A0A077ZB86_TRITR Loading...

GCV T domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZB86, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 293 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
1M76.2Confident93.1Very high161 Ų16147.6 Ų47.679%0.79322%0.215SC*.  0145.20-78.4-178.2-94.200108.4N142M1-N142 HydrophobicContact CB-CB 4.45Å; M1-N142 PolarHBondContact O-ND2 2.91Å
2A88.3Confident93.4Very high2 Ų249.6 Ų49.62%0.01722%0.219CC..BIsolated β-bridgetrans-79.8152.1177.300000110.1Y104 W105 F106 P139 D141 N142A2-Y104 HydrophobicContact CB-CD1 4.23Å; A2-W105 CarbonylContact C-O 3.58Å; A2-W105 WeakPolarHBondContact CA-O 3.49Å; A2-F106 HydrophobicContact CB-CD2 4.4Å; A2-F106 HydrophobicContact CB-CE1 4.13Å; A2-F106 HydrophobicContact CB-CE2 3.58Å; A2-F106 HydrophobicContact CB-CZ 3.43Å; A2-F106 VanDerWaalsContact CB-CZ 3.43Å; A2-P139 HydrophobicContact CB-CB 3.81Å; A2-P139 HydrophobicContact CB-CG 3.4Å; A2-D141 WeakPolarHBondContact O-CA 3.17Å; A2-N142 PolarHBondContact O-N 3.05Å; A2-N142 PolarHBondContact O-ND2 3.46Å; A2-N142 VanDerWaalsContact O-ND2 3.07Å
3C92.1Very high93.7Very high6 Ų645.8 Ų45.84%0.04120%0.203CC..EExtended strand (participates in β ladder)trans-118122.7165.5178.80000109.4L5 Y104 W105 D141 N142 G144C3-L5 PolarHBondContact O-N 3.24Å; C3-Y104 CarbonylContact O-C 3.5Å; C3-Y104 WeakPolarHBondContact O-CA 3.49Å; C3-W105 HydrophobicContact CB-CB 4.28Å; C3-W105 HydrophobicContact CB-CE3 3.94Å; C3-W105 PolarHBondContact N-O 3.29Å; C3-W105 PolarHBondContact O-N 3.33Å; C3-D141 WeakPolarHBondContact CA-OD1 3.29Å; C3-N142 VanDerWaalsContact CB-OD1 3.27Å; C3-N142 WeakPolarHBondContact CB-OD1 3.4Å; C3-G144 WeakPolarHBondContact SG-CA 3.43Å
4W93.9Very high93.8Very high77 Ų7746.4 Ų46.429%0.29221%0.212SC..EExtended strand (participates in β ladder)trans-72.9117.6173.4-179.925.4000110.7K6 Q102 Y104 D141W4-K6 VanDerWaalsContact C-N 3.31Å; W4-K6 HydrophobicContact CD2-CD 4.4Å; W4-K6 HydrophobicContact CD2-CG 3.48Å; W4-K6 VanDerWaalsContact CD2-CG 3.48Å; W4-K6 HydrophobicContact CE3-CD 3.96Å; W4-K6 HydrophobicContact CE3-CG 3.52Å; W4-K6 HydrophobicContact CG-CG 4.03Å; W4-K6 HydrophobicContact CH2-CG 4.01Å; W4-K6 HydrophobicContact CZ2-CG 3.99Å; W4-K6 HydrophobicContact CZ3-CD 4.04Å; W4-K6 HydrophobicContact CZ3-CG 3.79Å; W4-K6 PolarHBondContact O-N 3.3Å; W4-Q102 VanDerWaalsContact NE1-OE1 3.15Å; W4-Y104 HydrophobicContact CB-CD1 3.86Å; W4-Y104 HydrophobicContact CB-CE1 3.66Å; W4-Y104 HydrophobicContact CG-CD1 4.46Å; W4-Y104 AromaticContact CG-CE1 3.99Å; W4-Y104 HydrophobicContact CG-CE1 3.99Å; W4-D141 PolarHBondContact N-OD1 2.65Å
5L95Very high93.9Very high6 Ų644.1 Ų44.13%0.03121%0.205CC..  trans-82.177.4176.4-55.3-174.1000110.3C3 N7 R8 V103 W105 K147C3-L5 PolarHBondContact O-N 3.24Å; L5-N7 PolarHBondContact O-N 3Å; L5-N7 VanDerWaalsContact O-N 3.09Å; L5-R8 HydrophobicContact CB-CB 4.05Å; L5-R8 HydrophobicContact CB-CG 3.67Å; L5-R8 HydrophobicContact CD1-CG 4.14Å; L5-R8 WeakPolarHBondContact O-CB 3.22Å; L5-R8 PolarHBondContact O-N 2.66Å; L5-V103 HydrophobicContact CB-CB 4.47Å; L5-V103 HydrophobicContact CD1-CG1 3.95Å; L5-V103 PolarHBondContact N-O 3.33Å; L5-W105 HydrophobicContact CD1-CB 4.22Å; L5-W105 HydrophobicContact CD2-CB 3.88Å; L5-W105 HydrophobicContact CG-CB 4.14Å; L5-K147 HydrophobicContact CD2-CD 4.38Å
6K93Very high93.9Very high130 Ų13046.9 Ų46.957%0.56523%0.229SC*.THydrogen-bonded Turntrans-56.8-25.7-177-65.6171.8-172166.70114.3W4 R8W4-K6 VanDerWaalsContact C-N 3.31Å; W4-K6 HydrophobicContact CD2-CD 4.4Å; W4-K6 HydrophobicContact CD2-CG 3.48Å; W4-K6 VanDerWaalsContact CD2-CG 3.48Å; W4-K6 HydrophobicContact CE3-CD 3.96Å; W4-K6 HydrophobicContact CE3-CG 3.52Å; W4-K6 HydrophobicContact CG-CG 4.03Å; W4-K6 HydrophobicContact CH2-CG 4.01Å; W4-K6 HydrophobicContact CZ2-CG 3.99Å; W4-K6 HydrophobicContact CZ3-CD 4.04Å; W4-K6 HydrophobicContact CZ3-CG 3.79Å; W4-K6 PolarHBondContact O-N 3.3Å; K6-R8 VanDerWaalsContact C-N 3.26Å
7N94.2Very high94Very high56 Ų5647 Ų4730%0.29923%0.231SC..THydrogen-bonded Turntrans-831.7176.468.2-42.7000113.1L5 D73 S74L5-N7 PolarHBondContact O-N 3Å; L5-N7 VanDerWaalsContact O-N 3.09Å; N7-D73 CarbonylContact O-C 3.6Å; N7-D73 VanDerWaalsContact O-CA 3.3Å; N7-D73 WeakPolarHBondContact O-CA 3.45Å; N7-S74 PolarHBondContact O-N 2.82Å; N7-S74 PolarHBondContact O-OG 3.28Å
8R97Very high94.1Very high1 Ų144.4 Ų44.40%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-113.8143.6-179.3-53.7-57.7-66-176.32.5110.7L5 K6 D55 E71 C72 V103L5-R8 HydrophobicContact CB-CB 4.05Å; L5-R8 HydrophobicContact CB-CG 3.67Å; L5-R8 HydrophobicContact CD1-CG 4.14Å; L5-R8 WeakPolarHBondContact O-CB 3.22Å; L5-R8 PolarHBondContact O-N 2.66Å; K6-R8 VanDerWaalsContact C-N 3.26Å; R8-D55 IonicContact CZ-OD2 3.78Å; R8-D55 IonicContact NH1-OD1 3.65Å; R8-D55 IonicContact NH1-OD2 3.74Å; R8-D55 PolarHBondContact NH1-OD2 3.11Å; R8-D55 PolarHBondContact NH2-O 3.23Å; R8-D55 IonicContact NH2-OD2 3.6Å; R8-E71 HydrophobicContact CB-CG 4.07Å; R8-E71 WeakPolarHBondContact CG-OE1 3.45Å; R8-E71 IonicContact CZ-OE1 2.75Å; R8-E71 IonicContact NE-OE1 3.31Å; R8-E71 PolarHBondContact NE-OE1 3.2Å; R8-E71 PolarHBondContact NH2-O 3.29Å; R8-E71 IonicContact NH2-OE1 2.85Å; R8-E71 PolarHBondContact NH2-OE1 2.81Å; R8-C72 CarbonylContact C-O 3.6Å; R8-C72 WeakPolarHBondContact CA-O 3.24Å; R8-V103 HydrophobicContact CB-CB 4.25Å; R8-V103 HydrophobicContact CB-CG2 4.31Å
9R97.7Very high94.2Very high83 Ų8343.3 Ų43.331%0.31321%0.214SC..EExtended strand (participates in β ladder)trans-136.2155.9177.5-75.1-65-67.9-91.40.8110.7E71 C72 S74 D98R9-E71 VanDerWaalsContact O-CA 3.3Å; R9-E71 WeakPolarHBondContact O-CA 3.45Å; R9-C72 PolarHBondContact N-O 3.12Å; R9-C72 PolarHBondContact O-N 3.5Å; R9-S74 VanDerWaalsContact CG-CB 3.48Å; R9-D98 PolarHBondContact NH2-O 3.5Å
10L98.2Very high94.3Very high2 Ų243.8 Ų43.81%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-108.6138.3-178.6-65.7171000111.1W69 V70 E71 D98 K101 V103 L134L10-W69 HydrophobicContact CB-CE3 4.09Å; L10-W69 HydrophobicContact CB-CZ3 4.26Å; L10-W69 HydrophobicContact CD1-CE3 4.12Å; L10-W69 HydrophobicContact CD1-CZ3 4.16Å; L10-W69 HydrophobicContact CG-CE3 4.48Å; L10-V70 CarbonylContact C-O 3.51Å; L10-V70 WeakPolarHBondContact CA-O 3.07Å; L10-E71 HydrophobicContact CD2-CB 3.82Å; L10-E71 HydrophobicContact CD2-CG 4.34Å; L10-D98 HydrophobicContact CB-CB 4.12Å; L10-D98 PolarHBondContact O-N 2.97Å; L10-K101 HydrophobicContact CD1-CB 3.79Å; L10-V103 HydrophobicContact CD1-CG2 4.04Å; L10-V103 HydrophobicContact CD2-CG2 3.72Å; L10-V103 HydrophobicContact CG-CG2 3.73Å; L10-L134 HydrophobicContact CD1-CB 4.22Å; L10-L134 HydrophobicContact CD1-CD2 3.89Å; L10-L134 HydrophobicContact CD1-CG 3.75Å; L10-L134 HydrophobicContact CD2-CD2 3.57Å; L10-L134 HydrophobicContact CD2-CG 3.9Å; L10-L134 HydrophobicContact CG-CD2 4.39Å; L10-L134 HydrophobicContact CG-CG 4.46Å
11L98.2Very high94.4Very high0 Ų042 Ų420%021%0.213CC..EExtended strand (participates in β ladder)trans-110.3144.6160.1-6676.8000107.8L13 W69 V70 L80 C81 L84 V95 Q96 L97L11-L13 HydrophobicContact CB-CD1 4.24Å; L11-W69 CarbonylContact O-C 3.58Å; L11-W69 WeakPolarHBondContact O-CA 3.11Å; L11-V70 HydrophobicContact CB-CB 4.35Å; L11-V70 PolarHBondContact N-O 3.29Å; L11-V70 PolarHBondContact O-N 3.24Å; L11-L80 HydrophobicContact CD1-CD2 4.08Å; L11-L80 HydrophobicContact CD2-CD2 4.33Å; L11-L80 HydrophobicContact CD2-CG 4.19Å; L11-C81 HydrophobicContact CD2-CB 3.72Å; L11-L84 HydrophobicContact CD2-CD1 3.99Å; L11-V95 HydrophobicContact CD2-CG1 4.28Å; L11-Q96 CarbonylContact C-O 3.58Å; L11-Q96 WeakPolarHBondContact CA-O 3.35Å; L11-Q96 WeakPolarHBondContact CB-O 3.25Å; L11-L97 HydrophobicContact CD1-CD2 3.86Å; L11-L97 HydrophobicContact CG-CD2 3.78Å; L11-L97 HydrophobicContact CG-CG 4.48Å
12R96.7Very high95.4Very high71 Ų7134.4 Ų34.427%0.26818%0.175SC..EExtended strand (participates in β ladder)trans-110123.9169.4-169.6-179177.2165.51.3108.7V14 H64 D67 W69 Q96R12-V14 HydrophobicContact CG-CG2 3.82Å; R12-H64 PolarHBondContact NH2-CD2 3.27Å; R12-D67 IonicContact CZ-OD2 2.76Å; R12-D67 VanDerWaalsContact CZ-OD2 3.28Å; R12-D67 IonicContact NE-OD2 3.61Å; R12-D67 PolarHBondContact NE-OD2 2.97Å; R12-D67 IonicContact NH2-OD2 2.71Å; R12-D67 PolarHBondContact NH2-OD2 2.79Å; R12-W69 HydrophobicContact CB-CE3 4.34Å; R12-W69 HydrophobicContact CB-CH2 4.47Å; R12-W69 HydrophobicContact CB-CZ3 4.31Å; R12-W69 HydrophobicContact CG-CD2 4.43Å; R12-W69 HydrophobicContact CG-CH2 4.49Å; R12-W69 HydrophobicContact CG-CZ2 4.24Å; R12-Q96 PolarHBondContact N-O 2.99Å; R12-Q96 PolarHBondContact O-N 3.08Å
13L97.4Very high95.8Very high0 Ų035.9 Ų35.90%018%0.182CC..EExtended strand (participates in β ladder)trans-103.2126.8170.1-74.474.4000108.2L11 C18 L21 L22 D67 I68 V70 L84 V93 D94 V95L11-L13 HydrophobicContact CB-CD1 4.24Å; L13-C18 VanDerWaalsContact C-SG 3.56Å; L13-C18 HydrophobicContact CB-CB 4.48Å; L13-L21 HydrophobicContact CD2-CD2 4.11Å; L13-L22 HydrophobicContact CD2-CD1 4.08Å; L13-L22 HydrophobicContact CD2-CD2 3.83Å; L13-L22 HydrophobicContact CD2-CG 4.02Å; L13-D67 VanDerWaalsContact O-CA 3.26Å; L13-D67 WeakPolarHBondContact O-CA 3.43Å; L13-I68 PolarHBondContact N-O 3.09Å; L13-I68 PolarHBondContact O-N 3.19Å; L13-V70 HydrophobicContact CD1-CB 4.33Å; L13-V70 HydrophobicContact CD1-CG2 3.76Å; L13-L84 HydrophobicContact CD1-CD1 4.34Å; L13-V93 HydrophobicContact CB-CG1 4.18Å; L13-V93 HydrophobicContact CD2-CG1 4.29Å; L13-V93 HydrophobicContact CG-CG1 4.4Å; L13-D94 CarbonylContact C-O 3.39Å; L13-D94 VanDerWaalsContact CA-O 3.29Å; L13-D94 WeakPolarHBondContact CA-O 3.39Å; L13-V95 HydrophobicContact CD1-CG1 4.17Å; L13-V95 HydrophobicContact CD2-CG2 4.35Å; L13-V95 HydrophobicContact CG-CB 4.5Å; L13-V95 HydrophobicContact CG-CG1 4.17Å; L13-V95 HydrophobicContact CG-CG2 4.09Å
14V96.1Very high96Very high55 Ų5537.2 Ų37.233%0.33320%0.197SC..EExtended strand (participates in β ladder)trans-124.4127.1-174.9-178.20000109.5R12 V93 D94R12-V14 HydrophobicContact CG-CG2 3.82Å; V14-V93 CarbonylContact O-C 3.55Å; V14-V93 WeakPolarHBondContact O-CA 3.15Å; V14-D94 PolarHBondContact N-O 3.2Å; V14-D94 PolarHBondContact O-N 2.99Å
15G94.8Very high96.1Very high11 Ų1134.3 Ų34.311%0.11319%0.187CC..SBendtrans133.4164.2173.700000114.5D17 C18 K92G15-D17 PolarHBondContact O-N 3.08Å; G15-C18 PolarHBondContact O-N 3.19Å; G15-C18 PolarHBondContact O-SG 3.01Å; G15-K92 CarbonylContact C-O 3.57Å; G15-K92 WeakPolarHBondContact CA-O 3.38Å
16P94Very high96.3Very high90 Ų9034 Ų3458%0.58419%0.185SC*.THydrogen-bonded Turntrans-65.8-21.8-171.926.8-36.7000114K92P16-K92 WeakPolarHBondContact CD-O 3.37Å; P16-K92 HydrophobicContact CG-CB 3.94Å; P16-K92 HydrophobicContact CG-CD 4.38Å
17D95.6Very high96.6Very high48 Ų4827.8 Ų27.826%0.25716%0.158SC..THydrogen-bonded Turntrans-94.17.9-176-73.2-46.6000113.8G15 V19 S20 L21 K91 K92 V93G15-D17 PolarHBondContact O-N 3.08Å; D17-V19 PolarHBondContact O-N 3.14Å; D17-S20 PolarHBondContact O-N 3.29Å; D17-S20 PolarHBondContact O-OG 3.47Å; D17-S20 VanDerWaalsContact O-OG 3.04Å; D17-L21 WeakPolarHBondContact O-CB 3.49Å; D17-L21 PolarHBondContact O-N 3.32Å; D17-K91 HydrophobicContact CB-CB 3.84Å; D17-K91 HydrophobicContact CB-CG 4.31Å; D17-K92 PolarHBondContact OD2-N 2.66Å; D17-V93 HydrophobicContact CB-CG2 3.51Å
18C96.5Very high96.8Very high1 Ų125.3 Ų25.31%0.00715%0.145CC..Hα-helixtrans-56-48.9-178-68.40000112.1L13 G15 S20 L21 L22 T66 I68L13-C18 VanDerWaalsContact C-SG 3.56Å; L13-C18 HydrophobicContact CB-CB 4.48Å; G15-C18 PolarHBondContact O-N 3.19Å; G15-C18 PolarHBondContact O-SG 3.01Å; C18-S20 PolarHBondContact O-N 2.72Å; C18-L21 PolarHBondContact O-N 2.93Å; C18-L22 WeakPolarHBondContact O-CG 3.33Å; C18-L22 PolarHBondContact O-N 3.2Å; C18-T66 PolarHBondContact SG-O 2.86Å; C18-I68 HydrophobicContact CB-CD1 3.86Å; C18-I68 HydrophobicContact CB-CG1 4.05Å
19V95.6Very high96.8Very high22 Ų2226.7 Ų26.713%0.13315%0.152CC..Hα-helixtrans-61.2-47.5178.2176.20000110.2D17 L21 L22 Q23 V30 T31 I68D17-V19 PolarHBondContact O-N 3.14Å; V19-L21 VanDerWaalsContact C-N 3.31Å; V19-L21 PolarHBondContact O-N 2.81Å; V19-L22 PolarHBondContact O-N 2.72Å; V19-Q23 WeakPolarHBondContact O-CB 3.41Å; V19-Q23 PolarHBondContact O-N 3.46Å; V19-V30 HydrophobicContact CG1-CG1 4.47Å; V19-T31 HydrophobicContact CG1-CG2 3.92Å; V19-I68 HydrophobicContact CG2-CD1 3.93Å
20S95Very high96.8Very high53 Ų5322.7 Ų22.737%0.37114%0.137SC..Hα-helixtrans-67.2-31.4-176.979.60000112.5D17 C18 K91D17-S20 PolarHBondContact O-N 3.29Å; D17-S20 PolarHBondContact O-OG 3.47Å; D17-S20 VanDerWaalsContact O-OG 3.04Å; C18-S20 PolarHBondContact O-N 2.72Å; S20-K91 PolarHBondContact O-NZ 3.25Å; S20-K91 PolarHBondContact OG-NZ 3.19Å
21L96.4Very high96.7Very high6 Ų625.3 Ų25.33%0.03115%0.153CC..Hα-helixtrans-64.9-56.5172.6174.660.8000110.7L13 D17 C18 V19 Q23 G24 L25 H87 V88 K91 V93L13-L21 HydrophobicContact CD2-CD2 4.11Å; D17-L21 WeakPolarHBondContact O-CB 3.49Å; D17-L21 PolarHBondContact O-N 3.32Å; C18-L21 PolarHBondContact O-N 2.93Å; V19-L21 VanDerWaalsContact C-N 3.31Å; V19-L21 PolarHBondContact O-N 2.81Å; L21-Q23 VanDerWaalsContact C-N 3.33Å; L21-Q23 PolarHBondContact O-N 3.43Å; L21-G24 PolarHBondContact O-N 2.79Å; L21-L25 HydrophobicContact CD1-CD1 3.99Å; L21-L25 HydrophobicContact CG-CD1 4.38Å; L21-H87 HydrophobicContact CD1-CB 3.79Å; L21-H87 WeakPolarHBondContact CD1-O 3.27Å; L21-V88 HydrophobicContact CD2-CG2 3.94Å; L21-K91 HydrophobicContact CB-CD 3.73Å; L21-K91 HydrophobicContact CD1-CD 3.88Å; L21-K91 HydrophobicContact CG-CD 4.35Å; L21-V93 HydrophobicContact CB-CG2 4.43Å; L21-V93 HydrophobicContact CD2-CB 4.28Å; L21-V93 HydrophobicContact CD2-CG1 4.02Å; L21-V93 HydrophobicContact CD2-CG2 4.31Å
22L97.8Very high96.5Very high2 Ų229.9 Ų29.91%0.0117%0.17CC..Hα-helixtrans-70.1-31.2-173.9-64.7179.7000112.2L13 C18 V19 G24 L25 L26 V30 L58 I68 V70 L84L13-L22 HydrophobicContact CD2-CD1 4.08Å; L13-L22 HydrophobicContact CD2-CD2 3.83Å; L13-L22 HydrophobicContact CD2-CG 4.02Å; C18-L22 WeakPolarHBondContact O-CG 3.33Å; C18-L22 PolarHBondContact O-N 3.2Å; V19-L22 PolarHBondContact O-N 2.72Å; L22-G24 PolarHBondContact O-N 3.06Å; L22-L25 PolarHBondContact O-N 3.32Å; L22-L26 HydrophobicContact CB-CD1 3.99Å; L22-L26 HydrophobicContact CB-CG 4.36Å; L22-L26 HydrophobicContact CD2-CD1 4.21Å; L22-L26 HydrophobicContact CG-CD1 4.5Å; L22-L26 WeakPolarHBondContact O-CB 3.35Å; L22-L26 WeakPolarHBondContact O-CG 3.43Å; L22-L26 PolarHBondContact O-N 3.37Å; L22-V30 HydrophobicContact CB-CG1 4.1Å; L22-V30 HydrophobicContact CB-CG2 4.03Å; L22-V30 HydrophobicContact CD1-CG1 4.42Å; L22-L58 HydrophobicContact CD1-CD2 3.59Å; L22-I68 HydrophobicContact CD1-CB 4.3Å; L22-I68 HydrophobicContact CD1-CD1 3.91Å; L22-I68 HydrophobicContact CD1-CG2 3.82Å; L22-V70 HydrophobicContact CD1-CG2 4.26Å; L22-L84 HydrophobicContact CD2-CD2 3.88Å
23Q97.1Very high96.4Very high34 Ų3426.7 Ų26.716%0.15916%0.159CC..Hα-helixtrans-58.6-34.6179.9-171.568.8-1300112.7V19 L21 D29 K185V19-Q23 WeakPolarHBondContact O-CB 3.41Å; V19-Q23 PolarHBondContact O-N 3.46Å; L21-Q23 VanDerWaalsContact C-N 3.33Å; L21-Q23 PolarHBondContact O-N 3.43Å; Q23-D29 PolarHBondContact NE2-OD1 3.19Å; Q23-D29 PolarHBondContact OE1-OD1 2.87Å; Q23-K185 WeakPolarHBondContact O-CE 3.36Å; Q23-K185 PolarHBondContact O-NZ 2.92Å
24G95.4Very high96Very high34 Ų3431.4 Ų31.435%0.35118%0.184SC..THydrogen-bonded Turntrans-82.8-10.7177.600000114.8L21 L22 Y188 L189L21-G24 PolarHBondContact O-N 2.79Å; L22-G24 PolarHBondContact O-N 3.06Å; G24-Y188 VanDerWaalsContact O-CA 3.28Å; G24-Y188 WeakPolarHBondContact O-CA 3.25Å; G24-L189 PolarHBondContact O-N 3.07Å; G24-L189 VanDerWaalsContact O-N 3.09Å
25L97.6Very high95.7Very high15 Ų1533.8 Ų33.88%0.07919%0.192CC..THydrogen-bonded Turntrans-110.6-22.9-172.9-61.4177.6000113.4L21 L22 M45 L84 H87L21-L25 HydrophobicContact CD1-CD1 3.99Å; L21-L25 HydrophobicContact CG-CD1 4.38Å; L22-L25 PolarHBondContact O-N 3.32Å; L25-M45 HydrophobicContact CB-CE 4.17Å; L25-L84 HydrophobicContact CD1-CD2 3.91Å; L25-H87 HydrophobicContact CD1-CB 3.94Å
26L98.6Very high95Very high0 Ų043 Ų430%023%0.232CC..BIsolated β-bridgetrans-111.1147.8-169.6-61.1-168.7000112.3L22 N28 V30 S43 L44 M45 L56 L58 K185 Y188L22-L26 HydrophobicContact CB-CD1 3.99Å; L22-L26 HydrophobicContact CB-CG 4.36Å; L22-L26 HydrophobicContact CD2-CD1 4.21Å; L22-L26 HydrophobicContact CG-CD1 4.5Å; L22-L26 WeakPolarHBondContact O-CB 3.35Å; L22-L26 WeakPolarHBondContact O-CG 3.43Å; L22-L26 PolarHBondContact O-N 3.37Å; L26-N28 PolarHBondContact O-N 2.99Å; L26-V30 HydrophobicContact CB-CG2 4.25Å; L26-V30 HydrophobicContact CD1-CG2 4.15Å; L26-S43 WeakPolarHBondContact CB-OG 3.5Å; L26-L44 WeakPolarHBondContact CA-O 3.4Å; L26-M45 HydrophobicContact CD2-CB 3.9Å; L26-M45 HydrophobicContact CD2-CE 3.79Å; L26-M45 HydrophobicContact CD2-CG 4.45Å; L26-L56 HydrophobicContact CD2-CD1 3.62Å; L26-L58 HydrophobicContact CD1-CD1 3.99Å; L26-L58 HydrophobicContact CD1-CD2 3.54Å; L26-L58 HydrophobicContact CD1-CG 4.27Å; L26-K185 PolarHBondContact O-NZ 3.27Å; L26-Y188 WeakPolarHBondContact O-CB 3.41Å
27T98.7Very high94.4Very high0 Ų048.4 Ų48.40%025%0.246CC..SBendtrans-70-27.8-17852.90000114.2S43 L44 L46 A180 V181 S182 K185 Y188T27-S43 PolarHBondContact N-OG 2.99Å; T27-S43 PolarHBondContact OG1-OG 3.34Å; T27-L44 HydrophobicContact CG2-CB 3.89Å; T27-L44 PolarHBondContact N-O 3.48Å; T27-L44 PolarHBondContact OG1-N 3.05Å; T27-L44 PolarHBondContact OG1-O 3.18Å; T27-L46 HydrophobicContact CG2-CD1 3.68Å; T27-L46 HydrophobicContact CG2-CD2 3.94Å; T27-L46 HydrophobicContact CG2-CG 3.6Å; T27-A180 WeakPolarHBondContact CB-O 3.3Å; T27-A180 PolarHBondContact OG1-O 3.4Å; T27-V181 WeakPolarHBondContact O-CA 3.16Å; T27-S182 PolarHBondContact O-N 3.44Å; T27-K185 WeakPolarHBondContact O-CD 3.25Å; T27-Y188 HydrophobicContact CG2-CD2 4.25Å; T27-Y188 HydrophobicContact CG2-CE2 3.67Å
28N98.2Very high93.9Very high4 Ų446.8 Ų46.82%0.02124%0.238CC..SBendtrans-92.1161.6-179.2-151.2-16.5000112.4L26 V30 Y42 S43 G179 A180 K185L26-N28 PolarHBondContact O-N 2.99Å; N28-V30 PolarHBondContact O-N 3.34Å; N28-Y42 PolarHBondContact ND2-O 3.04Å; N28-S43 WeakPolarHBondContact CB-OG 3.4Å; N28-S43 PolarHBondContact N-OG 2.84Å; N28-G179 PolarHBondContact ND2-O 2.97Å; N28-A180 PolarHBondContact N-O 3.36Å; N28-K185 WeakPolarHBondContact O-CD 3.16Å; N28-K185 PolarHBondContact O-NZ 3.37Å
29D97.8Very high93.5Very high29 Ų2949.1 Ų49.116%0.15525%0.254CS..  trans-78.899174.6-170.5-3.4000110.7Q23 T31 R32 L41 K185Q23-D29 PolarHBondContact NE2-OD1 3.19Å; Q23-D29 PolarHBondContact OE1-OD1 2.87Å; D29-T31 VanDerWaalsContact CG-OG1 3.24Å; D29-T31 PolarHBondContact O-N 2.89Å; D29-T31 WeakPolarHBondContact OD1-CB 3.47Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.43Å; D29-T31 PolarHBondContact OD1-N 2.8Å; D29-T31 PolarHBondContact OD1-OG1 2.78Å; D29-T31 PolarHBondContact OD2-OG1 3Å; D29-R32 HydrophobicContact CB-CG 4.11Å; D29-R32 WeakPolarHBondContact O-CB 3.15Å; D29-R32 WeakPolarHBondContact O-CG 3.19Å; D29-R32 PolarHBondContact O-N 3.15Å; D29-L41 VanDerWaalsContact O-CD1 3.31Å; D29-L41 WeakPolarHBondContact O-CD1 3.39Å; D29-K185 HydrophobicContact CB-CB 4.18Å
30V97Very high93.5Very high0 Ų048.7 Ų48.70%025%0.254CS..G310 helixtrans-69-20.9-178.2-172.40000111.3V19 L22 L26 N28 R32 L33 L58 I68V19-V30 HydrophobicContact CG1-CG1 4.47Å; L22-V30 HydrophobicContact CB-CG1 4.1Å; L22-V30 HydrophobicContact CB-CG2 4.03Å; L22-V30 HydrophobicContact CD1-CG1 4.42Å; L26-V30 HydrophobicContact CB-CG2 4.25Å; L26-V30 HydrophobicContact CD1-CG2 4.15Å; N28-V30 PolarHBondContact O-N 3.34Å; V30-R32 PolarHBondContact O-N 3.42Å; V30-L33 HydrophobicContact CG1-CD1 4.12Å; V30-L33 WeakPolarHBondContact O-CB 3.39Å; V30-L33 PolarHBondContact O-N 3.13Å; V30-L33 VanDerWaalsContact O-N 3.14Å; V30-L58 HydrophobicContact CG1-CD2 4.24Å; V30-L58 HydrophobicContact CG2-CD2 4.49Å; V30-I68 HydrophobicContact CG1-CD1 4.06Å
31T95.5Very high93.6Very high56 Ų5646.4 Ų46.434%0.34424%0.237SC..G310 helixtrans-62.7-24.9177.771.10000112.3V19 D29 L33 N34V19-T31 HydrophobicContact CG1-CG2 3.92Å; D29-T31 VanDerWaalsContact CG-OG1 3.24Å; D29-T31 PolarHBondContact O-N 2.89Å; D29-T31 WeakPolarHBondContact OD1-CB 3.47Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.43Å; D29-T31 PolarHBondContact OD1-N 2.8Å; D29-T31 PolarHBondContact OD1-OG1 2.78Å; D29-T31 PolarHBondContact OD2-OG1 3Å; T31-L33 PolarHBondContact O-N 3.19Å; T31-N34 VanDerWaalsContact O-CB 3.25Å; T31-N34 WeakPolarHBondContact O-CB 3.31Å; T31-N34 PolarHBondContact O-N 2.71Å; T31-N34 PolarHBondContact O-ND2 2.71Å
32R94.9Very high93.7Very high96 Ų9646.3 Ų46.336%0.36224%0.236SC..G310 helixtrans-57.8-30175.7-65.7174.661.6-161.1-3113D29 V30 N34 E35 C38 L41D29-R32 HydrophobicContact CB-CG 4.11Å; D29-R32 WeakPolarHBondContact O-CB 3.15Å; D29-R32 WeakPolarHBondContact O-CG 3.19Å; D29-R32 PolarHBondContact O-N 3.15Å; V30-R32 PolarHBondContact O-N 3.42Å; R32-N34 PolarHBondContact O-N 2.77Å; R32-E35 WeakPolarHBondContact O-CB 3.48Å; R32-E35 WeakPolarHBondContact O-CG 3.26Å; R32-E35 PolarHBondContact O-N 2.79Å; R32-C38 WeakPolarHBondContact O-CB 3.47Å; R32-L41 HydrophobicContact CB-CD1 4.35Å; R32-L41 HydrophobicContact CB-CD2 4.31Å
33L93.7Very high93.7Very high4 Ų446.2 Ų46.22%0.02124%0.236CC..G310 helixtrans-61-15.2175-73.3172.5000112.9V30 T31 E35 L41 L58 R60 I68V30-L33 HydrophobicContact CG1-CD1 4.12Å; V30-L33 WeakPolarHBondContact O-CB 3.39Å; V30-L33 PolarHBondContact O-N 3.13Å; V30-L33 VanDerWaalsContact O-N 3.14Å; T31-L33 PolarHBondContact O-N 3.19Å; L33-E35 VanDerWaalsContact C-N 3.27Å; L33-L41 HydrophobicContact CD1-CD1 4.21Å; L33-L41 HydrophobicContact CD2-CD1 4.25Å; L33-L41 HydrophobicContact CD2-CG 3.96Å; L33-L41 HydrophobicContact CG-CD1 3.68Å; L33-L41 HydrophobicContact CG-CG 3.96Å; L33-L58 HydrophobicContact CD1-CB 3.78Å; L33-R60 VanDerWaalsContact C-CZ 3.49Å; L33-R60 HydrophobicContact CB-CB 4.36Å; L33-R60 HydrophobicContact CD2-CB 4.34Å; L33-R60 PolarHBondContact O-NE 3.47Å; L33-R60 PolarHBondContact O-NH2 3.42Å; L33-R60 VanDerWaalsContact O-NH2 3.08Å; L33-I68 HydrophobicContact CD1-CD1 4.32Å; L33-I68 HydrophobicContact CD1-CG2 4.35Å
34N89.8Confident93.8Very high99 Ų9944.6 Ų44.653%0.52923%0.228SC..G310 helixtrans-80.2-14.7176.7-66.6-45000111.1T31 R32 R60T31-N34 VanDerWaalsContact O-CB 3.25Å; T31-N34 WeakPolarHBondContact O-CB 3.31Å; T31-N34 PolarHBondContact O-N 2.71Å; T31-N34 PolarHBondContact O-ND2 2.71Å; R32-N34 PolarHBondContact O-N 2.77Å; N34-R60 PolarHBondContact OD1-NH1 3.23Å; N34-R60 PolarHBondContact OD1-NH2 3.48Å
35E89.2Confident94Very high106 Ų10643.1 Ų43.150%0.49521%0.212SC..SBendtrans-76.9135.5178.4-57.6167.4-165.900109.5R32 L33 K37 C38R32-E35 WeakPolarHBondContact O-CB 3.48Å; R32-E35 WeakPolarHBondContact O-CG 3.26Å; R32-E35 PolarHBondContact O-N 2.79Å; L33-E35 VanDerWaalsContact C-N 3.27Å; E35-K37 PolarHBondContact O-N 2.89Å; E35-C38 HydrophobicContact CB-CB 4.22Å; E35-C38 PolarHBondContact O-N 2.95Å
36E80.4Confident94Very high204 Ų20442.4 Ų42.495%0.95321%0.209SC*.THydrogen-bonded Turntrans-55.3-28.3-177.3-68.5-177.616500113.9
37K82Confident94Very high203 Ų20343.4 Ų43.488%0.88321%0.214SC*.THydrogen-bonded Turntrans-88.6-7.6-177.2-63.8-176.2-179.3178.90113.8E35E35-K37 PolarHBondContact O-N 2.89Å
38C85.3Confident93.8Very high14 Ų1449 Ų4910%0.09525%0.248CC..  trans-11489.8-172.4-175.20000110.9R32 E35R32-C38 WeakPolarHBondContact O-CB 3.47Å; E35-C38 HydrophobicContact CB-CB 4.22Å; E35-C38 PolarHBondContact O-N 2.95Å
39S87.8Confident93.8Very high50 Ų5055.4 Ų55.435%0.3527%0.272SS..  trans-88.4-17.2178.456.40000114Y59 R60 V121S39-Y59 WeakPolarHBondContact O-CA 3.44Å; S39-R60 PolarHBondContact O-N 2.95Å; S39-V121 WeakPolarHBondContact OG-CG1 3.47Å
40A95.6Very high93.7Very high14 Ų1454 Ų5412%0.11627%0.265CS..EExtended strand (participates in β ladder)trans-144.3147.7-176.800000112.6L58 Y59 V121 P124A40-L58 CarbonylContact C-O 3.57Å; A40-L58 WeakPolarHBondContact CA-O 3.44Å; A40-Y59 HydrophobicContact CB-CD1 3.73Å; A40-Y59 HydrophobicContact CB-CE1 3.95Å; A40-V121 HydrophobicContact CB-CB 4.28Å; A40-V121 HydrophobicContact CB-CG2 3.9Å; A40-P124 HydrophobicContact CB-CB 4.21Å; A40-P124 HydrophobicContact CB-CG 4.16Å
41L97.1Very high93.8Very high5 Ų557.8 Ų57.83%0.02628%0.279CS..EExtended strand (participates in β ladder)trans-134.7143.7171.2-68.1176.1000110.3D29 R32 L33 F57 L58D29-L41 VanDerWaalsContact O-CD1 3.31Å; D29-L41 WeakPolarHBondContact O-CD1 3.39Å; R32-L41 HydrophobicContact CB-CD1 4.35Å; R32-L41 HydrophobicContact CB-CD2 4.31Å; L33-L41 HydrophobicContact CD1-CD1 4.21Å; L33-L41 HydrophobicContact CD2-CD1 4.25Å; L33-L41 HydrophobicContact CD2-CG 3.96Å; L33-L41 HydrophobicContact CG-CD1 3.68Å; L33-L41 HydrophobicContact CG-CG 3.96Å; L41-F57 CarbonylContact O-C 3.57Å; L41-F57 VanDerWaalsContact O-CA 3.3Å; L41-F57 WeakPolarHBondContact O-CA 3.38Å; L41-L58 HydrophobicContact CB-CB 4.36Å; L41-L58 HydrophobicContact CB-CD1 4.11Å; L41-L58 PolarHBondContact N-O 3.01Å; L41-L58 PolarHBondContact O-N 2.9Å
42Y98.4Very high93.9Very high3 Ų355.2 Ų55.21%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-96.1137.2162-173.3-128.8000109.1N28 D55 L56 F57 R125 M173 L178 A180N28-Y42 PolarHBondContact ND2-O 3.04Å; Y42-D55 HydrophobicContact CE2-CB 3.98Å; Y42-D55 WeakPolarHBondContact OH-CB 3.21Å; Y42-L56 VanDerWaalsContact CD2-O 3.31Å; Y42-L56 WeakPolarHBondContact CD2-O 3.41Å; Y42-F57 AromaticContact CD2-CD1 3.87Å; Y42-F57 HydrophobicContact CD2-CD1 3.87Å; Y42-F57 HydrophobicContact CD2-CD2 4.24Å; Y42-F57 AromaticContact CD2-CE1 3.53Å; Y42-F57 HydrophobicContact CD2-CE1 3.53Å; Y42-F57 AromaticContact CD2-CE2 3.92Å; Y42-F57 HydrophobicContact CD2-CE2 3.92Å; Y42-F57 HydrophobicContact CD2-CG 4.18Å; Y42-F57 AromaticContact CD2-CZ 3.52Å; Y42-F57 HydrophobicContact CD2-CZ 3.52Å; Y42-F57 HydrophobicContact CE2-CD2 4.42Å; Y42-F57 HydrophobicContact CE2-CE1 4.06Å; Y42-F57 AromaticContact CE2-CE2 3.78Å; Y42-F57 HydrophobicContact CE2-CE2 3.78Å; Y42-F57 AromaticContact CE2-CZ 3.54Å; Y42-F57 HydrophobicContact CE2-CZ 3.54Å; Y42-F57 HydrophobicContact CG-CE1 4.24Å; Y42-R125 HydrophobicContact CD1-CG 3.57Å; Y42-R125 HydrophobicContact CD2-CG 4.14Å; Y42-R125 HydrophobicContact CE1-CG 4Å; Y42-R125 HydrophobicContact CG-CG 3.66Å; Y42-M173 HydrophobicContact CE1-CE 3.93Å; Y42-M173 WeakPolarHBondContact OH-CE 3.13Å; Y42-L178 HydrophobicContact CE1-CD1 4.44Å; Y42-A180 HydrophobicContact CD1-CB 3.53Å; Y42-A180 HydrophobicContact CE1-CB 3.95Å; Y42-A180 HydrophobicContact CG-CB 4.4Å; Y42-A180 WeakPolarHBondContact O-CA 3.48Å
43S98.6Very high94.1Very high0 Ų052.2 Ų52.20%025%0.254CS..EExtended strand (participates in β ladder)trans-152.7164.3179.5-167.70000110.7L26 T27 N28 L56L26-S43 WeakPolarHBondContact CB-OG 3.5Å; T27-S43 PolarHBondContact N-OG 2.99Å; T27-S43 PolarHBondContact OG1-OG 3.34Å; N28-S43 WeakPolarHBondContact CB-OG 3.4Å; N28-S43 PolarHBondContact N-OG 2.84Å; S43-L56 PolarHBondContact N-O 2.72Å; S43-L56 PolarHBondContact O-N 2.7Å; S43-L56 VanDerWaalsContact O-O 3.06Å
44L98.8Very high94.3Very high0 Ų053.4 Ų53.40%026%0.258CS..EExtended strand (participates in β ladder)trans-113.9150.1174.1-50.9171.3000109.3L26 T27 L46 I52 Y54 D55 P170 M173 A175L26-L44 WeakPolarHBondContact CA-O 3.4Å; T27-L44 HydrophobicContact CG2-CB 3.89Å; T27-L44 PolarHBondContact N-O 3.48Å; T27-L44 PolarHBondContact OG1-N 3.05Å; T27-L44 PolarHBondContact OG1-O 3.18Å; L44-L46 HydrophobicContact CB-CD2 3.92Å; L44-I52 HydrophobicContact CD1-CD1 4.03Å; L44-I52 HydrophobicContact CD1-CG1 4.1Å; L44-I52 HydrophobicContact CD2-CG2 4.36Å; L44-Y54 CarbonylContact C-O 3.53Å; L44-Y54 WeakPolarHBondContact CA-O 3.45Å; L44-D55 HydrophobicContact CD2-CB 4.09Å; L44-P170 HydrophobicContact CD1-CB 3.83Å; L44-P170 HydrophobicContact CD1-CG 4.07Å; L44-M173 HydrophobicContact CD1-SD 4.26Å; L44-M173 HydrophobicContact CD2-SD 4.46Å; L44-A175 HydrophobicContact CD1-CB 3.66Å
45M98.6Very high94.7Very high4 Ų449 Ų492%0.0224%0.235CC..EExtended strand (participates in β ladder)trans-104128.1160-176.6173.8-68.600108L25 L26 L53 Y54 L56 L80 L83 L84L25-M45 HydrophobicContact CB-CE 4.17Å; L26-M45 HydrophobicContact CD2-CB 3.9Å; L26-M45 HydrophobicContact CD2-CE 3.79Å; L26-M45 HydrophobicContact CD2-CG 4.45Å; M45-L53 WeakPolarHBondContact O-CB 3.3Å; M45-L53 PolarHBondContact O-N 3.27Å; M45-Y54 HydrophobicContact CB-CD2 4Å; M45-Y54 HydrophobicContact CG-CD2 4.23Å; M45-Y54 PolarHBondContact N-O 3.43Å; M45-Y54 PolarHBondContact O-N 3.47Å; M45-Y54 HydrophobicContact SD-CD2 3.73Å; M45-Y54 HydrophobicContact SD-CE2 3.93Å; M45-L56 HydrophobicContact CB-CD1 4.13Å; M45-L56 HydrophobicContact CE-CD1 4.41Å; M45-L80 HydrophobicContact CE-CD1 3.81Å; M45-L80 HydrophobicContact SD-CD1 4.07Å; M45-L83 HydrophobicContact SD-CD2 3.43Å; M45-L83 WeakPolarHBondContact SD-CD2 3.36Å; M45-L83 HydrophobicContact SD-CG 4.48Å; M45-L84 HydrophobicContact CE-CD2 3.88Å
46L98.5Very high95.2Very high0 Ų044 Ų440%021%0.212CC..EExtended strand (participates in β ladder)trans-107.4162.2-179.2-47.5-174.9000111T27 L44 R51 I52 P170 Y188 L189 T194T27-L46 HydrophobicContact CG2-CD1 3.68Å; T27-L46 HydrophobicContact CG2-CD2 3.94Å; T27-L46 HydrophobicContact CG2-CG 3.6Å; L44-L46 HydrophobicContact CB-CD2 3.92Å; L46-R51 CarbonylContact C-O 3.56Å; L46-R51 VanDerWaalsContact CA-O 3.23Å; L46-R51 WeakPolarHBondContact CA-O 3.43Å; L46-I52 HydrophobicContact CD2-CB 4.47Å; L46-I52 HydrophobicContact CD2-CG1 4.04Å; L46-P170 HydrophobicContact CD1-CG 3.91Å; L46-P170 HydrophobicContact CD2-CG 3.74Å; L46-Y188 HydrophobicContact CD1-CE2 4.05Å; L46-L189 WeakPolarHBondContact O-CD2 3.22Å; L46-T194 WeakPolarHBondContact CD1-OG1 3.35Å
47N97.3Very high96Very high20 Ų2034.3 Ų34.311%0.10717%0.166CC..  trans-87.3177.2161.869.219000111.6R49 G50 R51 L53 D166 G190N47-R49 PolarHBondContact O-N 3.47Å; N47-R49 VanDerWaalsContact O-N 3.09Å; N47-R49 WeakPolarHBondContact OD1-CA 3.25Å; N47-R49 WeakPolarHBondContact OD1-CB 3.26Å; N47-R49 PolarHBondContact OD1-N 3.37Å; N47-G50 PolarHBondContact O-N 3.49Å; N47-G50 PolarHBondContact OD1-N 3.05Å; N47-R51 PolarHBondContact N-O 3.47Å; N47-R51 PolarHBondContact OD1-N 2.82Å; N47-L53 HydrophobicContact CB-CD1 4.04Å; N47-L53 HydrophobicContact CB-CD2 4.15Å; N47-L53 HydrophobicContact CB-CG 4.03Å; N47-D166 PolarHBondContact ND2-OD1 2.96Å; N47-G190 WeakPolarHBondContact O-CA 3.41Å
48V96.5Very high96.8Very high119 Ų11924.7 Ų24.772%0.72112%0.124SC*.THydrogen-bonded Turntrans-59.2-21.7178.8-62.80000114.2G50 L189V48-G50 VanDerWaalsContact C-N 3.32Å; V48-L189 HydrophobicContact CG1-CD1 3.8Å
49R96.7Very high97.3Very high137 Ų13724 Ų2452%0.51712%0.12SC..THydrogen-bonded Turntrans-89.64.2177.6-61.7-178.3-68.5-165.1-3.3112.8N47 R51 D166 L193N47-R49 PolarHBondContact O-N 3.47Å; N47-R49 VanDerWaalsContact O-N 3.09Å; N47-R49 WeakPolarHBondContact OD1-CA 3.25Å; N47-R49 WeakPolarHBondContact OD1-CB 3.26Å; N47-R49 PolarHBondContact OD1-N 3.37Å; R49-R51 VanDerWaalsContact C-N 3.32Å; R49-R51 PolarHBondContact O-N 2.9Å; R49-D166 IonicContact CZ-OD1 3.79Å; R49-D166 IonicContact CZ-OD2 2.69Å; R49-D166 IonicContact NE-OD1 2.66Å; R49-D166 IonicContact NH2-OD1 3.87Å; R49-D166 PolarHBondContact NH2-OD1 3.43Å; R49-D166 IonicContact NH2-OD2 3.73Å; R49-D166 PolarHBondContact NH2-OD2 2.96Å; R49-L193 WeakPolarHBondContact O-CD2 3.46Å
50G97.3Very high97.5Very high1 Ų123.2 Ų23.21%0.0111%0.109CC..SBendtrans76.114.2-179.100000114.5N47 V48 F169 P170N47-G50 PolarHBondContact O-N 3.49Å; N47-G50 PolarHBondContact OD1-N 3.05Å; V48-G50 VanDerWaalsContact C-N 3.32Å; G50-F169 WeakPolarHBondContact O-CD1 3.25Å; G50-P170 WeakPolarHBondContact O-CD 3.37Å
51R98.1Very high96.9Very high78 Ų7823.1 Ų23.129%0.29411%0.106SC..  trans-89.8146.3175.2-63.4-170.3-177.6164-2.4111.2L46 N47 R49 L53 D166 S168 F169L46-R51 CarbonylContact C-O 3.56Å; L46-R51 VanDerWaalsContact CA-O 3.23Å; L46-R51 WeakPolarHBondContact CA-O 3.43Å; N47-R51 PolarHBondContact N-O 3.47Å; N47-R51 PolarHBondContact OD1-N 2.82Å; R49-R51 VanDerWaalsContact C-N 3.32Å; R49-R51 PolarHBondContact O-N 2.9Å; R51-L53 PolarHBondContact O-N 2.93Å; R51-D166 WeakPolarHBondContact CD-O 3.17Å; R51-D166 WeakPolarHBondContact CD-OD1 3.38Å; R51-D166 PolarHBondContact NH1-O 3.04Å; R51-D166 IonicContact NH1-OD1 2.76Å; R51-S168 WeakPolarHBondContact CA-O 3.31Å; R51-F169 HydrophobicContact CG-CD1 4.1Å; R51-F169 HydrophobicContact CG-CE1 3.59Å; R51-F169 HydrophobicContact CG-CZ 3.95Å
52I98.5Very high95.8Very high2 Ų226.5 Ų26.51%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-64.9126.4180-57.5171.8000109.2L44 L46 L163 P165 D166 S168 P170 M173L44-I52 HydrophobicContact CD1-CD1 4.03Å; L44-I52 HydrophobicContact CD1-CG1 4.1Å; L44-I52 HydrophobicContact CD2-CG2 4.36Å; L46-I52 HydrophobicContact CD2-CB 4.47Å; L46-I52 HydrophobicContact CD2-CG1 4.04Å; I52-L163 HydrophobicContact CD1-CD2 4.4Å; I52-P165 CarbonylContact O-C 3.52Å; I52-D166 PolarHBondContact O-N 3.11Å; I52-S168 WeakPolarHBondContact CG1-O 3.32Å; I52-S168 PolarHBondContact N-O 3.01Å; I52-P170 HydrophobicContact CG1-CG 4.34Å; I52-M173 HydrophobicContact CD1-CG 3.72Å
53L98.1Very high94.5Very high34 Ų3431.4 Ų31.418%0.17817%0.166CC..EExtended strand (participates in β ladder)trans-92.8-51.5164.4-67.7175.8000109.9M45 N47 R51 P165M45-L53 WeakPolarHBondContact O-CB 3.3Å; M45-L53 PolarHBondContact O-N 3.27Å; N47-L53 HydrophobicContact CB-CD1 4.04Å; N47-L53 HydrophobicContact CB-CD2 4.15Å; N47-L53 HydrophobicContact CB-CG 4.03Å; R51-L53 PolarHBondContact O-N 2.93Å; L53-P165 HydrophobicContact CD2-CB 4.33Å
54Y98.5Very high93.6Very high28 Ų2834.9 Ų34.911%0.1118%0.182CC..EExtended strand (participates in β ladder)trans-142.1137.7-172.9-44.2-58.8000111.3L44 M45 V76 L80 L83L44-Y54 CarbonylContact C-O 3.53Å; L44-Y54 WeakPolarHBondContact CA-O 3.45Å; M45-Y54 HydrophobicContact CB-CD2 4Å; M45-Y54 HydrophobicContact CG-CD2 4.23Å; M45-Y54 PolarHBondContact N-O 3.43Å; M45-Y54 PolarHBondContact O-N 3.47Å; M45-Y54 HydrophobicContact SD-CD2 3.73Å; M45-Y54 HydrophobicContact SD-CE2 3.93Å; Y54-V76 HydrophobicContact CD1-CB 3.95Å; Y54-V76 HydrophobicContact CD1-CG1 4.3Å; Y54-V76 HydrophobicContact CD1-CG2 3.65Å; Y54-V76 HydrophobicContact CE1-CB 3.73Å; Y54-V76 HydrophobicContact CE1-CG1 4.07Å; Y54-V76 HydrophobicContact CE1-CG2 3.97Å; Y54-L80 HydrophobicContact CD2-CD1 3.75Å; Y54-L80 HydrophobicContact CE2-CB 4.41Å; Y54-L80 HydrophobicContact CE2-CD1 4.01Å; Y54-L83 HydrophobicContact CE2-CD2 3.92Å
55D98.4Very high92.6Very high7 Ų739.1 Ų39.14%0.03721%0.21CC..EExtended strand (participates in β ladder)trans-89.6126.9162.666.1-59.6000110.3R8 Y42 L44 G159 L163R8-D55 IonicContact CZ-OD2 3.78Å; R8-D55 IonicContact NH1-OD1 3.65Å; R8-D55 IonicContact NH1-OD2 3.74Å; R8-D55 PolarHBondContact NH1-OD2 3.11Å; R8-D55 PolarHBondContact NH2-O 3.23Å; R8-D55 IonicContact NH2-OD2 3.6Å; Y42-D55 HydrophobicContact CE2-CB 3.98Å; Y42-D55 WeakPolarHBondContact OH-CB 3.21Å; L44-D55 HydrophobicContact CD2-CB 4.09Å; D55-G159 VanDerWaalsContact OD1-CA 3.27Å; D55-G159 WeakPolarHBondContact OD1-CA 3.47Å; D55-G159 PolarHBondContact OD1-N 2.95Å; D55-G159 VanDerWaalsContact OD1-N 3.11Å; D55-G159 PolarHBondContact OD2-N 2.95Å; D55-L163 HydrophobicContact CB-CD1 4.13Å
56L98.7Very high92.1Very high2 Ų242 Ų421%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-130.3139.2-168.5-57.1177000110.9L26 Y42 S43 M45 V70 E71 C72 L80L26-L56 HydrophobicContact CD2-CD1 3.62Å; Y42-L56 VanDerWaalsContact CD2-O 3.31Å; Y42-L56 WeakPolarHBondContact CD2-O 3.41Å; S43-L56 PolarHBondContact N-O 2.72Å; S43-L56 PolarHBondContact O-N 2.7Å; S43-L56 VanDerWaalsContact O-O 3.06Å; M45-L56 HydrophobicContact CB-CD1 4.13Å; M45-L56 HydrophobicContact CE-CD1 4.41Å; L56-V70 HydrophobicContact CB-CG1 4.39Å; L56-V70 HydrophobicContact CD1-CG1 4.33Å; L56-V70 HydrophobicContact CD2-CG1 4.03Å; L56-V70 HydrophobicContact CG-CG1 4.49Å; L56-E71 WeakPolarHBondContact CA-O 3.45Å; L56-C72 HydrophobicContact CD2-CB 3.54Å; L56-L80 HydrophobicContact CD2-CD2 3.58Å
57F98.5Very high91.8Very high0 Ų042.2 Ų42.20%023%0.229CC..EExtended strand (participates in β ladder)trans-107.7136.1165-54.8-104.7000108.2L41 Y42 Y59 V70 E71 P124 R125L41-F57 CarbonylContact O-C 3.57Å; L41-F57 VanDerWaalsContact O-CA 3.3Å; L41-F57 WeakPolarHBondContact O-CA 3.38Å; Y42-F57 AromaticContact CD2-CD1 3.87Å; Y42-F57 HydrophobicContact CD2-CD1 3.87Å; Y42-F57 HydrophobicContact CD2-CD2 4.24Å; Y42-F57 AromaticContact CD2-CE1 3.53Å; Y42-F57 HydrophobicContact CD2-CE1 3.53Å; Y42-F57 AromaticContact CD2-CE2 3.92Å; Y42-F57 HydrophobicContact CD2-CE2 3.92Å; Y42-F57 HydrophobicContact CD2-CG 4.18Å; Y42-F57 AromaticContact CD2-CZ 3.52Å; Y42-F57 HydrophobicContact CD2-CZ 3.52Å; Y42-F57 HydrophobicContact CE2-CD2 4.42Å; Y42-F57 HydrophobicContact CE2-CE1 4.06Å; Y42-F57 AromaticContact CE2-CE2 3.78Å; Y42-F57 HydrophobicContact CE2-CE2 3.78Å; Y42-F57 AromaticContact CE2-CZ 3.54Å; Y42-F57 HydrophobicContact CE2-CZ 3.54Å; Y42-F57 HydrophobicContact CG-CE1 4.24Å; F57-Y59 HydrophobicContact CB-CE1 4.21Å; F57-Y59 HydrophobicContact CB-CE2 3.81Å; F57-Y59 VanDerWaalsContact CB-CZ 3.46Å; F57-Y59 WeakPolarHBondContact CB-OH 3.28Å; F57-V70 CarbonylContact O-C 3.59Å; F57-V70 WeakPolarHBondContact O-CA 3.48Å; F57-E71 HydrophobicContact CB-CB 4.11Å; F57-E71 HydrophobicContact CD2-CG 4.44Å; F57-E71 PolarHBondContact N-O 3.09Å; F57-E71 PolarHBondContact O-N 2.73Å; F57-P124 HydrophobicContact CD1-CG 3.61Å; F57-P124 HydrophobicContact CE1-CG 4.08Å; F57-R125 HydrophobicContact CE1-CG 4.04Å; F57-R125 HydrophobicContact CZ-CG 4.44Å; F57-R125 VanDerWaalsContact CZ-CZ 3.42Å
58L98.3Very high91.8Very high0 Ų041.3 Ų41.30%022%0.223CC..EExtended strand (participates in β ladder)trans-115.1137.8178.5-56.7101.5000109.4L22 L26 V30 L33 A40 L41 I68 W69 V70L22-L58 HydrophobicContact CD1-CD2 3.59Å; L26-L58 HydrophobicContact CD1-CD1 3.99Å; L26-L58 HydrophobicContact CD1-CD2 3.54Å; L26-L58 HydrophobicContact CD1-CG 4.27Å; V30-L58 HydrophobicContact CG1-CD2 4.24Å; V30-L58 HydrophobicContact CG2-CD2 4.49Å; L33-L58 HydrophobicContact CD1-CB 3.78Å; A40-L58 CarbonylContact C-O 3.57Å; A40-L58 WeakPolarHBondContact CA-O 3.44Å; L41-L58 HydrophobicContact CB-CB 4.36Å; L41-L58 HydrophobicContact CB-CD1 4.11Å; L41-L58 PolarHBondContact N-O 3.01Å; L41-L58 PolarHBondContact O-N 2.9Å; L58-I68 HydrophobicContact CB-CG2 4.26Å; L58-I68 HydrophobicContact CD2-CG2 4.05Å; L58-W69 CarbonylContact C-O 3.57Å; L58-W69 VanDerWaalsContact CA-O 3.31Å; L58-W69 WeakPolarHBondContact CA-O 3.3Å; L58-V70 HydrophobicContact CD2-CG2 4.36Å
59Y96.3Very high91.8Very high0 Ų035.8 Ų35.80%019%0.19CC..EExtended strand (participates in β ladder)trans-132.2145.8178.3-42.9-83.1000111.4S39 A40 F57 I68 W69 E71 I119 V121 R132 L134S39-Y59 WeakPolarHBondContact O-CA 3.44Å; A40-Y59 HydrophobicContact CB-CD1 3.73Å; A40-Y59 HydrophobicContact CB-CE1 3.95Å; F57-Y59 HydrophobicContact CB-CE1 4.21Å; F57-Y59 HydrophobicContact CB-CE2 3.81Å; F57-Y59 VanDerWaalsContact CB-CZ 3.46Å; F57-Y59 WeakPolarHBondContact CB-OH 3.28Å; Y59-I68 WeakPolarHBondContact O-CA 3.24Å; Y59-W69 HydrophobicContact CD2-CB 4.03Å; Y59-W69 PolarHBondContact N-O 2.99Å; Y59-W69 PolarHBondContact O-N 3.01Å; Y59-E71 HydrophobicContact CE2-CB 3.79Å; Y59-E71 PolarHBondContact OH-OE2 3.05Å; Y59-I119 HydrophobicContact CD1-CG2 4.28Å; Y59-I119 HydrophobicContact CG-CG2 4.39Å; Y59-V121 HydrophobicContact CD1-CG2 3.77Å; Y59-V121 HydrophobicContact CE1-CG2 3.72Å; Y59-R132 WeakPolarHBondContact OH-CD 3.48Å; Y59-L134 HydrophobicContact CD2-CD1 4.23Å; Y59-L134 HydrophobicContact CD2-CD2 3.61Å; Y59-L134 HydrophobicContact CE1-CD1 4.48Å; Y59-L134 HydrophobicContact CE2-CD1 3.9Å; Y59-L134 HydrophobicContact CE2-CD2 3.96Å; Y59-L134 HydrophobicContact CG-CD2 4.21Å
60R91.3Very high91.9Very high33 Ų3329.3 Ų29.313%0.12517%0.166CC..  trans-115.9128.8169.6-179.8113.254.9169.6-12.2109.1L33 N34 S39 P65L33-R60 VanDerWaalsContact C-CZ 3.49Å; L33-R60 HydrophobicContact CB-CB 4.36Å; L33-R60 HydrophobicContact CD2-CB 4.34Å; L33-R60 PolarHBondContact O-NE 3.47Å; L33-R60 PolarHBondContact O-NH2 3.42Å; L33-R60 VanDerWaalsContact O-NH2 3.08Å; N34-R60 PolarHBondContact OD1-NH1 3.23Å; N34-R60 PolarHBondContact OD1-NH2 3.48Å; S39-R60 PolarHBondContact O-N 2.95Å; R60-P65 VanDerWaalsContact CD-O 3.27Å; R60-P65 WeakPolarHBondContact CD-O 3.35Å; R60-P65 PolarHBondContact NH1-O 3.45Å
61Q83.5Confident92Very high12 Ų1229.3 Ų29.36%0.05617%0.165CC..  trans-91.6135.1172-173.7166.544.700110.5Q63 H64 D117 I119Q61-Q63 VanDerWaalsContact C-N 3.26Å; Q61-Q63 PolarHBondContact O-N 2.99Å; Q61-H64 CarbonylContact O-C 3.48Å; Q61-H64 PolarHBondContact O-N 3.44Å; Q61-H64 PolarHBondContact OE1-CD2 2.97Å; Q61-D117 PolarHBondContact NE2-O 3.1Å; Q61-I119 HydrophobicContact CB-CD1 4.01Å; Q61-I119 HydrophobicContact CB-CG1 4.24Å; Q61-I119 HydrophobicContact CG-CG1 4.44Å
62G73.4Confident92Very high77 Ų7725.6 Ų25.679%0.79415%0.151SC*.THydrogen-bonded Turntrans-59.9-31.5-17800000114.6
63Q71.8Confident92Very high105 Ų10525.8 Ų25.849%0.49115%0.152SC..THydrogen-bonded Turntrans-79.6-17.2-179-64.5-165.9-4.200114.6Q61 S116 D117Q61-Q63 VanDerWaalsContact C-N 3.26Å; Q61-Q63 PolarHBondContact O-N 2.99Å; Q63-S116 VanDerWaalsContact NE2-CB 3.31Å; Q63-S116 PolarHBondContact NE2-OG 3.29Å; Q63-S116 VanDerWaalsContact NE2-OG 3.15Å; Q63-D117 PolarHBondContact NE2-OD1 3.36Å; Q63-D117 PolarHBondContact OE1-OD1 3.01Å; Q63-D117 VanDerWaalsContact OE1-OD1 3.13Å
64H78.8Confident92Very high74 Ų7426.3 Ų26.334%0.34316%0.159SC..  trans-129.178.5-179-65.7-57.6000109.3R12 Q61 T66 D67R12-H64 PolarHBondContact NH2-CD2 3.27Å; Q61-H64 CarbonylContact O-C 3.48Å; Q61-H64 PolarHBondContact O-N 3.44Å; Q61-H64 PolarHBondContact OE1-CD2 2.97Å; H64-T66 PolarHBondContact O-N 2.95Å; H64-T66 VanDerWaalsContact O-N 3.08Å; H64-D67 HydrophobicContact CB-CB 3.84Å; H64-D67 PolarHBondContact O-N 3.42Å
65P78.8Confident91.9Very high89 Ų8928.9 Ų28.958%0.57818%0.181SC*.THydrogen-bonded Turntrans-66.5-18.4-166.625.8-35.2000113.8R60R60-P65 VanDerWaalsContact CD-O 3.27Å; R60-P65 WeakPolarHBondContact CD-O 3.35Å; R60-P65 PolarHBondContact NH1-O 3.45Å
66T86.7Confident91.8Very high63 Ų6329.3 Ų29.339%0.38718%0.184SC..THydrogen-bonded Turntrans-89.1-19.6176.451.20000113.5C18 H64C18-T66 PolarHBondContact SG-O 2.86Å; H64-T66 PolarHBondContact O-N 2.95Å; H64-T66 VanDerWaalsContact O-N 3.08Å
67D93.1Very high91.8Very high6 Ų629.4 Ų29.43%0.03219%0.185CC..  trans-86.3140.7-170.1-6715.1000109.9R12 L13 H64R12-D67 IonicContact CZ-OD2 2.76Å; R12-D67 VanDerWaalsContact CZ-OD2 3.28Å; R12-D67 IonicContact NE-OD2 3.61Å; R12-D67 PolarHBondContact NE-OD2 2.97Å; R12-D67 IonicContact NH2-OD2 2.71Å; R12-D67 PolarHBondContact NH2-OD2 2.79Å; L13-D67 VanDerWaalsContact O-CA 3.26Å; L13-D67 WeakPolarHBondContact O-CA 3.43Å; H64-D67 HydrophobicContact CB-CB 3.84Å; H64-D67 PolarHBondContact O-N 3.42Å
68I96.5Very high91.7Very high0 Ų034.5 Ų34.50%021%0.212CC..EExtended strand (participates in β ladder)trans-124.3124.2174.5-61.2-179.1000108.2L13 C18 V19 L22 V30 L33 L58 Y59 V70L13-I68 PolarHBondContact N-O 3.09Å; L13-I68 PolarHBondContact O-N 3.19Å; C18-I68 HydrophobicContact CB-CD1 3.86Å; C18-I68 HydrophobicContact CB-CG1 4.05Å; V19-I68 HydrophobicContact CG2-CD1 3.93Å; L22-I68 HydrophobicContact CD1-CB 4.3Å; L22-I68 HydrophobicContact CD1-CD1 3.91Å; L22-I68 HydrophobicContact CD1-CG2 3.82Å; V30-I68 HydrophobicContact CG1-CD1 4.06Å; L33-I68 HydrophobicContact CD1-CD1 4.32Å; L33-I68 HydrophobicContact CD1-CG2 4.35Å; L58-I68 HydrophobicContact CB-CG2 4.26Å; L58-I68 HydrophobicContact CD2-CG2 4.05Å; Y59-I68 WeakPolarHBondContact O-CA 3.24Å; I68-V70 HydrophobicContact CG2-CG2 4.14Å
69W97.2Very high91.7Very high4 Ų437.8 Ų37.82%0.01524%0.235CC..EExtended strand (participates in β ladder)trans-86.2132.2168.4-66.983.6000108.7L10 L11 R12 L58 Y59 D98 K101 I119 L134L10-W69 HydrophobicContact CB-CE3 4.09Å; L10-W69 HydrophobicContact CB-CZ3 4.26Å; L10-W69 HydrophobicContact CD1-CE3 4.12Å; L10-W69 HydrophobicContact CD1-CZ3 4.16Å; L10-W69 HydrophobicContact CG-CE3 4.48Å; L11-W69 CarbonylContact O-C 3.58Å; L11-W69 WeakPolarHBondContact O-CA 3.11Å; R12-W69 HydrophobicContact CB-CE3 4.34Å; R12-W69 HydrophobicContact CB-CH2 4.47Å; R12-W69 HydrophobicContact CB-CZ3 4.31Å; R12-W69 HydrophobicContact CG-CD2 4.43Å; R12-W69 HydrophobicContact CG-CH2 4.49Å; R12-W69 HydrophobicContact CG-CZ2 4.24Å; L58-W69 CarbonylContact C-O 3.57Å; L58-W69 VanDerWaalsContact CA-O 3.31Å; L58-W69 WeakPolarHBondContact CA-O 3.3Å; Y59-W69 HydrophobicContact CD2-CB 4.03Å; Y59-W69 PolarHBondContact N-O 2.99Å; Y59-W69 PolarHBondContact O-N 3.01Å; W69-D98 HydrophobicContact CH2-CB 4.33Å; W69-D98 HydrophobicContact CZ3-CB 3.66Å; W69-K101 HydrophobicContact CH2-CD 3.96Å; W69-K101 HydrophobicContact CH2-CG 4.39Å; W69-K101 HydrophobicContact CZ2-CD 4.31Å; W69-K101 HydrophobicContact CZ3-CD 4.43Å; W69-I119 HydrophobicContact CG-CD1 4.14Å; W69-L134 HydrophobicContact CB-CD2 4.05Å; W69-L134 HydrophobicContact CD2-CD2 4.45Å; W69-L134 HydrophobicContact CE3-CD2 4.46Å; W69-L134 HydrophobicContact CG-CD2 4.29Å
70V98.4Very high91.8Very high1 Ų137.8 Ų37.81%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-118.9116.9176.71770000108.2L10 L11 L13 L22 L56 F57 L58 I68 L80L10-V70 CarbonylContact C-O 3.51Å; L10-V70 WeakPolarHBondContact CA-O 3.07Å; L11-V70 HydrophobicContact CB-CB 4.35Å; L11-V70 PolarHBondContact N-O 3.29Å; L11-V70 PolarHBondContact O-N 3.24Å; L13-V70 HydrophobicContact CD1-CB 4.33Å; L13-V70 HydrophobicContact CD1-CG2 3.76Å; L22-V70 HydrophobicContact CD1-CG2 4.26Å; L56-V70 HydrophobicContact CB-CG1 4.39Å; L56-V70 HydrophobicContact CD1-CG1 4.33Å; L56-V70 HydrophobicContact CD2-CG1 4.03Å; L56-V70 HydrophobicContact CG-CG1 4.49Å; F57-V70 CarbonylContact O-C 3.59Å; F57-V70 WeakPolarHBondContact O-CA 3.48Å; L58-V70 HydrophobicContact CD2-CG2 4.36Å; I68-V70 HydrophobicContact CG2-CG2 4.14Å; V70-L80 HydrophobicContact CG1-CD2 4.24Å
71E98.5Very high92.1Very high0 Ų036.4 Ų36.40%023%0.23CC..EExtended strand (participates in β ladder)trans-94129.7171.7179-163.6144.300110.6R8 R9 L10 L56 F57 Y59 V103 R132R8-E71 HydrophobicContact CB-CG 4.07Å; R8-E71 WeakPolarHBondContact CG-OE1 3.45Å; R8-E71 IonicContact CZ-OE1 2.75Å; R8-E71 IonicContact NE-OE1 3.31Å; R8-E71 PolarHBondContact NE-OE1 3.2Å; R8-E71 PolarHBondContact NH2-O 3.29Å; R8-E71 IonicContact NH2-OE1 2.85Å; R8-E71 PolarHBondContact NH2-OE1 2.81Å; R9-E71 VanDerWaalsContact O-CA 3.3Å; R9-E71 WeakPolarHBondContact O-CA 3.45Å; L10-E71 HydrophobicContact CD2-CB 3.82Å; L10-E71 HydrophobicContact CD2-CG 4.34Å; L56-E71 WeakPolarHBondContact CA-O 3.45Å; F57-E71 HydrophobicContact CB-CB 4.11Å; F57-E71 HydrophobicContact CD2-CG 4.44Å; F57-E71 PolarHBondContact N-O 3.09Å; F57-E71 PolarHBondContact O-N 2.73Å; Y59-E71 HydrophobicContact CE2-CB 3.79Å; Y59-E71 PolarHBondContact OH-OE2 3.05Å; E71-V103 HydrophobicContact CG-CG2 4.04Å; E71-V103 WeakPolarHBondContact OE2-CG1 3.39Å; E71-R132 IonicContact OE1-CZ 2.87Å; E71-R132 IonicContact OE1-NH1 2.74Å; E71-R132 PolarHBondContact OE1-NH1 2.76Å; E71-R132 IonicContact OE1-NH2 3.74Å; E71-R132 IonicContact OE2-CZ 2.8Å; E71-R132 IonicContact OE2-NH1 2.83Å; E71-R132 PolarHBondContact OE2-NH1 2.94Å
72C98.5Very high92.8Very high0 Ų039.4 Ų39.40%025%0.252CS..EExtended strand (participates in β ladder)trans-134.2174.6175.371.40000111.4R8 R9 L56 L80R8-C72 CarbonylContact C-O 3.6Å; R8-C72 WeakPolarHBondContact CA-O 3.24Å; R9-C72 PolarHBondContact N-O 3.12Å; R9-C72 PolarHBondContact O-N 3.5Å; L56-C72 HydrophobicContact CD2-CB 3.54Å; C72-L80 HydrophobicContact CB-CD2 3.52Å
73D98.4Very high93.9Very high6 Ų638 Ų383%0.03223%0.226CC..EExtended strand (participates in β ladder)trans-63.5140168-172.6-66.4000110.9N7 S75 V76 S77 G159 A160N7-D73 CarbonylContact O-C 3.6Å; N7-D73 VanDerWaalsContact O-CA 3.3Å; N7-D73 WeakPolarHBondContact O-CA 3.45Å; D73-S75 VanDerWaalsContact C-N 3.28Å; D73-S75 PolarHBondContact O-N 2.83Å; D73-S75 VanDerWaalsContact OD1-CB 3.26Å; D73-S75 WeakPolarHBondContact OD1-CB 3.26Å; D73-S75 PolarHBondContact OD1-N 3.32Å; D73-S75 PolarHBondContact OD1-OG 3.3Å; D73-V76 HydrophobicContact CB-CG2 3.99Å; D73-V76 WeakPolarHBondContact O-CG2 3.31Å; D73-V76 PolarHBondContact O-N 2.79Å; D73-S77 PolarHBondContact O-N 2.97Å; D73-G159 WeakPolarHBondContact OD2-CA 3.14Å; D73-A160 HydrophobicContact CB-CB 4.45Å; D73-A160 PolarHBondContact OD2-N 3.09Å
74S97.7Very high95.1Very high46 Ų4633 Ų3332%0.32220%0.203SC..G310 helixtrans-65.5-30.1-177.165.30000112.9N7 R9 V76 S77N7-S74 PolarHBondContact O-N 2.82Å; N7-S74 PolarHBondContact O-OG 3.28Å; R9-S74 VanDerWaalsContact CG-CB 3.48Å; S74-V76 PolarHBondContact O-N 3.26Å; S74-S77 PolarHBondContact O-OG 3.37Å
75S97.4Very high96Very high82 Ų8235.8 Ų35.857%0.57321%0.211SC*.G310 helixtrans-70.9-18.3178.868.10000113.6D73D73-S75 VanDerWaalsContact C-N 3.28Å; D73-S75 PolarHBondContact O-N 2.83Å; D73-S75 VanDerWaalsContact OD1-CB 3.26Å; D73-S75 WeakPolarHBondContact OD1-CB 3.26Å; D73-S75 PolarHBondContact OD1-N 3.32Å; D73-S75 PolarHBondContact OD1-OG 3.3Å
76V96.7Very high96.8Very high16 Ų1639.1 Ų39.110%0.09722%0.216CC..G310 helixtrans-114.92-177.8-560000113.5Y54 D73 S74 D78 S79 L80 A160Y54-V76 HydrophobicContact CD1-CB 3.95Å; Y54-V76 HydrophobicContact CD1-CG1 4.3Å; Y54-V76 HydrophobicContact CD1-CG2 3.65Å; Y54-V76 HydrophobicContact CE1-CB 3.73Å; Y54-V76 HydrophobicContact CE1-CG1 4.07Å; Y54-V76 HydrophobicContact CE1-CG2 3.97Å; D73-V76 HydrophobicContact CB-CG2 3.99Å; D73-V76 WeakPolarHBondContact O-CG2 3.31Å; D73-V76 PolarHBondContact O-N 2.79Å; S74-V76 PolarHBondContact O-N 3.26Å; V76-D78 PolarHBondContact O-N 3.01Å; V76-S79 PolarHBondContact O-N 2.98Å; V76-S79 VanDerWaalsContact O-N 3.16Å; V76-L80 PolarHBondContact O-N 3.43Å; V76-A160 HydrophobicContact CG1-CB 4.01Å
77S97.7Very high97.2Very high4 Ų439.6 Ų39.63%0.02821%0.214CC..Hα-helixtrans-62.4-40.5-17064.50000113.6D73 S74 C81D73-S77 PolarHBondContact O-N 2.97Å; S74-S77 PolarHBondContact O-OG 3.37Å; S77-C81 VanDerWaalsContact O-CB 3.25Å; S77-C81 WeakPolarHBondContact O-CB 3.39Å; S77-C81 PolarHBondContact O-N 2.93Å
78D97.7Very high97.3Very high107 Ų10740.7 Ų40.757%0.57222%0.22SC*.Hα-helixtrans-67-40.1176.3-68.3-63.9000112.2V76 C81 S82 L97V76-D78 PolarHBondContact O-N 3.01Å; D78-C81 PolarHBondContact O-N 3.24Å; D78-S82 WeakPolarHBondContact O-CB 3.31Å; D78-S82 PolarHBondContact O-N 2.91Å; D78-S82 PolarHBondContact O-OG 3.41Å; D78-L97 VanDerWaalsContact OD1-CD1 3.22Å; D78-L97 WeakPolarHBondContact OD1-CD1 3.4Å
79S97.3Very high96.9Very high69 Ų6946.7 Ų46.748%0.48325%0.252SS..Hα-helixtrans-65.5-44.9177.5-67.40000111V76 S82 L83V76-S79 PolarHBondContact O-N 2.98Å; V76-S79 VanDerWaalsContact O-N 3.16Å; S79-S82 PolarHBondContact O-N 2.85Å; S79-L83 VanDerWaalsContact O-CB 3.29Å; S79-L83 WeakPolarHBondContact O-CB 3.46Å; S79-L83 PolarHBondContact O-N 3.4Å
80L98Very high96.5Very high0 Ų055.4 Ų55.40%029%0.292CS..Hα-helixtrans-62.7-46.1174.9175.963000111.5L11 M45 Y54 L56 V70 C72 V76 S82 L83 L84L11-L80 HydrophobicContact CD1-CD2 4.08Å; L11-L80 HydrophobicContact CD2-CD2 4.33Å; L11-L80 HydrophobicContact CD2-CG 4.19Å; M45-L80 HydrophobicContact CE-CD1 3.81Å; M45-L80 HydrophobicContact SD-CD1 4.07Å; Y54-L80 HydrophobicContact CD2-CD1 3.75Å; Y54-L80 HydrophobicContact CE2-CB 4.41Å; Y54-L80 HydrophobicContact CE2-CD1 4.01Å; L56-L80 HydrophobicContact CD2-CD2 3.58Å; V70-L80 HydrophobicContact CG1-CD2 4.24Å; C72-L80 HydrophobicContact CB-CD2 3.52Å; V76-L80 PolarHBondContact O-N 3.43Å; L80-S82 VanDerWaalsContact C-N 3.34Å; L80-S82 PolarHBondContact O-N 2.94Å; L80-L83 PolarHBondContact O-N 2.99Å; L80-L84 HydrophobicContact CD1-CD1 3.98Å; L80-L84 HydrophobicContact CD1-CG 3.98Å; L80-L84 HydrophobicContact CG-CD1 4Å; L80-L84 HydrophobicContact CG-CG 4.4Å; L80-L84 WeakPolarHBondContact O-CB 3.31Å; L80-L84 WeakPolarHBondContact O-CG 3.4Å; L80-L84 PolarHBondContact O-N 2.82Å
81C98Very high96.2Very high4 Ų458.5 Ų58.53%0.02731%0.306CS..Hα-helixtrans-58.7-46.8178.6-173.90000111.2L11 S77 D78 L83 L84 R85 L97L11-C81 HydrophobicContact CD2-CB 3.72Å; S77-C81 VanDerWaalsContact O-CB 3.25Å; S77-C81 WeakPolarHBondContact O-CB 3.39Å; S77-C81 PolarHBondContact O-N 2.93Å; D78-C81 PolarHBondContact O-N 3.24Å; C81-L83 PolarHBondContact O-N 3.25Å; C81-L84 PolarHBondContact O-N 2.88Å; C81-R85 WeakPolarHBondContact O-CB 3.3Å; C81-R85 VanDerWaalsContact O-CG 3.31Å; C81-R85 WeakPolarHBondContact O-CG 3.42Å; C81-R85 PolarHBondContact O-N 2.86Å; C81-L97 HydrophobicContact CB-CD1 4.42Å; C81-L97 HydrophobicContact CB-CG 4.15Å
82S97.3Very high96.1Very high74 Ų7466.1 Ų66.152%0.51734%0.339SS..Hα-helixtrans-62.2-42.8176.9-58.80000112D78 S79 L80 R85 K86D78-S82 WeakPolarHBondContact O-CB 3.31Å; D78-S82 PolarHBondContact O-N 2.91Å; D78-S82 PolarHBondContact O-OG 3.41Å; S79-S82 PolarHBondContact O-N 2.85Å; L80-S82 VanDerWaalsContact C-N 3.34Å; L80-S82 PolarHBondContact O-N 2.94Å; S82-R85 PolarHBondContact O-N 2.82Å; S82-K86 PolarHBondContact O-N 2.73Å
83L96.5Very high96Very high48 Ų4866.8 Ų66.825%0.25134%0.343SS..Hα-helixtrans-64.2-45.8177.9-177.164.9000111.9M45 Y54 S79 L80 C81 K86 H87M45-L83 HydrophobicContact SD-CD2 3.43Å; M45-L83 WeakPolarHBondContact SD-CD2 3.36Å; M45-L83 HydrophobicContact SD-CG 4.48Å; Y54-L83 HydrophobicContact CE2-CD2 3.92Å; S79-L83 VanDerWaalsContact O-CB 3.29Å; S79-L83 WeakPolarHBondContact O-CB 3.46Å; S79-L83 PolarHBondContact O-N 3.4Å; L80-L83 PolarHBondContact O-N 2.99Å; C81-L83 PolarHBondContact O-N 3.25Å; L83-K86 WeakPolarHBondContact O-CB 3.35Å; L83-K86 PolarHBondContact O-N 3.4Å; L83-H87 PolarHBondContact O-N 2.83Å; L83-H87 PolarHBondContact O-ND1 2.91Å
84L97.7Very high95.9Very high1 Ų170 Ų701%0.00536%0.36CS..Hα-helixtrans-62.9-46.4177.7-72.8173.5000110.9L11 L13 L22 L25 M45 L80 C81 K86 H87 V88 V95L11-L84 HydrophobicContact CD2-CD1 3.99Å; L13-L84 HydrophobicContact CD1-CD1 4.34Å; L22-L84 HydrophobicContact CD2-CD2 3.88Å; L25-L84 HydrophobicContact CD1-CD2 3.91Å; M45-L84 HydrophobicContact CE-CD2 3.88Å; L80-L84 HydrophobicContact CD1-CD1 3.98Å; L80-L84 HydrophobicContact CD1-CG 3.98Å; L80-L84 HydrophobicContact CG-CD1 4Å; L80-L84 HydrophobicContact CG-CG 4.4Å; L80-L84 WeakPolarHBondContact O-CB 3.31Å; L80-L84 WeakPolarHBondContact O-CG 3.4Å; L80-L84 PolarHBondContact O-N 2.82Å; C81-L84 PolarHBondContact O-N 2.88Å; L84-K86 PolarHBondContact O-N 2.82Å; L84-H87 WeakPolarHBondContact O-CA 3.47Å; L84-H87 PolarHBondContact O-N 3.49Å; L84-V88 WeakPolarHBondContact O-CG2 3.47Å; L84-V88 PolarHBondContact O-N 2.84Å; L84-V95 HydrophobicContact CB-CG1 3.97Å; L84-V95 HydrophobicContact CB-CG2 4.39Å; L84-V95 HydrophobicContact CD1-CG1 4.22Å
85R96.8Very high95.9Very high132 Ų13268 Ų6850%0.49835%0.346SS..Hα-helixtrans-55.9-38.8175.2-75.2175.3175.9178.5-2.3112.5C81 S82 H87 V88 V95C81-R85 WeakPolarHBondContact O-CB 3.3Å; C81-R85 VanDerWaalsContact O-CG 3.31Å; C81-R85 WeakPolarHBondContact O-CG 3.42Å; C81-R85 PolarHBondContact O-N 2.86Å; S82-R85 PolarHBondContact O-N 2.82Å; R85-H87 PolarHBondContact O-N 2.65Å; R85-V88 WeakPolarHBondContact O-CB 3.16Å; R85-V88 PolarHBondContact O-N 3.21Å; R85-V95 HydrophobicContact CG-CB 3.92Å; R85-V95 HydrophobicContact CG-CG1 4.47Å; R85-V95 HydrophobicContact CG-CG2 4.47Å; R85-V95 VanDerWaalsContact CZ-O 3.29Å; R85-V95 PolarHBondContact NE-O 3.4Å; R85-V95 PolarHBondContact NH2-O 3.22Å
86K95.7Very high95.9Very high159 Ų15968.8 Ų68.869%0.69134%0.341SS*.Hα-helixtrans-63.2-29.4175.5-171.6178.5177.9-178.90112.9S82 L83 L84S82-K86 PolarHBondContact O-N 2.73Å; L83-K86 WeakPolarHBondContact O-CB 3.35Å; L83-K86 PolarHBondContact O-N 3.4Å; L84-K86 PolarHBondContact O-N 2.82Å
87H95.3Very high96Very high73 Ų7370.3 Ų70.334%0.33835%0.348SS..Hα-helixtrans-89.3-2.6179.3-69.290.5000114L21 L25 L83 L84 R85 L89L21-H87 HydrophobicContact CD1-CB 3.79Å; L21-H87 WeakPolarHBondContact CD1-O 3.27Å; L25-H87 HydrophobicContact CD1-CB 3.94Å; L83-H87 PolarHBondContact O-N 2.83Å; L83-H87 PolarHBondContact O-ND1 2.91Å; L84-H87 WeakPolarHBondContact O-CA 3.47Å; L84-H87 PolarHBondContact O-N 3.49Å; R85-H87 PolarHBondContact O-N 2.65Å; H87-L89 PolarHBondContact O-N 3.3Å
88V94.9Very high95.9Very high28 Ų2871 Ų7117%0.1735%0.351CS..THydrogen-bonded Turntrans-70.8-11.8179.4168.50000113.2L21 L84 R85 H90 K91 V93 V95L21-V88 HydrophobicContact CD2-CG2 3.94Å; L84-V88 WeakPolarHBondContact O-CG2 3.47Å; L84-V88 PolarHBondContact O-N 2.84Å; R85-V88 WeakPolarHBondContact O-CB 3.16Å; R85-V88 PolarHBondContact O-N 3.21Å; V88-H90 PolarHBondContact O-N 3.27Å; V88-H90 VanDerWaalsContact O-N 3.09Å; V88-K91 WeakPolarHBondContact O-CA 3.36Å; V88-K91 WeakPolarHBondContact O-CB 3.44Å; V88-K91 PolarHBondContact O-N 2.81Å; V88-V93 VanDerWaalsContact CG1-O 3.25Å; V88-V93 WeakPolarHBondContact CG1-O 3.29Å; V88-V93 HydrophobicContact CG2-CB 4.34Å; V88-V95 HydrophobicContact CG2-CG2 3.8Å
89L89.5Confident95.7Very high127 Ų12770.6 Ų70.667%0.66536%0.357SS*.THydrogen-bonded Turntrans-40.2119-178.8-93.9136.7000113.1H87 K91H87-L89 PolarHBondContact O-N 3.3Å; L89-K91 VanDerWaalsContact C-N 3.27Å; L89-K91 PolarHBondContact O-N 3Å
90H89.3Confident95.4Very high187 Ų18771.2 Ų71.287%0.86636%0.358SS*.THydrogen-bonded Turntrans65.413.5-177.9-50.7-72.1000117V88V88-H90 PolarHBondContact O-N 3.27Å; V88-H90 VanDerWaalsContact O-N 3.09Å
91K92.2Very high95.3Very high65 Ų6572.1 Ų72.128%0.28336%0.362SS..SBendtrans-109.2144.3173.2-64.8178.8179.1-86.50111D17 S20 L21 V88 L89 V93D17-K91 HydrophobicContact CB-CB 3.84Å; D17-K91 HydrophobicContact CB-CG 4.31Å; S20-K91 PolarHBondContact O-NZ 3.25Å; S20-K91 PolarHBondContact OG-NZ 3.19Å; L21-K91 HydrophobicContact CB-CD 3.73Å; L21-K91 HydrophobicContact CD1-CD 3.88Å; L21-K91 HydrophobicContact CG-CD 4.35Å; V88-K91 WeakPolarHBondContact O-CA 3.36Å; V88-K91 WeakPolarHBondContact O-CB 3.44Å; V88-K91 PolarHBondContact O-N 2.81Å; L89-K91 VanDerWaalsContact C-N 3.27Å; L89-K91 PolarHBondContact O-N 3Å; K91-V93 VanDerWaalsContact C-N 3.29Å; K91-V93 HydrophobicContact CB-CG2 4.22Å; K91-V93 PolarHBondContact O-N 3.5Å; K91-V93 VanDerWaalsContact O-N 3.1Å
92K95.3Very high95.1Very high160 Ų16074.2 Ų74.270%0.69637%0.371SS*.  trans-85.572.8174-64.7176.3179.3177.10109.6G15 P16 D17G15-K92 CarbonylContact C-O 3.57Å; G15-K92 WeakPolarHBondContact CA-O 3.38Å; P16-K92 WeakPolarHBondContact CD-O 3.37Å; P16-K92 HydrophobicContact CG-CB 3.94Å; P16-K92 HydrophobicContact CG-CD 4.38Å; D17-K92 PolarHBondContact OD2-N 2.66Å
93V97Very high95.1Very high14 Ų1470.7 Ų70.79%0.08535%0.347CS..  trans-135.3129.7176.8-175.40000109.3L13 V14 D17 L21 V88 K91 V95L13-V93 HydrophobicContact CB-CG1 4.18Å; L13-V93 HydrophobicContact CD2-CG1 4.29Å; L13-V93 HydrophobicContact CG-CG1 4.4Å; V14-V93 CarbonylContact O-C 3.55Å; V14-V93 WeakPolarHBondContact O-CA 3.15Å; D17-V93 HydrophobicContact CB-CG2 3.51Å; L21-V93 HydrophobicContact CB-CG2 4.43Å; L21-V93 HydrophobicContact CD2-CB 4.28Å; L21-V93 HydrophobicContact CD2-CG1 4.02Å; L21-V93 HydrophobicContact CD2-CG2 4.31Å; V88-V93 VanDerWaalsContact CG1-O 3.25Å; V88-V93 WeakPolarHBondContact CG1-O 3.29Å; V88-V93 HydrophobicContact CG2-CB 4.34Å; K91-V93 VanDerWaalsContact C-N 3.29Å; K91-V93 HydrophobicContact CB-CG2 4.22Å; K91-V93 PolarHBondContact O-N 3.5Å; K91-V93 VanDerWaalsContact O-N 3.1Å; V93-V95 HydrophobicContact CG1-CG2 4.01Å
94D96.6Very high95Very high75 Ų7568.9 Ų68.940%0.40134%0.336SS..EExtended strand (participates in β ladder)trans-98.6141.6163.4-176.535.7000109.9L13 V14 Q96L13-D94 CarbonylContact C-O 3.39Å; L13-D94 VanDerWaalsContact CA-O 3.29Å; L13-D94 WeakPolarHBondContact CA-O 3.39Å; V14-D94 PolarHBondContact N-O 3.2Å; V14-D94 PolarHBondContact O-N 2.99Å; D94-Q96 VanDerWaalsContact OD2-CD 3.28Å; D94-Q96 WeakPolarHBondContact OD2-CG 3.48Å; D94-Q96 PolarHBondContact OD2-NE2 2.96Å
95V97.9Very high94.8Very high2 Ų268.9 Ų68.91%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-129.1118.5-175.9-173.70000108.3L11 L13 L84 R85 V88 V93L11-V95 HydrophobicContact CD2-CG1 4.28Å; L13-V95 HydrophobicContact CD1-CG1 4.17Å; L13-V95 HydrophobicContact CD2-CG2 4.35Å; L13-V95 HydrophobicContact CG-CB 4.5Å; L13-V95 HydrophobicContact CG-CG1 4.17Å; L13-V95 HydrophobicContact CG-CG2 4.09Å; L84-V95 HydrophobicContact CB-CG1 3.97Å; L84-V95 HydrophobicContact CB-CG2 4.39Å; L84-V95 HydrophobicContact CD1-CG1 4.22Å; R85-V95 HydrophobicContact CG-CB 3.92Å; R85-V95 HydrophobicContact CG-CG1 4.47Å; R85-V95 HydrophobicContact CG-CG2 4.47Å; R85-V95 VanDerWaalsContact CZ-O 3.29Å; R85-V95 PolarHBondContact NE-O 3.4Å; R85-V95 PolarHBondContact NH2-O 3.22Å; V88-V95 HydrophobicContact CG2-CG2 3.8Å; V93-V95 HydrophobicContact CG1-CG2 4.01Å
96Q97.5Very high94.6Very high100 Ų10063.4 Ų63.447%0.46732%0.316SS..EExtended strand (participates in β ladder)trans-134.7147.1-177.7-56-170.3-0.800111.4L11 R12 D94L11-Q96 CarbonylContact C-O 3.58Å; L11-Q96 WeakPolarHBondContact CA-O 3.35Å; L11-Q96 WeakPolarHBondContact CB-O 3.25Å; R12-Q96 PolarHBondContact N-O 2.99Å; R12-Q96 PolarHBondContact O-N 3.08Å; D94-Q96 VanDerWaalsContact OD2-CD 3.28Å; D94-Q96 WeakPolarHBondContact OD2-CG 3.48Å; D94-Q96 PolarHBondContact OD2-NE2 2.96Å
97L97.6Very high94.1Very high47 Ų4759.3 Ų59.325%0.24630%0.298CS..EExtended strand (participates in β ladder)trans-73.8131.5163.7-77.7164.5000108.2L11 D78 C81L11-L97 HydrophobicContact CD1-CD2 3.86Å; L11-L97 HydrophobicContact CG-CD2 3.78Å; L11-L97 HydrophobicContact CG-CG 4.48Å; D78-L97 VanDerWaalsContact OD1-CD1 3.22Å; D78-L97 WeakPolarHBondContact OD1-CD1 3.4Å; C81-L97 HydrophobicContact CB-CD1 4.42Å; C81-L97 HydrophobicContact CB-CG 4.15Å
98D95.9Very high93Very high19 Ų1963 Ų6310%0.10232%0.321CS..  trans-86.6139.2173.4-173.672.1000110.3R9 L10 W69 T100 K101R9-D98 PolarHBondContact NH2-O 3.5Å; L10-D98 HydrophobicContact CB-CB 4.12Å; L10-D98 PolarHBondContact O-N 2.97Å; W69-D98 HydrophobicContact CH2-CB 4.33Å; W69-D98 HydrophobicContact CZ3-CB 3.66Å; D98-T100 PolarHBondContact OD1-OG1 3.35Å; D98-T100 PolarHBondContact OD2-N 3.01Å; D98-T100 PolarHBondContact OD2-OG1 3.43Å; D98-K101 PolarHBondContact OD2-N 2.78Å
99S92.8Very high91.2Very high98 Ų9865.5 Ų65.569%0.68534%0.344SS*.SBendtrans-117.5-3.2178.158.10000112.7
100T92.6Very high90.1Very high83 Ų8362.1 Ų62.151%0.50934%0.34SS..SBendtrans-95.3-45.3-172.463.40000111.6D98 D136D98-T100 PolarHBondContact OD1-OG1 3.35Å; D98-T100 PolarHBondContact OD2-N 3.01Å; D98-T100 PolarHBondContact OD2-OG1 3.43Å; T100-D136 WeakPolarHBondContact O-CB 3.36Å
101K94.2Very high89.3Confident19 Ų1960.4 Ų60.48%0.08333%0.33CS..  trans-98.4145.1-178.7-61.6-167.5-176.4-60.20111.4L10 W69 D98 D117 S135 D136L10-K101 HydrophobicContact CD1-CB 3.79Å; W69-K101 HydrophobicContact CH2-CD 3.96Å; W69-K101 HydrophobicContact CH2-CG 4.39Å; W69-K101 HydrophobicContact CZ2-CD 4.31Å; W69-K101 HydrophobicContact CZ3-CD 4.43Å; D98-K101 PolarHBondContact OD2-N 2.78Å; K101-D117 VanDerWaalsContact CE-O 3.31Å; K101-D117 WeakPolarHBondContact CE-O 2.97Å; K101-D117 PolarHBondContact NZ-O 3.36Å; K101-S135 CarbonylContact C-O 3.51Å; K101-S135 WeakPolarHBondContact CA-O 3.37Å; K101-D136 HydrophobicContact CG-CB 4.33Å; K101-D136 IonicContact NZ-OD2 3.76Å; K101-D136 PolarHBondContact NZ-OD2 2.93Å
102Q95.3Very high88.6Confident47 Ų4758.4 Ų58.422%0.2232%0.324CS..EExtended strand (participates in β ladder)trans-114.3165.2171.8-61.7-60.5-37.600109.6W4 Y104 L134 S135W4-Q102 VanDerWaalsContact NE1-OE1 3.15Å; Q102-Y104 HydrophobicContact CB-CE2 3.7Å; Q102-L134 WeakPolarHBondContact O-CA 3.46Å; Q102-S135 PolarHBondContact N-O 2.72Å; Q102-S135 PolarHBondContact O-N 3.48Å
103V95.8Very high87.7Confident1 Ų155.3 Ų55.31%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-105.1126.8177.2-171.60000109.5L5 R8 L10 E71 W133 L134L5-V103 HydrophobicContact CB-CB 4.47Å; L5-V103 HydrophobicContact CD1-CG1 3.95Å; L5-V103 PolarHBondContact N-O 3.33Å; R8-V103 HydrophobicContact CB-CB 4.25Å; R8-V103 HydrophobicContact CB-CG2 4.31Å; L10-V103 HydrophobicContact CD1-CG2 4.04Å; L10-V103 HydrophobicContact CD2-CG2 3.72Å; L10-V103 HydrophobicContact CG-CG2 3.73Å; E71-V103 HydrophobicContact CG-CG2 4.04Å; E71-V103 WeakPolarHBondContact OE2-CG1 3.39Å; V103-W133 WeakPolarHBondContact CA-O 3.39Å; V103-L134 HydrophobicContact CG1-CD1 4.43Å
104Y94.5Very high86.8Confident9 Ų958.8 Ų58.84%0.03534%0.34CS..EExtended strand (participates in β ladder)trans-118.5150.7175.4-56.6-90.6000111.2A2 C3 W4 Q102 R132 W133 Q137 P139A2-Y104 HydrophobicContact CB-CD1 4.23Å; C3-Y104 CarbonylContact O-C 3.5Å; C3-Y104 WeakPolarHBondContact O-CA 3.49Å; W4-Y104 HydrophobicContact CB-CD1 3.86Å; W4-Y104 HydrophobicContact CB-CE1 3.66Å; W4-Y104 HydrophobicContact CG-CD1 4.46Å; W4-Y104 AromaticContact CG-CE1 3.99Å; W4-Y104 HydrophobicContact CG-CE1 3.99Å; Q102-Y104 HydrophobicContact CB-CE2 3.7Å; Y104-R132 WeakPolarHBondContact O-CA 3.2Å; Y104-W133 AromaticContact CD2-CE3 3.97Å; Y104-W133 HydrophobicContact CD2-CE3 3.97Å; Y104-W133 HydrophobicContact CG-CE3 4.15Å; Y104-W133 PolarHBondContact N-O 2.59Å; Y104-W133 PolarHBondContact O-N 2.91Å; Y104-Q137 WeakPolarHBondContact CE2-O 3.3Å; Y104-Q137 PolarHBondContact OH-O 3.15Å; Y104-P139 HydrophobicContact CD1-CG 3.7Å; Y104-P139 HydrophobicContact CE1-CG 3.66Å; Y104-P139 HydrophobicContact CG-CG 4.24Å
105W94.3Very high86.1Confident1 Ų159.6 Ų59.60%0.00434%0.344CS..EExtended strand (participates in β ladder)trans-107.9143.8173.2173.384.1000111.5A2 C3 L5 K107 L129 A131 E146 K147A2-W105 CarbonylContact C-O 3.58Å; A2-W105 WeakPolarHBondContact CA-O 3.49Å; C3-W105 HydrophobicContact CB-CB 4.28Å; C3-W105 HydrophobicContact CB-CE3 3.94Å; C3-W105 PolarHBondContact N-O 3.29Å; C3-W105 PolarHBondContact O-N 3.33Å; L5-W105 HydrophobicContact CD1-CB 4.22Å; L5-W105 HydrophobicContact CD2-CB 3.88Å; L5-W105 HydrophobicContact CG-CB 4.14Å; W105-K107 HydrophobicContact CH2-CB 3.41Å; W105-K107 VanDerWaalsContact CH2-CB 3.41Å; W105-K107 HydrophobicContact CH2-CD 4.11Å; W105-K107 HydrophobicContact CH2-CG 4Å; W105-K107 HydrophobicContact CZ2-CB 3.73Å; W105-K107 HydrophobicContact CZ2-CG 4.12Å; W105-K107 HydrophobicContact CZ3-CB 4.06Å; W105-L129 PolarHBondContact NE1-O 3.47Å; W105-A131 WeakPolarHBondContact CA-O 3.4Å; W105-E146 HydrophobicContact CH2-CB 4.06Å; W105-E146 HydrophobicContact CH2-CG 4.09Å; W105-E146 HydrophobicContact CZ3-CB 4.29Å; W105-K147 HydrophobicContact CB-CG 4.39Å; W105-K147 HydrophobicContact CD2-CB 3.61Å; W105-K147 HydrophobicContact CD2-CG 3.7Å; W105-K147 HydrophobicContact CE3-CB 3.75Å; W105-K147 HydrophobicContact CE3-CG 4.33Å; W105-K147 HydrophobicContact CG-CB 4.14Å; W105-K147 HydrophobicContact CG-CG 3.71Å; W105-K147 HydrophobicContact CH2-CB 4Å; W105-K147 HydrophobicContact CZ2-CB 3.95Å; W105-K147 HydrophobicContact CZ2-CG 4.36Å; W105-K147 HydrophobicContact CZ3-CB 3.93Å
106F91.5Very high85.1Confident17 Ų1763.3 Ų63.38%0.07537%0.37CS..EExtended strand (participates in β ladder)trans-132.7128.2174.2-78.4-104.6000110A2 P112 F120 G130 A131 W133A2-F106 HydrophobicContact CB-CD2 4.4Å; A2-F106 HydrophobicContact CB-CE1 4.13Å; A2-F106 HydrophobicContact CB-CE2 3.58Å; A2-F106 HydrophobicContact CB-CZ 3.43Å; A2-F106 VanDerWaalsContact CB-CZ 3.43Å; F106-P112 HydrophobicContact CE1-CB 3.98Å; F106-P112 HydrophobicContact CE1-CG 3.98Å; F106-P112 HydrophobicContact CE2-CG 4.15Å; F106-P112 HydrophobicContact CZ-CB 3.82Å; F106-P112 HydrophobicContact CZ-CG 3.73Å; F106-F120 HydrophobicContact CB-CE2 4.27Å; F106-F120 HydrophobicContact CB-CZ 4.41Å; F106-F120 AromaticContact CD2-CE2 3.9Å; F106-F120 HydrophobicContact CD2-CE2 3.9Å; F106-F120 HydrophobicContact CE2-CE2 4.39Å; F106-F120 AromaticContact CG-CE2 4Å; F106-F120 HydrophobicContact CG-CE2 4Å; F106-G130 CarbonylContact O-C 3.47Å; F106-G130 VanDerWaalsContact O-CA 3.26Å; F106-G130 WeakPolarHBondContact O-CA 3.5Å; F106-A131 HydrophobicContact CB-CB 4.42Å; F106-A131 PolarHBondContact N-O 3.27Å; F106-A131 PolarHBondContact O-N 2.83Å; F106-W133 HydrophobicContact CD2-CB 4.2Å; F106-W133 HydrophobicContact CE2-CB 3.98Å; F106-W133 HydrophobicContact CE2-CD2 4.04Å; F106-W133 AromaticContact CE2-CE3 3.43Å; F106-W133 HydrophobicContact CE2-CE3 3.43Å; F106-W133 VanDerWaalsContact CE2-CE3 3.43Å; F106-W133 HydrophobicContact CE2-CG 4.34Å; F106-W133 HydrophobicContact CE2-CZ3 4.13Å; F106-W133 HydrophobicContact CZ-CD2 4.49Å; F106-W133 AromaticContact CZ-CE3 3.72Å; F106-W133 HydrophobicContact CZ-CE3 3.72Å; F106-W133 AromaticContact CZ-CZ3 3.95Å; F106-W133 HydrophobicContact CZ-CZ3 3.95Å
107K85.9Confident84.4Confident73 Ų7362.4 Ų62.432%0.31737%0.368SS..  trans-63.9-73.5178.7-171.6161.5173.3162.50113W105 G130 E146 E150W105-K107 HydrophobicContact CH2-CB 3.41Å; W105-K107 VanDerWaalsContact CH2-CB 3.41Å; W105-K107 HydrophobicContact CH2-CD 4.11Å; W105-K107 HydrophobicContact CH2-CG 4Å; W105-K107 HydrophobicContact CZ2-CB 3.73Å; W105-K107 HydrophobicContact CZ2-CG 4.12Å; W105-K107 HydrophobicContact CZ3-CB 4.06Å; K107-G130 WeakPolarHBondContact O-CA 3.47Å; K107-E146 HydrophobicContact CD-CG 3.72Å; K107-E146 WeakPolarHBondContact CD-OE1 3.43Å; K107-E146 WeakPolarHBondContact CD-OE2 3.39Å; K107-E146 VanDerWaalsContact CE-OE1 3.3Å; K107-E146 WeakPolarHBondContact CE-OE1 3.46Å; K107-E146 IonicContact NZ-OE1 3.61Å; K107-E146 PolarHBondContact NZ-OE1 3.24Å; K107-E150 WeakPolarHBondContact CE-OE1 3.43Å; K107-E150 IonicContact NZ-OE1 3.75Å; K107-E150 PolarHBondContact NZ-OE1 2.81Å
108D73.1Confident84Confident152 Ų15260.5 Ų60.581%0.81336%0.358SS*.SBendtrans179.274.9165.8-150.3-6.4000107.5
109A57.1Low83.7Confident80 Ų8060.1 Ų60.166%0.66136%0.356SS*.SBendtrans-13978.417900000108.8
110G66.5Low83.7Confident55 Ų5556.9 Ų56.957%0.56733%0.33SS*.  trans72.1134.6-178.100000112.8
111K71.6Confident83.7Confident152 Ų15253.2 Ų53.266%0.66131%0.307SS*.  trans-58.8129.1164.5-82.6-177.3172.4-1760107.8Y114 F120K111-Y114 HydrophobicContact CD-CE1 4.42Å; K111-F120 HydrophobicContact CD-CE1 4.47Å; K111-F120 HydrophobicContact CG-CD1 4.14Å; K111-F120 HydrophobicContact CG-CE1 3.73Å; K111-F120 HydrophobicContact CG-CZ 4.36Å
112P77.5Confident83.6Confident23 Ų2356.7 Ų56.715%0.14933%0.332CS..  trans-58.6155.5170.426.6-32000109.1F106 Y114 F120 W133F106-P112 HydrophobicContact CE1-CB 3.98Å; F106-P112 HydrophobicContact CE1-CG 3.98Å; F106-P112 HydrophobicContact CE2-CG 4.15Å; F106-P112 HydrophobicContact CZ-CB 3.82Å; F106-P112 HydrophobicContact CZ-CG 3.73Å; P112-Y114 HydrophobicContact CG-CD1 4.38Å; P112-Y114 VanDerWaalsContact O-CD1 3.24Å; P112-Y114 WeakPolarHBondContact O-CD1 3.32Å; P112-Y114 PolarHBondContact O-N 3.23Å; P112-F120 HydrophobicContact CG-CD2 3.48Å; P112-F120 VanDerWaalsContact CG-CD2 3.48Å; P112-F120 HydrophobicContact CG-CE2 3.48Å; P112-F120 VanDerWaalsContact CG-CE2 3.48Å; P112-F120 HydrophobicContact CG-CG 4.4Å; P112-F120 HydrophobicContact CG-CZ 4.38Å; P112-W133 HydrophobicContact CB-CH2 4.28Å; P112-W133 HydrophobicContact CB-CZ2 4.39Å; P112-W133 HydrophobicContact CB-CZ3 4.44Å; P112-W133 HydrophobicContact CG-CD2 4.19Å; P112-W133 HydrophobicContact CG-CE3 4.49Å
113A76.6Confident83.6Confident94 Ų9454.7 Ų54.778%0.77732%0.323SS*.  trans-67.9114.6162.200000106.8
114Y78.6Confident83.6Confident87 Ų8756.5 Ų56.534%0.34133%0.334SS..  trans-127.6144.7178.666.1-92.7000110.2K111 P112 E118 F120K111-Y114 HydrophobicContact CD-CE1 4.42Å; P112-Y114 HydrophobicContact CG-CD1 4.38Å; P112-Y114 VanDerWaalsContact O-CD1 3.24Å; P112-Y114 WeakPolarHBondContact O-CD1 3.32Å; P112-Y114 PolarHBondContact O-N 3.23Å; Y114-E118 WeakPolarHBondContact CA-OE2 3.39Å; Y114-E118 WeakPolarHBondContact CB-OE2 3.49Å; Y114-E118 HydrophobicContact CD2-CB 4.39Å; Y114-F120 HydrophobicContact CD1-CB 3.69Å; Y114-F120 HydrophobicContact CD1-CG 4.09Å; Y114-F120 HydrophobicContact CD2-CB 4.19Å; Y114-F120 HydrophobicContact CE1-CB 3.56Å; Y114-F120 HydrophobicContact CE1-CD1 4.18Å; Y114-F120 AromaticContact CE1-CG 3.93Å; Y114-F120 HydrophobicContact CE1-CG 3.93Å; Y114-F120 HydrophobicContact CE2-CB 4.06Å; Y114-F120 HydrophobicContact CG-CB 4.04Å
115N80.5Confident83.7Confident92 Ų9256.7 Ų56.749%0.49234%0.335SS..  trans-73.8160.6179.1-67.5-25000110.2D117 E118N115-D117 PolarHBondContact O-N 2.8Å; N115-E118 HydrophobicContact CB-CG 4.34Å; N115-E118 PolarHBondContact N-OE2 3.22Å; N115-E118 PolarHBondContact O-N 3.05Å
116S78.2Confident83.8Confident81 Ų8158 Ų5857%0.56634%0.342SS*.THydrogen-bonded Turntrans-56.9-21.6175.653.50000113.9Q63 E118Q63-S116 VanDerWaalsContact NE2-CB 3.31Å; Q63-S116 PolarHBondContact NE2-OG 3.29Å; Q63-S116 VanDerWaalsContact NE2-OG 3.15Å; S116-E118 VanDerWaalsContact C-N 3.31Å
117D82.5Confident83.8Confident80 Ų8061.6 Ų61.643%0.42838%0.375SS..THydrogen-bonded Turntrans-94.46.8-174-53.22.6000111.6Q61 Q63 K101 N115Q61-D117 PolarHBondContact NE2-O 3.1Å; Q63-D117 PolarHBondContact NE2-OD1 3.36Å; Q63-D117 PolarHBondContact OE1-OD1 3.01Å; Q63-D117 VanDerWaalsContact OE1-OD1 3.13Å; K101-D117 VanDerWaalsContact CE-O 3.31Å; K101-D117 WeakPolarHBondContact CE-O 2.97Å; K101-D117 PolarHBondContact NZ-O 3.36Å; N115-D117 PolarHBondContact O-N 2.8Å
118E88.5Confident84Confident8 Ų860.7 Ų60.74%0.03738%0.377CS..SBendtrans-107.9160.3174-61.4179.9130.600110.7Y114 N115 S116 L134 S135Y114-E118 WeakPolarHBondContact CA-OE2 3.39Å; Y114-E118 WeakPolarHBondContact CB-OE2 3.49Å; Y114-E118 HydrophobicContact CD2-CB 4.39Å; N115-E118 HydrophobicContact CB-CG 4.34Å; N115-E118 PolarHBondContact N-OE2 3.22Å; N115-E118 PolarHBondContact O-N 3.05Å; S116-E118 VanDerWaalsContact C-N 3.31Å; E118-L134 WeakPolarHBondContact CB-O 3.26Å; E118-S135 WeakPolarHBondContact OE1-CA 3.31Å; E118-S135 VanDerWaalsContact OE1-CB 3.22Å; E118-S135 WeakPolarHBondContact OE1-CB 3.37Å; E118-S135 PolarHBondContact OE1-OG 2.74Å
119I91.3Very high85Confident11 Ų1153.5 Ų53.56%0.05634%0.338CS..EExtended strand (participates in β ladder)trans-114.6115.3176.8-59.1180000107.9Y59 Q61 W69 V121 W133 L134Y59-I119 HydrophobicContact CD1-CG2 4.28Å; Y59-I119 HydrophobicContact CG-CG2 4.39Å; Q61-I119 HydrophobicContact CB-CD1 4.01Å; Q61-I119 HydrophobicContact CB-CG1 4.24Å; Q61-I119 HydrophobicContact CG-CG1 4.44Å; W69-I119 HydrophobicContact CG-CD1 4.14Å; I119-V121 HydrophobicContact CG2-CG1 3.67Å; I119-V121 HydrophobicContact CG2-CG2 4.13Å; I119-W133 CarbonylContact O-C 3.57Å; I119-W133 VanDerWaalsContact O-CA 3.26Å; I119-W133 WeakPolarHBondContact O-CA 3.29Å; I119-L134 HydrophobicContact CB-CB 4.16Å; I119-L134 HydrophobicContact CB-CD2 4.46Å; I119-L134 HydrophobicContact CD1-CD2 4.18Å; I119-L134 PolarHBondContact N-O 2.83Å; I119-L134 PolarHBondContact O-N 3.44Å
120F91.8Very high86.7Confident30 Ų3050.1 Ų50.113%0.13231%0.311CS..EExtended strand (participates in β ladder)trans-120112.4170.7-174.3-84.8000109.4F106 K111 P112 Y114 A131 R132 W133F106-F120 HydrophobicContact CB-CE2 4.27Å; F106-F120 HydrophobicContact CB-CZ 4.41Å; F106-F120 AromaticContact CD2-CE2 3.9Å; F106-F120 HydrophobicContact CD2-CE2 3.9Å; F106-F120 HydrophobicContact CE2-CE2 4.39Å; F106-F120 AromaticContact CG-CE2 4Å; F106-F120 HydrophobicContact CG-CE2 4Å; K111-F120 HydrophobicContact CD-CE1 4.47Å; K111-F120 HydrophobicContact CG-CD1 4.14Å; K111-F120 HydrophobicContact CG-CE1 3.73Å; K111-F120 HydrophobicContact CG-CZ 4.36Å; P112-F120 HydrophobicContact CG-CD2 3.48Å; P112-F120 VanDerWaalsContact CG-CD2 3.48Å; P112-F120 HydrophobicContact CG-CE2 3.48Å; P112-F120 VanDerWaalsContact CG-CE2 3.48Å; P112-F120 HydrophobicContact CG-CG 4.4Å; P112-F120 HydrophobicContact CG-CZ 4.38Å; Y114-F120 HydrophobicContact CD1-CB 3.69Å; Y114-F120 HydrophobicContact CD1-CG 4.09Å; Y114-F120 HydrophobicContact CD2-CB 4.19Å; Y114-F120 HydrophobicContact CE1-CB 3.56Å; Y114-F120 HydrophobicContact CE1-CD1 4.18Å; Y114-F120 AromaticContact CE1-CG 3.93Å; Y114-F120 HydrophobicContact CE1-CG 3.93Å; Y114-F120 HydrophobicContact CE2-CB 4.06Å; Y114-F120 HydrophobicContact CG-CB 4.04Å; F120-A131 HydrophobicContact CD1-CB 4.49Å; F120-A131 HydrophobicContact CE1-CB 3.68Å; F120-A131 HydrophobicContact CE2-CB 3.91Å; F120-A131 HydrophobicContact CZ-CB 3.35Å; F120-R132 WeakPolarHBondContact CA-O 2.97Å; F120-W133 HydrophobicContact CD2-CB 3.78Å; F120-W133 AromaticContact CD2-CD1 3.98Å; F120-W133 AromaticContact CD2-CG 3.91Å; F120-W133 HydrophobicContact CD2-CG 3.91Å; F120-W133 HydrophobicContact CE2-CB 4.32Å
121V92.2Very high88Confident6 Ų647.9 Ų47.94%0.03629%0.288CS..EExtended strand (participates in β ladder)trans-140.1146.2-171.3-65.90000110.9S39 A40 Y59 I119 A131 R132S39-V121 WeakPolarHBondContact OG-CG1 3.47Å; A40-V121 HydrophobicContact CB-CB 4.28Å; A40-V121 HydrophobicContact CB-CG2 3.9Å; Y59-V121 HydrophobicContact CD1-CG2 3.77Å; Y59-V121 HydrophobicContact CE1-CG2 3.72Å; I119-V121 HydrophobicContact CG2-CG1 3.67Å; I119-V121 HydrophobicContact CG2-CG2 4.13Å; V121-A131 CarbonylContact O-C 3.49Å; V121-A131 VanDerWaalsContact O-CA 3.24Å; V121-A131 WeakPolarHBondContact O-CA 3.49Å; V121-A131 VanDerWaalsContact O-CB 3.31Å; V121-A131 WeakPolarHBondContact O-CB 3.33Å; V121-R132 HydrophobicContact CG2-CB 4.38Å; V121-R132 PolarHBondContact N-O 2.92Å; V121-R132 PolarHBondContact O-N 2.5Å
122P93.1Very high89.1Confident91 Ų9140.7 Ų40.759%0.59126%0.257SS*.EExtended strand (participates in β ladder)trans-54.7146.6168.3-23.334.2000111.3P124 G130P122-P124 WeakPolarHBondContact O-CD 3.43Å; P122-G130 CarbonylContact C-O 3.6Å; P122-G130 WeakPolarHBondContact CA-O 3.22Å
123D95.2Very high89.9Confident6 Ų639.9 Ų39.93%0.03225%0.25CS..  trans-61.9123.5174.5-169.8-66000109.1R125 L129 G130 R132D123-R125 PolarHBondContact O-N 3.42Å; D123-R125 VanDerWaalsContact O-N 3.12Å; D123-R125 WeakPolarHBondContact OD1-CB 3.45Å; D123-R125 WeakPolarHBondContact OD1-CG 3.44Å; D123-R125 IonicContact OD1-CZ 2.73Å; D123-R125 PolarHBondContact OD1-N 3.26Å; D123-R125 IonicContact OD1-NE 2.83Å; D123-R125 PolarHBondContact OD1-NE 2.69Å; D123-R125 IonicContact OD1-NH2 3.4Å; D123-R125 IonicContact OD2-CZ 3.54Å; D123-R125 IonicContact OD2-NE 3.88Å; D123-R125 PolarHBondContact OD2-NE 3.09Å; D123-R125 IonicContact OD2-NH2 3.67Å; D123-R125 PolarHBondContact OD2-NH2 3.06Å; D123-L129 HydrophobicContact CB-CB 3.78Å; D123-G130 PolarHBondContact N-O 2.91Å; D123-R132 IonicContact OD2-CZ 3.95Å; D123-R132 IonicContact OD2-NE 2.92Å; D123-R132 PolarHBondContact OD2-NE 3.41Å; D123-R132 IonicContact OD2-NH2 3.76Å
124P95.9Very high90.8Very high38 Ų3835.4 Ų35.425%0.24721%0.213CC..SBendtrans-72.5-3.8-173.228.1-34.7000113.8A40 F57 P122A40-P124 HydrophobicContact CB-CB 4.21Å; A40-P124 HydrophobicContact CB-CG 4.16Å; F57-P124 HydrophobicContact CD1-CG 3.61Å; F57-P124 HydrophobicContact CE1-CG 4.08Å; P122-P124 WeakPolarHBondContact O-CD 3.43Å
125R96.7Very high91.4Very high13 Ų1331.2 Ų31.25%0.04920%0.197CC..SBendtrans-84.6-58.2177.4-62.8171.6-66.9-171.9-4.5111.6Y42 F57 D123 L129 E158 L178Y42-R125 HydrophobicContact CD1-CG 3.57Å; Y42-R125 HydrophobicContact CD2-CG 4.14Å; Y42-R125 HydrophobicContact CE1-CG 4Å; Y42-R125 HydrophobicContact CG-CG 3.66Å; F57-R125 HydrophobicContact CE1-CG 4.04Å; F57-R125 HydrophobicContact CZ-CG 4.44Å; F57-R125 VanDerWaalsContact CZ-CZ 3.42Å; D123-R125 PolarHBondContact O-N 3.42Å; D123-R125 VanDerWaalsContact O-N 3.12Å; D123-R125 WeakPolarHBondContact OD1-CB 3.45Å; D123-R125 WeakPolarHBondContact OD1-CG 3.44Å; D123-R125 IonicContact OD1-CZ 2.73Å; D123-R125 PolarHBondContact OD1-N 3.26Å; D123-R125 IonicContact OD1-NE 2.83Å; D123-R125 PolarHBondContact OD1-NE 2.69Å; D123-R125 IonicContact OD1-NH2 3.4Å; D123-R125 IonicContact OD2-CZ 3.54Å; D123-R125 IonicContact OD2-NE 3.88Å; D123-R125 PolarHBondContact OD2-NE 3.09Å; D123-R125 IonicContact OD2-NH2 3.67Å; D123-R125 PolarHBondContact OD2-NH2 3.06Å; R125-L129 HydrophobicContact CB-CD1 4.07Å; R125-E158 IonicContact CZ-OE2 3.55Å; R125-E158 VanDerWaalsContact CZ-OE2 3.28Å; R125-E158 IonicContact NH1-OE2 3.41Å; R125-E158 PolarHBondContact NH1-OE2 2.84Å; R125-E158 IonicContact NH2-OE2 3.81Å; R125-E158 PolarHBondContact NH2-OE2 2.81Å; R125-L178 HydrophobicContact CB-CD2 4.29Å
126L95.4Very high92Very high29 Ų2931.2 Ų31.215%0.15220%0.197CC..  trans-150143.1-179.3-66.5-177.3000110.6C128 L129 Q154 L156 L178 W287L126-C128 VanDerWaalsContact C-N 3.27Å; L126-C128 PolarHBondContact O-N 3.32Å; L126-L129 HydrophobicContact CB-CG 4.44Å; L126-L129 WeakPolarHBondContact O-CB 3.36Å; L126-L129 PolarHBondContact O-N 3.08Å; L126-L129 VanDerWaalsContact O-N 3.09Å; L126-Q154 HydrophobicContact CD1-CB 4.29Å; L126-Q154 HydrophobicContact CD1-CG 4.36Å; L126-L156 HydrophobicContact CB-CD1 4.46Å; L126-L156 HydrophobicContact CD1-CD1 3.58Å; L126-L156 HydrophobicContact CD1-CD2 4.49Å; L126-L156 HydrophobicContact CD1-CG 4.4Å; L126-L156 HydrophobicContact CG-CD1 3.99Å; L126-L178 HydrophobicContact CD2-CD2 4.31Å; L126-L178 HydrophobicContact CG-CD2 4.21Å; L126-W287 HydrophobicContact CD1-CB 4.29Å; L126-W287 HydrophobicContact CD1-CD2 4.04Å; L126-W287 HydrophobicContact CD1-CG 3.65Å; L126-W287 HydrophobicContact CD2-CB 3.78Å; L126-W287 HydrophobicContact CD2-CD2 3.99Å; L126-W287 HydrophobicContact CD2-CE3 4.25Å; L126-W287 HydrophobicContact CD2-CG 3.76Å; L126-W287 HydrophobicContact CG-CG 4.39Å
127A91.8Very high92.3Very high92 Ų9231.3 Ų31.376%0.7619%0.188SC*.G310 helixtrans-60.6-32.3178.600000113.7L129 G130A127-L129 PolarHBondContact O-N 2.8Å; A127-G130 PolarHBondContact O-N 2.87Å
128C90.7Very high92.4Very high54 Ų5435.8 Ų35.837%0.36520%0.204SC..G310 helixtrans-67.4-16.7178.763.20000113.6L126 G130L126-C128 VanDerWaalsContact C-N 3.27Å; L126-C128 PolarHBondContact O-N 3.32Å; C128-G130 PolarHBondContact O-N 2.71Å
129L93.5Very high92.2Very high1 Ų136.9 Ų36.91%0.00521%0.212CC..G310 helixtrans-80.55.6172.1-65.6177.9000112.5W105 D123 R125 L126 A127 A131 E150 A151 L156W105-L129 PolarHBondContact NE1-O 3.47Å; D123-L129 HydrophobicContact CB-CB 3.78Å; R125-L129 HydrophobicContact CB-CD1 4.07Å; L126-L129 HydrophobicContact CB-CG 4.44Å; L126-L129 WeakPolarHBondContact O-CB 3.36Å; L126-L129 PolarHBondContact O-N 3.08Å; L126-L129 VanDerWaalsContact O-N 3.09Å; A127-L129 PolarHBondContact O-N 2.8Å; L129-A131 PolarHBondContact O-N 2.74Å; L129-E150 HydrophobicContact CD2-CB 4.05Å; L129-A151 HydrophobicContact CD2-CB 4.18Å; L129-L156 HydrophobicContact CD1-CD1 3.3Å; L129-L156 HydrophobicContact CD2-CD1 4.25Å; L129-L156 HydrophobicContact CG-CD1 3.94Å
130G93.2Very high91.7Very high9 Ų943 Ų439%0.09325%0.245CC..  trans69.2-128.6173.100000112.9F106 K107 P122 D123 A127 C128F106-G130 CarbonylContact O-C 3.47Å; F106-G130 VanDerWaalsContact O-CA 3.26Å; F106-G130 WeakPolarHBondContact O-CA 3.5Å; K107-G130 WeakPolarHBondContact O-CA 3.47Å; P122-G130 CarbonylContact C-O 3.6Å; P122-G130 WeakPolarHBondContact CA-O 3.22Å; D123-G130 PolarHBondContact N-O 2.91Å; A127-G130 PolarHBondContact O-N 2.87Å; C128-G130 PolarHBondContact O-N 2.71Å
131A93.9Very high91.2Very high9 Ų944.8 Ų44.87%0.07426%0.256CS..EExtended strand (participates in β ladder)trans-133.7155.5-172.800000113.2W105 F106 F120 V121 L129W105-A131 WeakPolarHBondContact CA-O 3.4Å; F106-A131 HydrophobicContact CB-CB 4.42Å; F106-A131 PolarHBondContact N-O 3.27Å; F106-A131 PolarHBondContact O-N 2.83Å; F120-A131 HydrophobicContact CD1-CB 4.49Å; F120-A131 HydrophobicContact CE1-CB 3.68Å; F120-A131 HydrophobicContact CE2-CB 3.91Å; F120-A131 HydrophobicContact CZ-CB 3.35Å; V121-A131 CarbonylContact O-C 3.49Å; V121-A131 VanDerWaalsContact O-CA 3.24Å; V121-A131 WeakPolarHBondContact O-CA 3.49Å; V121-A131 VanDerWaalsContact O-CB 3.31Å; V121-A131 WeakPolarHBondContact O-CB 3.33Å; L129-A131 PolarHBondContact O-N 2.74Å
132R94.6Very high90.8Very high1 Ų146 Ų460%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-109134172.8-64.3-171.8166.4-96.23.8109.9Y59 E71 Y104 F120 V121 D123 E158Y59-R132 WeakPolarHBondContact OH-CD 3.48Å; E71-R132 IonicContact OE1-CZ 2.87Å; E71-R132 IonicContact OE1-NH1 2.74Å; E71-R132 PolarHBondContact OE1-NH1 2.76Å; E71-R132 IonicContact OE1-NH2 3.74Å; E71-R132 IonicContact OE2-CZ 2.8Å; E71-R132 IonicContact OE2-NH1 2.83Å; E71-R132 PolarHBondContact OE2-NH1 2.94Å; Y104-R132 WeakPolarHBondContact O-CA 3.2Å; F120-R132 WeakPolarHBondContact CA-O 2.97Å; V121-R132 HydrophobicContact CG2-CB 4.38Å; V121-R132 PolarHBondContact N-O 2.92Å; V121-R132 PolarHBondContact O-N 2.5Å; D123-R132 IonicContact OD2-CZ 3.95Å; D123-R132 IonicContact OD2-NE 2.92Å; D123-R132 PolarHBondContact OD2-NE 3.41Å; D123-R132 IonicContact OD2-NH2 3.76Å; R132-E158 IonicContact NH2-OE1 3.48Å; R132-E158 IonicContact NH2-OE2 3.28Å; R132-E158 PolarHBondContact NH2-OE2 2.6Å
133W93.9Very high90.4Very high5 Ų548.1 Ų48.12%0.01927%0.269CS..EExtended strand (participates in β ladder)trans-124.9117.2-179.9-174.534.9000110.6V103 Y104 F106 P112 I119 F120 S135 Q137 P139V103-W133 WeakPolarHBondContact CA-O 3.39Å; Y104-W133 AromaticContact CD2-CE3 3.97Å; Y104-W133 HydrophobicContact CD2-CE3 3.97Å; Y104-W133 HydrophobicContact CG-CE3 4.15Å; Y104-W133 PolarHBondContact N-O 2.59Å; Y104-W133 PolarHBondContact O-N 2.91Å; F106-W133 HydrophobicContact CD2-CB 4.2Å; F106-W133 HydrophobicContact CE2-CB 3.98Å; F106-W133 HydrophobicContact CE2-CD2 4.04Å; F106-W133 AromaticContact CE2-CE3 3.43Å; F106-W133 HydrophobicContact CE2-CE3 3.43Å; F106-W133 VanDerWaalsContact CE2-CE3 3.43Å; F106-W133 HydrophobicContact CE2-CG 4.34Å; F106-W133 HydrophobicContact CE2-CZ3 4.13Å; F106-W133 HydrophobicContact CZ-CD2 4.49Å; F106-W133 AromaticContact CZ-CE3 3.72Å; F106-W133 HydrophobicContact CZ-CE3 3.72Å; F106-W133 AromaticContact CZ-CZ3 3.95Å; F106-W133 HydrophobicContact CZ-CZ3 3.95Å; P112-W133 HydrophobicContact CB-CH2 4.28Å; P112-W133 HydrophobicContact CB-CZ2 4.39Å; P112-W133 HydrophobicContact CB-CZ3 4.44Å; P112-W133 HydrophobicContact CG-CD2 4.19Å; P112-W133 HydrophobicContact CG-CE3 4.49Å; I119-W133 CarbonylContact O-C 3.57Å; I119-W133 VanDerWaalsContact O-CA 3.26Å; I119-W133 WeakPolarHBondContact O-CA 3.29Å; F120-W133 HydrophobicContact CD2-CB 3.78Å; F120-W133 AromaticContact CD2-CD1 3.98Å; F120-W133 AromaticContact CD2-CG 3.91Å; F120-W133 HydrophobicContact CD2-CG 3.91Å; F120-W133 HydrophobicContact CE2-CB 4.32Å; W133-S135 VanDerWaalsContact CE2-CB 3.42Å; W133-S135 WeakPolarHBondContact CZ2-OG 3.09Å; W133-Q137 HydrophobicContact CH2-CB 4.36Å; W133-P139 HydrophobicContact CE3-CG 4.39Å; W133-P139 HydrophobicContact CZ3-CB 3.96Å; W133-P139 HydrophobicContact CZ3-CG 3.73Å
134L94.5Very high89.9Confident0 Ų048.1 Ų48.10%027%0.27CS..EExtended strand (participates in β ladder)trans-97.3108.3173-74.257.1000107.7L10 Y59 W69 Q102 V103 E118 I119L10-L134 HydrophobicContact CD1-CB 4.22Å; L10-L134 HydrophobicContact CD1-CD2 3.89Å; L10-L134 HydrophobicContact CD1-CG 3.75Å; L10-L134 HydrophobicContact CD2-CD2 3.57Å; L10-L134 HydrophobicContact CD2-CG 3.9Å; L10-L134 HydrophobicContact CG-CD2 4.39Å; L10-L134 HydrophobicContact CG-CG 4.46Å; Y59-L134 HydrophobicContact CD2-CD1 4.23Å; Y59-L134 HydrophobicContact CD2-CD2 3.61Å; Y59-L134 HydrophobicContact CE1-CD1 4.48Å; Y59-L134 HydrophobicContact CE2-CD1 3.9Å; Y59-L134 HydrophobicContact CE2-CD2 3.96Å; Y59-L134 HydrophobicContact CG-CD2 4.21Å; W69-L134 HydrophobicContact CB-CD2 4.05Å; W69-L134 HydrophobicContact CD2-CD2 4.45Å; W69-L134 HydrophobicContact CE3-CD2 4.46Å; W69-L134 HydrophobicContact CG-CD2 4.29Å; Q102-L134 WeakPolarHBondContact O-CA 3.46Å; V103-L134 HydrophobicContact CG1-CD1 4.43Å; E118-L134 WeakPolarHBondContact CB-O 3.26Å; I119-L134 HydrophobicContact CB-CB 4.16Å; I119-L134 HydrophobicContact CB-CD2 4.46Å; I119-L134 HydrophobicContact CD1-CD2 4.18Å; I119-L134 PolarHBondContact N-O 2.83Å; I119-L134 PolarHBondContact O-N 3.44Å
135S92.9Very high89.6Confident0 Ų050.9 Ų50.90%028%0.28CS..EExtended strand (participates in β ladder)trans-140144.7-169.3179.10000111.2K101 Q102 E118 W133 Q137K101-S135 CarbonylContact C-O 3.51Å; K101-S135 WeakPolarHBondContact CA-O 3.37Å; Q102-S135 PolarHBondContact N-O 2.72Å; Q102-S135 PolarHBondContact O-N 3.48Å; E118-S135 WeakPolarHBondContact OE1-CA 3.31Å; E118-S135 VanDerWaalsContact OE1-CB 3.22Å; E118-S135 WeakPolarHBondContact OE1-CB 3.37Å; E118-S135 PolarHBondContact OE1-OG 2.74Å; W133-S135 VanDerWaalsContact CE2-CB 3.42Å; W133-S135 WeakPolarHBondContact CZ2-OG 3.09Å; S135-Q137 VanDerWaalsContact C-N 3.35Å; S135-Q137 WeakPolarHBondContact OG-CA 3.38Å; S135-Q137 VanDerWaalsContact OG-CB 3.29Å; S135-Q137 WeakPolarHBondContact OG-CB 3.41Å; S135-Q137 PolarHBondContact OG-N 3.05Å
136D91.2Very high89.3Confident91 Ų9154.4 Ų54.449%0.48730%0.297SS..SBendtrans-89.3-7166.244.733.4000111.9T100 K101T100-D136 WeakPolarHBondContact O-CB 3.36Å; K101-D136 HydrophobicContact CG-CB 4.33Å; K101-D136 IonicContact NZ-OD2 3.76Å; K101-D136 PolarHBondContact NZ-OD2 2.93Å
137Q86.5Confident89.2Confident83 Ų8353.7 Ų53.739%0.38829%0.292SS..SBendtrans-77.1147.7171.7-55.1-166.71.800110.5Y104 W133 S135 P139Y104-Q137 WeakPolarHBondContact CE2-O 3.3Å; Y104-Q137 PolarHBondContact OH-O 3.15Å; W133-Q137 HydrophobicContact CH2-CB 4.36Å; S135-Q137 VanDerWaalsContact C-N 3.35Å; S135-Q137 WeakPolarHBondContact OG-CA 3.38Å; S135-Q137 VanDerWaalsContact OG-CB 3.29Å; S135-Q137 WeakPolarHBondContact OG-CB 3.41Å; S135-Q137 PolarHBondContact OG-N 3.05Å; Q137-P139 WeakPolarHBondContact O-CD 3.45Å
138K84.3Confident89.3Confident174 Ų17452.1 Ų52.176%0.75727%0.271SS*.  trans-106.387.7173.9-166.8177.3-179.9-178.70109.3
139P84.2Confident89.4Confident32 Ų3251 Ų5121%0.20826%0.262CS..PPolyproline II helixtrans-65.8170.1175.533.1-41.1000111.3A2 Y104 W133 Q137 D141A2-P139 HydrophobicContact CB-CB 3.81Å; A2-P139 HydrophobicContact CB-CG 3.4Å; Y104-P139 HydrophobicContact CD1-CG 3.7Å; Y104-P139 HydrophobicContact CE1-CG 3.66Å; Y104-P139 HydrophobicContact CG-CG 4.24Å; W133-P139 HydrophobicContact CE3-CG 4.39Å; W133-P139 HydrophobicContact CZ3-CB 3.96Å; W133-P139 HydrophobicContact CZ3-CG 3.73Å; Q137-P139 WeakPolarHBondContact O-CD 3.45Å; P139-D141 PolarHBondContact O-N 2.94Å
140D80.1Confident89.4Confident139 Ų13952.7 Ų52.774%0.74327%0.27SS*.PPolyproline II helixtrans-59.5121.3165.4-68.9-27.7000109.7
141D80.6Confident89.5Confident67 Ų6752.3 Ų52.336%0.35827%0.266SS..BIsolated β-bridgetrans-95.9127.8-171.8-169.122.7000110.1A2 C3 W4 P139A2-D141 WeakPolarHBondContact O-CA 3.17Å; C3-D141 WeakPolarHBondContact CA-OD1 3.29Å; W4-D141 PolarHBondContact N-OD1 2.65Å; P139-D141 PolarHBondContact O-N 2.94Å
142N84.2Confident89.7Confident33 Ų3352.7 Ų52.718%0.17627%0.266CS..PPolyproline II helixtrans-93.7164.216673.159.7000110.8M1 A2 C3 G144M1-N142 HydrophobicContact CB-CB 4.45Å; M1-N142 PolarHBondContact O-ND2 2.91Å; A2-N142 PolarHBondContact O-N 3.05Å; A2-N142 PolarHBondContact O-ND2 3.46Å; A2-N142 VanDerWaalsContact O-ND2 3.07Å; C3-N142 VanDerWaalsContact CB-OD1 3.27Å; C3-N142 WeakPolarHBondContact CB-OD1 3.4Å; N142-G144 PolarHBondContact O-N 3.06Å; N142-G144 VanDerWaalsContact O-N 3.13Å; N142-G144 WeakPolarHBondContact OD1-CA 3.49Å; N142-G144 PolarHBondContact OD1-N 3.34Å
143D84.2Confident89.7Confident135 Ų13553.3 Ų53.372%0.72227%0.27SS*.  trans-68.7-8.4-17559.516.2000115.3E145D143-E145 VanDerWaalsContact C-N 3.27Å; D143-E145 PolarHBondContact O-N 2.8Å; D143-E145 WeakPolarHBondContact OD1-CB 3.35Å; D143-E145 PolarHBondContact OD1-N 2.94Å
144G86.3Confident89.9Confident6 Ų654.2 Ų54.26%0.06228%0.275CS..SBendtrans76.37.6-179.500000115C3 N142 E146 K147 L148C3-G144 WeakPolarHBondContact SG-CA 3.43Å; N142-G144 PolarHBondContact O-N 3.06Å; N142-G144 VanDerWaalsContact O-N 3.13Å; N142-G144 WeakPolarHBondContact OD1-CA 3.49Å; N142-G144 PolarHBondContact OD1-N 3.34Å; G144-E146 PolarHBondContact O-N 3.41Å; G144-K147 PolarHBondContact O-N 3.06Å; G144-L148 PolarHBondContact O-N 3.31Å; G144-L148 VanDerWaalsContact O-N 3.13Å
145E89.6Confident90Very high96 Ų9654.4 Ų54.445%0.44928%0.276SS..Hα-helixtrans-58.1-42178.7-177.4172.1-166.900110.9D143 K147 L148 V149 S247D143-E145 VanDerWaalsContact C-N 3.27Å; D143-E145 PolarHBondContact O-N 2.8Å; D143-E145 WeakPolarHBondContact OD1-CB 3.35Å; D143-E145 PolarHBondContact OD1-N 2.94Å; E145-K147 VanDerWaalsContact C-N 3.35Å; E145-K147 PolarHBondContact O-N 3.39Å; E145-L148 WeakPolarHBondContact O-CB 3.31Å; E145-L148 PolarHBondContact O-N 3.12Å; E145-L148 VanDerWaalsContact O-N 3.15Å; E145-V149 HydrophobicContact CG-CG2 4.47Å; E145-V149 WeakPolarHBondContact O-CG2 3.47Å; E145-V149 PolarHBondContact O-N 3.06Å; E145-S247 WeakPolarHBondContact OE1-CB 3.38Å; E145-S247 PolarHBondContact OE1-OG 2.9Å
146E90.3Very high90.2Very high87 Ų8754.4 Ų54.441%0.40728%0.276SS..Hα-helixtrans-63.2-39.7-179.9-163.5174.9-151.600112.4W105 K107 G144 L148 V149 E150W105-E146 HydrophobicContact CH2-CB 4.06Å; W105-E146 HydrophobicContact CH2-CG 4.09Å; W105-E146 HydrophobicContact CZ3-CB 4.29Å; K107-E146 HydrophobicContact CD-CG 3.72Å; K107-E146 WeakPolarHBondContact CD-OE1 3.43Å; K107-E146 WeakPolarHBondContact CD-OE2 3.39Å; K107-E146 VanDerWaalsContact CE-OE1 3.3Å; K107-E146 WeakPolarHBondContact CE-OE1 3.46Å; K107-E146 IonicContact NZ-OE1 3.61Å; K107-E146 PolarHBondContact NZ-OE1 3.24Å; G144-E146 PolarHBondContact O-N 3.41Å; E146-L148 VanDerWaalsContact C-N 3.32Å; E146-L148 PolarHBondContact O-N 3.25Å; E146-V149 WeakPolarHBondContact O-CB 3.36Å; E146-V149 PolarHBondContact O-N 3.31Å; E146-E150 WeakPolarHBondContact O-CG 3.23Å; E146-E150 PolarHBondContact O-N 2.88Å
147K92.9Very high90.4Very high13 Ų1350.1 Ų50.16%0.05725%0.253CS..Hα-helixtrans-61.7-42.6174.4-176.9-94.6-174.5177.10111.2L5 W105 G144 E145 V149 E150 A151 E158L5-K147 HydrophobicContact CD2-CD 4.38Å; W105-K147 HydrophobicContact CB-CG 4.39Å; W105-K147 HydrophobicContact CD2-CB 3.61Å; W105-K147 HydrophobicContact CD2-CG 3.7Å; W105-K147 HydrophobicContact CE3-CB 3.75Å; W105-K147 HydrophobicContact CE3-CG 4.33Å; W105-K147 HydrophobicContact CG-CB 4.14Å; W105-K147 HydrophobicContact CG-CG 3.71Å; W105-K147 HydrophobicContact CH2-CB 4Å; W105-K147 HydrophobicContact CZ2-CB 3.95Å; W105-K147 HydrophobicContact CZ2-CG 4.36Å; W105-K147 HydrophobicContact CZ3-CB 3.93Å; G144-K147 PolarHBondContact O-N 3.06Å; E145-K147 VanDerWaalsContact C-N 3.35Å; E145-K147 PolarHBondContact O-N 3.39Å; K147-V149 VanDerWaalsContact C-N 3.35Å; K147-E150 PolarHBondContact O-N 3.04Å; K147-A151 WeakPolarHBondContact O-CB 3.43Å; K147-A151 PolarHBondContact O-N 3.38Å; K147-E158 IonicContact NZ-OE1 3.69Å; K147-E158 PolarHBondContact NZ-OE1 3.49Å; K147-E158 IonicContact NZ-OE2 2.97Å; K147-E158 PolarHBondContact NZ-OE2 3.2Å
148L92.8Very high90.9Very high59 Ų5946.3 Ų46.331%0.30924%0.235SC..Hα-helixtrans-64.2-41.3177.3-70.3171.8000111.3G144 E145 E146 A151 Y152G144-L148 PolarHBondContact O-N 3.31Å; G144-L148 VanDerWaalsContact O-N 3.13Å; E145-L148 WeakPolarHBondContact O-CB 3.31Å; E145-L148 PolarHBondContact O-N 3.12Å; E145-L148 VanDerWaalsContact O-N 3.15Å; E146-L148 VanDerWaalsContact C-N 3.32Å; E146-L148 PolarHBondContact O-N 3.25Å; L148-A151 PolarHBondContact O-N 2.86Å; L148-Y152 HydrophobicContact CD2-CE1 4.46Å; L148-Y152 HydrophobicContact CD2-CE2 4.23Å; L148-Y152 VanDerWaalsContact O-CB 3.31Å; L148-Y152 WeakPolarHBondContact O-CB 3.46Å; L148-Y152 PolarHBondContact O-N 2.9Å
149V94Very high91.5Very high30 Ų3038 Ų3818%0.18220%0.199CC..Hα-helixtrans-59-49.7174.8167.30000111.1E145 E146 K147 S153 S247 Y249E145-V149 HydrophobicContact CG-CG2 4.47Å; E145-V149 WeakPolarHBondContact O-CG2 3.47Å; E145-V149 PolarHBondContact O-N 3.06Å; E146-V149 WeakPolarHBondContact O-CB 3.36Å; E146-V149 PolarHBondContact O-N 3.31Å; K147-V149 VanDerWaalsContact C-N 3.35Å; V149-S153 WeakPolarHBondContact O-CB 3.37Å; V149-S153 PolarHBondContact O-N 3.44Å; V149-S153 PolarHBondContact O-OG 3.23Å; V149-S247 VanDerWaalsContact CG2-CB 3.49Å; V149-Y249 HydrophobicContact CG1-CD2 4.04Å; V149-Y249 HydrophobicContact CG1-CE2 3.82Å
150E93.8Very high92.1Very high37 Ų3737.2 Ų37.217%0.17320%0.196CC..Hα-helixtrans-61.6-46.8178.5-65.6-60.1163.800111.5K107 L129 E146 K147 S153 Q154K107-E150 WeakPolarHBondContact CE-OE1 3.43Å; K107-E150 IonicContact NZ-OE1 3.75Å; K107-E150 PolarHBondContact NZ-OE1 2.81Å; L129-E150 HydrophobicContact CD2-CB 4.05Å; E146-E150 WeakPolarHBondContact O-CG 3.23Å; E146-E150 PolarHBondContact O-N 2.88Å; K147-E150 PolarHBondContact O-N 3.04Å; E150-S153 PolarHBondContact O-OG 3.43Å; E150-S153 VanDerWaalsContact O-OG 3.04Å; E150-Q154 WeakPolarHBondContact O-CG 3.09Å; E150-Q154 PolarHBondContact O-N 3.29Å
151A95.9Very high92.8Very high2 Ų236.9 Ų36.92%0.01719%0.194CC..Hα-helixtrans-64.3-49.8-179.600000112.6L129 K147 L148 Q154 A155 L156L129-A151 HydrophobicContact CD2-CB 4.18Å; K147-A151 WeakPolarHBondContact O-CB 3.43Å; K147-A151 PolarHBondContact O-N 3.38Å; L148-A151 PolarHBondContact O-N 2.86Å; A151-Q154 CarbonylContact O-C 3.44Å; A151-Q154 PolarHBondContact O-N 2.87Å; A151-A155 PolarHBondContact O-N 2.94Å; A151-L156 PolarHBondContact O-N 2.9Å
152Y96.4Very high93.5Very high16 Ų1634.8 Ų34.86%0.06318%0.182CC..Hα-helixtrans-75.8-30.1-174.5-67.7-7.1000112.9L148 Q154 A155 E162 P209 A244 A245 G246 M251L148-Y152 HydrophobicContact CD2-CE1 4.46Å; L148-Y152 HydrophobicContact CD2-CE2 4.23Å; L148-Y152 VanDerWaalsContact O-CB 3.31Å; L148-Y152 WeakPolarHBondContact O-CB 3.46Å; L148-Y152 PolarHBondContact O-N 2.9Å; Y152-Q154 PolarHBondContact O-N 2.84Å; Y152-A155 PolarHBondContact O-N 3.48Å; Y152-A155 VanDerWaalsContact O-N 3.13Å; Y152-E162 PolarHBondContact OH-OE1 3.41Å; Y152-P209 WeakPolarHBondContact O-CB 3.44Å; Y152-A244 HydrophobicContact CE1-CB 4.37Å; Y152-A244 HydrophobicContact CE2-CB 4.47Å; Y152-A245 WeakPolarHBondContact CE2-O 3.43Å; Y152-G246 VanDerWaalsContact CD2-N 3.34Å; Y152-M251 HydrophobicContact CD1-CE 3.63Å; Y152-M251 HydrophobicContact CD1-CG 3.84Å; Y152-M251 HydrophobicContact CD1-SD 3.68Å; Y152-M251 HydrophobicContact CE1-CE 3.42Å; Y152-M251 VanDerWaalsContact CE1-CE 3.42Å; Y152-M251 HydrophobicContact CE1-CG 4.49Å; Y152-M251 HydrophobicContact CE1-SD 4.11Å; Y152-M251 HydrophobicContact CG-CG 4.21Å
153S96.1Very high94.1Very high14 Ų1433.5 Ų33.510%0.09818%0.175CC..Hα-helixtrans-64.1-21171.770.70000113V149 E150 P209V149-S153 WeakPolarHBondContact O-CB 3.37Å; V149-S153 PolarHBondContact O-N 3.44Å; V149-S153 PolarHBondContact O-OG 3.23Å; E150-S153 PolarHBondContact O-OG 3.43Å; E150-S153 VanDerWaalsContact O-OG 3.04Å; S153-P209 VanDerWaalsContact O-CB 3.31Å; S153-P209 WeakPolarHBondContact O-CB 3.45Å; S153-P209 WeakPolarHBondContact O-CG 3.19Å
154Q96.4Very high94.6Very high25 Ų2528.4 Ų28.412%0.11715%0.149CC..THydrogen-bonded Turntrans-105.72.2175.5-57.7-56.3-29.100113.6L126 E150 A151 Y152 L156 W287L126-Q154 HydrophobicContact CD1-CB 4.29Å; L126-Q154 HydrophobicContact CD1-CG 4.36Å; E150-Q154 WeakPolarHBondContact O-CG 3.09Å; E150-Q154 PolarHBondContact O-N 3.29Å; A151-Q154 CarbonylContact O-C 3.44Å; A151-Q154 PolarHBondContact O-N 2.87Å; Y152-Q154 PolarHBondContact O-N 2.84Å; Q154-L156 VanDerWaalsContact C-N 3.32Å; Q154-L156 HydrophobicContact CB-CD1 4.2Å; Q154-L156 HydrophobicContact CB-CG 3.95Å; Q154-L156 PolarHBondContact O-N 3.47Å; Q154-W287 PolarHBondContact O-NE1 3.36Å; Q154-W287 VanDerWaalsContact OE1-CD1 3.23Å
155A97.1Very high95.1Very high3 Ų330.6 Ų30.63%0.02516%0.163CC..THydrogen-bonded Turntrans50.245.5-173.200000115.4A151 Y152 P157 L207 P209 M251A151-A155 PolarHBondContact O-N 2.94Å; Y152-A155 PolarHBondContact O-N 3.48Å; Y152-A155 VanDerWaalsContact O-N 3.13Å; A155-P157 WeakPolarHBondContact O-CD 3.4Å; A155-L207 HydrophobicContact CB-CB 4.28Å; A155-P209 HydrophobicContact CB-CB 4.24Å; A155-P209 VanDerWaalsContact CB-CD 3.47Å; A155-P209 HydrophobicContact CB-CG 3.81Å; A155-P209 VanDerWaalsContact CB-N 3.34Å; A155-M251 VanDerWaalsContact CA-SD 3.55Å; A155-M251 HydrophobicContact CB-CB 4.5Å; A155-M251 HydrophobicContact CB-CG 4.08Å; A155-M251 HydrophobicContact CB-SD 4.31Å
156L97Very high95.5Very high1 Ų128.5 Ų28.51%0.00515%0.154CC..  trans-96112176.3-62.8-176.3000110.8L126 L129 A151 Q154 L178 M251 W287L126-L156 HydrophobicContact CB-CD1 4.46Å; L126-L156 HydrophobicContact CD1-CD1 3.58Å; L126-L156 HydrophobicContact CD1-CD2 4.49Å; L126-L156 HydrophobicContact CD1-CG 4.4Å; L126-L156 HydrophobicContact CG-CD1 3.99Å; L129-L156 HydrophobicContact CD1-CD1 3.3Å; L129-L156 HydrophobicContact CD2-CD1 4.25Å; L129-L156 HydrophobicContact CG-CD1 3.94Å; A151-L156 PolarHBondContact O-N 2.9Å; Q154-L156 VanDerWaalsContact C-N 3.32Å; Q154-L156 HydrophobicContact CB-CD1 4.2Å; Q154-L156 HydrophobicContact CB-CG 3.95Å; Q154-L156 PolarHBondContact O-N 3.47Å; L156-L178 HydrophobicContact CD2-CD1 3.79Å; L156-L178 HydrophobicContact CD2-CD2 3.67Å; L156-L178 HydrophobicContact CD2-CG 4.31Å; L156-M251 VanDerWaalsContact C-SD 3.54Å; L156-W287 HydrophobicContact CD2-CH2 4.36Å; L156-W287 HydrophobicContact CD2-CZ2 3.75Å
157P96.9Very high95.7Very high1 Ų127.3 Ų27.31%0.00615%0.153CC..  trans-80.6157.8177.137.5-40000112.2A155 E162 L163 M173 L207 M251A155-P157 WeakPolarHBondContact O-CD 3.4Å; P157-E162 WeakPolarHBondContact CA-OE2 3.42Å; P157-E162 HydrophobicContact CB-CB 3.93Å; P157-L163 HydrophobicContact CB-CD1 4.07Å; P157-L163 HydrophobicContact CB-CD2 4.13Å; P157-L163 HydrophobicContact CB-CG 3.8Å; P157-L163 HydrophobicContact CG-CD1 3.77Å; P157-L163 HydrophobicContact CG-CD2 3.91Å; P157-L163 HydrophobicContact CG-CG 3.88Å; P157-M173 HydrophobicContact CG-CB 4Å; P157-M173 HydrophobicContact CG-CE 3.68Å; P157-L207 HydrophobicContact CB-CD1 3.95Å; P157-L207 HydrophobicContact CG-CD1 3.46Å; P157-L207 VanDerWaalsContact CG-CD1 3.46Å; P157-M251 HydrophobicContact CB-CE 4.08Å
158E96.8Very high95.9Very high2 Ų227.1 Ų27.11%0.00915%0.153CC..  trans-150.8122.6175.4-169.6175.3105.500111.5R125 R132 K147 E162R125-E158 IonicContact CZ-OE2 3.55Å; R125-E158 VanDerWaalsContact CZ-OE2 3.28Å; R125-E158 IonicContact NH1-OE2 3.41Å; R125-E158 PolarHBondContact NH1-OE2 2.84Å; R125-E158 IonicContact NH2-OE2 3.81Å; R125-E158 PolarHBondContact NH2-OE2 2.81Å; R132-E158 IonicContact NH2-OE1 3.48Å; R132-E158 IonicContact NH2-OE2 3.28Å; R132-E158 PolarHBondContact NH2-OE2 2.6Å; K147-E158 IonicContact NZ-OE1 3.69Å; K147-E158 PolarHBondContact NZ-OE1 3.49Å; K147-E158 IonicContact NZ-OE2 2.97Å; K147-E158 PolarHBondContact NZ-OE2 3.2Å; E158-E162 PolarHBondContact N-OE2 2.98Å
159G97Very high96.1Very high0 Ų027.3 Ų27.30%015%0.152CC..SBendtrans81.4179.217500000116.1D55 D73 N161 E162 L163D55-G159 VanDerWaalsContact OD1-CA 3.27Å; D55-G159 WeakPolarHBondContact OD1-CA 3.47Å; D55-G159 PolarHBondContact OD1-N 2.95Å; D55-G159 VanDerWaalsContact OD1-N 3.11Å; D55-G159 PolarHBondContact OD2-N 2.95Å; D73-G159 WeakPolarHBondContact OD2-CA 3.14Å; G159-N161 VanDerWaalsContact C-N 3.34Å; G159-N161 PolarHBondContact O-N 3.26Å; G159-E162 PolarHBondContact O-N 2.72Å; G159-L163 PolarHBondContact O-N 2.98Å
160A96.1Very high96.3Very high16 Ų1626 Ų2613%0.13214%0.144CC..THydrogen-bonded Turntrans-75-21.6-162.700000113.7D73 V76 E162 L163 P164D73-A160 HydrophobicContact CB-CB 4.45Å; D73-A160 PolarHBondContact OD2-N 3.09Å; V76-A160 HydrophobicContact CG1-CB 4.01Å; A160-E162 VanDerWaalsContact C-N 3.34Å; A160-L163 CarbonylContact O-C 3.57Å; A160-P164 WeakPolarHBondContact O-CA 3.36Å
161N94.2Very high96.5Very high132 Ų13224.6 Ų24.671%0.70614%0.137SC*.THydrogen-bonded Turntrans-70.5-34.4174.9-71.5-23.6000111.7G159 F225G159-N161 VanDerWaalsContact C-N 3.34Å; G159-N161 PolarHBondContact O-N 3.26Å; N161-F225 WeakPolarHBondContact O-CE2 3.15Å
162E95.7Very high96.5Very high23 Ų2326.4 Ų26.411%0.10715%0.145CC..THydrogen-bonded Turntrans-95.9-33.5-176-62169.7-15600111.3Y152 P157 E158 G159 A160 P164 A244 M251Y152-E162 PolarHBondContact OH-OE1 3.41Å; P157-E162 WeakPolarHBondContact CA-OE2 3.42Å; P157-E162 HydrophobicContact CB-CB 3.93Å; E158-E162 PolarHBondContact N-OE2 2.98Å; G159-E162 PolarHBondContact O-N 2.72Å; A160-E162 VanDerWaalsContact C-N 3.34Å; E162-P164 WeakPolarHBondContact O-CD 3.42Å; E162-A244 HydrophobicContact CG-CB 4.04Å; E162-M251 HydrophobicContact CB-CE 4.37Å; E162-M251 HydrophobicContact CG-CE 4.22Å; E162-M251 WeakPolarHBondContact OE2-CE 3.44Å
163L96Very high96.6Very high5 Ų525.8 Ų25.83%0.02614%0.143CC..SBendtrans-120.775.2172.6-64.4171.5000110.8I52 D55 P157 G159 A160 M173I52-L163 HydrophobicContact CD1-CD2 4.4Å; D55-L163 HydrophobicContact CB-CD1 4.13Å; P157-L163 HydrophobicContact CB-CD1 4.07Å; P157-L163 HydrophobicContact CB-CD2 4.13Å; P157-L163 HydrophobicContact CB-CG 3.8Å; P157-L163 HydrophobicContact CG-CD1 3.77Å; P157-L163 HydrophobicContact CG-CD2 3.91Å; P157-L163 HydrophobicContact CG-CG 3.88Å; G159-L163 PolarHBondContact O-N 2.98Å; A160-L163 CarbonylContact O-C 3.57Å; L163-M173 HydrophobicContact CD1-CE 4.48Å; L163-M173 HydrophobicContact CD2-CB 4.21Å; L163-M173 HydrophobicContact CD2-CG 4.45Å
164P96.3Very high96.6Very high28 Ų2825.2 Ų25.218%0.18214%0.139CC..  trans-57.7134.7177.4-23.733000111.1A160 E162 D166 T167 F225A160-P164 WeakPolarHBondContact O-CA 3.36Å; E162-P164 WeakPolarHBondContact O-CD 3.42Å; P164-D166 PolarHBondContact O-N 2.9Å; P164-T167 HydrophobicContact CB-CG2 3.82Å; P164-T167 WeakPolarHBondContact O-CB 3.14Å; P164-T167 WeakPolarHBondContact O-CG2 3.38Å; P164-T167 PolarHBondContact O-N 3.02Å; P164-T167 PolarHBondContact O-OG1 3.43Å; P164-F225 HydrophobicContact CG-CE1 4.14Å; P164-F225 HydrophobicContact CG-CE2 4.4Å; P164-F225 HydrophobicContact CG-CZ 3.62Å
165P97.1Very high96.7Very high53 Ų5324 Ų2434%0.34413%0.133SC..THydrogen-bonded Turntrans-52.6142.4-179.7-27.433.4000112.2I52 L53 T167I52-P165 CarbonylContact O-C 3.52Å; L53-P165 HydrophobicContact CD2-CB 4.33Å; P165-T167 PolarHBondContact O-N 3.49Å
166D96.6Very high96.7Very high51 Ų5125.2 Ų25.227%0.27314%0.14SC..THydrogen-bonded Turntrans65.218.4176.6-169.538.3000115.2N47 R49 R51 I52 P164N47-D166 PolarHBondContact ND2-OD1 2.96Å; R49-D166 IonicContact CZ-OD1 3.79Å; R49-D166 IonicContact CZ-OD2 2.69Å; R49-D166 IonicContact NE-OD1 2.66Å; R49-D166 IonicContact NH2-OD1 3.87Å; R49-D166 PolarHBondContact NH2-OD1 3.43Å; R49-D166 IonicContact NH2-OD2 3.73Å; R49-D166 PolarHBondContact NH2-OD2 2.96Å; R51-D166 WeakPolarHBondContact CD-O 3.17Å; R51-D166 WeakPolarHBondContact CD-OD1 3.38Å; R51-D166 PolarHBondContact NH1-O 3.04Å; R51-D166 IonicContact NH1-OD1 2.76Å; I52-D166 PolarHBondContact O-N 3.11Å; P164-D166 PolarHBondContact O-N 2.9Å
167T95.7Very high96.7Very high62 Ų6227.6 Ų27.638%0.3815%0.152SC..THydrogen-bonded Turntrans-104.6-53.7178.4660000114.1P164 P165P164-T167 HydrophobicContact CB-CG2 3.82Å; P164-T167 WeakPolarHBondContact O-CB 3.14Å; P164-T167 WeakPolarHBondContact O-CG2 3.38Å; P164-T167 PolarHBondContact O-N 3.02Å; P164-T167 PolarHBondContact O-OG1 3.43Å; P165-T167 PolarHBondContact O-N 3.49Å
168S95.8Very high96.7Very high9 Ų928 Ų286%0.06315%0.154CC..  trans-104.4154.3-164.9-52.70000111.8R51 I52 E172R51-S168 WeakPolarHBondContact CA-O 3.31Å; I52-S168 WeakPolarHBondContact CG1-O 3.32Å; I52-S168 PolarHBondContact N-O 3.01Å; S168-E172 WeakPolarHBondContact CA-OE2 3.46Å
169F97.2Very high96.5Very high64 Ų6429.6 Ų29.628%0.28117%0.171SC..  trans-96.1152.4173.5-66.1-75.9000111.7G50 R51 H171 E172 L193G50-F169 WeakPolarHBondContact O-CD1 3.25Å; R51-F169 HydrophobicContact CG-CD1 4.1Å; R51-F169 HydrophobicContact CG-CE1 3.59Å; R51-F169 HydrophobicContact CG-CZ 3.95Å; F169-H171 PolarHBondContact O-N 2.9Å; F169-E172 HydrophobicContact CB-CG 4.19Å; F169-E172 PolarHBondContact N-OE2 2.92Å; F169-E172 WeakPolarHBondContact O-CB 3.47Å; F169-E172 PolarHBondContact O-N 3.22Å; F169-L193 HydrophobicContact CD1-CD2 3.82Å; F169-L193 HydrophobicContact CE1-CD2 3.27Å; F169-L193 HydrophobicContact CZ-CD2 4.03Å
170P98.2Very high96.6Very high1 Ų129.6 Ų29.61%0.00617%0.171CC..G310 helixtrans-50.4-49.7178.9-30.837.5000114.3L44 L46 G50 I52 E172 M173 S174 A175 V181 T194L44-P170 HydrophobicContact CD1-CB 3.83Å; L44-P170 HydrophobicContact CD1-CG 4.07Å; L46-P170 HydrophobicContact CD1-CG 3.91Å; L46-P170 HydrophobicContact CD2-CG 3.74Å; G50-P170 WeakPolarHBondContact O-CD 3.37Å; I52-P170 HydrophobicContact CG1-CG 4.34Å; P170-E172 PolarHBondContact O-N 2.79Å; P170-M173 WeakPolarHBondContact O-CG 3.39Å; P170-M173 PolarHBondContact O-N 3.05Å; P170-M173 VanDerWaalsContact O-N 3.12Å; P170-S174 PolarHBondContact O-N 2.85Å; P170-A175 HydrophobicContact CB-CB 3.7Å; P170-A175 WeakPolarHBondContact O-CB 3.27Å; P170-A175 PolarHBondContact O-N 3.08Å; P170-V181 HydrophobicContact CB-CG2 4.26Å; P170-T194 HydrophobicContact CB-CG2 4.23Å; P170-T194 HydrophobicContact CG-CG2 4.22Å
171H97.5Very high96.7Very high8 Ų829.3 Ų29.34%0.03717%0.167CC..G310 helixtrans-63.3-27.3-179.5-67.581.9000113.6F169 M173 S174 D176 F183 T194 V197 E198 V203 R206F169-H171 PolarHBondContact O-N 2.9Å; H171-M173 VanDerWaalsContact C-N 3.27Å; H171-M173 PolarHBondContact O-N 3.36Å; H171-S174 PolarHBondContact O-N 3.43Å; H171-D176 IonicContact CD2-OD1 2.72Å; H171-D176 IonicContact CD2-OD2 3.48Å; H171-F183 AromaticContact NE2-CZ 3.94Å; H171-T194 PolarHBondContact CE1-O 3.24Å; H171-T194 VanDerWaalsContact CE1-O 3.22Å; H171-V197 HydrophobicContact CB-CG1 4.15Å; H171-E198 IonicContact CD2-OE2 2.94Å; H171-E198 IonicContact CE1-OE2 3.81Å; H171-E198 IonicContact NE2-OE2 3.81Å; H171-E198 PolarHBondContact NE2-OE2 2.63Å; H171-V203 HydrophobicContact CB-CG1 3.85Å; H171-V203 HydrophobicContact CB-CG2 3.82Å; H171-R206 PolarHBondContact O-NH1 2.89Å
172E97.2Very high96.9Very high40 Ų4023.6 Ų23.619%0.18714%0.138CC..G310 helixtrans-66.5-30.6177-67.9-179.9139.300111.8S168 F169 P170 S174 R206 L207 L253S168-E172 WeakPolarHBondContact CA-OE2 3.46Å; F169-E172 HydrophobicContact CB-CG 4.19Å; F169-E172 PolarHBondContact N-OE2 2.92Å; F169-E172 WeakPolarHBondContact O-CB 3.47Å; F169-E172 PolarHBondContact O-N 3.22Å; P170-E172 PolarHBondContact O-N 2.79Å; E172-S174 VanDerWaalsContact C-N 3.32Å; E172-R206 CarbonylContact O-C 3.57Å; E172-R206 VanDerWaalsContact O-CA 3.25Å; E172-R206 WeakPolarHBondContact O-CA 3.48Å; E172-L207 PolarHBondContact O-N 3.21Å; E172-L253 HydrophobicContact CB-CD1 3.81Å; E172-L253 HydrophobicContact CG-CD1 4.09Å
173M97.1Very high96.9Very high3 Ų326 Ų262%0.01515%0.148CC..G310 helixtrans-96.111.3173.571.580.151.200113.1Y42 L44 I52 P157 L163 P170 H171 A175 L178 L207Y42-M173 HydrophobicContact CE1-CE 3.93Å; Y42-M173 WeakPolarHBondContact OH-CE 3.13Å; L44-M173 HydrophobicContact CD1-SD 4.26Å; L44-M173 HydrophobicContact CD2-SD 4.46Å; I52-M173 HydrophobicContact CD1-CG 3.72Å; P157-M173 HydrophobicContact CG-CB 4Å; P157-M173 HydrophobicContact CG-CE 3.68Å; L163-M173 HydrophobicContact CD1-CE 4.48Å; L163-M173 HydrophobicContact CD2-CB 4.21Å; L163-M173 HydrophobicContact CD2-CG 4.45Å; P170-M173 WeakPolarHBondContact O-CG 3.39Å; P170-M173 PolarHBondContact O-N 3.05Å; P170-M173 VanDerWaalsContact O-N 3.12Å; H171-M173 VanDerWaalsContact C-N 3.27Å; H171-M173 PolarHBondContact O-N 3.36Å; M173-A175 VanDerWaalsContact C-N 3.3Å; M173-A175 PolarHBondContact O-N 3.13Å; M173-A175 HydrophobicContact SD-CB 3.62Å; M173-L178 HydrophobicContact CE-CD1 3.82Å; M173-L178 HydrophobicContact SD-CD1 4.34Å; M173-L207 HydrophobicContact CB-CD1 3.8Å
174S97.4Very high96.9Very high2 Ų231.2 Ų31.21%0.01419%0.185CC..THydrogen-bonded Turntrans60.735.6-178.9-54.60000114.6P170 H171 E172 D176 L177 L178 R206P170-S174 PolarHBondContact O-N 2.85Å; H171-S174 PolarHBondContact O-N 3.43Å; E172-S174 VanDerWaalsContact C-N 3.32Å; S174-D176 VanDerWaalsContact C-OD1 3.27Å; S174-D176 WeakPolarHBondContact CA-OD1 3.32Å; S174-D176 PolarHBondContact O-N 3.31Å; S174-L177 PolarHBondContact O-N 3.47Å; S174-L178 WeakPolarHBondContact O-CG 3.19Å; S174-L178 PolarHBondContact O-N 2.74Å; S174-R206 VanDerWaalsContact CA-NH1 3.27Å; S174-R206 PolarHBondContact OG-NH1 2.75Å
175A97.9Very high96.9Very high0 Ų030.6 Ų30.60%018%0.179CC..THydrogen-bonded Turntrans-57.1-32.8177.500000113.5L44 P170 M173 L177 G179 A180 V181L44-A175 HydrophobicContact CD1-CB 3.66Å; P170-A175 HydrophobicContact CB-CB 3.7Å; P170-A175 WeakPolarHBondContact O-CB 3.27Å; P170-A175 PolarHBondContact O-N 3.08Å; M173-A175 VanDerWaalsContact C-N 3.3Å; M173-A175 PolarHBondContact O-N 3.13Å; M173-A175 HydrophobicContact SD-CB 3.62Å; A175-L177 VanDerWaalsContact C-N 3.33Å; A175-G179 PolarHBondContact O-N 3.03Å; A175-A180 HydrophobicContact CB-CB 4.02Å; A175-A180 WeakPolarHBondContact O-CB 3.3Å; A175-A180 PolarHBondContact O-N 2.86Å; A175-V181 HydrophobicContact CB-CG2 3.72Å; A175-V181 PolarHBondContact O-N 3.36Å
176D96.5Very high96.8Very high29 Ų2930.4 Ų30.416%0.15519%0.187CC..THydrogen-bonded Turntrans-61.8-39.817456.3-45.4000111.9H171 S174 F183 R206H171-D176 IonicContact CD2-OD1 2.72Å; H171-D176 IonicContact CD2-OD2 3.48Å; S174-D176 VanDerWaalsContact C-OD1 3.27Å; S174-D176 WeakPolarHBondContact CA-OD1 3.32Å; S174-D176 PolarHBondContact O-N 3.31Å; D176-F183 HydrophobicContact CB-CE2 4.02Å; D176-F183 HydrophobicContact CB-CZ 4.07Å; D176-R206 IonicContact OD1-CZ 2.72Å; D176-R206 IonicContact OD1-NH1 3.47Å; D176-R206 PolarHBondContact OD1-NH1 2.92Å; D176-R206 IonicContact OD1-NH2 3.28Å; D176-R206 IonicContact OD2-CZ 2.6Å; D176-R206 IonicContact OD2-NH1 2.91Å; D176-R206 PolarHBondContact OD2-NH1 2.8Å; D176-R206 IonicContact OD2-NH2 3.01Å; D176-R206 PolarHBondContact OD2-NH2 2.71Å
177L96.7Very high96.8Very high51 Ų5133.1 Ų33.127%0.26721%0.209SC..THydrogen-bonded Turntrans-85.8-27.8-178.1-56.8-179.5000112.7S174 A175 G179 W287 W288 P289 V292S174-L177 PolarHBondContact O-N 3.47Å; A175-L177 VanDerWaalsContact C-N 3.33Å; L177-G179 PolarHBondContact O-N 3.11Å; L177-W287 HydrophobicContact CB-CE3 4.3Å; L177-W287 HydrophobicContact CB-CH2 4.25Å; L177-W287 HydrophobicContact CB-CZ3 3.45Å; L177-W287 VanDerWaalsContact CB-CZ3 3.45Å; L177-W287 HydrophobicContact CD1-CZ3 4.3Å; L177-W288 HydrophobicContact CD1-CG 4.18Å; L177-P289 HydrophobicContact CD2-CG 3.96Å; L177-V292 HydrophobicContact CD1-CG2 3.93Å
178L96.9Very high96.9Very high10 Ų1030.8 Ų30.85%0.05219%0.193CC..THydrogen-bonded Turntrans-811.6177.3-68.5170.8000113.4Y42 R125 L126 L156 M173 S174 A180 W287Y42-L178 HydrophobicContact CE1-CD1 4.44Å; R125-L178 HydrophobicContact CB-CD2 4.29Å; L126-L178 HydrophobicContact CD2-CD2 4.31Å; L126-L178 HydrophobicContact CG-CD2 4.21Å; L156-L178 HydrophobicContact CD2-CD1 3.79Å; L156-L178 HydrophobicContact CD2-CD2 3.67Å; L156-L178 HydrophobicContact CD2-CG 4.31Å; M173-L178 HydrophobicContact CE-CD1 3.82Å; M173-L178 HydrophobicContact SD-CD1 4.34Å; S174-L178 WeakPolarHBondContact O-CG 3.19Å; S174-L178 PolarHBondContact O-N 2.74Å; L178-A180 PolarHBondContact O-N 3.39Å; L178-W287 HydrophobicContact CD1-CH2 4.28Å; L178-W287 HydrophobicContact CD2-CE3 4.22Å; L178-W287 HydrophobicContact CD2-CH2 3.55Å; L178-W287 HydrophobicContact CD2-CZ2 4.07Å; L178-W287 HydrophobicContact CD2-CZ3 3.62Å; L178-W287 HydrophobicContact CG-CH2 3.65Å; L178-W287 HydrophobicContact CG-CZ2 4.5Å; L178-W287 HydrophobicContact CG-CZ3 3.84Å
179G94.5Very high96.9Very high35 Ų3533.4 Ų33.436%0.36121%0.206SC..THydrogen-bonded Turntrans62.525.7-174.600000113.1N28 A175 L177 V181N28-G179 PolarHBondContact ND2-O 2.97Å; A175-G179 PolarHBondContact O-N 3.03Å; L177-G179 PolarHBondContact O-N 3.11Å; G179-V181 VanDerWaalsContact C-N 3.34Å
180A97.9Very high96.8Very high0 Ų031 Ų310%020%0.199CC..  trans-84.6-11.6179.100000112.8T27 N28 Y42 A175 L178T27-A180 WeakPolarHBondContact CB-O 3.3Å; T27-A180 PolarHBondContact OG1-O 3.4Å; N28-A180 PolarHBondContact N-O 3.36Å; Y42-A180 HydrophobicContact CD1-CB 3.53Å; Y42-A180 HydrophobicContact CE1-CB 3.95Å; Y42-A180 HydrophobicContact CG-CB 4.4Å; Y42-A180 WeakPolarHBondContact O-CA 3.48Å; A175-A180 HydrophobicContact CB-CB 4.02Å; A175-A180 WeakPolarHBondContact O-CB 3.3Å; A175-A180 PolarHBondContact O-N 2.86Å; L178-A180 PolarHBondContact O-N 3.39Å
181V98.2Very high96.8Very high10 Ų1032.8 Ų32.86%0.06121%0.207CC..SBendtrans-122.8132.5176-172.30000108.2T27 P170 A175 G179 F183 T194T27-V181 WeakPolarHBondContact O-CA 3.16Å; P170-V181 HydrophobicContact CB-CG2 4.26Å; A175-V181 HydrophobicContact CB-CG2 3.72Å; A175-V181 PolarHBondContact O-N 3.36Å; G179-V181 VanDerWaalsContact C-N 3.34Å; V181-F183 HydrophobicContact CB-CE1 4.44Å; V181-F183 HydrophobicContact CB-CE2 4.28Å; V181-F183 HydrophobicContact CB-CZ 4.05Å; V181-F183 HydrophobicContact CG1-CD1 4.09Å; V181-F183 HydrophobicContact CG1-CE1 3.68Å; V181-F183 HydrophobicContact CG1-CE2 4.28Å; V181-F183 HydrophobicContact CG1-CZ 3.79Å; V181-T194 HydrophobicContact CG1-CG2 4.08Å; V181-T194 HydrophobicContact CG2-CG2 4.45Å
182S97.8Very high96.7Very high12 Ų1239 Ų398%0.08424%0.236CC..  trans-99.2122.3166.8173.10000108.8T27 S184 K185T27-S182 PolarHBondContact O-N 3.44Å; S182-S184 PolarHBondContact OG-N 3.21Å; S182-S184 PolarHBondContact OG-OG 3.29Å; S182-K185 WeakPolarHBondContact O-CG 3.28Å; S182-K185 PolarHBondContact OG-N 3.12Å
183F96.3Very high96.6Very high74 Ų7440 Ų4033%0.32524%0.243SC..SBendtrans-90.3-5.5175.9-61.5-71.2000113H171 D176 V181 T194 E198H171-F183 AromaticContact NE2-CZ 3.94Å; D176-F183 HydrophobicContact CB-CE2 4.02Å; D176-F183 HydrophobicContact CB-CZ 4.07Å; V181-F183 HydrophobicContact CB-CE1 4.44Å; V181-F183 HydrophobicContact CB-CE2 4.28Å; V181-F183 HydrophobicContact CB-CZ 4.05Å; V181-F183 HydrophobicContact CG1-CD1 4.09Å; V181-F183 HydrophobicContact CG1-CE1 3.68Å; V181-F183 HydrophobicContact CG1-CE2 4.28Å; V181-F183 HydrophobicContact CG1-CZ 3.79Å; F183-T194 HydrophobicContact CE1-CG2 4.23Å; F183-E198 HydrophobicContact CD1-CB 3.95Å; F183-E198 HydrophobicContact CD1-CG 3.73Å; F183-E198 HydrophobicContact CD2-CG 4.06Å; F183-E198 HydrophobicContact CE1-CB 3.49Å; F183-E198 VanDerWaalsContact CE1-CB 3.49Å; F183-E198 HydrophobicContact CE1-CG 3.56Å; F183-E198 HydrophobicContact CE2-CG 3.9Å; F183-E198 HydrophobicContact CG-CG 3.97Å; F183-E198 HydrophobicContact CZ-CB 3.87Å; F183-E198 VanDerWaalsContact CZ-CD 3.48Å; F183-E198 HydrophobicContact CZ-CG 3.65Å; F183-E198 WeakPolarHBondContact CZ-OE2 3.44Å
184S95.7Very high96.6Very high113 Ų11340 Ų4079%0.7924%0.243SC*.SBendtrans-102.3-8.3177.256.70000113.8S182S182-S184 PolarHBondContact OG-N 3.21Å; S182-S184 PolarHBondContact OG-OG 3.29Å
185K96.4Very high96.5Very high16 Ų1641.8 Ų41.87%0.0726%0.255CS..SBendtrans-77.8165.2177.170.1172.2-67.6-178.90112.6Q23 L26 T27 N28 D29 S182 Y188Q23-K185 WeakPolarHBondContact O-CE 3.36Å; Q23-K185 PolarHBondContact O-NZ 2.92Å; L26-K185 PolarHBondContact O-NZ 3.27Å; T27-K185 WeakPolarHBondContact O-CD 3.25Å; N28-K185 WeakPolarHBondContact O-CD 3.16Å; N28-K185 PolarHBondContact O-NZ 3.37Å; D29-K185 HydrophobicContact CB-CB 4.18Å; S182-K185 WeakPolarHBondContact O-CG 3.28Å; S182-K185 PolarHBondContact OG-N 3.12Å; K185-Y188 HydrophobicContact CD-CD1 3.95Å; K185-Y188 HydrophobicContact CD-CE1 4.38Å; K185-Y188 HydrophobicContact CG-CD1 4.31Å
186G94.6Very high96.4Very high49 Ų4948.1 Ų48.151%0.50528%0.279SS..  trans-68.4-175.8171.700000114.1
187C96.6Very high96.4Very high108 Ų10848.8 Ų48.873%0.7328%0.284SS*.  trans-59139.3-172.2-57.30000113.9Q191C187-Q191 VanDerWaalsContact CA-OE1 3.31Å
188Y97.6Very high96.3Very high13 Ų1350 Ų505%0.05129%0.288CS..  trans-139.4161.4169.165.6-93.6000111.3G24 L26 T27 L46 K185 G190 Q191G24-Y188 VanDerWaalsContact O-CA 3.28Å; G24-Y188 WeakPolarHBondContact O-CA 3.25Å; L26-Y188 WeakPolarHBondContact O-CB 3.41Å; T27-Y188 HydrophobicContact CG2-CD2 4.25Å; T27-Y188 HydrophobicContact CG2-CE2 3.67Å; L46-Y188 HydrophobicContact CD1-CE2 4.05Å; K185-Y188 HydrophobicContact CD-CD1 3.95Å; K185-Y188 HydrophobicContact CD-CE1 4.38Å; K185-Y188 HydrophobicContact CG-CD1 4.31Å; Y188-G190 PolarHBondContact O-N 2.92Å; Y188-Q191 HydrophobicContact CD1-CB 3.97Å; Y188-Q191 HydrophobicContact CD1-CG 4.04Å; Y188-Q191 HydrophobicContact CD2-CB 3.98Å; Y188-Q191 HydrophobicContact CE1-CB 3.74Å; Y188-Q191 HydrophobicContact CE1-CG 3.52Å; Y188-Q191 HydrophobicContact CE2-CB 3.7Å; Y188-Q191 HydrophobicContact CE2-CG 4.31Å; Y188-Q191 HydrophobicContact CG-CB 4.09Å; Y188-Q191 VanDerWaalsContact O-CB 3.3Å; Y188-Q191 WeakPolarHBondContact O-CB 3.45Å; Y188-Q191 PolarHBondContact O-N 2.94Å
189L96.1Very high96.2Very high64 Ų6457.8 Ų57.834%0.33532%0.324SS..THydrogen-bonded Turntrans-59.1124.5-179.5-17267000112G24 L46 V48G24-L189 PolarHBondContact O-N 3.07Å; G24-L189 VanDerWaalsContact O-N 3.09Å; L46-L189 WeakPolarHBondContact O-CD2 3.22Å; V48-L189 HydrophobicContact CG1-CD1 3.8Å
190G96.3Very high96.2Very high13 Ų1361.2 Ų61.213%0.13433%0.333CS..THydrogen-bonded Turntrans8013.3178.200000115.2N47 Y188 T194N47-G190 WeakPolarHBondContact O-CA 3.41Å; Y188-G190 PolarHBondContact O-N 2.92Å; G190-T194 PolarHBondContact O-OG1 3.28Å
191Q97.6Very high95.8Very high38 Ų3864 Ų6418%0.17836%0.362CS..Hα-helixtrans-62.4-41.4-178.3-179.6179.131.600114C187 Y188 L193 T194 S195C187-Q191 VanDerWaalsContact CA-OE1 3.31Å; Y188-Q191 HydrophobicContact CD1-CB 3.97Å; Y188-Q191 HydrophobicContact CD1-CG 4.04Å; Y188-Q191 HydrophobicContact CD2-CB 3.98Å; Y188-Q191 HydrophobicContact CE1-CB 3.74Å; Y188-Q191 HydrophobicContact CE1-CG 3.52Å; Y188-Q191 HydrophobicContact CE2-CB 3.7Å; Y188-Q191 HydrophobicContact CE2-CG 4.31Å; Y188-Q191 HydrophobicContact CG-CB 4.09Å; Y188-Q191 VanDerWaalsContact O-CB 3.3Å; Y188-Q191 WeakPolarHBondContact O-CB 3.45Å; Y188-Q191 PolarHBondContact O-N 2.94Å; Q191-L193 VanDerWaalsContact C-N 3.35Å; Q191-L193 PolarHBondContact O-N 2.75Å; Q191-T194 WeakPolarHBondContact O-CA 3.29Å; Q191-T194 WeakPolarHBondContact O-CB 3.33Å; Q191-T194 PolarHBondContact O-N 2.97Å; Q191-S195 VanDerWaalsContact CG-OG 3.3Å; Q191-S195 WeakPolarHBondContact CG-OG 3Å; Q191-S195 PolarHBondContact O-N 3.39Å; Q191-S195 PolarHBondContact O-OG 3.33Å
192E96.2Very high95.3Very high139 Ų13967.9 Ų67.965%0.6539%0.385SS*.Hα-helixtrans-53.1-48.3-165.7-171.3-173.6156.700113.3R196E192-R196 VanDerWaalsContact O-CB 3.32Å; E192-R196 WeakPolarHBondContact O-CB 3.3Å; E192-R196 PolarHBondContact O-N 3.2Å; E192-R196 IonicContact OE1-CZ 2.93Å; E192-R196 IonicContact OE1-NH2 4Å; E192-R196 PolarHBondContact OE1-NH2 2.86Å
193L95Very high95.2Very high61 Ų6168.8 Ų68.832%0.31939%0.39SS..Hα-helixtrans-68-40.8179.9-174.864.3000111.7R49 F169 Q191 R196 V197R49-L193 WeakPolarHBondContact O-CD2 3.46Å; F169-L193 HydrophobicContact CD1-CD2 3.82Å; F169-L193 HydrophobicContact CE1-CD2 3.27Å; F169-L193 HydrophobicContact CZ-CD2 4.03Å; Q191-L193 VanDerWaalsContact C-N 3.35Å; Q191-L193 PolarHBondContact O-N 2.75Å; L193-R196 PolarHBondContact O-N 2.89Å; L193-V197 WeakPolarHBondContact O-CG2 2.98Å; L193-V197 PolarHBondContact O-N 2.81Å
194T96.7Very high95.2Very high3 Ų374.2 Ų74.22%0.01841%0.409CS..Hα-helixtrans-61.2-48.8178.6-51.10000110.3L46 P170 H171 V181 F183 G190 Q191 R196 V197 E198L46-T194 WeakPolarHBondContact CD1-OG1 3.35Å; P170-T194 HydrophobicContact CB-CG2 4.23Å; P170-T194 HydrophobicContact CG-CG2 4.22Å; H171-T194 PolarHBondContact CE1-O 3.24Å; H171-T194 VanDerWaalsContact CE1-O 3.22Å; V181-T194 HydrophobicContact CG1-CG2 4.08Å; V181-T194 HydrophobicContact CG2-CG2 4.45Å; F183-T194 HydrophobicContact CE1-CG2 4.23Å; G190-T194 PolarHBondContact O-OG1 3.28Å; Q191-T194 WeakPolarHBondContact O-CA 3.29Å; Q191-T194 WeakPolarHBondContact O-CB 3.33Å; Q191-T194 PolarHBondContact O-N 2.97Å; T194-R196 VanDerWaalsContact C-N 3.32Å; T194-R196 PolarHBondContact O-N 2.87Å; T194-V197 PolarHBondContact O-N 2.88Å; T194-E198 PolarHBondContact O-N 2.79Å; T194-E198 VanDerWaalsContact O-N 3.11Å
195S96.1Very high95.3Very high39 Ų3973.4 Ų73.427%0.27339%0.391SS..Hα-helixtrans-64.5-34.9176.6-64.40000112.8Q191 E198 H199Q191-S195 VanDerWaalsContact CG-OG 3.3Å; Q191-S195 WeakPolarHBondContact CG-OG 3Å; Q191-S195 PolarHBondContact O-N 3.39Å; Q191-S195 PolarHBondContact O-OG 3.33Å; S195-E198 PolarHBondContact O-N 3.35Å; S195-H199 WeakPolarHBondContact O-CB 3.27Å; S195-H199 PolarHBondContact O-N 2.76Å
196R95.6Very high95.4Very high134 Ų13473.2 Ų73.251%0.50639%0.39SS..Hα-helixtrans-65.2-44.1176.5-172.1-176.1-61.9-173.61.8111.8E192 L193 T194 E198 H199 I200E192-R196 VanDerWaalsContact O-CB 3.32Å; E192-R196 WeakPolarHBondContact O-CB 3.3Å; E192-R196 PolarHBondContact O-N 3.2Å; E192-R196 IonicContact OE1-CZ 2.93Å; E192-R196 IonicContact OE1-NH2 4Å; E192-R196 PolarHBondContact OE1-NH2 2.86Å; L193-R196 PolarHBondContact O-N 2.89Å; T194-R196 VanDerWaalsContact C-N 3.32Å; T194-R196 PolarHBondContact O-N 2.87Å; R196-E198 VanDerWaalsContact C-N 3.32Å; R196-H199 PolarHBondContact O-N 2.93Å; R196-I200 HydrophobicContact CG-CD1 3.94Å; R196-I200 VanDerWaalsContact O-CG1 3.26Å; R196-I200 WeakPolarHBondContact O-CG1 3.44Å; R196-I200 PolarHBondContact O-N 2.66Å
197V95Very high95.5Very high43 Ų4371.3 Ų71.326%0.26137%0.368SS..Hα-helixtrans-62.4-43176.9173.90000110.5H171 L193 T194 H199 I200 G201 V203H171-V197 HydrophobicContact CB-CG1 4.15Å; L193-V197 WeakPolarHBondContact O-CG2 2.98Å; L193-V197 PolarHBondContact O-N 2.81Å; T194-V197 PolarHBondContact O-N 2.88Å; V197-H199 PolarHBondContact O-N 2.92Å; V197-I200 PolarHBondContact O-N 3.16Å; V197-G201 PolarHBondContact O-N 3.32Å; V197-V203 HydrophobicContact CG1-CG2 3.84Å
198E94.8Very high95.6Very high75 Ų7566.2 Ų66.235%0.3533%0.333SS..Hα-helixtrans-59.4-47.2175.6-17263.1-16200112.1H171 F183 T194 S195 R196 I200 G201H171-E198 IonicContact CD2-OE2 2.94Å; H171-E198 IonicContact CE1-OE2 3.81Å; H171-E198 IonicContact NE2-OE2 3.81Å; H171-E198 PolarHBondContact NE2-OE2 2.63Å; F183-E198 HydrophobicContact CD1-CB 3.95Å; F183-E198 HydrophobicContact CD1-CG 3.73Å; F183-E198 HydrophobicContact CD2-CG 4.06Å; F183-E198 HydrophobicContact CE1-CB 3.49Å; F183-E198 VanDerWaalsContact CE1-CB 3.49Å; F183-E198 HydrophobicContact CE1-CG 3.56Å; F183-E198 HydrophobicContact CE2-CG 3.9Å; F183-E198 HydrophobicContact CG-CG 3.97Å; F183-E198 HydrophobicContact CZ-CB 3.87Å; F183-E198 VanDerWaalsContact CZ-CD 3.48Å; F183-E198 HydrophobicContact CZ-CG 3.65Å; F183-E198 WeakPolarHBondContact CZ-OE2 3.44Å; T194-E198 PolarHBondContact O-N 2.79Å; T194-E198 VanDerWaalsContact O-N 3.11Å; S195-E198 PolarHBondContact O-N 3.35Å; R196-E198 VanDerWaalsContact C-N 3.32Å; E198-I200 PolarHBondContact O-N 3.26Å; E198-G201 WeakPolarHBondContact O-CA 3.48Å; E198-G201 PolarHBondContact O-N 2.92Å; E198-G201 VanDerWaalsContact O-N 3.11Å
199H94.6Very high95.6Very high175 Ų17565.6 Ų65.681%0.8133%0.331SS*.Hα-helixtrans-65.5-38.6-179.6-17472.4000113.1S195 R196 V197 G201S195-H199 WeakPolarHBondContact O-CB 3.27Å; S195-H199 PolarHBondContact O-N 2.76Å; R196-H199 PolarHBondContact O-N 2.93Å; V197-H199 PolarHBondContact O-N 2.92Å; H199-G201 PolarHBondContact O-N 3.13Å
200I94.6Very high95.7Very high107 Ų10762.5 Ų62.555%0.54932%0.315SS..Hα-helixtrans-66.1-32.2174.6-68.5168.1000110.5R196 V197 E198 V202R196-I200 HydrophobicContact CG-CD1 3.94Å; R196-I200 VanDerWaalsContact O-CG1 3.26Å; R196-I200 WeakPolarHBondContact O-CG1 3.44Å; R196-I200 PolarHBondContact O-N 2.66Å; V197-I200 PolarHBondContact O-N 3.16Å; E198-I200 PolarHBondContact O-N 3.26Å; I200-V202 HydrophobicContact CG2-CB 4.18Å; I200-V202 HydrophobicContact CG2-CG2 4.32Å; I200-V202 PolarHBondContact O-N 2.69Å
201G89.7Confident95.8Very high59 Ų5963.4 Ų63.461%0.60832%0.319SS*.  trans754.5175.500000115V197 E198 H199V197-G201 PolarHBondContact O-N 3.32Å; E198-G201 WeakPolarHBondContact O-CA 3.48Å; E198-G201 PolarHBondContact O-N 2.92Å; E198-G201 VanDerWaalsContact O-N 3.11Å; H199-G201 PolarHBondContact O-N 3.13Å
202V89Confident95.7Very high90 Ų9061.8 Ų61.855%0.54531%0.311SS..  trans-112.7102.5-177.6-177.10000110.6I200 R204I200-V202 HydrophobicContact CG2-CB 4.18Å; I200-V202 HydrophobicContact CG2-CG2 4.32Å; I200-V202 PolarHBondContact O-N 2.69Å; V202-R204 HydrophobicContact CG1-CG 4.05Å
203V95.3Very high95.6Very high32 Ų3259.1 Ų59.119%0.19430%0.301CS..  trans-107.1101.5172.8-176.30000109.1H171 V197 K205 R206H171-V203 HydrophobicContact CB-CG1 3.85Å; H171-V203 HydrophobicContact CB-CG2 3.82Å; V197-V203 HydrophobicContact CG1-CG2 3.84Å; V203-K205 WeakPolarHBondContact CG1-O 3.4Å; V203-R206 HydrophobicContact CG1-CG 3.84Å
204R96.1Very high95.6Very high187 Ų18760.9 Ų60.971%0.70632%0.317SS*.  trans-75.9-30.9-174.7-64.6-175.3-178.7-174.8-0.4113.9V202 N255 V256V202-R204 HydrophobicContact CG1-CG 4.05Å; R204-N255 CarbonylContact O-C 3.48Å; R204-N255 VanDerWaalsContact O-CA 3.3Å; R204-N255 WeakPolarHBondContact O-CA 3.49Å; R204-V256 PolarHBondContact O-N 2.83Å
205K97.5Very high95.4Very high97 Ų9766 Ų6642%0.42235%0.348SS..EExtended strand (participates in β ladder)trans-122.7132.5-175.8-66.1-174.6178.7-179.60111.1V203 L253 L254V203-K205 WeakPolarHBondContact CG1-O 3.4Å; K205-L253 HydrophobicContact CB-CD1 3.88Å; K205-L253 HydrophobicContact CB-CG 4.29Å; K205-L254 WeakPolarHBondContact CA-O 3.39Å
206R98.1Very high95.3Very high11 Ų1166 Ų664%0.04235%0.345CS..EExtended strand (participates in β ladder)trans-139.9157174.7-67.4-178.1178.7-92.82.4110.6H171 E172 S174 D176 V203 M208 L254 V256 W288H171-R206 PolarHBondContact O-NH1 2.89Å; E172-R206 CarbonylContact O-C 3.57Å; E172-R206 VanDerWaalsContact O-CA 3.25Å; E172-R206 WeakPolarHBondContact O-CA 3.48Å; S174-R206 VanDerWaalsContact CA-NH1 3.27Å; S174-R206 PolarHBondContact OG-NH1 2.75Å; D176-R206 IonicContact OD1-CZ 2.72Å; D176-R206 IonicContact OD1-NH1 3.47Å; D176-R206 PolarHBondContact OD1-NH1 2.92Å; D176-R206 IonicContact OD1-NH2 3.28Å; D176-R206 IonicContact OD2-CZ 2.6Å; D176-R206 IonicContact OD2-NH1 2.91Å; D176-R206 PolarHBondContact OD2-NH1 2.8Å; D176-R206 IonicContact OD2-NH2 3.01Å; D176-R206 PolarHBondContact OD2-NH2 2.71Å; V203-R206 HydrophobicContact CG1-CG 3.84Å; R206-M208 PolarHBondContact O-N 2.97Å; R206-L254 PolarHBondContact N-O 2.82Å; R206-L254 PolarHBondContact O-N 3.07Å; R206-V256 HydrophobicContact CB-CG2 3.81Å; R206-V256 HydrophobicContact CG-CG2 3.89Å; R206-W288 HydrophobicContact CB-CH2 3.63Å; R206-W288 HydrophobicContact CB-CZ2 3.76Å; R206-W288 HydrophobicContact CG-CH2 4.32Å; R206-W288 HydrophobicContact CG-CZ2 4.38Å
207L98.2Very high95.2Very high10 Ų1062 Ų625%0.05233%0.333CS..EExtended strand (participates in β ladder)trans-63.3128.7165.3-68.2179.3000109.1A155 P157 E172 M173 K243 A252 L253 W288A155-L207 HydrophobicContact CB-CB 4.28Å; P157-L207 HydrophobicContact CB-CD1 3.95Å; P157-L207 HydrophobicContact CG-CD1 3.46Å; P157-L207 VanDerWaalsContact CG-CD1 3.46Å; E172-L207 PolarHBondContact O-N 3.21Å; M173-L207 HydrophobicContact CB-CD1 3.8Å; L207-K243 HydrophobicContact CD2-CG 3.77Å; L207-A252 CarbonylContact C-O 3.56Å; L207-A252 VanDerWaalsContact CA-O 3.28Å; L207-A252 WeakPolarHBondContact CA-O 3.31Å; L207-L253 HydrophobicContact CD2-CB 4.05Å; L207-W288 WeakPolarHBondContact O-CZ2 3.37Å
208M98.2Very high95Very high0 Ų064.3 Ų64.30%035%0.349CS..EExtended strand (participates in β ladder)trans-132.6142.9-178.8-67.9-171.876.300110.4R206 A252 L254 A259 L260 V282 W288R206-M208 PolarHBondContact O-N 2.97Å; M208-A252 PolarHBondContact N-O 2.98Å; M208-A252 PolarHBondContact O-N 3.07Å; M208-L254 HydrophobicContact CB-CD1 3.92Å; M208-L254 HydrophobicContact CB-CG 4.36Å; M208-L254 HydrophobicContact SD-CB 4.14Å; M208-L254 HydrophobicContact SD-CD1 4.26Å; M208-A259 HydrophobicContact CE-CB 4.38Å; M208-A259 HydrophobicContact SD-CB 3.79Å; M208-L260 HydrophobicContact CE-CD2 3.61Å; M208-L260 HydrophobicContact CE-CG 3.99Å; M208-V282 HydrophobicContact CE-CG1 3.63Å; M208-V282 HydrophobicContact SD-CG1 4.36Å; M208-W288 HydrophobicContact CE-CH2 4.41Å; M208-W288 HydrophobicContact CE-CZ3 4.15Å; M208-W288 HydrophobicContact CG-CH2 3.64Å; M208-W288 HydrophobicContact CG-CZ2 4.46Å; M208-W288 HydrophobicContact CG-CZ3 4.31Å; M208-W288 HydrophobicContact SD-CH2 4.25Å; M208-W288 HydrophobicContact SD-CZ3 4.43Å
209P98Very high94.9Very high0 Ų062.3 Ų62.30%034%0.341CS..EExtended strand (participates in β ladder)trans-72.8139.5177.8-4.112.8000110.1Y152 S153 A155 A250 M283 P285Y152-P209 WeakPolarHBondContact O-CB 3.44Å; S153-P209 VanDerWaalsContact O-CB 3.31Å; S153-P209 WeakPolarHBondContact O-CB 3.45Å; S153-P209 WeakPolarHBondContact O-CG 3.19Å; A155-P209 HydrophobicContact CB-CB 4.24Å; A155-P209 VanDerWaalsContact CB-CD 3.47Å; A155-P209 HydrophobicContact CB-CG 3.81Å; A155-P209 VanDerWaalsContact CB-N 3.34Å; P209-A250 CarbonylContact C-O 3.58Å; P209-A250 WeakPolarHBondContact CA-O 3.31Å; P209-M283 HydrophobicContact CB-CB 4.02Å; P209-M283 WeakPolarHBondContact CD-O 3.43Å; P209-M283 HydrophobicContact CG-CB 4.16Å; P209-M283 PolarHBondContact O-N 3.22Å; P209-P285 HydrophobicContact CG-CG 3.93Å
210L97.9Very high94.8Very high0 Ų054.4 Ų54.40%030%0.304CS..EExtended strand (participates in β ladder)trans-112.5141.7167.7-57.9178.6000108.4F212 I229 Y249 A250 A252 L254 V265 L267 K281 V282L210-F212 HydrophobicContact CB-CE2 4.24Å; L210-I229 HydrophobicContact CD1-CD1 4.12Å; L210-Y249 CarbonylContact O-C 3.46Å; L210-Y249 WeakPolarHBondContact O-CA 3.29Å; L210-A250 HydrophobicContact CB-CB 4.18Å; L210-A250 PolarHBondContact N-O 2.93Å; L210-A250 PolarHBondContact O-N 2.87Å; L210-A252 HydrophobicContact CD1-CB 3.63Å; L210-A252 HydrophobicContact CG-CB 4.04Å; L210-L254 HydrophobicContact CD2-CD1 4.07Å; L210-V265 HydrophobicContact CD2-CG2 3.84Å; L210-L267 HydrophobicContact CD1-CD1 4.14Å; L210-L267 HydrophobicContact CD1-CD2 4.18Å; L210-K281 CarbonylContact C-O 3.56Å; L210-K281 VanDerWaalsContact CA-O 3.29Å; L210-K281 WeakPolarHBondContact CA-O 3.5Å; L210-V282 HydrophobicContact CD2-CB 4.49Å; L210-V282 HydrophobicContact CD2-CG2 3.89Å
211C97.2Very high94.6Very high31 Ų3159.6 Ų59.621%0.20932%0.317CS..EExtended strand (participates in β ladder)trans-119.7124.9173.4-177.60000109.1Y249 C280 K281 M283C211-Y249 HydrophobicContact CB-CD1 4.18Å; C211-Y249 HydrophobicContact CB-CE1 4.13Å; C211-C280 WeakPolarHBondContact O-CB 3.41Å; C211-K281 HydrophobicContact CB-CB 4.48Å; C211-K281 PolarHBondContact N-O 3.05Å; C211-K281 PolarHBondContact O-N 2.74Å; C211-M283 HydrophobicContact CB-CG 4.26Å; C211-M283 HydrophobicContact CB-SD 3.66Å
212F96.2Very high94.7Very high4 Ų459.6 Ų59.62%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-91.2145.9179.2-75.2-103.5000110.2L210 D216 L217 M220 Q248 A250 L267 I278 C280L210-F212 HydrophobicContact CB-CE2 4.24Å; F212-D216 HydrophobicContact CD1-CB 4.48Å; F212-L217 HydrophobicContact CB-CD2 3.8Å; F212-M220 HydrophobicContact CB-SD 4.36Å; F212-M220 HydrophobicContact CD1-CB 3.97Å; F212-M220 HydrophobicContact CD1-CG 3.99Å; F212-M220 HydrophobicContact CD1-SD 4.35Å; F212-M220 HydrophobicContact CD2-CG 3.97Å; F212-M220 HydrophobicContact CD2-SD 3.5Å; F212-M220 VanDerWaalsContact CD2-SD 3.5Å; F212-M220 HydrophobicContact CE1-CB 4.03Å; F212-M220 HydrophobicContact CE1-CG 3.83Å; F212-M220 HydrophobicContact CE2-CG 3.83Å; F212-M220 HydrophobicContact CE2-SD 3.83Å; F212-M220 HydrophobicContact CG-CB 4.33Å; F212-M220 HydrophobicContact CG-CG 4.06Å; F212-M220 HydrophobicContact CG-SD 3.81Å; F212-M220 HydrophobicContact CZ-CB 4.45Å; F212-M220 HydrophobicContact CZ-CG 3.76Å; F212-M220 HydrophobicContact CZ-SD 4.37Å; F212-Q248 PolarHBondContact N-O 3.44Å; F212-A250 HydrophobicContact CD2-CB 4.38Å; F212-A250 HydrophobicContact CE2-CB 3.67Å; F212-L267 HydrophobicContact CZ-CD1 4.15Å; F212-L267 HydrophobicContact CZ-CD2 4.47Å; F212-I278 HydrophobicContact CD1-CG2 3.73Å; F212-I278 HydrophobicContact CE1-CB 4.31Å; F212-I278 HydrophobicContact CE1-CD1 4.17Å; F212-I278 HydrophobicContact CE1-CG2 3.65Å; F212-C280 HydrophobicContact CD1-CB 4.21Å; F212-C280 HydrophobicContact CD2-CB 4.26Å; F212-C280 HydrophobicContact CE1-CB 4.16Å; F212-C280 HydrophobicContact CE2-CB 4.19Å; F212-C280 HydrophobicContact CG-CB 4.26Å; F212-C280 HydrophobicContact CZ-CB 4.15Å
213D94.5Very high95Very high84 Ų8455.9 Ų55.945%0.44928%0.28SS..  trans-64.9140.8167.6-167.2-77.1000109.4T215 D216 L217D213-T215 PolarHBondContact O-N 3.27Å; D213-T215 PolarHBondContact OD1-N 3.15Å; D213-T215 PolarHBondContact OD1-OG1 3.13Å; D213-D216 PolarHBondContact O-N 2.91Å; D213-L217 PolarHBondContact O-N 3.46Å
214P93.8Very high95Very high98 Ų9860.2 Ų60.264%0.63630%0.298SS*.G310 helixtrans-47.5-33.5173.9-31.437.1000114.5D216 L217P214-D216 VanDerWaalsContact C-N 3.27Å; P214-D216 PolarHBondContact O-N 3.4Å; P214-L217 WeakPolarHBondContact O-CG 3.4Å
215T94Very high94.9Very high110 Ų11055.3 Ų55.368%0.67528%0.282SS*.G310 helixtrans-71-21.2179.263.60000113.7D213D213-T215 PolarHBondContact O-N 3.27Å; D213-T215 PolarHBondContact OD1-N 3.15Å; D213-T215 PolarHBondContact OD1-OG1 3.13Å
216D93.2Very high94.8Very high39 Ų3953.7 Ų53.721%0.20928%0.278CS..G310 helixtrans-99.4-5-176.2-71.8-33.1000113.7F212 D213 P214 P218 L219 M220 I278F212-D216 HydrophobicContact CD1-CB 4.48Å; D213-D216 PolarHBondContact O-N 2.91Å; P214-D216 VanDerWaalsContact C-N 3.27Å; P214-D216 PolarHBondContact O-N 3.4Å; D216-P218 VanDerWaalsContact C-CD 3.42Å; D216-P218 VanDerWaalsContact C-N 3.34Å; D216-L219 WeakPolarHBondContact O-CA 3.34Å; D216-L219 WeakPolarHBondContact O-CB 3.46Å; D216-L219 PolarHBondContact O-N 3.2Å; D216-M220 PolarHBondContact O-N 2.89Å; D216-I278 HydrophobicContact CB-CG2 3.73Å
217L92.8Very high94.7Very high50 Ų5054 Ų5426%0.26228%0.282SS..Hα-helixtrans-54.3-38.7-179.9-59.9-177.9000114.4F212 D213 P214 L219 M220 Q248F212-L217 HydrophobicContact CB-CD2 3.8Å; D213-L217 PolarHBondContact O-N 3.46Å; P214-L217 WeakPolarHBondContact O-CG 3.4Å; L217-L219 VanDerWaalsContact C-N 3.26Å; L217-L219 PolarHBondContact O-N 2.98Å; L217-M220 HydrophobicContact CD2-SD 4.49Å; L217-M220 WeakPolarHBondContact O-CB 3.12Å; L217-M220 PolarHBondContact O-N 2.87Å; L217-Q248 HydrophobicContact CD2-CB 3.84Å
218P92.2Very high94.6Very high91 Ų9155.5 Ų55.559%0.59129%0.29SS*.Hα-helixtrans-61.1-36.3174.8-24.535.9000112.8D216D216-P218 VanDerWaalsContact C-CD 3.42Å; D216-P218 VanDerWaalsContact C-N 3.34Å
219L91.9Very high94.5Very high34 Ų3455.5 Ų55.518%0.17829%0.29CS..Hα-helixtrans-76.9-29.1179.8-59.4176.4000112D216 L217 R221 L222 A269 I278D216-L219 WeakPolarHBondContact O-CA 3.34Å; D216-L219 WeakPolarHBondContact O-CB 3.46Å; D216-L219 PolarHBondContact O-N 3.2Å; L217-L219 VanDerWaalsContact C-N 3.26Å; L217-L219 PolarHBondContact O-N 2.98Å; L219-R221 PolarHBondContact O-N 2.91Å; L219-L222 HydrophobicContact CD2-CD1 4.33Å; L219-L222 WeakPolarHBondContact O-CB 3.38Å; L219-L222 PolarHBondContact O-N 2.82Å; L219-A269 HydrophobicContact CB-CB 4.44Å; L219-I278 HydrophobicContact CB-CD1 3.49Å; L219-I278 VanDerWaalsContact CB-CD1 3.49Å; L219-I278 HydrophobicContact CB-CG1 3.9Å; L219-I278 HydrophobicContact CD1-CG1 4.24Å
220M92.7Very high94.5Very high9 Ų957.7 Ų57.74%0.04430%0.299CS..Hα-helixtrans-54.8-37.9177.8-173.1-173.771.900112.1F212 D216 L217 L222 V223 A245 S247F212-M220 HydrophobicContact CB-SD 4.36Å; F212-M220 HydrophobicContact CD1-CB 3.97Å; F212-M220 HydrophobicContact CD1-CG 3.99Å; F212-M220 HydrophobicContact CD1-SD 4.35Å; F212-M220 HydrophobicContact CD2-CG 3.97Å; F212-M220 HydrophobicContact CD2-SD 3.5Å; F212-M220 VanDerWaalsContact CD2-SD 3.5Å; F212-M220 HydrophobicContact CE1-CB 4.03Å; F212-M220 HydrophobicContact CE1-CG 3.83Å; F212-M220 HydrophobicContact CE2-CG 3.83Å; F212-M220 HydrophobicContact CE2-SD 3.83Å; F212-M220 HydrophobicContact CG-CB 4.33Å; F212-M220 HydrophobicContact CG-CG 4.06Å; F212-M220 HydrophobicContact CG-SD 3.81Å; F212-M220 HydrophobicContact CZ-CB 4.45Å; F212-M220 HydrophobicContact CZ-CG 3.76Å; F212-M220 HydrophobicContact CZ-SD 4.37Å; D216-M220 PolarHBondContact O-N 2.89Å; L217-M220 HydrophobicContact CD2-SD 4.49Å; L217-M220 WeakPolarHBondContact O-CB 3.12Å; L217-M220 PolarHBondContact O-N 2.87Å; M220-L222 PolarHBondContact O-N 2.91Å; M220-V223 WeakPolarHBondContact O-CB 3.35Å; M220-V223 WeakPolarHBondContact O-CG2 3.37Å; M220-V223 PolarHBondContact O-N 2.8Å; M220-V223 VanDerWaalsContact O-N 3.09Å; M220-A245 HydrophobicContact CE-CB 3.8Å; M220-A245 HydrophobicContact CG-CB 3.85Å; M220-A245 HydrophobicContact SD-CB 3.72Å; M220-S247 WeakPolarHBondContact CE-O 3.27Å
221R89.4Confident94.4Very high216 Ų21658 Ų5882%0.81530%0.3SS*.THydrogen-bonded Turntrans-66-16.1179.4-62.9-179.1179.9178.1-0.7113.7L219L219-R221 PolarHBondContact O-N 2.91Å
222L93.2Very high94.1Very high59 Ų5957.1 Ų57.131%0.30930%0.295SS..THydrogen-bonded Turntrans-92.7-2.9177.9-54.9178.3000112.7L219 M220 Q224 A269 K270 D271L219-L222 HydrophobicContact CD2-CD1 4.33Å; L219-L222 WeakPolarHBondContact O-CB 3.38Å; L219-L222 PolarHBondContact O-N 2.82Å; M220-L222 PolarHBondContact O-N 2.91Å; L222-Q224 PolarHBondContact O-N 3.02Å; L222-A269 HydrophobicContact CB-CB 4Å; L222-K270 PolarHBondContact O-N 3.09Å; L222-D271 HydrophobicContact CD1-CB 4.14Å
223V94.8Very high93.8Very high12 Ų1260.7 Ų60.77%0.07333%0.325CS..PPolyproline II helixtrans-78.9121.2176.9-1750000109.1M220 S227 F242 L267 A269 I278M220-V223 WeakPolarHBondContact O-CB 3.35Å; M220-V223 WeakPolarHBondContact O-CG2 3.37Å; M220-V223 PolarHBondContact O-N 2.8Å; M220-V223 VanDerWaalsContact O-N 3.09Å; V223-S227 WeakPolarHBondContact CG1-OG 3.45Å; V223-F242 HydrophobicContact CB-CD1 4.49Å; V223-F242 HydrophobicContact CB-CE1 4.29Å; V223-F242 HydrophobicContact CB-CE2 4.32Å; V223-F242 HydrophobicContact CB-CZ 4.19Å; V223-F242 HydrophobicContact CG1-CB 4.05Å; V223-F242 HydrophobicContact CG1-CD1 3.72Å; V223-F242 HydrophobicContact CG1-CD2 3.72Å; V223-F242 HydrophobicContact CG1-CE1 3.99Å; V223-F242 HydrophobicContact CG1-CE2 3.98Å; V223-F242 HydrophobicContact CG1-CG 3.55Å; V223-F242 HydrophobicContact CG1-CZ 4.1Å; V223-F242 WeakPolarHBondContact O-CE1 3.18Å; V223-L267 HydrophobicContact CG1-CB 4.45Å; V223-L267 HydrophobicContact CG1-CD2 3.89Å; V223-L267 HydrophobicContact CG2-CB 4.47Å; V223-A269 HydrophobicContact CG2-CB 4.1Å; V223-I278 HydrophobicContact CG2-CD1 3.82Å
224Q94.1Very high93.6Very high122 Ų12260.2 Ų60.257%0.5733%0.325SS*.PPolyproline II helixtrans-84.6146.5-177.2-66.6-178-25.400112L222 N226 S227 F242L222-Q224 PolarHBondContact O-N 3.02Å; Q224-N226 PolarHBondContact O-N 2.95Å; Q224-S227 VanDerWaalsContact O-CB 3.22Å; Q224-S227 WeakPolarHBondContact O-CB 3.45Å; Q224-S227 PolarHBondContact O-N 2.87Å; Q224-S227 PolarHBondContact O-OG 3.07Å; Q224-F242 VanDerWaalsContact O-CD1 3.29Å; Q224-F242 WeakPolarHBondContact O-CD1 3.16Å
225F95Very high93.3Very high84 Ų8462.6 Ų62.637%0.36832%0.321SS..THydrogen-bonded Turntrans-47.2136.1169.8-176.5-96.4000111.2N161 P164 S227 K243N161-F225 WeakPolarHBondContact O-CE2 3.15Å; P164-F225 HydrophobicContact CG-CE1 4.14Å; P164-F225 HydrophobicContact CG-CE2 4.4Å; P164-F225 HydrophobicContact CG-CZ 3.62Å; F225-S227 PolarHBondContact O-N 3.01Å; F225-S227 VanDerWaalsContact O-N 3.13Å; F225-K243 WeakPolarHBondContact CD2-O 3.43Å; F225-K243 HydrophobicContact CE2-CD 3.95Å; F225-K243 HydrophobicContact CZ-CD 4.16Å
226N95.5Very high92.9Very high64 Ų6465.3 Ų65.334%0.34233%0.326SS..THydrogen-bonded Turntrans59.714-178.3-81.2-16.7000116Q224 R241 F242 K243Q224-N226 PolarHBondContact O-N 2.95Å; N226-R241 VanDerWaalsContact O-CD 3.3Å; N226-R241 WeakPolarHBondContact O-CD 3.48Å; N226-R241 PolarHBondContact O-NH1 2.86Å; N226-F242 VanDerWaalsContact CA-O 3.31Å; N226-F242 WeakPolarHBondContact CA-O 3.46Å; N226-F242 PolarHBondContact N-O 3.01Å; N226-K243 PolarHBondContact OD1-NZ 3.01Å
227S95.3Very high93Very high18 Ų1867.4 Ų67.413%0.12634%0.338CS..  trans-60.215016856.90000111.4V223 Q224 F225 R241 F242V223-S227 WeakPolarHBondContact CG1-OG 3.45Å; Q224-S227 VanDerWaalsContact O-CB 3.22Å; Q224-S227 WeakPolarHBondContact O-CB 3.45Å; Q224-S227 PolarHBondContact O-N 2.87Å; Q224-S227 PolarHBondContact O-OG 3.07Å; F225-S227 PolarHBondContact O-N 3.01Å; F225-S227 VanDerWaalsContact O-N 3.13Å; S227-R241 WeakPolarHBondContact O-CA 3.02Å; S227-F242 PolarHBondContact O-N 2.98Å; S227-F242 WeakPolarHBondContact OG-CB 3.23Å
228N96.3Very high93.2Very high40 Ų4067.8 Ų67.821%0.21434%0.342CS..EExtended strand (participates in β ladder)trans-65142.1178.4-78.1-23.6000110.7Y230 V238 R241N228-Y230 HydrophobicContact CB-CD2 4.24Å; N228-Y230 HydrophobicContact CB-CE1 4.29Å; N228-Y230 HydrophobicContact CB-CE2 3.45Å; N228-Y230 VanDerWaalsContact CB-CE2 3.45Å; N228-Y230 VanDerWaalsContact CB-CZ 3.49Å; N228-Y230 WeakPolarHBondContact CB-OH 3.48Å; N228-Y230 PolarHBondContact ND2-OH 2.86Å; N228-V238 HydrophobicContact CB-CG1 4.04Å; N228-V238 HydrophobicContact CB-CG2 3.98Å; N228-R241 PolarHBondContact OD1-NE 3.39Å; N228-R241 PolarHBondContact OD1-NH1 2.92Å; N228-R241 PolarHBondContact OD1-NH2 2.79Å
229I97.1Very high93.4Very high0 Ų063.7 Ų63.70%032%0.315CS..EExtended strand (participates in β ladder)trans-113.7128.2168.4-59.1-176.7000107.9L210 V238 I239 G240 F242 A252 L254 V265 L266 L267L210-I229 HydrophobicContact CD1-CD1 4.12Å; I229-V238 CarbonylContact O-C 3.45Å; I229-V238 WeakPolarHBondContact O-CA 3.21Å; I229-I239 HydrophobicContact CG2-CG1 4.34Å; I229-I239 PolarHBondContact O-N 2.78Å; I229-G240 PolarHBondContact N-O 3.45Å; I229-G240 PolarHBondContact O-N 3.4Å; I229-F242 HydrophobicContact CD1-CB 4.21Å; I229-F242 HydrophobicContact CG1-CB 4.42Å; I229-A252 HydrophobicContact CD1-CB 3.29Å; I229-L254 HydrophobicContact CB-CD2 4.19Å; I229-L254 HydrophobicContact CD1-CD2 3.76Å; I229-L254 HydrophobicContact CG2-CD2 3.96Å; I229-V265 HydrophobicContact CG2-CB 3.57Å; I229-V265 HydrophobicContact CG2-CG1 4.13Å; I229-V265 HydrophobicContact CG2-CG2 3.63Å; I229-L266 WeakPolarHBondContact CA-O 3.45Å; I229-L267 HydrophobicContact CD1-CD2 3.86Å; I229-L267 HydrophobicContact CD1-CG 4.29Å; I229-L267 HydrophobicContact CG1-CD2 3.89Å; I229-L267 HydrophobicContact CG1-CG 3.98Å
230Y97.1Very high93.7Very high46 Ų4662.2 Ų62.218%0.1831%0.308CS..EExtended strand (participates in β ladder)trans-106147.6-171.2-59-95.3000111.3N228 S232 E236 N237 V238 L266 T268 M277N228-Y230 HydrophobicContact CB-CD2 4.24Å; N228-Y230 HydrophobicContact CB-CE1 4.29Å; N228-Y230 HydrophobicContact CB-CE2 3.45Å; N228-Y230 VanDerWaalsContact CB-CE2 3.45Å; N228-Y230 VanDerWaalsContact CB-CZ 3.49Å; N228-Y230 WeakPolarHBondContact CB-OH 3.48Å; N228-Y230 PolarHBondContact ND2-OH 2.86Å; Y230-S232 PolarHBondContact O-N 3.36Å; Y230-E236 WeakPolarHBondContact CD1-O 3.46Å; Y230-N237 CarbonylContact C-O 3.52Å; Y230-N237 VanDerWaalsContact CA-O 3.28Å; Y230-N237 WeakPolarHBondContact CA-O 3.01Å; Y230-V238 HydrophobicContact CD1-CG2 3.95Å; Y230-V238 HydrophobicContact CE1-CG2 3.65Å; Y230-L266 PolarHBondContact N-O 2.86Å; Y230-L266 PolarHBondContact O-N 2.9Å; Y230-T268 HydrophobicContact CD2-CG2 4.4Å; Y230-T268 HydrophobicContact CE2-CG2 3.75Å; Y230-M277 HydrophobicContact CD2-CE 4.01Å; Y230-M277 HydrophobicContact CG-CE 4.2Å
231D95.5Very high93.9Very high6 Ų667 Ų673%0.03233%0.326CS..EExtended strand (participates in β ladder)trans-56.5126.6166.5179.4-45.8000109.3A233 T234 R235 N237 I239 R261 L262D231-A233 VanDerWaalsContact C-N 3.3Å; D231-A233 PolarHBondContact O-N 3.36Å; D231-A233 WeakPolarHBondContact OD1-CA 3.43Å; D231-A233 VanDerWaalsContact OD1-CB 3.31Å; D231-A233 WeakPolarHBondContact OD1-CB 3.5Å; D231-A233 PolarHBondContact OD1-N 2.58Å; D231-T234 WeakPolarHBondContact CB-OG1 3.49Å; D231-T234 PolarHBondContact OD1-N 2.79Å; D231-T234 VanDerWaalsContact OD1-N 3.07Å; D231-R235 VanDerWaalsContact O-CA 3.24Å; D231-R235 WeakPolarHBondContact O-CA 3.19Å; D231-R235 PolarHBondContact O-N 3.27Å; D231-N237 HydrophobicContact CB-CB 4.1Å; D231-N237 PolarHBondContact N-O 2.87Å; D231-I239 HydrophobicContact CB-CG2 3.93Å; D231-R261 IonicContact OD2-NH2 3.44Å; D231-L262 HydrophobicContact CB-CD1 3.99Å; D231-L262 WeakPolarHBondContact OD1-CD2 3.42Å
232S91.6Very high94.3Very high14 Ų1457.1 Ų57.110%0.09829%0.289CS..THydrogen-bonded Turntrans-73-19.8-175.356.30000114.4Y230 T264Y230-S232 PolarHBondContact O-N 3.36Å; S232-T264 VanDerWaalsContact CB-O 3.27Å; S232-T264 WeakPolarHBondContact CB-O 3.26Å; S232-T264 PolarHBondContact OG-O 2.87Å; S232-T264 PolarHBondContact OG-OG1 2.9Å
233A89.9Confident94.4Very high78 Ų7855.2 Ų55.265%0.64528%0.278SS*.THydrogen-bonded Turntrans-84.3-43.9176.800000111.5D231 L262D231-A233 VanDerWaalsContact C-N 3.3Å; D231-A233 PolarHBondContact O-N 3.36Å; D231-A233 WeakPolarHBondContact OD1-CA 3.43Å; D231-A233 VanDerWaalsContact OD1-CB 3.31Å; D231-A233 WeakPolarHBondContact OD1-CB 3.5Å; D231-A233 PolarHBondContact OD1-N 2.58Å; A233-L262 HydrophobicContact CB-CD2 4.28Å
234T89.6Confident94.5Very high75 Ų7555.3 Ų55.346%0.4628%0.28SS..THydrogen-bonded Turntrans-91.7-27.3-177.866.90000113.8D231 E236 N237D231-T234 WeakPolarHBondContact CB-OG1 3.49Å; D231-T234 PolarHBondContact OD1-N 2.79Å; D231-T234 VanDerWaalsContact OD1-N 3.07Å; T234-E236 PolarHBondContact O-N 2.85Å; T234-N237 PolarHBondContact OG1-N 2.63Å
235R87.8Confident94.5Very high147 Ų14751.2 Ų51.256%0.55527%0.267SS*.SBendtrans63.7-4.6-176.3-42.8-177.983.1177.45.7115.8D231 L266D231-R235 VanDerWaalsContact O-CA 3.24Å; D231-R235 WeakPolarHBondContact O-CA 3.19Å; D231-R235 PolarHBondContact O-N 3.27Å; R235-L266 HydrophobicContact CB-CD1 4.11Å; R235-L266 HydrophobicContact CG-CD1 3.76Å
236E86.8Confident94.3Very high168 Ų16847.8 Ų47.879%0.78526%0.255SS*.SBendtrans-113.9-34.9-178-65.2-175.6165.800112.8Y230 T234 V238Y230-E236 WeakPolarHBondContact CD1-O 3.46Å; T234-E236 PolarHBondContact O-N 2.85Å; E236-V238 PolarHBondContact O-N 3.3Å
237N94.1Very high94.1Very high83 Ų8346.5 Ų46.544%0.44425%0.251SS..  trans-73.2123.7-177.1-174.331.6000111.2Y230 D231 T234 I239Y230-N237 CarbonylContact C-O 3.52Å; Y230-N237 VanDerWaalsContact CA-O 3.28Å; Y230-N237 WeakPolarHBondContact CA-O 3.01Å; D231-N237 HydrophobicContact CB-CB 4.1Å; D231-N237 PolarHBondContact N-O 2.87Å; T234-N237 PolarHBondContact OG1-N 2.63Å; N237-I239 PolarHBondContact O-N 3.49Å
238V96.5Very high94Very high57 Ų5748.7 Ų48.735%0.34526%0.259SS..EExtended strand (participates in β ladder)trans-83.4116.1176.8179.40000109.5N228 I229 Y230 E236 G240N228-V238 HydrophobicContact CB-CG1 4.04Å; N228-V238 HydrophobicContact CB-CG2 3.98Å; I229-V238 CarbonylContact O-C 3.45Å; I229-V238 WeakPolarHBondContact O-CA 3.21Å; Y230-V238 HydrophobicContact CD1-CG2 3.95Å; Y230-V238 HydrophobicContact CE1-CG2 3.65Å; E236-V238 PolarHBondContact O-N 3.3Å; V238-G240 WeakPolarHBondContact CG1-O 3.44Å
239I96.8Very high94.1Very high5 Ų548.9 Ų48.93%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-104-8.4-179.567.9168.3000113I229 D231 N237 N255 D258 L262 V265I229-I239 HydrophobicContact CG2-CG1 4.34Å; I229-I239 PolarHBondContact O-N 2.78Å; D231-I239 HydrophobicContact CB-CG2 3.93Å; N237-I239 PolarHBondContact O-N 3.49Å; I239-N255 PolarHBondContact O-N 2.85Å; I239-D258 HydrophobicContact CG2-CB 4.31Å; I239-L262 HydrophobicContact CD1-CD1 3.78Å; I239-V265 HydrophobicContact CD1-CG1 3.49Å; I239-V265 VanDerWaalsContact CD1-CG1 3.49Å; I239-V265 HydrophobicContact CG1-CG1 4.47Å
240G97.5Very high94Very high4 Ų448.9 Ų48.94%0.04126%0.258CS..EExtended strand (participates in β ladder)trans-176.3-170.9-17600000115.7I229 V238 L253I229-G240 PolarHBondContact N-O 3.45Å; I229-G240 PolarHBondContact O-N 3.4Å; V238-G240 WeakPolarHBondContact CG1-O 3.44Å; G240-L253 CarbonylContact C-O 3.52Å; G240-L253 WeakPolarHBondContact CA-O 3.28Å
241R97.4Very high94Very high110 Ų11046.8 Ų46.842%0.41525%0.249SC..EExtended strand (participates in β ladder)trans-136.6132.4-176.5-63.6-68.2-177.7161-5.6110.7N226 S227 N228 A252 L253N226-R241 VanDerWaalsContact O-CD 3.3Å; N226-R241 WeakPolarHBondContact O-CD 3.48Å; N226-R241 PolarHBondContact O-NH1 2.86Å; S227-R241 WeakPolarHBondContact O-CA 3.02Å; N228-R241 PolarHBondContact OD1-NE 3.39Å; N228-R241 PolarHBondContact OD1-NH1 2.92Å; N228-R241 PolarHBondContact OD1-NH2 2.79Å; R241-A252 CarbonylContact O-C 3.54Å; R241-A252 WeakPolarHBondContact O-CA 3.24Å; R241-L253 PolarHBondContact N-O 3.42Å; R241-L253 PolarHBondContact O-N 2.77Å
242F97.3Very high94.1Very high8 Ų846.5 Ų46.54%0.03525%0.248CC..EExtended strand (participates in β ladder)trans-67.3144.4173.1178.6-97.9000111.3V223 Q224 N226 S227 I229 A245 A250 L267V223-F242 HydrophobicContact CB-CD1 4.49Å; V223-F242 HydrophobicContact CB-CE1 4.29Å; V223-F242 HydrophobicContact CB-CE2 4.32Å; V223-F242 HydrophobicContact CB-CZ 4.19Å; V223-F242 HydrophobicContact CG1-CB 4.05Å; V223-F242 HydrophobicContact CG1-CD1 3.72Å; V223-F242 HydrophobicContact CG1-CD2 3.72Å; V223-F242 HydrophobicContact CG1-CE1 3.99Å; V223-F242 HydrophobicContact CG1-CE2 3.98Å; V223-F242 HydrophobicContact CG1-CG 3.55Å; V223-F242 HydrophobicContact CG1-CZ 4.1Å; V223-F242 WeakPolarHBondContact O-CE1 3.18Å; Q224-F242 VanDerWaalsContact O-CD1 3.29Å; Q224-F242 WeakPolarHBondContact O-CD1 3.16Å; N226-F242 VanDerWaalsContact CA-O 3.31Å; N226-F242 WeakPolarHBondContact CA-O 3.46Å; N226-F242 PolarHBondContact N-O 3.01Å; S227-F242 PolarHBondContact O-N 2.98Å; S227-F242 WeakPolarHBondContact OG-CB 3.23Å; I229-F242 HydrophobicContact CD1-CB 4.21Å; I229-F242 HydrophobicContact CG1-CB 4.42Å; F242-A245 HydrophobicContact CE2-CB 3.99Å; F242-A245 HydrophobicContact CZ-CB 3.61Å; F242-A250 HydrophobicContact CE2-CB 3.83Å; F242-L267 HydrophobicContact CB-CD2 4.05Å; F242-L267 HydrophobicContact CD2-CD2 3.55Å; F242-L267 HydrophobicContact CE2-CD2 4.38Å; F242-L267 HydrophobicContact CG-CD2 4.15Å
243K96.8Very high94.4Very high19 Ų1946.7 Ų46.78%0.08325%0.248CC..EExtended strand (participates in β ladder)trans-120.9-60.7179.5-63.1-63.4-176.5178.90112.7L207 F225 N226 M251L207-K243 HydrophobicContact CD2-CG 3.77Å; F225-K243 WeakPolarHBondContact CD2-O 3.43Å; F225-K243 HydrophobicContact CE2-CD 3.95Å; F225-K243 HydrophobicContact CZ-CD 4.16Å; N226-K243 PolarHBondContact OD1-NZ 3.01Å; K243-M251 HydrophobicContact CB-CB 4.41Å; K243-M251 WeakPolarHBondContact CB-O 3.38Å; K243-M251 PolarHBondContact N-O 2.72Å
244A95.6Very high94.8Very high13 Ų1343 Ų4311%0.10722%0.217CC..EExtended strand (participates in β ladder)trans-153.4160.5-178.100000110.6Y152 E162 A250 M251Y152-A244 HydrophobicContact CE1-CB 4.37Å; Y152-A244 HydrophobicContact CE2-CB 4.47Å; E162-A244 HydrophobicContact CG-CB 4.04Å; A244-A250 CarbonylContact O-C 3.55Å; A244-A250 WeakPolarHBondContact O-CA 3.36Å; A244-A250 WeakPolarHBondContact O-CB 3.48Å; A244-M251 HydrophobicContact CB-CE 4.01Å; A244-M251 PolarHBondContact N-O 2.98Å; A244-M251 PolarHBondContact O-N 2.86Å
245A94.2Very high95.2Very high36 Ų3641.2 Ų41.230%0.29821%0.205SC..EExtended strand (participates in β ladder)trans-142.1151.8176.800000111.6Y152 M220 F242 Y249 A250Y152-A245 WeakPolarHBondContact CE2-O 3.43Å; M220-A245 HydrophobicContact CE-CB 3.8Å; M220-A245 HydrophobicContact CG-CB 3.85Å; M220-A245 HydrophobicContact SD-CB 3.72Å; F242-A245 HydrophobicContact CE2-CB 3.99Å; F242-A245 HydrophobicContact CZ-CB 3.61Å; A245-Y249 WeakPolarHBondContact CA-O 3.15Å; A245-A250 HydrophobicContact CB-CB 3.76Å
246G91.1Very high95.6Very high12 Ų1234.3 Ų34.312%0.12418%0.179CC..EExtended strand (participates in β ladder)trans-167.2133.7-17800000111Y152 Q248 Y249Y152-G246 VanDerWaalsContact CD2-N 3.34Å; G246-Q248 PolarHBondContact O-N 3.3Å; G246-Y249 PolarHBondContact N-O 3.24Å; G246-Y249 PolarHBondContact O-N 2.94Å
247S91.2Very high96Very high38 Ų3830.1 Ų30.127%0.26617%0.165SC..THydrogen-bonded Turntrans52.5-122-171.2-154.10000111.3E145 V149 M220E145-S247 WeakPolarHBondContact OE1-CB 3.38Å; E145-S247 PolarHBondContact OE1-OG 2.9Å; V149-S247 VanDerWaalsContact CG2-CB 3.49Å; M220-S247 WeakPolarHBondContact CE-O 3.27Å
248Q94.4Very high96.1Very high63 Ų6328 Ų2829%0.29415%0.154SC..THydrogen-bonded Turntrans-94.4-1.3172.471-88.111.700116.1F212 L217 G246F212-Q248 PolarHBondContact N-O 3.44Å; L217-Q248 HydrophobicContact CD2-CB 3.84Å; G246-Q248 PolarHBondContact O-N 3.3Å
249Y96.7Very high96.1Very high45 Ų4525.3 Ų25.318%0.17614%0.137CC..EExtended strand (participates in β ladder)trans-107.7155.1-174.9-63.9-72.6000112V149 L210 C211 A245 G246 M283V149-Y249 HydrophobicContact CG1-CD2 4.04Å; V149-Y249 HydrophobicContact CG1-CE2 3.82Å; L210-Y249 CarbonylContact O-C 3.46Å; L210-Y249 WeakPolarHBondContact O-CA 3.29Å; C211-Y249 HydrophobicContact CB-CD1 4.18Å; C211-Y249 HydrophobicContact CB-CE1 4.13Å; A245-Y249 WeakPolarHBondContact CA-O 3.15Å; G246-Y249 PolarHBondContact N-O 3.24Å; G246-Y249 PolarHBondContact O-N 2.94Å; Y249-M283 HydrophobicContact CD1-SD 4.3Å; Y249-M283 HydrophobicContact CE1-SD 3.8Å
250A96.4Very high96.1Very high0 Ų027.8 Ų27.80%015%0.15CC..EExtended strand (participates in β ladder)trans-144.3168.9170.500000111.3P209 L210 F212 F242 A244 A245P209-A250 CarbonylContact C-O 3.58Å; P209-A250 WeakPolarHBondContact CA-O 3.31Å; L210-A250 HydrophobicContact CB-CB 4.18Å; L210-A250 PolarHBondContact N-O 2.93Å; L210-A250 PolarHBondContact O-N 2.87Å; F212-A250 HydrophobicContact CD2-CB 4.38Å; F212-A250 HydrophobicContact CE2-CB 3.67Å; F242-A250 HydrophobicContact CE2-CB 3.83Å; A244-A250 CarbonylContact O-C 3.55Å; A244-A250 WeakPolarHBondContact O-CA 3.36Å; A244-A250 WeakPolarHBondContact O-CB 3.48Å; A245-A250 HydrophobicContact CB-CB 3.76Å
251M96.8Very high96Very high1 Ų135 Ų351%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-118.6140.2175.3-57.5-168.4-6500110.3Y152 A155 L156 P157 E162 K243 A244Y152-M251 HydrophobicContact CD1-CE 3.63Å; Y152-M251 HydrophobicContact CD1-CG 3.84Å; Y152-M251 HydrophobicContact CD1-SD 3.68Å; Y152-M251 HydrophobicContact CE1-CE 3.42Å; Y152-M251 VanDerWaalsContact CE1-CE 3.42Å; Y152-M251 HydrophobicContact CE1-CG 4.49Å; Y152-M251 HydrophobicContact CE1-SD 4.11Å; Y152-M251 HydrophobicContact CG-CG 4.21Å; A155-M251 VanDerWaalsContact CA-SD 3.55Å; A155-M251 HydrophobicContact CB-CB 4.5Å; A155-M251 HydrophobicContact CB-CG 4.08Å; A155-M251 HydrophobicContact CB-SD 4.31Å; L156-M251 VanDerWaalsContact C-SD 3.54Å; P157-M251 HydrophobicContact CB-CE 4.08Å; E162-M251 HydrophobicContact CB-CE 4.37Å; E162-M251 HydrophobicContact CG-CE 4.22Å; E162-M251 WeakPolarHBondContact OE2-CE 3.44Å; K243-M251 HydrophobicContact CB-CB 4.41Å; K243-M251 WeakPolarHBondContact CB-O 3.38Å; K243-M251 PolarHBondContact N-O 2.72Å; A244-M251 HydrophobicContact CB-CE 4.01Å; A244-M251 PolarHBondContact N-O 2.98Å; A244-M251 PolarHBondContact O-N 2.86Å
252A97.9Very high95.9Very high0 Ų031 Ų310%016%0.163CC..EExtended strand (participates in β ladder)trans-142141.5176.700000111.5L207 M208 L210 I229 R241 L254L207-A252 CarbonylContact C-O 3.56Å; L207-A252 VanDerWaalsContact CA-O 3.28Å; L207-A252 WeakPolarHBondContact CA-O 3.31Å; M208-A252 PolarHBondContact N-O 2.98Å; M208-A252 PolarHBondContact O-N 3.07Å; L210-A252 HydrophobicContact CD1-CB 3.63Å; L210-A252 HydrophobicContact CG-CB 4.04Å; I229-A252 HydrophobicContact CD1-CB 3.29Å; R241-A252 CarbonylContact O-C 3.54Å; R241-A252 WeakPolarHBondContact O-CA 3.24Å; A252-L254 HydrophobicContact CB-CD1 4.32Å; A252-L254 HydrophobicContact CB-CD2 3.71Å; A252-L254 HydrophobicContact CB-CG 3.84Å; A252-L254 PolarHBondContact O-N 3.38Å
253L98.2Very high95.9Very high19 Ų1932 Ų3210%0.09918%0.176CC..EExtended strand (participates in β ladder)trans-82.5107.3168.5-179.963.1000108.5E172 K205 L207 G240 R241E172-L253 HydrophobicContact CB-CD1 3.81Å; E172-L253 HydrophobicContact CG-CD1 4.09Å; K205-L253 HydrophobicContact CB-CD1 3.88Å; K205-L253 HydrophobicContact CB-CG 4.29Å; L207-L253 HydrophobicContact CD2-CB 4.05Å; G240-L253 CarbonylContact C-O 3.52Å; G240-L253 WeakPolarHBondContact CA-O 3.28Å; R241-L253 PolarHBondContact N-O 3.42Å; R241-L253 PolarHBondContact O-N 2.77Å
254L98.2Very high95.9Very high0 Ų033 Ų330%018%0.183CC..EExtended strand (participates in β ladder)trans-120.6151.6-173.9-56.3-179.1000111.3K205 R206 M208 L210 I229 A252 V256 A259 V282K205-L254 WeakPolarHBondContact CA-O 3.39Å; R206-L254 PolarHBondContact N-O 2.82Å; R206-L254 PolarHBondContact O-N 3.07Å; M208-L254 HydrophobicContact CB-CD1 3.92Å; M208-L254 HydrophobicContact CB-CG 4.36Å; M208-L254 HydrophobicContact SD-CB 4.14Å; M208-L254 HydrophobicContact SD-CD1 4.26Å; L210-L254 HydrophobicContact CD2-CD1 4.07Å; I229-L254 HydrophobicContact CB-CD2 4.19Å; I229-L254 HydrophobicContact CD1-CD2 3.76Å; I229-L254 HydrophobicContact CG2-CD2 3.96Å; A252-L254 HydrophobicContact CB-CD1 4.32Å; A252-L254 HydrophobicContact CB-CD2 3.71Å; A252-L254 HydrophobicContact CB-CG 3.84Å; A252-L254 PolarHBondContact O-N 3.38Å; L254-V256 PolarHBondContact O-N 2.95Å; L254-A259 HydrophobicContact CB-CB 3.85Å; L254-A259 HydrophobicContact CD1-CB 3.69Å; L254-A259 HydrophobicContact CG-CB 4.4Å; L254-V282 HydrophobicContact CD1-CG1 4.21Å; L254-V282 HydrophobicContact CD1-CG2 4.09Å
255N97.4Very high96Very high37 Ų3732.3 Ų32.320%0.19818%0.178CC..EExtended strand (participates in β ladder)trans-61118.4158.3179.1-34.3000108.8R204 I239 T257 D258 A259R204-N255 CarbonylContact O-C 3.48Å; R204-N255 VanDerWaalsContact O-CA 3.3Å; R204-N255 WeakPolarHBondContact O-CA 3.49Å; I239-N255 PolarHBondContact O-N 2.85Å; N255-T257 PolarHBondContact OD1-N 2.83Å; N255-T257 VanDerWaalsContact OD1-N 3.12Å; N255-D258 HydrophobicContact CB-CB 4.07Å; N255-D258 PolarHBondContact ND2-OD2 3.35Å; N255-D258 PolarHBondContact OD1-N 3.45Å; N255-A259 WeakPolarHBondContact O-CB 3.45Å; N255-A259 PolarHBondContact O-N 2.83Å
256V96.9Very high96.1Very high3 Ų330.9 Ų30.92%0.01817%0.165CC..Hα-helixtrans-61.5-51.8-172.3-179.90000111R204 R206 L254 D258 A259 L260 W288 V292R204-V256 PolarHBondContact O-N 2.83Å; R206-V256 HydrophobicContact CB-CG2 3.81Å; R206-V256 HydrophobicContact CG-CG2 3.89Å; L254-V256 PolarHBondContact O-N 2.95Å; V256-D258 PolarHBondContact O-N 3.37Å; V256-A259 PolarHBondContact O-N 3.01Å; V256-L260 HydrophobicContact CG1-CD1 3.85Å; V256-L260 HydrophobicContact CG1-CG 4.35Å; V256-L260 WeakPolarHBondContact O-CB 3.35Å; V256-L260 WeakPolarHBondContact O-CG 3.08Å; V256-L260 PolarHBondContact O-N 3.5Å; V256-W288 HydrophobicContact CG1-CZ3 4.07Å; V256-W288 HydrophobicContact CG2-CH2 4.42Å; V256-V292 HydrophobicContact CG1-CG1 4.26Å
257T95.6Very high96.3Very high80 Ų8030.3 Ų30.349%0.49116%0.159SC..Hα-helixtrans-62-44.4-177.4-51.20000111.9N255 R261 S293N255-T257 PolarHBondContact OD1-N 2.83Å; N255-T257 VanDerWaalsContact OD1-N 3.12Å; T257-R261 VanDerWaalsContact O-CB 3.25Å; T257-R261 WeakPolarHBondContact O-CB 3.31Å; T257-R261 PolarHBondContact O-N 3.37Å; T257-R261 VanDerWaalsContact O-N 3.08Å; T257-S293 VanDerWaalsContact CA-OXT 3.29Å; T257-S293 WeakPolarHBondContact CA-OXT 3.44Å; T257-S293 PolarHBondContact OG1-O 3.02Å
258D95.9Very high96.3Very high39 Ų3929.6 Ų29.621%0.20915%0.153CC..Hα-helixtrans-66.1-45.1177.7-72-40.1000111.4I239 N255 V256 R261 L262I239-D258 HydrophobicContact CG2-CB 4.31Å; N255-D258 HydrophobicContact CB-CB 4.07Å; N255-D258 PolarHBondContact ND2-OD2 3.35Å; N255-D258 PolarHBondContact OD1-N 3.45Å; V256-D258 PolarHBondContact O-N 3.37Å; D258-R261 PolarHBondContact O-N 3.06Å; D258-R261 IonicContact OD1-NH2 3.74Å; D258-L262 WeakPolarHBondContact O-CB 3.48Å; D258-L262 WeakPolarHBondContact O-CD1 3.48Å; D258-L262 WeakPolarHBondContact O-CG 3.3Å; D258-L262 PolarHBondContact O-N 2.87Å
259A96.6Very high96.1Very high0 Ų026.7 Ų26.70%014%0.14CC..Hα-helixtrans-66.2-40.9-176.600000112.4M208 L254 N255 V256 G263 V282M208-A259 HydrophobicContact CE-CB 4.38Å; M208-A259 HydrophobicContact SD-CB 3.79Å; L254-A259 HydrophobicContact CB-CB 3.85Å; L254-A259 HydrophobicContact CD1-CB 3.69Å; L254-A259 HydrophobicContact CG-CB 4.4Å; N255-A259 WeakPolarHBondContact O-CB 3.45Å; N255-A259 PolarHBondContact O-N 2.83Å; V256-A259 PolarHBondContact O-N 3.01Å; A259-G263 PolarHBondContact O-N 3.34Å; A259-V282 HydrophobicContact CB-CG1 4.01Å; A259-V282 HydrophobicContact CB-CG2 4.39Å
260L95.5Very high95.6Very high56 Ų5630 Ų3029%0.29316%0.155SC..Hα-helixtrans-68.5-39.8175.5-69-179.9000112.1M208 V256 R284 S293M208-L260 HydrophobicContact CE-CD2 3.61Å; M208-L260 HydrophobicContact CE-CG 3.99Å; V256-L260 HydrophobicContact CG1-CD1 3.85Å; V256-L260 HydrophobicContact CG1-CG 4.35Å; V256-L260 WeakPolarHBondContact O-CB 3.35Å; V256-L260 WeakPolarHBondContact O-CG 3.08Å; V256-L260 PolarHBondContact O-N 3.5Å; L260-R284 HydrophobicContact CD2-CB 3.99Å; L260-R284 HydrophobicContact CD2-CG 4.43Å; L260-S293 WeakPolarHBondContact CD1-OXT 3.29Å
261R95.5Very high94.8Very high155 Ų15534.2 Ų34.259%0.58518%0.178SC*.Hα-helixtrans-62.8-43.3176.1-179.9-177.363.585.12.1112.1D231 T257 D258D231-R261 IonicContact OD2-NH2 3.44Å; T257-R261 VanDerWaalsContact O-CB 3.25Å; T257-R261 WeakPolarHBondContact O-CB 3.31Å; T257-R261 PolarHBondContact O-N 3.37Å; T257-R261 VanDerWaalsContact O-N 3.08Å; D258-R261 PolarHBondContact O-N 3.06Å; D258-R261 IonicContact OD1-NH2 3.74Å
262L96Very high93.9Very high28 Ų2840.5 Ų40.515%0.14722%0.216CC..Hα-helixtrans-77.3-35.1-176-68.9166.9000112.9D231 A233 I239 D258 T264D231-L262 HydrophobicContact CB-CD1 3.99Å; D231-L262 WeakPolarHBondContact OD1-CD2 3.42Å; A233-L262 HydrophobicContact CB-CD2 4.28Å; I239-L262 HydrophobicContact CD1-CD1 3.78Å; D258-L262 WeakPolarHBondContact O-CB 3.48Å; D258-L262 WeakPolarHBondContact O-CD1 3.48Å; D258-L262 WeakPolarHBondContact O-CG 3.3Å; D258-L262 PolarHBondContact O-N 2.87Å; L262-T264 PolarHBondContact O-N 3.03Å
263G96.1Very high92.9Very high29 Ų2948.9 Ų48.930%0.29926%0.255SS..SBendtrans66.1-16.8-177.900000115.6A259 V282A259-G263 PolarHBondContact O-N 3.34Å; G263-V282 PolarHBondContact O-N 2.91Å
264T97.2Very high92.2Very high38 Ų3853.3 Ų53.323%0.23328%0.275CS..EExtended strand (participates in β ladder)trans-141.6150.417460.70000110.1S232 L262 C280S232-T264 VanDerWaalsContact CB-O 3.27Å; S232-T264 WeakPolarHBondContact CB-O 3.26Å; S232-T264 PolarHBondContact OG-O 2.87Å; S232-T264 PolarHBondContact OG-OG1 2.9Å; L262-T264 PolarHBondContact O-N 3.03Å; T264-C280 CarbonylContact C-O 3.59Å; T264-C280 VanDerWaalsContact CA-O 3.23Å; T264-C280 WeakPolarHBondContact CA-O 3.22Å; T264-C280 WeakPolarHBondContact CB-O 3.48Å
265V97.4Very high91.6Very high0 Ų057.6 Ų57.60%030%0.302CS..EExtended strand (participates in β ladder)trans-135.1166.7-179.6-63.60000110.7L210 I229 I239 L267 R279 C280 V282L210-V265 HydrophobicContact CD2-CG2 3.84Å; I229-V265 HydrophobicContact CG2-CB 3.57Å; I229-V265 HydrophobicContact CG2-CG1 4.13Å; I229-V265 HydrophobicContact CG2-CG2 3.63Å; I239-V265 HydrophobicContact CD1-CG1 3.49Å; I239-V265 VanDerWaalsContact CD1-CG1 3.49Å; I239-V265 HydrophobicContact CG1-CG1 4.47Å; V265-L267 HydrophobicContact CG2-CD1 4.15Å; V265-R279 WeakPolarHBondContact O-CA 3.33Å; V265-C280 WeakPolarHBondContact CG2-SG 3.48Å; V265-C280 PolarHBondContact N-O 3.03Å; V265-C280 PolarHBondContact O-N 3.18Å; V265-V282 HydrophobicContact CB-CG2 4.34Å; V265-V282 HydrophobicContact CG1-CG2 3.51Å; V265-V282 HydrophobicContact CG2-CG2 4.01Å
266L96.8Very high91.2Very high5 Ų561.6 Ų61.63%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-114.3131.9176.7-62.3170.1000111I229 Y230 R235 M277 I278 R279I229-L266 WeakPolarHBondContact CA-O 3.45Å; Y230-L266 PolarHBondContact N-O 2.86Å; Y230-L266 PolarHBondContact O-N 2.9Å; R235-L266 HydrophobicContact CB-CD1 4.11Å; R235-L266 HydrophobicContact CG-CD1 3.76Å; L266-M277 HydrophobicContact CB-CE 3.64Å; L266-M277 HydrophobicContact CD1-CE 3.88Å; L266-M277 HydrophobicContact CD1-SD 4.07Å; L266-M277 HydrophobicContact CG-CE 4.37Å; L266-I278 CarbonylContact C-O 3.5Å; L266-I278 VanDerWaalsContact CA-O 3.3Å; L266-I278 WeakPolarHBondContact CA-O 3.38Å; L266-R279 HydrophobicContact CD2-CB 3.85Å; L266-R279 HydrophobicContact CD2-CG 4.32Å
267L95.5Very high90.9Very high0 Ų064.9 Ų64.90%033%0.33CS..EExtended strand (participates in β ladder)trans-115148.1173.4-64.496.1000110.3L210 F212 V223 I229 F242 V265 M277 I278 C280L210-L267 HydrophobicContact CD1-CD1 4.14Å; L210-L267 HydrophobicContact CD1-CD2 4.18Å; F212-L267 HydrophobicContact CZ-CD1 4.15Å; F212-L267 HydrophobicContact CZ-CD2 4.47Å; V223-L267 HydrophobicContact CG1-CB 4.45Å; V223-L267 HydrophobicContact CG1-CD2 3.89Å; V223-L267 HydrophobicContact CG2-CB 4.47Å; I229-L267 HydrophobicContact CD1-CD2 3.86Å; I229-L267 HydrophobicContact CD1-CG 4.29Å; I229-L267 HydrophobicContact CG1-CD2 3.89Å; I229-L267 HydrophobicContact CG1-CG 3.98Å; F242-L267 HydrophobicContact CB-CD2 4.05Å; F242-L267 HydrophobicContact CD2-CD2 3.55Å; F242-L267 HydrophobicContact CE2-CD2 4.38Å; F242-L267 HydrophobicContact CG-CD2 4.15Å; V265-L267 HydrophobicContact CG2-CD1 4.15Å; L267-M277 CarbonylContact O-C 3.5Å; L267-M277 VanDerWaalsContact O-CA 3.28Å; L267-M277 WeakPolarHBondContact O-CA 3.3Å; L267-I278 PolarHBondContact N-O 3.09Å; L267-I278 PolarHBondContact O-N 3.06Å; L267-C280 HydrophobicContact CD1-CB 4.23Å; L267-C280 WeakPolarHBondContact CD1-SG 3.45Å
268T91Very high90.8Very high24 Ų2461.1 Ų61.115%0.14731%0.307CS..EExtended strand (participates in β ladder)trans-93.1116.517254.30000110.2Y230 T275 R276Y230-T268 HydrophobicContact CD2-CG2 4.4Å; Y230-T268 HydrophobicContact CE2-CG2 3.75Å; T268-T275 HydrophobicContact CG2-CG2 4.06Å; T268-R276 WeakPolarHBondContact CA-O 3.47Å
269A90.6Very high90.8Very high1 Ų165.9 Ų65.91%0.00832%0.322CS..EExtended strand (participates in β ladder)trans-94.5129.5164.300000109.3L219 L222 V223 T275 R276 I278L219-A269 HydrophobicContact CB-CB 4.44Å; L222-A269 HydrophobicContact CB-CB 4Å; V223-A269 HydrophobicContact CG2-CB 4.1Å; A269-T275 WeakPolarHBondContact O-CA 3.28Å; A269-R276 PolarHBondContact N-O 2.82Å; A269-R276 PolarHBondContact O-N 2.9Å; A269-I278 HydrophobicContact CB-CD1 3.58Å; A269-I278 HydrophobicContact CB-CG1 4.11Å
270K86Confident90.7Very high116 Ų11666 Ų6650%0.50432%0.323SS..EExtended strand (participates in β ladder)trans-106.8115178.2-69-175.3177.9-178.70109.1L222 T275L222-K270 PolarHBondContact O-N 3.09Å; K270-T275 HydrophobicContact CG-CG2 4.46Å
271D80.3Confident90.8Very high88 Ų8869.6 Ų69.647%0.47134%0.336SS..  trans-91.8170.5162.4-161.41.7000109.2L222 E273 Q274L222-D271 HydrophobicContact CD1-CB 4.14Å; D271-E273 PolarHBondContact O-N 3.47Å; D271-Q274 PolarHBondContact N-O 3.04Å
272T77.3Confident90.9Very high132 Ų13262.8 Ų62.881%0.8131%0.312SS*.SBendtrans-52-30.3-176.647.60000113.9
273E77Confident91Very high177 Ų17764.3 Ų64.383%0.82732%0.319SS*.SBendtrans-125-12.3-175.1-63.2-174.7175.600114.6D271D271-E273 PolarHBondContact O-N 3.47Å
274Q82.8Confident90.9Very high111 Ų11167 Ų6752%0.51932%0.32SS..  trans-141.8139-172.2-65.4-172.9-3.500112.6D271D271-Q274 PolarHBondContact N-O 3.04Å
275T85.9Confident90.9Very high91 Ų9165.2 Ų65.256%0.55831%0.309SS*.EExtended strand (participates in β ladder)trans-95.2121.4166.4-59.70000108.8T268 A269 K270T268-T275 HydrophobicContact CG2-CG2 4.06Å; A269-T275 WeakPolarHBondContact O-CA 3.28Å; K270-T275 HydrophobicContact CG-CG2 4.46Å
276R89.7Confident90.6Very high121 Ų12173.9 Ų73.946%0.45735%0.35SS..EExtended strand (participates in β ladder)trans-107.9143.4174.4-65.2-173179.4-173.82.7109.9T268 A269T268-R276 WeakPolarHBondContact CA-O 3.47Å; A269-R276 PolarHBondContact N-O 2.82Å; A269-R276 PolarHBondContact O-N 2.9Å
277M90.9Very high90.5Very high72 Ų7276.2 Ų76.236%0.35536%0.358SS..EExtended strand (participates in β ladder)trans-93.4125.9168.7-65.6-163.6102.300109.4Y230 L266 L267Y230-M277 HydrophobicContact CD2-CE 4.01Å; Y230-M277 HydrophobicContact CG-CE 4.2Å; L266-M277 HydrophobicContact CB-CE 3.64Å; L266-M277 HydrophobicContact CD1-CE 3.88Å; L266-M277 HydrophobicContact CD1-SD 4.07Å; L266-M277 HydrophobicContact CG-CE 4.37Å; L267-M277 CarbonylContact O-C 3.5Å; L267-M277 VanDerWaalsContact O-CA 3.28Å; L267-M277 WeakPolarHBondContact O-CA 3.3Å
278I93.8Very high90.5Very high1 Ų176.8 Ų76.81%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-101.9133.2173.2-52.4165.9000107.9F212 D216 L219 V223 L266 L267 A269F212-I278 HydrophobicContact CD1-CG2 3.73Å; F212-I278 HydrophobicContact CE1-CB 4.31Å; F212-I278 HydrophobicContact CE1-CD1 4.17Å; F212-I278 HydrophobicContact CE1-CG2 3.65Å; D216-I278 HydrophobicContact CB-CG2 3.73Å; L219-I278 HydrophobicContact CB-CD1 3.49Å; L219-I278 VanDerWaalsContact CB-CD1 3.49Å; L219-I278 HydrophobicContact CB-CG1 3.9Å; L219-I278 HydrophobicContact CD1-CG1 4.24Å; V223-I278 HydrophobicContact CG2-CD1 3.82Å; L266-I278 CarbonylContact C-O 3.5Å; L266-I278 VanDerWaalsContact CA-O 3.3Å; L266-I278 WeakPolarHBondContact CA-O 3.38Å; L267-I278 PolarHBondContact N-O 3.09Å; L267-I278 PolarHBondContact O-N 3.06Å; A269-I278 HydrophobicContact CB-CD1 3.58Å; A269-I278 HydrophobicContact CB-CG1 4.11Å
279R95Very high90.7Very high138 Ų13878.2 Ų78.252%0.52137%0.37SS..EExtended strand (participates in β ladder)trans-93.2128.4170.6-178.1178.6-70.4-132.5-3108.7V265 L266V265-R279 WeakPolarHBondContact O-CA 3.33Å; L266-R279 HydrophobicContact CD2-CB 3.85Å; L266-R279 HydrophobicContact CD2-CG 4.32Å
280C94.8Very high90.7Very high3 Ų382.9 Ų82.92%0.0241%0.409CS..EExtended strand (participates in β ladder)trans-130.3154.9173.770.80000110.9C211 F212 T264 V265 L267C211-C280 WeakPolarHBondContact O-CB 3.41Å; F212-C280 HydrophobicContact CD1-CB 4.21Å; F212-C280 HydrophobicContact CD2-CB 4.26Å; F212-C280 HydrophobicContact CE1-CB 4.16Å; F212-C280 HydrophobicContact CE2-CB 4.19Å; F212-C280 HydrophobicContact CG-CB 4.26Å; F212-C280 HydrophobicContact CZ-CB 4.15Å; T264-C280 CarbonylContact C-O 3.59Å; T264-C280 VanDerWaalsContact CA-O 3.23Å; T264-C280 WeakPolarHBondContact CA-O 3.22Å; T264-C280 WeakPolarHBondContact CB-O 3.48Å; V265-C280 WeakPolarHBondContact CG2-SG 3.48Å; V265-C280 PolarHBondContact N-O 3.03Å; V265-C280 PolarHBondContact O-N 3.18Å; L267-C280 HydrophobicContact CD1-CB 4.23Å; L267-C280 WeakPolarHBondContact CD1-SG 3.45Å
281K97.5Very high90.9Very high132 Ų13282.1 Ų82.157%0.57442%0.418SS*.EExtended strand (participates in β ladder)trans-80.4135.8177-171.9176.7-179.9-179.80109.7L210 C211L210-K281 CarbonylContact C-O 3.56Å; L210-K281 VanDerWaalsContact CA-O 3.29Å; L210-K281 WeakPolarHBondContact CA-O 3.5Å; C211-K281 HydrophobicContact CB-CB 4.48Å; C211-K281 PolarHBondContact N-O 3.05Å; C211-K281 PolarHBondContact O-N 2.74Å
282V97.7Very high91.3Very high11 Ų1178.8 Ų78.87%0.06740%0.401CS..EExtended strand (participates in β ladder)trans-84.9133.1167.21790000108M208 L210 L254 A259 G263 V265M208-V282 HydrophobicContact CE-CG1 3.63Å; M208-V282 HydrophobicContact SD-CG1 4.36Å; L210-V282 HydrophobicContact CD2-CB 4.49Å; L210-V282 HydrophobicContact CD2-CG2 3.89Å; L254-V282 HydrophobicContact CD1-CG1 4.21Å; L254-V282 HydrophobicContact CD1-CG2 4.09Å; A259-V282 HydrophobicContact CB-CG1 4.01Å; A259-V282 HydrophobicContact CB-CG2 4.39Å; G263-V282 PolarHBondContact O-N 2.91Å; V265-V282 HydrophobicContact CB-CG2 4.34Å; V265-V282 HydrophobicContact CG1-CG2 3.51Å; V265-V282 HydrophobicContact CG2-CG2 4.01Å
283M97Very high91.5Very high61 Ų6177 Ų7730%0.339%0.394SS..  trans-108.8148.7173.1-58.3-178.263.700110.1P209 C211 Y249P209-M283 HydrophobicContact CB-CB 4.02Å; P209-M283 WeakPolarHBondContact CD-O 3.43Å; P209-M283 HydrophobicContact CG-CB 4.16Å; P209-M283 PolarHBondContact O-N 3.22Å; C211-M283 HydrophobicContact CB-CG 4.26Å; C211-M283 HydrophobicContact CB-SD 3.66Å; Y249-M283 HydrophobicContact CD1-SD 4.3Å; Y249-M283 HydrophobicContact CE1-SD 3.8Å
284R95.6Very high92.2Very high84 Ų8472 Ų7232%0.31737%0.372SS..  trans-91.7125.8166.1178.6-176.4177.4732.9108.1L260 Q286 W288 P289 V292L260-R284 HydrophobicContact CD2-CB 3.99Å; L260-R284 HydrophobicContact CD2-CG 4.43Å; R284-Q286 PolarHBondContact O-N 3.28Å; R284-W288 HydrophobicContact CG-CE3 4.45Å; R284-W288 PolarHBondContact NH2-O 2.86Å; R284-P289 PolarHBondContact NH2-O 3.13Å; R284-V292 VanDerWaalsContact CZ-O 3.24Å; R284-V292 PolarHBondContact NH1-O 2.92Å; R284-V292 PolarHBondContact NH2-O 3.39Å; R284-V292 VanDerWaalsContact NH2-O 3.08Å
285P95.4Very high92.7Very high2 Ų269.9 Ų69.91%0.01336%0.364CS..  trans-59.3134.2171.8-20.931.6000111.5P209 W287 W288P209-P285 HydrophobicContact CG-CG 3.93Å; P285-W287 HydrophobicContact CB-CD2 4.44Å; P285-W287 HydrophobicContact CB-CG 4.36Å; P285-W287 HydrophobicContact CB-CZ2 4.36Å; P285-W287 PolarHBondContact O-N 3.03Å; P285-W288 HydrophobicContact CB-CD2 4.3Å; P285-W288 HydrophobicContact CB-CG 4.1Å; P285-W288 HydrophobicContact CG-CD2 3.94Å; P285-W288 HydrophobicContact CG-CE3 4.48Å; P285-W288 HydrophobicContact CG-CG 4.26Å; P285-W288 HydrophobicContact CG-CZ2 4.02Å; P285-W288 PolarHBondContact O-N 3.22Å
286Q92.4Very high93Very high181 Ų18168.8 Ų68.885%0.84635%0.354SS*.THydrogen-bonded Turntrans-68.2-26.7-174.2-68.2-178-7.300113R284 W288R284-Q286 PolarHBondContact O-N 3.28Å; Q286-W288 VanDerWaalsContact C-N 3.3Å; Q286-W288 PolarHBondContact O-N 2.95Å
287W95.1Very high93.2Very high55 Ų5565.7 Ų65.721%0.20835%0.348CS..THydrogen-bonded Turntrans-80.5-7.8-179.459.9-90.3000113.4L126 Q154 L156 L177 L178 P285L126-W287 HydrophobicContact CD1-CB 4.29Å; L126-W287 HydrophobicContact CD1-CD2 4.04Å; L126-W287 HydrophobicContact CD1-CG 3.65Å; L126-W287 HydrophobicContact CD2-CB 3.78Å; L126-W287 HydrophobicContact CD2-CD2 3.99Å; L126-W287 HydrophobicContact CD2-CE3 4.25Å; L126-W287 HydrophobicContact CD2-CG 3.76Å; L126-W287 HydrophobicContact CG-CG 4.39Å; Q154-W287 PolarHBondContact O-NE1 3.36Å; Q154-W287 VanDerWaalsContact OE1-CD1 3.23Å; L156-W287 HydrophobicContact CD2-CH2 4.36Å; L156-W287 HydrophobicContact CD2-CZ2 3.75Å; L177-W287 HydrophobicContact CB-CE3 4.3Å; L177-W287 HydrophobicContact CB-CH2 4.25Å; L177-W287 HydrophobicContact CB-CZ3 3.45Å; L177-W287 VanDerWaalsContact CB-CZ3 3.45Å; L177-W287 HydrophobicContact CD1-CZ3 4.3Å; L178-W287 HydrophobicContact CD1-CH2 4.28Å; L178-W287 HydrophobicContact CD2-CE3 4.22Å; L178-W287 HydrophobicContact CD2-CH2 3.55Å; L178-W287 HydrophobicContact CD2-CZ2 4.07Å; L178-W287 HydrophobicContact CD2-CZ3 3.62Å; L178-W287 HydrophobicContact CG-CH2 3.65Å; L178-W287 HydrophobicContact CG-CZ2 4.5Å; L178-W287 HydrophobicContact CG-CZ3 3.84Å; P285-W287 HydrophobicContact CB-CD2 4.44Å; P285-W287 HydrophobicContact CB-CG 4.36Å; P285-W287 HydrophobicContact CB-CZ2 4.36Å; P285-W287 PolarHBondContact O-N 3.03Å
288W95.5Very high93.4Very high11 Ų1165.3 Ų65.34%0.04235%0.347CS..SBendtrans-71.9131.4175.5-78.97.1000111.5L177 R206 L207 M208 V256 R284 P285 Q286 V292L177-W288 HydrophobicContact CD1-CG 4.18Å; R206-W288 HydrophobicContact CB-CH2 3.63Å; R206-W288 HydrophobicContact CB-CZ2 3.76Å; R206-W288 HydrophobicContact CG-CH2 4.32Å; R206-W288 HydrophobicContact CG-CZ2 4.38Å; L207-W288 WeakPolarHBondContact O-CZ2 3.37Å; M208-W288 HydrophobicContact CE-CH2 4.41Å; M208-W288 HydrophobicContact CE-CZ3 4.15Å; M208-W288 HydrophobicContact CG-CH2 3.64Å; M208-W288 HydrophobicContact CG-CZ2 4.46Å; M208-W288 HydrophobicContact CG-CZ3 4.31Å; M208-W288 HydrophobicContact SD-CH2 4.25Å; M208-W288 HydrophobicContact SD-CZ3 4.43Å; V256-W288 HydrophobicContact CG1-CZ3 4.07Å; V256-W288 HydrophobicContact CG2-CH2 4.42Å; R284-W288 HydrophobicContact CG-CE3 4.45Å; R284-W288 PolarHBondContact NH2-O 2.86Å; P285-W288 HydrophobicContact CB-CD2 4.3Å; P285-W288 HydrophobicContact CB-CG 4.1Å; P285-W288 HydrophobicContact CG-CD2 3.94Å; P285-W288 HydrophobicContact CG-CE3 4.48Å; P285-W288 HydrophobicContact CG-CG 4.26Å; P285-W288 HydrophobicContact CG-CZ2 4.02Å; P285-W288 PolarHBondContact O-N 3.22Å; Q286-W288 VanDerWaalsContact C-N 3.3Å; Q286-W288 PolarHBondContact O-N 2.95Å; W288-V292 HydrophobicContact CD2-CG1 4.02Å; W288-V292 HydrophobicContact CE3-CB 4.21Å; W288-V292 HydrophobicContact CE3-CG1 3.45Å; W288-V292 VanDerWaalsContact CE3-CG1 3.45Å; W288-V292 HydrophobicContact CH2-CG1 4.46Å; W288-V292 HydrophobicContact CZ3-CG1 3.7Å
289P94.5Very high93.4Very high55 Ų5569.6 Ų69.636%0.35737%0.37SS..  trans-63.9148.8174.828.6-33.3000110.4L177 R284 S291 V292L177-P289 HydrophobicContact CD2-CG 3.96Å; R284-P289 PolarHBondContact NH2-O 3.13Å; P289-S291 PolarHBondContact O-N 2.98Å; P289-V292 HydrophobicContact CG-CG2 3.96Å; P289-V292 PolarHBondContact O-N 3.5Å
290A91.3Very high93.2Very high98 Ų9864.7 Ų64.781%0.8136%0.359SS*.THydrogen-bonded Turntrans-56.6-22.6-175.900000114.2V292A290-V292 VanDerWaalsContact C-N 3.25Å; A290-V292 PolarHBondContact O-N 2.85Å
291S89.1Confident93.1Very high101 Ų10169.5 Ų69.571%0.70639%0.385SS*.THydrogen-bonded Turntrans-67.1-19.7176.952.50000114.5P289 S293P289-S291 PolarHBondContact O-N 2.98Å; S291-S293 PolarHBondContact O-N 3.47Å
292V88.7Confident92.8Very high17 Ų1764.3 Ų64.310%0.10337%0.369CS..  trans-82.4110175.4178.40000107.8L177 V256 R284 W288 P289 A290L177-V292 HydrophobicContact CD1-CG2 3.93Å; V256-V292 HydrophobicContact CG1-CG1 4.26Å; R284-V292 VanDerWaalsContact CZ-O 3.24Å; R284-V292 PolarHBondContact NH1-O 2.92Å; R284-V292 PolarHBondContact NH2-O 3.39Å; R284-V292 VanDerWaalsContact NH2-O 3.08Å; W288-V292 HydrophobicContact CD2-CG1 4.02Å; W288-V292 HydrophobicContact CE3-CB 4.21Å; W288-V292 HydrophobicContact CE3-CG1 3.45Å; W288-V292 VanDerWaalsContact CE3-CG1 3.45Å; W288-V292 HydrophobicContact CH2-CG1 4.46Å; W288-V292 HydrophobicContact CZ3-CG1 3.7Å; P289-V292 HydrophobicContact CG-CG2 3.96Å; P289-V292 PolarHBondContact O-N 3.5Å; A290-V292 VanDerWaalsContact C-N 3.25Å; A290-V292 PolarHBondContact O-N 2.85Å
293S81Confident92.3Very high95 Ų9569.1 Ų69.166%0.66440%0.397SS*.  trans-1460-178.464.30000112.9T257 L260 S291T257-S293 VanDerWaalsContact CA-OXT 3.29Å; T257-S293 WeakPolarHBondContact CA-OXT 3.44Å; T257-S293 PolarHBondContact OG1-O 3.02Å; L260-S293 WeakPolarHBondContact CD1-OXT 3.29Å; S291-S293 PolarHBondContact O-N 3.47Å

Retrieved 293 of 293 residues in 496.5 ms (Link to these results)

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