A0A077ZBV3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZBV3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 149 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
1M38.6Very low42Very low179 Ų17986.1 Ų86.188%0.88249%0.49SS*.  0116.20-166.9174.4-90.100106.1F3 E9M1-F3 HydrophobicContact CB-CE2 4.3Å; M1-F3 HydrophobicContact CG-CD2 4.49Å; M1-F3 HydrophobicContact CG-CE2 3.63Å; M1-F3 HydrophobicContact CG-CZ 3.68Å; M1-F3 HydrophobicContact SD-CE2 3.88Å; M1-F3 HydrophobicContact SD-CZ 3.51Å; M1-F3 VanDerWaalsContact SD-CZ 3.51Å; M1-E9 WeakPolarHBondContact CE-OE1 3.39Å; M1-E9 HydrophobicContact CG-CG 4.33Å
2T36.2Very low43.5Very low87 Ų8784 Ų8453%0.53448%0.476SS..  trans-111.1136.7-178.829.80000107.6V10T2-V10 VanDerWaalsContact O-CB 3.23Å; T2-V10 WeakPolarHBondContact O-CB 3.44Å; T2-V10 VanDerWaalsContact O-CG2 3.26Å; T2-V10 WeakPolarHBondContact O-CG2 3.26Å; T2-V10 PolarHBondContact O-N 3.22Å
3F36.4Very low44.7Very low117 Ų11788.6 Ų88.651%0.51348%0.482SS..BIsolated β-bridgetrans-114.4143.1179.4-66-89.6000108.8M1 G7 K8 E9M1-F3 HydrophobicContact CB-CE2 4.3Å; M1-F3 HydrophobicContact CG-CD2 4.49Å; M1-F3 HydrophobicContact CG-CE2 3.63Å; M1-F3 HydrophobicContact CG-CZ 3.68Å; M1-F3 HydrophobicContact SD-CE2 3.88Å; M1-F3 HydrophobicContact SD-CZ 3.51Å; M1-F3 VanDerWaalsContact SD-CZ 3.51Å; F3-G7 WeakPolarHBondContact CD1-O 3.34Å; F3-K8 CarbonylContact C-O 3.58Å; F3-K8 VanDerWaalsContact CA-O 3.25Å; F3-K8 WeakPolarHBondContact CA-O 3.32Å; F3-E9 HydrophobicContact CD1-CB 4.21Å; F3-E9 HydrophobicContact CE1-CB 4.03Å; F3-E9 HydrophobicContact CE1-CG 4.17Å
4E41.6Very low46Very low56 Ų5689.6 Ų89.626%0.26249%0.486SS..  trans-66.3159.7166.5-66.6-163.6163.100109.9D6 G7 K8 V10E4-D6 VanDerWaalsContact CB-OD1 3.31Å; E4-D6 WeakPolarHBondContact CB-OD1 3.39Å; E4-D6 PolarHBondContact O-N 2.92Å; E4-G7 PolarHBondContact O-N 2.77Å; E4-K8 PolarHBondContact N-O 3.18Å; E4-V10 HydrophobicContact CG-CG2 3.87Å
5P36.4Very low47.7Very low125 Ų12585.1 Ų85.181%0.81246%0.462SS*.THydrogen-bonded Turntrans-58.7-19.5180-24.233.6000114.8
6D45.8Very low49.3Very low77 Ų7780.2 Ų80.241%0.41244%0.435SS..THydrogen-bonded Turntrans-86.39.3174.466.6-6.3000113.3E4 K8E4-D6 VanDerWaalsContact CB-OD1 3.31Å; E4-D6 WeakPolarHBondContact CB-OD1 3.39Å; E4-D6 PolarHBondContact O-N 2.92Å; D6-K8 PolarHBondContact O-N 2.92Å; D6-K8 WeakPolarHBondContact OD1-CB 3.35Å; D6-K8 WeakPolarHBondContact OD1-CG 3.35Å; D6-K8 PolarHBondContact OD1-N 3.26Å; D6-K8 WeakPolarHBondContact OD2-CD 3.34Å; D6-K8 WeakPolarHBondContact OD2-CE 3.21Å; D6-K8 IonicContact OD2-NZ 3.27Å; D6-K8 PolarHBondContact OD2-NZ 2.84Å
7G41.8Very low50.9Low54 Ų5481.4 Ų81.456%0.55743%0.432SS*.SBendtrans78.53.3177.700000114F3 E4F3-G7 WeakPolarHBondContact CD1-O 3.34Å; E4-G7 PolarHBondContact O-N 2.77Å
8K42.3Very low52.3Low77 Ų7780.2 Ų80.234%0.33543%0.428SS..  trans-76141.9174.6-63.4-176.3-171.7169.40110.5F3 E4 D6 V10 D15F3-K8 CarbonylContact C-O 3.58Å; F3-K8 VanDerWaalsContact CA-O 3.25Å; F3-K8 WeakPolarHBondContact CA-O 3.32Å; E4-K8 PolarHBondContact N-O 3.18Å; D6-K8 PolarHBondContact O-N 2.92Å; D6-K8 WeakPolarHBondContact OD1-CB 3.35Å; D6-K8 WeakPolarHBondContact OD1-CG 3.35Å; D6-K8 PolarHBondContact OD1-N 3.26Å; D6-K8 WeakPolarHBondContact OD2-CD 3.34Å; D6-K8 WeakPolarHBondContact OD2-CE 3.21Å; D6-K8 IonicContact OD2-NZ 3.27Å; D6-K8 PolarHBondContact OD2-NZ 2.84Å; K8-V10 PolarHBondContact O-N 3.29Å; K8-D15 WeakPolarHBondContact CD-OD2 3.45Å; K8-D15 IonicContact NZ-OD1 3.14Å; K8-D15 PolarHBondContact NZ-OD1 2.89Å; K8-D15 IonicContact NZ-OD2 3.78Å
9E45Very low53.7Low98 Ų9880.3 Ų80.346%0.45843%0.429SS..BIsolated β-bridgetrans-63.7129.6175.4-162176.3-177.100108.5M1 F3 G11 D12M1-E9 WeakPolarHBondContact CE-OE1 3.39Å; M1-E9 HydrophobicContact CG-CG 4.33Å; F3-E9 HydrophobicContact CD1-CB 4.21Å; F3-E9 HydrophobicContact CE1-CB 4.03Å; F3-E9 HydrophobicContact CE1-CG 4.17Å; E9-G11 VanDerWaalsContact C-N 3.26Å; E9-G11 PolarHBondContact O-N 3.3Å; E9-D12 PolarHBondContact O-N 3.45Å
10V47.9Very low55Low39 Ų3977 Ų7724%0.23641%0.411CS..THydrogen-bonded Turntrans-61.297.9169.2177.80000106.1T2 E4 K8 L46 Y53T2-V10 VanDerWaalsContact O-CB 3.23Å; T2-V10 WeakPolarHBondContact O-CB 3.44Å; T2-V10 VanDerWaalsContact O-CG2 3.26Å; T2-V10 WeakPolarHBondContact O-CG2 3.26Å; T2-V10 PolarHBondContact O-N 3.22Å; E4-V10 HydrophobicContact CG-CG2 3.87Å; K8-V10 PolarHBondContact O-N 3.29Å; V10-L46 HydrophobicContact CG1-CD1 4.37Å; V10-L46 HydrophobicContact CG1-CD2 3.87Å; V10-Y53 WeakPolarHBondContact CG1-OH 3.48Å
11G50.4Low56.1Low38 Ų3876.7 Ų76.739%0.39241%0.408SS..THydrogen-bonded Turntrans1335-175.500000115.1E9 R13 Y53E9-G11 VanDerWaalsContact C-N 3.26Å; E9-G11 PolarHBondContact O-N 3.3Å; G11-R13 PolarHBondContact O-N 2.91Å; G11-Y53 WeakPolarHBondContact CA-OH 3.25Å; G11-Y53 PolarHBondContact N-OH 3.48Å
12D59.3Low58Low61 Ų6171.8 Ų71.833%0.32638%0.38SS..  trans-60.1114.6168.3-169.9-14000108.7E9 N14 D15 V16E9-D12 PolarHBondContact O-N 3.45Å; D12-N14 PolarHBondContact O-N 3.01Å; D12-N14 WeakPolarHBondContact OD1-CB 3.22Å; D12-N14 PolarHBondContact OD1-N 3.31Å; D12-N14 PolarHBondContact OD1-ND2 2.71Å; D12-N14 VanDerWaalsContact OD1-ND2 3.08Å; D12-D15 PolarHBondContact O-N 2.61Å; D12-V16 PolarHBondContact O-N 3.18Å
13R58.6Low60.1Low144 Ų14473.7 Ų73.754%0.54338%0.378SS..Hα-helixtrans-53.5-26.2179-171.5177.4178.9179.80.4111.8G11 R17 V41G11-R13 PolarHBondContact O-N 2.91Å; R13-R17 PolarHBondContact O-N 2.97Å; R13-R17 VanDerWaalsContact O-N 3.13Å; R13-V41 PolarHBondContact NH2-O 3.13Å
14N63.9Low62Low102 Ų10268.4 Ų68.455%0.54536%0.355SS..Hα-helixtrans-66.2-40.4174.6-66.5-47000112.6D12 R17 V18D12-N14 PolarHBondContact O-N 3.01Å; D12-N14 WeakPolarHBondContact OD1-CB 3.22Å; D12-N14 PolarHBondContact OD1-N 3.31Å; D12-N14 PolarHBondContact OD1-ND2 2.71Å; D12-N14 VanDerWaalsContact OD1-ND2 3.08Å; N14-R17 PolarHBondContact O-N 3.42Å; N14-V18 WeakPolarHBondContact O-CG2 3.31Å; N14-V18 PolarHBondContact O-N 3.27Å
15D70.5Confident63.7Low22 Ų2271 Ų7112%0.11836%0.364CS..Hα-helixtrans-67.4-43179.7-67.3-35.1000110.4K8 D12 R17 V18 D19K8-D15 WeakPolarHBondContact CD-OD2 3.45Å; K8-D15 IonicContact NZ-OD1 3.14Å; K8-D15 PolarHBondContact NZ-OD1 2.89Å; K8-D15 IonicContact NZ-OD2 3.78Å; D12-D15 PolarHBondContact O-N 2.61Å; D15-R17 VanDerWaalsContact C-N 3.29Å; D15-R17 PolarHBondContact O-N 2.65Å; D15-V18 PolarHBondContact O-N 2.91Å; D15-V18 VanDerWaalsContact O-N 3.12Å; D15-D19 PolarHBondContact O-N 2.91Å
16V73.3Confident65.6Low7 Ų772.9 Ų72.94%0.04236%0.359CS..Hα-helixtrans-58.3-42174178.60000111.5D12 D19 I20 A44 Y53 V55D12-V16 PolarHBondContact O-N 3.18Å; V16-D19 PolarHBondContact O-N 2.96Å; V16-I20 HydrophobicContact CG1-CD1 3.85Å; V16-I20 HydrophobicContact CG1-CG1 4.45Å; V16-I20 VanDerWaalsContact O-CG1 3.25Å; V16-I20 WeakPolarHBondContact O-CG1 3.33Å; V16-I20 PolarHBondContact O-N 3.13Å; V16-A44 HydrophobicContact CB-CB 4.39Å; V16-A44 HydrophobicContact CG1-CB 3.94Å; V16-A44 HydrophobicContact CG2-CB 4.41Å; V16-Y53 HydrophobicContact CG2-CD1 3.76Å; V16-Y53 HydrophobicContact CG2-CD2 4.33Å; V16-Y53 HydrophobicContact CG2-CE1 3.74Å; V16-Y53 HydrophobicContact CG2-CE2 4.3Å; V16-Y53 HydrophobicContact CG2-CG 4.07Å; V16-V55 HydrophobicContact CG1-CG1 3.56Å
17R76.4Confident67.2Low101 Ų10177.1 Ų77.138%0.38137%0.369SS..Hα-helixtrans-63-44.1177-179-179.3160.785.6-6.3111.3R13 N14 D15 I20 M21 L38 V41R13-R17 PolarHBondContact O-N 2.97Å; R13-R17 VanDerWaalsContact O-N 3.13Å; N14-R17 PolarHBondContact O-N 3.42Å; D15-R17 VanDerWaalsContact C-N 3.29Å; D15-R17 PolarHBondContact O-N 2.65Å; R17-I20 PolarHBondContact O-N 2.88Å; R17-M21 HydrophobicContact CG-CE 4.26Å; R17-M21 VanDerWaalsContact O-CG 3.31Å; R17-M21 WeakPolarHBondContact O-CG 3.46Å; R17-M21 PolarHBondContact O-N 3.04Å; R17-L38 HydrophobicContact CG-CD2 3.74Å; R17-V41 HydrophobicContact CB-CG2 4.42Å; R17-V41 HydrophobicContact CG-CG2 4.46Å
18V77.5Confident68.9Low60 Ų6080.1 Ų80.136%0.36437%0.367SS..Hα-helixtrans-62.7-43.4177.5170.70000110.7N14 D15 M21 R22N14-V18 WeakPolarHBondContact O-CG2 3.31Å; N14-V18 PolarHBondContact O-N 3.27Å; D15-V18 PolarHBondContact O-N 2.91Å; D15-V18 VanDerWaalsContact O-N 3.12Å; V18-M21 WeakPolarHBondContact O-CB 3.44Å; V18-M21 PolarHBondContact O-N 2.97Å; V18-R22 HydrophobicContact CG1-CG 4.42Å; V18-R22 WeakPolarHBondContact O-CB 3.4Å; V18-R22 WeakPolarHBondContact O-CG 3.33Å; V18-R22 PolarHBondContact O-N 3.01Å
19D78.6Confident70.8Confident82 Ų8278.8 Ų78.844%0.43936%0.363SS..Hα-helixtrans-64.7-43.1179.2-75.7-16.4000112.5D15 V16 M21 R22 Y23D15-D19 PolarHBondContact O-N 2.91Å; V16-D19 PolarHBondContact O-N 2.96Å; D19-M21 PolarHBondContact O-N 3.01Å; D19-R22 PolarHBondContact O-N 2.64Å; D19-Y23 WeakPolarHBondContact O-CB 3.35Å; D19-Y23 PolarHBondContact O-N 3.41Å
20I79.2Confident72.6Confident14 Ų1477.5 Ų77.57%0.07236%0.362CS..Hα-helixtrans-61.1-45.9173.9-65.8164.3000110.1V16 R17 R22 Y23 V24 L38 V41 V55 F57V16-I20 HydrophobicContact CG1-CD1 3.85Å; V16-I20 HydrophobicContact CG1-CG1 4.45Å; V16-I20 VanDerWaalsContact O-CG1 3.25Å; V16-I20 WeakPolarHBondContact O-CG1 3.33Å; V16-I20 PolarHBondContact O-N 3.13Å; R17-I20 PolarHBondContact O-N 2.88Å; I20-R22 PolarHBondContact O-N 3.37Å; I20-Y23 PolarHBondContact O-N 3.31Å; I20-V24 HydrophobicContact CG2-CG2 4.11Å; I20-V24 WeakPolarHBondContact O-CB 3.43Å; I20-V24 WeakPolarHBondContact O-CG2 3.39Å; I20-V24 PolarHBondContact O-N 3.08Å; I20-L38 HydrophobicContact CB-CD2 3.99Å; I20-L38 HydrophobicContact CG2-CD1 3.8Å; I20-L38 HydrophobicContact CG2-CD2 3.81Å; I20-L38 HydrophobicContact CG2-CG 4.33Å; I20-V41 HydrophobicContact CD1-CG1 4.43Å; I20-V41 HydrophobicContact CD1-CG2 3.92Å; I20-V55 HydrophobicContact CD1-CB 4.33Å; I20-V55 HydrophobicContact CD1-CG1 4.46Å; I20-V55 HydrophobicContact CD1-CG2 4.32Å; I20-F57 HydrophobicContact CD1-CB 4.46Å; I20-F57 HydrophobicContact CD1-CD1 3.91Å; I20-F57 HydrophobicContact CD1-CE1 4.47Å; I20-F57 HydrophobicContact CD1-CG 4.3Å; I20-F57 HydrophobicContact CG1-CD1 4.48Å; I20-F57 HydrophobicContact CG2-CD1 4.36Å; I20-F57 HydrophobicContact CG2-CD2 4.09Å; I20-F57 HydrophobicContact CG2-CE1 4.42Å; I20-F57 HydrophobicContact CG2-CE2 4.15Å; I20-F57 HydrophobicContact CG2-CG 4.2Å; I20-F57 HydrophobicContact CG2-CZ 4.32Å
21M78.9Confident74.3Confident71 Ų7177.5 Ų77.535%0.3536%0.362SS..Hα-helixtrans-58.6-47.1177.6-76-177.9168.200112R17 V18 D19 Y23 V24 Y25 L38R17-M21 HydrophobicContact CG-CE 4.26Å; R17-M21 VanDerWaalsContact O-CG 3.31Å; R17-M21 WeakPolarHBondContact O-CG 3.46Å; R17-M21 PolarHBondContact O-N 3.04Å; V18-M21 WeakPolarHBondContact O-CB 3.44Å; V18-M21 PolarHBondContact O-N 2.97Å; D19-M21 PolarHBondContact O-N 3.01Å; M21-Y23 VanDerWaalsContact C-N 3.32Å; M21-Y23 PolarHBondContact O-N 2.82Å; M21-V24 PolarHBondContact O-N 3.34Å; M21-Y25 VanDerWaalsContact O-CB 3.25Å; M21-Y25 WeakPolarHBondContact O-CB 3.46Å; M21-Y25 PolarHBondContact O-N 2.81Å; M21-L38 HydrophobicContact CE-CB 4.09Å; M21-L38 HydrophobicContact CE-CD2 4.16Å; M21-L38 HydrophobicContact CE-CG 4.49Å; M21-L38 HydrophobicContact CG-CB 3.93Å; M21-L38 HydrophobicContact CG-CD2 3.69Å; M21-L38 HydrophobicContact CG-CG 4.47Å
22R78.9Confident76.2Confident75 Ų7582.4 Ų82.428%0.28338%0.379SS..Hα-helixtrans-60.4-43176.6-75.2174.6176.5178.5-4111.2V18 D19 I20 Y25 K26 D78V18-R22 HydrophobicContact CG1-CG 4.42Å; V18-R22 WeakPolarHBondContact O-CB 3.4Å; V18-R22 WeakPolarHBondContact O-CG 3.33Å; V18-R22 PolarHBondContact O-N 3.01Å; D19-R22 PolarHBondContact O-N 2.64Å; I20-R22 PolarHBondContact O-N 3.37Å; R22-Y25 PolarHBondContact O-N 2.77Å; R22-K26 WeakPolarHBondContact O-CB 3.03Å; R22-K26 PolarHBondContact O-N 3.4Å; R22-D78 IonicContact CZ-OD1 2.75Å; R22-D78 IonicContact NE-OD2 3.81Å; R22-D78 VanDerWaalsContact NH2-CG 3.35Å; R22-D78 IonicContact NH2-OD1 3.97Å; R22-D78 PolarHBondContact NH2-OD1 2.82Å; R22-D78 IonicContact NH2-OD2 3.88Å
23Y79.2Confident77.4Confident127 Ų12781.6 Ų81.650%0.49839%0.385SS..Hα-helixtrans-62.2-51177.3-179.9-92.4000112D19 I20 M21 Y25 K26 R27 I29D19-Y23 WeakPolarHBondContact O-CB 3.35Å; D19-Y23 PolarHBondContact O-N 3.41Å; I20-Y23 PolarHBondContact O-N 3.31Å; M21-Y23 VanDerWaalsContact C-N 3.32Å; M21-Y23 PolarHBondContact O-N 2.82Å; Y23-Y25 VanDerWaalsContact C-N 3.26Å; Y23-Y25 PolarHBondContact O-N 3.42Å; Y23-K26 PolarHBondContact O-N 3.12Å; Y23-R27 HydrophobicContact CD1-CG 4.31Å; Y23-R27 HydrophobicContact CD2-CG 4.16Å; Y23-R27 HydrophobicContact CE1-CG 3.97Å; Y23-R27 HydrophobicContact CE2-CG 3.83Å; Y23-R27 HydrophobicContact CG-CG 4.4Å; Y23-R27 VanDerWaalsContact O-CB 3.3Å; Y23-R27 WeakPolarHBondContact O-CB 3.25Å; Y23-R27 WeakPolarHBondContact O-CG 3.24Å; Y23-R27 PolarHBondContact O-N 3.31Å; Y23-I29 HydrophobicContact CD1-CD1 4.16Å; Y23-I29 HydrophobicContact CE1-CD1 3.92Å
24V77.2Confident78.6Confident6 Ų678.3 Ų78.34%0.03637%0.373CS..Hα-helixtrans-55.2-45.6178.9169.20000110.7I20 M21 K28 I29 A36 L59I20-V24 HydrophobicContact CG2-CG2 4.11Å; I20-V24 WeakPolarHBondContact O-CB 3.43Å; I20-V24 WeakPolarHBondContact O-CG2 3.39Å; I20-V24 PolarHBondContact O-N 3.08Å; M21-V24 PolarHBondContact O-N 3.34Å; V24-K28 PolarHBondContact O-N 2.8Å; V24-I29 HydrophobicContact CB-CD1 4.49Å; V24-I29 HydrophobicContact CG1-CB 4.26Å; V24-I29 HydrophobicContact CG2-CD1 4.23Å; V24-I29 PolarHBondContact O-N 3.33Å; V24-A36 HydrophobicContact CG1-CB 3.72Å; V24-A36 WeakPolarHBondContact CG1-O 3.26Å; V24-L59 HydrophobicContact CG1-CD2 4.35Å; V24-L59 HydrophobicContact CG2-CD1 4.07Å; V24-L59 HydrophobicContact CG2-CD2 3.64Å
25Y76.1Confident79.6Confident111 Ų11175.6 Ų75.644%0.43536%0.356SS..Hα-helixtrans-68.9-49.9179.4176.9-95.2000112.8M21 R22 Y23 R27 K28 L72M21-Y25 VanDerWaalsContact O-CB 3.25Å; M21-Y25 WeakPolarHBondContact O-CB 3.46Å; M21-Y25 PolarHBondContact O-N 2.81Å; R22-Y25 PolarHBondContact O-N 2.77Å; Y23-Y25 VanDerWaalsContact C-N 3.26Å; Y23-Y25 PolarHBondContact O-N 3.42Å; Y25-R27 VanDerWaalsContact C-N 3.29Å; Y25-R27 PolarHBondContact O-N 2.89Å; Y25-K28 PolarHBondContact O-N 2.87Å; Y25-L72 HydrophobicContact CD1-CD1 4.46Å; Y25-L72 HydrophobicContact CE1-CD1 3.45Å; Y25-L72 VanDerWaalsContact CE1-CD1 3.45Å; Y25-L72 HydrophobicContact CE1-CD2 4.36Å; Y25-L72 HydrophobicContact CE1-CG 4.3Å; Y25-L72 HydrophobicContact CE2-CD1 4Å; Y25-L72 HydrophobicContact CE2-CD2 3.38Å; Y25-L72 HydrophobicContact CE2-CG 4.19Å; Y25-L72 WeakPolarHBondContact OH-CB 3.29Å; Y25-L72 WeakPolarHBondContact OH-CD1 3.49Å; Y25-L72 WeakPolarHBondContact OH-CD2 3.17Å; Y25-L72 WeakPolarHBondContact OH-CG 3.25Å
26K77Confident80.4Confident164 Ų16475.2 Ų75.271%0.71336%0.356SS*.Hα-helixtrans-60.8-38.4179.8-176.8175.2-177.8174.30111.8R22 Y23 K28R22-K26 WeakPolarHBondContact O-CB 3.03Å; R22-K26 PolarHBondContact O-N 3.4Å; Y23-K26 PolarHBondContact O-N 3.12Å; K26-K28 PolarHBondContact O-N 3Å
27R78.6Confident81Confident166 Ų16680.2 Ų80.263%0.62637%0.374SS*.THydrogen-bonded Turntrans-80.6-2.5177.2-67.9-64.4-174.5177.50.1113.6Y23 Y25 I29Y23-R27 HydrophobicContact CD1-CG 4.31Å; Y23-R27 HydrophobicContact CD2-CG 4.16Å; Y23-R27 HydrophobicContact CE1-CG 3.97Å; Y23-R27 HydrophobicContact CE2-CG 3.83Å; Y23-R27 HydrophobicContact CG-CG 4.4Å; Y23-R27 VanDerWaalsContact O-CB 3.3Å; Y23-R27 WeakPolarHBondContact O-CB 3.25Å; Y23-R27 WeakPolarHBondContact O-CG 3.24Å; Y23-R27 PolarHBondContact O-N 3.31Å; Y25-R27 VanDerWaalsContact C-N 3.29Å; Y25-R27 PolarHBondContact O-N 2.89Å; R27-I29 HydrophobicContact CB-CD1 4.29Å; R27-I29 HydrophobicContact CB-CG1 3.76Å; R27-I29 PolarHBondContact O-N 3.29Å
28K78.8Confident81.4Confident117 Ų11776 Ų7651%0.50936%0.359SS..THydrogen-bonded Turntrans49.842-177.3-62.4-178.5179.11780111.3V24 Y25 K26 T30 Y35V24-K28 PolarHBondContact O-N 2.8Å; Y25-K28 PolarHBondContact O-N 2.87Å; K26-K28 PolarHBondContact O-N 3Å; K28-T30 PolarHBondContact O-N 3.49Å; K28-Y35 HydrophobicContact CB-CE1 4.09Å; K28-Y35 HydrophobicContact CG-CE1 4.34Å
29I80.6Confident81.8Confident50 Ų5075.1 Ų75.126%0.25636%0.355SS..  trans-61.6139.2-178.9-57.7-175.8000108.5Y23 V24 R27 A36 L59Y23-I29 HydrophobicContact CD1-CD1 4.16Å; Y23-I29 HydrophobicContact CE1-CD1 3.92Å; V24-I29 HydrophobicContact CB-CD1 4.49Å; V24-I29 HydrophobicContact CG1-CB 4.26Å; V24-I29 HydrophobicContact CG2-CD1 4.23Å; V24-I29 PolarHBondContact O-N 3.33Å; R27-I29 HydrophobicContact CB-CD1 4.29Å; R27-I29 HydrophobicContact CB-CG1 3.76Å; R27-I29 PolarHBondContact O-N 3.29Å; I29-A36 HydrophobicContact CB-CB 4.06Å; I29-A36 HydrophobicContact CG2-CB 3.87Å; I29-A36 WeakPolarHBondContact O-CB 3.28Å; I29-A36 PolarHBondContact O-N 2.88Å; I29-L59 HydrophobicContact CD1-CD1 4.43Å; I29-L59 HydrophobicContact CG2-CD1 3.93Å
30T84.7Confident82Confident71 Ų7174.8 Ų74.844%0.43635%0.353SS..EExtended strand (participates in β ladder)trans-122.4147.1179.160.70000111.1K28 Y34 A66K28-T30 PolarHBondContact O-N 3.49Å; T30-Y34 CarbonylContact C-O 3.54Å; T30-Y34 WeakPolarHBondContact CA-O 3.19Å; T30-Y34 VanDerWaalsContact CB-O 3.28Å; T30-Y34 WeakPolarHBondContact CB-O 3.43Å; T30-A66 HydrophobicContact CG2-CB 3.43Å; T30-A66 VanDerWaalsContact CG2-CB 3.43Å
31V83.1Confident82.1Confident38 Ų3874.4 Ų74.423%0.2335%0.351CS..EExtended strand (participates in β ladder)trans-124.9121.3169178.90000105.7G33 Y34 A36 L59 A61V31-G33 PolarHBondContact O-N 3Å; V31-G33 VanDerWaalsContact O-N 3.13Å; V31-Y34 PolarHBondContact N-O 3.49Å; V31-Y34 PolarHBondContact O-N 3.39Å; V31-A36 HydrophobicContact CG2-CB 3.97Å; V31-L59 HydrophobicContact CG2-CB 4.21Å; V31-A61 HydrophobicContact CB-CB 4.39Å; V31-A61 HydrophobicContact CG1-CB 4.39Å
32D89.2Confident82.2Confident142 Ų14274.5 Ų74.576%0.75936%0.356SS*.THydrogen-bonded Turntrans52.535.6179.3-55.4-33.4000115Y34D32-Y34 VanDerWaalsContact C-N 3.28Å; D32-Y34 VanDerWaalsContact O-CD2 3.24Å; D32-Y34 WeakPolarHBondContact O-CD2 3.37Å; D32-Y34 PolarHBondContact O-N 2.98Å
33G84.4Confident82.1Confident44 Ų4473.2 Ų73.245%0.45435%0.353SS..THydrogen-bonded Turntrans79.44.1-18000000115V31 A66V31-G33 PolarHBondContact O-N 3Å; V31-G33 VanDerWaalsContact O-N 3.13Å; G33-A66 WeakPolarHBondContact O-CB 3.16Å; G33-A66 PolarHBondContact O-N 3.23Å
34Y84.4Confident81.9Confident75 Ų7568.6 Ų68.629%0.29434%0.341SS..EExtended strand (participates in β ladder)trans-105.7151.4170.8-63.2-96.8000109.9T30 V31 D32 A36 A61 S62 C64 R65T30-Y34 CarbonylContact C-O 3.54Å; T30-Y34 WeakPolarHBondContact CA-O 3.19Å; T30-Y34 VanDerWaalsContact CB-O 3.28Å; T30-Y34 WeakPolarHBondContact CB-O 3.43Å; V31-Y34 PolarHBondContact N-O 3.49Å; V31-Y34 PolarHBondContact O-N 3.39Å; D32-Y34 VanDerWaalsContact C-N 3.28Å; D32-Y34 VanDerWaalsContact O-CD2 3.24Å; D32-Y34 WeakPolarHBondContact O-CD2 3.37Å; D32-Y34 PolarHBondContact O-N 2.98Å; Y34-A36 PolarHBondContact O-N 2.83Å; Y34-A61 HydrophobicContact CD2-CB 4.44Å; Y34-A61 HydrophobicContact CG-CB 4.41Å; Y34-S62 WeakPolarHBondContact CB-O 2.91Å; Y34-S62 WeakPolarHBondContact CD1-O 3.16Å; Y34-C64 CarbonylContact C-O 3.56Å; Y34-C64 VanDerWaalsContact CA-O 3.29Å; Y34-C64 WeakPolarHBondContact CA-O 3.44Å; Y34-R65 HydrophobicContact CD1-CG 3.9Å; Y34-R65 HydrophobicContact CE1-CB 4.49Å; Y34-R65 HydrophobicContact CE1-CG 3.43Å; Y34-R65 VanDerWaalsContact CE1-CG 3.43Å
35Y85.4Confident81.7Confident45 Ų4576.2 Ų76.218%0.17637%0.369CS..EExtended strand (participates in β ladder)trans-57.5136.7171.1-74.9-69.9000109.7K28 S62 C64 A66 V70K28-Y35 HydrophobicContact CB-CE1 4.09Å; K28-Y35 HydrophobicContact CG-CE1 4.34Å; Y35-S62 WeakPolarHBondContact O-CA 3.39Å; Y35-S62 WeakPolarHBondContact O-CB 3.1Å; Y35-S62 PolarHBondContact O-N 2.99Å; Y35-S62 PolarHBondContact O-OG 3.45Å; Y35-C64 HydrophobicContact CD2-CB 3.87Å; Y35-C64 PolarHBondContact N-O 3.25Å; Y35-A66 PolarHBondContact OH-O 3.22Å; Y35-V70 HydrophobicContact CD2-CG2 3.87Å; Y35-V70 HydrophobicContact CE2-CG2 3.31Å
36A86Confident81.3Confident14 Ų1473.2 Ų73.212%0.11636%0.36CS..EExtended strand (participates in β ladder)trans-70.5140.3177.600000110.5V24 I29 V31 Y34 L59 E60V24-A36 HydrophobicContact CG1-CB 3.72Å; V24-A36 WeakPolarHBondContact CG1-O 3.26Å; I29-A36 HydrophobicContact CB-CB 4.06Å; I29-A36 HydrophobicContact CG2-CB 3.87Å; I29-A36 WeakPolarHBondContact O-CB 3.28Å; I29-A36 PolarHBondContact O-N 2.88Å; V31-A36 HydrophobicContact CG2-CB 3.97Å; Y34-A36 PolarHBondContact O-N 2.83Å; A36-L59 HydrophobicContact CB-CB 4.26Å; A36-L59 HydrophobicContact CB-CD1 4.06Å; A36-E60 CarbonylContact C-O 3.58Å; A36-E60 WeakPolarHBondContact CA-O 3.16Å
37R86.2Confident80.8Confident112 Ų11267.8 Ų67.842%0.42334%0.339SS..EExtended strand (participates in β ladder)trans-115.5140.7166.464.2175.7177.591.6-2.7109.8S39 L59 E60 A61R37-S39 PolarHBondContact O-N 2.86Å; R37-L59 WeakPolarHBondContact O-CA 3.23Å; R37-E60 HydrophobicContact CG-CB 4.24Å; R37-E60 WeakPolarHBondContact CG-O 3.38Å; R37-E60 IonicContact CZ-OE2 3.49Å; R37-E60 PolarHBondContact N-O 3.4Å; R37-E60 IonicContact NH1-OE2 3.86Å; R37-E60 PolarHBondContact NH1-OE2 3.34Å; R37-E60 IonicContact NH2-OE2 2.81Å; R37-E60 PolarHBondContact NH2-OE2 2.89Å; R37-E60 PolarHBondContact O-N 2.86Å; R37-A61 PolarHBondContact NE-O 3.47Å
38L84.6Confident80.5Confident13 Ų1366.3 Ų66.37%0.06834%0.343CS..EExtended strand (participates in β ladder)trans-70.7109.5171-178.661.3000109.3R17 I20 M21 V41 F57 L59R17-L38 HydrophobicContact CG-CD2 3.74Å; I20-L38 HydrophobicContact CB-CD2 3.99Å; I20-L38 HydrophobicContact CG2-CD1 3.8Å; I20-L38 HydrophobicContact CG2-CD2 3.81Å; I20-L38 HydrophobicContact CG2-CG 4.33Å; M21-L38 HydrophobicContact CE-CB 4.09Å; M21-L38 HydrophobicContact CE-CD2 4.16Å; M21-L38 HydrophobicContact CE-CG 4.49Å; M21-L38 HydrophobicContact CG-CB 3.93Å; M21-L38 HydrophobicContact CG-CD2 3.69Å; M21-L38 HydrophobicContact CG-CG 4.47Å; L38-V41 HydrophobicContact CD1-CG2 4.08Å; L38-V41 HydrophobicContact CD2-CG2 3.84Å; L38-V41 HydrophobicContact CG-CG2 4.31Å; L38-F57 HydrophobicContact CD1-CB 3.75Å; L38-F57 HydrophobicContact CD1-CD2 3.96Å; L38-F57 HydrophobicContact CD1-CG 4.15Å; L38-L59 HydrophobicContact CB-CD2 4.4Å; L38-L59 HydrophobicContact CD1-CD2 4.14Å
39S86.2Confident80.2Confident41 Ų4171.7 Ų71.729%0.28736%0.36SS..EExtended strand (participates in β ladder)trans-81.2-53178.3-173.20000110.2R37 T58 E60R37-S39 PolarHBondContact O-N 2.86Å; S39-T58 PolarHBondContact N-O 3.06Å; S39-E60 VanDerWaalsContact CB-CD 3.41Å; S39-E60 WeakPolarHBondContact CB-OE1 3.3Å; S39-E60 PolarHBondContact OG-OE1 2.83Å; S39-E60 PolarHBondContact OG-OE2 3.32Å
40N84.2Confident80Confident75 Ų7574.9 Ų74.940%0.40138%0.378SS..EExtended strand (participates in β ladder)trans-146.8152.1-176.4-165.810.4000111.9F57 T58N40-F57 CarbonylContact O-C 3.58Å; N40-F57 WeakPolarHBondContact O-CA 3.35Å; N40-F57 VanDerWaalsContact O-CB 3.25Å; N40-F57 WeakPolarHBondContact O-CB 3.2Å; N40-T58 PolarHBondContact O-N 2.97Å
41V79.6Confident79.3Confident5 Ų578.6 Ų78.63%0.0339%0.393CS..EExtended strand (participates in β ladder)trans-116.4101.1165.2-179.30000106.2R13 R17 I20 L38 F43 A44 E56 F57R13-V41 PolarHBondContact NH2-O 3.13Å; R17-V41 HydrophobicContact CB-CG2 4.42Å; R17-V41 HydrophobicContact CG-CG2 4.46Å; I20-V41 HydrophobicContact CD1-CG1 4.43Å; I20-V41 HydrophobicContact CD1-CG2 3.92Å; L38-V41 HydrophobicContact CD1-CG2 4.08Å; L38-V41 HydrophobicContact CD2-CG2 3.84Å; L38-V41 HydrophobicContact CG-CG2 4.31Å; V41-F43 WeakPolarHBondContact CG1-O 3.19Å; V41-A44 HydrophobicContact CG1-CB 4.17Å; V41-E56 CarbonylContact C-O 3.47Å; V41-F57 HydrophobicContact CG2-CB 4.25Å
42T82Confident78.6Confident74 Ų7479.2 Ų79.245%0.45440%0.399SS..EExtended strand (participates in β ladder)trans-77.4-31.1-176.945.80000111.6E56T42-E56 PolarHBondContact N-O 2.87Å; T42-E56 WeakPolarHBondContact OG1-CB 3.34Å; T42-E56 PolarHBondContact OG1-O 2.9Å
43F75.7Confident77.5Confident47 Ų4776 Ų7621%0.20638%0.377CS..EExtended strand (participates in β ladder)trans-142.8136.4-177.2-178.6-95.3000110.2V41 R45 E54 V55 E56V41-F43 WeakPolarHBondContact CG1-O 3.19Å; F43-R45 HydrophobicContact CD2-CG 4.31Å; F43-R45 HydrophobicContact CE1-CB 3.9Å; F43-R45 HydrophobicContact CE1-CG 3.96Å; F43-R45 HydrophobicContact CE2-CB 4.42Å; F43-R45 VanDerWaalsContact CE2-CD 3.43Å; F43-R45 HydrophobicContact CE2-CG 3.62Å; F43-R45 VanDerWaalsContact CE2-NE 3.34Å; F43-R45 HydrophobicContact CZ-CB 3.74Å; F43-R45 HydrophobicContact CZ-CG 3.44Å; F43-R45 VanDerWaalsContact CZ-CG 3.44Å; F43-E54 HydrophobicContact CD1-CG 4.43Å; F43-E54 VanDerWaalsContact CD1-O 3.32Å; F43-E54 WeakPolarHBondContact CD1-O 3.49Å; F43-E54 HydrophobicContact CE1-CB 3.92Å; F43-E54 HydrophobicContact CE1-CG 3.75Å; F43-E54 WeakPolarHBondContact CE1-O 3.25Å; F43-V55 CarbonylContact O-C 3.54Å; F43-V55 VanDerWaalsContact O-CA 3.26Å; F43-V55 WeakPolarHBondContact O-CA 3.34Å; F43-E56 HydrophobicContact CB-CB 3.84Å; F43-E56 HydrophobicContact CB-CG 4.01Å; F43-E56 HydrophobicContact CD1-CG 4.43Å; F43-E56 PolarHBondContact N-O 3.15Å; F43-E56 PolarHBondContact O-N 2.84Å
44A75.1Confident77Confident31 Ų3179.6 Ų79.626%0.25638%0.382SS..EExtended strand (participates in β ladder)trans-149115.8168.200000107.7V16 V41 E54 V55V16-A44 HydrophobicContact CB-CB 4.39Å; V16-A44 HydrophobicContact CG1-CB 3.94Å; V16-A44 HydrophobicContact CG2-CB 4.41Å; V41-A44 HydrophobicContact CG1-CB 4.17Å; A44-E54 CarbonylContact C-O 3.52Å; A44-E54 WeakPolarHBondContact CA-O 3.37Å; A44-V55 HydrophobicContact CB-CG1 4.09Å
45R73.1Confident76.7Confident166 Ų16678.2 Ų78.263%0.62638%0.382SS*.EExtended strand (participates in β ladder)trans-136136.3175.8-70.3-166-177.2157.8-2.2110.6F43 N47 Y53 E54F43-R45 HydrophobicContact CD2-CG 4.31Å; F43-R45 HydrophobicContact CE1-CB 3.9Å; F43-R45 HydrophobicContact CE1-CG 3.96Å; F43-R45 HydrophobicContact CE2-CB 4.42Å; F43-R45 VanDerWaalsContact CE2-CD 3.43Å; F43-R45 HydrophobicContact CE2-CG 3.62Å; F43-R45 VanDerWaalsContact CE2-NE 3.34Å; F43-R45 HydrophobicContact CZ-CB 3.74Å; F43-R45 HydrophobicContact CZ-CG 3.44Å; F43-R45 VanDerWaalsContact CZ-CG 3.44Å; R45-N47 PolarHBondContact O-N 3.39Å; R45-Y53 CarbonylContact O-C 3.6Å; R45-Y53 WeakPolarHBondContact O-CA 3.38Å; R45-E54 PolarHBondContact N-O 3.47Å; R45-E54 PolarHBondContact O-N 3.27Å
46L68.8Low76.5Confident47 Ų4781.8 Ų81.825%0.24640%0.4CS..EExtended strand (participates in β ladder)trans-72.1114.7170.1-175.468.7000109V10 L48 S52 Y53V10-L46 HydrophobicContact CG1-CD1 4.37Å; V10-L46 HydrophobicContact CG1-CD2 3.87Å; L46-L48 HydrophobicContact CD2-CD2 3.56Å; L46-L48 HydrophobicContact CD2-CG 4.45Å; L46-L48 HydrophobicContact CG-CD2 4.1Å; L46-L48 PolarHBondContact O-N 3.46Å; L46-S52 CarbonylContact C-O 3.54Å; L46-Y53 HydrophobicContact CB-CD1 4.29Å; L46-Y53 HydrophobicContact CB-CE1 3.99Å; L46-Y53 HydrophobicContact CD1-CD1 4.44Å; L46-Y53 HydrophobicContact CD1-CE1 4.17Å; L46-Y53 HydrophobicContact CD1-CE2 4.27Å
47N65.1Low76.5Confident50 Ų5085 Ų8527%0.26741%0.412SS..EExtended strand (participates in β ladder)trans-77.5101.6164178.7-1.6000108.5R45 R49 D50 I51 S52R45-N47 PolarHBondContact O-N 3.39Å; N47-R49 PolarHBondContact O-N 3.49Å; N47-R49 WeakPolarHBondContact OD1-CB 3.36Å; N47-R49 PolarHBondContact OD1-N 3.4Å; N47-D50 PolarHBondContact ND2-OD2 3Å; N47-D50 PolarHBondContact O-N 2.81Å; N47-I51 WeakPolarHBondContact O-CA 3.31Å; N47-I51 PolarHBondContact O-N 2.88Å; N47-S52 PolarHBondContact N-O 2.89Å; N47-S52 PolarHBondContact O-N 3.35Å
48L72.9Confident76.4Confident136 Ų13682.9 Ų82.971%0.71241%0.411SS*.THydrogen-bonded Turntrans-67.4-18.4179.5-69.1173.1000113.9L46L46-L48 HydrophobicContact CD2-CD2 3.56Å; L46-L48 HydrophobicContact CD2-CG 4.45Å; L46-L48 HydrophobicContact CG-CD2 4.1Å; L46-L48 PolarHBondContact O-N 3.46Å
49R73.5Confident76.6Confident229 Ų22984.3 Ų84.386%0.86442%0.418SS*.THydrogen-bonded Turntrans-70.6-39.7178.9-65.5-176.1174.4-173-1.1111.3N47N47-R49 PolarHBondContact O-N 3.49Å; N47-R49 WeakPolarHBondContact OD1-CB 3.36Å; N47-R49 PolarHBondContact OD1-N 3.4Å
50D75.9Confident76.6Confident117 Ų11785.6 Ų85.663%0.62642%0.42SS*.THydrogen-bonded Turntrans-115.64.1-174.5-52.8-50.5000113.2N47 S52N47-D50 PolarHBondContact ND2-OD2 3Å; N47-D50 PolarHBondContact O-N 2.81Å; D50-S52 VanDerWaalsContact C-N 3.32Å; D50-S52 PolarHBondContact O-N 3.33Å
51I70.1Confident76.8Confident149 Ų14983.6 Ų83.676%0.76441%0.414SS*.THydrogen-bonded Turntrans49.453.8-176-45.2178.5000110.6N47N47-I51 WeakPolarHBondContact O-CA 3.31Å; N47-I51 PolarHBondContact O-N 2.88Å
52S67.7Low77Confident51 Ų5184.3 Ų84.336%0.35742%0.419SS..EExtended strand (participates in β ladder)trans-134157.5-179.759.80000111L46 N47 D50L46-S52 CarbonylContact C-O 3.54Å; N47-S52 PolarHBondContact N-O 2.89Å; N47-S52 PolarHBondContact O-N 3.35Å; D50-S52 VanDerWaalsContact C-N 3.32Å; D50-S52 PolarHBondContact O-N 3.33Å
53Y67.2Low77Confident74 Ų7488.5 Ų88.529%0.2944%0.439SS..EExtended strand (participates in β ladder)trans-93.3120.6170-73.2-81.4000110.1V10 G11 V16 R45 L46V10-Y53 WeakPolarHBondContact CG1-OH 3.48Å; G11-Y53 WeakPolarHBondContact CA-OH 3.25Å; G11-Y53 PolarHBondContact N-OH 3.48Å; V16-Y53 HydrophobicContact CG2-CD1 3.76Å; V16-Y53 HydrophobicContact CG2-CD2 4.33Å; V16-Y53 HydrophobicContact CG2-CE1 3.74Å; V16-Y53 HydrophobicContact CG2-CE2 4.3Å; V16-Y53 HydrophobicContact CG2-CG 4.07Å; R45-Y53 CarbonylContact O-C 3.6Å; R45-Y53 WeakPolarHBondContact O-CA 3.38Å; L46-Y53 HydrophobicContact CB-CD1 4.29Å; L46-Y53 HydrophobicContact CB-CE1 3.99Å; L46-Y53 HydrophobicContact CD1-CD1 4.44Å; L46-Y53 HydrophobicContact CD1-CE1 4.17Å; L46-Y53 HydrophobicContact CD1-CE2 4.27Å
54E73.8Confident77.1Confident120 Ų12089.3 Ų89.356%0.56145%0.449SS*.EExtended strand (participates in β ladder)trans-81.8119.9162.3-171.8-179.6-158.300107.6F43 A44 R45F43-E54 HydrophobicContact CD1-CG 4.43Å; F43-E54 VanDerWaalsContact CD1-O 3.32Å; F43-E54 WeakPolarHBondContact CD1-O 3.49Å; F43-E54 HydrophobicContact CE1-CB 3.92Å; F43-E54 HydrophobicContact CE1-CG 3.75Å; F43-E54 WeakPolarHBondContact CE1-O 3.25Å; A44-E54 CarbonylContact C-O 3.52Å; A44-E54 WeakPolarHBondContact CA-O 3.37Å; R45-E54 PolarHBondContact N-O 3.47Å; R45-E54 PolarHBondContact O-N 3.27Å
55V78.7Confident77.4Confident47 Ų4794.5 Ų94.529%0.28546%0.462SS..EExtended strand (participates in β ladder)trans-131.8138.2-173.4-62.70000110.9V16 I20 F43 A44 F57V16-V55 HydrophobicContact CG1-CG1 3.56Å; I20-V55 HydrophobicContact CD1-CB 4.33Å; I20-V55 HydrophobicContact CD1-CG1 4.46Å; I20-V55 HydrophobicContact CD1-CG2 4.32Å; F43-V55 CarbonylContact O-C 3.54Å; F43-V55 VanDerWaalsContact O-CA 3.26Å; F43-V55 WeakPolarHBondContact O-CA 3.34Å; A44-V55 HydrophobicContact CB-CG1 4.09Å; V55-F57 HydrophobicContact CB-CD1 4.37Å; V55-F57 HydrophobicContact CG2-CD1 3.89Å; V55-F57 HydrophobicContact CG2-CE1 3.9Å
56E80.2Confident77.6Confident119 Ų11988.2 Ų88.256%0.55645%0.445SS*.EExtended strand (participates in β ladder)trans-117130.9165.1-60.2-177.816600108.6V41 T42 F43V41-E56 CarbonylContact C-O 3.47Å; T42-E56 PolarHBondContact N-O 2.87Å; T42-E56 WeakPolarHBondContact OG1-CB 3.34Å; T42-E56 PolarHBondContact OG1-O 2.9Å; F43-E56 HydrophobicContact CB-CB 3.84Å; F43-E56 HydrophobicContact CB-CG 4.01Å; F43-E56 HydrophobicContact CD1-CG 4.43Å; F43-E56 PolarHBondContact N-O 3.15Å; F43-E56 PolarHBondContact O-N 2.84Å
57F85.6Confident77.6Confident83 Ų8392.3 Ų92.336%0.36447%0.468SS..EExtended strand (participates in β ladder)trans-149.5159.5-177.561.1-92.1000111.7I20 L38 N40 V41 V55 L59I20-F57 HydrophobicContact CD1-CB 4.46Å; I20-F57 HydrophobicContact CD1-CD1 3.91Å; I20-F57 HydrophobicContact CD1-CE1 4.47Å; I20-F57 HydrophobicContact CD1-CG 4.3Å; I20-F57 HydrophobicContact CG1-CD1 4.48Å; I20-F57 HydrophobicContact CG2-CD1 4.36Å; I20-F57 HydrophobicContact CG2-CD2 4.09Å; I20-F57 HydrophobicContact CG2-CE1 4.42Å; I20-F57 HydrophobicContact CG2-CE2 4.15Å; I20-F57 HydrophobicContact CG2-CG 4.2Å; I20-F57 HydrophobicContact CG2-CZ 4.32Å; L38-F57 HydrophobicContact CD1-CB 3.75Å; L38-F57 HydrophobicContact CD1-CD2 3.96Å; L38-F57 HydrophobicContact CD1-CG 4.15Å; N40-F57 CarbonylContact O-C 3.58Å; N40-F57 WeakPolarHBondContact O-CA 3.35Å; N40-F57 VanDerWaalsContact O-CB 3.25Å; N40-F57 WeakPolarHBondContact O-CB 3.2Å; V41-F57 HydrophobicContact CG2-CB 4.25Å; V55-F57 HydrophobicContact CB-CD1 4.37Å; V55-F57 HydrophobicContact CG2-CD1 3.89Å; V55-F57 HydrophobicContact CG2-CE1 3.9Å; F57-L59 HydrophobicContact CD2-CD2 3.88Å; F57-L59 HydrophobicContact CD2-CG 4Å; F57-L59 HydrophobicContact CE2-CD1 4.09Å; F57-L59 HydrophobicContact CE2-CD2 3.92Å; F57-L59 HydrophobicContact CE2-CG 3.82Å
58T84.9Confident77.1Confident66 Ų6698.8 Ų98.841%0.40549%0.488SS..EExtended strand (participates in β ladder)trans-115126.9178.3-510000109.6S39 N40 E60S39-T58 PolarHBondContact N-O 3.06Å; N40-T58 PolarHBondContact O-N 2.97Å; T58-E60 HydrophobicContact CG2-CG 4.48Å
59L88Confident76Confident43 Ų4397.7 Ų97.723%0.22549%0.492CS..EExtended strand (participates in β ladder)trans-99.1136.2168.6-59.6-176.1000109.5V24 I29 V31 A36 R37 L38 F57V24-L59 HydrophobicContact CG1-CD2 4.35Å; V24-L59 HydrophobicContact CG2-CD1 4.07Å; V24-L59 HydrophobicContact CG2-CD2 3.64Å; I29-L59 HydrophobicContact CD1-CD1 4.43Å; I29-L59 HydrophobicContact CG2-CD1 3.93Å; V31-L59 HydrophobicContact CG2-CB 4.21Å; A36-L59 HydrophobicContact CB-CB 4.26Å; A36-L59 HydrophobicContact CB-CD1 4.06Å; R37-L59 WeakPolarHBondContact O-CA 3.23Å; L38-L59 HydrophobicContact CB-CD2 4.4Å; L38-L59 HydrophobicContact CD1-CD2 4.14Å; F57-L59 HydrophobicContact CD2-CD2 3.88Å; F57-L59 HydrophobicContact CD2-CG 4Å; F57-L59 HydrophobicContact CE2-CD1 4.09Å; F57-L59 HydrophobicContact CE2-CD2 3.92Å; F57-L59 HydrophobicContact CE2-CG 3.82Å
60E87.6Confident74.8Confident69 Ų6990 Ų9032%0.32247%0.47SS..EExtended strand (participates in β ladder)trans-121.2159.3173.3-72.6172.5-158.100109.5A36 R37 S39 T58 S62A36-E60 CarbonylContact C-O 3.58Å; A36-E60 WeakPolarHBondContact CA-O 3.16Å; R37-E60 HydrophobicContact CG-CB 4.24Å; R37-E60 WeakPolarHBondContact CG-O 3.38Å; R37-E60 IonicContact CZ-OE2 3.49Å; R37-E60 PolarHBondContact N-O 3.4Å; R37-E60 IonicContact NH1-OE2 3.86Å; R37-E60 PolarHBondContact NH1-OE2 3.34Å; R37-E60 IonicContact NH2-OE2 2.81Å; R37-E60 PolarHBondContact NH2-OE2 2.89Å; R37-E60 PolarHBondContact O-N 2.86Å; S39-E60 VanDerWaalsContact CB-CD 3.41Å; S39-E60 WeakPolarHBondContact CB-OE1 3.3Å; S39-E60 PolarHBondContact OG-OE1 2.83Å; S39-E60 PolarHBondContact OG-OE2 3.32Å; T58-E60 HydrophobicContact CG2-CG 4.48Å; E60-S62 PolarHBondContact O-N 3.07Å
61A87.1Confident73.2Confident33 Ų3395.5 Ų95.527%0.27348%0.482SS..EExtended strand (participates in β ladder)trans-58.7130.8168.100000109.9V31 Y34 R37V31-A61 HydrophobicContact CB-CB 4.39Å; V31-A61 HydrophobicContact CG1-CB 4.39Å; Y34-A61 HydrophobicContact CD2-CB 4.44Å; Y34-A61 HydrophobicContact CG-CB 4.41Å; R37-A61 PolarHBondContact NE-O 3.47Å
62S84.3Confident72Confident20 Ų2090.4 Ų90.414%0.1446%0.456CS..EExtended strand (participates in β ladder)trans-78.7178.2163.374.30000110.4Y34 Y35 E60 C64Y34-S62 WeakPolarHBondContact CB-O 2.91Å; Y34-S62 WeakPolarHBondContact CD1-O 3.16Å; Y35-S62 WeakPolarHBondContact O-CA 3.39Å; Y35-S62 WeakPolarHBondContact O-CB 3.1Å; Y35-S62 PolarHBondContact O-N 2.99Å; Y35-S62 PolarHBondContact O-OG 3.45Å; E60-S62 PolarHBondContact O-N 3.07Å; S62-C64 PolarHBondContact O-N 3.23Å; S62-C64 PolarHBondContact OG-N 3.22Å; S62-C64 VanDerWaalsContact OG-N 3.15Å
63N82.4Confident71Confident162 Ų16296.1 Ų96.187%0.86648%0.477SS*.EExtended strand (participates in β ladder)trans-84.57.1173.8-61.2-23.9000112.9
64C78Confident70.1Confident63 Ų6394.1 Ų94.143%0.42647%0.473SS..EExtended strand (participates in β ladder)trans-105.8112.8-176.6-64.30000110.7Y34 Y35 S62 A66Y34-C64 CarbonylContact C-O 3.56Å; Y34-C64 VanDerWaalsContact CA-O 3.29Å; Y34-C64 WeakPolarHBondContact CA-O 3.44Å; Y35-C64 HydrophobicContact CD2-CB 3.87Å; Y35-C64 PolarHBondContact N-O 3.25Å; S62-C64 PolarHBondContact O-N 3.23Å; S62-C64 PolarHBondContact OG-N 3.22Å; S62-C64 VanDerWaalsContact OG-N 3.15Å; C64-A66 PolarHBondContact O-N 3.45Å
65R81.3Confident69.1Low141 Ų14193.1 Ų93.153%0.53247%0.472SS..EExtended strand (participates in β ladder)trans-62.5135.6173.3-72.4-172.5176.7-176.60.6110.6Y34 N67 R68Y34-R65 HydrophobicContact CD1-CG 3.9Å; Y34-R65 HydrophobicContact CE1-CB 4.49Å; Y34-R65 HydrophobicContact CE1-CG 3.43Å; Y34-R65 VanDerWaalsContact CE1-CG 3.43Å; R65-N67 WeakPolarHBondContact CB-OD1 3.09Å; R65-N67 PolarHBondContact O-N 2.99Å; R65-N67 VanDerWaalsContact O-N 3.1Å; R65-R68 PolarHBondContact O-N 3.1Å
66A76.1Confident67.9Low33 Ų3393 Ų9327%0.27348%0.48SS..THydrogen-bonded Turntrans-63.9-18.2-177.200000114T30 G33 Y35 C64 R68T30-A66 HydrophobicContact CG2-CB 3.43Å; T30-A66 VanDerWaalsContact CG2-CB 3.43Å; G33-A66 WeakPolarHBondContact O-CB 3.16Å; G33-A66 PolarHBondContact O-N 3.23Å; Y35-A66 PolarHBondContact OH-O 3.22Å; C64-A66 PolarHBondContact O-N 3.45Å; A66-R68 VanDerWaalsContact C-N 3.33Å
67N69.7Low66.8Low133 Ų13394.5 Ų94.571%0.71149%0.485SS*.THydrogen-bonded Turntrans-81.5-9.2175.770-7.7000113.8R65R65-N67 WeakPolarHBondContact CB-OD1 3.09Å; R65-N67 PolarHBondContact O-N 2.99Å; R65-N67 VanDerWaalsContact O-N 3.1Å
68R54.1Low65.9Low187 Ų18793.9 Ų93.971%0.70649%0.486SS*.SBendtrans-82.7119.8170.4-74.4-172.1174.4-174.3-1108R65 A66 V70R65-R68 PolarHBondContact O-N 3.1Å; A66-R68 VanDerWaalsContact C-N 3.33Å; R68-V70 PolarHBondContact O-N 2.75Å
69S49.6Very low65.2Low112 Ų11291.2 Ų91.278%0.78347%0.469SS*.  trans-59.2101.3165.944.80000108.3R71S69-R71 PolarHBondContact O-N 3.31Å; S69-R71 VanDerWaalsContact O-N 3.16Å
70V47.9Very low64.6Low67 Ų6793.6 Ų93.641%0.40648%0.475SS..  trans-69.3114.9171.9-164.70000105.7Y35 R68 L72Y35-V70 HydrophobicContact CD2-CG2 3.87Å; Y35-V70 HydrophobicContact CE2-CG2 3.31Å; R68-V70 PolarHBondContact O-N 2.75Å; V70-L72 VanDerWaalsContact C-N 3.31Å; V70-L72 HydrophobicContact CB-CD2 3.57Å; V70-L72 HydrophobicContact CG1-CD2 3.43Å; V70-L72 VanDerWaalsContact CG1-CD2 3.43Å; V70-L72 PolarHBondContact O-N 2.89Å
71R42.6Very low63.9Low234 Ų23493.1 Ų93.188%0.88348%0.477SS*.  trans-68.3100165.1-76.4-175.8176.1174.6-1106.1S69 E73S69-R71 PolarHBondContact O-N 3.31Å; S69-R71 VanDerWaalsContact O-N 3.16Å; R71-E73 VanDerWaalsContact C-N 3.33Å; R71-E73 PolarHBondContact O-N 3.34Å; R71-E73 VanDerWaalsContact O-N 3.09Å
72L45.4Very low63.4Low42 Ų4295.3 Ų95.322%0.2248%0.484CS..  trans-77.191.1175.4-56.1-175000106.5Y25 V70 P74 L109Y25-L72 HydrophobicContact CD1-CD1 4.46Å; Y25-L72 HydrophobicContact CE1-CD1 3.45Å; Y25-L72 VanDerWaalsContact CE1-CD1 3.45Å; Y25-L72 HydrophobicContact CE1-CD2 4.36Å; Y25-L72 HydrophobicContact CE1-CG 4.3Å; Y25-L72 HydrophobicContact CE2-CD1 4Å; Y25-L72 HydrophobicContact CE2-CD2 3.38Å; Y25-L72 HydrophobicContact CE2-CG 4.19Å; Y25-L72 WeakPolarHBondContact OH-CB 3.29Å; Y25-L72 WeakPolarHBondContact OH-CD1 3.49Å; Y25-L72 WeakPolarHBondContact OH-CD2 3.17Å; Y25-L72 WeakPolarHBondContact OH-CG 3.25Å; V70-L72 VanDerWaalsContact C-N 3.31Å; V70-L72 HydrophobicContact CB-CD2 3.57Å; V70-L72 HydrophobicContact CG1-CD2 3.43Å; V70-L72 VanDerWaalsContact CG1-CD2 3.43Å; V70-L72 PolarHBondContact O-N 2.89Å; L72-P74 VanDerWaalsContact O-CD 3.25Å; L72-P74 WeakPolarHBondContact O-CD 3.36Å; L72-L109 HydrophobicContact CB-CD2 4.1Å; L72-L109 HydrophobicContact CD1-CD2 4.05Å; L72-L109 HydrophobicContact CG-CD2 4.37Å
73E46.6Very low63.2Low170 Ų17095 Ų9579%0.79448%0.481SS*.  trans-69.9115.6159.7-66.7-161.5171.800105.8R71 D75R71-E73 VanDerWaalsContact C-N 3.33Å; R71-E73 PolarHBondContact O-N 3.34Å; R71-E73 VanDerWaalsContact O-N 3.09Å; E73-D75 PolarHBondContact O-N 3.12Å; E73-D75 VanDerWaalsContact O-N 3.16Å
74P49Very low62.9Low32 Ų3291.2 Ų91.221%0.20846%0.459CS..  trans-55.8126.2171.521-27.5000107.1L72 G76 V79 A107 Y116L72-P74 VanDerWaalsContact O-CD 3.25Å; L72-P74 WeakPolarHBondContact O-CD 3.36Å; P74-G76 VanDerWaalsContact C-N 3.3Å; P74-G76 PolarHBondContact O-N 2.73Å; P74-V79 HydrophobicContact CB-CG2 3.75Å; P74-V79 HydrophobicContact CG-CG2 4.48Å; P74-A107 HydrophobicContact CG-CB 4.1Å; P74-Y116 HydrophobicContact CB-CD1 4.47Å; P74-Y116 HydrophobicContact CB-CE1 3.74Å; P74-Y116 HydrophobicContact CG-CD1 4.37Å; P74-Y116 HydrophobicContact CG-CE1 3.91Å
75D52.8Low62.9Low99 Ų9993.4 Ų93.453%0.52946%0.458SS..  trans-58.6108159-176.5-7.5000104.5E73 K77 D78E73-D75 PolarHBondContact O-N 3.12Å; E73-D75 VanDerWaalsContact O-N 3.16Å; D75-K77 PolarHBondContact O-N 2.88Å; D75-K77 WeakPolarHBondContact OD1-CG 3.38Å; D75-K77 PolarHBondContact OD1-N 2.79Å; D75-D78 PolarHBondContact O-N 3.44Å
76G52.7Low62.9Low45 Ų4593 Ų9346%0.46446%0.457SS..Hα-helixtrans-55.1-16-170.700000113.1P74 R80P74-G76 VanDerWaalsContact C-N 3.3Å; P74-G76 PolarHBondContact O-N 2.73Å; G76-R80 WeakPolarHBondContact O-CB 3.46Å; G76-R80 PolarHBondContact O-N 2.88Å
77K56.4Low63Low150 Ų15091.8 Ų91.865%0.65245%0.446SS*.Hα-helixtrans-60-45170.9-66.2-179.1-178.6178.60113.3D75 R80 V81D75-K77 PolarHBondContact O-N 2.88Å; D75-K77 WeakPolarHBondContact OD1-CG 3.38Å; D75-K77 PolarHBondContact OD1-N 2.79Å; K77-R80 PolarHBondContact O-N 2.9Å; K77-V81 WeakPolarHBondContact O-CG2 3.25Å; K77-V81 PolarHBondContact O-N 3.16Å
78D67.2Low63.3Low71 Ų7194 Ų9438%0.3845%0.446SS..Hα-helixtrans-66-46.2-176.2-86.9-14.7000111.1R22 D75 R80 V81 D82R22-D78 IonicContact CZ-OD1 2.75Å; R22-D78 IonicContact NE-OD2 3.81Å; R22-D78 VanDerWaalsContact NH2-CG 3.35Å; R22-D78 IonicContact NH2-OD1 3.97Å; R22-D78 PolarHBondContact NH2-OD1 2.82Å; R22-D78 IonicContact NH2-OD2 3.88Å; D75-D78 PolarHBondContact O-N 3.44Å; D78-R80 VanDerWaalsContact C-N 3.3Å; D78-R80 PolarHBondContact O-N 3.16Å; D78-V81 PolarHBondContact O-N 3.22Å; D78-D82 PolarHBondContact O-N 3.44Å; D78-D82 VanDerWaalsContact O-N 3.11Å
79V70.5Confident64.4Low9 Ų988.4 Ų88.46%0.05544%0.435CS..Hα-helixtrans-61.1-40.3179176.50000111.2P74 V81 D82 I83 A107 V118P74-V79 HydrophobicContact CB-CG2 3.75Å; P74-V79 HydrophobicContact CG-CG2 4.48Å; V79-V81 VanDerWaalsContact C-N 3.35Å; V79-V81 PolarHBondContact O-N 3.23Å; V79-D82 PolarHBondContact O-N 3.46Å; V79-I83 HydrophobicContact CG1-CD1 3.69Å; V79-I83 HydrophobicContact CG1-CG1 4.35Å; V79-I83 VanDerWaalsContact O-CG1 3.24Å; V79-I83 WeakPolarHBondContact O-CG1 3.48Å; V79-I83 PolarHBondContact O-N 3.35Å; V79-A107 HydrophobicContact CB-CB 4.46Å; V79-A107 HydrophobicContact CG1-CB 4.02Å; V79-A107 HydrophobicContact CG2-CB 4.23Å; V79-V118 HydrophobicContact CG1-CG1 3.65Å
80R75.5Confident66Low94 Ų9488.3 Ų88.336%0.35542%0.422SS..Hα-helixtrans-62.9-41.4179.2-165-169.2167.398.26111.7G76 K77 D78 M84 L101 V104G76-R80 WeakPolarHBondContact O-CB 3.46Å; G76-R80 PolarHBondContact O-N 2.88Å; K77-R80 PolarHBondContact O-N 2.9Å; D78-R80 VanDerWaalsContact C-N 3.3Å; D78-R80 PolarHBondContact O-N 3.16Å; R80-M84 HydrophobicContact CB-CE 4.5Å; R80-M84 HydrophobicContact CG-CE 3.52Å; R80-M84 WeakPolarHBondContact O-CG 3.4Å; R80-M84 PolarHBondContact O-N 3.09Å; R80-L101 HydrophobicContact CG-CD2 3.61Å; R80-V104 HydrophobicContact CB-CG2 4.45Å; R80-V104 HydrophobicContact CG-CG2 4.27Å
81V73.3Confident67.7Low58 Ų5889.7 Ų89.735%0.35243%0.428SS..Hα-helixtrans-65.4-45.4178.2172.20000110.8K77 D78 V79 I83 M84 R85K77-V81 WeakPolarHBondContact O-CG2 3.25Å; K77-V81 PolarHBondContact O-N 3.16Å; D78-V81 PolarHBondContact O-N 3.22Å; V79-V81 VanDerWaalsContact C-N 3.35Å; V79-V81 PolarHBondContact O-N 3.23Å; V81-I83 PolarHBondContact O-N 3.39Å; V81-M84 PolarHBondContact O-N 3.01Å; V81-R85 HydrophobicContact CG1-CG 4.49Å; V81-R85 WeakPolarHBondContact O-CG 3.36Å; V81-R85 PolarHBondContact O-N 3.36Å
82D76.4Confident69.7Low79 Ų7980.9 Ų80.942%0.42240%0.397SS..Hα-helixtrans-63.5-41.3180-71.9-16.2000111.9D78 V79 R85 Y86D78-D82 PolarHBondContact O-N 3.44Å; D78-D82 VanDerWaalsContact O-N 3.11Å; V79-D82 PolarHBondContact O-N 3.46Å; D82-R85 PolarHBondContact O-N 3.05Å; D82-R85 IonicContact OD1-NH1 2.61Å; D82-Y86 WeakPolarHBondContact O-CB 3.5Å; D82-Y86 PolarHBondContact O-N 3.07Å
83I79.8Confident71.8Confident15 Ų1582.5 Ų82.58%0.07741%0.409CS..Hα-helixtrans-62.5-45.2174.7-66.5166.3000110.9V79 V81 R85 Y86 I87 L101 V104 V118 F120V79-I83 HydrophobicContact CG1-CD1 3.69Å; V79-I83 HydrophobicContact CG1-CG1 4.35Å; V79-I83 VanDerWaalsContact O-CG1 3.24Å; V79-I83 WeakPolarHBondContact O-CG1 3.48Å; V79-I83 PolarHBondContact O-N 3.35Å; V81-I83 PolarHBondContact O-N 3.39Å; I83-R85 VanDerWaalsContact C-N 3.35Å; I83-R85 PolarHBondContact O-N 3.47Å; I83-Y86 WeakPolarHBondContact O-CB 3.24Å; I83-Y86 PolarHBondContact O-N 3.26Å; I83-I87 HydrophobicContact CG2-CD1 3.7Å; I83-I87 HydrophobicContact CG2-CG1 4.35Å; I83-I87 WeakPolarHBondContact O-CD1 3.27Å; I83-I87 VanDerWaalsContact O-CG1 3.27Å; I83-I87 WeakPolarHBondContact O-CG1 3.45Å; I83-I87 PolarHBondContact O-N 3.11Å; I83-L101 HydrophobicContact CB-CD2 4.06Å; I83-L101 HydrophobicContact CG2-CD1 3.78Å; I83-L101 HydrophobicContact CG2-CD2 3.81Å; I83-L101 HydrophobicContact CG2-CG 4.32Å; I83-V104 HydrophobicContact CD1-CG1 4.33Å; I83-V104 HydrophobicContact CD1-CG2 3.84Å; I83-V118 HydrophobicContact CD1-CB 4.32Å; I83-V118 HydrophobicContact CD1-CG2 4.24Å; I83-F120 HydrophobicContact CD1-CD1 4.04Å; I83-F120 HydrophobicContact CD1-CG 4.47Å; I83-F120 HydrophobicContact CG2-CD1 4.38Å; I83-F120 HydrophobicContact CG2-CD2 4.28Å; I83-F120 HydrophobicContact CG2-CE1 4.42Å; I83-F120 HydrophobicContact CG2-CE2 4.32Å; I83-F120 HydrophobicContact CG2-CG 4.31Å; I83-F120 HydrophobicContact CG2-CZ 4.39Å
84M76.8Confident73.8Confident82 Ų8276.1 Ų76.140%0.40438%0.382SS..Hα-helixtrans-60.3-43.8177.4-77.1-168.3-119.400112.4R80 V81 Y86 I87 Y88 L101R80-M84 HydrophobicContact CB-CE 4.5Å; R80-M84 HydrophobicContact CG-CE 3.52Å; R80-M84 WeakPolarHBondContact O-CG 3.4Å; R80-M84 PolarHBondContact O-N 3.09Å; V81-M84 PolarHBondContact O-N 3.01Å; M84-Y86 VanDerWaalsContact C-N 3.32Å; M84-Y86 PolarHBondContact O-N 3.45Å; M84-I87 PolarHBondContact O-N 3.38Å; M84-Y88 PolarHBondContact O-N 2.96Å; M84-L101 HydrophobicContact CE-CD2 4.39Å; M84-L101 HydrophobicContact CG-CB 3.96Å; M84-L101 HydrophobicContact CG-CD2 3.79Å
85R77.6Confident75.7Confident108 Ų10881.6 Ų81.641%0.40841%0.409SS..Hα-helixtrans-60.5-43.9176.3-73.3171.5176.7-178.5-9.1111.2V81 D82 I83 Y88 S89V81-R85 HydrophobicContact CG1-CG 4.49Å; V81-R85 WeakPolarHBondContact O-CG 3.36Å; V81-R85 PolarHBondContact O-N 3.36Å; D82-R85 PolarHBondContact O-N 3.05Å; D82-R85 IonicContact OD1-NH1 2.61Å; I83-R85 VanDerWaalsContact C-N 3.35Å; I83-R85 PolarHBondContact O-N 3.47Å; R85-Y88 PolarHBondContact O-N 2.97Å; R85-S89 WeakPolarHBondContact O-CB 3.47Å; R85-S89 PolarHBondContact O-N 2.87Å; R85-S89 PolarHBondContact O-OG 3.21Å
86Y80.7Confident77.3Confident133 Ų13378.8 Ų78.852%0.52240%0.404SS..Hα-helixtrans-59.6-51.1176.8-179.5-101.6000111.4D82 I83 M84 Y88 S89 Q90 I92D82-Y86 WeakPolarHBondContact O-CB 3.5Å; D82-Y86 PolarHBondContact O-N 3.07Å; I83-Y86 WeakPolarHBondContact O-CB 3.24Å; I83-Y86 PolarHBondContact O-N 3.26Å; M84-Y86 VanDerWaalsContact C-N 3.32Å; M84-Y86 PolarHBondContact O-N 3.45Å; Y86-Y88 VanDerWaalsContact C-N 3.31Å; Y86-Y88 PolarHBondContact O-N 3.39Å; Y86-S89 PolarHBondContact O-N 3.3Å; Y86-S89 PolarHBondContact O-OG 2.92Å; Y86-Q90 HydrophobicContact CD1-CG 4.38Å; Y86-Q90 HydrophobicContact CD2-CG 3.89Å; Y86-Q90 HydrophobicContact CE1-CG 4.06Å; Y86-Q90 HydrophobicContact CE2-CG 3.53Å; Y86-Q90 HydrophobicContact CG-CG 4.3Å; Y86-Q90 WeakPolarHBondContact O-CB 3.47Å; Y86-Q90 WeakPolarHBondContact O-CG 3.37Å; Y86-Q90 PolarHBondContact O-N 3.25Å; Y86-I92 HydrophobicContact CD1-CD1 4.14Å; Y86-I92 HydrophobicContact CE1-CD1 3.93Å
87I78.1Confident79Confident8 Ų881.6 Ų81.64%0.04140%0.401CS..Hα-helixtrans-53.4-47.9178.3-68.9159.5000111.5I83 M84 N91 I92 A99 L101 L122I83-I87 HydrophobicContact CG2-CD1 3.7Å; I83-I87 HydrophobicContact CG2-CG1 4.35Å; I83-I87 WeakPolarHBondContact O-CD1 3.27Å; I83-I87 VanDerWaalsContact O-CG1 3.27Å; I83-I87 WeakPolarHBondContact O-CG1 3.45Å; I83-I87 PolarHBondContact O-N 3.11Å; M84-I87 PolarHBondContact O-N 3.38Å; I87-N91 PolarHBondContact O-N 3.46Å; I87-I92 HydrophobicContact CB-CD1 4.47Å; I87-I92 HydrophobicContact CG1-CD1 4.19Å; I87-I92 HydrophobicContact CG2-CB 4.29Å; I87-I92 PolarHBondContact O-N 3.02Å; I87-A99 HydrophobicContact CG2-CB 3.91Å; I87-A99 VanDerWaalsContact CG2-O 3.28Å; I87-A99 WeakPolarHBondContact CG2-O 3.44Å; I87-L101 HydrophobicContact CD1-CB 3.77Å; I87-L101 HydrophobicContact CD1-CD1 4.41Å; I87-L122 HydrophobicContact CD1-CD2 3.37Å; I87-L122 HydrophobicContact CG1-CD2 4Å
88Y76.6Confident80.4Confident180 Ų18078.7 Ų78.771%0.70639%0.387SS*.Hα-helixtrans-64.9-47.8179.6-175.4-97.5000111.9M84 R85 Y86 Q90 N91M84-Y88 PolarHBondContact O-N 2.96Å; R85-Y88 PolarHBondContact O-N 2.97Å; Y86-Y88 VanDerWaalsContact C-N 3.31Å; Y86-Y88 PolarHBondContact O-N 3.39Å; Y88-Q90 VanDerWaalsContact C-N 3.29Å; Y88-Q90 PolarHBondContact O-N 3.21Å; Y88-N91 PolarHBondContact O-N 3.34Å
89S77.6Confident81.4Confident68 Ų6875.9 Ų75.948%0.47637%0.373SS..Hα-helixtrans-64.5-32.8-177.772.30000113.6R85 Y86 N91R85-S89 WeakPolarHBondContact O-CB 3.47Å; R85-S89 PolarHBondContact O-N 2.87Å; R85-S89 PolarHBondContact O-OG 3.21Å; Y86-S89 PolarHBondContact O-N 3.3Å; Y86-S89 PolarHBondContact O-OG 2.92Å; S89-N91 VanDerWaalsContact C-N 3.31Å
90Q82Confident82.2Confident110 Ų11082.8 Ų82.851%0.51440%0.398SS..THydrogen-bonded Turntrans-89.21.9-178.3-62.9-51.6-68.600112.7Y86 Y88 I92Y86-Q90 HydrophobicContact CD1-CG 4.38Å; Y86-Q90 HydrophobicContact CD2-CG 3.89Å; Y86-Q90 HydrophobicContact CE1-CG 4.06Å; Y86-Q90 HydrophobicContact CE2-CG 3.53Å; Y86-Q90 HydrophobicContact CG-CG 4.3Å; Y86-Q90 WeakPolarHBondContact O-CB 3.47Å; Y86-Q90 WeakPolarHBondContact O-CG 3.37Å; Y86-Q90 PolarHBondContact O-N 3.25Å; Y88-Q90 VanDerWaalsContact C-N 3.29Å; Y88-Q90 PolarHBondContact O-N 3.21Å; Q90-I92 HydrophobicContact CB-CD1 4.27Å; Q90-I92 HydrophobicContact CB-CG1 3.75Å; Q90-I92 PolarHBondContact O-N 3.41Å
91N83.7Confident82.7Confident97 Ų9778.6 Ų78.652%0.51938%0.383SS..THydrogen-bonded Turntrans47.444.2-174.3-66.9-61.4000112I87 Y88 S89 T93 Y98I87-N91 PolarHBondContact O-N 3.46Å; Y88-N91 PolarHBondContact O-N 3.34Å; S89-N91 VanDerWaalsContact C-N 3.31Å; N91-T93 WeakPolarHBondContact O-CG2 3.28Å; N91-T93 PolarHBondContact O-N 3.31Å; N91-Y98 HydrophobicContact CB-CE1 4.16Å
92I85.9Confident83.3Confident48 Ų4877.7 Ų77.725%0.24638%0.379CS..  trans-65.1138.2-178.5-54.6-174.9000108.8Y86 I87 Q90 A99 L122Y86-I92 HydrophobicContact CD1-CD1 4.14Å; Y86-I92 HydrophobicContact CE1-CD1 3.93Å; I87-I92 HydrophobicContact CB-CD1 4.47Å; I87-I92 HydrophobicContact CG1-CD1 4.19Å; I87-I92 HydrophobicContact CG2-CB 4.29Å; I87-I92 PolarHBondContact O-N 3.02Å; Q90-I92 HydrophobicContact CB-CD1 4.27Å; Q90-I92 HydrophobicContact CB-CG1 3.75Å; Q90-I92 PolarHBondContact O-N 3.41Å; I92-A99 HydrophobicContact CB-CB 4.01Å; I92-A99 HydrophobicContact CG2-CB 3.8Å; I92-A99 WeakPolarHBondContact O-CB 3.42Å; I92-A99 PolarHBondContact O-N 2.98Å; I92-L122 HydrophobicContact CG2-CD1 3.94Å
93T88.5Confident83.6Confident76 Ų7677.9 Ų77.947%0.46638%0.38SS..EExtended strand (participates in β ladder)trans-124.5144.6-177.564.40000111.5N91 Y97 T129N91-T93 WeakPolarHBondContact O-CG2 3.28Å; N91-T93 PolarHBondContact O-N 3.31Å; T93-Y97 CarbonylContact C-O 3.49Å; T93-Y97 WeakPolarHBondContact CA-O 3.27Å; T93-Y97 WeakPolarHBondContact CB-O 3.49Å; T93-T129 HydrophobicContact CG2-CG2 3.36Å
94V88.8Confident83.6Confident37 Ų3778.8 Ų78.822%0.22439%0.386CS..EExtended strand (participates in β ladder)trans-125.4121.6169.6179.20000106.8G96 Y97 A99 L122 A124V94-G96 VanDerWaalsContact C-N 3.28Å; V94-G96 PolarHBondContact O-N 3.36Å; V94-G96 VanDerWaalsContact O-N 3.16Å; V94-Y97 PolarHBondContact N-O 2.85Å; V94-Y97 PolarHBondContact O-N 2.89Å; V94-A99 HydrophobicContact CG2-CB 3.88Å; V94-L122 HydrophobicContact CG2-CB 4.11Å; V94-A124 HydrophobicContact CB-CB 4.35Å; V94-A124 HydrophobicContact CG1-CB 4.34Å
95D88.9Confident83.6Confident146 Ų14678.7 Ų78.778%0.78139%0.391SS*.THydrogen-bonded Turntrans51.937.5175.9-56.4-31.3000115.5Y97D95-Y97 VanDerWaalsContact C-N 3.34Å; D95-Y97 VanDerWaalsContact O-CD2 3.25Å; D95-Y97 WeakPolarHBondContact O-CD2 3.37Å
96G86.9Confident83.4Confident41 Ų4174.7 Ų74.742%0.42338%0.379SS..THydrogen-bonded Turntrans83.16179.400000115.1V94 T129V94-G96 VanDerWaalsContact C-N 3.28Å; V94-G96 PolarHBondContact O-N 3.36Å; V94-G96 VanDerWaalsContact O-N 3.16Å; G96-T129 PolarHBondContact O-N 2.79Å; G96-T129 PolarHBondContact O-OG1 3.27Å; G96-T129 VanDerWaalsContact O-OG1 3.07Å
97Y87.5Confident82.8Confident104 Ų10469.7 Ų69.741%0.40837%0.365SS..EExtended strand (participates in β ladder)trans-115.9154.4173.2-60.8-95.4000110.1T93 V94 D95 A99 A124 S125 C127 P128T93-Y97 CarbonylContact C-O 3.49Å; T93-Y97 WeakPolarHBondContact CA-O 3.27Å; T93-Y97 WeakPolarHBondContact CB-O 3.49Å; V94-Y97 PolarHBondContact N-O 2.85Å; V94-Y97 PolarHBondContact O-N 2.89Å; D95-Y97 VanDerWaalsContact C-N 3.34Å; D95-Y97 VanDerWaalsContact O-CD2 3.25Å; D95-Y97 WeakPolarHBondContact O-CD2 3.37Å; Y97-A99 PolarHBondContact O-N 3.11Å; Y97-A124 HydrophobicContact CD2-CB 4.24Å; Y97-A124 HydrophobicContact CG-CB 4.33Å; Y97-S125 WeakPolarHBondContact CB-O 3.45Å; Y97-S125 WeakPolarHBondContact CD1-O 3.39Å; Y97-C127 CarbonylContact C-O 3.56Å; Y97-C127 VanDerWaalsContact CA-O 3.31Å; Y97-C127 WeakPolarHBondContact CA-O 3.14Å; Y97-P128 HydrophobicContact CD1-CB 4.21Å; Y97-P128 HydrophobicContact CE1-CB 4.12Å
98Y86.8Confident82.2Confident89 Ų8978 Ų7835%0.34940%0.396SS..EExtended strand (participates in β ladder)trans-58.8138.9170.3-75.4-74.9000110.3N91 S125 C127 T129N91-Y98 HydrophobicContact CB-CE1 4.16Å; Y98-S125 WeakPolarHBondContact O-CA 3.37Å; Y98-S125 WeakPolarHBondContact O-CB 3.02Å; Y98-S125 PolarHBondContact O-N 3.22Å; Y98-S125 PolarHBondContact O-OG 2.9Å; Y98-C127 HydrophobicContact CD2-CB 3.82Å; Y98-C127 PolarHBondContact N-O 3.39Å; Y98-T129 HydrophobicContact CD2-CG2 4.31Å; Y98-T129 HydrophobicContact CE2-CG2 4.32Å; Y98-T129 HydrophobicContact CG-CG2 4.43Å
99A88.1Confident81.3Confident11 Ų1171.7 Ų71.79%0.09137%0.374CS..EExtended strand (participates in β ladder)trans-72.2143.3179.500000110.9I87 I92 V94 Y97 L122I87-A99 HydrophobicContact CG2-CB 3.91Å; I87-A99 VanDerWaalsContact CG2-O 3.28Å; I87-A99 WeakPolarHBondContact CG2-O 3.44Å; I92-A99 HydrophobicContact CB-CB 4.01Å; I92-A99 HydrophobicContact CG2-CB 3.8Å; I92-A99 WeakPolarHBondContact O-CB 3.42Å; I92-A99 PolarHBondContact O-N 2.98Å; V94-A99 HydrophobicContact CG2-CB 3.88Å; Y97-A99 PolarHBondContact O-N 3.11Å; A99-L122 HydrophobicContact CB-CB 4.44Å; A99-L122 HydrophobicContact CB-CD1 4.1Å
100R87.2Confident80.3Confident155 Ų15570.2 Ų70.259%0.58536%0.361SS*.EExtended strand (participates in β ladder)trans-119.5135.2171.8165.7179158.2141.6-4.7109.1S102 L122 E123R100-S102 PolarHBondContact O-N 2.65Å; R100-S102 VanDerWaalsContact O-N 3.16Å; R100-L122 WeakPolarHBondContact O-CA 3.31Å; R100-E123 PolarHBondContact N-O 2.9Å; R100-E123 PolarHBondContact O-N 3.16Å
101L84.8Confident79Confident6 Ų671.5 Ų71.53%0.03137%0.37CS..EExtended strand (participates in β ladder)trans-66.6111.6169.4-17761.3000110R80 I83 M84 I87 V104 F120 L122R80-L101 HydrophobicContact CG-CD2 3.61Å; I83-L101 HydrophobicContact CB-CD2 4.06Å; I83-L101 HydrophobicContact CG2-CD1 3.78Å; I83-L101 HydrophobicContact CG2-CD2 3.81Å; I83-L101 HydrophobicContact CG2-CG 4.32Å; M84-L101 HydrophobicContact CE-CD2 4.39Å; M84-L101 HydrophobicContact CG-CB 3.96Å; M84-L101 HydrophobicContact CG-CD2 3.79Å; I87-L101 HydrophobicContact CD1-CB 3.77Å; I87-L101 HydrophobicContact CD1-CD1 4.41Å; L101-V104 HydrophobicContact CD1-CG2 4.19Å; L101-V104 HydrophobicContact CD2-CG2 3.94Å; L101-V104 HydrophobicContact CG-CG2 4.44Å; L101-F120 HydrophobicContact CD1-CB 3.78Å; L101-F120 HydrophobicContact CD1-CD2 3.93Å; L101-F120 HydrophobicContact CD1-CG 4.11Å; L101-L122 HydrophobicContact CD1-CD2 4.38Å
102S87Confident77.7Confident38 Ų3875.6 Ų75.627%0.26638%0.384SS..EExtended strand (participates in β ladder)trans-81.8-58.2176179.10000110.3R100 T121 E123R100-S102 PolarHBondContact O-N 2.65Å; R100-S102 VanDerWaalsContact O-N 3.16Å; S102-T121 PolarHBondContact N-O 2.95Å; S102-E123 VanDerWaalsContact CB-CD 3.4Å; S102-E123 VanDerWaalsContact CB-OE1 3.23Å; S102-E123 WeakPolarHBondContact CB-OE1 3.33Å; S102-E123 VanDerWaalsContact OG-CD 3.22Å; S102-E123 PolarHBondContact OG-OE1 2.96Å
103N83Confident76.2Confident83 Ų8378.4 Ų78.444%0.44440%0.399SS..EExtended strand (participates in β ladder)trans-144.7152.3-176.8-162.811.6000112.5F120 T121N103-F120 CarbonylContact O-C 3.59Å; N103-F120 WeakPolarHBondContact O-CA 3.29Å; N103-F120 WeakPolarHBondContact O-CB 3.43Å; N103-T121 PolarHBondContact O-N 3.25Å
104V78.4Confident74.7Confident34 Ų3480.5 Ų80.521%0.20641%0.406CS..EExtended strand (participates in β ladder)trans-109.8106.1166.8-179.20000106.4R80 I83 L101 A107 E119 F120R80-V104 HydrophobicContact CB-CG2 4.45Å; R80-V104 HydrophobicContact CG-CG2 4.27Å; I83-V104 HydrophobicContact CD1-CG1 4.33Å; I83-V104 HydrophobicContact CD1-CG2 3.84Å; L101-V104 HydrophobicContact CD1-CG2 4.19Å; L101-V104 HydrophobicContact CD2-CG2 3.94Å; L101-V104 HydrophobicContact CG-CG2 4.44Å; V104-A107 HydrophobicContact CG1-CB 4.49Å; V104-E119 CarbonylContact C-O 3.45Å; V104-F120 HydrophobicContact CG2-CB 4.38Å
105T78.1Confident73.2Confident81 Ų8180.8 Ų80.850%0.49741%0.413SS..EExtended strand (participates in β ladder)trans-82.7-30.3-17449.60000112.2E119T105-E119 PolarHBondContact N-O 2.79Å; T105-E119 VanDerWaalsContact OG1-C 3.3Å; T105-E119 WeakPolarHBondContact OG1-CB 3.4Å; T105-E119 PolarHBondContact OG1-O 3.4Å; T105-E119 VanDerWaalsContact OG1-O 3.08Å
106S73.8Confident72.1Confident23 Ų2378.3 Ų78.316%0.16139%0.393CS..EExtended strand (participates in β ladder)trans-150.1147.517372.50000111.7V118 E119S106-V118 VanDerWaalsContact O-CA 3.29Å; S106-V118 WeakPolarHBondContact O-CA 3.23Å; S106-E119 PolarHBondContact N-O 3.26Å; S106-E119 PolarHBondContact O-N 2.77Å; S106-E119 VanDerWaalsContact OG-CB 3.31Å; S106-E119 WeakPolarHBondContact OG-CB 3.18Å; S106-E119 WeakPolarHBondContact OG-CG 3.2Å; S106-E119 PolarHBondContact OG-OE2 3.42Å
107A67.3Low71.4Confident28 Ų2880.5 Ų80.523%0.23140%0.395CS..EExtended strand (participates in β ladder)trans-142107.6169.700000107.9P74 V79 V104 V118P74-A107 HydrophobicContact CG-CB 4.1Å; V79-A107 HydrophobicContact CB-CB 4.46Å; V79-A107 HydrophobicContact CG1-CB 4.02Å; V79-A107 HydrophobicContact CG2-CB 4.23Å; V104-A107 HydrophobicContact CG1-CB 4.49Å; A107-V118 HydrophobicContact CB-CG1 4.06Å
108R66.4Low70.9Confident184 Ų18477.9 Ų77.969%0.69439%0.39SS*.EExtended strand (participates in β ladder)trans-122.9131.7-176.7-64-176.1-179-178.33.2109.6N110 Y116 D117R108-N110 PolarHBondContact O-N 2.78Å; R108-Y116 CarbonylContact O-C 3.54Å; R108-Y116 WeakPolarHBondContact O-CA 3.37Å; R108-D117 PolarHBondContact N-O 2.9Å; R108-D117 PolarHBondContact O-N 3.47Å
109L55.9Low70.6Confident47 Ų4779.5 Ų79.525%0.24640%0.4CS..EExtended strand (participates in β ladder)trans-73.8114.6173.9-176.767.2000109.6L72 L111 Y116L72-L109 HydrophobicContact CB-CD2 4.1Å; L72-L109 HydrophobicContact CD1-CD2 4.05Å; L72-L109 HydrophobicContact CG-CD2 4.37Å; L109-L111 HydrophobicContact CD2-CD2 3.7Å; L109-L111 HydrophobicContact CG-CD2 4.12Å; L109-L111 PolarHBondContact O-N 3.22Å; L109-Y116 HydrophobicContact CB-CD1 4.34Å; L109-Y116 HydrophobicContact CB-CE1 4.18Å; L109-Y116 HydrophobicContact CD1-CD1 4.3Å; L109-Y116 HydrophobicContact CD1-CE1 4.06Å
110N57.5Low70.5Confident36 Ų3682.6 Ų82.619%0.19341%0.412CS..EExtended strand (participates in β ladder)trans-81.3106.9167.7-176-23.7000108.9R108 K112 D113 I114 A115 D117R108-N110 PolarHBondContact O-N 2.78Å; N110-K112 VanDerWaalsContact C-N 3.27Å; N110-K112 PolarHBondContact O-N 3.37Å; N110-K112 VanDerWaalsContact OD1-CB 3.29Å; N110-K112 WeakPolarHBondContact OD1-CB 3.34Å; N110-K112 PolarHBondContact OD1-N 2.98Å; N110-D113 PolarHBondContact ND2-OD2 3.4Å; N110-D113 PolarHBondContact OD1-N 3.41Å; N110-I114 VanDerWaalsContact O-CA 3.27Å; N110-I114 WeakPolarHBondContact O-CA 3.31Å; N110-I114 PolarHBondContact O-N 2.98Å; N110-A115 WeakPolarHBondContact CB-O 3.45Å; N110-A115 PolarHBondContact N-O 3.21Å; N110-A115 PolarHBondContact O-N 3.14Å; N110-D117 WeakPolarHBondContact CB-OD2 3.29Å; N110-D117 PolarHBondContact ND2-OD2 2.93Å
111L53.8Low70.6Confident137 Ų13778.4 Ų78.472%0.71740%0.404SS*.THydrogen-bonded Turntrans-72.1-20-177.7-67.6175.3000113.6L109L109-L111 HydrophobicContact CD2-CD2 3.7Å; L109-L111 HydrophobicContact CG-CD2 4.12Å; L109-L111 PolarHBondContact O-N 3.22Å
112K56.1Low70.9Confident183 Ų18380.4 Ų80.480%0.79641%0.414SS*.THydrogen-bonded Turntrans-71.3-44.3179.9-170.3-175.9176.7-170.20110.5N110N110-K112 VanDerWaalsContact C-N 3.27Å; N110-K112 PolarHBondContact O-N 3.37Å; N110-K112 VanDerWaalsContact OD1-CB 3.29Å; N110-K112 WeakPolarHBondContact OD1-CB 3.34Å; N110-K112 PolarHBondContact OD1-N 2.98Å
113D54.3Low71.1Confident107 Ų10783.1 Ų83.157%0.57242%0.423SS*.THydrogen-bonded Turntrans-103.7-4.8-176.1-55.5-46.4000112.9N110 A115N110-D113 PolarHBondContact ND2-OD2 3.4Å; N110-D113 PolarHBondContact OD1-N 3.41Å; D113-A115 HydrophobicContact CB-CB 4.4Å; D113-A115 PolarHBondContact O-N 3.01Å
114I58Low71.4Confident121 Ų12181.2 Ų81.262%0.62142%0.419SS*.THydrogen-bonded Turntrans52.746.4-175.5-43178.2000110.2N110N110-I114 VanDerWaalsContact O-CA 3.27Å; N110-I114 WeakPolarHBondContact O-CA 3.31Å; N110-I114 PolarHBondContact O-N 2.98Å
115A57.7Low71.7Confident43 Ų4380.8 Ų80.836%0.35542%0.417SS..EExtended strand (participates in β ladder)trans-130.1161.3-179.600000110.3N110 D113N110-A115 WeakPolarHBondContact CB-O 3.45Å; N110-A115 PolarHBondContact N-O 3.21Å; N110-A115 PolarHBondContact O-N 3.14Å; D113-A115 HydrophobicContact CB-CB 4.4Å; D113-A115 PolarHBondContact O-N 3.01Å
116Y65Low72.1Confident93 Ų9383.9 Ų83.937%0.36543%0.43SS..EExtended strand (participates in β ladder)trans-91.8120.4170.6-68.5-79000109.5P74 R108 L109 V118P74-Y116 HydrophobicContact CB-CD1 4.47Å; P74-Y116 HydrophobicContact CB-CE1 3.74Å; P74-Y116 HydrophobicContact CG-CD1 4.37Å; P74-Y116 HydrophobicContact CG-CE1 3.91Å; R108-Y116 CarbonylContact O-C 3.54Å; R108-Y116 WeakPolarHBondContact O-CA 3.37Å; L109-Y116 HydrophobicContact CB-CD1 4.34Å; L109-Y116 HydrophobicContact CB-CE1 4.18Å; L109-Y116 HydrophobicContact CD1-CD1 4.3Å; L109-Y116 HydrophobicContact CD1-CE1 4.06Å; Y116-V118 PolarHBondContact O-N 3.21Å
117D72Confident72.5Confident88 Ų8885.7 Ų85.747%0.47144%0.442SS..EExtended strand (participates in β ladder)trans-78.4110.8162.5-65.9-24.9000106.7R108 N110R108-D117 PolarHBondContact N-O 2.9Å; R108-D117 PolarHBondContact O-N 3.47Å; N110-D117 WeakPolarHBondContact CB-OD2 3.29Å; N110-D117 PolarHBondContact ND2-OD2 2.93Å
118V78.3Confident73.3Confident48 Ų4887.7 Ų87.729%0.29145%0.453SS..EExtended strand (participates in β ladder)trans-118.6136.2-176.8-63.20000110.4V79 I83 S106 A107 Y116 F120V79-V118 HydrophobicContact CG1-CG1 3.65Å; I83-V118 HydrophobicContact CD1-CB 4.32Å; I83-V118 HydrophobicContact CD1-CG2 4.24Å; S106-V118 VanDerWaalsContact O-CA 3.29Å; S106-V118 WeakPolarHBondContact O-CA 3.23Å; A107-V118 HydrophobicContact CB-CG1 4.06Å; Y116-V118 PolarHBondContact O-N 3.21Å; V118-F120 HydrophobicContact CB-CD1 4.45Å; V118-F120 HydrophobicContact CG2-CD1 3.97Å; V118-F120 HydrophobicContact CG2-CE1 3.99Å
119E79.4Confident74Confident123 Ų12381.1 Ų81.158%0.57543%0.434SS*.EExtended strand (participates in β ladder)trans-113.9134.8167-63.8170.3158.300108.1V104 T105 S106V104-E119 CarbonylContact C-O 3.45Å; T105-E119 PolarHBondContact N-O 2.79Å; T105-E119 VanDerWaalsContact OG1-C 3.3Å; T105-E119 WeakPolarHBondContact OG1-CB 3.4Å; T105-E119 PolarHBondContact OG1-O 3.4Å; T105-E119 VanDerWaalsContact OG1-O 3.08Å; S106-E119 PolarHBondContact N-O 3.26Å; S106-E119 PolarHBondContact O-N 2.77Å; S106-E119 VanDerWaalsContact OG-CB 3.31Å; S106-E119 WeakPolarHBondContact OG-CB 3.18Å; S106-E119 WeakPolarHBondContact OG-CG 3.2Å; S106-E119 PolarHBondContact OG-OE2 3.42Å
120F87.3Confident75Confident77 Ų7785.1 Ų85.134%0.33846%0.455SS..EExtended strand (participates in β ladder)trans-152.7163.9-177.859.5-92.5000111.1I83 L101 N103 V104 V118 L122I83-F120 HydrophobicContact CD1-CD1 4.04Å; I83-F120 HydrophobicContact CD1-CG 4.47Å; I83-F120 HydrophobicContact CG2-CD1 4.38Å; I83-F120 HydrophobicContact CG2-CD2 4.28Å; I83-F120 HydrophobicContact CG2-CE1 4.42Å; I83-F120 HydrophobicContact CG2-CE2 4.32Å; I83-F120 HydrophobicContact CG2-CG 4.31Å; I83-F120 HydrophobicContact CG2-CZ 4.39Å; L101-F120 HydrophobicContact CD1-CB 3.78Å; L101-F120 HydrophobicContact CD1-CD2 3.93Å; L101-F120 HydrophobicContact CD1-CG 4.11Å; N103-F120 CarbonylContact O-C 3.59Å; N103-F120 WeakPolarHBondContact O-CA 3.29Å; N103-F120 WeakPolarHBondContact O-CB 3.43Å; V104-F120 HydrophobicContact CG2-CB 4.38Å; V118-F120 HydrophobicContact CB-CD1 4.45Å; V118-F120 HydrophobicContact CG2-CD1 3.97Å; V118-F120 HydrophobicContact CG2-CE1 3.99Å; F120-L122 HydrophobicContact CD2-CD2 3.85Å; F120-L122 HydrophobicContact CD2-CG 4.1Å; F120-L122 HydrophobicContact CE2-CD1 4.19Å; F120-L122 HydrophobicContact CE2-CD2 3.79Å; F120-L122 HydrophobicContact CE2-CG 3.9Å
121T89.1Confident75Confident67 Ų6794.2 Ų94.241%0.41149%0.487SS..EExtended strand (participates in β ladder)trans-117.2134.2178.5-48.90000109.8S102 N103S102-T121 PolarHBondContact N-O 2.95Å; N103-T121 PolarHBondContact O-N 3.25Å
122L90.6Very high74.7Confident47 Ų4791.9 Ų91.925%0.24648%0.482CS..EExtended strand (participates in β ladder)trans-104.1144.5172.5-59.1-177.8000110I87 I92 V94 A99 R100 L101 F120I87-L122 HydrophobicContact CD1-CD2 3.37Å; I87-L122 HydrophobicContact CG1-CD2 4Å; I92-L122 HydrophobicContact CG2-CD1 3.94Å; V94-L122 HydrophobicContact CG2-CB 4.11Å; A99-L122 HydrophobicContact CB-CB 4.44Å; A99-L122 HydrophobicContact CB-CD1 4.1Å; R100-L122 WeakPolarHBondContact O-CA 3.31Å; L101-L122 HydrophobicContact CD1-CD2 4.38Å; F120-L122 HydrophobicContact CD2-CD2 3.85Å; F120-L122 HydrophobicContact CD2-CG 4.1Å; F120-L122 HydrophobicContact CE2-CD1 4.19Å; F120-L122 HydrophobicContact CE2-CD2 3.79Å; F120-L122 HydrophobicContact CE2-CG 3.9Å
123E90.3Very high74.3Confident95 Ų9592.1 Ų92.144%0.44449%0.486SS..EExtended strand (participates in β ladder)trans-125.3157.1171.3-73.4169.7-165.300109.3R100 S102 S125R100-E123 PolarHBondContact N-O 2.9Å; R100-E123 PolarHBondContact O-N 3.16Å; S102-E123 VanDerWaalsContact CB-CD 3.4Å; S102-E123 VanDerWaalsContact CB-OE1 3.23Å; S102-E123 WeakPolarHBondContact CB-OE1 3.33Å; S102-E123 VanDerWaalsContact OG-CD 3.22Å; S102-E123 PolarHBondContact OG-OE1 2.96Å; E123-S125 PolarHBondContact O-N 2.83Å
124A89.8Confident73.7Confident44 Ų4493.8 Ų93.836%0.36450%0.495SS..EExtended strand (participates in β ladder)trans-60.7129.6167.300000109.8V94 Y97V94-A124 HydrophobicContact CB-CB 4.35Å; V94-A124 HydrophobicContact CG1-CB 4.34Å; Y97-A124 HydrophobicContact CD2-CB 4.24Å; Y97-A124 HydrophobicContact CG-CB 4.33Å
125S85.2Confident72.8Confident24 Ų2496.1 Ų96.117%0.16850%0.503CS..EExtended strand (participates in β ladder)trans-75.7179.5166.573.30000110.7Y97 Y98 E123 C127Y97-S125 WeakPolarHBondContact CB-O 3.45Å; Y97-S125 WeakPolarHBondContact CD1-O 3.39Å; Y98-S125 WeakPolarHBondContact O-CA 3.37Å; Y98-S125 WeakPolarHBondContact O-CB 3.02Å; Y98-S125 PolarHBondContact O-N 3.22Å; Y98-S125 PolarHBondContact O-OG 2.9Å; E123-S125 PolarHBondContact O-N 2.83Å; S125-C127 VanDerWaalsContact C-N 3.25Å; S125-C127 PolarHBondContact OG-N 2.8Å; S125-C127 VanDerWaalsContact OG-N 3.11Å
126N85.3Confident71.6Confident146 Ų146104.1 Ų104.178%0.78153%0.525SS*.EExtended strand (participates in β ladder)trans-85.18170.661.8-22.6000113.4P128N126-P128 WeakPolarHBondContact O-CD 3.4Å
127C82.4Confident70.3Confident61 Ų61104.9 Ų104.941%0.41254%0.542SS..EExtended strand (participates in β ladder)trans-103.4106.8-178.6-63.50000110.2Y97 Y98 S125Y97-C127 CarbonylContact C-O 3.56Å; Y97-C127 VanDerWaalsContact CA-O 3.31Å; Y97-C127 WeakPolarHBondContact CA-O 3.14Å; Y98-C127 HydrophobicContact CD2-CB 3.82Å; Y98-C127 PolarHBondContact N-O 3.39Å; S125-C127 VanDerWaalsContact C-N 3.25Å; S125-C127 PolarHBondContact OG-N 2.8Å; S125-C127 VanDerWaalsContact OG-N 3.11Å
128P85.7Confident68.7Low71 Ų71108.5 Ų108.546%0.46156%0.556SS.*EExtended strand (participates in β ladder)trans-67.6146175.428.5-33.5000110.5Y97 N126 N130Y97-P128 HydrophobicContact CD1-CB 4.21Å; Y97-P128 HydrophobicContact CE1-CB 4.12Å; N126-P128 WeakPolarHBondContact O-CD 3.4Å; P128-N130 VanDerWaalsContact C-N 3.32Å
129T80.5Confident66.7Low46 Ų46113 Ų11328%0.28258%0.584SS.*SBendtrans-77-26.4177.656.70000111.8T93 G96 Y98 R131T93-T129 HydrophobicContact CG2-CG2 3.36Å; G96-T129 PolarHBondContact O-N 2.79Å; G96-T129 PolarHBondContact O-OG1 3.27Å; G96-T129 VanDerWaalsContact O-OG1 3.07Å; Y98-T129 HydrophobicContact CD2-CG2 4.31Å; Y98-T129 HydrophobicContact CE2-CG2 4.32Å; Y98-T129 HydrophobicContact CG-CG2 4.43Å; T129-R131 PolarHBondContact O-N 2.93Å
130N75.8Confident64.6Low130 Ų130115.6 Ų115.670%0.69560%0.596SS**  trans-81.497.5173.4-63.9-5.6000107.8P128 S132P128-N130 VanDerWaalsContact C-N 3.32Å; N130-S132 VanDerWaalsContact C-N 3.29Å; N130-S132 PolarHBondContact O-N 3.02Å
131R57.9Low61.9Low228 Ų228115.3 Ų115.386%0.8661%0.614SS**  trans-65.499.6155.7-69-176.2-178.3179.50.7105.6T129 E133T129-R131 PolarHBondContact O-N 2.93Å; R131-E133 PolarHBondContact O-N 3.45Å; R131-E133 VanDerWaalsContact O-N 3.14Å
132S48Very low59.4Low87 Ų87116.5 Ų116.561%0.60863%0.631SS**  trans-54.9119.5158.145.60000106.1N130 D134N130-S132 VanDerWaalsContact C-N 3.29Å; N130-S132 PolarHBondContact O-N 3.02Å; S132-D134 PolarHBondContact O-N 2.83Å
133E48.2Very low56.8Low188 Ų188122.3 Ų122.388%0.87966%0.662SS**SBendtrans-64.93.6174.8-73-175.4133.300112.5R131R131-E133 PolarHBondContact O-N 3.45Å; R131-E133 VanDerWaalsContact O-N 3.14Å
134D42Very low54.2Low143 Ų143122.6 Ų122.677%0.76568%0.675SS**  trans-104.658.7-172.7-58.2-44.1000112.5S132S132-D134 PolarHBondContact O-N 2.83Å
135E39Very low51.5Low170 Ų170129 Ų12979%0.79470%0.697SS**  trans-158.246.3157-126.9167.3-178.900113.5P137E135-P137 WeakPolarHBondContact O-CD 3.21Å
136Y31.2Very low49.1Very low210 Ų210133.3 Ų133.382%0.82472%0.724SS**  trans-100.699.1145.7-85.6-88.3000107.1H138Y136-H138 PolarHBondContact O-N 3Å
137P38.3Very low46.4Very low110 Ų110136.8 Ų136.871%0.71473%0.728SS**  trans-62.497.716325.7-30.2000106.3E135 T139E135-P137 WeakPolarHBondContact O-CD 3.21Å; P137-T139 VanDerWaalsContact C-N 3.33Å; P137-T139 PolarHBondContact O-N 3.07Å
138H39.7Very low44.2Very low164 Ų164140.3 Ų140.376%0.75975%0.748SS**  trans-51.5107.3161.4-77.7-74000106.1Y136 Q140Y136-H138 PolarHBondContact O-N 3Å; H138-Q140 HydrophobicContact CB-CG 4.46Å; H138-Q140 PolarHBondContact O-N 3.33Å
139T35.3Very low42.4Very low143 Ų143145 Ų14588%0.87779%0.792SS**  trans-60.583.3167.5430000107.6P137P137-T139 VanDerWaalsContact C-N 3.33Å; P137-T139 PolarHBondContact O-N 3.07Å
140Q35Very low40.5Very low177 Ų177149.9 Ų149.983%0.82782%0.817SS**  trans-89.2103.8164.6-72.4-165.8-29.400106.4H138 A142H138-Q140 HydrophobicContact CB-CG 4.46Å; H138-Q140 PolarHBondContact O-N 3.33Å; Q140-A142 PolarHBondContact O-N 3.27Å
141G31.8Very low38.7Very low71 Ų71150.9 Ų150.973%0.73282%0.824SS**  trans-56.1132.6172.100000110.9
142A36.5Very low37.6Very low91 Ų91146.7 Ų146.775%0.75282%0.822SS**  trans-129.981.2155.100000106.1Q140 S144Q140-A142 PolarHBondContact O-N 3.27Å; A142-S144 PolarHBondContact O-N 2.63Å; A142-S144 VanDerWaalsContact O-N 3.12Å
143N36.1Very low37Very low170 Ų170150.2 Ų150.291%0.90983%0.834SS**  trans-63.2104.6163.2-65.3-29000107.2
144S34.2Very low36.3Very low101 Ų101147.8 Ų147.871%0.70683%0.831SS**  trans-153.476.1158.859.30000108.6A142 P146A142-S144 PolarHBondContact O-N 2.63Å; A142-S144 VanDerWaalsContact O-N 3.12Å; S144-P146 WeakPolarHBondContact O-CD 3.25Å
145E33.5Very low35.9Very low178 Ų178148.1 Ų148.183%0.83284%0.836SS**  trans-71.6118.1153.8-78.2179.6126.200107.6Y147E145-Y147 PolarHBondContact O-N 3.08Å
146P35.6Very low35.7Very low114 Ų114146.6 Ų146.674%0.7484%0.839SS**  trans-79.5106.5160.911.75.5000107.5S144 V148S144-P146 WeakPolarHBondContact O-CD 3.25Å; P146-V148 PolarHBondContact O-N 3.16Å
147Y27.6Very low36.1Very low219 Ų219141.7 Ų141.786%0.85984%0.84SS**  trans-52.5117.2158.4-113.3-104.1000108.8E145E145-Y147 PolarHBondContact O-N 3.08Å
148V37.5Very low35.9Very low136 Ų136144.3 Ų144.382%0.82485%0.851SS**  trans-117.3121.5162.2-174.10000106.6P146P146-V148 PolarHBondContact O-N 3.16Å
149A47.8Very low35.5Very low168 Ų168142.5 Ų142.5100%1.38886%0.859SS**  trans-58.80-169.500000115.5

Retrieved 149 of 149 residues in 92.3 ms (Link to these results)