A0A077Z3A0_TRITR Loading...

CAP domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3A0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 317 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
1M51.5Low77.5Confident105 Ų10531.1 Ų31.152%0.51716%0.158SC..  0143.80-136.1169.270.200107.3E3 L155 Y278M1-E3 PolarHBondContact O-N 2.81Å; M1-L155 HydrophobicContact CE-CD1 3.53Å; M1-L155 HydrophobicContact CE-CD2 3.9Å; M1-L155 HydrophobicContact CE-CG 3.57Å; M1-Y278 PolarHBondContact N-OH 3.4Å
2L61.2Low78.1Confident11 Ų1135.8 Ų35.86%0.05818%0.184CC..  trans-66.3117.2177.9-62.5165.8000107.6G4 E7 Y64 F86 Y135L2-G4 PolarHBondContact O-N 3.11Å; L2-E7 WeakPolarHBondContact CB-OE1 3.16Å; L2-E7 WeakPolarHBondContact CD1-OE1 3.25Å; L2-Y64 HydrophobicContact CD2-CE2 3.67Å; L2-Y64 HydrophobicContact CG-CD2 4.4Å; L2-Y64 HydrophobicContact CG-CE2 3.67Å; L2-F86 HydrophobicContact CD1-CE2 3.79Å; L2-F86 HydrophobicContact CD1-CZ 3.74Å; L2-F86 HydrophobicContact CD2-CE2 4.19Å; L2-F86 HydrophobicContact CD2-CZ 3.93Å; L2-F86 HydrophobicContact CG-CE2 4.44Å; L2-F86 HydrophobicContact CG-CZ 4.44Å; L2-Y135 HydrophobicContact CD1-CD1 4Å; L2-Y135 HydrophobicContact CD1-CE1 3.67Å; L2-Y135 HydrophobicContact CD2-CE1 3.97Å; L2-Y135 HydrophobicContact CG-CE1 4.24Å
3E64.7Low78.8Confident52 Ų5242.2 Ų42.224%0.24321%0.205CC..  trans-8247.3176.5-67.5175.4171.100109.6M1 G5 P138 H154 N292M1-E3 PolarHBondContact O-N 2.81Å; E3-G5 PolarHBondContact O-N 3.06Å; E3-P138 HydrophobicContact CB-CG 4.46Å; E3-P138 WeakPolarHBondContact O-CG 3.29Å; E3-H154 IonicContact OE1-ND1 2.87Å; E3-N292 PolarHBondContact OE1-ND2 2.78Å
4G69.5Low79.7Confident0 Ų041.1 Ų41.10%020%0.201CC..  trans-64.4133.6-177.900000110.9L2 N6 E7 V136L2-G4 PolarHBondContact O-N 3.11Å; G4-N6 PolarHBondContact O-N 2.79Å; G4-E7 PolarHBondContact O-N 2.66Å; G4-V136 CarbonylContact C-O 3.52Å; G4-V136 VanDerWaalsContact CA-O 3.28Å; G4-V136 WeakPolarHBondContact CA-O 3.45Å
5G79.8Confident80.6Confident0 Ų044.8 Ų44.80%023%0.227CC..THydrogen-bonded Turntrans-63.3-11.6-174.400000115E3 V136 P139 C141 Q142 F143E3-G5 PolarHBondContact O-N 3.06Å; G5-V136 PolarHBondContact N-O 2.63Å; G5-P139 WeakPolarHBondContact CA-O 3.37Å; G5-C141 CarbonylContact O-C 3.58Å; G5-C141 WeakPolarHBondContact O-CA 3.35Å; G5-C141 PolarHBondContact O-N 3.22Å; G5-Q142 PolarHBondContact O-N 2.71Å; G5-F143 PolarHBondContact O-N 3.49Å
6N87.4Confident81.5Confident12 Ų1249.3 Ų49.36%0.06425%0.252CS..THydrogen-bonded Turntrans-134.69.7178.762.9-24.7000114.2G4 Q8 F92 V136 F143G4-N6 PolarHBondContact O-N 2.79Å; N6-Q8 PolarHBondContact O-N 3.06Å; N6-F92 HydrophobicContact CB-CD2 4.3Å; N6-F92 WeakPolarHBondContact ND2-CD2 3.39Å; N6-F92 WeakPolarHBondContact ND2-CE2 3.49Å; N6-F92 WeakPolarHBondContact ND2-CG 3.29Å; N6-V136 PolarHBondContact OD1-N 3.37Å; N6-F143 HydrophobicContact CB-CB 3.89Å; N6-F143 WeakPolarHBondContact CB-O 3.43Å
7E88.8Confident82.3Confident20 Ų2046.9 Ų46.99%0.09324%0.24CC..PPolyproline II helixtrans-65.1128.4-175.9-79.8-168.2-163.300111.8L2 G4 F92 Y135 L155 C156L2-E7 WeakPolarHBondContact CB-OE1 3.16Å; L2-E7 WeakPolarHBondContact CD1-OE1 3.25Å; G4-E7 PolarHBondContact O-N 2.66Å; E7-F92 HydrophobicContact CG-CB 4.48Å; E7-Y135 HydrophobicContact CG-CG 4.41Å; E7-Y135 WeakPolarHBondContact OE1-CB 3.26Å; E7-Y135 WeakPolarHBondContact OE1-CD1 3.26Å; E7-Y135 VanDerWaalsContact OE1-CG 3.3Å; E7-L155 HydrophobicContact CB-CD2 3.66Å; E7-L155 CarbonylContact O-C 3.52Å; E7-L155 WeakPolarHBondContact O-CA 3.47Å; E7-C156 WeakPolarHBondContact O-CB 3.36Å; E7-C156 PolarHBondContact O-N 3.26Å
8Q89.8Confident82.9Confident28 Ų2847.3 Ų47.313%0.13124%0.24CC..BIsolated β-bridgetrans-89.3150.8-177.6-69.9-17858.700113.5N6 I10 F92 P145 A148 C156N6-Q8 PolarHBondContact O-N 3.06Å; Q8-I10 PolarHBondContact O-N 3.05Å; Q8-F92 VanDerWaalsContact CB-O 3.28Å; Q8-F92 WeakPolarHBondContact CB-O 3.28Å; Q8-F92 VanDerWaalsContact CG-O 3.25Å; Q8-F92 WeakPolarHBondContact CG-O 3.31Å; Q8-F92 PolarHBondContact N-O 2.98Å; Q8-F92 VanDerWaalsContact N-O 3.17Å; Q8-F92 PolarHBondContact NE2-O 3.29Å; Q8-P145 HydrophobicContact CG-CG 4.28Å; Q8-A148 HydrophobicContact CG-CB 4.29Å; Q8-C156 CarbonylContact C-O 3.53Å; Q8-C156 WeakPolarHBondContact CA-O 3.43Å; Q8-C156 HydrophobicContact CG-CB 4.09Å
9C89Confident83.5Confident12 Ų1247.5 Ų47.58%0.08125%0.25CS..PPolyproline II helixtrans-61.8133166.1-90.30000111.3T11 C156 C157 V161C9-T11 HydrophobicContact CB-CG2 3.92Å; C9-T11 PolarHBondContact O-N 2.81Å; C9-C156 PolarHBondContact N-O 3.49Å; C9-C157 HydrophobicContact CB-CB 3.69Å; C9-C157 WeakPolarHBondContact CB-SG 3.12Å; C9-C157 WeakPolarHBondContact SG-CB 3.49Å; C9-C157 CovalentContact SG-SG 2.03Å; C9-C157 PolarHBondContact SG-SG 3.35Å; C9-V161 WeakPolarHBondContact SG-CG2 3.35Å
10I88.1Confident84Confident80 Ų8046.2 Ų46.241%0.4124%0.244SC..  trans-69.2112.9156.4-55.2-60.8000108Q8 N94 V97 Y124Q8-I10 PolarHBondContact O-N 3.05Å; I10-N94 HydrophobicContact CD1-CB 3.78Å; I10-V97 HydrophobicContact CG2-CB 4.13Å; I10-V97 HydrophobicContact CG2-CG1 3.67Å; I10-Y124 HydrophobicContact CD1-CD1 4.42Å
11T83.1Confident84.5Confident22 Ų2244 Ų4414%0.13523%0.232CC..  trans-106.1-18.6-173.146.40000113.2C9 S95 Y159C9-T11 HydrophobicContact CB-CG2 3.92Å; C9-T11 PolarHBondContact O-N 2.81Å; T11-S95 PolarHBondContact N-O 2.77Å; T11-S95 PolarHBondContact OG1-O 2.76Å; T11-Y159 HydrophobicContact CG2-CE1 4.2Å
12N83.9Confident86.5Confident88 Ų8843.3 Ų43.347%0.47123%0.228SC..EExtended strand (participates in β ladder)trans-142141.6-174.9-68.478.6000111.8S95 R96 V97N12-S95 PolarHBondContact N-O 3.19Å; N12-R96 HydrophobicContact CB-CG 4.16Å; N12-R96 WeakPolarHBondContact O-CA 3.36Å; N12-V97 PolarHBondContact O-N 3.44Å
13Y88Confident88Confident118 Ų11845.8 Ų45.846%0.46325%0.246SC..EExtended strand (participates in β ladder)trans-86.7128.6162.6-170.9-87.8000109.1Q18 V97 C99Y13-Q18 HydrophobicContact CE1-CB 4.01Å; Y13-Q18 HydrophobicContact CE1-CG 4.41Å; Y13-Q18 WeakPolarHBondContact OH-CB 3.26Å; Y13-Q18 VanDerWaalsContact OH-CD 3.23Å; Y13-Q18 VanDerWaalsContact OH-CG 3.22Å; Y13-Q18 WeakPolarHBondContact OH-CG 3.35Å; Y13-Q18 PolarHBondContact OH-OE1 2.89Å; Y13-Q18 VanDerWaalsContact OH-OE1 3.09Å; Y13-V97 CarbonylContact C-O 3.59Å; Y13-V97 VanDerWaalsContact CA-O 3.28Å; Y13-V97 WeakPolarHBondContact CA-O 3.38Å; Y13-V97 HydrophobicContact CD2-CG1 4.43Å; Y13-V97 WeakPolarHBondContact CD2-O 3.31Å; Y13-C99 PolarHBondContact OH-N 3.43Å; Y13-C99 PolarHBondContact OH-O 3.07Å
14D91.1Very high89.4Confident28 Ų2843.3 Ų43.315%0.1524%0.235CC..  trans-112118.1-175.8-167.4-44.2000110.7N16 L17 Q18 R96 V97D14-N16 VanDerWaalsContact C-N 3.26Å; D14-N16 PolarHBondContact O-N 3.4Å; D14-N16 WeakPolarHBondContact OD1-CB 3.28Å; D14-N16 PolarHBondContact OD1-N 3.21Å; D14-L17 HydrophobicContact CB-CB 4.09Å; D14-L17 HydrophobicContact CB-CD1 3.8Å; D14-L17 HydrophobicContact CB-CG 3.88Å; D14-L17 PolarHBondContact O-N 2.93Å; D14-Q18 PolarHBondContact O-N 3.01Å; D14-R96 HydrophobicContact CB-CB 4.17Å; D14-R96 IonicContact OD2-NH1 3.41Å; D14-V97 PolarHBondContact N-O 2.92Å
15T93.5Very high90.5Very high96 Ų9643.3 Ų43.359%0.58924%0.235SC*.Hα-helixtrans-68.3-23.8-177.553.60000113.3A19T15-A19 PolarHBondContact O-N 2.62Å
16N94.7Very high91.2Very high117 Ų11746.5 Ų46.563%0.62626%0.261SS*.Hα-helixtrans-73.7-39.6174.3-60.3-46.9000110.5D14 Q18 A19 V20D14-N16 VanDerWaalsContact C-N 3.26Å; D14-N16 PolarHBondContact O-N 3.4Å; D14-N16 WeakPolarHBondContact OD1-CB 3.28Å; D14-N16 PolarHBondContact OD1-N 3.21Å; N16-Q18 VanDerWaalsContact C-N 3.3Å; N16-A19 PolarHBondContact O-N 3.22Å; N16-V20 WeakPolarHBondContact O-CG2 2.99Å; N16-V20 PolarHBondContact O-N 2.91Å; N16-V20 VanDerWaalsContact O-N 3.09Å
17L94.5Very high91.5Very high8 Ų850.8 Ų50.84%0.04228%0.284CS..Hα-helixtrans-64.9-37.3172.5-64.6179.9000111D14 V20 A21 Y40 R96 A123 N125D14-L17 HydrophobicContact CB-CB 4.09Å; D14-L17 HydrophobicContact CB-CD1 3.8Å; D14-L17 HydrophobicContact CB-CG 3.88Å; D14-L17 PolarHBondContact O-N 2.93Å; L17-V20 PolarHBondContact O-N 3.08Å; L17-A21 WeakPolarHBondContact O-CB 3.48Å; L17-A21 PolarHBondContact O-N 3.14Å; L17-Y40 HydrophobicContact CD2-CD1 3.81Å; L17-Y40 HydrophobicContact CD2-CE1 4.08Å; L17-R96 HydrophobicContact CD1-CB 4.18Å; L17-A123 HydrophobicContact CB-CB 4Å; L17-A123 HydrophobicContact CD2-CB 4.11Å; L17-A123 WeakPolarHBondContact O-CB 3.33Å; L17-N125 HydrophobicContact CD1-CB 4.03Å
18Q93.8Very high91.7Very high54 Ų5451.2 Ų51.225%0.25229%0.289SS..Hα-helixtrans-58.9-48.5171.9178.8-172.9-20.800110.9Y13 D14 N16 V20 A21 E22Y13-Q18 HydrophobicContact CE1-CB 4.01Å; Y13-Q18 HydrophobicContact CE1-CG 4.41Å; Y13-Q18 WeakPolarHBondContact OH-CB 3.26Å; Y13-Q18 VanDerWaalsContact OH-CD 3.23Å; Y13-Q18 VanDerWaalsContact OH-CG 3.22Å; Y13-Q18 WeakPolarHBondContact OH-CG 3.35Å; Y13-Q18 PolarHBondContact OH-OE1 2.89Å; Y13-Q18 VanDerWaalsContact OH-OE1 3.09Å; D14-Q18 PolarHBondContact O-N 3.01Å; N16-Q18 VanDerWaalsContact C-N 3.3Å; Q18-V20 VanDerWaalsContact C-N 3.27Å; Q18-V20 PolarHBondContact O-N 3.47Å; Q18-A21 CarbonylContact O-C 3.52Å; Q18-A21 WeakPolarHBondContact O-CB 2.89Å; Q18-A21 PolarHBondContact O-N 3.12Å; Q18-A21 VanDerWaalsContact O-N 3.08Å; Q18-E22 HydrophobicContact CG-CG 4.25Å; Q18-E22 PolarHBondContact NE2-OE1 3.04Å; Q18-E22 WeakPolarHBondContact O-CG 3.46Å; Q18-E22 PolarHBondContact O-N 2.79Å
19A94.5Very high91.9Very high52 Ų5250.9 Ų50.943%0.4329%0.29SS..Hα-helixtrans-61-35.8179.700000112.6T15 N16 S23T15-A19 PolarHBondContact O-N 2.62Å; N16-A19 PolarHBondContact O-N 3.22Å; A19-S23 WeakPolarHBondContact O-CB 3.42Å; A19-S23 PolarHBondContact O-N 3.23Å
20V93.2Very high91.8Very high21 Ų2150.6 Ų50.613%0.12729%0.287CS..Hα-helixtrans-63.2-50.9171.41730000110.3N16 L17 Q18 E22 S23 V24 Y40 L42 A123N16-V20 WeakPolarHBondContact O-CG2 2.99Å; N16-V20 PolarHBondContact O-N 2.91Å; N16-V20 VanDerWaalsContact O-N 3.09Å; L17-V20 PolarHBondContact O-N 3.08Å; Q18-V20 VanDerWaalsContact C-N 3.27Å; Q18-V20 PolarHBondContact O-N 3.47Å; V20-E22 VanDerWaalsContact C-N 3.31Å; V20-E22 PolarHBondContact O-N 3.35Å; V20-S23 WeakPolarHBondContact O-CB 3.42Å; V20-S23 PolarHBondContact O-N 3.48Å; V20-V24 WeakPolarHBondContact O-CG2 3.17Å; V20-V24 PolarHBondContact O-N 2.9Å; V20-V24 VanDerWaalsContact O-N 3.07Å; V20-Y40 HydrophobicContact CB-CE2 4.49Å; V20-Y40 HydrophobicContact CG1-CD2 3.72Å; V20-Y40 HydrophobicContact CG1-CE2 3.95Å; V20-Y40 HydrophobicContact CG1-CG 4.3Å; V20-Y40 HydrophobicContact CG2-CD2 4.26Å; V20-Y40 HydrophobicContact CG2-CE1 4.42Å; V20-Y40 HydrophobicContact CG2-CE2 3.7Å; V20-L42 HydrophobicContact CG1-CD2 4.22Å; V20-A123 HydrophobicContact CB-CB 4.39Å; V20-A123 HydrophobicContact CG1-CB 4.24Å
21A94.3Very high91.6Very high0 Ų050.8 Ų50.80%029%0.286CS..Hα-helixtrans-59.4-40.3178.700000112.4L17 Q18 V24 A25 A100 V121L17-A21 WeakPolarHBondContact O-CB 3.48Å; L17-A21 PolarHBondContact O-N 3.14Å; Q18-A21 CarbonylContact O-C 3.52Å; Q18-A21 WeakPolarHBondContact O-CB 2.89Å; Q18-A21 PolarHBondContact O-N 3.12Å; Q18-A21 VanDerWaalsContact O-N 3.08Å; A21-V24 PolarHBondContact O-N 3.42Å; A21-A25 VanDerWaalsContact O-CB 3.25Å; A21-A25 WeakPolarHBondContact O-CB 3.39Å; A21-A25 PolarHBondContact O-N 2.99Å; A21-A100 HydrophobicContact CB-CB 3.9Å; A21-V121 HydrophobicContact CB-CB 4.26Å; A21-V121 HydrophobicContact CB-CG1 4.15Å; A21-V121 WeakPolarHBondContact CB-O 3.41Å
22E94.3Very high91.3Very high91 Ų9150.3 Ų50.343%0.42529%0.285SS..Hα-helixtrans-61.4-46.2175-74175.2174.600111.4Q18 V20 V24 A25 A26 A100Q18-E22 HydrophobicContact CG-CG 4.25Å; Q18-E22 PolarHBondContact NE2-OE1 3.04Å; Q18-E22 WeakPolarHBondContact O-CG 3.46Å; Q18-E22 PolarHBondContact O-N 2.79Å; V20-E22 VanDerWaalsContact C-N 3.31Å; V20-E22 PolarHBondContact O-N 3.35Å; E22-V24 PolarHBondContact O-N 2.73Å; E22-A25 PolarHBondContact O-N 2.82Å; E22-A26 WeakPolarHBondContact O-CB 3.48Å; E22-A26 PolarHBondContact O-N 2.58Å; E22-A100 VanDerWaalsContact CA-CB 3.48Å; E22-A100 HydrophobicContact CB-CB 4.09Å; E22-A100 HydrophobicContact CG-CB 3.5Å; E22-A100 VanDerWaalsContact N-CB 3.34Å
23S92.7Very high91.2Very high63 Ų6346.4 Ų46.444%0.44127%0.265SS..Hα-helixtrans-61.1-33.7177.7-177.30000112.6A19 V20 N27A19-S23 WeakPolarHBondContact O-CB 3.42Å; A19-S23 PolarHBondContact O-N 3.23Å; V20-S23 WeakPolarHBondContact O-CB 3.42Å; V20-S23 PolarHBondContact O-N 3.48Å; S23-N27 PolarHBondContact O-ND2 2.82Å; S23-N27 VanDerWaalsContact O-ND2 3.17Å
24V92.9Very high90.6Very high0 Ų046.4 Ų46.40%026%0.264CS..Hα-helixtrans-79.7-46.8178.2178.30000110.8V20 A21 E22 A26 N27 V33 L42 V121V20-V24 WeakPolarHBondContact O-CG2 3.17Å; V20-V24 PolarHBondContact O-N 2.9Å; V20-V24 VanDerWaalsContact O-N 3.07Å; A21-V24 PolarHBondContact O-N 3.42Å; E22-V24 PolarHBondContact O-N 2.73Å; V24-A26 VanDerWaalsContact C-N 3.32Å; V24-A26 PolarHBondContact O-N 3.05Å; V24-N27 WeakPolarHBondContact O-CB 3.2Å; V24-N27 PolarHBondContact O-N 2.96Å; V24-V33 HydrophobicContact CG1-CB 4.44Å; V24-V33 HydrophobicContact CG1-CG2 3.65Å; V24-L42 HydrophobicContact CG2-CD1 4.31Å; V24-V121 HydrophobicContact CB-CG1 4.21Å; V24-V121 HydrophobicContact CB-CG2 4.41Å; V24-V121 HydrophobicContact CG1-CG1 4.17Å; V24-V121 HydrophobicContact CG1-CG2 4.02Å
25A93.8Very high89.8Confident0 Ų049.9 Ų49.90%028%0.283CS..Hα-helixtrans-61.9-39.8-178.900000111.8A21 E22 N27 C28 A100 S102 F119 V121A21-A25 VanDerWaalsContact O-CB 3.25Å; A21-A25 WeakPolarHBondContact O-CB 3.39Å; A21-A25 PolarHBondContact O-N 2.99Å; E22-A25 PolarHBondContact O-N 2.82Å; A25-N27 PolarHBondContact O-N 3.29Å; A25-C28 PolarHBondContact O-N 3.42Å; A25-C28 VanDerWaalsContact O-N 3.09Å; A25-A100 HydrophobicContact CB-CB 4.21Å; A25-S102 VanDerWaalsContact C-OG 3.29Å; A25-S102 WeakPolarHBondContact CB-OG 3.33Å; A25-S102 WeakPolarHBondContact O-CB 3.3Å; A25-S102 PolarHBondContact O-OG 3.31Å; A25-F119 HydrophobicContact CB-CD1 4.43Å; A25-F119 WeakPolarHBondContact O-CD1 3.33Å; A25-V121 HydrophobicContact CB-CB 4.32Å; A25-V121 HydrophobicContact CB-CG2 3.91Å
26A93.8Very high88.8Confident67 Ų6747.9 Ų47.955%0.55427%0.267SS*.THydrogen-bonded Turntrans-64.3-21.5179.300000113.7E22 V24 C28 S102E22-A26 WeakPolarHBondContact O-CB 3.48Å; E22-A26 PolarHBondContact O-N 2.58Å; V24-A26 VanDerWaalsContact C-N 3.32Å; V24-A26 PolarHBondContact O-N 3.05Å; A26-C28 VanDerWaalsContact C-N 3.29Å; A26-S102 PolarHBondContact N-OG 3.08Å
27N93.5Very high87.7Confident102 Ų10243.8 Ų43.855%0.54525%0.246SC..THydrogen-bonded Turntrans-79.1-11.7177.5-70.3-22.2000113.1S23 V24 A25 S29S23-N27 PolarHBondContact O-ND2 2.82Å; S23-N27 VanDerWaalsContact O-ND2 3.17Å; V24-N27 WeakPolarHBondContact O-CB 3.2Å; V24-N27 PolarHBondContact O-N 2.96Å; A25-N27 PolarHBondContact O-N 3.29Å; N27-S29 PolarHBondContact O-N 3.02Å
28C94.2Very high86.3Confident28 Ų2847.2 Ų47.219%0.18927%0.271CS..THydrogen-bonded Turntrans47.445.7-179.6-62.50000112.7A25 A26 C104 V107 T108A25-C28 PolarHBondContact O-N 3.42Å; A25-C28 VanDerWaalsContact O-N 3.09Å; A26-C28 VanDerWaalsContact C-N 3.29Å; C28-C104 VanDerWaalsContact CA-SG 3.57Å; C28-C104 HydrophobicContact CB-CB 3.68Å; C28-C104 WeakPolarHBondContact CB-SG 3.32Å; C28-C104 WeakPolarHBondContact SG-CB 3.37Å; C28-C104 CovalentContact SG-SG 2.03Å; C28-C104 PolarHBondContact SG-SG 3.2Å; C28-V107 WeakPolarHBondContact O-CA 3.25Å; C28-T108 PolarHBondContact O-N 3.26Å
29S92.2Very high85.3Confident22 Ų2250.8 Ų50.815%0.15429%0.287CS..BIsolated β-bridgetrans-149.6129.3-176.1174.60000111.2N27 Q31 G32N27-S29 PolarHBondContact O-N 3.02Å; S29-Q31 PolarHBondContact O-N 3.45Å; S29-Q31 WeakPolarHBondContact OG-CB 3.08Å; S29-Q31 PolarHBondContact OG-N 3.31Å; S29-G32 PolarHBondContact O-N 2Å
30I87.8Confident84.7Confident5 Ų551.3 Ų51.33%0.02628%0.279CS..Hα-helixtrans-63.7-27.3173.4-57.9-170000110.9G32 V33 R34 F44 F46 I81 V107 T108 G109I30-G32 PolarHBondContact O-N 3.02Å; I30-V33 WeakPolarHBondContact O-CA 3.35Å; I30-V33 VanDerWaalsContact O-CB 3.29Å; I30-V33 WeakPolarHBondContact O-CB 3.34Å; I30-V33 PolarHBondContact O-N 2.78Å; I30-R34 PolarHBondContact O-N 2.98Å; I30-R34 VanDerWaalsContact O-N 3.08Å; I30-F44 HydrophobicContact CD1-CE2 4.31Å; I30-F44 HydrophobicContact CG2-CZ 4.46Å; I30-F46 HydrophobicContact CD1-CE1 4.46Å; I30-F46 HydrophobicContact CD1-CE2 3.94Å; I30-F46 HydrophobicContact CD1-CZ 3.44Å; I30-F46 VanDerWaalsContact CD1-CZ 3.44Å; I30-F46 HydrophobicContact CG1-CE1 4.4Å; I30-F46 HydrophobicContact CG1-CZ 3.69Å; I30-I81 HydrophobicContact CD1-CG2 4.4Å; I30-I81 HydrophobicContact CG2-CD1 4.44Å; I30-I81 HydrophobicContact CG2-CG2 4.16Å; I30-V107 HydrophobicContact CG1-CG1 4.34Å; I30-T108 PolarHBondContact N-O 3.24Å; I30-G109 VanDerWaalsContact CD1-C 3.43Å; I30-G109 WeakPolarHBondContact CD1-O 3.45Å
31Q83.7Confident84.4Confident85 Ų8550.4 Ų50.440%0.39727%0.273SS..Hα-helixtrans-60.7-33.4177.7-167.359.13800111.8S29 V33 R34 D35S29-Q31 PolarHBondContact O-N 3.45Å; S29-Q31 WeakPolarHBondContact OG-CB 3.08Å; S29-Q31 PolarHBondContact OG-N 3.31Å; Q31-V33 VanDerWaalsContact C-N 3.28Å; Q31-V33 PolarHBondContact O-N 3.38Å; Q31-R34 WeakPolarHBondContact O-CB 3.46Å; Q31-R34 PolarHBondContact O-N 3.04Å; Q31-R34 VanDerWaalsContact O-N 3.11Å; Q31-D35 PolarHBondContact NE2-OD1 3.5Å; Q31-D35 PolarHBondContact O-N 2.9Å
32G77.3Confident84.3Confident11 Ų1150.6 Ų50.611%0.11327%0.274CS..Hα-helixtrans-62.8-34.2174.600000113.2S29 I30 Q36S29-G32 PolarHBondContact O-N 2Å; I30-G32 PolarHBondContact O-N 3.02Å; G32-Q36 PolarHBondContact O-N 2.82Å
33V81.4Confident84.2Confident7 Ų746.2 Ų46.24%0.04225%0.254CS..Hα-helixtrans-65.6-48.4171.7-1770000109.5V24 I30 Q31 D35 Q36 V37 L42 F44 F119V24-V33 HydrophobicContact CG1-CB 4.44Å; V24-V33 HydrophobicContact CG1-CG2 3.65Å; I30-V33 WeakPolarHBondContact O-CA 3.35Å; I30-V33 VanDerWaalsContact O-CB 3.29Å; I30-V33 WeakPolarHBondContact O-CB 3.34Å; I30-V33 PolarHBondContact O-N 2.78Å; Q31-V33 VanDerWaalsContact C-N 3.28Å; Q31-V33 PolarHBondContact O-N 3.38Å; V33-D35 VanDerWaalsContact C-N 3.33Å; V33-D35 PolarHBondContact O-N 3.43Å; V33-Q36 PolarHBondContact O-N 2.65Å; V33-V37 WeakPolarHBondContact O-CG1 3.48Å; V33-V37 PolarHBondContact O-N 3.41Å; V33-L42 HydrophobicContact CG1-CB 3.78Å; V33-L42 HydrophobicContact CG1-CD1 4.39Å; V33-F44 HydrophobicContact CB-CD1 4.16Å; V33-F44 HydrophobicContact CG1-CD1 3.59Å; V33-F44 HydrophobicContact CG1-CE1 3.99Å; V33-F44 HydrophobicContact CG2-CB 4.27Å; V33-F44 HydrophobicContact CG2-CD1 3.83Å; V33-F44 HydrophobicContact CG2-CG 4.15Å; V33-F119 HydrophobicContact CG2-CZ 3.97Å
34R75.2Confident84.1Confident117 Ų11744.1 Ų44.144%0.44224%0.237SC..Hα-helixtrans-61.3-35.7-179.1-71.2175.9164.8-171.3-8.5113.7I30 Q31 V37I30-R34 PolarHBondContact O-N 2.98Å; I30-R34 VanDerWaalsContact O-N 3.08Å; Q31-R34 WeakPolarHBondContact O-CB 3.46Å; Q31-R34 PolarHBondContact O-N 3.04Å; Q31-R34 VanDerWaalsContact O-N 3.11Å; R34-V37 WeakPolarHBondContact O-CG1 3.33Å
35D75.3Confident84Confident102 Ų10244.9 Ų44.955%0.54524%0.24SC..Hα-helixtrans-74.4-31.2-178.7-64.6-17.9000111.3Q31 V33 S38Q31-D35 PolarHBondContact NE2-OD1 3.5Å; Q31-D35 PolarHBondContact O-N 2.9Å; V33-D35 VanDerWaalsContact C-N 3.33Å; V33-D35 PolarHBondContact O-N 3.43Å; D35-S38 PolarHBondContact O-OG 2.93Å
36Q72.5Confident83.8Confident54 Ų5447.1 Ų47.125%0.25225%0.25SC..Hα-helixtrans-99.8-11.2-173.9-67.4-166.91.400115.4G32 V33 S38 Q39 Y40 L42G32-Q36 PolarHBondContact O-N 2.82Å; V33-Q36 PolarHBondContact O-N 2.65Å; Q36-S38 PolarHBondContact O-N 2.9Å; Q36-Q39 PolarHBondContact O-N 3.19Å; Q36-Y40 PolarHBondContact O-N 3.27Å; Q36-L42 HydrophobicContact CB-CD1 3.45Å; Q36-L42 VanDerWaalsContact CB-CD1 3.45Å
37V70.1Confident83.5Confident30 Ų3045.6 Ų45.618%0.18223%0.231CC..THydrogen-bonded Turntrans-55.7-22171.738.60000112.4V33 R34 Q39 Y40 K127 L130V33-V37 WeakPolarHBondContact O-CG1 3.48Å; V33-V37 PolarHBondContact O-N 3.41Å; R34-V37 WeakPolarHBondContact O-CG1 3.33Å; V37-Q39 PolarHBondContact O-N 2.78Å; V37-Y40 CarbonylContact C-O 3.52Å; V37-Y40 WeakPolarHBondContact CA-O 3.46Å; V37-K127 WeakPolarHBondContact O-CE 2.91Å; V37-K127 WeakPolarHBondContact O-CG 3.33Å; V37-L130 HydrophobicContact CG2-CD1 4.41Å
38S66.3Low83.2Confident81 Ų8144.3 Ų44.357%0.56622%0.223SC*.THydrogen-bonded Turntrans-66-21.4174.867.70000114.2D35 Q36 K127D35-S38 PolarHBondContact O-OG 2.93Å; Q36-S38 PolarHBondContact O-N 2.9Å; S38-K127 VanDerWaalsContact O-CD 3.26Å; S38-K127 WeakPolarHBondContact O-CD 3.3Å; S38-K127 WeakPolarHBondContact O-CE 3.36Å; S38-K127 PolarHBondContact O-NZ 3.29Å
39Q73Confident82.8Confident128 Ų12845.2 Ų45.260%0.59823%0.226SC*.THydrogen-bonded Turntrans-114.5-34.4-174.4-171.2176.11200113.4Q36 V37Q36-Q39 PolarHBondContact O-N 3.19Å; V37-Q39 PolarHBondContact O-N 2.78Å
40Y80.6Confident82.5Confident64 Ų6450.2 Ų50.225%0.25126%0.258SS..SBendtrans-131.5154.8-179.3-58.1-77.8000110.4L17 V20 Q36 V37 L42L17-Y40 HydrophobicContact CD2-CD1 3.81Å; L17-Y40 HydrophobicContact CD2-CE1 4.08Å; V20-Y40 HydrophobicContact CB-CE2 4.49Å; V20-Y40 HydrophobicContact CG1-CD2 3.72Å; V20-Y40 HydrophobicContact CG1-CE2 3.95Å; V20-Y40 HydrophobicContact CG1-CG 4.3Å; V20-Y40 HydrophobicContact CG2-CD2 4.26Å; V20-Y40 HydrophobicContact CG2-CE1 4.42Å; V20-Y40 HydrophobicContact CG2-CE2 3.7Å; Q36-Y40 PolarHBondContact O-N 3.27Å; V37-Y40 CarbonylContact C-O 3.52Å; V37-Y40 WeakPolarHBondContact CA-O 3.46Å; Y40-L42 PolarHBondContact O-N 2.88Å
41G87.6Confident82.2Confident1 Ų151.6 Ų51.61%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-69.8118.5160.500000107.9A123 Y124 H126G41-A123 CarbonylContact O-C 3.43Å; G41-A123 VanDerWaalsContact O-CA 3.31Å; G41-A123 WeakPolarHBondContact O-CA 3.28Å; G41-Y124 WeakPolarHBondContact O-CD2 3.45Å; G41-Y124 PolarHBondContact O-N 3.19Å; G41-H126 WeakPolarHBondContact CA-O 3.18Å; G41-H126 PolarHBondContact N-O 2.96Å; G41-H126 VanDerWaalsContact N-O 3.08Å
42L91.8Very high82.2Confident4 Ų455.5 Ų55.52%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-119.6126.9177.1-65.6176.9000110V20 V24 V33 Q36 Y40 A88 V121 C122 A123V20-L42 HydrophobicContact CG1-CD2 4.22Å; V24-L42 HydrophobicContact CG2-CD1 4.31Å; V33-L42 HydrophobicContact CG1-CB 3.78Å; V33-L42 HydrophobicContact CG1-CD1 4.39Å; Q36-L42 HydrophobicContact CB-CD1 3.45Å; Q36-L42 VanDerWaalsContact CB-CD1 3.45Å; Y40-L42 PolarHBondContact O-N 2.88Å; L42-A88 VanDerWaalsContact O-CB 3.31Å; L42-A88 WeakPolarHBondContact O-CB 3.32Å; L42-V121 HydrophobicContact CD2-CG1 4.29Å; L42-C122 WeakPolarHBondContact CA-O 3.45Å; L42-A123 HydrophobicContact CD2-CB 3.53Å
43A92.7Very high82.4Confident0 Ų063.5 Ų63.50%031%0.31CS..EExtended strand (participates in β ladder)trans-120.3149.9169.900000109.2I63 S85 F89 V121 C122 Y124A43-I63 HydrophobicContact CB-CD1 3.43Å; A43-I63 VanDerWaalsContact CB-CD1 3.43Å; A43-I63 HydrophobicContact CB-CG1 4.05Å; A43-I63 HydrophobicContact CB-CG2 4.26Å; A43-S85 VanDerWaalsContact CA-OG 3.25Å; A43-S85 WeakPolarHBondContact CA-OG 3.4Å; A43-S85 WeakPolarHBondContact CB-O 3.28Å; A43-S85 WeakPolarHBondContact CB-OG 3.46Å; A43-F89 HydrophobicContact CB-CB 4.31Å; A43-V121 CarbonylContact O-C 3.55Å; A43-V121 WeakPolarHBondContact O-CA 2.96Å; A43-C122 PolarHBondContact N-O 2.86Å; A43-C122 PolarHBondContact O-N 3.22Å; A43-Y124 HydrophobicContact CB-CE2 3.79Å
44F91.5Very high82.6Confident18 Ų1863.9 Ų63.98%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-144165.9-177.763.2-85000110.9I30 V33 F46 I81 S85 F119 G120 V121I30-F44 HydrophobicContact CD1-CE2 4.31Å; I30-F44 HydrophobicContact CG2-CZ 4.46Å; V33-F44 HydrophobicContact CB-CD1 4.16Å; V33-F44 HydrophobicContact CG1-CD1 3.59Å; V33-F44 HydrophobicContact CG1-CE1 3.99Å; V33-F44 HydrophobicContact CG2-CB 4.27Å; V33-F44 HydrophobicContact CG2-CD1 3.83Å; V33-F44 HydrophobicContact CG2-CG 4.15Å; F44-F46 HydrophobicContact CD2-CD2 4.5Å; F44-F46 HydrophobicContact CD2-CE1 4.45Å; F44-F46 AromaticContact CD2-CE2 3.57Å; F44-F46 HydrophobicContact CD2-CE2 3.57Å; F44-F46 AromaticContact CD2-CZ 3.5Å; F44-F46 HydrophobicContact CD2-CZ 3.5Å; F44-F46 AromaticContact CE2-CE2 3.52Å; F44-F46 HydrophobicContact CE2-CE2 3.52Å; F44-F46 AromaticContact CE2-CZ 3.75Å; F44-F46 HydrophobicContact CE2-CZ 3.75Å; F44-I81 HydrophobicContact CE1-CG2 4.25Å; F44-I81 HydrophobicContact CE2-CG2 4.03Å; F44-I81 HydrophobicContact CZ-CG2 3.33Å; F44-S85 PolarHBondContact N-OG 2.98Å; F44-S85 PolarHBondContact O-OG 3.03Å; F44-F119 HydrophobicContact CB-CE2 3.72Å; F44-F119 HydrophobicContact CB-CZ 4.32Å; F44-F119 HydrophobicContact CD2-CE2 4.09Å; F44-F119 HydrophobicContact CG-CE2 4.1Å; F44-G120 CarbonylContact C-O 3.14Å; F44-G120 WeakPolarHBondContact CA-O 3.32Å; F44-G120 VanDerWaalsContact CB-O 3.31Å; F44-G120 WeakPolarHBondContact CB-O 3.3Å; F44-V121 HydrophobicContact CB-CG2 4.19Å
45F90.2Very high82.9Confident17 Ų1761 Ų618%0.07531%0.308CS..EExtended strand (participates in β ladder)trans-152.4165.8177.582.4-74.9000111.3P54 F59 E62 L101 G120F45-P54 HydrophobicContact CE2-CB 3.3Å; F45-P54 HydrophobicContact CE2-CG 3.35Å; F45-P54 HydrophobicContact CZ-CB 3.56Å; F45-P54 HydrophobicContact CZ-CG 3.31Å; F45-F59 HydrophobicContact CB-CD2 3.7Å; F45-F59 HydrophobicContact CB-CE2 4.09Å; F45-F59 HydrophobicContact CD1-CB 4.32Å; F45-F59 AromaticContact CD1-CD2 2.95Å; F45-F59 HydrophobicContact CD1-CD2 2.95Å; F45-F59 AromaticContact CD1-CE2 3.35Å; F45-F59 HydrophobicContact CD1-CE2 3.35Å; F45-F59 HydrophobicContact CD1-CG 4Å; F45-F59 HydrophobicContact CD2-CD2 4.34Å; F45-F59 HydrophobicContact CE1-CB 4.07Å; F45-F59 AromaticContact CE1-CD2 3.36Å; F45-F59 HydrophobicContact CE1-CD2 3.36Å; F45-F59 AromaticContact CE1-CE2 3.95Å; F45-F59 HydrophobicContact CE1-CE2 3.95Å; F45-F59 HydrophobicContact CE1-CG 4.01Å; F45-F59 AromaticContact CG-CD2 3.43Å; F45-F59 HydrophobicContact CG-CD2 3.43Å; F45-F59 VanDerWaalsContact CG-CD2 3.43Å; F45-F59 HydrophobicContact CG-CE2 4.05Å; F45-F59 HydrophobicContact CG-CG 4.46Å; F45-F59 HydrophobicContact CZ-CB 4.25Å; F45-F59 HydrophobicContact CZ-CD2 4.26Å; F45-E62 HydrophobicContact CB-CB 4.14Å; F45-E62 HydrophobicContact CB-CG 3.83Å; F45-L101 HydrophobicContact CE1-CD1 3.96Å; F45-L101 HydrophobicContact CZ-CD1 3.69Å; F45-G120 VanDerWaalsContact CD1-CA 3.47Å; F45-G120 WeakPolarHBondContact CD1-O 3.37Å; F45-G120 PolarHBondContact N-O 3.2Å; F45-G120 PolarHBondContact O-N 3.42Å; F45-G120 VanDerWaalsContact O-N 3.12Å
46F88.6Confident83.1Confident47 Ų4760.9 Ų60.921%0.20631%0.306CS..EExtended strand (participates in β ladder)trans-126.3150.2175.6-50.8-76.1000110.8I30 F44 V107 A110 Y118 F119I30-F46 HydrophobicContact CD1-CE1 4.46Å; I30-F46 HydrophobicContact CD1-CE2 3.94Å; I30-F46 HydrophobicContact CD1-CZ 3.44Å; I30-F46 VanDerWaalsContact CD1-CZ 3.44Å; I30-F46 HydrophobicContact CG1-CE1 4.4Å; I30-F46 HydrophobicContact CG1-CZ 3.69Å; F44-F46 HydrophobicContact CD2-CD2 4.5Å; F44-F46 HydrophobicContact CD2-CE1 4.45Å; F44-F46 AromaticContact CD2-CE2 3.57Å; F44-F46 HydrophobicContact CD2-CE2 3.57Å; F44-F46 AromaticContact CD2-CZ 3.5Å; F44-F46 HydrophobicContact CD2-CZ 3.5Å; F44-F46 AromaticContact CE2-CE2 3.52Å; F44-F46 HydrophobicContact CE2-CE2 3.52Å; F44-F46 AromaticContact CE2-CZ 3.75Å; F44-F46 HydrophobicContact CE2-CZ 3.75Å; F46-V107 HydrophobicContact CD1-CG1 4.43Å; F46-V107 HydrophobicContact CD1-CG2 4.45Å; F46-V107 HydrophobicContact CE1-CB 4.2Å; F46-V107 HydrophobicContact CE1-CG1 3.62Å; F46-V107 HydrophobicContact CE1-CG2 4.39Å; F46-V107 HydrophobicContact CZ-CG1 4.39Å; F46-A110 HydrophobicContact CD1-CB 4.45Å; F46-A110 HydrophobicContact CE1-CB 4.18Å; F46-A110 HydrophobicContact CZ-CB 4.27Å; F46-Y118 VanDerWaalsContact CA-O 3.3Å; F46-Y118 WeakPolarHBondContact CA-O 3.12Å; F46-F119 AromaticContact CD1-CD2 3.69Å; F46-F119 HydrophobicContact CD1-CD2 3.69Å; F46-F119 HydrophobicContact CD1-CE2 4.35Å; F46-F119 HydrophobicContact CD1-CG 4.48Å; F46-F119 AromaticContact CE1-CD2 3.19Å; F46-F119 HydrophobicContact CE1-CD2 3.19Å; F46-F119 AromaticContact CE1-CE2 3.46Å; F46-F119 HydrophobicContact CE1-CE2 3.46Å; F46-F119 VanDerWaalsContact CE1-CE2 3.46Å; F46-F119 HydrophobicContact CE1-CG 4.13Å; F46-F119 HydrophobicContact CZ-CD2 4.02Å; F46-F119 AromaticContact CZ-CE2 3.84Å; F46-F119 HydrophobicContact CZ-CE2 3.84Å
47K88.1Confident83.4Confident34 Ų3463.9 Ų63.915%0.14832%0.32CS..EExtended strand (participates in β ladder)trans-143.7122.5164.4-170.2171-173.9-177.90109.1D51 E52 P54 E58 Q117 Y118K47-D51 HydrophobicContact CD-CB 4.44Å; K47-D51 HydrophobicContact CG-CB 4.17Å; K47-E52 WeakPolarHBondContact CD-O 3.29Å; K47-E52 VanDerWaalsContact CE-O 3.24Å; K47-E52 WeakPolarHBondContact CE-O 3.36Å; K47-E52 PolarHBondContact NZ-O 3.43Å; K47-P54 HydrophobicContact CB-CB 4.45Å; K47-P54 HydrophobicContact CB-CG 4.44Å; K47-P54 HydrophobicContact CD-CB 3.78Å; K47-P54 HydrophobicContact CD-CG 4.36Å; K47-E58 IonicContact NZ-OE1 3.62Å; K47-E58 PolarHBondContact NZ-OE1 3.3Å; K47-E58 IonicContact NZ-OE2 3.89Å; K47-E58 PolarHBondContact NZ-OE2 2.94Å; K47-Q117 CarbonylContact O-C 3.57Å; K47-Q117 WeakPolarHBondContact O-CA 3.48Å; K47-Y118 HydrophobicContact CB-CD2 4.35Å; K47-Y118 PolarHBondContact N-O 3.31Å; K47-Y118 PolarHBondContact O-N 3.13Å
48L87.3Confident83.9Confident75 Ų7564.5 Ų64.539%0.39332%0.321SS..EExtended strand (participates in β ladder)trans-66.4140.3-175.8-66.4175.9000111D51 D112 Q117L48-D51 WeakPolarHBondContact O-CB 3.49Å; L48-D51 PolarHBondContact O-N 2.74Å; L48-D51 VanDerWaalsContact O-N 3.12Å; L48-D112 HydrophobicContact CD2-CB 4.38Å; L48-Q117 HydrophobicContact CD2-CB 4.18Å
49L85Confident84.8Confident48 Ų4861 Ų6125%0.25130%0.295SS..THydrogen-bonded Turntrans-80.5148.5164.3-8596.8000109.7T103 E116 Q117 Y118L49-T103 HydrophobicContact CD1-CG2 4.06Å; L49-E116 HydrophobicContact CB-CB 4.3Å; L49-E116 HydrophobicContact CB-CG 4.26Å; L49-E116 HydrophobicContact CD1-CG 4.07Å; L49-E116 PolarHBondContact N-O 2.75Å; L49-Q117 VanDerWaalsContact CD1-C 3.48Å; L49-Y118 HydrophobicContact CD1-CD1 4.34Å; L49-Y118 HydrophobicContact CD1-CD2 3.69Å; L49-Y118 HydrophobicContact CD1-CE1 4.33Å; L49-Y118 HydrophobicContact CD1-CE2 3.68Å; L49-Y118 HydrophobicContact CD1-CG 4.03Å; L49-Y118 HydrophobicContact CD2-CE2 4.33Å; L49-Y118 HydrophobicContact CG-CD2 4.24Å; L49-Y118 HydrophobicContact CG-CE2 3.79Å
50P87Confident85.5Confident127 Ų12757.4 Ų57.483%0.82528%0.282SS*.THydrogen-bonded Turncis-92.727.613.538.9-37.7000114.9
51D82.2Confident85.6Confident34 Ų3456.5 Ų56.518%0.18228%0.28CS..SBendtrans-59.6159.7177.8-59.2-13.1000111.9K47 L48 Y118 Y245K47-D51 HydrophobicContact CD-CB 4.44Å; K47-D51 HydrophobicContact CG-CB 4.17Å; L48-D51 WeakPolarHBondContact O-CB 3.49Å; L48-D51 PolarHBondContact O-N 2.74Å; L48-D51 VanDerWaalsContact O-N 3.12Å; D51-Y118 WeakPolarHBondContact O-CE2 3.17Å; D51-Y245 PolarHBondContact OD1-OH 2.87Å
52E82.6Confident85.6Confident167 Ų16760.7 Ų60.778%0.7830%0.3SS*.PPolyproline II helixtrans-63.1148.8176.6-66-173.6175.100111.4K47K47-E52 WeakPolarHBondContact CD-O 3.29Å; K47-E52 VanDerWaalsContact CE-O 3.24Å; K47-E52 WeakPolarHBondContact CE-O 3.36Å; K47-E52 PolarHBondContact NZ-O 3.43Å
53R82.5Confident85.4Confident178 Ų17860.7 Ų60.767%0.67230%0.3SS*.PPolyproline II helixtrans-50.2130.3176.9-177.6-177175.7168.41.7109.6L101 Y118R53-L101 HydrophobicContact CG-CD2 3.71Å; R53-Y118 HydrophobicContact CG-CE1 4.48Å
54P83.7Confident85.2Confident15 Ų1561.7 Ų61.710%0.09730%0.304CS..PPolyproline II helixtrans-64.5145.7-175.823.1-34.1000113.6F45 K47 E58 L101 Y118F45-P54 HydrophobicContact CE2-CB 3.3Å; F45-P54 HydrophobicContact CE2-CG 3.35Å; F45-P54 HydrophobicContact CZ-CB 3.56Å; F45-P54 HydrophobicContact CZ-CG 3.31Å; K47-P54 HydrophobicContact CB-CB 4.45Å; K47-P54 HydrophobicContact CB-CG 4.44Å; K47-P54 HydrophobicContact CD-CB 3.78Å; K47-P54 HydrophobicContact CD-CG 4.36Å; P54-E58 WeakPolarHBondContact CA-OE2 3.36Å; P54-L101 HydrophobicContact CG-CD1 3.86Å; P54-L101 HydrophobicContact CG-CD2 3.99Å; P54-Y118 HydrophobicContact CG-CG 4.33Å
55T81.6Confident84.8Confident56 Ų5662.4 Ų62.434%0.34431%0.309SS..PPolyproline II helixtrans-84.3166.5169.963.90000111.2E57 E58 F59T55-E57 WeakPolarHBondContact CB-OE2 3.5Å; T55-E58 PolarHBondContact N-OE2 3.13Å; T55-E58 VanDerWaalsContact OG1-CG 3.31Å; T55-E58 WeakPolarHBondContact OG1-CG 3.31Å; T55-E58 PolarHBondContact OG1-N 2.92Å; T55-E58 PolarHBondContact OG1-OE2 3.41Å; T55-F59 PolarHBondContact O-N 2.98Å
56M80.8Confident84.7Confident101 Ų10161.6 Ų61.650%0.49831%0.306SS..Hα-helixtrans-70.7-28.7175.3-172.46067.100111F59 V60 C99M56-F59 WeakPolarHBondContact O-CB 3.34Å; M56-F59 PolarHBondContact O-N 2.79Å; M56-F59 HydrophobicContact SD-CB 4.37Å; M56-F59 HydrophobicContact SD-CD1 3.57Å; M56-F59 VanDerWaalsContact SD-CD1 3.57Å; M56-F59 HydrophobicContact SD-CE1 4.32Å; M56-F59 HydrophobicContact SD-CG 4.3Å; M56-V60 WeakPolarHBondContact O-CG2 3.39Å; M56-V60 PolarHBondContact O-N 3.44Å; M56-V60 VanDerWaalsContact O-N 3.07Å; M56-C99 HydrophobicContact CE-CB 4.3Å
57E78.2Confident84.6Confident116 Ų11660.2 Ų60.254%0.54230%0.301SS..Hα-helixtrans-63-51.6174.8-66.473.6-166.700110.8T55 F59 V60 E61T55-E57 WeakPolarHBondContact CB-OE2 3.5Å; E57-F59 VanDerWaalsContact C-N 3.25Å; E57-F59 PolarHBondContact O-N 3.49Å; E57-V60 PolarHBondContact O-N 2.8Å; E57-V60 VanDerWaalsContact O-N 3.15Å; E57-E61 WeakPolarHBondContact O-CG 3.44Å; E57-E61 PolarHBondContact O-N 2.84Å
58E80.2Confident84.4Confident44 Ų4460.1 Ų60.121%0.20630%0.303CS..Hα-helixtrans-58.4-38.2175.5-72.8170.9148.200111.8K47 P54 T55 E61 E62K47-E58 IonicContact NZ-OE1 3.62Å; K47-E58 PolarHBondContact NZ-OE1 3.3Å; K47-E58 IonicContact NZ-OE2 3.89Å; K47-E58 PolarHBondContact NZ-OE2 2.94Å; P54-E58 WeakPolarHBondContact CA-OE2 3.36Å; T55-E58 PolarHBondContact N-OE2 3.13Å; T55-E58 VanDerWaalsContact OG1-CG 3.31Å; T55-E58 WeakPolarHBondContact OG1-CG 3.31Å; T55-E58 PolarHBondContact OG1-N 2.92Å; T55-E58 PolarHBondContact OG1-OE2 3.41Å; E58-E61 PolarHBondContact O-N 2.98Å; E58-E62 WeakPolarHBondContact O-CB 3.33Å; E58-E62 PolarHBondContact O-N 2.84Å
59F86.1Confident84.4Confident6 Ų657.6 Ų57.63%0.02629%0.291CS..Hα-helixtrans-59.8-48.3175.2169.9-112.3000112.8F45 T55 M56 E57 E61 E62 I63 C122F45-F59 HydrophobicContact CB-CD2 3.7Å; F45-F59 HydrophobicContact CB-CE2 4.09Å; F45-F59 HydrophobicContact CD1-CB 4.32Å; F45-F59 AromaticContact CD1-CD2 2.95Å; F45-F59 HydrophobicContact CD1-CD2 2.95Å; F45-F59 AromaticContact CD1-CE2 3.35Å; F45-F59 HydrophobicContact CD1-CE2 3.35Å; F45-F59 HydrophobicContact CD1-CG 4Å; F45-F59 HydrophobicContact CD2-CD2 4.34Å; F45-F59 HydrophobicContact CE1-CB 4.07Å; F45-F59 AromaticContact CE1-CD2 3.36Å; F45-F59 HydrophobicContact CE1-CD2 3.36Å; F45-F59 AromaticContact CE1-CE2 3.95Å; F45-F59 HydrophobicContact CE1-CE2 3.95Å; F45-F59 HydrophobicContact CE1-CG 4.01Å; F45-F59 AromaticContact CG-CD2 3.43Å; F45-F59 HydrophobicContact CG-CD2 3.43Å; F45-F59 VanDerWaalsContact CG-CD2 3.43Å; F45-F59 HydrophobicContact CG-CE2 4.05Å; F45-F59 HydrophobicContact CG-CG 4.46Å; F45-F59 HydrophobicContact CZ-CB 4.25Å; F45-F59 HydrophobicContact CZ-CD2 4.26Å; T55-F59 PolarHBondContact O-N 2.98Å; M56-F59 WeakPolarHBondContact O-CB 3.34Å; M56-F59 PolarHBondContact O-N 2.79Å; M56-F59 HydrophobicContact SD-CB 4.37Å; M56-F59 HydrophobicContact SD-CD1 3.57Å; M56-F59 VanDerWaalsContact SD-CD1 3.57Å; M56-F59 HydrophobicContact SD-CE1 4.32Å; M56-F59 HydrophobicContact SD-CG 4.3Å; E57-F59 VanDerWaalsContact C-N 3.25Å; E57-F59 PolarHBondContact O-N 3.49Å; F59-E61 VanDerWaalsContact C-N 3.33Å; F59-E62 PolarHBondContact O-N 3.4Å; F59-I63 HydrophobicContact CD1-CD1 3.97Å; F59-I63 HydrophobicContact CD2-CD1 3.73Å; F59-I63 HydrophobicContact CD2-CG1 4.28Å; F59-I63 HydrophobicContact CE1-CD1 3.33Å; F59-I63 HydrophobicContact CE2-CD1 3.18Å; F59-I63 HydrophobicContact CE2-CG1 3.96Å; F59-I63 HydrophobicContact CG-CD1 4.18Å; F59-I63 HydrophobicContact CZ-CD1 2.98Å; F59-I63 HydrophobicContact CZ-CG1 4.2Å; F59-I63 WeakPolarHBondContact O-CG1 3.48Å; F59-I63 PolarHBondContact O-N 2.92Å; F59-I63 VanDerWaalsContact O-N 3.07Å; F59-C122 HydrophobicContact CE1-CB 3.82Å; F59-C122 WeakPolarHBondContact CE1-SG 3.47Å; F59-C122 HydrophobicContact CZ-CB 3.54Å; F59-C122 WeakPolarHBondContact CZ-SG 3.36Å
60V86.5Confident84.5Confident53 Ų5355.9 Ų55.932%0.32128%0.281SS..Hα-helixtrans-65.4-40.1179.8169.90000110.7M56 E57 Y64 F89M56-V60 WeakPolarHBondContact O-CG2 3.39Å; M56-V60 PolarHBondContact O-N 3.44Å; M56-V60 VanDerWaalsContact O-N 3.07Å; E57-V60 PolarHBondContact O-N 2.8Å; E57-V60 VanDerWaalsContact O-N 3.15Å; V60-Y64 VanDerWaalsContact O-CB 3.26Å; V60-Y64 WeakPolarHBondContact O-CB 3.32Å; V60-Y64 PolarHBondContact O-N 3.01Å; V60-F89 HydrophobicContact CG1-CE2 4.08Å; V60-F89 HydrophobicContact CG1-CZ 3.7Å; V60-F89 HydrophobicContact CG2-CE2 4.25Å
61E84.3Confident84.5Confident46 Ų4651 Ų5122%0.21525%0.249CC..Hα-helixtrans-61.6-47176.5-73.2175.2177.800111.7E57 E58 F59 Y64 T65E57-E61 WeakPolarHBondContact O-CG 3.44Å; E57-E61 PolarHBondContact O-N 2.84Å; E58-E61 PolarHBondContact O-N 2.98Å; F59-E61 VanDerWaalsContact C-N 3.33Å; E61-Y64 WeakPolarHBondContact O-CB 3.37Å; E61-Y64 PolarHBondContact O-N 2.8Å; E61-T65 WeakPolarHBondContact O-CG2 3.45Å; E61-T65 PolarHBondContact O-N 3.11Å
62E86.1Confident84.5Confident89 Ų8951.6 Ų51.642%0.41625%0.249SC..Hα-helixtrans-61.7-47179.2-175.661.3-166.100111.5F45 E58 F59 Y64 T65F45-E62 HydrophobicContact CB-CB 4.14Å; F45-E62 HydrophobicContact CB-CG 3.83Å; E58-E62 WeakPolarHBondContact O-CB 3.33Å; E58-E62 PolarHBondContact O-N 2.84Å; F59-E62 PolarHBondContact O-N 3.4Å; E62-Y64 VanDerWaalsContact C-N 3.28Å; E62-Y64 PolarHBondContact O-N 2.81Å; E62-T65 WeakPolarHBondContact O-CB 3.46Å; E62-T65 PolarHBondContact O-N 3.43Å; E62-T65 PolarHBondContact O-OG1 3Å
63I88.8Confident84.6Confident4 Ų447.2 Ų47.22%0.02124%0.241CC..Hα-helixtrans-62.9-38.5176.1-68.4164.9000111.6A43 F59 T65 G66 F89A43-I63 HydrophobicContact CB-CD1 3.43Å; A43-I63 VanDerWaalsContact CB-CD1 3.43Å; A43-I63 HydrophobicContact CB-CG1 4.05Å; A43-I63 HydrophobicContact CB-CG2 4.26Å; F59-I63 HydrophobicContact CD1-CD1 3.97Å; F59-I63 HydrophobicContact CD2-CD1 3.73Å; F59-I63 HydrophobicContact CD2-CG1 4.28Å; F59-I63 HydrophobicContact CE1-CD1 3.33Å; F59-I63 HydrophobicContact CE2-CD1 3.18Å; F59-I63 HydrophobicContact CE2-CG1 3.96Å; F59-I63 HydrophobicContact CG-CD1 4.18Å; F59-I63 HydrophobicContact CZ-CD1 2.98Å; F59-I63 HydrophobicContact CZ-CG1 4.2Å; F59-I63 WeakPolarHBondContact O-CG1 3.48Å; F59-I63 PolarHBondContact O-N 2.92Å; F59-I63 VanDerWaalsContact O-N 3.07Å; I63-T65 PolarHBondContact O-N 2.94Å; I63-G66 PolarHBondContact O-N 3.08Å; I63-F89 HydrophobicContact CG2-CB 3.48Å; I63-F89 VanDerWaalsContact CG2-CB 3.48Å; I63-F89 HydrophobicContact CG2-CD1 3.96Å; I63-F89 HydrophobicContact CG2-CG 3.78Å
64Y87.1Confident84.8Confident21 Ų2141.7 Ų41.78%0.08223%0.233CC..Hα-helixtrans-61.6-30.4-179.6-168.6-77.2000111.5L2 V60 E61 E62 G66 V67 F89 M300 F308L2-Y64 HydrophobicContact CD2-CE2 3.67Å; L2-Y64 HydrophobicContact CG-CD2 4.4Å; L2-Y64 HydrophobicContact CG-CE2 3.67Å; V60-Y64 VanDerWaalsContact O-CB 3.26Å; V60-Y64 WeakPolarHBondContact O-CB 3.32Å; V60-Y64 PolarHBondContact O-N 3.01Å; E61-Y64 WeakPolarHBondContact O-CB 3.37Å; E61-Y64 PolarHBondContact O-N 2.8Å; E62-Y64 VanDerWaalsContact C-N 3.28Å; E62-Y64 PolarHBondContact O-N 2.81Å; Y64-G66 PolarHBondContact O-N 2.93Å; Y64-G66 VanDerWaalsContact O-N 3.07Å; Y64-V67 HydrophobicContact CD1-CG1 4.11Å; Y64-V67 HydrophobicContact CE1-CG1 3.88Å; Y64-V67 VanDerWaalsContact O-CB 3.31Å; Y64-V67 WeakPolarHBondContact O-CB 3.39Å; Y64-V67 WeakPolarHBondContact O-CG1 3.36Å; Y64-V67 PolarHBondContact O-N 3.28Å; Y64-F89 HydrophobicContact CD2-CE1 4.47Å; Y64-M300 HydrophobicContact CE1-CE 3.54Å; Y64-M300 HydrophobicContact CE1-SD 3.79Å; Y64-F308 AromaticContact CD1-CD1 3.61Å; Y64-F308 HydrophobicContact CD1-CD1 3.61Å; Y64-F308 AromaticContact CD1-CE1 3.28Å; Y64-F308 HydrophobicContact CD1-CE1 3.28Å; Y64-F308 HydrophobicContact CD1-CG 4.41Å; Y64-F308 AromaticContact CD1-CZ 3.85Å; Y64-F308 HydrophobicContact CD1-CZ 3.85Å; Y64-F308 HydrophobicContact CE1-CD1 4.14Å; Y64-F308 AromaticContact CE1-CE1 3.92Å; Y64-F308 HydrophobicContact CE1-CE1 3.92Å; Y64-F308 HydrophobicContact CE1-CZ 4.11Å; Y64-F308 HydrophobicContact CG-CE1 4.14Å
65T84.9Confident85Confident32 Ų3242.3 Ų42.320%0.19624%0.238CC..Hα-helixtrans-56.4-25174.373.50000113.2E61 E62 I63 V67 N68 F308E61-T65 WeakPolarHBondContact O-CG2 3.45Å; E61-T65 PolarHBondContact O-N 3.11Å; E62-T65 WeakPolarHBondContact O-CB 3.46Å; E62-T65 PolarHBondContact O-N 3.43Å; E62-T65 PolarHBondContact O-OG1 3Å; I63-T65 PolarHBondContact O-N 2.94Å; T65-V67 PolarHBondContact O-N 2.73Å; T65-V67 VanDerWaalsContact O-N 3.07Å; T65-N68 VanDerWaalsContact O-CB 3.28Å; T65-N68 WeakPolarHBondContact O-CB 3.48Å; T65-N68 VanDerWaalsContact O-CG 3.28Å; T65-N68 PolarHBondContact O-N 3.28Å; T65-N68 PolarHBondContact O-ND2 2.91Å; T65-F308 HydrophobicContact CG2-CD1 4.17Å
66G87.1Confident85.4Confident1 Ų142 Ų421%0.0124%0.238CC..G310 helixtrans-61.9-13.5174.600000114.4I63 Y64 N68 S69I63-G66 PolarHBondContact O-N 3.08Å; Y64-G66 PolarHBondContact O-N 2.93Å; Y64-G66 VanDerWaalsContact O-N 3.07Å; G66-N68 PolarHBondContact O-N 2.74Å; G66-S69 PolarHBondContact O-N 2.88Å
67V85.6Confident85.8Confident17 Ų1739 Ų3910%0.10323%0.226CC..G310 helixtrans-57.7-31.616876.50000112.1Y64 T65 S69 Y70 F86 M300Y64-V67 HydrophobicContact CD1-CG1 4.11Å; Y64-V67 HydrophobicContact CE1-CG1 3.88Å; Y64-V67 VanDerWaalsContact O-CB 3.31Å; Y64-V67 WeakPolarHBondContact O-CB 3.39Å; Y64-V67 WeakPolarHBondContact O-CG1 3.36Å; Y64-V67 PolarHBondContact O-N 3.28Å; T65-V67 PolarHBondContact O-N 2.73Å; T65-V67 VanDerWaalsContact O-N 3.07Å; V67-S69 PolarHBondContact O-N 2.78Å; V67-Y70 PolarHBondContact O-N 2.94Å; V67-Y70 VanDerWaalsContact O-N 3.09Å; V67-F86 HydrophobicContact CB-CD2 4.13Å; V67-F86 HydrophobicContact CB-CE1 4.22Å; V67-F86 HydrophobicContact CB-CE2 3.73Å; V67-F86 HydrophobicContact CB-CZ 3.78Å; V67-F86 HydrophobicContact CG2-CE1 4.1Å; V67-F86 HydrophobicContact CG2-CE2 4.11Å; V67-F86 HydrophobicContact CG2-CZ 3.67Å; V67-M300 HydrophobicContact CG1-SD 4.28Å
68N85.2Confident86.2Confident33 Ų3339.1 Ų39.118%0.17624%0.235CC..G310 helixtrans-62.9-23.8177.3-62-40.7000111.9T65 G66 F308T65-N68 VanDerWaalsContact O-CB 3.28Å; T65-N68 WeakPolarHBondContact O-CB 3.48Å; T65-N68 VanDerWaalsContact O-CG 3.28Å; T65-N68 PolarHBondContact O-N 3.28Å; T65-N68 PolarHBondContact O-ND2 2.91Å; G66-N68 PolarHBondContact O-N 2.74Å; N68-F308 PolarHBondContact ND2-N 2.93Å; N68-F308 WeakPolarHBondContact OD1-CB 3.21Å; N68-F308 PolarHBondContact OD1-N 3.03Å
69S87.3Confident86.3Confident21 Ų2140.6 Ų40.615%0.14724%0.244CC..G310 helixtrans-98.45.1-179.9-59.90000113.1G66 V67 C77 V78G66-S69 PolarHBondContact O-N 2.88Å; V67-S69 PolarHBondContact O-N 2.78Å; S69-C77 CarbonylContact O-C 3.59Å; S69-C77 WeakPolarHBondContact O-CA 3.28Å; S69-V78 PolarHBondContact O-N 3.41Å
70Y87.1Confident86.1Confident12 Ų1246 Ų465%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-117.2121.8-178.4-178.6-121.9000112.5V67 Y72 F86 L87 P134V67-Y70 PolarHBondContact O-N 2.94Å; V67-Y70 VanDerWaalsContact O-N 3.09Å; Y70-Y72 AromaticContact CE1-CD2 3.89Å; Y70-Y72 HydrophobicContact CE1-CD2 3.89Å; Y70-Y72 HydrophobicContact CE1-CG 4.35Å; Y70-Y72 PolarHBondContact O-N 3.28Å; Y70-F86 HydrophobicContact CD1-CD1 4.43Å; Y70-F86 AromaticContact CD1-CE1 3.91Å; Y70-F86 HydrophobicContact CD1-CE1 3.91Å; Y70-F86 HydrophobicContact CG-CE1 4.41Å; Y70-L87 HydrophobicContact CD1-CD2 4.22Å; Y70-L87 HydrophobicContact CD2-CD1 4.41Å; Y70-L87 HydrophobicContact CD2-CD2 3.86Å; Y70-L87 HydrophobicContact CD2-CG 4.43Å; Y70-L87 HydrophobicContact CE1-CD2 4.04Å; Y70-L87 HydrophobicContact CE2-CD1 4.34Å; Y70-L87 HydrophobicContact CE2-CD2 3.69Å; Y70-L87 HydrophobicContact CG-CD2 4.12Å; Y70-P134 HydrophobicContact CE1-CG 4.11Å; Y70-P134 WeakPolarHBondContact OH-CD 3.33Å
71D86.1Confident85.9Confident26 Ų2645.4 Ų45.414%0.13926%0.264CS..EExtended strand (participates in β ladder)trans-89.7100.5168.2-171.2-34.8000109.4A73 A74 S75 S76 Y302D71-A73 VanDerWaalsContact C-N 3.28Å; D71-A73 PolarHBondContact O-N 3.33Å; D71-A73 WeakPolarHBondContact OD1-CA 3.49Å; D71-A73 WeakPolarHBondContact OD1-CB 3.49Å; D71-A73 PolarHBondContact OD1-N 3.48Å; D71-A74 HydrophobicContact CB-CB 4.05Å; D71-A74 PolarHBondContact O-N 3.31Å; D71-A74 PolarHBondContact OD1-N 2.93Å; D71-S75 WeakPolarHBondContact O-CA 3.36Å; D71-S75 PolarHBondContact O-N 2.85Å; D71-S76 PolarHBondContact N-O 2.85Å; D71-S76 PolarHBondContact O-N 3.48Å; D71-Y302 HydrophobicContact CB-CE1 4.27Å; D71-Y302 WeakPolarHBondContact OD2-CE1 3.15Å; D71-Y302 PolarHBondContact OD2-OH 3.24Å
72Y83.7Confident85.9Confident46 Ų4645 Ų4518%0.1827%0.265CS..THydrogen-bonded Turntrans-60.7-34.5178.7-177.5-86.3000113.4Y70 R133 Y135 S137Y70-Y72 AromaticContact CE1-CD2 3.89Å; Y70-Y72 HydrophobicContact CE1-CD2 3.89Å; Y70-Y72 HydrophobicContact CE1-CG 4.35Å; Y70-Y72 PolarHBondContact O-N 3.28Å; Y72-R133 HydrophobicContact CE2-CB 4.18Å; Y72-R133 HydrophobicContact CE2-CG 4.22Å; Y72-R133 PolarHBondContact O-NE 2.98Å; Y72-Y135 AromaticContact CD2-CE2 3.87Å; Y72-Y135 HydrophobicContact CD2-CE2 3.87Å; Y72-Y135 AromaticContact CD2-CZ 3.8Å; Y72-Y135 AromaticContact CE2-CD2 3.8Å; Y72-Y135 HydrophobicContact CE2-CD2 3.8Å; Y72-Y135 HydrophobicContact CE2-CE1 4.47Å; Y72-Y135 AromaticContact CE2-CE2 3.4Å; Y72-Y135 HydrophobicContact CE2-CE2 3.4Å; Y72-Y135 HydrophobicContact CE2-CG 4.49Å; Y72-Y135 AromaticContact CE2-CZ 3.77Å; Y72-Y135 WeakPolarHBondContact CE2-O 3.46Å; Y72-Y135 PolarHBondContact OH-O 3.37Å; Y72-S137 WeakPolarHBondContact CE1-OG 3.31Å; Y72-S137 VanDerWaalsContact CZ-OG 3.26Å; Y72-S137 PolarHBondContact OH-N 2.84Å; Y72-S137 PolarHBondContact OH-OG 3.21Å
73A83.8Confident85.9Confident75 Ų7540.8 Ų40.862%0.6225%0.246SC*.THydrogen-bonded Turntrans-70.7-45.4-178.900000110.5D71 R133D71-A73 VanDerWaalsContact C-N 3.28Å; D71-A73 PolarHBondContact O-N 3.33Å; D71-A73 WeakPolarHBondContact OD1-CA 3.49Å; D71-A73 WeakPolarHBondContact OD1-CB 3.49Å; D71-A73 PolarHBondContact OD1-N 3.48Å; A73-R133 PolarHBondContact O-NH2 3.37Å; A73-R133 VanDerWaalsContact O-NH2 3.08Å
74A87.2Confident85.9Confident61 Ų6142.9 Ų42.950%0.50426%0.255SS..THydrogen-bonded Turntrans-80.4-15.7178.700000114D71 S76D71-A74 HydrophobicContact CB-CB 4.05Å; D71-A74 PolarHBondContact O-N 3.31Å; D71-A74 PolarHBondContact OD1-N 2.93Å; A74-S76 VanDerWaalsContact C-N 3.35Å; A74-S76 WeakPolarHBondContact CB-OG 3.23Å
75S87.7Confident86.1Confident28 Ų2842.1 Ų42.120%0.19625%0.253CS..THydrogen-bonded Turntrans55.548.2-171.8-47.10000111.9D71 R133D71-S75 WeakPolarHBondContact O-CA 3.36Å; D71-S75 PolarHBondContact O-N 2.85Å; S75-R133 WeakPolarHBondContact OG-CG 3.24Å
76S90.1Very high86.3Confident50 Ų5040.6 Ų40.635%0.3524%0.243SC..EExtended strand (participates in β ladder)trans-140.7149.5-173.563.10000112.8D71 A74D71-S76 PolarHBondContact N-O 2.85Å; D71-S76 PolarHBondContact O-N 3.48Å; A74-S76 VanDerWaalsContact C-N 3.35Å; A74-S76 WeakPolarHBondContact CB-OG 3.23Å
77C88.4Confident86.5Confident37 Ų3740.6 Ų40.625%0.2524%0.243CC..EExtended strand (participates in β ladder)trans-92140.1174.4-63.20000111.9S69 C83 H84S69-C77 CarbonylContact O-C 3.59Å; S69-C77 WeakPolarHBondContact O-CA 3.28Å; C77-C83 VanDerWaalsContact CA-SG 3.51Å; C77-C83 HydrophobicContact CB-CB 3.51Å; C77-C83 WeakPolarHBondContact CB-SG 3.49Å; C77-C83 WeakPolarHBondContact SG-CB 3.49Å; C77-C83 CovalentContact SG-SG 2.03Å; C77-C83 PolarHBondContact SG-SG 3.35Å; C77-H84 VanDerWaalsContact SG-CD2 3.51Å
78V86.5Confident86.8Confident119 Ų11940 Ų4072%0.72124%0.24SC*.SBendtrans-90-42.7170.3-179.10000110.4S69S69-V78 PolarHBondContact O-N 3.41Å
79D82.6Confident87.1Confident76 Ų7640.7 Ų40.741%0.40624%0.242SC..SBendtrans-122.7116.3167.9-179.52.6000108.8I81 P82 C83D79-I81 VanDerWaalsContact C-N 3.35Å; D79-I81 PolarHBondContact O-N 2.8Å; D79-I81 PolarHBondContact OD1-N 2.8Å; D79-P82 HydrophobicContact CB-CG 4.09Å; D79-P82 VanDerWaalsContact CG-CD 3.47Å; D79-P82 WeakPolarHBondContact OD2-CD 3.45Å; D79-P82 WeakPolarHBondContact OD2-CG 3.33Å; D79-C83 WeakPolarHBondContact O-CB 3.48Å; D79-C83 PolarHBondContact O-N 2.95Å
80E83.1Confident87.2Confident118 Ų11839.8 Ų39.855%0.55124%0.235SC*.Hα-helixtrans-62.2-38.4-171-66.8-172.3167.400112.9H84E80-H84 VanDerWaalsContact O-CB 3.23Å; E80-H84 WeakPolarHBondContact O-CB 3.26Å; E80-H84 PolarHBondContact O-CD2 2.84Å; E80-H84 PolarHBondContact O-N 2.87Å; E80-H84 PolarHBondContact O-ND1 2.73Å
81I81.2Confident87.5Confident42 Ų4240.4 Ų40.422%0.21524%0.237CC..Hα-helixtrans-66.4-62.8-169.6-65.5-179.2000111.9I30 F44 D79 C83 S85I30-I81 HydrophobicContact CD1-CG2 4.4Å; I30-I81 HydrophobicContact CG2-CD1 4.44Å; I30-I81 HydrophobicContact CG2-CG2 4.16Å; F44-I81 HydrophobicContact CE1-CG2 4.25Å; F44-I81 HydrophobicContact CE2-CG2 4.03Å; F44-I81 HydrophobicContact CZ-CG2 3.33Å; D79-I81 VanDerWaalsContact C-N 3.35Å; D79-I81 PolarHBondContact O-N 2.8Å; D79-I81 PolarHBondContact OD1-N 2.8Å; I81-C83 VanDerWaalsContact C-N 3.3Å; I81-C83 PolarHBondContact O-N 2.74Å; I81-S85 PolarHBondContact O-N 3.48Å
82P84.3Confident87.6Confident37 Ų3741.4 Ų41.424%0.2424%0.241CC..Hα-helixtrans-66.3-33.3177.827.5-35.9000111.8D79 S85 F86D79-P82 HydrophobicContact CB-CG 4.09Å; D79-P82 VanDerWaalsContact CG-CD 3.47Å; D79-P82 WeakPolarHBondContact OD2-CD 3.45Å; D79-P82 WeakPolarHBondContact OD2-CG 3.33Å; P82-S85 WeakPolarHBondContact O-CB 3.23Å; P82-S85 PolarHBondContact O-N 3.49Å; P82-F86 WeakPolarHBondContact O-CB 3.49Å; P82-F86 PolarHBondContact O-N 3.47Å
83C87.1Confident87.8Confident0 Ų042.7 Ų42.70%025%0.248CC..Hα-helixtrans-64.1-48.4178.4-177.40000112.2C77 D79 I81 S85 F86 L87C77-C83 VanDerWaalsContact CA-SG 3.51Å; C77-C83 HydrophobicContact CB-CB 3.51Å; C77-C83 WeakPolarHBondContact CB-SG 3.49Å; C77-C83 WeakPolarHBondContact SG-CB 3.49Å; C77-C83 CovalentContact SG-SG 2.03Å; C77-C83 PolarHBondContact SG-SG 3.35Å; D79-C83 WeakPolarHBondContact O-CB 3.48Å; D79-C83 PolarHBondContact O-N 2.95Å; I81-C83 VanDerWaalsContact C-N 3.3Å; I81-C83 PolarHBondContact O-N 2.74Å; C83-S85 VanDerWaalsContact C-N 3.3Å; C83-S85 PolarHBondContact O-N 2.88Å; C83-F86 WeakPolarHBondContact O-CB 3.18Å; C83-F86 PolarHBondContact O-N 3.08Å; C83-F86 VanDerWaalsContact O-N 3.17Å; C83-L87 VanDerWaalsContact O-CG 3.31Å; C83-L87 WeakPolarHBondContact O-CG 3.44Å; C83-L87 PolarHBondContact O-N 3.14Å
84H88.9Confident88.2Confident49 Ų4939.2 Ų39.223%0.22722%0.22CC..Hα-helixtrans-64.9-36179.9-66.4170000112C77 E80 L87 A88 L130C77-H84 VanDerWaalsContact SG-CD2 3.51Å; E80-H84 VanDerWaalsContact O-CB 3.23Å; E80-H84 WeakPolarHBondContact O-CB 3.26Å; E80-H84 PolarHBondContact O-CD2 2.84Å; E80-H84 PolarHBondContact O-N 2.87Å; E80-H84 PolarHBondContact O-ND1 2.73Å; H84-L87 PolarHBondContact O-N 2.86Å; H84-A88 WeakPolarHBondContact O-CB 3.45Å; H84-A88 PolarHBondContact O-N 3.16Å; H84-L130 HydrophobicContact CB-CD2 4.44Å
85S89.9Confident88.3Confident4 Ų436.8 Ų36.83%0.02820%0.199CC..Hα-helixtrans-59.2-48.3172-169.10000110.9A43 F44 I81 P82 C83 A88 F89A43-S85 VanDerWaalsContact CA-OG 3.25Å; A43-S85 WeakPolarHBondContact CA-OG 3.4Å; A43-S85 WeakPolarHBondContact CB-O 3.28Å; A43-S85 WeakPolarHBondContact CB-OG 3.46Å; F44-S85 PolarHBondContact N-OG 2.98Å; F44-S85 PolarHBondContact O-OG 3.03Å; I81-S85 PolarHBondContact O-N 3.48Å; P82-S85 WeakPolarHBondContact O-CB 3.23Å; P82-S85 PolarHBondContact O-N 3.49Å; C83-S85 VanDerWaalsContact C-N 3.3Å; C83-S85 PolarHBondContact O-N 2.88Å; S85-A88 PolarHBondContact O-N 2.82Å; S85-F89 PolarHBondContact O-N 2.85Å; S85-F89 VanDerWaalsContact O-N 3.07Å
86F89.8Confident88.5Confident0 Ų040.5 Ų40.50%021%0.208CC..Hα-helixtrans-61.7-44.8175.5171-100.1000112.9L2 V67 Y70 P82 C83 A88 F89 S90 Y135L2-F86 HydrophobicContact CD1-CE2 3.79Å; L2-F86 HydrophobicContact CD1-CZ 3.74Å; L2-F86 HydrophobicContact CD2-CE2 4.19Å; L2-F86 HydrophobicContact CD2-CZ 3.93Å; L2-F86 HydrophobicContact CG-CE2 4.44Å; L2-F86 HydrophobicContact CG-CZ 4.44Å; V67-F86 HydrophobicContact CB-CD2 4.13Å; V67-F86 HydrophobicContact CB-CE1 4.22Å; V67-F86 HydrophobicContact CB-CE2 3.73Å; V67-F86 HydrophobicContact CB-CZ 3.78Å; V67-F86 HydrophobicContact CG2-CE1 4.1Å; V67-F86 HydrophobicContact CG2-CE2 4.11Å; V67-F86 HydrophobicContact CG2-CZ 3.67Å; Y70-F86 HydrophobicContact CD1-CD1 4.43Å; Y70-F86 AromaticContact CD1-CE1 3.91Å; Y70-F86 HydrophobicContact CD1-CE1 3.91Å; Y70-F86 HydrophobicContact CG-CE1 4.41Å; P82-F86 WeakPolarHBondContact O-CB 3.49Å; P82-F86 PolarHBondContact O-N 3.47Å; C83-F86 WeakPolarHBondContact O-CB 3.18Å; C83-F86 PolarHBondContact O-N 3.08Å; C83-F86 VanDerWaalsContact O-N 3.17Å; F86-A88 VanDerWaalsContact C-N 3.32Å; F86-A88 PolarHBondContact O-N 2.87Å; F86-F89 PolarHBondContact O-N 2.82Å; F86-S90 VanDerWaalsContact O-CB 3.31Å; F86-S90 WeakPolarHBondContact O-CB 3.47Å; F86-S90 PolarHBondContact O-N 2.82Å; F86-S90 PolarHBondContact O-OG 2.63Å; F86-Y135 HydrophobicContact CZ-CE1 4.28Å
87L91.1Very high88.6Confident2 Ų239.2 Ų39.21%0.0120%0.198CC..Hα-helixtrans-62.7-39.3178-69.9-178.9000112Y70 C83 H84 W91 A128 L130 P134Y70-L87 HydrophobicContact CD1-CD2 4.22Å; Y70-L87 HydrophobicContact CD2-CD1 4.41Å; Y70-L87 HydrophobicContact CD2-CD2 3.86Å; Y70-L87 HydrophobicContact CD2-CG 4.43Å; Y70-L87 HydrophobicContact CE1-CD2 4.04Å; Y70-L87 HydrophobicContact CE2-CD1 4.34Å; Y70-L87 HydrophobicContact CE2-CD2 3.69Å; Y70-L87 HydrophobicContact CG-CD2 4.12Å; C83-L87 VanDerWaalsContact O-CG 3.31Å; C83-L87 WeakPolarHBondContact O-CG 3.44Å; C83-L87 PolarHBondContact O-N 3.14Å; H84-L87 PolarHBondContact O-N 2.86Å; L87-W91 PolarHBondContact O-N 2.87Å; L87-A128 HydrophobicContact CB-CB 4.27Å; L87-A128 WeakPolarHBondContact O-CB 3.36Å; L87-L130 HydrophobicContact CB-CD2 4.31Å; L87-L130 HydrophobicContact CD1-CD2 3.86Å; L87-P134 HydrophobicContact CD2-CB 4Å; L87-P134 HydrophobicContact CD2-CG 3.56Å
88A91.7Very high88.9Confident4 Ų437.4 Ų37.43%0.03319%0.187CC..Hα-helixtrans-63.9-42.8175.100000112.1L42 H84 S85 F86 N94 Y124L42-A88 VanDerWaalsContact O-CB 3.31Å; L42-A88 WeakPolarHBondContact O-CB 3.32Å; H84-A88 WeakPolarHBondContact O-CB 3.45Å; H84-A88 PolarHBondContact O-N 3.16Å; S85-A88 PolarHBondContact O-N 2.82Å; F86-A88 VanDerWaalsContact C-N 3.32Å; F86-A88 PolarHBondContact O-N 2.87Å; A88-N94 PolarHBondContact O-ND2 3.01Å; A88-Y124 HydrophobicContact CB-CD2 4.46Å; A88-Y124 WeakPolarHBondContact O-CD2 3.21Å
89F91.3Very high89.3Confident48 Ų4832.8 Ų32.821%0.21116%0.159CC..Hα-helixtrans-66.9-46.6177163-103.6000112.7A43 V60 I63 Y64 S85 F86 W91 N94 Y124A43-F89 HydrophobicContact CB-CB 4.31Å; V60-F89 HydrophobicContact CG1-CE2 4.08Å; V60-F89 HydrophobicContact CG1-CZ 3.7Å; V60-F89 HydrophobicContact CG2-CE2 4.25Å; I63-F89 HydrophobicContact CG2-CB 3.48Å; I63-F89 VanDerWaalsContact CG2-CB 3.48Å; I63-F89 HydrophobicContact CG2-CD1 3.96Å; I63-F89 HydrophobicContact CG2-CG 3.78Å; Y64-F89 HydrophobicContact CD2-CE1 4.47Å; S85-F89 PolarHBondContact O-N 2.85Å; S85-F89 VanDerWaalsContact O-N 3.07Å; F86-F89 PolarHBondContact O-N 2.82Å; F89-W91 VanDerWaalsContact C-N 3.28Å; F89-W91 PolarHBondContact O-N 3.03Å; F89-N94 PolarHBondContact O-ND2 2.91Å; F89-Y124 HydrophobicContact CB-CE2 4.31Å; F89-Y124 WeakPolarHBondContact CD2-OH 3.39Å
90S90.3Very high89.9Confident2 Ų229.9 Ų29.91%0.01415%0.146CC..SBendtrans-81.81.4-173.658.80000114.8F86 F92 P134F86-S90 VanDerWaalsContact O-CB 3.31Å; F86-S90 WeakPolarHBondContact O-CB 3.47Å; F86-S90 PolarHBondContact O-N 2.82Å; F86-S90 PolarHBondContact O-OG 2.63Å; S90-F92 PolarHBondContact O-N 3.3Å; S90-P134 VanDerWaalsContact OG-CB 3.32Å; S90-P134 WeakPolarHBondContact OG-CB 3.37Å; S90-P134 WeakPolarHBondContact OG-CG 3.4Å
91W92.3Very high90.4Very high24 Ų2426.6 Ų26.69%0.09113%0.132CC..  trans-64.4117.5-177.6-167.5-100.8000111.7L87 F89 E93 N94 A128 D129 A132 P134L87-W91 PolarHBondContact O-N 2.87Å; F89-W91 VanDerWaalsContact C-N 3.28Å; F89-W91 PolarHBondContact O-N 3.03Å; W91-E93 PolarHBondContact O-N 3.26Å; W91-N94 VanDerWaalsContact O-CB 3.22Å; W91-N94 WeakPolarHBondContact O-CB 3.36Å; W91-N94 PolarHBondContact O-N 3.43Å; W91-N94 PolarHBondContact O-ND2 2.84Å; W91-A128 HydrophobicContact CB-CB 4.35Å; W91-A128 HydrophobicContact CD2-CB 4Å; W91-A128 VanDerWaalsContact CE3-CA 3.48Å; W91-A128 HydrophobicContact CE3-CB 3.59Å; W91-A128 HydrophobicContact CG-CB 4.33Å; W91-A128 HydrophobicContact CZ3-CB 4.27Å; W91-D129 HydrophobicContact CH2-CB 3.53Å; W91-D129 VanDerWaalsContact CH2-N 3.33Å; W91-D129 HydrophobicContact CZ2-CB 4.24Å; W91-D129 HydrophobicContact CZ3-CB 4.06Å; W91-D129 VanDerWaalsContact CZ3-N 3.27Å; W91-A132 HydrophobicContact CH2-CB 4.21Å; W91-P134 HydrophobicContact CE3-CB 4.03Å
92F88.5Confident91.1Very high48 Ų4825.9 Ų25.921%0.21113%0.131CC..THydrogen-bonded Turntrans-60.2-24.3-167.576.1-86.5000115N6 E7 Q8 S90 N94 P134N6-F92 HydrophobicContact CB-CD2 4.3Å; N6-F92 WeakPolarHBondContact ND2-CD2 3.39Å; N6-F92 WeakPolarHBondContact ND2-CE2 3.49Å; N6-F92 WeakPolarHBondContact ND2-CG 3.29Å; E7-F92 HydrophobicContact CG-CB 4.48Å; Q8-F92 VanDerWaalsContact CB-O 3.28Å; Q8-F92 WeakPolarHBondContact CB-O 3.28Å; Q8-F92 VanDerWaalsContact CG-O 3.25Å; Q8-F92 WeakPolarHBondContact CG-O 3.31Å; Q8-F92 PolarHBondContact N-O 2.98Å; Q8-F92 VanDerWaalsContact N-O 3.17Å; Q8-F92 PolarHBondContact NE2-O 3.29Å; S90-F92 PolarHBondContact O-N 3.3Å; F92-N94 VanDerWaalsContact C-N 3.31Å; F92-P134 WeakPolarHBondContact CB-O 3.41Å; F92-P134 VanDerWaalsContact CD1-O 3.3Å; F92-P134 WeakPolarHBondContact CD1-O 3.36Å; F92-P134 PolarHBondContact N-O 2.03Å
93E89.1Confident91.6Very high72 Ų7228 Ų2834%0.33614%0.143SC..THydrogen-bonded Turntrans-81.8-10.5178.8-60.4-174166.700113.5W91 S95 H126W91-E93 PolarHBondContact O-N 3.26Å; E93-S95 PolarHBondContact O-N 3.29Å; E93-H126 HydrophobicContact CB-CB 4.28Å; E93-H126 PolarHBondContact O-CD2 2.95Å; E93-H126 PolarHBondContact O-NE2 3.16Å; E93-H126 IonicContact OE2-CE1 2.88Å; E93-H126 PolarHBondContact OE2-CE1 3.31Å; E93-H126 IonicContact OE2-CG 2.75Å; E93-H126 IonicContact OE2-ND1 3.93Å; E93-H126 PolarHBondContact OE2-ND1 3.15Å
94N91.5Very high92Very high3 Ų328 Ų282%0.01614%0.143CC..  trans-58.8126179.7-71.5-20.4000110.2I10 A88 F89 W91 F92 Y124I10-N94 HydrophobicContact CD1-CB 3.78Å; A88-N94 PolarHBondContact O-ND2 3.01Å; F89-N94 PolarHBondContact O-ND2 2.91Å; W91-N94 VanDerWaalsContact O-CB 3.22Å; W91-N94 WeakPolarHBondContact O-CB 3.36Å; W91-N94 PolarHBondContact O-N 3.43Å; W91-N94 PolarHBondContact O-ND2 2.84Å; F92-N94 VanDerWaalsContact C-N 3.31Å; N94-Y124 HydrophobicContact CB-CD1 4.29Å; N94-Y124 WeakPolarHBondContact OD1-CB 3.27Å
95S89.3Confident92.2Very high10 Ų1033.7 Ų33.77%0.0717%0.167CC..  trans-133.9-6.3175.757.40000112.7T11 N12 E93 N125T11-S95 PolarHBondContact N-O 2.77Å; T11-S95 PolarHBondContact OG1-O 2.76Å; N12-S95 PolarHBondContact N-O 3.19Å; E93-S95 PolarHBondContact O-N 3.29Å; S95-N125 PolarHBondContact N-OD1 3.4Å; S95-N125 PolarHBondContact OG-ND2 3.07Å
96R90.6Very high92.3Very high105 Ų10536.9 Ų36.940%0.39619%0.186SC..EExtended strand (participates in β ladder)trans-139.7146.7177.3-38.5-177.5-168.2166.24.4111N12 D14 L17 N125N12-R96 HydrophobicContact CB-CG 4.16Å; N12-R96 WeakPolarHBondContact O-CA 3.36Å; D14-R96 HydrophobicContact CB-CB 4.17Å; D14-R96 IonicContact OD2-NH1 3.41Å; L17-R96 HydrophobicContact CD1-CB 4.18Å; R96-N125 HydrophobicContact CB-CB 4.1Å; R96-N125 HydrophobicContact CG-CB 4.34Å; R96-N125 PolarHBondContact N-OD1 2.88Å; R96-N125 PolarHBondContact O-N 3.31Å; R96-N125 PolarHBondContact O-OD1 2.04Å
97V94Very high92.4Very high23 Ų2336.9 Ų36.914%0.13919%0.186CC..EExtended strand (participates in β ladder)trans-138.1149.9-179.9710000110.3I10 N12 Y13 D14 C122 A123 Y124I10-V97 HydrophobicContact CG2-CB 4.13Å; I10-V97 HydrophobicContact CG2-CG1 3.67Å; N12-V97 PolarHBondContact O-N 3.44Å; Y13-V97 CarbonylContact C-O 3.59Å; Y13-V97 VanDerWaalsContact CA-O 3.28Å; Y13-V97 WeakPolarHBondContact CA-O 3.38Å; Y13-V97 HydrophobicContact CD2-CG1 4.43Å; Y13-V97 WeakPolarHBondContact CD2-O 3.31Å; D14-V97 PolarHBondContact N-O 2.92Å; V97-C122 HydrophobicContact CG2-CB 3.87Å; V97-A123 CarbonylContact C-O 3.58Å; V97-A123 WeakPolarHBondContact CA-O 3.49Å; V97-Y124 HydrophobicContact CB-CD1 4.13Å; V97-Y124 HydrophobicContact CB-CE1 4.09Å; V97-Y124 HydrophobicContact CG2-CD1 3.85Å; V97-Y124 HydrophobicContact CG2-CE1 3.51Å
98G94.3Very high92.4Very high0 Ų040.8 Ų40.80%021%0.21CC..EExtended strand (participates in β ladder)trans-140.1136.5165.200000109.4C122 A123G98-C122 CarbonylContact O-C 3.59Å; G98-C122 VanDerWaalsContact O-CA 3.31Å; G98-C122 WeakPolarHBondContact O-CA 3.02Å; G98-A123 PolarHBondContact N-O 3.13Å; G98-A123 PolarHBondContact O-N 2.94Å
99C95.2Very high92.1Very high21 Ų2142.4 Ų42.414%0.14223%0.227CC..EExtended strand (participates in β ladder)trans-132.9147.7-168.6-58.80000111.9Y13 M56 V121 C122Y13-C99 PolarHBondContact OH-N 3.43Å; Y13-C99 PolarHBondContact OH-O 3.07Å; M56-C99 HydrophobicContact CE-CB 4.3Å; C99-V121 CarbonylContact C-O 3.52Å; C99-V121 VanDerWaalsContact CA-O 3.24Å; C99-V121 WeakPolarHBondContact CA-O 3.42Å; C99-C122 HydrophobicContact CB-CB 4.11Å; C99-C122 WeakPolarHBondContact CB-SG 3.29Å; C99-C122 WeakPolarHBondContact SG-CB 3.28Å; C99-C122 CovalentContact SG-SG 2.02Å; C99-C122 PolarHBondContact SG-SG 2.79Å
100A94.1Very high91.8Very high16 Ų1640.5 Ų40.513%0.13222%0.221CC..EExtended strand (participates in β ladder)trans-136.5153.9176.800000110.8A21 E22 A25 G120 V121A21-A100 HydrophobicContact CB-CB 3.9Å; E22-A100 VanDerWaalsContact CA-CB 3.48Å; E22-A100 HydrophobicContact CB-CB 4.09Å; E22-A100 HydrophobicContact CG-CB 3.5Å; E22-A100 VanDerWaalsContact N-CB 3.34Å; A25-A100 HydrophobicContact CB-CB 4.21Å; A100-G120 CarbonylContact O-C 3.54Å; A100-G120 VanDerWaalsContact O-CA 3.22Å; A100-G120 WeakPolarHBondContact O-CA 3.46Å; A100-V121 PolarHBondContact N-O 3.1Å; A100-V121 PolarHBondContact O-N 3.5Å
101L94.4Very high91.3Very high49 Ų4950.2 Ų50.226%0.25727%0.266SS..EExtended strand (participates in β ladder)trans-130.3127.6176-169.872000108.7F45 R53 P54 Y118F45-L101 HydrophobicContact CE1-CD1 3.96Å; F45-L101 HydrophobicContact CZ-CD1 3.69Å; R53-L101 HydrophobicContact CG-CD2 3.71Å; P54-L101 HydrophobicContact CG-CD1 3.86Å; P54-L101 HydrophobicContact CG-CD2 3.99Å; L101-Y118 HydrophobicContact CD2-CD1 3.96Å; L101-Y118 HydrophobicContact CG-CD1 4.28Å
102S94.9Very high90.8Very high27 Ų2752 Ų5219%0.18928%0.277CS..EExtended strand (participates in β ladder)trans-118.4145.2173.4-69.30000110.3A25 A26 Y118 F119A25-S102 VanDerWaalsContact C-OG 3.29Å; A25-S102 WeakPolarHBondContact CB-OG 3.33Å; A25-S102 WeakPolarHBondContact O-CB 3.3Å; A25-S102 PolarHBondContact O-OG 3.31Å; A26-S102 PolarHBondContact N-OG 3.08Å; S102-Y118 WeakPolarHBondContact O-CA 3.43Å; S102-F119 PolarHBondContact N-O 3.06Å; S102-F119 PolarHBondContact O-N 3.35Å
103T95.4Very high90.7Very high80 Ų8053.9 Ų53.949%0.49129%0.287SS..EExtended strand (participates in β ladder)trans-92.8120168.1-56.50000107.9L49 E116L49-T103 HydrophobicContact CD1-CG2 4.06Å; T103-E116 HydrophobicContact CG2-CG 4.43Å
104C95.1Very high90.6Very high1 Ų157.4 Ų57.41%0.00731%0.308CS..EExtended strand (participates in β ladder)trans-118.3128.3-173.6-66.60000109.6C28 T106 V107 E116 Q117C28-C104 VanDerWaalsContact CA-SG 3.57Å; C28-C104 HydrophobicContact CB-CB 3.68Å; C28-C104 WeakPolarHBondContact CB-SG 3.32Å; C28-C104 WeakPolarHBondContact SG-CB 3.37Å; C28-C104 CovalentContact SG-SG 2.03Å; C28-C104 PolarHBondContact SG-SG 3.2Å; C104-T106 PolarHBondContact O-N 3.39Å; C104-V107 HydrophobicContact CB-CG2 3.49Å; C104-V107 VanDerWaalsContact CB-CG2 3.49Å; C104-E116 CarbonylContact O-C 3.56Å; C104-E116 WeakPolarHBondContact O-CA 3.46Å; C104-E116 WeakPolarHBondContact O-CG 3.46Å; C104-Q117 PolarHBondContact N-O 3.42Å; C104-Q117 PolarHBondContact O-N 2.88Å
105K94.1Very high90.5Very high168 Ų16859.2 Ų59.273%0.7332%0.321SS*.SBendtrans-62.2-32.7173.3-70.1-173.9176.7-177.30112.7S115 E116K105-S115 CarbonylContact O-C 3.54Å; K105-E116 WeakPolarHBondContact O-CA 3.48Å; K105-E116 PolarHBondContact O-N 3.06Å
106T92.1Very high90.7Very high71 Ų7163.1 Ų63.144%0.43634%0.338SS..  trans-151.9142.8178.954.30000106.6C104 E113C104-T106 PolarHBondContact O-N 3.39Å; T106-E113 VanDerWaalsContact CA-O 3.28Å; T106-E113 WeakPolarHBondContact CA-O 3.48Å; T106-E113 WeakPolarHBondContact CB-O 3.47Å; T106-E113 WeakPolarHBondContact CG2-O 3.49Å
107V91.7Very high90.8Very high0 Ų058.3 Ų58.30%032%0.32CS..  trans-116.6115.5170.6-179.30000109.4C28 I30 F46 C104 G109 A110 Q117 F119C28-V107 WeakPolarHBondContact O-CA 3.25Å; I30-V107 HydrophobicContact CG1-CG1 4.34Å; F46-V107 HydrophobicContact CD1-CG1 4.43Å; F46-V107 HydrophobicContact CD1-CG2 4.45Å; F46-V107 HydrophobicContact CE1-CB 4.2Å; F46-V107 HydrophobicContact CE1-CG1 3.62Å; F46-V107 HydrophobicContact CE1-CG2 4.39Å; F46-V107 HydrophobicContact CZ-CG1 4.39Å; C104-V107 HydrophobicContact CB-CG2 3.49Å; C104-V107 VanDerWaalsContact CB-CG2 3.49Å; V107-G109 PolarHBondContact O-N 3.01Å; V107-A110 HydrophobicContact CB-CB 3.94Å; V107-A110 HydrophobicContact CG1-CB 4.18Å; V107-A110 WeakPolarHBondContact O-CB 3.49Å; V107-A110 PolarHBondContact O-N 3.43Å; V107-A110 VanDerWaalsContact O-N 3.17Å; V107-Q117 HydrophobicContact CB-CG 4.35Å; V107-Q117 HydrophobicContact CG2-CG 3.48Å; V107-Q117 VanDerWaalsContact CG2-CG 3.48Å; V107-F119 HydrophobicContact CG1-CG 4.45Å; V107-F119 HydrophobicContact CG2-CB 3.95Å; V107-F119 HydrophobicContact CG2-CG 4.32Å
108T90.4Very high90.8Very high84 Ų8459 Ų5952%0.51532%0.32SS..BIsolated β-bridgetrans-65.3125.8179.9-51.80000110.2C28 I30C28-T108 PolarHBondContact O-N 3.26Å; I30-T108 PolarHBondContact N-O 3.24Å
109G85Confident90.7Very high38 Ų3859 Ų5939%0.39232%0.32SS..THydrogen-bonded Turntrans90.3-5.8-177.300000115.1I30 V107 E113I30-G109 VanDerWaalsContact CD1-C 3.43Å; I30-G109 WeakPolarHBondContact CD1-O 3.45Å; V107-G109 PolarHBondContact O-N 3.01Å; G109-E113 VanDerWaalsContact CA-OE1 3.23Å; G109-E113 WeakPolarHBondContact CA-OE1 3.38Å; G109-E113 PolarHBondContact N-OE1 2.83Å
110A85.1Confident90.7Very high9 Ų958 Ų587%0.07431%0.313CS..SBendtrans-72.9158.9175.800000111.6F46 V107 D112 E113F46-A110 HydrophobicContact CD1-CB 4.45Å; F46-A110 HydrophobicContact CE1-CB 4.18Å; F46-A110 HydrophobicContact CZ-CB 4.27Å; V107-A110 HydrophobicContact CB-CB 3.94Å; V107-A110 HydrophobicContact CG1-CB 4.18Å; V107-A110 WeakPolarHBondContact O-CB 3.49Å; V107-A110 PolarHBondContact O-N 3.43Å; V107-A110 VanDerWaalsContact O-N 3.17Å; A110-D112 VanDerWaalsContact C-N 3.3Å; A110-D112 PolarHBondContact O-N 2.98Å; A110-E113 WeakPolarHBondContact O-CG 3.44Å
111E79.6Confident90.7Very high206 Ų20657.3 Ų57.396%0.96331%0.307SS*.THydrogen-bonded Turntrans-61.9-39.3178.2-65.1-171.5164.800112.3
112D82.6Confident90.6Very high62 Ų6255.1 Ų55.133%0.33230%0.296SS..THydrogen-bonded Turntrans-111.678.3171.6-168.4-3.9000110.6L48 A110 N114 S115 Q117L48-D112 HydrophobicContact CD2-CB 4.38Å; A110-D112 VanDerWaalsContact C-N 3.3Å; A110-D112 PolarHBondContact O-N 2.98Å; D112-N114 PolarHBondContact O-N 2.97Å; D112-N114 PolarHBondContact OD1-N 3.17Å; D112-S115 PolarHBondContact OD1-N 3.45Å; D112-S115 PolarHBondContact OD1-OG 3.36Å; D112-S115 WeakPolarHBondContact OD2-CB 3.29Å; D112-S115 PolarHBondContact OD2-OG 2.85Å; D112-Q117 PolarHBondContact O-NE2 3.35Å
113E86Confident90.6Very high86 Ų8653.8 Ų53.840%0.40229%0.287SS..THydrogen-bonded Turntrans-64.2-21.9-179.8-59.4-16615900113.4T106 G109 A110T106-E113 VanDerWaalsContact CA-O 3.28Å; T106-E113 WeakPolarHBondContact CA-O 3.48Å; T106-E113 WeakPolarHBondContact CB-O 3.47Å; T106-E113 WeakPolarHBondContact CG2-O 3.49Å; G109-E113 VanDerWaalsContact CA-OE1 3.23Å; G109-E113 WeakPolarHBondContact CA-OE1 3.38Å; G109-E113 PolarHBondContact N-OE1 2.83Å; A110-E113 WeakPolarHBondContact O-CG 3.44Å
114N87.8Confident90.5Very high147 Ų14750.4 Ų50.479%0.78627%0.265SS*.THydrogen-bonded Turntrans-95-4.6-171-64.8-63.6000113.8D112D112-N114 PolarHBondContact O-N 2.97Å; D112-N114 PolarHBondContact OD1-N 3.17Å
115S89.3Confident90.3Very high40 Ų4052.6 Ų52.628%0.2828%0.277SS..SBendtrans-99.8142.7178.3-68.40000111.7K105 D112 Q117K105-S115 CarbonylContact O-C 3.54Å; D112-S115 PolarHBondContact OD1-N 3.45Å; D112-S115 PolarHBondContact OD1-OG 3.36Å; D112-S115 WeakPolarHBondContact OD2-CB 3.29Å; D112-S115 PolarHBondContact OD2-OG 2.85Å; S115-Q117 PolarHBondContact O-N 3.23Å; S115-Q117 PolarHBondContact O-NE2 2.96Å
116E92.3Very high90.1Very high92 Ų9247.4 Ų47.443%0.4326%0.255SS..  trans-66.7132170.7-171.2173.7-157.400108.9L49 T103 C104 K105L49-E116 HydrophobicContact CB-CB 4.3Å; L49-E116 HydrophobicContact CB-CG 4.26Å; L49-E116 HydrophobicContact CD1-CG 4.07Å; L49-E116 PolarHBondContact N-O 2.75Å; T103-E116 HydrophobicContact CG2-CG 4.43Å; C104-E116 CarbonylContact O-C 3.56Å; C104-E116 WeakPolarHBondContact O-CA 3.46Å; C104-E116 WeakPolarHBondContact O-CG 3.46Å; K105-E116 WeakPolarHBondContact O-CA 3.48Å; K105-E116 PolarHBondContact O-N 3.06Å
117Q93.1Very high89.9Confident4 Ų449 Ų492%0.01926%0.256CS..EExtended strand (participates in β ladder)trans-149.3150.4-172.462.1-164.1-58.900111.5K47 L48 L49 C104 V107 D112 S115K47-Q117 CarbonylContact O-C 3.57Å; K47-Q117 WeakPolarHBondContact O-CA 3.48Å; L48-Q117 HydrophobicContact CD2-CB 4.18Å; L49-Q117 VanDerWaalsContact CD1-C 3.48Å; C104-Q117 PolarHBondContact N-O 3.42Å; C104-Q117 PolarHBondContact O-N 2.88Å; V107-Q117 HydrophobicContact CB-CG 4.35Å; V107-Q117 HydrophobicContact CG2-CG 3.48Å; V107-Q117 VanDerWaalsContact CG2-CG 3.48Å; D112-Q117 PolarHBondContact O-NE2 3.35Å; S115-Q117 PolarHBondContact O-N 3.23Å; S115-Q117 PolarHBondContact O-NE2 2.96Å
118Y93.5Very high89.6Confident38 Ų3849.2 Ų49.215%0.14926%0.258CS..EExtended strand (participates in β ladder)trans-72.7127.9161.1-64.7-73000108.6F46 K47 L49 D51 R53 P54 L101 S102F46-Y118 VanDerWaalsContact CA-O 3.3Å; F46-Y118 WeakPolarHBondContact CA-O 3.12Å; K47-Y118 HydrophobicContact CB-CD2 4.35Å; K47-Y118 PolarHBondContact N-O 3.31Å; K47-Y118 PolarHBondContact O-N 3.13Å; L49-Y118 HydrophobicContact CD1-CD1 4.34Å; L49-Y118 HydrophobicContact CD1-CD2 3.69Å; L49-Y118 HydrophobicContact CD1-CE1 4.33Å; L49-Y118 HydrophobicContact CD1-CE2 3.68Å; L49-Y118 HydrophobicContact CD1-CG 4.03Å; L49-Y118 HydrophobicContact CD2-CE2 4.33Å; L49-Y118 HydrophobicContact CG-CD2 4.24Å; L49-Y118 HydrophobicContact CG-CE2 3.79Å; D51-Y118 WeakPolarHBondContact O-CE2 3.17Å; R53-Y118 HydrophobicContact CG-CE1 4.48Å; P54-Y118 HydrophobicContact CG-CG 4.33Å; L101-Y118 HydrophobicContact CD2-CD1 3.96Å; L101-Y118 HydrophobicContact CG-CD1 4.28Å; S102-Y118 WeakPolarHBondContact O-CA 3.43Å
119F93.8Very high89.3Confident0 Ų048.7 Ų48.70%025%0.252CS..EExtended strand (participates in β ladder)trans-114.4112.1171179.1-137.5000108.4A25 V33 F44 F46 S102 V107 V121A25-F119 HydrophobicContact CB-CD1 4.43Å; A25-F119 WeakPolarHBondContact O-CD1 3.33Å; V33-F119 HydrophobicContact CG2-CZ 3.97Å; F44-F119 HydrophobicContact CB-CE2 3.72Å; F44-F119 HydrophobicContact CB-CZ 4.32Å; F44-F119 HydrophobicContact CD2-CE2 4.09Å; F44-F119 HydrophobicContact CG-CE2 4.1Å; F46-F119 AromaticContact CD1-CD2 3.69Å; F46-F119 HydrophobicContact CD1-CD2 3.69Å; F46-F119 HydrophobicContact CD1-CE2 4.35Å; F46-F119 HydrophobicContact CD1-CG 4.48Å; F46-F119 AromaticContact CE1-CD2 3.19Å; F46-F119 HydrophobicContact CE1-CD2 3.19Å; F46-F119 AromaticContact CE1-CE2 3.46Å; F46-F119 HydrophobicContact CE1-CE2 3.46Å; F46-F119 VanDerWaalsContact CE1-CE2 3.46Å; F46-F119 HydrophobicContact CE1-CG 4.13Å; F46-F119 HydrophobicContact CZ-CD2 4.02Å; F46-F119 AromaticContact CZ-CE2 3.84Å; F46-F119 HydrophobicContact CZ-CE2 3.84Å; S102-F119 PolarHBondContact N-O 3.06Å; S102-F119 PolarHBondContact O-N 3.35Å; V107-F119 HydrophobicContact CG1-CG 4.45Å; V107-F119 HydrophobicContact CG2-CB 3.95Å; V107-F119 HydrophobicContact CG2-CG 4.32Å; F119-V121 HydrophobicContact CD1-CG2 4.39Å; F119-V121 HydrophobicContact CE1-CG2 3.83Å; F119-V121 HydrophobicContact CE2-CG2 4.05Å; F119-V121 HydrophobicContact CZ-CG2 3.64Å
120G93.7Very high89.3Confident0 Ų049.5 Ų49.50%025%0.247CC..EExtended strand (participates in β ladder)trans-112.6147.7176.200000112.1F44 F45 A100F44-G120 CarbonylContact C-O 3.14Å; F44-G120 WeakPolarHBondContact CA-O 3.32Å; F44-G120 VanDerWaalsContact CB-O 3.31Å; F44-G120 WeakPolarHBondContact CB-O 3.3Å; F45-G120 VanDerWaalsContact CD1-CA 3.47Å; F45-G120 WeakPolarHBondContact CD1-O 3.37Å; F45-G120 PolarHBondContact N-O 3.2Å; F45-G120 PolarHBondContact O-N 3.42Å; F45-G120 VanDerWaalsContact O-N 3.12Å; A100-G120 CarbonylContact O-C 3.54Å; A100-G120 VanDerWaalsContact O-CA 3.22Å; A100-G120 WeakPolarHBondContact O-CA 3.46Å
121V94.1Very high89.2Confident1 Ų154.5 Ų54.51%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-135.1137.7-176.9-178.60000107.8A21 V24 A25 L42 A43 F44 C99 A100 F119A21-V121 HydrophobicContact CB-CB 4.26Å; A21-V121 HydrophobicContact CB-CG1 4.15Å; A21-V121 WeakPolarHBondContact CB-O 3.41Å; V24-V121 HydrophobicContact CB-CG1 4.21Å; V24-V121 HydrophobicContact CB-CG2 4.41Å; V24-V121 HydrophobicContact CG1-CG1 4.17Å; V24-V121 HydrophobicContact CG1-CG2 4.02Å; A25-V121 HydrophobicContact CB-CB 4.32Å; A25-V121 HydrophobicContact CB-CG2 3.91Å; L42-V121 HydrophobicContact CD2-CG1 4.29Å; A43-V121 CarbonylContact O-C 3.55Å; A43-V121 WeakPolarHBondContact O-CA 2.96Å; F44-V121 HydrophobicContact CB-CG2 4.19Å; C99-V121 CarbonylContact C-O 3.52Å; C99-V121 VanDerWaalsContact CA-O 3.24Å; C99-V121 WeakPolarHBondContact CA-O 3.42Å; A100-V121 PolarHBondContact N-O 3.1Å; A100-V121 PolarHBondContact O-N 3.5Å; F119-V121 HydrophobicContact CD1-CG2 4.39Å; F119-V121 HydrophobicContact CE1-CG2 3.83Å; F119-V121 HydrophobicContact CE2-CG2 4.05Å; F119-V121 HydrophobicContact CZ-CG2 3.64Å
122C94Very high89.5Confident3 Ų346.1 Ų46.12%0.0224%0.243CC..EExtended strand (participates in β ladder)trans-121.8138.1164.6-64.80000110.5L42 A43 F59 V97 G98 C99 Y124L42-C122 WeakPolarHBondContact CA-O 3.45Å; A43-C122 PolarHBondContact N-O 2.86Å; A43-C122 PolarHBondContact O-N 3.22Å; F59-C122 HydrophobicContact CE1-CB 3.82Å; F59-C122 WeakPolarHBondContact CE1-SG 3.47Å; F59-C122 HydrophobicContact CZ-CB 3.54Å; F59-C122 WeakPolarHBondContact CZ-SG 3.36Å; V97-C122 HydrophobicContact CG2-CB 3.87Å; G98-C122 CarbonylContact O-C 3.59Å; G98-C122 VanDerWaalsContact O-CA 3.31Å; G98-C122 WeakPolarHBondContact O-CA 3.02Å; C99-C122 HydrophobicContact CB-CB 4.11Å; C99-C122 WeakPolarHBondContact CB-SG 3.29Å; C99-C122 WeakPolarHBondContact SG-CB 3.28Å; C99-C122 CovalentContact SG-SG 2.02Å; C99-C122 PolarHBondContact SG-SG 2.79Å; C122-Y124 HydrophobicContact CB-CE2 4.28Å
123A94.2Very high89.8Confident0 Ų048.7 Ų48.70%025%0.248CC..EExtended strand (participates in β ladder)trans-105.8138.7171.900000110.5L17 V20 G41 L42 V97 G98L17-A123 HydrophobicContact CB-CB 4Å; L17-A123 HydrophobicContact CD2-CB 4.11Å; L17-A123 WeakPolarHBondContact O-CB 3.33Å; V20-A123 HydrophobicContact CB-CB 4.39Å; V20-A123 HydrophobicContact CG1-CB 4.24Å; G41-A123 CarbonylContact O-C 3.43Å; G41-A123 VanDerWaalsContact O-CA 3.31Å; G41-A123 WeakPolarHBondContact O-CA 3.28Å; L42-A123 HydrophobicContact CD2-CB 3.53Å; V97-A123 CarbonylContact C-O 3.58Å; V97-A123 WeakPolarHBondContact CA-O 3.49Å; G98-A123 PolarHBondContact N-O 3.13Å; G98-A123 PolarHBondContact O-N 2.94Å
124Y93.3Very high89.9Confident9 Ų944.6 Ų44.64%0.03523%0.229CC..EExtended strand (participates in β ladder)trans-112.6153.2178.5-57.3-84.6000110.8I10 G41 A43 A88 F89 N94 V97 C122 H126I10-Y124 HydrophobicContact CD1-CD1 4.42Å; G41-Y124 WeakPolarHBondContact O-CD2 3.45Å; G41-Y124 PolarHBondContact O-N 3.19Å; A43-Y124 HydrophobicContact CB-CE2 3.79Å; A88-Y124 HydrophobicContact CB-CD2 4.46Å; A88-Y124 WeakPolarHBondContact O-CD2 3.21Å; F89-Y124 HydrophobicContact CB-CE2 4.31Å; F89-Y124 WeakPolarHBondContact CD2-OH 3.39Å; N94-Y124 HydrophobicContact CB-CD1 4.29Å; N94-Y124 WeakPolarHBondContact OD1-CB 3.27Å; V97-Y124 HydrophobicContact CB-CD1 4.13Å; V97-Y124 HydrophobicContact CB-CE1 4.09Å; V97-Y124 HydrophobicContact CG2-CD1 3.85Å; V97-Y124 HydrophobicContact CG2-CE1 3.51Å; C122-Y124 HydrophobicContact CB-CE2 4.28Å; Y124-H126 VanDerWaalsContact C-N 3.25Å; Y124-H126 PolarHBondContact O-N 3.33Å
125N90.9Very high90Very high46 Ų4639 Ų3925%0.24620%0.197CC..SBendtrans-73.4-14.3-174.766.6-59000114.4L17 S95 R96L17-N125 HydrophobicContact CD1-CB 4.03Å; S95-N125 PolarHBondContact N-OD1 3.4Å; S95-N125 PolarHBondContact OG-ND2 3.07Å; R96-N125 HydrophobicContact CB-CB 4.1Å; R96-N125 HydrophobicContact CG-CB 4.34Å; R96-N125 PolarHBondContact N-OD1 2.88Å; R96-N125 PolarHBondContact O-N 3.31Å; R96-N125 PolarHBondContact O-OD1 2.04Å
126H89.3Confident89.7Confident60 Ų6039.6 Ų39.628%0.27820%0.199SC..SBendtrans-114.5143.6171.5-65.8-101.1000109.7G41 E93 Y124G41-H126 WeakPolarHBondContact CA-O 3.18Å; G41-H126 PolarHBondContact N-O 2.96Å; G41-H126 VanDerWaalsContact N-O 3.08Å; E93-H126 HydrophobicContact CB-CB 4.28Å; E93-H126 PolarHBondContact O-CD2 2.95Å; E93-H126 PolarHBondContact O-NE2 3.16Å; E93-H126 IonicContact OE2-CE1 2.88Å; E93-H126 PolarHBondContact OE2-CE1 3.31Å; E93-H126 IonicContact OE2-CG 2.75Å; E93-H126 IonicContact OE2-ND1 3.93Å; E93-H126 PolarHBondContact OE2-ND1 3.15Å; Y124-H126 VanDerWaalsContact C-N 3.25Å; Y124-H126 PolarHBondContact O-N 3.33Å
127K87.1Confident88.9Confident104 Ų10437.7 Ų37.745%0.45220%0.195SC..  trans-80.2134.2165.6173.5-173.2-179.1179.50108.6V37 S38V37-K127 WeakPolarHBondContact O-CE 2.91Å; V37-K127 WeakPolarHBondContact O-CG 3.33Å; S38-K127 VanDerWaalsContact O-CD 3.26Å; S38-K127 WeakPolarHBondContact O-CD 3.3Å; S38-K127 WeakPolarHBondContact O-CE 3.36Å; S38-K127 PolarHBondContact O-NZ 3.29Å
128A85.4Confident87.9Confident4 Ų441 Ų413%0.03322%0.217CC..  trans-70.5130.7169.500000111.4L87 W91 L130L87-A128 HydrophobicContact CB-CB 4.27Å; L87-A128 WeakPolarHBondContact O-CB 3.36Å; W91-A128 HydrophobicContact CB-CB 4.35Å; W91-A128 HydrophobicContact CD2-CB 4Å; W91-A128 VanDerWaalsContact CE3-CA 3.48Å; W91-A128 HydrophobicContact CE3-CB 3.59Å; W91-A128 HydrophobicContact CG-CB 4.33Å; W91-A128 HydrophobicContact CZ3-CB 4.27Å; A128-L130 HydrophobicContact CB-CD2 4.4Å; A128-L130 PolarHBondContact O-N 2.92Å
129D85.6Confident87.3Confident74 Ų7442.5 Ų42.540%0.39623%0.232SC..  trans-76106.2163.1-178.3-7000108.3W91 T131 A132W91-D129 HydrophobicContact CH2-CB 3.53Å; W91-D129 VanDerWaalsContact CH2-N 3.33Å; W91-D129 HydrophobicContact CZ2-CB 4.24Å; W91-D129 HydrophobicContact CZ3-CB 4.06Å; W91-D129 VanDerWaalsContact CZ3-N 3.27Å; D129-T131 PolarHBondContact O-N 2.86Å; D129-T131 VanDerWaalsContact O-N 3.08Å; D129-T131 WeakPolarHBondContact OD1-CB 3.14Å; D129-T131 PolarHBondContact OD1-N 3.11Å; D129-T131 PolarHBondContact OD1-OG1 2.76Å; D129-T131 PolarHBondContact OD2-OG1 3.49Å; D129-A132 HydrophobicContact CB-CB 3.94Å; D129-A132 PolarHBondContact O-N 2.97Å
130L84.2Confident86.6Confident55 Ų5545.7 Ų45.729%0.28825%0.247SC..THydrogen-bonded Turntrans-66.5-9-177.8-55179.4000113.3V37 H84 L87 A128V37-L130 HydrophobicContact CG2-CD1 4.41Å; H84-L130 HydrophobicContact CB-CD2 4.44Å; L87-L130 HydrophobicContact CB-CD2 4.31Å; L87-L130 HydrophobicContact CD1-CD2 3.86Å; A128-L130 HydrophobicContact CB-CD2 4.4Å; A128-L130 PolarHBondContact O-N 2.92Å
131T83.7Confident86.1Confident113 Ų11346.7 Ų46.769%0.69325%0.253SS*.THydrogen-bonded Turntrans-100.1-5.7176.471.40000113.2D129D129-T131 PolarHBondContact O-N 2.86Å; D129-T131 VanDerWaalsContact O-N 3.08Å; D129-T131 WeakPolarHBondContact OD1-CB 3.14Å; D129-T131 PolarHBondContact OD1-N 3.11Å; D129-T131 PolarHBondContact OD1-OG1 2.76Å; D129-T131 PolarHBondContact OD2-OG1 3.49Å
132A85Confident85.7Confident31 Ų3152.1 Ų52.126%0.25628%0.279SS..SBendtrans-112.3169.9-179.100000111.6W91 D129W91-A132 HydrophobicContact CH2-CB 4.21Å; D129-A132 HydrophobicContact CB-CB 3.94Å; D129-A132 PolarHBondContact O-N 2.97Å
133R88.7Confident85.4Confident115 Ų11557.1 Ų57.143%0.43430%0.3SS..  trans-77.7131.5172.4-68.3175.4175.5152.38109.7Y72 A73 S75 Y135Y72-R133 HydrophobicContact CE2-CB 4.18Å; Y72-R133 HydrophobicContact CE2-CG 4.22Å; Y72-R133 PolarHBondContact O-NE 2.98Å; A73-R133 PolarHBondContact O-NH2 3.37Å; A73-R133 VanDerWaalsContact O-NH2 3.08Å; S75-R133 WeakPolarHBondContact OG-CG 3.24Å; R133-Y135 PolarHBondContact O-N 3.2Å
134P89.6Confident85.1Confident0 Ų058.6 Ų58.60%031%0.31CS..SBendtrans-69.6-20.3-178.429.7-37000112.8Y70 L87 S90 W91 F92Y70-P134 HydrophobicContact CE1-CG 4.11Å; Y70-P134 WeakPolarHBondContact OH-CD 3.33Å; L87-P134 HydrophobicContact CD2-CB 4Å; L87-P134 HydrophobicContact CD2-CG 3.56Å; S90-P134 VanDerWaalsContact OG-CB 3.32Å; S90-P134 WeakPolarHBondContact OG-CB 3.37Å; S90-P134 WeakPolarHBondContact OG-CG 3.4Å; W91-P134 HydrophobicContact CE3-CB 4.03Å; F92-P134 WeakPolarHBondContact CB-O 3.41Å; F92-P134 VanDerWaalsContact CD1-O 3.3Å; F92-P134 WeakPolarHBondContact CD1-O 3.36Å; F92-P134 PolarHBondContact N-O 2.03Å
135Y88.3Confident84.9Confident29 Ų2959.6 Ų59.611%0.11432%0.318CS..SBendtrans-151165.9176.954.5-93.5000110.4L2 E7 Y72 F86 R133L2-Y135 HydrophobicContact CD1-CD1 4Å; L2-Y135 HydrophobicContact CD1-CE1 3.67Å; L2-Y135 HydrophobicContact CD2-CE1 3.97Å; L2-Y135 HydrophobicContact CG-CE1 4.24Å; E7-Y135 HydrophobicContact CG-CG 4.41Å; E7-Y135 WeakPolarHBondContact OE1-CB 3.26Å; E7-Y135 WeakPolarHBondContact OE1-CD1 3.26Å; E7-Y135 VanDerWaalsContact OE1-CG 3.3Å; Y72-Y135 AromaticContact CD2-CE2 3.87Å; Y72-Y135 HydrophobicContact CD2-CE2 3.87Å; Y72-Y135 AromaticContact CD2-CZ 3.8Å; Y72-Y135 AromaticContact CE2-CD2 3.8Å; Y72-Y135 HydrophobicContact CE2-CD2 3.8Å; Y72-Y135 HydrophobicContact CE2-CE1 4.47Å; Y72-Y135 AromaticContact CE2-CE2 3.4Å; Y72-Y135 HydrophobicContact CE2-CE2 3.4Å; Y72-Y135 HydrophobicContact CE2-CG 4.49Å; Y72-Y135 AromaticContact CE2-CZ 3.77Å; Y72-Y135 WeakPolarHBondContact CE2-O 3.46Å; Y72-Y135 PolarHBondContact OH-O 3.37Å; F86-Y135 HydrophobicContact CZ-CE1 4.28Å; R133-Y135 PolarHBondContact O-N 3.2Å
136V83Confident84.8Confident53 Ų5364.3 Ų64.332%0.32134%0.343SS..PPolyproline II helixtrans-87.7144.3171.91790000109.6G4 G5 N6 F143G4-V136 CarbonylContact C-O 3.52Å; G4-V136 VanDerWaalsContact CA-O 3.28Å; G4-V136 WeakPolarHBondContact CA-O 3.45Å; G5-V136 PolarHBondContact N-O 2.63Å; N6-V136 PolarHBondContact OD1-N 3.37Å; V136-F143 HydrophobicContact CB-CD2 4.16Å; V136-F143 HydrophobicContact CG1-CD2 3.51Å; V136-F143 HydrophobicContact CG1-CE2 3.56Å; V136-F143 HydrophobicContact CG1-CG 4.45Å
137S76.5Confident84.7Confident52 Ų5267.5 Ų67.536%0.36436%0.358SS..PPolyproline II helixtrans-60.2157.5179-63.90000111.9Y72Y72-S137 WeakPolarHBondContact CE1-OG 3.31Å; Y72-S137 VanDerWaalsContact CZ-OG 3.26Å; Y72-S137 PolarHBondContact OH-N 2.84Å; Y72-S137 PolarHBondContact OH-OG 3.21Å
138P72.2Confident84.9Confident73 Ų7362.6 Ų62.647%0.47434%0.337SS..SBendtrans-53.7161.5175.8-2330.5000113.2E3E3-P138 HydrophobicContact CB-CG 4.46Å; E3-P138 WeakPolarHBondContact O-CG 3.29Å
139P80Confident85.1Confident71 Ų7167.6 Ų67.646%0.46136%0.363SS..SBendcis-72.9153.27.828.3-36.5000114.6G5 Q142G5-P139 WeakPolarHBondContact CA-O 3.37Å; P139-Q142 HydrophobicContact CG-CB 4.24Å; P139-Q142 VanDerWaalsContact CG-OE1 3.27Å
140E79.6Confident85.3Confident67 Ų6766 Ų6631%0.31336%0.356SS..THydrogen-bonded Turntrans-53.7147.6175.664.3-83.4-167.100112.3Q142 H154E140-Q142 PolarHBondContact O-N 3.49Å; E140-H154 HydrophobicContact CB-CB 3.74Å; E140-H154 HydrophobicContact CG-CB 3.76Å; E140-H154 IonicContact OE1-CE1 2.63Å; E140-H154 IonicContact OE1-ND1 3.91Å
141C82.9Confident85.5Confident20 Ų2066.8 Ų66.814%0.13537%0.365CS..THydrogen-bonded Turntrans58.35.1175.4-55.40000117.5G5 F143 C144 C151G5-C141 CarbonylContact O-C 3.58Å; G5-C141 WeakPolarHBondContact O-CA 3.35Å; G5-C141 PolarHBondContact O-N 3.22Å; C141-F143 PolarHBondContact O-N 3.15Å; C141-C144 WeakPolarHBondContact CA-SG 3.29Å; C141-C144 VanDerWaalsContact CB-SG 3.59Å; C141-C144 PolarHBondContact O-SG 3.05Å; C141-C151 HydrophobicContact CB-CB 3.48Å; C141-C151 VanDerWaalsContact CB-CB 3.48Å; C141-C151 WeakPolarHBondContact CB-SG 3.26Å; C141-C151 VanDerWaalsContact SG-CA 3.53Å; C141-C151 WeakPolarHBondContact SG-CB 3.32Å; C141-C151 CovalentContact SG-SG 2.04Å; C141-C151 PolarHBondContact SG-SG 3.28Å
142Q85.8Confident85.5Confident115 Ų11562.1 Ų62.154%0.53734%0.337SS..THydrogen-bonded Turntrans-60.9-30.5-179.1-178.3176.8-6.100113.3G5 P139 E140G5-Q142 PolarHBondContact O-N 2.71Å; P139-Q142 HydrophobicContact CG-CB 4.24Å; P139-Q142 VanDerWaalsContact CG-OE1 3.27Å; E140-Q142 PolarHBondContact O-N 3.49Å
143F87.4Confident85.2Confident109 Ų10964.3 Ų64.348%0.47834%0.344SS..THydrogen-bonded Turntrans-122.734-172.1-61-77.2000111.7G5 N6 V136 C141G5-F143 PolarHBondContact O-N 3.49Å; N6-F143 HydrophobicContact CB-CB 3.89Å; N6-F143 WeakPolarHBondContact CB-O 3.43Å; V136-F143 HydrophobicContact CB-CD2 4.16Å; V136-F143 HydrophobicContact CG1-CD2 3.51Å; V136-F143 HydrophobicContact CG1-CE2 3.56Å; V136-F143 HydrophobicContact CG1-CG 4.45Å; C141-F143 PolarHBondContact O-N 3.15Å
144C89.4Confident84.9Confident30 Ų3062.7 Ų62.720%0.20334%0.341CS..  trans-60.5135.4175.7-66.20000112C141 A148 C156C141-C144 WeakPolarHBondContact CA-SG 3.29Å; C141-C144 VanDerWaalsContact CB-SG 3.59Å; C141-C144 PolarHBondContact O-SG 3.05Å; C144-A148 WeakPolarHBondContact CB-O 3.36Å; C144-C156 WeakPolarHBondContact CA-SG 3.11Å; C144-C156 HydrophobicContact CB-CB 3.65Å; C144-C156 WeakPolarHBondContact CB-SG 3.22Å; C144-C156 WeakPolarHBondContact SG-CA 3.4Å; C144-C156 WeakPolarHBondContact SG-CB 3.37Å; C144-C156 CovalentContact SG-SG 2.03Å; C144-C156 PolarHBondContact SG-SG 3.48Å
145P88.1Confident84.8Confident31 Ų3164 Ų6420%0.20135%0.348CS..  trans-71.2159.4175.532.3-35.6000110.7Q8 E147 A148 N149Q8-P145 HydrophobicContact CG-CG 4.28Å; P145-E147 VanDerWaalsContact C-N 3.26Å; P145-E147 HydrophobicContact CB-CG 4.36Å; P145-E147 HydrophobicContact CG-CG 4.4Å; P145-E147 PolarHBondContact O-N 3.27Å; P145-A148 HydrophobicContact CG-CB 4.02Å; P145-A148 CarbonylContact O-C 3.57Å; P145-A148 PolarHBondContact O-N 2.94Å; P145-N149 PolarHBondContact O-N 3.05Å; P145-N149 VanDerWaalsContact O-N 3.13Å
146N88.5Confident84.9Confident144 Ų14462.7 Ų62.777%0.7734%0.343SS*.G310 helixtrans-60.4-36-175.1-72.7-36.2000112.8A148N146-A148 VanDerWaalsContact C-N 3.26Å; N146-A148 PolarHBondContact O-N 3.47Å
147E88.4Confident85.2Confident128 Ų12860.2 Ų60.260%0.59833%0.328SS*.G310 helixtrans-71.8-15.8177.759.1-90.9-153.200114.2P145 K158P145-E147 VanDerWaalsContact C-N 3.26Å; P145-E147 HydrophobicContact CB-CG 4.36Å; P145-E147 HydrophobicContact CG-CG 4.4Å; P145-E147 PolarHBondContact O-N 3.27Å; E147-K158 WeakPolarHBondContact O-CG 3.27Å
148A90.2Very high85.8Confident1 Ų162.5 Ų62.51%0.00833%0.331CS..G310 helixtrans-137.349.1179.500000111.3Q8 C144 P145 N146 V150 C156 C157 K158Q8-A148 HydrophobicContact CG-CB 4.29Å; C144-A148 WeakPolarHBondContact CB-O 3.36Å; P145-A148 HydrophobicContact CG-CB 4.02Å; P145-A148 CarbonylContact O-C 3.57Å; P145-A148 PolarHBondContact O-N 2.94Å; N146-A148 VanDerWaalsContact C-N 3.26Å; N146-A148 PolarHBondContact O-N 3.47Å; A148-V150 VanDerWaalsContact C-N 3.31Å; A148-V150 PolarHBondContact O-N 2.95Å; A148-C156 HydrophobicContact CB-CB 4.48Å; A148-C156 CarbonylContact O-C 3.52Å; A148-C156 WeakPolarHBondContact O-CA 3.41Å; A148-C156 WeakPolarHBondContact O-CB 3.49Å; A148-C157 CarbonylContact C-O 3.56Å; A148-C157 WeakPolarHBondContact CA-O 3.42Å; A148-C157 PolarHBondContact O-N 3.36Å; A148-K158 HydrophobicContact CB-CG 4.28Å
149N90Very high86.3Confident109 Ų10964.8 Ų64.858%0.58333%0.331SS*.  trans-83.13.8-17167.8-4.2000115.2P145P145-N149 PolarHBondContact O-N 3.05Å; P145-N149 VanDerWaalsContact O-N 3.13Å
150V90.6Very high86.2Confident41 Ų4167 Ų6725%0.24834%0.338CS..EExtended strand (participates in β ladder)trans-94.3111.6178.9-176.70000109.2A148 T152 C157 I160A148-V150 VanDerWaalsContact C-N 3.31Å; A148-V150 PolarHBondContact O-N 2.95Å; V150-T152 PolarHBondContact O-N 2.89Å; V150-C157 VanDerWaalsContact CB-O 3.3Å; V150-C157 WeakPolarHBondContact CB-O 3.2Å; V150-C157 PolarHBondContact N-O 3.31Å; V150-C157 PolarHBondContact O-N 2.03Å; V150-I160 HydrophobicContact CG1-CG1 3.75Å
151C88.3Confident85.7Confident70 Ų7066.1 Ų66.147%0.47334%0.337SS..EExtended strand (participates in β ladder)trans-73.3115.2173-171.30000110.5C141 L155C141-C151 HydrophobicContact CB-CB 3.48Å; C141-C151 VanDerWaalsContact CB-CB 3.48Å; C141-C151 WeakPolarHBondContact CB-SG 3.26Å; C141-C151 VanDerWaalsContact SG-CA 3.53Å; C141-C151 WeakPolarHBondContact SG-CB 3.32Å; C141-C151 CovalentContact SG-SG 2.04Å; C141-C151 PolarHBondContact SG-SG 3.28Å; C151-L155 CarbonylContact C-O 3.48Å; C151-L155 WeakPolarHBondContact CA-O 3.4Å
152T83.7Confident84.5Confident16 Ų1673.4 Ų73.410%0.09837%0.367CS..EExtended strand (participates in β ladder)trans-135.5129.9174.9-58.50000109.7V150 H154 L155 V161V150-T152 PolarHBondContact O-N 2.89Å; T152-H154 PolarHBondContact O-N 3.17Å; T152-H154 VanDerWaalsContact O-N 3.16Å; T152-L155 PolarHBondContact N-O 2.98Å; T152-L155 PolarHBondContact O-N 3.34Å; T152-V161 HydrophobicContact CG2-CB 3.86Å; T152-V161 WeakPolarHBondContact CG2-O 3.37Å
153N77.2Confident82.8Confident76 Ų7670.9 Ų70.941%0.40635%0.354SS..THydrogen-bonded Turntrans48.740.9-177.7-60.4-24.1000112.9L155N153-L155 PolarHBondContact O-N 2.75Å
154H83.5Confident80.9Confident82 Ų8273 Ų7338%0.3837%0.366SS..THydrogen-bonded Turntrans6716.5178.9-53.2-163.5000113.8E3 E140 T152E3-H154 IonicContact OE1-ND1 2.87Å; E140-H154 HydrophobicContact CB-CB 3.74Å; E140-H154 HydrophobicContact CG-CB 3.76Å; E140-H154 IonicContact OE1-CE1 2.63Å; E140-H154 IonicContact OE1-ND1 3.91Å; T152-H154 PolarHBondContact O-N 3.17Å; T152-H154 VanDerWaalsContact O-N 3.16Å
155L87.5Confident78.6Confident28 Ų2877.5 Ų77.515%0.14739%0.387CS..EExtended strand (participates in β ladder)trans-119.2152175.9-64.5173000111.7M1 E7 C151 T152 N153 C157M1-L155 HydrophobicContact CE-CD1 3.53Å; M1-L155 HydrophobicContact CE-CD2 3.9Å; M1-L155 HydrophobicContact CE-CG 3.57Å; E7-L155 HydrophobicContact CB-CD2 3.66Å; E7-L155 CarbonylContact O-C 3.52Å; E7-L155 WeakPolarHBondContact O-CA 3.47Å; C151-L155 CarbonylContact C-O 3.48Å; C151-L155 WeakPolarHBondContact CA-O 3.4Å; T152-L155 PolarHBondContact N-O 2.98Å; T152-L155 PolarHBondContact O-N 3.34Å; N153-L155 PolarHBondContact O-N 2.75Å; L155-C157 PolarHBondContact O-SG 2.81Å
156C89.6Confident76.7Confident1 Ų180 Ų801%0.00740%0.404CS..EExtended strand (participates in β ladder)trans-82.4110174.2-62.50000110.9E7 Q8 C9 C144 A148E7-C156 WeakPolarHBondContact O-CB 3.36Å; E7-C156 PolarHBondContact O-N 3.26Å; Q8-C156 CarbonylContact C-O 3.53Å; Q8-C156 WeakPolarHBondContact CA-O 3.43Å; Q8-C156 HydrophobicContact CG-CB 4.09Å; C9-C156 PolarHBondContact N-O 3.49Å; C144-C156 WeakPolarHBondContact CA-SG 3.11Å; C144-C156 HydrophobicContact CB-CB 3.65Å; C144-C156 WeakPolarHBondContact CB-SG 3.22Å; C144-C156 WeakPolarHBondContact SG-CA 3.4Å; C144-C156 WeakPolarHBondContact SG-CB 3.37Å; C144-C156 CovalentContact SG-SG 2.03Å; C144-C156 PolarHBondContact SG-SG 3.48Å; A148-C156 HydrophobicContact CB-CB 4.48Å; A148-C156 CarbonylContact O-C 3.52Å; A148-C156 WeakPolarHBondContact O-CA 3.41Å; A148-C156 WeakPolarHBondContact O-CB 3.49Å
157C90.8Very high75Confident1 Ų176.4 Ų76.41%0.00738%0.382CS..EExtended strand (participates in β ladder)trans-125.4152.7-169.9-46.70000111C9 A148 V150 L155 Y159 V161C9-C157 HydrophobicContact CB-CB 3.69Å; C9-C157 WeakPolarHBondContact CB-SG 3.12Å; C9-C157 WeakPolarHBondContact SG-CB 3.49Å; C9-C157 CovalentContact SG-SG 2.03Å; C9-C157 PolarHBondContact SG-SG 3.35Å; A148-C157 CarbonylContact C-O 3.56Å; A148-C157 WeakPolarHBondContact CA-O 3.42Å; A148-C157 PolarHBondContact O-N 3.36Å; V150-C157 VanDerWaalsContact CB-O 3.3Å; V150-C157 WeakPolarHBondContact CB-O 3.2Å; V150-C157 PolarHBondContact N-O 3.31Å; V150-C157 PolarHBondContact O-N 2.03Å; L155-C157 PolarHBondContact O-SG 2.81Å; C157-Y159 WeakPolarHBondContact CB-O 3.28Å; C157-Y159 PolarHBondContact O-N 2.98Å; C157-V161 HydrophobicContact CB-CG2 4.23Å
158K88.7Confident73.2Confident99 Ų9974.2 Ų74.243%0.4338%0.375SS..SBendtrans-71.3-23.4178.4-55.9-166.8172.7168.60113.1E147 A148E147-K158 WeakPolarHBondContact O-CG 3.27Å; A148-K158 HydrophobicContact CB-CG 4.28Å
159Y83.1Confident72.1Confident121 Ų12178.7 Ų78.748%0.47540%0.397SS..SBendtrans-149.2163.3-179.346.3-94.4000108.1T11 C157 V161T11-Y159 HydrophobicContact CG2-CE1 4.2Å; C157-Y159 WeakPolarHBondContact CB-O 3.28Å; C157-Y159 PolarHBondContact O-N 2.98Å; Y159-V161 HydrophobicContact CE2-CG2 4.34Å; Y159-V161 PolarHBondContact O-N 3.29Å
160I77.3Confident71.3Confident117 Ų11777 Ų7760%0.639%0.391SS*.  trans-59.9110168.5-59.8174.2000106.5V150 K162V150-I160 HydrophobicContact CG1-CG1 3.75Å; I160-K162 PolarHBondContact O-N 2.99Å
161V68.2Low70.6Confident49 Ų4975.3 Ų75.330%0.29738%0.381SS..  trans-64.794164.8-178.10000105C9 T152 C157 Y159 K163C9-V161 WeakPolarHBondContact SG-CG2 3.35Å; T152-V161 HydrophobicContact CG2-CB 3.86Å; T152-V161 WeakPolarHBondContact CG2-O 3.37Å; C157-V161 HydrophobicContact CB-CG2 4.23Å; Y159-V161 HydrophobicContact CE2-CG2 4.34Å; Y159-V161 PolarHBondContact O-N 3.29Å; V161-K163 PolarHBondContact O-N 2.76Å
162K57.4Low70.4Confident174 Ų17474.4 Ų74.476%0.75738%0.376SS*.  trans-56.7118.1167.1-68.8-176.8-178.6178.50103.5I160 E164I160-K162 PolarHBondContact O-N 2.99Å; K162-E164 PolarHBondContact O-N 3.01Å
163K52.1Low70.7Confident62 Ų6279.3 Ų79.327%0.2740%0.401SS..  trans-45105.2162.8179.8177.1171.4-152.50104.1V161 N165 F167 N168 H269 S272V161-K163 PolarHBondContact O-N 2.76Å; K163-N165 PolarHBondContact O-N 3.25Å; K163-F167 PolarHBondContact NZ-O 2.94Å; K163-N168 WeakPolarHBondContact CD-OD1 3.4Å; K163-N168 WeakPolarHBondContact CE-OD1 3.28Å; K163-N168 PolarHBondContact NZ-OD1 3.43Å; K163-H269 WeakPolarHBondContact CE-O 3.18Å; K163-S272 VanDerWaalsContact NZ-CA 3.32Å; K163-S272 PolarHBondContact NZ-OG 3.18Å
164E46.4Very low71.5Confident154 Ų15478 Ų7872%0.7239%0.394SS*.  trans-52.8136.6172.9-79.3-166.9153.700104.3K162 C166K162-E164 PolarHBondContact O-N 3.01Å; E164-C166 PolarHBondContact O-N 3.12Å
165N41.5Very low72.1Confident124 Ų12477.1 Ų77.166%0.66339%0.389SS*.G310 helixtrans-6014.1-175.7-85.9-23.6000113K163 F167 N168K163-N165 PolarHBondContact O-N 3.25Å; N165-F167 PolarHBondContact O-N 3.24Å; N165-N168 PolarHBondContact O-N 2.95Å; N165-N168 PolarHBondContact OD1-ND2 2.58Å
166C48.5Very low72.5Confident82 Ų8278.2 Ų78.255%0.55440%0.395SS*.G310 helixtrans-34.6-47.2177.8-69.50000110.2E164E164-C166 PolarHBondContact O-N 3.12Å
167F51.8Low72.9Confident70 Ų7078.2 Ų78.231%0.30740%0.395SS..G310 helixtrans-15373.5166.4-55.9-79.4000111.2K163 N165 I169 V223 C271 S272K163-F167 PolarHBondContact NZ-O 2.94Å; N165-F167 PolarHBondContact O-N 3.24Å; F167-I169 PolarHBondContact O-N 3.42Å; F167-I169 VanDerWaalsContact O-N 3.12Å; F167-V223 HydrophobicContact CE1-CG1 4.23Å; F167-V223 HydrophobicContact CE2-CG1 4.43Å; F167-V223 HydrophobicContact CZ-CG1 3.96Å; F167-C271 HydrophobicContact CB-CB 4.32Å; F167-C271 CarbonylContact O-C 3.56Å; F167-C271 WeakPolarHBondContact O-CA 3.2Å; F167-S272 PolarHBondContact O-N 2.74Å
168N51.5Low73.2Confident82 Ų8279.5 Ų79.544%0.43940%0.4SS..  trans-75.916172.8-109-7.3000114K163 N165K163-N168 WeakPolarHBondContact CD-OD1 3.4Å; K163-N168 WeakPolarHBondContact CE-OD1 3.28Å; K163-N168 PolarHBondContact NZ-OD1 3.43Å; N165-N168 PolarHBondContact O-N 2.95Å; N165-N168 PolarHBondContact OD1-ND2 2.58Å
169I66Low73.5Confident95 Ų9575 Ų7549%0.48738%0.38SS..  trans-103.6112.8178.6-47.7172000107.5F167 S220 C271F167-I169 PolarHBondContact O-N 3.42Å; F167-I169 VanDerWaalsContact O-N 3.12Å; I169-S220 WeakPolarHBondContact CG2-OG 3.49Å; I169-C271 CarbonylContact O-C 3.49Å; I169-C271 VanDerWaalsContact O-C 3.31Å; I169-C271 VanDerWaalsContact O-CA 3.26Å; I169-C271 WeakPolarHBondContact O-CA 3.45Å; I169-C271 WeakPolarHBondContact O-CB 3.36Å
170T73.1Confident74.1Confident74 Ų7469.3 Ų69.345%0.45436%0.358SS..PPolyproline II helixtrans-67.1133.7170.6-54.60000108.4S172 L174 C271 W316T170-S172 PolarHBondContact O-N 3.4Å; T170-L174 HydrophobicContact CG2-CD1 4.16Å; T170-C271 WeakPolarHBondContact CA-O 3.36Å; T170-W316 HydrophobicContact CG2-CG 4.41Å
171A77.7Confident74.8Confident4 Ų466.1 Ų66.13%0.03334%0.34CS..PPolyproline II helixtrans-55.6135.5171.400000110.1L174 A214 C221 L224 W316A171-L174 HydrophobicContact CB-CD2 4.07Å; A171-L174 WeakPolarHBondContact O-CG 3.01Å; A171-A214 HydrophobicContact CB-CB 4.16Å; A171-C221 HydrophobicContact CB-CB 4.43Å; A171-L224 HydrophobicContact CB-CD1 4.36Å; A171-W316 HydrophobicContact CB-CH2 3.77Å; A171-W316 HydrophobicContact CB-CZ2 3.46Å; A171-W316 VanDerWaalsContact CB-CZ2 3.46Å; A171-W316 HydrophobicContact CB-CZ3 4.39Å
172S83.3Confident75.6Confident52 Ų5267.3 Ų67.336%0.36434%0.343SS..SBendtrans-81.9166174.965.10000111T170 L174 D218T170-S172 PolarHBondContact O-N 3.4Å; S172-L174 PolarHBondContact O-N 3.04Å; S172-D218 VanDerWaalsContact CB-OD2 3.29Å; S172-D218 WeakPolarHBondContact CB-OD2 3.02Å; S172-D218 PolarHBondContact N-OD2 2.76Å; S172-D218 PolarHBondContact OG-OD2 3.5Å
173N90.6Very high76.6Confident119 Ų11962.8 Ų62.864%0.63633%0.33SS*.SBendtrans57.350.9176.8-51.2-56.6000113.8T215N173-T215 VanDerWaalsContact CB-OG1 3.25Å; N173-T215 WeakPolarHBondContact CB-OG1 3.21Å; N173-T215 WeakPolarHBondContact O-CB 3.25Å; N173-T215 VanDerWaalsContact O-CG2 3.29Å; N173-T215 WeakPolarHBondContact O-CG2 3.47Å; N173-T215 PolarHBondContact O-N 3.42Å; N173-T215 PolarHBondContact O-OG1 2.83Å
174L93.7Very high77.4Confident49 Ų4962.5 Ų62.526%0.25734%0.335SS..EExtended strand (participates in β ladder)trans-80.6141.8176.5-58.6-178.9000111.7T170 A171 S172 R212 I213 A214 W316T170-L174 HydrophobicContact CG2-CD1 4.16Å; A171-L174 HydrophobicContact CB-CD2 4.07Å; A171-L174 WeakPolarHBondContact O-CG 3.01Å; S172-L174 PolarHBondContact O-N 3.04Å; L174-R212 HydrophobicContact CB-CB 4.01Å; L174-R212 HydrophobicContact CD1-CB 4.36Å; L174-I213 WeakPolarHBondContact CA-O 3.38Å; L174-A214 HydrophobicContact CD2-CB 4Å; L174-W316 HydrophobicContact CD1-CB 3.79Å; L174-W316 HydrophobicContact CD1-CD2 4.23Å; L174-W316 HydrophobicContact CD1-CG 3.9Å; L174-W316 HydrophobicContact CD2-CD2 3.86Å; L174-W316 HydrophobicContact CD2-CE3 3.49Å; L174-W316 VanDerWaalsContact CD2-CE3 3.49Å; L174-W316 HydrophobicContact CD2-CG 4.4Å; L174-W316 HydrophobicContact CD2-CZ3 3.99Å
175K95.1Very high78.5Confident63 Ų6356 Ų5627%0.27431%0.308SS..EExtended strand (participates in β ladder)trans-123.5152.9171.560.5-179.9169.7162.20110.8L177 T191 R212 I213 T215 I261K175-L177 PolarHBondContact O-N 2.79Å; K175-T191 HydrophobicContact CD-CG2 3.94Å; K175-T191 WeakPolarHBondContact CE-OG1 3.49Å; K175-T191 HydrophobicContact CG-CG2 4.06Å; K175-T191 PolarHBondContact NZ-OG1 2.86Å; K175-R212 CarbonylContact O-C 3.31Å; K175-R212 WeakPolarHBondContact O-CA 3.5Å; K175-R212 WeakPolarHBondContact O-CB 3.48Å; K175-I213 HydrophobicContact CG-CG2 3.99Å; K175-I213 PolarHBondContact N-O 2.82Å; K175-I213 PolarHBondContact O-N 3.06Å; K175-T215 HydrophobicContact CB-CG2 4.14Å; K175-T215 HydrophobicContact CD-CG2 3.62Å; K175-T215 HydrophobicContact CG-CG2 3.83Å; K175-I261 VanDerWaalsContact CE-O 3.28Å; K175-I261 WeakPolarHBondContact CE-O 3.03Å; K175-I261 PolarHBondContact NZ-O 3.09Å
176N97.4Very high80.4Confident51 Ų5152.6 Ų52.627%0.27329%0.29SS..EExtended strand (participates in β ladder)trans-59.8135.7177.8-67-17.6000110.7Y178 T191 I209N176-Y178 HydrophobicContact CB-CD2 4.42Å; N176-Y178 HydrophobicContact CB-CE2 3.62Å; N176-Y178 PolarHBondContact ND2-OH 3.3Å; N176-T191 WeakPolarHBondContact O-CA 3.4Å; N176-T191 WeakPolarHBondContact O-CB 3.22Å; N176-T191 WeakPolarHBondContact O-CG2 3.43Å; N176-I209 HydrophobicContact CB-CD1 4.31Å; N176-I209 HydrophobicContact CB-CG1 4.22Å; N176-I209 HydrophobicContact CB-CG2 4.28Å; N176-I209 WeakPolarHBondContact ND2-CD1 3.31Å
177L97.5Very high82.4Confident0 Ų049 Ų490%027%0.266CS..EExtended strand (participates in β ladder)trans-107123.8169.8-175.167.8000108.5K175 L189 T191 I209 I210 G211 I213 I261 F313 I315K175-L177 PolarHBondContact O-N 2.79Å; L177-L189 HydrophobicContact CD1-CB 4.25Å; L177-T191 HydrophobicContact CD1-CG2 3.66Å; L177-I209 WeakPolarHBondContact O-CA 3.25Å; L177-I210 HydrophobicContact CB-CG1 4.39Å; L177-I210 HydrophobicContact CD2-CD1 3.93Å; L177-I210 HydrophobicContact CD2-CG1 4.2Å; L177-I210 HydrophobicContact CG-CD1 4.23Å; L177-I210 HydrophobicContact CG-CG1 4.13Å; L177-I210 WeakPolarHBondContact O-CG1 3.47Å; L177-I210 PolarHBondContact O-N 2.87Å; L177-G211 PolarHBondContact N-O 3.03Å; L177-I213 HydrophobicContact CB-CG2 4.38Å; L177-I213 HydrophobicContact CD1-CG2 4.39Å; L177-I261 HydrophobicContact CD1-CD1 3.96Å; L177-F313 HydrophobicContact CD2-CE2 4.48Å; L177-I315 HydrophobicContact CD2-CD1 3.75Å; L177-I315 HydrophobicContact CD2-CG2 4.37Å
178Y96.9Very high84.5Confident29 Ų2946.2 Ų46.211%0.11425%0.254CS..EExtended strand (participates in β ladder)trans-104.4144.5-179.9-59.1-92.1000110.2N176 L189 T190 D193 V196 G208 I209N176-Y178 HydrophobicContact CB-CD2 4.42Å; N176-Y178 HydrophobicContact CB-CE2 3.62Å; N176-Y178 PolarHBondContact ND2-OH 3.3Å; Y178-L189 WeakPolarHBondContact O-CA 3.19Å; Y178-T190 WeakPolarHBondContact CD2-O 3.44Å; Y178-T190 PolarHBondContact N-O 2.68Å; Y178-T190 PolarHBondContact O-N 2.79Å; Y178-D193 WeakPolarHBondContact CE2-OD1 3.09Å; Y178-D193 PolarHBondContact OH-OD1 2.96Å; Y178-V196 HydrophobicContact CD1-CG2 4.15Å; Y178-V196 HydrophobicContact CD2-CG2 4.04Å; Y178-V196 HydrophobicContact CG-CG2 3.68Å; Y178-G208 WeakPolarHBondContact CA-O 3.34Å; Y178-I209 HydrophobicContact CD1-CG1 3.83Å; Y178-I209 HydrophobicContact CE1-CD1 4.15Å; Y178-I209 HydrophobicContact CE1-CG1 3.33Å
179R95.3Very high86.6Confident4 Ų442.4 Ų42.42%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-112.7126.1167.5-174.4171.763.3144.82.1110.1T187 V188 L189 V207 G208 I210 H289 Q291 E295R179-T187 HydrophobicContact CG-CG2 3.58Å; R179-V188 WeakPolarHBondContact CA-O 3.47Å; R179-L189 HydrophobicContact CB-CD2 3.78Å; R179-L189 HydrophobicContact CG-CD2 3.71Å; R179-V207 HydrophobicContact CB-CB 4.19Å; R179-V207 HydrophobicContact CB-CG2 4.44Å; R179-V207 HydrophobicContact CG-CG2 4.29Å; R179-V207 WeakPolarHBondContact O-CB 3.4Å; R179-V207 PolarHBondContact O-N 2.84Å; R179-G208 PolarHBondContact N-O 2.02Å; R179-G208 VanDerWaalsContact N-O 3.08Å; R179-I210 HydrophobicContact CB-CD1 4.11Å; R179-I210 HydrophobicContact CB-CG1 4.33Å; R179-I210 HydrophobicContact CB-CG2 3.51Å; R179-H289 PolarHBondContact NH1-O 2.82Å; R179-Q291 VanDerWaalsContact NE-OE1 3.16Å; R179-E295 IonicContact CZ-OE2 3.92Å; R179-E295 IonicContact NH1-OE1 3.18Å; R179-E295 IonicContact NH1-OE2 2.74Å; R179-E295 PolarHBondContact NH1-OE2 2.91Å; R179-E295 IonicContact NH2-OE2 2.94Å; R179-E295 PolarHBondContact NH2-OE2 3.35Å
180V95.1Very high88.1Confident1 Ų138.1 Ų38.11%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-129.5139.8179-1750000107.9T187 V188 V196 L199 A204 T205V180-T187 CarbonylContact O-C 3.37Å; V180-V188 PolarHBondContact N-O 2.83Å; V180-V188 PolarHBondContact O-N 3.28Å; V180-V196 HydrophobicContact CG2-CB 4.38Å; V180-V196 HydrophobicContact CG2-CG1 3.96Å; V180-V196 HydrophobicContact CG2-CG2 4.09Å; V180-L199 HydrophobicContact CB-CD1 4.13Å; V180-L199 HydrophobicContact CG1-CB 3.81Å; V180-L199 HydrophobicContact CG1-CD1 4.08Å; V180-L199 HydrophobicContact CG2-CD1 4.46Å; V180-A204 HydrophobicContact CG1-CB 3.48Å; V180-A204 VanDerWaalsContact CG1-CB 3.48Å; V180-T205 WeakPolarHBondContact CA-O 3.13Å
181H91.6Very high89.2Confident50 Ų5036 Ų3623%0.23120%0.199CC..EExtended strand (participates in β ladder)trans-138.1138.6-179.962.6-91.3000112.1N186 T205H181-N186 VanDerWaalsContact CA-O 3.29Å; H181-N186 WeakPolarHBondContact CA-O 3.39Å; H181-T205 PolarHBondContact N-O 2.85Å; H181-T205 PolarHBondContact O-N 3.07Å
182H85.1Confident90Very high75 Ų7539.7 Ų39.735%0.34722%0.218SC..SBendtrans-87.3-38.1166.9-77.4-81.1000111.5N186 A202H182-N186 HydrophobicContact CB-CB 4.22Å; H182-N186 PolarHBondContact N-O 3.2Å; H182-N186 VanDerWaalsContact N-O 3.08Å; H182-A202 PolarHBondContact CE1-O 3.43Å
183T77.6Confident90.5Very high79 Ų7941.3 Ų41.349%0.48522%0.223SC..SBendtrans-144.7168.4174.161.10000107.6A185 N186T183-A185 PolarHBondContact O-N 2.96Å; T183-A185 VanDerWaalsContact O-N 3.11Å; T183-A185 PolarHBondContact OG1-N 3.19Å; T183-N186 CarbonylContact O-C 3.2Å; T183-N186 PolarHBondContact O-N 3.2Å; T183-N186 PolarHBondContact OG1-N 3.26Å
184S70.2Confident90.7Very high55 Ų5539.1 Ų39.139%0.38521%0.214SC..THydrogen-bonded Turntrans-52.4-33.6173.6-53.30000112.6T288 Y306S184-T288 WeakPolarHBondContact O-CG2 3.5Å; S184-T288 PolarHBondContact O-OG1 2.86Å; S184-Y306 VanDerWaalsContact CB-OH 3.22Å; S184-Y306 WeakPolarHBondContact CB-OH 3.47Å
185A69.2Low90.8Very high18 Ų1840.3 Ų40.315%0.14922%0.218CC..THydrogen-bonded Turntrans-76-22.717700000115T183 S237 D285T183-A185 PolarHBondContact O-N 2.96Å; T183-A185 VanDerWaalsContact O-N 3.11Å; T183-A185 PolarHBondContact OG1-N 3.19Å; A185-S237 VanDerWaalsContact O-CB 3.26Å; A185-S237 WeakPolarHBondContact O-CB 3.41Å; A185-D285 HydrophobicContact CB-CB 3.46Å; A185-D285 VanDerWaalsContact CB-CB 3.46Å; A185-D285 WeakPolarHBondContact CB-OD2 3.08Å
186N82.2Confident90.8Very high52 Ų5237.9 Ų37.928%0.27821%0.208SC..  trans-117.265.8-170.2-164.4-26.9000109.9H181 H182 T183H181-N186 VanDerWaalsContact CA-O 3.29Å; H181-N186 WeakPolarHBondContact CA-O 3.39Å; H182-N186 HydrophobicContact CB-CB 4.22Å; H182-N186 PolarHBondContact N-O 3.2Å; H182-N186 VanDerWaalsContact N-O 3.08Å; T183-N186 CarbonylContact O-C 3.2Å; T183-N186 PolarHBondContact O-N 3.2Å; T183-N186 PolarHBondContact OG1-N 3.26Å
187T90.4Very high90.7Very high7 Ų740.9 Ų40.94%0.04322%0.221CC..EExtended strand (participates in β ladder)trans-88.5134.2175.1-62.70000109.8R179 V180 L189 N238R179-T187 HydrophobicContact CG-CG2 3.58Å; V180-T187 CarbonylContact O-C 3.37Å; T187-L189 HydrophobicContact CG2-CD2 4.24Å; T187-N238 WeakPolarHBondContact O-CB 3.39Å; T187-N238 PolarHBondContact O-ND2 3.26Å; T187-N238 VanDerWaalsContact O-ND2 3.16Å
188V95Very high90.7Very high11 Ų1147.2 Ų47.27%0.06725%0.248CC..EExtended strand (participates in β ladder)trans-116.5128173.9177.60000108.4R179 V180 L199 N238 Y240R179-V188 WeakPolarHBondContact CA-O 3.47Å; V180-V188 PolarHBondContact N-O 2.83Å; V180-V188 PolarHBondContact O-N 3.28Å; V188-L199 HydrophobicContact CB-CD1 4.07Å; V188-L199 HydrophobicContact CG1-CD1 3.86Å; V188-L199 HydrophobicContact CG2-CD1 4.26Å; V188-N238 WeakPolarHBondContact CG2-ND2 3.39Å; V188-Y240 WeakPolarHBondContact CA-OH 3.37Å
189L96.5Very high90.6Very high2 Ų247.2 Ų47.21%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-105.7117168.9-57.6-173.6000107.7L177 Y178 R179 T187 I210 Y240 I261 I277 H289 F313L177-L189 HydrophobicContact CD1-CB 4.25Å; Y178-L189 WeakPolarHBondContact O-CA 3.19Å; R179-L189 HydrophobicContact CB-CD2 3.78Å; R179-L189 HydrophobicContact CG-CD2 3.71Å; T187-L189 HydrophobicContact CG2-CD2 4.24Å; L189-I210 HydrophobicContact CD2-CD1 3.88Å; L189-Y240 HydrophobicContact CB-CD1 4.03Å; L189-Y240 HydrophobicContact CB-CD2 3.92Å; L189-Y240 HydrophobicContact CB-CE1 3.87Å; L189-Y240 HydrophobicContact CB-CE2 3.81Å; L189-Y240 HydrophobicContact CB-CG 4.06Å; L189-Y240 HydrophobicContact CD1-CD2 3.75Å; L189-Y240 HydrophobicContact CD1-CE2 4.37Å; L189-Y240 HydrophobicContact CD1-CG 3.91Å; L189-Y240 HydrophobicContact CG-CD2 3.69Å; L189-Y240 HydrophobicContact CG-CE2 3.79Å; L189-Y240 HydrophobicContact CG-CG 4.16Å; L189-Y240 PolarHBondContact N-OH 3.37Å; L189-Y240 VanDerWaalsContact O-CE1 3.23Å; L189-Y240 WeakPolarHBondContact O-CE1 3.42Å; L189-I261 HydrophobicContact CB-CD1 4.16Å; L189-I277 HydrophobicContact CD1-CG2 4.48Å; L189-H289 HydrophobicContact CD1-CB 4.07Å; L189-F313 HydrophobicContact CD1-CZ 3.99Å
190T96Very high90.6Very high6 Ų650.9 Ų50.94%0.03727%0.269CS..EExtended strand (participates in β ladder)trans-137.2159.4-179.3-1750000111.1Y178 N192 E195 V196Y178-T190 WeakPolarHBondContact CD2-O 3.44Å; Y178-T190 PolarHBondContact N-O 2.68Å; Y178-T190 PolarHBondContact O-N 2.79Å; T190-N192 PolarHBondContact OG1-N 2.69Å; T190-E195 WeakPolarHBondContact CB-OE2 3.29Å; T190-E195 HydrophobicContact CG2-CB 4.35Å; T190-E195 HydrophobicContact CG2-CG 4.39Å; T190-E195 PolarHBondContact OG1-OE2 3.24Å; T190-V196 HydrophobicContact CG2-CG2 3.65Å
191T96.2Very high90.6Very high30 Ų3058.6 Ų58.618%0.18431%0.305CS..SBendtrans-116.310.4176.459.50000111.8K175 N176 L177 I213K175-T191 HydrophobicContact CD-CG2 3.94Å; K175-T191 WeakPolarHBondContact CE-OG1 3.49Å; K175-T191 HydrophobicContact CG-CG2 4.06Å; K175-T191 PolarHBondContact NZ-OG1 2.86Å; N176-T191 WeakPolarHBondContact O-CA 3.4Å; N176-T191 WeakPolarHBondContact O-CB 3.22Å; N176-T191 WeakPolarHBondContact O-CG2 3.43Å; L177-T191 HydrophobicContact CD1-CG2 3.66Å; T191-I213 HydrophobicContact CG2-CG2 3.52Å
192N94.9Very high90.7Very high80 Ų8059.6 Ų59.643%0.42832%0.322SS..  trans-109.7108-177.3-176.7-13.5000110.2T190 T194 E195 V196T190-N192 PolarHBondContact OG1-N 2.69Å; N192-T194 PolarHBondContact O-N 3.21Å; N192-T194 VanDerWaalsContact OD1-CB 3.31Å; N192-T194 WeakPolarHBondContact OD1-CB 3.03Å; N192-T194 PolarHBondContact OD1-N 3.03Å; N192-E195 HydrophobicContact CB-CB 3.91Å; N192-E195 WeakPolarHBondContact O-CA 3.24Å; N192-E195 WeakPolarHBondContact O-CB 3.26Å; N192-E195 PolarHBondContact O-N 2.96Å; N192-E195 PolarHBondContact OD1-N 3.07Å; N192-V196 PolarHBondContact O-N 3.1Å; N192-V196 VanDerWaalsContact O-N 3.14Å
193D93.5Very high91.1Very high87 Ų8758.8 Ų58.847%0.46533%0.334SS..Hα-helixtrans-55.7-37.1179.2-60-7.8000112.2Y178 E195 V196 E197Y178-D193 WeakPolarHBondContact CE2-OD1 3.09Å; Y178-D193 PolarHBondContact OH-OD1 2.96Å; D193-E195 VanDerWaalsContact C-N 3.29Å; D193-E195 PolarHBondContact O-N 2.92Å; D193-V196 WeakPolarHBondContact O-CB 2.97Å; D193-V196 PolarHBondContact O-N 2.95Å; D193-E197 PolarHBondContact O-N 2.88Å; D193-E197 VanDerWaalsContact O-N 3.08Å
194T95.7Very high91.9Very high73 Ų7355.4 Ų55.445%0.44831%0.314SS..Hα-helixtrans-67.6-29.9177.1-53.10000112.3N192 K198N192-T194 PolarHBondContact O-N 3.21Å; N192-T194 VanDerWaalsContact OD1-CB 3.31Å; N192-T194 WeakPolarHBondContact OD1-CB 3.03Å; N192-T194 PolarHBondContact OD1-N 3.03Å; T194-K198 VanDerWaalsContact O-CG 3.28Å; T194-K198 WeakPolarHBondContact O-CG 3.09Å; T194-K198 PolarHBondContact O-N 3.34Å
195E94.9Very high93Very high74 Ų7456.7 Ų56.735%0.34632%0.32SS..Hα-helixtrans-71.8-39.6173.7-173.7175.2-16900111.1T190 N192 D193 E197 K198 L199T190-E195 WeakPolarHBondContact CB-OE2 3.29Å; T190-E195 HydrophobicContact CG2-CB 4.35Å; T190-E195 HydrophobicContact CG2-CG 4.39Å; T190-E195 PolarHBondContact OG1-OE2 3.24Å; N192-E195 HydrophobicContact CB-CB 3.91Å; N192-E195 WeakPolarHBondContact O-CA 3.24Å; N192-E195 WeakPolarHBondContact O-CB 3.26Å; N192-E195 PolarHBondContact O-N 2.96Å; N192-E195 PolarHBondContact OD1-N 3.07Å; D193-E195 VanDerWaalsContact C-N 3.29Å; D193-E195 PolarHBondContact O-N 2.92Å; E195-E197 VanDerWaalsContact C-N 3.35Å; E195-E197 PolarHBondContact O-N 3.32Å; E195-K198 PolarHBondContact O-N 2.86Å; E195-L199 HydrophobicContact CG-CD1 4.11Å; E195-L199 HydrophobicContact CG-CG 4.47Å; E195-L199 WeakPolarHBondContact O-CG 3.49Å; E195-L199 PolarHBondContact O-N 3.35Å
196V96Very high94.2Very high11 Ų1157.9 Ų57.97%0.06733%0.327CS..Hα-helixtrans-56.7-49.2174177.30000110.6Y178 V180 T190 N192 D193 K198 L199 I200Y178-V196 HydrophobicContact CD1-CG2 4.15Å; Y178-V196 HydrophobicContact CD2-CG2 4.04Å; Y178-V196 HydrophobicContact CG-CG2 3.68Å; V180-V196 HydrophobicContact CG2-CB 4.38Å; V180-V196 HydrophobicContact CG2-CG1 3.96Å; V180-V196 HydrophobicContact CG2-CG2 4.09Å; T190-V196 HydrophobicContact CG2-CG2 3.65Å; N192-V196 PolarHBondContact O-N 3.1Å; N192-V196 VanDerWaalsContact O-N 3.14Å; D193-V196 WeakPolarHBondContact O-CB 2.97Å; D193-V196 PolarHBondContact O-N 2.95Å; V196-K198 PolarHBondContact O-N 3.25Å; V196-L199 PolarHBondContact O-N 3.22Å; V196-I200 HydrophobicContact CG1-CD1 3.82Å; V196-I200 HydrophobicContact CG1-CG1 4.49Å; V196-I200 VanDerWaalsContact O-CG1 3.29Å; V196-I200 WeakPolarHBondContact O-CG1 3.42Å; V196-I200 PolarHBondContact O-N 3.2Å
197E95.8Very high94.6Very high114 Ų11458.1 Ų58.153%0.53333%0.33SS..Hα-helixtrans-60.7-42.4178.3-70.4178.3175.100112.7D193 E195 I200 Q201D193-E197 PolarHBondContact O-N 2.88Å; D193-E197 VanDerWaalsContact O-N 3.08Å; E195-E197 VanDerWaalsContact C-N 3.35Å; E195-E197 PolarHBondContact O-N 3.32Å; E197-I200 PolarHBondContact O-N 3.27Å; E197-Q201 WeakPolarHBondContact O-CB 3.45Å; E197-Q201 VanDerWaalsContact O-CG 3.28Å; E197-Q201 WeakPolarHBondContact O-CG 3.49Å; E197-Q201 PolarHBondContact O-N 3.31Å
198K95.9Very high94.7Very high133 Ų13358.9 Ų58.958%0.57834%0.339SS*.Hα-helixtrans-63.4-41.3177.4-75.4172-178.7175.20112.2T194 E195 V196 Q201 A202T194-K198 VanDerWaalsContact O-CG 3.28Å; T194-K198 WeakPolarHBondContact O-CG 3.09Å; T194-K198 PolarHBondContact O-N 3.34Å; E195-K198 PolarHBondContact O-N 2.86Å; V196-K198 PolarHBondContact O-N 3.25Å; K198-Q201 PolarHBondContact O-N 2.96Å; K198-A202 WeakPolarHBondContact O-CB 3.3Å; K198-A202 PolarHBondContact O-N 3.36Å
199L94.9Very high94.8Very high30 Ų3062.6 Ų62.616%0.15736%0.358CS..Hα-helixtrans-66.8-41.8177.5-70.5169.1000111.3V180 V188 E195 V196 Q201 A202 G203 A204V180-L199 HydrophobicContact CB-CD1 4.13Å; V180-L199 HydrophobicContact CG1-CB 3.81Å; V180-L199 HydrophobicContact CG1-CD1 4.08Å; V180-L199 HydrophobicContact CG2-CD1 4.46Å; V188-L199 HydrophobicContact CB-CD1 4.07Å; V188-L199 HydrophobicContact CG1-CD1 3.86Å; V188-L199 HydrophobicContact CG2-CD1 4.26Å; E195-L199 HydrophobicContact CG-CD1 4.11Å; E195-L199 HydrophobicContact CG-CG 4.47Å; E195-L199 WeakPolarHBondContact O-CG 3.49Å; E195-L199 PolarHBondContact O-N 3.35Å; V196-L199 PolarHBondContact O-N 3.22Å; L199-Q201 PolarHBondContact O-N 3.08Å; L199-A202 CarbonylContact O-C 3.59Å; L199-A202 WeakPolarHBondContact O-CA 3.48Å; L199-A202 WeakPolarHBondContact O-CB 3.3Å; L199-A202 PolarHBondContact O-N 3.41Å; L199-A202 VanDerWaalsContact O-N 3.11Å; L199-G203 PolarHBondContact O-N 2.93Å; L199-A204 HydrophobicContact CB-CB 4.02Å; L199-A204 WeakPolarHBondContact O-CB 3.33Å; L199-A204 PolarHBondContact O-N 2.81Å
200I95.6Very high94.7Very high80 Ų8063 Ų6341%0.4136%0.36SS..Hα-helixtrans-61-45.2174.5-66.7166.5000110.7V196 E197 A202 G203V196-I200 HydrophobicContact CG1-CD1 3.82Å; V196-I200 HydrophobicContact CG1-CG1 4.49Å; V196-I200 VanDerWaalsContact O-CG1 3.29Å; V196-I200 WeakPolarHBondContact O-CG1 3.42Å; V196-I200 PolarHBondContact O-N 3.2Å; E197-I200 PolarHBondContact O-N 3.27Å; I200-A202 PolarHBondContact O-N 2.95Å; I200-G203 PolarHBondContact O-N 3.04Å
201Q94.9Very high94.6Very high163 Ų16362.9 Ų62.976%0.76236%0.36SS*.Hα-helixtrans-61.5-29.8175.4-72.5172.517.200112.7E197 K198 L199 G203E197-Q201 WeakPolarHBondContact O-CB 3.45Å; E197-Q201 VanDerWaalsContact O-CG 3.28Å; E197-Q201 WeakPolarHBondContact O-CG 3.49Å; E197-Q201 PolarHBondContact O-N 3.31Å; K198-Q201 PolarHBondContact O-N 2.96Å; L199-Q201 PolarHBondContact O-N 3.08Å; Q201-G203 PolarHBondContact O-N 3.47Å
202A93.5Very high94.6Very high71 Ų7166.6 Ų66.659%0.58737%0.371SS*.THydrogen-bonded Turntrans-81.15173.600000113.8H182 K198 L199 I200H182-A202 PolarHBondContact CE1-O 3.43Å; K198-A202 WeakPolarHBondContact O-CB 3.3Å; K198-A202 PolarHBondContact O-N 3.36Å; L199-A202 CarbonylContact O-C 3.59Å; L199-A202 WeakPolarHBondContact O-CA 3.48Å; L199-A202 WeakPolarHBondContact O-CB 3.3Å; L199-A202 PolarHBondContact O-N 3.41Å; L199-A202 VanDerWaalsContact O-N 3.11Å; I200-A202 PolarHBondContact O-N 2.95Å
203G93.8Very high94.7Very high58 Ų5862.8 Ų62.860%0.59835%0.35SS*.THydrogen-bonded Turntrans91.717176.700000115.2L199 I200 Q201L199-G203 PolarHBondContact O-N 2.93Å; I200-G203 PolarHBondContact O-N 3.04Å; Q201-G203 PolarHBondContact O-N 3.47Å
204A94.2Very high94.8Very high8 Ų858.7 Ų58.77%0.06633%0.328CS..PPolyproline II helixtrans-79.7154.9170.800000112V180 L199V180-A204 HydrophobicContact CG1-CB 3.48Å; V180-A204 VanDerWaalsContact CG1-CB 3.48Å; L199-A204 HydrophobicContact CB-CB 4.02Å; L199-A204 WeakPolarHBondContact O-CB 3.33Å; L199-A204 PolarHBondContact O-N 2.81Å
205T94.2Very high94.7Very high82 Ų8258.7 Ų58.750%0.50333%0.328SS..EExtended strand (participates in β ladder)trans-97.8127170.6-590000109.4V180 H181V180-T205 WeakPolarHBondContact CA-O 3.13Å; H181-T205 PolarHBondContact N-O 2.85Å; H181-T205 PolarHBondContact O-N 3.07Å
206S93.2Very high94.5Very high43 Ų4356.3 Ų56.330%0.30132%0.324SS..EExtended strand (participates in β ladder)trans-87.9129.4173.1-174.80000110.6G208S206-G208 VanDerWaalsContact C-N 3.29Å; S206-G208 PolarHBondContact OG-N 2.93Å; S206-G208 VanDerWaalsContact OG-N 3.13Å
207V91.8Very high93.8Very high58 Ų5861.9 Ų61.935%0.35235%0.353SS..EExtended strand (participates in β ladder)trans-78-24.1166.5179.80000110.2R179 I210R179-V207 HydrophobicContact CB-CB 4.19Å; R179-V207 HydrophobicContact CB-CG2 4.44Å; R179-V207 HydrophobicContact CG-CG2 4.29Å; R179-V207 WeakPolarHBondContact O-CB 3.4Å; R179-V207 PolarHBondContact O-N 2.84Å; V207-I210 HydrophobicContact CG1-CG2 4.16Å
208G93Very high92.9Very high22 Ų2257.3 Ų57.323%0.22733%0.332CS..EExtended strand (participates in β ladder)trans94.8-156.1-174.100000112.3Y178 R179 S206 I210Y178-G208 WeakPolarHBondContact CA-O 3.34Å; R179-G208 PolarHBondContact N-O 2.02Å; R179-G208 VanDerWaalsContact N-O 3.08Å; S206-G208 VanDerWaalsContact C-N 3.29Å; S206-G208 PolarHBondContact OG-N 2.93Å; S206-G208 VanDerWaalsContact OG-N 3.13Å; G208-I210 PolarHBondContact O-N 3.48Å
209I95.3Very high92Very high90 Ų9057 Ų5746%0.46235%0.347SS..EExtended strand (participates in β ladder)trans-72.8121.5179.3-58.8167.5000108.2N176 L177 Y178 G211N176-I209 HydrophobicContact CB-CD1 4.31Å; N176-I209 HydrophobicContact CB-CG1 4.22Å; N176-I209 HydrophobicContact CB-CG2 4.28Å; N176-I209 WeakPolarHBondContact ND2-CD1 3.31Å; L177-I209 WeakPolarHBondContact O-CA 3.25Å; Y178-I209 HydrophobicContact CD1-CG1 3.83Å; Y178-I209 HydrophobicContact CE1-CD1 4.15Å; Y178-I209 HydrophobicContact CE1-CG1 3.33Å; I209-G211 WeakPolarHBondContact CG2-O 3.33Å
210I94.8Very high91.2Very high10 Ų1057.2 Ų57.25%0.05135%0.351CS..EExtended strand (participates in β ladder)trans-99-7.4175.861.1159.7000112.9L177 R179 L189 V207 G208 I275 I277 Q291 I315L177-I210 HydrophobicContact CB-CG1 4.39Å; L177-I210 HydrophobicContact CD2-CD1 3.93Å; L177-I210 HydrophobicContact CD2-CG1 4.2Å; L177-I210 HydrophobicContact CG-CD1 4.23Å; L177-I210 HydrophobicContact CG-CG1 4.13Å; L177-I210 WeakPolarHBondContact O-CG1 3.47Å; L177-I210 PolarHBondContact O-N 2.87Å; R179-I210 HydrophobicContact CB-CD1 4.11Å; R179-I210 HydrophobicContact CB-CG1 4.33Å; R179-I210 HydrophobicContact CB-CG2 3.51Å; L189-I210 HydrophobicContact CD2-CD1 3.88Å; V207-I210 HydrophobicContact CG1-CG2 4.16Å; G208-I210 PolarHBondContact O-N 3.48Å; I210-I275 WeakPolarHBondContact O-CD1 3.16Å; I210-I277 HydrophobicContact CD1-CD1 3.87Å; I210-Q291 HydrophobicContact CB-CB 4.29Å; I210-Q291 HydrophobicContact CB-CG 4.1Å; I210-Q291 HydrophobicContact CD1-CB 4.48Å; I210-Q291 HydrophobicContact CG2-CG 4.28Å; I210-I315 HydrophobicContact CD1-CD1 4.45Å; I210-I315 HydrophobicContact CG1-CD1 4.4Å
211G95.3Very high90.6Very high3 Ų353.5 Ų53.53%0.03133%0.332CS..EExtended strand (participates in β ladder)trans156.6-159179.900000110.6L177 I209 W316L177-G211 PolarHBondContact N-O 3.03Å; I209-G211 WeakPolarHBondContact CG2-O 3.33Å; G211-W316 CarbonylContact C-O 3.53Å; G211-W316 VanDerWaalsContact CA-O 3.31Å; G211-W316 WeakPolarHBondContact CA-O 3.46Å
212R96.1Very high90.1Very high109 Ų10950.6 Ų50.641%0.41133%0.329SS..EExtended strand (participates in β ladder)trans-132.5144.9179.9-57.1178.5177.2-178.3-0.7111.2L174 K175 I315 W316L174-R212 HydrophobicContact CB-CB 4.01Å; L174-R212 HydrophobicContact CD1-CB 4.36Å; K175-R212 CarbonylContact O-C 3.31Å; K175-R212 WeakPolarHBondContact O-CA 3.5Å; K175-R212 WeakPolarHBondContact O-CB 3.48Å; R212-I315 WeakPolarHBondContact O-CB 3.36Å; R212-W316 PolarHBondContact N-O 3.36Å; R212-W316 PolarHBondContact O-N 2.89Å
213I96.2Very high89.6Confident0 Ų049.7 Ų49.70%032%0.316CS..EExtended strand (participates in β ladder)trans-125.1148.3-178.8-166.7170.6000110.3L174 K175 L177 T191 V227 I261 Y263 A264L174-I213 WeakPolarHBondContact CA-O 3.38Å; K175-I213 HydrophobicContact CG-CG2 3.99Å; K175-I213 PolarHBondContact N-O 2.82Å; K175-I213 PolarHBondContact O-N 3.06Å; L177-I213 HydrophobicContact CB-CG2 4.38Å; L177-I213 HydrophobicContact CD1-CG2 4.39Å; T191-I213 HydrophobicContact CG2-CG2 3.52Å; I213-V227 HydrophobicContact CD1-CB 4.12Å; I213-V227 HydrophobicContact CD1-CG2 3.73Å; I213-I261 HydrophobicContact CD1-CD1 4.44Å; I213-I261 HydrophobicContact CD1-CG1 4.37Å; I213-Y263 WeakPolarHBondContact CG1-O 3.17Å; I213-A264 HydrophobicContact CD1-CB 4.34Å; I213-A264 HydrophobicContact CG1-CB 4.4Å
214A95.2Very high89.5Confident0 Ų047.6 Ų47.60%029%0.292CS..EExtended strand (participates in β ladder)trans-70.9144.9178.800000111A171 L174 L224 G262 Y263 W316A171-A214 HydrophobicContact CB-CB 4.16Å; L174-A214 HydrophobicContact CD2-CB 4Å; A214-L224 HydrophobicContact CB-CD1 4.27Å; A214-L224 HydrophobicContact CB-CD2 4.29Å; A214-G262 CarbonylContact O-C 3.29Å; A214-G262 VanDerWaalsContact O-CA 3.26Å; A214-G262 WeakPolarHBondContact O-CA 3.22Å; A214-Y263 WeakPolarHBondContact CB-O 3Å; A214-Y263 PolarHBondContact N-O 3.03Å; A214-Y263 PolarHBondContact O-N 3.42Å; A214-W316 HydrophobicContact CB-CH2 4.38Å; A214-W316 HydrophobicContact CB-CZ3 4.12Å
215T93.6Very high89.4Confident74 Ų7449.9 Ų49.945%0.45430%0.3SS..SBendtrans-81.3-19.8-178.646.30000113.9N173 K175N173-T215 VanDerWaalsContact CB-OG1 3.25Å; N173-T215 WeakPolarHBondContact CB-OG1 3.21Å; N173-T215 WeakPolarHBondContact O-CB 3.25Å; N173-T215 VanDerWaalsContact O-CG2 3.29Å; N173-T215 WeakPolarHBondContact O-CG2 3.47Å; N173-T215 PolarHBondContact O-N 3.42Å; N173-T215 PolarHBondContact O-OG1 2.83Å; K175-T215 HydrophobicContact CB-CG2 4.14Å; K175-T215 HydrophobicContact CD-CG2 3.62Å; K175-T215 HydrophobicContact CG-CG2 3.83Å
216G90Very high89.4Confident24 Ų2447.3 Ų47.325%0.24729%0.285CS..SBendtrans-163.2-178.7-174.300000111.3D218 Y263G216-D218 PolarHBondContact O-N 2.86Å; G216-Y263 VanDerWaalsContact CA-CE2 3.49Å
217N81.8Confident89.6Confident127 Ų12745.2 Ų45.268%0.67927%0.27SS*.  trans-60.8136.5167.1-89.8-8.5000110.3
218D78.1Confident89.9Confident18 Ų1843.5 Ų43.510%0.09626%0.258CS..  trans-121.6121.7174.5-173.6-9.2000109.2S172 G216 S220 C221 L224S172-D218 VanDerWaalsContact CB-OD2 3.29Å; S172-D218 WeakPolarHBondContact CB-OD2 3.02Å; S172-D218 PolarHBondContact N-OD2 2.76Å; S172-D218 PolarHBondContact OG-OD2 3.5Å; G216-D218 PolarHBondContact O-N 2.86Å; D218-S220 PolarHBondContact O-N 2.73Å; D218-S220 WeakPolarHBondContact OD1-CB 3.28Å; D218-S220 PolarHBondContact OD1-N 2.93Å; D218-S220 PolarHBondContact OD1-OG 3.02Å; D218-S220 VanDerWaalsContact OD1-OG 3.11Å; D218-S220 PolarHBondContact OD2-OG 2.98Å; D218-C221 CarbonylContact O-C 3.53Å; D218-C221 VanDerWaalsContact O-C 3.29Å; D218-C221 PolarHBondContact O-N 3.12Å; D218-C221 VanDerWaalsContact O-O 3.1Å; D218-L224 HydrophobicContact CB-CD1 3.66Å
219S75.5Confident90.1Very high127 Ų12743.9 Ų43.989%0.88825%0.254SS*.THydrogen-bonded Turntrans-55-23.4173.454.10000113.7C221S219-C221 VanDerWaalsContact C-N 3.34Å
220S79.2Confident90.2Very high35 Ų3539.6 Ų39.625%0.24523%0.232CC..THydrogen-bonded Turntrans-76.3-22.6179.393.10000112.9I169 D218I169-S220 WeakPolarHBondContact CG2-OG 3.49Å; D218-S220 PolarHBondContact O-N 2.73Å; D218-S220 WeakPolarHBondContact OD1-CB 3.28Å; D218-S220 PolarHBondContact OD1-N 2.93Å; D218-S220 PolarHBondContact OD1-OG 3.02Å; D218-S220 VanDerWaalsContact OD1-OG 3.11Å; D218-S220 PolarHBondContact OD2-OG 2.98Å
221C83.3Confident90.2Very high2 Ų242.3 Ų42.31%0.01424%0.242CC..  trans-129.386.2177.5-178.80000110.1A171 D218 S219 V223 L224 C271A171-C221 HydrophobicContact CB-CB 4.43Å; D218-C221 CarbonylContact O-C 3.53Å; D218-C221 VanDerWaalsContact O-C 3.29Å; D218-C221 PolarHBondContact O-N 3.12Å; D218-C221 VanDerWaalsContact O-O 3.1Å; S219-C221 VanDerWaalsContact C-N 3.34Å; C221-V223 PolarHBondContact O-N 3.34Å; C221-L224 HydrophobicContact CB-CD1 4.07Å; C221-L224 HydrophobicContact CB-CG 3.92Å; C221-L224 WeakPolarHBondContact O-CG 3.38Å; C221-L224 PolarHBondContact O-N 3.28Å; C221-C271 VanDerWaalsContact CA-SG 3.52Å; C221-C271 HydrophobicContact CB-CB 3.71Å; C221-C271 WeakPolarHBondContact CB-SG 3.1Å; C221-C271 WeakPolarHBondContact SG-CB 3.49Å; C221-C271 CovalentContact SG-SG 2Å; C221-C271 PolarHBondContact SG-SG 3.41Å
222S83Confident90.2Very high101 Ų10142.3 Ų42.371%0.70624%0.241SC*.THydrogen-bonded Turntrans-67-8.1-176.960.20000114.8
223V84.8Confident90Very high52 Ų5240.5 Ų40.532%0.31524%0.244SC..THydrogen-bonded Turntrans-101.88.6-178.7-610000113F167 C221 K225 V265 C271F167-V223 HydrophobicContact CE1-CG1 4.23Å; F167-V223 HydrophobicContact CE2-CG1 4.43Å; F167-V223 HydrophobicContact CZ-CG1 3.96Å; C221-V223 PolarHBondContact O-N 3.34Å; V223-K225 PolarHBondContact O-N 3.03Å; V223-V265 HydrophobicContact CG2-CG1 4.05Å; V223-C271 VanDerWaalsContact CG2-SG 3.53Å
224L89.9Confident89.8Confident15 Ų1546.7 Ų46.78%0.07927%0.273CS..  trans-61.2133.1172.9-80.8174.3000111.2A171 A214 D218 C221 A264 V265 W316A171-L224 HydrophobicContact CB-CD1 4.36Å; A214-L224 HydrophobicContact CB-CD1 4.27Å; A214-L224 HydrophobicContact CB-CD2 4.29Å; D218-L224 HydrophobicContact CB-CD1 3.66Å; C221-L224 HydrophobicContact CB-CD1 4.07Å; C221-L224 HydrophobicContact CB-CG 3.92Å; C221-L224 WeakPolarHBondContact O-CG 3.38Å; C221-L224 PolarHBondContact O-N 3.28Å; L224-A264 WeakPolarHBondContact CA-O 3.46Å; L224-V265 HydrophobicContact CD2-CG1 4.18Å; L224-W316 HydrophobicContact CD2-CH2 3.55Å; L224-W316 HydrophobicContact CD2-CZ2 4.26Å; L224-W316 HydrophobicContact CD2-CZ3 4.5Å
225K92.2Very high89.6Confident56 Ų5648.8 Ų48.824%0.24328%0.282CS..EExtended strand (participates in β ladder)trans-121145172.4-66-171.8179.3174.50110.3V223 A242 Y263 A264V223-K225 PolarHBondContact O-N 3.03Å; K225-A242 HydrophobicContact CB-CB 4.33Å; K225-A242 WeakPolarHBondContact CD-O 3.49Å; K225-Y263 CarbonylContact O-C 3.5Å; K225-Y263 VanDerWaalsContact O-CA 3.25Å; K225-Y263 WeakPolarHBondContact O-CA 3.11Å; K225-A264 PolarHBondContact N-O 3.34Å; K225-A264 PolarHBondContact O-N 3.41Å
226P95.8Very high89.5Confident27 Ų2752.2 Ų52.218%0.17529%0.29CS..EExtended strand (participates in β ladder)trans-64.7136.9173.928.4-34.3000110.5H228 A242 I260 Y263P226-H228 WeakPolarHBondContact CG-NE2 3.49Å; P226-A242 WeakPolarHBondContact O-CA 3.42Å; P226-I260 HydrophobicContact CB-CD1 3.79Å; P226-I260 HydrophobicContact CB-CG1 4.13Å; P226-I260 HydrophobicContact CB-CG2 4.02Å; P226-Y263 HydrophobicContact CB-CD1 4.17Å; P226-Y263 HydrophobicContact CB-CE1 3.88Å
227V97.1Very high89.6Confident0 Ų051.1 Ų51.10%028%0.279CS..EExtended strand (participates in β ladder)trans-92.8104.6169.8-176.40000108.5I213 I241 A242 I260 I261 G262 A264 F313I213-V227 HydrophobicContact CD1-CB 4.12Å; I213-V227 HydrophobicContact CD1-CG2 3.73Å; V227-I241 CarbonylContact C-O 3.46Å; V227-I241 WeakPolarHBondContact CA-O 3.35Å; V227-A242 HydrophobicContact CG2-CB 4.26Å; V227-I260 WeakPolarHBondContact O-CA 3.3Å; V227-I261 HydrophobicContact CB-CD1 4.43Å; V227-I261 HydrophobicContact CB-CG1 3.91Å; V227-I261 HydrophobicContact CG1-CD1 3.89Å; V227-I261 HydrophobicContact CG1-CG1 3.8Å; V227-I261 PolarHBondContact O-N 3.31Å; V227-G262 PolarHBondContact N-O 3.41Å; V227-A264 HydrophobicContact CG2-CB 3.41Å; V227-A264 VanDerWaalsContact CG2-CB 3.41Å; V227-F313 HydrophobicContact CG1-CD1 3.96Å; V227-F313 HydrophobicContact CG1-CE1 3.57Å; V227-F313 HydrophobicContact CG1-CE2 4.43Å; V227-F313 HydrophobicContact CG1-CZ 3.84Å; V227-F313 HydrophobicContact CG2-CD1 4.22Å; V227-F313 HydrophobicContact CG2-CD2 4.15Å; V227-F313 HydrophobicContact CG2-CE1 4.48Å; V227-F313 HydrophobicContact CG2-CE2 4.38Å; V227-F313 HydrophobicContact CG2-CG 4.08Å
228H97.2Very high90.2Very high21 Ų2145.9 Ų45.910%0.09725%0.251CS..EExtended strand (participates in β ladder)trans-77.3127.4178.3-69.2-81.6000110.7P226 I230 Y240 I241 F247 G259P226-H228 WeakPolarHBondContact CG-NE2 3.49Å; H228-I230 HydrophobicContact CB-CG2 4.25Å; H228-Y240 VanDerWaalsContact O-CA 3.28Å; H228-Y240 WeakPolarHBondContact O-CA 3.33Å; H228-I241 HydrophobicContact CB-CG2 4.03Å; H228-I241 PolarHBondContact N-O 3.06Å; H228-I241 PolarHBondContact O-N 2.79Å; H228-F247 HydrophobicContact CB-CD2 3.58Å; H228-F247 HydrophobicContact CB-CE2 3.71Å; H228-F247 AromaticContact CG-CD2 3.6Å; H228-F247 AromaticContact CG-CE2 3.62Å; H228-F247 AromaticContact ND1-CE2 3.63Å; H228-F247 AromaticContact ND1-CZ 3.86Å; H228-G259 WeakPolarHBondContact CA-O 3.5Å
229H97.3Very high91Very high31 Ų3145.4 Ų45.414%0.14425%0.248CC..EExtended strand (participates in β ladder)trans-89.7117.5164.9173.8-158.9000108.3N238 Y240 K258 G259 I261H229-N238 PolarHBondContact NE2-OD1 3.29Å; H229-Y240 HydrophobicContact CB-CD1 3.82Å; H229-Y240 HydrophobicContact CB-CE1 3.67Å; H229-Y240 AromaticContact CD2-CE1 3.49Å; H229-Y240 VanDerWaalsContact CD2-CE1 3.49Å; H229-Y240 WeakPolarHBondContact CD2-CE1 3.39Å; H229-Y240 AromaticContact CD2-CZ 3.68Å; H229-Y240 AromaticContact CG-CE1 3.49Å; H229-Y240 VanDerWaalsContact CG-CE1 3.49Å; H229-Y240 AromaticContact NE2-CZ 3.93Å; H229-K258 HydrophobicContact CB-CB 4.2Å; H229-K258 WeakPolarHBondContact ND1-CB 3.31Å; H229-K258 WeakPolarHBondContact O-CA 3.46Å; H229-K258 WeakPolarHBondContact O-CB 3.47Å; H229-K258 PolarHBondContact O-N 3.37Å; H229-G259 PolarHBondContact N-O 3.18Å; H229-G259 PolarHBondContact O-N 2.9Å; H229-I261 HydrophobicContact CB-CG2 3.94Å
230I96.8Very high92Very high0 Ų039.3 Ų39.30%021%0.206CC..EExtended strand (participates in β ladder)trans-125.1156175.767.8175.7000109.4H228 Y239 I241 F247 R250 M251 Y255 V256H228-I230 HydrophobicContact CB-CG2 4.25Å; I230-Y239 HydrophobicContact CD1-CD1 3.86Å; I230-Y239 HydrophobicContact CD1-CG 4.43Å; I230-Y239 HydrophobicContact CG1-CD1 4.21Å; I230-Y239 HydrophobicContact CG1-CG 4.29Å; I230-Y239 WeakPolarHBondContact CG1-O 3.25Å; I230-Y239 PolarHBondContact N-O 3.01Å; I230-Y239 PolarHBondContact O-N 3.37Å; I230-Y239 VanDerWaalsContact O-O 3.13Å; I230-I241 HydrophobicContact CD1-CG2 4.23Å; I230-F247 HydrophobicContact CG2-CD2 3.81Å; I230-F247 HydrophobicContact CG2-CE2 3.52Å; I230-R250 HydrophobicContact CD1-CB 3.61Å; I230-R250 HydrophobicContact CD1-CG 4.1Å; I230-M251 HydrophobicContact CB-CE 3.82Å; I230-M251 HydrophobicContact CD1-CE 3.83Å; I230-M251 HydrophobicContact CG1-CE 4.43Å; I230-M251 HydrophobicContact CG2-CE 3.52Å; I230-Y255 HydrophobicContact CB-CD1 4.5Å; I230-Y255 HydrophobicContact CD1-CD1 3.66Å; I230-Y255 HydrophobicContact CD1-CE1 4.36Å; I230-Y255 HydrophobicContact CD1-CG 4.18Å; I230-Y255 HydrophobicContact CG1-CD1 3.86Å; I230-V256 CarbonylContact C-O 3.52Å; I230-V256 VanDerWaalsContact CA-O 3.3Å; I230-V256 WeakPolarHBondContact CA-O 3.3Å
231Y95.6Very high92.6Very high67 Ų6737.8 Ų37.826%0.26320%0.195SC..EExtended strand (participates in β ladder)trans-124.2131.7-177.7179-100.5000110.1P233 K236 S237 Y255 V256Y231-P233 HydrophobicContact CD1-CG 4.41Å; Y231-P233 WeakPolarHBondContact O-CD 3.36Å; Y231-K236 VanDerWaalsContact OH-CA 3.26Å; Y231-K236 WeakPolarHBondContact OH-CA 3.5Å; Y231-S237 VanDerWaalsContact CD2-O 3.32Å; Y231-S237 WeakPolarHBondContact CD2-O 3.25Å; Y231-Y255 WeakPolarHBondContact O-CA 3.22Å; Y231-V256 PolarHBondContact N-O 3.45Å; Y231-V256 PolarHBondContact O-N 2.85Å
232S94.4Very high93Very high2 Ų237.9 Ų37.91%0.01420%0.195CC..EExtended strand (participates in β ladder)trans-89.6113.1171.6-175.60000110H234 F235 K236 S237 Y255S232-H234 PolarHBondContact O-N 3.01Å; S232-H234 PolarHBondContact OG-N 3.32Å; S232-F235 WeakPolarHBondContact OG-CD2 3.31Å; S232-F235 PolarHBondContact OG-N 2.81Å; S232-F235 VanDerWaalsContact OG-N 3.17Å; S232-K236 WeakPolarHBondContact O-CA 3.43Å; S232-K236 PolarHBondContact O-N 2.92Å; S232-S237 PolarHBondContact N-O 3.08Å; S232-Y255 VanDerWaalsContact CB-CE1 3.5Å
233P93.3Very high93Very high71 Ų7135 Ų3546%0.46117%0.172SC..THydrogen-bonded Turntrans-64.8-28171.3-20.234.2000112.6Y231 V256Y231-P233 HydrophobicContact CD1-CG 4.41Å; Y231-P233 WeakPolarHBondContact O-CD 3.36Å; P233-V256 HydrophobicContact CG-CG2 4.01Å
234H91.6Very high93Very high131 Ų13136 Ų3661%0.60618%0.175SC*.THydrogen-bonded Turntrans-69.6-56-179.9-178.575.2000111.6S232 K236S232-H234 PolarHBondContact O-N 3.01Å; S232-H234 PolarHBondContact OG-N 3.32Å; H234-K236 VanDerWaalsContact C-N 3.34Å
235F91.3Very high92.5Very high44 Ų4440.9 Ų40.919%0.19319%0.194CC..THydrogen-bonded Turntrans-82.9-11.8179.4-62.8-65.6000113.6S232 S237 F281 Y283S232-F235 WeakPolarHBondContact OG-CD2 3.31Å; S232-F235 PolarHBondContact OG-N 2.81Å; S232-F235 VanDerWaalsContact OG-N 3.17Å; F235-S237 WeakPolarHBondContact CB-OG 3.36Å; F235-S237 PolarHBondContact O-N 3.36Å; F235-F281 HydrophobicContact CE1-CE2 4.07Å; F235-F281 HydrophobicContact CE1-CZ 4.08Å; F235-F281 HydrophobicContact CE2-CE2 4.07Å; F235-F281 AromaticContact CZ-CE2 3.75Å; F235-F281 HydrophobicContact CZ-CE2 3.75Å; F235-F281 AromaticContact CZ-CZ 3.81Å; F235-F281 HydrophobicContact CZ-CZ 3.81Å; F235-Y283 WeakPolarHBondContact CD1-O 3.14Å; F235-Y283 HydrophobicContact CE1-CD2 4.41Å; F235-Y283 WeakPolarHBondContact CE1-O 3.46Å
236K91.5Very high91.9Very high145 Ų14540.6 Ų40.663%0.6319%0.194SC*.THydrogen-bonded Turntrans57.829.5-174.1-55.8176.2-177.8173.90113.9Y231 S232 H234Y231-K236 VanDerWaalsContact OH-CA 3.26Å; Y231-K236 WeakPolarHBondContact OH-CA 3.5Å; S232-K236 WeakPolarHBondContact O-CA 3.43Å; S232-K236 PolarHBondContact O-N 2.92Å; H234-K236 VanDerWaalsContact C-N 3.34Å
237S92.7Very high91.6Very high2 Ų240.7 Ų40.71%0.01419%0.192CC..EExtended strand (participates in β ladder)trans-120.2154.5-176.850.10000112.5A185 Y231 S232 F235 D285A185-S237 VanDerWaalsContact O-CB 3.26Å; A185-S237 WeakPolarHBondContact O-CB 3.41Å; Y231-S237 VanDerWaalsContact CD2-O 3.32Å; Y231-S237 WeakPolarHBondContact CD2-O 3.25Å; S232-S237 PolarHBondContact N-O 3.08Å; F235-S237 WeakPolarHBondContact CB-OG 3.36Å; F235-S237 PolarHBondContact O-N 3.36Å; S237-D285 VanDerWaalsContact CB-O 3.32Å; S237-D285 WeakPolarHBondContact CB-O 3.31Å; S237-D285 PolarHBondContact OG-O 2.64Å; S237-D285 VanDerWaalsContact OG-O 3.13Å
238N94.5Very high91.2Very high17 Ų1746.9 Ų46.99%0.09122%0.219CC..EExtended strand (participates in β ladder)trans-84.5143172.6-56.1-71.3000109.3T187 V188 H229 Y240T187-N238 WeakPolarHBondContact O-CB 3.39Å; T187-N238 PolarHBondContact O-ND2 3.26Å; T187-N238 VanDerWaalsContact O-ND2 3.16Å; V188-N238 WeakPolarHBondContact CG2-ND2 3.39Å; H229-N238 PolarHBondContact NE2-OD1 3.29Å; N238-Y240 HydrophobicContact CB-CE2 3.65Å
239Y93.5Very high90.6Very high7 Ų747.6 Ų47.63%0.02723%0.225CC..EExtended strand (participates in β ladder)trans-129.1129173.1-176.7-158.5000109.2I230 I241 L246 R250 Y255 D279 I287 H289I230-Y239 HydrophobicContact CD1-CD1 3.86Å; I230-Y239 HydrophobicContact CD1-CG 4.43Å; I230-Y239 HydrophobicContact CG1-CD1 4.21Å; I230-Y239 HydrophobicContact CG1-CG 4.29Å; I230-Y239 WeakPolarHBondContact CG1-O 3.25Å; I230-Y239 PolarHBondContact N-O 3.01Å; I230-Y239 PolarHBondContact O-N 3.37Å; I230-Y239 VanDerWaalsContact O-O 3.13Å; Y239-I241 HydrophobicContact CE1-CD1 4.06Å; Y239-I241 HydrophobicContact CE2-CB 4.34Å; Y239-L246 WeakPolarHBondContact OH-CD2 3.44Å; Y239-R250 HydrophobicContact CD1-CG 4.27Å; Y239-R250 HydrophobicContact CE1-CG 4.06Å; Y239-Y255 HydrophobicContact CD1-CE1 4.12Å; Y239-D279 WeakPolarHBondContact CE2-OD2 3.48Å; Y239-D279 PolarHBondContact OH-OD2 2.97Å; Y239-I287 HydrophobicContact CD1-CG1 4.48Å; Y239-I287 HydrophobicContact CD2-CB 4.04Å; Y239-I287 HydrophobicContact CD2-CG1 4.27Å; Y239-I287 HydrophobicContact CD2-CG2 3.59Å; Y239-I287 HydrophobicContact CE2-CB 4.45Å; Y239-I287 HydrophobicContact CE2-CG1 4.4Å; Y239-I287 HydrophobicContact CE2-CG2 3.76Å; Y239-I287 HydrophobicContact CG-CB 4.33Å; Y239-I287 HydrophobicContact CG-CG1 4.35Å; Y239-I287 HydrophobicContact CG-CG2 4.37Å; Y239-H289 AromaticContact CD2-CE1 3.45Å; Y239-H289 VanDerWaalsContact CD2-CE1 3.45Å; Y239-H289 WeakPolarHBondContact CD2-CE1 3.31Å; Y239-H289 AromaticContact CD2-NE2 3.51Å; Y239-H289 AromaticContact CE2-CE1 3.72Å
240Y96.2Very high90.2Very high0 Ų048.7 Ų48.70%023%0.228CC..EExtended strand (participates in β ladder)trans-114.1120.2-179.9-57-89.6000109.6V188 L189 H228 H229 N238 I261 H289V188-Y240 WeakPolarHBondContact CA-OH 3.37Å; L189-Y240 HydrophobicContact CB-CD1 4.03Å; L189-Y240 HydrophobicContact CB-CD2 3.92Å; L189-Y240 HydrophobicContact CB-CE1 3.87Å; L189-Y240 HydrophobicContact CB-CE2 3.81Å; L189-Y240 HydrophobicContact CB-CG 4.06Å; L189-Y240 HydrophobicContact CD1-CD2 3.75Å; L189-Y240 HydrophobicContact CD1-CE2 4.37Å; L189-Y240 HydrophobicContact CD1-CG 3.91Å; L189-Y240 HydrophobicContact CG-CD2 3.69Å; L189-Y240 HydrophobicContact CG-CE2 3.79Å; L189-Y240 HydrophobicContact CG-CG 4.16Å; L189-Y240 PolarHBondContact N-OH 3.37Å; L189-Y240 VanDerWaalsContact O-CE1 3.23Å; L189-Y240 WeakPolarHBondContact O-CE1 3.42Å; H228-Y240 VanDerWaalsContact O-CA 3.28Å; H228-Y240 WeakPolarHBondContact O-CA 3.33Å; H229-Y240 HydrophobicContact CB-CD1 3.82Å; H229-Y240 HydrophobicContact CB-CE1 3.67Å; H229-Y240 AromaticContact CD2-CE1 3.49Å; H229-Y240 VanDerWaalsContact CD2-CE1 3.49Å; H229-Y240 WeakPolarHBondContact CD2-CE1 3.39Å; H229-Y240 AromaticContact CD2-CZ 3.68Å; H229-Y240 AromaticContact CG-CE1 3.49Å; H229-Y240 VanDerWaalsContact CG-CE1 3.49Å; H229-Y240 AromaticContact NE2-CZ 3.93Å; N238-Y240 HydrophobicContact CB-CE2 3.65Å; Y240-I261 HydrophobicContact CD1-CD1 3.68Å; Y240-I261 HydrophobicContact CD1-CG1 4.32Å; Y240-I261 HydrophobicContact CD1-CG2 4.3Å; Y240-I261 HydrophobicContact CE1-CD1 4.21Å; Y240-I261 HydrophobicContact CE1-CG2 4.11Å; Y240-I261 HydrophobicContact CG-CD1 4.46Å; Y240-H289 AromaticContact CD2-CD2 3.49Å; Y240-H289 VanDerWaalsContact CD2-CD2 3.49Å; Y240-H289 WeakPolarHBondContact CD2-CD2 3.23Å; Y240-H289 AromaticContact CD2-NE2 3.48Å; Y240-H289 WeakPolarHBondContact CD2-NE2 2.95Å; Y240-H289 PolarHBondContact N-CE1 2.85Å; Y240-H289 VanDerWaalsContact N-CE1 3.35Å; Y240-H289 PolarHBondContact N-NE2 3.45Å; Y240-H289 PolarHBondContact O-CE1 2.03Å
241I91.9Very high90.2Very high3 Ų351 Ų512%0.01524%0.239CC..EExtended strand (participates in β ladder)trans-140.1136.2-167.6-174.3168.6000112.1V227 H228 I230 Y239 D243 L246 F247V227-I241 CarbonylContact C-O 3.46Å; V227-I241 WeakPolarHBondContact CA-O 3.35Å; H228-I241 HydrophobicContact CB-CG2 4.03Å; H228-I241 PolarHBondContact N-O 3.06Å; H228-I241 PolarHBondContact O-N 2.79Å; I230-I241 HydrophobicContact CD1-CG2 4.23Å; Y239-I241 HydrophobicContact CE1-CD1 4.06Å; Y239-I241 HydrophobicContact CE2-CB 4.34Å; I241-D243 HydrophobicContact CD1-CB 4.33Å; I241-D243 HydrophobicContact CG1-CB 4.19Å; I241-L246 HydrophobicContact CD1-CB 3.54Å; I241-L246 HydrophobicContact CD1-CD2 3.46Å; I241-L246 VanDerWaalsContact CD1-CD2 3.46Å; I241-L246 HydrophobicContact CD1-CG 3.28Å; I241-F247 HydrophobicContact CG2-CB 4.21Å; I241-F247 HydrophobicContact CG2-CD2 4.21Å
242A92.2Very high90Very high3 Ų354.8 Ų54.83%0.02526%0.264CS..  trans-105.6-10.2174.500000113.8K225 P226 V227 D244 F313K225-A242 HydrophobicContact CB-CB 4.33Å; K225-A242 WeakPolarHBondContact CD-O 3.49Å; P226-A242 WeakPolarHBondContact O-CA 3.42Å; V227-A242 HydrophobicContact CG2-CB 4.26Å; A242-D244 PolarHBondContact O-N 3.09Å; A242-F313 HydrophobicContact CB-CB 3.81Å; A242-F313 HydrophobicContact CB-CD1 4.48Å; A242-F313 HydrophobicContact CB-CG 4.48Å
243D83.9Confident89.9Confident40 Ų4060 Ų6021%0.21429%0.288CS..  trans-79.8116176.2-171.3-76.2000111.3I241 Y245 L246 F247I241-D243 HydrophobicContact CD1-CB 4.33Å; I241-D243 HydrophobicContact CG1-CB 4.19Å; D243-Y245 VanDerWaalsContact C-N 3.31Å; D243-Y245 PolarHBondContact O-N 3.31Å; D243-Y245 WeakPolarHBondContact OD1-CA 3.31Å; D243-Y245 WeakPolarHBondContact OD1-CB 3.43Å; D243-Y245 PolarHBondContact OD1-N 2.8Å; D243-L246 HydrophobicContact CB-CB 4.15Å; D243-L246 PolarHBondContact OD1-N 2.81Å; D243-F247 VanDerWaalsContact O-CB 3.28Å; D243-F247 WeakPolarHBondContact O-CB 3.39Å; D243-F247 PolarHBondContact O-N 3.17Å
244D84.8Confident89.9Confident73 Ų7358.9 Ų58.939%0.3929%0.289SS..Hα-helixtrans-65.3-31.3-176.9-73.5-28000113.3A242 K248A242-D244 PolarHBondContact O-N 3.09Å; D244-K248 VanDerWaalsContact O-CG 3.31Å; D244-K248 WeakPolarHBondContact O-CG 3.28Å; D244-K248 PolarHBondContact O-N 2.87Å
245Y78.3Confident90.2Very high119 Ų11954 Ų5447%0.46727%0.266SS..Hα-helixtrans-74.5-53-179.6174.4-102.6000110D51 D243 F247 K248 V249D51-Y245 PolarHBondContact OD1-OH 2.87Å; D243-Y245 VanDerWaalsContact C-N 3.31Å; D243-Y245 PolarHBondContact O-N 3.31Å; D243-Y245 WeakPolarHBondContact OD1-CA 3.31Å; D243-Y245 WeakPolarHBondContact OD1-CB 3.43Å; D243-Y245 PolarHBondContact OD1-N 2.8Å; Y245-F247 PolarHBondContact O-N 2.98Å; Y245-K248 WeakPolarHBondContact O-CA 3.44Å; Y245-K248 WeakPolarHBondContact O-CB 3.45Å; Y245-K248 PolarHBondContact O-N 3.01Å; Y245-V249 HydrophobicContact CD1-CG2 4.22Å; Y245-V249 HydrophobicContact CE1-CG2 3.77Å; Y245-V249 HydrophobicContact CE2-CG2 4.26Å; Y245-V249 PolarHBondContact O-N 2.94Å
246L80.3Confident90.5Very high49 Ų4954.9 Ų54.926%0.25728%0.275SS..Hα-helixtrans-64-32.6179.1179.163.6000110.9Y239 I241 D243 K248 V249 R250Y239-L246 WeakPolarHBondContact OH-CD2 3.44Å; I241-L246 HydrophobicContact CD1-CB 3.54Å; I241-L246 HydrophobicContact CD1-CD2 3.46Å; I241-L246 VanDerWaalsContact CD1-CD2 3.46Å; I241-L246 HydrophobicContact CD1-CG 3.28Å; D243-L246 HydrophobicContact CB-CB 4.15Å; D243-L246 PolarHBondContact OD1-N 2.81Å; L246-K248 PolarHBondContact O-N 3.07Å; L246-V249 PolarHBondContact O-N 3.28Å; L246-R250 HydrophobicContact CD1-CG 4.42Å; L246-R250 VanDerWaalsContact O-CG 3.29Å; L246-R250 WeakPolarHBondContact O-CG 3.12Å; L246-R250 PolarHBondContact O-N 3.19Å
247F88.4Confident90.8Very high30 Ų3051.8 Ų51.813%0.13227%0.265CS..Hα-helixtrans-56.2-49.1167.9172-99.8000112.3H228 I230 I241 D243 Y245 V249 R250 M251H228-F247 HydrophobicContact CB-CD2 3.58Å; H228-F247 HydrophobicContact CB-CE2 3.71Å; H228-F247 AromaticContact CG-CD2 3.6Å; H228-F247 AromaticContact CG-CE2 3.62Å; H228-F247 AromaticContact ND1-CE2 3.63Å; H228-F247 AromaticContact ND1-CZ 3.86Å; I230-F247 HydrophobicContact CG2-CD2 3.81Å; I230-F247 HydrophobicContact CG2-CE2 3.52Å; I241-F247 HydrophobicContact CG2-CB 4.21Å; I241-F247 HydrophobicContact CG2-CD2 4.21Å; D243-F247 VanDerWaalsContact O-CB 3.28Å; D243-F247 WeakPolarHBondContact O-CB 3.39Å; D243-F247 PolarHBondContact O-N 3.17Å; Y245-F247 PolarHBondContact O-N 2.98Å; F247-V249 PolarHBondContact O-N 3.37Å; F247-R250 PolarHBondContact O-N 3.07Å; F247-M251 HydrophobicContact CD1-CG 4.41Å; F247-M251 HydrophobicContact CD2-CE 4.36Å; F247-M251 HydrophobicContact CE1-CG 3.97Å; F247-M251 HydrophobicContact CE2-CE 4Å; F247-M251 HydrophobicContact CE2-CG 4.13Å; F247-M251 HydrophobicContact CE2-SD 4.02Å; F247-M251 HydrophobicContact CZ-CG 3.81Å; F247-M251 HydrophobicContact CZ-SD 3.96Å; F247-M251 WeakPolarHBondContact O-CG 3.42Å; F247-M251 PolarHBondContact O-N 3.25Å
248K89.1Confident91Very high130 Ų13057.4 Ų57.457%0.56529%0.289SS*.Hα-helixtrans-62.2-42178.1-71164.7-174.8167.40112.1D244 Y245 L246 M251 N252D244-K248 VanDerWaalsContact O-CG 3.31Å; D244-K248 WeakPolarHBondContact O-CG 3.28Å; D244-K248 PolarHBondContact O-N 2.87Å; Y245-K248 WeakPolarHBondContact O-CA 3.44Å; Y245-K248 WeakPolarHBondContact O-CB 3.45Å; Y245-K248 PolarHBondContact O-N 3.01Å; L246-K248 PolarHBondContact O-N 3.07Å; K248-M251 PolarHBondContact O-N 3.02Å; K248-N252 PolarHBondContact O-N 2.96Å; K248-N252 VanDerWaalsContact O-N 3.1Å; K248-N252 PolarHBondContact O-ND2 3.43Å
249V84.1Confident91.1Very high35 Ų3558 Ų5821%0.21230%0.3CS..Hα-helixtrans-58.5-501761740000110.3Y245 L246 F247 M251 N252 E253Y245-V249 HydrophobicContact CD1-CG2 4.22Å; Y245-V249 HydrophobicContact CE1-CG2 3.77Å; Y245-V249 HydrophobicContact CE2-CG2 4.26Å; Y245-V249 PolarHBondContact O-N 2.94Å; L246-V249 PolarHBondContact O-N 3.28Å; F247-V249 PolarHBondContact O-N 3.37Å; V249-M251 VanDerWaalsContact C-N 3.32Å; V249-M251 PolarHBondContact O-N 2.96Å; V249-N252 WeakPolarHBondContact O-CB 3.49Å; V249-N252 PolarHBondContact O-N 2.89Å; V249-N252 VanDerWaalsContact O-N 3.07Å; V249-E253 WeakPolarHBondContact O-CG 3.13Å; V249-E253 PolarHBondContact O-N 3.09Å
250R89.9Confident91.3Very high54 Ų5461.7 Ų61.720%0.20432%0.319CS..Hα-helixtrans-63.5-34.9179.2-62-58.1172.6-125.1-2.5112.9I230 Y239 L246 F247 N252 E253 G254 Y255I230-R250 HydrophobicContact CD1-CB 3.61Å; I230-R250 HydrophobicContact CD1-CG 4.1Å; Y239-R250 HydrophobicContact CD1-CG 4.27Å; Y239-R250 HydrophobicContact CE1-CG 4.06Å; L246-R250 HydrophobicContact CD1-CG 4.42Å; L246-R250 VanDerWaalsContact O-CG 3.29Å; L246-R250 WeakPolarHBondContact O-CG 3.12Å; L246-R250 PolarHBondContact O-N 3.19Å; F247-R250 PolarHBondContact O-N 3.07Å; R250-N252 VanDerWaalsContact C-N 3.33Å; R250-N252 PolarHBondContact O-N 2.86Å; R250-E253 WeakPolarHBondContact CD-OE2 3.36Å; R250-E253 IonicContact CZ-OE2 2.69Å; R250-E253 IonicContact NE-OE2 3.51Å; R250-E253 IonicContact NH1-OE1 3.45Å; R250-E253 PolarHBondContact NH1-OE1 2.75Å; R250-E253 IonicContact NH1-OE2 3.6Å; R250-E253 PolarHBondContact NH1-OE2 3.3Å; R250-E253 PolarHBondContact O-N 3.08Å; R250-G254 PolarHBondContact O-N 3.33Å; R250-Y255 HydrophobicContact CB-CD1 4.29Å; R250-Y255 HydrophobicContact CB-CD2 3.97Å; R250-Y255 HydrophobicContact CB-CE2 4.4Å; R250-Y255 HydrophobicContact CB-CG 3.93Å; R250-Y255 VanDerWaalsContact O-CB 3.27Å; R250-Y255 WeakPolarHBondContact O-CB 3.48Å; R250-Y255 VanDerWaalsContact O-CD2 3.28Å; R250-Y255 WeakPolarHBondContact O-CD2 3.32Å; R250-Y255 PolarHBondContact O-N 2.7Å; R250-Y255 VanDerWaalsContact O-N 3.08Å
251M95.9Very high91.3Very high49 Ų4962.6 Ų62.624%0.24132%0.323CS..Hα-helixtrans-62.4-40.7173-67.5-55.292.600111.9I230 F247 K248 V249 E253 G254 N257I230-M251 HydrophobicContact CB-CE 3.82Å; I230-M251 HydrophobicContact CD1-CE 3.83Å; I230-M251 HydrophobicContact CG1-CE 4.43Å; I230-M251 HydrophobicContact CG2-CE 3.52Å; F247-M251 HydrophobicContact CD1-CG 4.41Å; F247-M251 HydrophobicContact CD2-CE 4.36Å; F247-M251 HydrophobicContact CE1-CG 3.97Å; F247-M251 HydrophobicContact CE2-CE 4Å; F247-M251 HydrophobicContact CE2-CG 4.13Å; F247-M251 HydrophobicContact CE2-SD 4.02Å; F247-M251 HydrophobicContact CZ-CG 3.81Å; F247-M251 HydrophobicContact CZ-SD 3.96Å; F247-M251 WeakPolarHBondContact O-CG 3.42Å; F247-M251 PolarHBondContact O-N 3.25Å; K248-M251 PolarHBondContact O-N 3.02Å; V249-M251 VanDerWaalsContact C-N 3.32Å; V249-M251 PolarHBondContact O-N 2.96Å; M251-E253 VanDerWaalsContact C-N 3.28Å; M251-E253 PolarHBondContact O-N 3.33Å; M251-G254 PolarHBondContact O-N 3.26Å; M251-N257 HydrophobicContact SD-CB 3.89Å
252N92.3Very high91.5Very high147 Ų14762.6 Ų62.679%0.78632%0.324SS*.Hα-helixtrans-68-27.5176.4-68.2-25.2000112.7K248 V249 R250 G254K248-N252 PolarHBondContact O-N 2.96Å; K248-N252 VanDerWaalsContact O-N 3.1Å; K248-N252 PolarHBondContact O-ND2 3.43Å; V249-N252 WeakPolarHBondContact O-CB 3.49Å; V249-N252 PolarHBondContact O-N 2.89Å; V249-N252 VanDerWaalsContact O-N 3.07Å; R250-N252 VanDerWaalsContact C-N 3.33Å; R250-N252 PolarHBondContact O-N 2.86Å; N252-G254 PolarHBondContact O-N 3.22Å
253E91.6Very high91.7Very high112 Ų11264.9 Ų64.952%0.52333%0.332SS..THydrogen-bonded Turntrans-80.51.9174.8-68.1173.3174.400113.8V249 R250 M251 Y255V249-E253 WeakPolarHBondContact O-CG 3.13Å; V249-E253 PolarHBondContact O-N 3.09Å; R250-E253 WeakPolarHBondContact CD-OE2 3.36Å; R250-E253 IonicContact CZ-OE2 2.69Å; R250-E253 IonicContact NE-OE2 3.51Å; R250-E253 IonicContact NH1-OE1 3.45Å; R250-E253 PolarHBondContact NH1-OE1 2.75Å; R250-E253 IonicContact NH1-OE2 3.6Å; R250-E253 PolarHBondContact NH1-OE2 3.3Å; R250-E253 PolarHBondContact O-N 3.08Å; M251-E253 VanDerWaalsContact C-N 3.28Å; M251-E253 PolarHBondContact O-N 3.33Å; E253-Y255 HydrophobicContact CB-CD2 4.34Å
254G95.1Very high92.2Very high47 Ų4763 Ų6349%0.48532%0.322SS..THydrogen-bonded Turntrans91.716.6174.900000115.2R250 M251 N252R250-G254 PolarHBondContact O-N 3.33Å; M251-G254 PolarHBondContact O-N 3.26Å; N252-G254 PolarHBondContact O-N 3.22Å
255Y97Very high92.4Very high29 Ų2959.5 Ų59.511%0.11430%0.303CS..PPolyproline II helixtrans-67.1150.4167.9-75.9-122.7000110.7I230 Y231 S232 Y239 R250 E253I230-Y255 HydrophobicContact CB-CD1 4.5Å; I230-Y255 HydrophobicContact CD1-CD1 3.66Å; I230-Y255 HydrophobicContact CD1-CE1 4.36Å; I230-Y255 HydrophobicContact CD1-CG 4.18Å; I230-Y255 HydrophobicContact CG1-CD1 3.86Å; Y231-Y255 WeakPolarHBondContact O-CA 3.22Å; S232-Y255 VanDerWaalsContact CB-CE1 3.5Å; Y239-Y255 HydrophobicContact CD1-CE1 4.12Å; R250-Y255 HydrophobicContact CB-CD1 4.29Å; R250-Y255 HydrophobicContact CB-CD2 3.97Å; R250-Y255 HydrophobicContact CB-CE2 4.4Å; R250-Y255 HydrophobicContact CB-CG 3.93Å; R250-Y255 VanDerWaalsContact O-CB 3.27Å; R250-Y255 WeakPolarHBondContact O-CB 3.48Å; R250-Y255 VanDerWaalsContact O-CD2 3.28Å; R250-Y255 WeakPolarHBondContact O-CD2 3.32Å; R250-Y255 PolarHBondContact O-N 2.7Å; R250-Y255 VanDerWaalsContact O-N 3.08Å; E253-Y255 HydrophobicContact CB-CD2 4.34Å
256V97.8Very high92.6Very high62 Ų6256.6 Ų56.638%0.37629%0.294SS..EExtended strand (participates in β ladder)trans-102.6121.3-179.5-179.50000109.8I230 Y231 P233 K258I230-V256 CarbonylContact C-O 3.52Å; I230-V256 VanDerWaalsContact CA-O 3.3Å; I230-V256 WeakPolarHBondContact CA-O 3.3Å; Y231-V256 PolarHBondContact N-O 3.45Å; Y231-V256 PolarHBondContact O-N 2.85Å; P233-V256 HydrophobicContact CG-CG2 4.01Å; V256-K258 HydrophobicContact CG1-CD 4.43Å; V256-K258 PolarHBondContact O-N 3.44Å
257N97.9Very high92.4Very high80 Ų8055.2 Ų55.243%0.42829%0.291SS..EExtended strand (participates in β ladder)trans-68.5125.3173.6-170.6-4.2000111.3M251 G259M251-N257 HydrophobicContact SD-CB 3.89Å; N257-G259 PolarHBondContact OD1-N 2.8Å
258K97.1Very high92Very high120 Ų12056.3 Ų56.352%0.52230%0.3SS..EExtended strand (participates in β ladder)trans-107.5-4.2177.7-60.5-63.1-173.91770113.3H229 V256H229-K258 HydrophobicContact CB-CB 4.2Å; H229-K258 WeakPolarHBondContact ND1-CB 3.31Å; H229-K258 WeakPolarHBondContact O-CA 3.46Å; H229-K258 WeakPolarHBondContact O-CB 3.47Å; H229-K258 PolarHBondContact O-N 3.37Å; V256-K258 HydrophobicContact CG1-CD 4.43Å; V256-K258 PolarHBondContact O-N 3.44Å
259G96.7Very high91.3Very high30 Ų3053.9 Ų53.931%0.30929%0.291SS..EExtended strand (participates in β ladder)trans118.5-159.7175.100000113H228 H229 N257H228-G259 WeakPolarHBondContact CA-O 3.5Å; H229-G259 PolarHBondContact N-O 3.18Å; H229-G259 PolarHBondContact O-N 2.9Å; N257-G259 PolarHBondContact OD1-N 2.8Å
260I97Very high91.1Very high83 Ų8354 Ų5443%0.42629%0.294SS..EExtended strand (participates in β ladder)trans-117.3126.9-178.8-65167.4000108.1P226 V227 G262 Y263P226-I260 HydrophobicContact CB-CD1 3.79Å; P226-I260 HydrophobicContact CB-CG1 4.13Å; P226-I260 HydrophobicContact CB-CG2 4.02Å; V227-I260 WeakPolarHBondContact O-CA 3.3Å; I260-G262 WeakPolarHBondContact CG2-O 3.33Å; I260-Y263 HydrophobicContact CG2-CE2 4.28Å
261I96.3Very high90.8Very high20 Ų2051.5 Ų51.510%0.10328%0.284CS..EExtended strand (participates in β ladder)trans-86.9-22.4178.859.6161.9000112.6K175 L177 L189 I213 V227 H229 Y240K175-I261 VanDerWaalsContact CE-O 3.28Å; K175-I261 WeakPolarHBondContact CE-O 3.03Å; K175-I261 PolarHBondContact NZ-O 3.09Å; L177-I261 HydrophobicContact CD1-CD1 3.96Å; L189-I261 HydrophobicContact CB-CD1 4.16Å; I213-I261 HydrophobicContact CD1-CD1 4.44Å; I213-I261 HydrophobicContact CD1-CG1 4.37Å; V227-I261 HydrophobicContact CB-CD1 4.43Å; V227-I261 HydrophobicContact CB-CG1 3.91Å; V227-I261 HydrophobicContact CG1-CD1 3.89Å; V227-I261 HydrophobicContact CG1-CG1 3.8Å; V227-I261 PolarHBondContact O-N 3.31Å; H229-I261 HydrophobicContact CB-CG2 3.94Å; Y240-I261 HydrophobicContact CD1-CD1 3.68Å; Y240-I261 HydrophobicContact CD1-CG1 4.32Å; Y240-I261 HydrophobicContact CD1-CG2 4.3Å; Y240-I261 HydrophobicContact CE1-CD1 4.21Å; Y240-I261 HydrophobicContact CE1-CG2 4.11Å; Y240-I261 HydrophobicContact CG-CD1 4.46Å
262G96.1Very high90.3Very high2 Ų250.2 Ų50.22%0.02128%0.28CS..EExtended strand (participates in β ladder)trans168-164.5-179.600000110.8A214 V227 I260A214-G262 CarbonylContact O-C 3.29Å; A214-G262 VanDerWaalsContact O-CA 3.26Å; A214-G262 WeakPolarHBondContact O-CA 3.22Å; V227-G262 PolarHBondContact N-O 3.41Å; I260-G262 WeakPolarHBondContact CG2-O 3.33Å
263Y95.8Very high90Very high52 Ų5243.2 Ų43.220%0.20424%0.243CC..EExtended strand (participates in β ladder)trans-123.8135179.3-65.6-106.4000109.6I213 A214 G216 K225 P226 I260I213-Y263 WeakPolarHBondContact CG1-O 3.17Å; A214-Y263 WeakPolarHBondContact CB-O 3Å; A214-Y263 PolarHBondContact N-O 3.03Å; A214-Y263 PolarHBondContact O-N 3.42Å; G216-Y263 VanDerWaalsContact CA-CE2 3.49Å; K225-Y263 CarbonylContact O-C 3.5Å; K225-Y263 VanDerWaalsContact O-CA 3.25Å; K225-Y263 WeakPolarHBondContact O-CA 3.11Å; P226-Y263 HydrophobicContact CB-CD1 4.17Å; P226-Y263 HydrophobicContact CB-CE1 3.88Å; I260-Y263 HydrophobicContact CG2-CE2 4.28Å
264A94.6Very high89.8Confident0 Ų041.7 Ų41.70%024%0.241CC..EExtended strand (participates in β ladder)trans-134.8177.6-177.400000109.8I213 L224 K225 V227 F313 A314 I315I213-A264 HydrophobicContact CD1-CB 4.34Å; I213-A264 HydrophobicContact CG1-CB 4.4Å; L224-A264 WeakPolarHBondContact CA-O 3.46Å; K225-A264 PolarHBondContact N-O 3.34Å; K225-A264 PolarHBondContact O-N 3.41Å; V227-A264 HydrophobicContact CG2-CB 3.41Å; V227-A264 VanDerWaalsContact CG2-CB 3.41Å; A264-F313 HydrophobicContact CB-CB 3.88Å; A264-F313 HydrophobicContact CB-CD2 3.72Å; A264-F313 HydrophobicContact CB-CG 4.07Å; A264-A314 WeakPolarHBondContact CB-O 3.49Å; A264-I315 HydrophobicContact CB-CG2 4.36Å
265V89.4Confident89.5Confident0 Ų040.5 Ų40.50%022%0.223CC..BIsolated β-bridgetrans-107.5158.9172.5-65.70000109.4V223 L224 G267 C271 A273 F313 A314 W316V223-V265 HydrophobicContact CG2-CG1 4.05Å; L224-V265 HydrophobicContact CD2-CG1 4.18Å; V265-G267 VanDerWaalsContact C-N 3.33Å; V265-G267 VanDerWaalsContact CG2-O 3.26Å; V265-G267 WeakPolarHBondContact CG2-O 3.28Å; V265-G267 PolarHBondContact O-N 3.23Å; V265-C271 HydrophobicContact CG1-CB 4.2Å; V265-A273 HydrophobicContact CG2-CB 3.41Å; V265-A273 VanDerWaalsContact CG2-CB 3.41Å; V265-F313 CarbonylContact O-C 3.58Å; V265-F313 WeakPolarHBondContact O-CA 3.36Å; V265-F313 WeakPolarHBondContact O-CB 3.26Å; V265-A314 HydrophobicContact CG2-CB 4.07Å; V265-A314 WeakPolarHBondContact CG2-O 3.5Å; V265-A314 PolarHBondContact N-O 3.36Å; V265-A314 PolarHBondContact O-N 2.9Å; V265-W316 HydrophobicContact CG1-CH2 4.38Å; V265-W316 HydrophobicContact CG1-CZ2 4.24Å
266Q81.8Confident89.1Confident58 Ų5839.4 Ų39.427%0.27122%0.22SC..SBendtrans-64.1-36.9-175.7-172163.5-300112.8
267G77Confident88.8Confident19 Ų1936.5 Ų36.520%0.19620%0.202CC..SBendtrans-145.5168.3-17900000113.1V265 S270 A314V265-G267 VanDerWaalsContact C-N 3.33Å; V265-G267 VanDerWaalsContact CG2-O 3.26Å; V265-G267 WeakPolarHBondContact CG2-O 3.28Å; V265-G267 PolarHBondContact O-N 3.23Å; G267-S270 WeakPolarHBondContact O-CB 3.02Å; G267-A314 WeakPolarHBondContact O-CB 3.21Å
268V80.2Confident88.3Confident53 Ų5333.2 Ų33.232%0.32118%0.184SC..THydrogen-bonded Turntrans-59.1157.3178.7-69.70000111.5S270 A276 A314V268-S270 PolarHBondContact O-N 3.39Å; V268-A276 HydrophobicContact CG1-CB 3.88Å; V268-A314 HydrophobicContact CB-CB 4.44Å; V268-A314 HydrophobicContact CG1-CB 3.84Å; V268-A314 VanDerWaalsContact N-CB 3.35Å
269H74Confident87.8Confident79 Ų7927.8 Ų27.837%0.36616%0.161SC..THydrogen-bonded Turntrans69.9-18.9-178.9-46.6-59000116.2K163 C271 S272 A273K163-H269 WeakPolarHBondContact CE-O 3.18Å; H269-C271 PolarHBondContact O-N 3.02Å; H269-S272 PolarHBondContact O-N 3.2Å; H269-A273 WeakPolarHBondContact CA-O 3.02Å; H269-A273 PolarHBondContact N-O 2.61Å
270S79.3Confident87.4Confident39 Ų3926.3 Ų26.327%0.27315%0.146SC..G310 helixtrans-59.2125.5163.3-69.30000109.5G267 V268 S272 A273G267-S270 WeakPolarHBondContact O-CB 3.02Å; V268-S270 PolarHBondContact O-N 3.39Å; S270-S272 PolarHBondContact O-N 3.39Å; S270-A273 VanDerWaalsContact O-CB 3.3Å; S270-A273 WeakPolarHBondContact O-CB 3.38Å; S270-A273 PolarHBondContact O-N 3.25Å
271C84.6Confident86.8Confident0 Ų024.3 Ų24.30%013%0.134CC..G310 helixtrans4637.5-175.5-560000114.8F167 I169 T170 C221 V223 V265 H269 A273 W316F167-C271 HydrophobicContact CB-CB 4.32Å; F167-C271 CarbonylContact O-C 3.56Å; F167-C271 WeakPolarHBondContact O-CA 3.2Å; I169-C271 CarbonylContact O-C 3.49Å; I169-C271 VanDerWaalsContact O-C 3.31Å; I169-C271 VanDerWaalsContact O-CA 3.26Å; I169-C271 WeakPolarHBondContact O-CA 3.45Å; I169-C271 WeakPolarHBondContact O-CB 3.36Å; T170-C271 WeakPolarHBondContact CA-O 3.36Å; C221-C271 VanDerWaalsContact CA-SG 3.52Å; C221-C271 HydrophobicContact CB-CB 3.71Å; C221-C271 WeakPolarHBondContact CB-SG 3.1Å; C221-C271 WeakPolarHBondContact SG-CB 3.49Å; C221-C271 CovalentContact SG-SG 2Å; C221-C271 PolarHBondContact SG-SG 3.41Å; V223-C271 VanDerWaalsContact CG2-SG 3.53Å; V265-C271 HydrophobicContact CG1-CB 4.2Å; H269-C271 PolarHBondContact O-N 3.02Å; C271-A273 PolarHBondContact O-N 2.03Å; C271-W316 HydrophobicContact CB-CZ2 4.25Å; C271-W316 PolarHBondContact O-NE1 3.09Å
272S84Confident86.4Confident23 Ų2327 Ų2716%0.16114%0.143CC..G310 helixtrans62.118.7-177.2-49.30000115.4K163 F167 H269 S270K163-S272 VanDerWaalsContact NZ-CA 3.32Å; K163-S272 PolarHBondContact NZ-OG 3.18Å; F167-S272 PolarHBondContact O-N 2.74Å; H269-S272 PolarHBondContact O-N 3.2Å; S270-S272 PolarHBondContact O-N 3.39Å
273A87.5Confident85.8Confident0 Ų035.1 Ų35.10%017%0.174CC..  trans-61.5143.6166.500000109.8V265 H269 S270 C271 A314 I315 W316V265-A273 HydrophobicContact CG2-CB 3.41Å; V265-A273 VanDerWaalsContact CG2-CB 3.41Å; H269-A273 WeakPolarHBondContact CA-O 3.02Å; H269-A273 PolarHBondContact N-O 2.61Å; S270-A273 VanDerWaalsContact O-CB 3.3Å; S270-A273 WeakPolarHBondContact O-CB 3.38Å; S270-A273 PolarHBondContact O-N 3.25Å; C271-A273 PolarHBondContact O-N 2.03Å; A273-A314 HydrophobicContact CB-CB 4.03Å; A273-I315 WeakPolarHBondContact CA-O 3.4Å; A273-W316 HydrophobicContact CB-CZ2 4.46Å
274T86Confident85.3Confident79 Ų7937.6 Ų37.649%0.48520%0.195SC..  trans-132.3-11.7-173.754.10000113.6I315T274-I315 PolarHBondContact N-O 3.49Å
275I89.1Confident85Confident23 Ų2338.2 Ų38.212%0.11820%0.198CC..EExtended strand (participates in β ladder)trans-115.7111.1-175.2-57.1176.6000108I210 I277 Q291 A314 I315 N317I210-I275 WeakPolarHBondContact O-CD1 3.16Å; I275-I277 HydrophobicContact CG2-CD1 4.38Å; I275-Q291 HydrophobicContact CG2-CB 4.06Å; I275-A314 CarbonylContact O-C 3.52Å; I275-A314 VanDerWaalsContact O-CA 3.23Å; I275-A314 WeakPolarHBondContact O-CA 3.44Å; I275-I315 HydrophobicContact CB-CD1 4.49Å; I275-I315 HydrophobicContact CB-CG1 3.7Å; I275-I315 HydrophobicContact CG2-CD1 4.25Å; I275-I315 HydrophobicContact CG2-CG1 3.92Å; I275-I315 PolarHBondContact N-O 2.8Å; I275-I315 PolarHBondContact O-N 2.68Å; I275-N317 HydrophobicContact CD1-CB 4.23Å
276A88.3Confident85Confident5 Ų538.2 Ų38.24%0.04120%0.198CC..EExtended strand (participates in β ladder)trans-76.2138.9170.600000110.4V268 Y278 Q291 N292 V311V268-A276 HydrophobicContact CG1-CB 3.88Å; A276-Y278 HydrophobicContact CB-CE1 3.97Å; A276-Y278 HydrophobicContact CB-CE2 4.14Å; A276-Q291 WeakPolarHBondContact O-CA 3.49Å; A276-N292 PolarHBondContact O-N 3.08Å; A276-V311 HydrophobicContact CB-CG1 4.08Å; A276-V311 HydrophobicContact CB-CG2 4.24Å
277I91.8Very high85.3Confident1 Ų135.9 Ų35.91%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-102.6118.2164.7-56.3-51.5000107.5L189 I210 I275 H289 Q291 V311 S312 F313 I315L189-I277 HydrophobicContact CD1-CG2 4.48Å; I210-I277 HydrophobicContact CD1-CD1 3.87Å; I275-I277 HydrophobicContact CG2-CD1 4.38Å; I277-H289 HydrophobicContact CG2-CB 3.86Å; I277-Q291 HydrophobicContact CD1-CB 3.63Å; I277-V311 CarbonylContact O-C 3.45Å; I277-V311 WeakPolarHBondContact O-CA 3.5Å; I277-S312 PolarHBondContact O-N 3.39Å; I277-F313 HydrophobicContact CB-CD2 4.29Å; I277-F313 HydrophobicContact CB-CE1 4.45Å; I277-F313 HydrophobicContact CB-CE2 4.04Å; I277-F313 HydrophobicContact CB-CZ 4.11Å; I277-F313 HydrophobicContact CG1-CD2 3.97Å; I277-F313 HydrophobicContact CG1-CE2 3.52Å; I277-F313 HydrophobicContact CG1-CZ 3.95Å; I277-F313 HydrophobicContact CG2-CE1 4.32Å; I277-F313 HydrophobicContact CG2-CE2 4.48Å; I277-F313 HydrophobicContact CG2-CZ 4.07Å; I277-F313 PolarHBondContact N-O 3.03Å; I277-I315 HydrophobicContact CD1-CD1 3.88Å; I277-I315 HydrophobicContact CD1-CG1 4.4Å; I277-I315 HydrophobicContact CG1-CD1 4.27Å; I277-I315 HydrophobicContact CG1-CG2 4.49Å
278Y87.7Confident86Confident11 Ų1135 Ų354%0.04318%0.178CC..EExtended strand (participates in β ladder)trans-96.3142.7-177.6-60.3-70.6000111.3M1 A276 H289 I290 N292 V296 F308 G310 V311M1-Y278 PolarHBondContact N-OH 3.4Å; A276-Y278 HydrophobicContact CB-CE1 3.97Å; A276-Y278 HydrophobicContact CB-CE2 4.14Å; Y278-H289 WeakPolarHBondContact O-CA 3.39Å; Y278-I290 WeakPolarHBondContact CD2-O 3.01Å; Y278-I290 PolarHBondContact N-O 2.93Å; Y278-I290 PolarHBondContact O-N 2.98Å; Y278-N292 HydrophobicContact CE2-CB 3.79Å; Y278-V296 HydrophobicContact CD2-CG2 3.54Å; Y278-V296 HydrophobicContact CE2-CG2 3.92Å; Y278-V296 HydrophobicContact CG-CG2 4.27Å; Y278-F308 AromaticContact CD1-CE2 3.56Å; Y278-F308 HydrophobicContact CD1-CE2 3.56Å; Y278-F308 AromaticContact CD1-CZ 3.95Å; Y278-F308 HydrophobicContact CD1-CZ 3.95Å; Y278-F308 HydrophobicContact CE1-CE2 4.35Å; Y278-F308 HydrophobicContact CE1-CZ 4.46Å; Y278-F308 HydrophobicContact CG-CE2 4.08Å; Y278-G310 WeakPolarHBondContact CA-O 3.36Å; Y278-V311 HydrophobicContact CD1-CG2 3.72Å; Y278-V311 HydrophobicContact CE1-CG2 3.66Å
279D87.6Confident86.5Confident6 Ų632.5 Ų32.53%0.03216%0.163CC..EExtended strand (participates in β ladder)trans-92.9133.2170-80.9-30.1000111.1Y239 I287 H289 H309 G310 S312Y239-D279 WeakPolarHBondContact CE2-OD2 3.48Å; Y239-D279 PolarHBondContact OH-OD2 2.97Å; D279-I287 HydrophobicContact CB-CG2 4.27Å; D279-I287 VanDerWaalsContact OD1-CG2 3.29Å; D279-I287 WeakPolarHBondContact OD1-CG2 3.31Å; D279-H289 IonicContact OD1-CE1 2.87Å; D279-H289 PolarHBondContact OD1-CE1 2.89Å; D279-H289 IonicContact OD1-CG 3.79Å; D279-H289 IonicContact OD1-ND1 2.86Å; D279-H289 PolarHBondContact OD1-ND1 3.3Å; D279-H289 IonicContact OD1-NE2 3.92Å; D279-H309 HydrophobicContact CB-CB 3.67Å; D279-H309 PolarHBondContact O-N 3.17Å; D279-G310 PolarHBondContact N-O 3.26Å; D279-S312 PolarHBondContact OD1-OG 3.37Å; D279-S312 PolarHBondContact OD2-OG 3.4Å
280F87.4Confident87.3Confident0 Ų028.7 Ų28.70%015%0.146CC..EExtended strand (participates in β ladder)trans-127.4134.8169.7-69.3-84.9000109.8I287 T288 I290 V296 Y299 M300 Y306 L307 F308F280-I287 CarbonylContact O-C 3.19Å; F280-I287 WeakPolarHBondContact O-CA 3.5Å; F280-T288 PolarHBondContact N-O 3.4Å; F280-T288 PolarHBondContact O-N 2.94Å; F280-I290 HydrophobicContact CD2-CB 4.17Å; F280-I290 HydrophobicContact CD2-CG1 3.73Å; F280-I290 HydrophobicContact CE2-CB 3.98Å; F280-I290 HydrophobicContact CE2-CG1 3.96Å; F280-V296 HydrophobicContact CE2-CG2 3.85Å; F280-V296 HydrophobicContact CZ-CG2 3.77Å; F280-Y299 HydrophobicContact CB-CD1 4.07Å; F280-Y299 HydrophobicContact CD2-CD1 4.28Å; F280-Y299 HydrophobicContact CD2-CG 4.24Å; F280-Y299 HydrophobicContact CE2-CG 4.45Å; F280-Y299 HydrophobicContact CG-CD1 4.05Å; F280-Y299 HydrophobicContact CG-CG 4.26Å; F280-M300 HydrophobicContact CE1-CE 4.38Å; F280-M300 HydrophobicContact CE1-CG 4.08Å; F280-M300 HydrophobicContact CE1-SD 3.89Å; F280-M300 HydrophobicContact CZ-CE 3.85Å; F280-M300 HydrophobicContact CZ-CG 3.91Å; F280-M300 HydrophobicContact CZ-SD 3.9Å; F280-Y306 HydrophobicContact CB-CD1 3.95Å; F280-Y306 HydrophobicContact CB-CG 4.26Å; F280-L307 CarbonylContact C-O 3.55Å; F280-L307 VanDerWaalsContact CA-O 3.3Å; F280-L307 WeakPolarHBondContact CA-O 3.43Å; F280-F308 HydrophobicContact CD1-CB 4.3Å; F280-F308 HydrophobicContact CD1-CD2 4.33Å; F280-F308 HydrophobicContact CE1-CB 4.04Å; F280-F308 AromaticContact CE1-CD2 3.74Å; F280-F308 HydrophobicContact CE1-CD2 3.74Å; F280-F308 HydrophobicContact CE1-CG 4.39Å; F280-F308 HydrophobicContact CE2-CD2 4.49Å; F280-F308 AromaticContact CZ-CD2 3.85Å; F280-F308 HydrophobicContact CZ-CD2 3.85Å
281F84.9Confident87.7Confident40 Ų4028 Ų2818%0.17514%0.138CC..EExtended strand (participates in β ladder)trans-115.2138.3-179.9179.3-106.8000112F235 G286 I287 Y306 L307 H309F235-F281 HydrophobicContact CE1-CE2 4.07Å; F235-F281 HydrophobicContact CE1-CZ 4.08Å; F235-F281 HydrophobicContact CE2-CE2 4.07Å; F235-F281 AromaticContact CZ-CE2 3.75Å; F235-F281 HydrophobicContact CZ-CE2 3.75Å; F235-F281 AromaticContact CZ-CZ 3.81Å; F235-F281 HydrophobicContact CZ-CZ 3.81Å; F281-G286 WeakPolarHBondContact CA-O 3.45Å; F281-G286 WeakPolarHBondContact CD2-O 3.37Å; F281-I287 HydrophobicContact CB-CD1 3.79Å; F281-I287 HydrophobicContact CD2-CD1 3.76Å; F281-I287 HydrophobicContact CD2-CG1 4.29Å; F281-I287 HydrophobicContact CG-CD1 4.2Å; F281-Y306 CarbonylContact O-C 3.53Å; F281-Y306 VanDerWaalsContact O-CA 3.3Å; F281-Y306 WeakPolarHBondContact O-CA 3.29Å; F281-L307 HydrophobicContact CD1-CD1 4.47Å; F281-L307 PolarHBondContact N-O 3Å; F281-L307 PolarHBondContact O-N 3.32Å; F281-H309 WeakPolarHBondContact CB-CE1 3.49Å; F281-H309 WeakPolarHBondContact CB-NE2 3.43Å; F281-H309 AromaticContact CD1-NE2 3.94Å; F281-H309 AromaticContact CG-CE1 3.7Å; F281-H309 AromaticContact CG-NE2 3.8Å
282R86.9Confident87.4Confident76 Ų7630.9 Ų30.929%0.28715%0.153SC..EExtended strand (participates in β ladder)trans-141.4135.8164.6-177.7170.170.9-170.41.3109.1T284 D285 G286 S304 G305 Y306R282-T284 PolarHBondContact NE-OG1 3.17Å; R282-T284 PolarHBondContact O-N 3.41Å; R282-D285 HydrophobicContact CB-CB 4.23Å; R282-D285 IonicContact CZ-OD1 3.81Å; R282-D285 IonicContact CZ-OD2 3.49Å; R282-D285 IonicContact NE-OD1 3.77Å; R282-D285 PolarHBondContact NE-OD1 3.33Å; R282-D285 IonicContact NE-OD2 3.03Å; R282-D285 IonicContact NH2-OD1 2.9Å; R282-D285 PolarHBondContact NH2-OD1 3.44Å; R282-D285 VanDerWaalsContact NH2-OD1 3.1Å; R282-D285 IonicContact NH2-OD2 3.1Å; R282-D285 PolarHBondContact NH2-OD2 3.34Å; R282-D285 CarbonylContact O-C 3.6Å; R282-D285 PolarHBondContact O-N 2.83Å; R282-G286 PolarHBondContact N-O 3.45Å; R282-G286 PolarHBondContact O-N 3.39Å; R282-S304 PolarHBondContact NH1-O 3.05Å; R282-G305 WeakPolarHBondContact CD-O 3.23Å; R282-G305 WeakPolarHBondContact CG-O 3.33Å; R282-Y306 HydrophobicContact CB-CD1 3.51Å; R282-Y306 HydrophobicContact CB-CE1 3.63Å; R282-Y306 HydrophobicContact CB-CG 4.08Å; R282-Y306 PolarHBondContact NH2-OH 3.39Å
283Y83.7Confident87.2Confident173 Ų17331.4 Ų31.468%0.67816%0.157SC*.THydrogen-bonded Turntrans-55.4-33.3-173-173.5-95.9000114.1F235 D285F235-Y283 WeakPolarHBondContact CD1-O 3.14Å; F235-Y283 HydrophobicContact CE1-CD2 4.41Å; F235-Y283 WeakPolarHBondContact CE1-O 3.46Å; Y283-D285 VanDerWaalsContact C-N 3.3Å; Y283-D285 PolarHBondContact O-N 3.07Å
284T86.5Confident86.6Confident105 Ų10537.7 Ų37.764%0.64420%0.196SC*.THydrogen-bonded Turntrans-76.8-15.3178.251.90000114.2R282R282-T284 PolarHBondContact NE-OG1 3.17Å; R282-T284 PolarHBondContact O-N 3.41Å
285D87.9Confident86.4Confident13 Ų1336.5 Ų36.57%0.0719%0.185CC..THydrogen-bonded Turntrans-122.6-26.8-166.2-69.345.1000112.5A185 S237 R282 Y283 Y306A185-D285 HydrophobicContact CB-CB 3.46Å; A185-D285 VanDerWaalsContact CB-CB 3.46Å; A185-D285 WeakPolarHBondContact CB-OD2 3.08Å; S237-D285 VanDerWaalsContact CB-O 3.32Å; S237-D285 WeakPolarHBondContact CB-O 3.31Å; S237-D285 PolarHBondContact OG-O 2.64Å; S237-D285 VanDerWaalsContact OG-O 3.13Å; R282-D285 HydrophobicContact CB-CB 4.23Å; R282-D285 IonicContact CZ-OD1 3.81Å; R282-D285 IonicContact CZ-OD2 3.49Å; R282-D285 IonicContact NE-OD1 3.77Å; R282-D285 PolarHBondContact NE-OD1 3.33Å; R282-D285 IonicContact NE-OD2 3.03Å; R282-D285 IonicContact NH2-OD1 2.9Å; R282-D285 PolarHBondContact NH2-OD1 3.44Å; R282-D285 VanDerWaalsContact NH2-OD1 3.1Å; R282-D285 IonicContact NH2-OD2 3.1Å; R282-D285 PolarHBondContact NH2-OD2 3.34Å; R282-D285 CarbonylContact O-C 3.6Å; R282-D285 PolarHBondContact O-N 2.83Å; Y283-D285 VanDerWaalsContact C-N 3.3Å; Y283-D285 PolarHBondContact O-N 3.07Å; D285-Y306 HydrophobicContact CB-CE1 4.26Å; D285-Y306 PolarHBondContact OD2-OH 3.36Å
286G88.1Confident85.9Confident0 Ų035.6 Ų35.60%018%0.18CC..EExtended strand (participates in β ladder)trans76.1-144.8-165.100000111.8F281 R282F281-G286 WeakPolarHBondContact CA-O 3.45Å; F281-G286 WeakPolarHBondContact CD2-O 3.37Å; R282-G286 PolarHBondContact N-O 3.45Å; R282-G286 PolarHBondContact O-N 3.39Å
287I90Very high85.2Confident8 Ų840.3 Ų40.34%0.04120%0.201CC..EExtended strand (participates in β ladder)trans-88.8136.4-179.2-59.7-70.1000110.6Y239 D279 F280 F281Y239-I287 HydrophobicContact CD1-CG1 4.48Å; Y239-I287 HydrophobicContact CD2-CB 4.04Å; Y239-I287 HydrophobicContact CD2-CG1 4.27Å; Y239-I287 HydrophobicContact CD2-CG2 3.59Å; Y239-I287 HydrophobicContact CE2-CB 4.45Å; Y239-I287 HydrophobicContact CE2-CG1 4.4Å; Y239-I287 HydrophobicContact CE2-CG2 3.76Å; Y239-I287 HydrophobicContact CG-CB 4.33Å; Y239-I287 HydrophobicContact CG-CG1 4.35Å; Y239-I287 HydrophobicContact CG-CG2 4.37Å; D279-I287 HydrophobicContact CB-CG2 4.27Å; D279-I287 VanDerWaalsContact OD1-CG2 3.29Å; D279-I287 WeakPolarHBondContact OD1-CG2 3.31Å; F280-I287 CarbonylContact O-C 3.19Å; F280-I287 WeakPolarHBondContact O-CA 3.5Å; F281-I287 HydrophobicContact CB-CD1 3.79Å; F281-I287 HydrophobicContact CD2-CD1 3.76Å; F281-I287 HydrophobicContact CD2-CG1 4.29Å; F281-I287 HydrophobicContact CG-CD1 4.2Å
288T90.9Very high84.6Confident0 Ų045.8 Ų45.80%023%0.23CC..EExtended strand (participates in β ladder)trans-124.1133.5174.1-630000109.7S184 F280 I290 Y299S184-T288 WeakPolarHBondContact O-CG2 3.5Å; S184-T288 PolarHBondContact O-OG1 2.86Å; F280-T288 PolarHBondContact N-O 3.4Å; F280-T288 PolarHBondContact O-N 2.94Å; T288-I290 HydrophobicContact CG2-CD1 3.75Å; T288-I290 HydrophobicContact CG2-CG1 4.3Å; T288-Y299 HydrophobicContact CG2-CE1 3.88Å
289H91.3Very high84.3Confident1 Ų146.1 Ų46.11%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-100.9125.3-179.7-59.9-81.7000112.5R179 L189 Y239 Y240 I277 Y278 D279 S312R179-H289 PolarHBondContact NH1-O 2.82Å; L189-H289 HydrophobicContact CD1-CB 4.07Å; Y239-H289 AromaticContact CD2-CE1 3.45Å; Y239-H289 VanDerWaalsContact CD2-CE1 3.45Å; Y239-H289 WeakPolarHBondContact CD2-CE1 3.31Å; Y239-H289 AromaticContact CD2-NE2 3.51Å; Y239-H289 AromaticContact CE2-CE1 3.72Å; Y240-H289 AromaticContact CD2-CD2 3.49Å; Y240-H289 VanDerWaalsContact CD2-CD2 3.49Å; Y240-H289 WeakPolarHBondContact CD2-CD2 3.23Å; Y240-H289 AromaticContact CD2-NE2 3.48Å; Y240-H289 WeakPolarHBondContact CD2-NE2 2.95Å; Y240-H289 PolarHBondContact N-CE1 2.85Å; Y240-H289 VanDerWaalsContact N-CE1 3.35Å; Y240-H289 PolarHBondContact N-NE2 3.45Å; Y240-H289 PolarHBondContact O-CE1 2.03Å; I277-H289 HydrophobicContact CG2-CB 3.86Å; Y278-H289 WeakPolarHBondContact O-CA 3.39Å; D279-H289 IonicContact OD1-CE1 2.87Å; D279-H289 PolarHBondContact OD1-CE1 2.89Å; D279-H289 IonicContact OD1-CG 3.79Å; D279-H289 IonicContact OD1-ND1 2.86Å; D279-H289 PolarHBondContact OD1-ND1 3.3Å; D279-H289 IonicContact OD1-NE2 3.92Å; H289-S312 PolarHBondContact ND1-OG 3.3Å
290I90.5Very high83.6Confident0 Ų046.6 Ų46.60%023%0.234CC..EExtended strand (participates in β ladder)trans-125.8126.6179.9-49.3-63.9000109.5Y278 F280 T288 E295 V296 Y299Y278-I290 WeakPolarHBondContact CD2-O 3.01Å; Y278-I290 PolarHBondContact N-O 2.93Å; Y278-I290 PolarHBondContact O-N 2.98Å; F280-I290 HydrophobicContact CD2-CB 4.17Å; F280-I290 HydrophobicContact CD2-CG1 3.73Å; F280-I290 HydrophobicContact CE2-CB 3.98Å; F280-I290 HydrophobicContact CE2-CG1 3.96Å; T288-I290 HydrophobicContact CG2-CD1 3.75Å; T288-I290 HydrophobicContact CG2-CG1 4.3Å; I290-E295 HydrophobicContact CG2-CB 4.4Å; I290-E295 HydrophobicContact CG2-CG 4.46Å; I290-V296 HydrophobicContact CG2-CB 4.08Å; I290-V296 HydrophobicContact CG2-CG2 4.22Å; I290-Y299 HydrophobicContact CD1-CD1 4.41Å; I290-Y299 HydrophobicContact CD1-CD2 3.89Å; I290-Y299 HydrophobicContact CD1-CE1 4Å; I290-Y299 HydrophobicContact CD1-CE2 3.42Å; I290-Y299 VanDerWaalsContact CD1-CE2 3.42Å; I290-Y299 HydrophobicContact CD1-CG 4.36Å; I290-Y299 VanDerWaalsContact CD1-CZ 3.48Å; I290-Y299 HydrophobicContact CG1-CD1 4.18Å; I290-Y299 HydrophobicContact CG1-CD2 3.83Å; I290-Y299 HydrophobicContact CG1-CE1 4.26Å; I290-Y299 HydrophobicContact CG1-CE2 3.92Å; I290-Y299 HydrophobicContact CG1-CG 3.97Å
291Q88.2Confident82.9Confident24 Ų2448.8 Ų48.811%0.11225%0.249CC..EExtended strand (participates in β ladder)trans-74.1154.1171.982-76.117.800111R179 I210 I275 A276 I277 S293R179-Q291 VanDerWaalsContact NE-OE1 3.16Å; I210-Q291 HydrophobicContact CB-CB 4.29Å; I210-Q291 HydrophobicContact CB-CG 4.1Å; I210-Q291 HydrophobicContact CD1-CB 4.48Å; I210-Q291 HydrophobicContact CG2-CG 4.28Å; I275-Q291 HydrophobicContact CG2-CB 4.06Å; A276-Q291 WeakPolarHBondContact O-CA 3.49Å; I277-Q291 HydrophobicContact CD1-CB 3.63Å; Q291-S293 WeakPolarHBondContact O-CB 3.38Å; Q291-S293 PolarHBondContact O-N 3.27Å; Q291-S293 PolarHBondContact O-OG 3.06Å
292N78.1Confident82.1Confident60 Ų6052.1 Ų52.132%0.32126%0.261SS..SBendtrans-55.7101172.9-163.829000111.3E3 A276 Y278E3-N292 PolarHBondContact OE1-ND2 2.78Å; A276-N292 PolarHBondContact O-N 3.08Å; Y278-N292 HydrophobicContact CE2-CB 3.79Å
293S78.8Confident81.5Confident34 Ų3456.1 Ų56.124%0.23828%0.281CS..SBendtrans-159.4169.3-172.462.80000109.3Q291 E295 V296Q291-S293 WeakPolarHBondContact O-CB 3.38Å; Q291-S293 PolarHBondContact O-N 3.27Å; Q291-S293 PolarHBondContact O-OG 3.06Å; S293-E295 PolarHBondContact O-N 2.96Å; S293-V296 WeakPolarHBondContact O-CB 3.2Å; S293-V296 WeakPolarHBondContact O-CG1 3.47Å; S293-V296 PolarHBondContact O-N 2.93Å
294T75.4Confident81.2Confident133 Ų13349 Ų4982%0.81626%0.257SS*.THydrogen-bonded Turntrans-58.1-23177.151.50000113.5V296T294-V296 VanDerWaalsContact C-N 3.31Å; T294-V296 PolarHBondContact O-N 3.25Å
295E81Confident81Confident54 Ų5446.1 Ų46.125%0.25225%0.248SC..THydrogen-bonded Turntrans-65.6-32.5174.5-170.6-172.2-173.600112.4R179 I290 S293 Q297 N298 Y299R179-E295 IonicContact CZ-OE2 3.92Å; R179-E295 IonicContact NH1-OE1 3.18Å; R179-E295 IonicContact NH1-OE2 2.74Å; R179-E295 PolarHBondContact NH1-OE2 2.91Å; R179-E295 IonicContact NH2-OE2 2.94Å; R179-E295 PolarHBondContact NH2-OE2 3.35Å; I290-E295 HydrophobicContact CG2-CB 4.4Å; I290-E295 HydrophobicContact CG2-CG 4.46Å; S293-E295 PolarHBondContact O-N 2.96Å; E295-Q297 PolarHBondContact O-N 3.17Å; E295-Q297 VanDerWaalsContact O-N 3.15Å; E295-N298 WeakPolarHBondContact O-CB 3.03Å; E295-N298 PolarHBondContact O-N 3.39Å; E295-Y299 HydrophobicContact CG-CD2 4.19Å; E295-Y299 HydrophobicContact CG-CE2 3.82Å; E295-Y299 WeakPolarHBondContact OE1-CE2 3.41Å
296V78.6Confident80.9Confident3 Ų346.1 Ų46.12%0.01825%0.247CC..Hα-helixtrans-57.8-35.2-176.183.50000111.8Y278 F280 I290 S293 T294 N298 Y299 M300Y278-V296 HydrophobicContact CD2-CG2 3.54Å; Y278-V296 HydrophobicContact CE2-CG2 3.92Å; Y278-V296 HydrophobicContact CG-CG2 4.27Å; F280-V296 HydrophobicContact CE2-CG2 3.85Å; F280-V296 HydrophobicContact CZ-CG2 3.77Å; I290-V296 HydrophobicContact CG2-CB 4.08Å; I290-V296 HydrophobicContact CG2-CG2 4.22Å; S293-V296 WeakPolarHBondContact O-CB 3.2Å; S293-V296 WeakPolarHBondContact O-CG1 3.47Å; S293-V296 PolarHBondContact O-N 2.93Å; T294-V296 VanDerWaalsContact C-N 3.31Å; T294-V296 PolarHBondContact O-N 3.25Å; V296-N298 PolarHBondContact O-N 3.08Å; V296-Y299 PolarHBondContact O-N 3Å; V296-M300 HydrophobicContact CG2-CE 4.14Å; V296-M300 HydrophobicContact CG2-CG 4.34Å; V296-M300 VanDerWaalsContact O-CG 3.27Å; V296-M300 WeakPolarHBondContact O-CG 3.34Å; V296-M300 PolarHBondContact O-N 3.17Å
297Q74.3Confident80.4Confident105 Ų10550.4 Ų50.449%0.49127%0.269SS..Hα-helixtrans-62.6-31179.2-61.7-60.2-29.900112.1E295 Y299 S301E295-Q297 PolarHBondContact O-N 3.17Å; E295-Q297 VanDerWaalsContact O-N 3.15Å; Q297-Y299 VanDerWaalsContact C-N 3.34Å; Q297-S301 PolarHBondContact O-N 3.18Å
298N79Confident79.9Confident115 Ų11550.3 Ų50.362%0.61527%0.269SS*.Hα-helixtrans-70.9-31.6176.4-64.7-33.4000112E295 V296 S304E295-N298 WeakPolarHBondContact O-CB 3.03Å; E295-N298 PolarHBondContact O-N 3.39Å; V296-N298 PolarHBondContact O-N 3.08Å; N298-S304 WeakPolarHBondContact O-CB 3.02Å
299Y80.8Confident79.2Confident19 Ų1954.4 Ų54.48%0.07529%0.288CS..Hα-helixtrans-81.7-36.6177-74.9-99.9000111.9F280 T288 I290 E295 V296 Q297 S301 S304 Y306F280-Y299 HydrophobicContact CB-CD1 4.07Å; F280-Y299 HydrophobicContact CD2-CD1 4.28Å; F280-Y299 HydrophobicContact CD2-CG 4.24Å; F280-Y299 HydrophobicContact CE2-CG 4.45Å; F280-Y299 HydrophobicContact CG-CD1 4.05Å; F280-Y299 HydrophobicContact CG-CG 4.26Å; T288-Y299 HydrophobicContact CG2-CE1 3.88Å; I290-Y299 HydrophobicContact CD1-CD1 4.41Å; I290-Y299 HydrophobicContact CD1-CD2 3.89Å; I290-Y299 HydrophobicContact CD1-CE1 4Å; I290-Y299 HydrophobicContact CD1-CE2 3.42Å; I290-Y299 VanDerWaalsContact CD1-CE2 3.42Å; I290-Y299 HydrophobicContact CD1-CG 4.36Å; I290-Y299 VanDerWaalsContact CD1-CZ 3.48Å; I290-Y299 HydrophobicContact CG1-CD1 4.18Å; I290-Y299 HydrophobicContact CG1-CD2 3.83Å; I290-Y299 HydrophobicContact CG1-CE1 4.26Å; I290-Y299 HydrophobicContact CG1-CE2 3.92Å; I290-Y299 HydrophobicContact CG1-CG 3.97Å; E295-Y299 HydrophobicContact CG-CD2 4.19Å; E295-Y299 HydrophobicContact CG-CE2 3.82Å; E295-Y299 WeakPolarHBondContact OE1-CE2 3.41Å; V296-Y299 PolarHBondContact O-N 3Å; Q297-Y299 VanDerWaalsContact C-N 3.34Å; Y299-S301 PolarHBondContact O-N 3.33Å; Y299-S304 PolarHBondContact O-OG 2.72Å; Y299-Y306 HydrophobicContact CD1-CD1 4.21Å; Y299-Y306 AromaticContact CD1-CD2 3.62Å; Y299-Y306 HydrophobicContact CD1-CD2 3.62Å; Y299-Y306 HydrophobicContact CD1-CE1 4.39Å; Y299-Y306 AromaticContact CD1-CE2 3.79Å; Y299-Y306 HydrophobicContact CD1-CE2 3.79Å; Y299-Y306 AromaticContact CD1-CG 3.84Å; Y299-Y306 HydrophobicContact CD1-CG 3.84Å; Y299-Y306 HydrophobicContact CE1-CD1 4.42Å; Y299-Y306 AromaticContact CE1-CD2 3.92Å; Y299-Y306 HydrophobicContact CE1-CD2 3.92Å; Y299-Y306 HydrophobicContact CE1-CE1 4.13Å; Y299-Y306 AromaticContact CE1-CE2 3.56Å; Y299-Y306 HydrophobicContact CE1-CE2 3.56Å; Y299-Y306 HydrophobicContact CE1-CG 4.33Å; Y299-Y306 AromaticContact CE1-CZ 3.68Å
300M74Confident78.5Confident15 Ų1554.5 Ų54.57%0.07429%0.289CS..Hα-helixtrans-64.7-23.7175.2-68.3-74.7-171.900113.3Y64 V67 F280 V296 Y302 F308Y64-M300 HydrophobicContact CE1-CE 3.54Å; Y64-M300 HydrophobicContact CE1-SD 3.79Å; V67-M300 HydrophobicContact CG1-SD 4.28Å; F280-M300 HydrophobicContact CE1-CE 4.38Å; F280-M300 HydrophobicContact CE1-CG 4.08Å; F280-M300 HydrophobicContact CE1-SD 3.89Å; F280-M300 HydrophobicContact CZ-CE 3.85Å; F280-M300 HydrophobicContact CZ-CG 3.91Å; F280-M300 HydrophobicContact CZ-SD 3.9Å; V296-M300 HydrophobicContact CG2-CE 4.14Å; V296-M300 HydrophobicContact CG2-CG 4.34Å; V296-M300 VanDerWaalsContact O-CG 3.27Å; V296-M300 WeakPolarHBondContact O-CG 3.34Å; V296-M300 PolarHBondContact O-N 3.17Å; M300-Y302 PolarHBondContact O-N 3.2Å; M300-F308 HydrophobicContact CE-CD2 3.5Å; M300-F308 HydrophobicContact CE-CE2 3.49Å; M300-F308 VanDerWaalsContact CE-CE2 3.49Å; M300-F308 HydrophobicContact CE-CG 4.23Å; M300-F308 HydrophobicContact CE-CZ 4.21Å; M300-F308 HydrophobicContact SD-CB 4.26Å; M300-F308 HydrophobicContact SD-CD2 3.82Å; M300-F308 HydrophobicContact SD-CE2 4.39Å; M300-F308 HydrophobicContact SD-CG 4.09Å
301S73Confident78.2Confident46 Ų4655.9 Ų55.932%0.32230%0.297SS..SBendtrans-67.1128.5176.2179.50000110.8Q297 Y299 K303 S304Q297-S301 PolarHBondContact O-N 3.18Å; Y299-S301 PolarHBondContact O-N 3.33Å; S301-K303 PolarHBondContact O-N 3.3Å; S301-K303 PolarHBondContact OG-N 2.88Å; S301-S304 WeakPolarHBondContact O-CB 3.38Å; S301-S304 PolarHBondContact O-N 2.93Å; S301-S304 PolarHBondContact O-OG 3.37Å
302Y66.9Low78.1Confident110 Ų11055.3 Ų55.343%0.43130%0.296SS..G310 helixtrans-51.8-27.3173.973.1-91.2000113.4D71 M300 S304 G305D71-Y302 HydrophobicContact CB-CE1 4.27Å; D71-Y302 WeakPolarHBondContact OD2-CE1 3.15Å; D71-Y302 PolarHBondContact OD2-OH 3.24Å; M300-Y302 PolarHBondContact O-N 3.2Å; Y302-S304 PolarHBondContact O-N 3Å; Y302-G305 PolarHBondContact O-N 3.44Å
303K73.9Confident78.8Confident160 Ų16052.4 Ų52.470%0.69628%0.28SS*.G310 helixtrans-68.4-15.2178.3-62.5-176.1-178.7176.70113.3S301 G305S301-K303 PolarHBondContact O-N 3.3Å; S301-K303 PolarHBondContact OG-N 2.88Å; K303-G305 VanDerWaalsContact C-N 3.26Å
304S79Confident79.4Confident24 Ų2450.8 Ų50.817%0.16827%0.269CS..G310 helixtrans-70.8-25177.581.60000112.2R282 N298 Y299 S301 Y302 Y306R282-S304 PolarHBondContact NH1-O 3.05Å; N298-S304 WeakPolarHBondContact O-CB 3.02Å; Y299-S304 PolarHBondContact O-OG 2.72Å; S301-S304 WeakPolarHBondContact O-CB 3.38Å; S301-S304 PolarHBondContact O-N 2.93Å; S301-S304 PolarHBondContact O-OG 3.37Å; Y302-S304 PolarHBondContact O-N 3Å; S304-Y306 PolarHBondContact O-N 3.11Å; S304-Y306 WeakPolarHBondContact OG-CB 3.09Å; S304-Y306 PolarHBondContact OG-N 3.08Å
305G82Confident80.3Confident45 Ų4544.5 Ų44.546%0.46423%0.23SC..  trans69.58.5-170.500000114R282 Y302 K303R282-G305 WeakPolarHBondContact CD-O 3.23Å; R282-G305 WeakPolarHBondContact CG-O 3.33Å; Y302-G305 PolarHBondContact O-N 3.44Å; K303-G305 VanDerWaalsContact C-N 3.26Å
306Y84.9Confident80.9Confident12 Ų1242.1 Ų42.15%0.04722%0.219CC..PPolyproline II helixtrans-91.7146.6170.4-71-89.9000110.8S184 F280 F281 R282 D285 Y299 S304S184-Y306 VanDerWaalsContact CB-OH 3.22Å; S184-Y306 WeakPolarHBondContact CB-OH 3.47Å; F280-Y306 HydrophobicContact CB-CD1 3.95Å; F280-Y306 HydrophobicContact CB-CG 4.26Å; F281-Y306 CarbonylContact O-C 3.53Å; F281-Y306 VanDerWaalsContact O-CA 3.3Å; F281-Y306 WeakPolarHBondContact O-CA 3.29Å; R282-Y306 HydrophobicContact CB-CD1 3.51Å; R282-Y306 HydrophobicContact CB-CE1 3.63Å; R282-Y306 HydrophobicContact CB-CG 4.08Å; R282-Y306 PolarHBondContact NH2-OH 3.39Å; D285-Y306 HydrophobicContact CB-CE1 4.26Å; D285-Y306 PolarHBondContact OD2-OH 3.36Å; Y299-Y306 HydrophobicContact CD1-CD1 4.21Å; Y299-Y306 AromaticContact CD1-CD2 3.62Å; Y299-Y306 HydrophobicContact CD1-CD2 3.62Å; Y299-Y306 HydrophobicContact CD1-CE1 4.39Å; Y299-Y306 AromaticContact CD1-CE2 3.79Å; Y299-Y306 HydrophobicContact CD1-CE2 3.79Å; Y299-Y306 AromaticContact CD1-CG 3.84Å; Y299-Y306 HydrophobicContact CD1-CG 3.84Å; Y299-Y306 HydrophobicContact CE1-CD1 4.42Å; Y299-Y306 AromaticContact CE1-CD2 3.92Å; Y299-Y306 HydrophobicContact CE1-CD2 3.92Å; Y299-Y306 HydrophobicContact CE1-CE1 4.13Å; Y299-Y306 AromaticContact CE1-CE2 3.56Å; Y299-Y306 HydrophobicContact CE1-CE2 3.56Å; Y299-Y306 HydrophobicContact CE1-CG 4.33Å; Y299-Y306 AromaticContact CE1-CZ 3.68Å; S304-Y306 PolarHBondContact O-N 3.11Å; S304-Y306 WeakPolarHBondContact OG-CB 3.09Å; S304-Y306 PolarHBondContact OG-N 3.08Å
307L78.2Confident81.4Confident90 Ų9048.8 Ų48.847%0.47125%0.254SS..EExtended strand (participates in β ladder)trans-97.9127.6168.9-60.8176.2000108.8F280 F281 H309F280-L307 CarbonylContact C-O 3.55Å; F280-L307 VanDerWaalsContact CA-O 3.3Å; F280-L307 WeakPolarHBondContact CA-O 3.43Å; F281-L307 HydrophobicContact CD1-CD1 4.47Å; F281-L307 PolarHBondContact N-O 3Å; F281-L307 PolarHBondContact O-N 3.32Å; L307-H309 PolarHBondContact O-CD2 3.17Å
308F79.7Confident81.8Confident7 Ų746 Ų463%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-66.7130168.5178.1-105.1000110.9Y64 T65 N68 Y278 F280 M300 G310Y64-F308 AromaticContact CD1-CD1 3.61Å; Y64-F308 HydrophobicContact CD1-CD1 3.61Å; Y64-F308 AromaticContact CD1-CE1 3.28Å; Y64-F308 HydrophobicContact CD1-CE1 3.28Å; Y64-F308 HydrophobicContact CD1-CG 4.41Å; Y64-F308 AromaticContact CD1-CZ 3.85Å; Y64-F308 HydrophobicContact CD1-CZ 3.85Å; Y64-F308 HydrophobicContact CE1-CD1 4.14Å; Y64-F308 AromaticContact CE1-CE1 3.92Å; Y64-F308 HydrophobicContact CE1-CE1 3.92Å; Y64-F308 HydrophobicContact CE1-CZ 4.11Å; Y64-F308 HydrophobicContact CG-CE1 4.14Å; T65-F308 HydrophobicContact CG2-CD1 4.17Å; N68-F308 PolarHBondContact ND2-N 2.93Å; N68-F308 WeakPolarHBondContact OD1-CB 3.21Å; N68-F308 PolarHBondContact OD1-N 3.03Å; Y278-F308 AromaticContact CD1-CE2 3.56Å; Y278-F308 HydrophobicContact CD1-CE2 3.56Å; Y278-F308 AromaticContact CD1-CZ 3.95Å; Y278-F308 HydrophobicContact CD1-CZ 3.95Å; Y278-F308 HydrophobicContact CE1-CE2 4.35Å; Y278-F308 HydrophobicContact CE1-CZ 4.46Å; Y278-F308 HydrophobicContact CG-CE2 4.08Å; F280-F308 HydrophobicContact CD1-CB 4.3Å; F280-F308 HydrophobicContact CD1-CD2 4.33Å; F280-F308 HydrophobicContact CE1-CB 4.04Å; F280-F308 AromaticContact CE1-CD2 3.74Å; F280-F308 HydrophobicContact CE1-CD2 3.74Å; F280-F308 HydrophobicContact CE1-CG 4.39Å; F280-F308 HydrophobicContact CE2-CD2 4.49Å; F280-F308 AromaticContact CZ-CD2 3.85Å; F280-F308 HydrophobicContact CZ-CD2 3.85Å; M300-F308 HydrophobicContact CE-CD2 3.5Å; M300-F308 HydrophobicContact CE-CE2 3.49Å; M300-F308 VanDerWaalsContact CE-CE2 3.49Å; M300-F308 HydrophobicContact CE-CG 4.23Å; M300-F308 HydrophobicContact CE-CZ 4.21Å; M300-F308 HydrophobicContact SD-CB 4.26Å; M300-F308 HydrophobicContact SD-CD2 3.82Å; M300-F308 HydrophobicContact SD-CE2 4.39Å; M300-F308 HydrophobicContact SD-CG 4.09Å; F308-G310 VanDerWaalsContact CE1-CA 3.47Å; F308-G310 WeakPolarHBondContact CE2-O 3.39Å
309H75.9Confident81.9Confident86 Ų8642.3 Ų42.340%0.39822%0.223SC..EExtended strand (participates in β ladder)trans-117.47.2-174.7-88-143.2000113.6D279 F281 L307D279-H309 HydrophobicContact CB-CB 3.67Å; D279-H309 PolarHBondContact O-N 3.17Å; F281-H309 WeakPolarHBondContact CB-CE1 3.49Å; F281-H309 WeakPolarHBondContact CB-NE2 3.43Å; F281-H309 AromaticContact CD1-NE2 3.94Å; F281-H309 AromaticContact CG-CE1 3.7Å; F281-H309 AromaticContact CG-NE2 3.8Å; L307-H309 PolarHBondContact O-CD2 3.17Å
310G76.2Confident82Confident2 Ų243.6 Ų43.62%0.02123%0.231CC..EExtended strand (participates in β ladder)trans105.8-167.317800000114.5Y278 D279 F308Y278-G310 WeakPolarHBondContact CA-O 3.36Å; D279-G310 PolarHBondContact N-O 3.26Å; F308-G310 VanDerWaalsContact CE1-CA 3.47Å; F308-G310 WeakPolarHBondContact CE2-O 3.39Å
311V83.5Confident82.5Confident30 Ų3045.3 Ų45.318%0.18224%0.24CC..EExtended strand (participates in β ladder)trans-96.4118.4174.6177.50000108.3A276 I277 Y278 F313A276-V311 HydrophobicContact CB-CG1 4.08Å; A276-V311 HydrophobicContact CB-CG2 4.24Å; I277-V311 CarbonylContact O-C 3.45Å; I277-V311 WeakPolarHBondContact O-CA 3.5Å; Y278-V311 HydrophobicContact CD1-CG2 3.72Å; Y278-V311 HydrophobicContact CE1-CG2 3.66Å; V311-F313 WeakPolarHBondContact CG1-O 2.95Å
312S87.7Confident83.1Confident11 Ų1145.3 Ų45.38%0.07724%0.235CC..EExtended strand (participates in β ladder)trans-68-42.3177.3-35.40000111.6I277 D279 H289I277-S312 PolarHBondContact O-N 3.39Å; D279-S312 PolarHBondContact OD1-OG 3.37Å; D279-S312 PolarHBondContact OD2-OG 3.4Å; H289-S312 PolarHBondContact ND1-OG 3.3Å
313F91.8Very high84.1Confident0 Ų040.9 Ų40.90%022%0.222CC..EExtended strand (participates in β ladder)trans-173.5167.3179.452.7-88.4000110L177 L189 V227 A242 A264 V265 I277 V311 I315L177-F313 HydrophobicContact CD2-CE2 4.48Å; L189-F313 HydrophobicContact CD1-CZ 3.99Å; V227-F313 HydrophobicContact CG1-CD1 3.96Å; V227-F313 HydrophobicContact CG1-CE1 3.57Å; V227-F313 HydrophobicContact CG1-CE2 4.43Å; V227-F313 HydrophobicContact CG1-CZ 3.84Å; V227-F313 HydrophobicContact CG2-CD1 4.22Å; V227-F313 HydrophobicContact CG2-CD2 4.15Å; V227-F313 HydrophobicContact CG2-CE1 4.48Å; V227-F313 HydrophobicContact CG2-CE2 4.38Å; V227-F313 HydrophobicContact CG2-CG 4.08Å; A242-F313 HydrophobicContact CB-CB 3.81Å; A242-F313 HydrophobicContact CB-CD1 4.48Å; A242-F313 HydrophobicContact CB-CG 4.48Å; A264-F313 HydrophobicContact CB-CB 3.88Å; A264-F313 HydrophobicContact CB-CD2 3.72Å; A264-F313 HydrophobicContact CB-CG 4.07Å; V265-F313 CarbonylContact O-C 3.58Å; V265-F313 WeakPolarHBondContact O-CA 3.36Å; V265-F313 WeakPolarHBondContact O-CB 3.26Å; I277-F313 HydrophobicContact CB-CD2 4.29Å; I277-F313 HydrophobicContact CB-CE1 4.45Å; I277-F313 HydrophobicContact CB-CE2 4.04Å; I277-F313 HydrophobicContact CB-CZ 4.11Å; I277-F313 HydrophobicContact CG1-CD2 3.97Å; I277-F313 HydrophobicContact CG1-CE2 3.52Å; I277-F313 HydrophobicContact CG1-CZ 3.95Å; I277-F313 HydrophobicContact CG2-CE1 4.32Å; I277-F313 HydrophobicContact CG2-CE2 4.48Å; I277-F313 HydrophobicContact CG2-CZ 4.07Å; I277-F313 PolarHBondContact N-O 3.03Å; V311-F313 WeakPolarHBondContact CG1-O 2.95Å; F313-I315 HydrophobicContact CD2-CG2 3.59Å; F313-I315 HydrophobicContact CE2-CG2 3.61Å
314A91.6Very high84.9Confident0 Ų032.4 Ų32.40%019%0.188CC..EExtended strand (participates in β ladder)trans-119.7145.8171.800000112.7A264 V265 G267 V268 A273 I275A264-A314 WeakPolarHBondContact CB-O 3.49Å; V265-A314 HydrophobicContact CG2-CB 4.07Å; V265-A314 WeakPolarHBondContact CG2-O 3.5Å; V265-A314 PolarHBondContact N-O 3.36Å; V265-A314 PolarHBondContact O-N 2.9Å; G267-A314 WeakPolarHBondContact O-CB 3.21Å; V268-A314 HydrophobicContact CB-CB 4.44Å; V268-A314 HydrophobicContact CG1-CB 3.84Å; V268-A314 VanDerWaalsContact N-CB 3.35Å; A273-A314 HydrophobicContact CB-CB 4.03Å; I275-A314 CarbonylContact O-C 3.52Å; I275-A314 VanDerWaalsContact O-CA 3.23Å; I275-A314 WeakPolarHBondContact O-CA 3.44Å
315I94.3Very high85.3Confident0 Ų033.1 Ų33.10%019%0.19CC..EExtended strand (participates in β ladder)trans-126173.6-174.768.6178.5000111L177 I210 R212 A264 A273 T274 I275 I277 F313L177-I315 HydrophobicContact CD2-CD1 3.75Å; L177-I315 HydrophobicContact CD2-CG2 4.37Å; I210-I315 HydrophobicContact CD1-CD1 4.45Å; I210-I315 HydrophobicContact CG1-CD1 4.4Å; R212-I315 WeakPolarHBondContact O-CB 3.36Å; A264-I315 HydrophobicContact CB-CG2 4.36Å; A273-I315 WeakPolarHBondContact CA-O 3.4Å; T274-I315 PolarHBondContact N-O 3.49Å; I275-I315 HydrophobicContact CB-CD1 4.49Å; I275-I315 HydrophobicContact CB-CG1 3.7Å; I275-I315 HydrophobicContact CG2-CD1 4.25Å; I275-I315 HydrophobicContact CG2-CG1 3.92Å; I275-I315 PolarHBondContact N-O 2.8Å; I275-I315 PolarHBondContact O-N 2.68Å; I277-I315 HydrophobicContact CD1-CD1 3.88Å; I277-I315 HydrophobicContact CD1-CG1 4.4Å; I277-I315 HydrophobicContact CG1-CD1 4.27Å; I277-I315 HydrophobicContact CG1-CG2 4.49Å; F313-I315 HydrophobicContact CD2-CG2 3.59Å; F313-I315 HydrophobicContact CE2-CG2 3.61Å
316W93Very high85.6Confident5 Ų532.1 Ų32.12%0.01917%0.167CC..BIsolated β-bridgetrans-95.6156.4-179-60.2-88.8000111.2T170 A171 L174 G211 R212 A214 L224 V265 C271 A273T170-W316 HydrophobicContact CG2-CG 4.41Å; A171-W316 HydrophobicContact CB-CH2 3.77Å; A171-W316 HydrophobicContact CB-CZ2 3.46Å; A171-W316 VanDerWaalsContact CB-CZ2 3.46Å; A171-W316 HydrophobicContact CB-CZ3 4.39Å; L174-W316 HydrophobicContact CD1-CB 3.79Å; L174-W316 HydrophobicContact CD1-CD2 4.23Å; L174-W316 HydrophobicContact CD1-CG 3.9Å; L174-W316 HydrophobicContact CD2-CD2 3.86Å; L174-W316 HydrophobicContact CD2-CE3 3.49Å; L174-W316 VanDerWaalsContact CD2-CE3 3.49Å; L174-W316 HydrophobicContact CD2-CG 4.4Å; L174-W316 HydrophobicContact CD2-CZ3 3.99Å; G211-W316 CarbonylContact C-O 3.53Å; G211-W316 VanDerWaalsContact CA-O 3.31Å; G211-W316 WeakPolarHBondContact CA-O 3.46Å; R212-W316 PolarHBondContact N-O 3.36Å; R212-W316 PolarHBondContact O-N 2.89Å; A214-W316 HydrophobicContact CB-CH2 4.38Å; A214-W316 HydrophobicContact CB-CZ3 4.12Å; L224-W316 HydrophobicContact CD2-CH2 3.55Å; L224-W316 HydrophobicContact CD2-CZ2 4.26Å; L224-W316 HydrophobicContact CD2-CZ3 4.5Å; V265-W316 HydrophobicContact CG1-CH2 4.38Å; V265-W316 HydrophobicContact CG1-CZ2 4.24Å; C271-W316 HydrophobicContact CB-CZ2 4.25Å; C271-W316 PolarHBondContact O-NE1 3.09Å; A273-W316 HydrophobicContact CB-CZ2 4.46Å
317N90.2Very high85.6Confident142 Ų14233.9 Ų33.976%0.75918%0.178SC*.  trans-71.30167.3-161.823.3000111.3I275I275-N317 HydrophobicContact CD1-CB 4.23Å

Retrieved 317 of 317 residues in 450 ms (Link to these results)

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