A0A077Z415_TRITR Loading...

PRiA4 ORF3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z415, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 180 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
1M92.1Very high96.8Very high20 Ų2036.8 Ų36.810%0.09918%0.177CC..  0138.70-74.1-56.8-70.600110.8L20 V21 P22 T108M1-L20 HydrophobicContact CE-CB 3.99Å; M1-V21 WeakPolarHBondContact CE-O 3.09Å; M1-P22 VanDerWaalsContact SD-CA 3.56Å; M1-P22 HydrophobicContact SD-CB 4.27Å; M1-P22 HydrophobicContact SD-CG 4.15Å; M1-T108 WeakPolarHBondContact CB-OG1 3.44Å; M1-T108 PolarHBondContact N-O 3.3Å; M1-T108 PolarHBondContact O-N 2.93Å; M1-T108 PolarHBondContact O-OG1 3.24Å
2Y96Very high96.4Very high7 Ų749 Ų493%0.02723%0.229CC..EExtended strand (participates in β ladder)trans-105.6130.9175.6-77.87.7000110.5L4 L20 V21 E23 L77 L81 L104 Q107Y2-L4 HydrophobicContact CD2-CD2 4.49Å; Y2-L20 WeakPolarHBondContact O-CA 3.29Å; Y2-V21 PolarHBondContact N-O 2.89Å; Y2-V21 PolarHBondContact O-N 2.93Å; Y2-E23 HydrophobicContact CD1-CB 3.64Å; Y2-E23 HydrophobicContact CD2-CB 4.01Å; Y2-E23 HydrophobicContact CE1-CB 3.35Å; Y2-E23 HydrophobicContact CE1-CG 4.3Å; Y2-E23 WeakPolarHBondContact CE1-OE2 3.35Å; Y2-E23 HydrophobicContact CE2-CB 3.75Å; Y2-E23 HydrophobicContact CG-CB 3.95Å; Y2-E23 VanDerWaalsContact CZ-CB 3.4Å; Y2-E23 PolarHBondContact OH-OE2 2.83Å; Y2-L77 HydrophobicContact CD2-CD2 3.87Å; Y2-L77 HydrophobicContact CD2-CG 4.24Å; Y2-L77 HydrophobicContact CE2-CG 4.5Å; Y2-L81 HydrophobicContact CE2-CB 4.13Å; Y2-L81 WeakPolarHBondContact CE2-O 3.35Å; Y2-L81 PolarHBondContact OH-O 3.25Å; Y2-L81 VanDerWaalsContact OH-O 3.13Å; Y2-L104 HydrophobicContact CD1-CD1 4.05Å; Y2-L104 HydrophobicContact CD2-CD1 3.76Å; Y2-L104 HydrophobicContact CD2-CD2 4.02Å; Y2-L104 HydrophobicContact CE1-CD2 4.46Å; Y2-L104 HydrophobicContact CE2-CD1 4.39Å; Y2-L104 HydrophobicContact CE2-CD2 3.82Å; Y2-L104 HydrophobicContact CG-CD1 3.57Å; Y2-L104 HydrophobicContact CG-CD2 4.43Å; Y2-Q107 HydrophobicContact CD1-CB 4.3Å; Y2-Q107 HydrophobicContact CD1-CG 3.8Å; Y2-Q107 HydrophobicContact CE1-CB 4.21Å; Y2-Q107 HydrophobicContact CE1-CG 3.56Å
3Q97.2Very high96.1Very high45 Ų4552.5 Ų52.521%0.2126%0.259CS..EExtended strand (participates in β ladder)trans-92.9112.4165.4-174.4-175.1-6800108.8R18 V19 L20 E105 K106 L119Q3-R18 HydrophobicContact CG-CG 3.81Å; Q3-V19 WeakPolarHBondContact CA-O 3.42Å; Q3-L20 HydrophobicContact CB-CD2 3.9Å; Q3-L20 HydrophobicContact CG-CD2 4.36Å; Q3-E105 PolarHBondContact NE2-OE2 3.15Å; Q3-E105 PolarHBondContact O-N 3.49Å; Q3-K106 HydrophobicContact CB-CB 4.12Å; Q3-K106 PolarHBondContact N-O 3.4Å; Q3-K106 PolarHBondContact O-N 2.91Å; Q3-L119 HydrophobicContact CG-CD1 4.22Å
4L98.4Very high96.2Very high0 Ų053.9 Ų53.90%027%0.273CS..EExtended strand (participates in β ladder)trans-105.5139.5179.3-53.7-180000110.1Y2 R18 V19 V21 L30 L77 L81 I102 V103 L104Y2-L4 HydrophobicContact CD2-CD2 4.49Å; L4-R18 CarbonylContact O-C 3.51Å; L4-R18 WeakPolarHBondContact O-CA 3.36Å; L4-V19 HydrophobicContact CB-CG2 3.96Å; L4-V19 HydrophobicContact CD1-CG2 4.47Å; L4-V19 PolarHBondContact N-O 2.68Å; L4-V19 PolarHBondContact O-N 2.66Å; L4-V21 HydrophobicContact CD1-CG2 3.57Å; L4-V21 HydrophobicContact CG-CG2 4.03Å; L4-L30 HydrophobicContact CD1-CD1 3.86Å; L4-L77 HydrophobicContact CD1-CD2 3.81Å; L4-L77 HydrophobicContact CD2-CD2 4.39Å; L4-L81 HydrophobicContact CD2-CD1 3.89Å; L4-I102 HydrophobicContact CB-CG2 4.24Å; L4-I102 HydrophobicContact CD1-CG2 4.09Å; L4-I102 HydrophobicContact CD2-CG2 4.32Å; L4-I102 HydrophobicContact CG-CG2 4.46Å; L4-V103 WeakPolarHBondContact CA-O 3.22Å; L4-L104 HydrophobicContact CD2-CB 4.3Å; L4-L104 HydrophobicContact CD2-CD1 3.94Å
5K98.7Very high96.3Very high63 Ų6351.2 Ų51.227%0.27426%0.26SS..EExtended strand (participates in β ladder)trans-105.3121.8161.7-179178.7176.3-172.10109.2W16 I102 V103 E105K5-W16 HydrophobicContact CG-CE3 4.26Å; K5-I102 WeakPolarHBondContact O-CA 3.2Å; K5-V103 PolarHBondContact N-O 2.96Å; K5-V103 PolarHBondContact O-N 3.47Å; K5-E105 HydrophobicContact CB-CG 3.94Å; K5-E105 WeakPolarHBondContact CB-OE1 3.35Å; K5-E105 VanDerWaalsContact CD-OE1 3.29Å; K5-E105 WeakPolarHBondContact CD-OE1 3.48Å
6I98.7Very high96.4Very high0 Ų050.4 Ų50.40%025%0.253CS..EExtended strand (participates in β ladder)trans-111.7121.7-179.5-51.7154.3000107.5W16 R17 V19 I34 F38 C100 V101 I102I6-W16 CarbonylContact O-C 3.58Å; I6-W16 WeakPolarHBondContact O-CA 3.27Å; I6-W16 VanDerWaalsContact O-CB 3.25Å; I6-W16 WeakPolarHBondContact O-CB 3.47Å; I6-R17 PolarHBondContact N-O 3.22Å; I6-R17 PolarHBondContact O-N 3.46Å; I6-V19 HydrophobicContact CD1-CG1 4.32Å; I6-V19 HydrophobicContact CD1-CG2 3.63Å; I6-I34 HydrophobicContact CD1-CG1 3.92Å; I6-F38 HydrophobicContact CB-CE2 4.14Å; I6-F38 HydrophobicContact CB-CZ 4.48Å; I6-F38 HydrophobicContact CG2-CE2 3.64Å; I6-F38 HydrophobicContact CG2-CZ 4.11Å; I6-C100 HydrophobicContact CG2-CB 3.76Å; I6-V101 WeakPolarHBondContact CA-O 3.43Å; I6-I102 HydrophobicContact CG1-CG1 4.2Å; I6-I102 HydrophobicContact CG1-CG2 4.42Å; I6-I102 HydrophobicContact CG2-CG1 4.17Å
7T98.6Very high96.5Very high33 Ų3347.6 Ų47.620%0.20224%0.238CC..EExtended strand (participates in β ladder)trans-128.7128.1-174.9-53.30000110.2R9 I15 W16 C100 V101T7-R9 PolarHBondContact O-N 3.22Å; T7-I15 WeakPolarHBondContact CA-O 3.46Å; T7-W16 HydrophobicContact CG2-CB 4.16Å; T7-C100 CarbonylContact O-C 3.55Å; T7-C100 VanDerWaalsContact O-CA 3.3Å; T7-C100 WeakPolarHBondContact O-CA 3.41Å; T7-V101 PolarHBondContact N-O 3.15Å; T7-V101 PolarHBondContact O-N 3.12Å
8I97.6Very high96.7Very high3 Ų347.7 Ų47.72%0.01524%0.235CC..EExtended strand (participates in β ladder)trans-64.4120170.7-60.2-176.5000107.8S11 I15 F38 W40 W98 P126I8-S11 WeakPolarHBondContact O-CB 3.22Å; I8-S11 PolarHBondContact O-N 2.78Å; I8-S11 PolarHBondContact O-OG 3.07Å; I8-I15 HydrophobicContact CB-CB 4.37Å; I8-I15 HydrophobicContact CD1-CB 4.2Å; I8-I15 HydrophobicContact CD1-CD1 4.41Å; I8-I15 HydrophobicContact CD1-CG2 3.93Å; I8-I15 HydrophobicContact CG1-CB 4.39Å; I8-I15 HydrophobicContact CG1-CG2 4.4Å; I8-I15 PolarHBondContact N-O 3.42Å; I8-F38 HydrophobicContact CD1-CD1 4Å; I8-F38 HydrophobicContact CD1-CE1 3.85Å; I8-F38 HydrophobicContact CG1-CD1 4.29Å; I8-F38 HydrophobicContact CG1-CE1 3.7Å; I8-F38 HydrophobicContact CG1-CZ 4.16Å; I8-W40 HydrophobicContact CD1-CH2 4.33Å; I8-W40 HydrophobicContact CD1-CZ2 4.17Å; I8-W98 HydrophobicContact CG2-CE3 4.4Å; I8-P126 HydrophobicContact CD1-CG 4.11Å
9R96.5Very high96.7Very high93 Ų9345.2 Ų45.235%0.35122%0.223SC..THydrogen-bonded Turntrans-58.4141.5-176.9-172.4-178.9-73.6173.37.3109.8T7 S11 D99 V101 L133T7-R9 PolarHBondContact O-N 3.22Å; R9-S11 PolarHBondContact O-N 3.32Å; R9-D99 HydrophobicContact CB-CB 3.84Å; R9-D99 VanDerWaalsContact CB-O 3.31Å; R9-D99 WeakPolarHBondContact CB-O 3.45Å; R9-D99 IonicContact CZ-OD2 3.07Å; R9-D99 PolarHBondContact N-O 2.78Å; R9-D99 IonicContact NE-OD2 2.52Å; R9-D99 IonicContact NH1-OD2 2.66Å; R9-D99 PolarHBondContact NH1-OD2 3.3Å; R9-D99 IonicContact NH2-OD2 2.96Å; R9-V101 HydrophobicContact CB-CG2 4.4Å; R9-L133 WeakPolarHBondContact O-CD2 3.48Å
10D95.3Very high96.7Very high131 Ų13143.9 Ų43.970%0.70122%0.217SC*.THydrogen-bonded Turntrans60.14.8176.7-57-39.1000117K12 L133D10-K12 PolarHBondContact O-N 2.85Å; D10-L133 HydrophobicContact CB-CD2 4.12Å; D10-L133 WeakPolarHBondContact O-CD2 3.29Å
11S95.2Very high96.7Very high10 Ų1041.8 Ų41.87%0.0721%0.206CC..  trans-62.8131.1176.859.80000112.9I8 R9 P13 P14 I15I8-S11 WeakPolarHBondContact O-CB 3.22Å; I8-S11 PolarHBondContact O-N 2.78Å; I8-S11 PolarHBondContact O-OG 3.07Å; R9-S11 PolarHBondContact O-N 3.32Å; S11-P13 CarbonylContact C-O 3.5Å; S11-P13 CarbonylContact O-C 3.38Å; S11-P14 WeakPolarHBondContact O-CA 3.42Å; S11-I15 PolarHBondContact OG-N 2.98Å
12K92.2Very high96.8Very high183 Ų18342.8 Ų42.880%0.79622%0.215SC*.SBendtrans-135.9110.9178.8-68.6179.2-174171.30110.1D10D10-K12 PolarHBondContact O-N 2.85Å
13P93.3Very high96.7Very high95 Ų9545.3 Ų45.362%0.61723%0.227SC*.SBendcis-65161.1-2.130.5-36.5000112.5S11 I15S11-P13 CarbonylContact C-O 3.5Å; S11-P13 CarbonylContact O-C 3.38Å; P13-I15 PolarHBondContact O-N 2.82Å
14P96.2Very high96.6Very high71 Ų7148.3 Ų48.346%0.46124%0.241SC..  trans-60.2131.7-178.2-25.234.2000113.3S11S11-P14 WeakPolarHBondContact O-CA 3.42Å
15I97.8Very high96.4Very high14 Ų1448.5 Ų48.57%0.07224%0.242CC..  trans-108.3116.5175.1-51.8166.3000107.9T7 I8 S11 P13 F38 K122 T124 P126T7-I15 WeakPolarHBondContact CA-O 3.46Å; I8-I15 HydrophobicContact CB-CB 4.37Å; I8-I15 HydrophobicContact CD1-CB 4.2Å; I8-I15 HydrophobicContact CD1-CD1 4.41Å; I8-I15 HydrophobicContact CD1-CG2 3.93Å; I8-I15 HydrophobicContact CG1-CB 4.39Å; I8-I15 HydrophobicContact CG1-CG2 4.4Å; I8-I15 PolarHBondContact N-O 3.42Å; S11-I15 PolarHBondContact OG-N 2.98Å; P13-I15 PolarHBondContact O-N 2.82Å; I15-F38 HydrophobicContact CG2-CD1 4.47Å; I15-F38 HydrophobicContact CG2-CE1 4.02Å; I15-K122 WeakPolarHBondContact CA-O 3.21Å; I15-T124 VanDerWaalsContact CD1-O 3.3Å; I15-T124 WeakPolarHBondContact CD1-O 3.19Å; I15-P126 HydrophobicContact CD1-CG 3.94Å
16W98.6Very high96.3Very high39 Ų3946.9 Ų46.915%0.14824%0.237CC..EExtended strand (participates in β ladder)trans-152.2158.4-175.165-86.5000113.5K5 I6 T7 R18 R120 G121 K122K5-W16 HydrophobicContact CG-CE3 4.26Å; I6-W16 CarbonylContact O-C 3.58Å; I6-W16 WeakPolarHBondContact O-CA 3.27Å; I6-W16 VanDerWaalsContact O-CB 3.25Å; I6-W16 WeakPolarHBondContact O-CB 3.47Å; T7-W16 HydrophobicContact CG2-CB 4.16Å; W16-R18 HydrophobicContact CE3-CB 4.25Å; W16-R18 HydrophobicContact CZ3-CB 3.72Å; W16-R120 HydrophobicContact CH2-CB 4.02Å; W16-R120 HydrophobicContact CZ3-CB 4.23Å; W16-R120 WeakPolarHBondContact CZ3-O 3.46Å; W16-G121 CarbonylContact O-C 3.59Å; W16-G121 WeakPolarHBondContact O-CA 3.46Å; W16-K122 HydrophobicContact CZ2-CB 4.24Å; W16-K122 PolarHBondContact N-O 3.27Å; W16-K122 PolarHBondContact O-N 2.86Å
17R98.6Very high96.2Very high2 Ų246.9 Ų46.91%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-131.6144.1173.8-55.6-65.8178-98.30.9108.9I6 V19 A37 F38 K122 G123 T125I6-R17 PolarHBondContact N-O 3.22Å; I6-R17 PolarHBondContact O-N 3.46Å; R17-V19 HydrophobicContact CB-CG1 4.49Å; R17-A37 HydrophobicContact CB-CB 4.29Å; R17-A37 HydrophobicContact CG-CB 4.1Å; R17-A37 PolarHBondContact NE-O 2.9Å; R17-A37 VanDerWaalsContact NE-O 3.07Å; R17-F38 HydrophobicContact CB-CE2 4.37Å; R17-F38 HydrophobicContact CB-CZ 4.37Å; R17-F38 HydrophobicContact CG-CD1 4.34Å; R17-F38 HydrophobicContact CG-CD2 4.27Å; R17-F38 HydrophobicContact CG-CE1 4.01Å; R17-F38 HydrophobicContact CG-CE2 3.91Å; R17-F38 HydrophobicContact CG-CG 4.49Å; R17-F38 HydrophobicContact CG-CZ 3.79Å; R17-K122 PolarHBondContact NH1-O 2.87Å; R17-G123 PolarHBondContact NH1-O 3.34Å; R17-G123 VanDerWaalsContact NH1-O 3.15Å; R17-G123 PolarHBondContact NH2-O 3.12Å; R17-T125 PolarHBondContact NH2-OG1 3.14Å; R17-T125 VanDerWaalsContact NH2-OG1 3.09Å
18R98.6Very high96.1Very high49 Ų4946.8 Ų46.819%0.18524%0.238CC..EExtended strand (participates in β ladder)trans-116115.1172.4175.4179.6-72.9119.1-0.1108.1Q3 L4 W16 E105 C118 L119 R120Q3-R18 HydrophobicContact CG-CG 3.81Å; L4-R18 CarbonylContact O-C 3.51Å; L4-R18 WeakPolarHBondContact O-CA 3.36Å; W16-R18 HydrophobicContact CE3-CB 4.25Å; W16-R18 HydrophobicContact CZ3-CB 3.72Å; R18-E105 IonicContact CZ-OE1 3.57Å; R18-E105 IonicContact CZ-OE2 2.63Å; R18-E105 VanDerWaalsContact CZ-OE2 3.3Å; R18-E105 IonicContact NE-OE1 3.68Å; R18-E105 IonicContact NE-OE2 3.11Å; R18-E105 PolarHBondContact NE-OE2 3.46Å; R18-E105 IonicContact NH2-OE1 2.74Å; R18-E105 PolarHBondContact NH2-OE1 2.87Å; R18-E105 IonicContact NH2-OE2 2.78Å; R18-E105 PolarHBondContact NH2-OE2 2.91Å; R18-E105 VanDerWaalsContact NH2-OE2 3.12Å; R18-C118 CarbonylContact O-C 3.58Å; R18-C118 WeakPolarHBondContact O-CA 3.25Å; R18-L119 HydrophobicContact CG-CB 4.3Å; R18-L119 HydrophobicContact CG-CD1 4.37Å; R18-L119 PolarHBondContact O-N 3.24Å; R18-R120 PolarHBondContact N-O 2.63Å
19V97.9Very high96.1Very high0 Ų051 Ų510%026%0.258CS..EExtended strand (participates in β ladder)trans-118.3151.9-173.2-60.20000111Q3 L4 I6 R17 V21 V33 A37 S117 C118Q3-V19 WeakPolarHBondContact CA-O 3.42Å; L4-V19 HydrophobicContact CB-CG2 3.96Å; L4-V19 HydrophobicContact CD1-CG2 4.47Å; L4-V19 PolarHBondContact N-O 2.68Å; L4-V19 PolarHBondContact O-N 2.66Å; I6-V19 HydrophobicContact CD1-CG1 4.32Å; I6-V19 HydrophobicContact CD1-CG2 3.63Å; R17-V19 HydrophobicContact CB-CG1 4.49Å; V19-V21 HydrophobicContact CG2-CG1 4.19Å; V19-V33 HydrophobicContact CB-CG1 4.47Å; V19-V33 HydrophobicContact CG1-CG1 4.41Å; V19-V33 HydrophobicContact CG2-CG1 4.34Å; V19-A37 HydrophobicContact CG1-CB 4.3Å; V19-S117 CarbonylContact C-O 3.59Å; V19-S117 WeakPolarHBondContact CA-O 3.48Å; V19-C118 HydrophobicContact CG1-CB 4.39Å
20L96.4Very high96.2Very high19 Ų1946.6 Ų46.610%0.09924%0.241CC..EExtended strand (participates in β ladder)trans-102.3127.5165.2-74.8173.1000108.6M1 Y2 Q3 I116 S117 L119M1-L20 HydrophobicContact CE-CB 3.99Å; Y2-L20 WeakPolarHBondContact O-CA 3.29Å; Q3-L20 HydrophobicContact CB-CD2 3.9Å; Q3-L20 HydrophobicContact CG-CD2 4.36Å; L20-I116 WeakPolarHBondContact O-CA 3.35Å; L20-S117 PolarHBondContact N-O 2.84Å; L20-S117 PolarHBondContact O-N 2.68Å; L20-L119 HydrophobicContact CD1-CD1 3.95Å; L20-L119 HydrophobicContact CD1-CD2 3.69Å; L20-L119 HydrophobicContact CD1-CG 4.01Å; L20-L119 HydrophobicContact CD2-CD1 4.22Å; L20-L119 HydrophobicContact CG-CD1 3.77Å; L20-L119 HydrophobicContact CG-CD2 4.2Å; L20-L119 HydrophobicContact CG-CG 3.95Å
21V96Very high96.3Very high0 Ų040.6 Ų40.60%021%0.209CC..EExtended strand (participates in β ladder)trans-138.2153.3176.1-63.40000111.1M1 Y2 L4 V19 I25 L30 V33 L77 I116M1-V21 WeakPolarHBondContact CE-O 3.09Å; Y2-V21 PolarHBondContact N-O 2.89Å; Y2-V21 PolarHBondContact O-N 2.93Å; L4-V21 HydrophobicContact CD1-CG2 3.57Å; L4-V21 HydrophobicContact CG-CG2 4.03Å; V19-V21 HydrophobicContact CG2-CG1 4.19Å; V21-I25 HydrophobicContact CB-CD1 4.21Å; V21-I25 HydrophobicContact CB-CG2 4.3Å; V21-I25 HydrophobicContact CG1-CD1 4.26Å; V21-I25 HydrophobicContact CG2-CG2 4.22Å; V21-L30 HydrophobicContact CG1-CD1 4.49Å; V21-V33 HydrophobicContact CG1-CG1 4Å; V21-V33 HydrophobicContact CG1-CG2 4.32Å; V21-L77 HydrophobicContact CG2-CD2 3.94Å; V21-I116 HydrophobicContact CG1-CG1 4.45Å; V21-I116 HydrophobicContact CG1-CG2 4.16Å
22P94.6Very high96.5Very high42 Ų4241.5 Ų41.527%0.27322%0.217SC..  trans-58.7145.1168.7-21.933.2000110.6M1 Q24 I25M1-P22 VanDerWaalsContact SD-CA 3.56Å; M1-P22 HydrophobicContact SD-CB 4.27Å; M1-P22 HydrophobicContact SD-CG 4.15Å; P22-Q24 PolarHBondContact O-N 3.12Å; P22-I25 HydrophobicContact CB-CB 4.46Å; P22-I25 WeakPolarHBondContact O-CB 3.35Å; P22-I25 WeakPolarHBondContact O-CG2 3.21Å; P22-I25 PolarHBondContact O-N 2.66Å
23E94.6Very high96.7Very high60 Ų6032.8 Ų32.828%0.2818%0.179SC..THydrogen-bonded Turntrans-72.1-22.2175.268.6-173.516800111.8Y2 I25 L77 W78Y2-E23 HydrophobicContact CD1-CB 3.64Å; Y2-E23 HydrophobicContact CD2-CB 4.01Å; Y2-E23 HydrophobicContact CE1-CB 3.35Å; Y2-E23 HydrophobicContact CE1-CG 4.3Å; Y2-E23 WeakPolarHBondContact CE1-OE2 3.35Å; Y2-E23 HydrophobicContact CE2-CB 3.75Å; Y2-E23 HydrophobicContact CG-CB 3.95Å; Y2-E23 VanDerWaalsContact CZ-CB 3.4Å; Y2-E23 PolarHBondContact OH-OE2 2.83Å; E23-I25 VanDerWaalsContact C-N 3.29Å; E23-L77 PolarHBondContact O-N 3.42Å; E23-W78 HydrophobicContact CB-CB 4.33Å; E23-W78 VanDerWaalsContact O-CD1 3.28Å; E23-W78 PolarHBondContact O-N 2.86Å
24Q94.2Very high97Very high108 Ų10828.2 Ų28.251%0.50515%0.15SC..THydrogen-bonded Turntrans-81.2-6.1176.2-61.975.816.500113.2P22 P26P22-Q24 PolarHBondContact O-N 3.12Å; Q24-P26 WeakPolarHBondContact O-CD 3.22Å
25I95.2Very high97.1Very high4 Ų425.1 Ų25.12%0.02113%0.129CC..  trans-55.2128-178.9-165.2172.3000109.7V21 P22 E23 E29 L30 V33 P76 L77 I116V21-I25 HydrophobicContact CB-CD1 4.21Å; V21-I25 HydrophobicContact CB-CG2 4.3Å; V21-I25 HydrophobicContact CG1-CD1 4.26Å; V21-I25 HydrophobicContact CG2-CG2 4.22Å; P22-I25 HydrophobicContact CB-CB 4.46Å; P22-I25 WeakPolarHBondContact O-CB 3.35Å; P22-I25 WeakPolarHBondContact O-CG2 3.21Å; P22-I25 PolarHBondContact O-N 2.66Å; E23-I25 VanDerWaalsContact C-N 3.29Å; I25-E29 HydrophobicContact CD1-CB 3.84Å; I25-E29 HydrophobicContact CG1-CB 3.49Å; I25-E29 VanDerWaalsContact CG1-CB 3.49Å; I25-L30 HydrophobicContact CG2-CB 4.43Å; I25-V33 HydrophobicContact CD1-CG2 4.03Å; I25-P76 WeakPolarHBondContact O-CA 3.5Å; I25-L77 HydrophobicContact CG2-CB 3.78Å; I25-L77 HydrophobicContact CG2-CD2 3.95Å; I25-L77 PolarHBondContact O-N 2.82Å; I25-I116 HydrophobicContact CD1-CD1 3.95Å
26P96.1Very high97Very high28 Ų2826.5 Ų26.518%0.18214%0.136CC..BIsolated β-bridgetrans-62.3153.1171.4-21.232.4000111.1Q24 S28 E29 L30 A73 T75Q24-P26 WeakPolarHBondContact O-CD 3.22Å; P26-S28 PolarHBondContact O-N 2.77Å; P26-E29 PolarHBondContact O-N 2.86Å; P26-E29 VanDerWaalsContact O-N 3.11Å; P26-L30 PolarHBondContact O-N 3.22Å; P26-A73 WeakPolarHBondContact CB-O 3.36Å; P26-T75 WeakPolarHBondContact CA-O 3.37Å
27F97.3Very high97Very high0 Ų024.6 Ų24.60%013%0.129CC..Hα-helixtrans-58.4-33.3175.7-78.6-64.6000113.4L30 H31 F48 W63 A72 T75 L77 A80 L88F27-L30 HydrophobicContact CD1-CD2 4.21Å; F27-L30 HydrophobicContact CE1-CD2 4.46Å; F27-L30 PolarHBondContact O-N 2.95Å; F27-H31 WeakPolarHBondContact O-CB 3.06Å; F27-H31 PolarHBondContact O-N 3.37Å; F27-F48 HydrophobicContact CB-CD2 3.77Å; F27-F48 HydrophobicContact CB-CE2 3.75Å; F27-F48 HydrophobicContact CB-CZ 4.46Å; F27-F48 HydrophobicContact CD1-CB 4.18Å; F27-F48 AromaticContact CD1-CD1 3.87Å; F27-F48 HydrophobicContact CD1-CD1 3.87Å; F27-F48 AromaticContact CD1-CD2 3.77Å; F27-F48 HydrophobicContact CD1-CD2 3.77Å; F27-F48 HydrophobicContact CD1-CE1 4.09Å; F27-F48 HydrophobicContact CD1-CE2 4.03Å; F27-F48 AromaticContact CD1-CG 3.66Å; F27-F48 HydrophobicContact CD1-CG 3.66Å; F27-F48 HydrophobicContact CD1-CZ 4.16Å; F27-F48 HydrophobicContact CE1-CB 4.43Å; F27-F48 HydrophobicContact CE1-CD1 4.29Å; F27-F48 HydrophobicContact CE1-CG 4.25Å; F27-F48 AromaticContact CG-CD2 3.99Å; F27-F48 HydrophobicContact CG-CD2 3.99Å; F27-F48 HydrophobicContact CG-CE2 4.3Å; F27-F48 HydrophobicContact CG-CG 4.27Å; F27-F48 VanDerWaalsContact O-CE2 3.22Å; F27-F48 WeakPolarHBondContact O-CE2 3.45Å; F27-F48 WeakPolarHBondContact O-CZ 3.17Å; F27-W63 HydrophobicContact CD2-CB 4.02Å; F27-W63 HydrophobicContact CD2-CD2 4.15Å; F27-W63 AromaticContact CD2-CG 3.86Å; F27-W63 HydrophobicContact CD2-CG 3.86Å; F27-W63 AromaticContact CE2-CD2 3.74Å; F27-W63 HydrophobicContact CE2-CD2 3.74Å; F27-W63 AromaticContact CE2-CE2 3.98Å; F27-W63 HydrophobicContact CE2-CE3 4.05Å; F27-W63 AromaticContact CE2-CG 3.94Å; F27-W63 HydrophobicContact CE2-CG 3.94Å; F27-W63 HydrophobicContact CE2-CZ2 4.46Å; F27-W63 HydrophobicContact CG-CB 4.45Å; F27-W63 HydrophobicContact CZ-CD2 4.35Å; F27-W63 HydrophobicContact CZ-CE3 4.2Å; F27-W63 HydrophobicContact CZ-CZ3 4.42Å; F27-A72 HydrophobicContact CB-CB 3.78Å; F27-A72 WeakPolarHBondContact CB-O 3.43Å; F27-A72 PolarHBondContact N-O 3.5Å; F27-T75 HydrophobicContact CD2-CG2 4.09Å; F27-T75 WeakPolarHBondContact CD2-O 3.44Å; F27-T75 HydrophobicContact CE2-CG2 3.85Å; F27-T75 PolarHBondContact N-O 3.45Å; F27-T75 VanDerWaalsContact N-O 3.12Å; F27-L77 HydrophobicContact CD1-CD1 4.37Å; F27-L77 HydrophobicContact CE1-CD1 3.57Å; F27-L77 HydrophobicContact CZ-CD1 4.12Å; F27-A80 HydrophobicContact CZ-CB 3.69Å; F27-L88 HydrophobicContact CD1-CD2 4.2Å; F27-L88 HydrophobicContact CE1-CD2 3.44Å; F27-L88 VanDerWaalsContact CE1-CD2 3.44Å; F27-L88 HydrophobicContact CZ-CD2 4.24Å
28S96.7Very high96.9Very high32 Ų3224.6 Ų24.622%0.22413%0.129CC..Hα-helixtrans-64.2-37.8175.461.40000113P26 H31 A32 A72 A73P26-S28 PolarHBondContact O-N 2.77Å; S28-H31 WeakPolarHBondContact O-CB 3.48Å; S28-H31 PolarHBondContact O-N 2.8Å; S28-A32 PolarHBondContact O-N 2.87Å; S28-A72 PolarHBondContact N-O 2.8Å; S28-A73 WeakPolarHBondContact OG-CA 3.37Å
29E97.1Very high96.7Very high91 Ų9122.9 Ų22.943%0.42513%0.126SC..Hα-helixtrans-74.8-35.7174.8-74.3-174.9-16700111I25 P26 H31 A32 V33I25-E29 HydrophobicContact CD1-CB 3.84Å; I25-E29 HydrophobicContact CG1-CB 3.49Å; I25-E29 VanDerWaalsContact CG1-CB 3.49Å; P26-E29 PolarHBondContact O-N 2.86Å; P26-E29 VanDerWaalsContact O-N 3.11Å; E29-H31 VanDerWaalsContact C-N 3.27Å; E29-H31 PolarHBondContact O-N 2.91Å; E29-A32 WeakPolarHBondContact O-CB 3.33Å; E29-A32 PolarHBondContact O-N 3.09Å; E29-V33 WeakPolarHBondContact O-CG2 3.32Å; E29-V33 PolarHBondContact O-N 3.27Å
30L98.1Very high96.6Very high0 Ų023.3 Ų23.30%013%0.128CC..Hα-helixtrans-60.6-38.8170.9179.461.4000111.6L4 V21 I25 P26 F27 V33 I34 F48 L77 I102L4-L30 HydrophobicContact CD1-CD1 3.86Å; V21-L30 HydrophobicContact CG1-CD1 4.49Å; I25-L30 HydrophobicContact CG2-CB 4.43Å; P26-L30 PolarHBondContact O-N 3.22Å; F27-L30 HydrophobicContact CD1-CD2 4.21Å; F27-L30 HydrophobicContact CE1-CD2 4.46Å; F27-L30 PolarHBondContact O-N 2.95Å; L30-V33 WeakPolarHBondContact O-CB 3.46Å; L30-V33 PolarHBondContact O-N 3.16Å; L30-I34 HydrophobicContact CD1-CD1 4.5Å; L30-I34 HydrophobicContact CD1-CG1 4.5Å; L30-I34 HydrophobicContact CG-CD1 4.1Å; L30-I34 VanDerWaalsContact O-CG1 3.28Å; L30-I34 WeakPolarHBondContact O-CG1 3.44Å; L30-I34 PolarHBondContact O-N 2.97Å; L30-F48 HydrophobicContact CB-CZ 4.27Å; L30-F48 HydrophobicContact CD2-CE1 3.79Å; L30-F48 HydrophobicContact CD2-CZ 4.17Å; L30-F48 HydrophobicContact CG-CE1 4.13Å; L30-F48 HydrophobicContact CG-CZ 4.13Å; L30-L77 HydrophobicContact CD2-CD1 3.68Å; L30-L77 HydrophobicContact CD2-CD2 4.29Å; L30-I102 HydrophobicContact CD2-CD1 4.32Å
31H98Very high96.5Very high5 Ų527.2 Ų27.22%0.02315%0.149CC..Hα-helixtrans-56.3-51171.7159.673.8000110.8F27 S28 E29 V33 I34 Q35 D42 Y46 F48 Y90F27-H31 WeakPolarHBondContact O-CB 3.06Å; F27-H31 PolarHBondContact O-N 3.37Å; S28-H31 WeakPolarHBondContact O-CB 3.48Å; S28-H31 PolarHBondContact O-N 2.8Å; E29-H31 VanDerWaalsContact C-N 3.27Å; E29-H31 PolarHBondContact O-N 2.91Å; H31-V33 VanDerWaalsContact C-N 3.29Å; H31-V33 PolarHBondContact O-N 3.13Å; H31-I34 WeakPolarHBondContact O-CB 3.43Å; H31-I34 PolarHBondContact O-N 3.07Å; H31-Q35 WeakPolarHBondContact O-CG 3.49Å; H31-Q35 PolarHBondContact O-N 2.63Å; H31-D42 IonicContact CD2-OD1 3.72Å; H31-D42 IonicContact CE1-OD1 2.77Å; H31-D42 PolarHBondContact CE1-OD1 2.87Å; H31-D42 IonicContact NE2-OD1 3.38Å; H31-D42 PolarHBondContact NE2-OD1 2.95Å; H31-D42 IonicContact NE2-OD2 2.83Å; H31-D42 PolarHBondContact NE2-OD2 2.82Å; H31-Y46 HydrophobicContact CB-CD2 4.01Å; H31-Y46 HydrophobicContact CB-CE1 4.35Å; H31-Y46 HydrophobicContact CB-CE2 3.8Å; H31-Y46 HydrophobicContact CB-CG 4.39Å; H31-Y46 AromaticContact CD2-CD1 3.82Å; H31-Y46 AromaticContact CD2-CE1 3.5Å; H31-Y46 AromaticContact CD2-CZ 3.88Å; H31-Y46 AromaticContact CE1-CD1 3.36Å; H31-Y46 WeakPolarHBondContact CE1-CD1 3.17Å; H31-Y46 AromaticContact CE1-CE1 3.87Å; H31-Y46 AromaticContact CE1-CG 3.8Å; H31-Y46 AromaticContact CG-CD1 3.71Å; H31-Y46 AromaticContact CG-CD2 3.99Å; H31-Y46 AromaticContact CG-CE1 3.68Å; H31-Y46 AromaticContact CG-CE2 3.97Å; H31-Y46 AromaticContact CG-CG 3.87Å; H31-Y46 AromaticContact CG-CZ 3.82Å; H31-Y46 AromaticContact ND1-CD1 3.47Å; H31-Y46 WeakPolarHBondContact ND1-CD1 3.26Å; H31-Y46 AromaticContact ND1-CD2 3.95Å; H31-Y46 AromaticContact ND1-CE1 3.95Å; H31-Y46 AromaticContact ND1-CG 3.47Å; H31-Y46 AromaticContact NE2-CD1 3.58Å; H31-Y46 AromaticContact NE2-CE1 3.61Å; H31-F48 HydrophobicContact CB-CE2 4.12Å; H31-F48 HydrophobicContact CB-CZ 4.11Å; H31-Y90 HydrophobicContact CB-CE2 4.13Å; H31-Y90 PolarHBondContact CE1-OH 2.85Å; H31-Y90 VanDerWaalsContact CE1-OH 3.25Å; H31-Y90 AromaticContact ND1-CE2 3.45Å; H31-Y90 WeakPolarHBondContact ND1-CE2 3.3Å; H31-Y90 AromaticContact ND1-CZ 3.46Å; H31-Y90 PolarHBondContact ND1-OH 2.56Å
32A98Very high96.5Very high29 Ų2931.2 Ų31.224%0.2417%0.17CC..Hα-helixtrans-59-38.717600000112.6S28 E29 I34 Q35 L36 I179S28-A32 PolarHBondContact O-N 2.87Å; E29-A32 WeakPolarHBondContact O-CB 3.33Å; E29-A32 PolarHBondContact O-N 3.09Å; A32-I34 PolarHBondContact O-N 3.45Å; A32-Q35 PolarHBondContact O-N 2.78Å; A32-L36 WeakPolarHBondContact O-CG 3.23Å; A32-L36 PolarHBondContact O-N 3.25Å; A32-I179 HydrophobicContact CB-CD1 3.52Å
33V98.3Very high96.5Very high0 Ų035 Ų350%019%0.185CC..Hα-helixtrans-61-43.5173.3172.30000111.7V19 V21 I25 E29 L30 H31 A37 I116 L176 I179V19-V33 HydrophobicContact CB-CG1 4.47Å; V19-V33 HydrophobicContact CG1-CG1 4.41Å; V19-V33 HydrophobicContact CG2-CG1 4.34Å; V21-V33 HydrophobicContact CG1-CG1 4Å; V21-V33 HydrophobicContact CG1-CG2 4.32Å; I25-V33 HydrophobicContact CD1-CG2 4.03Å; E29-V33 WeakPolarHBondContact O-CG2 3.32Å; E29-V33 PolarHBondContact O-N 3.27Å; L30-V33 WeakPolarHBondContact O-CB 3.46Å; L30-V33 PolarHBondContact O-N 3.16Å; H31-V33 VanDerWaalsContact C-N 3.29Å; H31-V33 PolarHBondContact O-N 3.13Å; V33-A37 WeakPolarHBondContact O-CB 3.14Å; V33-A37 PolarHBondContact O-N 3.35Å; V33-I116 HydrophobicContact CG1-CG2 4.1Å; V33-I116 HydrophobicContact CG2-CD1 4.14Å; V33-I116 HydrophobicContact CG2-CG2 3.7Å; V33-L176 HydrophobicContact CB-CD2 4.49Å; V33-L176 HydrophobicContact CG1-CD2 4.04Å; V33-I179 HydrophobicContact CG2-CD1 4.11Å
34I98.4Very high96.5Very high0 Ų035 Ų350%018%0.184CC..Hα-helixtrans-63.8-48.4178-65.2162.2000109.9I6 L30 H31 A32 L36 A37 F38 F48 Y90 I102I6-I34 HydrophobicContact CD1-CG1 3.92Å; L30-I34 HydrophobicContact CD1-CD1 4.5Å; L30-I34 HydrophobicContact CD1-CG1 4.5Å; L30-I34 HydrophobicContact CG-CD1 4.1Å; L30-I34 VanDerWaalsContact O-CG1 3.28Å; L30-I34 WeakPolarHBondContact O-CG1 3.44Å; L30-I34 PolarHBondContact O-N 2.97Å; H31-I34 WeakPolarHBondContact O-CB 3.43Å; H31-I34 PolarHBondContact O-N 3.07Å; A32-I34 PolarHBondContact O-N 3.45Å; I34-L36 PolarHBondContact O-N 3.16Å; I34-A37 PolarHBondContact O-N 2.87Å; I34-A37 VanDerWaalsContact O-N 3.15Å; I34-F38 HydrophobicContact CG2-CD2 3.86Å; I34-F38 HydrophobicContact CG2-CE2 4.21Å; I34-F38 WeakPolarHBondContact O-CD2 3.49Å; I34-F38 PolarHBondContact O-N 2.92Å; I34-F48 HydrophobicContact CD1-CE1 3.92Å; I34-F48 HydrophobicContact CD1-CZ 4.13Å; I34-Y90 HydrophobicContact CB-CE1 4.31Å; I34-Y90 HydrophobicContact CD1-CD1 3.94Å; I34-Y90 HydrophobicContact CD1-CD2 3.87Å; I34-Y90 HydrophobicContact CD1-CE1 4.27Å; I34-Y90 HydrophobicContact CD1-CE2 4.21Å; I34-Y90 HydrophobicContact CD1-CG 3.69Å; I34-Y90 HydrophobicContact CG2-CD1 3.9Å; I34-Y90 HydrophobicContact CG2-CE1 3.56Å; I34-I102 HydrophobicContact CD1-CD1 3.83Å
35Q97.8Very high96.6Very high5 Ų534.3 Ų34.32%0.02318%0.184CC..Hα-helixtrans-53.6-50.7177.7-69.2-66.8-43.200111.2H31 A32 F38 G39 W40 D42 Y90 Y92H31-Q35 WeakPolarHBondContact O-CG 3.49Å; H31-Q35 PolarHBondContact O-N 2.63Å; A32-Q35 PolarHBondContact O-N 2.78Å; Q35-F38 PolarHBondContact O-N 2.91Å; Q35-G39 WeakPolarHBondContact O-CA 3.43Å; Q35-G39 PolarHBondContact O-N 3.3Å; Q35-W40 PolarHBondContact O-N 3.16Å; Q35-D42 HydrophobicContact CG-CB 4.18Å; Q35-Y90 PolarHBondContact NE2-OH 3.07Å; Q35-Y92 VanDerWaalsContact NE2-CE2 3.31Å; Q35-Y92 VanDerWaalsContact NE2-CZ 3.35Å
36L97Very high96.6Very high43 Ų4334.7 Ų34.723%0.22519%0.185CC..Hα-helixtrans-70.4-32.9178.6-63.4176.8000113.4A32 I34 R175 L176 A178 I179A32-L36 WeakPolarHBondContact O-CG 3.23Å; A32-L36 PolarHBondContact O-N 3.25Å; I34-L36 PolarHBondContact O-N 3.16Å; L36-R175 HydrophobicContact CB-CB 4.22Å; L36-R175 HydrophobicContact CD2-CB 4.21Å; L36-R175 PolarHBondContact O-NE 3.43Å; L36-R175 PolarHBondContact O-NH2 2.89Å; L36-L176 HydrophobicContact CB-CD2 3.91Å; L36-L176 HydrophobicContact CD1-CD2 4.44Å; L36-A178 HydrophobicContact CD1-CB 4.48Å; L36-I179 HydrophobicContact CD1-CD1 3.36Å; L36-I179 HydrophobicContact CD1-CG1 3.65Å; L36-I179 HydrophobicContact CG-CD1 4.38Å
37A97.5Very high96.6Very high0 Ų034.3 Ų34.30%018%0.181CC..Hα-helixtrans-68.9-35.6178.400000112.2R17 V19 V33 I34 R175R17-A37 HydrophobicContact CB-CB 4.29Å; R17-A37 HydrophobicContact CG-CB 4.1Å; R17-A37 PolarHBondContact NE-O 2.9Å; R17-A37 VanDerWaalsContact NE-O 3.07Å; V19-A37 HydrophobicContact CG1-CB 4.3Å; V33-A37 WeakPolarHBondContact O-CB 3.14Å; V33-A37 PolarHBondContact O-N 3.35Å; I34-A37 PolarHBondContact O-N 2.87Å; I34-A37 VanDerWaalsContact O-N 3.15Å; A37-R175 PolarHBondContact O-NH2 2.99Å
38F96.7Very high96.6Very high2 Ų234.3 Ų34.31%0.00918%0.181CC..Hα-helixtrans-90-24.3176.5-76.6-81.9000112.6I6 I8 I15 R17 I34 Q35 W40 T125I6-F38 HydrophobicContact CB-CE2 4.14Å; I6-F38 HydrophobicContact CB-CZ 4.48Å; I6-F38 HydrophobicContact CG2-CE2 3.64Å; I6-F38 HydrophobicContact CG2-CZ 4.11Å; I8-F38 HydrophobicContact CD1-CD1 4Å; I8-F38 HydrophobicContact CD1-CE1 3.85Å; I8-F38 HydrophobicContact CG1-CD1 4.29Å; I8-F38 HydrophobicContact CG1-CE1 3.7Å; I8-F38 HydrophobicContact CG1-CZ 4.16Å; I15-F38 HydrophobicContact CG2-CD1 4.47Å; I15-F38 HydrophobicContact CG2-CE1 4.02Å; R17-F38 HydrophobicContact CB-CE2 4.37Å; R17-F38 HydrophobicContact CB-CZ 4.37Å; R17-F38 HydrophobicContact CG-CD1 4.34Å; R17-F38 HydrophobicContact CG-CD2 4.27Å; R17-F38 HydrophobicContact CG-CE1 4.01Å; R17-F38 HydrophobicContact CG-CE2 3.91Å; R17-F38 HydrophobicContact CG-CG 4.49Å; R17-F38 HydrophobicContact CG-CZ 3.79Å; I34-F38 HydrophobicContact CG2-CD2 3.86Å; I34-F38 HydrophobicContact CG2-CE2 4.21Å; I34-F38 WeakPolarHBondContact O-CD2 3.49Å; I34-F38 PolarHBondContact O-N 2.92Å; Q35-F38 PolarHBondContact O-N 2.91Å; F38-W40 HydrophobicContact CB-CD2 4.12Å; F38-W40 HydrophobicContact CB-CE3 4.18Å; F38-T125 HydrophobicContact CB-CG2 3.74Å; F38-T125 HydrophobicContact CD1-CG2 3.95Å; F38-T125 HydrophobicContact CG-CG2 4.33Å; F38-T125 WeakPolarHBondContact O-CB 3.49Å; F38-T125 WeakPolarHBondContact O-CG2 3.32Å; F38-T125 PolarHBondContact O-OG1 2.96Å
39G94.9Very high96.6Very high12 Ų1234.6 Ų34.612%0.12418%0.179CC..THydrogen-bonded Turntrans81.633.6-176.800000113.8Q35 R175Q35-G39 WeakPolarHBondContact O-CA 3.43Å; Q35-G39 PolarHBondContact O-N 3.3Å; G39-R175 VanDerWaalsContact CA-CZ 3.4Å
40W95.5Very high96.4Very high9 Ų931.9 Ų31.93%0.03417%0.166CC..  trans-86.9171.2166.1-67.5-33.8000110.2I8 Q35 F38 Y90 Y92 W98 T125 P126 E128I8-W40 HydrophobicContact CD1-CH2 4.33Å; I8-W40 HydrophobicContact CD1-CZ2 4.17Å; Q35-W40 PolarHBondContact O-N 3.16Å; F38-W40 HydrophobicContact CB-CD2 4.12Å; F38-W40 HydrophobicContact CB-CE3 4.18Å; W40-Y90 HydrophobicContact CZ3-CE1 4.38Å; W40-Y92 HydrophobicContact CB-CE1 4.42Å; W40-Y92 HydrophobicContact CD2-CD1 4.23Å; W40-Y92 HydrophobicContact CD2-CE1 4.37Å; W40-Y92 AromaticContact CE3-CD1 3.76Å; W40-Y92 HydrophobicContact CE3-CD1 3.76Å; W40-Y92 HydrophobicContact CE3-CE1 4.22Å; W40-Y92 HydrophobicContact CZ3-CD1 4.02Å; W40-W98 HydrophobicContact CH2-CB 3.74Å; W40-W98 HydrophobicContact CH2-CD2 4.41Å; W40-W98 HydrophobicContact CH2-CG 4.01Å; W40-W98 HydrophobicContact CZ2-CB 4.22Å; W40-W98 HydrophobicContact CZ2-CD2 4.03Å; W40-W98 HydrophobicContact CZ2-CE3 4.32Å; W40-W98 AromaticContact CZ2-CG 3.98Å; W40-W98 HydrophobicContact CZ2-CG 3.98Å; W40-W98 HydrophobicContact CZ3-CB 4.4Å; W40-T125 HydrophobicContact CZ2-CG2 4.31Å; W40-P126 PolarHBondContact NE1-O 3.5Å; W40-E128 HydrophobicContact CG-CB 4.48Å
41N94.3Very high96Very high101 Ų10133.6 Ų33.654%0.5418%0.183SC..  trans-113.33.8-165.3-56.6-63000114.5E43 E128N41-E43 HydrophobicContact CB-CG 3.87Å; N41-E128 PolarHBondContact N-OE2 2.86Å; N41-E128 PolarHBondContact ND2-OE2 3.12Å
42D95.8Very high95.1Very high84 Ų8442.2 Ų42.245%0.44922%0.215SC..  trans58.146.4-179.6-164.118.9000113.3H31 Q35 Y92H31-D42 IonicContact CD2-OD1 3.72Å; H31-D42 IonicContact CE1-OD1 2.77Å; H31-D42 PolarHBondContact CE1-OD1 2.87Å; H31-D42 IonicContact NE2-OD1 3.38Å; H31-D42 PolarHBondContact NE2-OD1 2.95Å; H31-D42 IonicContact NE2-OD2 2.83Å; H31-D42 PolarHBondContact NE2-OD2 2.82Å; Q35-D42 HydrophobicContact CG-CB 4.18Å; D42-Y92 WeakPolarHBondContact CA-OH 3.28Å; D42-Y92 PolarHBondContact N-OH 3.41Å
43E95.1Very high94.2Very high123 Ų12348.6 Ų48.658%0.57524%0.238SC*.  trans-92.9-10.7-179.6-62.7-177.8158.800113.8N41 Y92 E128N41-E43 HydrophobicContact CB-CG 3.87Å; E43-Y92 PolarHBondContact N-OH 2.84Å; E43-E128 PolarHBondContact N-OE1 2.77Å
44H95.2Very high93.1Very high58 Ų5852.2 Ų52.227%0.26927%0.274SS..SBendtrans-130.9167.6-170.8-57.4-73.2000114.4Y92 D93 E128 N129H44-Y92 HydrophobicContact CB-CD2 4.48Å; H44-Y92 HydrophobicContact CB-CE2 3.81Å; H44-Y92 PolarHBondContact N-OH 3.01Å; H44-Y92 VanDerWaalsContact O-CE2 3.26Å; H44-Y92 WeakPolarHBondContact O-CE2 3.4Å; H44-D93 HydrophobicContact CB-CB 3.81Å; H44-D93 IonicContact CD2-OD2 3.37Å; H44-D93 PolarHBondContact CD2-OD2 3.13Å; H44-D93 IonicContact CE1-OD2 3.65Å; H44-D93 IonicContact CG-OD2 3.81Å; H44-D93 IonicContact ND1-OD2 4Å; H44-D93 IonicContact NE2-OD2 3.25Å; H44-D93 PolarHBondContact NE2-OD2 3.01Å; H44-E128 IonicContact CD2-OE1 3.32Å; H44-E128 PolarHBondContact CD2-OE1 2.83Å; H44-E128 IonicContact NE2-OE1 3.97Å; H44-N129 PolarHBondContact CE1-OD1 3.21Å; H44-N129 PolarHBondContact NE2-OD1 3.01Å
45L95.1Very high92.2Very high95 Ų9556.6 Ų56.650%0.49730%0.298SS..  trans-67153.2174-63.3176.2000112E65 D93 F94L45-E65 WeakPolarHBondContact CD2-OE2 3.39Å; L45-D93 PolarHBondContact O-N 3.27Å; L45-F94 HydrophobicContact CB-CD2 3.96Å; L45-F94 HydrophobicContact CB-CE1 4.39Å; L45-F94 HydrophobicContact CB-CE2 3.65Å; L45-F94 HydrophobicContact CB-CG 4.46Å; L45-F94 HydrophobicContact CB-CZ 3.88Å; L45-F94 HydrophobicContact CD1-CD2 4.06Å; L45-F94 HydrophobicContact CD1-CE2 3.98Å; L45-F94 HydrophobicContact CG-CE2 4.48Å
46Y96.6Very high91Very high12 Ų1262.2 Ų62.25%0.04734%0.335CS..EExtended strand (participates in β ladder)trans-137161.6175.567.6-85.7000112.9H31 F48 E65 A72 Y90 T91H31-Y46 HydrophobicContact CB-CD2 4.01Å; H31-Y46 HydrophobicContact CB-CE1 4.35Å; H31-Y46 HydrophobicContact CB-CE2 3.8Å; H31-Y46 HydrophobicContact CB-CG 4.39Å; H31-Y46 AromaticContact CD2-CD1 3.82Å; H31-Y46 AromaticContact CD2-CE1 3.5Å; H31-Y46 AromaticContact CD2-CZ 3.88Å; H31-Y46 AromaticContact CE1-CD1 3.36Å; H31-Y46 WeakPolarHBondContact CE1-CD1 3.17Å; H31-Y46 AromaticContact CE1-CE1 3.87Å; H31-Y46 AromaticContact CE1-CG 3.8Å; H31-Y46 AromaticContact CG-CD1 3.71Å; H31-Y46 AromaticContact CG-CD2 3.99Å; H31-Y46 AromaticContact CG-CE1 3.68Å; H31-Y46 AromaticContact CG-CE2 3.97Å; H31-Y46 AromaticContact CG-CG 3.87Å; H31-Y46 AromaticContact CG-CZ 3.82Å; H31-Y46 AromaticContact ND1-CD1 3.47Å; H31-Y46 WeakPolarHBondContact ND1-CD1 3.26Å; H31-Y46 AromaticContact ND1-CD2 3.95Å; H31-Y46 AromaticContact ND1-CE1 3.95Å; H31-Y46 AromaticContact ND1-CG 3.47Å; H31-Y46 AromaticContact NE2-CD1 3.58Å; H31-Y46 AromaticContact NE2-CE1 3.61Å; Y46-F48 HydrophobicContact CD2-CD2 4.16Å; Y46-F48 AromaticContact CD2-CE2 3.79Å; Y46-F48 HydrophobicContact CD2-CE2 3.79Å; Y46-F48 HydrophobicContact CE2-CD2 4.27Å; Y46-F48 AromaticContact CE2-CE2 3.81Å; Y46-F48 HydrophobicContact CE2-CE2 3.81Å; Y46-E65 HydrophobicContact CD1-CG 4.29Å; Y46-E65 VanDerWaalsContact CE1-CD 3.48Å; Y46-E65 HydrophobicContact CE1-CG 3.59Å; Y46-E65 VanDerWaalsContact CE1-OE1 3.27Å; Y46-E65 WeakPolarHBondContact CE1-OE1 3.49Å; Y46-A72 HydrophobicContact CE2-CB 4.17Å; Y46-Y90 HydrophobicContact CD2-CE2 4.04Å; Y46-Y90 HydrophobicContact CG-CE2 4.09Å; Y46-T91 CarbonylContact C-O 3.51Å; Y46-T91 WeakPolarHBondContact CA-O 3.14Å
47M96.4Very high89.7Confident20 Ų2064.5 Ų64.510%0.09937%0.369CS..EExtended strand (participates in β ladder)trans-147.3160165.672.7176.280.300112.1E49 V62 W63 M69 Y90 T91 F94M47-E49 HydrophobicContact CG-CG 4.31Å; M47-E49 HydrophobicContact SD-CG 3.99Å; M47-V62 HydrophobicContact CB-CG1 4.29Å; M47-V62 HydrophobicContact SD-CG1 4.1Å; M47-W63 CarbonylContact C-O 3.48Å; M47-W63 WeakPolarHBondContact CA-O 3.31Å; M47-M69 HydrophobicContact CB-SD 4.41Å; M47-M69 HydrophobicContact CE-CE 4.17Å; M47-Y90 CarbonylContact O-C 3.5Å; M47-Y90 WeakPolarHBondContact O-CA 3.49Å; M47-T91 PolarHBondContact N-O 2.91Å; M47-T91 PolarHBondContact O-N 2.85Å; M47-F94 HydrophobicContact CB-CZ 4.32Å; M47-F94 HydrophobicContact CE-CD1 4.4Å; M47-F94 HydrophobicContact CE-CE1 3.63Å; M47-F94 HydrophobicContact CE-CE2 4Å; M47-F94 HydrophobicContact CE-CZ 3.4Å; M47-F94 VanDerWaalsContact CE-CZ 3.4Å; M47-F94 HydrophobicContact CG-CE1 4.31Å; M47-F94 HydrophobicContact CG-CZ 4.42Å
48F97Very high88.7Confident0 Ų066.8 Ų66.80%039%0.385CS..EExtended strand (participates in β ladder)trans-116134.1169.4-66.1-88.6000110.2F27 L30 H31 I34 Y46 V62 W63 L88 V89 Y90 I102F27-F48 HydrophobicContact CB-CD2 3.77Å; F27-F48 HydrophobicContact CB-CE2 3.75Å; F27-F48 HydrophobicContact CB-CZ 4.46Å; F27-F48 HydrophobicContact CD1-CB 4.18Å; F27-F48 AromaticContact CD1-CD1 3.87Å; F27-F48 HydrophobicContact CD1-CD1 3.87Å; F27-F48 AromaticContact CD1-CD2 3.77Å; F27-F48 HydrophobicContact CD1-CD2 3.77Å; F27-F48 HydrophobicContact CD1-CE1 4.09Å; F27-F48 HydrophobicContact CD1-CE2 4.03Å; F27-F48 AromaticContact CD1-CG 3.66Å; F27-F48 HydrophobicContact CD1-CG 3.66Å; F27-F48 HydrophobicContact CD1-CZ 4.16Å; F27-F48 HydrophobicContact CE1-CB 4.43Å; F27-F48 HydrophobicContact CE1-CD1 4.29Å; F27-F48 HydrophobicContact CE1-CG 4.25Å; F27-F48 AromaticContact CG-CD2 3.99Å; F27-F48 HydrophobicContact CG-CD2 3.99Å; F27-F48 HydrophobicContact CG-CE2 4.3Å; F27-F48 HydrophobicContact CG-CG 4.27Å; F27-F48 VanDerWaalsContact O-CE2 3.22Å; F27-F48 WeakPolarHBondContact O-CE2 3.45Å; F27-F48 WeakPolarHBondContact O-CZ 3.17Å; L30-F48 HydrophobicContact CB-CZ 4.27Å; L30-F48 HydrophobicContact CD2-CE1 3.79Å; L30-F48 HydrophobicContact CD2-CZ 4.17Å; L30-F48 HydrophobicContact CG-CE1 4.13Å; L30-F48 HydrophobicContact CG-CZ 4.13Å; H31-F48 HydrophobicContact CB-CE2 4.12Å; H31-F48 HydrophobicContact CB-CZ 4.11Å; I34-F48 HydrophobicContact CD1-CE1 3.92Å; I34-F48 HydrophobicContact CD1-CZ 4.13Å; Y46-F48 HydrophobicContact CD2-CD2 4.16Å; Y46-F48 AromaticContact CD2-CE2 3.79Å; Y46-F48 HydrophobicContact CD2-CE2 3.79Å; Y46-F48 HydrophobicContact CE2-CD2 4.27Å; Y46-F48 AromaticContact CE2-CE2 3.81Å; Y46-F48 HydrophobicContact CE2-CE2 3.81Å; F48-V62 CarbonylContact O-C 3.51Å; F48-V62 VanDerWaalsContact O-CA 3.25Å; F48-V62 WeakPolarHBondContact O-CA 3.45Å; F48-W63 HydrophobicContact CB-CB 4.42Å; F48-W63 HydrophobicContact CB-CE3 4.27Å; F48-W63 PolarHBondContact N-O 3.13Å; F48-W63 PolarHBondContact O-N 2.78Å; F48-L88 HydrophobicContact CB-CD1 4.35Å; F48-L88 HydrophobicContact CB-CD2 4.04Å; F48-L88 HydrophobicContact CB-CG 4.31Å; F48-L88 HydrophobicContact CD1-CD2 3.42Å; F48-L88 VanDerWaalsContact CD1-CD2 3.42Å; F48-L88 HydrophobicContact CD1-CG 4.21Å; F48-L88 HydrophobicContact CE1-CD2 4.23Å; F48-L88 HydrophobicContact CG-CD2 4.1Å; F48-V89 CarbonylContact C-O 3.55Å; F48-V89 VanDerWaalsContact CA-O 3.23Å; F48-V89 WeakPolarHBondContact CA-O 3.41Å; F48-Y90 AromaticContact CD1-CD2 3.92Å; F48-Y90 HydrophobicContact CD1-CD2 3.92Å; F48-Y90 HydrophobicContact CD1-CG 4.39Å; F48-Y90 HydrophobicContact CD2-CD2 4.36Å; F48-Y90 AromaticContact CE1-CD2 3.43Å; F48-Y90 HydrophobicContact CE1-CD2 3.43Å; F48-Y90 VanDerWaalsContact CE1-CD2 3.43Å; F48-Y90 HydrophobicContact CE1-CE2 4.35Å; F48-Y90 AromaticContact CE1-CG 3.99Å; F48-Y90 HydrophobicContact CE1-CG 3.99Å; F48-Y90 AromaticContact CE2-CD2 3.89Å; F48-Y90 HydrophobicContact CE2-CD2 3.89Å; F48-Y90 HydrophobicContact CE2-CE2 4.23Å; F48-Y90 HydrophobicContact CG-CD2 4.39Å; F48-Y90 AromaticContact CZ-CD2 3.41Å; F48-Y90 HydrophobicContact CZ-CD2 3.41Å; F48-Y90 VanDerWaalsContact CZ-CD2 3.41Å; F48-Y90 AromaticContact CZ-CE2 3.91Å; F48-Y90 HydrophobicContact CZ-CE2 3.91Å; F48-Y90 HydrophobicContact CZ-CG 4.37Å; F48-I102 HydrophobicContact CD1-CD1 4.19Å; F48-I102 HydrophobicContact CE1-CD1 3.85Å
49E95.1Very high87.9Confident38 Ų3872.2 Ų72.218%0.17841%0.41CS..EExtended strand (participates in β ladder)trans-124.7127.1178.9-60.1-172.49000111.2M47 Y60 R61 V62 L88 V89M47-E49 HydrophobicContact CG-CG 4.31Å; M47-E49 HydrophobicContact SD-CG 3.99Å; E49-Y60 HydrophobicContact CB-CE2 4.42Å; E49-Y60 VanDerWaalsContact OE1-CE2 3.31Å; E49-Y60 WeakPolarHBondContact OE1-CE2 3.36Å; E49-Y60 PolarHBondContact OE1-OH 3.06Å; E49-R61 WeakPolarHBondContact CA-O 3.46Å; E49-V62 HydrophobicContact CG-CG1 4.32Å; E49-V62 HydrophobicContact CG-CG2 4.21Å; E49-L88 VanDerWaalsContact C-CD1 3.46Å; E49-L88 VanDerWaalsContact O-CD1 3.26Å; E49-L88 WeakPolarHBondContact O-CD1 3.19Å; E49-V89 HydrophobicContact CB-CB 4.43Å; E49-V89 PolarHBondContact N-O 2.7Å; E49-V89 PolarHBondContact O-N 3.01Å
50K94.2Very high87.5Confident34 Ų3475.2 Ų75.215%0.14842%0.419CS..EExtended strand (participates in β ladder)trans-103.4133.3168.2-179.569.8177.4-159.40109Y60 R61 W63 A80 D86 K87 L88K50-Y60 VanDerWaalsContact O-CA 3.32Å; K50-Y60 WeakPolarHBondContact O-CA 3.15Å; K50-Y60 WeakPolarHBondContact O-CD2 3.48Å; K50-R61 HydrophobicContact CB-CB 4.44Å; K50-R61 PolarHBondContact N-O 2.75Å; K50-R61 PolarHBondContact O-N 3.43Å; K50-R61 VanDerWaalsContact O-N 3.08Å; K50-W63 HydrophobicContact CB-CH2 3.93Å; K50-W63 HydrophobicContact CB-CZ3 3.7Å; K50-A80 VanDerWaalsContact CE-O 3.29Å; K50-A80 WeakPolarHBondContact CE-O 3.39Å; K50-A80 PolarHBondContact NZ-O 3.11Å; K50-D86 VanDerWaalsContact NZ-CG 3.32Å; K50-D86 IonicContact NZ-OD1 3.19Å; K50-D86 PolarHBondContact NZ-OD1 3.39Å; K50-D86 IonicContact NZ-OD2 3.43Å; K50-K87 WeakPolarHBondContact CD-O 3.25Å; K50-K87 PolarHBondContact NZ-O 2.87Å; K50-K87 VanDerWaalsContact NZ-O 3.09Å; K50-L88 HydrophobicContact CB-CD1 3.9Å
51G88.7Confident87.3Confident35 Ų3579.3 Ų79.336%0.36143%0.434SS..SBendtrans75.8-164.8-177.800000112
52R80.5Confident87.2Confident187 Ų18775.7 Ų75.771%0.70642%0.415SS*.  trans-129.9130.2178-168.7178.2-170.3-170.82.5109.7G54 D55R52-G54 PolarHBondContact O-N 2.89Å; R52-D55 HydrophobicContact CB-CB 4.2Å; R52-D55 PolarHBondContact O-N 3.08Å; R52-D55 VanDerWaalsContact O-N 3.16Å
53K78.1Confident87.1Confident163 Ų16372.4 Ų72.471%0.70940%0.397SS*.THydrogen-bonded Turntrans-57.5125.1178-164.8172.4-176.5173.40110.1Y60K53-Y60 HydrophobicContact CB-CD1 4.11Å; K53-Y60 HydrophobicContact CB-CD2 4.19Å; K53-Y60 HydrophobicContact CB-CE1 3.78Å; K53-Y60 HydrophobicContact CB-CE2 3.88Å; K53-Y60 HydrophobicContact CB-CG 4.29Å; K53-Y60 HydrophobicContact CD-CE1 3.86Å; K53-Y60 HydrophobicContact CG-CD1 4.03Å; K53-Y60 HydrophobicContact CG-CE1 3.71Å
54G75.9Confident86.9Confident75 Ų7566.7 Ų66.777%0.77337%0.37SS*.THydrogen-bonded Turntrans85.81.417700000115.7R52 P56R52-G54 PolarHBondContact O-N 2.89Å; G54-P56 WeakPolarHBondContact O-CD 3.13Å
55D78.2Confident86.3Confident92 Ų9269.4 Ų69.449%0.49238%0.383SS..  trans-79.6115.9175.8-152.98.6000110.3R52 G57 S58R52-D55 HydrophobicContact CB-CB 4.2Å; R52-D55 PolarHBondContact O-N 3.08Å; R52-D55 VanDerWaalsContact O-N 3.16Å; D55-G57 PolarHBondContact O-N 3.22Å; D55-S58 PolarHBondContact O-N 3.03Å; D55-S58 VanDerWaalsContact O-N 3.16Å
56P73.5Confident85.6Confident123 Ų12369.2 Ų69.280%0.79938%0.383SS*.THydrogen-bonded Turntrans-61125.7-173.6-22.633.6000112.2G54 S58G54-P56 WeakPolarHBondContact O-CD 3.13Å; P56-S58 VanDerWaalsContact C-N 3.28Å; P56-S58 PolarHBondContact O-N 2.87Å
57G69.6Low84.2Confident91 Ų9178.1 Ų78.194%0.93843%0.425SS*.THydrogen-bonded Turntrans81.9-4.3178.900000115.1D55D55-G57 PolarHBondContact O-N 3.22Å
58S76.2Confident83.3Confident49 Ų4982 Ų8234%0.34345%0.454SS..  trans-81.6131.5168.3-176.80000109.9D55 P56 Y60D55-S58 PolarHBondContact O-N 3.03Å; D55-S58 VanDerWaalsContact O-N 3.16Å; P56-S58 VanDerWaalsContact C-N 3.28Å; P56-S58 PolarHBondContact O-N 2.87Å; S58-Y60 PolarHBondContact O-N 3.01Å
59E79.8Confident82.4Confident115 Ų11584.8 Ų84.854%0.53747%0.468SS..  trans-68.1117.5164.4179.4161.8-133.100109.1R61E59-R61 HydrophobicContact CG-CG 3.94Å; E59-R61 IonicContact OE1-CZ 3.3Å; E59-R61 IonicContact OE1-NE 2.66Å; E59-R61 PolarHBondContact OE1-NE 3.46Å; E59-R61 IonicContact OE1-NH2 3.12Å; E59-R61 PolarHBondContact OE1-NH2 3.45Å; E59-R61 IonicContact OE2-CZ 3.41Å; E59-R61 VanDerWaalsContact OE2-CZ 3.3Å; E59-R61 IonicContact OE2-NE 3.86Å; E59-R61 PolarHBondContact OE2-NE 2.96Å; E59-R61 IonicContact OE2-NH2 2.63Å; E59-R61 PolarHBondContact OE2-NH2 2.97Å
60Y87.8Confident82.1Confident76 Ų7684.2 Ų84.230%0.29847%0.472SS..  trans-105.3119.9175.2177.7-113.4000109.5E49 K50 K53 S58 V62E49-Y60 HydrophobicContact CB-CE2 4.42Å; E49-Y60 VanDerWaalsContact OE1-CE2 3.31Å; E49-Y60 WeakPolarHBondContact OE1-CE2 3.36Å; E49-Y60 PolarHBondContact OE1-OH 3.06Å; K50-Y60 VanDerWaalsContact O-CA 3.32Å; K50-Y60 WeakPolarHBondContact O-CA 3.15Å; K50-Y60 WeakPolarHBondContact O-CD2 3.48Å; K53-Y60 HydrophobicContact CB-CD1 4.11Å; K53-Y60 HydrophobicContact CB-CD2 4.19Å; K53-Y60 HydrophobicContact CB-CE1 3.78Å; K53-Y60 HydrophobicContact CB-CE2 3.88Å; K53-Y60 HydrophobicContact CB-CG 4.29Å; K53-Y60 HydrophobicContact CD-CE1 3.86Å; K53-Y60 HydrophobicContact CG-CD1 4.03Å; K53-Y60 HydrophobicContact CG-CE1 3.71Å; S58-Y60 PolarHBondContact O-N 3.01Å; Y60-V62 HydrophobicContact CE1-CG2 3.74Å; Y60-V62 HydrophobicContact CE2-CG2 4.04Å; Y60-V62 VanDerWaalsContact CZ-CG2 3.42Å; Y60-V62 VanDerWaalsContact OH-CG2 3.32Å; Y60-V62 WeakPolarHBondContact OH-CG2 3.42Å
61R91.1Very high82Confident94 Ų9486.4 Ų86.436%0.35549%0.485SS..EExtended strand (participates in β ladder)trans-135.2144.6178.9-65.7-179.5-176.1171.72.4109.8E49 K50 E59 W63 A79E49-R61 WeakPolarHBondContact CA-O 3.46Å; K50-R61 HydrophobicContact CB-CB 4.44Å; K50-R61 PolarHBondContact N-O 2.75Å; K50-R61 PolarHBondContact O-N 3.43Å; K50-R61 VanDerWaalsContact O-N 3.08Å; E59-R61 HydrophobicContact CG-CG 3.94Å; E59-R61 IonicContact OE1-CZ 3.3Å; E59-R61 IonicContact OE1-NE 2.66Å; E59-R61 PolarHBondContact OE1-NE 3.46Å; E59-R61 IonicContact OE1-NH2 3.12Å; E59-R61 PolarHBondContact OE1-NH2 3.45Å; E59-R61 IonicContact OE2-CZ 3.41Å; E59-R61 VanDerWaalsContact OE2-CZ 3.3Å; E59-R61 IonicContact OE2-NE 3.86Å; E59-R61 PolarHBondContact OE2-NE 2.96Å; E59-R61 IonicContact OE2-NH2 2.63Å; E59-R61 PolarHBondContact OE2-NH2 2.97Å; R61-W63 HydrophobicContact CB-CE3 4.47Å; R61-W63 HydrophobicContact CB-CH2 3.35Å; R61-W63 HydrophobicContact CB-CZ2 3.67Å; R61-W63 HydrophobicContact CB-CZ3 3.79Å; R61-W63 HydrophobicContact CG-CH2 4.19Å; R61-W63 HydrophobicContact CG-CZ2 4.28Å; R61-A79 PolarHBondContact NH1-O 3.12Å; R61-A79 VanDerWaalsContact NH1-O 3.16Å
62V92.1Very high82.3Confident25 Ų2584.8 Ų84.815%0.15247%0.468CS..EExtended strand (participates in β ladder)trans-127.7138.5178.8-172.60000109.1M47 F48 E49 Y60 M69 G70M47-V62 HydrophobicContact CB-CG1 4.29Å; M47-V62 HydrophobicContact SD-CG1 4.1Å; F48-V62 CarbonylContact O-C 3.51Å; F48-V62 VanDerWaalsContact O-CA 3.25Å; F48-V62 WeakPolarHBondContact O-CA 3.45Å; E49-V62 HydrophobicContact CG-CG1 4.32Å; E49-V62 HydrophobicContact CG-CG2 4.21Å; Y60-V62 HydrophobicContact CE1-CG2 3.74Å; Y60-V62 HydrophobicContact CE2-CG2 4.04Å; Y60-V62 VanDerWaalsContact CZ-CG2 3.42Å; Y60-V62 VanDerWaalsContact OH-CG2 3.32Å; Y60-V62 WeakPolarHBondContact OH-CG2 3.42Å; V62-M69 HydrophobicContact CG1-CB 4.41Å; V62-M69 HydrophobicContact CG1-CE 4.28Å; V62-M69 HydrophobicContact CG1-CG 4.06Å; V62-M69 HydrophobicContact CG1-SD 3.5Å; V62-M69 WeakPolarHBondContact CG1-SD 3.3Å; V62-G70 WeakPolarHBondContact O-CA 3.23Å; V62-G70 PolarHBondContact O-N 3Å
63W93.6Very high82.9Confident16 Ų1678.6 Ų78.66%0.06146%0.457CS..EExtended strand (participates in β ladder)trans-129133.2171.6-56.9-93000110.4F27 M47 F48 K50 R61 G70 A72 A80 L88F27-W63 HydrophobicContact CD2-CB 4.02Å; F27-W63 HydrophobicContact CD2-CD2 4.15Å; F27-W63 AromaticContact CD2-CG 3.86Å; F27-W63 HydrophobicContact CD2-CG 3.86Å; F27-W63 AromaticContact CE2-CD2 3.74Å; F27-W63 HydrophobicContact CE2-CD2 3.74Å; F27-W63 AromaticContact CE2-CE2 3.98Å; F27-W63 HydrophobicContact CE2-CE3 4.05Å; F27-W63 AromaticContact CE2-CG 3.94Å; F27-W63 HydrophobicContact CE2-CG 3.94Å; F27-W63 HydrophobicContact CE2-CZ2 4.46Å; F27-W63 HydrophobicContact CG-CB 4.45Å; F27-W63 HydrophobicContact CZ-CD2 4.35Å; F27-W63 HydrophobicContact CZ-CE3 4.2Å; F27-W63 HydrophobicContact CZ-CZ3 4.42Å; M47-W63 CarbonylContact C-O 3.48Å; M47-W63 WeakPolarHBondContact CA-O 3.31Å; F48-W63 HydrophobicContact CB-CB 4.42Å; F48-W63 HydrophobicContact CB-CE3 4.27Å; F48-W63 PolarHBondContact N-O 3.13Å; F48-W63 PolarHBondContact O-N 2.78Å; K50-W63 HydrophobicContact CB-CH2 3.93Å; K50-W63 HydrophobicContact CB-CZ3 3.7Å; R61-W63 HydrophobicContact CB-CE3 4.47Å; R61-W63 HydrophobicContact CB-CH2 3.35Å; R61-W63 HydrophobicContact CB-CZ2 3.67Å; R61-W63 HydrophobicContact CB-CZ3 3.79Å; R61-W63 HydrophobicContact CG-CH2 4.19Å; R61-W63 HydrophobicContact CG-CZ2 4.28Å; W63-G70 CarbonylContact C-O 3.47Å; W63-G70 WeakPolarHBondContact CA-O 3.35Å; W63-A72 HydrophobicContact CB-CB 4.33Å; W63-A80 HydrophobicContact CH2-CB 3.57Å; W63-A80 HydrophobicContact CZ2-CB 4.35Å; W63-A80 HydrophobicContact CZ3-CB 3.86Å; W63-L88 HydrophobicContact CE3-CD1 4.43Å; W63-L88 HydrophobicContact CZ3-CD1 3.92Å
64G91.1Very high83.7Confident2 Ų276.7 Ų76.72%0.02145%0.454CS..EExtended strand (participates in β ladder)trans-160.9-164.6-179.700000111G70 A72G64-G70 PolarHBondContact N-O 2.74Å; G64-G70 VanDerWaalsContact N-O 3.07Å; G64-A72 WeakPolarHBondContact O-CB 3.48Å; G64-A72 PolarHBondContact O-N 2.93Å
65E82.5Confident84.6Confident116 Ų11674.3 Ų74.354%0.54242%0.424SS..SBendtrans-84.8-19.5176.4-58.4-17213600112.9L45 Y46L45-E65 WeakPolarHBondContact CD2-OE2 3.39Å; Y46-E65 HydrophobicContact CD1-CG 4.29Å; Y46-E65 VanDerWaalsContact CE1-CD 3.48Å; Y46-E65 HydrophobicContact CE1-CG 3.59Å; Y46-E65 VanDerWaalsContact CE1-OE1 3.27Å; Y46-E65 WeakPolarHBondContact CE1-OE1 3.49Å
66D79.2Confident85.4Confident90 Ų9071.3 Ų71.348%0.48141%0.41SS..SBendtrans-72.5131.4179.3-170.3-56.1000111.1S68 M69D66-S68 PolarHBondContact O-N 2.78Å; D66-S68 VanDerWaalsContact O-N 3.12Å; D66-S68 WeakPolarHBondContact OD1-CA 3.42Å; D66-S68 WeakPolarHBondContact OD1-CB 3.44Å; D66-S68 PolarHBondContact OD1-N 2.82Å; D66-S68 PolarHBondContact OD1-OG 3.23Å; D66-M69 HydrophobicContact CB-CE 4.47Å; D66-M69 HydrophobicContact CB-CG 4.22Å; D66-M69 HydrophobicContact CB-SD 4.3Å; D66-M69 WeakPolarHBondContact O-CB 3.39Å; D66-M69 PolarHBondContact O-N 3.31Å
67E68.1Low86.5Confident199 Ų19965.5 Ų65.593%0.9337%0.372SS*.THydrogen-bonded Turntrans-60.8-20.7-179.8-64.4-172.3168.800113.9M69E67-M69 VanDerWaalsContact C-N 3.25Å; E67-M69 PolarHBondContact O-N 3.22Å
68S76.6Confident87.7Confident102 Ų10267 Ų6771%0.71335%0.349SS*.THydrogen-bonded Turntrans-77.6-10175.269.90000113.5D66D66-S68 PolarHBondContact O-N 2.78Å; D66-S68 VanDerWaalsContact O-N 3.12Å; D66-S68 WeakPolarHBondContact OD1-CA 3.42Å; D66-S68 WeakPolarHBondContact OD1-CB 3.44Å; D66-S68 PolarHBondContact OD1-N 2.82Å; D66-S68 PolarHBondContact OD1-OG 3.23Å
69M79.6Confident88.5Confident58 Ų5865.6 Ų65.629%0.28634%0.341SS..SBendtrans-102.8171.6177.5-58.5-176.3-177.600111.3M47 V62 D66 E67M47-M69 HydrophobicContact CB-SD 4.41Å; M47-M69 HydrophobicContact CE-CE 4.17Å; V62-M69 HydrophobicContact CG1-CB 4.41Å; V62-M69 HydrophobicContact CG1-CE 4.28Å; V62-M69 HydrophobicContact CG1-CG 4.06Å; V62-M69 HydrophobicContact CG1-SD 3.5Å; V62-M69 WeakPolarHBondContact CG1-SD 3.3Å; D66-M69 HydrophobicContact CB-CE 4.47Å; D66-M69 HydrophobicContact CB-CG 4.22Å; D66-M69 HydrophobicContact CB-SD 4.3Å; D66-M69 WeakPolarHBondContact O-CB 3.39Å; D66-M69 PolarHBondContact O-N 3.31Å; E67-M69 VanDerWaalsContact C-N 3.25Å; E67-M69 PolarHBondContact O-N 3.22Å
70G87.6Confident89.2Confident26 Ų2660.4 Ų60.427%0.26832%0.318SS..EExtended strand (participates in β ladder)trans-60140.2166.700000110.8V62 W63 G64 A72V62-G70 WeakPolarHBondContact O-CA 3.23Å; V62-G70 PolarHBondContact O-N 3Å; W63-G70 CarbonylContact C-O 3.47Å; W63-G70 WeakPolarHBondContact CA-O 3.35Å; G64-G70 PolarHBondContact N-O 2.74Å; G64-G70 VanDerWaalsContact N-O 3.07Å; G70-A72 PolarHBondContact O-N 2.83Å; G70-A72 VanDerWaalsContact O-N 3.12Å
71N92.2Very high89.6Confident80 Ų8056.8 Ų56.843%0.42830%0.304SS..EExtended strand (participates in β ladder)trans-73.8107.5-175.9-176.9-23.4000111.1A73 I74 T75N71-A73 VanDerWaalsContact C-N 3.26Å; N71-A73 PolarHBondContact O-N 3.39Å; N71-A73 WeakPolarHBondContact OD1-CA 3.29Å; N71-A73 VanDerWaalsContact OD1-CB 3.25Å; N71-A73 WeakPolarHBondContact OD1-CB 3.31Å; N71-A73 PolarHBondContact OD1-N 2.88Å; N71-I74 HydrophobicContact CB-CD1 4.21Å; N71-I74 HydrophobicContact CB-CG1 3.91Å; N71-T75 VanDerWaalsContact O-CB 3.29Å; N71-T75 WeakPolarHBondContact O-CB 3.32Å; N71-T75 PolarHBondContact O-N 2.95Å; N71-T75 VanDerWaalsContact O-N 3.11Å; N71-T75 PolarHBondContact O-OG1 2.95Å
72A94.6Very high89.7Confident1 Ų158.1 Ų58.11%0.00831%0.314CS..THydrogen-bonded Turntrans-65.6-26.5179.900000113.5F27 S28 Y46 W63 G64 G70 I74F27-A72 HydrophobicContact CB-CB 3.78Å; F27-A72 WeakPolarHBondContact CB-O 3.43Å; F27-A72 PolarHBondContact N-O 3.5Å; S28-A72 PolarHBondContact N-O 2.8Å; Y46-A72 HydrophobicContact CE2-CB 4.17Å; W63-A72 HydrophobicContact CB-CB 4.33Å; G64-A72 WeakPolarHBondContact O-CB 3.48Å; G64-A72 PolarHBondContact O-N 2.93Å; G70-A72 PolarHBondContact O-N 2.83Å; G70-A72 VanDerWaalsContact O-N 3.12Å; A72-I74 VanDerWaalsContact C-N 3.3Å; A72-I74 PolarHBondContact O-N 2.72Å
73A94.3Very high89.8Confident57 Ų5761.7 Ų61.747%0.47133%0.332SS..THydrogen-bonded Turntrans-71-23.6-176.700000113.9P26 S28 N71P26-A73 WeakPolarHBondContact CB-O 3.36Å; S28-A73 WeakPolarHBondContact OG-CA 3.37Å; N71-A73 VanDerWaalsContact C-N 3.26Å; N71-A73 PolarHBondContact O-N 3.39Å; N71-A73 WeakPolarHBondContact OD1-CA 3.29Å; N71-A73 VanDerWaalsContact OD1-CB 3.25Å; N71-A73 WeakPolarHBondContact OD1-CB 3.31Å; N71-A73 PolarHBondContact OD1-N 2.88Å
74I93.2Very high90Very high123 Ų12365.5 Ų65.563%0.63135%0.353SS*.THydrogen-bonded Turntrans-121.9-16.9-176.268175.3000113.6N71 A72 P76N71-I74 HydrophobicContact CB-CD1 4.21Å; N71-I74 HydrophobicContact CB-CG1 3.91Å; A72-I74 VanDerWaalsContact C-N 3.3Å; A72-I74 PolarHBondContact O-N 2.72Å; I74-P76 WeakPolarHBondContact O-CD 3.25Å
75T95.2Very high90.2Very high26 Ų2667.6 Ų67.616%0.1638%0.375CS..  trans-80.7119.5-176-54.80000109.6P26 F27 N71 A79P26-T75 WeakPolarHBondContact CA-O 3.37Å; F27-T75 HydrophobicContact CD2-CG2 4.09Å; F27-T75 WeakPolarHBondContact CD2-O 3.44Å; F27-T75 HydrophobicContact CE2-CG2 3.85Å; F27-T75 PolarHBondContact N-O 3.45Å; F27-T75 VanDerWaalsContact N-O 3.12Å; N71-T75 VanDerWaalsContact O-CB 3.29Å; N71-T75 WeakPolarHBondContact O-CB 3.32Å; N71-T75 PolarHBondContact O-N 2.95Å; N71-T75 VanDerWaalsContact O-N 3.11Å; N71-T75 PolarHBondContact O-OG1 2.95Å; T75-A79 HydrophobicContact CG2-CB 3.82Å
76P95.9Very high90.8Very high29 Ų2963.9 Ų63.919%0.18836%0.359CS..BIsolated β-bridgetrans-75.9149.4-179.532.2-36.1000111.7I25 I74 W78 A79I25-P76 WeakPolarHBondContact O-CA 3.5Å; I74-P76 WeakPolarHBondContact O-CD 3.25Å; P76-W78 VanDerWaalsContact C-N 3.28Å; P76-W78 HydrophobicContact CB-CG 4.36Å; P76-W78 VanDerWaalsContact CB-NE1 3.33Å; P76-W78 HydrophobicContact CG-CD2 4.13Å; P76-W78 HydrophobicContact CG-CG 4.37Å; P76-W78 HydrophobicContact CG-CZ2 3.62Å; P76-W78 PolarHBondContact O-N 3.3Å; P76-A79 HydrophobicContact CG-CB 4.47Å; P76-A79 WeakPolarHBondContact O-CB 3.17Å; P76-A79 PolarHBondContact O-N 2.96Å
77L96.1Very high91.6Very high0 Ų065.8 Ų65.80%036%0.363CS..G310 helixtrans-55.7-38.1-176.818060.1000114Y2 L4 V21 E23 I25 F27 L30 A79 A80 L81Y2-L77 HydrophobicContact CD2-CD2 3.87Å; Y2-L77 HydrophobicContact CD2-CG 4.24Å; Y2-L77 HydrophobicContact CE2-CG 4.5Å; L4-L77 HydrophobicContact CD1-CD2 3.81Å; L4-L77 HydrophobicContact CD2-CD2 4.39Å; V21-L77 HydrophobicContact CG2-CD2 3.94Å; E23-L77 PolarHBondContact O-N 3.42Å; I25-L77 HydrophobicContact CG2-CB 3.78Å; I25-L77 HydrophobicContact CG2-CD2 3.95Å; I25-L77 PolarHBondContact O-N 2.82Å; F27-L77 HydrophobicContact CD1-CD1 4.37Å; F27-L77 HydrophobicContact CE1-CD1 3.57Å; F27-L77 HydrophobicContact CZ-CD1 4.12Å; L30-L77 HydrophobicContact CD2-CD1 3.68Å; L30-L77 HydrophobicContact CD2-CD2 4.29Å; L77-A79 PolarHBondContact O-N 3.21Å; L77-A80 PolarHBondContact O-N 2.93Å; L77-L81 HydrophobicContact CD1-CD1 3.6Å; L77-L81 HydrophobicContact CD1-CG 4.02Å; L77-L81 HydrophobicContact CD2-CD1 4.34Å; L77-L81 HydrophobicContact CG-CD1 4.05Å; L77-L81 PolarHBondContact O-N 2.79Å; L77-L81 VanDerWaalsContact O-N 3.13Å
78W95Very high92.9Very high123 Ų12356.4 Ų56.447%0.46632%0.319SS..G310 helixtrans-58.6-19.9177.766.8-106000113.3E23 P76 A80 L81E23-W78 HydrophobicContact CB-CB 4.33Å; E23-W78 VanDerWaalsContact O-CD1 3.28Å; E23-W78 PolarHBondContact O-N 2.86Å; P76-W78 VanDerWaalsContact C-N 3.28Å; P76-W78 HydrophobicContact CB-CG 4.36Å; P76-W78 VanDerWaalsContact CB-NE1 3.33Å; P76-W78 HydrophobicContact CG-CD2 4.13Å; P76-W78 HydrophobicContact CG-CG 4.37Å; P76-W78 HydrophobicContact CG-CZ2 3.62Å; P76-W78 PolarHBondContact O-N 3.3Å; W78-A80 PolarHBondContact O-N 3.06Å; W78-L81 WeakPolarHBondContact CA-O 3.42Å
79A93.8Very high93.9Very high19 Ų1952.6 Ų52.616%0.15729%0.292CS..G310 helixtrans-67.4-17.817600000113.3R61 T75 P76 L77R61-A79 PolarHBondContact NH1-O 3.12Å; R61-A79 VanDerWaalsContact NH1-O 3.16Å; T75-A79 HydrophobicContact CG2-CB 3.82Å; P76-A79 HydrophobicContact CG-CB 4.47Å; P76-A79 WeakPolarHBondContact O-CB 3.17Å; P76-A79 PolarHBondContact O-N 2.96Å; L77-A79 PolarHBondContact O-N 3.21Å
80A94.2Very high94.8Very high7 Ų749.9 Ų49.96%0.05828%0.278CS..THydrogen-bonded Turntrans-117.5-27.6177.200000114.3F27 K50 W63 L77 W78 L88F27-A80 HydrophobicContact CZ-CB 3.69Å; K50-A80 VanDerWaalsContact CE-O 3.29Å; K50-A80 WeakPolarHBondContact CE-O 3.39Å; K50-A80 PolarHBondContact NZ-O 3.11Å; W63-A80 HydrophobicContact CH2-CB 3.57Å; W63-A80 HydrophobicContact CZ2-CB 4.35Å; W63-A80 HydrophobicContact CZ3-CB 3.86Å; L77-A80 PolarHBondContact O-N 2.93Å; W78-A80 PolarHBondContact O-N 3.06Å; A80-L88 HydrophobicContact CB-CD1 4.11Å
81L94.9Very high95.2Very high0 Ų048.6 Ų48.60%027%0.265CS..  trans-117.4106.7179.9-54.9-179.8000108.7Y2 L4 L77 W78 D86 L88 I102 L104Y2-L81 HydrophobicContact CE2-CB 4.13Å; Y2-L81 WeakPolarHBondContact CE2-O 3.35Å; Y2-L81 PolarHBondContact OH-O 3.25Å; Y2-L81 VanDerWaalsContact OH-O 3.13Å; L4-L81 HydrophobicContact CD2-CD1 3.89Å; L77-L81 HydrophobicContact CD1-CD1 3.6Å; L77-L81 HydrophobicContact CD1-CG 4.02Å; L77-L81 HydrophobicContact CD2-CD1 4.34Å; L77-L81 HydrophobicContact CG-CD1 4.05Å; L77-L81 PolarHBondContact O-N 2.79Å; L77-L81 VanDerWaalsContact O-N 3.13Å; W78-L81 WeakPolarHBondContact CA-O 3.42Å; L81-D86 HydrophobicContact CB-CB 4.27Å; L81-D86 HydrophobicContact CD2-CB 3.67Å; L81-L88 HydrophobicContact CD2-CB 4.08Å; L81-I102 HydrophobicContact CD1-CG2 4.46Å; L81-L104 HydrophobicContact CB-CB 4.35Å; L81-L104 HydrophobicContact CB-CD2 3.9Å; L81-L104 HydrophobicContact CD1-CB 4.25Å
82Q93.8Very high95.4Very high122 Ų12244.8 Ų44.857%0.5725%0.245SC*.  trans-111.8-27.5-175.6-66.3-177.5-28.400112.5D86 Q107Q82-D86 PolarHBondContact N-OD2 3.37Å; Q82-Q107 PolarHBondContact O-NE2 3.48Å
83N94.9Very high95.5Very high100 Ų10045.3 Ų45.354%0.53525%0.248SC..SBendtrans-129.9149.3-173.7-57.7-77.3000111.2G85 D86 Q107N83-G85 PolarHBondContact O-N 2.74Å; N83-D86 PolarHBondContact N-OD2 2.74Å; N83-D86 WeakPolarHBondContact O-CB 3.32Å; N83-D86 PolarHBondContact O-N 2.8Å; N83-Q107 VanDerWaalsContact CA-NE2 3.32Å
84D96.3Very high95.5Very high95 Ų9546.2 Ų46.251%0.50824%0.241SC..THydrogen-bonded Turntrans-53.8132.6168.7-71.5-6.7000110.1K106 Q107D84-K106 WeakPolarHBondContact OD1-CA 3.42Å; D84-Q107 WeakPolarHBondContact OD1-CG 3.18Å; D84-Q107 PolarHBondContact OD1-N 3.02Å
85G96.2Very high95.5Very high46 Ų4643.5 Ų43.547%0.47424%0.244SC..THydrogen-bonded Turntrans91.9-9.3-174.100000114.7N83 L104N83-G85 PolarHBondContact O-N 2.74Å; G85-L104 PolarHBondContact N-O 3.11Å
86D95.5Very high95.6Very high38 Ų3844 Ų4420%0.20325%0.245CC..  trans-58.5141.8172.9-92.7-40.9000111.5K50 L81 Q82 N83 V103 L104K50-D86 VanDerWaalsContact NZ-CG 3.32Å; K50-D86 IonicContact NZ-OD1 3.19Å; K50-D86 PolarHBondContact NZ-OD1 3.39Å; K50-D86 IonicContact NZ-OD2 3.43Å; L81-D86 HydrophobicContact CB-CB 4.27Å; L81-D86 HydrophobicContact CD2-CB 3.67Å; Q82-D86 PolarHBondContact N-OD2 3.37Å; N83-D86 PolarHBondContact N-OD2 2.74Å; N83-D86 WeakPolarHBondContact O-CB 3.32Å; N83-D86 PolarHBondContact O-N 2.8Å; D86-V103 WeakPolarHBondContact O-CA 3.45Å; D86-L104 PolarHBondContact O-N 3.07Å
87K95.9Very high95.5Very high131 Ų13148.7 Ų48.757%0.5726%0.259SS*.EExtended strand (participates in β ladder)trans-119152.3-178.5-54.5-174.3-176.7170.30112K50 I102 V103K50-K87 WeakPolarHBondContact CD-O 3.25Å; K50-K87 PolarHBondContact NZ-O 2.87Å; K50-K87 VanDerWaalsContact NZ-O 3.09Å; K87-I102 CarbonylContact C-O 3.5Å; K87-I102 VanDerWaalsContact CA-O 3.27Å; K87-I102 WeakPolarHBondContact CA-O 3.45Å; K87-V103 HydrophobicContact CG-CG2 4.23Å
88L95.9Very high95.5Very high2 Ų248.9 Ų48.91%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-143.3149.9170.8-172.278.7000107.8F27 F48 E49 K50 W63 A80 L81 I102F27-L88 HydrophobicContact CD1-CD2 4.2Å; F27-L88 HydrophobicContact CE1-CD2 3.44Å; F27-L88 VanDerWaalsContact CE1-CD2 3.44Å; F27-L88 HydrophobicContact CZ-CD2 4.24Å; F48-L88 HydrophobicContact CB-CD1 4.35Å; F48-L88 HydrophobicContact CB-CD2 4.04Å; F48-L88 HydrophobicContact CB-CG 4.31Å; F48-L88 HydrophobicContact CD1-CD2 3.42Å; F48-L88 VanDerWaalsContact CD1-CD2 3.42Å; F48-L88 HydrophobicContact CD1-CG 4.21Å; F48-L88 HydrophobicContact CE1-CD2 4.23Å; F48-L88 HydrophobicContact CG-CD2 4.1Å; E49-L88 VanDerWaalsContact C-CD1 3.46Å; E49-L88 VanDerWaalsContact O-CD1 3.26Å; E49-L88 WeakPolarHBondContact O-CD1 3.19Å; K50-L88 HydrophobicContact CB-CD1 3.9Å; W63-L88 HydrophobicContact CE3-CD1 4.43Å; W63-L88 HydrophobicContact CZ3-CD1 3.92Å; A80-L88 HydrophobicContact CB-CD1 4.11Å; L81-L88 HydrophobicContact CD2-CB 4.08Å; L88-I102 HydrophobicContact CB-CB 4.26Å; L88-I102 HydrophobicContact CD2-CD1 4.25Å; L88-I102 PolarHBondContact N-O 2.91Å; L88-I102 PolarHBondContact O-N 2.98Å
89V97Very high95.6Very high22 Ų2244 Ų4413%0.13324%0.243CC..EExtended strand (participates in β ladder)trans-106.3132.6170.4-177.40000107.7F48 E49 C100F48-V89 CarbonylContact C-O 3.55Å; F48-V89 VanDerWaalsContact CA-O 3.23Å; F48-V89 WeakPolarHBondContact CA-O 3.41Å; E49-V89 HydrophobicContact CB-CB 4.43Å; E49-V89 PolarHBondContact N-O 2.7Å; E49-V89 PolarHBondContact O-N 3.01Å; V89-C100 WeakPolarHBondContact CA-O 3.39Å
90Y97.7Very high95.8Very high0 Ų043.1 Ų43.10%024%0.236CC..EExtended strand (participates in β ladder)trans-108123.9167.2165.4-99.3000107.6H31 I34 Q35 W40 Y46 M47 F48 Y92 D99 C100H31-Y90 HydrophobicContact CB-CE2 4.13Å; H31-Y90 PolarHBondContact CE1-OH 2.85Å; H31-Y90 VanDerWaalsContact CE1-OH 3.25Å; H31-Y90 AromaticContact ND1-CE2 3.45Å; H31-Y90 WeakPolarHBondContact ND1-CE2 3.3Å; H31-Y90 AromaticContact ND1-CZ 3.46Å; H31-Y90 PolarHBondContact ND1-OH 2.56Å; I34-Y90 HydrophobicContact CB-CE1 4.31Å; I34-Y90 HydrophobicContact CD1-CD1 3.94Å; I34-Y90 HydrophobicContact CD1-CD2 3.87Å; I34-Y90 HydrophobicContact CD1-CE1 4.27Å; I34-Y90 HydrophobicContact CD1-CE2 4.21Å; I34-Y90 HydrophobicContact CD1-CG 3.69Å; I34-Y90 HydrophobicContact CG2-CD1 3.9Å; I34-Y90 HydrophobicContact CG2-CE1 3.56Å; Q35-Y90 PolarHBondContact NE2-OH 3.07Å; W40-Y90 HydrophobicContact CZ3-CE1 4.38Å; Y46-Y90 HydrophobicContact CD2-CE2 4.04Å; Y46-Y90 HydrophobicContact CG-CE2 4.09Å; M47-Y90 CarbonylContact O-C 3.5Å; M47-Y90 WeakPolarHBondContact O-CA 3.49Å; F48-Y90 AromaticContact CD1-CD2 3.92Å; F48-Y90 HydrophobicContact CD1-CD2 3.92Å; F48-Y90 HydrophobicContact CD1-CG 4.39Å; F48-Y90 HydrophobicContact CD2-CD2 4.36Å; F48-Y90 AromaticContact CE1-CD2 3.43Å; F48-Y90 HydrophobicContact CE1-CD2 3.43Å; F48-Y90 VanDerWaalsContact CE1-CD2 3.43Å; F48-Y90 HydrophobicContact CE1-CE2 4.35Å; F48-Y90 AromaticContact CE1-CG 3.99Å; F48-Y90 HydrophobicContact CE1-CG 3.99Å; F48-Y90 AromaticContact CE2-CD2 3.89Å; F48-Y90 HydrophobicContact CE2-CD2 3.89Å; F48-Y90 HydrophobicContact CE2-CE2 4.23Å; F48-Y90 HydrophobicContact CG-CD2 4.39Å; F48-Y90 AromaticContact CZ-CD2 3.41Å; F48-Y90 HydrophobicContact CZ-CD2 3.41Å; F48-Y90 VanDerWaalsContact CZ-CD2 3.41Å; F48-Y90 AromaticContact CZ-CE2 3.91Å; F48-Y90 HydrophobicContact CZ-CE2 3.91Å; F48-Y90 HydrophobicContact CZ-CG 4.37Å; Y90-Y92 HydrophobicContact CE1-CG 4.32Å; Y90-Y92 WeakPolarHBondContact OH-CD2 3.39Å; Y90-D99 CarbonylContact O-C 3.58Å; Y90-C100 HydrophobicContact CD1-CB 3.96Å; Y90-C100 PolarHBondContact N-O 3.25Å; Y90-C100 PolarHBondContact O-N 3.2Å
91T96.8Very high96Very high0 Ų044.6 Ų44.60%024%0.244CC..EExtended strand (participates in β ladder)trans-113.2127.2176.6-58.10000107.8Y46 M47 F94 W97 D99Y46-T91 CarbonylContact C-O 3.51Å; Y46-T91 WeakPolarHBondContact CA-O 3.14Å; M47-T91 PolarHBondContact N-O 2.91Å; M47-T91 PolarHBondContact O-N 2.85Å; T91-F94 HydrophobicContact CG2-CD1 4.34Å; T91-F94 HydrophobicContact CG2-CE1 4.41Å; T91-W97 HydrophobicContact CG2-CD2 3.87Å; T91-W97 HydrophobicContact CG2-CE3 4.46Å; T91-W97 HydrophobicContact CG2-CG 4.11Å; T91-W97 HydrophobicContact CG2-CZ2 3.98Å; T91-D99 WeakPolarHBondContact CB-OD1 3.44Å; T91-D99 WeakPolarHBondContact CG2-OD1 3.49Å; T91-D99 PolarHBondContact OG1-OD1 3.43Å
92Y96.9Very high96.1Very high0 Ų044.6 Ų44.60%024%0.244CC..EExtended strand (participates in β ladder)trans-124.7142.5179.6179.3-117.4000110.9Q35 W40 D42 E43 H44 Y90 W98 E128Q35-Y92 VanDerWaalsContact NE2-CE2 3.31Å; Q35-Y92 VanDerWaalsContact NE2-CZ 3.35Å; W40-Y92 HydrophobicContact CB-CE1 4.42Å; W40-Y92 HydrophobicContact CD2-CD1 4.23Å; W40-Y92 HydrophobicContact CD2-CE1 4.37Å; W40-Y92 AromaticContact CE3-CD1 3.76Å; W40-Y92 HydrophobicContact CE3-CD1 3.76Å; W40-Y92 HydrophobicContact CE3-CE1 4.22Å; W40-Y92 HydrophobicContact CZ3-CD1 4.02Å; D42-Y92 WeakPolarHBondContact CA-OH 3.28Å; D42-Y92 PolarHBondContact N-OH 3.41Å; E43-Y92 PolarHBondContact N-OH 2.84Å; H44-Y92 HydrophobicContact CB-CD2 4.48Å; H44-Y92 HydrophobicContact CB-CE2 3.81Å; H44-Y92 PolarHBondContact N-OH 3.01Å; H44-Y92 VanDerWaalsContact O-CE2 3.26Å; H44-Y92 WeakPolarHBondContact O-CE2 3.4Å; Y90-Y92 HydrophobicContact CE1-CG 4.32Å; Y90-Y92 WeakPolarHBondContact OH-CD2 3.39Å; Y92-W98 PolarHBondContact N-O 3.16Å; Y92-W98 VanDerWaalsContact N-O 3.12Å; Y92-W98 WeakPolarHBondContact O-CB 3.38Å; Y92-W98 PolarHBondContact O-N 3.1Å; Y92-E128 HydrophobicContact CE1-CG 3.81Å; Y92-E128 VanDerWaalsContact CE1-OE1 3.28Å; Y92-E128 WeakPolarHBondContact CE1-OE1 3.48Å; Y92-E128 PolarHBondContact OH-OE1 3.14Å
93D95.9Very high96.3Very high12 Ų1240.5 Ų40.56%0.06423%0.227CC..  trans58.3104.5-173.3-173.9-17.2000111.5H44 L45 G95 D96 W97H44-D93 HydrophobicContact CB-CB 3.81Å; H44-D93 IonicContact CD2-OD2 3.37Å; H44-D93 PolarHBondContact CD2-OD2 3.13Å; H44-D93 IonicContact CE1-OD2 3.65Å; H44-D93 IonicContact CG-OD2 3.81Å; H44-D93 IonicContact ND1-OD2 4Å; H44-D93 IonicContact NE2-OD2 3.25Å; H44-D93 PolarHBondContact NE2-OD2 3.01Å; L45-D93 PolarHBondContact O-N 3.27Å; D93-G95 PolarHBondContact O-N 2.82Å; D93-G95 WeakPolarHBondContact OD1-CA 3.47Å; D93-G95 PolarHBondContact OD1-N 3.1Å; D93-D96 HydrophobicContact CB-CB 4.25Å; D93-D96 PolarHBondContact O-N 3.47Å; D93-D96 PolarHBondContact OD1-N 3.29Å; D93-D96 VanDerWaalsContact OD1-N 3.11Å; D93-W97 WeakPolarHBondContact O-CA 3.36Å; D93-W97 PolarHBondContact O-N 3.03Å
94F94.1Very high96.5Very high75 Ų7535.7 Ų35.733%0.32920%0.201SC..THydrogen-bonded Turntrans-76.8-4-178.4-59.3-14.9000113.5L45 M47 T91 W97L45-F94 HydrophobicContact CB-CD2 3.96Å; L45-F94 HydrophobicContact CB-CE1 4.39Å; L45-F94 HydrophobicContact CB-CE2 3.65Å; L45-F94 HydrophobicContact CB-CG 4.46Å; L45-F94 HydrophobicContact CB-CZ 3.88Å; L45-F94 HydrophobicContact CD1-CD2 4.06Å; L45-F94 HydrophobicContact CD1-CE2 3.98Å; L45-F94 HydrophobicContact CG-CE2 4.48Å; M47-F94 HydrophobicContact CB-CZ 4.32Å; M47-F94 HydrophobicContact CE-CD1 4.4Å; M47-F94 HydrophobicContact CE-CE1 3.63Å; M47-F94 HydrophobicContact CE-CE2 4Å; M47-F94 HydrophobicContact CE-CZ 3.4Å; M47-F94 VanDerWaalsContact CE-CZ 3.4Å; M47-F94 HydrophobicContact CG-CE1 4.31Å; M47-F94 HydrophobicContact CG-CZ 4.42Å; T91-F94 HydrophobicContact CG2-CD1 4.34Å; T91-F94 HydrophobicContact CG2-CE1 4.41Å; F94-W97 HydrophobicContact CB-CE3 4.33Å; F94-W97 HydrophobicContact CB-CZ3 3.99Å; F94-W97 HydrophobicContact CD1-CZ3 4.26Å; F94-W97 HydrophobicContact CG-CZ3 4.26Å
95G94.3Very high96.6Very high67 Ų6734.1 Ų34.169%0.69119%0.191SC*.THydrogen-bonded Turntrans-84.7-52.9166.900000111.9D93D93-G95 PolarHBondContact O-N 2.82Å; D93-G95 WeakPolarHBondContact OD1-CA 3.47Å; D93-G95 PolarHBondContact OD1-N 3.1Å
96D95.7Very high96.6Very high36 Ų3637.2 Ų37.219%0.19319%0.191CC..THydrogen-bonded Turntrans-86.4-19.8-176.1-83.415.1000114D93 S130 G131 G132D93-D96 HydrophobicContact CB-CB 4.25Å; D93-D96 PolarHBondContact O-N 3.47Å; D93-D96 PolarHBondContact OD1-N 3.29Å; D93-D96 VanDerWaalsContact OD1-N 3.11Å; D96-S130 PolarHBondContact OD2-N 3.06Å; D96-S130 VanDerWaalsContact OD2-N 3.08Å; D96-G131 VanDerWaalsContact OD1-CA 3.27Å; D96-G131 WeakPolarHBondContact OD1-CA 3.16Å; D96-G131 PolarHBondContact OD1-N 2.74Å; D96-G131 WeakPolarHBondContact OD2-CA 3.37Å; D96-G131 PolarHBondContact OD2-N 2.77Å; D96-G132 VanDerWaalsContact O-CA 3.27Å; D96-G132 WeakPolarHBondContact O-CA 3.33Å; D96-G132 PolarHBondContact OD2-N 3.39Å
97W95.3Very high96.5Very high128 Ų12837.9 Ų37.949%0.48519%0.193SC..  trans55.756.2176.5-146.3-83.9000113.9T91 D93 F94 D99T91-W97 HydrophobicContact CG2-CD2 3.87Å; T91-W97 HydrophobicContact CG2-CE3 4.46Å; T91-W97 HydrophobicContact CG2-CG 4.11Å; T91-W97 HydrophobicContact CG2-CZ2 3.98Å; D93-W97 WeakPolarHBondContact O-CA 3.36Å; D93-W97 PolarHBondContact O-N 3.03Å; F94-W97 HydrophobicContact CB-CE3 4.33Å; F94-W97 HydrophobicContact CB-CZ3 3.99Å; F94-W97 HydrophobicContact CD1-CZ3 4.26Å; F94-W97 HydrophobicContact CG-CZ3 4.26Å; W97-D99 VanDerWaalsContact C-N 3.34Å; W97-D99 PolarHBondContact NE1-OD1 3.02Å; W97-D99 PolarHBondContact O-N 3.18Å
98W96.1Very high96.1Very high3 Ų333.9 Ų33.91%0.01118%0.18CC..EExtended strand (participates in β ladder)trans-71.986.2177.6-63.7110.4000111.8I8 W40 Y92 C100 P126 A127 E128 S130 G132 L133I8-W98 HydrophobicContact CG2-CE3 4.4Å; W40-W98 HydrophobicContact CH2-CB 3.74Å; W40-W98 HydrophobicContact CH2-CD2 4.41Å; W40-W98 HydrophobicContact CH2-CG 4.01Å; W40-W98 HydrophobicContact CZ2-CB 4.22Å; W40-W98 HydrophobicContact CZ2-CD2 4.03Å; W40-W98 HydrophobicContact CZ2-CE3 4.32Å; W40-W98 AromaticContact CZ2-CG 3.98Å; W40-W98 HydrophobicContact CZ2-CG 3.98Å; W40-W98 HydrophobicContact CZ3-CB 4.4Å; Y92-W98 PolarHBondContact N-O 3.16Å; Y92-W98 VanDerWaalsContact N-O 3.12Å; Y92-W98 WeakPolarHBondContact O-CB 3.38Å; Y92-W98 PolarHBondContact O-N 3.1Å; W98-C100 PolarHBondContact O-N 3.2Å; W98-P126 HydrophobicContact CH2-CB 3.34Å; W98-P126 HydrophobicContact CH2-CG 3.9Å; W98-P126 HydrophobicContact CZ2-CB 4.09Å; W98-P126 HydrophobicContact CZ3-CB 3.74Å; W98-P126 HydrophobicContact CZ3-CG 3.74Å; W98-A127 VanDerWaalsContact CZ2-O 3.3Å; W98-A127 WeakPolarHBondContact CZ2-O 3.21Å; W98-E128 PolarHBondContact NE1-O 3.46Å; W98-S130 WeakPolarHBondContact CZ2-OG 3.41Å; W98-G132 VanDerWaalsContact CH2-O 3.26Å; W98-G132 WeakPolarHBondContact CH2-O 3.47Å; W98-G132 VanDerWaalsContact CZ2-CA 3.41Å; W98-L133 VanDerWaalsContact CH2-N 3.32Å; W98-L133 HydrophobicContact CZ3-CB 3.97Å
99D96.1Very high95.2Very high22 Ų2242.3 Ų42.312%0.11822%0.219CC..EExtended strand (participates in β ladder)trans-76120.2173.8-895.2000111.3R9 Y90 T91 W97R9-D99 HydrophobicContact CB-CB 3.84Å; R9-D99 VanDerWaalsContact CB-O 3.31Å; R9-D99 WeakPolarHBondContact CB-O 3.45Å; R9-D99 IonicContact CZ-OD2 3.07Å; R9-D99 PolarHBondContact N-O 2.78Å; R9-D99 IonicContact NE-OD2 2.52Å; R9-D99 IonicContact NH1-OD2 2.66Å; R9-D99 PolarHBondContact NH1-OD2 3.3Å; R9-D99 IonicContact NH2-OD2 2.96Å; Y90-D99 CarbonylContact O-C 3.58Å; T91-D99 WeakPolarHBondContact CB-OD1 3.44Å; T91-D99 WeakPolarHBondContact CG2-OD1 3.49Å; T91-D99 PolarHBondContact OG1-OD1 3.43Å; W97-D99 VanDerWaalsContact C-N 3.34Å; W97-D99 PolarHBondContact NE1-OD1 3.02Å; W97-D99 PolarHBondContact O-N 3.18Å
100C97.8Very high93.8Very high0 Ų044.9 Ų44.90%023%0.232CC..EExtended strand (participates in β ladder)trans-110.3124.1168.5-64.60000110.4I6 T7 V89 Y90 W98I6-C100 HydrophobicContact CG2-CB 3.76Å; T7-C100 CarbonylContact O-C 3.55Å; T7-C100 VanDerWaalsContact O-CA 3.3Å; T7-C100 WeakPolarHBondContact O-CA 3.41Å; V89-C100 WeakPolarHBondContact CA-O 3.39Å; Y90-C100 HydrophobicContact CD1-CB 3.96Å; Y90-C100 PolarHBondContact N-O 3.25Å; Y90-C100 PolarHBondContact O-N 3.2Å; W98-C100 PolarHBondContact O-N 3.2Å
101V97.9Very high92Very high38 Ų3851.2 Ų51.223%0.2327%0.271CS..EExtended strand (participates in β ladder)trans-85.3120.4171-177.80000108.9I6 T7 R9 V103I6-V101 WeakPolarHBondContact CA-O 3.43Å; T7-V101 PolarHBondContact N-O 3.15Å; T7-V101 PolarHBondContact O-N 3.12Å; R9-V101 HydrophobicContact CB-CG2 4.4Å; V101-V103 HydrophobicContact CG1-CG2 4.15Å
102I98.5Very high90.2Very high0 Ų053.7 Ų53.70%029%0.288CS..EExtended strand (participates in β ladder)trans-102.4127.7176.9-53.9174.3000108.1L4 K5 I6 L30 I34 F48 L81 K87 L88L4-I102 HydrophobicContact CB-CG2 4.24Å; L4-I102 HydrophobicContact CD1-CG2 4.09Å; L4-I102 HydrophobicContact CD2-CG2 4.32Å; L4-I102 HydrophobicContact CG-CG2 4.46Å; K5-I102 WeakPolarHBondContact O-CA 3.2Å; I6-I102 HydrophobicContact CG1-CG1 4.2Å; I6-I102 HydrophobicContact CG1-CG2 4.42Å; I6-I102 HydrophobicContact CG2-CG1 4.17Å; L30-I102 HydrophobicContact CD2-CD1 4.32Å; I34-I102 HydrophobicContact CD1-CD1 3.83Å; F48-I102 HydrophobicContact CD1-CD1 4.19Å; F48-I102 HydrophobicContact CE1-CD1 3.85Å; L81-I102 HydrophobicContact CD1-CG2 4.46Å; K87-I102 CarbonylContact C-O 3.5Å; K87-I102 VanDerWaalsContact CA-O 3.27Å; K87-I102 WeakPolarHBondContact CA-O 3.45Å; L88-I102 HydrophobicContact CB-CB 4.26Å; L88-I102 HydrophobicContact CD2-CD1 4.25Å; L88-I102 PolarHBondContact N-O 2.91Å; L88-I102 PolarHBondContact O-N 2.98Å
103V98.3Very high89Confident35 Ų3561.7 Ų61.721%0.21233%0.331CS..EExtended strand (participates in β ladder)trans-123.8127.8176.1-174.40000109.2L4 K5 D86 K87 V101 E105L4-V103 WeakPolarHBondContact CA-O 3.22Å; K5-V103 PolarHBondContact N-O 2.96Å; K5-V103 PolarHBondContact O-N 3.47Å; D86-V103 WeakPolarHBondContact O-CA 3.45Å; K87-V103 HydrophobicContact CG-CG2 4.23Å; V101-V103 HydrophobicContact CG1-CG2 4.15Å; V103-E105 PolarHBondContact O-N 3.09Å
104L98.2Very high88.6Confident0 Ų064.5 Ų64.50%034%0.344CS..EExtended strand (participates in β ladder)trans-73103.8166.917952.3000108.5Y2 L4 L81 G85 D86 Q107Y2-L104 HydrophobicContact CD1-CD1 4.05Å; Y2-L104 HydrophobicContact CD2-CD1 3.76Å; Y2-L104 HydrophobicContact CD2-CD2 4.02Å; Y2-L104 HydrophobicContact CE1-CD2 4.46Å; Y2-L104 HydrophobicContact CE2-CD1 4.39Å; Y2-L104 HydrophobicContact CE2-CD2 3.82Å; Y2-L104 HydrophobicContact CG-CD1 3.57Å; Y2-L104 HydrophobicContact CG-CD2 4.43Å; L4-L104 HydrophobicContact CD2-CB 4.3Å; L4-L104 HydrophobicContact CD2-CD1 3.94Å; L81-L104 HydrophobicContact CB-CB 4.35Å; L81-L104 HydrophobicContact CB-CD2 3.9Å; L81-L104 HydrophobicContact CD1-CB 4.25Å; G85-L104 PolarHBondContact N-O 3.11Å; D86-L104 PolarHBondContact O-N 3.07Å; L104-Q107 HydrophobicContact CD1-CG 4.02Å; L104-Q107 HydrophobicContact CD2-CG 3.77Å; L104-Q107 HydrophobicContact CG-CG 4.15Å
105E98.1Very high88.5Confident61 Ų6164.5 Ų64.529%0.28535%0.351SS..EExtended strand (participates in β ladder)trans-85.9-32.8-178.2-73.2-172.8149.800112.6Q3 K5 R18 V103Q3-E105 PolarHBondContact NE2-OE2 3.15Å; Q3-E105 PolarHBondContact O-N 3.49Å; K5-E105 HydrophobicContact CB-CG 3.94Å; K5-E105 WeakPolarHBondContact CB-OE1 3.35Å; K5-E105 VanDerWaalsContact CD-OE1 3.29Å; K5-E105 WeakPolarHBondContact CD-OE1 3.48Å; R18-E105 IonicContact CZ-OE1 3.57Å; R18-E105 IonicContact CZ-OE2 2.63Å; R18-E105 VanDerWaalsContact CZ-OE2 3.3Å; R18-E105 IonicContact NE-OE1 3.68Å; R18-E105 IonicContact NE-OE2 3.11Å; R18-E105 PolarHBondContact NE-OE2 3.46Å; R18-E105 IonicContact NH2-OE1 2.74Å; R18-E105 PolarHBondContact NH2-OE1 2.87Å; R18-E105 IonicContact NH2-OE2 2.78Å; R18-E105 PolarHBondContact NH2-OE2 2.91Å; R18-E105 VanDerWaalsContact NH2-OE2 3.12Å; V103-E105 PolarHBondContact O-N 3.09Å
106K96.2Very high88.6Confident112 Ų11261.9 Ų61.949%0.48732%0.321SS..EExtended strand (participates in β ladder)trans-159.1137.2-177-171176.1-178.4-177.50111.4Q3 D84 T108Q3-K106 HydrophobicContact CB-CB 4.12Å; Q3-K106 PolarHBondContact N-O 3.4Å; Q3-K106 PolarHBondContact O-N 2.91Å; D84-K106 WeakPolarHBondContact OD1-CA 3.42Å; K106-T108 HydrophobicContact CD-CG2 4.41Å; K106-T108 HydrophobicContact CG-CG2 4.43Å
107Q94.1Very high88.7Confident51 Ų5161.3 Ų61.324%0.23832%0.32CS..EExtended strand (participates in β ladder)trans-100.7138.1166.3-58.9175.639.900110.8Y2 Q82 N83 D84 L104Y2-Q107 HydrophobicContact CD1-CB 4.3Å; Y2-Q107 HydrophobicContact CD1-CG 3.8Å; Y2-Q107 HydrophobicContact CE1-CB 4.21Å; Y2-Q107 HydrophobicContact CE1-CG 3.56Å; Q82-Q107 PolarHBondContact O-NE2 3.48Å; N83-Q107 VanDerWaalsContact CA-NE2 3.32Å; D84-Q107 WeakPolarHBondContact OD1-CG 3.18Å; D84-Q107 PolarHBondContact OD1-N 3.02Å; L104-Q107 HydrophobicContact CD1-CG 4.02Å; L104-Q107 HydrophobicContact CD2-CG 3.77Å; L104-Q107 HydrophobicContact CG-CG 4.15Å
108T87.4Confident88.8Confident47 Ų4755.4 Ų55.429%0.28830%0.298SS..  trans-123.9133.2168.965.50000109.9M1 K106 D110M1-T108 WeakPolarHBondContact CB-OG1 3.44Å; M1-T108 PolarHBondContact N-O 3.3Å; M1-T108 PolarHBondContact O-N 2.93Å; M1-T108 PolarHBondContact O-OG1 3.24Å; K106-T108 HydrophobicContact CD-CG2 4.41Å; K106-T108 HydrophobicContact CG-CG2 4.43Å; T108-D110 PolarHBondContact O-N 3.18Å
109H76.3Confident88.8Confident180 Ų18058.6 Ų58.683%0.83332%0.315SS*.  trans-80.513.7174.5-66.475.4000112.1T111H109-T111 PolarHBondContact O-N 2.91Å; H109-T111 VanDerWaalsContact O-N 3.12Å
110D67.1Low88.9Confident75 Ų7565.7 Ų65.740%0.40134%0.34SS..  trans-69.2111.7176.7-167.8-12.4000108.1T108 S112 Q114T108-D110 PolarHBondContact O-N 3.18Å; D110-S112 VanDerWaalsContact C-N 3.25Å; D110-S112 VanDerWaalsContact OD1-CB 3.22Å; D110-S112 WeakPolarHBondContact OD1-CB 3.47Å; D110-S112 PolarHBondContact OD1-N 3.17Å; D110-S112 PolarHBondContact OD1-OG 2.87Å; D110-S112 PolarHBondContact OD2-OG 3.46Å; D110-S112 VanDerWaalsContact OD2-OG 3.14Å; D110-Q114 PolarHBondContact OD2-NE2 3.12Å
111T60.1Low88.9Confident133 Ų13366.1 Ų66.182%0.81635%0.345SS*.  trans-85.84.5177.356.50000112.2H109 N113H109-T111 PolarHBondContact O-N 2.91Å; H109-T111 VanDerWaalsContact O-N 3.12Å; T111-N113 PolarHBondContact O-N 2.73Å
112S58.8Low88.9Confident52 Ų5270.3 Ų70.336%0.36436%0.36SS..SBendtrans-59.9132.2167.3600000108.7D110 Q114D110-S112 VanDerWaalsContact C-N 3.25Å; D110-S112 VanDerWaalsContact OD1-CB 3.22Å; D110-S112 WeakPolarHBondContact OD1-CB 3.47Å; D110-S112 PolarHBondContact OD1-N 3.17Å; D110-S112 PolarHBondContact OD1-OG 2.87Å; D110-S112 PolarHBondContact OD2-OG 3.46Å; D110-S112 VanDerWaalsContact OD2-OG 3.14Å; S112-Q114 PolarHBondContact O-N 3.41Å; S112-Q114 WeakPolarHBondContact OG-CG 3.19Å; S112-Q114 PolarHBondContact OG-NE2 2.9Å
113N73.1Confident88.8Confident168 Ų16871.1 Ų71.190%0.89837%0.369SS*.  trans-65.761.3174.7-80.6-3000110.2T111T111-N113 PolarHBondContact O-N 2.73Å
114Q86.2Confident88.5Confident72 Ų7271.2 Ų71.234%0.33637%0.369SS..PPolyproline II helixtrans-63.5131.4174-65.6-170.53.400107.8D110 S112D110-Q114 PolarHBondContact OD2-NE2 3.12Å; S112-Q114 PolarHBondContact O-N 3.41Å; S112-Q114 WeakPolarHBondContact OG-CG 3.19Å; S112-Q114 PolarHBondContact OG-NE2 2.9Å
115P93.3Very high88.4Confident75 Ų7571.2 Ų71.249%0.48737%0.369SS..PPolyproline II helixtrans-64.6148.8177.727.7-34.1000110.1S117 N180P115-S117 PolarHBondContact O-N 3.44Å; P115-S117 PolarHBondContact O-OG 2.95Å; P115-N180 WeakPolarHBondContact CA-OD1 3.44Å; P115-N180 HydrophobicContact CB-CB 4.46Å; P115-N180 WeakPolarHBondContact CB-OD1 3.37Å
116I95.9Very high88.2Confident11 Ų1168.3 Ų68.36%0.05636%0.356CS..PPolyproline II helixtrans-54.7124.5164.9-67.3169.3000108L20 V21 I25 V33 L176 I179 N180L20-I116 WeakPolarHBondContact O-CA 3.35Å; V21-I116 HydrophobicContact CG1-CG1 4.45Å; V21-I116 HydrophobicContact CG1-CG2 4.16Å; I25-I116 HydrophobicContact CD1-CD1 3.95Å; V33-I116 HydrophobicContact CG1-CG2 4.1Å; V33-I116 HydrophobicContact CG2-CD1 4.14Å; V33-I116 HydrophobicContact CG2-CG2 3.7Å; I116-L176 HydrophobicContact CG2-CD2 4.16Å; I116-I179 HydrophobicContact CD1-CG2 3.91Å; I116-N180 PolarHBondContact N-OD1 3.13Å; I116-N180 PolarHBondContact O-ND2 3.25Å
117S96.9Very high87.9Confident24 Ų2463.7 Ų63.717%0.16834%0.338CS..EExtended strand (participates in β ladder)trans-152.6155.1-173.253.60000112.2V19 L20 P115 N173V19-S117 CarbonylContact C-O 3.59Å; V19-S117 WeakPolarHBondContact CA-O 3.48Å; L20-S117 PolarHBondContact N-O 2.84Å; L20-S117 PolarHBondContact O-N 2.68Å; P115-S117 PolarHBondContact O-N 3.44Å; P115-S117 PolarHBondContact O-OG 2.95Å; S117-N173 WeakPolarHBondContact CA-OD1 3.47Å
118C98Very high87.5Confident4 Ų461.4 Ų61.43%0.02733%0.328CS..EExtended strand (participates in β ladder)trans-92.9123.6167.6-174.10000108.8R18 V19 R120 L169 I172 N173 L176R18-C118 CarbonylContact O-C 3.58Å; R18-C118 WeakPolarHBondContact O-CA 3.25Å; V19-C118 HydrophobicContact CG1-CB 4.39Å; C118-R120 PolarHBondContact SG-O 2.89Å; C118-L169 HydrophobicContact CB-CD1 4.03Å; C118-L169 VanDerWaalsContact O-CD1 3.23Å; C118-L169 WeakPolarHBondContact O-CD1 3.33Å; C118-I172 HydrophobicContact CB-CG2 3.49Å; C118-I172 VanDerWaalsContact CB-CG2 3.49Å; C118-N173 PolarHBondContact N-OD1 3.3Å; C118-N173 PolarHBondContact O-ND2 3.29Å; C118-N173 PolarHBondContact O-OD1 3.48Å; C118-L176 HydrophobicContact CB-CD1 3.94Å
119L97.2Very high87.7Confident71 Ų7164 Ų6437%0.37234%0.339SS..EExtended strand (participates in β ladder)trans-84.4-36177.2-65-177.8000112.2Q3 R18 L20Q3-L119 HydrophobicContact CG-CD1 4.22Å; R18-L119 HydrophobicContact CG-CB 4.3Å; R18-L119 HydrophobicContact CG-CD1 4.37Å; R18-L119 PolarHBondContact O-N 3.24Å; L20-L119 HydrophobicContact CD1-CD1 3.95Å; L20-L119 HydrophobicContact CD1-CD2 3.69Å; L20-L119 HydrophobicContact CD1-CG 4.01Å; L20-L119 HydrophobicContact CD2-CD1 4.22Å; L20-L119 HydrophobicContact CG-CD1 3.77Å; L20-L119 HydrophobicContact CG-CD2 4.2Å; L20-L119 HydrophobicContact CG-CG 3.95Å
120R98Very high88.4Confident170 Ų17055.9 Ų55.964%0.64230%0.303SS*.EExtended strand (participates in β ladder)trans-169.4163.3-177-125177.3-174.1-179.52110.8W16 R18 C118W16-R120 HydrophobicContact CH2-CB 4.02Å; W16-R120 HydrophobicContact CZ3-CB 4.23Å; W16-R120 WeakPolarHBondContact CZ3-O 3.46Å; R18-R120 PolarHBondContact N-O 2.63Å; C118-R120 PolarHBondContact SG-O 2.89Å
121G98.1Very high89.6Confident10 Ų1054.3 Ų54.310%0.10331%0.305CS..EExtended strand (participates in β ladder)trans-165.8-179.1173.600000111.4W16 Y167W16-G121 CarbonylContact O-C 3.59Å; W16-G121 WeakPolarHBondContact O-CA 3.46Å; G121-Y167 VanDerWaalsContact CA-CE2 3.42Å; G121-Y167 VanDerWaalsContact N-CZ 3.3Å; G121-Y167 PolarHBondContact N-OH 3.22Å; G121-Y167 WeakPolarHBondContact O-CE1 3.34Å
122K97.2Very high91.2Very high125 Ų12548.2 Ų48.254%0.54327%0.268SS..EExtended strand (participates in β ladder)trans-156.1154.6170.9-167.4173.6177.4178.30109.8I15 W16 R17I15-K122 WeakPolarHBondContact CA-O 3.21Å; W16-K122 HydrophobicContact CZ2-CB 4.24Å; W16-K122 PolarHBondContact N-O 3.27Å; W16-K122 PolarHBondContact O-N 2.86Å; R17-K122 PolarHBondContact NH1-O 2.87Å
123G95.4Very high92.8Very high18 Ų1847.2 Ų47.219%0.18626%0.259CS..SBendtrans88.9136.1172.800000112.4R17R17-G123 PolarHBondContact NH1-O 3.34Å; R17-G123 VanDerWaalsContact NH1-O 3.15Å; R17-G123 PolarHBondContact NH2-O 3.12Å
124T93.8Very high93.7Very high36 Ų3645.5 Ų45.522%0.22125%0.245CC..PPolyproline II helixtrans-62.8132169.2-54.70000108.8I15 I162 R165I15-T124 VanDerWaalsContact CD1-O 3.3Å; I15-T124 WeakPolarHBondContact CD1-O 3.19Å; T124-I162 HydrophobicContact CG2-CB 4.39Å; T124-I162 HydrophobicContact CG2-CG1 4.42Å; T124-I162 HydrophobicContact CG2-CG2 4.03Å; T124-R165 WeakPolarHBondContact CA-O 3.42Å; T124-R165 HydrophobicContact CG2-CB 4.01Å
125T95.3Very high94Very high1 Ų142.6 Ų42.61%0.00624%0.235CC..PPolyproline II helixtrans-71.7136.9175.5-52.70000109.5R17 F38 W40 R165R17-T125 PolarHBondContact NH2-OG1 3.14Å; R17-T125 VanDerWaalsContact NH2-OG1 3.09Å; F38-T125 HydrophobicContact CB-CG2 3.74Å; F38-T125 HydrophobicContact CD1-CG2 3.95Å; F38-T125 HydrophobicContact CG-CG2 4.33Å; F38-T125 WeakPolarHBondContact O-CB 3.49Å; F38-T125 WeakPolarHBondContact O-CG2 3.32Å; F38-T125 PolarHBondContact O-OG1 2.96Å; W40-T125 HydrophobicContact CZ2-CG2 4.31Å; T125-R165 PolarHBondContact N-O 2.81Å; T125-R165 VanDerWaalsContact N-O 3.14Å; T125-R165 WeakPolarHBondContact O-CB 3.45Å; T125-R165 WeakPolarHBondContact O-CD 3.44Å
126P93.5Very high93.9Very high0 Ų039.6 Ų39.60%021%0.213CC..PPolyproline II helixtrans-63.2156.3170.9-22.337.2000112.1I8 I15 W40 W98 Y136I8-P126 HydrophobicContact CD1-CG 4.11Å; I15-P126 HydrophobicContact CD1-CG 3.94Å; W40-P126 PolarHBondContact NE1-O 3.5Å; W98-P126 HydrophobicContact CH2-CB 3.34Å; W98-P126 HydrophobicContact CH2-CG 3.9Å; W98-P126 HydrophobicContact CZ2-CB 4.09Å; W98-P126 HydrophobicContact CZ3-CB 3.74Å; W98-P126 HydrophobicContact CZ3-CG 3.74Å; P126-Y136 HydrophobicContact CB-CD1 3.84Å; P126-Y136 HydrophobicContact CB-CD2 3.95Å; P126-Y136 HydrophobicContact CB-CE1 4.19Å; P126-Y136 HydrophobicContact CB-CE2 4.31Å; P126-Y136 HydrophobicContact CB-CG 3.71Å; P126-Y136 HydrophobicContact CG-CD1 4.05Å; P126-Y136 HydrophobicContact CG-CE1 4.31Å; P126-Y136 HydrophobicContact CG-CG 4.39Å
127A90.5Very high93.7Very high14 Ų1441.9 Ų41.912%0.11623%0.226CC..PPolyproline II helixtrans-62.9137.816800000110.3W98 N129 S130 R165W98-A127 VanDerWaalsContact CZ2-O 3.3Å; W98-A127 WeakPolarHBondContact CZ2-O 3.21Å; A127-N129 VanDerWaalsContact C-N 3.29Å; A127-N129 PolarHBondContact O-N 2.58Å; A127-S130 WeakPolarHBondContact O-CB 3.4Å; A127-S130 PolarHBondContact O-N 3.12Å; A127-S130 PolarHBondContact O-OG 2.65Å; A127-R165 VanDerWaalsContact CA-NH2 3.27Å
128E86Confident93.3Very high4 Ų445 Ų452%0.01924%0.238CC..THydrogen-bonded Turntrans-56.2-41.6-177.7-172.9165.6168.100113.5W40 N41 E43 H44 Y92 W98W40-E128 HydrophobicContact CG-CB 4.48Å; N41-E128 PolarHBondContact N-OE2 2.86Å; N41-E128 PolarHBondContact ND2-OE2 3.12Å; E43-E128 PolarHBondContact N-OE1 2.77Å; H44-E128 IonicContact CD2-OE1 3.32Å; H44-E128 PolarHBondContact CD2-OE1 2.83Å; H44-E128 IonicContact NE2-OE1 3.97Å; Y92-E128 HydrophobicContact CE1-CG 3.81Å; Y92-E128 VanDerWaalsContact CE1-OE1 3.28Å; Y92-E128 WeakPolarHBondContact CE1-OE1 3.48Å; Y92-E128 PolarHBondContact OH-OE1 3.14Å; W98-E128 PolarHBondContact NE1-O 3.46Å
129N90.3Very high92.8Very high100 Ų10047.3 Ų47.354%0.53525%0.25SC..THydrogen-bonded Turntrans-105.648-177.4-59.2-52.9000111.5H44 A127H44-N129 PolarHBondContact CE1-OD1 3.21Å; H44-N129 PolarHBondContact NE2-OD1 3.01Å; A127-N129 VanDerWaalsContact C-N 3.29Å; A127-N129 PolarHBondContact O-N 2.58Å
130S91.4Very high92.2Very high10 Ų1046 Ų467%0.0724%0.243CC..SBendtrans-100.69.8-177.649.20000114.9D96 W98 A127 G135 Y136D96-S130 PolarHBondContact OD2-N 3.06Å; D96-S130 VanDerWaalsContact OD2-N 3.08Å; W98-S130 WeakPolarHBondContact CZ2-OG 3.41Å; A127-S130 WeakPolarHBondContact O-CB 3.4Å; A127-S130 PolarHBondContact O-N 3.12Å; A127-S130 PolarHBondContact O-OG 2.65Å; S130-G135 CarbonylContact O-C 3.02Å; S130-G135 WeakPolarHBondContact O-CA 3.43Å; S130-Y136 PolarHBondContact O-N 3.22Å; S130-Y136 VanDerWaalsContact O-N 3.13Å; S130-Y136 WeakPolarHBondContact OG-CB 3.27Å
131G92.6Very high91.6Very high43 Ų4342.8 Ų42.844%0.44324%0.238SC..SBendtrans77.335.7-174.400000111.7D96 G135D96-G131 VanDerWaalsContact OD1-CA 3.27Å; D96-G131 WeakPolarHBondContact OD1-CA 3.16Å; D96-G131 PolarHBondContact OD1-N 2.74Å; D96-G131 WeakPolarHBondContact OD2-CA 3.37Å; D96-G131 PolarHBondContact OD2-N 2.77Å; G131-G135 PolarHBondContact O-N 3.13Å
132G93.4Very high90.8Very high4 Ų446 Ų464%0.04125%0.25CS..Hα-helixtrans67.6-169.9-176.400000112.8D96 W98 H134 G135 Y136D96-G132 VanDerWaalsContact O-CA 3.27Å; D96-G132 WeakPolarHBondContact O-CA 3.33Å; D96-G132 PolarHBondContact OD2-N 3.39Å; W98-G132 VanDerWaalsContact CH2-O 3.26Å; W98-G132 WeakPolarHBondContact CH2-O 3.47Å; W98-G132 VanDerWaalsContact CZ2-CA 3.41Å; G132-H134 PolarHBondContact O-N 2.9Å; G132-G135 PolarHBondContact O-N 2.99Å; G132-Y136 WeakPolarHBondContact O-CB 3.34Å; G132-Y136 PolarHBondContact O-N 3.01Å
133L92.6Very high90Very high31 Ų3140.1 Ų40.116%0.16223%0.225CC..Hα-helixtrans-60.8-32.5-178.3-177.665.5000111.9R9 D10 W98 N137R9-L133 WeakPolarHBondContact O-CD2 3.48Å; D10-L133 HydrophobicContact CB-CD2 4.12Å; D10-L133 WeakPolarHBondContact O-CD2 3.29Å; W98-L133 VanDerWaalsContact CH2-N 3.32Å; W98-L133 HydrophobicContact CZ3-CB 3.97Å; L133-N137 WeakPolarHBondContact O-CB 3.28Å; L133-N137 PolarHBondContact O-N 3.43Å; L133-N137 VanDerWaalsContact O-N 3.13Å; L133-N137 PolarHBondContact O-ND2 2.99Å
134H92.6Very high89.1Confident133 Ų13348.9 Ų48.962%0.61625%0.252SS*.Hα-helixtrans-66.7-55.4177.9179.662.5000111.4G132 Y136 N137 E138G132-H134 PolarHBondContact O-N 2.9Å; H134-Y136 VanDerWaalsContact C-N 3.29Å; H134-Y136 PolarHBondContact O-N 3.38Å; H134-N137 WeakPolarHBondContact O-CB 3.26Å; H134-N137 PolarHBondContact O-N 3.35Å; H134-E138 IonicContact CD2-OE1 3.99Å; H134-E138 IonicContact CE1-OE1 3.7Å; H134-E138 PolarHBondContact CE1-OE1 3.03Å; H134-E138 IonicContact NE2-OE1 3.11Å; H134-E138 PolarHBondContact NE2-OE1 3.19Å; H134-E138 VanDerWaalsContact NE2-OE1 3.11Å; H134-E138 PolarHBondContact O-N 3.33Å
135G92.5Very high88Confident11 Ų1153.1 Ų53.111%0.11327%0.27CS..Hα-helixtrans-62.1-36.7179.800000112.4S130 G131 G132 N137 E138 L139S130-G135 CarbonylContact O-C 3.02Å; S130-G135 WeakPolarHBondContact O-CA 3.43Å; G131-G135 PolarHBondContact O-N 3.13Å; G132-G135 PolarHBondContact O-N 2.99Å; G135-N137 VanDerWaalsContact C-N 3.32Å; G135-N137 PolarHBondContact O-N 3.2Å; G135-E138 WeakPolarHBondContact O-CB 3.49Å; G135-E138 PolarHBondContact O-N 2.83Å; G135-L139 WeakPolarHBondContact O-CG 3.26Å; G135-L139 PolarHBondContact O-N 3.41Å
136Y91.6Very high86.7Confident11 Ų1155.6 Ų55.64%0.04329%0.287CS..Hα-helixtrans-59.6-42.2172.2-172.5-112000112.8P126 S130 G132 H134 E138 L139 L140 L158 I162P126-Y136 HydrophobicContact CB-CD1 3.84Å; P126-Y136 HydrophobicContact CB-CD2 3.95Å; P126-Y136 HydrophobicContact CB-CE1 4.19Å; P126-Y136 HydrophobicContact CB-CE2 4.31Å; P126-Y136 HydrophobicContact CB-CG 3.71Å; P126-Y136 HydrophobicContact CG-CD1 4.05Å; P126-Y136 HydrophobicContact CG-CE1 4.31Å; P126-Y136 HydrophobicContact CG-CG 4.39Å; S130-Y136 PolarHBondContact O-N 3.22Å; S130-Y136 VanDerWaalsContact O-N 3.13Å; S130-Y136 WeakPolarHBondContact OG-CB 3.27Å; G132-Y136 WeakPolarHBondContact O-CB 3.34Å; G132-Y136 PolarHBondContact O-N 3.01Å; H134-Y136 VanDerWaalsContact C-N 3.29Å; H134-Y136 PolarHBondContact O-N 3.38Å; Y136-E138 VanDerWaalsContact C-N 3.34Å; Y136-L139 PolarHBondContact O-N 2.63Å; Y136-L140 HydrophobicContact CD1-CD1 3.85Å; Y136-L140 HydrophobicContact CD1-CG 4.35Å; Y136-L140 HydrophobicContact CE1-CD1 3.53Å; Y136-L140 HydrophobicContact CE1-CD2 4.44Å; Y136-L140 HydrophobicContact CE1-CG 4.04Å; Y136-L140 WeakPolarHBondContact O-CG 3.33Å; Y136-L140 PolarHBondContact O-N 3.26Å; Y136-L158 HydrophobicContact CE2-CD1 4.2Å; Y136-I162 WeakPolarHBondContact OH-CG1 3.27Å
137N90.3Very high85.7Confident59 Ų5963.5 Ų63.532%0.31633%0.329SS..Hα-helixtrans-68.2-35177.3-72.4-37.1000112L133 H134 G135 L140 L141L133-N137 WeakPolarHBondContact O-CB 3.28Å; L133-N137 PolarHBondContact O-N 3.43Å; L133-N137 VanDerWaalsContact O-N 3.13Å; L133-N137 PolarHBondContact O-ND2 2.99Å; H134-N137 WeakPolarHBondContact O-CB 3.26Å; H134-N137 PolarHBondContact O-N 3.35Å; G135-N137 VanDerWaalsContact C-N 3.32Å; G135-N137 PolarHBondContact O-N 3.2Å; N137-L140 WeakPolarHBondContact O-CB 3.19Å; N137-L140 PolarHBondContact O-N 2.96Å; N137-L141 WeakPolarHBondContact O-CG 3.39Å; N137-L141 PolarHBondContact O-N 2.95Å
138E89.6Confident85.1Confident89 Ų8965.9 Ų65.942%0.41634%0.34SS..Hα-helixtrans-63.5-43.7172.6-67-171.9149.800111.5H134 G135 Y136 L140 L141 Q142H134-E138 IonicContact CD2-OE1 3.99Å; H134-E138 IonicContact CE1-OE1 3.7Å; H134-E138 PolarHBondContact CE1-OE1 3.03Å; H134-E138 IonicContact NE2-OE1 3.11Å; H134-E138 PolarHBondContact NE2-OE1 3.19Å; H134-E138 VanDerWaalsContact NE2-OE1 3.11Å; H134-E138 PolarHBondContact O-N 3.33Å; G135-E138 WeakPolarHBondContact O-CB 3.49Å; G135-E138 PolarHBondContact O-N 2.83Å; Y136-E138 VanDerWaalsContact C-N 3.34Å; E138-L140 VanDerWaalsContact C-N 3.31Å; E138-L140 PolarHBondContact O-N 3.31Å; E138-L141 WeakPolarHBondContact O-CB 3.27Å; E138-L141 PolarHBondContact O-N 3.27Å; E138-L141 VanDerWaalsContact O-N 3.1Å; E138-Q142 WeakPolarHBondContact O-CG 3.36Å; E138-Q142 PolarHBondContact O-N 3.39Å
139L86.8Confident84.6Confident54 Ų5470.7 Ų70.728%0.28337%0.372SS..Hα-helixtrans-58.2-43.9173.4-70.7172.7000111.4G135 Y136 L141 Q142 A143 L158G135-L139 WeakPolarHBondContact O-CG 3.26Å; G135-L139 PolarHBondContact O-N 3.41Å; Y136-L139 PolarHBondContact O-N 2.63Å; L139-L141 VanDerWaalsContact C-N 3.28Å; L139-L141 PolarHBondContact O-N 2.84Å; L139-Q142 PolarHBondContact O-N 2.72Å; L139-A143 WeakPolarHBondContact O-CB 3.47Å; L139-A143 PolarHBondContact O-N 3.45Å; L139-L158 VanDerWaalsContact C-CD2 3.45Å; L139-L158 HydrophobicContact CB-CD1 4.23Å; L139-L158 HydrophobicContact CB-CD2 4.05Å; L139-L158 VanDerWaalsContact O-CD2 3.26Å; L139-L158 WeakPolarHBondContact O-CD2 3.36Å
140L85.8Confident83.8Confident44 Ų4472.8 Ų72.823%0.2338%0.378CS..Hα-helixtrans-61.6-34.9175.9-73.3173.8000112.9Y136 N137 E138 R144 L158 I162Y136-L140 HydrophobicContact CD1-CD1 3.85Å; Y136-L140 HydrophobicContact CD1-CG 4.35Å; Y136-L140 HydrophobicContact CE1-CD1 3.53Å; Y136-L140 HydrophobicContact CE1-CD2 4.44Å; Y136-L140 HydrophobicContact CE1-CG 4.04Å; Y136-L140 WeakPolarHBondContact O-CG 3.33Å; Y136-L140 PolarHBondContact O-N 3.26Å; N137-L140 WeakPolarHBondContact O-CB 3.19Å; N137-L140 PolarHBondContact O-N 2.96Å; E138-L140 VanDerWaalsContact C-N 3.31Å; E138-L140 PolarHBondContact O-N 3.31Å; L140-R144 WeakPolarHBondContact O-CG 3.23Å; L140-L158 HydrophobicContact CD2-CD2 3.9Å; L140-L158 HydrophobicContact CG-CD2 4.35Å; L140-I162 HydrophobicContact CD2-CD1 3.63Å
141L85Confident83.1Confident102 Ų10274.4 Ų74.453%0.53439%0.385SS..Hα-helixtrans-71.3-48.6175.7-71.2171000111N137 E138 L139 A143 R144 E145N137-L141 WeakPolarHBondContact O-CG 3.39Å; N137-L141 PolarHBondContact O-N 2.95Å; E138-L141 WeakPolarHBondContact O-CB 3.27Å; E138-L141 PolarHBondContact O-N 3.27Å; E138-L141 VanDerWaalsContact O-N 3.1Å; L139-L141 VanDerWaalsContact C-N 3.28Å; L139-L141 PolarHBondContact O-N 2.84Å; L141-A143 VanDerWaalsContact C-N 3.28Å; L141-A143 PolarHBondContact O-N 3.32Å; L141-R144 WeakPolarHBondContact O-CB 3.47Å; L141-R144 PolarHBondContact O-N 3.07Å; L141-E145 PolarHBondContact O-N 2.89Å
142Q81.8Confident82.5Confident78 Ų7874 Ų7436%0.36438%0.377SS..Hα-helixtrans-59-40.4178.7-70173.317.700111.9E138 L139 R144 E145E138-Q142 WeakPolarHBondContact O-CG 3.36Å; E138-Q142 PolarHBondContact O-N 3.39Å; L139-Q142 PolarHBondContact O-N 2.72Å; Q142-R144 PolarHBondContact O-N 3.14Å; Q142-E145 CarbonylContact O-C 3.6Å; Q142-E145 PolarHBondContact O-N 3.16Å; Q142-E145 VanDerWaalsContact O-N 3.16Å
143A79.6Confident81.9Confident1 Ų180.6 Ų80.61%0.00841%0.407CS..Hα-helixtrans-62-31.9177.200000112.6L139 L141 E145 H155 L158 M159L139-A143 WeakPolarHBondContact O-CB 3.47Å; L139-A143 PolarHBondContact O-N 3.45Å; L141-A143 VanDerWaalsContact C-N 3.28Å; L141-A143 PolarHBondContact O-N 3.32Å; A143-E145 VanDerWaalsContact C-N 3.31Å; A143-H155 HydrophobicContact CB-CB 4.12Å; A143-H155 WeakPolarHBondContact O-CB 3.39Å; A143-H155 PolarHBondContact O-CD2 3.18Å; A143-L158 HydrophobicContact CB-CB 4.36Å; A143-L158 HydrophobicContact CB-CD2 3.53Å; A143-M159 HydrophobicContact CB-CE 4.21Å
144R76.8Confident81.3Confident202 Ų20281.6 Ų81.676%0.76241%0.412SS*.Hα-helixtrans-72.6-26.7177.8-71.3173.8-179.2-175.12.3113L140 L141 Q142 S146L140-R144 WeakPolarHBondContact O-CG 3.23Å; L141-R144 WeakPolarHBondContact O-CB 3.47Å; L141-R144 PolarHBondContact O-N 3.07Å; Q142-R144 PolarHBondContact O-N 3.14Å; R144-S146 PolarHBondContact O-N 3.35Å
145E70.6Confident80.8Confident125 Ų12578 Ų7858%0.58440%0.395SS*.  trans-95.262-179.2-63-176.5178.300109.4L141 Q142 A143 D147 Q151L141-E145 PolarHBondContact O-N 2.89Å; Q142-E145 CarbonylContact O-C 3.6Å; Q142-E145 PolarHBondContact O-N 3.16Å; Q142-E145 VanDerWaalsContact O-N 3.16Å; A143-E145 VanDerWaalsContact C-N 3.31Å; E145-D147 PolarHBondContact O-N 3.23Å; E145-D147 VanDerWaalsContact O-N 3.12Å; E145-Q151 WeakPolarHBondContact O-CB 3.49Å; E145-Q151 PolarHBondContact O-NE2 3.45Å; E145-Q151 PolarHBondContact O-OE1 2.77Å
146S68Low80.4Confident52 Ų5282 Ų8236%0.36441%0.414SS..  trans-82.923.9-172.671.60000114.6R144 N148R144-S146 PolarHBondContact O-N 3.35Å; S146-N148 PolarHBondContact O-N 3.04Å
147D71.1Confident80.2Confident166 Ų16688.5 Ų88.589%0.88844%0.443SS*.  trans-76.7-7.5-169.1-69.6-11.2000112.9E145E145-D147 PolarHBondContact O-N 3.23Å; E145-D147 VanDerWaalsContact O-N 3.12Å
148N77.8Confident79.9Confident64 Ų6486 Ų8634%0.34243%0.429SS..SBendtrans-118.2158169.985.240.2000112.7S146 E150 Q151 A152S146-N148 PolarHBondContact O-N 3.04Å; N148-E150 PolarHBondContact O-N 3.31Å; N148-E150 PolarHBondContact OD1-N 3.43Å; N148-E150 VanDerWaalsContact OD1-N 3.08Å; N148-Q151 PolarHBondContact ND2-OE1 3.36Å; N148-Q151 PolarHBondContact O-N 3.34Å; N148-Q151 WeakPolarHBondContact OD1-CB 3.34Å; N148-Q151 WeakPolarHBondContact OD1-CG 3.48Å; N148-Q151 PolarHBondContact OD1-N 2.92Å; N148-A152 PolarHBondContact O-N 3.38Å
149P75.7Confident79.7Confident106 Ų10684.7 Ų84.769%0.68842%0.424SS*.Hα-helixtrans-61.4-37.7-174.8-24.434.4000114.9Q151 A152 E153P149-Q151 VanDerWaalsContact C-N 3.34Å; P149-A152 WeakPolarHBondContact O-CB 3.43Å; P149-A152 PolarHBondContact O-N 2.66Å; P149-E153 PolarHBondContact O-N 2.83Å; P149-E153 VanDerWaalsContact O-N 3.13Å
150E74.5Confident79.6Confident144 Ų14486.6 Ų86.667%0.67343%0.434SS*.Hα-helixtrans-66.7-39.5179.9-168.9174.2-17000110.6N148 E153 I154N148-E150 PolarHBondContact O-N 3.31Å; N148-E150 PolarHBondContact OD1-N 3.43Å; N148-E150 VanDerWaalsContact OD1-N 3.08Å; E150-E153 PolarHBondContact O-N 3.38Å; E150-I154 WeakPolarHBondContact O-CG1 3.44Å; E150-I154 PolarHBondContact O-N 2.89Å; E150-I154 VanDerWaalsContact O-N 3.12Å
151Q77.1Confident79.6Confident44 Ų4485.2 Ų85.221%0.20643%0.426CS..Hα-helixtrans-69.3-31.8173.9-69.2172-43.600112.5E145 N148 P149 I154 H155E145-Q151 WeakPolarHBondContact O-CB 3.49Å; E145-Q151 PolarHBondContact O-NE2 3.45Å; E145-Q151 PolarHBondContact O-OE1 2.77Å; N148-Q151 PolarHBondContact ND2-OE1 3.36Å; N148-Q151 PolarHBondContact O-N 3.34Å; N148-Q151 WeakPolarHBondContact OD1-CB 3.34Å; N148-Q151 WeakPolarHBondContact OD1-CG 3.48Å; N148-Q151 PolarHBondContact OD1-N 2.92Å; P149-Q151 VanDerWaalsContact C-N 3.34Å; Q151-I154 PolarHBondContact O-N 3.1Å; Q151-H155 VanDerWaalsContact O-CB 3.3Å; Q151-H155 WeakPolarHBondContact O-CB 3.5Å; Q151-H155 PolarHBondContact O-N 3.4Å
152A79.2Confident79.6Confident34 Ų3482 Ų8228%0.28141%0.409SS..Hα-helixtrans-66.4-38.2174.200000112.1N148 P149 H155 N156N148-A152 PolarHBondContact O-N 3.38Å; P149-A152 WeakPolarHBondContact O-CB 3.43Å; P149-A152 PolarHBondContact O-N 2.66Å; A152-H155 PolarHBondContact O-N 2.52Å; A152-N156 WeakPolarHBondContact O-CB 3.34Å; A152-N156 VanDerWaalsContact O-CG 3.27Å; A152-N156 PolarHBondContact O-N 2.98Å; A152-N156 PolarHBondContact O-ND2 3.38Å
153E81.9Confident79.8Confident143 Ų14384.7 Ų84.767%0.66842%0.422SS*.Hα-helixtrans-64.4-47.2172.9-71.6-177.8-175.700111.4P149 E150 H155 N156 F157P149-E153 PolarHBondContact O-N 2.83Å; P149-E153 VanDerWaalsContact O-N 3.13Å; E150-E153 PolarHBondContact O-N 3.38Å; E153-H155 VanDerWaalsContact C-N 3.33Å; E153-H155 PolarHBondContact O-N 3.34Å; E153-N156 PolarHBondContact O-N 2.62Å; E153-F157 WeakPolarHBondContact O-CB 3.45Å; E153-F157 PolarHBondContact O-N 3.3Å
154I79.6Confident80.1Confident52 Ų5292.7 Ų92.727%0.26745%0.452SS..Hα-helixtrans-58.7-45.1175.4-66.7167.5000110.8E150 Q151 F157 L158E150-I154 WeakPolarHBondContact O-CG1 3.44Å; E150-I154 PolarHBondContact O-N 2.89Å; E150-I154 VanDerWaalsContact O-N 3.12Å; Q151-I154 PolarHBondContact O-N 3.1Å; I154-F157 PolarHBondContact O-N 3.3Å; I154-L158 VanDerWaalsContact O-CB 3.3Å; I154-L158 WeakPolarHBondContact O-CB 3.26Å; I154-L158 PolarHBondContact O-N 3.02Å
155H82.5Confident80.6Confident56 Ų5685.5 Ų85.526%0.25943%0.425SS..Hα-helixtrans-58.5-50.8177.2170.8-91.3000111.5A143 Q151 A152 E153 F157 L158 M159A143-H155 HydrophobicContact CB-CB 4.12Å; A143-H155 WeakPolarHBondContact O-CB 3.39Å; A143-H155 PolarHBondContact O-CD2 3.18Å; Q151-H155 VanDerWaalsContact O-CB 3.3Å; Q151-H155 WeakPolarHBondContact O-CB 3.5Å; Q151-H155 PolarHBondContact O-N 3.4Å; A152-H155 PolarHBondContact O-N 2.52Å; E153-H155 VanDerWaalsContact C-N 3.33Å; E153-H155 PolarHBondContact O-N 3.34Å; H155-F157 VanDerWaalsContact C-N 3.34Å; H155-F157 PolarHBondContact O-N 3Å; H155-L158 PolarHBondContact O-N 3.36Å; H155-M159 WeakPolarHBondContact NE2-CG 3.5Å; H155-M159 WeakPolarHBondContact O-CG 3.44Å; H155-M159 PolarHBondContact O-N 2.92Å
156N84.3Confident81.7Confident97 Ų9783.2 Ų83.252%0.51942%0.42SS..Hα-helixtrans-62.6-43.5-178.5-72.6-23.1000111.7A152 E153 M159 L160A152-N156 WeakPolarHBondContact O-CB 3.34Å; A152-N156 VanDerWaalsContact O-CG 3.27Å; A152-N156 PolarHBondContact O-N 2.98Å; A152-N156 PolarHBondContact O-ND2 3.38Å; E153-N156 PolarHBondContact O-N 2.62Å; N156-M159 PolarHBondContact O-N 3.11Å; N156-L160 WeakPolarHBondContact O-CG 3.49Å; N156-L160 PolarHBondContact O-N 2.78Å; N156-L160 VanDerWaalsContact O-N 3.14Å
157F85.5Confident83Confident147 Ų14783.8 Ų83.865%0.64541%0.414SS*.Hα-helixtrans-58.3-49.1174.3176.9-96.4000111.2E153 I154 H155 M159 L160 D161E153-F157 WeakPolarHBondContact O-CB 3.45Å; E153-F157 PolarHBondContact O-N 3.3Å; I154-F157 PolarHBondContact O-N 3.3Å; H155-F157 VanDerWaalsContact C-N 3.34Å; H155-F157 PolarHBondContact O-N 3Å; F157-M159 PolarHBondContact O-N 3.04Å; F157-L160 PolarHBondContact O-N 3.08Å; F157-D161 WeakPolarHBondContact O-CB 3.37Å; F157-D161 PolarHBondContact O-N 3.32Å
158L84.6Confident84.2Confident5 Ų579.3 Ų79.33%0.02639%0.39CS..Hα-helixtrans-67.5-34.9-177.7-167.867.7000112.7Y136 L139 L140 A143 I154 H155 D161 I162Y136-L158 HydrophobicContact CE2-CD1 4.2Å; L139-L158 VanDerWaalsContact C-CD2 3.45Å; L139-L158 HydrophobicContact CB-CD1 4.23Å; L139-L158 HydrophobicContact CB-CD2 4.05Å; L139-L158 VanDerWaalsContact O-CD2 3.26Å; L139-L158 WeakPolarHBondContact O-CD2 3.36Å; L140-L158 HydrophobicContact CD2-CD2 3.9Å; L140-L158 HydrophobicContact CG-CD2 4.35Å; A143-L158 HydrophobicContact CB-CB 4.36Å; A143-L158 HydrophobicContact CB-CD2 3.53Å; I154-L158 VanDerWaalsContact O-CB 3.3Å; I154-L158 WeakPolarHBondContact O-CB 3.26Å; I154-L158 PolarHBondContact O-N 3.02Å; H155-L158 PolarHBondContact O-N 3.36Å; L158-D161 WeakPolarHBondContact O-CB 3.48Å; L158-D161 PolarHBondContact O-N 2.85Å; L158-I162 HydrophobicContact CG-CD1 4.04Å; L158-I162 WeakPolarHBondContact O-CB 3.13Å; L158-I162 WeakPolarHBondContact O-CD1 3.34Å; L158-I162 VanDerWaalsContact O-CG1 3.23Å; L158-I162 WeakPolarHBondContact O-CG1 3.41Å; L158-I162 PolarHBondContact O-N 3.49Å
159M84.8Confident85.2Confident62 Ų6279.2 Ų79.231%0.30539%0.389SS..Hα-helixtrans-67.5-44.7176.7-70-51.1110.300111.8A143 H155 N156 F157 D161 I162 E163A143-M159 HydrophobicContact CB-CE 4.21Å; H155-M159 WeakPolarHBondContact NE2-CG 3.5Å; H155-M159 WeakPolarHBondContact O-CG 3.44Å; H155-M159 PolarHBondContact O-N 2.92Å; N156-M159 PolarHBondContact O-N 3.11Å; F157-M159 PolarHBondContact O-N 3.04Å; M159-D161 PolarHBondContact O-N 3.13Å; M159-I162 HydrophobicContact CE-CD1 3.67Å; M159-I162 PolarHBondContact O-N 2.89Å; M159-I162 HydrophobicContact SD-CD1 4.25Å; M159-E163 WeakPolarHBondContact O-CG 3.34Å; M159-E163 PolarHBondContact O-N 3.4Å
160L86.1Confident86.2Confident95 Ų9577.7 Ų77.750%0.49738%0.381SS..Hα-helixtrans-59.3-36.6173.4-72.9169.8000111.4N156 F157 R164N156-L160 WeakPolarHBondContact O-CG 3.49Å; N156-L160 PolarHBondContact O-N 2.78Å; N156-L160 VanDerWaalsContact O-N 3.14Å; F157-L160 PolarHBondContact O-N 3.08Å; L160-R164 WeakPolarHBondContact O-CG 3.42Å; L160-R164 PolarHBondContact O-N 3.49Å
161D85.6Confident87.2Confident14 Ų1476.5 Ų76.58%0.07537%0.37CS..Hα-helixtrans-66.8-47177.7-166.464.5000113.1F157 L158 M159 E163 R164 R165F157-D161 WeakPolarHBondContact O-CB 3.37Å; F157-D161 PolarHBondContact O-N 3.32Å; L158-D161 WeakPolarHBondContact O-CB 3.48Å; L158-D161 PolarHBondContact O-N 2.85Å; M159-D161 PolarHBondContact O-N 3.13Å; D161-E163 VanDerWaalsContact C-N 3.33Å; D161-E163 PolarHBondContact O-N 2.43Å; D161-R164 WeakPolarHBondContact O-CB 3.3Å; D161-R164 PolarHBondContact O-N 3.25Å; D161-R164 VanDerWaalsContact O-N 3.16Å; D161-R165 PolarHBondContact O-N 2.8Å; D161-R165 VanDerWaalsContact O-N 3.14Å; D161-R165 IonicContact OD1-CZ 4Å; D161-R165 IonicContact OD1-NE 3.45Å; D161-R165 PolarHBondContact OD1-NE 3.11Å; D161-R165 IonicContact OD1-NH1 3.04Å; D161-R165 IonicContact OD1-NH2 3.3Å; D161-R165 PolarHBondContact OD1-NH2 3.36Å; D161-R165 IonicContact OD2-CZ 3.78Å; D161-R165 IonicContact OD2-NE 3.07Å; D161-R165 PolarHBondContact OD2-NE 2.79Å; D161-R165 IonicContact OD2-NH2 2.87Å; D161-R165 PolarHBondContact OD2-NH2 2.96Å
162I85.6Confident88.1Confident34 Ų3474.6 Ų74.617%0.17436%0.362CS..Hα-helixtrans-60.1-43.3175.8-74.8164.8000110.7T124 Y136 L140 L158 M159 R164 R165 V166T124-I162 HydrophobicContact CG2-CB 4.39Å; T124-I162 HydrophobicContact CG2-CG1 4.42Å; T124-I162 HydrophobicContact CG2-CG2 4.03Å; Y136-I162 WeakPolarHBondContact OH-CG1 3.27Å; L140-I162 HydrophobicContact CD2-CD1 3.63Å; L158-I162 HydrophobicContact CG-CD1 4.04Å; L158-I162 WeakPolarHBondContact O-CB 3.13Å; L158-I162 WeakPolarHBondContact O-CD1 3.34Å; L158-I162 VanDerWaalsContact O-CG1 3.23Å; L158-I162 WeakPolarHBondContact O-CG1 3.41Å; L158-I162 PolarHBondContact O-N 3.49Å; M159-I162 HydrophobicContact CE-CD1 3.67Å; M159-I162 PolarHBondContact O-N 2.89Å; M159-I162 HydrophobicContact SD-CD1 4.25Å; I162-R164 VanDerWaalsContact C-N 3.26Å; I162-R164 PolarHBondContact O-N 3.37Å; I162-R165 CarbonylContact O-C 3.45Å; I162-R165 PolarHBondContact O-N 3.47Å; I162-V166 PolarHBondContact O-N 3.44Å
163E85.3Confident89Confident135 Ų13574.9 Ų74.963%0.63136%0.359SS*.Hα-helixtrans-58.4-40.3176.8-76.1178.7174.800111.7M159 D161 R165M159-E163 WeakPolarHBondContact O-CG 3.34Å; M159-E163 PolarHBondContact O-N 3.4Å; D161-E163 VanDerWaalsContact C-N 3.33Å; D161-E163 PolarHBondContact O-N 2.43Å; E163-R165 VanDerWaalsContact C-N 3.27Å; E163-R165 PolarHBondContact O-N 3.06Å
164R85.8Confident89.8Confident169 Ų16972.4 Ų72.464%0.63835%0.35SS*.Hα-helixtrans-69.9-24.2177.8-71171.7179.7-171.31.2113.1L160 D161 I162 R171L160-R164 WeakPolarHBondContact O-CG 3.42Å; L160-R164 PolarHBondContact O-N 3.49Å; D161-R164 WeakPolarHBondContact O-CB 3.3Å; D161-R164 PolarHBondContact O-N 3.25Å; D161-R164 VanDerWaalsContact O-N 3.16Å; I162-R164 VanDerWaalsContact C-N 3.26Å; I162-R164 PolarHBondContact O-N 3.37Å; R164-R171 PolarHBondContact O-NH1 3.43Å
165R88.2Confident90.6Very high51 Ų5173 Ų7319%0.19235%0.349CS..Hα-helixtrans-1135.1-173.8-68.7-168.6-106.4-105.316.2114.4T124 T125 A127 D161 I162 E163T124-R165 WeakPolarHBondContact CA-O 3.42Å; T124-R165 HydrophobicContact CG2-CB 4.01Å; T125-R165 PolarHBondContact N-O 2.81Å; T125-R165 VanDerWaalsContact N-O 3.14Å; T125-R165 WeakPolarHBondContact O-CB 3.45Å; T125-R165 WeakPolarHBondContact O-CD 3.44Å; A127-R165 VanDerWaalsContact CA-NH2 3.27Å; D161-R165 PolarHBondContact O-N 2.8Å; D161-R165 VanDerWaalsContact O-N 3.14Å; D161-R165 IonicContact OD1-CZ 4Å; D161-R165 IonicContact OD1-NE 3.45Å; D161-R165 PolarHBondContact OD1-NE 3.11Å; D161-R165 IonicContact OD1-NH1 3.04Å; D161-R165 IonicContact OD1-NH2 3.3Å; D161-R165 PolarHBondContact OD1-NH2 3.36Å; D161-R165 IonicContact OD2-CZ 3.78Å; D161-R165 IonicContact OD2-NE 3.07Å; D161-R165 PolarHBondContact OD2-NE 2.79Å; D161-R165 IonicContact OD2-NH2 2.87Å; D161-R165 PolarHBondContact OD2-NH2 2.96Å; I162-R165 CarbonylContact O-C 3.45Å; I162-R165 PolarHBondContact O-N 3.47Å; E163-R165 VanDerWaalsContact C-N 3.27Å; E163-R165 PolarHBondContact O-N 3.06Å
166V92.1Very high91.3Very high78 Ų7870.4 Ų70.447%0.47334%0.337SS..SBendtrans-57.9143.1173.8110.20000109I162 D168I162-V166 PolarHBondContact O-N 3.44Å; V166-D168 PolarHBondContact O-N 2.85Å; V166-D168 VanDerWaalsContact O-N 3.1Å
167Y96Very high91.8Very high63 Ų6372.1 Ų72.125%0.24734%0.342CS..  trans-62.6116.8177.9167.1-101.5000110.4G121 I172G121-Y167 VanDerWaalsContact CA-CE2 3.42Å; G121-Y167 VanDerWaalsContact N-CZ 3.3Å; G121-Y167 PolarHBondContact N-OH 3.22Å; G121-Y167 WeakPolarHBondContact O-CE1 3.34Å; Y167-I172 HydrophobicContact CD2-CD1 3.58Å; Y167-I172 HydrophobicContact CE2-CD1 3.68Å
168D96.4Very high92.1Very high73 Ų7369.3 Ų69.339%0.3935%0.346SS..  trans-132.7115.5171.8-175.3-51.4000108.8V166 S170 R171 I172V166-D168 PolarHBondContact O-N 2.85Å; V166-D168 VanDerWaalsContact O-N 3.1Å; D168-S170 VanDerWaalsContact C-N 3.34Å; D168-S170 PolarHBondContact O-N 3.01Å; D168-S170 WeakPolarHBondContact OD1-CA 3.48Å; D168-S170 WeakPolarHBondContact OD1-CB 3.39Å; D168-S170 PolarHBondContact OD1-N 3.42Å; D168-R171 HydrophobicContact CB-CB 3.96Å; D168-R171 PolarHBondContact OD1-N 3.46Å; D168-I172 WeakPolarHBondContact O-CB 3.3Å; D168-I172 WeakPolarHBondContact O-CD1 3.36Å; D168-I172 WeakPolarHBondContact O-CG1 3.3Å; D168-I172 PolarHBondContact O-N 3.14Å
169L97.5Very high92.4Very high61 Ų6171.4 Ų71.432%0.31936%0.356SS..Hα-helixtrans-65.8-36.6-176.2-174.357.7000112.7C118 N173C118-L169 HydrophobicContact CB-CD1 4.03Å; C118-L169 VanDerWaalsContact O-CD1 3.23Å; C118-L169 WeakPolarHBondContact O-CD1 3.33Å; L169-N173 PolarHBondContact O-N 3.45Å; L169-N173 VanDerWaalsContact O-N 3.13Å; L169-N173 PolarHBondContact O-ND2 2.99Å
170S97.1Very high92.5Very high74 Ų7474.1 Ų74.152%0.51737%0.372SS..Hα-helixtrans-66.3-52.8179.1-167.10000109D168 I172 N173 D174D168-S170 VanDerWaalsContact C-N 3.34Å; D168-S170 PolarHBondContact O-N 3.01Å; D168-S170 WeakPolarHBondContact OD1-CA 3.48Å; D168-S170 WeakPolarHBondContact OD1-CB 3.39Å; D168-S170 PolarHBondContact OD1-N 3.42Å; S170-I172 VanDerWaalsContact C-N 3.28Å; S170-I172 PolarHBondContact O-N 3.43Å; S170-N173 CarbonylContact O-C 3.47Å; S170-N173 PolarHBondContact O-N 2.78Å; S170-D174 PolarHBondContact O-N 3.12Å
171R95.7Very high92.8Very high119 Ų11973.1 Ų73.145%0.44937%0.366SS..Hα-helixtrans-61.9-35.7-178.5-169.1175.2177.2-157.4-6.6112.8R164 D168 R175R164-R171 PolarHBondContact O-NH1 3.43Å; D168-R171 HydrophobicContact CB-CB 3.96Å; D168-R171 PolarHBondContact OD1-N 3.46Å; R171-R175 WeakPolarHBondContact O-CG 3.37Å; R171-R175 PolarHBondContact O-N 3.16Å; R171-R175 VanDerWaalsContact O-N 3.12Å
172I97.3Very high93.2Very high4 Ų476.2 Ų76.22%0.02138%0.381CS..Hα-helixtrans-62.7-47.6173.4-71.9162.1000110.5C118 Y167 D168 S170 D174 R175 L176C118-I172 HydrophobicContact CB-CG2 3.49Å; C118-I172 VanDerWaalsContact CB-CG2 3.49Å; Y167-I172 HydrophobicContact CD2-CD1 3.58Å; Y167-I172 HydrophobicContact CE2-CD1 3.68Å; D168-I172 WeakPolarHBondContact O-CB 3.3Å; D168-I172 WeakPolarHBondContact O-CD1 3.36Å; D168-I172 WeakPolarHBondContact O-CG1 3.3Å; D168-I172 PolarHBondContact O-N 3.14Å; S170-I172 VanDerWaalsContact C-N 3.28Å; S170-I172 PolarHBondContact O-N 3.43Å; I172-D174 VanDerWaalsContact C-N 3.34Å; I172-R175 PolarHBondContact O-N 2.82Å; I172-L176 HydrophobicContact CG2-CD1 3.98Å; I172-L176 WeakPolarHBondContact O-CG 3.34Å; I172-L176 PolarHBondContact O-N 2.88Å
173N97.8Very high93.6Very high41 Ų4178.5 Ų78.522%0.21939%0.393CS..Hα-helixtrans-68.1-34.1179.2-78.5-51.1000112.4S117 C118 L169 S170 R175 L176 Q177S117-N173 WeakPolarHBondContact CA-OD1 3.47Å; C118-N173 PolarHBondContact N-OD1 3.3Å; C118-N173 PolarHBondContact O-ND2 3.29Å; C118-N173 PolarHBondContact O-OD1 3.48Å; L169-N173 PolarHBondContact O-N 3.45Å; L169-N173 VanDerWaalsContact O-N 3.13Å; L169-N173 PolarHBondContact O-ND2 2.99Å; S170-N173 CarbonylContact O-C 3.47Å; S170-N173 PolarHBondContact O-N 2.78Å; N173-R175 VanDerWaalsContact C-N 3.3Å; N173-R175 PolarHBondContact O-N 3.25Å; N173-L176 PolarHBondContact O-N 3.01Å; N173-Q177 PolarHBondContact O-N 3.28Å; N173-Q177 VanDerWaalsContact O-N 3.1Å
174D97.1Very high94.1Very high90 Ų9075.2 Ų75.248%0.48138%0.379SS..Hα-helixtrans-59.9-41.7173.1-63.9-25.8000111S170 I172 Q177S170-D174 PolarHBondContact O-N 3.12Å; I172-D174 VanDerWaalsContact C-N 3.34Å; D174-Q177 WeakPolarHBondContact O-CB 3.48Å; D174-Q177 PolarHBondContact O-N 3.08Å
175R96.5Very high94.6Very high66 Ų6669.3 Ų69.325%0.24936%0.362CS..Hα-helixtrans-64.1-45.5172.8-70.3-173.2-57.1-1536.3111.9L36 A37 G39 R171 I172 N173 Q177 A178L36-R175 HydrophobicContact CB-CB 4.22Å; L36-R175 HydrophobicContact CD2-CB 4.21Å; L36-R175 PolarHBondContact O-NE 3.43Å; L36-R175 PolarHBondContact O-NH2 2.89Å; A37-R175 PolarHBondContact O-NH2 2.99Å; G39-R175 VanDerWaalsContact CA-CZ 3.4Å; R171-R175 WeakPolarHBondContact O-CG 3.37Å; R171-R175 PolarHBondContact O-N 3.16Å; R171-R175 VanDerWaalsContact O-N 3.12Å; I172-R175 PolarHBondContact O-N 2.82Å; N173-R175 VanDerWaalsContact C-N 3.3Å; N173-R175 PolarHBondContact O-N 3.25Å; R175-Q177 PolarHBondContact O-N 3.37Å; R175-Q177 VanDerWaalsContact O-N 3.16Å; R175-A178 WeakPolarHBondContact O-CB 3.49Å; R175-A178 PolarHBondContact O-N 2.95Å
176L97.3Very high95Very high0 Ų070.5 Ų70.50%037%0.374CS..Hα-helixtrans-63.5-18.7-178.8-71.5170.5000113.5V33 L36 I116 C118 I172 N173 A178 I179 N180V33-L176 HydrophobicContact CB-CD2 4.49Å; V33-L176 HydrophobicContact CG1-CD2 4.04Å; L36-L176 HydrophobicContact CB-CD2 3.91Å; L36-L176 HydrophobicContact CD1-CD2 4.44Å; I116-L176 HydrophobicContact CG2-CD2 4.16Å; C118-L176 HydrophobicContact CB-CD1 3.94Å; I172-L176 HydrophobicContact CG2-CD1 3.98Å; I172-L176 WeakPolarHBondContact O-CG 3.34Å; I172-L176 PolarHBondContact O-N 2.88Å; N173-L176 PolarHBondContact O-N 3.01Å; L176-A178 PolarHBondContact O-N 3.23Å; L176-I179 PolarHBondContact O-N 2.86Å; L176-N180 PolarHBondContact O-ND2 3.37Å
177Q95.1Very high95.2Very high133 Ų13370 Ų7062%0.62137%0.367SS*.G310 helixtrans-60.4-22.4171.5-70.6-176.35.600113.1N173 D174 R175 I179 N180N173-Q177 PolarHBondContact O-N 3.28Å; N173-Q177 VanDerWaalsContact O-N 3.1Å; D174-Q177 WeakPolarHBondContact O-CB 3.48Å; D174-Q177 PolarHBondContact O-N 3.08Å; R175-Q177 PolarHBondContact O-N 3.37Å; R175-Q177 VanDerWaalsContact O-N 3.16Å; Q177-I179 PolarHBondContact O-N 3.43Å; Q177-N180 PolarHBondContact O-N 3.12Å
178A93.1Very high95.2Very high89 Ų8970.5 Ų70.574%0.73638%0.376SS*.G310 helixtrans-65.8-16.1178.300000114.4L36 R175 L176L36-A178 HydrophobicContact CD1-CB 4.48Å; R175-A178 WeakPolarHBondContact O-CB 3.49Å; R175-A178 PolarHBondContact O-N 2.95Å; L176-A178 PolarHBondContact O-N 3.23Å
179I91Very high95.1Very high48 Ų4870.3 Ų70.325%0.24638%0.375CS..G310 helixtrans-106.9-10.9-179.3-58.2179000111.8A32 V33 L36 I116 L176 Q177A32-I179 HydrophobicContact CB-CD1 3.52Å; V33-I179 HydrophobicContact CG2-CD1 4.11Å; L36-I179 HydrophobicContact CD1-CD1 3.36Å; L36-I179 HydrophobicContact CD1-CG1 3.65Å; L36-I179 HydrophobicContact CG-CD1 4.38Å; I116-I179 HydrophobicContact CD1-CG2 3.91Å; L176-I179 PolarHBondContact O-N 2.86Å; Q177-I179 PolarHBondContact O-N 3.43Å
180N85.5Confident94.9Very high119 Ų11971.2 Ų71.264%0.63638%0.38SS*.  trans-84.20-177.5-76-65.1000113.7P115 I116 L176 Q177P115-N180 WeakPolarHBondContact CA-OD1 3.44Å; P115-N180 HydrophobicContact CB-CB 4.46Å; P115-N180 WeakPolarHBondContact CB-OD1 3.37Å; I116-N180 PolarHBondContact N-OD1 3.13Å; I116-N180 PolarHBondContact O-ND2 3.25Å; L176-N180 PolarHBondContact O-ND2 3.37Å; Q177-N180 PolarHBondContact O-N 3.12Å

Retrieved 180 of 180 residues in 91.5 ms (Link to these results)

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