A0A077ZIR0_TRITR Loading...

RraB domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIR0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 138 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
1M62.5Low85.8Confident201 Ų20192.2 Ų92.299%0.9945%0.452SS*.  0114.30-99.5-174.2176.200101.7E102M1-E102 VanDerWaalsContact CA-OE2 3.28Å; M1-E102 WeakPolarHBondContact CA-OE2 3.1Å; M1-E102 PolarHBondContact N-OE1 3.18Å; M1-E102 PolarHBondContact N-OE2 3.34Å
2A74Confident86.5Confident12 Ų1294.7 Ų94.710%0.09946%0.462CS..  trans-54.5144.5-165.700000111.1P4 L7 M98 E102A2-P4 WeakPolarHBondContact O-CD 3.33Å; A2-L7 HydrophobicContact CB-CD1 3.87Å; A2-L7 HydrophobicContact CB-CD2 4.04Å; A2-L7 HydrophobicContact CB-CG 3.94Å; A2-M98 HydrophobicContact CB-CB 3.58Å; A2-M98 HydrophobicContact CB-SD 4.36Å; A2-E102 WeakPolarHBondContact CA-OE2 3.29Å; A2-E102 PolarHBondContact N-OE2 3.25Å
3N83.1Confident87.1Confident67 Ų6793.8 Ų93.836%0.35846%0.457SS..  trans-59.8120.1-174.7-170.623.8000109.4E5 Q6 L7N3-E5 PolarHBondContact O-N 3.34Å; N3-Q6 HydrophobicContact CB-CB 4.24Å; N3-Q6 HydrophobicContact CB-CG 4.21Å; N3-Q6 PolarHBondContact ND2-OE1 2.78Å; N3-Q6 PolarHBondContact O-N 3.14Å; N3-Q6 VanDerWaalsContact O-N 3.13Å; N3-L7 PolarHBondContact O-N 2.86Å
4P86.9Confident87.7Confident94 Ų9487.1 Ų87.161%0.6142%0.424SS*.Hα-helixtrans-62.2-29.9-170.822.7-34.8000113.5A2 E8A2-P4 WeakPolarHBondContact O-CD 3.33Å; P4-E8 PolarHBondContact O-N 2.96Å; P4-E8 VanDerWaalsContact O-N 3.13Å
5E89Confident88.2Confident140 Ų14088.9 Ų88.965%0.65442%0.424SS*.Hα-helixtrans-67.3-46.5176.2-6717898.200111N3 L7 E8 E9N3-E5 PolarHBondContact O-N 3.34Å; E5-L7 VanDerWaalsContact C-N 3.32Å; E5-L7 PolarHBondContact O-N 3.17Å; E5-E8 PolarHBondContact O-N 3.37Å; E5-E8 VanDerWaalsContact O-N 3.14Å; E5-E9 WeakPolarHBondContact O-CG 3.31Å; E5-E9 PolarHBondContact O-N 3.5Å
6Q87.6Confident88.7Confident99 Ų9989.6 Ų89.646%0.46343%0.431SS..Hα-helixtrans-64.2-37.4177-69.5174.6-70.600111.8N3 E8 E9 Q10N3-Q6 HydrophobicContact CB-CB 4.24Å; N3-Q6 HydrophobicContact CB-CG 4.21Å; N3-Q6 PolarHBondContact ND2-OE1 2.78Å; N3-Q6 PolarHBondContact O-N 3.14Å; N3-Q6 VanDerWaalsContact O-N 3.13Å; Q6-E8 VanDerWaalsContact C-N 3.31Å; Q6-E8 PolarHBondContact O-N 2.8Å; Q6-E9 PolarHBondContact O-N 2.84Å; Q6-Q10 WeakPolarHBondContact O-CG 3.32Å; Q6-Q10 PolarHBondContact O-N 2.89Å
7L90.9Very high89Confident20 Ų2086.9 Ų86.911%0.10542%0.419CS..Hα-helixtrans-64.4-35.7174.8-73.7175.9000112.6A2 N3 E5 R11 E95 M98A2-L7 HydrophobicContact CB-CD1 3.87Å; A2-L7 HydrophobicContact CB-CD2 4.04Å; A2-L7 HydrophobicContact CB-CG 3.94Å; N3-L7 PolarHBondContact O-N 2.86Å; E5-L7 VanDerWaalsContact C-N 3.32Å; E5-L7 PolarHBondContact O-N 3.17Å; L7-R11 VanDerWaalsContact O-CB 3.29Å; L7-R11 WeakPolarHBondContact O-CB 3.49Å; L7-R11 WeakPolarHBondContact O-CD 3.42Å; L7-R11 WeakPolarHBondContact O-CG 3.33Å; L7-R11 PolarHBondContact O-N 2.81Å; L7-R11 VanDerWaalsContact O-N 3.07Å; L7-E95 HydrophobicContact CD1-CG 4.18Å; L7-E95 HydrophobicContact CD2-CB 4.04Å; L7-E95 HydrophobicContact CD2-CG 4.24Å; L7-M98 HydrophobicContact CD2-SD 3.59Å; L7-M98 VanDerWaalsContact CD2-SD 3.59Å; L7-M98 HydrophobicContact CG-SD 4.31Å
8E92.3Very high89.3Confident128 Ų12883.2 Ų83.260%0.59840%0.401SS*.Hα-helixtrans-69.7-41.3176.7-169.8167.1-167.200111P4 E5 Q6 R11 E12P4-E8 PolarHBondContact O-N 2.96Å; P4-E8 VanDerWaalsContact O-N 3.13Å; E5-E8 PolarHBondContact O-N 3.37Å; E5-E8 VanDerWaalsContact O-N 3.14Å; Q6-E8 VanDerWaalsContact C-N 3.31Å; Q6-E8 PolarHBondContact O-N 2.8Å; E8-R11 WeakPolarHBondContact O-CB 3.45Å; E8-R11 PolarHBondContact O-N 3.29Å; E8-E12 PolarHBondContact O-N 2.92Å
9E91.6Very high89.6Confident126 Ų12684.8 Ų84.859%0.58941%0.408SS*.Hα-helixtrans-61.2-48.8174.5-69.4176.115800111.7E5 Q6 R11 E12 E13E5-E9 WeakPolarHBondContact O-CG 3.31Å; E5-E9 PolarHBondContact O-N 3.5Å; Q6-E9 PolarHBondContact O-N 2.84Å; E9-R11 PolarHBondContact O-N 3.02Å; E9-E12 PolarHBondContact O-N 3.38Å; E9-E13 WeakPolarHBondContact O-CB 3.45Å; E9-E13 PolarHBondContact O-N 2.96Å
10Q92.1Very high89.9Confident31 Ų3187.2 Ų87.215%0.14542%0.418CS..Hα-helixtrans-59.2-37.4175.6-71.9-58.1116.400112.1Q6 E13 T14 V94 M98Q6-Q10 WeakPolarHBondContact O-CG 3.32Å; Q6-Q10 PolarHBondContact O-N 2.89Å; Q10-E13 PolarHBondContact O-N 3.05Å; Q10-T14 WeakPolarHBondContact O-CB 3.1Å; Q10-T14 PolarHBondContact O-N 2.7Å; Q10-T14 PolarHBondContact O-OG1 3.44Å; Q10-V94 HydrophobicContact CB-CG1 3.95Å; Q10-V94 HydrophobicContact CG-CG1 3.88Å; Q10-M98 HydrophobicContact CG-CE 3.44Å; Q10-M98 VanDerWaalsContact CG-CE 3.44Å; Q10-M98 HydrophobicContact CG-SD 4.45Å
11R93.8Very high90.1Very high96 Ų9684.2 Ų84.236%0.36241%0.405SS..Hα-helixtrans-65-42.7178-84.2173.2-178.4-178.97.7111.8L7 E8 E9 R15 D91 E95L7-R11 VanDerWaalsContact O-CB 3.29Å; L7-R11 WeakPolarHBondContact O-CB 3.49Å; L7-R11 WeakPolarHBondContact O-CD 3.42Å; L7-R11 WeakPolarHBondContact O-CG 3.33Å; L7-R11 PolarHBondContact O-N 2.81Å; L7-R11 VanDerWaalsContact O-N 3.07Å; E8-R11 WeakPolarHBondContact O-CB 3.45Å; E8-R11 PolarHBondContact O-N 3.29Å; E9-R11 PolarHBondContact O-N 3.02Å; R11-R15 VanDerWaalsContact C-NH1 3.28Å; R11-R15 VanDerWaalsContact CB-NH1 3.28Å; R11-R15 WeakPolarHBondContact O-CG 2.93Å; R11-R15 PolarHBondContact O-N 2.86Å; R11-R15 PolarHBondContact O-NH1 2.93Å; R11-D91 HydrophobicContact CG-CB 4.26Å; R11-D91 WeakPolarHBondContact CG-OD1 3.48Å; R11-E95 IonicContact NH2-OE2 3.75Å; R11-E95 PolarHBondContact NH2-OE2 2.9Å
12E94.7Very high91.6Very high122 Ų12278.2 Ų78.257%0.5738%0.376SS*.Hα-helixtrans-66.6-45.5176.4-70-173.4109.100110.8E8 E9 T14 R15 L16E8-E12 PolarHBondContact O-N 2.92Å; E9-E12 PolarHBondContact O-N 3.38Å; E12-T14 PolarHBondContact O-N 2.85Å; E12-R15 PolarHBondContact O-N 2.9Å; E12-L16 WeakPolarHBondContact O-CG 3.32Å; E12-L16 PolarHBondContact O-N 3.23Å; E12-L16 VanDerWaalsContact O-N 3.14Å
13E93.6Very high92.6Very high84 Ų8485 Ų8539%0.39341%0.406SS..Hα-helixtrans-58.4-45.8175.8-173.9177.786.800111.7E9 Q10 R15 L16 I17E9-E13 WeakPolarHBondContact O-CB 3.45Å; E9-E13 PolarHBondContact O-N 2.96Å; Q10-E13 PolarHBondContact O-N 3.05Å; E13-R15 VanDerWaalsContact C-N 3.28Å; E13-R15 PolarHBondContact O-N 2.97Å; E13-L16 WeakPolarHBondContact O-CB 3.42Å; E13-L16 PolarHBondContact O-N 3.42Å; E13-L16 VanDerWaalsContact O-N 3.07Å; E13-I17 HydrophobicContact CG-CD1 3.74Å; E13-I17 HydrophobicContact CG-CG1 4.28Å; E13-I17 WeakPolarHBondContact O-CG1 3.32Å; E13-I17 PolarHBondContact O-N 2.69Å
14T95.4Very high93.1Very high0 Ų087.9 Ų87.90%042%0.421CS..Hα-helixtrans-58.2-41.5178.8-64.70000112.6Q10 E12 L16 I18 A87 I90 W111Q10-T14 WeakPolarHBondContact O-CB 3.1Å; Q10-T14 PolarHBondContact O-N 2.7Å; Q10-T14 PolarHBondContact O-OG1 3.44Å; E12-T14 PolarHBondContact O-N 2.85Å; T14-L16 VanDerWaalsContact C-N 3.35Å; T14-I18 HydrophobicContact CG2-CD1 3.78Å; T14-I18 WeakPolarHBondContact O-CB 3.44Å; T14-I18 WeakPolarHBondContact O-CD1 3.2Å; T14-I18 WeakPolarHBondContact O-CG1 3.33Å; T14-I18 PolarHBondContact O-N 2.85Å; T14-I18 VanDerWaalsContact O-N 3.12Å; T14-A87 HydrophobicContact CG2-CB 4.26Å; T14-I90 HydrophobicContact CG2-CB 3.93Å; T14-I90 HydrophobicContact CG2-CG2 3.79Å; T14-W111 HydrophobicContact CG2-CH2 4.43Å; T14-W111 HydrophobicContact CG2-CZ2 3.75Å; T14-W111 WeakPolarHBondContact OG1-CZ2 3.5Å; T14-W111 PolarHBondContact OG1-NE1 3.04Å; T14-W111 VanDerWaalsContact OG1-NE1 3.15Å
15R96.1Very high93.4Very high113 Ų11385.1 Ų85.143%0.42641%0.409SS..Hα-helixtrans-66.9-38.5178.3-71.1168.617870.79111.5R11 E12 E13 E19 A87 D91R11-R15 VanDerWaalsContact C-NH1 3.28Å; R11-R15 VanDerWaalsContact CB-NH1 3.28Å; R11-R15 WeakPolarHBondContact O-CG 2.93Å; R11-R15 PolarHBondContact O-N 2.86Å; R11-R15 PolarHBondContact O-NH1 2.93Å; E12-R15 PolarHBondContact O-N 2.9Å; E13-R15 VanDerWaalsContact C-N 3.28Å; E13-R15 PolarHBondContact O-N 2.97Å; R15-E19 WeakPolarHBondContact O-CB 3.25Å; R15-E19 PolarHBondContact O-N 3.35Å; R15-A87 HydrophobicContact CG-CB 4.2Å; R15-D91 IonicContact CZ-OD2 3.13Å; R15-D91 IonicContact NH1-OD1 3.05Å; R15-D91 IonicContact NH1-OD2 3.17Å; R15-D91 PolarHBondContact NH1-OD2 2.84Å; R15-D91 IonicContact NH2-OD2 3.5Å; R15-D91 PolarHBondContact NH2-OD2 2.69Å
16L95.5Very high93.5Very high101 Ų10178.6 Ų78.653%0.52938%0.38SS..Hα-helixtrans-66.5-48.6177.4-69.2170.4000111.6E12 E13 T14 I18 E19 E20E12-L16 WeakPolarHBondContact O-CG 3.32Å; E12-L16 PolarHBondContact O-N 3.23Å; E12-L16 VanDerWaalsContact O-N 3.14Å; E13-L16 WeakPolarHBondContact O-CB 3.42Å; E13-L16 PolarHBondContact O-N 3.42Å; E13-L16 VanDerWaalsContact O-N 3.07Å; T14-L16 VanDerWaalsContact C-N 3.35Å; L16-I18 VanDerWaalsContact C-N 3.33Å; L16-I18 PolarHBondContact O-N 3.4Å; L16-E19 PolarHBondContact O-N 2.95Å; L16-E19 VanDerWaalsContact O-N 3.17Å; L16-E20 WeakPolarHBondContact O-CG 3.39Å; L16-E20 PolarHBondContact O-N 3.4Å
17I94.3Very high93.7Very high44 Ų4476.1 Ų76.123%0.22637%0.37CS..Hα-helixtrans-59.5-45.1179.5-67.2170.7000110.9E13 E20 L21 W111E13-I17 HydrophobicContact CG-CD1 3.74Å; E13-I17 HydrophobicContact CG-CG1 4.28Å; E13-I17 WeakPolarHBondContact O-CG1 3.32Å; E13-I17 PolarHBondContact O-N 2.69Å; I17-E20 PolarHBondContact O-N 3.32Å; I17-L21 HydrophobicContact CG2-CD1 3.98Å; I17-L21 HydrophobicContact CG2-CG 4.5Å; I17-L21 WeakPolarHBondContact O-CB 3.34Å; I17-L21 WeakPolarHBondContact O-CG 3.34Å; I17-L21 PolarHBondContact O-N 2.83Å; I17-W111 HydrophobicContact CD1-CZ2 4.2Å; I17-W111 HydrophobicContact CG2-CH2 4.21Å
18I94.8Very high93.7Very high19 Ų1979 Ų7910%0.09739%0.389CS..Hα-helixtrans-63.1-43.5177.5-66.6170.6000111T14 L16 L21 L22 L85 A87 I90T14-I18 HydrophobicContact CG2-CD1 3.78Å; T14-I18 WeakPolarHBondContact O-CB 3.44Å; T14-I18 WeakPolarHBondContact O-CD1 3.2Å; T14-I18 WeakPolarHBondContact O-CG1 3.33Å; T14-I18 PolarHBondContact O-N 2.85Å; T14-I18 VanDerWaalsContact O-N 3.12Å; L16-I18 VanDerWaalsContact C-N 3.33Å; L16-I18 PolarHBondContact O-N 3.4Å; I18-L21 PolarHBondContact O-N 3.4Å; I18-L22 HydrophobicContact CG2-CD1 3.92Å; I18-L22 HydrophobicContact CG2-CG 4.41Å; I18-L22 WeakPolarHBondContact O-CB 3.24Å; I18-L22 VanDerWaalsContact O-CG 3.26Å; I18-L22 WeakPolarHBondContact O-CG 3.27Å; I18-L22 PolarHBondContact O-N 2.68Å; I18-L85 HydrophobicContact CB-CD2 4.49Å; I18-L85 HydrophobicContact CB-CG 4.34Å; I18-L85 HydrophobicContact CG1-CD1 3.92Å; I18-L85 HydrophobicContact CG1-CG 3.9Å; I18-L85 HydrophobicContact CG2-CD2 3.94Å; I18-L85 HydrophobicContact CG2-CG 3.89Å; I18-A87 HydrophobicContact CD1-CB 3.85Å; I18-I90 HydrophobicContact CD1-CD1 4.11Å
19E94.9Very high93.6Very high115 Ų11580 Ų8054%0.53740%0.399SS..Hα-helixtrans-60.5-46.4176.6-174.5171100.600110.9R15 L16 L22 E23R15-E19 WeakPolarHBondContact O-CB 3.25Å; R15-E19 PolarHBondContact O-N 3.35Å; L16-E19 PolarHBondContact O-N 2.95Å; L16-E19 VanDerWaalsContact O-N 3.17Å; E19-L22 PolarHBondContact O-N 2.64Å; E19-E23 HydrophobicContact CG-CG 4.46Å; E19-E23 WeakPolarHBondContact O-CB 3.35Å; E19-E23 VanDerWaalsContact O-CG 3.32Å; E19-E23 WeakPolarHBondContact O-CG 3.39Å; E19-E23 PolarHBondContact O-N 3.12Å
20E95Very high93.6Very high131 Ų13174.9 Ų74.961%0.61238%0.378SS*.Hα-helixtrans-62.3-44.5178.4-72.1-175.6144.200112.4L16 I17 L22 E23 D24L16-E20 WeakPolarHBondContact O-CG 3.39Å; L16-E20 PolarHBondContact O-N 3.4Å; I17-E20 PolarHBondContact O-N 3.32Å; E20-L22 PolarHBondContact O-N 3.26Å; E20-E23 PolarHBondContact O-N 2.67Å; E20-D24 WeakPolarHBondContact O-CB 3.42Å; E20-D24 PolarHBondContact O-N 3.26Å
21L94.7Very high93.6Very high25 Ų2578 Ų7813%0.13140%0.395CS..Hα-helixtrans-61.1-44.8176.8-77.5168.8000111.9I17 I18 D24 G25 S26 L85 T113 F115I17-L21 HydrophobicContact CG2-CD1 3.98Å; I17-L21 HydrophobicContact CG2-CG 4.5Å; I17-L21 WeakPolarHBondContact O-CB 3.34Å; I17-L21 WeakPolarHBondContact O-CG 3.34Å; I17-L21 PolarHBondContact O-N 2.83Å; I18-L21 PolarHBondContact O-N 3.4Å; L21-D24 PolarHBondContact O-N 2.98Å; L21-G25 PolarHBondContact O-N 2.79Å; L21-S26 WeakPolarHBondContact O-CB 3.24Å; L21-S26 PolarHBondContact O-N 3.4Å; L21-L85 HydrophobicContact CB-CD2 4.19Å; L21-L85 HydrophobicContact CD1-CD1 4.07Å; L21-L85 HydrophobicContact CD1-CD2 4.3Å; L21-T113 HydrophobicContact CD1-CG2 3.57Å; L21-F115 HydrophobicContact CD2-CB 4.14Å; L21-F115 HydrophobicContact CD2-CD2 4.16Å
22L93.4Very high93.7Very high75 Ų7573.4 Ų73.439%0.39338%0.378SS..Hα-helixtrans-70.1-34.1178.7-67.1177.9000112.1I18 E19 E20 G25 P28 L85I18-L22 HydrophobicContact CG2-CD1 3.92Å; I18-L22 HydrophobicContact CG2-CG 4.41Å; I18-L22 WeakPolarHBondContact O-CB 3.24Å; I18-L22 VanDerWaalsContact O-CG 3.26Å; I18-L22 WeakPolarHBondContact O-CG 3.27Å; I18-L22 PolarHBondContact O-N 2.68Å; E19-L22 PolarHBondContact O-N 2.64Å; E20-L22 PolarHBondContact O-N 3.26Å; L22-G25 PolarHBondContact O-N 3.13Å; L22-P28 HydrophobicContact CD2-CB 3.78Å; L22-L85 HydrophobicContact CD2-CD2 4Å; L22-L85 HydrophobicContact CG-CD2 4.04Å
23E94Very high93.7Very high155 Ų15570 Ų7072%0.72437%0.365SS*.Hα-helixtrans-67.9-36174.1-78.3-167.6170.500112.6E19 E20 G25E19-E23 HydrophobicContact CG-CG 4.46Å; E19-E23 WeakPolarHBondContact O-CB 3.35Å; E19-E23 VanDerWaalsContact O-CG 3.32Å; E19-E23 WeakPolarHBondContact O-CG 3.39Å; E19-E23 PolarHBondContact O-N 3.12Å; E20-E23 PolarHBondContact O-N 2.67Å; E23-G25 PolarHBondContact O-N 3.5Å
24D93.7Very high93.9Very high128 Ų12866 Ų6668%0.68435%0.347SS*.Hα-helixtrans-73.6-9.4174.1-152.754.1000112.5E20 L21 F115E20-D24 WeakPolarHBondContact O-CB 3.42Å; E20-D24 PolarHBondContact O-N 3.26Å; L21-D24 PolarHBondContact O-N 2.98Å; D24-F115 HydrophobicContact CB-CE2 4.1Å
25G93.1Very high93.9Very high35 Ų3567.7 Ų67.736%0.36135%0.354SS..THydrogen-bonded Turntrans96.724.2172.400000114.3L21 L22 E23 P118L21-G25 PolarHBondContact O-N 2.79Å; L22-G25 PolarHBondContact O-N 3.13Å; E23-G25 PolarHBondContact O-N 3.5Å; G25-P118 WeakPolarHBondContact O-CD 3.18Å; G25-P118 VanDerWaalsContact O-CG 3.29Å; G25-P118 WeakPolarHBondContact O-CG 3.47Å
26S92.6Very high94Very high4 Ų462.3 Ų62.33%0.02833%0.334CS..  trans-63.9151174.5-156.90000111.2L21 P28 Y32 F115 E116L21-S26 WeakPolarHBondContact O-CB 3.24Å; L21-S26 PolarHBondContact O-N 3.4Å; S26-P28 WeakPolarHBondContact O-CD 3.14Å; S26-Y32 WeakPolarHBondContact CB-OH 3.31Å; S26-Y32 PolarHBondContact OG-OH 3.17Å; S26-F115 VanDerWaalsContact CA-CE2 3.44Å; S26-F115 VanDerWaalsContact CB-CE2 3.49Å; S26-E116 CarbonylContact C-O 3.52Å; S26-E116 WeakPolarHBondContact CA-O 3.3Å; S26-E116 PolarHBondContact OG-N 2.84Å; S26-E116 PolarHBondContact OG-O 2.98Å
27D91.7Very high94Very high47 Ų4760.8 Ų60.825%0.25132%0.324SS..  trans-72.4108.4-175-169.9-15.2000112.6D29 A30 Y32 E116 P118D27-D29 PolarHBondContact O-N 3.06Å; D27-D29 VanDerWaalsContact O-N 3.13Å; D27-D29 PolarHBondContact OD1-N 2.93Å; D27-A30 HydrophobicContact CB-CB 3.78Å; D27-A30 WeakPolarHBondContact O-CB 3.47Å; D27-A30 PolarHBondContact O-N 2.94Å; D27-A30 VanDerWaalsContact O-N 3.14Å; D27-Y32 PolarHBondContact N-OH 3.39Å; D27-Y32 WeakPolarHBondContact O-CE2 3.4Å; D27-Y32 PolarHBondContact O-OH 3.08Å; D27-E116 HydrophobicContact CB-CB 4.38Å; D27-E116 PolarHBondContact N-O 2.96Å; D27-P118 HydrophobicContact CB-CB 3.85Å
28P90.4Very high94.1Very high79 Ų7958.7 Ų58.751%0.51331%0.313SS..THydrogen-bonded Turntrans-65.8-17.3-179.529.7-36.9000114.2L22 S26L22-P28 HydrophobicContact CD2-CB 3.78Å; S26-P28 WeakPolarHBondContact O-CD 3.14Å
29D89.9Confident94.1Very high151 Ų15158.3 Ų58.381%0.80731%0.313SS*.THydrogen-bonded Turntrans-99.3-2.7-179.4-69.8-66.4000112.3D27D27-D29 PolarHBondContact O-N 3.06Å; D27-D29 VanDerWaalsContact O-N 3.13Å; D27-D29 PolarHBondContact OD1-N 2.93Å
30A91.6Very high94.1Very high18 Ų1853.1 Ų53.115%0.14929%0.29CS..SBendtrans-71.3160175.400000112.6D27 Y32 E116D27-A30 HydrophobicContact CB-CB 3.78Å; D27-A30 WeakPolarHBondContact O-CB 3.47Å; D27-A30 PolarHBondContact O-N 2.94Å; D27-A30 VanDerWaalsContact O-N 3.14Å; A30-Y32 HydrophobicContact CB-CD2 4.38Å; A30-Y32 HydrophobicContact CB-CE2 3.98Å; A30-E116 HydrophobicContact CB-CB 3.83Å; A30-E116 HydrophobicContact CB-CG 3.87Å
31L93.2Very high94Very high96 Ų9654 Ų5450%0.50330%0.298SS..EExtended strand (participates in β ladder)trans-94.7109.6172.4-171.569000108E82L31-E82 HydrophobicContact CD1-CB 4.28Å; L31-E82 HydrophobicContact CD2-CB 3.81Å; L31-E82 HydrophobicContact CD2-CG 4.37Å; L31-E82 HydrophobicContact CG-CB 3.91Å
32Y94.5Very high93.9Very high0 Ų056.1 Ų56.10%031%0.31CS..EExtended strand (participates in β ladder)trans-87.1137.5-176.8-73.9-104.6000110.2S26 D27 A30 I34 E82 C83 L85 T113 Y114 E116S26-Y32 WeakPolarHBondContact CB-OH 3.31Å; S26-Y32 PolarHBondContact OG-OH 3.17Å; D27-Y32 PolarHBondContact N-OH 3.39Å; D27-Y32 WeakPolarHBondContact O-CE2 3.4Å; D27-Y32 PolarHBondContact O-OH 3.08Å; A30-Y32 HydrophobicContact CB-CD2 4.38Å; A30-Y32 HydrophobicContact CB-CE2 3.98Å; Y32-I34 PolarHBondContact O-N 3.07Å; Y32-E82 WeakPolarHBondContact O-CA 3.28Å; Y32-C83 PolarHBondContact N-O 2.85Å; Y32-C83 PolarHBondContact O-N 2.88Å; Y32-L85 HydrophobicContact CD1-CD1 4.02Å; Y32-L85 HydrophobicContact CD2-CB 3.66Å; Y32-L85 HydrophobicContact CD2-CD1 4.39Å; Y32-L85 HydrophobicContact CD2-CG 4.48Å; Y32-L85 HydrophobicContact CE1-CD1 4.18Å; Y32-L85 HydrophobicContact CE1-CD2 4.22Å; Y32-L85 HydrophobicContact CE2-CB 3.6Å; Y32-L85 HydrophobicContact CE2-CD2 4.19Å; Y32-L85 HydrophobicContact CE2-CG 4.31Å; Y32-L85 HydrophobicContact CG-CB 4.22Å; Y32-L85 HydrophobicContact CG-CD1 4.11Å; Y32-T113 HydrophobicContact CD1-CG2 4.25Å; Y32-Y114 WeakPolarHBondContact CD1-O 3.45Å; Y32-Y114 WeakPolarHBondContact CE1-O 3.43Å; Y32-E116 HydrophobicContact CD1-CG 3.71Å; Y32-E116 HydrophobicContact CD2-CG 4.3Å; Y32-E116 HydrophobicContact CE1-CB 3.92Å; Y32-E116 HydrophobicContact CE1-CG 3.49Å; Y32-E116 VanDerWaalsContact CE1-CG 3.49Å; Y32-E116 HydrophobicContact CE2-CB 4.44Å; Y32-E116 HydrophobicContact CE2-CG 4.11Å; Y32-E116 HydrophobicContact CG-CG 4.13Å
33T95.9Very high94Very high50 Ų5056 Ų5631%0.30731%0.309SS..EExtended strand (participates in β ladder)trans-80.7112.9165.2-61.80000108.3L80 T113T33-L80 HydrophobicContact CG2-CD2 3.86Å; T33-T113 WeakPolarHBondContact O-CB 3.22Å; T33-T113 PolarHBondContact O-OG1 2.85Å
34I96.6Very high94Very high0 Ų054.5 Ų54.50%030%0.302CS..EExtended strand (participates in β ladder)trans-92.7121.1173.4-50-52.9000107.8Y32 H36 L80 S81 C83 I90 W111Y32-I34 PolarHBondContact O-N 3.07Å; I34-H36 WeakPolarHBondContact CG2-NE2 3.46Å; I34-L80 CarbonylContact O-C 3.43Å; I34-L80 WeakPolarHBondContact O-CA 3.38Å; I34-S81 WeakPolarHBondContact CB-O 3.48Å; I34-S81 PolarHBondContact N-O 3.3Å; I34-S81 PolarHBondContact O-N 3Å; I34-C83 WeakPolarHBondContact CG1-SG 3.48Å; I34-I90 HydrophobicContact CD1-CD1 3.78Å; I34-I90 HydrophobicContact CD1-CG1 4.16Å; I34-I90 HydrophobicContact CG1-CD1 4.42Å; I34-I90 HydrophobicContact CG1-CG1 4.25Å; I34-W111 HydrophobicContact CD1-CZ3 4.12Å; I34-W111 HydrophobicContact CG2-CD2 4.45Å; I34-W111 HydrophobicContact CG2-CE3 3.66Å; I34-W111 HydrophobicContact CG2-CZ3 4.2Å
35E97Very high94Very high35 Ų3549.4 Ų49.416%0.16428%0.276CS..EExtended strand (participates in β ladder)trans-111.6119.9-177.7-177.3176.474.200109.9H37 D78 L80 W111 G112E35-H37 IonicContact OE1-CE1 3.52Å; E35-H37 PolarHBondContact OE1-CE1 2.78Å; E35-H37 IonicContact OE1-NE2 2.84Å; E35-D78 HydrophobicContact CG-CB 3.96Å; E35-L80 HydrophobicContact CB-CD2 3.69Å; E35-L80 HydrophobicContact CG-CD2 3.67Å; E35-W111 CarbonylContact O-C 3.55Å; E35-W111 WeakPolarHBondContact O-CA 3.21Å; E35-G112 PolarHBondContact N-O 3.3Å; E35-G112 PolarHBondContact O-N 3.12Å
36H96.9Very high94.1Very high0 Ų047.8 Ų47.80%026%0.259CS..EExtended strand (participates in β ladder)trans-109.8128.3176.8-58.4-96.1000110.1I34 D78 I79 L97 Y108 G110 W111I34-H36 WeakPolarHBondContact CG2-NE2 3.46Å; H36-D78 CarbonylContact O-C 3.49Å; H36-D78 WeakPolarHBondContact O-CA 3.39Å; H36-I79 HydrophobicContact CB-CB 4.22Å; H36-I79 PolarHBondContact CD2-O 3.1Å; H36-I79 PolarHBondContact N-O 3.35Å; H36-I79 PolarHBondContact O-N 3.22Å; H36-L97 HydrophobicContact CB-CD1 3.51Å; H36-L97 WeakPolarHBondContact CD2-CD1 3.26Å; H36-Y108 HydrophobicContact CB-CE2 4.04Å; H36-Y108 AromaticContact ND1-CE2 3.82Å; H36-Y108 AromaticContact ND1-CZ 3.81Å; H36-Y108 PolarHBondContact ND1-OH 3.49Å; H36-G110 WeakPolarHBondContact CA-O 3.32Å; H36-W111 WeakPolarHBondContact ND1-CB 3.19Å
37H96Very high94.2Very high69 Ų6952.3 Ų52.332%0.31928%0.279SS..EExtended strand (participates in β ladder)trans-95.7128.8-179-68.271.5000110.2E35 D78 D109 G110E35-H37 IonicContact OE1-CE1 3.52Å; E35-H37 PolarHBondContact OE1-CE1 2.78Å; E35-H37 IonicContact OE1-NE2 2.84Å; H37-D78 IonicContact CD2-OD1 3.42Å; H37-D78 PolarHBondContact CD2-OD1 3.32Å; H37-D78 IonicContact CG-OD1 2.97Å; H37-D78 IonicContact NE2-OD1 3.88Å; H37-D78 PolarHBondContact NE2-OD1 2.81Å; H37-D109 HydrophobicContact CB-CB 3.97Å; H37-D109 PolarHBondContact O-N 3.36Å; H37-G110 PolarHBondContact N-O 3.35Å
38L95.9Very high94.4Very high0 Ų054.4 Ų54.40%029%0.286CS..EExtended strand (participates in β ladder)trans-118.3140.4171.5-61.8-179.4000109.5L46 A49 C76 C77 I79 A101 E107 Y108L38-L46 HydrophobicContact CB-CD1 4.03Å; L38-A49 HydrophobicContact CD1-CB 4.47Å; L38-C76 CarbonylContact O-C 3.58Å; L38-C76 WeakPolarHBondContact O-CA 3.39Å; L38-C77 PolarHBondContact N-O 2.88Å; L38-C77 PolarHBondContact O-N 3.45Å; L38-I79 HydrophobicContact CD1-CD1 4.09Å; L38-I79 HydrophobicContact CD1-CG1 3.66Å; L38-I79 HydrophobicContact CG-CG1 4.05Å; L38-A101 HydrophobicContact CD2-CB 4.37Å; L38-E107 WeakPolarHBondContact CA-O 3.19Å; L38-Y108 HydrophobicContact CD2-CD2 3.65Å; L38-Y108 HydrophobicContact CD2-CG 4.33Å
39S94.9Very high94.6Very high12 Ų1250.6 Ų50.68%0.08426%0.262CS..EExtended strand (participates in β ladder)trans-129.7153.7173.360.30000112.3I75 E107 D109S39-I75 CarbonylContact C-O 3.58Å; S39-I75 VanDerWaalsContact CA-O 3.24Å; S39-I75 WeakPolarHBondContact CA-O 3.38Å; S39-E107 PolarHBondContact N-O 2.93Å; S39-E107 PolarHBondContact O-N 2.86Å; S39-D109 WeakPolarHBondContact CB-OD2 3.36Å; S39-D109 PolarHBondContact N-OD2 3.48Å; S39-D109 VanDerWaalsContact N-OD2 3.12Å; S39-D109 PolarHBondContact OG-OD1 3.06Å; S39-D109 PolarHBondContact OG-OD2 2.93Å
40A95.4Very high94.9Very high6 Ų644.1 Ų44.15%0.0523%0.229CC..EExtended strand (participates in β ladder)trans-149.1158.7176.500000111.5D42 L46 I75 V106A40-D42 VanDerWaalsContact C-N 3.25Å; A40-D42 PolarHBondContact O-N 2.87Å; A40-L46 HydrophobicContact CB-CB 3.93Å; A40-L46 HydrophobicContact CB-CD1 4.24Å; A40-I75 PolarHBondContact N-O 2.9Å; A40-I75 PolarHBondContact O-N 2.88Å; A40-V106 HydrophobicContact CB-CB 4.31Å; A40-V106 HydrophobicContact CB-CG1 3.9Å
41D92.6Very high95.1Very high149 Ų14947 Ų4780%0.79724%0.244SC*.SBendtrans-69.9-22.3173.1-64-64000112.9
42D93.1Very high95.3Very high70 Ų7044.7 Ų44.737%0.37423%0.231SC..SBendtrans-145.4149.7-176.382.7-102.4000113.8A40 E44 T45 L46A40-D42 VanDerWaalsContact C-N 3.25Å; A40-D42 PolarHBondContact O-N 2.87Å; D42-E44 VanDerWaalsContact C-N 3.33Å; D42-E44 PolarHBondContact O-N 3.23Å; D42-E44 WeakPolarHBondContact OD2-CA 3.4Å; D42-E44 WeakPolarHBondContact OD2-CB 3.42Å; D42-E44 PolarHBondContact OD2-N 2.98Å; D42-T45 PolarHBondContact O-N 3.34Å; D42-T45 WeakPolarHBondContact OD1-CB 3.39Å; D42-T45 PolarHBondContact OD1-OG1 2.67Å; D42-T45 PolarHBondContact OD2-N 2.88Å; D42-T45 PolarHBondContact OD2-OG1 2.8Å; D42-T45 VanDerWaalsContact OD2-OG1 3.05Å; D42-L46 PolarHBondContact O-N 3.15Å
43L94.1Very high95.3Very high72 Ų7244.7 Ų44.738%0.37723%0.231SC..Hα-helixtrans-66.4-35.6-173.8-17762.9000111.9T45 L46 E47 P63 I75L43-T45 VanDerWaalsContact C-N 3.28Å; L43-T45 PolarHBondContact O-N 2.85Å; L43-L46 PolarHBondContact O-N 2.93Å; L43-E47 HydrophobicContact CD1-CG 3.99Å; L43-E47 HydrophobicContact CG-CG 4.03Å; L43-E47 VanDerWaalsContact O-CB 3.27Å; L43-E47 WeakPolarHBondContact O-CB 3.37Å; L43-E47 VanDerWaalsContact O-CG 3.24Å; L43-E47 WeakPolarHBondContact O-CG 3.47Å; L43-E47 PolarHBondContact O-N 3.17Å; L43-P63 HydrophobicContact CD1-CB 3.7Å; L43-P63 HydrophobicContact CD1-CG 3.51Å; L43-I75 HydrophobicContact CB-CD1 3.73Å; L43-I75 HydrophobicContact CD1-CG2 4.14Å; L43-I75 VanDerWaalsContact N-CD1 3.33Å
44E94.5Very high95.3Very high124 Ų12449 Ų4958%0.57925%0.246SC*.Hα-helixtrans-67-36.1-175.5-167.1-168.3100.700110.9D42 K48D42-E44 VanDerWaalsContact C-N 3.33Å; D42-E44 PolarHBondContact O-N 3.23Å; D42-E44 WeakPolarHBondContact OD2-CA 3.4Å; D42-E44 WeakPolarHBondContact OD2-CB 3.42Å; D42-E44 PolarHBondContact OD2-N 2.98Å; E44-K48 WeakPolarHBondContact O-CD 3.41Å; E44-K48 VanDerWaalsContact O-CG 3.25Å; E44-K48 WeakPolarHBondContact O-CG 3.34Å; E44-K48 PolarHBondContact O-N 3.4Å; E44-K48 IonicContact OE1-NZ 2.68Å; E44-K48 PolarHBondContact OE1-NZ 3.13Å
45T94Very high95.3Very high21 Ų2155.6 Ų55.613%0.12928%0.275CS..Hα-helixtrans-71.7-46.9177.8-58.10000110.6D42 L43 K48 A49 F104 D105 V106D42-T45 PolarHBondContact O-N 3.34Å; D42-T45 WeakPolarHBondContact OD1-CB 3.39Å; D42-T45 PolarHBondContact OD1-OG1 2.67Å; D42-T45 PolarHBondContact OD2-N 2.88Å; D42-T45 PolarHBondContact OD2-OG1 2.8Å; D42-T45 VanDerWaalsContact OD2-OG1 3.05Å; L43-T45 VanDerWaalsContact C-N 3.28Å; L43-T45 PolarHBondContact O-N 2.85Å; T45-K48 PolarHBondContact O-N 2.76Å; T45-A49 PolarHBondContact O-N 3.18Å; T45-F104 WeakPolarHBondContact CG2-O 3.45Å; T45-D105 HydrophobicContact CG2-CB 4.43Å; T45-V106 HydrophobicContact CG2-CG1 3.66Å
46L95.5Very high95.2Very high1 Ų157.8 Ų57.81%0.00529%0.287CS..Hα-helixtrans-61.1-46.6175.3-168.268.1000112.5L38 A40 D42 L43 K48 A49 A50 P63 I75 C77L38-L46 HydrophobicContact CB-CD1 4.03Å; A40-L46 HydrophobicContact CB-CB 3.93Å; A40-L46 HydrophobicContact CB-CD1 4.24Å; D42-L46 PolarHBondContact O-N 3.15Å; L43-L46 PolarHBondContact O-N 2.93Å; L46-K48 VanDerWaalsContact C-N 3.26Å; L46-K48 PolarHBondContact O-N 3.05Å; L46-A49 WeakPolarHBondContact O-CB 3.4Å; L46-A49 PolarHBondContact O-N 2.79Å; L46-A49 VanDerWaalsContact O-N 3.07Å; L46-A50 WeakPolarHBondContact O-CB 3.4Å; L46-A50 PolarHBondContact O-N 3.24Å; L46-P63 HydrophobicContact CD2-CB 3.91Å; L46-I75 HydrophobicContact CD2-CB 4.05Å; L46-I75 HydrophobicContact CD2-CG2 3.46Å; L46-I75 VanDerWaalsContact CD2-CG2 3.46Å; L46-C77 HydrophobicContact CD2-CB 4.01Å; L46-C77 HydrophobicContact CG-CB 4.38Å
47E95Very high95.1Very high98 Ų9860.8 Ų60.846%0.45832%0.318SS..Hα-helixtrans-58.9-36.6179.2-80.1-177.8158.800112.3L43 V51L43-E47 HydrophobicContact CD1-CG 3.99Å; L43-E47 HydrophobicContact CG-CG 4.03Å; L43-E47 VanDerWaalsContact O-CB 3.27Å; L43-E47 WeakPolarHBondContact O-CB 3.37Å; L43-E47 VanDerWaalsContact O-CG 3.24Å; L43-E47 WeakPolarHBondContact O-CG 3.47Å; L43-E47 PolarHBondContact O-N 3.17Å; E47-V51 VanDerWaalsContact O-CB 3.31Å; E47-V51 WeakPolarHBondContact O-CB 3.49Å; E47-V51 WeakPolarHBondContact O-CG2 3.33Å; E47-V51 PolarHBondContact O-N 2.84Å
48K95.5Very high95.1Very high91 Ų9158.2 Ų58.240%0.39631%0.305SS..Hα-helixtrans-66.3-41.4176.4-72.3164.6-168.3148.90111.6E44 T45 L46 E52 F104E44-K48 WeakPolarHBondContact O-CD 3.41Å; E44-K48 VanDerWaalsContact O-CG 3.25Å; E44-K48 WeakPolarHBondContact O-CG 3.34Å; E44-K48 PolarHBondContact O-N 3.4Å; E44-K48 IonicContact OE1-NZ 2.68Å; E44-K48 PolarHBondContact OE1-NZ 3.13Å; T45-K48 PolarHBondContact O-N 2.76Å; L46-K48 VanDerWaalsContact C-N 3.26Å; L46-K48 PolarHBondContact O-N 3.05Å; K48-E52 PolarHBondContact O-N 3.1Å; K48-E52 VanDerWaalsContact O-N 3.15Å; K48-F104 HydrophobicContact CB-CD1 3.59Å; K48-F104 HydrophobicContact CB-CE1 3.75Å; K48-F104 HydrophobicContact CB-CG 4.35Å; K48-F104 HydrophobicContact CD-CD1 4.44Å
49A95.5Very high95.1Very high0 Ų063.9 Ų63.90%033%0.332CS..Hα-helixtrans-64.6-50.8176.200000110.7L38 T45 L46 V51 E52 A53 L100 F104 V106L38-A49 HydrophobicContact CD1-CB 4.47Å; T45-A49 PolarHBondContact O-N 3.18Å; L46-A49 WeakPolarHBondContact O-CB 3.4Å; L46-A49 PolarHBondContact O-N 2.79Å; L46-A49 VanDerWaalsContact O-N 3.07Å; A49-V51 PolarHBondContact O-N 3.29Å; A49-E52 PolarHBondContact O-N 3.1Å; A49-E52 VanDerWaalsContact O-N 3.08Å; A49-A53 PolarHBondContact O-N 3.11Å; A49-L100 HydrophobicContact CB-CD2 3.58Å; A49-F104 HydrophobicContact CB-CB 4.05Å; A49-F104 HydrophobicContact CB-CD2 4.15Å; A49-F104 HydrophobicContact CB-CG 4.26Å; A49-V106 HydrophobicContact CB-CG1 3.94Å; A49-V106 HydrophobicContact CB-CG2 3.76Å
50A95.3Very high95.2Very high15 Ų1565.4 Ų65.412%0.12434%0.341CS..Hα-helixtrans-52.8-49.4174.800000112.4L46 E52 A53 F54 V60L46-A50 WeakPolarHBondContact O-CB 3.4Å; L46-A50 PolarHBondContact O-N 3.24Å; A50-E52 VanDerWaalsContact C-N 3.29Å; A50-E52 PolarHBondContact O-N 2.91Å; A50-A53 PolarHBondContact O-N 2.8Å; A50-F54 WeakPolarHBondContact O-CB 3.45Å; A50-F54 PolarHBondContact O-N 3.45Å; A50-V60 HydrophobicContact CB-CG1 3.68Å
51V96.1Very high95.2Very high77 Ų7767.2 Ų67.247%0.46735%0.351SS..Hα-helixtrans-63.5-34.7178.7167.20000112.1E47 A49 K55E47-V51 VanDerWaalsContact O-CB 3.31Å; E47-V51 WeakPolarHBondContact O-CB 3.49Å; E47-V51 WeakPolarHBondContact O-CG2 3.33Å; E47-V51 PolarHBondContact O-N 2.84Å; A49-V51 PolarHBondContact O-N 3.29Å; V51-K55 VanDerWaalsContact O-CG 3.3Å; V51-K55 WeakPolarHBondContact O-CG 3.32Å; V51-K55 PolarHBondContact O-N 2.9Å
52E96.1Very high95.3Very high48 Ų4866.9 Ų66.922%0.22435%0.349CS..Hα-helixtrans-72.2-41.5175.4-170.284.7147.200111.5K48 A49 A50 F54 K55 L56 L100 K103 F104K48-E52 PolarHBondContact O-N 3.1Å; K48-E52 VanDerWaalsContact O-N 3.15Å; A49-E52 PolarHBondContact O-N 3.1Å; A49-E52 VanDerWaalsContact O-N 3.08Å; A50-E52 VanDerWaalsContact C-N 3.29Å; A50-E52 PolarHBondContact O-N 2.91Å; E52-F54 VanDerWaalsContact C-N 3.34Å; E52-F54 PolarHBondContact O-N 3.07Å; E52-K55 WeakPolarHBondContact O-CB 3.14Å; E52-K55 PolarHBondContact O-N 2.95Å; E52-K55 VanDerWaalsContact O-N 3.15Å; E52-K55 IonicContact OE2-NZ 2.99Å; E52-L56 WeakPolarHBondContact O-CG 3.28Å; E52-L56 PolarHBondContact O-N 3.47Å; E52-L56 VanDerWaalsContact O-N 3.07Å; E52-L100 HydrophobicContact CB-CD1 3.82Å; E52-L100 HydrophobicContact CB-CG 4.46Å; E52-L100 HydrophobicContact CG-CD1 3.74Å; E52-L100 HydrophobicContact CG-CG 4.44Å; E52-K103 IonicContact OE1-NZ 3.76Å; E52-K103 PolarHBondContact OE1-NZ 3.42Å; E52-F104 HydrophobicContact CB-CE2 3.62Å; E52-F104 HydrophobicContact CB-CZ 3.9Å; E52-F104 HydrophobicContact CG-CE2 3.87Å; E52-F104 HydrophobicContact CG-CZ 4.21Å
53A96.2Very high95.4Very high0 Ų066.1 Ų66.10%035%0.348CS..Hα-helixtrans-59.2-45.4174.200000111.1A49 A50 K55 L56 G57 Y58 V60 I79 L97 L100A49-A53 PolarHBondContact O-N 3.11Å; A50-A53 PolarHBondContact O-N 2.8Å; A53-K55 VanDerWaalsContact C-N 3.28Å; A53-K55 PolarHBondContact O-N 3.25Å; A53-L56 WeakPolarHBondContact O-CA 3.34Å; A53-L56 WeakPolarHBondContact O-CB 3.36Å; A53-L56 PolarHBondContact O-N 3.3Å; A53-G57 PolarHBondContact O-N 2.95Å; A53-Y58 HydrophobicContact CB-CD2 4.41Å; A53-Y58 WeakPolarHBondContact O-CD2 3.41Å; A53-Y58 PolarHBondContact O-N 3.15Å; A53-V60 HydrophobicContact CB-CG2 4.29Å; A53-I79 HydrophobicContact CB-CD1 3.82Å; A53-I79 HydrophobicContact CB-CG1 4.34Å; A53-I79 HydrophobicContact CB-CG2 3.91Å; A53-L97 HydrophobicContact CB-CD2 4.31Å; A53-L100 HydrophobicContact CB-CD1 4.25Å
54F95.7Very high95.4Very high140 Ų14069 Ų6961%0.61436%0.36SS*.Hα-helixtrans-56.6-40.7174.4-176.5-101.1000112.8A50 E52 L56 G57 Y58 V60A50-F54 WeakPolarHBondContact O-CB 3.45Å; A50-F54 PolarHBondContact O-N 3.45Å; E52-F54 VanDerWaalsContact C-N 3.34Å; E52-F54 PolarHBondContact O-N 3.07Å; F54-L56 VanDerWaalsContact C-N 3.28Å; F54-L56 PolarHBondContact O-N 3.27Å; F54-G57 PolarHBondContact O-N 3.4Å; F54-G57 VanDerWaalsContact O-N 3.15Å; F54-Y58 WeakPolarHBondContact CA-O 3.4Å; F54-V60 HydrophobicContact CB-CG2 4.07Å
55K96Very high95.3Very high140 Ų14070.5 Ų70.561%0.60937%0.367SS*.Hα-helixtrans-68.8-25.8175.8-70.7170.9-162.4156.50113.6V51 E52 A53V51-K55 VanDerWaalsContact O-CG 3.3Å; V51-K55 WeakPolarHBondContact O-CG 3.32Å; V51-K55 PolarHBondContact O-N 2.9Å; E52-K55 WeakPolarHBondContact O-CB 3.14Å; E52-K55 PolarHBondContact O-N 2.95Å; E52-K55 VanDerWaalsContact O-N 3.15Å; E52-K55 IonicContact OE2-NZ 2.99Å; A53-K55 VanDerWaalsContact C-N 3.28Å; A53-K55 PolarHBondContact O-N 3.25Å
56L94.8Very high95.2Very high80 Ų8074.1 Ų74.142%0.41939%0.385SS..Hα-helixtrans-77.2-9175.3-67.3170.6000112.2E52 A53 F54 Y58 Q96 L100E52-L56 WeakPolarHBondContact O-CG 3.28Å; E52-L56 PolarHBondContact O-N 3.47Å; E52-L56 VanDerWaalsContact O-N 3.07Å; A53-L56 WeakPolarHBondContact O-CA 3.34Å; A53-L56 WeakPolarHBondContact O-CB 3.36Å; A53-L56 PolarHBondContact O-N 3.3Å; F54-L56 VanDerWaalsContact C-N 3.28Å; F54-L56 PolarHBondContact O-N 3.27Å; L56-Y58 HydrophobicContact CB-CD2 3.88Å; L56-Y58 HydrophobicContact CB-CE2 3.94Å; L56-Q96 HydrophobicContact CD1-CG 4.07Å; L56-L100 HydrophobicContact CD1-CD1 3.78Å
57G94.8Very high95Very high63 Ų6381.2 Ų81.265%0.64942%0.418SS*.THydrogen-bonded Turntrans103.111.2176.300000114.4A53 F54A53-G57 PolarHBondContact O-N 2.95Å; F54-G57 PolarHBondContact O-N 3.4Å; F54-G57 VanDerWaalsContact O-N 3.15Å
58Y96.7Very high94.7Very high15 Ų1579 Ų796%0.05941%0.411CS..  trans-81.9152.7171.2-62.3-85.9000110.9A53 F54 L56 I79 Q93 Q96 L97A53-Y58 HydrophobicContact CB-CD2 4.41Å; A53-Y58 WeakPolarHBondContact O-CD2 3.41Å; A53-Y58 PolarHBondContact O-N 3.15Å; F54-Y58 WeakPolarHBondContact CA-O 3.4Å; L56-Y58 HydrophobicContact CB-CD2 3.88Å; L56-Y58 HydrophobicContact CB-CE2 3.94Å; Y58-I79 HydrophobicContact CD1-CG2 3.71Å; Y58-I79 HydrophobicContact CD2-CG2 4.26Å; Y58-I79 HydrophobicContact CG-CG2 3.51Å; Y58-Q93 HydrophobicContact CE1-CB 4.42Å; Y58-Q93 HydrophobicContact CE1-CG 4.09Å; Y58-Q93 WeakPolarHBondContact OH-CG 3.4Å; Y58-Q96 VanDerWaalsContact CE2-OE1 3.32Å; Y58-Q96 PolarHBondContact OH-OE1 3.15Å; Y58-L97 HydrophobicContact CD2-CD2 4.42Å; Y58-L97 HydrophobicContact CE1-CD1 4.39Å; Y58-L97 HydrophobicContact CE2-CD2 4.25Å
59E96.5Very high94.3Very high120 Ų12084.8 Ų84.856%0.56144%0.44SS*.EExtended strand (participates in β ladder)trans-84.8149.9162.7-68.1-173.7101.600109.1I79 L80E59-I79 CarbonylContact O-C 3.57Å; E59-I79 WeakPolarHBondContact O-CA 3.46Å; E59-L80 HydrophobicContact CB-CB 4.08Å; E59-L80 PolarHBondContact N-O 3.48Å; E59-L80 PolarHBondContact O-N 3.35Å
60V96.3Very high93.9Very high44 Ų4491.7 Ų91.727%0.26748%0.476SS..EExtended strand (participates in β ladder)trans-134.5130.3-176-174.60000109.2A50 A53 F54 D78 I79A50-V60 HydrophobicContact CB-CG1 3.68Å; A53-V60 HydrophobicContact CB-CG2 4.29Å; F54-V60 HydrophobicContact CB-CG2 4.07Å; V60-D78 WeakPolarHBondContact CA-O 3.5Å; V60-I79 HydrophobicContact CB-CD1 4.09Å; V60-I79 HydrophobicContact CG1-CD1 3.59Å; V60-I79 HydrophobicContact CG2-CD1 3.6Å
61T95.5Very high93.6Very high44 Ų4493 Ų9327%0.2749%0.492SS..PPolyproline II helixtrans-79.2163.1176.262.80000111.2D78 L80T61-D78 HydrophobicContact CG2-CB 3.9Å; T61-D78 PolarHBondContact N-O 2.84Å; T61-D78 WeakPolarHBondContact OG1-CA 3.28Å; T61-D78 VanDerWaalsContact OG1-CB 3.32Å; T61-D78 WeakPolarHBondContact OG1-CB 3.4Å; T61-D78 PolarHBondContact OG1-N 3.18Å; T61-D78 PolarHBondContact OG1-O 3.15Å; T61-D78 PolarHBondContact OG1-OD2 2.85Å; T61-L80 HydrophobicContact CG2-CD1 3.92Å; T61-L80 HydrophobicContact CG2-CG 4.5Å
62D94.1Very high93.3Very high141 Ų14194.1 Ų94.175%0.75450%0.495SS*.PPolyproline II helixtrans-65.6141.1174.1-77.4-65.6000110
63P94.7Very high93.1Very high54 Ų5496.6 Ų96.635%0.35151%0.509SS..PPolyproline II helixtrans-67.9135.4179.426.8-32.7000111.5L43 L46 I75 C76L43-P63 HydrophobicContact CD1-CB 3.7Å; L43-P63 HydrophobicContact CD1-CG 3.51Å; L46-P63 HydrophobicContact CD2-CB 3.91Å; P63-I75 HydrophobicContact CB-CG2 3.81Å; P63-C76 CarbonylContact C-O 3.56Å; P63-C76 WeakPolarHBondContact CA-O 3.4Å
64E94Very high92.9Very high134 Ų13497.9 Ų97.963%0.62652%0.516SS*.EExtended strand (participates in β ladder)trans-118.3144179-63.2-163.993.100111.3I75 C76E64-I75 CarbonylContact O-C 3.54Å; E64-I75 VanDerWaalsContact O-CA 3.31Å; E64-I75 WeakPolarHBondContact O-CA 3.46Å; E64-C76 PolarHBondContact N-O 3.21Å; E64-C76 PolarHBondContact O-N 2.71Å; E64-C76 PolarHBondContact O-SG 3.49Å; E64-C76 VanDerWaalsContact O-SG 3.38Å
65E93.5Very high92.9Very high154 Ų15492.1 Ų92.172%0.7249%0.492SS*.EExtended strand (participates in β ladder)trans-87.7121.4173.4-69.4-178.5120.200109.6I73 I75E65-I73 HydrophobicContact CB-CG2 3.91Å; E65-I73 HydrophobicContact CG-CG2 4.24Å; E65-I75 HydrophobicContact CG-CG1 4.27Å
66L91.3Very high92.9Very high98 Ų9886.8 Ų86.851%0.51347%0.472SS..EExtended strand (participates in β ladder)trans-116.6128.6178.7-173.971.3000110.5I73 V74L66-I73 WeakPolarHBondContact O-CA 3.32Å; L66-V74 HydrophobicContact CB-CG2 4.17Å; L66-V74 PolarHBondContact N-O 2.92Å; L66-V74 PolarHBondContact O-N 2.92Å
67E92Very high92.9Very high149 Ų14983 Ų8370%0.69645%0.452SS*.EExtended strand (participates in β ladder)trans-82.3116.2170.9-171.6177.493.900109.2D72E67-D72 WeakPolarHBondContact CA-O 3.49Å
68V88.3Confident93Very high51 Ų5181.3 Ų81.331%0.30943%0.428SS..  trans-84.2167.6177.3-62.80000111.4D70 G71 D72 V74V68-D70 PolarHBondContact O-N 3.44Å; V68-G71 WeakPolarHBondContact O-CA 3.46Å; V68-G71 PolarHBondContact O-N 2.91Å; V68-D72 HydrophobicContact CG2-CB 3.86Å; V68-D72 WeakPolarHBondContact CG2-O 3.42Å; V68-D72 PolarHBondContact N-O 2.72Å; V68-V74 HydrophobicContact CG1-CB 4.46Å; V68-V74 HydrophobicContact CG1-CG1 4.01Å; V68-V74 HydrophobicContact CG1-CG2 3.63Å; V68-V74 HydrophobicContact CG2-CG1 4.48Å
69E86.9Confident93Very high214 Ų21480.6 Ų80.6100%143%0.425SS*.THydrogen-bonded Turntrans-57.5-24.1-172.4-66-167.899.600115.1G71E69-G71 VanDerWaalsContact C-N 3.26Å; E69-G71 PolarHBondContact O-N 2.64Å
70D87.5Confident93Very high144 Ų14476.5 Ų76.577%0.7741%0.407SS*.THydrogen-bonded Turntrans-78.6-9.9176-150.2-108.8000113.1V68V68-D70 PolarHBondContact O-N 3.44Å
71G88.8Confident93Very high44 Ų4475.6 Ų75.645%0.45440%0.403SS..SBendtrans87.14.9-174.300000114.1V68 E69V68-G71 WeakPolarHBondContact O-CA 3.46Å; V68-G71 PolarHBondContact O-N 2.91Å; E69-G71 VanDerWaalsContact C-N 3.26Å; E69-G71 PolarHBondContact O-N 2.64Å
72D90.2Very high93Very high100 Ų10079.1 Ų79.154%0.53542%0.416SS..  trans-73.1151168.1-74.2-49.4000110.4E67 V68E67-D72 WeakPolarHBondContact CA-O 3.49Å; V68-D72 HydrophobicContact CG2-CB 3.86Å; V68-D72 WeakPolarHBondContact CG2-O 3.42Å; V68-D72 PolarHBondContact N-O 2.72Å
73I91.3Very high93Very high100 Ų10073 Ų7351%0.51338%0.384SS..EExtended strand (participates in β ladder)trans-103.6120.2175-60.9174.5000107E65 L66E65-I73 HydrophobicContact CB-CG2 3.91Å; E65-I73 HydrophobicContact CG-CG2 4.24Å; L66-I73 WeakPolarHBondContact O-CA 3.32Å
74V93.1Very high92.9Very high26 Ų2672.6 Ų72.616%0.15839%0.386CS..EExtended strand (participates in β ladder)trans-107155.9170.2-57.70000108.9L66 V68L66-V74 HydrophobicContact CB-CG2 4.17Å; L66-V74 PolarHBondContact N-O 2.92Å; L66-V74 PolarHBondContact O-N 2.92Å; V68-V74 HydrophobicContact CG1-CB 4.46Å; V68-V74 HydrophobicContact CG1-CG1 4.01Å; V68-V74 HydrophobicContact CG1-CG2 3.63Å; V68-V74 HydrophobicContact CG2-CG1 4.48Å
75I94.7Very high92.8Very high20 Ų2067.2 Ų67.210%0.10336%0.361CS..EExtended strand (participates in β ladder)trans-107.4125.3175-53.1175.9000106.9S39 A40 L43 L46 P63 E64 E65S39-I75 CarbonylContact C-O 3.58Å; S39-I75 VanDerWaalsContact CA-O 3.24Å; S39-I75 WeakPolarHBondContact CA-O 3.38Å; A40-I75 PolarHBondContact N-O 2.9Å; A40-I75 PolarHBondContact O-N 2.88Å; L43-I75 HydrophobicContact CB-CD1 3.73Å; L43-I75 HydrophobicContact CD1-CG2 4.14Å; L43-I75 VanDerWaalsContact N-CD1 3.33Å; L46-I75 HydrophobicContact CD2-CB 4.05Å; L46-I75 HydrophobicContact CD2-CG2 3.46Å; L46-I75 VanDerWaalsContact CD2-CG2 3.46Å; P63-I75 HydrophobicContact CB-CG2 3.81Å; E64-I75 CarbonylContact O-C 3.54Å; E64-I75 VanDerWaalsContact O-CA 3.31Å; E64-I75 WeakPolarHBondContact O-CA 3.46Å; E65-I75 HydrophobicContact CG-CG1 4.27Å
76C95.1Very high92.8Very high27 Ų2763 Ų6318%0.18234%0.344CS..EExtended strand (participates in β ladder)trans-116.6149.2-178.947.50000111.6L38 P63 E64L38-C76 CarbonylContact O-C 3.58Å; L38-C76 WeakPolarHBondContact O-CA 3.39Å; P63-C76 CarbonylContact C-O 3.56Å; P63-C76 WeakPolarHBondContact CA-O 3.4Å; E64-C76 PolarHBondContact N-O 3.21Å; E64-C76 PolarHBondContact O-N 2.71Å; E64-C76 PolarHBondContact O-SG 3.49Å; E64-C76 VanDerWaalsContact O-SG 3.38Å
77C96Very high93Very high2 Ų259.3 Ų59.31%0.01433%0.327CS..EExtended strand (participates in β ladder)trans-144.2156167.773.40000110.1L38 L46L38-C77 PolarHBondContact N-O 2.88Å; L38-C77 PolarHBondContact O-N 3.45Å; L46-C77 HydrophobicContact CD2-CB 4.01Å; L46-C77 HydrophobicContact CG-CB 4.38Å
78D97.1Very high93.1Very high26 Ų2658 Ų5814%0.13933%0.325CS..EExtended strand (participates in β ladder)trans-107137.4-178.9-39.9-54.4000110E35 H36 H37 V60 T61E35-D78 HydrophobicContact CG-CB 3.96Å; H36-D78 CarbonylContact O-C 3.49Å; H36-D78 WeakPolarHBondContact O-CA 3.39Å; H37-D78 IonicContact CD2-OD1 3.42Å; H37-D78 PolarHBondContact CD2-OD1 3.32Å; H37-D78 IonicContact CG-OD1 2.97Å; H37-D78 IonicContact NE2-OD1 3.88Å; H37-D78 PolarHBondContact NE2-OD1 2.81Å; V60-D78 WeakPolarHBondContact CA-O 3.5Å; T61-D78 HydrophobicContact CG2-CB 3.9Å; T61-D78 PolarHBondContact N-O 2.84Å; T61-D78 WeakPolarHBondContact OG1-CA 3.28Å; T61-D78 VanDerWaalsContact OG1-CB 3.32Å; T61-D78 WeakPolarHBondContact OG1-CB 3.4Å; T61-D78 PolarHBondContact OG1-N 3.18Å; T61-D78 PolarHBondContact OG1-O 3.15Å; T61-D78 PolarHBondContact OG1-OD2 2.85Å
79I96.5Very high93.5Very high0 Ų059.6 Ų59.60%033%0.331CS..EExtended strand (participates in β ladder)trans-111.8113177.1-49.5-60.5000107.3H36 L38 A53 Y58 E59 V60 L97H36-I79 HydrophobicContact CB-CB 4.22Å; H36-I79 PolarHBondContact CD2-O 3.1Å; H36-I79 PolarHBondContact N-O 3.35Å; H36-I79 PolarHBondContact O-N 3.22Å; L38-I79 HydrophobicContact CD1-CD1 4.09Å; L38-I79 HydrophobicContact CD1-CG1 3.66Å; L38-I79 HydrophobicContact CG-CG1 4.05Å; A53-I79 HydrophobicContact CB-CD1 3.82Å; A53-I79 HydrophobicContact CB-CG1 4.34Å; A53-I79 HydrophobicContact CB-CG2 3.91Å; Y58-I79 HydrophobicContact CD1-CG2 3.71Å; Y58-I79 HydrophobicContact CD2-CG2 4.26Å; Y58-I79 HydrophobicContact CG-CG2 3.51Å; E59-I79 CarbonylContact O-C 3.57Å; E59-I79 WeakPolarHBondContact O-CA 3.46Å; V60-I79 HydrophobicContact CB-CD1 4.09Å; V60-I79 HydrophobicContact CG1-CD1 3.59Å; V60-I79 HydrophobicContact CG2-CD1 3.6Å; I79-L97 HydrophobicContact CB-CD1 4.37Å; I79-L97 HydrophobicContact CG2-CD1 4.17Å; I79-L97 HydrophobicContact CG2-CD2 3.98Å
80L96.9Very high93.9Very high34 Ų3449.4 Ų49.418%0.17828%0.284CS..EExtended strand (participates in β ladder)trans-103.4143-172.1-60.1167.7000111T33 I34 E35 E59 T61T33-L80 HydrophobicContact CG2-CD2 3.86Å; I34-L80 CarbonylContact O-C 3.43Å; I34-L80 WeakPolarHBondContact O-CA 3.38Å; E35-L80 HydrophobicContact CB-CD2 3.69Å; E35-L80 HydrophobicContact CG-CD2 3.67Å; E59-L80 HydrophobicContact CB-CB 4.08Å; E59-L80 PolarHBondContact N-O 3.48Å; E59-L80 PolarHBondContact O-N 3.35Å; T61-L80 HydrophobicContact CG2-CD1 3.92Å; T61-L80 HydrophobicContact CG2-CG 4.5Å
81S96Very high94.3Very high25 Ų2543.1 Ų43.118%0.17525%0.25CS..EExtended strand (participates in β ladder)trans-146.7134171-1650000110.9I34 Q93I34-S81 WeakPolarHBondContact CB-O 3.48Å; I34-S81 PolarHBondContact N-O 3.3Å; I34-S81 PolarHBondContact O-N 3Å; S81-Q93 VanDerWaalsContact CB-NE2 3.27Å; S81-Q93 PolarHBondContact OG-NE2 3.14Å
82E95.1Very high94.6Very high118 Ų11843.7 Ų43.755%0.55125%0.251SS*.EExtended strand (participates in β ladder)trans-89117.5172.4-66-177.8107.800110.5L31 Y32L31-E82 HydrophobicContact CD1-CB 4.28Å; L31-E82 HydrophobicContact CD2-CB 3.81Å; L31-E82 HydrophobicContact CD2-CG 4.37Å; L31-E82 HydrophobicContact CG-CB 3.91Å; Y32-E82 WeakPolarHBondContact O-CA 3.28Å
83C93.4Very high94.9Very high12 Ų1239.7 Ų39.78%0.08123%0.229CC..EExtended strand (participates in β ladder)trans-148.9166.117578.90000112.4Y32 I34 L89Y32-C83 PolarHBondContact N-O 2.85Å; Y32-C83 PolarHBondContact O-N 2.88Å; I34-C83 WeakPolarHBondContact CG1-SG 3.48Å; C83-L89 HydrophobicContact CB-CD1 4.21Å
84A93.2Very high95.1Very high47 Ų4735 Ų3539%0.38821%0.205SC..EExtended strand (participates in β ladder)trans-68.2150.6173.300000109.9N86A84-N86 PolarHBondContact O-N 3.44Å
85L92.8Very high95.2Very high21 Ų2138 Ų3811%0.1122%0.217CC..SBendtrans-66.177.7177-163.269.6000111.3I18 L21 L22 Y32 I90 T113I18-L85 HydrophobicContact CB-CD2 4.49Å; I18-L85 HydrophobicContact CB-CG 4.34Å; I18-L85 HydrophobicContact CG1-CD1 3.92Å; I18-L85 HydrophobicContact CG1-CG 3.9Å; I18-L85 HydrophobicContact CG2-CD2 3.94Å; I18-L85 HydrophobicContact CG2-CG 3.89Å; L21-L85 HydrophobicContact CB-CD2 4.19Å; L21-L85 HydrophobicContact CD1-CD1 4.07Å; L21-L85 HydrophobicContact CD1-CD2 4.3Å; L22-L85 HydrophobicContact CD2-CD2 4Å; L22-L85 HydrophobicContact CG-CD2 4.04Å; Y32-L85 HydrophobicContact CD1-CD1 4.02Å; Y32-L85 HydrophobicContact CD2-CB 3.66Å; Y32-L85 HydrophobicContact CD2-CD1 4.39Å; Y32-L85 HydrophobicContact CD2-CG 4.48Å; Y32-L85 HydrophobicContact CE1-CD1 4.18Å; Y32-L85 HydrophobicContact CE1-CD2 4.22Å; Y32-L85 HydrophobicContact CE2-CB 3.6Å; Y32-L85 HydrophobicContact CE2-CD2 4.19Å; Y32-L85 HydrophobicContact CE2-CG 4.31Å; Y32-L85 HydrophobicContact CG-CB 4.22Å; Y32-L85 HydrophobicContact CG-CD1 4.11Å; L85-I90 HydrophobicContact CD1-CD1 4.46Å; L85-T113 HydrophobicContact CD1-CG2 4.25Å
86N93.4Very high95.2Very high66 Ų6640.7 Ų40.735%0.35323%0.229SC..  trans-132.3117.5-170.6-175.6-64.8000109.8A84 D88 L89 I90A84-N86 PolarHBondContact O-N 3.44Å; N86-D88 VanDerWaalsContact C-N 3.29Å; N86-D88 PolarHBondContact O-N 2.86Å; N86-D88 WeakPolarHBondContact OD1-CB 3.5Å; N86-D88 PolarHBondContact OD1-N 2.79Å; N86-L89 HydrophobicContact CB-CB 4.2Å; N86-L89 HydrophobicContact CB-CD1 3.92Å; N86-L89 HydrophobicContact CB-CG 3.97Å; N86-L89 PolarHBondContact O-N 3.15Å; N86-L89 PolarHBondContact OD1-N 3.05Å; N86-I90 PolarHBondContact O-N 3.26Å; N86-I90 VanDerWaalsContact O-N 3.08Å
87A95.2Very high95.2Very high20 Ų2039.4 Ų39.417%0.16522%0.22CC..Hα-helixtrans-56-40.4-177.200000112.9T14 R15 I18 L89 I90 D91T14-A87 HydrophobicContact CG2-CB 4.26Å; R15-A87 HydrophobicContact CG-CB 4.2Å; I18-A87 HydrophobicContact CD1-CB 3.85Å; A87-L89 VanDerWaalsContact C-N 3.32Å; A87-L89 PolarHBondContact O-N 3.4Å; A87-I90 PolarHBondContact O-N 2.93Å; A87-D91 WeakPolarHBondContact O-CB 3.34Å; A87-D91 PolarHBondContact O-N 3.44Å
88D94.9Very high95.1Very high122 Ų12240.1 Ų40.165%0.65222%0.224SC*.Hα-helixtrans-68.2-31.7-179.4-64.6-69.6000112.4N86 A92N86-D88 VanDerWaalsContact C-N 3.29Å; N86-D88 PolarHBondContact O-N 2.86Å; N86-D88 WeakPolarHBondContact OD1-CB 3.5Å; N86-D88 PolarHBondContact OD1-N 2.79Å; D88-A92 WeakPolarHBondContact O-CB 3.43Å; D88-A92 PolarHBondContact O-N 2.97Å
89L95.2Very high95Very high84 Ų8441.6 Ų41.644%0.4423%0.234SC..Hα-helixtrans-71-47.9175.5-66.7-178.9000111C83 N86 A87 A92 Q93C83-L89 HydrophobicContact CB-CD1 4.21Å; N86-L89 HydrophobicContact CB-CB 4.2Å; N86-L89 HydrophobicContact CB-CD1 3.92Å; N86-L89 HydrophobicContact CB-CG 3.97Å; N86-L89 PolarHBondContact O-N 3.15Å; N86-L89 PolarHBondContact OD1-N 3.05Å; A87-L89 VanDerWaalsContact C-N 3.32Å; A87-L89 PolarHBondContact O-N 3.4Å; L89-A92 WeakPolarHBondContact O-CB 3.48Å; L89-A92 PolarHBondContact O-N 3.01Å; L89-Q93 WeakPolarHBondContact O-CG 3.49Å; L89-Q93 PolarHBondContact O-N 3.39Å
90I95.6Very high94.9Very high0 Ų042 Ų420%024%0.236CC..Hα-helixtrans-67.1-43.9-179.3-61.8172.3000110T14 I18 I34 L85 N86 A87 A92 Q93 V94 W111T14-I90 HydrophobicContact CG2-CB 3.93Å; T14-I90 HydrophobicContact CG2-CG2 3.79Å; I18-I90 HydrophobicContact CD1-CD1 4.11Å; I34-I90 HydrophobicContact CD1-CD1 3.78Å; I34-I90 HydrophobicContact CD1-CG1 4.16Å; I34-I90 HydrophobicContact CG1-CD1 4.42Å; I34-I90 HydrophobicContact CG1-CG1 4.25Å; L85-I90 HydrophobicContact CD1-CD1 4.46Å; N86-I90 PolarHBondContact O-N 3.26Å; N86-I90 VanDerWaalsContact O-N 3.08Å; A87-I90 PolarHBondContact O-N 2.93Å; I90-A92 PolarHBondContact O-N 2.67Å; I90-Q93 WeakPolarHBondContact O-CB 3.39Å; I90-Q93 PolarHBondContact O-N 2.88Å; I90-V94 HydrophobicContact CG2-CG2 4.25Å; I90-V94 VanDerWaalsContact O-CG2 3.28Å; I90-V94 WeakPolarHBondContact O-CG2 3.49Å; I90-V94 PolarHBondContact O-N 2.9Å; I90-W111 HydrophobicContact CD1-CH2 3.68Å; I90-W111 HydrophobicContact CD1-CZ2 4.39Å; I90-W111 HydrophobicContact CD1-CZ3 3.88Å; I90-W111 HydrophobicContact CG2-CD2 3.76Å; I90-W111 HydrophobicContact CG2-CE3 4.01Å; I90-W111 HydrophobicContact CG2-CG 4.45Å; I90-W111 HydrophobicContact CG2-CH2 3.89Å; I90-W111 HydrophobicContact CG2-CZ2 3.63Å; I90-W111 HydrophobicContact CG2-CZ3 4.06Å
91D95.8Very high94.7Very high12 Ų1240.5 Ų40.56%0.06423%0.228CC..Hα-helixtrans-55.4-37.3174.6-72.8-16.8000111.3R11 R15 A87 E95R11-D91 HydrophobicContact CG-CB 4.26Å; R11-D91 WeakPolarHBondContact CG-OD1 3.48Å; R15-D91 IonicContact CZ-OD2 3.13Å; R15-D91 IonicContact NH1-OD1 3.05Å; R15-D91 IonicContact NH1-OD2 3.17Å; R15-D91 PolarHBondContact NH1-OD2 2.84Å; R15-D91 IonicContact NH2-OD2 3.5Å; R15-D91 PolarHBondContact NH2-OD2 2.69Å; A87-D91 WeakPolarHBondContact O-CB 3.34Å; A87-D91 PolarHBondContact O-N 3.44Å; D91-E95 WeakPolarHBondContact O-CB 3.44Å; D91-E95 PolarHBondContact O-N 2.81Å
92A95.3Very high94.6Very high56 Ų5644 Ų4446%0.46324%0.242SC..Hα-helixtrans-72.8-38.717700000112.9D88 L89 I90 Q96D88-A92 WeakPolarHBondContact O-CB 3.43Å; D88-A92 PolarHBondContact O-N 2.97Å; L89-A92 WeakPolarHBondContact O-CB 3.48Å; L89-A92 PolarHBondContact O-N 3.01Å; I90-A92 PolarHBondContact O-N 2.67Å; A92-Q96 WeakPolarHBondContact O-CB 3.12Å; A92-Q96 PolarHBondContact O-N 3.26Å
93Q95.6Very high94.5Very high16 Ų1644.6 Ų44.68%0.07524%0.243CC..Hα-helixtrans-63.3-47.9174.3-68.2170-24.900110.6Y58 S81 L89 I90 E95 Q96 L97Y58-Q93 HydrophobicContact CE1-CB 4.42Å; Y58-Q93 HydrophobicContact CE1-CG 4.09Å; Y58-Q93 WeakPolarHBondContact OH-CG 3.4Å; S81-Q93 VanDerWaalsContact CB-NE2 3.27Å; S81-Q93 PolarHBondContact OG-NE2 3.14Å; L89-Q93 WeakPolarHBondContact O-CG 3.49Å; L89-Q93 PolarHBondContact O-N 3.39Å; I90-Q93 WeakPolarHBondContact O-CB 3.39Å; I90-Q93 PolarHBondContact O-N 2.88Å; Q93-E95 PolarHBondContact O-N 2.86Å; Q93-Q96 PolarHBondContact O-N 3.17Å; Q93-L97 WeakPolarHBondContact O-CB 3.36Å; Q93-L97 WeakPolarHBondContact O-CG 3.35Å; Q93-L97 PolarHBondContact O-N 3.07Å
94V95.5Very high94.5Very high2 Ų246.2 Ų46.21%0.01225%0.249CC..Hα-helixtrans-56.9-49.8176.1175.70000110.9Q10 I90 Q96 L97 M98 Y108 W111Q10-V94 HydrophobicContact CB-CG1 3.95Å; Q10-V94 HydrophobicContact CG-CG1 3.88Å; I90-V94 HydrophobicContact CG2-CG2 4.25Å; I90-V94 VanDerWaalsContact O-CG2 3.28Å; I90-V94 WeakPolarHBondContact O-CG2 3.49Å; I90-V94 PolarHBondContact O-N 2.9Å; V94-Q96 VanDerWaalsContact C-N 3.3Å; V94-Q96 PolarHBondContact O-N 3.28Å; V94-L97 PolarHBondContact O-N 3.45Å; V94-M98 HydrophobicContact CG1-CE 4.11Å; V94-M98 HydrophobicContact CG1-CG 4.18Å; V94-M98 HydrophobicContact CG1-SD 3.94Å; V94-M98 WeakPolarHBondContact O-CB 3.46Å; V94-M98 VanDerWaalsContact O-CG 3.32Å; V94-M98 WeakPolarHBondContact O-CG 3.47Å; V94-M98 PolarHBondContact O-N 3.29Å; V94-Y108 HydrophobicContact CG1-CE1 4.26Å; V94-W111 HydrophobicContact CG2-CG 4.29Å
95E95.1Very high94.5Very high87 Ų8750.6 Ų50.641%0.40727%0.266SS..Hα-helixtrans-60.4-40.3179.1-174.3-179.1120.900112.2L7 R11 D91 Q93 T99L7-E95 HydrophobicContact CD1-CG 4.18Å; L7-E95 HydrophobicContact CD2-CB 4.04Å; L7-E95 HydrophobicContact CD2-CG 4.24Å; R11-E95 IonicContact NH2-OE2 3.75Å; R11-E95 PolarHBondContact NH2-OE2 2.9Å; D91-E95 WeakPolarHBondContact O-CB 3.44Å; D91-E95 PolarHBondContact O-N 2.81Å; Q93-E95 PolarHBondContact O-N 2.86Å; E95-T99 WeakPolarHBondContact O-CB 3.37Å; E95-T99 PolarHBondContact O-N 3.48Å; E95-T99 VanDerWaalsContact O-N 3.1Å; E95-T99 PolarHBondContact O-OG1 2.93Å
96Q95Very high94.6Very high77 Ų7749.8 Ų49.836%0.3626%0.262SS..Hα-helixtrans-66.6-45.9178.6-175.2173.342.300111.8L56 Y58 A92 Q93 V94 T99 L100L56-Q96 HydrophobicContact CD1-CG 4.07Å; Y58-Q96 VanDerWaalsContact CE2-OE1 3.32Å; Y58-Q96 PolarHBondContact OH-OE1 3.15Å; A92-Q96 WeakPolarHBondContact O-CB 3.12Å; A92-Q96 PolarHBondContact O-N 3.26Å; Q93-Q96 PolarHBondContact O-N 3.17Å; V94-Q96 VanDerWaalsContact C-N 3.3Å; V94-Q96 PolarHBondContact O-N 3.28Å; Q96-T99 PolarHBondContact O-N 3.38Å; Q96-L100 WeakPolarHBondContact O-CB 3.44Å; Q96-L100 PolarHBondContact O-N 3.05Å
97L95.7Very high94.6Very high0 Ų053 Ų530%027%0.274CS..Hα-helixtrans-73.6-39.1-178.1-68.8174.2000112.2H36 A53 Y58 I79 Q93 V94 T99 L100 A101 Y108H36-L97 HydrophobicContact CB-CD1 3.51Å; H36-L97 WeakPolarHBondContact CD2-CD1 3.26Å; A53-L97 HydrophobicContact CB-CD2 4.31Å; Y58-L97 HydrophobicContact CD2-CD2 4.42Å; Y58-L97 HydrophobicContact CE1-CD1 4.39Å; Y58-L97 HydrophobicContact CE2-CD2 4.25Å; I79-L97 HydrophobicContact CB-CD1 4.37Å; I79-L97 HydrophobicContact CG2-CD1 4.17Å; I79-L97 HydrophobicContact CG2-CD2 3.98Å; Q93-L97 WeakPolarHBondContact O-CB 3.36Å; Q93-L97 WeakPolarHBondContact O-CG 3.35Å; Q93-L97 PolarHBondContact O-N 3.07Å; V94-L97 PolarHBondContact O-N 3.45Å; L97-T99 VanDerWaalsContact C-N 3.31Å; L97-T99 PolarHBondContact O-N 3.18Å; L97-L100 CarbonylContact O-C 3.33Å; L97-L100 WeakPolarHBondContact O-CB 3.49Å; L97-L100 PolarHBondContact O-N 3.02Å; L97-A101 VanDerWaalsContact O-CB 3.28Å; L97-A101 WeakPolarHBondContact O-CB 3.45Å; L97-A101 PolarHBondContact O-N 2.94Å; L97-Y108 HydrophobicContact CB-CD2 4.06Å; L97-Y108 HydrophobicContact CB-CE2 3.85Å; L97-Y108 HydrophobicContact CD1-CE2 4.43Å
98M94.4Very high94.6Very high18 Ų1853.6 Ų53.69%0.08927%0.273CS..Hα-helixtrans-61-40.2171.3-74.2-171.9159.600112A2 L7 Q10 V94 L100 A101 E102 Y108A2-M98 HydrophobicContact CB-CB 3.58Å; A2-M98 HydrophobicContact CB-SD 4.36Å; L7-M98 HydrophobicContact CD2-SD 3.59Å; L7-M98 VanDerWaalsContact CD2-SD 3.59Å; L7-M98 HydrophobicContact CG-SD 4.31Å; Q10-M98 HydrophobicContact CG-CE 3.44Å; Q10-M98 VanDerWaalsContact CG-CE 3.44Å; Q10-M98 HydrophobicContact CG-SD 4.45Å; V94-M98 HydrophobicContact CG1-CE 4.11Å; V94-M98 HydrophobicContact CG1-CG 4.18Å; V94-M98 HydrophobicContact CG1-SD 3.94Å; V94-M98 WeakPolarHBondContact O-CB 3.46Å; V94-M98 VanDerWaalsContact O-CG 3.32Å; V94-M98 WeakPolarHBondContact O-CG 3.47Å; V94-M98 PolarHBondContact O-N 3.29Å; M98-L100 VanDerWaalsContact C-N 3.32Å; M98-L100 PolarHBondContact O-N 3.23Å; M98-A101 WeakPolarHBondContact O-CB 3.37Å; M98-A101 PolarHBondContact O-N 3.13Å; M98-E102 PolarHBondContact O-N 3.13Å; M98-Y108 HydrophobicContact CE-CD1 3.46Å; M98-Y108 VanDerWaalsContact CE-CD1 3.46Å; M98-Y108 HydrophobicContact CE-CE1 3.71Å; M98-Y108 HydrophobicContact CE-CG 4.4Å; M98-Y108 HydrophobicContact CG-CD1 3.75Å; M98-Y108 HydrophobicContact CG-CD2 4.3Å; M98-Y108 HydrophobicContact CG-CE1 4.18Å; M98-Y108 HydrophobicContact CG-CG 3.82Å
99T93.9Very high94.5Very high57 Ų5752.5 Ų52.535%0.3527%0.267SS..Hα-helixtrans-67.2-35.1176.4-62.30000112E95 Q96 L97 K103E95-T99 WeakPolarHBondContact O-CB 3.37Å; E95-T99 PolarHBondContact O-N 3.48Å; E95-T99 VanDerWaalsContact O-N 3.1Å; E95-T99 PolarHBondContact O-OG1 2.93Å; Q96-T99 PolarHBondContact O-N 3.38Å; L97-T99 VanDerWaalsContact C-N 3.31Å; L97-T99 PolarHBondContact O-N 3.18Å; T99-K103 WeakPolarHBondContact O-CB 3.16Å; T99-K103 PolarHBondContact O-N 3.23Å
100L94.3Very high94.4Very high7 Ų749.1 Ų49.14%0.03725%0.252CS..Hα-helixtrans-68.5-40.8173.8-178.2154.1000110.6A49 E52 A53 L56 Q96 L97 M98 K103 F104A49-L100 HydrophobicContact CB-CD2 3.58Å; E52-L100 HydrophobicContact CB-CD1 3.82Å; E52-L100 HydrophobicContact CB-CG 4.46Å; E52-L100 HydrophobicContact CG-CD1 3.74Å; E52-L100 HydrophobicContact CG-CG 4.44Å; A53-L100 HydrophobicContact CB-CD1 4.25Å; L56-L100 HydrophobicContact CD1-CD1 3.78Å; Q96-L100 WeakPolarHBondContact O-CB 3.44Å; Q96-L100 PolarHBondContact O-N 3.05Å; L97-L100 CarbonylContact O-C 3.33Å; L97-L100 WeakPolarHBondContact O-CB 3.49Å; L97-L100 PolarHBondContact O-N 3.02Å; M98-L100 VanDerWaalsContact C-N 3.32Å; M98-L100 PolarHBondContact O-N 3.23Å; L100-K103 WeakPolarHBondContact O-CB 3.18Å; L100-K103 PolarHBondContact O-N 3.45Å; L100-K103 VanDerWaalsContact O-N 3.11Å; L100-F104 HydrophobicContact CD2-CD2 3.94Å; L100-F104 HydrophobicContact CD2-CE2 4.41Å; L100-F104 HydrophobicContact CG-CD2 3.96Å; L100-F104 HydrophobicContact CG-CE2 4.07Å; L100-F104 WeakPolarHBondContact O-CD2 3.33Å; L100-F104 PolarHBondContact O-N 3.14Å; L100-F104 VanDerWaalsContact O-N 3.1Å
101A94.2Very high94.4Very high3 Ų350 Ų503%0.02526%0.255CS..Hα-helixtrans-59.4-53.7179.600000111.2L38 L97 M98 K103 F104 D105 V106L38-A101 HydrophobicContact CD2-CB 4.37Å; L97-A101 VanDerWaalsContact O-CB 3.28Å; L97-A101 WeakPolarHBondContact O-CB 3.45Å; L97-A101 PolarHBondContact O-N 2.94Å; M98-A101 WeakPolarHBondContact O-CB 3.37Å; M98-A101 PolarHBondContact O-N 3.13Å; A101-K103 PolarHBondContact O-N 3.41Å; A101-F104 PolarHBondContact O-N 3.05Å; A101-F104 VanDerWaalsContact O-N 3.13Å; A101-D105 PolarHBondContact O-N 2.93Å; A101-V106 CarbonylContact C-O 3.54Å; A101-V106 VanDerWaalsContact CA-CG2 3.42Å; A101-V106 HydrophobicContact CB-CG2 3.8Å; A101-V106 WeakPolarHBondContact CB-O 3.29Å; A101-V106 PolarHBondContact O-N 3.32Å
102E92.6Very high94.3Very high100 Ų10050.5 Ų50.547%0.46726%0.263SS..Hα-helixtrans-57.4-34173.2-73.9-175.1102.700113.7M1 A2 M98 F104M1-E102 VanDerWaalsContact CA-OE2 3.28Å; M1-E102 WeakPolarHBondContact CA-OE2 3.1Å; M1-E102 PolarHBondContact N-OE1 3.18Å; M1-E102 PolarHBondContact N-OE2 3.34Å; A2-E102 WeakPolarHBondContact CA-OE2 3.29Å; A2-E102 PolarHBondContact N-OE2 3.25Å; M98-E102 PolarHBondContact O-N 3.13Å; E102-F104 VanDerWaalsContact C-N 3.33Å
103K94Very high94.3Very high130 Ų13049.2 Ų49.257%0.56525%0.25SC*.Hα-helixtrans-70-34.3-178.2173.1-175.2169.6-167.20111.4E52 T99 L100 A101E52-K103 IonicContact OE1-NZ 3.76Å; E52-K103 PolarHBondContact OE1-NZ 3.42Å; T99-K103 WeakPolarHBondContact O-CB 3.16Å; T99-K103 PolarHBondContact O-N 3.23Å; L100-K103 WeakPolarHBondContact O-CB 3.18Å; L100-K103 PolarHBondContact O-N 3.45Å; L100-K103 VanDerWaalsContact O-N 3.11Å; A101-K103 PolarHBondContact O-N 3.41Å
104F93.9Very high94.1Very high46 Ų4654.8 Ų54.820%0.20227%0.271CS..Hα-helixtrans-100.6-3.8-177.5-70.8-72.9000113.6T45 K48 A49 E52 L100 A101 E102 V106T45-F104 WeakPolarHBondContact CG2-O 3.45Å; K48-F104 HydrophobicContact CB-CD1 3.59Å; K48-F104 HydrophobicContact CB-CE1 3.75Å; K48-F104 HydrophobicContact CB-CG 4.35Å; K48-F104 HydrophobicContact CD-CD1 4.44Å; A49-F104 HydrophobicContact CB-CB 4.05Å; A49-F104 HydrophobicContact CB-CD2 4.15Å; A49-F104 HydrophobicContact CB-CG 4.26Å; E52-F104 HydrophobicContact CB-CE2 3.62Å; E52-F104 HydrophobicContact CB-CZ 3.9Å; E52-F104 HydrophobicContact CG-CE2 3.87Å; E52-F104 HydrophobicContact CG-CZ 4.21Å; L100-F104 HydrophobicContact CD2-CD2 3.94Å; L100-F104 HydrophobicContact CD2-CE2 4.41Å; L100-F104 HydrophobicContact CG-CD2 3.96Å; L100-F104 HydrophobicContact CG-CE2 4.07Å; L100-F104 WeakPolarHBondContact O-CD2 3.33Å; L100-F104 PolarHBondContact O-N 3.14Å; L100-F104 VanDerWaalsContact O-N 3.1Å; A101-F104 PolarHBondContact O-N 3.05Å; A101-F104 VanDerWaalsContact O-N 3.13Å; E102-F104 VanDerWaalsContact C-N 3.33Å; F104-V106 VanDerWaalsContact C-N 3.34Å; F104-V106 HydrophobicContact CB-CG1 4.37Å
105D92.8Very high94Very high139 Ų13958.7 Ų58.774%0.74329%0.288SS*.THydrogen-bonded Turntrans6639.4-175.3-145.859000111.2T45 A101T45-D105 HydrophobicContact CG2-CB 4.43Å; A101-D105 PolarHBondContact O-N 2.93Å
106V94.5Very high93.8Very high4 Ų457.9 Ų57.92%0.02428%0.284CS..  trans-109.4154.3169.1-54.40000109.1A40 T45 A49 A101 F104A40-V106 HydrophobicContact CB-CB 4.31Å; A40-V106 HydrophobicContact CB-CG1 3.9Å; T45-V106 HydrophobicContact CG2-CG1 3.66Å; A49-V106 HydrophobicContact CB-CG1 3.94Å; A49-V106 HydrophobicContact CB-CG2 3.76Å; A101-V106 CarbonylContact C-O 3.54Å; A101-V106 VanDerWaalsContact CA-CG2 3.42Å; A101-V106 HydrophobicContact CB-CG2 3.8Å; A101-V106 WeakPolarHBondContact CB-O 3.29Å; A101-V106 PolarHBondContact O-N 3.32Å; F104-V106 VanDerWaalsContact C-N 3.34Å; F104-V106 HydrophobicContact CB-CG1 4.37Å
107E93.7Very high93.4Very high133 Ų13358.2 Ų58.262%0.62129%0.288SS*.EExtended strand (participates in β ladder)trans-89.4141.3177.2-63.4-65.2102.400109.8L38 S39L38-E107 WeakPolarHBondContact CA-O 3.19Å; S39-E107 PolarHBondContact N-O 2.93Å; S39-E107 PolarHBondContact O-N 2.86Å
108Y94.7Very high92.8Very high33 Ų3361.2 Ų61.213%0.12931%0.308CS..EExtended strand (participates in β ladder)trans-102.6110.4172177.5-87.8000107.9H36 L38 V94 L97 M98 W111H36-Y108 HydrophobicContact CB-CE2 4.04Å; H36-Y108 AromaticContact ND1-CE2 3.82Å; H36-Y108 AromaticContact ND1-CZ 3.81Å; H36-Y108 PolarHBondContact ND1-OH 3.49Å; L38-Y108 HydrophobicContact CD2-CD2 3.65Å; L38-Y108 HydrophobicContact CD2-CG 4.33Å; V94-Y108 HydrophobicContact CG1-CE1 4.26Å; L97-Y108 HydrophobicContact CB-CD2 4.06Å; L97-Y108 HydrophobicContact CB-CE2 3.85Å; L97-Y108 HydrophobicContact CD1-CE2 4.43Å; M98-Y108 HydrophobicContact CE-CD1 3.46Å; M98-Y108 VanDerWaalsContact CE-CD1 3.46Å; M98-Y108 HydrophobicContact CE-CE1 3.71Å; M98-Y108 HydrophobicContact CE-CG 4.4Å; M98-Y108 HydrophobicContact CG-CD1 3.75Å; M98-Y108 HydrophobicContact CG-CD2 4.3Å; M98-Y108 HydrophobicContact CG-CE1 4.18Å; M98-Y108 HydrophobicContact CG-CG 3.82Å; Y108-W111 WeakPolarHBondContact OH-CB 3.42Å
109D92.6Very high92.1Very high99 Ų9967 Ų6753%0.52934%0.339SS..EExtended strand (participates in β ladder)trans-83-28.7-172.5-67-73.3000112.7H37 S39H37-D109 HydrophobicContact CB-CB 3.97Å; H37-D109 PolarHBondContact O-N 3.36Å; S39-D109 WeakPolarHBondContact CB-OD2 3.36Å; S39-D109 PolarHBondContact N-OD2 3.48Å; S39-D109 VanDerWaalsContact N-OD2 3.12Å; S39-D109 PolarHBondContact OG-OD1 3.06Å; S39-D109 PolarHBondContact OG-OD2 2.93Å
110G93.1Very high90.8Very high12 Ų1266.4 Ų66.412%0.12434%0.344CS..EExtended strand (participates in β ladder)trans149.3-172.6-178.400000112.6H36 H37H36-G110 WeakPolarHBondContact CA-O 3.32Å; H37-G110 PolarHBondContact N-O 3.35Å
111W95.7Very high89.1Confident18 Ų1873.5 Ų73.57%0.06838%0.377CS..EExtended strand (participates in β ladder)trans-134.2159.4172.575.2-77.1000111.1T14 I17 I34 E35 H36 I90 V94 Y108 T113T14-W111 HydrophobicContact CG2-CH2 4.43Å; T14-W111 HydrophobicContact CG2-CZ2 3.75Å; T14-W111 WeakPolarHBondContact OG1-CZ2 3.5Å; T14-W111 PolarHBondContact OG1-NE1 3.04Å; T14-W111 VanDerWaalsContact OG1-NE1 3.15Å; I17-W111 HydrophobicContact CD1-CZ2 4.2Å; I17-W111 HydrophobicContact CG2-CH2 4.21Å; I34-W111 HydrophobicContact CD1-CZ3 4.12Å; I34-W111 HydrophobicContact CG2-CD2 4.45Å; I34-W111 HydrophobicContact CG2-CE3 3.66Å; I34-W111 HydrophobicContact CG2-CZ3 4.2Å; E35-W111 CarbonylContact O-C 3.55Å; E35-W111 WeakPolarHBondContact O-CA 3.21Å; H36-W111 WeakPolarHBondContact ND1-CB 3.19Å; I90-W111 HydrophobicContact CD1-CH2 3.68Å; I90-W111 HydrophobicContact CD1-CZ2 4.39Å; I90-W111 HydrophobicContact CD1-CZ3 3.88Å; I90-W111 HydrophobicContact CG2-CD2 3.76Å; I90-W111 HydrophobicContact CG2-CE3 4.01Å; I90-W111 HydrophobicContact CG2-CG 4.45Å; I90-W111 HydrophobicContact CG2-CH2 3.89Å; I90-W111 HydrophobicContact CG2-CZ2 3.63Å; I90-W111 HydrophobicContact CG2-CZ3 4.06Å; V94-W111 HydrophobicContact CG2-CG 4.29Å; Y108-W111 WeakPolarHBondContact OH-CB 3.42Å; W111-T113 HydrophobicContact CZ3-CG2 3.96Å
112G94.4Very high87.3Confident23 Ų2381.3 Ų81.324%0.23742%0.418CS..EExtended strand (participates in β ladder)trans-148.1169.3175.500000111.7E35E35-G112 PolarHBondContact N-O 3.3Å; E35-G112 PolarHBondContact O-N 3.12Å
113T95.4Very high85.1Confident29 Ų2979.5 Ų79.518%0.17843%0.427CS..EExtended strand (participates in β ladder)trans-151.6167.2171.7-166.60000109.6L21 Y32 T33 L85 W111L21-T113 HydrophobicContact CD1-CG2 3.57Å; Y32-T113 HydrophobicContact CD1-CG2 4.25Å; T33-T113 WeakPolarHBondContact O-CB 3.22Å; T33-T113 PolarHBondContact O-OG1 2.85Å; L85-T113 HydrophobicContact CD1-CG2 4.25Å; W111-T113 HydrophobicContact CZ3-CG2 3.96Å
114Y91.2Very high82.7Confident133 Ų13379.2 Ų79.252%0.52243%0.432SS..  trans-97.1154.8-178.7-59.6-82.8000111.1Y32 E116Y32-Y114 WeakPolarHBondContact CD1-O 3.45Å; Y32-Y114 WeakPolarHBondContact CE1-O 3.43Å; Y114-E116 PolarHBondContact O-N 3.07Å
115F92.5Very high80.5Confident84 Ų8484.1 Ų84.137%0.36846%0.46SS..  trans-74.2120169.9175.4-89000109.5L21 D24 S26 D117L21-F115 HydrophobicContact CD2-CB 4.14Å; L21-F115 HydrophobicContact CD2-CD2 4.16Å; D24-F115 HydrophobicContact CB-CE2 4.1Å; S26-F115 VanDerWaalsContact CA-CE2 3.44Å; S26-F115 VanDerWaalsContact CB-CE2 3.49Å; F115-D117 HydrophobicContact CD1-CB 4.38Å; F115-D117 HydrophobicContact CE1-CB 3.81Å
116E91Very high78.2Confident71 Ų7184.6 Ų84.633%0.33246%0.458SS..  trans-90113172.6-65-67.6101.600109.1S26 D27 A30 Y32 Y114 P118S26-E116 CarbonylContact C-O 3.52Å; S26-E116 WeakPolarHBondContact CA-O 3.3Å; S26-E116 PolarHBondContact OG-N 2.84Å; S26-E116 PolarHBondContact OG-O 2.98Å; D27-E116 HydrophobicContact CB-CB 4.38Å; D27-E116 PolarHBondContact N-O 2.96Å; A30-E116 HydrophobicContact CB-CB 3.83Å; A30-E116 HydrophobicContact CB-CG 3.87Å; Y32-E116 HydrophobicContact CD1-CG 3.71Å; Y32-E116 HydrophobicContact CD2-CG 4.3Å; Y32-E116 HydrophobicContact CE1-CB 3.92Å; Y32-E116 HydrophobicContact CE1-CG 3.49Å; Y32-E116 VanDerWaalsContact CE1-CG 3.49Å; Y32-E116 HydrophobicContact CE2-CB 4.44Å; Y32-E116 HydrophobicContact CE2-CG 4.11Å; Y32-E116 HydrophobicContact CG-CG 4.13Å; Y114-E116 PolarHBondContact O-N 3.07Å; E116-P118 WeakPolarHBondContact O-CD 3.47Å
117D87.9Confident75.8Confident83 Ų8391 Ų9144%0.44449%0.491SS..  trans-77.1117.1175.8-174.9-12.5000109.6F115 N119 G120F115-D117 HydrophobicContact CD1-CB 4.38Å; F115-D117 HydrophobicContact CE1-CB 3.81Å; D117-N119 PolarHBondContact O-N 3.44Å; D117-N119 WeakPolarHBondContact OD1-CA 3.39Å; D117-N119 WeakPolarHBondContact OD1-CB 3.32Å; D117-N119 PolarHBondContact OD1-N 3.08Å; D117-N119 PolarHBondContact OD1-ND2 3.41Å; D117-G120 VanDerWaalsContact CG-N 3.31Å; D117-G120 WeakPolarHBondContact O-CA 3.34Å; D117-G120 PolarHBondContact O-N 3.25Å; D117-G120 PolarHBondContact OD1-N 3.23Å
118P82.2Confident73.7Confident63 Ų6392.9 Ų92.941%0.40950%0.498SS..THydrogen-bonded Turntrans-63.6-13.6177.225.9-34.7000113.6G25 D27 E116G25-P118 WeakPolarHBondContact O-CD 3.18Å; G25-P118 VanDerWaalsContact O-CG 3.29Å; G25-P118 WeakPolarHBondContact O-CG 3.47Å; D27-P118 HydrophobicContact CB-CB 3.85Å; E116-P118 WeakPolarHBondContact O-CD 3.47Å
119N80Confident71.7Confident141 Ų14196.3 Ų96.375%0.75452%0.522SS*.THydrogen-bonded Turntrans-109.82.5173.7-43.3-87.3000112.4D117 E121D117-N119 PolarHBondContact O-N 3.44Å; D117-N119 WeakPolarHBondContact OD1-CA 3.39Å; D117-N119 WeakPolarHBondContact OD1-CB 3.32Å; D117-N119 PolarHBondContact OD1-N 3.08Å; D117-N119 PolarHBondContact OD1-ND2 3.41Å; N119-E121 PolarHBondContact O-N 3.19Å; N119-E121 VanDerWaalsContact O-N 3.15Å
120G66.4Low69.9Low43 Ų4397.2 Ų97.244%0.44353%0.527SS..  trans-59.3116.7171.400000107.6D117 D122D117-G120 VanDerWaalsContact CG-N 3.31Å; D117-G120 WeakPolarHBondContact O-CA 3.34Å; D117-G120 PolarHBondContact O-N 3.25Å; D117-G120 PolarHBondContact OD1-N 3.23Å; G120-D122 PolarHBondContact O-N 3.07Å; G120-D122 VanDerWaalsContact O-N 3.1Å
121E57.8Low68.3Low156 Ų156105.8 Ų105.873%0.72956%0.564SS**  trans-59.1116.4167.8-153.8163.9140.500105.4N119 G123N119-E121 PolarHBondContact O-N 3.19Å; N119-E121 VanDerWaalsContact O-N 3.15Å; E121-G123 WeakPolarHBondContact O-CA 3.41Å; E121-G123 PolarHBondContact O-N 2.8Å
122D56.1Low66.7Low167 Ų167111.5 Ų111.589%0.89360%0.596SS**SBendtrans-37.1112.9165.7-95.5-75.4000106.1G120 D124G120-D122 PolarHBondContact O-N 3.07Å; G120-D122 VanDerWaalsContact O-N 3.1Å; D122-D124 PolarHBondContact O-N 3.06Å
123G48.3Very low65.3Low63 Ų63116.9 Ų116.965%0.64962%0.619SS**  trans-34.9128.9-155.400000113.5E121 D125E121-G123 WeakPolarHBondContact O-CA 3.41Å; E121-G123 PolarHBondContact O-N 2.8Å; G123-D125 PolarHBondContact O-N 2.91Å
124D43.4Very low63.9Low124 Ų124122.4 Ų122.466%0.66365%0.647SS**  trans-45.189.6137.3-86-87.1000105.6D122 E126D122-D124 PolarHBondContact O-N 3.06Å; D124-E126 PolarHBondContact O-N 3.05Å
125D47.1Very low62.5Low149 Ų149118.8 Ų118.880%0.79765%0.651SS**  trans-46.897.1140.4-101.2-65.1000102G123 D127G123-D125 PolarHBondContact O-N 2.91Å; D125-D127 PolarHBondContact O-N 3.13Å
126E43.5Very low61.1Low149 Ų149120.2 Ų120.270%0.69667%0.666SS**  trans-57.684163.5-69.9-169.498.700104.5D124 F128D124-E126 PolarHBondContact O-N 3.05Å; E126-F128 HydrophobicContact CB-CD2 3.87Å; E126-F128 HydrophobicContact CB-CE2 4.22Å; E126-F128 PolarHBondContact O-N 3.14Å
127D45.7Very low59.2Low137 Ų137128.8 Ų128.873%0.73370%0.695SS**  trans-51.584.5145.9-111.2-78.7000102.9D125 V129D125-D127 PolarHBondContact O-N 3.13Å; D127-V129 HydrophobicContact CB-CG1 4.47Å; D127-V129 PolarHBondContact O-N 2.69Å
128F49.1Very low57.5Low174 Ų174136.2 Ų136.276%0.76373%0.727SS**  trans-60.973.7158.9-103.5-96.4000105E126 D130E126-F128 HydrophobicContact CB-CD2 3.87Å; E126-F128 HydrophobicContact CB-CE2 4.22Å; E126-F128 PolarHBondContact O-N 3.14Å; F128-D130 PolarHBondContact O-N 3.03Å
129V52.6Low56.2Low104 Ų104139.9 Ų139.963%0.6374%0.743SS**  trans-65.497.4158.4-75.20000104.2D127 E131D127-V129 HydrophobicContact CB-CG1 4.47Å; D127-V129 PolarHBondContact O-N 2.69Å; V129-E131 VanDerWaalsContact C-N 3.28Å; V129-E131 PolarHBondContact O-N 2.97Å
130D55.5Low55Low118 Ų118139.8 Ų139.863%0.63174%0.742SS**  trans-50.999.2166.1-163.6-81.8000106.6F128 D132 D133F128-D130 PolarHBondContact O-N 3.03Å; D130-D132 PolarHBondContact O-N 2.73Å; D130-D132 WeakPolarHBondContact OD1-CB 3.42Å; D130-D132 PolarHBondContact OD1-N 2.99Å; D130-D133 PolarHBondContact O-N 3.05Å
131E58.8Low54.4Low192 Ų192145.2 Ų145.290%0.89776%0.759SS**THydrogen-bonded Turntrans-66.37.9177.3-96.1-17577.300111.8V129V129-E131 VanDerWaalsContact C-N 3.28Å; V129-E131 PolarHBondContact O-N 2.97Å
132D61.4Low54.2Low139 Ų139144.5 Ų144.574%0.74376%0.76SS**THydrogen-bonded Turntrans-109.96.7177-84-79000114D130 D134D130-D132 PolarHBondContact O-N 2.73Å; D130-D132 WeakPolarHBondContact OD1-CB 3.42Å; D130-D132 PolarHBondContact OD1-N 2.99Å; D132-D134 PolarHBondContact O-N 3.24Å; D132-D134 VanDerWaalsContact O-N 3.14Å
133D64.9Low54Low136 Ų136143.1 Ų143.173%0.72775%0.752SS**  trans-8286.1163.6-166.858.4000110.8D130 G135D130-D133 PolarHBondContact O-N 3.05Å; D133-G135 PolarHBondContact O-N 2.95Å
134D66.6Low54.4Low144 Ų144148.5 Ų148.577%0.7776%0.759SS**  trans-59.63.3173.4-110.2-68.2000113.9D132 V136D132-D134 PolarHBondContact O-N 3.24Å; D132-D134 VanDerWaalsContact O-N 3.14Å; D134-V136 VanDerWaalsContact O-CG2 3.32Å; D134-V136 WeakPolarHBondContact O-CG2 3.1Å; D134-V136 PolarHBondContact O-N 3.06Å
135G61.7Low55.2Low57 Ų57150.2 Ų150.259%0.58877%0.766SS**  trans60.44.517100000115.8D133 R137D133-G135 PolarHBondContact O-N 2.95Å; G135-R137 PolarHBondContact O-N 3.42Å
136V62.7Low55.8Low115 Ų115150.3 Ų150.370%0.69776%0.764SS**  trans-87.690.3-179.5-171.60000109.7D134 H138D134-V136 VanDerWaalsContact O-CG2 3.32Å; D134-V136 WeakPolarHBondContact O-CG2 3.1Å; D134-V136 PolarHBondContact O-N 3.06Å; V136-H138 PolarHBondContact O-N 3.28Å
137R52.2Low56.9Low250 Ų250150.4 Ų150.494%0.94377%0.769SS**  trans-81.885.9151.9-77.4-170.5177.6-131.41.6109.8G135G135-R137 PolarHBondContact O-N 3.42Å
138H51Low57.9Low239 Ų239151.6 Ų151.6100%1.10677%0.772SS**  trans-159.10146.2-140.6116.3000112V136V136-H138 PolarHBondContact O-N 3.28Å

Retrieved 138 of 138 residues in 115.4 ms (Link to these results)

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