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Signal recognition particle 14 kDa protein

Component of the signal recognition particle (SRP) complex, a ribonucleoprotein complex that mediates the cotranslational targeting of secretory and membrane proteins to the endoplasmic reticulum (ER). SRP9 together with SRP14 and the Alu portion of the SRP RNA, constitutes the elongation arrest domain of SRP. The complex of SRP9 and SRP14 is required for SRP RNA binding.

AlphaFold DB , UniProt , Accession A0A077Z113, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 119 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
1M88.1Confident95.8Very high112 Ų11268.6 Ų68.655%0.55237%0.373SS*.  0128.30179.5178.3-70.400105.6R64 K71M1-R64 HydrophobicContact CE-CB 4.21Å; M1-R64 HydrophobicContact CE-CG 4.5Å; M1-R64 HydrophobicContact SD-CB 4.1Å; M1-R64 HydrophobicContact SD-CG 3.94Å; M1-R64 PolarHBondContact SD-NH1 3.22Å; M1-K71 CarbonylContact C-O 3.53Å; M1-K71 WeakPolarHBondContact CA-O 3.41Å; M1-K71 HydrophobicContact CB-CB 3.84Å; M1-K71 HydrophobicContact CE-CB 3.92Å; M1-K71 HydrophobicContact CE-CD 4.31Å; M1-K71 HydrophobicContact CE-CG 4.38Å; M1-K71 HydrophobicContact CG-CB 3.85Å
2T94.8Very high95.8Very high78 Ų7865.4 Ų65.448%0.47935%0.354SS..EExtended strand (participates in β ladder)trans-91.8135-17552.60000110.2K71 I72 S73T2-K71 PolarHBondContact N-O 3.14Å; T2-I72 CarbonylContact O-C 3.59Å; T2-I72 WeakPolarHBondContact O-CA 3.4Å; T2-S73 PolarHBondContact O-N 3.27Å; T2-S73 PolarHBondContact O-OG 2.97Å
3L95.3Very high95.9Very high121 Ų12160.4 Ų60.463%0.63433%0.327SS*.EExtended strand (participates in β ladder)trans-87.8121169.8-177.163.5000107.7S73 V75L3-S73 CarbonylContact C-O 3.51Å; L3-S73 WeakPolarHBondContact CA-O 3.27Å; L3-V75 HydrophobicContact CD1-CG2 4.03Å
4L97.2Very high95.9Very high43 Ų4358.9 Ų58.923%0.22532%0.321CS..  trans-115.5160.7-177.9-62.4179.1000110Q8 F9 E12 I72 S73 T74L4-Q8 HydrophobicContact CB-CB 4.26Å; L4-F9 HydrophobicContact CB-CB 4.3Å; L4-E12 HydrophobicContact CD1-CB 4.23Å; L4-I72 HydrophobicContact CD1-CB 4.03Å; L4-I72 HydrophobicContact CD1-CD1 4.49Å; L4-I72 HydrophobicContact CD1-CG2 3.91Å; L4-S73 PolarHBondContact N-O 3.13Å; L4-T74 PolarHBondContact O-OG1 3.28Å
5D96.8Very high95.8Very high87 Ų8761.7 Ų61.747%0.46533%0.329SS..  trans-65.6159.9165.2-177.763.1000111.3D7 Q8 F9D5-D7 PolarHBondContact O-N 3.16Å; D5-D7 PolarHBondContact OD2-N 2.78Å; D5-Q8 HydrophobicContact CB-CB 4.41Å; D5-Q8 HydrophobicContact CB-CG 4.31Å; D5-Q8 PolarHBondContact O-N 3.31Å; D5-F9 VanDerWaalsContact O-CB 3.29Å; D5-F9 WeakPolarHBondContact O-CB 3.35Å; D5-F9 PolarHBondContact O-N 2.87Å
6N96.4Very high95.7Very high26 Ų2658.3 Ų58.314%0.13931%0.31CS..Hα-helixtrans-56-47.9-177.2-69.9-36.3000113.2F9 L10 T74 F84N6-F9 PolarHBondContact O-N 3.11Å; N6-L10 WeakPolarHBondContact O-CG 3.27Å; N6-L10 PolarHBondContact O-N 3.33Å; N6-T74 PolarHBondContact OD1-OG1 3.35Å; N6-F84 HydrophobicContact CB-CD2 3.96Å; N6-F84 HydrophobicContact CB-CE2 4.21Å
7D96.3Very high95.7Very high105 Ų10556.4 Ų56.456%0.56130%0.299SS*.Hα-helixtrans-72.6-38.6-176.9-68.5-29000110.7D5 F9 L10 A11D5-D7 PolarHBondContact O-N 3.16Å; D5-D7 PolarHBondContact OD2-N 2.78Å; D7-F9 VanDerWaalsContact C-N 3.34Å; D7-F9 PolarHBondContact O-N 2.96Å; D7-L10 PolarHBondContact O-N 2.92Å; D7-A11 PolarHBondContact O-N 3Å
8Q97.2Very high95.5Very high116 Ų11660.3 Ų60.354%0.54232%0.315SS..Hα-helixtrans-63.9-38.7174.7-67.9-175.6-18.500112.4L4 D5 A11 E12L4-Q8 HydrophobicContact CB-CB 4.26Å; D5-Q8 HydrophobicContact CB-CB 4.41Å; D5-Q8 HydrophobicContact CB-CG 4.31Å; D5-Q8 PolarHBondContact O-N 3.31Å; Q8-A11 PolarHBondContact O-N 3.33Å; Q8-E12 WeakPolarHBondContact O-CB 3.49Å; Q8-E12 PolarHBondContact O-N 3.25Å
9F98Very high95.3Very high0 Ų064.9 Ų64.90%033%0.332CS..Hα-helixtrans-62.1-45.1176.4177.9-89.4000111.2L4 D5 N6 D7 E12 L13 F63 A65 I72 T74 F84L4-F9 HydrophobicContact CB-CB 4.3Å; D5-F9 VanDerWaalsContact O-CB 3.29Å; D5-F9 WeakPolarHBondContact O-CB 3.35Å; D5-F9 PolarHBondContact O-N 2.87Å; N6-F9 PolarHBondContact O-N 3.11Å; D7-F9 VanDerWaalsContact C-N 3.34Å; D7-F9 PolarHBondContact O-N 2.96Å; F9-E12 PolarHBondContact O-N 3Å; F9-L13 HydrophobicContact CE1-CD2 4.28Å; F9-L13 WeakPolarHBondContact O-CB 3.13Å; F9-L13 PolarHBondContact O-N 3.33Å; F9-F63 HydrophobicContact CE1-CB 4.17Å; F9-F63 HydrophobicContact CE2-CB 4.49Å; F9-F63 HydrophobicContact CZ-CB 3.89Å; F9-A65 HydrophobicContact CE2-CB 4.16Å; F9-A65 HydrophobicContact CZ-CB 3.89Å; F9-I72 HydrophobicContact CD2-CB 4.31Å; F9-I72 HydrophobicContact CD2-CD1 3.72Å; F9-I72 HydrophobicContact CD2-CG1 3.88Å; F9-I72 HydrophobicContact CE2-CB 4.38Å; F9-I72 HydrophobicContact CE2-CD1 3.79Å; F9-I72 HydrophobicContact CE2-CG1 3.65Å; F9-I72 HydrophobicContact CG-CD1 4.36Å; F9-I72 HydrophobicContact CZ-CD1 4.48Å; F9-T74 HydrophobicContact CB-CG2 3.83Å; F9-T74 HydrophobicContact CD1-CG2 3.57Å; F9-T74 HydrophobicContact CD2-CG2 3.73Å; F9-T74 HydrophobicContact CE1-CG2 4.02Å; F9-T74 HydrophobicContact CE2-CG2 4.14Å; F9-T74 HydrophobicContact CG-CG2 3.42Å; F9-T74 VanDerWaalsContact CG-CG2 3.42Å; F9-T74 HydrophobicContact CZ-CG2 4.28Å; F9-F84 HydrophobicContact CD1-CE2 4.35Å; F9-F84 AromaticContact CD1-CZ 4Å; F9-F84 HydrophobicContact CD1-CZ 4Å; F9-F84 HydrophobicContact CE1-CZ 4.23Å
10L97.3Very high95.2Very high14 Ų1462.7 Ų62.77%0.07332%0.322CS..Hα-helixtrans-64.5-42.6177.5-67.8173000111.8N6 D7 L13 V14 F84 A87 Y88 V91N6-L10 WeakPolarHBondContact O-CG 3.27Å; N6-L10 PolarHBondContact O-N 3.33Å; D7-L10 PolarHBondContact O-N 2.92Å; L10-L13 WeakPolarHBondContact O-CB 3.05Å; L10-L13 PolarHBondContact O-N 2.83Å; L10-V14 WeakPolarHBondContact O-CG2 3.34Å; L10-V14 PolarHBondContact O-N 2.99Å; L10-F84 HydrophobicContact CD1-CD2 4.22Å; L10-F84 HydrophobicContact CD1-CE2 4.13Å; L10-F84 HydrophobicContact CD2-CE2 4.02Å; L10-F84 HydrophobicContact CD2-CZ 4.11Å; L10-F84 HydrophobicContact CG-CD2 4.5Å; L10-F84 HydrophobicContact CG-CE2 3.91Å; L10-F84 HydrophobicContact CG-CZ 4.48Å; L10-A87 HydrophobicContact CD1-CB 3.57Å; L10-Y88 HydrophobicContact CD2-CD2 4.24Å; L10-V91 HydrophobicContact CD2-CG2 4.44Å
11A96.7Very high94.9Very high53 Ų5366.7 Ų66.744%0.43833%0.333SS..Hα-helixtrans-63.2-45.1176.900000112.3D7 Q8 L13 V14 K15D7-A11 PolarHBondContact O-N 3Å; Q8-A11 PolarHBondContact O-N 3.33Å; A11-L13 VanDerWaalsContact C-N 3.3Å; A11-L13 PolarHBondContact O-N 3.26Å; A11-V14 PolarHBondContact O-N 3.24Å; A11-K15 PolarHBondContact O-N 3.44Å
12E96Very high94.9Very high30 Ų3068.2 Ų68.214%0.1435%0.348CS..Hα-helixtrans-68.7-31.9177-167.569.7-176.100111.4L4 Q8 F9 K15 M16 R70 I72L4-E12 HydrophobicContact CD1-CB 4.23Å; Q8-E12 WeakPolarHBondContact O-CB 3.49Å; Q8-E12 PolarHBondContact O-N 3.25Å; F9-E12 PolarHBondContact O-N 3Å; E12-K15 WeakPolarHBondContact O-CB 3.17Å; E12-K15 PolarHBondContact O-N 2.81Å; E12-K15 WeakPolarHBondContact OE2-CD 3.29Å; E12-K15 IonicContact OE2-NZ 2.92Å; E12-K15 PolarHBondContact OE2-NZ 3.31Å; E12-M16 HydrophobicContact CG-CE 4.43Å; E12-M16 WeakPolarHBondContact O-CG 3.47Å; E12-M16 PolarHBondContact O-N 2.82Å; E12-R70 IonicContact OE1-CZ 2.77Å; E12-R70 IonicContact OE1-NH2 3.33Å; E12-R70 PolarHBondContact OE1-NH2 3.32Å; E12-I72 HydrophobicContact CB-CD1 3.97Å; E12-I72 HydrophobicContact CG-CD1 4.03Å; E12-I72 HydrophobicContact CG-CG2 4.11Å
13L96.4Very high94.7Very high0 Ų068.2 Ų68.20%035%0.352CS..Hα-helixtrans-63.3-42.5174.2-175.964.7000111.9F9 L10 A11 K15 M16 F17 V26 I28 A65 Y88 V91F9-L13 HydrophobicContact CE1-CD2 4.28Å; F9-L13 WeakPolarHBondContact O-CB 3.13Å; F9-L13 PolarHBondContact O-N 3.33Å; L10-L13 WeakPolarHBondContact O-CB 3.05Å; L10-L13 PolarHBondContact O-N 2.83Å; A11-L13 VanDerWaalsContact C-N 3.3Å; A11-L13 PolarHBondContact O-N 3.26Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-K15 PolarHBondContact O-N 2.79Å; L13-M16 WeakPolarHBondContact O-CB 3.34Å; L13-M16 PolarHBondContact O-N 2.66Å; L13-M16 VanDerWaalsContact O-N 3.14Å; L13-F17 HydrophobicContact CD1-CE2 3.98Å; L13-F17 HydrophobicContact CD1-CZ 4.37Å; L13-F17 HydrophobicContact CD2-CE2 4.07Å; L13-F17 HydrophobicContact CG-CD2 4.1Å; L13-F17 HydrophobicContact CG-CE2 3.65Å; L13-F17 HydrophobicContact CG-CZ 4.48Å; L13-F17 VanDerWaalsContact O-CD2 3.27Å; L13-F17 WeakPolarHBondContact O-CD2 3.37Å; L13-F17 PolarHBondContact O-N 2.66Å; L13-V26 HydrophobicContact CD1-CG1 4.02Å; L13-I28 HydrophobicContact CD1-CD1 3.76Å; L13-I28 HydrophobicContact CD1-CG1 4.2Å; L13-I28 HydrophobicContact CD2-CD1 4.03Å; L13-I28 HydrophobicContact CG-CD1 4.46Å; L13-A65 HydrophobicContact CD1-CB 3.82Å; L13-Y88 HydrophobicContact CD2-CD2 4.1Å; L13-Y88 HydrophobicContact CD2-CE2 3.94Å; L13-V91 HydrophobicContact CD2-CG1 4.1Å; L13-V91 HydrophobicContact CG-CG1 4.35Å
14V95.6Very high94.5Very high40 Ų4064.3 Ų64.324%0.24234%0.341CS..Hα-helixtrans-59.2-45.2172.8172.90000110.9L10 A11 M16 F17 Q18 V91L10-V14 WeakPolarHBondContact O-CG2 3.34Å; L10-V14 PolarHBondContact O-N 2.99Å; A11-V14 PolarHBondContact O-N 3.24Å; V14-M16 VanDerWaalsContact C-N 3.26Å; V14-M16 PolarHBondContact O-N 2.94Å; V14-F17 PolarHBondContact O-N 3.38Å; V14-F17 VanDerWaalsContact O-N 3.13Å; V14-Q18 HydrophobicContact CG1-CG 4.47Å; V14-Q18 WeakPolarHBondContact O-CG 3.21Å; V14-Q18 PolarHBondContact O-N 3.04Å; V14-V91 HydrophobicContact CG2-CB 4.38Å; V14-V91 HydrophobicContact CG2-CG1 3.68Å; V14-V91 HydrophobicContact CG2-CG2 3.85Å
15K94.7Very high94.3Very high101 Ų10167.1 Ų67.144%0.43936%0.36SS..Hα-helixtrans-61.3-35.1175.8-64.6177-162.6162.30112.3A11 E12 L13 K19A11-K15 PolarHBondContact O-N 3.44Å; E12-K15 WeakPolarHBondContact O-CB 3.17Å; E12-K15 PolarHBondContact O-N 2.81Å; E12-K15 WeakPolarHBondContact OE2-CD 3.29Å; E12-K15 IonicContact OE2-NZ 2.92Å; E12-K15 PolarHBondContact OE2-NZ 3.31Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-K15 PolarHBondContact O-N 2.79Å; K15-K19 VanDerWaalsContact O-CG 3.29Å; K15-K19 WeakPolarHBondContact O-CG 3.46Å; K15-K19 PolarHBondContact O-N 2.93Å; K15-K19 VanDerWaalsContact O-N 3.12Å
16M95.2Very high94.2Very high6 Ų664.3 Ų64.33%0.0335%0.345CS..Hα-helixtrans-63.7-45.5174.2-70.8-170.8-179.400111.3E12 L13 V14 K19 T20 V26 A65 C67 R70 I72E12-M16 HydrophobicContact CG-CE 4.43Å; E12-M16 WeakPolarHBondContact O-CG 3.47Å; E12-M16 PolarHBondContact O-N 2.82Å; L13-M16 WeakPolarHBondContact O-CB 3.34Å; L13-M16 PolarHBondContact O-N 2.66Å; L13-M16 VanDerWaalsContact O-N 3.14Å; V14-M16 VanDerWaalsContact C-N 3.26Å; V14-M16 PolarHBondContact O-N 2.94Å; M16-K19 PolarHBondContact O-N 3.01Å; M16-T20 PolarHBondContact O-N 2.78Å; M16-T20 VanDerWaalsContact O-N 3.07Å; M16-T20 PolarHBondContact O-OG1 2.93Å; M16-V26 HydrophobicContact CB-CG1 4.43Å; M16-V26 HydrophobicContact CB-CG2 4.02Å; M16-A65 HydrophobicContact SD-CB 4.42Å; M16-C67 HydrophobicContact CB-CB 4.23Å; M16-C67 HydrophobicContact CG-CB 4.08Å; M16-C67 HydrophobicContact SD-CB 3.84Å; M16-R70 HydrophobicContact CE-CB 3.92Å; M16-I72 HydrophobicContact CE-CB 4.26Å; M16-I72 HydrophobicContact CE-CD1 3.78Å; M16-I72 HydrophobicContact CE-CG1 3.66Å; M16-I72 HydrophobicContact CE-CG2 3.69Å; M16-I72 HydrophobicContact SD-CD1 4.21Å; M16-I72 HydrophobicContact SD-CG1 4.32Å
17F94.7Very high94.2Very high27 Ų2766.1 Ų66.112%0.11836%0.36CS..Hα-helixtrans-62.5-43.4177.7-75.4-56.8000112.8L13 V14 K19 T20 R21 V26 I28 V91 L92 N95L13-F17 HydrophobicContact CD1-CE2 3.98Å; L13-F17 HydrophobicContact CD1-CZ 4.37Å; L13-F17 HydrophobicContact CD2-CE2 4.07Å; L13-F17 HydrophobicContact CG-CD2 4.1Å; L13-F17 HydrophobicContact CG-CE2 3.65Å; L13-F17 HydrophobicContact CG-CZ 4.48Å; L13-F17 VanDerWaalsContact O-CD2 3.27Å; L13-F17 WeakPolarHBondContact O-CD2 3.37Å; L13-F17 PolarHBondContact O-N 2.66Å; V14-F17 PolarHBondContact O-N 3.38Å; V14-F17 VanDerWaalsContact O-N 3.13Å; F17-K19 VanDerWaalsContact C-N 3.3Å; F17-K19 PolarHBondContact O-N 2.83Å; F17-T20 CarbonylContact O-C 3.59Å; F17-T20 PolarHBondContact O-N 3.27Å; F17-T20 PolarHBondContact O-OG1 2.86Å; F17-R21 PolarHBondContact O-N 2.98Å; F17-R21 VanDerWaalsContact O-N 3.14Å; F17-V26 HydrophobicContact CD1-CB 4.2Å; F17-V26 HydrophobicContact CD1-CG2 3.92Å; F17-V26 HydrophobicContact CE1-CB 3.92Å; F17-V26 HydrophobicContact CE1-CG1 4.31Å; F17-V26 HydrophobicContact CE1-CG2 4.18Å; F17-I28 HydrophobicContact CZ-CD1 3.96Å; F17-V91 HydrophobicContact CD2-CG1 4.19Å; F17-V91 HydrophobicContact CE2-CG1 4.01Å; F17-L92 HydrophobicContact CE2-CD2 4.23Å; F17-L92 HydrophobicContact CZ-CD2 3.85Å; F17-N95 HydrophobicContact CB-CB 3.74Å; F17-N95 VanDerWaalsContact CB-OD1 3.23Å; F17-N95 WeakPolarHBondContact CB-OD1 3.28Å; F17-N95 HydrophobicContact CD1-CB 4.05Å; F17-N95 HydrophobicContact CD2-CB 3.69Å; F17-N95 HydrophobicContact CE2-CB 4.25Å; F17-N95 HydrophobicContact CG-CB 3.58Å
18Q93Very high94.1Very high127 Ų12763.2 Ų63.259%0.59335%0.345SS*.Hα-helixtrans-58.1-43.3175.2-70.7171.8-11.100111.5V14 T20 R21V14-Q18 HydrophobicContact CG1-CG 4.47Å; V14-Q18 WeakPolarHBondContact O-CG 3.21Å; V14-Q18 PolarHBondContact O-N 3.04Å; Q18-T20 VanDerWaalsContact C-N 3.33Å; Q18-T20 PolarHBondContact O-N 2.83Å; Q18-R21 WeakPolarHBondContact O-CB 3.43Å; Q18-R21 PolarHBondContact O-N 3.22Å
19K92.1Very high94.1Very high148 Ų14860.9 Ų60.964%0.64334%0.338SS*.Hα-helixtrans-67.9-29.2178.2-73.7175.8-178.8-178.40113.7K15 M16 F17K15-K19 VanDerWaalsContact O-CG 3.29Å; K15-K19 WeakPolarHBondContact O-CG 3.46Å; K15-K19 PolarHBondContact O-N 2.93Å; K15-K19 VanDerWaalsContact O-N 3.12Å; M16-K19 PolarHBondContact O-N 3.01Å; F17-K19 VanDerWaalsContact C-N 3.3Å; F17-K19 PolarHBondContact O-N 2.83Å
20T92.6Very high94Very high19 Ų1965.7 Ų65.712%0.11736%0.362CS..THydrogen-bonded Turntrans-93.66.9178.856.60000113.5M16 F17 Q18 T22 S23 V26 C67M16-T20 PolarHBondContact O-N 2.78Å; M16-T20 VanDerWaalsContact O-N 3.07Å; M16-T20 PolarHBondContact O-OG1 2.93Å; F17-T20 CarbonylContact O-C 3.59Å; F17-T20 PolarHBondContact O-N 3.27Å; F17-T20 PolarHBondContact O-OG1 2.86Å; Q18-T20 VanDerWaalsContact C-N 3.33Å; Q18-T20 PolarHBondContact O-N 2.83Å; T20-T22 VanDerWaalsContact C-N 3.27Å; T20-T22 PolarHBondContact O-N 2.9Å; T20-S23 WeakPolarHBondContact CA-O 3.28Å; T20-S23 PolarHBondContact O-N 2.95Å; T20-V26 HydrophobicContact CG2-CG2 3.77Å; T20-V26 WeakPolarHBondContact OG1-CG2 3.11Å; T20-C67 WeakPolarHBondContact CG2-SG 3.45Å
21R89.4Confident93.8Very high147 Ų14771.7 Ų71.756%0.55539%0.387SS*.SBendtrans-59.6-37.3-173.8-168.667.5-177.382.7-3.2113.2F17 Q18 D97F17-R21 PolarHBondContact O-N 2.98Å; F17-R21 VanDerWaalsContact O-N 3.14Å; Q18-R21 WeakPolarHBondContact O-CB 3.43Å; Q18-R21 PolarHBondContact O-N 3.22Å; R21-D97 IonicContact CZ-OD1 2.97Å; R21-D97 VanDerWaalsContact CZ-OD1 3.24Å; R21-D97 IonicContact CZ-OD2 3.98Å; R21-D97 IonicContact NE-OD1 3.04Å; R21-D97 IonicContact NE-OD2 2.63Å; R21-D97 PolarHBondContact NE-OD2 2.83Å; R21-D97 IonicContact NH1-OD1 3.24Å; R21-D97 IonicContact NH2-OD1 3.33Å; R21-D97 PolarHBondContact NH2-OD1 2.87Å; R21-D97 IonicContact NH2-OD2 3.2Å; R21-D97 PolarHBondContact NH2-OD2 2.89Å
22T88.4Confident93.5Very high144 Ų14477.4 Ų77.488%0.88340%0.398SS*.SBendtrans-97.6-34.6179.4-42.80000112.3T20T20-T22 VanDerWaalsContact C-N 3.27Å; T20-T22 PolarHBondContact O-N 2.9Å
23S89.8Confident93.3Very high78 Ų7878 Ų7855%0.54540%0.399SS..SBendtrans-155.2133.6-176.2176.90000112.7T20T20-S23 WeakPolarHBondContact CA-O 3.28Å; T20-S23 PolarHBondContact O-N 2.95Å
24G90.8Very high92.8Very high40 Ų4080.6 Ų80.641%0.41241%0.413SS..  trans108.8179.817600000112.8
25V92.9Very high92.2Very high102 Ų10280.4 Ų80.462%0.61842%0.419SS*.  trans-133.2144.5-177-270000108.7
26V94.9Very high91.6Very high27 Ų2781.4 Ų81.416%0.16442%0.42CS..EExtended strand (participates in β ladder)trans-103.9118.5167.2-175.90000107.6L13 M16 F17 T20 I28 R66 C67L13-V26 HydrophobicContact CD1-CG1 4.02Å; M16-V26 HydrophobicContact CB-CG1 4.43Å; M16-V26 HydrophobicContact CB-CG2 4.02Å; F17-V26 HydrophobicContact CD1-CB 4.2Å; F17-V26 HydrophobicContact CD1-CG2 3.92Å; F17-V26 HydrophobicContact CE1-CB 3.92Å; F17-V26 HydrophobicContact CE1-CG1 4.31Å; F17-V26 HydrophobicContact CE1-CG2 4.18Å; T20-V26 HydrophobicContact CG2-CG2 3.77Å; T20-V26 WeakPolarHBondContact OG1-CG2 3.11Å; V26-I28 HydrophobicContact CG1-CD1 4.5Å; V26-I28 HydrophobicContact CG1-CG1 4.08Å; V26-R66 WeakPolarHBondContact CA-O 3.39Å; V26-C67 HydrophobicContact CG2-CB 4.34Å
27S95.6Very high91Very high65 Ų6587.2 Ų87.246%0.45546%0.456SS..EExtended strand (participates in β ladder)trans-100.9124.6175.8-540000109.6A65 R66S27-A65 CarbonylContact O-C 3.59Å; S27-A65 WeakPolarHBondContact O-CA 3.19Å; S27-R66 PolarHBondContact N-O 3.02Å; S27-R66 PolarHBondContact O-N 3.43Å
28I96Very high90.4Very high44 Ų4494.1 Ų94.123%0.22649%0.485CS..EExtended strand (participates in β ladder)trans-119.3134.6179.9-50.4171.9000108.6L13 F17 V26 F63 R64 A65 Y88 L92L13-I28 HydrophobicContact CD1-CD1 3.76Å; L13-I28 HydrophobicContact CD1-CG1 4.2Å; L13-I28 HydrophobicContact CD2-CD1 4.03Å; L13-I28 HydrophobicContact CG-CD1 4.46Å; F17-I28 HydrophobicContact CZ-CD1 3.96Å; V26-I28 HydrophobicContact CG1-CD1 4.5Å; V26-I28 HydrophobicContact CG1-CG1 4.08Å; I28-F63 HydrophobicContact CG2-CD1 4.48Å; I28-R64 CarbonylContact C-O 3.56Å; I28-R64 VanDerWaalsContact CA-O 3.31Å; I28-R64 WeakPolarHBondContact CA-O 3.39Å; I28-A65 HydrophobicContact CG1-CB 4.14Å; I28-Y88 HydrophobicContact CD1-CE2 4.13Å; I28-Y88 HydrophobicContact CG2-CE2 4.45Å; I28-L92 HydrophobicContact CD1-CD2 4.12Å
29T96.6Very high89.8Confident67 Ų6793.9 Ų93.941%0.41150%0.495SS..EExtended strand (participates in β ladder)trans-126.7135.4174.764.60000110F63 R64T29-F63 CarbonylContact O-C 3.53Å; T29-F63 WeakPolarHBondContact O-CA 3.3Å; T29-R64 PolarHBondContact N-O 3.48Å; T29-R64 PolarHBondContact O-N 3.37Å
30M95Very high89Confident101 Ų10192.2 Ų92.250%0.49849%0.488SS..EExtended strand (participates in β ladder)trans-113.4130.5172.2-179.5-173.3-179.800108.6C61 L62 F63M30-C61 HydrophobicContact CE-CB 3.88Å; M30-C61 VanDerWaalsContact CE-SG 3.51Å; M30-L62 WeakPolarHBondContact CA-O 3.43Å; M30-F63 HydrophobicContact CB-CD1 4.09Å; M30-F63 HydrophobicContact CB-CE1 3.81Å; M30-F63 HydrophobicContact CB-CZ 4.11Å; M30-F63 HydrophobicContact CE-CE2 4.02Å; M30-F63 HydrophobicContact CE-CZ 3.77Å; M30-F63 HydrophobicContact CG-CD1 4.3Å; M30-F63 HydrophobicContact CG-CD2 4.36Å; M30-F63 HydrophobicContact CG-CE1 3.78Å; M30-F63 HydrophobicContact CG-CE2 3.84Å; M30-F63 HydrophobicContact CG-CZ 3.53Å; M30-F63 HydrophobicContact SD-CE1 3.89Å; M30-F63 HydrophobicContact SD-CE2 4.12Å; M30-F63 HydrophobicContact SD-CZ 3.41Å; M30-F63 WeakPolarHBondContact SD-CZ 3.39Å
31K93.7Very high88.4Confident139 Ų13996.7 Ų96.760%0.60452%0.517SS*.EExtended strand (participates in β ladder)trans-135.4150175.9-65.4-171178-171.60110.7L62K31-L62 PolarHBondContact N-O 3.48Å; K31-L62 PolarHBondContact O-N 2.93Å
32R91.4Very high87.8Confident174 Ų174101.7 Ų101.766%0.65754%0.536SS*.EExtended strand (participates in β ladder)trans-64.2135.9167.1-169.9176-176.7157.40.3109.3Y59R32-Y59 HydrophobicContact CG-CD1 3.94Å; R32-Y59 HydrophobicContact CG-CG 4.46Å; R32-Y59 VanDerWaalsContact NE-CE1 3.27Å; R32-Y59 VanDerWaalsContact NE-CG 3.28Å; R32-Y59 VanDerWaalsContact NH2-CG 3.27Å
33Y90.1Very high86.7Confident43 Ų43102.6 Ų102.617%0.16953%0.528CS..EExtended strand (participates in β ladder)trans-134.9132.9-174.8-176.5-123000110.5G35 R36 K60 L62 V75Y33-G35 VanDerWaalsContact CE1-CA 3.44Å; Y33-G35 VanDerWaalsContact CZ-C 3.48Å; Y33-G35 VanDerWaalsContact CZ-CA 3.49Å; Y33-G35 VanDerWaalsContact OH-C 3.29Å; Y33-G35 PolarHBondContact OH-O 3.21Å; Y33-R36 WeakPolarHBondContact CE2-O 3.42Å; Y33-R36 PolarHBondContact OH-O 2.92Å; Y33-K60 HydrophobicContact CD1-CB 4.24Å; Y33-K60 PolarHBondContact N-O 2.79Å; Y33-K60 WeakPolarHBondContact O-CA 3.46Å; Y33-K60 PolarHBondContact O-N 2.91Å; Y33-L62 HydrophobicContact CD2-CD2 4.21Å; Y33-L62 HydrophobicContact CG-CB 4.05Å; Y33-L62 HydrophobicContact CG-CD2 4.5Å; Y33-V75 HydrophobicContact CD1-CG1 3.79Å; Y33-V75 HydrophobicContact CD1-CG2 3.97Å; Y33-V75 HydrophobicContact CE1-CG1 4.1Å; Y33-V75 HydrophobicContact CE1-CG2 3.86Å
34D86.4Confident85.3Confident53 Ų53103.7 Ų103.728%0.28354%0.536SS..  trans-106.212.6-175.656.43.2000112.5R36 V57D34-R36 VanDerWaalsContact C-N 3.3Å; D34-R36 PolarHBondContact O-N 2.93Å; D34-R36 WeakPolarHBondContact OD1-CB 3.48Å; D34-R36 VanDerWaalsContact OD1-CG 3.27Å; D34-R36 WeakPolarHBondContact OD1-CG 3.45Å; D34-R36 PolarHBondContact OD1-N 3.14Å; D34-R36 WeakPolarHBondContact OD2-CD 3.48Å; D34-R36 IonicContact OD2-CZ 3.74Å; D34-R36 IonicContact OD2-NE 3.66Å; D34-R36 PolarHBondContact OD2-NE 2.83Å; D34-R36 IonicContact OD2-NH1 2.96Å; D34-R36 PolarHBondContact OD2-NH1 2.83Å; D34-R36 IonicContact OD2-NH2 3.48Å; D34-R36 PolarHBondContact OD2-NH2 2.81Å; D34-V57 HydrophobicContact CB-CG1 3.94Å
35G84Confident83.9Confident36 Ų36106.4 Ų106.437%0.37155%0.554SS.*SBendtrans83.5-3.7-179.300000114.9Y33 T37Y33-G35 VanDerWaalsContact CE1-CA 3.44Å; Y33-G35 VanDerWaalsContact CZ-C 3.48Å; Y33-G35 VanDerWaalsContact CZ-CA 3.49Å; Y33-G35 VanDerWaalsContact OH-C 3.29Å; Y33-G35 PolarHBondContact OH-O 3.21Å; G35-T37 PolarHBondContact O-N 3.22Å
36R81.7Confident82.2Confident123 Ų123105.8 Ų105.846%0.46456%0.559SS.*  trans-71.9120.3-176.4-64.7176.6-169.4151.513111.9Y33 D34 K40Y33-R36 WeakPolarHBondContact CE2-O 3.42Å; Y33-R36 PolarHBondContact OH-O 2.92Å; D34-R36 VanDerWaalsContact C-N 3.3Å; D34-R36 PolarHBondContact O-N 2.93Å; D34-R36 WeakPolarHBondContact OD1-CB 3.48Å; D34-R36 VanDerWaalsContact OD1-CG 3.27Å; D34-R36 WeakPolarHBondContact OD1-CG 3.45Å; D34-R36 PolarHBondContact OD1-N 3.14Å; D34-R36 WeakPolarHBondContact OD2-CD 3.48Å; D34-R36 IonicContact OD2-CZ 3.74Å; D34-R36 IonicContact OD2-NE 3.66Å; D34-R36 PolarHBondContact OD2-NE 2.83Å; D34-R36 IonicContact OD2-NH1 2.96Å; D34-R36 PolarHBondContact OD2-NH1 2.83Å; D34-R36 IonicContact OD2-NH2 3.48Å; D34-R36 PolarHBondContact OD2-NH2 2.81Å; R36-K40 VanDerWaalsContact NH2-NZ 3.16Å
37T81.1Confident80.2Confident127 Ų127106.2 Ų106.278%0.77957%0.566SS**  trans-96.4-18.7174.854.90000113.5G35G35-T37 PolarHBondContact O-N 3.22Å
38K82.4Confident78.2Confident172 Ų172106.5 Ų106.575%0.74857%0.572SS**SBendtrans-116142.7178.3-64.7-178.2-178.8179.80110.7
39P80.7Confident76.1Confident122 Ų122112.3 Ų112.379%0.79260%0.598SS**PPolyproline II helixtrans-57.3141.2171.1-21.332.3000110.9P41P39-P41 WeakPolarHBondContact O-CD 3.41Å
40K75.2Confident73.9Confident113 Ų113116.7 Ų116.749%0.49161%0.614SS.*PPolyproline II helixtrans-68.1124.7165.3-78.4-176171.2179.20107.6R36 R42R36-K40 VanDerWaalsContact NH2-NZ 3.16Å; K40-R42 PolarHBondContact O-N 2.97Å
41P80.8Confident71.9Confident114 Ų114114.9 Ų114.974%0.7461%0.612SS**PPolyproline II helixtrans-51.4134.7166.7-22.932.8000108.7P39 K43P39-P41 WeakPolarHBondContact O-CD 3.41Å; P41-K43 PolarHBondContact O-N 3.47Å
42R76.9Confident69.8Low251 Ų251113.6 Ų113.695%0.94762%0.615SS**  trans-62101.9173.6-66.417881167.63.6106.4K40K40-R42 PolarHBondContact O-N 2.97Å
43K64.4Low67.6Low164 Ų164113.9 Ų113.971%0.71362%0.623SS**  trans-68143.5167.1-69.8-169.7176-174.60107.3P41 A47P41-K43 PolarHBondContact O-N 3.47Å; K43-A47 HydrophobicContact CB-CB 3.88Å; K43-A47 HydrophobicContact CD-CB 3.55Å; K43-A47 HydrophobicContact CG-CB 4.36Å
44S59.9Low65.8Low101 Ų101114.3 Ų114.371%0.70664%0.636SS**  trans-50149.9168.648.90000109.5A46 A47S44-A46 PolarHBondContact O-N 3.42Å; S44-A47 PolarHBondContact O-N 2.82Å; S44-A47 VanDerWaalsContact O-N 3.16Å
45A62.1Low64.1Low97 Ų97119.9 Ų119.980%0.80266%0.66SS**G310 helixtrans-46.5-25.6-164.400000115.7A47A45-A47 VanDerWaalsContact C-N 3.34Å; A45-A47 PolarHBondContact O-N 3.19Å
46A57Low62.8Low88 Ų88123 Ų12373%0.72768%0.682SS**G310 helixtrans-67.7-18-17800000116.2S44S44-A46 PolarHBondContact O-N 3.42Å
47A54.2Low62Low37 Ų37119.5 Ų119.531%0.30667%0.674SS.*G310 helixtrans-107.210.3-177.300000114.4K43 S44 A45 E49K43-A47 HydrophobicContact CB-CB 3.88Å; K43-A47 HydrophobicContact CD-CB 3.55Å; K43-A47 HydrophobicContact CG-CB 4.36Å; S44-A47 PolarHBondContact O-N 2.82Å; S44-A47 VanDerWaalsContact O-N 3.16Å; A45-A47 VanDerWaalsContact C-N 3.34Å; A45-A47 PolarHBondContact O-N 3.19Å; A47-E49 VanDerWaalsContact C-N 3.33Å
48A53.6Low61.9Low70 Ų70119.2 Ų119.258%0.57967%0.668SS**SBendtrans-70.3-29.5178.900000112.6
49E51.7Low62.1Low166 Ų166116.7 Ų116.778%0.77666%0.655SS**G310 helixtrans-79.8-29.2-170.7-66.6178.6177.700113.8A47 S51A47-E49 VanDerWaalsContact C-N 3.33Å; E49-S51 VanDerWaalsContact C-N 3.25Å; E49-S51 PolarHBondContact O-N 3.36Å; E49-S51 VanDerWaalsContact O-N 3.11Å
50Q49.3Very low62.6Low159 Ų159114 Ų11474%0.74363%0.631SS**G310 helixtrans-740.9-177.1-99.689.522.500116.3
51S53Low63.5Low64 Ų64109.7 Ų109.745%0.44861%0.614SS.*G310 helixtrans-1078.2-177.873.20000116.1E49 H53E49-S51 VanDerWaalsContact C-N 3.25Å; E49-S51 PolarHBondContact O-N 3.36Å; E49-S51 VanDerWaalsContact O-N 3.11Å; S51-H53 VanDerWaalsContact C-N 3.32Å
52V51Low64.2Low112 Ų112105.1 Ų105.168%0.67958%0.583SS**SBendtrans-71.4-26.7175.7-175.40000112.1
53H45Very low65.1Low179 Ų17993.3 Ų93.383%0.82954%0.539SS*.SBendtrans-120.511.4-172.6-68.8-66.4000115.9S51 H55S51-H53 VanDerWaalsContact C-N 3.32Å; H53-H55 PolarHBondContact O-N 3.41Å
54A50.8Low66.7Low52 Ų5290.2 Ų90.243%0.4352%0.523SS..  trans-82.690.5-176.500000112.1
55H51.5Low68.5Low171 Ų17185.5 Ų85.579%0.79249%0.49SS*.  trans72.8147.9158.8-52.4-74.3000116.4H53 V57H53-H55 PolarHBondContact O-N 3.41Å; H55-V57 WeakPolarHBondContact O-CG2 3.36Å; H55-V57 PolarHBondContact O-N 3.46Å
56A56.1Low70.1Confident101 Ų10187 Ų8784%0.83548%0.475SS*.  trans-5874.2172.700000110.8D58A56-D58 PolarHBondContact O-N 2.87Å
57V65.1Low71.8Confident50 Ų5083.5 Ų83.530%0.30345%0.445SS..  trans-70.6101.8172.2179.90000105.1D34 H55 Y59D34-V57 HydrophobicContact CB-CG1 3.94Å; H55-V57 WeakPolarHBondContact O-CG2 3.36Å; H55-V57 PolarHBondContact O-N 3.46Å; V57-Y59 WeakPolarHBondContact O-CD2 3.35Å; V57-Y59 WeakPolarHBondContact O-CE2 3.4Å; V57-Y59 PolarHBondContact O-N 3.26Å
58D79.1Confident73.5Confident121 Ų12188.4 Ų88.465%0.64746%0.459SS*.  trans-53.8103.4168.6-81.9-25.8000108.5A56 K60A56-D58 PolarHBondContact O-N 2.87Å; D58-K60 PolarHBondContact O-N 3.38Å
59Y86.2Confident75.2Confident118 Ų11890.2 Ų90.246%0.46347%0.468SS..  trans-72.8123.2-175.3-71.1-76.9000109.5R32 V57 S78R32-Y59 HydrophobicContact CG-CD1 3.94Å; R32-Y59 HydrophobicContact CG-CG 4.46Å; R32-Y59 VanDerWaalsContact NE-CE1 3.27Å; R32-Y59 VanDerWaalsContact NE-CG 3.28Å; R32-Y59 VanDerWaalsContact NH2-CG 3.27Å; V57-Y59 WeakPolarHBondContact O-CD2 3.35Å; V57-Y59 WeakPolarHBondContact O-CE2 3.4Å; V57-Y59 PolarHBondContact O-N 3.26Å; Y59-S78 PolarHBondContact O-OG 3.3Å
60K91.8Very high77.2Confident67 Ų6789.2 Ų89.229%0.29146%0.457SS..EExtended strand (participates in β ladder)trans-98165.8178.3-54.9-176.7-176.5-173.90109.6Y33 D58 V75 V76 N77Y33-K60 HydrophobicContact CD1-CB 4.24Å; Y33-K60 PolarHBondContact N-O 2.79Å; Y33-K60 WeakPolarHBondContact O-CA 3.46Å; Y33-K60 PolarHBondContact O-N 2.91Å; D58-K60 PolarHBondContact O-N 3.38Å; K60-V75 HydrophobicContact CB-CG1 3.84Å; K60-V75 HydrophobicContact CD-CG1 3.7Å; K60-V75 HydrophobicContact CG-CG1 4.34Å; K60-V76 CarbonylContact C-O 3.59Å; K60-V76 VanDerWaalsContact CA-O 3.28Å; K60-V76 WeakPolarHBondContact CA-O 3.31Å; K60-V76 WeakPolarHBondContact CB-O 3.41Å; K60-N77 VanDerWaalsContact CD-OD1 3.29Å; K60-N77 WeakPolarHBondContact CD-OD1 3.41Å; K60-N77 WeakPolarHBondContact CE-OD1 3.29Å; K60-N77 PolarHBondContact NZ-OD1 3.2Å
61C93.8Very high79.5Confident22 Ų2285.7 Ų85.715%0.14944%0.439CS..EExtended strand (participates in β ladder)trans-109.8127.7170.1-59.20000109.3M30 F63 V75 V76M30-C61 HydrophobicContact CE-CB 3.88Å; M30-C61 VanDerWaalsContact CE-SG 3.51Å; C61-F63 HydrophobicContact CB-CD2 4.21Å; C61-F63 HydrophobicContact CB-CE2 3.76Å; C61-V75 CarbonylContact O-C 3.55Å; C61-V75 WeakPolarHBondContact O-CA 3.45Å; C61-V76 HydrophobicContact CB-CB 4.3Å; C61-V76 PolarHBondContact N-O 2.78Å; C61-V76 PolarHBondContact O-N 3.48Å
62L94.9Very high81.6Confident17 Ų1782.8 Ų82.89%0.08942%0.418CS..EExtended strand (participates in β ladder)trans-100114.3173.1175.863.4000109.1M30 K31 Y33 R64 V75M30-L62 WeakPolarHBondContact CA-O 3.43Å; K31-L62 PolarHBondContact N-O 3.48Å; K31-L62 PolarHBondContact O-N 2.93Å; Y33-L62 HydrophobicContact CD2-CD2 4.21Å; Y33-L62 HydrophobicContact CG-CB 4.05Å; Y33-L62 HydrophobicContact CG-CD2 4.5Å; L62-R64 HydrophobicContact CD1-CG 4.45Å; L62-R64 HydrophobicContact CG-CG 4.22Å; L62-V75 HydrophobicContact CD1-CG2 3.8Å
63F97.3Very high83.8Confident4 Ų477.8 Ų77.82%0.01839%0.388CS..EExtended strand (participates in β ladder)trans-97.8137.8171.8-74.9-100.4000109.5F9 I28 T29 M30 C61 S73 T74 V76 F84 Y88F9-F63 HydrophobicContact CE1-CB 4.17Å; F9-F63 HydrophobicContact CE2-CB 4.49Å; F9-F63 HydrophobicContact CZ-CB 3.89Å; I28-F63 HydrophobicContact CG2-CD1 4.48Å; T29-F63 CarbonylContact O-C 3.53Å; T29-F63 WeakPolarHBondContact O-CA 3.3Å; M30-F63 HydrophobicContact CB-CD1 4.09Å; M30-F63 HydrophobicContact CB-CE1 3.81Å; M30-F63 HydrophobicContact CB-CZ 4.11Å; M30-F63 HydrophobicContact CE-CE2 4.02Å; M30-F63 HydrophobicContact CE-CZ 3.77Å; M30-F63 HydrophobicContact CG-CD1 4.3Å; M30-F63 HydrophobicContact CG-CD2 4.36Å; M30-F63 HydrophobicContact CG-CE1 3.78Å; M30-F63 HydrophobicContact CG-CE2 3.84Å; M30-F63 HydrophobicContact CG-CZ 3.53Å; M30-F63 HydrophobicContact SD-CE1 3.89Å; M30-F63 HydrophobicContact SD-CE2 4.12Å; M30-F63 HydrophobicContact SD-CZ 3.41Å; M30-F63 WeakPolarHBondContact SD-CZ 3.39Å; C61-F63 HydrophobicContact CB-CD2 4.21Å; C61-F63 HydrophobicContact CB-CE2 3.76Å; F63-S73 CarbonylContact O-C 3.5Å; F63-S73 WeakPolarHBondContact O-CA 3.29Å; F63-S73 VanDerWaalsContact O-CB 3.28Å; F63-S73 WeakPolarHBondContact O-CB 3.41Å; F63-T74 HydrophobicContact CB-CG2 3.82Å; F63-T74 PolarHBondContact N-O 3.03Å; F63-T74 PolarHBondContact O-N 3.03Å; F63-V76 HydrophobicContact CD2-CG2 3.83Å; F63-V76 HydrophobicContact CE2-CG2 3.98Å; F63-F84 HydrophobicContact CD1-CE1 4.16Å; F63-F84 AromaticContact CD2-CE1 3.79Å; F63-F84 HydrophobicContact CD2-CE1 3.79Å; F63-F84 HydrophobicContact CD2-CZ 4.33Å; F63-F84 AromaticContact CE1-CE1 4Å; F63-F84 HydrophobicContact CE1-CE1 4Å; F63-F84 HydrophobicContact CE2-CD1 4.04Å; F63-F84 AromaticContact CE2-CE1 3.61Å; F63-F84 HydrophobicContact CE2-CE1 3.61Å; F63-F84 HydrophobicContact CG-CE1 4.05Å; F63-F84 HydrophobicContact CG-CZ 4.37Å; F63-F84 HydrophobicContact CZ-CD1 4.2Å; F63-F84 AromaticContact CZ-CE1 3.72Å; F63-F84 HydrophobicContact CZ-CE1 3.72Å; F63-Y88 HydrophobicContact CE1-CD1 4.41Å; F63-Y88 HydrophobicContact CE1-CE1 4.17Å
64R97Very high86.3Confident99 Ų9969.3 Ų69.337%0.37435%0.349SS..EExtended strand (participates in β ladder)trans-133.4130.1172.6-53.9-178.1178.6-90.511.6108.3M1 I28 T29 L62 I72M1-R64 HydrophobicContact CE-CB 4.21Å; M1-R64 HydrophobicContact CE-CG 4.5Å; M1-R64 HydrophobicContact SD-CB 4.1Å; M1-R64 HydrophobicContact SD-CG 3.94Å; M1-R64 PolarHBondContact SD-NH1 3.22Å; I28-R64 CarbonylContact C-O 3.56Å; I28-R64 VanDerWaalsContact CA-O 3.31Å; I28-R64 WeakPolarHBondContact CA-O 3.39Å; T29-R64 PolarHBondContact N-O 3.48Å; T29-R64 PolarHBondContact O-N 3.37Å; L62-R64 HydrophobicContact CD1-CG 4.45Å; L62-R64 HydrophobicContact CG-CG 4.22Å; R64-I72 WeakPolarHBondContact CA-O 3.49Å
65A97.2Very high88.4Confident1 Ų168.5 Ų68.51%0.00834%0.339CS..EExtended strand (participates in β ladder)trans-120.6140174.200000110.2F9 L13 M16 S27 I28 K71 I72F9-A65 HydrophobicContact CE2-CB 4.16Å; F9-A65 HydrophobicContact CZ-CB 3.89Å; L13-A65 HydrophobicContact CD1-CB 3.82Å; M16-A65 HydrophobicContact SD-CB 4.42Å; S27-A65 CarbonylContact O-C 3.59Å; S27-A65 WeakPolarHBondContact O-CA 3.19Å; I28-A65 HydrophobicContact CG1-CB 4.14Å; A65-K71 WeakPolarHBondContact O-CA 3.1Å; A65-I72 HydrophobicContact CB-CD1 4.25Å; A65-I72 HydrophobicContact CB-CG1 3.82Å; A65-I72 PolarHBondContact N-O 3.47Å; A65-I72 PolarHBondContact O-N 2.93Å
66R96.3Very high90.6Very high130 Ų13060.4 Ų60.449%0.49130%0.301SS..EExtended strand (participates in β ladder)trans-131.9131.9179.7179.3175.8-176.7176.1-4.4110.3V26 S27 K68 R70 K71V26-R66 WeakPolarHBondContact CA-O 3.39Å; S27-R66 PolarHBondContact N-O 3.02Å; S27-R66 PolarHBondContact O-N 3.43Å; R66-K68 PolarHBondContact NE-O 3.33Å; R66-R70 WeakPolarHBondContact CA-O 3.38Å; R66-K71 HydrophobicContact CB-CG 4.44Å; R66-K71 HydrophobicContact CG-CG 4.01Å
67C93.3Very high92.3Very high14 Ų1458 Ų5810%0.09527%0.274CS..EExtended strand (participates in β ladder)trans-133107.9168.5175.20000108.4M16 T20 V26 S69 R70M16-C67 HydrophobicContact CB-CB 4.23Å; M16-C67 HydrophobicContact CG-CB 4.08Å; M16-C67 HydrophobicContact SD-CB 3.84Å; T20-C67 WeakPolarHBondContact CG2-SG 3.45Å; V26-C67 HydrophobicContact CG2-CB 4.34Å; C67-S69 PolarHBondContact O-N 3.12Å; C67-R70 PolarHBondContact N-O 3.27Å; C67-R70 PolarHBondContact O-N 3.39Å
68K89.3Confident93.6Very high140 Ų14058.3 Ų58.361%0.60928%0.279SS*.THydrogen-bonded Turntrans51.2-108.5-176.8-59.3175.8179.2174.80111.3R66R66-K68 PolarHBondContact NE-O 3.33Å
69S90.1Very high94.2Very high108 Ų10860.6 Ų60.676%0.75528%0.283SS*.THydrogen-bonded Turntrans-83.7-29.8178.6-177.40000113.3C67C67-S69 PolarHBondContact O-N 3.12Å
70R92.9Very high94.5Very high144 Ų14457.5 Ų57.554%0.54327%0.274SS..EExtended strand (participates in β ladder)trans-77129.7-176.7-60.5-73.5-72.4-156-4.4110.4E12 M16 R66 C67E12-R70 IonicContact OE1-CZ 2.77Å; E12-R70 IonicContact OE1-NH2 3.33Å; E12-R70 PolarHBondContact OE1-NH2 3.32Å; M16-R70 HydrophobicContact CE-CB 3.92Å; R66-R70 WeakPolarHBondContact CA-O 3.38Å; C67-R70 PolarHBondContact N-O 3.27Å; C67-R70 PolarHBondContact O-N 3.39Å
71K97.4Very high94.6Very high85 Ų8556.1 Ų56.137%0.3727%0.272SS..EExtended strand (participates in β ladder)trans-135.6117.8-179-64174.7-169.7174.30109.6M1 T2 A65 R66M1-K71 CarbonylContact C-O 3.53Å; M1-K71 WeakPolarHBondContact CA-O 3.41Å; M1-K71 HydrophobicContact CB-CB 3.84Å; M1-K71 HydrophobicContact CE-CB 3.92Å; M1-K71 HydrophobicContact CE-CD 4.31Å; M1-K71 HydrophobicContact CE-CG 4.38Å; M1-K71 HydrophobicContact CG-CB 3.85Å; T2-K71 PolarHBondContact N-O 3.14Å; A65-K71 WeakPolarHBondContact O-CA 3.1Å; R66-K71 HydrophobicContact CB-CG 4.44Å; R66-K71 HydrophobicContact CG-CG 4.01Å
72I97.7Very high94.6Very high4 Ų461.1 Ų61.12%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-121.8157.817863.2172.1000110.6T2 L4 F9 E12 M16 R64 A65T2-I72 CarbonylContact O-C 3.59Å; T2-I72 WeakPolarHBondContact O-CA 3.4Å; L4-I72 HydrophobicContact CD1-CB 4.03Å; L4-I72 HydrophobicContact CD1-CD1 4.49Å; L4-I72 HydrophobicContact CD1-CG2 3.91Å; F9-I72 HydrophobicContact CD2-CB 4.31Å; F9-I72 HydrophobicContact CD2-CD1 3.72Å; F9-I72 HydrophobicContact CD2-CG1 3.88Å; F9-I72 HydrophobicContact CE2-CB 4.38Å; F9-I72 HydrophobicContact CE2-CD1 3.79Å; F9-I72 HydrophobicContact CE2-CG1 3.65Å; F9-I72 HydrophobicContact CG-CD1 4.36Å; F9-I72 HydrophobicContact CZ-CD1 4.48Å; E12-I72 HydrophobicContact CB-CD1 3.97Å; E12-I72 HydrophobicContact CG-CD1 4.03Å; E12-I72 HydrophobicContact CG-CG2 4.11Å; M16-I72 HydrophobicContact CE-CB 4.26Å; M16-I72 HydrophobicContact CE-CD1 3.78Å; M16-I72 HydrophobicContact CE-CG1 3.66Å; M16-I72 HydrophobicContact CE-CG2 3.69Å; M16-I72 HydrophobicContact SD-CD1 4.21Å; M16-I72 HydrophobicContact SD-CG1 4.32Å; R64-I72 WeakPolarHBondContact CA-O 3.49Å; A65-I72 HydrophobicContact CB-CD1 4.25Å; A65-I72 HydrophobicContact CB-CG1 3.82Å; A65-I72 PolarHBondContact N-O 3.47Å; A65-I72 PolarHBondContact O-N 2.93Å
73S97.2Very high94.7Very high6 Ų667.7 Ų67.74%0.04233%0.325CS..EExtended strand (participates in β ladder)trans-147.5153.1176.448.20000111.2T2 L3 L4 F63T2-S73 PolarHBondContact O-N 3.27Å; T2-S73 PolarHBondContact O-OG 2.97Å; L3-S73 CarbonylContact C-O 3.51Å; L3-S73 WeakPolarHBondContact CA-O 3.27Å; L4-S73 PolarHBondContact N-O 3.13Å; F63-S73 CarbonylContact O-C 3.5Å; F63-S73 WeakPolarHBondContact O-CA 3.29Å; F63-S73 VanDerWaalsContact O-CB 3.28Å; F63-S73 WeakPolarHBondContact O-CB 3.41Å
74T97.4Very high94.7Very high2 Ų267.9 Ų67.91%0.01233%0.326CS..EExtended strand (participates in β ladder)trans-138.6153.7168.9-175.40000110.2L4 N6 F9 F63 V76 F84L4-T74 PolarHBondContact O-OG1 3.28Å; N6-T74 PolarHBondContact OD1-OG1 3.35Å; F9-T74 HydrophobicContact CB-CG2 3.83Å; F9-T74 HydrophobicContact CD1-CG2 3.57Å; F9-T74 HydrophobicContact CD2-CG2 3.73Å; F9-T74 HydrophobicContact CE1-CG2 4.02Å; F9-T74 HydrophobicContact CE2-CG2 4.14Å; F9-T74 HydrophobicContact CG-CG2 3.42Å; F9-T74 VanDerWaalsContact CG-CG2 3.42Å; F9-T74 HydrophobicContact CZ-CG2 4.28Å; F63-T74 HydrophobicContact CB-CG2 3.82Å; F63-T74 PolarHBondContact N-O 3.03Å; F63-T74 PolarHBondContact O-N 3.03Å; T74-V76 HydrophobicContact CG2-CG2 4.28Å; T74-F84 HydrophobicContact CG2-CE2 4.05Å; T74-F84 HydrophobicContact CG2-CZ 3.84Å
75V95.9Very high94.6Very high34 Ų3467.4 Ų67.421%0.20633%0.327CS..EExtended strand (participates in β ladder)trans-113.5118.8173.3176.20000108.6L3 Y33 K60 C61 L62L3-V75 HydrophobicContact CD1-CG2 4.03Å; Y33-V75 HydrophobicContact CD1-CG1 3.79Å; Y33-V75 HydrophobicContact CD1-CG2 3.97Å; Y33-V75 HydrophobicContact CE1-CG1 4.1Å; Y33-V75 HydrophobicContact CE1-CG2 3.86Å; K60-V75 HydrophobicContact CB-CG1 3.84Å; K60-V75 HydrophobicContact CD-CG1 3.7Å; K60-V75 HydrophobicContact CG-CG1 4.34Å; C61-V75 CarbonylContact O-C 3.55Å; C61-V75 WeakPolarHBondContact O-CA 3.45Å; L62-V75 HydrophobicContact CD1-CG2 3.8Å
76V95.9Very high94.6Very high1 Ų173.8 Ų73.81%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-102124.6-179.8-1730000109.1K60 C61 F63 T74 D80 V81 F84K60-V76 CarbonylContact C-O 3.59Å; K60-V76 VanDerWaalsContact CA-O 3.28Å; K60-V76 WeakPolarHBondContact CA-O 3.31Å; K60-V76 WeakPolarHBondContact CB-O 3.41Å; C61-V76 HydrophobicContact CB-CB 4.3Å; C61-V76 PolarHBondContact N-O 2.78Å; C61-V76 PolarHBondContact O-N 3.48Å; F63-V76 HydrophobicContact CD2-CG2 3.83Å; F63-V76 HydrophobicContact CE2-CG2 3.98Å; T74-V76 HydrophobicContact CG2-CG2 4.28Å; V76-D80 HydrophobicContact CG1-CB 4.37Å; V76-V81 HydrophobicContact CG1-CG2 3.98Å; V76-F84 HydrophobicContact CG1-CB 3.83Å; V76-F84 HydrophobicContact CG1-CD1 4.36Å; V76-F84 HydrophobicContact CG1-CG 4.07Å; V76-F84 HydrophobicContact CG2-CB 4.39Å; V76-F84 HydrophobicContact CG2-CD1 3.65Å; V76-F84 HydrophobicContact CG2-CD2 3.94Å; V76-F84 HydrophobicContact CG2-CE1 3.81Å; V76-F84 HydrophobicContact CG2-CE2 4.08Å; V76-F84 HydrophobicContact CG2-CG 3.71Å; V76-F84 HydrophobicContact CG2-CZ 4.01Å
77N93.5Very high94.7Very high51 Ų5169.4 Ų69.427%0.27335%0.353SS..  trans-77.6153.8175.2-59.4-52.5000110.8K60 K79 D80 V81K60-N77 VanDerWaalsContact CD-OD1 3.29Å; K60-N77 WeakPolarHBondContact CD-OD1 3.41Å; K60-N77 WeakPolarHBondContact CE-OD1 3.29Å; K60-N77 PolarHBondContact NZ-OD1 3.2Å; N77-K79 HydrophobicContact CB-CG 4.07Å; N77-K79 PolarHBondContact O-N 3.42Å; N77-K79 VanDerWaalsContact O-N 3.14Å; N77-D80 PolarHBondContact O-N 3.21Å; N77-V81 WeakPolarHBondContact O-CG2 3.44Å; N77-V81 PolarHBondContact O-N 3.43Å
78S90.7Very high94.8Very high56 Ų5670.3 Ų70.339%0.39235%0.354SS..G310 helixtrans-52.6-39.5-177.6-33.70000113.2Y59 D80 V81Y59-S78 PolarHBondContact O-OG 3.3Å; S78-D80 VanDerWaalsContact C-N 3.31Å; S78-D80 PolarHBondContact O-N 3.45Å; S78-V81 PolarHBondContact O-N 3.17Å
79K92.6Very high95.2Very high169 Ų16965.1 Ų65.174%0.73534%0.337SS*.G310 helixtrans-62.8-31.3177.360.7174.9-173.9176.30114.4N77N77-K79 HydrophobicContact CB-CG 4.07Å; N77-K79 PolarHBondContact O-N 3.42Å; N77-K79 VanDerWaalsContact O-N 3.14Å
80D93.5Very high95.5Very high53 Ų5363.6 Ų63.628%0.28333%0.326SS..G310 helixtrans-99.5-5.3-173.7-56.4-49.3000112.1V76 N77 S78 N82 K83 F84V76-D80 HydrophobicContact CG1-CB 4.37Å; N77-D80 PolarHBondContact O-N 3.21Å; S78-D80 VanDerWaalsContact C-N 3.31Å; S78-D80 PolarHBondContact O-N 3.45Å; D80-N82 VanDerWaalsContact C-N 3.32Å; D80-N82 PolarHBondContact O-N 3.27Å; D80-K83 PolarHBondContact O-N 3.14Å; D80-F84 WeakPolarHBondContact O-CB 3.45Å; D80-F84 PolarHBondContact O-N 3.33Å
81V93.6Very high95.6Very high39 Ų3957.7 Ų57.724%0.23631%0.306CS..Hα-helixtrans-56.1-44.9-176173.80000111.5V76 N77 S78 F84 Q85V76-V81 HydrophobicContact CG1-CG2 3.98Å; N77-V81 WeakPolarHBondContact O-CG2 3.44Å; N77-V81 PolarHBondContact O-N 3.43Å; S78-V81 PolarHBondContact O-N 3.17Å; V81-F84 PolarHBondContact O-N 3.43Å; V81-Q85 WeakPolarHBondContact O-CB 3.23Å; V81-Q85 PolarHBondContact O-N 3.15Å
82N94.2Very high95.5Very high126 Ų12655.1 Ų55.167%0.67430%0.297SS*.Hα-helixtrans-62.9-46.8-177.8-69.1-33.8000111.8D80 Q85 L86D80-N82 VanDerWaalsContact C-N 3.32Å; D80-N82 PolarHBondContact O-N 3.27Å; N82-Q85 PolarHBondContact O-N 3.44Å; N82-L86 WeakPolarHBondContact O-CG 3.4Å; N82-L86 PolarHBondContact O-N 2.85Å; N82-L86 VanDerWaalsContact O-N 3.15Å
83K95.8Very high95.2Very high155 Ų15563 Ų6367%0.67433%0.331SS*.Hα-helixtrans-63.4-47.7177.9-175.6-178.9177.4-174.10110.9D80 Q85 L86 A87D80-K83 PolarHBondContact O-N 3.14Å; K83-Q85 VanDerWaalsContact C-N 3.33Å; K83-Q85 PolarHBondContact O-N 3.48Å; K83-L86 PolarHBondContact O-N 3.18Å; K83-A87 PolarHBondContact O-N 3.07Å
84F96.8Very high95.1Very high9 Ų966.1 Ų66.14%0.03936%0.357CS..Hα-helixtrans-62-41.7178.5-176-94.3000111.7N6 F9 L10 F63 T74 V76 D80 V81 L86 A87 Y88N6-F84 HydrophobicContact CB-CD2 3.96Å; N6-F84 HydrophobicContact CB-CE2 4.21Å; F9-F84 HydrophobicContact CD1-CE2 4.35Å; F9-F84 AromaticContact CD1-CZ 4Å; F9-F84 HydrophobicContact CD1-CZ 4Å; F9-F84 HydrophobicContact CE1-CZ 4.23Å; L10-F84 HydrophobicContact CD1-CD2 4.22Å; L10-F84 HydrophobicContact CD1-CE2 4.13Å; L10-F84 HydrophobicContact CD2-CE2 4.02Å; L10-F84 HydrophobicContact CD2-CZ 4.11Å; L10-F84 HydrophobicContact CG-CD2 4.5Å; L10-F84 HydrophobicContact CG-CE2 3.91Å; L10-F84 HydrophobicContact CG-CZ 4.48Å; F63-F84 HydrophobicContact CD1-CE1 4.16Å; F63-F84 AromaticContact CD2-CE1 3.79Å; F63-F84 HydrophobicContact CD2-CE1 3.79Å; F63-F84 HydrophobicContact CD2-CZ 4.33Å; F63-F84 AromaticContact CE1-CE1 4Å; F63-F84 HydrophobicContact CE1-CE1 4Å; F63-F84 HydrophobicContact CE2-CD1 4.04Å; F63-F84 AromaticContact CE2-CE1 3.61Å; F63-F84 HydrophobicContact CE2-CE1 3.61Å; F63-F84 HydrophobicContact CG-CE1 4.05Å; F63-F84 HydrophobicContact CG-CZ 4.37Å; F63-F84 HydrophobicContact CZ-CD1 4.2Å; F63-F84 AromaticContact CZ-CE1 3.72Å; F63-F84 HydrophobicContact CZ-CE1 3.72Å; T74-F84 HydrophobicContact CG2-CE2 4.05Å; T74-F84 HydrophobicContact CG2-CZ 3.84Å; V76-F84 HydrophobicContact CG1-CB 3.83Å; V76-F84 HydrophobicContact CG1-CD1 4.36Å; V76-F84 HydrophobicContact CG1-CG 4.07Å; V76-F84 HydrophobicContact CG2-CB 4.39Å; V76-F84 HydrophobicContact CG2-CD1 3.65Å; V76-F84 HydrophobicContact CG2-CD2 3.94Å; V76-F84 HydrophobicContact CG2-CE1 3.81Å; V76-F84 HydrophobicContact CG2-CE2 4.08Å; V76-F84 HydrophobicContact CG2-CG 3.71Å; V76-F84 HydrophobicContact CG2-CZ 4.01Å; D80-F84 WeakPolarHBondContact O-CB 3.45Å; D80-F84 PolarHBondContact O-N 3.33Å; V81-F84 PolarHBondContact O-N 3.43Å; F84-L86 PolarHBondContact O-N 3.39Å; F84-A87 PolarHBondContact O-N 3.45Å; F84-Y88 HydrophobicContact CE1-CG 4.41Å; F84-Y88 WeakPolarHBondContact O-CB 3.14Å; F84-Y88 PolarHBondContact O-N 2.93Å
85Q95.9Very high94.8Very high88 Ų8867.8 Ų67.841%0.41137%0.366SS..Hα-helixtrans-63.5-41.8-179.2-178.267.6-3.100112V81 N82 K83 A89V81-Q85 WeakPolarHBondContact O-CB 3.23Å; V81-Q85 PolarHBondContact O-N 3.15Å; N82-Q85 PolarHBondContact O-N 3.44Å; K83-Q85 VanDerWaalsContact C-N 3.33Å; K83-Q85 PolarHBondContact O-N 3.48Å; Q85-A89 WeakPolarHBondContact O-CB 3.44Å; Q85-A89 PolarHBondContact O-N 3.15Å
86L97Very high94.5Very high135 Ų13571 Ų7171%0.70738%0.379SS*.Hα-helixtrans-63.7-46.5176.1-70174.4000111.6N82 K83 F84 A89 S90N82-L86 WeakPolarHBondContact O-CG 3.4Å; N82-L86 PolarHBondContact O-N 2.85Å; N82-L86 VanDerWaalsContact O-N 3.15Å; K83-L86 PolarHBondContact O-N 3.18Å; F84-L86 PolarHBondContact O-N 3.39Å; L86-A89 PolarHBondContact O-N 3.41Å; L86-S90 PolarHBondContact O-N 3.16Å
87A97.3Very high93.9Very high39 Ų3975 Ų7532%0.32240%0.401SS..Hα-helixtrans-65.5-44.2178.400000111.8L10 K83 F84 S90 V91L10-A87 HydrophobicContact CD1-CB 3.57Å; K83-A87 PolarHBondContact O-N 3.07Å; F84-A87 PolarHBondContact O-N 3.45Å; A87-S90 WeakPolarHBondContact O-CB 3.18Å; A87-S90 PolarHBondContact O-N 3.26Å; A87-V91 WeakPolarHBondContact O-CG2 3.29Å; A87-V91 PolarHBondContact O-N 3.41Å
88Y97.3Very high93.3Very high33 Ų3376.2 Ų76.213%0.12943%0.425CS..Hα-helixtrans-59.9-46.2174.6175-115.7000112.1L10 L13 I28 F63 F84 S90 V91 L92L10-Y88 HydrophobicContact CD2-CD2 4.24Å; L13-Y88 HydrophobicContact CD2-CD2 4.1Å; L13-Y88 HydrophobicContact CD2-CE2 3.94Å; I28-Y88 HydrophobicContact CD1-CE2 4.13Å; I28-Y88 HydrophobicContact CG2-CE2 4.45Å; F63-Y88 HydrophobicContact CE1-CD1 4.41Å; F63-Y88 HydrophobicContact CE1-CE1 4.17Å; F84-Y88 HydrophobicContact CE1-CG 4.41Å; F84-Y88 WeakPolarHBondContact O-CB 3.14Å; F84-Y88 PolarHBondContact O-N 2.93Å; Y88-S90 VanDerWaalsContact C-N 3.3Å; Y88-S90 PolarHBondContact O-N 3Å; Y88-V91 PolarHBondContact O-N 3.25Å; Y88-L92 HydrophobicContact CD1-CD1 4.12Å; Y88-L92 HydrophobicContact CD2-CG 4.36Å; Y88-L92 HydrophobicContact CE1-CD1 3.49Å; Y88-L92 VanDerWaalsContact CE1-CD1 3.49Å; Y88-L92 HydrophobicContact CE1-CG 4.2Å; Y88-L92 HydrophobicContact CE2-CD1 4.09Å; Y88-L92 HydrophobicContact CE2-CD2 4.06Å; Y88-L92 HydrophobicContact CE2-CG 3.94Å; Y88-L92 VanDerWaalsContact CZ-CD1 3.47Å; Y88-L92 WeakPolarHBondContact O-CG 3.43Å; Y88-L92 PolarHBondContact O-N 3.46Å
89A96.4Very high92.9Very high30 Ų3080.2 Ų80.225%0.24844%0.442CS..Hα-helixtrans-62.7-37.3176.900000112.2Q85 L86 L92 K93Q85-A89 WeakPolarHBondContact O-CB 3.44Å; Q85-A89 PolarHBondContact O-N 3.15Å; L86-A89 PolarHBondContact O-N 3.41Å; A89-L92 PolarHBondContact O-N 2.97Å; A89-K93 WeakPolarHBondContact O-CB 3.36Å; A89-K93 VanDerWaalsContact O-CG 3.29Å; A89-K93 WeakPolarHBondContact O-CG 3.33Å; A89-K93 PolarHBondContact O-N 3.48Å
90S96.1Very high92.5Very high76 Ų7680.6 Ų80.653%0.53144%0.443SS..Hα-helixtrans-62-48.6173.9-173.90000111.5L86 A87 Y88 L92 K93 A94L86-S90 PolarHBondContact O-N 3.16Å; A87-S90 WeakPolarHBondContact O-CB 3.18Å; A87-S90 PolarHBondContact O-N 3.26Å; Y88-S90 VanDerWaalsContact C-N 3.3Å; Y88-S90 PolarHBondContact O-N 3Å; S90-L92 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 3.27Å; S90-K93 PolarHBondContact O-N 3.35Å; S90-A94 WeakPolarHBondContact O-CB 3.44Å; S90-A94 PolarHBondContact O-N 2.9Å
91V95.5Very high92Very high20 Ų2087.2 Ų87.212%0.12147%0.47CS..Hα-helixtrans-57.8-45.7175.9169.10000111.2L10 L13 V14 F17 A87 Y88 A94 N95L10-V91 HydrophobicContact CD2-CG2 4.44Å; L13-V91 HydrophobicContact CD2-CG1 4.1Å; L13-V91 HydrophobicContact CG-CG1 4.35Å; V14-V91 HydrophobicContact CG2-CB 4.38Å; V14-V91 HydrophobicContact CG2-CG1 3.68Å; V14-V91 HydrophobicContact CG2-CG2 3.85Å; F17-V91 HydrophobicContact CD2-CG1 4.19Å; F17-V91 HydrophobicContact CE2-CG1 4.01Å; A87-V91 WeakPolarHBondContact O-CG2 3.29Å; A87-V91 PolarHBondContact O-N 3.41Å; Y88-V91 PolarHBondContact O-N 3.25Å; V91-A94 PolarHBondContact O-N 2.77Å; V91-N95 PolarHBondContact O-N 3.24Å; V91-N95 PolarHBondContact O-ND2 3.47Å
92L94.8Very high91.3Very high32 Ų3296.3 Ų96.317%0.16850%0.5CS..Hα-helixtrans-61.9-49.2177.6-73.2-175.2000112F17 I28 Y88 A89 S90 A94 N95 M96F17-L92 HydrophobicContact CE2-CD2 4.23Å; F17-L92 HydrophobicContact CZ-CD2 3.85Å; I28-L92 HydrophobicContact CD1-CD2 4.12Å; Y88-L92 HydrophobicContact CD1-CD1 4.12Å; Y88-L92 HydrophobicContact CD2-CG 4.36Å; Y88-L92 HydrophobicContact CE1-CD1 3.49Å; Y88-L92 VanDerWaalsContact CE1-CD1 3.49Å; Y88-L92 HydrophobicContact CE1-CG 4.2Å; Y88-L92 HydrophobicContact CE2-CD1 4.09Å; Y88-L92 HydrophobicContact CE2-CD2 4.06Å; Y88-L92 HydrophobicContact CE2-CG 3.94Å; Y88-L92 VanDerWaalsContact CZ-CD1 3.47Å; Y88-L92 WeakPolarHBondContact O-CG 3.43Å; Y88-L92 PolarHBondContact O-N 3.46Å; A89-L92 PolarHBondContact O-N 2.97Å; S90-L92 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 3.27Å; L92-A94 VanDerWaalsContact C-N 3.29Å; L92-A94 PolarHBondContact O-N 3Å; L92-N95 PolarHBondContact O-N 2.63Å; L92-N95 VanDerWaalsContact O-N 3.16Å; L92-M96 HydrophobicContact CB-CE 3.81Å; L92-M96 HydrophobicContact CB-SD 4.47Å; L92-M96 WeakPolarHBondContact O-CB 3.29Å; L92-M96 VanDerWaalsContact O-CG 3.29Å; L92-M96 WeakPolarHBondContact O-CG 3.42Å; L92-M96 PolarHBondContact O-N 3.04Å
93K93Very high90.5Very high169 Ų169100 Ų10074%0.73550%0.504SS*.Hα-helixtrans-59.8-38.9-180-76172.7177.6177.30112.3A89 S90 N95A89-K93 WeakPolarHBondContact O-CB 3.36Å; A89-K93 VanDerWaalsContact O-CG 3.29Å; A89-K93 WeakPolarHBondContact O-CG 3.33Å; A89-K93 PolarHBondContact O-N 3.48Å; S90-K93 PolarHBondContact O-N 3.35Å; K93-N95 VanDerWaalsContact C-N 3.31Å; K93-N95 PolarHBondContact O-N 3.35Å
94A93.3Very high89.4Confident71 Ų7195.9 Ų95.959%0.58750%0.499SS*.Hα-helixtrans-69.4-26.817900000113.5S90 V91 L92S90-A94 WeakPolarHBondContact O-CB 3.44Å; S90-A94 PolarHBondContact O-N 2.9Å; V91-A94 PolarHBondContact O-N 2.77Å; L92-A94 VanDerWaalsContact C-N 3.29Å; L92-A94 PolarHBondContact O-N 3Å
95N91.8Very high87.8Confident37 Ų37100.8 Ų100.820%0.19853%0.526CS..Hα-helixtrans-107.9-13.7-173.7-68.8-83.2000114.2F17 V91 L92 K93 D97F17-N95 HydrophobicContact CB-CB 3.74Å; F17-N95 VanDerWaalsContact CB-OD1 3.23Å; F17-N95 WeakPolarHBondContact CB-OD1 3.28Å; F17-N95 HydrophobicContact CD1-CB 4.05Å; F17-N95 HydrophobicContact CD2-CB 3.69Å; F17-N95 HydrophobicContact CE2-CB 4.25Å; F17-N95 HydrophobicContact CG-CB 3.58Å; V91-N95 PolarHBondContact O-N 3.24Å; V91-N95 PolarHBondContact O-ND2 3.47Å; L92-N95 PolarHBondContact O-N 2.63Å; L92-N95 VanDerWaalsContact O-N 3.16Å; K93-N95 VanDerWaalsContact C-N 3.31Å; K93-N95 PolarHBondContact O-N 3.35Å; N95-D97 PolarHBondContact O-N 2.94Å
96M88.9Confident86.1Confident101 Ų101103.1 Ų103.150%0.49854%0.539SS..  trans-9459.2176.5-65.4-173.8-50.400111.9L92L92-M96 HydrophobicContact CB-CE 3.81Å; L92-M96 HydrophobicContact CB-SD 4.47Å; L92-M96 WeakPolarHBondContact O-CB 3.29Å; L92-M96 VanDerWaalsContact O-CG 3.29Å; L92-M96 WeakPolarHBondContact O-CG 3.42Å; L92-M96 PolarHBondContact O-N 3.04Å
97D83.5Confident84.3Confident86 Ų8699.6 Ų99.646%0.4654%0.536SS..  trans-93.1-8.2-174.861.3-4000114.5R21 N95 L99R21-D97 IonicContact CZ-OD1 2.97Å; R21-D97 VanDerWaalsContact CZ-OD1 3.24Å; R21-D97 IonicContact CZ-OD2 3.98Å; R21-D97 IonicContact NE-OD1 3.04Å; R21-D97 IonicContact NE-OD2 2.63Å; R21-D97 PolarHBondContact NE-OD2 2.83Å; R21-D97 IonicContact NH1-OD1 3.24Å; R21-D97 IonicContact NH2-OD1 3.33Å; R21-D97 PolarHBondContact NH2-OD1 2.87Å; R21-D97 IonicContact NH2-OD2 3.2Å; R21-D97 PolarHBondContact NH2-OD2 2.89Å; N95-D97 PolarHBondContact O-N 2.94Å; D97-L99 PolarHBondContact O-N 2.98Å
98G81.1Confident82.3Confident76 Ų76105.1 Ų105.178%0.78455%0.553SS**  trans-72.419177.500000115.7
99L82.8Confident80.2Confident141 Ų141112 Ų11274%0.73858%0.583SS**PPolyproline II helixtrans-81.4142.1-177.9-67.5165.2000111.2D97 K101D97-L99 PolarHBondContact O-N 2.98Å; L99-K101 PolarHBondContact O-N 3.2Å
100K84.3Confident78.2Confident176 Ų176113.2 Ų113.277%0.76559%0.594SS**PPolyproline II helixtrans-57126.8176.2-177.9177.6179.3177.80109.8R102K100-R102 PolarHBondContact O-N 3.27Å
101K82.5Confident76.4Confident192 Ų192112.7 Ų112.784%0.83559%0.594SS**PPolyproline II helixtrans-53126.1172.5-67.4-175.5-179.8-179.40109.1L99 R103L99-K101 PolarHBondContact O-N 3.2Å; K101-R103 PolarHBondContact O-N 3.06Å
102R79.2Confident74.5Confident230 Ų230116.2 Ų116.287%0.86862%0.616SS**  trans-55.2114.9172.6-177.3178.9178.5-165.11.1107.2K100 A104K100-R102 PolarHBondContact O-N 3.27Å; R102-A104 PolarHBondContact O-N 3.02Å
103R77.5Confident72.6Confident204 Ų204118.3 Ų118.377%0.7763%0.633SS**  trans-65112.7167.8-66.9-164.2179.7-166.21.8105.4K101 N105K101-R103 PolarHBondContact O-N 3.06Å; R103-N105 PolarHBondContact O-N 2.61Å
104A71.5Confident70.9Confident69 Ų69120.6 Ų120.657%0.5764%0.637SS**  trans-51.6142.7160.500000106.5R102 I106R102-A104 PolarHBondContact O-N 3.02Å; A104-I106 PolarHBondContact O-N 3.46Å
105N65Low69.4Low111 Ų111121 Ų12159%0.59464%0.64SS**  trans-6372.1-178.2-67.5-25.6000110.8R103 G107 K108R103-N105 PolarHBondContact O-N 2.61Å; N105-G107 PolarHBondContact O-N 3.21Å; N105-K108 HydrophobicContact CB-CB 4.24Å; N105-K108 PolarHBondContact O-N 3.3Å
106I60Low67.8Low137 Ų137127.2 Ų127.270%0.70367%0.67SS**Hα-helixtrans-65.7-21.8174.4-71.6169.5000109.1A104A104-I106 PolarHBondContact O-N 3.46Å
107G57.8Low66.2Low62 Ų62131.6 Ų131.664%0.63969%0.686SS**Hα-helixtrans-75.5-26.9173.300000115.5N105N105-G107 PolarHBondContact O-N 3.21Å
108K57Low64.7Low155 Ų155131.4 Ų131.467%0.67470%0.697SS**Hα-helixtrans-89-32.1-178.4-72.8-167.1176.5-176.70113.2N105 T112N105-K108 HydrophobicContact CB-CB 4.24Å; N105-K108 PolarHBondContact O-N 3.3Å; K108-T112 PolarHBondContact O-N 3.21Å; K108-T112 PolarHBondContact O-OG1 3.33Å
109K51.9Low63.3Low176 Ų176139 Ų13977%0.76572%0.719SS**Hα-helixtrans-71.5-33.3175-82-168.4173.2-173.60113.1A111 T112 S113K109-A111 VanDerWaalsContact C-N 3.34Å; K109-A111 PolarHBondContact O-N 3.02Å; K109-T112 PolarHBondContact O-N 3.28Å; K109-S113 PolarHBondContact O-N 3.22Å; K109-S113 PolarHBondContact O-OG 3.04Å
110A55Low62.4Low57 Ų57138.9 Ų138.947%0.47172%0.718SS.*Hα-helixtrans-67.1-34.3176.900000112.8S113 R114A110-S113 PolarHBondContact O-OG 3.42Å; A110-R114 PolarHBondContact O-N 3.5Å
111A56.9Low61.2Low65 Ų65136.9 Ų136.954%0.53772%0.716SS.*Hα-helixtrans-69.2-42.6175.500000111.8K109 R114 A115K109-A111 VanDerWaalsContact C-N 3.34Å; K109-A111 PolarHBondContact O-N 3.02Å; A111-R114 PolarHBondContact O-N 3.33Å; A111-A115 PolarHBondContact O-N 3.17Å
112T55.9Low60Low94 Ų94133.9 Ų133.958%0.57771%0.709SS**Hα-helixtrans-67.6-36.5177.9-49.50000112.5K108 K109 R114 A115 M116K108-T112 PolarHBondContact O-N 3.21Å; K108-T112 PolarHBondContact O-OG1 3.33Å; K109-T112 PolarHBondContact O-N 3.28Å; T112-R114 VanDerWaalsContact C-N 3.26Å; T112-R114 PolarHBondContact O-N 3.39Å; T112-A115 PolarHBondContact O-N 3.36Å; T112-M116 PolarHBondContact O-N 3.26Å
113S55Low58.9Low75 Ų75128.2 Ų128.252%0.52470%0.7SS.*Hα-helixtrans-69.3-22.9176.258.10000113.7K109 A110K109-S113 PolarHBondContact O-N 3.22Å; K109-S113 PolarHBondContact O-OG 3.04Å; A110-S113 PolarHBondContact O-OG 3.42Å
114R57.6Low57.7Low218 Ų218123.5 Ų123.582%0.82370%0.696SS**Hα-helixtrans-82.2-32.7176.3-129.2179.7-175-1550.3112.2A110 A111 T112 M116A110-R114 PolarHBondContact O-N 3.5Å; A111-R114 PolarHBondContact O-N 3.33Å; T112-R114 VanDerWaalsContact C-N 3.26Å; T112-R114 PolarHBondContact O-N 3.39Å; R114-M116 VanDerWaalsContact C-N 3.31Å
115A61.9Low56.8Low79 Ų79127.1 Ų127.165%0.65370%0.704SS**Hα-helixtrans-68.9-29.4174.200000112.7A111 T112 K117A111-A115 PolarHBondContact O-N 3.17Å; T112-A115 PolarHBondContact O-N 3.36Å; A115-K117 VanDerWaalsContact C-N 3.34Å; A115-K117 PolarHBondContact O-N 3.48Å
116M59.4Low56.2Low168 Ų168128.3 Ų128.383%0.82871%0.712SS**THydrogen-bonded Turntrans-87.52.8-175.9-147.8168.9176.200114.4T112 R114T112-M116 PolarHBondContact O-N 3.26Å; R114-M116 VanDerWaalsContact C-N 3.31Å
117K55.3Low56Low193 Ų193127.6 Ų127.684%0.83971%0.713SS**THydrogen-bonded Turntrans-113.113177.8-96.5-169.6177.9-176.30113.5A115A115-K117 VanDerWaalsContact C-N 3.34Å; A115-K117 PolarHBondContact O-N 3.48Å
118A50.2Low55.8Low82 Ų82133.1 Ų133.168%0.67872%0.719SS**  trans-115.262175.200000109.5
119D53.6Low55.7Low235 Ų235131.1 Ų131.1100%1.25772%0.723SS**  trans-145.40160.8-136.4-75.4000107.1

Retrieved 119 of 119 residues in 193.6 ms (Link to these results)

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