A0A077Z7F8_TRITR Loading...

40S ribosomal protein S3

AlphaFold DB , UniProt , Accession A0A077Z7F8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 201 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
1M84.1Confident89.4Confident62 Ų6268.9 Ų68.931%0.30533%0.326SS..  0-53.30-73.1170.6-165.300113.1N3 L4 F5 L17 M26 I28 V53 F57M1-N3 PolarHBondContact O-N 3.34Å; M1-L4 VanDerWaalsContact O-CB 3.29Å; M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 3.09Å; M1-F5 HydrophobicContact CB-CE2 4.24Å; M1-F5 PolarHBondContact O-N 3.42Å; M1-L17 HydrophobicContact CB-CD2 4.01Å; M1-M26 HydrophobicContact CE-CE 4.04Å; M1-M26 HydrophobicContact SD-CE 4.16Å; M1-I28 HydrophobicContact CE-CD1 4.28Å; M1-I28 HydrophobicContact SD-CD1 3.82Å; M1-V53 HydrophobicContact CE-CG1 4.15Å; M1-F57 HydrophobicContact CE-CD1 4.42Å; M1-F57 HydrophobicContact CE-CD2 3.7Å; M1-F57 HydrophobicContact CE-CE1 4.42Å; M1-F57 HydrophobicContact CE-CE2 3.71Å; M1-F57 HydrophobicContact CE-CG 4.09Å; M1-F57 HydrophobicContact CE-CZ 4.09Å; M1-F57 HydrophobicContact CG-CD2 4.44Å; M1-F57 HydrophobicContact CG-CE2 3.52Å; M1-F57 HydrophobicContact CG-CZ 3.62Å; M1-F57 HydrophobicContact SD-CE2 4.47Å
2N88.2Confident89.5Confident87 Ų8763.7 Ų63.747%0.46530%0.301SS..Hα-helixtrans-49.8-47.6-174-16610.1000114.6L4 F5 M6 Y14N2-L4 VanDerWaalsContact C-N 3.28Å; N2-L4 PolarHBondContact O-N 3.45Å; N2-F5 PolarHBondContact O-N 2.93Å; N2-M6 VanDerWaalsContact O-CB 3.24Å; N2-M6 WeakPolarHBondContact O-CB 3.15Å; N2-M6 PolarHBondContact O-N 3.44Å; N2-Y14 VanDerWaalsContact OD1-CE1 3.3Å; N2-Y14 WeakPolarHBondContact OD1-CE1 3.38Å; N2-Y14 PolarHBondContact OD1-OH 3.29Å
3N89.1Confident89.4Confident94 Ų9459.1 Ų59.150%0.50328%0.281SS..Hα-helixtrans-63.2-28.9177.9-173.228.6000114M1 R7M1-N3 PolarHBondContact O-N 3.34Å; N3-R7 WeakPolarHBondContact O-CG 3.49Å; N3-R7 PolarHBondContact O-N 3.33Å; N3-R7 PolarHBondContact OD1-NE 2.63Å
4L90.2Very high89.7Confident40 Ų4055.1 Ų55.121%0.20926%0.262CS..Hα-helixtrans-67.2-55.2176.4174.359000109.9M1 N2 M6 R7 E8M1-L4 VanDerWaalsContact O-CB 3.29Å; M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 3.09Å; N2-L4 VanDerWaalsContact C-N 3.28Å; N2-L4 PolarHBondContact O-N 3.45Å; L4-M6 VanDerWaalsContact C-N 3.3Å; L4-M6 PolarHBondContact O-N 3.15Å; L4-R7 PolarHBondContact O-N 3.4Å; L4-E8 PolarHBondContact O-N 3.49Å
5F92.2Very high89.7Confident1 Ų152.6 Ų52.60%0.00425%0.253CS..Hα-helixtrans-65.4-35.2179.9-63.3-50.2000112.5M1 N2 R7 E8 L9 Y14 L17 I28 I30 L49 V53 L66M1-F5 HydrophobicContact CB-CE2 4.24Å; M1-F5 PolarHBondContact O-N 3.42Å; N2-F5 PolarHBondContact O-N 2.93Å; F5-R7 PolarHBondContact O-N 3.41Å; F5-E8 PolarHBondContact O-N 2.98Å; F5-L9 HydrophobicContact CB-CD1 4.33Å; F5-L9 HydrophobicContact CD1-CD1 4.27Å; F5-L9 WeakPolarHBondContact O-CA 3.37Å; F5-L9 VanDerWaalsContact O-CB 3.27Å; F5-L9 WeakPolarHBondContact O-CB 3.4Å; F5-L9 PolarHBondContact O-N 3.14Å; F5-Y14 HydrophobicContact CB-CD2 4.05Å; F5-Y14 HydrophobicContact CB-CE2 3.54Å; F5-Y14 HydrophobicContact CG-CE2 4.44Å; F5-L17 HydrophobicContact CD2-CD1 3.58Å; F5-L17 HydrophobicContact CD2-CD2 4.35Å; F5-L17 HydrophobicContact CD2-CG 4.5Å; F5-L17 HydrophobicContact CE2-CD1 3.54Å; F5-L17 HydrophobicContact CE2-CD2 4.27Å; F5-I28 HydrophobicContact CE2-CG2 4.46Å; F5-I30 HydrophobicContact CD1-CD1 4.37Å; F5-I30 HydrophobicContact CE1-CD1 4.18Å; F5-I30 HydrophobicContact CZ-CD1 4.37Å; F5-L49 HydrophobicContact CE1-CD2 4.34Å; F5-V53 HydrophobicContact CE1-CG2 4.37Å; F5-V53 HydrophobicContact CZ-CG2 3.8Å; F5-L66 HydrophobicContact CZ-CD2 4.06Å
6M91Very high89.8Confident54 Ų5450.1 Ų50.127%0.26625%0.245SC..Hα-helixtrans-61.9-31.2176.2-177.2174142.900113.1N2 L4 A10 Y14 R153N2-M6 VanDerWaalsContact O-CB 3.24Å; N2-M6 WeakPolarHBondContact O-CB 3.15Å; N2-M6 PolarHBondContact O-N 3.44Å; L4-M6 VanDerWaalsContact C-N 3.3Å; L4-M6 PolarHBondContact O-N 3.15Å; M6-A10 WeakPolarHBondContact O-CB 3.49Å; M6-Y14 HydrophobicContact CB-CD1 4.07Å; M6-Y14 HydrophobicContact CB-CE1 3.97Å; M6-Y14 HydrophobicContact CG-CD1 4.47Å; M6-R153 VanDerWaalsContact CE-NE 3.26Å; M6-R153 VanDerWaalsContact CE-NH1 3.35Å; M6-R153 VanDerWaalsContact CE-NH2 3.34Å; M6-R153 PolarHBondContact SD-NH2 2.99Å
7R89.3Confident90Very high188 Ų18849.5 Ų49.571%0.70924%0.243SC*.Hα-helixtrans-81.2-47.3175.7-70.5177.2-177-158.6-4.1111.6N3 L4 F5N3-R7 WeakPolarHBondContact O-CG 3.49Å; N3-R7 PolarHBondContact O-N 3.33Å; N3-R7 PolarHBondContact OD1-NE 2.63Å; L4-R7 PolarHBondContact O-N 3.4Å; F5-R7 PolarHBondContact O-N 3.41Å
8E90.6Very high90.2Very high96 Ų9651.6 Ų51.645%0.44925%0.252SS..Hα-helixtrans-71.4-40.3-174-168.259.2-151.100112.8L4 F5 R45 L49L4-E8 PolarHBondContact O-N 3.49Å; F5-E8 PolarHBondContact O-N 2.98Å; E8-R45 PolarHBondContact O-NH2 3.5Å; E8-L49 HydrophobicContact CG-CD2 4.08Å
9L92.8Very high90.4Very high0 Ų052.4 Ų52.40%026%0.26CS..THydrogen-bonded Turntrans-103.616.9-176.1-56.5177.5000112.2F5 E11 D12 G13 Y14 I30 V38 L49F5-L9 HydrophobicContact CB-CD1 4.33Å; F5-L9 HydrophobicContact CD1-CD1 4.27Å; F5-L9 WeakPolarHBondContact O-CA 3.37Å; F5-L9 VanDerWaalsContact O-CB 3.27Å; F5-L9 WeakPolarHBondContact O-CB 3.4Å; F5-L9 PolarHBondContact O-N 3.14Å; L9-E11 PolarHBondContact O-N 3.1Å; L9-D12 PolarHBondContact O-N 2.99Å; L9-G13 PolarHBondContact O-N 3.06Å; L9-Y14 HydrophobicContact CB-CD2 4.36Å; L9-Y14 HydrophobicContact CB-CG 4.41Å; L9-Y14 HydrophobicContact CD1-CD2 4.25Å; L9-Y14 WeakPolarHBondContact O-CB 3.38Å; L9-Y14 PolarHBondContact O-N 3.31Å; L9-I30 HydrophobicContact CD1-CD1 4.14Å; L9-I30 HydrophobicContact CD1-CG2 3.86Å; L9-V38 HydrophobicContact CD1-CG1 4.02Å; L9-V38 HydrophobicContact CD1-CG2 4.41Å; L9-V38 HydrophobicContact CD2-CG1 4.33Å; L9-V38 HydrophobicContact CD2-CG2 4.26Å; L9-L49 HydrophobicContact CD1-CD1 4.45Å; L9-L49 HydrophobicContact CD2-CD1 4.23Å
10A88.3Confident90.5Very high10 Ų1056 Ų568%0.08327%0.271CS..THydrogen-bonded Turntrans-54.9-43175.600000110.5M6 D12 G13 Y87M6-A10 WeakPolarHBondContact O-CB 3.49Å; A10-D12 VanDerWaalsContact C-N 3.28Å; A10-D12 PolarHBondContact O-N 3.13Å; A10-G13 PolarHBondContact O-N 3.41Å; A10-Y87 WeakPolarHBondContact O-CE2 3.33Å; A10-Y87 PolarHBondContact O-OH 3.09Å
11E87.8Confident90.5Very high126 Ų12662 Ų6259%0.58930%0.295SS*.THydrogen-bonded Turntrans-68.1-26179.2-71.1-173.9178.800112.8L9 G13 R34 Y87L9-E11 PolarHBondContact O-N 3.1Å; E11-G13 VanDerWaalsContact C-N 3.29Å; E11-G13 PolarHBondContact O-N 3.01Å; E11-R34 PolarHBondContact O-NH2 2.76Å; E11-Y87 VanDerWaalsContact CA-OH 3.24Å; E11-Y87 WeakPolarHBondContact CA-OH 3.08Å; E11-Y87 HydrophobicContact CG-CE1 3.8Å; E11-Y87 WeakPolarHBondContact CG-OH 3.35Å; E11-Y87 PolarHBondContact N-OH 3.29Å
12D90.9Very high90.8Very high6 Ų661.4 Ų61.43%0.03230%0.296CS..THydrogen-bonded Turntrans-91.33.9-176.9-59.1-52000113.1L9 A10 T33 R34 N37 V38 R45L9-D12 PolarHBondContact O-N 2.99Å; A10-D12 VanDerWaalsContact C-N 3.28Å; A10-D12 PolarHBondContact O-N 3.13Å; D12-T33 PolarHBondContact O-OG1 2.93Å; D12-R34 PolarHBondContact O-N 2.97Å; D12-N37 HydrophobicContact CB-CB 4.32Å; D12-N37 WeakPolarHBondContact OD1-CB 3.44Å; D12-N37 PolarHBondContact OD1-ND2 2.99Å; D12-N37 VanDerWaalsContact OD1-ND2 3.13Å; D12-V38 HydrophobicContact CB-CG2 3.83Å; D12-R45 IonicContact OD1-NH1 2.71Å; D12-R45 IonicContact OD2-CZ 3.6Å; D12-R45 VanDerWaalsContact OD2-CZ 3.28Å; D12-R45 IonicContact OD2-NH1 3.83Å; D12-R45 PolarHBondContact OD2-NH1 3.12Å; D12-R45 IonicContact OD2-NH2 2.83Å; D12-R45 PolarHBondContact OD2-NH2 3.4Å
13G88.1Confident90.8Very high4 Ų463.4 Ų63.44%0.04131%0.313CS..THydrogen-bonded Turntrans68.749.9-178.700000111.3L9 A10 E11 T33L9-G13 PolarHBondContact O-N 3.06Å; A10-G13 PolarHBondContact O-N 3.41Å; E11-G13 VanDerWaalsContact C-N 3.29Å; E11-G13 PolarHBondContact O-N 3.01Å; G13-T33 WeakPolarHBondContact CA-OG1 3.42Å; G13-T33 PolarHBondContact O-N 2.84Å; G13-T33 PolarHBondContact O-OG1 3.04Å
14Y92.8Very high90.6Very high3 Ų362.8 Ų62.81%0.01233%0.329CS..EExtended strand (participates in β ladder)trans-53.5133.3167.6177.4-99.9000111.1N2 F5 M6 L9 G16 L17 I30 I79N2-Y14 VanDerWaalsContact OD1-CE1 3.3Å; N2-Y14 WeakPolarHBondContact OD1-CE1 3.38Å; N2-Y14 PolarHBondContact OD1-OH 3.29Å; F5-Y14 HydrophobicContact CB-CD2 4.05Å; F5-Y14 HydrophobicContact CB-CE2 3.54Å; F5-Y14 HydrophobicContact CG-CE2 4.44Å; M6-Y14 HydrophobicContact CB-CD1 4.07Å; M6-Y14 HydrophobicContact CB-CE1 3.97Å; M6-Y14 HydrophobicContact CG-CD1 4.47Å; L9-Y14 HydrophobicContact CB-CD2 4.36Å; L9-Y14 HydrophobicContact CB-CG 4.41Å; L9-Y14 HydrophobicContact CD1-CD2 4.25Å; L9-Y14 WeakPolarHBondContact O-CB 3.38Å; L9-Y14 PolarHBondContact O-N 3.31Å; Y14-G16 WeakPolarHBondContact CE2-O 3.35Å; Y14-L17 WeakPolarHBondContact OH-CB 3.29Å; Y14-I30 HydrophobicContact CD2-CG2 3.96Å; Y14-I30 HydrophobicContact CE2-CG2 4.07Å; Y14-I79 VanDerWaalsContact O-CG2 3.22Å; Y14-I79 WeakPolarHBondContact O-CG2 3.4Å
15S90Very high90.5Very high18 Ų1866.4 Ų66.413%0.12634%0.34CS..EExtended strand (participates in β ladder)trans-113.1-37.9179.4176.30000111.6L31 C77 I79S15-L31 WeakPolarHBondContact CB-O 3.41Å; S15-L31 PolarHBondContact N-O 2.9Å; S15-C77 PolarHBondContact OG-SG 3.34Å; S15-I79 VanDerWaalsContact O-CD1 3.28Å; S15-I79 WeakPolarHBondContact O-CD1 3.22Å
16G92.1Very high90.5Very high13 Ų1368.3 Ų68.313%0.13435%0.349CS..EExtended strand (participates in β ladder)trans175.8-176.5-174.400000112.8Y14 L31Y14-G16 WeakPolarHBondContact CE2-O 3.35Å; G16-L31 PolarHBondContact N-O 3.18Å; G16-L31 PolarHBondContact O-N 3.32Å
17L93.2Very high90.6Very high40 Ų4067.1 Ų67.121%0.20934%0.343CS..EExtended strand (participates in β ladder)trans-140.1130.8-177.5-172.587.6000108.4M1 F5 Y14 V19 I28 I29 I30M1-L17 HydrophobicContact CB-CD2 4.01Å; F5-L17 HydrophobicContact CD2-CD1 3.58Å; F5-L17 HydrophobicContact CD2-CD2 4.35Å; F5-L17 HydrophobicContact CD2-CG 4.5Å; F5-L17 HydrophobicContact CE2-CD1 3.54Å; F5-L17 HydrophobicContact CE2-CD2 4.27Å; Y14-L17 WeakPolarHBondContact OH-CB 3.29Å; L17-V19 HydrophobicContact CD2-CG2 3.8Å; L17-V19 HydrophobicContact CG-CG2 4.37Å; L17-I28 HydrophobicContact CD1-CG2 3.23Å; L17-I28 HydrophobicContact CD2-CG2 4.08Å; L17-I28 HydrophobicContact CG-CG2 3.82Å; L17-I29 CarbonylContact C-O 3.59Å; L17-I29 WeakPolarHBondContact CA-O 3.41Å; L17-I30 HydrophobicContact CD1-CG1 3.81Å
18E93.1Very high90.8Very high87 Ų8758.2 Ų58.241%0.40731%0.309SS..EExtended strand (participates in β ladder)trans-107.6139.6165.2-67.4-173.6-179.300109.6R20 I29 L31E18-R20 IonicContact OE2-NH2 3.28Å; E18-I29 HydrophobicContact CB-CB 4.28Å; E18-I29 PolarHBondContact N-O 3.34Å; E18-I29 PolarHBondContact O-N 3Å; E18-L31 HydrophobicContact CG-CD1 4.34Å
19V93.5Very high91Very high66 Ų6653.8 Ų53.840%0.429%0.289SS..EExtended strand (participates in β ladder)trans-117.7115.6177.91710000107.5L17 M26L17-V19 HydrophobicContact CD2-CG2 3.8Å; L17-V19 HydrophobicContact CG-CG2 4.37Å; V19-M26 HydrophobicContact CB-CE 4.3Å; V19-M26 HydrophobicContact CG1-CE 3.25Å; V19-M26 HydrophobicContact CG1-CG 4.17Å; V19-M26 HydrophobicContact CG1-SD 4.47Å; V19-M26 HydrophobicContact CG2-CE 4.06Å
20R93.4Very high91.1Very high124 Ų12453.8 Ų53.847%0.46829%0.289SS..EExtended strand (participates in β ladder)trans-106.6123.3173.9-64.1-175.9-175.8-179.25.3108.7E18 E27 I29E18-R20 IonicContact OE2-NH2 3.28Å; R20-E27 HydrophobicContact CB-CB 4.22Å; R20-E27 PolarHBondContact N-O 3.35Å; R20-E27 PolarHBondContact O-N 3.07Å; R20-I29 HydrophobicContact CG-CD1 4.4Å
21K90.8Very high91.4Very high182 Ų18255 Ų5579%0.79129%0.294SS*.EExtended strand (participates in β ladder)trans-93.9114.1175.4-67-178.2179.7-179.20108.2
22V89.2Confident91.6Very high51 Ų5149 Ų4931%0.30927%0.266SS..EExtended strand (participates in β ladder)trans-104.7146.3171.2179.90000107.3G24 R25 E27V22-G24 PolarHBondContact O-N 3.28Å; V22-G24 VanDerWaalsContact O-N 3.09Å; V22-R25 CarbonylContact C-O 3.4Å; V22-R25 WeakPolarHBondContact CA-O 3.49Å; V22-R25 HydrophobicContact CB-CG 3.81Å; V22-R25 WeakPolarHBondContact CB-O 3.36Å; V22-R25 HydrophobicContact CG1-CG 4.04Å; V22-R25 PolarHBondContact N-O 2.88Å; V22-R25 CarbonylContact O-C 3.57Å; V22-R25 PolarHBondContact O-N 3.31Å; V22-R25 VanDerWaalsContact O-N 3.13Å; V22-E27 HydrophobicContact CG2-CG 4.28Å
23P88.3Confident91.7Very high129 Ų12950.3 Ų50.384%0.83827%0.274SS*.THydrogen-bonded Turntrans-54121.8173.1-25.835.4000110.5R25P23-R25 VanDerWaalsContact C-N 3.35Å; P23-R25 PolarHBondContact O-N 2.94Å
24G84.1Confident91.9Very high81 Ų8156.1 Ų56.184%0.83530%0.295SS*.THydrogen-bonded Turntrans86.3-17.8-179.800000116.4V22V22-G24 PolarHBondContact O-N 3.28Å; V22-G24 VanDerWaalsContact O-N 3.09Å
25R89.1Confident91.9Very high115 Ų11557.5 Ų57.543%0.43430%0.304SS..EExtended strand (participates in β ladder)trans-146.8145.218068.1-177-174.3-152-2.4113.4V22 P23 E27V22-R25 CarbonylContact C-O 3.4Å; V22-R25 WeakPolarHBondContact CA-O 3.49Å; V22-R25 HydrophobicContact CB-CG 3.81Å; V22-R25 WeakPolarHBondContact CB-O 3.36Å; V22-R25 HydrophobicContact CG1-CG 4.04Å; V22-R25 PolarHBondContact N-O 2.88Å; V22-R25 CarbonylContact O-C 3.57Å; V22-R25 PolarHBondContact O-N 3.31Å; V22-R25 VanDerWaalsContact O-N 3.13Å; P23-R25 VanDerWaalsContact C-N 3.35Å; P23-R25 PolarHBondContact O-N 2.94Å; R25-E27 IonicContact CZ-OE1 2.78Å; R25-E27 IonicContact NE-OE1 3.64Å; R25-E27 PolarHBondContact NE-OE1 2.96Å; R25-E27 IonicContact NH2-OE1 3.89Å; R25-E27 PolarHBondContact NH2-OE1 2.86Å
26M91.2Very high92.1Very high42 Ų4264.2 Ų64.221%0.20733%0.333CS..EExtended strand (participates in β ladder)trans-105.9114.3175.8-177.7-178175.800108.9M1 V19 I28 S63 V64 E65M1-M26 HydrophobicContact CE-CE 4.04Å; M1-M26 HydrophobicContact SD-CE 4.16Å; V19-M26 HydrophobicContact CB-CE 4.3Å; V19-M26 HydrophobicContact CG1-CE 3.25Å; V19-M26 HydrophobicContact CG1-CG 4.17Å; V19-M26 HydrophobicContact CG1-SD 4.47Å; V19-M26 HydrophobicContact CG2-CE 4.06Å; M26-I28 HydrophobicContact CE-CD1 3.93Å; M26-I28 HydrophobicContact CE-CG1 4.03Å; M26-I28 HydrophobicContact CG-CG1 4.14Å; M26-I28 HydrophobicContact SD-CD1 4.36Å; M26-I28 HydrophobicContact SD-CG1 4.49Å; M26-S63 WeakPolarHBondContact CB-O 3.38Å; M26-S63 PolarHBondContact N-O 3.41Å; M26-V64 HydrophobicContact CB-CG2 4.35Å; M26-V64 WeakPolarHBondContact O-CA 3.4Å; M26-E65 PolarHBondContact O-N 3.34Å
27E93.4Very high92.2Very high29 Ų2967.1 Ų67.114%0.13635%0.346CS..EExtended strand (participates in β ladder)trans-92.8122177.3-63.3173.4-171.600108.4R20 V22 R25 Y67R20-E27 HydrophobicContact CB-CB 4.22Å; R20-E27 PolarHBondContact N-O 3.35Å; R20-E27 PolarHBondContact O-N 3.07Å; V22-E27 HydrophobicContact CG2-CG 4.28Å; R25-E27 IonicContact CZ-OE1 2.78Å; R25-E27 IonicContact NE-OE1 3.64Å; R25-E27 PolarHBondContact NE-OE1 2.96Å; R25-E27 IonicContact NH2-OE1 3.89Å; R25-E27 PolarHBondContact NH2-OE1 2.86Å; E27-Y67 HydrophobicContact CB-CD2 4.45Å; E27-Y67 HydrophobicContact CB-CE2 4.27Å; E27-Y67 HydrophobicContact CG-CE2 4.09Å
28I94.3Very high92.1Very high0 Ų065.2 Ų65.20%034%0.336CS..EExtended strand (participates in β ladder)trans-113.3111.7-179.5-60.3-178.8000108.1M1 F5 L17 M26 V53 V64 E65 L66 Y67M1-I28 HydrophobicContact CE-CD1 4.28Å; M1-I28 HydrophobicContact SD-CD1 3.82Å; F5-I28 HydrophobicContact CE2-CG2 4.46Å; L17-I28 HydrophobicContact CD1-CG2 3.23Å; L17-I28 HydrophobicContact CD2-CG2 4.08Å; L17-I28 HydrophobicContact CG-CG2 3.82Å; M26-I28 HydrophobicContact CE-CD1 3.93Å; M26-I28 HydrophobicContact CE-CG1 4.03Å; M26-I28 HydrophobicContact CG-CG1 4.14Å; M26-I28 HydrophobicContact SD-CD1 4.36Å; M26-I28 HydrophobicContact SD-CG1 4.49Å; I28-V53 HydrophobicContact CD1-CG1 4.35Å; I28-V64 HydrophobicContact CD1-CG1 3.48Å; I28-V64 VanDerWaalsContact CD1-CG1 3.48Å; I28-V64 HydrophobicContact CG1-CG1 3.98Å; I28-E65 PolarHBondContact N-O 3.06Å; I28-L66 HydrophobicContact CB-CD2 3.53Å; I28-L66 HydrophobicContact CB-CG 4.45Å; I28-L66 HydrophobicContact CD1-CD2 4.33Å; I28-L66 HydrophobicContact CG1-CD2 4.5Å; I28-L66 HydrophobicContact CG2-CD2 3.41Å; I28-L66 VanDerWaalsContact CG2-CD2 3.41Å; I28-L66 CarbonylContact O-C 3.52Å; I28-L66 WeakPolarHBondContact O-CA 3.16Å; I28-Y67 PolarHBondContact O-N 3.18Å
29I94.5Very high92.2Very high4 Ų464.4 Ų64.42%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-99.6111.7-178.1-54.3173.1000108.6L17 E18 R20 L31 E69L17-I29 CarbonylContact C-O 3.59Å; L17-I29 WeakPolarHBondContact CA-O 3.41Å; E18-I29 HydrophobicContact CB-CB 4.28Å; E18-I29 PolarHBondContact N-O 3.34Å; E18-I29 PolarHBondContact O-N 3Å; R20-I29 HydrophobicContact CG-CD1 4.4Å; I29-L31 HydrophobicContact CG2-CD2 4.45Å; I29-E69 HydrophobicContact CG2-CB 3.85Å; I29-E69 HydrophobicContact CG2-CG 3.68Å
30I94.9Very high92.1Very high0 Ų062.6 Ų62.60%033%0.328CS..EExtended strand (participates in β ladder)trans-85.1120.1174.9-60.1174.3000108.5F5 L9 Y14 L17 V38 L66 Y67 A68 E69F5-I30 HydrophobicContact CD1-CD1 4.37Å; F5-I30 HydrophobicContact CE1-CD1 4.18Å; F5-I30 HydrophobicContact CZ-CD1 4.37Å; L9-I30 HydrophobicContact CD1-CD1 4.14Å; L9-I30 HydrophobicContact CD1-CG2 3.86Å; Y14-I30 HydrophobicContact CD2-CG2 3.96Å; Y14-I30 HydrophobicContact CE2-CG2 4.07Å; L17-I30 HydrophobicContact CD1-CG1 3.81Å; I30-V38 HydrophobicContact CD1-CG1 4.4Å; I30-V38 HydrophobicContact CG2-CG1 4.43Å; I30-L66 HydrophobicContact CD1-CD2 4Å; I30-L66 HydrophobicContact CG1-CD2 4.23Å; I30-Y67 PolarHBondContact N-O 2.87Å; I30-A68 WeakPolarHBondContact O-CA 3.36Å; I30-E69 PolarHBondContact O-N 2.93Å
31L94Very high92.2Very high35 Ų3564.2 Ų64.218%0.18334%0.341CS..EExtended strand (participates in β ladder)trans-91.2113.8173.6-61.2172.4000109.3S15 G16 E18 I29 E69 V71S15-L31 WeakPolarHBondContact CB-O 3.41Å; S15-L31 PolarHBondContact N-O 2.9Å; G16-L31 PolarHBondContact N-O 3.18Å; G16-L31 PolarHBondContact O-N 3.32Å; E18-L31 HydrophobicContact CG-CD1 4.34Å; I29-L31 HydrophobicContact CG2-CD2 4.45Å; L31-E69 HydrophobicContact CD2-CB 3.97Å; L31-V71 HydrophobicContact CB-CG2 4.16Å
32A93.8Very high92.2Very high0 Ų064.9 Ų64.90%034%0.344CS..EExtended strand (participates in β ladder)trans-137.1156.2179.900000112.4V38 E69 K70 V71A32-V38 HydrophobicContact CB-CG2 3.75Å; A32-E69 PolarHBondContact N-O 3Å; A32-K70 WeakPolarHBondContact O-CA 3.41Å; A32-V71 PolarHBondContact O-N 2.83Å; A32-V71 VanDerWaalsContact O-N 3.14Å
33T92.4Very high92.4Very high33 Ų3363 Ų6320%0.20234%0.336CS..SBendtrans-78.8-36.4175.261.60000112.8D12 G13 R74 A80D12-T33 PolarHBondContact O-OG1 2.93Å; G13-T33 WeakPolarHBondContact CA-OG1 3.42Å; G13-T33 PolarHBondContact O-N 2.84Å; G13-T33 PolarHBondContact O-OG1 3.04Å; T33-R74 HydrophobicContact CG2-CB 3.81Å; T33-A80 HydrophobicContact CG2-CB 3.98Å
34R91.9Very high92.7Very high126 Ų12664.2 Ų64.248%0.47532%0.323SS..  trans-111.479.1178.6-68.8-175.8-83.1-122.2-5.7111.2E11 D12 Q36 N37 V38E11-R34 PolarHBondContact O-NH2 2.76Å; D12-R34 PolarHBondContact O-N 2.97Å; R34-Q36 VanDerWaalsContact C-N 3.3Å; R34-Q36 PolarHBondContact O-N 2.8Å; R34-N37 HydrophobicContact CB-CB 4.49Å; R34-N37 PolarHBondContact O-N 2.8Å; R34-V38 PolarHBondContact O-N 3.19Å
35T93.4Very high93.2Very high33 Ų3363.2 Ų63.220%0.20229%0.294CS..Hα-helixtrans-60.7-35.3-17752.40000113.6N37 V38 L39 K70T35-N37 VanDerWaalsContact C-N 3.33Å; T35-N37 PolarHBondContact O-N 2.92Å; T35-V38 PolarHBondContact O-N 2.6Å; T35-L39 WeakPolarHBondContact O-CD1 3.39Å; T35-L39 PolarHBondContact O-N 3.22Å; T35-K70 HydrophobicContact CG2-CB 3.89Å
36Q93.7Very high93.4Very high158 Ų15858.7 Ų58.774%0.73828%0.279SS*.Hα-helixtrans-59.1-41.5179.1-69.8-178.6-12.800112.7R34 L39 G40R34-Q36 VanDerWaalsContact C-N 3.3Å; R34-Q36 PolarHBondContact O-N 2.8Å; Q36-L39 PolarHBondContact O-N 2.89Å; Q36-G40 PolarHBondContact O-N 3.41Å
37N93.3Very high93.5Very high75 Ų7564.2 Ų64.240%0.40130%0.297SS..Hα-helixtrans-72.1-30.8179.2-66.97.6000112.9D12 R34 T35 G40 R45D12-N37 HydrophobicContact CB-CB 4.32Å; D12-N37 WeakPolarHBondContact OD1-CB 3.44Å; D12-N37 PolarHBondContact OD1-ND2 2.99Å; D12-N37 VanDerWaalsContact OD1-ND2 3.13Å; R34-N37 HydrophobicContact CB-CB 4.49Å; R34-N37 PolarHBondContact O-N 2.8Å; T35-N37 VanDerWaalsContact C-N 3.33Å; T35-N37 PolarHBondContact O-N 2.92Å; N37-G40 PolarHBondContact O-N 3.37Å; N37-R45 VanDerWaalsContact O-CD 3.29Å; N37-R45 WeakPolarHBondContact O-CD 3.38Å; N37-R45 PolarHBondContact O-NH1 3.44Å; N37-R45 VanDerWaalsContact O-NH1 3.14Å
38V93Very high93.6Very high0 Ų067 Ų670%031%0.31CS..Hα-helixtrans-68.7-39.9175.4-1800000110.4L9 D12 I30 A32 R34 T35 A68L9-V38 HydrophobicContact CD1-CG1 4.02Å; L9-V38 HydrophobicContact CD1-CG2 4.41Å; L9-V38 HydrophobicContact CD2-CG1 4.33Å; L9-V38 HydrophobicContact CD2-CG2 4.26Å; D12-V38 HydrophobicContact CB-CG2 3.83Å; I30-V38 HydrophobicContact CD1-CG1 4.4Å; I30-V38 HydrophobicContact CG2-CG1 4.43Å; A32-V38 HydrophobicContact CB-CG2 3.75Å; R34-V38 PolarHBondContact O-N 3.19Å; T35-V38 PolarHBondContact O-N 2.6Å; V38-A68 HydrophobicContact CG1-CB 4.24Å
39L93.6Very high93.5Very high69 Ų6967.4 Ų67.436%0.36131%0.312SS..Hα-helixtrans-65.9-42.8173.7-74.5153.9000111.5T35 Q36 G43 R45 I46 A68T35-L39 WeakPolarHBondContact O-CD1 3.39Å; T35-L39 PolarHBondContact O-N 3.22Å; Q36-L39 PolarHBondContact O-N 2.89Å; L39-G43 CarbonylContact O-C 3.5Å; L39-G43 VanDerWaalsContact O-C 3.26Å; L39-G43 WeakPolarHBondContact O-CA 3.43Å; L39-R45 PolarHBondContact O-N 2.82Å; L39-I46 HydrophobicContact CD2-CD1 4.13Å; L39-I46 HydrophobicContact CD2-CG2 4.2Å; L39-I46 PolarHBondContact O-N 3.49Å; L39-A68 HydrophobicContact CG-CB 4.47Å
40G92.7Very high93.4Very high28 Ų2868.5 Ų68.529%0.28932%0.319SS..  trans71.5-175.2-175.400000113.2Q36 N37 K42 G43Q36-G40 PolarHBondContact O-N 3.41Å; N37-G40 PolarHBondContact O-N 3.37Å; G40-K42 PolarHBondContact O-N 2.85Å; G40-G43 PolarHBondContact O-N 3.25Å
41E93.8Very high93.3Very high158 Ų15871.3 Ų71.374%0.73834%0.339SS*.G310 helixtrans-60.1118.5-179.4-66.2-177.6171.800111.4G43 R44E41-G43 PolarHBondContact O-N 3.48Å; E41-R44 WeakPolarHBondContact O-CB 3.3Å; E41-R44 PolarHBondContact O-N 2.82Å
42K92.5Very high93.2Very high196 Ų19674.1 Ų74.185%0.85235%0.354SS*.G310 helixtrans50.530.9-179.1-59.4-178.6178.1178.90114G40 R44 R47G40-K42 PolarHBondContact O-N 2.85Å; K42-R44 VanDerWaalsContact C-N 3.31Å; K42-R44 PolarHBondContact O-N 3.29Å; K42-R47 PolarHBondContact O-NH1 2.79Å; K42-R47 PolarHBondContact O-NH2 2.84Å
43G92.4Very high93.1Very high13 Ų1374.1 Ų74.113%0.13435%0.354CS..G310 helixtrans74.516.2-177.700000114.4L39 G40 E41 I46 R47L39-G43 CarbonylContact O-C 3.5Å; L39-G43 VanDerWaalsContact O-C 3.26Å; L39-G43 WeakPolarHBondContact O-CA 3.43Å; G40-G43 PolarHBondContact O-N 3.25Å; E41-G43 PolarHBondContact O-N 3.48Å; G43-I46 WeakPolarHBondContact O-CG2 3.24Å; G43-R47 WeakPolarHBondContact O-CG 3.48Å; G43-R47 PolarHBondContact O-N 3.25Å
44R95.3Very high93Very high154 Ų15473.5 Ų73.558%0.58135%0.348SS*.Hα-helixtrans-59.6-47.9-179.7177.9178.6173.9174.13.3111.9E41 K42 I46 R47 E48E41-R44 WeakPolarHBondContact O-CB 3.3Å; E41-R44 PolarHBondContact O-N 2.82Å; K42-R44 VanDerWaalsContact C-N 3.31Å; K42-R44 PolarHBondContact O-N 3.29Å; R44-I46 PolarHBondContact O-N 3.24Å; R44-R47 PolarHBondContact O-N 3.19Å; R44-E48 HydrophobicContact CG-CG 4.49Å; R44-E48 WeakPolarHBondContact CG-OE1 3.44Å; R44-E48 IonicContact CZ-OE1 2.69Å; R44-E48 IonicContact NE-OE1 3.74Å; R44-E48 PolarHBondContact NE-OE1 3.28Å; R44-E48 IonicContact NH2-OE1 3.68Å; R44-E48 WeakPolarHBondContact O-CG 3.37Å; R44-E48 PolarHBondContact O-N 2.85Å
45R94.1Very high93Very high60 Ų6075.5 Ų75.523%0.22636%0.361CS..Hα-helixtrans-66.5-39.8-174.6-166.2175.8-169.6-171.1-3.9111.8E8 D12 N37 L39 R47 E48 L49E8-R45 PolarHBondContact O-NH2 3.5Å; D12-R45 IonicContact OD1-NH1 2.71Å; D12-R45 IonicContact OD2-CZ 3.6Å; D12-R45 VanDerWaalsContact OD2-CZ 3.28Å; D12-R45 IonicContact OD2-NH1 3.83Å; D12-R45 PolarHBondContact OD2-NH1 3.12Å; D12-R45 IonicContact OD2-NH2 2.83Å; D12-R45 PolarHBondContact OD2-NH2 3.4Å; N37-R45 VanDerWaalsContact O-CD 3.29Å; N37-R45 WeakPolarHBondContact O-CD 3.38Å; N37-R45 PolarHBondContact O-NH1 3.44Å; N37-R45 VanDerWaalsContact O-NH1 3.14Å; L39-R45 PolarHBondContact O-N 2.82Å; R45-R47 PolarHBondContact O-N 3.25Å; R45-E48 PolarHBondContact O-N 3.34Å; R45-L49 VanDerWaalsContact O-CG 3.31Å; R45-L49 WeakPolarHBondContact O-CG 3.31Å; R45-L49 PolarHBondContact O-N 3.38Å
46I94.1Very high92.8Very high20 Ų2081.8 Ų81.810%0.10338%0.38CS..Hα-helixtrans-65.1-39.3176.1-163.5163.9000111.8L39 G43 R44 E48 L49 T50 L66L39-I46 HydrophobicContact CD2-CD1 4.13Å; L39-I46 HydrophobicContact CD2-CG2 4.2Å; L39-I46 PolarHBondContact O-N 3.49Å; G43-I46 WeakPolarHBondContact O-CG2 3.24Å; R44-I46 PolarHBondContact O-N 3.24Å; I46-E48 PolarHBondContact O-N 3.25Å; I46-L49 WeakPolarHBondContact O-CB 3.27Å; I46-L49 PolarHBondContact O-N 3.46Å; I46-T50 PolarHBondContact O-N 3.01Å; I46-T50 PolarHBondContact O-OG1 3.04Å; I46-L66 HydrophobicContact CD1-CB 4.19Å; I46-L66 WeakPolarHBondContact CD1-O 3.5Å; I46-L66 HydrophobicContact CG1-CB 3.98Å
47R93.5Very high92.6Very high157 Ų15778.2 Ų78.259%0.59236%0.363SS*.Hα-helixtrans-64.5-38.5174.7-67.9-176.9-156.1111.610.2112.8K42 G43 R44 R45 T50 S51K42-R47 PolarHBondContact O-NH1 2.79Å; K42-R47 PolarHBondContact O-NH2 2.84Å; G43-R47 WeakPolarHBondContact O-CG 3.48Å; G43-R47 PolarHBondContact O-N 3.25Å; R44-R47 PolarHBondContact O-N 3.19Å; R45-R47 PolarHBondContact O-N 3.25Å; R47-T50 PolarHBondContact O-N 3.18Å; R47-S51 WeakPolarHBondContact O-CB 3.39Å; R47-S51 PolarHBondContact O-N 3.18Å; R47-S51 PolarHBondContact O-OG 2.86Å
48E93.5Very high92.4Very high89 Ų8981.7 Ų81.742%0.41638%0.381SS..Hα-helixtrans-62.8-44.4174-72.7170.2-179.500110.7R44 R45 I46 S51 L52R44-E48 HydrophobicContact CG-CG 4.49Å; R44-E48 WeakPolarHBondContact CG-OE1 3.44Å; R44-E48 IonicContact CZ-OE1 2.69Å; R44-E48 IonicContact NE-OE1 3.74Å; R44-E48 PolarHBondContact NE-OE1 3.28Å; R44-E48 IonicContact NH2-OE1 3.68Å; R44-E48 WeakPolarHBondContact O-CG 3.37Å; R44-E48 PolarHBondContact O-N 2.85Å; R45-E48 PolarHBondContact O-N 3.34Å; I46-E48 PolarHBondContact O-N 3.25Å; E48-S51 PolarHBondContact O-N 2.81Å; E48-L52 WeakPolarHBondContact O-CG 3.42Å; E48-L52 PolarHBondContact O-N 3.31Å
49L93.6Very high92.1Very high7 Ų784.6 Ų84.64%0.03740%0.396CS..Hα-helixtrans-62.2-41.4174-69.1171.6000112F5 E8 L9 R45 I46 L52 V53 L66F5-L49 HydrophobicContact CE1-CD2 4.34Å; E8-L49 HydrophobicContact CG-CD2 4.08Å; L9-L49 HydrophobicContact CD1-CD1 4.45Å; L9-L49 HydrophobicContact CD2-CD1 4.23Å; R45-L49 VanDerWaalsContact O-CG 3.31Å; R45-L49 WeakPolarHBondContact O-CG 3.31Å; R45-L49 PolarHBondContact O-N 3.38Å; I46-L49 WeakPolarHBondContact O-CB 3.27Å; I46-L49 PolarHBondContact O-N 3.46Å; L49-L52 HydrophobicContact CD2-CD1 4.48Å; L49-L52 PolarHBondContact O-N 2.89Å; L49-V53 WeakPolarHBondContact O-CG2 3.33Å; L49-V53 PolarHBondContact O-N 2.78Å; L49-L66 HydrophobicContact CB-CD1 3.99Å
50T93Very high91.8Very high28 Ų2884.8 Ų84.817%0.17241%0.408CS..Hα-helixtrans-59.8-49.4176-43.30000110.1I46 R47 L52 V53 H54 L66I46-T50 PolarHBondContact O-N 3.01Å; I46-T50 PolarHBondContact O-OG1 3.04Å; R47-T50 PolarHBondContact O-N 3.18Å; T50-L52 VanDerWaalsContact C-N 3.29Å; T50-L52 PolarHBondContact O-N 2.89Å; T50-V53 PolarHBondContact O-N 2.87Å; T50-H54 WeakPolarHBondContact CG2-NE2 3.37Å; T50-H54 PolarHBondContact O-CD2 2.82Å; T50-H54 PolarHBondContact O-N 2.87Å; T50-L66 VanDerWaalsContact CA-CD1 3.45Å; T50-L66 HydrophobicContact CG2-CD1 4.36Å
51S91.8Very high91.2Very high59 Ų5991.4 Ų91.441%0.41343%0.431SS..Hα-helixtrans-59-39.3178-56.40000112.5R47 E48 H54 K55R47-S51 WeakPolarHBondContact O-CB 3.39Å; R47-S51 PolarHBondContact O-N 3.18Å; R47-S51 PolarHBondContact O-OG 2.86Å; E48-S51 PolarHBondContact O-N 2.81Å; S51-H54 PolarHBondContact O-N 2.84Å; S51-K55 WeakPolarHBondContact O-CB 3.29Å; S51-K55 WeakPolarHBondContact O-CG 3.14Å; S51-K55 PolarHBondContact O-N 3.1Å
52L92.1Very high90.7Very high94 Ų9491 Ų9149%0.49244%0.435SS..Hα-helixtrans-65.1-39.5175.7-76.4171.4000112.2E48 L49 T50 R56E48-L52 WeakPolarHBondContact O-CG 3.42Å; E48-L52 PolarHBondContact O-N 3.31Å; L49-L52 HydrophobicContact CD2-CD1 4.48Å; L49-L52 PolarHBondContact O-N 2.89Å; T50-L52 VanDerWaalsContact C-N 3.29Å; T50-L52 PolarHBondContact O-N 2.89Å; L52-R56 WeakPolarHBondContact O-CB 3.36Å; L52-R56 PolarHBondContact O-N 3.2Å
53V91.9Very high90.5Very high0 Ų083 Ų830%040%0.403CS..Hα-helixtrans-66.2-45.6177174.80000110.4M1 F5 I28 L49 T50 K55 R56 F57 V64 L66M1-V53 HydrophobicContact CE-CG1 4.15Å; F5-V53 HydrophobicContact CE1-CG2 4.37Å; F5-V53 HydrophobicContact CZ-CG2 3.8Å; I28-V53 HydrophobicContact CD1-CG1 4.35Å; L49-V53 WeakPolarHBondContact O-CG2 3.33Å; L49-V53 PolarHBondContact O-N 2.78Å; T50-V53 PolarHBondContact O-N 2.87Å; V53-K55 PolarHBondContact O-N 2.85Å; V53-R56 PolarHBondContact O-N 2.85Å; V53-F57 HydrophobicContact CG1-CD2 4.03Å; V53-F57 WeakPolarHBondContact O-CD2 3.3Å; V53-F57 PolarHBondContact O-N 3.43Å; V53-F57 VanDerWaalsContact O-N 3.09Å; V53-V64 HydrophobicContact CG1-CG1 4.3Å; V53-L66 HydrophobicContact CG2-CD1 4.4Å
54H90.2Very high90.5Very high20 Ų2082.7 Ų82.79%0.09340%0.398CS..Hα-helixtrans-56.3-53.5176.2-72.7-66.6000111.9T50 S51 R56 F57 N58 L59 A60 E61T50-H54 WeakPolarHBondContact CG2-NE2 3.37Å; T50-H54 PolarHBondContact O-CD2 2.82Å; T50-H54 PolarHBondContact O-N 2.87Å; S51-H54 PolarHBondContact O-N 2.84Å; H54-R56 PolarHBondContact O-N 3.02Å; H54-F57 PolarHBondContact O-N 3.44Å; H54-N58 WeakPolarHBondContact O-CA 3.49Å; H54-N58 PolarHBondContact O-N 3.06Å; H54-L59 PolarHBondContact ND1-O 3.19Å; H54-L59 PolarHBondContact O-N 3.31Å; H54-L59 VanDerWaalsContact O-N 3.15Å; H54-A60 PolarHBondContact CE1-O 3.49Å; H54-A60 PolarHBondContact ND1-O 2.9Å; H54-E61 PolarHBondContact CE1-O 2.82Å; H54-E61 PolarHBondContact NE2-O 2.78Å; H54-E61 VanDerWaalsContact NE2-O 3.12Å
55K91.4Very high90.3Very high168 Ų16878.9 Ų78.973%0.7339%0.387SS*.Hα-helixtrans-65.3-36.2-177.3-71179.6-179.2-178.40113S51 V53 N58S51-K55 WeakPolarHBondContact O-CB 3.29Å; S51-K55 WeakPolarHBondContact O-CG 3.14Å; S51-K55 PolarHBondContact O-N 3.1Å; V53-K55 PolarHBondContact O-N 2.85Å; K55-N58 PolarHBondContact O-OD1 3.41Å
56R90.3Very high90.3Very high164 Ų16476.7 Ų76.762%0.61938%0.38SS*.Hα-helixtrans-75.5-32.7-177.4-174.1171.2-175.51595.4113L52 V53 H54L52-R56 WeakPolarHBondContact O-CB 3.36Å; L52-R56 PolarHBondContact O-N 3.2Å; V53-R56 PolarHBondContact O-N 2.85Å; H54-R56 PolarHBondContact O-N 3.02Å
57F89.2Confident90.3Very high83 Ų8380.8 Ų80.836%0.36440%0.395SS..Hα-helixtrans-106.44.9-176.3-67.4-76.8000113.5M1 V53 H54 L59M1-F57 HydrophobicContact CE-CD1 4.42Å; M1-F57 HydrophobicContact CE-CD2 3.7Å; M1-F57 HydrophobicContact CE-CE1 4.42Å; M1-F57 HydrophobicContact CE-CE2 3.71Å; M1-F57 HydrophobicContact CE-CG 4.09Å; M1-F57 HydrophobicContact CE-CZ 4.09Å; M1-F57 HydrophobicContact CG-CD2 4.44Å; M1-F57 HydrophobicContact CG-CE2 3.52Å; M1-F57 HydrophobicContact CG-CZ 3.62Å; M1-F57 HydrophobicContact SD-CE2 4.47Å; V53-F57 HydrophobicContact CG1-CD2 4.03Å; V53-F57 WeakPolarHBondContact O-CD2 3.3Å; V53-F57 PolarHBondContact O-N 3.43Å; V53-F57 VanDerWaalsContact O-N 3.09Å; H54-F57 PolarHBondContact O-N 3.44Å; F57-L59 VanDerWaalsContact C-N 3.26Å; F57-L59 HydrophobicContact CB-CD1 3.76Å; F57-L59 HydrophobicContact CB-CG 3.77Å; F57-L59 PolarHBondContact O-N 3.43Å
58N89.6Confident90.3Very high149 Ų14974.6 Ų74.680%0.79738%0.377SS*.THydrogen-bonded Turntrans49.147.3-176-70.1-16.9000112.4H54 K55H54-N58 WeakPolarHBondContact O-CA 3.49Å; H54-N58 PolarHBondContact O-N 3.06Å; K55-N58 PolarHBondContact O-OD1 3.41Å
59L85.4Confident90.4Very high60 Ų6074.6 Ų74.631%0.31438%0.377SS..  trans-95.1144.1178.9-64.1172.9000109.8H54 F57 S63 V64H54-L59 PolarHBondContact ND1-O 3.19Å; H54-L59 PolarHBondContact O-N 3.31Å; H54-L59 VanDerWaalsContact O-N 3.15Å; F57-L59 VanDerWaalsContact C-N 3.26Å; F57-L59 HydrophobicContact CB-CD1 3.76Å; F57-L59 HydrophobicContact CB-CG 3.77Å; F57-L59 PolarHBondContact O-N 3.43Å; L59-S63 WeakPolarHBondContact CB-OG 3.28Å; L59-V64 HydrophobicContact CB-CG2 4.23Å; L59-V64 HydrophobicContact CD1-CG2 3.46Å; L59-V64 VanDerWaalsContact CD1-CG2 3.46Å; L59-V64 HydrophobicContact CG-CG2 4.42Å
60A86.8Confident90.4Very high73 Ų7381.7 Ų81.760%0.60341%0.408SS*.  trans-58.7146.6175.400000110.9H54 D62 S63H54-A60 PolarHBondContact CE1-O 3.49Å; H54-A60 PolarHBondContact ND1-O 2.9Å; A60-D62 PolarHBondContact O-N 2.96Å; A60-D62 VanDerWaalsContact O-N 3.14Å; A60-S63 PolarHBondContact N-OG 3.01Å; A60-S63 WeakPolarHBondContact O-CB 3.45Å; A60-S63 PolarHBondContact O-N 3.5Å; A60-S63 PolarHBondContact O-OG 2.91Å
61E80.4Confident90.2Very high167 Ų16781.4 Ų81.478%0.7841%0.406SS*.THydrogen-bonded Turntrans-59.6-28.6-169.7-66.8-174.8157.500113.9H54H54-E61 PolarHBondContact CE1-O 2.82Å; H54-E61 PolarHBondContact NE2-O 2.78Å; H54-E61 VanDerWaalsContact NE2-O 3.12Å
62D83.3Confident89.9Confident151 Ų15182.6 Ų82.681%0.80743%0.427SS*.THydrogen-bonded Turntrans-101.46.3178.6-63-36.7000113.8A60A60-D62 PolarHBondContact O-N 2.96Å; A60-D62 VanDerWaalsContact O-N 3.14Å
63S89.6Confident89.7Confident28 Ų2880.9 Ų80.920%0.19642%0.417CS..SBendtrans-83.7-12.3-175.966.30000114.2M26 L59 A60M26-S63 WeakPolarHBondContact CB-O 3.38Å; M26-S63 PolarHBondContact N-O 3.41Å; L59-S63 WeakPolarHBondContact CB-OG 3.28Å; A60-S63 PolarHBondContact N-OG 3.01Å; A60-S63 WeakPolarHBondContact O-CB 3.45Å; A60-S63 PolarHBondContact O-N 3.5Å; A60-S63 PolarHBondContact O-OG 2.91Å
64V91.3Very high89.6Confident5 Ų587.8 Ų87.83%0.0344%0.443CS..EExtended strand (participates in β ladder)trans-135.4128.1-174.8-175.40000111.3M26 I28 V53 L59M26-V64 HydrophobicContact CB-CG2 4.35Å; M26-V64 WeakPolarHBondContact O-CA 3.4Å; I28-V64 HydrophobicContact CD1-CG1 3.48Å; I28-V64 VanDerWaalsContact CD1-CG1 3.48Å; I28-V64 HydrophobicContact CG1-CG1 3.98Å; V53-V64 HydrophobicContact CG1-CG1 4.3Å; L59-V64 HydrophobicContact CB-CG2 4.23Å; L59-V64 HydrophobicContact CD1-CG2 3.46Å; L59-V64 VanDerWaalsContact CD1-CG2 3.46Å; L59-V64 HydrophobicContact CG-CG2 4.42Å
65E91.9Very high89.7Confident74 Ų7486.9 Ų86.935%0.34644%0.439SS..EExtended strand (participates in β ladder)trans-118132.5172.1-68.3-178.9149.100109.8M26 I28 Y67M26-E65 PolarHBondContact O-N 3.34Å; I28-E65 PolarHBondContact N-O 3.06Å; E65-Y67 HydrophobicContact CB-CE2 4.01Å; E65-Y67 PolarHBondContact OE2-OH 3.48Å
66L93.8Very high89.9Confident14 Ų1479.4 Ų79.47%0.07341%0.407CS..EExtended strand (participates in β ladder)trans-102.6128.9176.7-76.6166000110.3F5 I28 I30 I46 L49 T50 V53F5-L66 HydrophobicContact CZ-CD2 4.06Å; I28-L66 HydrophobicContact CB-CD2 3.53Å; I28-L66 HydrophobicContact CB-CG 4.45Å; I28-L66 HydrophobicContact CD1-CD2 4.33Å; I28-L66 HydrophobicContact CG1-CD2 4.5Å; I28-L66 HydrophobicContact CG2-CD2 3.41Å; I28-L66 VanDerWaalsContact CG2-CD2 3.41Å; I28-L66 CarbonylContact O-C 3.52Å; I28-L66 WeakPolarHBondContact O-CA 3.16Å; I30-L66 HydrophobicContact CD1-CD2 4Å; I30-L66 HydrophobicContact CG1-CD2 4.23Å; I46-L66 HydrophobicContact CD1-CB 4.19Å; I46-L66 WeakPolarHBondContact CD1-O 3.5Å; I46-L66 HydrophobicContact CG1-CB 3.98Å; L49-L66 HydrophobicContact CB-CD1 3.99Å; T50-L66 VanDerWaalsContact CA-CD1 3.45Å; T50-L66 HydrophobicContact CG2-CD1 4.36Å; V53-L66 HydrophobicContact CG2-CD1 4.4Å
67Y94Very high90Very high107 Ų10772.1 Ų72.142%0.4238%0.381SS..EExtended strand (participates in β ladder)trans-117.1150.7172-63.9-75.9000110.3E27 I28 I30 E65E27-Y67 HydrophobicContact CB-CD2 4.45Å; E27-Y67 HydrophobicContact CB-CE2 4.27Å; E27-Y67 HydrophobicContact CG-CE2 4.09Å; I28-Y67 PolarHBondContact O-N 3.18Å; I30-Y67 PolarHBondContact N-O 2.87Å; E65-Y67 HydrophobicContact CB-CE2 4.01Å; E65-Y67 PolarHBondContact OE2-OH 3.48Å
68A94.1Very high90.3Very high27 Ų2768.2 Ų68.222%0.22336%0.364CS..EExtended strand (participates in β ladder)trans-117.5116.717500000109.6I30 V38 L39I30-A68 WeakPolarHBondContact O-CA 3.36Å; V38-A68 HydrophobicContact CG1-CB 4.24Å; L39-A68 HydrophobicContact CG-CB 4.47Å
69E94.4Very high90.5Very high89 Ų8962.8 Ų62.842%0.41634%0.335SS..EExtended strand (participates in β ladder)trans-111.8146.7177.1-80.2-174.1-175.900111.1I29 I30 L31 A32I29-E69 HydrophobicContact CG2-CB 3.85Å; I29-E69 HydrophobicContact CG2-CG 3.68Å; I30-E69 PolarHBondContact O-N 2.93Å; L31-E69 HydrophobicContact CD2-CB 3.97Å; A32-E69 PolarHBondContact N-O 3Å
70K93.1Very high90.9Very high156 Ų15660 Ų6068%0.67832%0.321SS*.EExtended strand (participates in β ladder)trans-82.6129.7178.2-171.7179.2179.1-176.70109.5A32 T35 G72A32-K70 WeakPolarHBondContact O-CA 3.41Å; T35-K70 HydrophobicContact CG2-CB 3.89Å; K70-G72 PolarHBondContact O-N 3.04Å
71V90.3Very high91.3Very high21 Ų2156.9 Ų56.913%0.12729%0.294CS..  trans-60.4124.2171.2-178.80000109.3L31 A32L31-V71 HydrophobicContact CB-CG2 4.16Å; A32-V71 PolarHBondContact O-N 2.83Å; A32-V71 VanDerWaalsContact O-N 3.14Å
72G84.3Confident92Very high84 Ų8449 Ų4987%0.86626%0.256SS*.SBendtrans-52.9-65.4-178.600000112.5K70K70-G72 PolarHBondContact O-N 3.04Å
73Q87.9Confident92.5Very high59 Ų5942.1 Ų42.128%0.27622%0.22SC..  trans-117.389.3-179.8-160155-8.800111.5G75 L76 S109 L178Q73-G75 PolarHBondContact O-N 2.86Å; Q73-L76 HydrophobicContact CB-CD1 4.12Å; Q73-L76 HydrophobicContact CB-CG 4.41Å; Q73-L76 HydrophobicContact CG-CD1 3.95Å; Q73-L76 HydrophobicContact CG-CG 4.04Å; Q73-L76 PolarHBondContact O-N 2.97Å; Q73-S109 PolarHBondContact NE2-O 3.38Å; Q73-L178 HydrophobicContact CB-CD2 4.2Å
74R90.7Very high92.7Very high145 Ų14543.2 Ų43.255%0.54723%0.227SC..THydrogen-bonded Turntrans-54.9-27.4-177.571.4176-175.51781.2114.4T33 L76 Q81 F105T33-R74 HydrophobicContact CG2-CB 3.81Å; R74-L76 VanDerWaalsContact C-N 3.32Å; R74-Q81 PolarHBondContact O-NE2 3.27Å; R74-F105 HydrophobicContact CG-CE1 4.14Å; R74-F105 HydrophobicContact CG-CZ 4.09Å; R74-F105 VanDerWaalsContact NE-CZ 3.32Å
75G92.7Very high92.9Very high1 Ų143 Ų431%0.0123%0.226CC..THydrogen-bonded Turntrans-71.3-25.4-179.300000113.8Q73 S109Q73-G75 PolarHBondContact O-N 2.86Å; G75-S109 WeakPolarHBondContact CA-OG 3.33Å
76L94Very high93.1Very high10 Ų1042.4 Ų42.45%0.05222%0.22CC..THydrogen-bonded Turntrans-89-12.1179.7-66.1176.2000113Q73 R74 A111 I168 L170 P171 L178Q73-L76 HydrophobicContact CB-CD1 4.12Å; Q73-L76 HydrophobicContact CB-CG 4.41Å; Q73-L76 HydrophobicContact CG-CD1 3.95Å; Q73-L76 HydrophobicContact CG-CG 4.04Å; Q73-L76 PolarHBondContact O-N 2.97Å; R74-L76 VanDerWaalsContact C-N 3.32Å; L76-A111 HydrophobicContact CD2-CB 3.94Å; L76-I168 HydrophobicContact CD2-CG2 4.5Å; L76-L170 HydrophobicContact CB-CD2 3.93Å; L76-L170 HydrophobicContact CD2-CD2 4.36Å; L76-P171 HydrophobicContact CD1-CG 4.38Å; L76-L178 HydrophobicContact CD1-CB 4.09Å; L76-L178 HydrophobicContact CD1-CD2 4.23Å
77C93.7Very high93Very high12 Ų1244.7 Ų44.78%0.08123%0.228CC..  trans-85.1115.9177.2175.70000111.6S15 I79 A80 Q81S15-C77 PolarHBondContact OG-SG 3.34Å; C77-I79 VanDerWaalsContact C-N 3.32Å; C77-I79 PolarHBondContact O-N 3.07Å; C77-A80 HydrophobicContact CB-CB 4.03Å; C77-A80 PolarHBondContact O-N 2.69Å; C77-A80 PolarHBondContact SG-N 3.13Å; C77-A80 VanDerWaalsContact SG-N 3.44Å; C77-Q81 WeakPolarHBondContact O-CG 3.27Å; C77-Q81 PolarHBondContact O-N 2.83Å; C77-Q81 VanDerWaalsContact O-N 3.16Å
78A95.2Very high93.1Very high0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-64.3-37.3-179.100000112.1Q81 C82 D149 A151 I168A78-Q81 PolarHBondContact O-N 2.98Å; A78-C82 WeakPolarHBondContact O-CB 3.37Å; A78-C82 PolarHBondContact O-N 3.47Å; A78-D149 HydrophobicContact CB-CB 4.02Å; A78-D149 VanDerWaalsContact CB-CG 3.49Å; A78-D149 VanDerWaalsContact CB-OD2 3.31Å; A78-D149 WeakPolarHBondContact CB-OD2 3.38Å; A78-D149 PolarHBondContact N-OD2 2.98Å; A78-A151 VanDerWaalsContact C-CB 3.46Å; A78-A151 HydrophobicContact CB-CB 3.85Å; A78-A151 WeakPolarHBondContact O-CB 3.38Å; A78-I168 HydrophobicContact CB-CD1 4.22Å; A78-I168 HydrophobicContact CB-CG1 4.25Å
79I94.2Very high93.1Very high36 Ų3642.6 Ų42.619%0.18522%0.217CC..Hα-helixtrans-63.3-50.1179.5-69.4169.6000110.9Y14 S15 C77 Q81 C82 E83 A151Y14-I79 VanDerWaalsContact O-CG2 3.22Å; Y14-I79 WeakPolarHBondContact O-CG2 3.4Å; S15-I79 VanDerWaalsContact O-CD1 3.28Å; S15-I79 WeakPolarHBondContact O-CD1 3.22Å; C77-I79 VanDerWaalsContact C-N 3.32Å; C77-I79 PolarHBondContact O-N 3.07Å; I79-Q81 VanDerWaalsContact C-N 3.31Å; I79-Q81 PolarHBondContact O-N 2.6Å; I79-C82 PolarHBondContact O-N 3.18Å; I79-E83 PolarHBondContact O-N 2.98Å; I79-A151 HydrophobicContact CB-CB 4.45Å; I79-A151 HydrophobicContact CG1-CB 3.91Å
80A93.4Very high93.1Very high2 Ų242.1 Ų42.12%0.01722%0.217CC..Hα-helixtrans-61.9-39.9179.900000111.9T33 C77 S84T33-A80 HydrophobicContact CG2-CB 3.98Å; C77-A80 HydrophobicContact CB-CB 4.03Å; C77-A80 PolarHBondContact O-N 2.69Å; C77-A80 PolarHBondContact SG-N 3.13Å; C77-A80 VanDerWaalsContact SG-N 3.44Å; A80-S84 WeakPolarHBondContact O-CB 3.33Å; A80-S84 PolarHBondContact O-N 3.49Å; A80-S84 PolarHBondContact O-OG 3.02Å
81Q95.2Very high93.2Very high7 Ų738 Ų383%0.03322%0.219CC..Hα-helixtrans-69.6-37.6176.2-64.5-49.7-4700112.3R74 C77 A78 I79 S84 L85 I102 I106 V166 I168R74-Q81 PolarHBondContact O-NE2 3.27Å; C77-Q81 WeakPolarHBondContact O-CG 3.27Å; C77-Q81 PolarHBondContact O-N 2.83Å; C77-Q81 VanDerWaalsContact O-N 3.16Å; A78-Q81 PolarHBondContact O-N 2.98Å; I79-Q81 VanDerWaalsContact C-N 3.31Å; I79-Q81 PolarHBondContact O-N 2.6Å; Q81-S84 WeakPolarHBondContact O-CB 3.44Å; Q81-S84 PolarHBondContact O-N 3.49Å; Q81-L85 PolarHBondContact O-N 3.14Å; Q81-I102 HydrophobicContact CB-CG2 4.17Å; Q81-I106 HydrophobicContact CB-CD1 4.09Å; Q81-I106 HydrophobicContact CG-CD1 3.94Å; Q81-I106 HydrophobicContact CG-CG1 3.84Å; Q81-V166 HydrophobicContact CB-CG1 4.5Å; Q81-I168 HydrophobicContact CB-CD1 4.43Å; Q81-I168 HydrophobicContact CG-CD1 4.06Å
82C95.3Very high93.3Very high0 Ų040 Ų400%024%0.243CC..Hα-helixtrans-67.8-40.4177.8-160.60000112.2A78 I79 L85 R86 A151 R153 I164 V166A78-C82 WeakPolarHBondContact O-CB 3.37Å; A78-C82 PolarHBondContact O-N 3.47Å; I79-C82 PolarHBondContact O-N 3.18Å; C82-L85 PolarHBondContact O-N 3.28Å; C82-R86 PolarHBondContact O-N 3.35Å; C82-A151 HydrophobicContact CB-CB 3.78Å; C82-R153 HydrophobicContact CB-CG 3.98Å; C82-R153 VanDerWaalsContact SG-CB 3.55Å; C82-R153 WeakPolarHBondContact SG-CG 3.48Å; C82-I164 VanDerWaalsContact SG-CG2 3.52Å; C82-V166 HydrophobicContact CB-CB 4.29Å; C82-V166 HydrophobicContact CB-CG2 3.89Å
83E93.5Very high93.8Very high8 Ų838.6 Ų38.64%0.03722%0.216CC..Hα-helixtrans-64.9-42.4171.5-73.8-58.8152.100111.2I79 L85 R86 Y87 R153I79-E83 PolarHBondContact O-N 2.98Å; E83-L85 VanDerWaalsContact C-N 3.25Å; E83-L85 PolarHBondContact O-N 3.12Å; E83-R86 WeakPolarHBondContact O-CB 3.44Å; E83-R86 PolarHBondContact O-N 3Å; E83-R86 VanDerWaalsContact O-N 3.08Å; E83-R86 IonicContact OE2-NH1 3.66Å; E83-R86 PolarHBondContact OE2-NH1 3.19Å; E83-R86 VanDerWaalsContact OE2-NH1 3.1Å; E83-Y87 HydrophobicContact CB-CE2 4.39Å; E83-Y87 WeakPolarHBondContact O-CD2 3.39Å; E83-Y87 PolarHBondContact O-N 3.23Å; E83-R153 WeakPolarHBondContact OE1-CD 3.1Å; E83-R153 IonicContact OE1-CZ 2.97Å; E83-R153 IonicContact OE1-NE 3.28Å; E83-R153 PolarHBondContact OE1-NE 3.07Å
84S93.8Very high94.1Very high51 Ų5139.8 Ų39.836%0.35723%0.228SC..Hα-helixtrans-58.6-37.8174.9-62.60000112.2A80 Q81 K88A80-S84 WeakPolarHBondContact O-CB 3.33Å; A80-S84 PolarHBondContact O-N 3.49Å; A80-S84 PolarHBondContact O-OG 3.02Å; Q81-S84 WeakPolarHBondContact O-CB 3.44Å; Q81-S84 PolarHBondContact O-N 3.49Å; S84-K88 WeakPolarHBondContact O-CG 3.21Å; S84-K88 PolarHBondContact O-N 3.28Å; S84-K88 VanDerWaalsContact O-N 3.15Å
85L95.8Very high94.4Very high0 Ų034.3 Ų34.30%021%0.211CC..Hα-helixtrans-66.6-43.4173.9-17041.3000111.8Q81 C82 E83 Y87 K88 L89 A98 I102 V116 V118 I164Q81-L85 PolarHBondContact O-N 3.14Å; C82-L85 PolarHBondContact O-N 3.28Å; E83-L85 VanDerWaalsContact C-N 3.25Å; E83-L85 PolarHBondContact O-N 3.12Å; L85-Y87 PolarHBondContact O-N 3.19Å; L85-K88 PolarHBondContact O-N 3.25Å; L85-L89 HydrophobicContact CD1-CD1 4.18Å; L85-L89 HydrophobicContact CD1-CG 4.09Å; L85-L89 HydrophobicContact CG-CD1 4.23Å; L85-L89 WeakPolarHBondContact O-CG 3.48Å; L85-L89 PolarHBondContact O-N 2.9Å; L85-A98 HydrophobicContact CD1-CB 3.7Å; L85-I102 HydrophobicContact CB-CD1 3.25Å; L85-I102 HydrophobicContact CD1-CD1 3.72Å; L85-I102 HydrophobicContact CD2-CD1 4.24Å; L85-I102 HydrophobicContact CG-CD1 3.87Å; L85-I102 VanDerWaalsContact N-CD1 3.35Å; L85-V116 HydrophobicContact CD2-CG1 3.48Å; L85-V116 VanDerWaalsContact CD2-CG1 3.48Å; L85-V118 HydrophobicContact CD2-CG2 4.32Å; L85-I164 HydrophobicContact CB-CD1 4.09Å; L85-I164 HydrophobicContact CB-CG2 4.44Å; L85-I164 HydrophobicContact CD2-CD1 4.47Å; L85-I164 HydrophobicContact CD2-CG2 3.54Å; L85-I164 HydrophobicContact CG-CD1 3.93Å; L85-I164 HydrophobicContact CG-CG1 4.42Å; L85-I164 HydrophobicContact CG-CG2 4.14Å
86R95Very high94.5Very high61 Ų6142.2 Ų42.223%0.2324%0.24CC..Hα-helixtrans-56.4-49.9176.9170.5170.1171.9-86.9-11.1111.2C82 E83 K88 L89 I90 H154 V155 I164C82-R86 PolarHBondContact O-N 3.35Å; E83-R86 WeakPolarHBondContact O-CB 3.44Å; E83-R86 PolarHBondContact O-N 3Å; E83-R86 VanDerWaalsContact O-N 3.08Å; E83-R86 IonicContact OE2-NH1 3.66Å; E83-R86 PolarHBondContact OE2-NH1 3.19Å; E83-R86 VanDerWaalsContact OE2-NH1 3.1Å; R86-K88 PolarHBondContact O-N 3.22Å; R86-L89 PolarHBondContact O-N 2.83Å; R86-I90 HydrophobicContact CG-CD1 3.84Å; R86-I90 WeakPolarHBondContact O-CG1 3.48Å; R86-I90 PolarHBondContact O-N 2.87Å; R86-H154 WeakPolarHBondContact CD-O 3.46Å; R86-H154 PolarHBondContact NE-O 3.47Å; R86-V155 HydrophobicContact CB-CG2 4.08Å; R86-V155 HydrophobicContact CG-CG1 4.47Å; R86-V155 HydrophobicContact CG-CG2 4.02Å; R86-I164 HydrophobicContact CB-CD1 3.97Å
87Y93.4Very high94.7Very high62 Ų6250.2 Ų50.224%0.24327%0.27CS..Hα-helixtrans-65.7-38.2178.5-70.7-68.4000113.3A10 E11 E83 L85 L89 I90 G91A10-Y87 WeakPolarHBondContact O-CE2 3.33Å; A10-Y87 PolarHBondContact O-OH 3.09Å; E11-Y87 VanDerWaalsContact CA-OH 3.24Å; E11-Y87 WeakPolarHBondContact CA-OH 3.08Å; E11-Y87 HydrophobicContact CG-CE1 3.8Å; E11-Y87 WeakPolarHBondContact CG-OH 3.35Å; E11-Y87 PolarHBondContact N-OH 3.29Å; E83-Y87 HydrophobicContact CB-CE2 4.39Å; E83-Y87 WeakPolarHBondContact O-CD2 3.39Å; E83-Y87 PolarHBondContact O-N 3.23Å; L85-Y87 PolarHBondContact O-N 3.19Å; Y87-L89 VanDerWaalsContact C-N 3.3Å; Y87-L89 PolarHBondContact O-N 2.78Å; Y87-I90 PolarHBondContact O-N 3.01Å; Y87-G91 PolarHBondContact O-N 3.02Å
88K94.8Very high94.8Very high81 Ų8149.7 Ų49.735%0.35227%0.266SS..Hα-helixtrans-60.9-39.5174.9-76.6175-178.9176.70112.2S84 L85 R86 L93 A98 I102S84-K88 WeakPolarHBondContact O-CG 3.21Å; S84-K88 PolarHBondContact O-N 3.28Å; S84-K88 VanDerWaalsContact O-N 3.15Å; L85-K88 PolarHBondContact O-N 3.25Å; R86-K88 PolarHBondContact O-N 3.22Å; K88-L93 HydrophobicContact CB-CD2 4.21Å; K88-L93 HydrophobicContact CD-CD2 4.35Å; K88-L93 HydrophobicContact CG-CD2 4.36Å; K88-L93 WeakPolarHBondContact O-CB 3.21Å; K88-L93 PolarHBondContact O-N 3.24Å; K88-L93 VanDerWaalsContact O-N 3.15Å; K88-A98 HydrophobicContact CB-CB 4.18Å; K88-I102 HydrophobicContact CD-CD1 4.23Å; K88-I102 HydrophobicContact CD-CG1 4.32Å
89L95Very high94.9Very high9 Ų949.7 Ų49.75%0.04727%0.266CS..Hα-helixtrans-72.6-39.1177.9-68.5176.5000112.4L85 R86 Y87 G91 G92 V95 A98 V155 I164L85-L89 HydrophobicContact CD1-CD1 4.18Å; L85-L89 HydrophobicContact CD1-CG 4.09Å; L85-L89 HydrophobicContact CG-CD1 4.23Å; L85-L89 WeakPolarHBondContact O-CG 3.48Å; L85-L89 PolarHBondContact O-N 2.9Å; R86-L89 PolarHBondContact O-N 2.83Å; Y87-L89 VanDerWaalsContact C-N 3.3Å; Y87-L89 PolarHBondContact O-N 2.78Å; L89-G91 VanDerWaalsContact C-N 3.29Å; L89-G91 PolarHBondContact O-N 3.39Å; L89-G92 PolarHBondContact O-N 3.03Å; L89-V95 HydrophobicContact CD2-CB 4.21Å; L89-V95 HydrophobicContact CD2-CG2 3.73Å; L89-A98 HydrophobicContact CD2-CB 3.97Å; L89-V155 HydrophobicContact CB-CG1 4.27Å; L89-V155 HydrophobicContact CD1-CG2 4.24Å; L89-I164 HydrophobicContact CD1-CD1 4Å; L89-I164 HydrophobicContact CD1-CG1 4.16Å
90I94.1Very high95.1Very high80 Ų8054.5 Ų54.541%0.4128%0.283SS..Hα-helixtrans-63-39.3173.6-67168.5000110.5R86 Y87 G92 V155R86-I90 HydrophobicContact CG-CD1 3.84Å; R86-I90 WeakPolarHBondContact O-CG1 3.48Å; R86-I90 PolarHBondContact O-N 2.87Å; Y87-I90 PolarHBondContact O-N 3.01Å; I90-G92 PolarHBondContact O-N 2.8Å; I90-V155 HydrophobicContact CD1-CG1 4.22Å; I90-V155 HydrophobicContact CG1-CG1 3.61Å
91G94.2Very high95.2Very high70 Ų7056 Ų5672%0.72230%0.299SS*.THydrogen-bonded Turntrans-68.76.1175.700000115.3Y87 L89 L93Y87-G91 PolarHBondContact O-N 3.02Å; L89-G91 VanDerWaalsContact C-N 3.29Å; L89-G91 PolarHBondContact O-N 3.39Å; G91-L93 PolarHBondContact O-N 2.71Å
92G92.6Very high95.3Very high62 Ų6255.7 Ų55.764%0.63930%0.297SS*.THydrogen-bonded Turntrans80.410.3175.400000114.9L89 I90L89-G92 PolarHBondContact O-N 3.03Å; I90-G92 PolarHBondContact O-N 2.8Å
93L95.4Very high95.3Very high55 Ų5556.2 Ų56.229%0.28830%0.3SS..  trans-68133.6176.8-165.768000110.1K88 G91 V95 R97 A98K88-L93 HydrophobicContact CB-CD2 4.21Å; K88-L93 HydrophobicContact CD-CD2 4.35Å; K88-L93 HydrophobicContact CG-CD2 4.36Å; K88-L93 WeakPolarHBondContact O-CB 3.21Å; K88-L93 PolarHBondContact O-N 3.24Å; K88-L93 VanDerWaalsContact O-N 3.15Å; G91-L93 PolarHBondContact O-N 2.71Å; L93-V95 PolarHBondContact O-N 2.79Å; L93-R97 HydrophobicContact CD1-CG 4.3Å; L93-R97 HydrophobicContact CD2-CG 4.5Å; L93-R97 HydrophobicContact CG-CB 4.47Å; L93-R97 HydrophobicContact CG-CG 4.42Å; L93-A98 HydrophobicContact CB-CB 4.45Å; L93-A98 HydrophobicContact CD2-CB 3.87Å; L93-A98 HydrophobicContact CG-CB 4.3Å
94P95.2Very high95.5Very high83 Ų8364 Ų6454%0.53933%0.329SS..  trans-56.3135.5178.3-2735000112.4R96 R97 A98P94-R96 VanDerWaalsContact C-N 3.34Å; P94-R96 PolarHBondContact O-N 3.44Å; P94-R97 HydrophobicContact CB-CB 4.37Å; P94-R97 WeakPolarHBondContact O-CA 3.03Å; P94-R97 WeakPolarHBondContact O-CB 3.24Å; P94-R97 PolarHBondContact O-N 3.43Å; P94-A98 PolarHBondContact O-N 2.86Å
95V95.4Very high95.7Very high31 Ų3164.1 Ų64.119%0.18832%0.323CS..Hα-helixtrans-52.4-46.5-171.1175.10000112.9L89 L93 R97 A98 C99 V118 L122 M130L89-V95 HydrophobicContact CD2-CB 4.21Å; L89-V95 HydrophobicContact CD2-CG2 3.73Å; L93-V95 PolarHBondContact O-N 2.79Å; V95-R97 PolarHBondContact O-N 3.38Å; V95-A98 PolarHBondContact O-N 3.46Å; V95-C99 WeakPolarHBondContact O-CB 3.12Å; V95-C99 PolarHBondContact O-N 2.95Å; V95-C99 PolarHBondContact O-SG 2.8Å; V95-V118 HydrophobicContact CG1-CB 4.19Å; V95-V118 HydrophobicContact CG1-CG1 4.05Å; V95-V118 HydrophobicContact CG1-CG2 4.34Å; V95-L122 HydrophobicContact CG1-CD2 4.21Å; V95-L122 HydrophobicContact CG2-CD2 3.9Å; V95-M130 HydrophobicContact CG1-SD 4.35Å
96R95.9Very high95.7Very high167 Ų16764.1 Ų64.163%0.6332%0.323SS*.Hα-helixtrans-59.6-46.6177-74.7-172.9170.6177.8-1.9111.8P94 C99 Y100 M130 F132P94-R96 VanDerWaalsContact C-N 3.34Å; P94-R96 PolarHBondContact O-N 3.44Å; R96-C99 PolarHBondContact O-N 3.14Å; R96-Y100 HydrophobicContact CB-CD2 4.4Å; R96-Y100 HydrophobicContact CB-CE2 4.37Å; R96-Y100 WeakPolarHBondContact O-CD2 3.37Å; R96-Y100 PolarHBondContact O-N 2.78Å; R96-M130 HydrophobicContact CG-CE 3.63Å; R96-F132 HydrophobicContact CG-CE1 4.17Å; R96-F132 HydrophobicContact CG-CZ 4.04Å
97R97Very high95.8Very high178 Ų17863.7 Ų63.767%0.67233%0.325SS*.Hα-helixtrans-64.9-41-179.8-173.2173.9-180-175.42.1111.3L93 P94 V95 G101L93-R97 HydrophobicContact CD1-CG 4.3Å; L93-R97 HydrophobicContact CD2-CG 4.5Å; L93-R97 HydrophobicContact CG-CB 4.47Å; L93-R97 HydrophobicContact CG-CG 4.42Å; P94-R97 HydrophobicContact CB-CB 4.37Å; P94-R97 WeakPolarHBondContact O-CA 3.03Å; P94-R97 WeakPolarHBondContact O-CB 3.24Å; P94-R97 PolarHBondContact O-N 3.43Å; V95-R97 PolarHBondContact O-N 3.38Å; R97-G101 PolarHBondContact O-N 2.8Å
98A97Very high95.9Very high0 Ų066.3 Ų66.30%034%0.339CS..Hα-helixtrans-63.3-45.3176.600000112.1L85 K88 L89 L93 P94 V95 G101 I102L85-A98 HydrophobicContact CD1-CB 3.7Å; K88-A98 HydrophobicContact CB-CB 4.18Å; L89-A98 HydrophobicContact CD2-CB 3.97Å; L93-A98 HydrophobicContact CB-CB 4.45Å; L93-A98 HydrophobicContact CD2-CB 3.87Å; L93-A98 HydrophobicContact CG-CB 4.3Å; P94-A98 PolarHBondContact O-N 2.86Å; V95-A98 PolarHBondContact O-N 3.46Å; A98-G101 PolarHBondContact O-N 3.16Å; A98-I102 PolarHBondContact O-N 3.33Å
99C97.2Very high95.9Very high0 Ų063.2 Ų63.20%033%0.328CS..Hα-helixtrans-66.9-49179.9-63.40000111.8V95 R96 G101 I102 L103 V116 V118 F132V95-C99 WeakPolarHBondContact O-CB 3.12Å; V95-C99 PolarHBondContact O-N 2.95Å; V95-C99 PolarHBondContact O-SG 2.8Å; R96-C99 PolarHBondContact O-N 3.14Å; C99-G101 VanDerWaalsContact C-N 3.29Å; C99-G101 PolarHBondContact O-N 3.03Å; C99-I102 PolarHBondContact O-N 2.89Å; C99-I102 VanDerWaalsContact O-N 3.14Å; C99-L103 VanDerWaalsContact O-CB 3.29Å; C99-L103 WeakPolarHBondContact O-CB 3.32Å; C99-L103 PolarHBondContact O-N 2.94Å; C99-V116 HydrophobicContact CB-CG1 4.42Å; C99-V118 WeakPolarHBondContact SG-CG2 3.4Å; C99-F132 HydrophobicContact CB-CD1 4.21Å; C99-F132 HydrophobicContact CB-CD2 3.53Å; C99-F132 HydrophobicContact CB-CE1 4.21Å; C99-F132 HydrophobicContact CB-CE2 3.54Å; C99-F132 HydrophobicContact CB-CG 3.88Å; C99-F132 HydrophobicContact CB-CZ 3.89Å; C99-F132 WeakPolarHBondContact SG-CE2 2.97Å
100Y97.6Very high95.9Very high138 Ų13869.2 Ų69.254%0.54136%0.355SS..Hα-helixtrans-61.4-37.6177.4-75.9-58000112.4R96 I102 L103 R104 F132R96-Y100 HydrophobicContact CB-CD2 4.4Å; R96-Y100 HydrophobicContact CB-CE2 4.37Å; R96-Y100 WeakPolarHBondContact O-CD2 3.37Å; R96-Y100 PolarHBondContact O-N 2.78Å; Y100-I102 VanDerWaalsContact C-N 3.28Å; Y100-I102 PolarHBondContact O-N 2.99Å; Y100-L103 PolarHBondContact O-N 3.34Å; Y100-R104 VanDerWaalsContact O-CB 3.28Å; Y100-R104 WeakPolarHBondContact O-CB 3.29Å; Y100-R104 PolarHBondContact O-N 3Å; Y100-F132 HydrophobicContact CE1-CD1 4.12Å; Y100-F132 HydrophobicContact CE2-CD1 4.32Å; Y100-F132 HydrophobicContact CE2-CE1 4.04Å; Y100-F132 AromaticContact CZ-CD1 3.97Å
101G96.6Very high96Very high34 Ų3465.8 Ų65.835%0.35134%0.339SS..Hα-helixtrans-64.5-30.5176.700000113.7R97 A98 C99 F105R97-G101 PolarHBondContact O-N 2.8Å; A98-G101 PolarHBondContact O-N 3.16Å; C99-G101 VanDerWaalsContact C-N 3.29Å; C99-G101 PolarHBondContact O-N 3.03Å; G101-F105 WeakPolarHBondContact O-CB 3.34Å; G101-F105 PolarHBondContact O-N 2.9Å
102I96.3Very high96.1Very high0 Ų068.3 Ų68.30%033%0.33CS..Hα-helixtrans-83.9-43.3176.3-71-179.6000111.3Q81 L85 K88 A98 C99 Y100 R104 F105 I106Q81-I102 HydrophobicContact CB-CG2 4.17Å; L85-I102 HydrophobicContact CB-CD1 3.25Å; L85-I102 HydrophobicContact CD1-CD1 3.72Å; L85-I102 HydrophobicContact CD2-CD1 4.24Å; L85-I102 HydrophobicContact CG-CD1 3.87Å; L85-I102 VanDerWaalsContact N-CD1 3.35Å; K88-I102 HydrophobicContact CD-CD1 4.23Å; K88-I102 HydrophobicContact CD-CG1 4.32Å; A98-I102 PolarHBondContact O-N 3.33Å; C99-I102 PolarHBondContact O-N 2.89Å; C99-I102 VanDerWaalsContact O-N 3.14Å; Y100-I102 VanDerWaalsContact C-N 3.28Å; Y100-I102 PolarHBondContact O-N 2.99Å; I102-R104 VanDerWaalsContact C-N 3.3Å; I102-R104 PolarHBondContact O-N 3.2Å; I102-F105 PolarHBondContact O-N 3.4Å; I102-F105 VanDerWaalsContact O-N 3.12Å; I102-I106 HydrophobicContact CG2-CD1 3.57Å; I102-I106 HydrophobicContact CG2-CG1 4.24Å; I102-I106 VanDerWaalsContact O-CG1 3.29Å; I102-I106 WeakPolarHBondContact O-CG1 3.4Å; I102-I106 PolarHBondContact O-N 3.45Å
103L96.7Very high96.3Very high10 Ų1065.4 Ų65.45%0.05230%0.3CS..Hα-helixtrans-58.3-45.5178.2-174162.5000110.4C99 Y100 F105 I106 M107 F132 D134C99-L103 VanDerWaalsContact O-CB 3.29Å; C99-L103 WeakPolarHBondContact O-CB 3.32Å; C99-L103 PolarHBondContact O-N 2.94Å; Y100-L103 PolarHBondContact O-N 3.34Å; L103-F105 PolarHBondContact O-N 3.43Å; L103-I106 PolarHBondContact O-N 3.23Å; L103-M107 HydrophobicContact CD2-CG 4.27Å; L103-M107 WeakPolarHBondContact O-CG 3.35Å; L103-M107 PolarHBondContact O-N 3.3Å; L103-F132 HydrophobicContact CD1-CB 3.76Å; L103-D134 HydrophobicContact CD1-CB 4.07Å; L103-D134 HydrophobicContact CD2-CB 3.31Å; L103-D134 VanDerWaalsContact CD2-OD2 3.27Å; L103-D134 WeakPolarHBondContact CD2-OD2 3.37Å; L103-D134 HydrophobicContact CG-CB 3.94Å
104R97Very high96.4Very high171 Ų17162.8 Ų62.865%0.64529%0.286SS*.Hα-helixtrans-59.7-45.9173.1-178.5173.5175.3167.73112.4Y100 I102 I106 M107 E108Y100-R104 VanDerWaalsContact O-CB 3.28Å; Y100-R104 WeakPolarHBondContact O-CB 3.29Å; Y100-R104 PolarHBondContact O-N 3Å; I102-R104 VanDerWaalsContact C-N 3.3Å; I102-R104 PolarHBondContact O-N 3.2Å; R104-I106 VanDerWaalsContact C-N 3.3Å; R104-I106 PolarHBondContact O-N 3.3Å; R104-M107 PolarHBondContact O-N 3.31Å; R104-E108 HydrophobicContact CG-CG 4.33Å; R104-E108 WeakPolarHBondContact CG-OE1 3.31Å; R104-E108 IonicContact CZ-OE1 3.54Å; R104-E108 IonicContact NE-OE1 2.77Å; R104-E108 PolarHBondContact NE-OE1 3.29Å; R104-E108 IonicContact NH2-OE1 3.43Å; R104-E108 PolarHBondContact NH2-OE1 3.29Å; R104-E108 WeakPolarHBondContact O-CB 3.29Å; R104-E108 WeakPolarHBondContact O-CG 2.92Å; R104-E108 PolarHBondContact O-N 3Å
105F96.9Very high96.5Very high55 Ų5559.1 Ų59.124%0.24126%0.262CS..Hα-helixtrans-62.6-36179.6-177.2-105.3000112.9R74 G101 I102 L103 S109R74-F105 HydrophobicContact CG-CE1 4.14Å; R74-F105 HydrophobicContact CG-CZ 4.09Å; R74-F105 VanDerWaalsContact NE-CZ 3.32Å; G101-F105 WeakPolarHBondContact O-CB 3.34Å; G101-F105 PolarHBondContact O-N 2.9Å; I102-F105 PolarHBondContact O-N 3.4Å; I102-F105 VanDerWaalsContact O-N 3.12Å; L103-F105 PolarHBondContact O-N 3.43Å; F105-S109 WeakPolarHBondContact O-CB 3.39Å; F105-S109 PolarHBondContact O-N 3.15Å; F105-S109 VanDerWaalsContact O-N 3.1Å; F105-S109 PolarHBondContact O-OG 3.41Å
106I97.1Very high96.7Very high0 Ų057.6 Ų57.60%025%0.253CS..Hα-helixtrans-68.7-44.9176.7-68.7166.3000110.8Q81 I102 L103 R104 S109 A111 C114 V166 I168Q81-I106 HydrophobicContact CB-CD1 4.09Å; Q81-I106 HydrophobicContact CG-CD1 3.94Å; Q81-I106 HydrophobicContact CG-CG1 3.84Å; I102-I106 HydrophobicContact CG2-CD1 3.57Å; I102-I106 HydrophobicContact CG2-CG1 4.24Å; I102-I106 VanDerWaalsContact O-CG1 3.29Å; I102-I106 WeakPolarHBondContact O-CG1 3.4Å; I102-I106 PolarHBondContact O-N 3.45Å; L103-I106 PolarHBondContact O-N 3.23Å; R104-I106 VanDerWaalsContact C-N 3.3Å; R104-I106 PolarHBondContact O-N 3.3Å; I106-S109 CarbonylContact O-C 3.58Å; I106-S109 WeakPolarHBondContact O-CA 3.41Å; I106-S109 WeakPolarHBondContact O-CB 3.45Å; I106-S109 PolarHBondContact O-N 3.37Å; I106-S109 VanDerWaalsContact O-N 3.12Å; I106-A111 HydrophobicContact CG2-CB 3.53Å; I106-A111 WeakPolarHBondContact O-CB 3.01Å; I106-A111 PolarHBondContact O-N 2.89Å; I106-C114 HydrophobicContact CB-CB 4.39Å; I106-C114 WeakPolarHBondContact CD1-SG 3.45Å; I106-C114 HydrophobicContact CG2-CB 3.78Å; I106-V166 HydrophobicContact CD1-CG1 4.29Å; I106-I168 HydrophobicContact CD1-CD1 3.76Å; I106-I168 HydrophobicContact CD1-CG1 4.1Å; I106-I168 HydrophobicContact CG1-CD1 4.02Å; I106-I168 HydrophobicContact CG2-CD1 4.08Å; I106-I168 HydrophobicContact CG2-CG1 4.16Å; I106-I168 HydrophobicContact CG2-CG2 3.81Å
107M96.5Very high96.7Very high52 Ų5251 Ų5126%0.25623%0.23SC..Hα-helixtrans-67-40.4178.3-65.3-59.9-71.800112L103 R104 S109 Q110 D134L103-M107 HydrophobicContact CD2-CG 4.27Å; L103-M107 WeakPolarHBondContact O-CG 3.35Å; L103-M107 PolarHBondContact O-N 3.3Å; R104-M107 PolarHBondContact O-N 3.31Å; M107-S109 PolarHBondContact O-N 3.13Å; M107-Q110 PolarHBondContact O-N 3.08Å; M107-D134 HydrophobicContact CG-CB 4.29Å; M107-D134 HydrophobicContact SD-CB 4.42Å
108E96.5Very high96.8Very high117 Ų11742.5 Ų42.555%0.54720%0.198SC..Hα-helixtrans-62.1-26.7171.8-74.5173.1179.100112.2R104 Q110R104-E108 HydrophobicContact CG-CG 4.33Å; R104-E108 WeakPolarHBondContact CG-OE1 3.31Å; R104-E108 IonicContact CZ-OE1 3.54Å; R104-E108 IonicContact NE-OE1 2.77Å; R104-E108 PolarHBondContact NE-OE1 3.29Å; R104-E108 IonicContact NH2-OE1 3.43Å; R104-E108 PolarHBondContact NH2-OE1 3.29Å; R104-E108 WeakPolarHBondContact O-CB 3.29Å; R104-E108 WeakPolarHBondContact O-CG 2.92Å; R104-E108 PolarHBondContact O-N 3Å; E108-Q110 PolarHBondContact O-N 3.15Å
109S94.9Very high96.7Very high16 Ų1644.8 Ų44.811%0.11221%0.213CC..THydrogen-bonded Turntrans-81.517173.4-57.80000113.5Q73 G75 F105 I106 M107 A111Q73-S109 PolarHBondContact NE2-O 3.38Å; G75-S109 WeakPolarHBondContact CA-OG 3.33Å; F105-S109 WeakPolarHBondContact O-CB 3.39Å; F105-S109 PolarHBondContact O-N 3.15Å; F105-S109 VanDerWaalsContact O-N 3.1Å; F105-S109 PolarHBondContact O-OG 3.41Å; I106-S109 CarbonylContact O-C 3.58Å; I106-S109 WeakPolarHBondContact O-CA 3.41Å; I106-S109 WeakPolarHBondContact O-CB 3.45Å; I106-S109 PolarHBondContact O-N 3.37Å; I106-S109 VanDerWaalsContact O-N 3.12Å; M107-S109 PolarHBondContact O-N 3.13Å; S109-A111 PolarHBondContact O-N 3.47Å
110Q94Very high96.7Very high134 Ų13445.5 Ų45.563%0.62622%0.221SC*.THydrogen-bonded Turntrans65.328.8175.9-54.6-176.9-43.500115.2M107 E108 P171M107-Q110 PolarHBondContact O-N 3.08Å; E108-Q110 PolarHBondContact O-N 3.15Å; Q110-P171 WeakPolarHBondContact O-CG 3.37Å
111A96.1Very high96.5Very high9 Ų943 Ų437%0.07421%0.213CC..  trans-65.8147.4165.400000110.8L76 I106 S109 G113 I168L76-A111 HydrophobicContact CD2-CB 3.94Å; I106-A111 HydrophobicContact CG2-CB 3.53Å; I106-A111 WeakPolarHBondContact O-CB 3.01Å; I106-A111 PolarHBondContact O-N 2.89Å; S109-A111 PolarHBondContact O-N 3.47Å; A111-G113 VanDerWaalsContact C-N 3.31Å; A111-I168 HydrophobicContact CB-CG2 3.85Å
112K96.1Very high96.1Very high123 Ų12343.1 Ų43.154%0.53521%0.205SC..SBendtrans-74.1-27.1173.5-77.6-71.1-177.9-177.20112.3L136 M169 P171K112-L136 PolarHBondContact O-N 2.87Å; K112-M169 HydrophobicContact CB-CB 4.39Å; K112-M169 HydrophobicContact CB-CG 4.04Å; K112-M169 HydrophobicContact CB-SD 4.14Å; K112-M169 PolarHBondContact N-O 3.06Å; K112-P171 HydrophobicContact CG-CB 4.43Å
113G97.3Very high95.7Very high0 Ų054.9 Ų54.90%025%0.249CC..EExtended strand (participates in β ladder)trans-176.2169.717100000112A111 D134 L136 M169A111-G113 VanDerWaalsContact C-N 3.31Å; G113-D134 CarbonylContact C-O 3.54Å; G113-D134 WeakPolarHBondContact CA-O 3.15Å; G113-L136 VanDerWaalsContact CA-O 3.26Å; G113-L136 WeakPolarHBondContact CA-O 3.34Å; G113-M169 PolarHBondContact O-N 3.34Å
114C97.2Very high95.3Very high0 Ų056 Ų560%026%0.264CS..EExtended strand (participates in β ladder)trans-146.3142.5-174.8-178.30000110.3I106 V133 D134 K167I106-C114 HydrophobicContact CB-CB 4.39Å; I106-C114 WeakPolarHBondContact CD1-SG 3.45Å; I106-C114 HydrophobicContact CG2-CB 3.78Å; C114-V133 WeakPolarHBondContact O-CA 3.44Å; C114-D134 PolarHBondContact N-O 2.83Å; C114-D134 PolarHBondContact O-N 2.81Å; C114-K167 WeakPolarHBondContact CA-O 3.47Å
115E97.8Very high95.1Very high6 Ų655.4 Ų55.43%0.02827%0.268CS..EExtended strand (participates in β ladder)trans-129.2118.5171.3175-178.2-175.100108.8I117 K131 F132 V133 M137 H139 V166 K167E115-I117 HydrophobicContact CG-CD1 4.21Å; E115-I117 HydrophobicContact CG-CG1 4.08Å; E115-I117 WeakPolarHBondContact OE1-CD1 3.34Å; E115-K131 HydrophobicContact CG-CG 4.43Å; E115-K131 WeakPolarHBondContact OE1-CD 3.47Å; E115-K131 WeakPolarHBondContact OE1-CE 3.48Å; E115-K131 IonicContact OE1-NZ 3.1Å; E115-K131 PolarHBondContact OE1-NZ 3.48Å; E115-K131 IonicContact OE2-NZ 2.78Å; E115-F132 CarbonylContact C-O 3.47Å; E115-F132 WeakPolarHBondContact CA-O 3.18Å; E115-V133 HydrophobicContact CG-CG2 4.19Å; E115-M137 HydrophobicContact CB-CE 4.14Å; E115-H139 IonicContact OE2-NE2 3.94Å; E115-V166 CarbonylContact O-C 3.57Å; E115-V166 WeakPolarHBondContact O-CA 3.5Å; E115-K167 HydrophobicContact CB-CB 4.24Å; E115-K167 PolarHBondContact N-O 2.89Å; E115-K167 PolarHBondContact O-N 3.44Å; E115-K167 IonicContact OE1-NZ 3.18Å; E115-K167 WeakPolarHBondContact OE2-CD 3.26Å; E115-K167 WeakPolarHBondContact OE2-CE 3.15Å; E115-K167 IonicContact OE2-NZ 3.44Å; E115-K167 PolarHBondContact OE2-NZ 3.3Å
116V98Very high95Very high0 Ų063.1 Ų63.10%030%0.296CS..EExtended strand (participates in β ladder)trans-114119.2174.4-178.70000108.5L85 C99 V118 F132 K165 V166L85-V116 HydrophobicContact CD2-CG1 3.48Å; L85-V116 VanDerWaalsContact CD2-CG1 3.48Å; C99-V116 HydrophobicContact CB-CG1 4.42Å; V116-V118 HydrophobicContact CG1-CG2 4.42Å; V116-F132 HydrophobicContact CB-CB 4.43Å; V116-F132 PolarHBondContact N-O 2.85Å; V116-F132 PolarHBondContact O-N 3.25Å; V116-K165 CarbonylContact C-O 3.6Å; V116-K165 WeakPolarHBondContact CA-O 3.46Å; V116-V166 HydrophobicContact CG1-CG2 4.41Å; V116-V166 HydrophobicContact CG2-CG1 4.44Å; V116-V166 HydrophobicContact CG2-CG2 4.37Å
117I97.8Very high94.9Very high28 Ų2866.3 Ų66.314%0.14432%0.322CS..EExtended strand (participates in β ladder)trans-113.5126.5175.5-58.8161.6000108.5E115 S129 M130 K131 I164 K165E115-I117 HydrophobicContact CG-CD1 4.21Å; E115-I117 HydrophobicContact CG-CG1 4.08Å; E115-I117 WeakPolarHBondContact OE1-CD1 3.34Å; I117-S129 WeakPolarHBondContact CG2-OG 3.36Å; I117-M130 WeakPolarHBondContact CA-O 3.5Å; I117-K131 HydrophobicContact CG1-CB 4.13Å; I117-K131 HydrophobicContact CG1-CD 4.34Å; I117-K131 HydrophobicContact CG1-CG 4.04Å; I117-I164 CarbonylContact O-C 3.58Å; I117-I164 WeakPolarHBondContact O-CA 3.32Å; I117-K165 HydrophobicContact CB-CB 4.27Å; I117-K165 HydrophobicContact CD1-CD 4.26Å; I117-K165 PolarHBondContact N-O 3.4Å; I117-K165 PolarHBondContact O-N 2.95Å
118V97.4Very high94.9Very high0 Ų070.4 Ų70.40%034%0.339CS..EExtended strand (participates in β ladder)trans-116122.4170.1-176.50000108.5L85 V95 C99 V116 L122 M130 L162L85-V118 HydrophobicContact CD2-CG2 4.32Å; V95-V118 HydrophobicContact CG1-CB 4.19Å; V95-V118 HydrophobicContact CG1-CG1 4.05Å; V95-V118 HydrophobicContact CG1-CG2 4.34Å; C99-V118 WeakPolarHBondContact SG-CG2 3.4Å; V116-V118 HydrophobicContact CG1-CG2 4.42Å; V118-L122 HydrophobicContact CG1-CD2 4.13Å; V118-M130 PolarHBondContact N-O 2.81Å; V118-M130 PolarHBondContact O-N 2.86Å; V118-L162 HydrophobicContact CG1-CD1 4.31Å
119S96.7Very high94.9Very high47 Ų4768.8 Ų68.833%0.32934%0.34SS..EExtended strand (participates in β ladder)trans-126.2141.7-17458.60000110.9K128 L162 G163S119-K128 WeakPolarHBondContact CA-O 3.49Å; S119-L162 CarbonylContact O-C 3.57Å; S119-L162 WeakPolarHBondContact O-CA 3.44Å; S119-G163 PolarHBondContact N-O 3.2Å; S119-G163 PolarHBondContact O-N 2.98Å; S119-G163 PolarHBondContact OG-O 2.82Å
120G95.8Very high95Very high15 Ų1570.1 Ų70.116%0.15535%0.345CS..EExtended strand (participates in β ladder)trans136-158.8175.600000113.2L122 A127 K128G120-L122 PolarHBondContact O-N 2.99Å; G120-A127 CarbonylContact O-C 3.26Å; G120-A127 WeakPolarHBondContact O-CA 3.47Å; G120-K128 PolarHBondContact N-O 3.03Å; G120-K128 PolarHBondContact O-N 3.05Å; G120-K128 VanDerWaalsContact O-O 3.12Å
121K94Very high95.1Very high87 Ų8769.2 Ų69.238%0.37834%0.339SS..  trans-82.199.1179.8-66.1-175.2179.1-1750110.5Q125K121-Q125 WeakPolarHBondContact CE-O 3.36Å
122L88.6Confident95.2Very high35 Ų3569.4 Ų69.418%0.18334%0.338CS..SBendtrans-88.9-62.5-174.7-65.7173.8000113.7V95 V118 G120 K128 M130 L162V95-L122 HydrophobicContact CG1-CD2 4.21Å; V95-L122 HydrophobicContact CG2-CD2 3.9Å; V118-L122 HydrophobicContact CG1-CD2 4.13Å; G120-L122 PolarHBondContact O-N 2.99Å; L122-K128 HydrophobicContact CD1-CB 4.1Å; L122-M130 HydrophobicContact CD1-CG 3.58Å; L122-M130 HydrophobicContact CD1-SD 3.47Å; L122-M130 WeakPolarHBondContact CD1-SD 3.48Å; L122-L162 HydrophobicContact CD2-CD1 4.1Å; L122-L162 HydrophobicContact CD2-CD2 4.07Å
123R87.5Confident95.2Very high247 Ų24767 Ų6793%0.93233%0.334SS*.SBendtrans-122.5-16.9178.8-81.1-163.7-173.7-170.92.3113.9
124G89.2Confident95.2Very high34 Ų3470.5 Ų70.535%0.35135%0.353SS..SBendtrans-134.9175.5-174.200000112R126G124-R126 VanDerWaalsContact C-N 3.27Å; G124-R126 PolarHBondContact O-N 2.81Å
125Q91.9Very high95.2Very high159 Ų15972.7 Ų72.774%0.74338%0.375SS*.SBendtrans-66.1-30-178.1-66.3-57.4-27.900113.2K121K121-Q125 WeakPolarHBondContact CE-O 3.36Å
126R94.6Very high95.1Very high216 Ų21677 Ų7782%0.81540%0.398SS*.SBendtrans-82.3133176.3-169170.6-176.8165.41.1110.8G124G124-R126 VanDerWaalsContact C-N 3.27Å; G124-R126 PolarHBondContact O-N 2.81Å
127A95.5Very high95Very high67 Ų6778.1 Ų78.155%0.55440%0.403SS*.  trans-62.1143175.100000111.4G120G120-A127 CarbonylContact O-C 3.26Å; G120-A127 WeakPolarHBondContact O-CA 3.47Å
128K96.1Very high94.9Very high139 Ų13978.6 Ų78.660%0.60441%0.406SS*.EExtended strand (participates in β ladder)trans-130.4152173.8-67.5-172.9-179.9-174.20109.3S119 G120 L122S119-K128 WeakPolarHBondContact CA-O 3.49Å; G120-K128 PolarHBondContact N-O 3.03Å; G120-K128 PolarHBondContact O-N 3.05Å; G120-K128 VanDerWaalsContact O-O 3.12Å; L122-K128 HydrophobicContact CD1-CB 4.1Å
129S96.1Very high94.8Very high83 Ų8384 Ų8458%0.5843%0.431SS*.EExtended strand (participates in β ladder)trans-117126172.5-1700000108.8I117I117-S129 WeakPolarHBondContact CG2-OG 3.36Å
130M96.4Very high94.8Very high44 Ų4486.6 Ų86.622%0.21745%0.449CS..EExtended strand (participates in β ladder)trans-111.7119.5174.6-64.7-175.977.100108.2V95 R96 I117 V118 L122 F132V95-M130 HydrophobicContact CG1-SD 4.35Å; R96-M130 HydrophobicContact CG-CE 3.63Å; I117-M130 WeakPolarHBondContact CA-O 3.5Å; V118-M130 PolarHBondContact N-O 2.81Å; V118-M130 PolarHBondContact O-N 2.86Å; L122-M130 HydrophobicContact CD1-CG 3.58Å; L122-M130 HydrophobicContact CD1-SD 3.47Å; L122-M130 WeakPolarHBondContact CD1-SD 3.48Å; M130-F132 HydrophobicContact CB-CE2 3.71Å; M130-F132 HydrophobicContact CB-CZ 4.09Å; M130-F132 HydrophobicContact CE-CE1 4.38Å; M130-F132 HydrophobicContact CE-CE2 4.46Å; M130-F132 HydrophobicContact CE-CZ 3.69Å; M130-F132 HydrophobicContact SD-CZ 4.41Å
131K97.3Very high94.7Very high114 Ų11488.6 Ų88.650%0.49647%0.469SS..EExtended strand (participates in β ladder)trans-106.8125.2176.7173.6167.1168.5158.80108.7E115 I117 V133E115-K131 HydrophobicContact CG-CG 4.43Å; E115-K131 WeakPolarHBondContact OE1-CD 3.47Å; E115-K131 WeakPolarHBondContact OE1-CE 3.48Å; E115-K131 IonicContact OE1-NZ 3.1Å; E115-K131 PolarHBondContact OE1-NZ 3.48Å; E115-K131 IonicContact OE2-NZ 2.78Å; I117-K131 HydrophobicContact CG1-CB 4.13Å; I117-K131 HydrophobicContact CG1-CD 4.34Å; I117-K131 HydrophobicContact CG1-CG 4.04Å; K131-V133 HydrophobicContact CD-CG2 4.06Å; K131-V133 HydrophobicContact CG-CG2 3.65Å
132F97.5Very high94.7Very high13 Ų1390 Ų906%0.05748%0.481CS..EExtended strand (participates in β ladder)trans-115123.4174.8-55.8-92000107R96 C99 Y100 L103 E115 V116 M130R96-F132 HydrophobicContact CG-CE1 4.17Å; R96-F132 HydrophobicContact CG-CZ 4.04Å; C99-F132 HydrophobicContact CB-CD1 4.21Å; C99-F132 HydrophobicContact CB-CD2 3.53Å; C99-F132 HydrophobicContact CB-CE1 4.21Å; C99-F132 HydrophobicContact CB-CE2 3.54Å; C99-F132 HydrophobicContact CB-CG 3.88Å; C99-F132 HydrophobicContact CB-CZ 3.89Å; C99-F132 WeakPolarHBondContact SG-CE2 2.97Å; Y100-F132 HydrophobicContact CE1-CD1 4.12Å; Y100-F132 HydrophobicContact CE2-CD1 4.32Å; Y100-F132 HydrophobicContact CE2-CE1 4.04Å; Y100-F132 AromaticContact CZ-CD1 3.97Å; L103-F132 HydrophobicContact CD1-CB 3.76Å; E115-F132 CarbonylContact C-O 3.47Å; E115-F132 WeakPolarHBondContact CA-O 3.18Å; V116-F132 HydrophobicContact CB-CB 4.43Å; V116-F132 PolarHBondContact N-O 2.85Å; V116-F132 PolarHBondContact O-N 3.25Å; M130-F132 HydrophobicContact CB-CE2 3.71Å; M130-F132 HydrophobicContact CB-CZ 4.09Å; M130-F132 HydrophobicContact CE-CE1 4.38Å; M130-F132 HydrophobicContact CE-CE2 4.46Å; M130-F132 HydrophobicContact CE-CZ 3.69Å; M130-F132 HydrophobicContact SD-CZ 4.41Å
133V97.2Very high95Very high74 Ų7489.6 Ų89.645%0.44848%0.48SS..EExtended strand (participates in β ladder)trans-130142-176.8-171.40000108.4C114 E115 K131C114-V133 WeakPolarHBondContact O-CA 3.44Å; E115-V133 HydrophobicContact CG-CG2 4.19Å; K131-V133 HydrophobicContact CD-CG2 4.06Å; K131-V133 HydrophobicContact CG-CG2 3.65Å
134D97.3Very high95.4Very high73 Ų7379.4 Ų79.439%0.3945%0.446SS..EExtended strand (participates in β ladder)trans-148.9147.9170.7-165.53.7000110.1L103 M107 G113 C114L103-D134 HydrophobicContact CD1-CB 4.07Å; L103-D134 HydrophobicContact CD2-CB 3.31Å; L103-D134 VanDerWaalsContact CD2-OD2 3.27Å; L103-D134 WeakPolarHBondContact CD2-OD2 3.37Å; L103-D134 HydrophobicContact CG-CB 3.94Å; M107-D134 HydrophobicContact CG-CB 4.29Å; M107-D134 HydrophobicContact SD-CB 4.42Å; G113-D134 CarbonylContact C-O 3.54Å; G113-D134 WeakPolarHBondContact CA-O 3.15Å; C114-D134 PolarHBondContact N-O 2.83Å; C114-D134 PolarHBondContact O-N 2.81Å
135G96.6Very high95.6Very high46 Ų4683.6 Ų83.647%0.47446%0.46SS..EExtended strand (participates in β ladder)trans66.5-157.8-175.700000115.2
136L95.6Very high95.6Very high97 Ų9778.7 Ų78.751%0.50844%0.443SS..  trans-87.2135.9-178.4-179.665.6000111.1K112 G113 M169K112-L136 PolarHBondContact O-N 2.87Å; G113-L136 VanDerWaalsContact CA-O 3.26Å; G113-L136 WeakPolarHBondContact CA-O 3.34Å; L136-M169 HydrophobicContact CB-SD 4.11Å; L136-M169 HydrophobicContact CD2-CE 3.8Å; L136-M169 HydrophobicContact CD2-SD 4.03Å; L136-M169 HydrophobicContact CG-CE 4.21Å; L136-M169 HydrophobicContact CG-SD 3.79Å
137M96.3Very high95.7Very high23 Ų2368.8 Ų68.811%0.11341%0.406CS..  trans-140.8112.4175.1-173.861.859.100111.1E115 H139 I148 K167 M169E115-M137 HydrophobicContact CB-CE 4.14Å; M137-H139 PolarHBondContact O-CE1 3.36Å; M137-H139 PolarHBondContact O-ND1 2.96Å; M137-I148 HydrophobicContact SD-CD1 3.58Å; M137-I148 VanDerWaalsContact SD-CD1 3.58Å; M137-I148 HydrophobicContact SD-CG1 4.12Å; M137-I148 HydrophobicContact SD-CG2 4.48Å; M137-K167 HydrophobicContact CE-CB 4.11Å; M137-K167 HydrophobicContact SD-CB 4.23Å; M137-K167 HydrophobicContact SD-CD 4.37Å; M137-M169 HydrophobicContact CE-CB 4.07Å; M137-M169 HydrophobicContact SD-CB 4.33Å
138I95.4Very high95.7Very high37 Ų3766.4 Ų66.419%0.1938%0.384CS..  trans-78.4152.9172.962.8175.4000110.9P143 I148 M169 L184I138-P143 HydrophobicContact CD1-CB 3.77Å; I138-I148 HydrophobicContact CD1-CD1 4.42Å; I138-I148 HydrophobicContact CG1-CD1 3.46Å; I138-I148 VanDerWaalsContact CG1-CD1 3.46Å; I138-I148 HydrophobicContact CG1-CG1 4.02Å; I138-I148 WeakPolarHBondContact O-CD1 3.16Å; I138-M169 HydrophobicContact CG2-CE 4.09Å; I138-M169 HydrophobicContact CG2-SD 4.44Å; I138-L184 HydrophobicContact CD1-CD2 4.34Å
139H95.6Very high95.7Very high115 Ų11562.2 Ų62.253%0.53237%0.368SS..  trans-131.1-19.6-176.5-69.776.9000113.6E115 M137E115-H139 IonicContact OE2-NE2 3.94Å; M137-H139 PolarHBondContact O-CE1 3.36Å; M137-H139 PolarHBondContact O-ND1 2.96Å
140S95.4Very high95.7Very high101 Ų10165.1 Ų65.171%0.70637%0.37SS*.SBendtrans-123.9162.3-173.952.90000111.6T144S140-T144 PolarHBondContact O-OG1 3.14Å; S140-T144 VanDerWaalsContact O-OG1 3.12Å
141G95Very high95.7Very high56 Ų5663.2 Ų63.258%0.57736%0.362SS*.SBendtrans77.9167.9177.600000114.8P143 T144G141-P143 VanDerWaalsContact C-N 3.35Å; G141-T144 VanDerWaalsContact O-CB 3.29Å; G141-T144 WeakPolarHBondContact O-CB 3.12Å; G141-T144 PolarHBondContact O-N 3.36Å; G141-T144 PolarHBondContact O-OG1 3.38Å
142D94.1Very high95.6Very high117 Ų11761.4 Ų61.463%0.62636%0.36SS*.THydrogen-bonded Turntrans-60-30.4177.3-170.351.3000115.1T144 N145D142-T144 PolarHBondContact O-N 2.91Å; D142-N145 WeakPolarHBondContact O-CB 3.31Å; D142-N145 PolarHBondContact O-N 2.94Å; D142-N145 PolarHBondContact OD1-ND2 2.96Å
143P94.9Very high95.5Very high27 Ų2761.9 Ų61.918%0.17536%0.361CS..Hα-helixtrans-55.3-26.8175-27.836.2000113.3I138 G141 N145 S146 Y147 L184 P185I138-P143 HydrophobicContact CD1-CB 3.77Å; G141-P143 VanDerWaalsContact C-N 3.35Å; P143-N145 PolarHBondContact O-N 3.19Å; P143-S146 PolarHBondContact O-N 3.25Å; P143-S146 PolarHBondContact O-OG 3.37Å; P143-Y147 HydrophobicContact CB-CD2 4.17Å; P143-Y147 VanDerWaalsContact O-CB 3.29Å; P143-Y147 WeakPolarHBondContact O-CB 3.45Å; P143-Y147 PolarHBondContact O-N 3.5Å; P143-L184 HydrophobicContact CB-CD2 4.03Å; P143-P185 HydrophobicContact CG-CG 3.81Å
144T94.9Very high95.4Very high33 Ų3364.2 Ų64.220%0.20237%0.367CS..Hα-helixtrans-56.8-35.7174.4-62.80000112.5S140 G141 D142 I148S140-T144 PolarHBondContact O-OG1 3.14Å; S140-T144 VanDerWaalsContact O-OG1 3.12Å; G141-T144 VanDerWaalsContact O-CB 3.29Å; G141-T144 WeakPolarHBondContact O-CB 3.12Å; G141-T144 PolarHBondContact O-N 3.36Å; G141-T144 PolarHBondContact O-OG1 3.38Å; D142-T144 PolarHBondContact O-N 2.91Å; T144-I148 HydrophobicContact CG2-CD1 4.08Å; T144-I148 WeakPolarHBondContact O-CB 3.43Å; T144-I148 PolarHBondContact O-N 3.47Å
145N94Very high95.3Very high121 Ų12160.7 Ų60.765%0.64735%0.348SS*.Hα-helixtrans-72.9-28.7-178.4-64.8-36.6000113.1D142 P143D142-N145 WeakPolarHBondContact O-CB 3.31Å; D142-N145 PolarHBondContact O-N 2.94Å; D142-N145 PolarHBondContact OD1-ND2 2.96Å; P143-N145 PolarHBondContact O-N 3.19Å
146S93Very high95.1Very high57 Ų5763.8 Ų63.840%0.39936%0.358SS..Hα-helixtrans-101-34.2-175.449.90000113.2P143P143-S146 PolarHBondContact O-N 3.25Å; P143-S146 PolarHBondContact O-OG 3.37Å
147Y95.6Very high95Very high7 Ų762.1 Ų62.13%0.02735%0.349CS..Hα-helixtrans-90.4-26.3-178.7-84.7-95.2000113.9P143 M169 L170 H172 P180 K182 P183 L184P143-Y147 HydrophobicContact CB-CD2 4.17Å; P143-Y147 VanDerWaalsContact O-CB 3.29Å; P143-Y147 WeakPolarHBondContact O-CB 3.45Å; P143-Y147 PolarHBondContact O-N 3.5Å; Y147-M169 HydrophobicContact CD1-CE 4.32Å; Y147-L170 WeakPolarHBondContact CD1-O 3.45Å; Y147-L170 WeakPolarHBondContact O-CB 3.43Å; Y147-L170 WeakPolarHBondContact O-CG 3.27Å; Y147-L170 PolarHBondContact O-N 3.12Å; Y147-H172 HydrophobicContact CE1-CB 4.08Å; Y147-H172 PolarHBondContact OH-ND1 2.76Å; Y147-P180 HydrophobicContact CD1-CG 3.67Å; Y147-P180 HydrophobicContact CD2-CB 4.44Å; Y147-P180 HydrophobicContact CD2-CG 3.59Å; Y147-P180 HydrophobicContact CE1-CG 3.61Å; Y147-P180 HydrophobicContact CE2-CB 4.22Å; Y147-P180 HydrophobicContact CE2-CG 3.52Å; Y147-P180 HydrophobicContact CG-CG 3.68Å; Y147-K182 PolarHBondContact OH-O 3.01Å; Y147-P183 VanDerWaalsContact OH-C 3.26Å; Y147-P183 VanDerWaalsContact OH-CA 3.32Å; Y147-P183 WeakPolarHBondContact OH-CA 3.42Å; Y147-L184 HydrophobicContact CD1-CD2 4.27Å; Y147-L184 HydrophobicContact CD2-CD2 3.83Å; Y147-L184 HydrophobicContact CE1-CD2 4.1Å; Y147-L184 HydrophobicContact CE1-CG 4.15Å; Y147-L184 HydrophobicContact CE2-CD2 3.64Å; Y147-L184 HydrophobicContact CE2-CG 4.14Å; Y147-L184 HydrophobicContact CG-CD2 4.13Å; Y147-L184 PolarHBondContact OH-N 3.26Å; Y147-L184 VanDerWaalsContact OH-N 3.13Å
148I96.3Very high94.8Very high18 Ų1873.2 Ų73.29%0.09239%0.389CS..EExtended strand (participates in β ladder)trans-105.4111.6-174.9-61.7178.2000110.3M137 I138 T144 K167 I168M137-I148 HydrophobicContact SD-CD1 3.58Å; M137-I148 VanDerWaalsContact SD-CD1 3.58Å; M137-I148 HydrophobicContact SD-CG1 4.12Å; M137-I148 HydrophobicContact SD-CG2 4.48Å; I138-I148 HydrophobicContact CD1-CD1 4.42Å; I138-I148 HydrophobicContact CG1-CD1 3.46Å; I138-I148 VanDerWaalsContact CG1-CD1 3.46Å; I138-I148 HydrophobicContact CG1-CG1 4.02Å; I138-I148 WeakPolarHBondContact O-CD1 3.16Å; T144-I148 HydrophobicContact CG2-CD1 4.08Å; T144-I148 WeakPolarHBondContact O-CB 3.43Å; T144-I148 PolarHBondContact O-N 3.47Å; I148-K167 HydrophobicContact CG2-CB 4.01Å; I148-K167 HydrophobicContact CG2-CD 4.43Å; I148-K167 HydrophobicContact CG2-CG 4.39Å; I148-I168 WeakPolarHBondContact CA-O 3.44Å
149D95.1Very high94.5Very high50 Ų5076.9 Ų76.927%0.26741%0.406SS..EExtended strand (participates in β ladder)trans-83.9132.7163.4-171.116.1000109.4A78 K167 I168A78-D149 HydrophobicContact CB-CB 4.02Å; A78-D149 VanDerWaalsContact CB-CG 3.49Å; A78-D149 VanDerWaalsContact CB-OD2 3.31Å; A78-D149 WeakPolarHBondContact CB-OD2 3.38Å; A78-D149 PolarHBondContact N-OD2 2.98Å; D149-K167 CarbonylContact O-C 3.6Å; D149-K167 WeakPolarHBondContact O-CA 3.4Å; D149-I168 PolarHBondContact N-O 3.24Å; D149-I168 PolarHBondContact O-N 3.17Å
150K96.5Very high94.4Very high145 Ų14572.9 Ų72.963%0.6340%0.396SS*.EExtended strand (participates in β ladder)trans-132.2134.5-174.569.3-170.4178.1-167.90111V166 K167K150-V166 WeakPolarHBondContact CA-O 3.42Å; K150-K167 HydrophobicContact CB-CG 4.38Å
151A95.7Very high94.4Very high4 Ų472 Ų723%0.03339%0.386CS..EExtended strand (participates in β ladder)trans-134.3140.6175.100000111A78 I79 C82 K165 V166A78-A151 VanDerWaalsContact C-CB 3.46Å; A78-A151 HydrophobicContact CB-CB 3.85Å; A78-A151 WeakPolarHBondContact O-CB 3.38Å; I79-A151 HydrophobicContact CB-CB 4.45Å; I79-A151 HydrophobicContact CG1-CB 3.91Å; C82-A151 HydrophobicContact CB-CB 3.78Å; A151-K165 CarbonylContact O-C 3.55Å; A151-K165 WeakPolarHBondContact O-CA 3.29Å; A151-V166 PolarHBondContact N-O 3.13Å; A151-V166 PolarHBondContact O-N 3.21Å
152V96.2Very high94.5Very high76 Ų7669.5 Ų69.546%0.46136%0.36SS..EExtended strand (participates in β ladder)trans-123.3131.7173.1179.60000108.3I164 K165V152-I164 CarbonylContact C-O 3.59Å; V152-I164 VanDerWaalsContact CA-O 3.27Å; V152-I164 WeakPolarHBondContact CA-O 3.48Å; V152-K165 HydrophobicContact CG2-CB 4.22Å; V152-K165 HydrophobicContact CG2-CD 4.38Å; V152-K165 HydrophobicContact CG2-CG 3.98Å
153R94.6Very high94.6Very high22 Ų2264.6 Ų64.68%0.08334%0.337CS..EExtended strand (participates in β ladder)trans-136.8155.7176.5-65.1-63.3-177.8-93.85.8111.2M6 C82 E83 I164M6-R153 VanDerWaalsContact CE-NE 3.26Å; M6-R153 VanDerWaalsContact CE-NH1 3.35Å; M6-R153 VanDerWaalsContact CE-NH2 3.34Å; M6-R153 PolarHBondContact SD-NH2 2.99Å; C82-R153 HydrophobicContact CB-CG 3.98Å; C82-R153 VanDerWaalsContact SG-CB 3.55Å; C82-R153 WeakPolarHBondContact SG-CG 3.48Å; E83-R153 WeakPolarHBondContact OE1-CD 3.1Å; E83-R153 IonicContact OE1-CZ 2.97Å; E83-R153 IonicContact OE1-NE 3.28Å; E83-R153 PolarHBondContact OE1-NE 3.07Å; R153-I164 PolarHBondContact N-O 2.92Å; R153-I164 PolarHBondContact O-N 3.36Å
154H95.3Very high94.7Very high123 Ų12363.4 Ų63.457%0.56933%0.329SS*.EExtended strand (participates in β ladder)trans-108136176.7-58.6-65.9000109.7R86 V161 L162R86-H154 WeakPolarHBondContact CD-O 3.46Å; R86-H154 PolarHBondContact NE-O 3.47Å; H154-V161 HydrophobicContact CB-CG1 3.86Å; H154-L162 WeakPolarHBondContact CA-O 3.44Å
155V94.7Very high94.9Very high0 Ų065.7 Ų65.70%034%0.336CS..EExtended strand (participates in β ladder)trans-113120.8174.5-167.20000107.9R86 L89 I90 L157 V161 L162 I164R86-V155 HydrophobicContact CB-CG2 4.08Å; R86-V155 HydrophobicContact CG-CG1 4.47Å; R86-V155 HydrophobicContact CG-CG2 4.02Å; L89-V155 HydrophobicContact CB-CG1 4.27Å; L89-V155 HydrophobicContact CD1-CG2 4.24Å; I90-V155 HydrophobicContact CD1-CG1 4.22Å; I90-V155 HydrophobicContact CG1-CG1 3.61Å; V155-L157 HydrophobicContact CG1-CD2 4.26Å; V155-L157 HydrophobicContact CG1-CG 4.14Å; V155-V161 CarbonylContact O-C 3.55Å; V155-V161 VanDerWaalsContact O-CA 3.3Å; V155-V161 WeakPolarHBondContact O-CA 3.25Å; V155-L162 HydrophobicContact CB-CB 4.26Å; V155-L162 PolarHBondContact N-O 3.44Å; V155-L162 PolarHBondContact O-N 2.97Å; V155-I164 HydrophobicContact CG2-CD1 3.19Å; V155-I164 HydrophobicContact CG2-CG1 3.73Å
156V94Very high95.1Very high111 Ų11160 Ų6067%0.67331%0.305SS*.EExtended strand (participates in β ladder)trans-86.7116.5173.7-174.50000107.6V161V156-V161 HydrophobicContact CG2-CG2 4.48Å
157L93Very high95.3Very high61 Ų6158.7 Ų58.732%0.31929%0.292SS..EExtended strand (participates in β ladder)trans-118.1165.9172.7-67.8176.2000109.1V155 Q159 G160 L162V155-L157 HydrophobicContact CG1-CD2 4.26Å; V155-L157 HydrophobicContact CG1-CG 4.14Å; L157-Q159 PolarHBondContact O-N 3.03Å; L157-G160 CarbonylContact C-O 3.56Å; L157-G160 WeakPolarHBondContact CA-O 3.48Å; L157-G160 PolarHBondContact N-O 3.49Å; L157-G160 PolarHBondContact O-N 3.22Å; L157-L162 HydrophobicContact CD1-CD1 3.41Å; L157-L162 VanDerWaalsContact CD1-CD1 3.41Å; L157-L162 HydrophobicContact CD1-CG 3.87Å
158R91Very high95.4Very high256 Ų25658.3 Ų58.397%0.96629%0.291SS*.THydrogen-bonded Turntrans-56.9-32.8178.8-179.4175.5163.9156.5-2.5113.7G160R158-G160 VanDerWaalsContact C-N 3.32Å
159Q90Very high95.5Very high114 Ų11457.6 Ų57.653%0.53329%0.287SS..THydrogen-bonded Turntrans-80.3-10.3179.4-66.5-170.42.900113.9L157L157-Q159 PolarHBondContact O-N 3.03Å
160G92.9Very high95.5Very high32 Ų3256.5 Ų56.533%0.3328%0.281SS..EExtended strand (participates in β ladder)trans136.6-160.3-173.800000112.1L157 R158L157-G160 CarbonylContact C-O 3.56Å; L157-G160 WeakPolarHBondContact CA-O 3.48Å; L157-G160 PolarHBondContact N-O 3.49Å; L157-G160 PolarHBondContact O-N 3.22Å; R158-G160 VanDerWaalsContact C-N 3.32Å
161V96Very high95.4Very high82 Ų8250.4 Ų50.450%0.49726%0.257SS..EExtended strand (participates in β ladder)trans-100.4131.6-177.3-176.20000110.7H154 V155 V156H154-V161 HydrophobicContact CB-CG1 3.86Å; V155-V161 CarbonylContact O-C 3.55Å; V155-V161 VanDerWaalsContact O-CA 3.3Å; V155-V161 WeakPolarHBondContact O-CA 3.25Å; V156-V161 HydrophobicContact CG2-CG2 4.48Å
162L96.4Very high95.3Very high4 Ų452.7 Ų52.72%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-96.5140.6165.2-61-178.1000110.1V118 S119 L122 H154 V155 L157V118-L162 HydrophobicContact CG1-CD1 4.31Å; S119-L162 CarbonylContact O-C 3.57Å; S119-L162 WeakPolarHBondContact O-CA 3.44Å; L122-L162 HydrophobicContact CD2-CD1 4.1Å; L122-L162 HydrophobicContact CD2-CD2 4.07Å; H154-L162 WeakPolarHBondContact CA-O 3.44Å; V155-L162 HydrophobicContact CB-CB 4.26Å; V155-L162 PolarHBondContact N-O 3.44Å; V155-L162 PolarHBondContact O-N 2.97Å; L157-L162 HydrophobicContact CD1-CD1 3.41Å; L157-L162 VanDerWaalsContact CD1-CD1 3.41Å; L157-L162 HydrophobicContact CD1-CG 3.87Å
163G97.3Very high95.1Very high14 Ų1450.2 Ų50.214%0.14425%0.25CS..EExtended strand (participates in β ladder)trans-97.2122.4168.300000110.6S119S119-G163 PolarHBondContact N-O 3.2Å; S119-G163 PolarHBondContact O-N 2.98Å; S119-G163 PolarHBondContact OG-O 2.82Å
164I97.3Very high94.9Very high1 Ų153.7 Ų53.71%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-100.8135.1169.6-56.5163.3000108.2C82 L85 R86 L89 I117 V152 R153 V155 V166C82-I164 VanDerWaalsContact SG-CG2 3.52Å; L85-I164 HydrophobicContact CB-CD1 4.09Å; L85-I164 HydrophobicContact CB-CG2 4.44Å; L85-I164 HydrophobicContact CD2-CD1 4.47Å; L85-I164 HydrophobicContact CD2-CG2 3.54Å; L85-I164 HydrophobicContact CG-CD1 3.93Å; L85-I164 HydrophobicContact CG-CG1 4.42Å; L85-I164 HydrophobicContact CG-CG2 4.14Å; R86-I164 HydrophobicContact CB-CD1 3.97Å; L89-I164 HydrophobicContact CD1-CD1 4Å; L89-I164 HydrophobicContact CD1-CG1 4.16Å; I117-I164 CarbonylContact O-C 3.58Å; I117-I164 WeakPolarHBondContact O-CA 3.32Å; V152-I164 CarbonylContact C-O 3.59Å; V152-I164 VanDerWaalsContact CA-O 3.27Å; V152-I164 WeakPolarHBondContact CA-O 3.48Å; R153-I164 PolarHBondContact N-O 2.92Å; R153-I164 PolarHBondContact O-N 3.36Å; V155-I164 HydrophobicContact CG2-CD1 3.19Å; V155-I164 HydrophobicContact CG2-CG1 3.73Å; I164-V166 HydrophobicContact CG2-CG2 3.97Å
165K98Very high94.7Very high82 Ų8255.3 Ų55.336%0.35728%0.281SS..EExtended strand (participates in β ladder)trans-128.5123.8167.7178.7175.3-174178.10108.9V116 I117 A151 V152V116-K165 CarbonylContact C-O 3.6Å; V116-K165 WeakPolarHBondContact CA-O 3.46Å; I117-K165 HydrophobicContact CB-CB 4.27Å; I117-K165 HydrophobicContact CD1-CD 4.26Å; I117-K165 PolarHBondContact N-O 3.4Å; I117-K165 PolarHBondContact O-N 2.95Å; A151-K165 CarbonylContact O-C 3.55Å; A151-K165 WeakPolarHBondContact O-CA 3.29Å; V152-K165 HydrophobicContact CG2-CB 4.22Å; V152-K165 HydrophobicContact CG2-CD 4.38Å; V152-K165 HydrophobicContact CG2-CG 3.98Å
166V97.8Very high94.3Very high0 Ų056.8 Ų56.80%030%0.297CS..EExtended strand (participates in β ladder)trans-115130.5174.8-1800000107.9Q81 C82 I106 E115 V116 K150 A151 I164 I168Q81-V166 HydrophobicContact CB-CG1 4.5Å; C82-V166 HydrophobicContact CB-CB 4.29Å; C82-V166 HydrophobicContact CB-CG2 3.89Å; I106-V166 HydrophobicContact CD1-CG1 4.29Å; E115-V166 CarbonylContact O-C 3.57Å; E115-V166 WeakPolarHBondContact O-CA 3.5Å; V116-V166 HydrophobicContact CG1-CG2 4.41Å; V116-V166 HydrophobicContact CG2-CG1 4.44Å; V116-V166 HydrophobicContact CG2-CG2 4.37Å; K150-V166 WeakPolarHBondContact CA-O 3.42Å; A151-V166 PolarHBondContact N-O 3.13Å; A151-V166 PolarHBondContact O-N 3.21Å; I164-V166 HydrophobicContact CG2-CG2 3.97Å; V166-I168 HydrophobicContact CG1-CD1 4.26Å; V166-I168 HydrophobicContact CG1-CG1 3.92Å
167K98Very high94Very high30 Ų3058 Ų5813%0.1330%0.298CS..EExtended strand (participates in β ladder)trans-121134.7166.8-58.4-179.1-167.7160.90108.6C114 E115 M137 I148 D149 K150C114-K167 WeakPolarHBondContact CA-O 3.47Å; E115-K167 HydrophobicContact CB-CB 4.24Å; E115-K167 PolarHBondContact N-O 2.89Å; E115-K167 PolarHBondContact O-N 3.44Å; E115-K167 IonicContact OE1-NZ 3.18Å; E115-K167 WeakPolarHBondContact OE2-CD 3.26Å; E115-K167 WeakPolarHBondContact OE2-CE 3.15Å; E115-K167 IonicContact OE2-NZ 3.44Å; E115-K167 PolarHBondContact OE2-NZ 3.3Å; M137-K167 HydrophobicContact CE-CB 4.11Å; M137-K167 HydrophobicContact SD-CB 4.23Å; M137-K167 HydrophobicContact SD-CD 4.37Å; I148-K167 HydrophobicContact CG2-CB 4.01Å; I148-K167 HydrophobicContact CG2-CD 4.43Å; I148-K167 HydrophobicContact CG2-CG 4.39Å; D149-K167 CarbonylContact O-C 3.6Å; D149-K167 WeakPolarHBondContact O-CA 3.4Å; K150-K167 HydrophobicContact CB-CG 4.38Å
168I97.6Very high93.7Very high0 Ų057.6 Ų57.60%030%0.296CS..EExtended strand (participates in β ladder)trans-124.4123.4177.5-55-177.1000107.4L76 A78 Q81 I106 A111 I148 D149 V166L76-I168 HydrophobicContact CD2-CG2 4.5Å; A78-I168 HydrophobicContact CB-CD1 4.22Å; A78-I168 HydrophobicContact CB-CG1 4.25Å; Q81-I168 HydrophobicContact CB-CD1 4.43Å; Q81-I168 HydrophobicContact CG-CD1 4.06Å; I106-I168 HydrophobicContact CD1-CD1 3.76Å; I106-I168 HydrophobicContact CD1-CG1 4.1Å; I106-I168 HydrophobicContact CG1-CD1 4.02Å; I106-I168 HydrophobicContact CG2-CD1 4.08Å; I106-I168 HydrophobicContact CG2-CG1 4.16Å; I106-I168 HydrophobicContact CG2-CG2 3.81Å; A111-I168 HydrophobicContact CB-CG2 3.85Å; I148-I168 WeakPolarHBondContact CA-O 3.44Å; D149-I168 PolarHBondContact N-O 3.24Å; D149-I168 PolarHBondContact O-N 3.17Å; V166-I168 HydrophobicContact CG1-CD1 4.26Å; V166-I168 HydrophobicContact CG1-CG1 3.92Å
169M97.1Very high93.6Very high3 Ų346 Ų462%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-85.4110.8170.4-174.4176.4177.300108.5K112 G113 L136 M137 I138 Y147 L184K112-M169 HydrophobicContact CB-CB 4.39Å; K112-M169 HydrophobicContact CB-CG 4.04Å; K112-M169 HydrophobicContact CB-SD 4.14Å; K112-M169 PolarHBondContact N-O 3.06Å; G113-M169 PolarHBondContact O-N 3.34Å; L136-M169 HydrophobicContact CB-SD 4.11Å; L136-M169 HydrophobicContact CD2-CE 3.8Å; L136-M169 HydrophobicContact CD2-SD 4.03Å; L136-M169 HydrophobicContact CG-CE 4.21Å; L136-M169 HydrophobicContact CG-SD 3.79Å; M137-M169 HydrophobicContact CE-CB 4.07Å; M137-M169 HydrophobicContact SD-CB 4.33Å; I138-M169 HydrophobicContact CG2-CE 4.09Å; I138-M169 HydrophobicContact CG2-SD 4.44Å; Y147-M169 HydrophobicContact CD1-CE 4.32Å; M169-L184 HydrophobicContact CE-CD1 4.1Å; M169-L184 HydrophobicContact CE-CD2 4.49Å
170L95.9Very high93.7Very high27 Ų2741.6 Ų41.614%0.14124%0.237CC..PPolyproline II helixtrans-67.3146.7-179.4-60.8175.1000110.9L76 Y147L76-L170 HydrophobicContact CB-CD2 3.93Å; L76-L170 HydrophobicContact CD2-CD2 4.36Å; Y147-L170 WeakPolarHBondContact CD1-O 3.45Å; Y147-L170 WeakPolarHBondContact O-CB 3.43Å; Y147-L170 WeakPolarHBondContact O-CG 3.27Å; Y147-L170 PolarHBondContact O-N 3.12Å
171P95.2Very high93.8Very high17 Ų1746.8 Ų46.811%0.1125%0.251CS..PPolyproline II helixtrans-69.2148.6170.330.7-34000110.7L76 Q110 K112 D173 L178 G179L76-P171 HydrophobicContact CD1-CG 4.38Å; Q110-P171 WeakPolarHBondContact O-CG 3.37Å; K112-P171 HydrophobicContact CG-CB 4.43Å; P171-D173 PolarHBondContact O-N 2.9Å; P171-L178 HydrophobicContact CG-CB 4.3Å; P171-G179 WeakPolarHBondContact O-CA 3.46Å
172H93.7Very high93.6Very high51 Ų5151.1 Ų51.124%0.23626%0.263CS..PPolyproline II helixtrans-72.1127.1168.4173.764.2000109.6Y147 P180 K181 K182 P183Y147-H172 HydrophobicContact CE1-CB 4.08Å; Y147-H172 PolarHBondContact OH-ND1 2.76Å; H172-P180 PolarHBondContact ND1-O 3.38Å; H172-K181 PolarHBondContact CE1-O 3.31Å; H172-K182 PolarHBondContact ND1-O 3.27Å; H172-P183 VanDerWaalsContact CE1-CA 3.44Å; H172-P183 WeakPolarHBondContact CE1-CA 3.28Å; H172-P183 VanDerWaalsContact CE1-N 3.26Å
173D91.2Very high93.4Very high24 Ų2454.2 Ų54.213%0.12828%0.283CS..  trans-131.6118.3178.8175.115.9000109.6P171 K175 G176 I177 L178 P180 K181P171-D173 PolarHBondContact O-N 2.9Å; D173-K175 PolarHBondContact O-N 3.48Å; D173-K175 WeakPolarHBondContact OD1-CB 3.39Å; D173-K175 PolarHBondContact OD1-N 3.41Å; D173-G176 PolarHBondContact O-N 3.12Å; D173-G176 PolarHBondContact OD2-N 2.93Å; D173-I177 PolarHBondContact OD2-N 3.03Å; D173-L178 HydrophobicContact CB-CB 4.35Å; D173-L178 PolarHBondContact OD2-N 3.44Å; D173-P180 PolarHBondContact N-O 2.89Å; D173-K181 WeakPolarHBondContact O-CA 3.29Å
174P90.9Very high93.3Very high95 Ų9555.2 Ų55.262%0.61729%0.285SS*.THydrogen-bonded Turntrans-61.8-26.1178.225.2-34.2000112.9G176P174-G176 VanDerWaalsContact C-N 3.34Å
175K90.4Very high93.1Very high157 Ų15760.5 Ų60.568%0.68332%0.319SS*.THydrogen-bonded Turntrans-76.5-24.4176.2-64.6-177.3178.8-179.90112.3D173 I177 K181D173-K175 PolarHBondContact O-N 3.48Å; D173-K175 WeakPolarHBondContact OD1-CB 3.39Å; D173-K175 PolarHBondContact OD1-N 3.41Å; K175-I177 HydrophobicContact CB-CD1 4.1Å; K175-I177 HydrophobicContact CB-CG1 4.1Å; K175-I177 HydrophobicContact CD-CD1 4.34Å; K175-K181 WeakPolarHBondContact O-CE 3.34Å
176G86.5Confident92.8Very high32 Ų3262.6 Ų62.633%0.3334%0.335SS..SBendtrans76.423.1-179.900000114.5D173 P174 G179 K181D173-G176 PolarHBondContact O-N 3.12Å; D173-G176 PolarHBondContact OD2-N 2.93Å; P174-G176 VanDerWaalsContact C-N 3.34Å; G176-G179 CarbonylContact C-O 3.55Å; G176-G179 VanDerWaalsContact CA-O 3.31Å; G176-G179 WeakPolarHBondContact CA-O 3.4Å; G176-K181 VanDerWaalsContact CA-CG 3.46Å
177I87.1Confident92.4Very high136 Ų13665.7 Ų65.770%0.69736%0.356SS*.SBendtrans-88.6-45.2-179.1-59171.5000109.7D173 K175D173-I177 PolarHBondContact OD2-N 3.03Å; K175-I177 HydrophobicContact CB-CD1 4.1Å; K175-I177 HydrophobicContact CB-CG1 4.1Å; K175-I177 HydrophobicContact CD-CD1 4.34Å
178L87.5Confident92.1Very high53 Ų5371.2 Ų71.228%0.27739%0.386SS..SBendtrans-94.4-20.2-175.1-60.3-176.3000114Q73 L76 P171 D173Q73-L178 HydrophobicContact CB-CD2 4.2Å; L76-L178 HydrophobicContact CD1-CB 4.09Å; L76-L178 HydrophobicContact CD1-CD2 4.23Å; P171-L178 HydrophobicContact CG-CB 4.3Å; D173-L178 HydrophobicContact CB-CB 4.35Å; D173-L178 PolarHBondContact OD2-N 3.44Å
179G89.1Confident91.7Very high13 Ų1379 Ų7913%0.13442%0.415CS..SBendtrans-172.6-169.1-175.600000111.8P171 G176P171-G179 WeakPolarHBondContact O-CA 3.46Å; G176-G179 CarbonylContact C-O 3.55Å; G176-G179 VanDerWaalsContact CA-O 3.31Å; G176-G179 WeakPolarHBondContact CA-O 3.4Å
180P92.8Very high91.5Very high20 Ų2085.3 Ų85.313%0.1345%0.453CS..  trans-69.7137.3-172.625.9-33.4000112.9Y147 H172 D173 K182Y147-P180 HydrophobicContact CD1-CG 3.67Å; Y147-P180 HydrophobicContact CD2-CB 4.44Å; Y147-P180 HydrophobicContact CD2-CG 3.59Å; Y147-P180 HydrophobicContact CE1-CG 3.61Å; Y147-P180 HydrophobicContact CE2-CB 4.22Å; Y147-P180 HydrophobicContact CE2-CG 3.52Å; Y147-P180 HydrophobicContact CG-CG 3.68Å; H172-P180 PolarHBondContact ND1-O 3.38Å; D173-P180 PolarHBondContact N-O 2.89Å; P180-K182 VanDerWaalsContact C-N 3.34Å
181K93.5Very high91.3Very high141 Ų14192.4 Ų92.461%0.61348%0.484SS*.SBendtrans-68.1-28.4176-68.1-175.2176.7-179.30114.1H172 D173 K175 G176H172-K181 PolarHBondContact CE1-O 3.31Å; D173-K181 WeakPolarHBondContact O-CA 3.29Å; K175-K181 WeakPolarHBondContact O-CE 3.34Å; G176-K181 VanDerWaalsContact CA-CG 3.46Å
182K92.4Very high91.2Very high174 Ų174100.2 Ų100.276%0.75752%0.518SS*.SBendtrans-81.8128.3178.7-65.8-176.7-179.1-179.40108.1Y147 H172 P180Y147-K182 PolarHBondContact OH-O 3.01Å; H172-K182 PolarHBondContact ND1-O 3.27Å; P180-K182 VanDerWaalsContact C-N 3.34Å
183P93.1Very high91.2Very high69 Ų69103.5 Ų103.545%0.44854%0.544SS..PPolyproline II helixtrans-65.7166.617329.5-34.1000110.3Y147 H172Y147-P183 VanDerWaalsContact OH-C 3.26Å; Y147-P183 VanDerWaalsContact OH-CA 3.32Å; Y147-P183 WeakPolarHBondContact OH-CA 3.42Å; H172-P183 VanDerWaalsContact CE1-CA 3.44Å; H172-P183 WeakPolarHBondContact CE1-CA 3.28Å; H172-P183 VanDerWaalsContact CE1-N 3.26Å
184L93.7Very high91.2Very high35 Ų35111.5 Ų111.518%0.18358%0.578CS.*PPolyproline II helixtrans-60.9141.7171.1-68169.2000109.2I138 P143 Y147 M169 D186 S187I138-L184 HydrophobicContact CD1-CD2 4.34Å; P143-L184 HydrophobicContact CB-CD2 4.03Å; Y147-L184 HydrophobicContact CD1-CD2 4.27Å; Y147-L184 HydrophobicContact CD2-CD2 3.83Å; Y147-L184 HydrophobicContact CE1-CD2 4.1Å; Y147-L184 HydrophobicContact CE1-CG 4.15Å; Y147-L184 HydrophobicContact CE2-CD2 3.64Å; Y147-L184 HydrophobicContact CE2-CG 4.14Å; Y147-L184 HydrophobicContact CG-CD2 4.13Å; Y147-L184 PolarHBondContact OH-N 3.26Å; Y147-L184 VanDerWaalsContact OH-N 3.13Å; M169-L184 HydrophobicContact CE-CD1 4.1Å; M169-L184 HydrophobicContact CE-CD2 4.49Å; L184-D186 VanDerWaalsContact CB-OD1 3.25Å; L184-D186 WeakPolarHBondContact CB-OD1 3.43Å; L184-D186 PolarHBondContact O-N 3.1Å; L184-S187 WeakPolarHBondContact O-CB 3.39Å; L184-S187 PolarHBondContact O-N 2.77Å
185P92.7Very high91.1Very high111 Ų111116.4 Ų116.472%0.72159%0.593SS**THydrogen-bonded Turntrans-64.9-22.6-171.526.8-35.5000113.6P143P143-P185 HydrophobicContact CG-CG 3.81Å
186D92.7Very high90.8Very high126 Ų126117.3 Ų117.367%0.67460%0.599SS**THydrogen-bonded Turntrans-91.8-8.4176.656.7-27.5000113.3L184 I188L184-D186 VanDerWaalsContact CB-OD1 3.25Å; L184-D186 WeakPolarHBondContact CB-OD1 3.43Å; L184-D186 PolarHBondContact O-N 3.1Å; D186-I188 PolarHBondContact O-N 3.43Å
187S89.6Confident90.5Very high65 Ų65121.4 Ų121.446%0.45562%0.62SS.*  trans-86.196.6-178.7-1700000111.3L184L184-S187 WeakPolarHBondContact O-CB 3.39Å; L184-S187 PolarHBondContact O-N 2.77Å
188I91.8Very high90.1Very high147 Ų147121 Ų12175%0.75462%0.623SS**  trans-91.9125.4174.6-54.5172.7000109D186D186-I188 PolarHBondContact O-N 3.43Å
189R89.7Confident89.2Confident164 Ų164123.7 Ų123.762%0.61965%0.646SS**  trans-95.8112.3171.1-69.8-174.5-179.2-178.21.3109.1
190V93.1Very high88.1Confident134 Ų134131 Ų13181%0.81268%0.681SS**PPolyproline II helixtrans-87119.7170.3-175.50000107.3
191F91.6Very high86.4Confident177 Ų177141.3 Ų141.378%0.77673%0.734SS**PPolyproline II helixtrans-80.8141.3175.7-66.3-81.8000109.7
192E93.2Very high86.1Confident180 Ų180141.3 Ų141.384%0.84174%0.74SS**PPolyproline II helixtrans-63.9141.5172.3-69.4178.5173.700109.8
193P92.5Very high85.8Confident120 Ų120139.6 Ų139.678%0.77974%0.739SS**PPolyproline II helixtrans-61.8147.5176.927.5-33.7000109.7
194K92.3Very high85.3Confident192 Ų192143.5 Ų143.584%0.83576%0.755SS**PPolyproline II helixtrans-66.7139.9170.9-64178.7-178.6177.40108.1E196K194-E196 PolarHBondContact O-N 3.09Å; K194-E196 VanDerWaalsContact O-N 3.09Å
195E87.9Confident84.9Confident199 Ų199149.9 Ų149.993%0.9379%0.788SS**  trans-60.4114.8171.8-69.4-177.4170.400109
196E83.9Confident84.4Confident175 Ų175152.3 Ų152.382%0.81879%0.793SS**  trans-81.9138.6174.6-67.3-173.2168.500109.3K194 V198K194-E196 PolarHBondContact O-N 3.09Å; K194-E196 VanDerWaalsContact O-N 3.09Å; E196-V198 PolarHBondContact O-N 3.05Å
197P81Confident83.8Confident118 Ų118154.1 Ų154.177%0.76680%0.801SS**  trans-61.6132174.826.5-32.6000109.3C199P197-C199 PolarHBondContact O-N 3.34Å
198V77.9Confident83.4Confident127 Ų127160.4 Ų160.477%0.7783%0.825SS**  trans-56.6115178-174.60000108.5E196 L200E196-V198 PolarHBondContact O-N 3.05Å; V198-L200 PolarHBondContact O-N 3.14Å
199C68.5Low82.8Confident111 Ų111161.5 Ų161.575%0.7583%0.831SS**  trans-64.899.9169.1-77.50000108.3P197 L201P197-C199 PolarHBondContact O-N 3.34Å; C199-L201 PolarHBondContact O-N 2.93Å; C199-L201 VanDerWaalsContact O-N 3.14Å
200L66.1Low82.2Confident165 Ų165161.3 Ų161.386%0.86485%0.848SS**  trans-69.1102.5164.8-66169.9000107V198V198-L200 PolarHBondContact O-N 3.14Å
201L58.2Low81.2Confident237 Ų237163.7 Ų163.7100%1.24185%0.852SS**  trans-87.70166.7-71173.9000109.7C199C199-L201 PolarHBondContact O-N 2.93Å; C199-L201 VanDerWaalsContact O-N 3.14Å

Retrieved 201 of 201 residues in 56.1 ms (Link to these results)

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