135 A146 I147 L148 V149 E169L9-L11 HydrophobicContact CB-CD1 4.34Å; L9-L11 HydrophobicContact CB-CD2 3.87Å; L9-L11 HydrophobicContact CB-CG 4.04Å; L11-A123 HydrophobicContact CD2-CB 3.4Å; L11-A123 VanDerWaalsContact CD2-CB 3.4Å; L11-V135 HydrophobicContact CD2-CG2 4.39Å; L11-A146 HydrophobicContact CD1-CB 3.87Å; L11-A146 HydrophobicContact CG-CB 4.44Å; L11-I147 PolarHBondContact N-O 2.93Å; L11-L148 HydrophobicContact CB-CD2 3.83Å; L11-L148 HydrophobicContact CD1-CD2 4.19Å; L11-L148 HydrophobicContact CG-CD2 4.44Å; L11-V149 PolarHBondContact O-N 3.19Å; L11-E169 HydrophobicContact CB-CG 4.24Å; L11-E169 WeakPolarHBondContact CB-OE1 3.29Å; L11-E169 VanDerWaalsContact CD1-OE1 3.27Å; L11-E169 WeakPolarHBondContact CD1-OE1 3.26Å
12S92.3Very high91.3Very high2 Ų232.5 Ų32.51%0.01421%0.209CC..  trans-149.5141.8172.465.80000111.8K14 K19 P125 G126 V149S12-K14 VanDerWaalsContact C-N 3.34Å; S12-K14 PolarHBondContact O-N 3Å; S12-K14 PolarHBondContact OG-O 3.45Å; S12-K19 WeakPolarHBondContact OG-CD 3.48Å; S12-P125 CarbonylContact O-C 3.6Å; S12-P125 WeakPolarHBondContact O-CA 3.3Å; S12-G126 PolarHBondContact O-N 3.46Å; S12-V149 VanDerWaalsContact CB-O 3.3Å; S12-V149 WeakPolarHBondContact CB-O 3.41Å
13G86.7Confident92.4Very high14 Ų1425 Ų2514%0.14417%0.169CC..SBendtrans-73.5-23.2178.100000114.3G126G13-G126 VanDerWaalsContact O-CA 3.23Å; G13-G126 WeakPolarHBondContact O-CA 3.48Å; G13-G126 PolarHBondContact O-N 3.1Å
14K84.4Confident92.8Very high96 Ų9620.9 Ų20.942%0.41715%0.147SC..SBendtrans-126.6157.3176.8-66.3-171.4-176.3-178.50111.8S12 V17 P125 A154 D165S12-K14 VanDerWaalsContact C-N 3.34Å; S12-K14 PolarHBondContact O-N 3Å; S12-K14 PolarHBondContact OG-O 3.45Å; K14-V17 HydrophobicContact CB-CG1 4.1Å; K14-P125 VanDerWaalsContact C-CB 3.42Å; K14-P125 WeakPolarHBondContact O-CB 3.39Å; K14-A154 HydrophobicContact CD-CB 4.43Å; K14-D165 WeakPolarHBondContact CE-OD2 3.42Å; K14-D165 HydrophobicContact CG-CB 4.41Å; K14-D165 WeakPolarHBondContact CG-OD2 3.23Å; K14-D165 IonicContact NZ-OD2 2.82Å
15G86.4Confident92.9Very high52 Ų5220.2 Ų20.254%0.53614%0.143SC..THydrogen-bonded Turntrans-74.4156166.800000111.6V17G15-V17 VanDerWaalsContact C-N 3.33Å; G15-V17 PolarHBondContact O-N 3.48Å
16G87.5Confident93.1Very high73 Ų7315.6 Ų15.675%0.75312%0.118SC*.THydrogen-bonded Turntrans78817500000116G18 M187G16-G18 PolarHBondContact O-N 3.4Å; G16-M187 WeakPolarHBondContact O-CE 2.91Å
17V90.2Very high93.2Very high6 Ų615 Ų154%0.03611%0.114CC..SBendtrans-79.71.2179.2-56.10000114.2K14 G15 K19 V149 T151 N186K14-V17 HydrophobicContact CB-CG1 4.1Å; G15-V17 VanDerWaalsContact C-N 3.33Å; G15-V17 PolarHBondContact O-N 3.48Å; V17-K19 HydrophobicContact CG2-CB 4.09Å; V17-V149 HydrophobicContact CG2-CB 4.34Å; V17-V149 HydrophobicContact CG2-CG1 4.04Å; V17-T151 HydrophobicContact CB-CG2 3.81Å; V17-T151 HydrophobicContact CG1-CG2 3.98Å; V17-N186 PolarHBondContact O-ND2 3.12Å
18G92.3Very high93.2Very high15 Ų1515.6 Ų15.616%0.15512%0.117CC..SBendtrans7919.8-175.100000115G16 S20 T21 I22G16-G18 PolarHBondContact O-N 3.4Å; G18-S20 PolarHBondContact O-N 3.42Å; G18-T21 VanDerWaalsContact O-CB 3.29Å; G18-T21 WeakPolarHBondContact O-CB 3.33Å; G18-T21 PolarHBondContact O-N 3.38Å; G18-T21 VanDerWaalsContact O-N 3.16Å; G18-I22 WeakPolarHBondContact O-CG1 3.14Å; G18-I22 PolarHBondContact O-N 3Å
19K94.8Very high93.1Very high11 Ų1117.7 Ų17.75%0.04813%0.125CC..Hα-helixtrans-49.6-52.6176.3-179.9-169.342.4720113V10 S12 V17 T21 I22 A23 D122 A123 V149V10-K19 HydrophobicContact CB-CG 4.42Å; V10-K19 HydrophobicContact CG1-CG 3.78Å; V10-K19 WeakPolarHBondContact O-CD 3Å; S12-K19 WeakPolarHBondContact OG-CD 3.48Å; V17-K19 HydrophobicContact CG2-CB 4.09Å; K19-T21 VanDerWaalsContact C-N 3.29Å; K19-T21 PolarHBondContact O-N 3.29Å; K19-I22 WeakPolarHBondContact O-CB 3.41Å; K19-I22 PolarHBondContact O-N 3.47Å; K19-A23 PolarHBondContact O-N 2.92Å; K19-D122 WeakPolarHBondContact CG-OD1 3.4Å; K19-D122 VanDerWaalsContact NZ-CG 3.26Å; K19-D122 IonicContact NZ-OD1 3.03Å; K19-D122 PolarHBondContact NZ-OD1 3Å; K19-D122 IonicContact NZ-OD2 2.77Å; K19-D122 PolarHBondContact NZ-OD2 3.39Å; K19-A123 VanDerWaalsContact CD-O 3.3Å; K19-A123 WeakPolarHBondContact CD-O 3.25Å; K19-A123 WeakPolarHBondContact CE-O 3.45Å; K19-A123 PolarHBondContact NZ-O 3.45Å; K19-V149 HydrophobicContact CB-CB 4.49Å
20S95.7Very high93.2Very high15 Ų1517.7 Ų17.711%0.10513%0.125CC..Hα-helixtrans-63.5-34-179.5-50.80000112.7G18 A23 T24 S47 D122G18-S20 PolarHBondContact O-N 3.42Å; S20-A23 PolarHBondContact O-N 3.49Å; S20-T24 WeakPolarHBondContact O-CB 3.14Å; S20-T24 VanDerWaalsContact O-CG2 3.32Å; S20-T24 WeakPolarHBondContact O-CG2 3.4Å; S20-T24 PolarHBondContact O-N 3.15Å; S20-T24 PolarHBondContact O-OG1 2.86Å; S20-S47 WeakPolarHBondContact CB-OG 3.24Å; S20-S47 PolarHBondContact OG-OG 3.11Å; S20-D122 WeakPolarHBondContact CA-OD2 3.48Å; S20-D122 WeakPolarHBondContact CB-OD2 3.4Å; S20-D122 PolarHBondContact OG-OD1 3.13Å; S20-D122 PolarHBondContact OG-OD2 3.41Å
21T94.8Very high93.1Very high23 Ų2318.2 Ų18.214%0.14113%0.128CC..Hα-helixtrans-61.4-47.9170.5-63.30000110.9G18 K19 T24 Q25 L228 M232G18-T21 VanDerWaalsContact O-CB 3.29Å; G18-T21 WeakPolarHBondContact O-CB 3.33Å; G18-T21 PolarHBondContact O-N 3.38Å; G18-T21 VanDerWaalsContact O-N 3.16Å; K19-T21 VanDerWaalsContact C-N 3.29Å; K19-T21 PolarHBondContact O-N 3.29Å; T21-T24 PolarHBondContact O-N 3.31Å; T21-T24 PolarHBondContact O-OG1 2.77Å; T21-Q25 HydrophobicContact CG2-CG 4.38Å; T21-Q25 WeakPolarHBondContact O-CB 3.33Å; T21-Q25 VanDerWaalsContact O-CG 3.23Å; T21-Q25 WeakPolarHBondContact O-CG 3.45Å; T21-Q25 PolarHBondContact O-N 2.75Å; T21-L228 HydrophobicContact CG2-CD2 3.96Å; T21-L228 HydrophobicContact CG2-CG 4.46Å; T21-M232 HydrophobicContact CG2-CE 4.22Å; T21-M232 HydrophobicContact CG2-SD 3.29Å; T21-M232 WeakPolarHBondContact CG2-SD 3.47Å; T21-M232 PolarHBondContact OG1-SD 3.31Å
22I95.1Very high93.1Very high4 Ų421.5 Ų21.52%0.02114%0.144CC..Hα-helixtrans-63.6-44.8177.5-59-51.5000111.3G18 K19 T24 Q25 L26 V149 I184 L222G18-I22 WeakPolarHBondContact O-CG1 3.14Å; G18-I22 PolarHBondContact O-N 3Å; K19-I22 WeakPolarHBondContact O-CB 3.41Å; K19-I22 PolarHBondContact O-N 3.47Å; I22-T24 PolarHBondContact O-N 2.87Å; I22-Q25 PolarHBondContact O-N 2.85Å; I22-L26 VanDerWaalsContact O-CB 3.23Å; I22-L26 WeakPolarHBondContact O-CB 3.39Å; I22-L26 PolarHBondContact O-N 3.43Å; I22-V149 HydrophobicContact CB-CG2 4.23Å; I22-V149 HydrophobicContact CG1-CG1 4.12Å; I22-V149 HydrophobicContact CG1-CG2 4.27Å; I22-V149 HydrophobicContact CG2-CG2 4.25Å; I22-I184 HydrophobicContact CG2-CD1 3.71Å; I22-L222 HydrophobicContact CD1-CD1 3.37Å
23A96.9Very high93.2Very high0 Ų026 Ų260%017%0.167CC..Hα-helixtrans-58.7-47.2179.100000112V10 K19 S20 A27 I38 I120 D122V10-A23 HydrophobicContact CB-CB 4.15Å; V10-A23 HydrophobicContact CG1-CB 4.28Å; V10-A23 HydrophobicContact CG2-CB 3.9Å; K19-A23 PolarHBondContact O-N 2.92Å; S20-A23 PolarHBondContact O-N 3.49Å; A23-A27 WeakPolarHBondContact O-CB 3.34Å; A23-A27 PolarHBondContact O-N 2.68Å; A23-I38 HydrophobicContact CB-CD1 4.26Å; A23-I120 HydrophobicContact CB-CG2 4Å; A23-D122 HydrophobicContact CB-CB 4Å
24T96.1Very high93.6Very high0 Ų027.7 Ų27.70%017%0.171CC..Hα-helixtrans-67.3-44.9179.548.80000112.5S20 T21 I22 L26 A27 L28 I38 V48 L51 L52S20-T24 WeakPolarHBondContact O-CB 3.14Å; S20-T24 VanDerWaalsContact O-CG2 3.32Å; S20-T24 WeakPolarHBondContact O-CG2 3.4Å; S20-T24 PolarHBondContact O-N 3.15Å; S20-T24 PolarHBondContact O-OG1 2.86Å; T21-T24 PolarHBondContact O-N 3.31Å; T21-T24 PolarHBondContact O-OG1 2.77Å; I22-T24 PolarHBondContact O-N 2.87Å; T24-L26 VanDerWaalsContact C-N 3.35Å; T24-L26 PolarHBondContact O-N 3.22Å; T24-A27 PolarHBondContact O-N 2.84Å; T24-L28 WeakPolarHBondContact O-CG 3.17Å; T24-L28 PolarHBondContact O-N 3.41Å; T24-I38 HydrophobicContact CG2-CD1 3.74Å; T24-V48 HydrophobicContact CG2-CB 4.32Å; T24-V48 HydrophobicContact CG2-CG1 3.99Å; T24-V48 HydrophobicContact CG2-CG2 4.01Å; T24-L51 HydrophobicContact CG2-CB 4Å; T24-L51 HydrophobicContact CG2-CD1 4.11Å; T24-L52 HydrophobicContact CG2-CD1 4.42Å; T24-L52 HydrophobicContact CG2-CD2 4.18Å; T24-L52 HydrophobicContact CG2-CG 4.08Å
25Q95Very high94.2Very high2 Ų228.2 Ų28.21%0.00917%0.17CC..Hα-helixtrans-67.1-36.6178.8-64.1-55.6-53.700112.2T21 I22 L28 R29 L228 L251T21-Q25 HydrophobicContact CG2-CG 4.38Å; T21-Q25 WeakPolarHBondContact O-CB 3.33Å; T21-Q25 VanDerWaalsContact O-CG 3.23Å; T21-Q25 WeakPolarHBondContact O-CG 3.45Å; T21-Q25 PolarHBondContact O-N 2.75Å; I22-Q25 PolarHBondContact O-N 2.85Å; Q25-L28 PolarHBondContact O-N 2.73Å; Q25-R29 PolarHBondContact O-N 3.32Å; Q25-L228 HydrophobicContact CG-CD1 3.99Å; Q25-L251 HydrophobicContact CB-CD1 3.81Å; Q25-L251 HydrophobicContact CB-CD2 4.34Å
26L95.6Very high94.8Very high0 Ų025.7 Ų25.70%015%0.145CC..Hα-helixtrans-63.4-45.1172.4-179.360.7000111.6I22 T24 L28 R29 L30 I120 I147 L251 I254I22-L26 VanDerWaalsContact O-CB 3.23Å; I22-L26 WeakPolarHBondContact O-CB 3.39Å; I22-L26 PolarHBondContact O-N 3.43Å; T24-L26 VanDerWaalsContact C-N 3.35Å; T24-L26 PolarHBondContact O-N 3.22Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 3.26Å; L26-R29 PolarHBondContact O-N 3.26Å; L26-L30 HydrophobicContact CD1-CD1 3.96Å; L26-L30 HydrophobicContact CD1-CG 4.1Å; L26-L30 HydrophobicContact CG-CD1 3.93Å; L26-L30 HydrophobicContact CG-CG 4.47Å; L26-L30 WeakPolarHBondContact O-CG 3.41Å; L26-L30 PolarHBondContact O-N 3.15Å; L26-I120 HydrophobicContact CD2-CD1 4.19Å; L26-I120 HydrophobicContact CG-CD1 4.44Å; L26-I147 HydrophobicContact CD2-CD1 3.74Å; L26-L251 HydrophobicContact CB-CD2 4.07Å; L26-L251 HydrophobicContact CD1-CD2 4.34Å; L26-I254 HydrophobicContact CD1-CB 4.21Å; L26-I254 HydrophobicContact CD1-CG2 3.67Å; L26-I254 HydrophobicContact CD2-CG2 4.18Å
27A96.8Very high95.2Very high0 Ų022.2 Ų22.20%011%0.109CC..Hα-helixtrans-60.4-43.6176.800000112A23 T24 R29 L30 S31 V36 I38 L77 I120A23-A27 WeakPolarHBondContact O-CB 3.34Å; A23-A27 PolarHBondContact O-N 2.68Å; T24-A27 PolarHBondContact O-N 2.84Å; A27-R29 VanDerWaalsContact C-N 3.35Å; A27-R29 PolarHBondContact O-N 3.4Å; A27-L30 PolarHBondContact O-N 3.12Å; A27-S31 VanDerWaalsContact O-CB 3.26Å; A27-S31 WeakPolarHBondContact O-CB 3.32Å; A27-S31 PolarHBondContact O-N 2.94Å; A27-S31 PolarHBondContact O-OG 3.33Å; A27-V36 HydrophobicContact CB-CG1 4.06Å; A27-I38 HydrophobicContact CB-CB 4.13Å; A27-I38 HydrophobicContact CB-CD1 4.12Å; A27-L77 HydrophobicContact CB-CD1 3.88Å; A27-L77 HydrophobicContact CB-CD2 4.39Å; A27-I120 HydrophobicContact CB-CG1 4.12Å
28L95Very high95.6Very high14 Ų1422 Ų227%0.07311%0.107CC..Hα-helixtrans-63.4-36.5176-74.5166.5000113.1T24 Q25 L26 S31 Q32 L52 L77T24-L28 WeakPolarHBondContact O-CG 3.17Å; T24-L28 PolarHBondContact O-N 3.41Å; Q25-L28 PolarHBondContact O-N 2.73Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 3.26Å; L28-S31 PolarHBondContact O-OG 3.14Å; L28-Q32 PolarHBondContact O-NE2 2.98Å; L28-L52 HydrophobicContact CD1-CD2 3.8Å; L28-L52 HydrophobicContact CD2-CD2 4.16Å; L28-L52 HydrophobicContact CG-CD2 3.97Å; L28-L77 HydrophobicContact CD2-CD2 3.75Å; L28-L77 HydrophobicContact CG-CD2 4.14Å
29R94.2Very high95.8Very high45 Ų4521.2 Ų21.217%0.1710%0.1CC..Hα-helixtrans-69.7-45.3176.3174.859.7-172.982.12.2111.8Q25 L26 A27 S31 Q32 D33 F239 L251Q25-R29 PolarHBondContact O-N 3.32Å; L26-R29 PolarHBondContact O-N 3.26Å; A27-R29 VanDerWaalsContact C-N 3.35Å; A27-R29 PolarHBondContact O-N 3.4Å; R29-S31 VanDerWaalsContact C-N 3.33Å; R29-Q32 VanDerWaalsContact O-CG 3.28Å; R29-Q32 WeakPolarHBondContact O-CG 3.4Å; R29-D33 IonicContact NH1-OD1 3.68Å; R29-F239 HydrophobicContact CB-CD1 3.98Å; R29-F239 HydrophobicContact CB-CE1 4.26Å; R29-L251 HydrophobicContact CB-CB 4.06Å; R29-L251 HydrophobicContact CB-CD1 4.35Å; R29-L251 HydrophobicContact CG-CB 3.94Å
30L95.8Very high95.9Very high0 Ų020.7 Ų20.70%010%0.097CC..Hα-helixtrans-69.7-32.2180-68.6171.6000111.6L26 A27 Q32 K34 V36 Y118 I120 S255 L258L26-L30 HydrophobicContact CD1-CD1 3.96Å; L26-L30 HydrophobicContact CD1-CG 4.1Å; L26-L30 HydrophobicContact CG-CD1 3.93Å; L26-L30 HydrophobicContact CG-CG 4.47Å; L26-L30 WeakPolarHBondContact O-CG 3.41Å; L26-L30 PolarHBondContact O-N 3.15Å; A27-L30 PolarHBondContact O-N 3.12Å; L30-Q32 PolarHBondContact O-N 2.86Å; L30-Q32 VanDerWaalsContact O-N 3.09Å; L30-K34 VanDerWaalsContact O-CB 3.23Å; L30-K34 WeakPolarHBondContact O-CB 3.28Å; L30-K34 WeakPolarHBondContact O-CG 3.35Å; L30-K34 PolarHBondContact O-N 3.19Å; L30-V36 HydrophobicContact CB-CG2 3.59Å; L30-Y118 HydrophobicContact CD1-CD2 4.18Å; L30-Y118 HydrophobicContact CD1-CG 4.25Å; L30-Y118 HydrophobicContact CD2-CD2 4.37Å; L30-Y118 HydrophobicContact CD2-CE2 4.26Å; L30-I120 HydrophobicContact CD1-CD1 3.99Å; L30-S255 WeakPolarHBondContact CD2-OG 3.46Å; L30-L258 HydrophobicContact CD1-CD1 3.93Å; L30-L258 HydrophobicContact CD2-CD1 4.18Å
31S95.8Very high95.7Very high10 Ų1020 Ų207%0.079%0.093CC..THydrogen-bonded Turntrans-72.80.1-177.973.70000114.6A27 L28 R29 D33 K34 R76A27-S31 VanDerWaalsContact O-CB 3.26Å; A27-S31 WeakPolarHBondContact O-CB 3.32Å; A27-S31 PolarHBondContact O-N 2.94Å; A27-S31 PolarHBondContact O-OG 3.33Å; L28-S31 PolarHBondContact O-OG 3.14Å; R29-S31 VanDerWaalsContact C-N 3.33Å; S31-D33 VanDerWaalsContact C-N 3.32Å; S31-K34 WeakPolarHBondContact CA-O 3.33Å; S31-R76 WeakPolarHBondContact O-CB 3.37Å; S31-R76 WeakPolarHBondContact O-CD 3.46Å
32Q93.3Very high95.5Very high70 Ų7020.3 Ų20.333%0.3279%0.093SC..THydrogen-bonded Turntrans-67-38.9176.5-63.7-55.8-55.600111.9L28 R29 L30 R76 F239L28-Q32 PolarHBondContact O-NE2 2.98Å; R29-Q32 VanDerWaalsContact O-CG 3.28Å; R29-Q32 WeakPolarHBondContact O-CG 3.4Å; L30-Q32 PolarHBondContact O-N 2.86Å; L30-Q32 VanDerWaalsContact O-N 3.09Å; Q32-R76 PolarHBondContact O-NH1 3.32Å; Q32-F239 HydrophobicContact CG-CE1 3.72Å; Q32-F239 HydrophobicContact CG-CE2 4.25Å; Q32-F239 HydrophobicContact CG-CZ 3.25Å
33D94.2Very high95.3Very high95 Ų9520.3 Ų20.351%0.5089%0.093SC..THydrogen-bonded Turntrans-132.6-8.6-173.260.3-36.6000113.1R29 S31R29-D33 IonicContact NH1-OD1 3.68Å; S31-D33 VanDerWaalsContact C-N 3.32Å
34K96.2Very high94.7Very high50 Ų5023.8 Ų23.822%0.21712%0.117CC..SBendtrans-117.6163.6178.1-47.8-67.9-178.9145.90112.1L30 S31 V36 D117 Y118 D259L30-K34 VanDerWaalsContact O-CB 3.23Å; L30-K34 WeakPolarHBondContact O-CB 3.28Å; L30-K34 WeakPolarHBondContact O-CG 3.35Å; L30-K34 PolarHBondContact O-N 3.19Å; S31-K34 WeakPolarHBondContact CA-O 3.33Å; K34-V36 HydrophobicContact CB-CG2 4.12Å; K34-D117 HydrophobicContact CB-CB 4.04Å; K34-Y118 HydrophobicContact CB-CD2 4.41Å; K34-Y118 HydrophobicContact CG-CD2 4.46Å; K34-Y118 HydrophobicContact CG-CE2 4.16Å; K34-D259 WeakPolarHBondContact CE-OD1 3.48Å; K34-D259 IonicContact NZ-OD1 3.39Å; K34-D259 PolarHBondContact NZ-OD1 3.16Å
35R97.1Very high94.3Very high107 Ų10725.7 Ų25.740%0.40414%0.137SC..  trans-89.6117.1167.2-70.5178173.1-108.53.4109.1E114 F115 L116 D117 Y118R35-E114 IonicContact NH1-OE2 3.43Å; R35-E114 PolarHBondContact NH1-OE2 3.06Å; R35-F115 WeakPolarHBondContact CB-O 3.2Å; R35-F115 VanDerWaalsContact CD-O 3.25Å; R35-F115 WeakPolarHBondContact CD-O 3.42Å; R35-L116 HydrophobicContact CB-CD2 4.37Å; R35-L116 CarbonylContact O-C 3.52Å; R35-L116 WeakPolarHBondContact O-CA 3.32Å; R35-D117 PolarHBondContact N-OD2 3.27Å; R35-D117 PolarHBondContact O-N 3.18Å; R35-Y118 PolarHBondContact O-N 2.97Å
36V97.7Very high94Very high0 Ų027.5 Ų27.50%015%0.149CC..EExtended strand (participates in β ladder)trans-124.9135.6-170.7-176.50000110A27 L30 K34 R76 L77 A78 Y118 I120A27-V36 HydrophobicContact CB-CG1 4.06Å; L30-V36 HydrophobicContact CB-CG2 3.59Å; K34-V36 HydrophobicContact CB-CG2 4.12Å; V36-R76 PolarHBondContact N-O 2.89Å; V36-L77 HydrophobicContact CB-CD1 4.12Å; V36-L77 HydrophobicContact CG1-CD1 4Å; V36-L77 WeakPolarHBondContact O-CA 3.21Å; V36-A78 PolarHBondContact O-N 3.28Å; V36-Y118 CarbonylContact C-O 3.57Å; V36-Y118 WeakPolarHBondContact CA-O 3.36Å; V36-I120 HydrophobicContact CG1-CG1 4.14Å
37G97.6Very high93.9Very high0 Ų029.2 Ų29.20%016%0.16CC..EExtended strand (participates in β ladder)trans-103.3145.6163.700000109.9A78 Y118 L119 I120G37-A78 CarbonylContact C-O 3.6Å; G37-A78 VanDerWaalsContact CA-O 3.28Å; G37-A78 WeakPolarHBondContact CA-O 3.46Å; G37-Y118 PolarHBondContact N-O 2.79Å; G37-L119 CarbonylContact O-C 3.53Å; G37-L119 WeakPolarHBondContact O-CA 3.27Å; G37-I120 PolarHBondContact O-N 3.25Å
38I97.9Very high93.8Very high0 Ų029.2 Ų29.20%016%0.16CC..EExtended strand (participates in β ladder)trans-123129.5162-174.2169.8000109.4A23 T24 A27 V48 L52 L77 A78 V79 M80 I120A23-I38 HydrophobicContact CB-CD1 4.26Å; T24-I38 HydrophobicContact CG2-CD1 3.74Å; A27-I38 HydrophobicContact CB-CB 4.13Å; A27-I38 HydrophobicContact CB-CD1 4.12Å; I38-V48 HydrophobicContact CD1-CG1 4.05Å; I38-V48 HydrophobicContact CD1-CG2 4.24Å; I38-V48 HydrophobicContact CG1-CG1 4.38Å; I38-V48 HydrophobicContact CG2-CG1 4.2Å; I38-L52 HydrophobicContact CG2-CD1 4.12Å; I38-L77 HydrophobicContact CB-CD1 4.45Å; I38-L77 HydrophobicContact CG2-CD1 4Å; I38-A78 PolarHBondContact N-O 3.27Å; I38-V79 HydrophobicContact CG2-CB 4.07Å; I38-V79 HydrophobicContact CG2-CG1 3.85Å; I38-V79 HydrophobicContact CG2-CG2 3.81Å; I38-V79 WeakPolarHBondContact O-CA 3.44Å; I38-M80 PolarHBondContact O-N 2.81Å; I38-I120 CarbonylContact C-O 3.53Å; I38-I120 VanDerWaalsContact CA-O 3.27Å; I38-I120 WeakPolarHBondContact CA-O 3.35Å; I38-I120 HydrophobicContact CB-CB 4.48Å; I38-I120 HydrophobicContact CG1-CB 4.32Å
39L97Very high93.8Very high0 Ų029 Ų290%016%0.16CC..EExtended strand (participates in β ladder)trans-113.1117.2174.717664.9000109.3A41 M80 F107 W113 L119 I120 V121 D122 F138L39-A41 HydrophobicContact CG-CB 4.47Å; L39-A41 PolarHBondContact O-N 3.25Å; L39-M80 CarbonylContact C-O 3.4Å; L39-M80 WeakPolarHBondContact CA-O 3.42Å; L39-M80 HydrophobicContact CD1-CB 3.8Å; L39-M80 HydrophobicContact CD1-CG 3.83Å; L39-F107 HydrophobicContact CD1-CB 3.91Å; L39-F107 HydrophobicContact CD1-CD1 4.3Å; L39-F107 HydrophobicContact CD1-CD2 3.77Å; L39-F107 HydrophobicContact CD1-CE2 4.28Å; L39-F107 HydrophobicContact CD1-CG 3.77Å; L39-F107 HydrophobicContact CD2-CB 4.01Å; L39-W113 HydrophobicContact CB-CZ2 4.49Å; L39-L119 HydrophobicContact CB-CD1 4.31Å; L39-I120 PolarHBondContact N-O 2.96Å; L39-V121 HydrophobicContact CB-CG2 4.42Å; L39-V121 HydrophobicContact CD2-CG1 4.38Å; L39-D122 PolarHBondContact O-N 3.48Å; L39-F138 HydrophobicContact CD2-CE1 3.75Å; L39-F138 HydrophobicContact CD2-CE2 3.86Å; L39-F138 HydrophobicContact CD2-CZ 3.17Å
40D95.6Very high93.7Very high0 Ų033.3 Ų33.30%018%0.18CC..EExtended strand (participates in β ladder)trans-82.2104.1167-170.4-12.6000109.3D42 P46 S47 V48 M80 S81D40-D42 PolarHBondContact OD1-N 2.83Å; D40-P46 WeakPolarHBondContact OD2-CA 3.35Å; D40-P46 WeakPolarHBondContact OD2-CB 3.5Å; D40-S47 PolarHBondContact OD2-N 3.48Å; D40-V48 HydrophobicContact CB-CB 3.76Å; D40-V48 HydrophobicContact CB-CG2 3.62Å; D40-V48 WeakPolarHBondContact OD2-CB 3.46Å; D40-V48 PolarHBondContact OD2-N 2.94Å; D40-V48 VanDerWaalsContact OD2-N 3.11Å; D40-M80 PolarHBondContact N-O 3.3Å; D40-S81 WeakPolarHBondContact CB-OG 3.41Å; D40-S81 PolarHBondContact OD2-OG 2.64Å; D40-S81 VanDerWaalsContact OD2-OG 3.14Å
41A92.6Very high93.6Very high1 Ų134.5 Ų34.51%0.00819%0.186CC..  trans-100.74-179.500000112.1L39 L43 V121 D122 I134L39-A41 HydrophobicContact CG-CB 4.47Å; L39-A41 PolarHBondContact O-N 3.25Å; A41-L43 VanDerWaalsContact C-N 3.3Å; A41-L43 PolarHBondContact O-N 3.22Å; A41-V121 HydrophobicContact CB-CG1 4.15Å; A41-D122 WeakPolarHBondContact CA-O 3.4Å; A41-D122 WeakPolarHBondContact CB-O 3.47Å; A41-D122 PolarHBondContact N-O 3.4Å; A41-I134 HydrophobicContact CB-CD1 3.37Å; A41-I134 HydrophobicContact CB-CG1 3.97Å
42D90.8Very high93.5Very high29 Ų2934.5 Ų34.516%0.15519%0.185CC..  trans-79.380.2170.3-165.6-17.1000110.3D40 C44 G45D40-D42 PolarHBondContact OD1-N 2.83Å; D42-C44 PolarHBondContact O-N 3.45Å; D42-C44 VanDerWaalsContact O-N 3.1Å; D42-C44 PolarHBondContact OD1-N 2.74Å; D42-G45 CarbonylContact O-C 3.5Å; D42-G45 PolarHBondContact O-N 3.29Å; D42-G45 PolarHBondContact OD1-N 3.11Å
43L89.5Confident93.5Very high3 Ų333.3 Ų33.32%0.01619%0.192CC..THydrogen-bonded Turntrans-60.2-23.6-175.4-62.8179.5000114.1A41 I82 V93 K100 M103 I104 F107A41-L43 VanDerWaalsContact C-N 3.3Å; A41-L43 PolarHBondContact O-N 3.22Å; L43-I82 HydrophobicContact CD2-CB 3.81Å; L43-I82 HydrophobicContact CD2-CD1 4.43Å; L43-I82 HydrophobicContact CD2-CG1 4.21Å; L43-I82 HydrophobicContact CD2-CG2 4.1Å; L43-V93 VanDerWaalsContact O-CB 3.26Å; L43-V93 WeakPolarHBondContact O-CB 3.28Å; L43-V93 VanDerWaalsContact O-CG2 3.29Å; L43-V93 WeakPolarHBondContact O-CG2 3.27Å; L43-K100 HydrophobicContact CD1-CB 3.72Å; L43-K100 HydrophobicContact CD1-CG 4.02Å; L43-M103 HydrophobicContact CD1-CB 4.22Å; L43-M103 HydrophobicContact CD1-CG 4.36Å; L43-M103 HydrophobicContact CD2-CG 3.87Å; L43-I104 HydrophobicContact CD1-CG1 4.26Å; L43-F107 HydrophobicContact CD2-CE2 3.57Å; L43-F107 HydrophobicContact CD2-CZ 4.15Å
44C85.4Confident93.4Very high74 Ų7429.1 Ų29.150%0.517%0.169SC..THydrogen-bonded Turntrans-91-23.2-174.3-59.30000112.5D42 K100D42-C44 PolarHBondContact O-N 3.45Å; D42-C44 VanDerWaalsContact O-N 3.1Å; D42-C44 PolarHBondContact OD1-N 2.74Å; C44-K100 PolarHBondContact SG-NZ 3.46Å
45G86.5Confident93.1Very high40 Ų4031.4 Ų31.441%0.41218%0.181SC..SBendtrans-146.463-179.500000111.4D42 S47D42-G45 CarbonylContact O-C 3.5Å; D42-G45 PolarHBondContact O-N 3.29Å; D42-G45 PolarHBondContact OD1-N 3.11Å; G45-S47 PolarHBondContact O-N 3.29Å
46P90.3Very high92.7Very high40 Ų4029.5 Ų29.526%0.2620%0.195SC..  trans-61123.6-179.726.9-35.6000109.9D40 S81 I82D40-P46 WeakPolarHBondContact OD2-CA 3.35Å; D40-P46 WeakPolarHBondContact OD2-CB 3.5Å; P46-S81 WeakPolarHBondContact CB-OG 3.46Å; P46-I82 HydrophobicContact CB-CG2 3.82Å; P46-I82 HydrophobicContact CG-CG2 3.76Å
47S92.4Very high92.4Very high35 Ų3535 Ų3525%0.24522%0.218CC..  trans-121.5-20.5-175.564.90000113S20 D40 G45 K50 L51S20-S47 WeakPolarHBondContact CB-OG 3.24Å; S20-S47 PolarHBondContact OG-OG 3.11Å; D40-S47 PolarHBondContact OD2-N 3.48Å; G45-S47 PolarHBondContact O-N 3.29Å; S47-K50 PolarHBondContact O-N 3.48Å; S47-K50 VanDerWaalsContact O-N 3.13Å; S47-L51 WeakPolarHBondContact O-CG 3.35Å; S47-L51 PolarHBondContact O-N 3.36Å
48V95.6Very high92Very high0 Ų041 Ų410%025%0.246CC..Hα-helixtrans-58.9-42.8-176.8172.80000112.9T24 I38 D40 K50 L51 L52 V79 D122T24-V48 HydrophobicContact CG2-CB 4.32Å; T24-V48 HydrophobicContact CG2-CG1 3.99Å; T24-V48 HydrophobicContact CG2-CG2 4.01Å; I38-V48 HydrophobicContact CD1-CG1 4.05Å; I38-V48 HydrophobicContact CD1-CG2 4.24Å; I38-V48 HydrophobicContact CG1-CG1 4.38Å; I38-V48 HydrophobicContact CG2-CG1 4.2Å; D40-V48 HydrophobicContact CB-CB 3.76Å; D40-V48 HydrophobicContact CB-CG2 3.62Å; D40-V48 WeakPolarHBondContact OD2-CB 3.46Å; D40-V48 PolarHBondContact OD2-N 2.94Å; D40-V48 VanDerWaalsContact OD2-N 3.11Å; V48-K50 VanDerWaalsContact C-N 3.27Å; V48-K50 PolarHBondContact O-N 2.86Å; V48-L51 PolarHBondContact O-N 3.3Å; V48-L52 HydrophobicContact CG1-CD1 3.7Å; V48-L52 HydrophobicContact CG1-CG 4.3Å; V48-L52 PolarHBondContact O-N 3.14Å; V48-V79 HydrophobicContact CG1-CG1 3.7Å; V48-D122 HydrophobicContact CG2-CB 4.44Å
49P94Very high91.7Very high10 Ų1041.9 Ų41.97%0.06525%0.252CS..Hα-helixtrans-54.7-42.7175.7-29.838.4000113.1G53 L54 F84P49-G53 PolarHBondContact O-N 2.83Å; P49-L54 WeakPolarHBondContact O-CA 3.35Å; P49-L54 PolarHBondContact O-N 3.25Å; P49-F84 HydrophobicContact CB-CD1 4.28Å; P49-F84 HydrophobicContact CB-CE1 3.58Å; P49-F84 HydrophobicContact CB-CZ 4Å; P49-F84 HydrophobicContact CG-CD1 4.16Å; P49-F84 HydrophobicContact CG-CE1 3.7Å; P49-F84 HydrophobicContact CG-CE2 4.42Å; P49-F84 HydrophobicContact CG-CZ 3.84Å
50K92.5Very high91.3Very high135 Ų13548.3 Ų48.359%0.58728%0.282SS*.Hα-helixtrans-70.4-46.5178.5-176.7175.2179.9178.10111.8S47 V48 L52 G53 Q55S47-K50 PolarHBondContact O-N 3.48Å; S47-K50 VanDerWaalsContact O-N 3.13Å; V48-K50 VanDerWaalsContact C-N 3.27Å; V48-K50 PolarHBondContact O-N 2.86Å; K50-L52 PolarHBondContact O-N 3.25Å; K50-G53 PolarHBondContact O-N 3.43Å; K50-Q55 HydrophobicContact CB-CG 4.3Å
51L93.8Very high91.1Very high25 Ų2554.7 Ų54.713%0.13131%0.311CS..Hα-helixtrans-62.3-22.5-179.6-69.2174.6000113.9T24 S47 V48 M232T24-L51 HydrophobicContact CG2-CB 4Å; T24-L51 HydrophobicContact CG2-CD1 4.11Å; S47-L51 WeakPolarHBondContact O-CG 3.35Å; S47-L51 PolarHBondContact O-N 3.36Å; V48-L51 PolarHBondContact O-N 3.3Å; L51-M232 HydrophobicContact CD2-CB 4.03Å; L51-M232 HydrophobicContact CD2-CE 4.1Å; L51-M232 HydrophobicContact CD2-CG 4.28Å; L51-M232 HydrophobicContact CD2-SD 3.66Å
52L94.4Very high90.8Very high10 Ų1056.8 Ų56.85%0.05233%0.326CS..THydrogen-bonded Turntrans-103.65.7177.1-64178.9000113.3T24 L28 I38 V48 K50 L54 V79T24-L52 HydrophobicContact CG2-CD1 4.42Å; T24-L52 HydrophobicContact CG2-CD2 4.18Å; T24-L52 HydrophobicContact CG2-CG 4.08Å; L28-L52 HydrophobicContact CD1-CD2 3.8Å; L28-L52 HydrophobicContact CD2-CD2 4.16Å; L28-L52 HydrophobicContact CG-CD2 3.97Å; I38-L52 HydrophobicContact CG2-CD1 4.12Å; V48-L52 HydrophobicContact CG1-CD1 3.7Å; V48-L52 HydrophobicContact CG1-CG 4.3Å; V48-L52 PolarHBondContact O-N 3.14Å; K50-L52 PolarHBondContact O-N 3.25Å; L52-L54 VanDerWaalsContact C-N 3.25Å; L52-L54 HydrophobicContact CB-CD1 4.01Å; L52-L54 HydrophobicContact CB-CG 4.03Å; L52-L54 HydrophobicContact CD1-CD1 4.4Å; L52-L54 PolarHBondContact O-N 3.1Å; L52-V79 HydrophobicContact CD1-CB 4.48Å; L52-V79 HydrophobicContact CD1-CG1 3.92Å; L52-V79 HydrophobicContact CD1-CG2 3.64Å
53G91.9Very high90.6Very high45 Ų4562 Ų6246%0.46437%0.365SS..THydrogen-bonded Turntrans64.127.9-178.200000113.9P49 K50P49-G53 PolarHBondContact O-N 2.83Å; K50-G53 PolarHBondContact O-N 3.43Å
54L92.7Very high90.3Very high8 Ų864.6 Ų64.64%0.04239%0.392CS..  trans-102.220-177.7-63.3178.1000113.3P49 L52 K57 V69 T71 V79 F84P49-L54 WeakPolarHBondContact O-CA 3.35Å; P49-L54 PolarHBondContact O-N 3.25Å; L52-L54 VanDerWaalsContact C-N 3.25Å; L52-L54 HydrophobicContact CB-CD1 4.01Å; L52-L54 HydrophobicContact CB-CG 4.03Å; L52-L54 HydrophobicContact CD1-CD1 4.4Å; L52-L54 PolarHBondContact O-N 3.1Å; L54-K57 HydrophobicContact CB-CG 4.2Å; L54-K57 HydrophobicContact CD2-CG 4.35Å; L54-K57 VanDerWaalsContact O-CB 3.29Å; L54-K57 WeakPolarHBondContact O-CB 3.29Å; L54-K57 VanDerWaalsContact O-CG 3.23Å; L54-K57 WeakPolarHBondContact O-CG 3.43Å; L54-K57 PolarHBondContact O-N 3.01Å; L54-V69 HydrophobicContact CD1-CG1 3.99Å; L54-V69 HydrophobicContact CD2-CG1 4.2Å; L54-T71 HydrophobicContact CD1-CG2 4.15Å; L54-V79 HydrophobicContact CD1-CB 3.94Å; L54-V79 HydrophobicContact CD1-CG1 4.1Å; L54-V79 HydrophobicContact CD1-CG2 3.62Å; L54-F84 HydrophobicContact CB-CE1 4.02Å; L54-F84 HydrophobicContact CB-CZ 4.09Å; L54-F84 HydrophobicContact CD1-CZ 4.2Å
55Q89.3Confident90.6Very high98 Ų9861.6 Ų61.646%0.45837%0.373SS..THydrogen-bonded Turntrans-57.9144.4170.7-63.5-175.5-86.700110.6K50 K57 E89K50-Q55 HydrophobicContact CB-CG 4.3Å; Q55-K57 PolarHBondContact O-N 3.17Å; Q55-E89 VanDerWaalsContact C-OE1 3.31Å; Q55-E89 WeakPolarHBondContact CA-OE1 3.42Å; Q55-E89 VanDerWaalsContact CB-OE1 3.28Å; Q55-E89 WeakPolarHBondContact CB-OE1 3.23Å; Q55-E89 PolarHBondContact NE2-OE2 2.71Å
56G88.6Confident90.9Very high67 Ų6761.3 Ų61.369%0.69136%0.36SS*.THydrogen-bonded Turntrans78.5-3.2-177.100000114.2E89G56-E89 PolarHBondContact N-OE1 2.91Å
57K91.9Very high91.2Very high115 Ų11562 Ų6250%0.536%0.363SS..  trans-80.6147.3174.5-58-64.3-176.6-178.90110.3L54 Q55 V69 F84L54-K57 HydrophobicContact CB-CG 4.2Å; L54-K57 HydrophobicContact CD2-CG 4.35Å; L54-K57 VanDerWaalsContact O-CB 3.29Å; L54-K57 WeakPolarHBondContact O-CB 3.29Å; L54-K57 VanDerWaalsContact O-CG 3.23Å; L54-K57 WeakPolarHBondContact O-CG 3.43Å; L54-K57 PolarHBondContact O-N 3.01Å; Q55-K57 PolarHBondContact O-N 3.17Å; K57-V69 HydrophobicContact CB-CG1 3.81Å; K57-V69 HydrophobicContact CB-CG2 4.08Å; K57-V69 HydrophobicContact CG-CG1 3.94Å; K57-F84 HydrophobicContact CB-CD1 4.31Å; K57-F84 HydrophobicContact CB-CE1 4.2Å; K57-F84 WeakPolarHBondContact O-CD1 2.97Å
58Q90.4Very high91.3Very high126 Ų12660.6 Ų60.659%0.58935%0.353SS*.  trans-125.4149.1175-69.6-176.7-10.500109.6
59V91Very high91.3Very high19 Ų1961.2 Ų61.212%0.11536%0.357CS..PPolyproline II helixtrans-78.3140.4171.6-70.50000109.9V69 M80 F84 L85V59-V69 HydrophobicContact CG1-CG2 4.09Å; V59-M80 HydrophobicContact CG1-CE 4.18Å; V59-M80 HydrophobicContact CG1-SD 3.61Å; V59-F84 HydrophobicContact CB-CB 4.45Å; V59-F84 HydrophobicContact CG1-CB 3.67Å; V59-F84 HydrophobicContact CG1-CD2 3.94Å; V59-F84 HydrophobicContact CG1-CG 4.2Å; V59-F84 HydrophobicContact CG2-CB 4.31Å; V59-L85 HydrophobicContact CG2-CD2 3.21Å; V59-L85 HydrophobicContact CG2-CG 3.71Å
60H89.1Confident91.4Very high135 Ų13562.8 Ų62.863%0.62536%0.362SS*.EExtended strand (participates in β ladder)trans-97.8130.9178.1-66-64.3000110.4V67H60-V67 PolarHBondContact O-N 3.04Å
61Q89.5Confident91.4Very high134 Ų13458.3 Ų58.363%0.62635%0.346SS*.EExtended strand (participates in β ladder)trans-76.4123.5170.2-17569.651.700109.6
62S88.3Confident91.3Very high44 Ų4461 Ų6131%0.30836%0.36SS..EExtended strand (participates in β ladder)trans-114.3173.8169.977.30000110.9G64 G65S62-G64 PolarHBondContact O-N 2.89Å; S62-G64 PolarHBondContact OG-N 3.28Å; S62-G65 WeakPolarHBondContact CA-O 3.37Å; S62-G65 WeakPolarHBondContact CB-O 3.16Å; S62-G65 PolarHBondContact N-O 3.04Å; S62-G65 PolarHBondContact O-N 3.28Å; S62-G65 PolarHBondContact OG-N 2.98Å; S62-G65 PolarHBondContact OG-O 3.01Å
63S85.6Confident91.2Very high140 Ų14066.4 Ų66.498%0.97940%0.399SS*.THydrogen-bonded Turntrans-61.8-25.6172.356.20000113.1
64G83.8Confident91.3Very high57 Ų5767 Ų6759%0.58840%0.396SS*.THydrogen-bonded Turntrans-92.12178.500000114.5S62S62-G64 PolarHBondContact O-N 2.89Å; S62-G64 PolarHBondContact OG-N 3.28Å
65G91.1Very high91.3Very high10 Ų1071.6 Ų71.610%0.10342%0.416CS..EExtended strand (participates in β ladder)trans116.8-164.7-174.600000113.6S62 S110S62-G65 WeakPolarHBondContact CA-O 3.37Å; S62-G65 WeakPolarHBondContact CB-O 3.16Å; S62-G65 PolarHBondContact N-O 3.04Å; S62-G65 PolarHBondContact O-N 3.28Å; S62-G65 PolarHBondContact OG-N 2.98Å; S62-G65 PolarHBondContact OG-O 3.01Å; G65-S110 CarbonylContact C-O 3.45Å; G65-S110 WeakPolarHBondContact CA-O 3.33Å
66W93.9Very high91.6Very high35 Ų3572.6 Ų72.613%0.13342%0.415CS..EExtended strand (participates in β ladder)trans-73.2123.7176.8-61.7-41.6000111M80 L85 M103 D106 F107 S110 V111 A112W66-M80 HydrophobicContact CB-CE 3.92Å; W66-M80 HydrophobicContact CD2-CE 3.87Å; W66-M80 HydrophobicContact CE3-CE 3.46Å; W66-M80 VanDerWaalsContact CE3-CE 3.46Å; W66-M80 HydrophobicContact CG-CE 4.09Å; W66-M80 HydrophobicContact CZ3-CE 4.21Å; W66-L85 HydrophobicContact CH2-CD1 4.5Å; W66-M103 HydrophobicContact CH2-SD 4.06Å; W66-M103 HydrophobicContact CZ3-SD 4.41Å; W66-D106 HydrophobicContact CH2-CB 3.5Å; W66-D106 VanDerWaalsContact CH2-CB 3.5Å; W66-D106 HydrophobicContact CZ3-CB 3.58Å; W66-F107 HydrophobicContact CE3-CD1 4.42Å; W66-F107 AromaticContact CZ3-CD1 3.98Å; W66-F107 HydrophobicContact CZ3-CD1 3.98Å; W66-F107 HydrophobicContact CZ3-CE1 4.39Å; W66-S110 PolarHBondContact N-O 3.36Å; W66-V111 HydrophobicContact CE3-CG2 3.99Å; W66-A112 PolarHBondContact O-N 2.92Å
67V94.7Very high92.1Very high53 Ų5369.4 Ų69.432%0.32138%0.383SS..EExtended strand (participates in β ladder)trans-80121.1170.4-176.90000107.7H60H60-V67 PolarHBondContact O-N 3.04Å
68P95.8Very high92.3Very high6 Ų664 Ų644%0.03936%0.36CS..PPolyproline II helixtrans-66.6160.8178.729.5-35.1000111.3Y70 A78 V79 V111 W113P68-Y70 HydrophobicContact CG-CE2 4.29Å; P68-A78 HydrophobicContact CB-CB 4.11Å; P68-A78 HydrophobicContact CG-CB 3.86Å; P68-V79 WeakPolarHBondContact CB-O 3.46Å; P68-V111 HydrophobicContact CB-CG1 4.41Å; P68-W113 HydrophobicContact CB-CE3 4.47Å; P68-W113 HydrophobicContact CB-CZ3 4.02Å; P68-W113 HydrophobicContact CG-CE3 4.18Å; P68-W113 HydrophobicContact CG-CZ3 4.2Å
69V96.1Very high92.7Very high13 Ų1358 Ų588%0.07933%0.332CS..EExtended strand (participates in β ladder)trans-80.7135.2174.8-179.70000108.7L54 K57 V59 A78 V79 F84L54-V69 HydrophobicContact CD1-CG1 3.99Å; L54-V69 HydrophobicContact CD2-CG1 4.2Å; K57-V69 HydrophobicContact CB-CG1 3.81Å; K57-V69 HydrophobicContact CB-CG2 4.08Å; K57-V69 HydrophobicContact CG-CG1 3.94Å; V59-V69 HydrophobicContact CG1-CG2 4.09Å; V69-A78 CarbonylContact O-C 3.58Å; V69-V79 PolarHBondContact N-O 3.47Å; V69-V79 WeakPolarHBondContact O-CA 3.47Å; V69-V79 WeakPolarHBondContact O-CB 3.48Å; V69-V79 PolarHBondContact O-N 2.89Å; V69-F84 HydrophobicContact CB-CD2 4.35Å; V69-F84 HydrophobicContact CB-CE2 3.89Å; V69-F84 HydrophobicContact CB-CZ 4Å; V69-F84 HydrophobicContact CG1-CZ 4.37Å; V69-F84 HydrophobicContact CG2-CD1 4.16Å; V69-F84 HydrophobicContact CG2-CD2 3.71Å; V69-F84 HydrophobicContact CG2-CE1 4.18Å; V69-F84 HydrophobicContact CG2-CE2 3.75Å; V69-F84 HydrophobicContact CG2-CG 3.93Å; V69-F84 HydrophobicContact CG2-CZ 3.99Å
70Y95.6Very high92.9Very high43 Ų4357.1 Ų57.117%0.16933%0.326CS..EExtended strand (participates in β ladder)trans-102.7143.2175.3-68.2-87.7000110.8P68 D72 K75 L77 A78P68-Y70 HydrophobicContact CG-CE2 4.29Å; Y70-D72 VanDerWaalsContact C-N 3.34Å; Y70-K75 VanDerWaalsContact CD1-CA 3.45Å; Y70-K75 HydrophobicContact CD1-CB 3.57Å; Y70-K75 HydrophobicContact CD1-CG 3.91Å; Y70-K75 HydrophobicContact CD2-CD 4.37Å; Y70-K75 HydrophobicContact CD2-CG 4.28Å; Y70-K75 HydrophobicContact CE1-CB 3.7Å; Y70-K75 HydrophobicContact CE1-CD 4.49Å; Y70-K75 HydrophobicContact CE1-CG 4.24Å; Y70-K75 WeakPolarHBondContact CE1-O 3.28Å; Y70-K75 HydrophobicContact CE2-CD 4.35Å; Y70-K75 HydrophobicContact CG-CB 4.1Å; Y70-K75 HydrophobicContact CG-CD 4.46Å; Y70-K75 HydrophobicContact CG-CG 3.9Å; Y70-L77 WeakPolarHBondContact CA-O 3.45Å; Y70-A78 HydrophobicContact CD1-CB 4.04Å; Y70-A78 HydrophobicContact CE1-CB 3.65Å
71T92.8Very high93.2Very high41 Ų4150.7 Ų50.725%0.25230%0.296SS..SBendtrans-66.9-35179.852.40000113.3L54 L77 V79L54-T71 HydrophobicContact CD1-CG2 4.15Å; T71-L77 HydrophobicContact CG2-CB 4.09Å; T71-L77 HydrophobicContact CG2-CD2 3.76Å; T71-L77 HydrophobicContact CG2-CG 3.87Å; T71-L77 PolarHBondContact N-O 3.41Å; T71-V79 HydrophobicContact CG2-CG2 4.02Å
72D91.3Very high93.4Very high81 Ų8144.4 Ų44.443%0.43327%0.267SS..SBendtrans-155.1179.2-176.361.760.7000111.7Y70 S74 K75Y70-D72 VanDerWaalsContact C-N 3.34Å; D72-S74 PolarHBondContact O-N 2.82Å; D72-S74 WeakPolarHBondContact OD1-CA 3.23Å; D72-S74 WeakPolarHBondContact OD1-CB 3.29Å; D72-S74 PolarHBondContact OD1-N 2.79Å; D72-S74 PolarHBondContact OD1-OG 3.25Å; D72-K75 PolarHBondContact O-N 3.09Å
73S91.9Very high93.5Very high125 Ų12543 Ų4387%0.87426%0.259SS*.THydrogen-bonded Turntrans-67.7-17.5-177.655.80000114.8K75S73-K75 PolarHBondContact O-N 2.79Å
74S93.2Very high93.8Very high57 Ų5736.6 Ų36.640%0.39921%0.214SC..THydrogen-bonded Turntrans-70.4-18.8175.780.10000112.2D72 R76D72-S74 PolarHBondContact O-N 2.82Å; D72-S74 WeakPolarHBondContact OD1-CA 3.23Å; D72-S74 WeakPolarHBondContact OD1-CB 3.29Å; D72-S74 PolarHBondContact OD1-N 2.79Å; D72-S74 PolarHBondContact OD1-OG 3.25Å; S74-R76 PolarHBondContact O-N 3.46Å; S74-R76 VanDerWaalsContact O-N 3.15Å; S74-R76 PolarHBondContact OG-N 3.1Å
75K93.9Very high94.1Very high105 Ų10536.6 Ų36.646%0.45720%0.2SC..  trans53.128.9-178.5-63.5-170.9175.7-1720114Y70 D72 S73Y70-K75 VanDerWaalsContact CD1-CA 3.45Å; Y70-K75 HydrophobicContact CD1-CB 3.57Å; Y70-K75 HydrophobicContact CD1-CG 3.91Å; Y70-K75 HydrophobicContact CD2-CD 4.37Å; Y70-K75 HydrophobicContact CD2-CG 4.28Å; Y70-K75 HydrophobicContact CE1-CB 3.7Å; Y70-K75 HydrophobicContact CE1-CD 4.49Å; Y70-K75 HydrophobicContact CE1-CG 4.24Å; Y70-K75 WeakPolarHBondContact CE1-O 3.28Å; Y70-K75 HydrophobicContact CE2-CD 4.35Å; Y70-K75 HydrophobicContact CG-CB 4.1Å; Y70-K75 HydrophobicContact CG-CD 4.46Å; Y70-K75 HydrophobicContact CG-CG 3.9Å; D72-K75 PolarHBondContact O-N 3.09Å; S73-K75 PolarHBondContact O-N 2.79Å
76R96.3Very high93.9Very high118 Ų11837.4 Ų37.445%0.44520%0.202SC..  trans-80.1-27.6177.6-71.1-169.8-178.1128-1.7113.7S31 Q32 V36 S74S31-R76 WeakPolarHBondContact O-CB 3.37Å; S31-R76 WeakPolarHBondContact O-CD 3.46Å; Q32-R76 PolarHBondContact O-NH1 3.32Å; V36-R76 PolarHBondContact N-O 2.89Å; S74-R76 PolarHBondContact O-N 3.46Å; S74-R76 VanDerWaalsContact O-N 3.15Å; S74-R76 PolarHBondContact OG-N 3.1Å
77L97.3Very high93.4Very high1 Ų143.3 Ų43.31%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-115.9108.8176-178.552.2000110.4A27 L28 V36 I38 Y70 T71 V79A27-L77 HydrophobicContact CB-CD1 3.88Å; A27-L77 HydrophobicContact CB-CD2 4.39Å; L28-L77 HydrophobicContact CD2-CD2 3.75Å; L28-L77 HydrophobicContact CG-CD2 4.14Å; V36-L77 HydrophobicContact CB-CD1 4.12Å; V36-L77 HydrophobicContact CG1-CD1 4Å; V36-L77 WeakPolarHBondContact O-CA 3.21Å; I38-L77 HydrophobicContact CB-CD1 4.45Å; I38-L77 HydrophobicContact CG2-CD1 4Å; Y70-L77 WeakPolarHBondContact CA-O 3.45Å; T71-L77 HydrophobicContact CG2-CB 4.09Å; T71-L77 HydrophobicContact CG2-CD2 3.76Å; T71-L77 HydrophobicContact CG2-CG 3.87Å; T71-L77 PolarHBondContact N-O 3.41Å; L77-V79 HydrophobicContact CG-CG2 4.24Å
78A97.4Very high92.8Very high2 Ų244.7 Ų44.72%0.01724%0.241CC..EExtended strand (participates in β ladder)trans-94.2136.1172.600000109.9V36 G37 I38 P68 V69 Y70 W113V36-A78 PolarHBondContact O-N 3.28Å; G37-A78 CarbonylContact C-O 3.6Å; G37-A78 VanDerWaalsContact CA-O 3.28Å; G37-A78 WeakPolarHBondContact CA-O 3.46Å; I38-A78 PolarHBondContact N-O 3.27Å; P68-A78 HydrophobicContact CB-CB 4.11Å; P68-A78 HydrophobicContact CG-CB 3.86Å; V69-A78 CarbonylContact O-C 3.58Å; Y70-A78 HydrophobicContact CD1-CB 4.04Å; Y70-A78 HydrophobicContact CE1-CB 3.65Å; A78-W113 HydrophobicContact CB-CE3 4.16Å; A78-W113 HydrophobicContact CB-CZ3 3.75Å
79V97.6Very high92Very high0 Ų048.4 Ų48.40%026%0.259CS..EExtended strand (participates in β ladder)trans-126.4128.2-172.2-170.40000108.6I38 V48 L52 L54 P68 V69 T71 L77 F84I38-V79 HydrophobicContact CG2-CB 4.07Å; I38-V79 HydrophobicContact CG2-CG1 3.85Å; I38-V79 HydrophobicContact CG2-CG2 3.81Å; I38-V79 WeakPolarHBondContact O-CA 3.44Å; V48-V79 HydrophobicContact CG1-CG1 3.7Å; L52-V79 HydrophobicContact CD1-CB 4.48Å; L52-V79 HydrophobicContact CD1-CG1 3.92Å; L52-V79 HydrophobicContact CD1-CG2 3.64Å; L54-V79 HydrophobicContact CD1-CB 3.94Å; L54-V79 HydrophobicContact CD1-CG1 4.1Å; L54-V79 HydrophobicContact CD1-CG2 3.62Å; P68-V79 WeakPolarHBondContact CB-O 3.46Å; V69-V79 PolarHBondContact N-O 3.47Å; V69-V79 WeakPolarHBondContact O-CA 3.47Å; V69-V79 WeakPolarHBondContact O-CB 3.48Å; V69-V79 PolarHBondContact O-N 2.89Å; T71-V79 HydrophobicContact CG2-CG2 4.02Å; L77-V79 HydrophobicContact CG-CG2 4.24Å; V79-F84 HydrophobicContact CB-CE2 4.09Å; V79-F84 HydrophobicContact CB-CZ 4.32Å; V79-F84 HydrophobicContact CG1-CE2 3.69Å; V79-F84 HydrophobicContact CG1-CZ 3.81Å
80M96.8Very high91.2Very high0 Ų054.6 Ų54.60%029%0.291CS..EExtended strand (participates in β ladder)trans-127.4133.4171.7-170.864.5174.100109.3I38 L39 D40 V59 W66 L85 F107 V111 W113I38-M80 PolarHBondContact O-N 2.81Å; L39-M80 CarbonylContact C-O 3.4Å; L39-M80 WeakPolarHBondContact CA-O 3.42Å; L39-M80 HydrophobicContact CD1-CB 3.8Å; L39-M80 HydrophobicContact CD1-CG 3.83Å; D40-M80 PolarHBondContact N-O 3.3Å; V59-M80 HydrophobicContact CG1-CE 4.18Å; V59-M80 HydrophobicContact CG1-SD 3.61Å; W66-M80 HydrophobicContact CB-CE 3.92Å; W66-M80 HydrophobicContact CD2-CE 3.87Å; W66-M80 HydrophobicContact CE3-CE 3.46Å; W66-M80 VanDerWaalsContact CE3-CE 3.46Å; W66-M80 HydrophobicContact CG-CE 4.09Å; W66-M80 HydrophobicContact CZ3-CE 4.21Å; M80-L85 HydrophobicContact CE-CD1 4.2Å; M80-F107 HydrophobicContact CE-CD1 3.86Å; M80-F107 HydrophobicContact CE-CE1 3.7Å; M80-F107 HydrophobicContact CG-CD1 4.05Å; M80-F107 HydrophobicContact CG-CE1 4.15Å; M80-V111 HydrophobicContact CE-CG2 3.81Å; M80-V111 HydrophobicContact CG-CG1 4.48Å; M80-V111 HydrophobicContact CG-CG2 3.81Å; M80-V111 HydrophobicContact SD-CG2 4.13Å; M80-W113 HydrophobicContact CB-CH2 3.62Å; M80-W113 HydrophobicContact CB-CZ2 3.88Å
81S95.4Very high90.7Very high0 Ų056.1 Ų56.10%030%0.302CS..EExtended strand (participates in β ladder)trans-153.4151.7177.4176.90000109D40 P46 G83 F84D40-S81 WeakPolarHBondContact CB-OG 3.41Å; D40-S81 PolarHBondContact OD2-OG 2.64Å; D40-S81 VanDerWaalsContact OD2-OG 3.14Å; P46-S81 WeakPolarHBondContact CB-OG 3.46Å; S81-G83 PolarHBondContact O-N 3.33Å; S81-G83 PolarHBondContact OG-N 3.3Å; S81-G83 VanDerWaalsContact OG-N 3.14Å; S81-F84 PolarHBondContact O-N 2.99Å
82I91.7Very high90.3Very high1 Ų157.9 Ų57.91%0.00532%0.321CS..G310 helixtrans-60.6-27.1170.1-166.268.2000111.3L43 P46 F84 L85 L86 W95 M103 F107L43-I82 HydrophobicContact CD2-CB 3.81Å; L43-I82 HydrophobicContact CD2-CD1 4.43Å; L43-I82 HydrophobicContact CD2-CG1 4.21Å; L43-I82 HydrophobicContact CD2-CG2 4.1Å; P46-I82 HydrophobicContact CB-CG2 3.82Å; P46-I82 HydrophobicContact CG-CG2 3.76Å; I82-F84 PolarHBondContact O-N 3.14Å; I82-F84 VanDerWaalsContact O-N 3.11Å; I82-L85 HydrophobicContact CD1-CB 4.08Å; I82-L85 HydrophobicContact CD1-CD1 3.89Å; I82-L85 WeakPolarHBondContact O-CA 3.48Å; I82-L85 WeakPolarHBondContact O-CB 3.44Å; I82-L85 PolarHBondContact O-N 3.11Å; I82-L86 HydrophobicContact CG1-CD2 4.29Å; I82-L86 WeakPolarHBondContact O-CG 2.8Å; I82-L86 PolarHBondContact O-N 2.89Å; I82-W95 HydrophobicContact CD1-CH2 3.49Å; I82-W95 VanDerWaalsContact CD1-CH2 3.49Å; I82-W95 HydrophobicContact CD1-CZ3 3.82Å; I82-W95 HydrophobicContact CG1-CH2 4.1Å; I82-W95 HydrophobicContact CG1-CZ3 4.38Å; I82-M103 HydrophobicContact CD1-CE 3.94Å; I82-M103 HydrophobicContact CD1-CG 3.99Å; I82-M103 HydrophobicContact CD1-SD 3.91Å; I82-F107 HydrophobicContact CB-CZ 3.98Å; I82-F107 HydrophobicContact CD1-CZ 4.2Å
83G90.5Very high89.9Confident14 Ų1454.8 Ų54.814%0.14431%0.305CS..G310 helixtrans-56.2-29.417800000113.7S81 L85S81-G83 PolarHBondContact O-N 3.33Å; S81-G83 PolarHBondContact OG-N 3.3Å; S81-G83 VanDerWaalsContact OG-N 3.14Å; G83-L85 VanDerWaalsContact C-N 3.3Å; G83-L85 PolarHBondContact O-N 3.22Å
84F93.2Very high89.5Confident7 Ų756.2 Ų56.23%0.03130%0.301CS..G310 helixtrans-79.5-10.7176.2-55-44.3000114.4P49 L54 K57 V59 V69 V79 S81 I82P49-F84 HydrophobicContact CB-CD1 4.28Å; P49-F84 HydrophobicContact CB-CE1 3.58Å; P49-F84 HydrophobicContact CB-CZ 4Å; P49-F84 HydrophobicContact CG-CD1 4.16Å; P49-F84 HydrophobicContact CG-CE1 3.7Å; P49-F84 HydrophobicContact CG-CE2 4.42Å; P49-F84 HydrophobicContact CG-CZ 3.84Å; L54-F84 HydrophobicContact CB-CE1 4.02Å; L54-F84 HydrophobicContact CB-CZ 4.09Å; L54-F84 HydrophobicContact CD1-CZ 4.2Å; K57-F84 HydrophobicContact CB-CD1 4.31Å; K57-F84 HydrophobicContact CB-CE1 4.2Å; K57-F84 WeakPolarHBondContact O-CD1 2.97Å; V59-F84 HydrophobicContact CB-CB 4.45Å; V59-F84 HydrophobicContact CG1-CB 3.67Å; V59-F84 HydrophobicContact CG1-CD2 3.94Å; V59-F84 HydrophobicContact CG1-CG 4.2Å; V59-F84 HydrophobicContact CG2-CB 4.31Å; V69-F84 HydrophobicContact CB-CD2 4.35Å; V69-F84 HydrophobicContact CB-CE2 3.89Å; V69-F84 HydrophobicContact CB-CZ 4Å; V69-F84 HydrophobicContact CG1-CZ 4.37Å; V69-F84 HydrophobicContact CG2-CD1 4.16Å; V69-F84 HydrophobicContact CG2-CD2 3.71Å; V69-F84 HydrophobicContact CG2-CE1 4.18Å; V69-F84 HydrophobicContact CG2-CE2 3.75Å; V69-F84 HydrophobicContact CG2-CG 3.93Å; V69-F84 HydrophobicContact CG2-CZ 3.99Å; V79-F84 HydrophobicContact CB-CE2 4.09Å; V79-F84 HydrophobicContact CB-CZ 4.32Å; V79-F84 HydrophobicContact CG1-CE2 3.69Å; V79-F84 HydrophobicContact CG1-CZ 3.81Å; S81-F84 PolarHBondContact O-N 2.99Å; I82-F84 PolarHBondContact O-N 3.14Å; I82-F84 VanDerWaalsContact O-N 3.11Å
85L89.7Confident89.1Confident57 Ų5756.5 Ų56.530%0.29829%0.293SS..G310 helixtrans-102.7-7.1179.5-70.5169.6000112.3V59 W66 M80 I82 G83 M103 F107V59-L85 HydrophobicContact CG2-CD2 3.21Å; V59-L85 HydrophobicContact CG2-CG 3.71Å; W66-L85 HydrophobicContact CH2-CD1 4.5Å; M80-L85 HydrophobicContact CE-CD1 4.2Å; I82-L85 HydrophobicContact CD1-CB 4.08Å; I82-L85 HydrophobicContact CD1-CD1 3.89Å; I82-L85 WeakPolarHBondContact O-CA 3.48Å; I82-L85 WeakPolarHBondContact O-CB 3.44Å; I82-L85 PolarHBondContact O-N 3.11Å; G83-L85 VanDerWaalsContact C-N 3.3Å; G83-L85 PolarHBondContact O-N 3.22Å; L85-M103 HydrophobicContact CD1-SD 4.22Å; L85-F107 HydrophobicContact CD1-CE1 3.93Å; L85-F107 HydrophobicContact CD1-CZ 4.49Å
86L87.4Confident88.7Confident26 Ų2661.9 Ų61.914%0.13631%0.311CS..SBendtrans-79.5146.4175.7-56.7179.8000110.3I82 N88 V93I82-L86 HydrophobicContact CG1-CD2 4.29Å; I82-L86 WeakPolarHBondContact O-CG 2.8Å; I82-L86 PolarHBondContact O-N 2.89Å; L86-N88 VanDerWaalsContact C-N 3.34Å; L86-N88 VanDerWaalsContact CB-O 3.32Å; L86-N88 WeakPolarHBondContact CB-O 3.3Å; L86-V93 HydrophobicContact CD1-CG2 4.12Å; L86-V93 HydrophobicContact CD2-CG2 3.77Å
87N82Confident88.2Confident159 Ų15957.6 Ų57.685%0.8530%0.303SS*.SBendtrans-70.2-36.8176.4-68.9-34.5000111.1
88N83.9Confident87.7Confident82 Ų8262.4 Ų62.444%0.43934%0.335SS..SBendtrans-129.8142.6171.6-174.23.6000109.3L86 D90 D91L86-N88 VanDerWaalsContact C-N 3.34Å; L86-N88 VanDerWaalsContact CB-O 3.32Å; L86-N88 WeakPolarHBondContact CB-O 3.3Å; N88-D90 PolarHBondContact O-N 3.41Å; N88-D90 PolarHBondContact OD1-N 2.93Å; N88-D91 PolarHBondContact N-OD2 3.03Å; N88-D91 WeakPolarHBondContact O-CB 3.36Å; N88-D91 PolarHBondContact O-N 2.82Å; N88-D91 VanDerWaalsContact O-N 3.11Å
89E78Confident87.4Confident85 Ų8567.6 Ų67.640%0.39736%0.357SS..THydrogen-bonded Turntrans-63.7-27.5-179.9-64.2-172.3174.800113Q55 G56 D91Q55-E89 VanDerWaalsContact C-OE1 3.31Å; Q55-E89 WeakPolarHBondContact CA-OE1 3.42Å; Q55-E89 VanDerWaalsContact CB-OE1 3.28Å; Q55-E89 WeakPolarHBondContact CB-OE1 3.23Å; Q55-E89 PolarHBondContact NE2-OE2 2.71Å; G56-E89 PolarHBondContact N-OE1 2.91Å; E89-D91 VanDerWaalsContact C-N 3.3Å
90D79.6Confident87Confident143 Ų14368.8 Ų68.877%0.76536%0.362SS*.THydrogen-bonded Turntrans-84.1-3178.5-63-42.5000113.2N88 A92N88-D90 PolarHBondContact O-N 3.41Å; N88-D90 PolarHBondContact OD1-N 2.93Å; D90-A92 PolarHBondContact O-N 2.83Å
91D85.5Confident86.6Confident74 Ų7470.9 Ų70.940%0.39637%0.373SS..  trans-69.2121.3-178.5-75.6-16.5000110.9N88 E89 V93N88-D91 PolarHBondContact N-OD2 3.03Å; N88-D91 WeakPolarHBondContact O-CB 3.36Å; N88-D91 PolarHBondContact O-N 2.82Å; N88-D91 VanDerWaalsContact O-N 3.11Å; E89-D91 VanDerWaalsContact C-N 3.3Å; D91-V93 PolarHBondContact O-N 2.81Å
92A83.1Confident86.4Confident78 Ų7873 Ų7365%0.64539%0.391SS*.  trans-70.3130.7175.200000111.7D90 I94D90-A92 PolarHBondContact O-N 2.83Å; A92-I94 HydrophobicContact CB-CD1 4.39Å; A92-I94 HydrophobicContact CB-CG1 4.1Å; A92-I94 PolarHBondContact O-N 3.04Å
93V83.6Confident86.4Confident16 Ų1674 Ų7410%0.09740%0.396CS..  trans-80.285.5175.8-1760000110.5L43 L86 D91 W95L43-V93 VanDerWaalsContact O-CB 3.26Å; L43-V93 WeakPolarHBondContact O-CB 3.28Å; L43-V93 VanDerWaalsContact O-CG2 3.29Å; L43-V93 WeakPolarHBondContact O-CG2 3.27Å; L86-V93 HydrophobicContact CD1-CG2 4.12Å; L86-V93 HydrophobicContact CD2-CG2 3.77Å; D91-V93 PolarHBondContact O-N 2.81Å; V93-W95 HydrophobicContact CG1-CB 4.32Å; V93-W95 HydrophobicContact CG1-CD2 3.46Å; V93-W95 VanDerWaalsContact CG1-CD2 3.46Å; V93-W95 HydrophobicContact CG1-CE3 3.69Å; V93-W95 HydrophobicContact CG1-CG 3.78Å; V93-W95 HydrophobicContact CG1-CH2 4.4Å; V93-W95 HydrophobicContact CG1-CZ2 4.21Å; V93-W95 HydrophobicContact CG1-CZ3 4.15Å; V93-W95 PolarHBondContact O-N 2.67Å
94I83.5Confident86.4Confident155 Ų15573.4 Ų73.480%0.79539%0.389SS*.  trans-9473.6178.2-49.5175.4000109.7A92A92-I94 HydrophobicContact CB-CD1 4.39Å; A92-I94 HydrophobicContact CB-CG1 4.1Å; A92-I94 PolarHBondContact O-N 3.04Å
95W85Confident86.3Confident63 Ų6378.7 Ų78.724%0.23941%0.412CS..  trans-111.6147.9-179-64.7-7000112.4I82 V93 K99 K100 M103I82-W95 HydrophobicContact CD1-CH2 3.49Å; I82-W95 VanDerWaalsContact CD1-CH2 3.49Å; I82-W95 HydrophobicContact CD1-CZ3 3.82Å; I82-W95 HydrophobicContact CG1-CH2 4.1Å; I82-W95 HydrophobicContact CG1-CZ3 4.38Å; V93-W95 HydrophobicContact CG1-CB 4.32Å; V93-W95 HydrophobicContact CG1-CD2 3.46Å; V93-W95 VanDerWaalsContact CG1-CD2 3.46Å; V93-W95 HydrophobicContact CG1-CE3 3.69Å; V93-W95 HydrophobicContact CG1-CG 3.78Å; V93-W95 HydrophobicContact CG1-CH2 4.4Å; V93-W95 HydrophobicContact CG1-CZ2 4.21Å; V93-W95 HydrophobicContact CG1-CZ3 4.15Å; V93-W95 PolarHBondContact O-N 2.67Å; W95-K99 HydrophobicContact CB-CB 4.33Å; W95-K99 HydrophobicContact CB-CD 4.08Å; W95-K99 HydrophobicContact CB-CG 4.36Å; W95-K99 HydrophobicContact CD2-CD 3.79Å; W95-K99 HydrophobicContact CD2-CG 4.14Å; W95-K99 VanDerWaalsContact CE2-NZ 3.35Å; W95-K99 HydrophobicContact CE3-CD 4.24Å; W95-K99 HydrophobicContact CE3-CG 4.09Å; W95-K99 HydrophobicContact CG-CD 3.68Å; W95-K99 HydrophobicContact CG-CG 4.26Å; W95-K99 VanDerWaalsContact NE1-NZ 3.19Å; W95-K100 HydrophobicContact CB-CG 4Å; W95-K100 WeakPolarHBondContact O-CE 3.33Å; W95-M103 HydrophobicContact CH2-CE 3.81Å; W95-M103 HydrophobicContact CZ3-CB 4.17Å; W95-M103 HydrophobicContact CZ3-CE 3.76Å; W95-M103 HydrophobicContact CZ3-CG 4.1Å
96R85.4Confident86.4Confident218 Ų21879 Ų7982%0.82341%0.414SS*.  trans-75.4151.9172-64.2-172.5176-159.5-0.9110.7K99 K100R96-K99 WeakPolarHBondContact O-CB 3.03Å; R96-K99 PolarHBondContact O-N 3.22Å; R96-K100 PolarHBondContact O-N 3.24Å
97G85.1Confident86.7Confident28 Ų2877.9 Ų77.929%0.28941%0.408SS..Hα-helixtrans-43.8-49.8-177.900000115.4K99 K100 N101G97-K99 VanDerWaalsContact C-N 3.26Å; G97-K99 PolarHBondContact O-N 2.86Å; G97-K100 WeakPolarHBondContact O-CB 3.19Å; G97-K100 PolarHBondContact O-N 2.88Å; G97-K100 VanDerWaalsContact O-N 3.07Å; G97-N101 PolarHBondContact O-N 2.61Å; G97-N101 PolarHBondContact O-OD1 3.28Å
98P88.1Confident87Confident103 Ų10370.3 Ų70.367%0.66937%0.368SS*.Hα-helixtrans-57.7-35.7178.8-27.835.7000114.3A102P98-A102 WeakPolarHBondContact O-CB 3.36Å; P98-A102 PolarHBondContact O-N 3Å
99K90Very high87.3Confident110 Ų11072.2 Ų72.248%0.47838%0.378SS..Hα-helixtrans-72.4-37.5178-175.3176.9178-170.30111.5W95 R96 G97 A102 M103W95-K99 HydrophobicContact CB-CB 4.33Å; W95-K99 HydrophobicContact CB-CD 4.08Å; W95-K99 HydrophobicContact CB-CG 4.36Å; W95-K99 HydrophobicContact CD2-CD 3.79Å; W95-K99 HydrophobicContact CD2-CG 4.14Å; W95-K99 VanDerWaalsContact CE2-NZ 3.35Å; W95-K99 HydrophobicContact CE3-CD 4.24Å; W95-K99 HydrophobicContact CE3-CG 4.09Å; W95-K99 HydrophobicContact CG-CD 3.68Å; W95-K99 HydrophobicContact CG-CG 4.26Å; W95-K99 VanDerWaalsContact NE1-NZ 3.19Å; R96-K99 WeakPolarHBondContact O-CB 3.03Å; R96-K99 PolarHBondContact O-N 3.22Å; G97-K99 VanDerWaalsContact C-N 3.26Å; G97-K99 PolarHBondContact O-N 2.86Å; K99-A102 PolarHBondContact O-N 2.86Å; K99-M103 PolarHBondContact O-N 2.9Å
100K88.9Confident87.9Confident25 Ų2570.1 Ų70.111%0.10937%0.373CS..Hα-helixtrans-64.7-44.5173.9-65.4-173.3-172-1780111.4L43 C44 W95 R96 G97 A102 M103 I104 E130L43-K100 HydrophobicContact CD1-CB 3.72Å; L43-K100 HydrophobicContact CD1-CG 4.02Å; C44-K100 PolarHBondContact SG-NZ 3.46Å; W95-K100 HydrophobicContact CB-CG 4Å; W95-K100 WeakPolarHBondContact O-CE 3.33Å; R96-K100 PolarHBondContact O-N 3.24Å; G97-K100 WeakPolarHBondContact O-CB 3.19Å; G97-K100 PolarHBondContact O-N 2.88Å; G97-K100 VanDerWaalsContact O-N 3.07Å; K100-A102 VanDerWaalsContact C-N 3.31Å; K100-A102 PolarHBondContact O-N 2.82Å; K100-M103 WeakPolarHBondContact O-CB 3.37Å; K100-M103 PolarHBondContact O-N 3.18Å; K100-M103 VanDerWaalsContact O-N 3.1Å; K100-I104 WeakPolarHBondContact O-CG1 3.44Å; K100-I104 PolarHBondContact O-N 3.02Å; K100-E130 HydrophobicContact CB-CG 4.22Å; K100-E130 HydrophobicContact CD-CG 3.81Å; K100-E130 WeakPolarHBondContact CD-OE1 3.43Å; K100-E130 WeakPolarHBondContact CE-OE1 3.2Å; K100-E130 IonicContact NZ-OE1 2.68Å; K100-E130 PolarHBondContact NZ-OE1 3.45Å
101N88.4Confident88.6Confident44 Ų4463.8 Ų63.824%0.23534%0.339CS..Hα-helixtrans-65-36.6177.6-65.21.8000111.8G97 I104 K105 S133G97-N101 PolarHBondContact O-N 2.61Å; G97-N101 PolarHBondContact O-OD1 3.28Å; N101-I104 PolarHBondContact O-N 3.01Å; N101-K105 WeakPolarHBondContact O-CG 3.37Å; N101-K105 PolarHBondContact O-N 2.8Å; N101-K105 VanDerWaalsContact O-N 3.15Å; N101-S133 VanDerWaalsContact CG-OG 3.28Å; N101-S133 PolarHBondContact ND2-OG 3.47Å; N101-S133 PolarHBondContact OD1-OG 2.99Å
102A91.3Very high89Confident44 Ų4462 Ų6236%0.36433%0.334SS..Hα-helixtrans-61.9-45.3170.900000111.4P98 K99 K100 I104 K105 D106P98-A102 WeakPolarHBondContact O-CB 3.36Å; P98-A102 PolarHBondContact O-N 3Å; K99-A102 PolarHBondContact O-N 2.86Å; K100-A102 VanDerWaalsContact C-N 3.31Å; K100-A102 PolarHBondContact O-N 2.82Å; A102-I104 PolarHBondContact O-N 3.27Å; A102-K105 CarbonylContact O-C 3.59Å; A102-K105 WeakPolarHBondContact O-CB 3.45Å; A102-K105 PolarHBondContact O-N 3Å; A102-K105 VanDerWaalsContact O-N 3.13Å; A102-D106 PolarHBondContact O-N 3.45Å
103M92.2Very high89.4Confident24 Ų2458.9 Ų58.912%0.11831%0.306CS..Hα-helixtrans-60.8-41.7177.2-17558.361.300112.8L43 W66 I82 L85 W95 K99 K100 K105 D106 F107L43-M103 HydrophobicContact CD1-CB 4.22Å; L43-M103 HydrophobicContact CD1-CG 4.36Å; L43-M103 HydrophobicContact CD2-CG 3.87Å; W66-M103 HydrophobicContact CH2-SD 4.06Å; W66-M103 HydrophobicContact CZ3-SD 4.41Å; I82-M103 HydrophobicContact CD1-CE 3.94Å; I82-M103 HydrophobicContact CD1-CG 3.99Å; I82-M103 HydrophobicContact CD1-SD 3.91Å; L85-M103 HydrophobicContact CD1-SD 4.22Å; W95-M103 HydrophobicContact CH2-CE 3.81Å; W95-M103 HydrophobicContact CZ3-CB 4.17Å; W95-M103 HydrophobicContact CZ3-CE 3.76Å; W95-M103 HydrophobicContact CZ3-CG 4.1Å; K99-M103 PolarHBondContact O-N 2.9Å; K100-M103 WeakPolarHBondContact O-CB 3.37Å; K100-M103 PolarHBondContact O-N 3.18Å; K100-M103 VanDerWaalsContact O-N 3.1Å; M103-K105 VanDerWaalsContact C-N 3.29Å; M103-K105 PolarHBondContact O-N 3.42Å; M103-D106 CarbonylContact O-C 3.57Å; M103-D106 PolarHBondContact O-N 3.07Å; M103-D106 VanDerWaalsContact O-N 3.12Å; M103-F107 HydrophobicContact CG-CD2 4.42Å; M103-F107 HydrophobicContact CG-CE1 4.37Å; M103-F107 HydrophobicContact CG-CE2 4.05Å; M103-F107 HydrophobicContact CG-CZ 4.01Å; M103-F107 PolarHBondContact O-N 3.15Å; M103-F107 HydrophobicContact SD-CD1 4.29Å; M103-F107 HydrophobicContact SD-CE1 3.87Å; M103-F107 HydrophobicContact SD-CZ 4.05Å
104I91.4Very high89.8Confident1 Ų162 Ų621%0.00532%0.319CS..Hα-helixtrans-59.8-42.3175.4-69.3158.9000110.7L43 K100 N101 A102 D106 F107 A108 E130 I134 V137 F138L43-I104 HydrophobicContact CD1-CG1 4.26Å; K100-I104 WeakPolarHBondContact O-CG1 3.44Å; K100-I104 PolarHBondContact O-N 3.02Å; N101-I104 PolarHBondContact O-N 3.01Å; A102-I104 PolarHBondContact O-N 3.27Å; I104-D106 VanDerWaalsContact C-N 3.34Å; I104-F107 PolarHBondContact O-N 2.93Å; I104-A108 PolarHBondContact O-N 3.49Å; I104-A108 VanDerWaalsContact O-N 3.14Å; I104-E130 HydrophobicContact CD1-CB 4.16Å; I104-I134 HydrophobicContact CB-CG1 4.44Å; I104-I134 HydrophobicContact CD1-CD1 4.1Å; I104-I134 HydrophobicContact CD1-CG1 3.82Å; I104-I134 HydrophobicContact CG1-CD1 4.31Å; I104-I134 HydrophobicContact CG1-CG1 3.89Å; I104-I134 HydrophobicContact CG2-CB 4.48Å; I104-I134 HydrophobicContact CG2-CG1 3.66Å; I104-V137 HydrophobicContact CG2-CB 4.34Å; I104-V137 HydrophobicContact CG2-CG2 4.26Å; I104-F138 HydrophobicContact CG2-CE2 4.29Å
105K91Very high90.3Very high118 Ų11859.9 Ų59.951%0.51331%0.305SS..Hα-helixtrans-66.1-36.5174.8-69.9174.9-178.9-177.40112.1N101 A102 M103 A108 N109 V137N101-K105 WeakPolarHBondContact O-CG 3.37Å; N101-K105 PolarHBondContact O-N 2.8Å; N101-K105 VanDerWaalsContact O-N 3.15Å; A102-K105 CarbonylContact O-C 3.59Å; A102-K105 WeakPolarHBondContact O-CB 3.45Å; A102-K105 PolarHBondContact O-N 3Å; A102-K105 VanDerWaalsContact O-N 3.13Å; M103-K105 VanDerWaalsContact C-N 3.29Å; M103-K105 PolarHBondContact O-N 3.42Å; K105-A108 PolarHBondContact O-N 3.33Å; K105-N109 WeakPolarHBondContact O-CB 3.45Å; K105-N109 PolarHBondContact O-N 2.79Å; K105-N109 PolarHBondContact O-ND2 3.3Å; K105-V137 HydrophobicContact CG-CG2 4.08Å
106D92Very high90.8Very high64 Ų6457.2 Ų57.234%0.34230%0.295SS..Hα-helixtrans-68.9-39175.9-68.1-26.4000111.3W66 A102 M103 I104 A108 N109 S110W66-D106 HydrophobicContact CH2-CB 3.5Å; W66-D106 VanDerWaalsContact CH2-CB 3.5Å; W66-D106 HydrophobicContact CZ3-CB 3.58Å; A102-D106 PolarHBondContact O-N 3.45Å; M103-D106 CarbonylContact O-C 3.57Å; M103-D106 PolarHBondContact O-N 3.07Å; M103-D106 VanDerWaalsContact O-N 3.12Å; I104-D106 VanDerWaalsContact C-N 3.34Å; D106-A108 PolarHBondContact O-N 2.89Å; D106-N109 PolarHBondContact O-N 2.78Å; D106-S110 WeakPolarHBondContact O-CA 3.43Å; D106-S110 WeakPolarHBondContact O-CB 3.34Å; D106-S110 PolarHBondContact O-N 3.41Å; D106-S110 PolarHBondContact O-OG 2.97Å
107F92.5Very high91.3Very high1 Ų148.7 Ų48.70%0.00427%0.266CS..Hα-helixtrans-59.5-37.6172-72.9-26.2000112.7L39 L43 W66 M80 I82 L85 M103 I104 V111L39-F107 HydrophobicContact CD1-CB 3.91Å; L39-F107 HydrophobicContact CD1-CD1 4.3Å; L39-F107 HydrophobicContact CD1-CD2 3.77Å; L39-F107 HydrophobicContact CD1-CE2 4.28Å; L39-F107 HydrophobicContact CD1-CG 3.77Å; L39-F107 HydrophobicContact CD2-CB 4.01Å; L43-F107 HydrophobicContact CD2-CE2 3.57Å; L43-F107 HydrophobicContact CD2-CZ 4.15Å; W66-F107 HydrophobicContact CE3-CD1 4.42Å; W66-F107 AromaticContact CZ3-CD1 3.98Å; W66-F107 HydrophobicContact CZ3-CD1 3.98Å; W66-F107 HydrophobicContact CZ3-CE1 4.39Å; M80-F107 HydrophobicContact CE-CD1 3.86Å; M80-F107 HydrophobicContact CE-CE1 3.7Å; M80-F107 HydrophobicContact CG-CD1 4.05Å; M80-F107 HydrophobicContact CG-CE1 4.15Å; I82-F107 HydrophobicContact CB-CZ 3.98Å; I82-F107 HydrophobicContact CD1-CZ 4.2Å; L85-F107 HydrophobicContact CD1-CE1 3.93Å; L85-F107 HydrophobicContact CD1-CZ 4.49Å; M103-F107 HydrophobicContact CG-CD2 4.42Å; M103-F107 HydrophobicContact CG-CE1 4.37Å; M103-F107 HydrophobicContact CG-CE2 4.05Å; M103-F107 HydrophobicContact CG-CZ 4.01Å; M103-F107 PolarHBondContact O-N 3.15Å; M103-F107 HydrophobicContact SD-CD1 4.29Å; M103-F107 HydrophobicContact SD-CE1 3.87Å; M103-F107 HydrophobicContact SD-CZ 4.05Å; I104-F107 PolarHBondContact O-N 2.93Å; F107-V111 HydrophobicContact CD1-CG2 4.45Å; F107-V111 WeakPolarHBondContact O-CG2 3.1Å
108A89.1Confident91.9Very high1 Ų148.2 Ų48.21%0.00826%0.256CS..Hα-helixtrans-71.2-37.3177.300000113.6M1 I104 K105 D106 V137 F138M1-A108 VanDerWaalsContact CE-CA 3.43Å; M1-A108 HydrophobicContact CE-CB 3.34Å; M1-A108 WeakPolarHBondContact CE-O 3.18Å; M1-A108 WeakPolarHBondContact CG-O 3.35Å; I104-A108 PolarHBondContact O-N 3.49Å; I104-A108 VanDerWaalsContact O-N 3.14Å; K105-A108 PolarHBondContact O-N 3.33Å; D106-A108 PolarHBondContact O-N 2.89Å; A108-V137 HydrophobicContact CB-CG1 3.28Å; A108-F138 HydrophobicContact CB-CE1 4.38Å; A108-F138 HydrophobicContact CB-CE2 4.44Å; A108-F138 HydrophobicContact CB-CZ 3.96Å
109N89.8Confident92.3Very high122 Ų12243.3 Ų43.365%0.65222%0.224SC*.Hα-helixtrans-109-28.7-167.9-64.6-54.5000114.6K105 D106K105-N109 WeakPolarHBondContact O-CB 3.45Å; K105-N109 PolarHBondContact O-N 2.79Å; K105-N109 PolarHBondContact O-ND2 3.3Å; D106-N109 PolarHBondContact O-N 2.78Å
110S91.2Very high92.6Very high40 Ų4038.1 Ų38.128%0.2820%0.201SC..THydrogen-bonded Turntrans-103.3-7.9-169.8-53.50000113.1G65 W66 D106G65-S110 CarbonylContact C-O 3.45Å; G65-S110 WeakPolarHBondContact CA-O 3.33Å; W66-S110 PolarHBondContact N-O 3.36Å; D106-S110 WeakPolarHBondContact O-CA 3.43Å; D106-S110 WeakPolarHBondContact O-CB 3.34Å; D106-S110 PolarHBondContact O-N 3.41Å; D106-S110 PolarHBondContact O-OG 2.97Å
111V93.5Very high92.9Very high11 Ų1136.9 Ų36.97%0.06720%0.196CC..BIsolated β-bridgetrans-82.5124.3173.4-175.60000109.3W66 P68 M80 F107 W113W66-V111 HydrophobicContact CE3-CG2 3.99Å; P68-V111 HydrophobicContact CB-CG1 4.41Å; M80-V111 HydrophobicContact CE-CG2 3.81Å; M80-V111 HydrophobicContact CG-CG1 4.48Å; M80-V111 HydrophobicContact CG-CG2 3.81Å; M80-V111 HydrophobicContact SD-CG2 4.13Å; F107-V111 HydrophobicContact CD1-CG2 4.45Å; F107-V111 WeakPolarHBondContact O-CG2 3.1Å; V111-W113 HydrophobicContact CB-CD2 4.35Å; V111-W113 HydrophobicContact CB-CG 4.42Å; V111-W113 HydrophobicContact CB-CZ2 4.25Å; V111-W113 HydrophobicContact CG1-CD2 3.61Å; V111-W113 HydrophobicContact CG1-CE3 4.12Å; V111-W113 HydrophobicContact CG1-CG 4.01Å; V111-W113 HydrophobicContact CG1-CH2 4.21Å; V111-W113 HydrophobicContact CG1-CZ2 3.69Å; V111-W113 HydrophobicContact CG1-CZ3 4.4Å; V111-W113 PolarHBondContact O-N 3.45Å
112A92.9Very high93.3Very high35 Ų3534.8 Ų34.829%0.28919%0.185SC..  trans-78.464.5179.200000110.7W66 E114W66-A112 PolarHBondContact O-N 2.92Å; A112-E114 PolarHBondContact O-N 3.46Å
113W91.7Very high93.4Very high13 Ų1332.7 Ų32.75%0.04917%0.167CC..  trans-62.5122174.5-59.7111.5000110.3N3 V4 L39 P68 A78 M80 V111 L116 L119N3-W113 PolarHBondContact ND2-O 2.86Å; V4-W113 HydrophobicContact CG2-CB 4.48Å; L39-W113 HydrophobicContact CB-CZ2 4.49Å; P68-W113 HydrophobicContact CB-CE3 4.47Å; P68-W113 HydrophobicContact CB-CZ3 4.02Å; P68-W113 HydrophobicContact CG-CE3 4.18Å; P68-W113 HydrophobicContact CG-CZ3 4.2Å; A78-W113 HydrophobicContact CB-CE3 4.16Å; A78-W113 HydrophobicContact CB-CZ3 3.75Å; M80-W113 HydrophobicContact CB-CH2 3.62Å; M80-W113 HydrophobicContact CB-CZ2 3.88Å; V111-W113 HydrophobicContact CB-CD2 4.35Å; V111-W113 HydrophobicContact CB-CG 4.42Å; V111-W113 HydrophobicContact CB-CZ2 4.25Å; V111-W113 HydrophobicContact CG1-CD2 3.61Å; V111-W113 HydrophobicContact CG1-CE3 4.12Å; V111-W113 HydrophobicContact CG1-CG 4.01Å; V111-W113 HydrophobicContact CG1-CH2 4.21Å; V111-W113 HydrophobicContact CG1-CZ2 3.69Å; V111-W113 HydrophobicContact CG1-CZ3 4.4Å; V111-W113 PolarHBondContact O-N 3.45Å; W113-L116 HydrophobicContact CB-CD1 4.24Å; W113-L116 HydrophobicContact CD2-CD1 3.97Å; W113-L116 HydrophobicContact CE3-CD1 3.61Å; W113-L116 HydrophobicContact CG-CD1 4.28Å; W113-L116 HydrophobicContact CZ3-CD1 4.26Å; W113-L119 HydrophobicContact CH2-CD1 3.96Å; W113-L119 HydrophobicContact CZ2-CD1 3.86Å; W113-L119 HydrophobicContact CZ3-CD1 4.42Å
114E92.3Very high93.3Very high81 Ų8132 Ų3238%0.37916%0.164SC..  trans-62.5-175.9161.6-68.3-172.6-166.900110.3N3 R35 A112 L116N3-E114 WeakPolarHBondContact CB-O 3.4Å; R35-E114 IonicContact NH1-OE2 3.43Å; R35-E114 PolarHBondContact NH1-OE2 3.06Å; A112-E114 PolarHBondContact O-N 3.46Å; E114-L116 PolarHBondContact O-N 3.04Å
115F94.6Very high93.2Very high112 Ų11233.7 Ų33.749%0.49118%0.176SC..  trans-59.2124.7170.6179.7-95.7000110.7N3 R35N3-F115 WeakPolarHBondContact O-CA 3.44Å; R35-F115 WeakPolarHBondContact CB-O 3.2Å; R35-F115 VanDerWaalsContact CD-O 3.25Å; R35-F115 WeakPolarHBondContact CD-O 3.42Å
116L95.9Very high92.8Very high7 Ų728.9 Ų28.94%0.03716%0.159CC..EExtended strand (participates in β ladder)trans-125130.5176.7-60.9-176.8000110N3 V4 N5 R35 W113 E114 L119N3-L116 PolarHBondContact O-N 3.22Å; V4-L116 HydrophobicContact CG2-CB 4.38Å; V4-L116 HydrophobicContact CG2-CD1 4.15Å; N5-L116 PolarHBondContact N-O 3.32Å; R35-L116 HydrophobicContact CB-CD2 4.37Å; R35-L116 CarbonylContact O-C 3.52Å; R35-L116 WeakPolarHBondContact O-CA 3.32Å; W113-L116 HydrophobicContact CB-CD1 4.24Å; W113-L116 HydrophobicContact CD2-CD1 3.97Å; W113-L116 HydrophobicContact CE3-CD1 3.61Å; W113-L116 HydrophobicContact CG-CD1 4.28Å; W113-L116 HydrophobicContact CZ3-CD1 4.26Å; E114-L116 PolarHBondContact O-N 3.04Å; L116-L119 HydrophobicContact CD1-CD1 4.34Å
117D95.7Very high92Very high39 Ų3929.3 Ų29.321%0.20916%0.164CC..EExtended strand (participates in β ladder)trans-68.5-43.9167.8-60.7-68.2000110C6 K34 R35C6-D117 PolarHBondContact N-O 3.06Å; C6-D117 VanDerWaalsContact N-O 3.1Å; K34-D117 HydrophobicContact CB-CB 4.04Å; R35-D117 PolarHBondContact N-OD2 3.27Å; R35-D117 PolarHBondContact O-N 3.18Å
118Y96.5Very high91.1Very high18 Ų1831 Ų317%0.07118%0.176CC..EExtended strand (participates in β ladder)trans-134.7137.3-179.4-58.6-76.9000111.7C6 I8 L30 K34 R35 V36 G37 L258 D259C6-Y118 HydrophobicContact CB-CD1 3.78Å; C6-Y118 HydrophobicContact CB-CE1 4.02Å; C6-Y118 CarbonylContact O-C 3.54Å; C6-Y118 VanDerWaalsContact O-CA 3.32Å; C6-Y118 WeakPolarHBondContact O-CA 3.42Å; I8-Y118 HydrophobicContact CG1-CD1 4.45Å; L30-Y118 HydrophobicContact CD1-CD2 4.18Å; L30-Y118 HydrophobicContact CD1-CG 4.25Å; L30-Y118 HydrophobicContact CD2-CD2 4.37Å; L30-Y118 HydrophobicContact CD2-CE2 4.26Å; K34-Y118 HydrophobicContact CB-CD2 4.41Å; K34-Y118 HydrophobicContact CG-CD2 4.46Å; K34-Y118 HydrophobicContact CG-CE2 4.16Å; R35-Y118 PolarHBondContact O-N 2.97Å; V36-Y118 CarbonylContact C-O 3.57Å; V36-Y118 WeakPolarHBondContact CA-O 3.36Å; G37-Y118 PolarHBondContact N-O 2.79Å; Y118-L258 HydrophobicContact CE1-CB 3.99Å; Y118-L258 HydrophobicContact CE1-CD1 4.3Å; Y118-L258 HydrophobicContact CE1-CD2 4.4Å; Y118-L258 HydrophobicContact CE1-CG 4.47Å; Y118-L258 PolarHBondContact OH-O 3.29Å; Y118-D259 PolarHBondContact OH-OD1 3.13Å
119L96.5Very high90.5Very high0 Ų036.3 Ų36.30%020%0.204CC..EExtended strand (participates in β ladder)trans-112.2112.2163.2177.364.5000108.8M1 V4 C6 V7 I8 G37 L39 W113 L116 V121 F138M1-L119 HydrophobicContact SD-CD2 3.77Å; V4-L119 HydrophobicContact CG1-CB 3.53Å; V4-L119 HydrophobicContact CG1-CD2 4.45Å; V4-L119 HydrophobicContact CG2-CD2 4.5Å; C6-L119 PolarHBondContact O-N 2.78Å; V7-L119 WeakPolarHBondContact CA-O 3.28Å; V7-L119 HydrophobicContact CG2-CB 4.35Å; I8-L119 PolarHBondContact N-O 3.34Å; G37-L119 CarbonylContact O-C 3.53Å; G37-L119 WeakPolarHBondContact O-CA 3.27Å; L39-L119 HydrophobicContact CB-CD1 4.31Å; W113-L119 HydrophobicContact CH2-CD1 3.96Å; W113-L119 HydrophobicContact CZ2-CD1 3.86Å; W113-L119 HydrophobicContact CZ3-CD1 4.42Å; L116-L119 HydrophobicContact CD1-CD1 4.34Å; L119-V121 HydrophobicContact CD2-CG2 4.25Å; L119-V121 HydrophobicContact CG-CG2 4.06Å; L119-F138 HydrophobicContact CD2-CD1 4.35Å; L119-F138 HydrophobicContact CD2-CE1 4.04Å
120I97.2Very high90Very high0 Ų032 Ų320%018%0.181CC..EExtended strand (participates in β ladder)trans-85.9123.6173.5-49.9-54000108.2I8 V10 A23 L26 A27 L30 V36 G37 I38 L39I8-I120 HydrophobicContact CB-CD1 3.72Å; I8-I120 HydrophobicContact CG1-CD1 3.87Å; I8-I120 HydrophobicContact CG2-CD1 4.42Å; I8-I120 WeakPolarHBondContact O-CA 3.32Å; V10-I120 HydrophobicContact CG2-CG2 3.63Å; A23-I120 HydrophobicContact CB-CG2 4Å; L26-I120 HydrophobicContact CD2-CD1 4.19Å; L26-I120 HydrophobicContact CG-CD1 4.44Å; A27-I120 HydrophobicContact CB-CG1 4.12Å; L30-I120 HydrophobicContact CD1-CD1 3.99Å; V36-I120 HydrophobicContact CG1-CG1 4.14Å; G37-I120 PolarHBondContact O-N 3.25Å; I38-I120 CarbonylContact C-O 3.53Å; I38-I120 VanDerWaalsContact CA-O 3.27Å; I38-I120 WeakPolarHBondContact CA-O 3.35Å; I38-I120 HydrophobicContact CB-CB 4.48Å; I38-I120 HydrophobicContact CG1-CB 4.32Å; L39-I120 PolarHBondContact N-O 2.96Å
121V96.1Very high89.6Confident0 Ų030.1 Ų30.10%017%0.167CC..EExtended strand (participates in β ladder)trans-112.1112.3178.7179.90000108.5V7 I8 L9 V10 L39 A41 L119 A123 I134 F138V7-V121 HydrophobicContact CG1-CG2 3.91Å; I8-V121 PolarHBondContact O-N 3.28Å; L9-V121 HydrophobicContact CD2-CB 3.95Å; L9-V121 HydrophobicContact CD2-CG1 4.07Å; L9-V121 HydrophobicContact CD2-CG2 4.39Å; V10-V121 PolarHBondContact N-O 3.21Å; L39-V121 HydrophobicContact CB-CG2 4.42Å; L39-V121 HydrophobicContact CD2-CG1 4.38Å; A41-V121 HydrophobicContact CB-CG1 4.15Å; L119-V121 HydrophobicContact CD2-CG2 4.25Å; L119-V121 HydrophobicContact CG-CG2 4.06Å; V121-A123 PolarHBondContact O-N 2.88Å; V121-I134 HydrophobicContact CG1-CG2 3.84Å; V121-F138 HydrophobicContact CG2-CD1 3.94Å; V121-F138 HydrophobicContact CG2-CE1 4.18Å; V121-F138 HydrophobicContact CG2-CG 4.31Å
122D95.6Very high89.1Confident0 Ų032.3 Ų32.30%018%0.178CC..EExtended strand (participates in β ladder)trans-8394.8174.3-172.434000109.2K19 S20 A23 L39 A41 V48K19-D122 WeakPolarHBondContact CG-OD1 3.4Å; K19-D122 VanDerWaalsContact NZ-CG 3.26Å; K19-D122 IonicContact NZ-OD1 3.03Å; K19-D122 PolarHBondContact NZ-OD1 3Å; K19-D122 IonicContact NZ-OD2 2.77Å; K19-D122 PolarHBondContact NZ-OD2 3.39Å; S20-D122 WeakPolarHBondContact CA-OD2 3.48Å; S20-D122 WeakPolarHBondContact CB-OD2 3.4Å; S20-D122 PolarHBondContact OG-OD1 3.13Å; S20-D122 PolarHBondContact OG-OD2 3.41Å; A23-D122 HydrophobicContact CB-CB 4Å; L39-D122 PolarHBondContact O-N 3.48Å; A41-D122 WeakPolarHBondContact CA-O 3.4Å; A41-D122 WeakPolarHBondContact CB-O 3.47Å; A41-D122 PolarHBondContact N-O 3.4Å; V48-D122 HydrophobicContact CG2-CB 4.44Å
123A93.3Very high88.8Confident0 Ų031.4 Ų31.40%017%0.169CC..PPolyproline II helixtrans-77156.5-174.200000112V10 L11 K19 V121 I134V10-A123 PolarHBondContact O-N 3.26Å; L11-A123 HydrophobicContact CD2-CB 3.4Å; L11-A123 VanDerWaalsContact CD2-CB 3.4Å; K19-A123 VanDerWaalsContact CD-O 3.3Å; K19-A123 WeakPolarHBondContact CD-O 3.25Å; K19-A123 WeakPolarHBondContact CE-O 3.45Å; K19-A123 PolarHBondContact NZ-O 3.45Å; V121-A123 PolarHBondContact O-N 2.88Å; A123-I134 HydrophobicContact CB-CG2 4.37Å
124P91.4Very high88.6Confident8 Ų830.8 Ų30.85%0.05217%0.167CC..PPolyproline II helixtrans-64.7155.1169.928.6-34.2000110.8E130 H131 I134P124-E130 HydrophobicContact CG-CB 3.85Å; P124-H131 HydrophobicContact CG-CB 4.12Å; P124-H131 PolarHBondContact O-ND1 3.15Å; P124-I134 HydrophobicContact CG-CD1 3.7Å
125P88.9Confident88.2Confident38 Ų3827 Ų2725%0.24715%0.149CC..SBendtrans-72.1155.5-178.930.2-35.5000113.2S12 K14S12-P125 CarbonylContact O-C 3.6Å; S12-P125 WeakPolarHBondContact O-CA 3.3Å; K14-P125 VanDerWaalsContact C-CB 3.42Å; K14-P125 WeakPolarHBondContact O-CB 3.39Å
126G82.9Confident87.8Confident16 Ų1627.2 Ų27.217%0.16515%0.152CC..SBendtrans73.3-159.9173.300000113.4S12 G13 H131S12-G126 PolarHBondContact O-N 3.46Å; G13-G126 VanDerWaalsContact O-CA 3.23Å; G13-G126 WeakPolarHBondContact O-CA 3.48Å; G13-G126 PolarHBondContact O-N 3.1Å; G126-H131 WeakPolarHBondContact O-CB 3.32Å; G126-H131 PolarHBondContact O-CE1 3.4Å; G126-H131 PolarHBondContact O-ND1 2.55Å
127T73.5Confident87.4Confident74 Ų7428.5 Ų28.545%0.45416%0.16SC..SBendtrans-108.143.9-178.245.50000111.4
128S74.8Confident86.9Confident36 Ų3626.7 Ų26.725%0.25215%0.15SC..  trans-69.3162179.457.80000112.5E130 H131 I132S128-E130 WeakPolarHBondContact CB-OE2 3.43Å; S128-E130 PolarHBondContact O-N 3.47Å; S128-H131 WeakPolarHBondContact O-CB 3.39Å; S128-H131 PolarHBondContact O-N 3.43Å; S128-H131 WeakPolarHBondContact OG-CB 3.49Å; S128-H131 PolarHBondContact OG-N 2.94Å; S128-I132 WeakPolarHBondContact O-CG1 3.5Å; S128-I132 PolarHBondContact O-N 2.77Å
129D75.7Confident86Confident112 Ų11227.2 Ų27.260%0.59916%0.156SC*.Hα-helixtrans-57.7-34.9175.4-73.3-21.3000111.4S133D129-S133 WeakPolarHBondContact O-CB 3.39Å; D129-S133 PolarHBondContact O-N 2.83Å; D129-S133 PolarHBondContact O-OG 2.85Å
130E80.5Confident85Confident33 Ų3333.8 Ų33.815%0.15419%0.192CC..Hα-helixtrans-65-44.2174.3-60.692.1158.700111.4K100 I104 P124 S128 S133 I134K100-E130 HydrophobicContact CB-CG 4.22Å; K100-E130 HydrophobicContact CD-CG 3.81Å; K100-E130 WeakPolarHBondContact CD-OE1 3.43Å; K100-E130 WeakPolarHBondContact CE-OE1 3.2Å; K100-E130 IonicContact NZ-OE1 2.68Å; K100-E130 PolarHBondContact NZ-OE1 3.45Å; I104-E130 HydrophobicContact CD1-CB 4.16Å; P124-E130 HydrophobicContact CG-CB 3.85Å; S128-E130 WeakPolarHBondContact CB-OE2 3.43Å; S128-E130 PolarHBondContact O-N 3.47Å; E130-S133 PolarHBondContact O-N 3.39Å; E130-I134 WeakPolarHBondContact O-CD1 3.28Å; E130-I134 WeakPolarHBondContact O-CG1 3.45Å; E130-I134 PolarHBondContact O-N 2.78Å
131H81.9Confident83.9Confident0 Ų035.8 Ų35.80%020%0.202CC..Hα-helixtrans-60.7-46.9177.3-176.2102.7000111.5P124 G126 S128 S133 I134 V135 E169 F172P124-H131 HydrophobicContact CG-CB 4.12Å; P124-H131 PolarHBondContact O-ND1 3.15Å; G126-H131 WeakPolarHBondContact O-CB 3.32Å; G126-H131 PolarHBondContact O-CE1 3.4Å; G126-H131 PolarHBondContact O-ND1 2.55Å; S128-H131 WeakPolarHBondContact O-CB 3.39Å; S128-H131 PolarHBondContact O-N 3.43Å; S128-H131 WeakPolarHBondContact OG-CB 3.49Å; S128-H131 PolarHBondContact OG-N 2.94Å; H131-S133 VanDerWaalsContact C-N 3.35Å; H131-S133 PolarHBondContact O-N 2.8Å; H131-I134 PolarHBondContact O-N 2.85Å; H131-V135 PolarHBondContact O-N 2.8Å; H131-E169 IonicContact CE1-OE1 3.94Å; H131-E169 PolarHBondContact CE1-OE1 3.42Å; H131-E169 IonicContact CE1-OE2 3Å; H131-E169 IonicContact NE2-OE1 2.61Å; H131-E169 PolarHBondContact NE2-OE1 2.89Å; H131-E169 IonicContact NE2-OE2 2.99Å; H131-F172 AromaticContact CD2-CE1 3.5Å; H131-F172 VanDerWaalsContact CD2-CE1 3.5Å; H131-F172 WeakPolarHBondContact CD2-CE1 3.5Å; H131-F172 AromaticContact CD2-CZ 3.8Å; H131-F172 AromaticContact NE2-CD1 3.62Å; H131-F172 AromaticContact NE2-CE1 3.28Å; H131-F172 VanDerWaalsContact NE2-CE1 3.28Å; H131-F172 WeakPolarHBondContact NE2-CE1 2.69Å
132I83.9Confident82.7Confident56 Ų5646.9 Ų46.929%0.28724%0.244SC..Hα-helixtrans-59.8-47.4176.2-63.3170000110.1S128 I134 V135 E136 F172S128-I132 WeakPolarHBondContact O-CG1 3.5Å; S128-I132 PolarHBondContact O-N 2.77Å; I132-I134 VanDerWaalsContact C-N 3.34Å; I132-I134 PolarHBondContact O-N 2.87Å; I132-V135 PolarHBondContact O-N 2.8Å; I132-E136 HydrophobicContact CG2-CG 4.22Å; I132-E136 WeakPolarHBondContact O-CB 3.35Å; I132-E136 WeakPolarHBondContact O-CG 3.38Å; I132-E136 PolarHBondContact O-N 2.86Å; I132-F172 HydrophobicContact CG1-CE2 3.96Å; I132-F172 HydrophobicContact CG1-CZ 4.34Å
133S86Confident82.3Confident16 Ų1649.8 Ų49.811%0.11226%0.264CS..Hα-helixtrans-61.5-40.5-179.5-62.40000112.6N101 D129 E130 H131 V137N101-S133 VanDerWaalsContact CG-OG 3.28Å; N101-S133 PolarHBondContact ND2-OG 3.47Å; N101-S133 PolarHBondContact OD1-OG 2.99Å; D129-S133 WeakPolarHBondContact O-CB 3.39Å; D129-S133 PolarHBondContact O-N 2.83Å; D129-S133 PolarHBondContact O-OG 2.85Å; E130-S133 PolarHBondContact O-N 3.39Å; H131-S133 VanDerWaalsContact C-N 3.35Å; H131-S133 PolarHBondContact O-N 2.8Å; S133-V137 VanDerWaalsContact O-CB 3.28Å; S133-V137 WeakPolarHBondContact O-CB 3.27Å; S133-V137 WeakPolarHBondContact O-CG2 3.18Å; S133-V137 PolarHBondContact O-N 2.92Å
134I87.3Confident82.2Confident0 Ų050.6 Ų50.60%027%0.27CS..Hα-helixtrans-63.9-49.8176.2-74.8155.8000109.8L9 A41 I104 V121 A123 P124 E130 H131 I132 E136 V137 F138L9-I134 HydrophobicContact CD2-CG2 4.18Å; A41-I134 HydrophobicContact CB-CD1 3.37Å; A41-I134 HydrophobicContact CB-CG1 3.97Å; I104-I134 HydrophobicContact CB-CG1 4.44Å; I104-I134 HydrophobicContact CD1-CD1 4.1Å; I104-I134 HydrophobicContact CD1-CG1 3.82Å; I104-I134 HydrophobicContact CG1-CD1 4.31Å; I104-I134 HydrophobicContact CG1-CG1 3.89Å; I104-I134 HydrophobicContact CG2-CB 4.48Å; I104-I134 HydrophobicContact CG2-CG1 3.66Å; V121-I134 HydrophobicContact CG1-CG2 3.84Å; A123-I134 HydrophobicContact CB-CG2 4.37Å; P124-I134 HydrophobicContact CG-CD1 3.7Å; E130-I134 WeakPolarHBondContact O-CD1 3.28Å; E130-I134 WeakPolarHBondContact O-CG1 3.45Å; E130-I134 PolarHBondContact O-N 2.78Å; H131-I134 PolarHBondContact O-N 2.85Å; I132-I134 VanDerWaalsContact C-N 3.34Å; I132-I134 PolarHBondContact O-N 2.87Å; I134-E136 VanDerWaalsContact C-N 3.34Å; I134-E136 PolarHBondContact O-N 2.9Å; I134-V137 PolarHBondContact O-N 2.8Å; I134-F138 HydrophobicContact CB-CD2 4.44Å; I134-F138 HydrophobicContact CG2-CD2 3.86Å; I134-F138 HydrophobicContact CG2-CE2 4.42Å; I134-F138 WeakPolarHBondContact O-CB 3.45Å; I134-F138 VanDerWaalsContact O-CD2 3.24Å; I134-F138 WeakPolarHBondContact O-CD2 3.34Å; I134-F138 PolarHBondContact O-N 2.83Å
135V84.5Confident82.4Confident1 Ų150.3 Ų50.31%0.00627%0.268CS..Hα-helixtrans-61.1-44.4179.31580000111.4L9 L11 H131 I132 V137 S139 F172 A176 I178L9-V135 HydrophobicContact CD1-CG2 4.1Å; L11-V135 HydrophobicContact CD2-CG2 4.39Å; H131-V135 PolarHBondContact O-N 2.8Å; I132-V135 PolarHBondContact O-N 2.8Å; V135-V137 PolarHBondContact O-N 3.1Å; V135-S139 WeakPolarHBondContact O-CA 3.23Å; V135-S139 WeakPolarHBondContact O-CB 3.36Å; V135-S139 PolarHBondContact O-N 2.82Å; V135-S139 PolarHBondContact O-OG 2.94Å; V135-F172 HydrophobicContact CB-CE1 3.63Å; V135-F172 HydrophobicContact CB-CZ 3.57Å; V135-F172 HydrophobicContact CG1-CE1 3.46Å; V135-F172 VanDerWaalsContact CG1-CE1 3.46Å; V135-F172 HydrophobicContact CG1-CE2 4.48Å; V135-F172 HydrophobicContact CG1-CZ 3.38Å; V135-F172 HydrophobicContact CG2-CE1 3.44Å; V135-F172 VanDerWaalsContact CG2-CE1 3.44Å; V135-F172 HydrophobicContact CG2-CZ 3.9Å; V135-A176 HydrophobicContact CG1-CB 3.73Å; V135-I178 HydrophobicContact CB-CD1 4.27Å; V135-I178 HydrophobicContact CG1-CD1 3.35Å; V135-I178 HydrophobicContact CG2-CD1 4.25Å
136E85.6Confident82.7Confident118 Ų11848.5 Ų48.555%0.55126%0.256SS*.Hα-helixtrans-62.1-41175.4-73.1178.8173.100113I132 I134 N140I132-E136 HydrophobicContact CG2-CG 4.22Å; I132-E136 WeakPolarHBondContact O-CB 3.35Å; I132-E136 WeakPolarHBondContact O-CG 3.38Å; I132-E136 PolarHBondContact O-N 2.86Å; I134-E136 VanDerWaalsContact C-N 3.34Å; I134-E136 PolarHBondContact O-N 2.9Å; E136-N140 PolarHBondContact O-ND2 2.98Å
137V87.1Confident83.3Confident33 Ų3347.7 Ų47.720%0.225%0.248CC..Hα-helixtrans-72.7-41.5-178.3168.50000111.5I104 K105 A108 S133 I134 V135I104-V137 HydrophobicContact CG2-CB 4.34Å; I104-V137 HydrophobicContact CG2-CG2 4.26Å; K105-V137 HydrophobicContact CG-CG2 4.08Å; A108-V137 HydrophobicContact CB-CG1 3.28Å; S133-V137 VanDerWaalsContact O-CB 3.28Å; S133-V137 WeakPolarHBondContact O-CB 3.27Å; S133-V137 WeakPolarHBondContact O-CG2 3.18Å; S133-V137 PolarHBondContact O-N 2.92Å; I134-V137 PolarHBondContact O-N 2.8Å; V135-V137 PolarHBondContact O-N 3.1Å
138F85.1Confident84.3Confident1 Ų144.3 Ų44.30%0.00423%0.228CC..Hα-helixtrans-92.5-25.3-173.1-71.9-85.8000113.2M1 V7 L9 L39 I104 A108 L119 V121 I134 N140 L141 S144M1-F138 HydrophobicContact CE-CD1 3.75Å; M1-F138 HydrophobicContact CE-CE1 3.49Å; M1-F138 VanDerWaalsContact CE-CE1 3.49Å; M1-F138 HydrophobicContact CE-CZ 4.23Å; M1-F138 HydrophobicContact SD-CD1 3.96Å; M1-F138 HydrophobicContact SD-CE1 3.64Å; V7-F138 HydrophobicContact CG1-CB 4.38Å; V7-F138 HydrophobicContact CG1-CD1 4.41Å; L9-F138 HydrophobicContact CD2-CB 3.96Å; L39-F138 HydrophobicContact CD2-CE1 3.75Å; L39-F138 HydrophobicContact CD2-CE2 3.86Å; L39-F138 HydrophobicContact CD2-CZ 3.17Å; I104-F138 HydrophobicContact CG2-CE2 4.29Å; A108-F138 HydrophobicContact CB-CE1 4.38Å; A108-F138 HydrophobicContact CB-CE2 4.44Å; A108-F138 HydrophobicContact CB-CZ 3.96Å; L119-F138 HydrophobicContact CD2-CD1 4.35Å; L119-F138 HydrophobicContact CD2-CE1 4.04Å; V121-F138 HydrophobicContact CG2-CD1 3.94Å; V121-F138 HydrophobicContact CG2-CE1 4.18Å; V121-F138 HydrophobicContact CG2-CG 4.31Å; I134-F138 HydrophobicContact CB-CD2 4.44Å; I134-F138 HydrophobicContact CG2-CD2 3.86Å; I134-F138 HydrophobicContact CG2-CE2 4.42Å; I134-F138 WeakPolarHBondContact O-CB 3.45Å; I134-F138 VanDerWaalsContact O-CD2 3.24Å; I134-F138 WeakPolarHBondContact O-CD2 3.34Å; I134-F138 PolarHBondContact O-N 2.83Å; F138-N140 VanDerWaalsContact C-N 3.31Å; F138-N140 PolarHBondContact O-N 3.47Å; F138-L141 HydrophobicContact CB-CD1 4.24Å; F138-L141 HydrophobicContact CD1-CD1 3.73Å; F138-L141 HydrophobicContact CG-CD1 4.37Å; F138-L141 WeakPolarHBondContact O-CB 3.44Å; F138-L141 WeakPolarHBondContact O-CD1 3.41Å; F138-L141 VanDerWaalsContact O-CG 3.29Å; F138-L141 WeakPolarHBondContact O-CG 3.28Å; F138-L141 PolarHBondContact O-N 3.14Å; F138-S144 PolarHBondContact O-OG 3.36Å
139S78.9Confident85.3Confident29 Ų2942.8 Ų42.820%0.20322%0.216CC..Hα-helixtrans-70.4-27.7176.671.80000113.3V135 L141V135-S139 WeakPolarHBondContact O-CA 3.23Å; V135-S139 WeakPolarHBondContact O-CB 3.36Å; V135-S139 PolarHBondContact O-N 2.82Å; V135-S139 PolarHBondContact O-OG 2.94Å; S139-L141 PolarHBondContact O-N 2.82Å; S139-L141 VanDerWaalsContact O-N 3.1Å
140N74.9Confident86Confident139 Ų13937.6 Ų37.674%0.74319%0.189SC*.THydrogen-bonded Turntrans-70.30.6176.4-77.6-44.2000113.4E136 F138E136-N140 PolarHBondContact O-ND2 2.98Å; F138-N140 VanDerWaalsContact C-N 3.31Å; F138-N140 PolarHBondContact O-N 3.47Å
141L74.8Confident86.4Confident41 Ų4136.5 Ų36.522%0.21519%0.185CC..SBendtrans-87.3150.4176.8-55.7168.6000110.6M1 V7 F138 S139 S143 S144M1-L141 HydrophobicContact CB-CD1 4.47Å; M1-L141 HydrophobicContact CB-CD2 3.87Å; M1-L141 HydrophobicContact CE-CD1 3.3Å; M1-L141 HydrophobicContact CE-CD2 3.86Å; M1-L141 HydrophobicContact CE-CG 4.12Å; M1-L141 HydrophobicContact SD-CD1 3.4Å; M1-L141 WeakPolarHBondContact SD-CD1 3.19Å; M1-L141 HydrophobicContact SD-CD2 4.4Å; V7-L141 HydrophobicContact CG2-CB 4.23Å; V7-L141 HydrophobicContact CG2-CD1 3.81Å; F138-L141 HydrophobicContact CB-CD1 4.24Å; F138-L141 HydrophobicContact CD1-CD1 3.73Å; F138-L141 HydrophobicContact CG-CD1 4.37Å; F138-L141 WeakPolarHBondContact O-CB 3.44Å; F138-L141 WeakPolarHBondContact O-CD1 3.41Å; F138-L141 VanDerWaalsContact O-CG 3.29Å; F138-L141 WeakPolarHBondContact O-CG 3.28Å; F138-L141 PolarHBondContact O-N 3.14Å; S139-L141 PolarHBondContact O-N 2.82Å; S139-L141 VanDerWaalsContact O-N 3.1Å; L141-S143 VanDerWaalsContact C-N 3.29Å; L141-S143 PolarHBondContact O-N 2.92Å; L141-S144 PolarHBondContact O-OG 3.4Å; L141-S144 VanDerWaalsContact O-OG 3.07Å
142R69.4Low86.4Confident234 Ų23436.6 Ų36.688%0.88319%0.185SC*.SBendtrans-42.1-48.6-164.4-75.2-172.8172.5-177.7-1.5115.1
143S87.8Confident86.1Confident61 Ų6137.3 Ų37.343%0.42719%0.187SC..SBendtrans-134.3103.1-179.6-59.60000108.9C6 V7 L141C6-S143 CarbonylContact C-O 3.56Å; C6-S143 WeakPolarHBondContact CA-O 3.44Å; V7-S143 PolarHBondContact N-O 3.3Å; L141-S143 VanDerWaalsContact C-N 3.29Å; L141-S143 PolarHBondContact O-N 2.92Å
144S92Very high85.2Confident17 Ų1736.9 Ų36.912%0.11918%0.184CC..EExtended strand (participates in β ladder)trans-125.5134.8-177.7-55.50000110.3V7 F138 L141 P179V7-S144 CarbonylContact O-C 3.46Å; V7-S144 WeakPolarHBondContact O-CA 3.38Å; F138-S144 PolarHBondContact O-OG 3.36Å; L141-S144 PolarHBondContact O-OG 3.4Å; L141-S144 VanDerWaalsContact O-OG 3.07Å; S144-P179 WeakPolarHBondContact O-CD 3.3Å
145S94.5Very high84.1Confident1 Ų136.9 Ų36.91%0.00718%0.184CC..EExtended strand (participates in β ladder)trans-144.3164.8177.2650000110.9V7 I8 L9 P179 L181V7-S145 PolarHBondContact O-N 3.26Å; I8-S145 WeakPolarHBondContact CA-O 3.42Å; I8-S145 WeakPolarHBondContact CD1-OG 3.47Å; L9-S145 PolarHBondContact N-O 3.07Å; S145-P179 CarbonylContact C-O 3.56Å; S145-P179 VanDerWaalsContact CA-O 3.3Å; S145-P179 WeakPolarHBondContact CA-O 3.41Å; S145-P179 WeakPolarHBondContact CB-O 3.34Å; S145-L181 VanDerWaalsContact OG-CD1 3.3Å; S145-L181 WeakPolarHBondContact OG-CD1 3.3Å; S145-L181 WeakPolarHBondContact OG-CG 3.47Å
146A94.8Very high82.9Confident0 Ų045.4 Ų45.40%022%0.217CC..EExtended strand (participates in β ladder)trans-120.2139-175.300000113.1L9 L11 I178 P179 V180 L181L9-A146 HydrophobicContact CB-CB 4.36Å; L9-A146 CarbonylContact O-C 3.5Å; L9-A146 VanDerWaalsContact O-CA 3.27Å; L9-A146 WeakPolarHBondContact O-CA 3.46Å; L11-A146 HydrophobicContact CD1-CB 3.87Å; L11-A146 HydrophobicContact CG-CB 4.44Å; A146-I178 HydrophobicContact CB-CG2 3.74Å; A146-P179 PolarHBondContact N-O 3.41Å; A146-V180 CarbonylContact O-C 3.59Å; A146-V180 WeakPolarHBondContact O-CA 3.4Å; A146-L181 PolarHBondContact O-N 3.43Å
147I96.6Very high81.1Confident0 Ų046.2 Ų46.20%022%0.215CC..EExtended strand (participates in β ladder)trans-108.9126.1164-67.1176.3000107.4I8 L9 L11 L26 V149 L181 I184 L219 I254I8-I147 HydrophobicContact CG2-CD1 3.73Å; I8-I147 HydrophobicContact CG2-CG1 3.92Å; L9-I147 PolarHBondContact O-N 2.84Å; L11-I147 PolarHBondContact N-O 2.93Å; L26-I147 HydrophobicContact CD2-CD1 3.74Å; I147-V149 HydrophobicContact CG2-CG2 4.49Å; I147-L181 HydrophobicContact CD1-CD1 4.41Å; I147-L181 HydrophobicContact CG1-CB 4.12Å; I147-L181 HydrophobicContact CG1-CD1 4.1Å; I147-I184 HydrophobicContact CG2-CD1 3.56Å; I147-I184 HydrophobicContact CG2-CG1 4.18Å; I147-L219 HydrophobicContact CD1-CD1 4.5Å; I147-L219 HydrophobicContact CG1-CD1 4.22Å; I147-L219 HydrophobicContact CG2-CD1 4.09Å; I147-I254 HydrophobicContact CD1-CG2 3.89Å
148L95.2Very high79.2Confident3 Ų350.6 Ų50.62%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-96133.7178.1-55.4-172.3000109.8L11 E169 I170 V180 G182 L183 I184 I216L11-L148 HydrophobicContact CB-CD2 3.83Å; L11-L148 HydrophobicContact CD1-CD2 4.19Å; L11-L148 HydrophobicContact CG-CD2 4.44Å; L148-E169 HydrophobicContact CD1-CG 4.42Å; L148-E169 HydrophobicContact CD2-CG 3.6Å; L148-I170 HydrophobicContact CD1-CD1 4.4Å; L148-I170 HydrophobicContact CD1-CG1 3.48Å; L148-I170 VanDerWaalsContact CD1-CG1 3.48Å; L148-V180 HydrophobicContact CD1-CG1 4.03Å; L148-V180 HydrophobicContact CG-CG1 3.95Å; L148-G182 PolarHBondContact N-O 2.77Å; L148-L183 HydrophobicContact CB-CD1 3.51Å; L148-L183 CarbonylContact O-C 3.52Å; L148-L183 WeakPolarHBondContact O-CA 3.42Å; L148-I184 PolarHBondContact O-N 3.3Å; L148-I216 HydrophobicContact CD1-CD1 4.25Å
149V94.3Very high77.3Confident3 Ų357.2 Ų57.22%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-117.6131176.2-1730000109.4V10 L11 S12 V17 K19 I22 I147 N186V10-V149 HydrophobicContact CG1-CG2 3.78Å; L11-V149 PolarHBondContact O-N 3.19Å; S12-V149 VanDerWaalsContact CB-O 3.3Å; S12-V149 WeakPolarHBondContact CB-O 3.41Å; V17-V149 HydrophobicContact CG2-CB 4.34Å; V17-V149 HydrophobicContact CG2-CG1 4.04Å; K19-V149 HydrophobicContact CB-CB 4.49Å; I22-V149 HydrophobicContact CB-CG2 4.23Å; I22-V149 HydrophobicContact CG1-CG1 4.12Å; I22-V149 HydrophobicContact CG1-CG2 4.27Å; I22-V149 HydrophobicContact CG2-CG2 4.25Å; I147-V149 HydrophobicContact CG2-CG2 4.49Å; V149-N186 HydrophobicContact CG1-CB 4.08Å
150T91.2Very high76Confident4 Ų459.1 Ų59.13%0.02529%0.289CS..EExtended strand (participates in β ladder)trans-144.9174.2178.4-166.80000111L155 V166 L183 I184 N186T150-L155 HydrophobicContact CG2-CD1 3.51Å; T150-L155 HydrophobicContact CG2-CD2 4Å; T150-L155 HydrophobicContact CG2-CG 3.78Å; T150-V166 HydrophobicContact CG2-CG2 4.25Å; T150-V166 VanDerWaalsContact OG1-CG2 3.27Å; T150-V166 WeakPolarHBondContact OG1-CG2 3.11Å; T150-L183 HydrophobicContact CG2-CD1 3.76Å; T150-L183 HydrophobicContact CG2-CD2 4.14Å; T150-L183 HydrophobicContact CG2-CG 4.11Å; T150-I184 PolarHBondContact N-O 2.65Å; T150-N186 PolarHBondContact O-N 3.13Å
151T88.8Confident74.5Confident10 Ų1059.2 Ų59.26%0.06129%0.289CS..  trans-121.2158.1173.565.20000111.3V17 Q153 A154 L155 N186 M187V17-T151 HydrophobicContact CB-CG2 3.81Å; V17-T151 HydrophobicContact CG1-CG2 3.98Å; T151-Q153 PolarHBondContact O-N 3.39Å; T151-Q153 PolarHBondContact OG1-OE1 3.05Å; T151-A154 WeakPolarHBondContact O-CB 3.35Å; T151-A154 PolarHBondContact O-N 3.12Å; T151-L155 WeakPolarHBondContact O-CG 3.36Å; T151-L155 PolarHBondContact O-N 3.28Å; T151-N186 WeakPolarHBondContact CA-O 3.42Å; T151-M187 HydrophobicContact CG2-CB 4.26Å; T151-M187 HydrophobicContact CG2-CG 4.27Å; T151-M187 HydrophobicContact CG2-SD 3.98Å
152P82.1Confident73.2Confident1 Ų159 Ų591%0.00629%0.29CS..THydrogen-bonded Turntrans-58-31.5177.7-18.622.7000113.8A154 L155 R156 E185 N186 F202 S203P152-A154 VanDerWaalsContact C-N 3.3Å; P152-A154 PolarHBondContact O-N 3.27Å; P152-L155 PolarHBondContact O-N 2.78Å; P152-R156 PolarHBondContact O-N 3Å; P152-E185 HydrophobicContact CG-CG 4.02Å; P152-N186 WeakPolarHBondContact CD-O 3.29Å; P152-F202 HydrophobicContact CB-CB 4.18Å; P152-S203 VanDerWaalsContact CB-O 3.31Å; P152-S203 WeakPolarHBondContact CB-O 3.29Å
153Q76.9Confident72.6Confident72 Ų7249.2 Ų49.234%0.33626%0.255SS..THydrogen-bonded Turntrans-68.3-34178-4384.319.300111.6T151 L155 F202T151-Q153 PolarHBondContact O-N 3.39Å; T151-Q153 PolarHBondContact OG1-OE1 3.05Å; Q153-L155 PolarHBondContact O-N 3.38Å; Q153-F202 HydrophobicContact CG-CD1 3.6Å; Q153-F202 HydrophobicContact CG-CD2 3.81Å; Q153-F202 HydrophobicContact CG-CE1 3.5Å; Q153-F202 HydrophobicContact CG-CE2 3.72Å; Q153-F202 HydrophobicContact CG-CG 3.73Å; Q153-F202 HydrophobicContact CG-CZ 3.55Å
154A66.4Low71.8Confident6 Ų649 Ų495%0.0525%0.249CC..THydrogen-bonded Turntrans-72.2-17172.500000112.5K14 T151 P152K14-A154 HydrophobicContact CD-CB 4.43Å; T151-A154 WeakPolarHBondContact O-CB 3.35Å; T151-A154 PolarHBondContact O-N 3.12Å; P152-A154 VanDerWaalsContact C-N 3.3Å; P152-A154 PolarHBondContact O-N 3.27Å
155L65.8Low71.2Confident0 Ų050.3 Ų50.30%025%0.254CS..THydrogen-bonded Turntrans-9911.1-177.7-69.3170.3000114.2T150 T151 P152 Q153 Y157 V166 E185 S206 L210T150-L155 HydrophobicContact CG2-CD1 3.51Å; T150-L155 HydrophobicContact CG2-CD2 4Å; T150-L155 HydrophobicContact CG2-CG 3.78Å; T151-L155 WeakPolarHBondContact O-CG 3.36Å; T151-L155 PolarHBondContact O-N 3.28Å; P152-L155 PolarHBondContact O-N 2.78Å; Q153-L155 PolarHBondContact O-N 3.38Å; L155-Y157 PolarHBondContact O-N 2.54Å; L155-V166 HydrophobicContact CD2-CG2 4.06Å; L155-E185 HydrophobicContact CD1-CG 4.02Å; L155-E185 VanDerWaalsContact CD1-OE2 3.28Å; L155-E185 WeakPolarHBondContact CD1-OE2 3.47Å; L155-S206 WeakPolarHBondContact CB-OG 3.31Å; L155-L210 HydrophobicContact CD2-CB 4.47Å; L155-L210 HydrophobicContact CD2-CD2 3.44Å; L155-L210 VanDerWaalsContact CD2-CD2 3.44Å
156R57.8Low70.7Confident181 Ų18150.5 Ų50.568%0.68326%0.256SS*.  trans-47134.7-171.8-178.8171.8177.6157.9-0.3113P152 S162P152-R156 PolarHBondContact O-N 3Å; R156-S162 WeakPolarHBondContact CB-OG 3.46Å; R156-S162 PolarHBondContact O-OG 3.05Å
157Y48.2Very low70.1Confident135 Ų13553.8 Ų53.853%0.52927%0.268SS..  trans-75.8153.3-163.5-167.7-117.2000115.8L155 L159L155-Y157 PolarHBondContact O-N 2.54Å; Y157-L159 PolarHBondContact O-N 3.3Å
158L48.6Very low69.6Low125 Ų12560 Ų6065%0.65429%0.291SS*.SBendtrans66.7-2.3157.7-130.398.7000124.3
159L44.1Very low69.2Low139 Ų13960 Ų6073%0.72829%0.291SS*.SBendtrans-139.5130.2162.2-72.1171.4000107.7Y157 I161Y157-L159 PolarHBondContact O-N 3.3Å; L159-I161 PolarHBondContact O-N 3.33Å
160A51.3Low69Low70 Ų7060.9 Ų60.958%0.57930%0.296SS*.THydrogen-bonded Turntrans-38.9-9.4-163.500000120
161I44.7Very low68.8Low141 Ų14164 Ų6472%0.72332%0.315SS*.THydrogen-bonded Turntrans-78.6-33.2-163-50168.5000113.2L159L159-I161 PolarHBondContact O-N 3.33Å
162S47.4Very low68.8Low35 Ų3565.3 Ų65.325%0.24532%0.32CS..SBendtrans-95-23.6-174.630.20000115.1R156 D164R156-S162 WeakPolarHBondContact CB-OG 3.46Å; R156-S162 PolarHBondContact O-OG 3.05Å; S162-D164 PolarHBondContact O-N 3.03Å; S162-D164 VanDerWaalsContact O-N 3.14Å
163M56.8Low69.2Low30 Ų3065.2 Ų65.215%0.14832%0.319CS..THydrogen-bonded Turntrans-71-2.5174.6-71.3-175.9163.400113.2D165 R167 L210M163-D165 PolarHBondContact O-N 3.45Å; M163-R167 HydrophobicContact CB-CG 4.19Å; M163-R167 VanDerWaalsContact O-CB 3.23Å; M163-R167 WeakPolarHBondContact O-CB 3.29Å; M163-R167 VanDerWaalsContact O-CG 3.28Å; M163-R167 WeakPolarHBondContact O-CG 3.48Å; M163-R167 PolarHBondContact O-N 3.16Å; M163-R167 PolarHBondContact SD-NH1 3.48Å; M163-L210 HydrophobicContact CE-CB 4.49Å; M163-L210 HydrophobicContact CE-CD1 4.4Å; M163-L210 HydrophobicContact SD-CD1 4.08Å
164D70.7Confident69.8Low57 Ų5765.8 Ų65.831%0.30533%0.331SS..Hα-helixtrans-55.4-47.7-171.6-93.415000112.8S162 R167 R168S162-D164 PolarHBondContact O-N 3.03Å; S162-D164 VanDerWaalsContact O-N 3.14Å; D164-R167 PolarHBondContact O-N 3.35Å; D164-R168 WeakPolarHBondContact O-CB 3.26Å; D164-R168 WeakPolarHBondContact O-CD 3.13Å; D164-R168 WeakPolarHBondContact O-CG 3.47Å; D164-R168 PolarHBondContact O-N 2.99Å; D164-R168 IonicContact OD2-CZ 3.78Å; D164-R168 IonicContact OD2-NE 3.92Å; D164-R168 IonicContact OD2-NH2 3.83Å; D164-R168 PolarHBondContact OD2-NH2 2.95Å
165D79Confident70.8Confident43 Ų4373.5 Ų73.523%0.2336%0.364CS..Hα-helixtrans-71.3-44.7-171.1-62.4-33.4000112.1K14 M163 R168 E169K14-D165 WeakPolarHBondContact CE-OD2 3.42Å; K14-D165 HydrophobicContact CG-CB 4.41Å; K14-D165 WeakPolarHBondContact CG-OD2 3.23Å; K14-D165 IonicContact NZ-OD2 2.82Å; M163-D165 PolarHBondContact O-N 3.45Å; D165-R168 PolarHBondContact O-N 2.97Å; D165-E169 WeakPolarHBondContact O-CB 3.35Å; D165-E169 PolarHBondContact O-N 3.44Å
166V83.1Confident71.8Confident6 Ų674.8 Ų74.84%0.03638%0.375CS..Hα-helixtrans-68.8-38.7177-172.70000111.1T150 L155 E169 I170 L183 L210T150-V166 HydrophobicContact CG2-CG2 4.25Å; T150-V166 VanDerWaalsContact OG1-CG2 3.27Å; T150-V166 WeakPolarHBondContact OG1-CG2 3.11Å; L155-V166 HydrophobicContact CD2-CG2 4.06Å; V166-E169 WeakPolarHBondContact O-CB 3.23Å; V166-E169 PolarHBondContact O-N 3.44Å; V166-I170 HydrophobicContact CG1-CD1 4.1Å; V166-I170 HydrophobicContact CG1-CG1 4.5Å; V166-I170 VanDerWaalsContact O-CG1 3.28Å; V166-I170 WeakPolarHBondContact O-CG1 3.4Å; V166-I170 PolarHBondContact O-N 2.89Å; V166-L183 HydrophobicContact CG1-CD1 3.87Å; V166-L210 HydrophobicContact CB-CD2 3.8Å; V166-L210 HydrophobicContact CG1-CD2 3.51Å; V166-L210 HydrophobicContact CG2-CD2 4.49Å
167R83.4Confident73.3Confident69 Ų6973.1 Ų73.126%0.2638%0.379SS..Hα-helixtrans-65.2-40.3175.8-79179.5138.6137.6-7.6112.6M163 D164 E169 I170 T171 L210 Y213M163-R167 HydrophobicContact CB-CG 4.19Å; M163-R167 VanDerWaalsContact O-CB 3.23Å; M163-R167 WeakPolarHBondContact O-CB 3.29Å; M163-R167 VanDerWaalsContact O-CG 3.28Å; M163-R167 WeakPolarHBondContact O-CG 3.48Å; M163-R167 PolarHBondContact O-N 3.16Å; M163-R167 PolarHBondContact SD-NH1 3.48Å; D164-R167 PolarHBondContact O-N 3.35Å; R167-E169 VanDerWaalsContact C-N 3.27Å; R167-I170 PolarHBondContact O-N 3.3Å; R167-T171 WeakPolarHBondContact O-CB 3.47Å; R167-T171 PolarHBondContact O-N 3.14Å; R167-T171 PolarHBondContact O-OG1 3.41Å; R167-L210 HydrophobicContact CG-CD1 4.17Å; R167-Y213 PolarHBondContact NH2-OH 2.92Å
168R85.3Confident75.3Confident129 Ų12967 Ų6749%0.48736%0.356SS..Hα-helixtrans-60.5-43174.2-76167.1-167.3-165.18.2109.8D164 D165 T171 F172D164-R168 WeakPolarHBondContact O-CB 3.26Å; D164-R168 WeakPolarHBondContact O-CD 3.13Å; D164-R168 WeakPolarHBondContact O-CG 3.47Å; D164-R168 PolarHBondContact O-N 2.99Å; D164-R168 IonicContact OD2-CZ 3.78Å; D164-R168 IonicContact OD2-NE 3.92Å; D164-R168 IonicContact OD2-NH2 3.83Å; D164-R168 PolarHBondContact OD2-NH2 2.95Å; D165-R168 PolarHBondContact O-N 2.97Å; R168-T171 PolarHBondContact O-N 2.92Å; R168-F172 WeakPolarHBondContact O-CB 3.23Å; R168-F172 PolarHBondContact O-N 3.45Å
169E88.2Confident77.5Confident3 Ų364.8 Ų64.81%0.01435%0.348CS..Hα-helixtrans-61.7-47.2176.4-158.860.3-145.600112.5L11 H131 L148 D165 V166 R167 T171 F172 C173L11-E169 HydrophobicContact CB-CG 4.24Å; L11-E169 WeakPolarHBondContact CB-OE1 3.29Å; L11-E169 VanDerWaalsContact CD1-OE1 3.27Å; L11-E169 WeakPolarHBondContact CD1-OE1 3.26Å; H131-E169 IonicContact CE1-OE1 3.94Å; H131-E169 PolarHBondContact CE1-OE1 3.42Å; H131-E169 IonicContact CE1-OE2 3Å; H131-E169 IonicContact NE2-OE1 2.61Å; H131-E169 PolarHBondContact NE2-OE1 2.89Å; H131-E169 IonicContact NE2-OE2 2.99Å; L148-E169 HydrophobicContact CD1-CG 4.42Å; L148-E169 HydrophobicContact CD2-CG 3.6Å; D165-E169 WeakPolarHBondContact O-CB 3.35Å; D165-E169 PolarHBondContact O-N 3.44Å; V166-E169 WeakPolarHBondContact O-CB 3.23Å; V166-E169 PolarHBondContact O-N 3.44Å; R167-E169 VanDerWaalsContact C-N 3.27Å; E169-T171 VanDerWaalsContact C-N 3.33Å; E169-T171 PolarHBondContact O-N 3.28Å; E169-F172 WeakPolarHBondContact O-CB 3.44Å; E169-F172 PolarHBondContact O-N 2.98Å; E169-C173 PolarHBondContact O-N 3.48Å; E169-C173 PolarHBondContact O-SG 2.86Å
170I89Confident79.8Confident23 Ų2359.4 Ų59.412%0.11832%0.322CS..Hα-helixtrans-60.3-44.9175.6-66.4166.3000110.8L148 V166 R167 F172 C173 S174 A214 I216L148-I170 HydrophobicContact CD1-CD1 4.4Å; L148-I170 HydrophobicContact CD1-CG1 3.48Å; L148-I170 VanDerWaalsContact CD1-CG1 3.48Å; V166-I170 HydrophobicContact CG1-CD1 4.1Å; V166-I170 HydrophobicContact CG1-CG1 4.5Å; V166-I170 VanDerWaalsContact O-CG1 3.28Å; V166-I170 WeakPolarHBondContact O-CG1 3.4Å; V166-I170 PolarHBondContact O-N 2.89Å; R167-I170 PolarHBondContact O-N 3.3Å; I170-F172 VanDerWaalsContact C-N 3.28Å; I170-F172 PolarHBondContact O-N 3.47Å; I170-C173 PolarHBondContact O-N 2.66Å; I170-S174 WeakPolarHBondContact O-CB 3.38Å; I170-S174 PolarHBondContact O-N 2.96Å; I170-A214 HydrophobicContact CD1-CB 3.83Å; I170-I216 HydrophobicContact CD1-CD1 3.61Å; I170-I216 HydrophobicContact CD1-CG1 4.4Å; I170-I216 HydrophobicContact CG1-CD1 3.92Å; I170-I216 HydrophobicContact CG2-CG2 4.41Å
171T87.8Confident81.9Confident68 Ų6856.8 Ų56.842%0.41730%0.298SS..Hα-helixtrans-63.9-38.2178-57.30000111.1R167 R168 E169 S174 K175R167-T171 WeakPolarHBondContact O-CB 3.47Å; R167-T171 PolarHBondContact O-N 3.14Å; R167-T171 PolarHBondContact O-OG1 3.41Å; R168-T171 PolarHBondContact O-N 2.92Å; E169-T171 VanDerWaalsContact C-N 3.33Å; E169-T171 PolarHBondContact O-N 3.28Å; T171-S174 PolarHBondContact O-N 3.04Å; T171-K175 HydrophobicContact CG2-CD 4.31Å; T171-K175 WeakPolarHBondContact O-CG 3.48Å; T171-K175 PolarHBondContact O-N 3.46Å
172F87.7Confident84.4Confident38 Ų3850.1 Ų50.117%0.16726%0.263CS..Hα-helixtrans-65.5-50.1178.1173.3-100.5000111.1H131 I132 V135 R168 E169 I170 S174 K175 A176H131-F172 AromaticContact CD2-CE1 3.5Å; H131-F172 VanDerWaalsContact CD2-CE1 3.5Å; H131-F172 WeakPolarHBondContact CD2-CE1 3.5Å; H131-F172 AromaticContact CD2-CZ 3.8Å; H131-F172 AromaticContact NE2-CD1 3.62Å; H131-F172 AromaticContact NE2-CE1 3.28Å; H131-F172 VanDerWaalsContact NE2-CE1 3.28Å; H131-F172 WeakPolarHBondContact NE2-CE1 2.69Å; I132-F172 HydrophobicContact CG1-CE2 3.96Å; I132-F172 HydrophobicContact CG1-CZ 4.34Å; V135-F172 HydrophobicContact CB-CE1 3.63Å; V135-F172 HydrophobicContact CB-CZ 3.57Å; V135-F172 HydrophobicContact CG1-CE1 3.46Å; V135-F172 VanDerWaalsContact CG1-CE1 3.46Å; V135-F172 HydrophobicContact CG1-CE2 4.48Å; V135-F172 HydrophobicContact CG1-CZ 3.38Å; V135-F172 HydrophobicContact CG2-CE1 3.44Å; V135-F172 VanDerWaalsContact CG2-CE1 3.44Å; V135-F172 HydrophobicContact CG2-CZ 3.9Å; R168-F172 WeakPolarHBondContact O-CB 3.23Å; R168-F172 PolarHBondContact O-N 3.45Å; E169-F172 WeakPolarHBondContact O-CB 3.44Å; E169-F172 PolarHBondContact O-N 2.98Å; I170-F172 VanDerWaalsContact C-N 3.28Å; I170-F172 PolarHBondContact O-N 3.47Å; F172-S174 VanDerWaalsContact C-N 3.28Å; F172-S174 PolarHBondContact O-N 2.77Å; F172-K175 PolarHBondContact O-N 3.21Å; F172-K175 VanDerWaalsContact O-N 3.15Å; F172-A176 WeakPolarHBondContact O-CB 3.46Å; F172-A176 PolarHBondContact O-N 3.46Å
173C90.5Very high86.6Confident0 Ų048.4 Ų48.40%025%0.252CS..Hα-helixtrans-55.1-44.4172.4-69.90000111.8E169 I170 K175 A176 N177 I178 V180E169-C173 PolarHBondContact O-N 3.48Å; E169-C173 PolarHBondContact O-SG 2.86Å; I170-C173 PolarHBondContact O-N 2.66Å; C173-K175 PolarHBondContact O-N 3.05Å; C173-A176 CarbonylContact O-C 3.58Å; C173-A176 PolarHBondContact O-N 3.17Å; C173-N177 PolarHBondContact O-N 2.81Å; C173-I178 HydrophobicContact CB-CB 4.34Å; C173-I178 PolarHBondContact O-N 3.37Å; C173-V180 HydrophobicContact CB-CG2 3.63Å
174S89.5Confident88.4Confident84 Ų8447 Ų4759%0.58725%0.245SC*.Hα-helixtrans-60.9-44.6177.3176.80000112.5I170 T171 F172 A176 N177I170-S174 WeakPolarHBondContact O-CB 3.38Å; I170-S174 PolarHBondContact O-N 2.96Å; T171-S174 PolarHBondContact O-N 3.04Å; F172-S174 VanDerWaalsContact C-N 3.28Å; F172-S174 PolarHBondContact O-N 2.77Å; S174-A176 VanDerWaalsContact C-N 3.33Å; S174-N177 PolarHBondContact O-N 2.97Å
175K88.1Confident89.4Confident167 Ų16744.3 Ų44.373%0.72623%0.23SC*.Hα-helixtrans-67.2-33.7176.6-75.5177.3178.2-178.90113T171 F172 C173 N177T171-K175 HydrophobicContact CG2-CD 4.31Å; T171-K175 WeakPolarHBondContact O-CG 3.48Å; T171-K175 PolarHBondContact O-N 3.46Å; F172-K175 PolarHBondContact O-N 3.21Å; F172-K175 VanDerWaalsContact O-N 3.15Å; C173-K175 PolarHBondContact O-N 3.05Å; K175-N177 PolarHBondContact O-N 3.02Å
176A87.3Confident90Very high28 Ų2842.8 Ų42.823%0.23122%0.222CC..THydrogen-bonded Turntrans-82.32.5176.600000113.3V135 F172 C173 S174 I178V135-A176 HydrophobicContact CG1-CB 3.73Å; F172-A176 WeakPolarHBondContact O-CB 3.46Å; F172-A176 PolarHBondContact O-N 3.46Å; C173-A176 CarbonylContact O-C 3.58Å; C173-A176 PolarHBondContact O-N 3.17Å; S174-A176 VanDerWaalsContact C-N 3.33Å; A176-I178 HydrophobicContact CB-CD1 3.9Å; A176-I178 HydrophobicContact CB-CG1 4.11Å; A176-I178 PolarHBondContact O-N 3.04Å
177N88.4Confident90.3Very high145 Ų14545.3 Ų45.378%0.77523%0.234SC*.THydrogen-bonded Turntrans53.834.5-174.5-59.7-61.9000113.8C173 S174 K175 P179C173-N177 PolarHBondContact O-N 2.81Å; S174-N177 PolarHBondContact O-N 2.97Å; K175-N177 PolarHBondContact O-N 3.02Å; N177-P179 WeakPolarHBondContact O-CD 3.27Å
178I91.3Very high90.5Very high8 Ų842.2 Ų42.24%0.04122%0.223CC..  trans-94.5118.3174.6-61163.7000109.3L9 V135 A146 C173 A176 V180L9-I178 HydrophobicContact CD1-CD1 3.55Å; L9-I178 HydrophobicContact CD1-CG1 4.41Å; L9-I178 HydrophobicContact CD1-CG2 4.36Å; V135-I178 HydrophobicContact CB-CD1 4.27Å; V135-I178 HydrophobicContact CG1-CD1 3.35Å; V135-I178 HydrophobicContact CG2-CD1 4.25Å; A146-I178 HydrophobicContact CB-CG2 3.74Å; C173-I178 HydrophobicContact CB-CB 4.34Å; C173-I178 PolarHBondContact O-N 3.37Å; A176-I178 HydrophobicContact CB-CD1 3.9Å; A176-I178 HydrophobicContact CB-CG1 4.11Å; A176-I178 PolarHBondContact O-N 3.04Å; I178-V180 PolarHBondContact O-N 2.61Å
179P93.2Very high90.6Very high77 Ų7736.1 Ų36.150%0.520%0.2SC..  trans-60.6128.6170.7-21.833.3000111.5S144 S145 A146 N177S144-P179 WeakPolarHBondContact O-CD 3.3Å; S145-P179 CarbonylContact C-O 3.56Å; S145-P179 VanDerWaalsContact CA-O 3.3Å; S145-P179 WeakPolarHBondContact CA-O 3.41Å; S145-P179 WeakPolarHBondContact CB-O 3.34Å; A146-P179 PolarHBondContact N-O 3.41Å; N177-P179 WeakPolarHBondContact O-CD 3.27Å
180V94Very high90.6Very high27 Ų2739.9 Ų39.916%0.16422%0.215CC..EExtended strand (participates in β ladder)trans-88.7111.9174.1178.70000109A146 L148 C173 I178 G182 I216A146-V180 CarbonylContact O-C 3.59Å; A146-V180 WeakPolarHBondContact O-CA 3.4Å; L148-V180 HydrophobicContact CD1-CG1 4.03Å; L148-V180 HydrophobicContact CG-CG1 3.95Å; C173-V180 HydrophobicContact CB-CG2 3.63Å; I178-V180 PolarHBondContact O-N 2.61Å; V180-G182 PolarHBondContact O-N 3.44Å; V180-I216 HydrophobicContact CB-CG2 4.24Å; V180-I216 HydrophobicContact CG1-CB 4.32Å; V180-I216 HydrophobicContact CG1-CD1 4.05Å; V180-I216 HydrophobicContact CG1-CG2 4.31Å
181L95.5Very high90.4Very high15 Ų1540.2 Ų40.28%0.07922%0.218CC..EExtended strand (participates in β ladder)trans-64.9-32.7175.4-63.3-174.1000112.1I8 S145 A146 I147 P217 K257 L258 M261I8-L181 HydrophobicContact CD1-CD1 3.94Å; S145-L181 VanDerWaalsContact OG-CD1 3.3Å; S145-L181 WeakPolarHBondContact OG-CD1 3.3Å; S145-L181 WeakPolarHBondContact OG-CG 3.47Å; A146-L181 PolarHBondContact O-N 3.43Å; I147-L181 HydrophobicContact CD1-CD1 4.41Å; I147-L181 HydrophobicContact CG1-CB 4.12Å; I147-L181 HydrophobicContact CG1-CD1 4.1Å; L181-P217 WeakPolarHBondContact O-CB 3.49Å; L181-P217 WeakPolarHBondContact O-CG 3.41Å; L181-K257 PolarHBondContact O-NZ 2.94Å; L181-L258 HydrophobicContact CD1-CD2 3.44Å; L181-L258 VanDerWaalsContact CD1-CD2 3.44Å; L181-M261 HydrophobicContact CD1-SD 4.48Å; L181-M261 HydrophobicContact CD2-CE 3.78Å; L181-M261 HydrophobicContact CD2-SD 3.43Å; L181-M261 WeakPolarHBondContact CD2-SD 2.98Å
182G95.3Very high90.2Very high0 Ų038.5 Ų38.50%021%0.208CC..EExtended strand (participates in β ladder)trans155.1-174.916800000113.7L148 V180 P217L148-G182 PolarHBondContact N-O 2.77Å; V180-G182 PolarHBondContact O-N 3.44Å; G182-P217 CarbonylContact C-O 3.49Å; G182-P217 WeakPolarHBondContact CA-O 3.4Å
183L94.6Very high89.9Confident0 Ų040.6 Ų40.60%023%0.226CC..EExtended strand (participates in β ladder)trans-107.6138.8-178.1-174.171.2000111L148 T150 V166 L210 C211 I216 P217 L219L148-L183 HydrophobicContact CB-CD1 3.51Å; L148-L183 CarbonylContact O-C 3.52Å; L148-L183 WeakPolarHBondContact O-CA 3.42Å; T150-L183 HydrophobicContact CG2-CD1 3.76Å; T150-L183 HydrophobicContact CG2-CD2 4.14Å; T150-L183 HydrophobicContact CG2-CG 4.11Å; V166-L183 HydrophobicContact CG1-CD1 3.87Å; L183-L210 HydrophobicContact CD2-CD2 4.33Å; L183-C211 WeakPolarHBondContact CB-SG 3.39Å; L183-I216 HydrophobicContact CB-CD1 4.26Å; L183-P217 PolarHBondContact N-O 2.75Å; L183-L219 PolarHBondContact O-N 2.77Å
184I94.5Very high89.5Confident0 Ų049 Ų490%027%0.265CS..EExtended strand (participates in β ladder)trans-111122.9169.4-61.5167.3000108.4I22 I147 L148 T150 N186 L219 G220 L250 I254I22-I184 HydrophobicContact CG2-CD1 3.71Å; I147-I184 HydrophobicContact CG2-CD1 3.56Å; I147-I184 HydrophobicContact CG2-CG1 4.18Å; L148-I184 PolarHBondContact O-N 3.3Å; T150-I184 PolarHBondContact N-O 2.65Å; I184-N186 PolarHBondContact O-N 3.49Å; I184-L219 HydrophobicContact CD1-CD1 4.3Å; I184-L219 HydrophobicContact CG1-CB 3.9Å; I184-L219 HydrophobicContact CG1-CD1 4.01Å; I184-G220 WeakPolarHBondContact CA-O 3.32Å; I184-L250 HydrophobicContact CD1-CD2 4.2Å; I184-L250 HydrophobicContact CG1-CD2 4.25Å; I184-L250 HydrophobicContact CG2-CD2 3.81Å; I184-I254 HydrophobicContact CD1-CD1 3.67Å; I184-I254 HydrophobicContact CG1-CD1 4.47Å
185E92.2Very high89.3Confident0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-89.693170.9-174.6178.2102.800109.2P152 L155 G205 S206 G207 F218 G220 R221 L222P152-E185 HydrophobicContact CG-CG 4.02Å; L155-E185 HydrophobicContact CD1-CG 4.02Å; L155-E185 VanDerWaalsContact CD1-OE2 3.28Å; L155-E185 WeakPolarHBondContact CD1-OE2 3.47Å; E185-G205 PolarHBondContact OE1-N 3.24Å; E185-S206 PolarHBondContact OE2-OG 3.26Å; E185-G207 WeakPolarHBondContact OE2-CA 3.29Å; E185-G207 PolarHBondContact OE2-N 2.81Å; E185-F218 HydrophobicContact CB-CE2 4Å; E185-F218 HydrophobicContact CB-CZ 4.18Å; E185-G220 PolarHBondContact N-O 3.31Å; E185-R221 HydrophobicContact CB-CB 4.1Å; E185-R221 CarbonylContact O-C 3.5Å; E185-R221 WeakPolarHBondContact O-CA 3.43Å; E185-R221 WeakPolarHBondContact O-CB 3.25Å; E185-L222 PolarHBondContact O-N 3.37Å
186N91.7Very high88.8Confident12 Ų1244.9 Ų44.96%0.06426%0.256CS..EExtended strand (participates in β ladder)trans-83.2158.6178.6-166.224000111.7V17 V149 T150 T151 P152 I184 S188 L222V17-N186 PolarHBondContact O-ND2 3.12Å; V149-N186 HydrophobicContact CG1-CB 4.08Å; T150-N186 PolarHBondContact O-N 3.13Å; T151-N186 WeakPolarHBondContact CA-O 3.42Å; P152-N186 WeakPolarHBondContact CD-O 3.29Å; I184-N186 PolarHBondContact O-N 3.49Å; N186-S188 PolarHBondContact O-N 3.28Å; N186-L222 CarbonylContact C-O 3.55Å
187M88.8Confident88.6Confident59 Ų5949.9 Ų49.929%0.29128%0.275SS..EExtended strand (participates in β ladder)trans55.737.5-178-50.4179.7-178.700113G16 T151 G189 L222 I224G16-M187 WeakPolarHBondContact O-CE 2.91Å; T151-M187 HydrophobicContact CG2-CB 4.26Å; T151-M187 HydrophobicContact CG2-CG 4.27Å; T151-M187 HydrophobicContact CG2-SD 3.98Å; M187-G189 VanDerWaalsContact C-N 3.25Å; M187-G189 PolarHBondContact O-N 3.41Å; M187-L222 WeakPolarHBondContact CA-O 3.38Å; M187-L222 PolarHBondContact N-O 3.23Å; M187-I224 HydrophobicContact CB-CD1 4.21Å; M187-I224 HydrophobicContact CB-CG1 3.89Å; M187-I224 HydrophobicContact CG-CD1 4.46Å; M187-I224 HydrophobicContact CG-CG1 4.03Å
188S87.3Confident88.4Confident4 Ų445.3 Ų45.33%0.02825%0.254CS..EExtended strand (participates in β ladder)trans-75.1-11.4-175.963.90000114.8N186 N200 L222N186-S188 PolarHBondContact O-N 3.28Å; S188-N200 PolarHBondContact O-OD1 3.22Å; S188-L222 PolarHBondContact N-O 2.99Å; S188-L222 PolarHBondContact OG-O 3.45Å
189G87.2Confident88Confident0 Ų048.7 Ų48.70%028%0.275CS..EExtended strand (participates in β ladder)trans-171.1-168.9-179.800000110.5M187 T199 I224M187-G189 VanDerWaalsContact C-N 3.25Å; M187-G189 PolarHBondContact O-N 3.41Å; G189-T199 CarbonylContact C-O 3.46Å; G189-T199 WeakPolarHBondContact CA-O 2.91Å; G189-I224 WeakPolarHBondContact O-CB 3.49Å; G189-I224 WeakPolarHBondContact O-CG1 3.2Å; G189-I224 PolarHBondContact O-N 3.27Å
190Y88Confident87.5Confident83 Ų8349 Ų4933%0.32527%0.272SS..EExtended strand (participates in β ladder)trans-135.1123.4175.5171.3-101.7000109.6C192 P193 C198 T199 I224 P226Y190-C192 PolarHBondContact O-N 3Å; Y190-P193 VanDerWaalsContact OH-CD 3.28Å; Y190-P193 WeakPolarHBondContact OH-CD 3.15Å; Y190-C198 WeakPolarHBondContact O-CA 3.28Å; Y190-T199 PolarHBondContact N-O 3.5Å; Y190-T199 PolarHBondContact O-N 2.96Å; Y190-I224 HydrophobicContact CD2-CB 4.21Å; Y190-I224 HydrophobicContact CD2-CG2 4.1Å; Y190-P226 HydrophobicContact CE2-CG 3.87Å
191V85.1Confident86.7Confident29 Ų2952 Ų5218%0.17629%0.287CS..EExtended strand (participates in β ladder)trans-81.1113175.1-174.40000108.2P193 P223 I224V191-P193 WeakPolarHBondContact O-CD 3.38Å; V191-P223 HydrophobicContact CG2-CB 3.74Å; V191-P223 HydrophobicContact CG2-CG 3.46Å; V191-P223 VanDerWaalsContact CG2-CG 3.46Å; V191-I224 PolarHBondContact N-O 2.88Å
192C83.3Confident85.8Confident33 Ų3356 Ų5622%0.22330%0.303CS..  trans-64.1122.2175.5179.40000110.1Y190 H194 S196 E197Y190-C192 PolarHBondContact O-N 3Å; C192-H194 PolarHBondContact O-N 3.02Å; C192-H194 VanDerWaalsContact O-N 3.16Å; C192-S196 VanDerWaalsContact O-CA 3.28Å; C192-S196 WeakPolarHBondContact O-CA 3.18Å; C192-S196 PolarHBondContact O-N 3.48Å; C192-E197 WeakPolarHBondContact CB-O 3.42Å; C192-E197 PolarHBondContact N-O 2.82Å
193P81.4Confident84.7Confident82 Ų8259.5 Ų59.553%0.53233%0.328SS..THydrogen-bonded Turntrans-68.2-15.8-178.427.1-34.7000113.3Y190 V191Y190-P193 VanDerWaalsContact OH-CD 3.28Å; Y190-P193 WeakPolarHBondContact OH-CD 3.15Å; V191-P193 WeakPolarHBondContact O-CD 3.38Å
194H83.3Confident83.6Confident177 Ų17761.8 Ų61.882%0.81934%0.344SS*.THydrogen-bonded Turntrans-89.8-43-178.7-179.3-84.5000113.5C192C192-H194 PolarHBondContact O-N 3.02Å; C192-H194 VanDerWaalsContact O-N 3.16Å
195C84.5Confident82.5Confident69 Ų6962.4 Ų62.447%0.46635%0.35SS..THydrogen-bonded Turntrans-117.5-2.3-175.862.70000114.8E197C195-E197 PolarHBondContact O-N 3.33Å; C195-E197 VanDerWaalsContact SG-CB 3.54Å
196S77.8Confident81.9Confident95 Ų9562.6 Ų62.666%0.66435%0.351SS*.  trans61.45.8-174.7-52.60000115.3C192 C198C192-S196 VanDerWaalsContact O-CA 3.28Å; C192-S196 WeakPolarHBondContact O-CA 3.18Å; C192-S196 PolarHBondContact O-N 3.48Å; S196-C198 PolarHBondContact O-N 3.26Å
197E83.8Confident81.5Confident132 Ų13262 Ų6262%0.61735%0.348SS*.  trans-68.4131.4174.7-170.8166.5-173.900110.2C192 C195C192-E197 WeakPolarHBondContact CB-O 3.42Å; C192-E197 PolarHBondContact N-O 2.82Å; C195-E197 PolarHBondContact O-N 3.33Å; C195-E197 VanDerWaalsContact SG-CB 3.54Å
198C82.7Confident81.4Confident50 Ų5064.3 Ų64.334%0.33836%0.358SS..EExtended strand (participates in β ladder)trans-92.8112.7176.9-171.80000109.5Y190 S196Y190-C198 WeakPolarHBondContact O-CA 3.28Å; S196-C198 PolarHBondContact O-N 3.26Å
199T84.5Confident81.2Confident79 Ų7968.8 Ų68.849%0.48538%0.379SS..EExtended strand (participates in β ladder)trans-99124.5176.7-58.90000110.2G189 Y190 I201G189-T199 CarbonylContact C-O 3.46Å; G189-T199 WeakPolarHBondContact CA-O 2.91Å; Y190-T199 PolarHBondContact N-O 3.5Å; Y190-T199 PolarHBondContact O-N 2.96Å; T199-I201 PolarHBondContact O-N 3.43Å; T199-I201 VanDerWaalsContact O-N 3.16Å
200N82.4Confident81.1Confident83 Ų8368.8 Ų68.844%0.44438%0.379SS..  trans-72.5107.9172.8-66.9-15.7000109.7S188 F202 S204S188-N200 PolarHBondContact O-OD1 3.22Å; N200-F202 VanDerWaalsContact C-N 3.26Å; N200-F202 WeakPolarHBondContact CB-O 3.39Å; N200-F202 PolarHBondContact O-N 2.97Å; N200-S204 WeakPolarHBondContact ND2-CB 3.48Å; N200-S204 PolarHBondContact ND2-OG 3.09Å; N200-S204 VanDerWaalsContact ND2-OG 3.07Å
201I77.4Confident81.2Confident91 Ų9165 Ų6547%0.46736%0.364SS..SBendtrans-68.1-31.1177.6-59176.9000110.8T199 I224T199-I201 PolarHBondContact O-N 3.43Å; T199-I201 VanDerWaalsContact O-N 3.16Å; I201-I224 HydrophobicContact CD1-CD1 4.27Å
202F76.4Confident81.3Confident98 Ų9868.5 Ų68.543%0.4339%0.39SS..SBendtrans-127.6177178.7-58.7-88.2000110.1P152 Q153 N200 S204P152-F202 HydrophobicContact CB-CB 4.18Å; Q153-F202 HydrophobicContact CG-CD1 3.6Å; Q153-F202 HydrophobicContact CG-CD2 3.81Å; Q153-F202 HydrophobicContact CG-CE1 3.5Å; Q153-F202 HydrophobicContact CG-CE2 3.72Å; Q153-F202 HydrophobicContact CG-CG 3.73Å; Q153-F202 HydrophobicContact CG-CZ 3.55Å; N200-F202 VanDerWaalsContact C-N 3.26Å; N200-F202 WeakPolarHBondContact CB-O 3.39Å; N200-F202 PolarHBondContact O-N 2.97Å; F202-S204 PolarHBondContact O-N 3.23Å
203S72.5Confident81.4Confident73 Ų7375 Ų7551%0.5141%0.411SS..  trans-59.9130.2171.255.40000110.7P152P152-S203 VanDerWaalsContact CB-O 3.31Å; P152-S203 WeakPolarHBondContact CB-O 3.29Å
204S70.1Confident81.7Confident49 Ų4972.8 Ų72.834%0.34340%0.4SS..  trans-101.5159.7178.364.50000112.6N200 F202 S206N200-S204 WeakPolarHBondContact ND2-CB 3.48Å; N200-S204 PolarHBondContact ND2-OG 3.09Å; N200-S204 VanDerWaalsContact ND2-OG 3.07Å; F202-S204 PolarHBondContact O-N 3.23Å; S204-S206 VanDerWaalsContact C-N 3.35Å
205G73.3Confident82Confident12 Ų1267.6 Ų67.612%0.12439%0.394CS..  trans88.9-0.8170.800000114.8E185 G207 E208 Q209E185-G205 PolarHBondContact OE1-N 3.24Å; G205-G207 PolarHBondContact O-N 3.33Å; G205-E208 PolarHBondContact O-N 3.47Å; G205-Q209 PolarHBondContact O-N 3.37Å
206S78.8Confident82.3Confident5 Ų565.4 Ų65.44%0.03538%0.378CS..Hα-helixtrans-62-30.7172.745.50000112.9L155 E185 S204 L210L155-S206 WeakPolarHBondContact CB-OG 3.31Å; E185-S206 PolarHBondContact OE2-OG 3.26Å; S204-S206 VanDerWaalsContact C-N 3.35Å; S206-L210 WeakPolarHBondContact O-CB 3.41Å; S206-L210 PolarHBondContact O-N 2.84Å
207G82.9Confident83.1Confident0 Ų063.4 Ų63.40%036%0.362CS..Hα-helixtrans-69.1-43.4-179.900000112E185 G205 Q209 L210 C211E185-G207 WeakPolarHBondContact OE2-CA 3.29Å; E185-G207 PolarHBondContact OE2-N 2.81Å; G205-G207 PolarHBondContact O-N 3.33Å; G207-Q209 PolarHBondContact O-N 2.78Å; G207-L210 PolarHBondContact O-N 3.46Å; G207-C211 WeakPolarHBondContact O-CB 3.36Å; G207-C211 PolarHBondContact O-N 2.95Å; G207-C211 PolarHBondContact O-SG 3.49Å; G207-C211 VanDerWaalsContact O-SG 3.34Å
208E86.3Confident83.6Confident106 Ų10659.4 Ų59.450%0.49534%0.343SS..Hα-helixtrans-64.5-40.7177.7-172.1172.5-169.100111.8G205 C211 S212 F218 R221G205-E208 PolarHBondContact O-N 3.47Å; E208-C211 WeakPolarHBondContact O-CB 3.28Å; E208-C211 PolarHBondContact O-N 3.19Å; E208-S212 WeakPolarHBondContact O-CB 3.45Å; E208-S212 PolarHBondContact O-N 3.4Å; E208-F218 HydrophobicContact CB-CD1 4.15Å; E208-F218 HydrophobicContact CB-CD2 4.34Å; E208-F218 HydrophobicContact CB-CE1 4.33Å; E208-F218 HydrophobicContact CB-CG 4.15Å; E208-F218 HydrophobicContact CG-CD1 4.26Å; E208-F218 HydrophobicContact CG-CG 4.39Å; E208-R221 IonicContact OE2-NH2 3.87Å; E208-R221 PolarHBondContact OE2-NH2 3.37Å
209Q84.7Confident84.2Confident98 Ų9857.5 Ų57.546%0.45833%0.33SS..Hα-helixtrans-63.7-42.4173.6-68.8176.2-13.600112.3G205 G207 S212 Y213G205-Q209 PolarHBondContact O-N 3.37Å; G207-Q209 PolarHBondContact O-N 2.78Å; Q209-S212 PolarHBondContact O-N 2.93Å; Q209-Y213 WeakPolarHBondContact O-CB 3.13Å; Q209-Y213 PolarHBondContact O-N 2.79Å
210L84.5Confident84.6Confident1 Ų154.5 Ų54.51%0.00531%0.314CS..Hα-helixtrans-62.4-44.2175.6176.363.3000111.2L155 M163 V166 R167 L183 S206 G207 Y213 A214L155-L210 HydrophobicContact CD2-CB 4.47Å; L155-L210 HydrophobicContact CD2-CD2 3.44Å; L155-L210 VanDerWaalsContact CD2-CD2 3.44Å; M163-L210 HydrophobicContact CE-CB 4.49Å; M163-L210 HydrophobicContact CE-CD1 4.4Å; M163-L210 HydrophobicContact SD-CD1 4.08Å; V166-L210 HydrophobicContact CB-CD2 3.8Å; V166-L210 HydrophobicContact CG1-CD2 3.51Å; V166-L210 HydrophobicContact CG2-CD2 4.49Å; R167-L210 HydrophobicContact CG-CD1 4.17Å; L183-L210 HydrophobicContact CD2-CD2 4.33Å; S206-L210 WeakPolarHBondContact O-CB 3.41Å; S206-L210 PolarHBondContact O-N 2.84Å; G207-L210 PolarHBondContact O-N 3.46Å; L210-Y213 PolarHBondContact O-N 3.32Å; L210-A214 VanDerWaalsContact O-CB 3.25Å; L210-A214 WeakPolarHBondContact O-CB 3.45Å; L210-A214 PolarHBondContact O-N 2.99Å
211C89Confident85Confident3 Ų354.1 Ų54.12%0.0231%0.307CS..Hα-helixtrans-58.2-47.4175.5-78.20000111.9L183 G207 E208 Y213 A214 G215 I216 P217 F218L183-C211 WeakPolarHBondContact CB-SG 3.39Å; G207-C211 WeakPolarHBondContact O-CB 3.36Å; G207-C211 PolarHBondContact O-N 2.95Å; G207-C211 PolarHBondContact O-SG 3.49Å; G207-C211 VanDerWaalsContact O-SG 3.34Å; E208-C211 WeakPolarHBondContact O-CB 3.28Å; E208-C211 PolarHBondContact O-N 3.19Å; C211-Y213 VanDerWaalsContact C-N 3.33Å; C211-Y213 PolarHBondContact O-N 2.96Å; C211-A214 PolarHBondContact O-N 3.24Å; C211-G215 PolarHBondContact O-N 3.49Å; C211-I216 CarbonylContact C-O 3.4Å; C211-I216 HydrophobicContact CB-CG1 4.25Å; C211-I216 VanDerWaalsContact CB-O 3.24Å; C211-I216 WeakPolarHBondContact CB-O 3.27Å; C211-I216 PolarHBondContact O-N 3.01Å; C211-I216 VanDerWaalsContact O-N 3.13Å; C211-P217 PolarHBondContact SG-O 3.4Å; C211-F218 HydrophobicContact CB-CB 3.95Å
212S88.3Confident85.6Confident103 Ų10349.9 Ų49.972%0.7229%0.285SS*.Hα-helixtrans-58.9-44.3175.91800000111.8E208 Q209E208-S212 WeakPolarHBondContact O-CB 3.45Å; E208-S212 PolarHBondContact O-N 3.4Å; Q209-S212 PolarHBondContact O-N 2.93Å
213Y85.5Confident86.2Confident168 Ų16845.5 Ų45.566%0.65927%0.266SS*.Hα-helixtrans-66.8-42177.3176.1-86.2000112.9R167 Q209 L210 C211 G215R167-Y213 PolarHBondContact NH2-OH 2.92Å; Q209-Y213 WeakPolarHBondContact O-CB 3.13Å; Q209-Y213 PolarHBondContact O-N 2.79Å; L210-Y213 PolarHBondContact O-N 3.32Å; C211-Y213 VanDerWaalsContact C-N 3.33Å; C211-Y213 PolarHBondContact O-N 2.96Å; Y213-G215 VanDerWaalsContact C-N 3.34Å
214A87.4Confident87Confident36 Ų3645.3 Ų45.330%0.29826%0.259SS..Hα-helixtrans-83.9-8.2-175.900000113.7I170 L210 C211 I216I170-A214 HydrophobicContact CD1-CB 3.83Å; L210-A214 VanDerWaalsContact O-CB 3.25Å; L210-A214 WeakPolarHBondContact O-CB 3.45Å; L210-A214 PolarHBondContact O-N 2.99Å; C211-A214 PolarHBondContact O-N 3.24Å; A214-I216 VanDerWaalsContact C-N 3.32Å; A214-I216 HydrophobicContact CB-CG1 4.26Å; A214-I216 PolarHBondContact O-N 3.18Å
215G89Confident87.9Confident68 Ų6844.3 Ų44.370%0.70125%0.25SC*.THydrogen-bonded Turntrans69.326.9-177.900000113.9C211 Y213C211-G215 PolarHBondContact O-N 3.49Å; Y213-G215 VanDerWaalsContact C-N 3.34Å
216I92.1Very high88.5Confident24 Ų2445.5 Ų45.512%0.12326%0.255CS..  trans-111.2153.3176.564.4165.3000110.9L148 I170 V180 L183 C211 A214L148-I216 HydrophobicContact CD1-CD1 4.25Å; I170-I216 HydrophobicContact CD1-CD1 3.61Å; I170-I216 HydrophobicContact CD1-CG1 4.4Å; I170-I216 HydrophobicContact CG1-CD1 3.92Å; I170-I216 HydrophobicContact CG2-CG2 4.41Å; V180-I216 HydrophobicContact CB-CG2 4.24Å; V180-I216 HydrophobicContact CG1-CB 4.32Å; V180-I216 HydrophobicContact CG1-CD1 4.05Å; V180-I216 HydrophobicContact CG1-CG2 4.31Å; L183-I216 HydrophobicContact CB-CD1 4.26Å; C211-I216 CarbonylContact C-O 3.4Å; C211-I216 HydrophobicContact CB-CG1 4.25Å; C211-I216 VanDerWaalsContact CB-O 3.24Å; C211-I216 WeakPolarHBondContact CB-O 3.27Å; C211-I216 PolarHBondContact O-N 3.01Å; C211-I216 VanDerWaalsContact O-N 3.13Å; A214-I216 VanDerWaalsContact C-N 3.32Å; A214-I216 HydrophobicContact CB-CG1 4.26Å; A214-I216 PolarHBondContact O-N 3.18Å
217P94.4Very high88.9Confident52 Ų5249.5 Ų49.534%0.33827%0.272SS..  trans-66.4144.2177.9-2134000112.7L181 G182 L183 C211 K257L181-P217 WeakPolarHBondContact O-CB 3.49Å; L181-P217 WeakPolarHBondContact O-CG 3.41Å; G182-P217 CarbonylContact C-O 3.49Å; G182-P217 WeakPolarHBondContact CA-O 3.4Å; L183-P217 PolarHBondContact N-O 2.75Å; C211-P217 PolarHBondContact SG-O 3.4Å; P217-K257 VanDerWaalsContact CB-NZ 3.3Å
218F93.6Very high89.2Confident49 Ų4950.1 Ų50.122%0.21528%0.275CS..EExtended strand (participates in β ladder)trans-93.7120.2164.9-174.6-110.7000108.5E185 E208 C211 G220 R221E185-F218 HydrophobicContact CB-CE2 4Å; E185-F218 HydrophobicContact CB-CZ 4.18Å; E208-F218 HydrophobicContact CB-CD1 4.15Å; E208-F218 HydrophobicContact CB-CD2 4.34Å; E208-F218 HydrophobicContact CB-CE1 4.33Å; E208-F218 HydrophobicContact CB-CG 4.15Å; E208-F218 HydrophobicContact CG-CD1 4.26Å; E208-F218 HydrophobicContact CG-CG 4.39Å; C211-F218 HydrophobicContact CB-CB 3.95Å; F218-G220 VanDerWaalsContact CZ-C 3.43Å; F218-G220 VanDerWaalsContact CZ-O 3.27Å; F218-G220 WeakPolarHBondContact CZ-O 3.12Å; F218-R221 HydrophobicContact CZ-CB 4.21Å
219L95.3Very high89.3Confident10 Ų1047.6 Ų47.65%0.05227%0.269CS..EExtended strand (participates in β ladder)trans-85.5-32.2-177.9-66.8172000111.8I147 L183 I184 L250 I254 K257I147-L219 HydrophobicContact CD1-CD1 4.5Å; I147-L219 HydrophobicContact CG1-CD1 4.22Å; I147-L219 HydrophobicContact CG2-CD1 4.09Å; L183-L219 PolarHBondContact O-N 2.77Å; I184-L219 HydrophobicContact CD1-CD1 4.3Å; I184-L219 HydrophobicContact CG1-CB 3.9Å; I184-L219 HydrophobicContact CG1-CD1 4.01Å; L219-L250 HydrophobicContact CB-CD1 4.15Å; L219-L250 WeakPolarHBondContact O-CD1 3.36Å; L219-I254 HydrophobicContact CB-CG1 4.48Å; L219-I254 HydrophobicContact CD1-CD1 4.33Å; L219-I254 HydrophobicContact CD1-CG1 4.21Å; L219-I254 HydrophobicContact CD2-CG1 4.4Å; L219-K257 HydrophobicContact CD2-CD 3.89Å
220G92.8Very high89.4Confident16 Ų1648.4 Ų48.417%0.16527%0.273CS..EExtended strand (participates in β ladder)trans152.2-175.8176.700000112.6I184 E185 F218I184-G220 WeakPolarHBondContact CA-O 3.32Å; E185-G220 PolarHBondContact N-O 3.31Å; F218-G220 VanDerWaalsContact CZ-C 3.43Å; F218-G220 VanDerWaalsContact CZ-O 3.27Å; F218-G220 WeakPolarHBondContact CZ-O 3.12Å
221R90.5Very high89.6Confident74 Ų7448.5 Ų48.528%0.27927%0.274SS..EExtended strand (participates in β ladder)trans-124.7149.8176.268.1-169.968.2-173.62.2110.1E185 E208 F218E185-R221 HydrophobicContact CB-CB 4.1Å; E185-R221 CarbonylContact O-C 3.5Å; E185-R221 WeakPolarHBondContact O-CA 3.43Å; E185-R221 WeakPolarHBondContact O-CB 3.25Å; E208-R221 IonicContact OE2-NH2 3.87Å; E208-R221 PolarHBondContact OE2-NH2 3.37Å; F218-R221 HydrophobicContact CZ-CB 4.21Å
222L91Very high89.5Confident3 Ų349.6 Ų49.62%0.01628%0.279CS..EExtended strand (participates in β ladder)trans-126.6128.1176.1-66.8179.6000110.6I22 E185 N186 M187 S188 E246 V247 L250I22-L222 HydrophobicContact CD1-CD1 3.37Å; E185-L222 PolarHBondContact O-N 3.37Å; N186-L222 CarbonylContact C-O 3.55Å; M187-L222 WeakPolarHBondContact CA-O 3.38Å; M187-L222 PolarHBondContact N-O 3.23Å; S188-L222 PolarHBondContact N-O 2.99Å; S188-L222 PolarHBondContact OG-O 3.45Å; L222-E246 HydrophobicContact CD2-CB 4.44Å; L222-V247 HydrophobicContact CD1-CG2 4.36Å; L222-V247 HydrophobicContact CD2-CB 4.28Å; L222-V247 HydrophobicContact CD2-CG2 3.89Å; L222-L250 HydrophobicContact CD1-CD2 3.6Å; L222-L250 HydrophobicContact CD2-CB 3.97Å; L222-L250 HydrophobicContact CD2-CD2 3.66Å; L222-L250 HydrophobicContact CD2-CG 4.46Å; L222-L250 HydrophobicContact CG-CD2 3.5Å; L222-L250 VanDerWaalsContact CG-CD2 3.5Å
223P89.2Confident89.3Confident6 Ų651.4 Ų51.44%0.03928%0.276CS..EExtended strand (participates in β ladder)trans-75.4162.7170.133.4-35.7000110.4V191 D225 E246V191-P223 HydrophobicContact CG2-CB 3.74Å; V191-P223 HydrophobicContact CG2-CG 3.46Å; V191-P223 VanDerWaalsContact CG2-CG 3.46Å; P223-D225 PolarHBondContact O-N 3.25Å; P223-E246 WeakPolarHBondContact CD-OE2 3.42Å
224I88.4Confident89.3Confident69 Ų6949 Ų4935%0.35427%0.274SS..EExtended strand (participates in β ladder)trans-67.4118.2164.5-59.2174.7000107.2M187 G189 Y190 V191 I201M187-I224 HydrophobicContact CB-CD1 4.21Å; M187-I224 HydrophobicContact CB-CG1 3.89Å; M187-I224 HydrophobicContact CG-CD1 4.46Å; M187-I224 HydrophobicContact CG-CG1 4.03Å; G189-I224 WeakPolarHBondContact O-CB 3.49Å; G189-I224 WeakPolarHBondContact O-CG1 3.2Å; G189-I224 PolarHBondContact O-N 3.27Å; Y190-I224 HydrophobicContact CD2-CB 4.21Å; Y190-I224 HydrophobicContact CD2-CG2 4.1Å; V191-I224 PolarHBondContact N-O 2.88Å; I201-I224 HydrophobicContact CD1-CD1 4.27Å
225D88.5Confident89Confident27 Ų2748.3 Ų48.314%0.14427%0.271CS..  trans-117.7112.5175.1-169.5-25.8000109.4P223 K227 L228 S229 Y238P223-D225 PolarHBondContact O-N 3.25Å; D225-K227 PolarHBondContact O-N 3.36Å; D225-K227 WeakPolarHBondContact OD1-CB 3.42Å; D225-K227 PolarHBondContact OD1-N 2.87Å; D225-L228 HydrophobicContact CB-CB 4.17Å; D225-L228 WeakPolarHBondContact O-CB 3.45Å; D225-L228 PolarHBondContact O-N 3.48Å; D225-S229 PolarHBondContact O-N 3.45Å; D225-Y238 VanDerWaalsContact CG-OH 3.22Å; D225-Y238 PolarHBondContact OD2-OH 3.36Å
226P86.9Confident88.8Confident37 Ų3749 Ų4924%0.2426%0.256CS..Hα-helixtrans-54.2-33.5177.1-27.635.9000113.7Y190 L228 S229 E230Y190-P226 HydrophobicContact CE2-CG 3.87Å; P226-L228 VanDerWaalsContact C-N 3.29Å; P226-L228 PolarHBondContact O-N 3.49Å; P226-S229 VanDerWaalsContact O-CB 3.29Å; P226-S229 WeakPolarHBondContact O-CB 3.36Å; P226-S229 PolarHBondContact O-N 3.34Å; P226-S229 VanDerWaalsContact O-N 3.1Å; P226-E230 PolarHBondContact O-N 3.48Å; P226-E230 VanDerWaalsContact O-N 3.12Å
227K87.5Confident88.5Confident89 Ų8948.6 Ų48.639%0.38726%0.255SS..Hα-helixtrans-71-26.8-179.1-62.2178.2-177.9163.40112.3D225 S229 A231 Y238D225-K227 PolarHBondContact O-N 3.36Å; D225-K227 WeakPolarHBondContact OD1-CB 3.42Å; D225-K227 PolarHBondContact OD1-N 2.87Å; K227-S229 VanDerWaalsContact C-N 3.34Å; K227-A231 WeakPolarHBondContact O-CB 3.46Å; K227-A231 PolarHBondContact O-N 3.38Å; K227-Y238 VanDerWaalsContact C-CE2 3.45Å; K227-Y238 HydrophobicContact CB-CE2 3.76Å
228L89.3Confident88.1Confident14 Ų1446.3 Ų46.37%0.07324%0.239CC..Hα-helixtrans-65.6-41.5170.6173.762000110.1T21 Q25 D225 P226 A231 M232 Y238 V247T21-L228 HydrophobicContact CG2-CD2 3.96Å; T21-L228 HydrophobicContact CG2-CG 4.46Å; Q25-L228 HydrophobicContact CG-CD1 3.99Å; D225-L228 HydrophobicContact CB-CB 4.17Å; D225-L228 WeakPolarHBondContact O-CB 3.45Å; D225-L228 PolarHBondContact O-N 3.48Å; P226-L228 VanDerWaalsContact C-N 3.29Å; P226-L228 PolarHBondContact O-N 3.49Å; L228-A231 PolarHBondContact O-N 2.94Å; L228-M232 HydrophobicContact CD1-CG 4.24Å; L228-M232 HydrophobicContact CG-SD 4.47Å; L228-M232 VanDerWaalsContact O-CG 3.29Å; L228-M232 WeakPolarHBondContact O-CG 3.5Å; L228-M232 PolarHBondContact O-N 2.95Å; L228-Y238 HydrophobicContact CB-CD1 4.2Å; L228-Y238 HydrophobicContact CB-CD2 4.19Å; L228-Y238 HydrophobicContact CB-CE1 4.2Å; L228-Y238 HydrophobicContact CB-CE2 4.23Å; L228-Y238 HydrophobicContact CB-CG 4.19Å; L228-Y238 HydrophobicContact CD1-CD1 3.82Å; L228-Y238 HydrophobicContact CD1-CD2 4.2Å; L228-Y238 HydrophobicContact CD1-CG 3.56Å; L228-Y238 HydrophobicContact CG-CG 4.48Å; L228-V247 HydrophobicContact CD2-CG2 4.18Å
229S86.5Confident87.9Confident53 Ų5345 Ų4537%0.37123%0.234SC..Hα-helixtrans-59.5-48.7175.5-161.50000112D225 P226 K227 A231 M232 E233D225-S229 PolarHBondContact O-N 3.45Å; P226-S229 VanDerWaalsContact O-CB 3.29Å; P226-S229 WeakPolarHBondContact O-CB 3.36Å; P226-S229 PolarHBondContact O-N 3.34Å; P226-S229 VanDerWaalsContact O-N 3.1Å; K227-S229 VanDerWaalsContact C-N 3.34Å; S229-A231 VanDerWaalsContact C-N 3.32Å; S229-A231 PolarHBondContact O-N 3.33Å; S229-M232 PolarHBondContact O-N 3.34Å; S229-E233 WeakPolarHBondContact O-CG 3.24Å; S229-E233 PolarHBondContact O-N 3.41Å
230E87.3Confident87.6Confident115 Ų11549.4 Ų49.454%0.53726%0.257SS..Hα-helixtrans-58.8-42.9177-67.1171.3-169.800111.9P226 M232 E233 L234P226-E230 PolarHBondContact O-N 3.48Å; P226-E230 VanDerWaalsContact O-N 3.12Å; E230-M232 PolarHBondContact O-N 2.89Å; E230-E233 PolarHBondContact O-N 3.1Å; E230-L234 WeakPolarHBondContact O-CG 3.28Å; E230-L234 PolarHBondContact O-N 2.54Å
231A88.8Confident87.4Confident3 Ų352.6 Ų52.63%0.02527%0.27CS..Hα-helixtrans-63.3-42.4177.600000112.2K227 L228 S229 L234 G235 Q236 Y238 L241K227-A231 WeakPolarHBondContact O-CB 3.46Å; K227-A231 PolarHBondContact O-N 3.38Å; L228-A231 PolarHBondContact O-N 2.94Å; S229-A231 VanDerWaalsContact C-N 3.32Å; S229-A231 PolarHBondContact O-N 3.33Å; A231-L234 CarbonylContact O-C 3.47Å; A231-L234 PolarHBondContact O-N 3.07Å; A231-G235 PolarHBondContact O-N 3.18Å; A231-G235 VanDerWaalsContact O-N 3.12Å; A231-Q236 HydrophobicContact CB-CB 4.39Å; A231-Q236 PolarHBondContact O-N 3.36Å; A231-Y238 HydrophobicContact CB-CD2 3.77Å; A231-Y238 HydrophobicContact CB-CG 4.49Å; A231-L241 HydrophobicContact CB-CD1 3.68Å
232M88Confident87.4Confident25 Ų2553.4 Ų53.412%0.12328%0.275CS..Hα-helixtrans-65.5-38.7177.3-69.1-173.3-47.400112.5T21 L51 L228 S229 E230 L234 G235T21-M232 HydrophobicContact CG2-CE 4.22Å; T21-M232 HydrophobicContact CG2-SD 3.29Å; T21-M232 WeakPolarHBondContact CG2-SD 3.47Å; T21-M232 PolarHBondContact OG1-SD 3.31Å; L51-M232 HydrophobicContact CD2-CB 4.03Å; L51-M232 HydrophobicContact CD2-CE 4.1Å; L51-M232 HydrophobicContact CD2-CG 4.28Å; L51-M232 HydrophobicContact CD2-SD 3.66Å; L228-M232 HydrophobicContact CD1-CG 4.24Å; L228-M232 HydrophobicContact CG-SD 4.47Å; L228-M232 VanDerWaalsContact O-CG 3.29Å; L228-M232 WeakPolarHBondContact O-CG 3.5Å; L228-M232 PolarHBondContact O-N 2.95Å; S229-M232 PolarHBondContact O-N 3.34Å; E230-M232 PolarHBondContact O-N 2.89Å; M232-L234 PolarHBondContact O-N 3.44Å; M232-G235 PolarHBondContact O-N 2.85Å
233E83.3Confident87.3Confident141 Ų14157.3 Ų57.366%0.65930%0.301SS*.Hα-helixtrans-61.5-28.5175.7-74.1173.9-170.700112.2S229 E230S229-E233 WeakPolarHBondContact O-CG 3.24Å; S229-E233 PolarHBondContact O-N 3.41Å; E230-E233 PolarHBondContact O-N 3.1Å
234L85.1Confident87.2Confident118 Ų11865 Ų6562%0.61834%0.341SS*.THydrogen-bonded Turntrans-94.72.1176.3-61.6176.9000113.6E230 A231 M232 Q236E230-L234 WeakPolarHBondContact O-CG 3.28Å; E230-L234 PolarHBondContact O-N 2.54Å; A231-L234 CarbonylContact O-C 3.47Å; A231-L234 PolarHBondContact O-N 3.07Å; M232-L234 PolarHBondContact O-N 3.44Å; L234-Q236 HydrophobicContact CB-CG 3.8Å; L234-Q236 PolarHBondContact O-N 2.93Å
235G80.8Confident87.2Confident22 Ų2262.4 Ų62.423%0.22733%0.33CS..THydrogen-bonded Turntrans62.324-174.700000113.9A231 M232A231-G235 PolarHBondContact O-N 3.18Å; A231-G235 VanDerWaalsContact O-N 3.12Å; M232-G235 PolarHBondContact O-N 2.85Å
236Q85.2Confident87.1Confident82 Ų8265.9 Ų65.938%0.38335%0.345SS..  trans-90.6149.8-176-66.3-179.2-11.500111.9A231 L234 Y238 L241A231-Q236 HydrophobicContact CB-CB 4.39Å; A231-Q236 PolarHBondContact O-N 3.36Å; L234-Q236 HydrophobicContact CB-CG 3.8Å; L234-Q236 PolarHBondContact O-N 2.93Å; Q236-Y238 PolarHBondContact O-N 3.14Å; Q236-L241 HydrophobicContact CB-CD1 3.9Å; Q236-L241 VanDerWaalsContact OE1-CD1 3.29Å
237S85.5Confident87.2Confident15 Ų1564.3 Ų64.311%0.10534%0.335CS..  trans-74.7109.5173.4177.90000111F239 L240 L241S237-F239 VanDerWaalsContact C-N 3.3Å; S237-F239 PolarHBondContact O-N 2.82Å; S237-F239 WeakPolarHBondContact OG-CD1 3.39Å; S237-F239 WeakPolarHBondContact OG-CE1 3.46Å; S237-L240 PolarHBondContact O-N 2.76Å; S237-L240 VanDerWaalsContact O-N 3.16Å; S237-L241 PolarHBondContact O-N 3.28Å
238Y87Confident87.4Confident4 Ų460.2 Ų60.22%0.01632%0.317CS..Hα-helixtrans-63.8-37.3-176.5-171.9-114.3000112.4D225 K227 L228 A231 Q236 L240 L241 K242 V247D225-Y238 VanDerWaalsContact CG-OH 3.22Å; D225-Y238 PolarHBondContact OD2-OH 3.36Å; K227-Y238 VanDerWaalsContact C-CE2 3.45Å; K227-Y238 HydrophobicContact CB-CE2 3.76Å; L228-Y238 HydrophobicContact CB-CD1 4.2Å; L228-Y238 HydrophobicContact CB-CD2 4.19Å; L228-Y238 HydrophobicContact CB-CE1 4.2Å; L228-Y238 HydrophobicContact CB-CE2 4.23Å; L228-Y238 HydrophobicContact CB-CG 4.19Å; L228-Y238 HydrophobicContact CD1-CD1 3.82Å; L228-Y238 HydrophobicContact CD1-CD2 4.2Å; L228-Y238 HydrophobicContact CD1-CG 3.56Å; L228-Y238 HydrophobicContact CG-CG 4.48Å; A231-Y238 HydrophobicContact CB-CD2 3.77Å; A231-Y238 HydrophobicContact CB-CG 4.49Å; Q236-Y238 PolarHBondContact O-N 3.14Å; Y238-L240 PolarHBondContact O-N 3.29Å; Y238-L241 PolarHBondContact O-N 3.25Å; Y238-L241 VanDerWaalsContact O-N 3.14Å; Y238-K242 HydrophobicContact CE1-CB 4.16Å; Y238-K242 HydrophobicContact CE2-CB 4.09Å; Y238-K242 HydrophobicContact CE2-CG 3.71Å; Y238-K242 PolarHBondContact O-N 3.16Å; Y238-V247 HydrophobicContact CD1-CB 3.76Å; Y238-V247 HydrophobicContact CD1-CG1 3.85Å; Y238-V247 HydrophobicContact CD1-CG2 4.04Å; Y238-V247 HydrophobicContact CE1-CB 3.94Å; Y238-V247 HydrophobicContact CE1-CG2 3.92Å
239F88.3Confident87.6Confident23 Ų2362.5 Ų62.510%0.10134%0.338CS..Hα-helixtrans-64.6-29.1179.594-94.7000112.1R29 Q32 S237 K242 P243 A248 L251R29-F239 HydrophobicContact CB-CD1 3.98Å; R29-F239 HydrophobicContact CB-CE1 4.26Å; Q32-F239 HydrophobicContact CG-CE1 3.72Å; Q32-F239 HydrophobicContact CG-CE2 4.25Å; Q32-F239 HydrophobicContact CG-CZ 3.25Å; S237-F239 VanDerWaalsContact C-N 3.3Å; S237-F239 PolarHBondContact O-N 2.82Å; S237-F239 WeakPolarHBondContact OG-CD1 3.39Å; S237-F239 WeakPolarHBondContact OG-CE1 3.46Å; F239-K242 CarbonylContact O-C 3.58Å; F239-P243 VanDerWaalsContact O-CA 3.24Å; F239-P243 WeakPolarHBondContact O-CA 3.45Å; F239-A248 HydrophobicContact CB-CB 3.9Å; F239-L251 HydrophobicContact CB-CD1 4.4Å
240L88.8Confident87.9Confident102 Ų10260.4 Ų60.453%0.53432%0.323SS..Hα-helixtrans-74.9-36.9174-71.6175.7000112S237 Y238S237-L240 PolarHBondContact O-N 2.76Å; S237-L240 VanDerWaalsContact O-N 3.16Å; Y238-L240 PolarHBondContact O-N 3.29Å
241L90Very high88.2Confident82 Ų8255 Ų5543%0.42930%0.298SS..Hα-helixtrans-72.5-33.6178-63174.9000112.5A231 Q236 S237 Y238A231-L241 HydrophobicContact CB-CD1 3.68Å; Q236-L241 HydrophobicContact CB-CD1 3.9Å; Q236-L241 VanDerWaalsContact OE1-CD1 3.29Å; S237-L241 PolarHBondContact O-N 3.28Å; Y238-L241 PolarHBondContact O-N 3.25Å; Y238-L241 VanDerWaalsContact O-N 3.14Å
242K89.2Confident88.4Confident91 Ų9156.4 Ų56.440%0.39631%0.308SS..  trans-137.572.1-175.3-64.2-64.3175.4-162.60110.9Y238 F239 D244 S245 A248Y238-K242 HydrophobicContact CE1-CB 4.16Å; Y238-K242 HydrophobicContact CE2-CB 4.09Å; Y238-K242 HydrophobicContact CE2-CG 3.71Å; Y238-K242 PolarHBondContact O-N 3.16Å; F239-K242 CarbonylContact O-C 3.58Å; K242-D244 PolarHBondContact O-N 3.02Å; K242-S245 VanDerWaalsContact O-CB 3.32Å; K242-S245 WeakPolarHBondContact O-CB 3.22Å; K242-S245 PolarHBondContact O-N 3.12Å; K242-S245 VanDerWaalsContact O-N 3.12Å; K242-S245 PolarHBondContact O-OG 2.72Å; K242-A248 WeakPolarHBondContact O-CB 3.24Å
243P89.5Confident88.7Confident85 Ų8559.3 Ų59.355%0.55232%0.321SS*.THydrogen-bonded Turntrans-63.2-26.2-17925.2-34.7000113.6F239 S245 A248F239-P243 VanDerWaalsContact O-CA 3.24Å; F239-P243 WeakPolarHBondContact O-CA 3.45Å; P243-S245 VanDerWaalsContact C-N 3.32Å; P243-S245 PolarHBondContact O-N 3.08Å; P243-A248 VanDerWaalsContact O-CB 3.22Å; P243-A248 WeakPolarHBondContact O-CB 3.18Å
244D87.6Confident89.2Confident167 Ų16752.7 Ų52.789%0.89329%0.29SS*.THydrogen-bonded Turntrans-88.58.3178.5-53.1-46.7000113.6K242K242-D244 PolarHBondContact O-N 3.02Å
245S87.9Confident89.6Confident16 Ų1647.2 Ų47.211%0.11226%0.261CS..SBendtrans-79.8155.8-178.664.60000113K242 P243 V247 A248 A249K242-S245 VanDerWaalsContact O-CB 3.32Å; K242-S245 WeakPolarHBondContact O-CB 3.22Å; K242-S245 PolarHBondContact O-N 3.12Å; K242-S245 VanDerWaalsContact O-N 3.12Å; K242-S245 PolarHBondContact O-OG 2.72Å; P243-S245 VanDerWaalsContact C-N 3.32Å; P243-S245 PolarHBondContact O-N 3.08Å; S245-V247 PolarHBondContact O-N 3.47Å; S245-A248 PolarHBondContact O-N 3.16Å; S245-A248 VanDerWaalsContact O-N 3.08Å; S245-A248 WeakPolarHBondContact OG-CB 3.41Å; S245-A248 PolarHBondContact OG-N 3.34Å; S245-A248 VanDerWaalsContact OG-N 3.12Å; S245-A249 PolarHBondContact O-N 3.25Å
246E87.4Confident90.1Very high99 Ų9951.8 Ų51.846%0.46328%0.276SS..Hα-helixtrans-57.7-33.2172-67.2-173-154.700112.2L222 P223 A249 L250L222-E246 HydrophobicContact CD2-CB 4.44Å; P223-E246 WeakPolarHBondContact CD-OE2 3.42Å; E246-A249 PolarHBondContact O-N 2.91Å; E246-L250 WeakPolarHBondContact O-CB 3.12Å; E246-L250 PolarHBondContact O-N 2.96Å
247V88.6Confident90.4Very high4 Ų450.8 Ų50.82%0.02427%0.271CS..Hα-helixtrans-63.1-50.1173.6-179.90000110.6L222 L228 Y238 S245 A249 L250 L251L222-V247 HydrophobicContact CD1-CG2 4.36Å; L222-V247 HydrophobicContact CD2-CB 4.28Å; L222-V247 HydrophobicContact CD2-CG2 3.89Å; L228-V247 HydrophobicContact CD2-CG2 4.18Å; Y238-V247 HydrophobicContact CD1-CB 3.76Å; Y238-V247 HydrophobicContact CD1-CG1 3.85Å; Y238-V247 HydrophobicContact CD1-CG2 4.04Å; Y238-V247 HydrophobicContact CE1-CB 3.94Å; Y238-V247 HydrophobicContact CE1-CG2 3.92Å; S245-V247 PolarHBondContact O-N 3.47Å; V247-A249 VanDerWaalsContact C-N 3.32Å; V247-A249 PolarHBondContact O-N 2.91Å; V247-L250 PolarHBondContact O-N 3.32Å; V247-L251 HydrophobicContact CG1-CD1 3.75Å; V247-L251 HydrophobicContact CG1-CG 4.26Å; V247-L251 WeakPolarHBondContact O-CB 3.47Å; V247-L251 WeakPolarHBondContact O-CG 3.44Å; V247-L251 PolarHBondContact O-N 3.41Å
248A91.3Very high90.7Very high3 Ų350.2 Ų50.23%0.02527%0.267CS..Hα-helixtrans-62-39.7179.100000112.4F239 K242 P243 S245 S252F239-A248 HydrophobicContact CB-CB 3.9Å; K242-A248 WeakPolarHBondContact O-CB 3.24Å; P243-A248 VanDerWaalsContact O-CB 3.22Å; P243-A248 WeakPolarHBondContact O-CB 3.18Å; S245-A248 PolarHBondContact O-N 3.16Å; S245-A248 VanDerWaalsContact O-N 3.08Å; S245-A248 WeakPolarHBondContact OG-CB 3.41Å; S245-A248 PolarHBondContact OG-N 3.34Å; S245-A248 VanDerWaalsContact OG-N 3.12Å; A248-S252 WeakPolarHBondContact O-CB 3.44Å; A248-S252 PolarHBondContact O-N 3.24Å; A248-S252 PolarHBondContact O-OG 3.39Å
249A92.6Very high90.7Very high62 Ų6253.3 Ų53.351%0.51228%0.284SS..Hα-helixtrans-63.3-47.5175.700000111.9S245 E246 V247 S252 H253S245-A249 PolarHBondContact O-N 3.25Å; E246-A249 PolarHBondContact O-N 2.91Å; V247-A249 VanDerWaalsContact C-N 3.32Å; V247-A249 PolarHBondContact O-N 2.91Å; A249-S252 PolarHBondContact O-N 2.84Å; A249-H253 WeakPolarHBondContact O-CB 3.42Å; A249-H253 PolarHBondContact O-N 3.4Å
250L93.1Very high90.5Very high10 Ų1059.7 Ų59.75%0.05232%0.318CS..Hα-helixtrans-60.5-48.3176.9177.265.1000111.7I184 L219 L222 E246 V247 S252 H253 I254I184-L250 HydrophobicContact CD1-CD2 4.2Å; I184-L250 HydrophobicContact CG1-CD2 4.25Å; I184-L250 HydrophobicContact CG2-CD2 3.81Å; L219-L250 HydrophobicContact CB-CD1 4.15Å; L219-L250 WeakPolarHBondContact O-CD1 3.36Å; L222-L250 HydrophobicContact CD1-CD2 3.6Å; L222-L250 HydrophobicContact CD2-CB 3.97Å; L222-L250 HydrophobicContact CD2-CD2 3.66Å; L222-L250 HydrophobicContact CD2-CG 4.46Å; L222-L250 HydrophobicContact CG-CD2 3.5Å; L222-L250 VanDerWaalsContact CG-CD2 3.5Å; E246-L250 WeakPolarHBondContact O-CB 3.12Å; E246-L250 PolarHBondContact O-N 2.96Å; V247-L250 PolarHBondContact O-N 3.32Å; L250-S252 VanDerWaalsContact C-N 3.29Å; L250-S252 PolarHBondContact O-N 3Å; L250-H253 WeakPolarHBondContact O-CB 3.41Å; L250-H253 PolarHBondContact O-N 2.94Å; L250-I254 HydrophobicContact CD1-CD1 3.98Å; L250-I254 HydrophobicContact CD1-CG1 4.27Å; L250-I254 HydrophobicContact CD2-CD1 4.43Å; L250-I254 HydrophobicContact CG-CD1 3.85Å; L250-I254 HydrophobicContact CG-CG1 4.49Å; L250-I254 WeakPolarHBondContact O-CG1 3.32Å; L250-I254 PolarHBondContact O-N 3.42Å
251L93.5Very high89.9Confident2 Ų262.3 Ų62.31%0.0133%0.329CS..Hα-helixtrans-64.7-36.3-177.7-64.7173.3000111.6Q25 L26 R29 F239 V247 I254 S255Q25-L251 HydrophobicContact CB-CD1 3.81Å; Q25-L251 HydrophobicContact CB-CD2 4.34Å; L26-L251 HydrophobicContact CB-CD2 4.07Å; L26-L251 HydrophobicContact CD1-CD2 4.34Å; R29-L251 HydrophobicContact CB-CB 4.06Å; R29-L251 HydrophobicContact CB-CD1 4.35Å; R29-L251 HydrophobicContact CG-CB 3.94Å; F239-L251 HydrophobicContact CB-CD1 4.4Å; V247-L251 HydrophobicContact CG1-CD1 3.75Å; V247-L251 HydrophobicContact CG1-CG 4.26Å; V247-L251 WeakPolarHBondContact O-CB 3.47Å; V247-L251 WeakPolarHBondContact O-CG 3.44Å; V247-L251 PolarHBondContact O-N 3.41Å; L251-I254 PolarHBondContact O-N 3.5Å; L251-S255 WeakPolarHBondContact O-CB 3.47Å; L251-S255 PolarHBondContact O-N 2.98Å
252S93.3Very high89.9Confident32 Ų3261.3 Ų61.322%0.22432%0.324CS..Hα-helixtrans-67.9-42.8174.5-58.70000111.4A248 A249 L250 I254 S255 E256A248-S252 WeakPolarHBondContact O-CB 3.44Å; A248-S252 PolarHBondContact O-N 3.24Å; A248-S252 PolarHBondContact O-OG 3.39Å; A249-S252 PolarHBondContact O-N 2.84Å; L250-S252 VanDerWaalsContact C-N 3.29Å; L250-S252 PolarHBondContact O-N 3Å; S252-I254 VanDerWaalsContact C-N 3.33Å; S252-I254 PolarHBondContact O-N 3.23Å; S252-S255 WeakPolarHBondContact O-CB 3.48Å; S252-S255 PolarHBondContact O-N 3.39Å; S252-E256 WeakPolarHBondContact O-CG 3.37Å; S252-E256 PolarHBondContact O-N 3.12Å
253H94.2Very high90Very high86 Ų8659.7 Ų59.740%0.39832%0.32SS..Hα-helixtrans-58.8-42.5174.2179.257.2000112.5A249 L250 K257A249-H253 WeakPolarHBondContact O-CB 3.42Å; A249-H253 PolarHBondContact O-N 3.4Å; L250-H253 WeakPolarHBondContact O-CB 3.41Å; L250-H253 PolarHBondContact O-N 2.94Å; H253-K257 WeakPolarHBondContact O-CB 3.41Å; H253-K257 PolarHBondContact O-N 3.37Å; H253-K257 VanDerWaalsContact O-N 3.1Å
254I93.9Very high90Very high2 Ų258.3 Ų58.31%0.0131%0.307CS..Hα-helixtrans-66-43.9175.9-64.7167000110.6L26 I147 I184 L219 L250 L251 S252 E256 K257 L258L26-I254 HydrophobicContact CD1-CB 4.21Å; L26-I254 HydrophobicContact CD1-CG2 3.67Å; L26-I254 HydrophobicContact CD2-CG2 4.18Å; I147-I254 HydrophobicContact CD1-CG2 3.89Å; I184-I254 HydrophobicContact CD1-CD1 3.67Å; I184-I254 HydrophobicContact CG1-CD1 4.47Å; L219-I254 HydrophobicContact CB-CG1 4.48Å; L219-I254 HydrophobicContact CD1-CD1 4.33Å; L219-I254 HydrophobicContact CD1-CG1 4.21Å; L219-I254 HydrophobicContact CD2-CG1 4.4Å; L250-I254 HydrophobicContact CD1-CD1 3.98Å; L250-I254 HydrophobicContact CD1-CG1 4.27Å; L250-I254 HydrophobicContact CD2-CD1 4.43Å; L250-I254 HydrophobicContact CG-CD1 3.85Å; L250-I254 HydrophobicContact CG-CG1 4.49Å; L250-I254 WeakPolarHBondContact O-CG1 3.32Å; L250-I254 PolarHBondContact O-N 3.42Å; L251-I254 PolarHBondContact O-N 3.5Å; S252-I254 VanDerWaalsContact C-N 3.33Å; S252-I254 PolarHBondContact O-N 3.23Å; I254-E256 PolarHBondContact O-N 3.1Å; I254-K257 PolarHBondContact O-N 2.93Å; I254-L258 HydrophobicContact CG2-CD1 4.1Å; I254-L258 HydrophobicContact CG2-CG 4.38Å; I254-L258 WeakPolarHBondContact O-CG 3.48Å; I254-L258 PolarHBondContact O-N 3.34Å
255S93.1Very high90.1Very high2 Ų251.9 Ų51.91%0.01427%0.273CS..Hα-helixtrans-57.7-48.5177.4-171.80000112L30 L251 S252 K257 L258 D259L30-S255 WeakPolarHBondContact CD2-OG 3.46Å; L251-S255 WeakPolarHBondContact O-CB 3.47Å; L251-S255 PolarHBondContact O-N 2.98Å; S252-S255 WeakPolarHBondContact O-CB 3.48Å; S252-S255 PolarHBondContact O-N 3.39Å; S255-K257 VanDerWaalsContact C-N 3.3Å; S255-K257 PolarHBondContact O-N 2.96Å; S255-L258 PolarHBondContact O-N 3.43Å; S255-D259 PolarHBondContact O-N 2.94Å
256E92.7Very high90.3Very high118 Ų11854.2 Ų54.255%0.55128%0.283SS*.Hα-helixtrans-60.8-40.8177.7-71.9168.1-170.500111.6S252 I254 L258 D259 L260S252-E256 WeakPolarHBondContact O-CG 3.37Å; S252-E256 PolarHBondContact O-N 3.12Å; I254-E256 PolarHBondContact O-N 3.1Å; E256-L258 VanDerWaalsContact C-N 3.33Å; E256-L258 PolarHBondContact O-N 3.49Å; E256-D259 PolarHBondContact O-N 3.07Å; E256-L260 WeakPolarHBondContact O-CG 3.28Å; E256-L260 PolarHBondContact O-N 2.89Å
257K91.1Very high90.4Very high62 Ų6251.2 Ų51.227%0.2727%0.271SS..Hα-helixtrans-64.2-38.5176.9-170174.7-172.1172.70112.3L181 P217 L219 H253 I254 S255 L260L181-K257 PolarHBondContact O-NZ 2.94Å; P217-K257 VanDerWaalsContact CB-NZ 3.3Å; L219-K257 HydrophobicContact CD2-CD 3.89Å; H253-K257 WeakPolarHBondContact O-CB 3.41Å; H253-K257 PolarHBondContact O-N 3.37Å; H253-K257 VanDerWaalsContact O-N 3.1Å; I254-K257 PolarHBondContact O-N 2.93Å; S255-K257 VanDerWaalsContact C-N 3.3Å; S255-K257 PolarHBondContact O-N 2.96Å; K257-L260 PolarHBondContact O-N 3.07Å
258L91Very high90.6Very high2 Ų254.6 Ų54.61%0.0129%0.289CS..Hα-helixtrans-67.9-37.6176.5-72174.7000112.1I8 L30 Y118 L181 I254 S255 E256 L260 M261I8-L258 HydrophobicContact CD1-CD2 3.53Å; I8-L258 HydrophobicContact CG1-CD2 4.24Å; L30-L258 HydrophobicContact CD1-CD1 3.93Å; L30-L258 HydrophobicContact CD2-CD1 4.18Å; Y118-L258 HydrophobicContact CE1-CB 3.99Å; Y118-L258 HydrophobicContact CE1-CD1 4.3Å; Y118-L258 HydrophobicContact CE1-CD2 4.4Å; Y118-L258 HydrophobicContact CE1-CG 4.47Å; Y118-L258 PolarHBondContact OH-O 3.29Å; L181-L258 HydrophobicContact CD1-CD2 3.44Å; L181-L258 VanDerWaalsContact CD1-CD2 3.44Å; I254-L258 HydrophobicContact CG2-CD1 4.1Å; I254-L258 HydrophobicContact CG2-CG 4.38Å; I254-L258 WeakPolarHBondContact O-CG 3.48Å; I254-L258 PolarHBondContact O-N 3.34Å; S255-L258 PolarHBondContact O-N 3.43Å; E256-L258 VanDerWaalsContact C-N 3.33Å; E256-L258 PolarHBondContact O-N 3.49Å; L258-L260 PolarHBondContact O-N 3.26Å; L258-M261 HydrophobicContact CD2-SD 4.16Å; L258-M261 PolarHBondContact O-N 3.48Å
259D87.3Confident90.5Very high70 Ų7058.5 Ų58.537%0.37431%0.309SS..Hα-helixtrans-70-16.3178.2-74.8-37.2000113.8K34 Y118 S255 E256K34-D259 WeakPolarHBondContact CE-OD1 3.48Å; K34-D259 IonicContact NZ-OD1 3.39Å; K34-D259 PolarHBondContact NZ-OD1 3.16Å; Y118-D259 PolarHBondContact OH-OD1 3.13Å; S255-D259 PolarHBondContact O-N 2.94Å; E256-D259 PolarHBondContact O-N 3.07Å
260L83.5Confident90.4Very high156 Ų15658.3 Ų58.382%0.81729%0.292SS*.THydrogen-bonded Turntrans-89.5-3.6176.8-68.6172.5000113.9E256 K257 L258E256-L260 WeakPolarHBondContact O-CG 3.28Å; E256-L260 PolarHBondContact O-N 2.89Å; K257-L260 PolarHBondContact O-N 3.07Å; L258-L260 PolarHBondContact O-N 3.26Å
261M77.5Confident90.1Very high157 Ų15762.6 Ų62.677%0.77331%0.314SS*.  trans-89.20179.6-66.7-179.962.500112.3L181 L258L181-M261 HydrophobicContact CD1-SD 4.48Å; L181-M261 HydrophobicContact CD2-CE 3.78Å; L181-M261 HydrophobicContact CD2-SD 3.43Å; L181-M261 WeakPolarHBondContact CD2-SD 2.98Å; L258-M261 HydrophobicContact CD2-SD 4.16Å; L258-M261 PolarHBondContact O-N 3.48Å

Retrieved 261 of 261 residues in 184.6 ms (Link to these results)

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