A0A5K4FA97_SCHMA Loading...

Ribonuclease T(2)

AlphaFold DB , UniProt , Accession A0A5K4FA97, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 127 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
1M40.8Very low84.7Confident244 Ų244118.6 Ų118.6100%1.20260%0.598SS**  0110.80-156.9-177-96.800106S3M1-S3 PolarHBondContact O-N 3.1Å
2F60Low85.7Confident211 Ų211112.6 Ų112.693%0.92557%0.566SS**PPolyproline II helixtrans-71.1117.7-178.7-68-78.2000108.5T4F2-T4 PolarHBondContact O-N 2.81Å
3S74.1Confident86.7Confident75 Ų75105.9 Ų105.952%0.52453%0.531SS..PPolyproline II helixtrans-64.9127.4172.7-177.90000108.3M1 F8M1-S3 PolarHBondContact O-N 3.1Å; S3-F8 PolarHBondContact OG-N 3.03Å
4T91.5Very high87.5Confident74 Ų74106.1 Ų106.145%0.45453%0.529SS..PPolyproline II helixtrans-66.1152.6172.877.30000109.2F2 S6 T7 F8F2-T4 PolarHBondContact O-N 2.81Å; T4-S6 PolarHBondContact O-N 2.85Å; T4-S6 VanDerWaalsContact O-N 3.14Å; T4-S6 PolarHBondContact OG1-OG 3.49Å; T4-T7 WeakPolarHBondContact O-CB 3.24Å; T4-T7 PolarHBondContact O-N 2.93Å; T4-T7 PolarHBondContact OG1-N 3.09Å; T4-T7 VanDerWaalsContact OG1-N 3.1Å; T4-T7 PolarHBondContact OG1-OG1 3.3Å; T4-F8 PolarHBondContact O-N 2.91Å
5L91.1Very high88.1Confident105 Ų105106.9 Ų106.955%0.5553%0.528SS..Hα-helixtrans-54.1-36.6175.7-179.367.2000112R9L5-R9 HydrophobicContact CD1-CG 4.37Å; L5-R9 WeakPolarHBondContact O-CB 3.39Å; L5-R9 VanDerWaalsContact O-CG 3.31Å; L5-R9 WeakPolarHBondContact O-CG 3.29Å; L5-R9 PolarHBondContact O-N 2.84Å
6S93.1Very high88.7Confident87 Ų87105.6 Ų105.661%0.60852%0.52SS*.Hα-helixtrans-66.3-43.4177.2730000112.3T4 R9 K10T4-S6 PolarHBondContact O-N 2.85Å; T4-S6 VanDerWaalsContact O-N 3.14Å; T4-S6 PolarHBondContact OG1-OG 3.49Å; S6-R9 PolarHBondContact O-N 3.5Å; S6-K10 VanDerWaalsContact O-CB 3.29Å; S6-K10 WeakPolarHBondContact O-CB 3.42Å; S6-K10 PolarHBondContact O-N 2.97Å
7T95.9Very high89.2Confident77 Ų7799.4 Ų99.447%0.47249%0.49SS..Hα-helixtrans-63.9-44.5176.6-52.30000110.9T4 K10 H11T4-T7 WeakPolarHBondContact O-CB 3.24Å; T4-T7 PolarHBondContact O-N 2.93Å; T4-T7 PolarHBondContact OG1-N 3.09Å; T4-T7 VanDerWaalsContact OG1-N 3.1Å; T4-T7 PolarHBondContact OG1-OG1 3.3Å; T7-K10 PolarHBondContact O-N 3.21Å; T7-H11 WeakPolarHBondContact O-CB 3.22Å; T7-H11 PolarHBondContact O-N 3.49Å
8F95.7Very high89.7Confident105 Ų10598.8 Ų98.846%0.46149%0.488SS..Hα-helixtrans-61.1-52.6176.5176.2-111.8000111.6S3 T4 K10 H11 E12S3-F8 PolarHBondContact OG-N 3.03Å; T4-F8 PolarHBondContact O-N 2.91Å; F8-K10 VanDerWaalsContact C-N 3.31Å; F8-K10 PolarHBondContact O-N 2.95Å; F8-H11 WeakPolarHBondContact O-CB 3.48Å; F8-H11 PolarHBondContact O-N 3.45Å; F8-H11 VanDerWaalsContact O-N 3.11Å; F8-E12 HydrophobicContact CD1-CG 4.46Å; F8-E12 HydrophobicContact CD2-CG 4.16Å; F8-E12 HydrophobicContact CE1-CG 4.02Å; F8-E12 HydrophobicContact CE2-CG 3.68Å; F8-E12 VanDerWaalsContact CE2-OE1 3.3Å; F8-E12 WeakPolarHBondContact CE2-OE1 3.39Å; F8-E12 HydrophobicContact CZ-CG 3.6Å; F8-E12 WeakPolarHBondContact O-CG 2.82Å; F8-E12 PolarHBondContact O-N 3.2Å
9R95.6Very high90.1Very high118 Ų11899.7 Ų99.745%0.44550%0.504SS..Hα-helixtrans-59.7-41.5178.2-73.5178178.9177.9-0.3112.1L5 S6 H11 E12 F13 F33L5-R9 HydrophobicContact CD1-CG 4.37Å; L5-R9 WeakPolarHBondContact O-CB 3.39Å; L5-R9 VanDerWaalsContact O-CG 3.31Å; L5-R9 WeakPolarHBondContact O-CG 3.29Å; L5-R9 PolarHBondContact O-N 2.84Å; S6-R9 PolarHBondContact O-N 3.5Å; R9-H11 VanDerWaalsContact C-N 3.34Å; R9-H11 PolarHBondContact O-N 2.92Å; R9-E12 PolarHBondContact O-N 3.4Å; R9-F13 PolarHBondContact O-N 3.45Å; R9-F33 HydrophobicContact CB-CE1 4.04Å; R9-F33 HydrophobicContact CB-CE2 4.37Å; R9-F33 HydrophobicContact CB-CZ 3.66Å; R9-F33 HydrophobicContact CG-CE1 3.88Å; R9-F33 HydrophobicContact CG-CZ 4.02Å; R9-F33 WeakPolarHBondContact O-CZ 3.48Å
10K96.6Very high90.4Very high118 Ų11896.5 Ų96.551%0.51349%0.493SS..Hα-helixtrans-58.2-48.2175.1-176.4178.6178.6-177.50111S6 T7 F8 F13 E14S6-K10 VanDerWaalsContact O-CB 3.29Å; S6-K10 WeakPolarHBondContact O-CB 3.42Å; S6-K10 PolarHBondContact O-N 2.97Å; T7-K10 PolarHBondContact O-N 3.21Å; F8-K10 VanDerWaalsContact C-N 3.31Å; F8-K10 PolarHBondContact O-N 2.95Å; K10-F13 PolarHBondContact O-N 2.9Å; K10-E14 WeakPolarHBondContact CE-OE1 3.49Å; K10-E14 VanDerWaalsContact CE-OE2 3.24Å; K10-E14 WeakPolarHBondContact CE-OE2 3.47Å; K10-E14 HydrophobicContact CG-CG 4.26Å; K10-E14 IonicContact NZ-OE1 3.78Å; K10-E14 WeakPolarHBondContact O-CB 3.37Å; K10-E14 WeakPolarHBondContact O-CG 3.13Å; K10-E14 PolarHBondContact O-N 3.45Å
11H96.9Very high90.6Very high91 Ų9195 Ų9542%0.42149%0.488SS..Hα-helixtrans-57.6-50.9177.4-177.175.8000112.3T7 F8 R9 F13 E14 K15T7-H11 WeakPolarHBondContact O-CB 3.22Å; T7-H11 PolarHBondContact O-N 3.49Å; F8-H11 WeakPolarHBondContact O-CB 3.48Å; F8-H11 PolarHBondContact O-N 3.45Å; F8-H11 VanDerWaalsContact O-N 3.11Å; R9-H11 VanDerWaalsContact C-N 3.34Å; R9-H11 PolarHBondContact O-N 2.92Å; H11-F13 VanDerWaalsContact C-N 3.34Å; H11-F13 PolarHBondContact O-N 3.41Å; H11-E14 PolarHBondContact O-N 3Å; H11-K15 VanDerWaalsContact CE1-CD 3.46Å; H11-K15 WeakPolarHBondContact CE1-CD 3.24Å; H11-K15 VanDerWaalsContact NE2-CD 3.32Å; H11-K15 WeakPolarHBondContact NE2-CD 3.19Å; H11-K15 WeakPolarHBondContact O-CB 3.19Å; H11-K15 PolarHBondContact O-N 3.17Å
12E97.4Very high93.2Very high46 Ų4691.7 Ų91.722%0.21547%0.47CS..Hα-helixtrans-60.2-43.9-178.9-66.6-52.212800111.9F8 R9 H16 G17 Y32F8-E12 HydrophobicContact CD1-CG 4.46Å; F8-E12 HydrophobicContact CD2-CG 4.16Å; F8-E12 HydrophobicContact CE1-CG 4.02Å; F8-E12 HydrophobicContact CE2-CG 3.68Å; F8-E12 VanDerWaalsContact CE2-OE1 3.3Å; F8-E12 WeakPolarHBondContact CE2-OE1 3.39Å; F8-E12 HydrophobicContact CZ-CG 3.6Å; F8-E12 WeakPolarHBondContact O-CG 2.82Å; F8-E12 PolarHBondContact O-N 3.2Å; R9-E12 PolarHBondContact O-N 3.4Å; E12-H16 WeakPolarHBondContact O-CA 3.27Å; E12-H16 VanDerWaalsContact O-CB 3.3Å; E12-H16 WeakPolarHBondContact O-CB 3.47Å; E12-H16 PolarHBondContact O-N 3.08Å; E12-H16 IonicContact OE2-CD2 3.59Å; E12-H16 PolarHBondContact OE2-CD2 3.28Å; E12-G17 PolarHBondContact O-N 2.94Å; E12-G17 VanDerWaalsContact O-N 3.13Å; E12-Y32 HydrophobicContact CB-CE1 4.43Å
13F97.8Very high95Very high26 Ų2683.3 Ų83.311%0.11444%0.435CS..Hα-helixtrans-69.9-47.5179.6-177-110.7000112.5R9 K10 H11 K15 G17 L18 Q29 Y32 F33R9-F13 PolarHBondContact O-N 3.45Å; K10-F13 PolarHBondContact O-N 2.9Å; H11-F13 VanDerWaalsContact C-N 3.34Å; H11-F13 PolarHBondContact O-N 3.41Å; F13-K15 PolarHBondContact O-N 3.26Å; F13-G17 CarbonylContact O-C 3.3Å; F13-G17 VanDerWaalsContact O-CA 3.27Å; F13-G17 WeakPolarHBondContact O-CA 3.5Å; F13-G17 PolarHBondContact O-N 2.95Å; F13-L18 HydrophobicContact CE1-CD2 3.71Å; F13-L18 HydrophobicContact CE1-CG 4.19Å; F13-L18 HydrophobicContact CZ-CD2 3.71Å; F13-L18 HydrophobicContact CZ-CG 4.36Å; F13-L18 PolarHBondContact O-N 3.42Å; F13-Q29 HydrophobicContact CD1-CB 4.08Å; F13-Q29 HydrophobicContact CD1-CG 3.91Å; F13-Q29 HydrophobicContact CD2-CB 4.18Å; F13-Q29 HydrophobicContact CD2-CG 4.12Å; F13-Q29 HydrophobicContact CE1-CB 3.79Å; F13-Q29 HydrophobicContact CE1-CG 4.16Å; F13-Q29 HydrophobicContact CE2-CB 3.93Å; F13-Q29 HydrophobicContact CE2-CG 4.39Å; F13-Q29 HydrophobicContact CG-CB 4.26Å; F13-Q29 HydrophobicContact CG-CG 3.89Å; F13-Q29 HydrophobicContact CZ-CB 3.72Å; F13-Q29 HydrophobicContact CZ-CG 4.4Å; F13-Y32 AromaticContact CD2-CD1 3.89Å; F13-Y32 HydrophobicContact CD2-CD1 3.89Å; F13-Y32 AromaticContact CD2-CG 3.95Å; F13-Y32 HydrophobicContact CD2-CG 3.95Å; F13-Y32 HydrophobicContact CE2-CG 4.46Å; F13-F33 HydrophobicContact CB-CE2 4.03Å; F13-F33 HydrophobicContact CB-CZ 4.03Å
14E97.9Very high96Very high108 Ų10884.9 Ų84.951%0.50544%0.444SS..Hα-helixtrans-67.3-37.8-177.7-71.7-179.9164.200112.3K10 H11K10-E14 WeakPolarHBondContact CE-OE1 3.49Å; K10-E14 VanDerWaalsContact CE-OE2 3.24Å; K10-E14 WeakPolarHBondContact CE-OE2 3.47Å; K10-E14 HydrophobicContact CG-CG 4.26Å; K10-E14 IonicContact NZ-OE1 3.78Å; K10-E14 WeakPolarHBondContact O-CB 3.37Å; K10-E14 WeakPolarHBondContact O-CG 3.13Å; K10-E14 PolarHBondContact O-N 3.45Å; H11-E14 PolarHBondContact O-N 3Å
15K97.7Very high96.1Very high118 Ų11886.5 Ų86.551%0.51345%0.446SS..Hα-helixtrans-84.2-34.5-177.6-172.1179.2171.3-163.20113.5H11 F13H11-K15 VanDerWaalsContact CE1-CD 3.46Å; H11-K15 WeakPolarHBondContact CE1-CD 3.24Å; H11-K15 VanDerWaalsContact NE2-CD 3.32Å; H11-K15 WeakPolarHBondContact NE2-CD 3.19Å; H11-K15 WeakPolarHBondContact O-CB 3.19Å; H11-K15 PolarHBondContact O-N 3.17Å; F13-K15 PolarHBondContact O-N 3.26Å
16H97.2Very high96.3Very high87 Ų8781.9 Ų81.940%0.40342%0.422SS..THydrogen-bonded Turntrans-120.1-46.2-172.4-58.5-59.8000112.7E12 L18 C19E12-H16 WeakPolarHBondContact O-CA 3.27Å; E12-H16 VanDerWaalsContact O-CB 3.3Å; E12-H16 WeakPolarHBondContact O-CB 3.47Å; E12-H16 PolarHBondContact O-N 3.08Å; E12-H16 IonicContact OE2-CD2 3.59Å; E12-H16 PolarHBondContact OE2-CD2 3.28Å; H16-L18 PolarHBondContact O-N 3.14Å; H16-C19 PolarHBondContact O-N 2.9Å
17G97.4Very high96.5Very high0 Ų083.4 Ų83.40%042%0.418CS..G310 helixtrans-61.8-41.2-177.400000114.4E12 F13 C19 A20 Y32E12-G17 PolarHBondContact O-N 2.94Å; E12-G17 VanDerWaalsContact O-N 3.13Å; F13-G17 CarbonylContact O-C 3.3Å; F13-G17 VanDerWaalsContact O-CA 3.27Å; F13-G17 WeakPolarHBondContact O-CA 3.5Å; F13-G17 PolarHBondContact O-N 2.95Å; G17-C19 PolarHBondContact O-N 3.44Å; G17-C19 VanDerWaalsContact O-N 3.17Å; G17-A20 PolarHBondContact O-N 3.11Å; G17-Y32 VanDerWaalsContact CA-CD2 3.47Å; G17-Y32 VanDerWaalsContact CA-CE2 3.44Å
18L97.8Very high96.6Very high89 Ų8982.4 Ų82.447%0.46641%0.41SS..G310 helixtrans-62.1-23179.1-70.7179.1000113.7F13 H16 A20 V21F13-L18 HydrophobicContact CE1-CD2 3.71Å; F13-L18 HydrophobicContact CE1-CG 4.19Å; F13-L18 HydrophobicContact CZ-CD2 3.71Å; F13-L18 HydrophobicContact CZ-CG 4.36Å; F13-L18 PolarHBondContact O-N 3.42Å; H16-L18 PolarHBondContact O-N 3.14Å; L18-A20 VanDerWaalsContact C-N 3.26Å; L18-A20 PolarHBondContact O-N 2.97Å; L18-V21 HydrophobicContact CD2-CG1 4.46Å; L18-V21 WeakPolarHBondContact O-CG1 3.45Å; L18-V21 WeakPolarHBondContact O-CG2 3.33Å
19C97.6Very high96.7Very high115 Ų11582.4 Ų82.478%0.77741%0.411SS*.G310 helixtrans-79.2-7.4176.2-62.60000113.6H16 G17H16-C19 PolarHBondContact O-N 2.9Å; G17-C19 PolarHBondContact O-N 3.44Å; G17-C19 VanDerWaalsContact O-N 3.17Å
20A95.9Very high96.8Very high36 Ų3684.9 Ų84.930%0.29842%0.422SS..G310 helixtrans-110.49.8-177.400000113G17 L18 E22 D23 V26G17-A20 PolarHBondContact O-N 3.11Å; L18-A20 VanDerWaalsContact C-N 3.26Å; L18-A20 PolarHBondContact O-N 2.97Å; A20-E22 PolarHBondContact O-N 3.33Å; A20-E22 VanDerWaalsContact O-N 3.08Å; A20-D23 VanDerWaalsContact O-CB 3.28Å; A20-D23 WeakPolarHBondContact O-CB 3.48Å; A20-D23 PolarHBondContact O-N 3.48Å; A20-V26 HydrophobicContact CB-CG2 3.69Å
21V95Very high96.8Very high64 Ų6479.6 Ų79.639%0.38840%0.401SS..THydrogen-bonded Turntrans-67.3-13.9-170-640000115.1L18 D23 F27L18-V21 HydrophobicContact CD2-CG1 4.46Å; L18-V21 WeakPolarHBondContact O-CG1 3.45Å; L18-V21 WeakPolarHBondContact O-CG2 3.33Å; V21-D23 PolarHBondContact O-N 3.44Å; V21-F27 WeakPolarHBondContact O-CA 3.47Å
22E95.8Very high96.9Very high176 Ų17677.7 Ų77.782%0.82239%0.39SS*.THydrogen-bonded Turntrans-69.6-19.7171.8-63-178.2172.800112.7A20 P24A20-E22 PolarHBondContact O-N 3.33Å; A20-E22 VanDerWaalsContact O-N 3.08Å; E22-P24 WeakPolarHBondContact O-CD 3.28Å
23D96.4Very high96.9Very high34 Ų3477.8 Ų77.818%0.18239%0.39CS..SBendtrans-82.5121178.8-174.6-42.9000110.9A20 V21 Q25 V26 F27 H106A20-D23 VanDerWaalsContact O-CB 3.28Å; A20-D23 WeakPolarHBondContact O-CB 3.48Å; A20-D23 PolarHBondContact O-N 3.48Å; V21-D23 PolarHBondContact O-N 3.44Å; D23-Q25 PolarHBondContact O-N 2.94Å; D23-Q25 PolarHBondContact OD1-N 2.87Å; D23-V26 HydrophobicContact CB-CG2 3.62Å; D23-V26 CarbonylContact O-C 3.58Å; D23-V26 PolarHBondContact O-N 2.95Å; D23-F27 WeakPolarHBondContact O-CA 3.31Å; D23-F27 WeakPolarHBondContact O-CB 3.41Å; D23-F27 PolarHBondContact O-N 2.98Å; D23-H106 IonicContact OD1-CE1 3.42Å; D23-H106 PolarHBondContact OD1-CE1 3.01Å; D23-H106 IonicContact OD1-NE2 3.38Å; D23-H106 IonicContact OD2-CD2 3.8Å; D23-H106 IonicContact OD2-CE1 3.21Å; D23-H106 PolarHBondContact OD2-CE1 3.13Å; D23-H106 IonicContact OD2-NE2 2.63Å; D23-H106 PolarHBondContact OD2-NE2 3.42Å
24P95.4Very high96.9Very high109 Ų10981.2 Ų81.271%0.70841%0.405SS*.THydrogen-bonded Turntrans-60.3-20.6-177.3-24.834.4000115.4E22 F27E22-P24 WeakPolarHBondContact O-CD 3.28Å; P24-F27 WeakPolarHBondContact O-CD1 3.27Å
25Q94.3Very high96.9Very high107 Ų10777.9 Ų77.950%0.539%0.389SS..THydrogen-bonded Turntrans-85.1-24.6178-66.1-169.452.500112.8D23 G31 F35 H106D23-Q25 PolarHBondContact O-N 2.94Å; D23-Q25 PolarHBondContact OD1-N 2.87Å; Q25-G31 CarbonylContact O-C 3.48Å; Q25-G31 VanDerWaalsContact O-CA 3.24Å; Q25-G31 WeakPolarHBondContact O-CA 3.47Å; Q25-F35 HydrophobicContact CB-CD2 4.39Å; Q25-H106 VanDerWaalsContact CD-CE1 3.49Å; Q25-H106 PolarHBondContact NE2-CE1 3.37Å; Q25-H106 PolarHBondContact NE2-ND1 3.49Å
26V95.9Very high96.8Very high9 Ų974 Ų746%0.05538%0.383CS..THydrogen-bonded Turntrans-124.320.5-177.6-58.50000113.4A20 D23 N28 F35A20-V26 HydrophobicContact CB-CG2 3.69Å; D23-V26 HydrophobicContact CB-CG2 3.62Å; D23-V26 CarbonylContact O-C 3.58Å; D23-V26 PolarHBondContact O-N 2.95Å; V26-N28 PolarHBondContact O-N 3.06Å; V26-F35 HydrophobicContact CG1-CB 3.5Å; V26-F35 HydrophobicContact CG1-CD1 4.01Å; V26-F35 HydrophobicContact CG1-CD2 4.3Å; V26-F35 HydrophobicContact CG1-CG 3.68Å
27F96.6Very high96.8Very high119 Ų11973.8 Ų73.852%0.52238%0.383SS..SBendtrans-58.8-15.9-176.878-80.7000115.6V21 D23 P24V21-F27 WeakPolarHBondContact O-CA 3.47Å; D23-F27 WeakPolarHBondContact O-CA 3.31Å; D23-F27 WeakPolarHBondContact O-CB 3.41Å; D23-F27 PolarHBondContact O-N 2.98Å; P24-F27 WeakPolarHBondContact O-CD1 3.27Å
28N97.3Very high96.8Very high56 Ų5678.5 Ų78.530%0.29941%0.405SS..SBendtrans-144.4175177.66833.5000111.1V26 Y30 G31 Y32V26-N28 PolarHBondContact O-N 3.06Å; N28-Y30 VanDerWaalsContact C-N 3.3Å; N28-Y30 PolarHBondContact O-N 3.42Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.25Å; N28-Y30 PolarHBondContact OD1-N 3.1Å; N28-Y30 VanDerWaalsContact OD1-N 3.09Å; N28-G31 PolarHBondContact O-N 2.84Å; N28-G31 PolarHBondContact OD1-N 3.38Å; N28-Y32 PolarHBondContact O-N 3.06Å
29Q97.3Very high96.7Very high104 Ų10476.3 Ų76.349%0.48639%0.394SS..Hα-helixtrans-55.5-43.4-178.4-169.3-178.422.400113.1F13 F33F13-Q29 HydrophobicContact CD1-CB 4.08Å; F13-Q29 HydrophobicContact CD1-CG 3.91Å; F13-Q29 HydrophobicContact CD2-CB 4.18Å; F13-Q29 HydrophobicContact CD2-CG 4.12Å; F13-Q29 HydrophobicContact CE1-CB 3.79Å; F13-Q29 HydrophobicContact CE1-CG 4.16Å; F13-Q29 HydrophobicContact CE2-CB 3.93Å; F13-Q29 HydrophobicContact CE2-CG 4.39Å; F13-Q29 HydrophobicContact CG-CB 4.26Å; F13-Q29 HydrophobicContact CG-CG 3.89Å; F13-Q29 HydrophobicContact CZ-CB 3.72Å; F13-Q29 HydrophobicContact CZ-CG 4.4Å; Q29-F33 HydrophobicContact CG-CD2 3.88Å; Q29-F33 HydrophobicContact CG-CE2 3.67Å; Q29-F33 WeakPolarHBondContact O-CD2 3.47Å; Q29-F33 PolarHBondContact O-N 3.43Å
30Y97.7Very high96.6Very high170 Ų17076.7 Ų76.767%0.66739%0.386SS*.Hα-helixtrans-64.4-46.6179.7174.3-101.3000111.6N28 F33 K34N28-Y30 VanDerWaalsContact C-N 3.3Å; N28-Y30 PolarHBondContact O-N 3.42Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.25Å; N28-Y30 PolarHBondContact OD1-N 3.1Å; N28-Y30 VanDerWaalsContact OD1-N 3.09Å; Y30-F33 PolarHBondContact O-N 2.86Å; Y30-K34 HydrophobicContact CE1-CD 3.97Å; Y30-K34 WeakPolarHBondContact O-CB 3.47Å; Y30-K34 PolarHBondContact O-N 3.3Å
31G97.7Very high96.6Very high7 Ų781 Ų817%0.07240%0.4CS..Hα-helixtrans-58.9-48.3176.600000112.1Q25 N28 F33 K34 F35Q25-G31 CarbonylContact O-C 3.48Å; Q25-G31 VanDerWaalsContact O-CA 3.24Å; Q25-G31 WeakPolarHBondContact O-CA 3.47Å; N28-G31 PolarHBondContact O-N 2.84Å; N28-G31 PolarHBondContact OD1-N 3.38Å; G31-F33 PolarHBondContact O-N 3Å; G31-K34 PolarHBondContact O-N 3.49Å; G31-F35 VanDerWaalsContact O-CB 3.27Å; G31-F35 WeakPolarHBondContact O-CB 3.46Å; G31-F35 PolarHBondContact O-N 2.99Å
32Y98Very high96.6Very high52 Ų5285.3 Ų85.320%0.20441%0.413CS..Hα-helixtrans-53.7-52.4178178.1-99000112.7E12 F13 G17 N28 G36E12-Y32 HydrophobicContact CB-CE1 4.43Å; F13-Y32 AromaticContact CD2-CD1 3.89Å; F13-Y32 HydrophobicContact CD2-CD1 3.89Å; F13-Y32 AromaticContact CD2-CG 3.95Å; F13-Y32 HydrophobicContact CD2-CG 3.95Å; F13-Y32 HydrophobicContact CE2-CG 4.46Å; G17-Y32 VanDerWaalsContact CA-CD2 3.47Å; G17-Y32 VanDerWaalsContact CA-CE2 3.44Å; N28-Y32 PolarHBondContact O-N 3.06Å; Y32-G36 PolarHBondContact O-N 3.41Å; Y32-G36 VanDerWaalsContact O-N 3.1Å
33F98Very high96.5Very high48 Ų4878.1 Ų78.121%0.21138%0.38CS..Hα-helixtrans-71.4-38.5179.9-73.1-63.4000113.1R9 F13 Q29 Y30 G31 F35 G36 I37R9-F33 HydrophobicContact CB-CE1 4.04Å; R9-F33 HydrophobicContact CB-CE2 4.37Å; R9-F33 HydrophobicContact CB-CZ 3.66Å; R9-F33 HydrophobicContact CG-CE1 3.88Å; R9-F33 HydrophobicContact CG-CZ 4.02Å; R9-F33 WeakPolarHBondContact O-CZ 3.48Å; F13-F33 HydrophobicContact CB-CE2 4.03Å; F13-F33 HydrophobicContact CB-CZ 4.03Å; Q29-F33 HydrophobicContact CG-CD2 3.88Å; Q29-F33 HydrophobicContact CG-CE2 3.67Å; Q29-F33 WeakPolarHBondContact O-CD2 3.47Å; Q29-F33 PolarHBondContact O-N 3.43Å; Y30-F33 PolarHBondContact O-N 2.86Å; G31-F33 PolarHBondContact O-N 3Å; F33-F35 VanDerWaalsContact C-N 3.34Å; F33-F35 PolarHBondContact O-N 3.21Å; F33-G36 PolarHBondContact O-N 3.42Å; F33-I37 WeakPolarHBondContact O-CB 3.47Å; F33-I37 WeakPolarHBondContact O-CD1 3.4Å; F33-I37 VanDerWaalsContact O-CG1 3.25Å; F33-I37 WeakPolarHBondContact O-CG1 3.45Å; F33-I37 PolarHBondContact O-N 3.42Å
34K98Very high96.4Very high98 Ų9880.2 Ų80.243%0.42639%0.392SS..Hα-helixtrans-59.4-47.6176.4-178.1-175.7175.2-171.60110.6Y30 G31 I37 Q38Y30-K34 HydrophobicContact CE1-CD 3.97Å; Y30-K34 WeakPolarHBondContact O-CB 3.47Å; Y30-K34 PolarHBondContact O-N 3.3Å; G31-K34 PolarHBondContact O-N 3.49Å; K34-I37 PolarHBondContact O-N 2.95Å; K34-Q38 WeakPolarHBondContact O-CB 3.3Å; K34-Q38 VanDerWaalsContact O-CG 3.3Å; K34-Q38 WeakPolarHBondContact O-CG 3.32Å; K34-Q38 PolarHBondContact O-N 2.63Å
35F97.3Very high96.3Very high38 Ų3877 Ų7717%0.16737%0.368CS..Hα-helixtrans-59.4-50.4178-179.4-92.7000111.5Q25 V26 G31 F33 I37 Q38 L39 L102 H106Q25-F35 HydrophobicContact CB-CD2 4.39Å; V26-F35 HydrophobicContact CG1-CB 3.5Å; V26-F35 HydrophobicContact CG1-CD1 4.01Å; V26-F35 HydrophobicContact CG1-CD2 4.3Å; V26-F35 HydrophobicContact CG1-CG 3.68Å; G31-F35 VanDerWaalsContact O-CB 3.27Å; G31-F35 WeakPolarHBondContact O-CB 3.46Å; G31-F35 PolarHBondContact O-N 2.99Å; F33-F35 VanDerWaalsContact C-N 3.34Å; F33-F35 PolarHBondContact O-N 3.21Å; F35-I37 VanDerWaalsContact C-N 3.35Å; F35-I37 PolarHBondContact O-N 2.86Å; F35-Q38 PolarHBondContact O-N 2.89Å; F35-L39 HydrophobicContact CE1-CD2 4.28Å; F35-L39 WeakPolarHBondContact O-CB 3.3Å; F35-L39 PolarHBondContact O-N 3.38Å; F35-L102 HydrophobicContact CE1-CD1 4.02Å; F35-L102 HydrophobicContact CZ-CD1 3.79Å; F35-H106 HydrophobicContact CE2-CB 3.97Å; F35-H106 AromaticContact CE2-CD2 3.66Å; F35-H106 AromaticContact CE2-CE1 3.99Å; F35-H106 AromaticContact CE2-CG 3.49Å; F35-H106 VanDerWaalsContact CE2-CG 3.49Å; F35-H106 AromaticContact CE2-ND1 3.73Å; F35-H106 AromaticContact CE2-NE2 3.95Å; F35-H106 HydrophobicContact CZ-CB 3.95Å; F35-H106 AromaticContact CZ-CD2 3.47Å; F35-H106 VanDerWaalsContact CZ-CD2 3.47Å; F35-H106 WeakPolarHBondContact CZ-CD2 3.45Å; F35-H106 AromaticContact CZ-CG 3.63Å
36G96.5Very high96.4Very high37 Ų3776 Ų7638%0.38137%0.366SS..Hα-helixtrans-59.1-42.2178.800000113.4Y32 F33 L39 M40Y32-G36 PolarHBondContact O-N 3.41Å; Y32-G36 VanDerWaalsContact O-N 3.1Å; F33-G36 PolarHBondContact O-N 3.42Å; G36-L39 PolarHBondContact O-N 2.97Å; G36-M40 WeakPolarHBondContact O-CB 3.3Å; G36-M40 PolarHBondContact O-N 3.24Å
37I97.4Very high96.4Very high81 Ų8182.4 Ų82.442%0.41539%0.393SS..Hα-helixtrans-66-45.1177.5-68.9165.6000111.2F33 K34 F35 L39 M40 Q41F33-I37 WeakPolarHBondContact O-CB 3.47Å; F33-I37 WeakPolarHBondContact O-CD1 3.4Å; F33-I37 VanDerWaalsContact O-CG1 3.25Å; F33-I37 WeakPolarHBondContact O-CG1 3.45Å; F33-I37 PolarHBondContact O-N 3.42Å; K34-I37 PolarHBondContact O-N 2.95Å; F35-I37 VanDerWaalsContact C-N 3.35Å; F35-I37 PolarHBondContact O-N 2.86Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 2.98Å; I37-M40 PolarHBondContact O-N 3Å; I37-Q41 WeakPolarHBondContact O-CG 3.33Å; I37-Q41 PolarHBondContact O-N 3.46Å
38Q97.1Very high96.4Very high100 Ų10077.5 Ų77.547%0.46737%0.373SS..Hα-helixtrans-62.8-41177.8-73.4179.3-39.700111.6K34 F35 Q41 K42K34-Q38 WeakPolarHBondContact O-CB 3.3Å; K34-Q38 VanDerWaalsContact O-CG 3.3Å; K34-Q38 WeakPolarHBondContact O-CG 3.32Å; K34-Q38 PolarHBondContact O-N 2.63Å; F35-Q38 PolarHBondContact O-N 2.89Å; Q38-Q41 PolarHBondContact O-N 3.48Å; Q38-K42 WeakPolarHBondContact O-CB 3.37Å; Q38-K42 PolarHBondContact O-N 3.27Å
39L95.9Very high96.4Very high42 Ų4275 Ų7522%0.2236%0.359CS..Hα-helixtrans-62.7-47175.9-175.964.3000111.4F35 G36 I37 Q41 K42 L43 L102 F108F35-L39 HydrophobicContact CE1-CD2 4.28Å; F35-L39 WeakPolarHBondContact O-CB 3.3Å; F35-L39 PolarHBondContact O-N 3.38Å; G36-L39 PolarHBondContact O-N 2.97Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 2.98Å; L39-Q41 VanDerWaalsContact C-N 3.32Å; L39-Q41 PolarHBondContact O-N 3.4Å; L39-K42 PolarHBondContact O-N 3.03Å; L39-L43 HydrophobicContact CD1-CD1 4.27Å; L39-L43 HydrophobicContact CD1-CG 4.25Å; L39-L43 HydrophobicContact CG-CD1 3.92Å; L39-L43 HydrophobicContact CG-CG 4.33Å; L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 VanDerWaalsContact O-CG 3.27Å; L39-L43 WeakPolarHBondContact O-CG 3.28Å; L39-L43 PolarHBondContact O-N 3.29Å; L39-L102 HydrophobicContact CD1-CD1 4.04Å; L39-L102 HydrophobicContact CD2-CD1 3.62Å; L39-L102 HydrophobicContact CG-CD1 4.48Å; L39-F108 HydrophobicContact CD1-CE1 4.45Å
40M95.5Very high96.4Very high124 Ų12475 Ų7561%0.61136%0.36SS*.Hα-helixtrans-56.8-45.2176.5-177.4-161.572.200111.8G36 I37 N44G36-M40 WeakPolarHBondContact O-CB 3.3Å; G36-M40 PolarHBondContact O-N 3.24Å; I37-M40 PolarHBondContact O-N 3Å; M40-N44 PolarHBondContact O-N 3.17Å; M40-N44 VanDerWaalsContact O-N 3.09Å
41Q96Very high96.3Very high127 Ų12773.4 Ų73.459%0.59336%0.357SS*.Hα-helixtrans-63.9-42.7178-72.5174.8-8.800112.2I37 Q38 L39I37-Q41 WeakPolarHBondContact O-CG 3.33Å; I37-Q41 PolarHBondContact O-N 3.46Å; Q38-Q41 PolarHBondContact O-N 3.48Å; L39-Q41 VanDerWaalsContact C-N 3.32Å; L39-Q41 PolarHBondContact O-N 3.4Å
42K93.8Very high96.3Very high154 Ų15475.3 Ų75.367%0.6736%0.362SS*.Hα-helixtrans-64.9-43.9178.3-177.4-178.3177-174.60112Q38 L39Q38-K42 WeakPolarHBondContact O-CB 3.37Å; Q38-K42 PolarHBondContact O-N 3.27Å; L39-K42 PolarHBondContact O-N 3.03Å
43L93.9Very high96.3Very high25 Ų2582.7 Ų82.713%0.13139%0.39CS..Hα-helixtrans-64.9-40.3179.7-72.7172.9000112.1L39 L45 T48 F75 V100 F108L39-L43 HydrophobicContact CD1-CD1 4.27Å; L39-L43 HydrophobicContact CD1-CG 4.25Å; L39-L43 HydrophobicContact CG-CD1 3.92Å; L39-L43 HydrophobicContact CG-CG 4.33Å; L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 VanDerWaalsContact O-CG 3.27Å; L39-L43 WeakPolarHBondContact O-CG 3.28Å; L39-L43 PolarHBondContact O-N 3.29Å; L43-L45 PolarHBondContact O-N 3.49Å; L43-L45 VanDerWaalsContact O-N 3.1Å; L43-T48 PolarHBondContact O-OG1 2.05Å; L43-F75 HydrophobicContact CD2-CD1 3.88Å; L43-F75 HydrophobicContact CD2-CE1 3.26Å; L43-F75 HydrophobicContact CD2-CE2 4.45Å; L43-F75 HydrophobicContact CD2-CZ 3.6Å; L43-V100 HydrophobicContact CD1-CG2 4.18Å; L43-V100 HydrophobicContact CD2-CG1 4.34Å; L43-V100 HydrophobicContact CD2-CG2 4.24Å; L43-F108 HydrophobicContact CD2-CE1 3.61Å; L43-F108 HydrophobicContact CD2-CZ 3.55Å
44N93.9Very high96.3Very high78 Ų7880.4 Ų80.442%0.41738%0.38SS..  trans42.746.5-177.3-159.8-11.9000112.9M40 L46 K47 T48M40-N44 PolarHBondContact O-N 3.17Å; M40-N44 VanDerWaalsContact O-N 3.09Å; N44-L46 VanDerWaalsContact C-N 3.31Å; N44-L46 PolarHBondContact O-N 3.38Å; N44-K47 WeakPolarHBondContact ND2-CD 3.27Å; N44-K47 PolarHBondContact O-N 2.95Å; N44-K47 WeakPolarHBondContact OD1-CB 3.44Å; N44-T48 PolarHBondContact O-N 2.85Å; N44-T48 PolarHBondContact O-OG1 3.09Å
45L95.1Very high96.2Very high42 Ų4277.1 Ų77.122%0.2237%0.369CS..Hα-helixtrans-56.8-42.3-162-178.363.3000112.9L43 K47 T48 L49 L71 F75 V98L43-L45 PolarHBondContact O-N 3.49Å; L43-L45 VanDerWaalsContact O-N 3.1Å; L45-K47 PolarHBondContact O-N 3.35Å; L45-T48 WeakPolarHBondContact O-CB 3.21Å; L45-T48 PolarHBondContact O-N 2.9Å; L45-L49 HydrophobicContact CD1-CD1 4.42Å; L45-L49 HydrophobicContact CD1-CD2 4.43Å; L45-L49 HydrophobicContact CD1-CG 4.15Å; L45-L49 HydrophobicContact CG-CD1 4.12Å; L45-L49 HydrophobicContact CG-CG 4.26Å; L45-L49 VanDerWaalsContact O-CG 3.31Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 3.22Å; L45-L71 HydrophobicContact CD1-CD2 3.81Å; L45-F75 HydrophobicContact CD1-CE2 4.28Å; L45-F75 HydrophobicContact CD1-CZ 4.25Å; L45-V98 HydrophobicContact CD1-CG1 4.44Å; L45-V98 HydrophobicContact CD2-CB 3.66Å; L45-V98 HydrophobicContact CD2-CG1 3.68Å; L45-V98 HydrophobicContact CD2-CG2 4.25Å
46L95.8Very high96.2Very high86 Ų8677.7 Ų77.745%0.4538%0.377SS..Hα-helixtrans-59.6-46.8178.9177.860.1000111.9N44 T48 L49 M50 P56 F123N44-L46 VanDerWaalsContact C-N 3.31Å; N44-L46 PolarHBondContact O-N 3.38Å; L46-T48 VanDerWaalsContact C-N 3.28Å; L46-T48 PolarHBondContact O-N 3.09Å; L46-L49 PolarHBondContact O-N 3.19Å; L46-M50 HydrophobicContact CD1-CG 4.17Å; L46-M50 HydrophobicContact CD1-SD 3.98Å; L46-M50 HydrophobicContact CG-SD 3.93Å; L46-M50 WeakPolarHBondContact O-CB 3.1Å; L46-M50 VanDerWaalsContact O-CG 3.26Å; L46-M50 WeakPolarHBondContact O-CG 3.36Å; L46-M50 PolarHBondContact O-N 2.79Å; L46-P56 HydrophobicContact CD1-CG 4.2Å; L46-F123 HydrophobicContact CD1-CE1 4.02Å; L46-F123 HydrophobicContact CD1-CZ 4.01Å
47K96.5Very high96.1Very high143 Ų14378.9 Ų78.962%0.62237%0.372SS*.Hα-helixtrans-62.6-40.5178-172-179.4-179.1-179.90110.8N44 L45 M50 K51N44-K47 WeakPolarHBondContact ND2-CD 3.27Å; N44-K47 PolarHBondContact O-N 2.95Å; N44-K47 WeakPolarHBondContact OD1-CB 3.44Å; L45-K47 PolarHBondContact O-N 3.35Å; K47-M50 PolarHBondContact O-N 3.37Å; K47-K51 PolarHBondContact O-N 3.31Å
48T95.5Very high95.7Very high16 Ų1679.9 Ų79.910%0.09838%0.378CS..Hα-helixtrans-60.7-50.1175.5-59.10000111.2L43 N44 L45 L46 M50 K51 Y52 V70 E74L43-T48 PolarHBondContact O-OG1 2.05Å; N44-T48 PolarHBondContact O-N 2.85Å; N44-T48 PolarHBondContact O-OG1 3.09Å; L45-T48 WeakPolarHBondContact O-CB 3.21Å; L45-T48 PolarHBondContact O-N 2.9Å; L46-T48 VanDerWaalsContact C-N 3.28Å; L46-T48 PolarHBondContact O-N 3.09Å; T48-M50 VanDerWaalsContact C-N 3.34Å; T48-M50 PolarHBondContact O-N 2.89Å; T48-K51 WeakPolarHBondContact O-CB 3.44Å; T48-K51 PolarHBondContact O-N 3.42Å; T48-Y52 VanDerWaalsContact O-CD2 3.31Å; T48-Y52 WeakPolarHBondContact O-CD2 3.29Å; T48-Y52 PolarHBondContact O-N 3.41Å; T48-V70 HydrophobicContact CG2-CG1 4.5Å; T48-E74 HydrophobicContact CG2-CB 3.89Å; T48-E74 HydrophobicContact CG2-CG 3.45Å; T48-E74 VanDerWaalsContact CG2-CG 3.45Å
49L97.2Very high95.3Very high4 Ų478.7 Ų78.72%0.02138%0.381CS..Hα-helixtrans-60.3-43.5177.6-67.7179.7000112L45 L46 K51 Y52 R53 I54 L67 V70L45-L49 HydrophobicContact CD1-CD1 4.42Å; L45-L49 HydrophobicContact CD1-CD2 4.43Å; L45-L49 HydrophobicContact CD1-CG 4.15Å; L45-L49 HydrophobicContact CG-CD1 4.12Å; L45-L49 HydrophobicContact CG-CG 4.26Å; L45-L49 VanDerWaalsContact O-CG 3.31Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 3.22Å; L46-L49 PolarHBondContact O-N 3.19Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 3.49Å; L49-Y52 CarbonylContact O-C 3.45Å; L49-Y52 WeakPolarHBondContact O-CA 3.03Å; L49-Y52 PolarHBondContact O-N 3.14Å; L49-R53 PolarHBondContact O-N 2.81Å; L49-I54 CarbonylContact C-O 3.56Å; L49-I54 HydrophobicContact CB-CB 4.13Å; L49-I54 HydrophobicContact CB-CG2 4.38Å; L49-I54 WeakPolarHBondContact CB-O 3.27Å; L49-I54 HydrophobicContact CD2-CD1 4.39Å; L49-I54 PolarHBondContact O-N 2.97Å; L49-I54 VanDerWaalsContact O-O 3.11Å; L49-L67 HydrophobicContact CD1-CD1 4.47Å; L49-L67 HydrophobicContact CD2-CD1 3.39Å; L49-V70 HydrophobicContact CD2-CG1 4.11Å
50M96.9Very high95.3Very high103 Ų10382.1 Ų82.151%0.50739%0.391SS..Hα-helixtrans-63.9-36.6178.9-71.4175.168.100112.6L46 K47 T48 Y52 R53 I54L46-M50 HydrophobicContact CD1-CG 4.17Å; L46-M50 HydrophobicContact CD1-SD 3.98Å; L46-M50 HydrophobicContact CG-SD 3.93Å; L46-M50 WeakPolarHBondContact O-CB 3.1Å; L46-M50 VanDerWaalsContact O-CG 3.26Å; L46-M50 WeakPolarHBondContact O-CG 3.36Å; L46-M50 PolarHBondContact O-N 2.79Å; K47-M50 PolarHBondContact O-N 3.37Å; T48-M50 VanDerWaalsContact C-N 3.34Å; T48-M50 PolarHBondContact O-N 2.89Å; M50-Y52 PolarHBondContact O-N 2.91Å; M50-R53 PolarHBondContact O-N 2.94Å; M50-I54 WeakPolarHBondContact CA-O 3.47Å; M50-I54 PolarHBondContact N-O 2.83Å
51K97Very high95.3Very high137 Ų13781.7 Ų81.760%0.59639%0.387SS*.Hα-helixtrans-56.5-32.8172.3173.8-169.3171.3-163.70111.8K47 T48 L49 E74K47-K51 PolarHBondContact O-N 3.31Å; T48-K51 WeakPolarHBondContact O-CB 3.44Å; T48-K51 PolarHBondContact O-N 3.42Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 3.49Å; K51-E74 IonicContact NZ-OE1 2.8Å; K51-E74 PolarHBondContact NZ-OE1 3.45Å; K51-E74 IonicContact NZ-OE2 3.6Å
52Y97.2Very high95.3Very high46 Ų4676.3 Ų76.318%0.1836%0.362CS..THydrogen-bonded Turntrans-9721175-68.1-86.7000114T48 L49 M50 I54 V70 R73 E74T48-Y52 VanDerWaalsContact O-CD2 3.31Å; T48-Y52 WeakPolarHBondContact O-CD2 3.29Å; T48-Y52 PolarHBondContact O-N 3.41Å; L49-Y52 CarbonylContact O-C 3.45Å; L49-Y52 WeakPolarHBondContact O-CA 3.03Å; L49-Y52 PolarHBondContact O-N 3.14Å; M50-Y52 PolarHBondContact O-N 2.91Å; Y52-I54 PolarHBondContact O-N 3.18Å; Y52-V70 VanDerWaalsContact CB-CG2 3.47Å; Y52-V70 HydrophobicContact CD1-CG2 3.89Å; Y52-V70 HydrophobicContact CD2-CB 4.42Å; Y52-V70 HydrophobicContact CD2-CG1 3.56Å; Y52-V70 HydrophobicContact CD2-CG2 4.04Å; Y52-V70 HydrophobicContact CE2-CG1 4.11Å; Y52-V70 HydrophobicContact CG-CB 4.38Å; Y52-V70 HydrophobicContact CG-CG1 3.94Å; Y52-V70 HydrophobicContact CG-CG2 3.54Å; Y52-R73 WeakPolarHBondContact OH-CD 3.24Å; Y52-R73 PolarHBondContact OH-NH1 3.43Å; Y52-E74 HydrophobicContact CE2-CG 3.64Å; Y52-E74 WeakPolarHBondContact CE2-OE1 3.24Å; Y52-E74 PolarHBondContact OH-OE1 2.94Å
53R97.3Very high95.5Very high207 Ų20772.4 Ų72.478%0.78135%0.348SS*.THydrogen-bonded Turntrans63.417.8176.7-51.2179177.6175.9-1.4114.4L49 M50 Y62L49-R53 PolarHBondContact O-N 2.81Å; M50-R53 PolarHBondContact O-N 2.94Å; R53-Y62 VanDerWaalsContact O-CE1 3.28Å; R53-Y62 WeakPolarHBondContact O-CE1 3.46Å
54I97.6Very high95.7Very high0 Ų072.2 Ų72.20%035%0.348CS..  trans-93.5101.5167.2-56175.6000107.2L49 M50 Y52 Y62 L67 V70 F123L49-I54 CarbonylContact C-O 3.56Å; L49-I54 HydrophobicContact CB-CB 4.13Å; L49-I54 HydrophobicContact CB-CG2 4.38Å; L49-I54 WeakPolarHBondContact CB-O 3.27Å; L49-I54 HydrophobicContact CD2-CD1 4.39Å; L49-I54 PolarHBondContact O-N 2.97Å; L49-I54 VanDerWaalsContact O-O 3.11Å; M50-I54 WeakPolarHBondContact CA-O 3.47Å; M50-I54 PolarHBondContact N-O 2.83Å; Y52-I54 PolarHBondContact O-N 3.18Å; I54-Y62 HydrophobicContact CB-CD1 4.4Å; I54-Y62 HydrophobicContact CB-CE1 4.31Å; I54-Y62 HydrophobicContact CG1-CD1 4.07Å; I54-Y62 HydrophobicContact CG1-CE1 4.32Å; I54-Y62 HydrophobicContact CG2-CD1 4.24Å; I54-Y62 HydrophobicContact CG2-CD2 4.47Å; I54-Y62 HydrophobicContact CG2-CE1 4.34Å; I54-Y62 HydrophobicContact CG2-CG 4.29Å; I54-L67 HydrophobicContact CD1-CB 4.24Å; I54-L67 HydrophobicContact CD1-CD1 4.18Å; I54-V70 HydrophobicContact CD1-CG2 4.19Å; I54-F123 HydrophobicContact CG2-CD1 4.3Å
55S96.8Very high95.8Very high30 Ų3074.2 Ų74.221%0.2136%0.358CS..  trans-132153.8-171.758.60000109.9H57 Y62S55-H57 PolarHBondContact O-N 3.44Å; S55-Y62 PolarHBondContact N-OH 3.41Å; S55-Y62 PolarHBondContact O-OH 3.2Å; S55-Y62 PolarHBondContact OG-OH 3.46Å
56P96.9Very high95.9Very high49 Ų4975.4 Ų75.432%0.31837%0.365SS..  trans-58131.8174.8-19.729.6000111.7L46 F123 P125L46-P56 HydrophobicContact CD1-CG 4.2Å; P56-F123 CarbonylContact C-O 3.59Å; P56-F123 WeakPolarHBondContact CA-O 3.39Å; P56-F123 HydrophobicContact CB-CE1 4.46Å; P56-F123 HydrophobicContact CG-CD1 4.2Å; P56-F123 HydrophobicContact CG-CE1 3.69Å; P56-F123 HydrophobicContact CG-CE2 4.4Å; P56-F123 HydrophobicContact CG-CZ 3.8Å; P56-P125 HydrophobicContact CB-CB 4.19Å
57H94.7Very high96Very high63 Ų6371.3 Ų71.329%0.29234%0.343SS..  trans-160.7139.9-177.4-165.8-53.5000111.3S55 S59 R60 I122 F123S55-H57 PolarHBondContact O-N 3.44Å; H57-S59 PolarHBondContact ND1-N 3.06Å; H57-S59 PolarHBondContact O-N 3.1Å; H57-R60 HydrophobicContact CB-CB 3.84Å; H57-R60 PolarHBondContact ND1-N 3.24Å; H57-I122 WeakPolarHBondContact O-CG2 3.36Å; H57-F123 PolarHBondContact N-O 3.39Å; H57-F123 VanDerWaalsContact O-O 3.12Å
58D88.5Confident96.1Very high101 Ų10166.4 Ų66.454%0.5432%0.323SS..SBendtrans-65-33.8-172.1-66.7-45.7000115.9P125D58-P125 VanDerWaalsContact OD1-CD 3.26Å; D58-P125 WeakPolarHBondContact OD1-CD 3.02Å; D58-P125 WeakPolarHBondContact OD1-CG 3.05Å
59S90.1Very high96.1Very high75 Ų7569.7 Ų69.752%0.52434%0.34SS..SBendtrans-133.5-12.6-170.458.20000114.9H57 Q61H57-S59 PolarHBondContact ND1-N 3.06Å; H57-S59 PolarHBondContact O-N 3.1Å; S59-Q61 PolarHBondContact O-N 3.04Å
60R94.5Very high96.1Very high115 Ų11569.6 Ų69.643%0.43434%0.339SS..  trans-67.9129-179-171.8-177.8-65.4177.52.6109.8H57 Y62H57-R60 HydrophobicContact CB-CB 3.84Å; H57-R60 PolarHBondContact ND1-N 3.24Å; R60-Y62 HydrophobicContact CB-CE2 4.39Å; R60-Y62 WeakPolarHBondContact CD-OH 3.26Å; R60-Y62 HydrophobicContact CG-CE1 4.4Å; R60-Y62 HydrophobicContact CG-CE2 4.33Å
61Q95.2Very high96.1Very high114 Ų11464.8 Ų64.853%0.53332%0.316SS..EExtended strand (participates in β ladder)trans-93.4138.6173.6-69.5-177.355.200110.6S59 K120 F121 I122S59-Q61 PolarHBondContact O-N 3.04Å; Q61-K120 HydrophobicContact CB-CB 4.33Å; Q61-K120 HydrophobicContact CB-CD 4.32Å; Q61-F121 CarbonylContact C-O 3.44Å; Q61-F121 VanDerWaalsContact CA-O 3.29Å; Q61-F121 WeakPolarHBondContact CA-O 3.44Å; Q61-I122 HydrophobicContact CG-CG1 4.02Å
62Y97.6Very high96.1Very high14 Ų1463.1 Ų63.16%0.05531%0.31CS..EExtended strand (participates in β ladder)trans-115.9142.7176.6-65.4-76.1000109.6R53 I54 S55 R60 K120 F121 F123R53-Y62 VanDerWaalsContact O-CE1 3.28Å; R53-Y62 WeakPolarHBondContact O-CE1 3.46Å; I54-Y62 HydrophobicContact CB-CD1 4.4Å; I54-Y62 HydrophobicContact CB-CE1 4.31Å; I54-Y62 HydrophobicContact CG1-CD1 4.07Å; I54-Y62 HydrophobicContact CG1-CE1 4.32Å; I54-Y62 HydrophobicContact CG2-CD1 4.24Å; I54-Y62 HydrophobicContact CG2-CD2 4.47Å; I54-Y62 HydrophobicContact CG2-CE1 4.34Å; I54-Y62 HydrophobicContact CG2-CG 4.29Å; S55-Y62 PolarHBondContact N-OH 3.41Å; S55-Y62 PolarHBondContact O-OH 3.2Å; S55-Y62 PolarHBondContact OG-OH 3.46Å; R60-Y62 HydrophobicContact CB-CE2 4.39Å; R60-Y62 WeakPolarHBondContact CD-OH 3.26Å; R60-Y62 HydrophobicContact CG-CE1 4.4Å; R60-Y62 HydrophobicContact CG-CE2 4.33Å; Y62-K120 CarbonylContact O-C 3.59Å; Y62-K120 VanDerWaalsContact O-CA 3.22Å; Y62-K120 WeakPolarHBondContact O-CA 3.27Å; Y62-F121 HydrophobicContact CD2-CE2 4.21Å; Y62-F121 HydrophobicContact CG-CE2 4.39Å; Y62-F121 HydrophobicContact CG-CZ 4.37Å; Y62-F121 PolarHBondContact N-O 2.98Å; Y62-F121 WeakPolarHBondContact O-CD1 3.4Å; Y62-F121 PolarHBondContact O-N 3.36Å; Y62-F123 HydrophobicContact CD2-CB 4.24Å; Y62-F123 HydrophobicContact CE2-CB 4.13Å
63D97.3Very high96.1Very high72 Ų7269.8 Ų69.839%0.38534%0.335SS..EExtended strand (participates in β ladder)trans-77.8130.2173.3-64.7-64.8000110.5I65 N66 L67 K119 K120D63-I65 HydrophobicContact CB-CG2 4.1Å; D63-I65 PolarHBondContact O-N 3.17Å; D63-N66 HydrophobicContact CB-CB 4.3Å; D63-N66 WeakPolarHBondContact O-CB 3.46Å; D63-N66 PolarHBondContact O-N 3.2Å; D63-L67 PolarHBondContact O-N 3.28Å; D63-K119 WeakPolarHBondContact CA-O 3.41Å; D63-K120 WeakPolarHBondContact OD1-CE 3.22Å; D63-K120 WeakPolarHBondContact OD1-CG 3.42Å
64T97.3Very high96Very high22 Ų2263 Ų6314%0.13531%0.312CS..Hα-helixtrans-58.9-36.6177.7-63.60000111.9N66 L67 M68 C117 P118 K119 F121T64-N66 VanDerWaalsContact C-N 3.26Å; T64-N66 PolarHBondContact O-N 2.77Å; T64-L67 WeakPolarHBondContact O-CB 3.31Å; T64-L67 PolarHBondContact O-N 3.43Å; T64-L67 VanDerWaalsContact O-N 3.15Å; T64-M68 HydrophobicContact CG2-CE 4.5Å; T64-M68 HydrophobicContact CG2-CG 4.33Å; T64-M68 WeakPolarHBondContact O-CG 3.2Å; T64-M68 PolarHBondContact O-N 2.85Å; T64-C117 HydrophobicContact CG2-CB 3.92Å; T64-P118 WeakPolarHBondContact CB-O 3.4Å; T64-P118 PolarHBondContact OG1-O 3.33Å; T64-K119 PolarHBondContact N-O 2.92Å; T64-F121 WeakPolarHBondContact OG1-CD1 3.47Å
65I96.9Very high95.8Very high120 Ų12064.1 Ų64.162%0.61532%0.317SS*.Hα-helixtrans-61.9-34.9175.6-164.8162.9000112.1D63 M68 N69D63-I65 HydrophobicContact CB-CG2 4.1Å; D63-I65 PolarHBondContact O-N 3.17Å; I65-M68 PolarHBondContact O-N 3.39Å; I65-N69 WeakPolarHBondContact O-CB 3.39Å; I65-N69 PolarHBondContact O-N 3.49Å; I65-N69 PolarHBondContact O-ND2 2.76Å; I65-N69 PolarHBondContact O-OD1 3.34Å
66N97.6Very high95.8Very high67 Ų6765.2 Ų65.236%0.35833%0.333SS..Hα-helixtrans-68.3-41.7176-171.637.3000110.9D63 T64 N69 V70D63-N66 HydrophobicContact CB-CB 4.3Å; D63-N66 WeakPolarHBondContact O-CB 3.46Å; D63-N66 PolarHBondContact O-N 3.2Å; T64-N66 VanDerWaalsContact C-N 3.26Å; T64-N66 PolarHBondContact O-N 2.77Å; N66-N69 PolarHBondContact O-N 2.91Å; N66-V70 VanDerWaalsContact O-CG2 3.3Å; N66-V70 WeakPolarHBondContact O-CG2 3.4Å; N66-V70 PolarHBondContact O-N 3.28Å
67L97.8Very high95.8Very high0 Ų067.6 Ų67.60%034%0.337CS..Hα-helixtrans-59.2-48.6173.3177.562.9000111.2L49 I54 D63 T64 N69 V70 L71 A81 L95 V98 F121L49-L67 HydrophobicContact CD1-CD1 4.47Å; L49-L67 HydrophobicContact CD2-CD1 3.39Å; I54-L67 HydrophobicContact CD1-CB 4.24Å; I54-L67 HydrophobicContact CD1-CD1 4.18Å; D63-L67 PolarHBondContact O-N 3.28Å; T64-L67 WeakPolarHBondContact O-CB 3.31Å; T64-L67 PolarHBondContact O-N 3.43Å; T64-L67 VanDerWaalsContact O-N 3.15Å; L67-N69 VanDerWaalsContact C-N 3.35Å; L67-N69 PolarHBondContact O-N 3.36Å; L67-V70 PolarHBondContact O-N 2.78Å; L67-V70 VanDerWaalsContact O-N 3.17Å; L67-L71 HydrophobicContact CD1-CG 4.47Å; L67-L71 HydrophobicContact CG-CD1 4.36Å; L67-L71 WeakPolarHBondContact O-CG 3.08Å; L67-L71 PolarHBondContact O-N 2.92Å; L67-L71 VanDerWaalsContact O-N 3.08Å; L67-A81 HydrophobicContact CD2-CB 3.67Å; L67-L95 HydrophobicContact CD2-CD1 3.97Å; L67-L95 HydrophobicContact CD2-CD2 4.23Å; L67-V98 HydrophobicContact CD2-CG2 4.46Å; L67-F121 HydrophobicContact CB-CE1 4.05Å; L67-F121 HydrophobicContact CB-CZ 4.03Å; L67-F121 HydrophobicContact CD2-CE1 4.04Å; L67-F121 HydrophobicContact CD2-CZ 3.78Å; L67-F121 HydrophobicContact CG-CZ 4.41Å
68M97.3Very high95.9Very high40 Ų4066.7 Ų66.720%0.19733%0.334CS..Hα-helixtrans-60.8-43.8-179.9-64.2-57101.400111.8T64 I65 V70 L71 E72 A81T64-M68 HydrophobicContact CG2-CE 4.5Å; T64-M68 HydrophobicContact CG2-CG 4.33Å; T64-M68 WeakPolarHBondContact O-CG 3.2Å; T64-M68 PolarHBondContact O-N 2.85Å; I65-M68 PolarHBondContact O-N 3.39Å; M68-V70 VanDerWaalsContact C-N 3.3Å; M68-V70 PolarHBondContact O-N 2.68Å; M68-L71 HydrophobicContact CE-CD1 3.86Å; M68-L71 PolarHBondContact O-N 2.83Å; M68-E72 PolarHBondContact O-N 3.28Å; M68-A81 HydrophobicContact CE-CB 3.54Å
69N97.4Very high96.2Very high84 Ų8461.9 Ų61.945%0.44931%0.308SS..Hα-helixtrans-62.1-35.9176.7-69.1-8.7000112.4I65 N66 L67 R73I65-N69 WeakPolarHBondContact O-CB 3.39Å; I65-N69 PolarHBondContact O-N 3.49Å; I65-N69 PolarHBondContact O-ND2 2.76Å; I65-N69 PolarHBondContact O-OD1 3.34Å; N66-N69 PolarHBondContact O-N 2.91Å; L67-N69 VanDerWaalsContact C-N 3.35Å; L67-N69 PolarHBondContact O-N 3.36Å; N69-R73 WeakPolarHBondContact O-CB 3.28Å; N69-R73 PolarHBondContact O-N 3.38Å
70V97.3Very high96.6Very high3 Ų358.6 Ų58.62%0.01829%0.285CS..Hα-helixtrans-65.8-44.1175.5168.60000111.1T48 L49 Y52 I54 N66 L67 M68 R73 E74T48-V70 HydrophobicContact CG2-CG1 4.5Å; L49-V70 HydrophobicContact CD2-CG1 4.11Å; Y52-V70 VanDerWaalsContact CB-CG2 3.47Å; Y52-V70 HydrophobicContact CD1-CG2 3.89Å; Y52-V70 HydrophobicContact CD2-CB 4.42Å; Y52-V70 HydrophobicContact CD2-CG1 3.56Å; Y52-V70 HydrophobicContact CD2-CG2 4.04Å; Y52-V70 HydrophobicContact CE2-CG1 4.11Å; Y52-V70 HydrophobicContact CG-CB 4.38Å; Y52-V70 HydrophobicContact CG-CG1 3.94Å; Y52-V70 HydrophobicContact CG-CG2 3.54Å; I54-V70 HydrophobicContact CD1-CG2 4.19Å; N66-V70 VanDerWaalsContact O-CG2 3.3Å; N66-V70 WeakPolarHBondContact O-CG2 3.4Å; N66-V70 PolarHBondContact O-N 3.28Å; L67-V70 PolarHBondContact O-N 2.78Å; L67-V70 VanDerWaalsContact O-N 3.17Å; M68-V70 VanDerWaalsContact C-N 3.3Å; M68-V70 PolarHBondContact O-N 2.68Å; V70-R73 PolarHBondContact O-N 3.25Å; V70-E74 WeakPolarHBondContact O-CB 3.19Å; V70-E74 WeakPolarHBondContact O-CG 3.45Å; V70-E74 PolarHBondContact O-N 2.83Å
71L96.3Very high96.7Very high1 Ų153.2 Ų53.21%0.00527%0.266CS..Hα-helixtrans-63-46177.5-59.5174.4000110.7L45 L67 M68 R73 E74 F75 V98L45-L71 HydrophobicContact CD1-CD2 3.81Å; L67-L71 HydrophobicContact CD1-CG 4.47Å; L67-L71 HydrophobicContact CG-CD1 4.36Å; L67-L71 WeakPolarHBondContact O-CG 3.08Å; L67-L71 PolarHBondContact O-N 2.92Å; L67-L71 VanDerWaalsContact O-N 3.08Å; M68-L71 HydrophobicContact CE-CD1 3.86Å; M68-L71 PolarHBondContact O-N 2.83Å; L71-R73 PolarHBondContact O-N 3.35Å; L71-E74 PolarHBondContact O-N 2.88Å; L71-F75 HydrophobicContact CB-CD2 4.25Å; L71-F75 HydrophobicContact CD2-CD2 4.32Å; L71-F75 HydrophobicContact CD2-CE2 3.75Å; L71-F75 WeakPolarHBondContact O-CB 3.42Å; L71-F75 WeakPolarHBondContact O-CD2 3.46Å; L71-F75 PolarHBondContact O-N 3.06Å; L71-V98 HydrophobicContact CD1-CG1 3.75Å; L71-V98 HydrophobicContact CD2-CG1 3.81Å; L71-V98 HydrophobicContact CG-CG1 4.46Å
72E96.8Very high96.8Very high102 Ų10249.5 Ų49.548%0.47725%0.249SC..Hα-helixtrans-62-42.3177.3-169.9173.8-17400112.3M68 E74 G76 Y77M68-E72 PolarHBondContact O-N 3.28Å; E72-E74 PolarHBondContact O-N 2.74Å; E72-G76 CarbonylContact O-C 3.53Å; E72-G76 WeakPolarHBondContact O-CA 3.23Å; E72-G76 PolarHBondContact O-N 3.37Å; E72-Y77 VanDerWaalsContact CA-O 3.25Å; E72-Y77 WeakPolarHBondContact CA-O 3.28Å
73R97.1Very high96.8Very high186 Ų18649 Ų4970%0.70225%0.248SC*.Hα-helixtrans-66.1-38.3178.7-172.5171.9-159.6-121.97.5113.4Y52 N69 V70 L71Y52-R73 WeakPolarHBondContact OH-CD 3.24Å; Y52-R73 PolarHBondContact OH-NH1 3.43Å; N69-R73 WeakPolarHBondContact O-CB 3.28Å; N69-R73 PolarHBondContact O-N 3.38Å; V70-R73 PolarHBondContact O-N 3.25Å; L71-R73 PolarHBondContact O-N 3.35Å
74E95.1Very high96.7Very high64 Ų6448.9 Ų48.930%0.29925%0.246SC..Hα-helixtrans-88.3-28.2-173.7-69-78.8143.200112.8T48 K51 Y52 V70 L71 E72T48-E74 HydrophobicContact CG2-CB 3.89Å; T48-E74 HydrophobicContact CG2-CG 3.45Å; T48-E74 VanDerWaalsContact CG2-CG 3.45Å; K51-E74 IonicContact NZ-OE1 2.8Å; K51-E74 PolarHBondContact NZ-OE1 3.45Å; K51-E74 IonicContact NZ-OE2 3.6Å; Y52-E74 HydrophobicContact CE2-CG 3.64Å; Y52-E74 WeakPolarHBondContact CE2-OE1 3.24Å; Y52-E74 PolarHBondContact OH-OE1 2.94Å; V70-E74 WeakPolarHBondContact O-CB 3.19Å; V70-E74 WeakPolarHBondContact O-CG 3.45Å; V70-E74 PolarHBondContact O-N 2.83Å; L71-E74 PolarHBondContact O-N 2.88Å; E72-E74 PolarHBondContact O-N 2.74Å
75F93.2Very high96.4Very high24 Ų2456.1 Ų56.111%0.10527%0.271CS..Hα-helixtrans-107.2-12.1-179.3-53.7-53.5000113.8L43 L45 L71 Y77 V100 F108L43-F75 HydrophobicContact CD2-CD1 3.88Å; L43-F75 HydrophobicContact CD2-CE1 3.26Å; L43-F75 HydrophobicContact CD2-CE2 4.45Å; L43-F75 HydrophobicContact CD2-CZ 3.6Å; L45-F75 HydrophobicContact CD1-CE2 4.28Å; L45-F75 HydrophobicContact CD1-CZ 4.25Å; L71-F75 HydrophobicContact CB-CD2 4.25Å; L71-F75 HydrophobicContact CD2-CD2 4.32Å; L71-F75 HydrophobicContact CD2-CE2 3.75Å; L71-F75 WeakPolarHBondContact O-CB 3.42Å; L71-F75 WeakPolarHBondContact O-CD2 3.46Å; L71-F75 PolarHBondContact O-N 3.06Å; F75-Y77 VanDerWaalsContact O-CD2 3.27Å; F75-Y77 WeakPolarHBondContact O-CD2 3.2Å; F75-Y77 PolarHBondContact O-N 3.31Å; F75-V100 HydrophobicContact CB-CG1 4.44Å; F75-V100 HydrophobicContact CD2-CG1 3.84Å; F75-V100 HydrophobicContact CD2-CG2 4.37Å; F75-V100 HydrophobicContact CE2-CG1 4.26Å; F75-V100 HydrophobicContact CE2-CG2 4.01Å; F75-V100 HydrophobicContact CG-CG1 4.02Å; F75-V100 HydrophobicContact CZ-CG2 4.49Å; F75-F108 HydrophobicContact CB-CD2 4.46Å; F75-F108 HydrophobicContact CB-CG 4.37Å; F75-F108 HydrophobicContact CD1-CE1 4.39Å; F75-F108 HydrophobicContact CD1-CE2 4.15Å; F75-F108 HydrophobicContact CD1-CZ 4.06Å
76G96.3Very high95.7Very high54 Ų5452.4 Ų52.456%0.55725%0.251SS*.SBendtrans77.72.7-176.500000114.3E72E72-G76 CarbonylContact O-C 3.53Å; E72-G76 WeakPolarHBondContact O-CA 3.23Å; E72-G76 PolarHBondContact O-N 3.37Å
77Y97.1Very high94.9Very high99 Ų9954.7 Ų54.739%0.38827%0.269SS..SBendtrans-144.3154.8-176.4-61.9-83000110.3E72 F75 F108E72-Y77 VanDerWaalsContact CA-O 3.25Å; E72-Y77 WeakPolarHBondContact CA-O 3.28Å; F75-Y77 VanDerWaalsContact O-CD2 3.27Å; F75-Y77 WeakPolarHBondContact O-CD2 3.2Å; F75-Y77 PolarHBondContact O-N 3.31Å; Y77-F108 HydrophobicContact CD2-CB 3.47Å; Y77-F108 VanDerWaalsContact CD2-CB 3.47Å; Y77-F108 WeakPolarHBondContact CD2-O 3.31Å; Y77-F108 HydrophobicContact CE2-CB 3.83Å; Y77-F108 WeakPolarHBondContact CE2-O 3.28Å; Y77-F108 HydrophobicContact CG-CB 4.47Å; Y77-F108 VanDerWaalsContact CZ-O 3.28Å
78N96.8Very high94Very high43 Ų4359 Ų5923%0.2331%0.313CS..  trans-59.7150.3177.378.5-10.3000111.4N110 C111N78-N110 PolarHBondContact N-OD1 3.4Å; N78-N110 VanDerWaalsContact OD1-C 3.24Å; N78-N110 WeakPolarHBondContact OD1-CA 3.38Å; N78-N110 VanDerWaalsContact OD1-CB 3.23Å; N78-N110 WeakPolarHBondContact OD1-CB 3.42Å; N78-N110 PolarHBondContact OD1-OD1 2.83Å; N78-C111 PolarHBondContact ND2-O 2.98Å; N78-C111 PolarHBondContact OD1-N 2.82Å; N78-C111 PolarHBondContact OD1-O 3.11Å
79G96.3Very high93.1Very high1 Ų163.5 Ų63.51%0.0133%0.328CS..  trans-109.3-175.3167.500000111
80S97.1Very high92.1Very high5 Ų571.5 Ų71.54%0.03535%0.352CS..EExtended strand (participates in β ladder)trans-136.2155.5173.4-178.20000110.2V98 H99 F113 G115S80-V98 CarbonylContact O-C 3.43Å; S80-V98 WeakPolarHBondContact O-CA 3.47Å; S80-H99 PolarHBondContact N-O 3.43Å; S80-H99 PolarHBondContact O-N 3.17Å; S80-F113 VanDerWaalsContact CB-O 3.24Å; S80-F113 WeakPolarHBondContact CB-O 3.08Å; S80-F113 PolarHBondContact OG-O 3.2Å; S80-G115 WeakPolarHBondContact OG-CA 3.36Å; S80-G115 PolarHBondContact OG-N 3.03Å
81A97.7Very high91.3Very high3 Ų374.2 Ų74.23%0.02538%0.381CS..EExtended strand (participates in β ladder)trans-146.1131.8-179.400000111.4L67 M68 L95 E97 G115 N116 C117L67-A81 HydrophobicContact CD2-CB 3.67Å; M68-A81 HydrophobicContact CE-CB 3.54Å; A81-L95 HydrophobicContact CB-CD1 3.88Å; A81-E97 CarbonylContact C-O 3.03Å; A81-E97 VanDerWaalsContact CA-O 3.28Å; A81-E97 WeakPolarHBondContact CA-O 3.39Å; A81-G115 CarbonylContact O-C 3.39Å; A81-G115 VanDerWaalsContact O-C 3.3Å; A81-G115 WeakPolarHBondContact O-CA 3.43Å; A81-N116 PolarHBondContact O-N 3.41Å; A81-C117 PolarHBondContact O-SG 2.95Å; A81-C117 VanDerWaalsContact O-SG 3.36Å
82N97.2Very high90.9Very high35 Ų3576.2 Ų76.219%0.18739%0.391CS..EExtended strand (participates in β ladder)trans-105.9138.5173.9-71.4-33.9000110.4E96 E97 G115 N116N82-E96 PolarHBondContact O-N 2.04Å; N82-E97 HydrophobicContact CB-CB 4.23Å; N82-E97 PolarHBondContact N-O 3.29Å; N82-E97 PolarHBondContact ND2-OE2 2.82Å; N82-E97 PolarHBondContact O-N 2.91Å; N82-E97 VanDerWaalsContact O-N 3.14Å; N82-G115 VanDerWaalsContact OD1-CA 3.24Å; N82-G115 WeakPolarHBondContact OD1-CA 3.29Å; N82-N116 VanDerWaalsContact CA-OD1 3.28Å; N82-N116 WeakPolarHBondContact CA-OD1 3.3Å; N82-N116 PolarHBondContact OD1-N 3.03Å
83C96.9Very high90.8Very high3 Ų375 Ų752%0.0238%0.382CS..EExtended strand (participates in β ladder)trans-124.5142.2177.2-68.60000110.7H94 N116 C117 F121C83-H94 CarbonylContact C-O 3.59Å; C83-H94 WeakPolarHBondContact CA-O 3.23Å; C83-H94 VanDerWaalsContact CB-O 3.31Å; C83-H94 WeakPolarHBondContact CB-O 3.01Å; C83-N116 PolarHBondContact N-OD1 2.57Å; C83-N116 PolarHBondContact O-ND2 2.96Å; C83-N116 PolarHBondContact O-OD1 3.25Å; C83-C117 HydrophobicContact CB-CB 3.96Å; C83-C117 WeakPolarHBondContact CB-SG 3.35Å; C83-C117 PolarHBondContact N-SG 2.94Å; C83-C117 WeakPolarHBondContact SG-CB 3.2Å; C83-C117 CovalentContact SG-SG 2.04Å; C83-C117 PolarHBondContact SG-SG 3.29Å; C83-F121 VanDerWaalsContact SG-CB 3.56Å
84I94.7Very high90.7Very high70 Ų7067.6 Ų67.636%0.35936%0.356SS..EExtended strand (participates in β ladder)trans-106.6146174.557.5174.8000110.9K86 Y93 H94 E96I84-K86 PolarHBondContact O-N 3.43Å; I84-Y93 CarbonylContact O-C 3.48Å; I84-Y93 WeakPolarHBondContact O-CA 3.22Å; I84-H94 HydrophobicContact CG1-CB 4.14Å; I84-H94 PolarHBondContact N-O 3.39Å; I84-H94 PolarHBondContact O-N 3.24Å; I84-E96 HydrophobicContact CD1-CG 4.46Å; I84-E96 HydrophobicContact CG1-CB 4.24Å; I84-E96 HydrophobicContact CG2-CB 4.05Å; I84-E96 HydrophobicContact CG2-CG 4.2Å; I84-E96 WeakPolarHBondContact CG2-OE1 3.12Å; I84-E96 WeakPolarHBondContact CG2-OE2 3.47Å
85R92.5Very high90.7Very high174 Ų17465.3 Ų65.366%0.65735%0.346SS*.EExtended strand (participates in β ladder)trans-68.7130.7175.5-169.6172.967.3-166.91.3109.9P87 Y93R85-P87 WeakPolarHBondContact O-CD 3.22Å; R85-Y93 HydrophobicContact CB-CD1 4.13Å; R85-Y93 HydrophobicContact CB-CE1 3.87Å; R85-Y93 HydrophobicContact CG-CE1 4.32Å
86K82.1Confident90.8Very high43 Ų4369.6 Ų69.619%0.18737%0.366CS..PPolyproline II helixtrans-65.2123.8175-169.7179.1-165.4141.90109.8I84 G88 R89 M92 H94I84-K86 PolarHBondContact O-N 3.43Å; K86-G88 PolarHBondContact O-N 3.43Å; K86-R89 HydrophobicContact CD-CB 4.2Å; K86-R89 HydrophobicContact CD-CG 4.19Å; K86-R89 PolarHBondContact O-N 2.8Å; K86-M92 HydrophobicContact CB-CB 4.07Å; K86-M92 WeakPolarHBondContact CB-O 3.25Å; K86-M92 HydrophobicContact CD-CB 4.49Å; K86-M92 HydrophobicContact CD-CE 4.1Å; K86-M92 PolarHBondContact N-O 3.36Å; K86-H94 WeakPolarHBondContact CD-NE2 3.15Å; K86-H94 WeakPolarHBondContact CE-NE2 3.26Å; K86-H94 WeakPolarHBondContact CG-NE2 3.42Å; K86-H94 PolarHBondContact NZ-NE2 2.81Å
87P79.5Confident90.8Very high115 Ų11571.2 Ų71.275%0.74736%0.359SS*.THydrogen-bonded Turntrans-56.1136.3173.1-24.334.1000110.9R85 R89R85-P87 WeakPolarHBondContact O-CD 3.22Å; P87-R89 VanDerWaalsContact C-N 3.25Å; P87-R89 PolarHBondContact O-N 2.99Å
88G78.7Confident90.8Very high90 Ų9068 Ų6893%0.92835%0.35SS*.THydrogen-bonded Turntrans74.9-2.5175.600000116.6K86K86-G88 PolarHBondContact O-N 3.43Å
89R78.4Confident90.8Very high135 Ų13569.4 Ų69.451%0.50936%0.355SS..  trans-128.7100.9175.2-61.9-160-175.6179.8-0.4111.6K86 P87 G91 M92K86-R89 HydrophobicContact CD-CB 4.2Å; K86-R89 HydrophobicContact CD-CG 4.19Å; K86-R89 PolarHBondContact O-N 2.8Å; P87-R89 VanDerWaalsContact C-N 3.25Å; P87-R89 PolarHBondContact O-N 2.99Å; R89-G91 PolarHBondContact O-N 2.54Å; R89-M92 HydrophobicContact CB-CB 4.09Å; R89-M92 HydrophobicContact CB-CG 4.26Å; R89-M92 HydrophobicContact CB-SD 3.66Å; R89-M92 WeakPolarHBondContact CD-SD 3.38Å; R89-M92 HydrophobicContact CG-SD 4.11Å; R89-M92 PolarHBondContact O-N 3.3Å
90R76.9Confident90.7Very high251 Ų25171.1 Ų71.195%0.94737%0.365SS*.THydrogen-bonded Turntrans-56.3137.2177.3-79.1-172.7-156.2173.18.2110.7M92R90-M92 PolarHBondContact O-N 3.45Å
91G80.2Confident90.7Very high61 Ų6172.3 Ų72.363%0.62937%0.373SS*.THydrogen-bonded Turntrans76.2-4.5175.700000115.4R89R89-G91 PolarHBondContact O-N 2.54Å
92M87.8Confident90.7Very high42 Ų4274.4 Ų74.421%0.20738%0.383CS..  trans-95.4131.1175-72.5174.771.200110.6K86 R89 R90 I122K86-M92 HydrophobicContact CB-CB 4.07Å; K86-M92 WeakPolarHBondContact CB-O 3.25Å; K86-M92 HydrophobicContact CD-CB 4.49Å; K86-M92 HydrophobicContact CD-CE 4.1Å; K86-M92 PolarHBondContact N-O 3.36Å; R89-M92 HydrophobicContact CB-CB 4.09Å; R89-M92 HydrophobicContact CB-CG 4.26Å; R89-M92 HydrophobicContact CB-SD 3.66Å; R89-M92 WeakPolarHBondContact CD-SD 3.38Å; R89-M92 HydrophobicContact CG-SD 4.11Å; R89-M92 PolarHBondContact O-N 3.3Å; R90-M92 PolarHBondContact O-N 3.45Å; M92-I122 HydrophobicContact CE-CD1 3.12Å; M92-I122 HydrophobicContact CG-CD1 4.48Å
93Y95.4Very high90.6Very high76 Ų7675 Ų7530%0.29839%0.387SS..EExtended strand (participates in β ladder)trans-124.3139.9179.3-68.5-101.8000109.9I84 R85 P118 I122I84-Y93 CarbonylContact O-C 3.48Å; I84-Y93 WeakPolarHBondContact O-CA 3.22Å; R85-Y93 HydrophobicContact CB-CD1 4.13Å; R85-Y93 HydrophobicContact CB-CE1 3.87Å; R85-Y93 HydrophobicContact CG-CE1 4.32Å; Y93-P118 HydrophobicContact CD1-CG 4.4Å; Y93-P118 HydrophobicContact CD2-CB 4.39Å; Y93-P118 HydrophobicContact CD2-CG 3.63Å; Y93-P118 HydrophobicContact CE2-CG 4.26Å; Y93-P118 HydrophobicContact CG-CG 3.7Å; Y93-I122 PolarHBondContact O-N 3.31Å
94H94.5Very high90.5Very high31 Ų3185.8 Ų85.814%0.14443%0.427CS..EExtended strand (participates in β ladder)trans-100.7137.7173.5-67.6-179.9000109.3C83 I84 K86 E96 I122 P124C83-H94 CarbonylContact C-O 3.59Å; C83-H94 WeakPolarHBondContact CA-O 3.23Å; C83-H94 VanDerWaalsContact CB-O 3.31Å; C83-H94 WeakPolarHBondContact CB-O 3.01Å; I84-H94 HydrophobicContact CG1-CB 4.14Å; I84-H94 PolarHBondContact N-O 3.39Å; I84-H94 PolarHBondContact O-N 3.24Å; K86-H94 WeakPolarHBondContact CD-NE2 3.15Å; K86-H94 WeakPolarHBondContact CE-NE2 3.26Å; K86-H94 WeakPolarHBondContact CG-NE2 3.42Å; K86-H94 PolarHBondContact NZ-NE2 2.81Å; H94-E96 PolarHBondContact O-N 3.4Å; H94-I122 CarbonylContact C-O 3.38Å; H94-I122 VanDerWaalsContact CA-O 3.23Å; H94-I122 WeakPolarHBondContact CA-O 3.27Å; H94-P124 HydrophobicContact CB-CG 4.22Å
95L96.2Very high90.5Very high17 Ų1790.2 Ų90.29%0.08944%0.444CS..EExtended strand (participates in β ladder)trans-62.6123.8165.6-17665.5000108.7L67 A81 V98 F121 I122 F123L67-L95 HydrophobicContact CD2-CD1 3.97Å; L67-L95 HydrophobicContact CD2-CD2 4.23Å; A81-L95 HydrophobicContact CB-CD1 3.88Å; L95-V98 HydrophobicContact CD1-CG2 4.07Å; L95-V98 HydrophobicContact CD2-CG2 3.92Å; L95-V98 HydrophobicContact CG-CG2 4.29Å; L95-F121 HydrophobicContact CB-CD2 3.63Å; L95-F121 HydrophobicContact CB-CE2 3.86Å; L95-F121 HydrophobicContact CD1-CE2 4.49Å; L95-F121 HydrophobicContact CD2-CD2 4.48Å; L95-F121 HydrophobicContact CD2-CE2 3.84Å; L95-F121 HydrophobicContact CD2-CZ 4.43Å; L95-F121 HydrophobicContact CG-CD2 4.46Å; L95-F121 HydrophobicContact CG-CE2 4.29Å; L95-I122 PolarHBondContact N-O 2.82Å; L95-F123 HydrophobicContact CD2-CD2 4.36Å; L95-F123 HydrophobicContact CD2-CG 4.44Å
96E94.7Very high90.6Very high113 Ų11384 Ų8453%0.52842%0.422SS..EExtended strand (participates in β ladder)trans-107-50.5179.7-173.6-180-127.800110.5N82 I84 H94N82-E96 PolarHBondContact O-N 2.04Å; I84-E96 HydrophobicContact CD1-CG 4.46Å; I84-E96 HydrophobicContact CG1-CB 4.24Å; I84-E96 HydrophobicContact CG2-CB 4.05Å; I84-E96 HydrophobicContact CG2-CG 4.2Å; I84-E96 WeakPolarHBondContact CG2-OE1 3.12Å; I84-E96 WeakPolarHBondContact CG2-OE2 3.47Å; H94-E96 PolarHBondContact O-N 3.4Å
97E96.1Very high91.3Very high88 Ų8886.9 Ų86.941%0.41144%0.436SS..EExtended strand (participates in β ladder)trans-132.9147.6-176.3-50.6-177.3143.300111.1A81 N82 H99A81-E97 CarbonylContact C-O 3.03Å; A81-E97 VanDerWaalsContact CA-O 3.28Å; A81-E97 WeakPolarHBondContact CA-O 3.39Å; N82-E97 HydrophobicContact CB-CB 4.23Å; N82-E97 PolarHBondContact N-O 3.29Å; N82-E97 PolarHBondContact ND2-OE2 2.82Å; N82-E97 PolarHBondContact O-N 2.91Å; N82-E97 VanDerWaalsContact O-N 3.14Å; E97-H99 IonicContact OE2-CD2 3.97Å; E97-H99 IonicContact OE2-CE1 3.41Å; E97-H99 PolarHBondContact OE2-CE1 3.43Å; E97-H99 IonicContact OE2-NE2 2.79Å; E97-H99 PolarHBondContact OE2-NE2 3.08Å
98V96.9Very high92.1Very high33 Ų3383.4 Ų83.420%0.241%0.409CS..EExtended strand (participates in β ladder)trans-125129.9166.1177.30000107.2L45 L67 L71 S80 L95L45-V98 HydrophobicContact CD1-CG1 4.44Å; L45-V98 HydrophobicContact CD2-CB 3.66Å; L45-V98 HydrophobicContact CD2-CG1 3.68Å; L45-V98 HydrophobicContact CD2-CG2 4.25Å; L67-V98 HydrophobicContact CD2-CG2 4.46Å; L71-V98 HydrophobicContact CD1-CG1 3.75Å; L71-V98 HydrophobicContact CD2-CG1 3.81Å; L71-V98 HydrophobicContact CG-CG1 4.46Å; S80-V98 CarbonylContact O-C 3.43Å; S80-V98 WeakPolarHBondContact O-CA 3.47Å; L95-V98 HydrophobicContact CD1-CG2 4.07Å; L95-V98 HydrophobicContact CD2-CG2 3.92Å; L95-V98 HydrophobicContact CG-CG2 4.29Å
99H96.4Very high93Very high72 Ų7282.7 Ų82.733%0.33338%0.382SS..EExtended strand (participates in β ladder)trans-112.8139.7-178.7-56.2172.9000110.2S80 E97S80-H99 PolarHBondContact N-O 3.43Å; S80-H99 PolarHBondContact O-N 3.17Å; E97-H99 IonicContact OE2-CD2 3.97Å; E97-H99 IonicContact OE2-CE1 3.41Å; E97-H99 PolarHBondContact OE2-CE1 3.43Å; E97-H99 IonicContact OE2-NE2 2.79Å; E97-H99 PolarHBondContact OE2-NE2 3.08Å
100V95.4Very high93.9Very high37 Ų3780.3 Ų80.322%0.22438%0.38CS..  trans-125.9132.9171.6-158.80000106.5L43 F75 F108L43-V100 HydrophobicContact CD1-CG2 4.18Å; L43-V100 HydrophobicContact CD2-CG1 4.34Å; L43-V100 HydrophobicContact CD2-CG2 4.24Å; F75-V100 HydrophobicContact CB-CG1 4.44Å; F75-V100 HydrophobicContact CD2-CG1 3.84Å; F75-V100 HydrophobicContact CD2-CG2 4.37Å; F75-V100 HydrophobicContact CE2-CG1 4.26Å; F75-V100 HydrophobicContact CE2-CG2 4.01Å; F75-V100 HydrophobicContact CG-CG1 4.02Å; F75-V100 HydrophobicContact CZ-CG2 4.49Å; V100-F108 HydrophobicContact CG1-CD1 3.75Å; V100-F108 HydrophobicContact CG1-CE1 3.86Å
101C97Very high94.9Very high30 Ų3068.6 Ų68.620%0.20334%0.337CS..EExtended strand (participates in β ladder)trans-105.1143.7-171.3-62.50000111.8F108 M109 C111C101-F108 WeakPolarHBondContact O-CA 3.45Å; C101-M109 HydrophobicContact CB-CG 4.08Å; C101-M109 PolarHBondContact O-N 3.04Å; C101-C111 HydrophobicContact CB-CB 4.01Å; C101-C111 WeakPolarHBondContact CB-SG 3.41Å; C101-C111 PolarHBondContact N-SG 3.21Å; C101-C111 VanDerWaalsContact N-SG 3.37Å; C101-C111 WeakPolarHBondContact SG-CA 3.36Å; C101-C111 WeakPolarHBondContact SG-CB 3.31Å; C101-C111 CovalentContact SG-SG 2.05Å; C101-C111 PolarHBondContact SG-SG 3.44Å
102L96.5Very high95.7Very high47 Ų4770.5 Ų70.525%0.24634%0.338CS..EExtended strand (participates in β ladder)trans-121.9143.9179.1-60.1-179.7000110.3F35 L39 E107 F108 M109F35-L102 HydrophobicContact CE1-CD1 4.02Å; F35-L102 HydrophobicContact CZ-CD1 3.79Å; L39-L102 HydrophobicContact CD1-CD1 4.04Å; L39-L102 HydrophobicContact CD2-CD1 3.62Å; L39-L102 HydrophobicContact CG-CD1 4.48Å; L102-E107 CarbonylContact C-O 3.52Å; L102-E107 VanDerWaalsContact CA-O 3.27Å; L102-E107 WeakPolarHBondContact CA-O 3.06Å; L102-F108 HydrophobicContact CD2-CD1 3.42Å; L102-F108 VanDerWaalsContact CD2-CD1 3.42Å; L102-F108 HydrophobicContact CD2-CE1 3.68Å; L102-F108 HydrophobicContact CD2-CG 4.23Å; L102-M109 VanDerWaalsContact C-SD 3.55Å
103N96.1Very high95.9Very high47 Ų4776.5 Ų76.525%0.25136%0.363SS..  trans-79.3177.1167.872.913.8000110.7K105 H106 E107 M109N103-K105 PolarHBondContact O-N 3.2Å; N103-K105 VanDerWaalsContact O-N 3.09Å; N103-K105 VanDerWaalsContact OD1-CA 3.28Å; N103-K105 WeakPolarHBondContact OD1-CA 3.47Å; N103-K105 WeakPolarHBondContact OD1-CB 3.13Å; N103-K105 PolarHBondContact OD1-N 3.37Å; N103-H106 PolarHBondContact O-N 2.91Å; N103-H106 PolarHBondContact OD1-N 2.95Å; N103-E107 PolarHBondContact N-O 3.29Å; N103-E107 PolarHBondContact ND2-OE2 3.05Å; N103-E107 PolarHBondContact OD1-N 3.32Å; N103-E107 PolarHBondContact OD1-O 2.93Å; N103-M109 VanDerWaalsContact CA-SD 3.56Å; N103-M109 HydrophobicContact CB-CB 4.45Å; N103-M109 HydrophobicContact CB-CG 4.38Å; N103-M109 HydrophobicContact CB-SD 3.75Å; N103-M109 PolarHBondContact N-SD 3.19Å
104R93.8Very high95.5Very high230 Ų23078.9 Ų78.987%0.86838%0.38SS*.THydrogen-bonded Turntrans-65.6-8.8177.8-67.3-172.5178.3-169.7-2.9114.6
105K95.4Very high95.4Very high163 Ų16378.8 Ų78.871%0.70939%0.387SS*.THydrogen-bonded Turntrans-97.57.7173.1-58-178.4179.1179.80112.3N103 E107N103-K105 PolarHBondContact O-N 3.2Å; N103-K105 VanDerWaalsContact O-N 3.09Å; N103-K105 VanDerWaalsContact OD1-CA 3.28Å; N103-K105 WeakPolarHBondContact OD1-CA 3.47Å; N103-K105 WeakPolarHBondContact OD1-CB 3.13Å; N103-K105 PolarHBondContact OD1-N 3.37Å; K105-E107 HydrophobicContact CB-CG 4.19Å; K105-E107 PolarHBondContact O-N 3.33Å
106H95.2Very high95.4Very high42 Ų4282.9 Ų82.919%0.19441%0.409CS..SBendtrans61.523.7-176-46.3132.3000114.6D23 Q25 F35 N103D23-H106 IonicContact OD1-CE1 3.42Å; D23-H106 PolarHBondContact OD1-CE1 3.01Å; D23-H106 IonicContact OD1-NE2 3.38Å; D23-H106 IonicContact OD2-CD2 3.8Å; D23-H106 IonicContact OD2-CE1 3.21Å; D23-H106 PolarHBondContact OD2-CE1 3.13Å; D23-H106 IonicContact OD2-NE2 2.63Å; D23-H106 PolarHBondContact OD2-NE2 3.42Å; Q25-H106 VanDerWaalsContact CD-CE1 3.49Å; Q25-H106 PolarHBondContact NE2-CE1 3.37Å; Q25-H106 PolarHBondContact NE2-ND1 3.49Å; F35-H106 HydrophobicContact CE2-CB 3.97Å; F35-H106 AromaticContact CE2-CD2 3.66Å; F35-H106 AromaticContact CE2-CE1 3.99Å; F35-H106 AromaticContact CE2-CG 3.49Å; F35-H106 VanDerWaalsContact CE2-CG 3.49Å; F35-H106 AromaticContact CE2-ND1 3.73Å; F35-H106 AromaticContact CE2-NE2 3.95Å; F35-H106 HydrophobicContact CZ-CB 3.95Å; F35-H106 AromaticContact CZ-CD2 3.47Å; F35-H106 VanDerWaalsContact CZ-CD2 3.47Å; F35-H106 WeakPolarHBondContact CZ-CD2 3.45Å; F35-H106 AromaticContact CZ-CG 3.63Å; N103-H106 PolarHBondContact O-N 2.91Å; N103-H106 PolarHBondContact OD1-N 2.95Å
107E95.8Very high95.5Very high105 Ų10578.4 Ų78.449%0.49139%0.39SS..  trans-91.2146.9172-56.4163.2147.200109L102 N103 K105L102-E107 CarbonylContact C-O 3.52Å; L102-E107 VanDerWaalsContact CA-O 3.27Å; L102-E107 WeakPolarHBondContact CA-O 3.06Å; N103-E107 PolarHBondContact N-O 3.29Å; N103-E107 PolarHBondContact ND2-OE2 3.05Å; N103-E107 PolarHBondContact OD1-N 3.32Å; N103-E107 PolarHBondContact OD1-O 2.93Å; K105-E107 HydrophobicContact CB-CG 4.19Å; K105-E107 PolarHBondContact O-N 3.33Å
108F96.6Very high95.5Very high42 Ų4276.2 Ų76.218%0.18438%0.384CS..EExtended strand (participates in β ladder)trans-58.5143.5174.1-63.9-59000110.8L39 L43 F75 Y77 V100 C101 L102L39-F108 HydrophobicContact CD1-CE1 4.45Å; L43-F108 HydrophobicContact CD2-CE1 3.61Å; L43-F108 HydrophobicContact CD2-CZ 3.55Å; F75-F108 HydrophobicContact CB-CD2 4.46Å; F75-F108 HydrophobicContact CB-CG 4.37Å; F75-F108 HydrophobicContact CD1-CE1 4.39Å; F75-F108 HydrophobicContact CD1-CE2 4.15Å; F75-F108 HydrophobicContact CD1-CZ 4.06Å; Y77-F108 HydrophobicContact CD2-CB 3.47Å; Y77-F108 VanDerWaalsContact CD2-CB 3.47Å; Y77-F108 WeakPolarHBondContact CD2-O 3.31Å; Y77-F108 HydrophobicContact CE2-CB 3.83Å; Y77-F108 WeakPolarHBondContact CE2-O 3.28Å; Y77-F108 HydrophobicContact CG-CB 4.47Å; Y77-F108 VanDerWaalsContact CZ-O 3.28Å; V100-F108 HydrophobicContact CG1-CD1 3.75Å; V100-F108 HydrophobicContact CG1-CE1 3.86Å; C101-F108 WeakPolarHBondContact O-CA 3.45Å; L102-F108 HydrophobicContact CD2-CD1 3.42Å; L102-F108 VanDerWaalsContact CD2-CD1 3.42Å; L102-F108 HydrophobicContact CD2-CE1 3.68Å; L102-F108 HydrophobicContact CD2-CG 4.23Å
109M97.8Very high95.5Very high74 Ų7483.6 Ų83.637%0.36541%0.414SS..EExtended strand (participates in β ladder)trans-146.2165.5175.866.6173.5-69.200110C101 L102 N103 C111C101-M109 HydrophobicContact CB-CG 4.08Å; C101-M109 PolarHBondContact O-N 3.04Å; L102-M109 VanDerWaalsContact C-SD 3.55Å; N103-M109 VanDerWaalsContact CA-SD 3.56Å; N103-M109 HydrophobicContact CB-CB 4.45Å; N103-M109 HydrophobicContact CB-CG 4.38Å; N103-M109 HydrophobicContact CB-SD 3.75Å; N103-M109 PolarHBondContact N-SD 3.19Å; M109-C111 PolarHBondContact O-N 3.24Å
110N98Very high95.5Very high86 Ų8685.1 Ų85.146%0.4642%0.419SS..  trans-61.6131.8173.3-71.7-42.8000111N78N78-N110 PolarHBondContact N-OD1 3.4Å; N78-N110 VanDerWaalsContact OD1-C 3.24Å; N78-N110 WeakPolarHBondContact OD1-CA 3.38Å; N78-N110 VanDerWaalsContact OD1-CB 3.23Å; N78-N110 WeakPolarHBondContact OD1-CB 3.42Å; N78-N110 PolarHBondContact OD1-OD1 2.83Å
111C97.6Very high95.5Very high5 Ų583.5 Ų83.53%0.03441%0.409CS..  trans-66.8129.1167.3-73.70000111.2N78 C101 M109N78-C111 PolarHBondContact ND2-O 2.98Å; N78-C111 PolarHBondContact OD1-N 2.82Å; N78-C111 PolarHBondContact OD1-O 3.11Å; C101-C111 HydrophobicContact CB-CB 4.01Å; C101-C111 WeakPolarHBondContact CB-SG 3.41Å; C101-C111 PolarHBondContact N-SG 3.21Å; C101-C111 VanDerWaalsContact N-SG 3.37Å; C101-C111 WeakPolarHBondContact SG-CA 3.36Å; C101-C111 WeakPolarHBondContact SG-CB 3.31Å; C101-C111 CovalentContact SG-SG 2.05Å; C101-C111 PolarHBondContact SG-SG 3.44Å; M109-C111 PolarHBondContact O-N 3.24Å
112P96Very high95.4Very high101 Ų10182.1 Ų82.166%0.65640%0.4SS*.SBendtrans-73.5-27-177.827.5-33.7000113.2
113F93.3Very high95.4Very high168 Ų16881.8 Ų81.874%0.73740%0.396SS*.SBendtrans-116.1123.7-178.6-57.9-71.5000110.6S80S80-F113 VanDerWaalsContact CB-O 3.24Å; S80-F113 WeakPolarHBondContact CB-O 3.08Å; S80-F113 PolarHBondContact OG-O 3.2Å
114L87.3Confident95.3Very high125 Ų12581.2 Ų81.265%0.65440%0.395SS*.  trans-85.1130.7171.6-56.8179.9000108.5
115G92.5Very high95.3Very high29 Ų2972.5 Ų72.530%0.29937%0.368SS..  trans-71.9-175.1-17500000113S80 A81 N82S80-G115 WeakPolarHBondContact OG-CA 3.36Å; S80-G115 PolarHBondContact OG-N 3.03Å; A81-G115 CarbonylContact O-C 3.39Å; A81-G115 VanDerWaalsContact O-C 3.3Å; A81-G115 WeakPolarHBondContact O-CA 3.43Å; N82-G115 VanDerWaalsContact OD1-CA 3.24Å; N82-G115 WeakPolarHBondContact OD1-CA 3.29Å
116N95.5Very high95Very high103 Ų10374.7 Ų74.755%0.55138%0.378SS*.  trans-97.411.5-165.468.8-0.9000114.9A81 N82 C83A81-N116 PolarHBondContact O-N 3.41Å; N82-N116 VanDerWaalsContact CA-OD1 3.28Å; N82-N116 WeakPolarHBondContact CA-OD1 3.3Å; N82-N116 PolarHBondContact OD1-N 3.03Å; C83-N116 PolarHBondContact N-OD1 2.57Å; C83-N116 PolarHBondContact O-ND2 2.96Å; C83-N116 PolarHBondContact O-OD1 3.25Å
117C96.5Very high94.1Very high19 Ų1983.8 Ų83.813%0.12842%0.421CS..  trans-60.9131.2-178.3-74.70000111.9T64 A81 C83T64-C117 HydrophobicContact CG2-CB 3.92Å; A81-C117 PolarHBondContact O-SG 2.95Å; A81-C117 VanDerWaalsContact O-SG 3.36Å; C83-C117 HydrophobicContact CB-CB 3.96Å; C83-C117 WeakPolarHBondContact CB-SG 3.35Å; C83-C117 PolarHBondContact N-SG 2.94Å; C83-C117 WeakPolarHBondContact SG-CB 3.2Å; C83-C117 CovalentContact SG-SG 2.04Å; C83-C117 PolarHBondContact SG-SG 3.29Å
118P95.7Very high94Very high43 Ų4382.8 Ų82.828%0.27942%0.417SS..  trans-66.9-179.3173.633-40.3000110.9T64 Y93 K120T64-P118 WeakPolarHBondContact CB-O 3.4Å; T64-P118 PolarHBondContact OG1-O 3.33Å; Y93-P118 HydrophobicContact CD1-CG 4.4Å; Y93-P118 HydrophobicContact CD2-CB 4.39Å; Y93-P118 HydrophobicContact CD2-CG 3.63Å; Y93-P118 HydrophobicContact CE2-CG 4.26Å; Y93-P118 HydrophobicContact CG-CG 3.7Å; P118-K120 VanDerWaalsContact CG-O 3.27Å; P118-K120 WeakPolarHBondContact CG-O 3.28Å; P118-K120 PolarHBondContact O-N 3.15Å; P118-K120 VanDerWaalsContact O-N 3.11Å
119K96.4Very high93.9Very high188 Ų18884.9 Ų84.982%0.81743%0.43SS*.SBendtrans-52-37.9177.8-71.1-173.8178.5-177.40113.4D63 T64D63-K119 WeakPolarHBondContact CA-O 3.41Å; T64-K119 PolarHBondContact N-O 2.92Å
120K96.3Very high93.7Very high104 Ų10485.5 Ų85.545%0.45243%0.433SS..EExtended strand (participates in β ladder)trans-131.4136.8-179.9-67.5-171.3176.4-172.20112.2Q61 Y62 D63 P118Q61-K120 HydrophobicContact CB-CB 4.33Å; Q61-K120 HydrophobicContact CB-CD 4.32Å; Y62-K120 CarbonylContact O-C 3.59Å; Y62-K120 VanDerWaalsContact O-CA 3.22Å; Y62-K120 WeakPolarHBondContact O-CA 3.27Å; D63-K120 WeakPolarHBondContact OD1-CE 3.22Å; D63-K120 WeakPolarHBondContact OD1-CG 3.42Å; P118-K120 VanDerWaalsContact CG-O 3.27Å; P118-K120 WeakPolarHBondContact CG-O 3.28Å; P118-K120 PolarHBondContact O-N 3.15Å; P118-K120 VanDerWaalsContact O-N 3.11Å
121F96.3Very high93.4Very high2 Ų285.5 Ų85.51%0.00943%0.432CS..EExtended strand (participates in β ladder)trans-132.7166.6178.267.4-88.4000111Q61 Y62 T64 L67 C83 L95 F123Q61-F121 CarbonylContact C-O 3.44Å; Q61-F121 VanDerWaalsContact CA-O 3.29Å; Q61-F121 WeakPolarHBondContact CA-O 3.44Å; Y62-F121 HydrophobicContact CD2-CE2 4.21Å; Y62-F121 HydrophobicContact CG-CE2 4.39Å; Y62-F121 HydrophobicContact CG-CZ 4.37Å; Y62-F121 PolarHBondContact N-O 2.98Å; Y62-F121 WeakPolarHBondContact O-CD1 3.4Å; Y62-F121 PolarHBondContact O-N 3.36Å; T64-F121 WeakPolarHBondContact OG1-CD1 3.47Å; L67-F121 HydrophobicContact CB-CE1 4.05Å; L67-F121 HydrophobicContact CB-CZ 4.03Å; L67-F121 HydrophobicContact CD2-CE1 4.04Å; L67-F121 HydrophobicContact CD2-CZ 3.78Å; L67-F121 HydrophobicContact CG-CZ 4.41Å; C83-F121 VanDerWaalsContact SG-CB 3.56Å; L95-F121 HydrophobicContact CB-CD2 3.63Å; L95-F121 HydrophobicContact CB-CE2 3.86Å; L95-F121 HydrophobicContact CD1-CE2 4.49Å; L95-F121 HydrophobicContact CD2-CD2 4.48Å; L95-F121 HydrophobicContact CD2-CE2 3.84Å; L95-F121 HydrophobicContact CD2-CZ 4.43Å; L95-F121 HydrophobicContact CG-CD2 4.46Å; L95-F121 HydrophobicContact CG-CE2 4.29Å; F121-F123 HydrophobicContact CE2-CB 4.29Å
122I95.7Very high93.2Very high2 Ų290.5 Ų90.51%0.0146%0.457CS..EExtended strand (participates in β ladder)trans-108.8140.3171.5-67.2165.3000108.2H57 Q61 M92 Y93 H94 L95 P124H57-I122 WeakPolarHBondContact O-CG2 3.36Å; Q61-I122 HydrophobicContact CG-CG1 4.02Å; M92-I122 HydrophobicContact CE-CD1 3.12Å; M92-I122 HydrophobicContact CG-CD1 4.48Å; Y93-I122 PolarHBondContact O-N 3.31Å; H94-I122 CarbonylContact C-O 3.38Å; H94-I122 VanDerWaalsContact CA-O 3.23Å; H94-I122 WeakPolarHBondContact CA-O 3.27Å; L95-I122 PolarHBondContact N-O 2.82Å; I122-P124 WeakPolarHBondContact O-CD 3.08Å
123F96.3Very high93Very high39 Ų3989.8 Ų89.817%0.17144%0.443CS..  trans-107.192.8170.3179.7-157.1000107.6L46 I54 P56 H57 Y62 L95 F121L46-F123 HydrophobicContact CD1-CE1 4.02Å; L46-F123 HydrophobicContact CD1-CZ 4.01Å; I54-F123 HydrophobicContact CG2-CD1 4.3Å; P56-F123 CarbonylContact C-O 3.59Å; P56-F123 WeakPolarHBondContact CA-O 3.39Å; P56-F123 HydrophobicContact CB-CE1 4.46Å; P56-F123 HydrophobicContact CG-CD1 4.2Å; P56-F123 HydrophobicContact CG-CE1 3.69Å; P56-F123 HydrophobicContact CG-CE2 4.4Å; P56-F123 HydrophobicContact CG-CZ 3.8Å; H57-F123 PolarHBondContact N-O 3.39Å; H57-F123 VanDerWaalsContact O-O 3.12Å; Y62-F123 HydrophobicContact CD2-CB 4.24Å; Y62-F123 HydrophobicContact CE2-CB 4.13Å; L95-F123 HydrophobicContact CD2-CD2 4.36Å; L95-F123 HydrophobicContact CD2-CG 4.44Å; F121-F123 HydrophobicContact CE2-CB 4.29Å
124P93.3Very high93Very high36 Ų3684.2 Ų84.223%0.23442%0.422CS..PPolyproline II helixtrans-70.8151.9-173.930.1-36.3000111.9H94 I122H94-P124 HydrophobicContact CB-CG 4.22Å; I122-P124 WeakPolarHBondContact O-CD 3.08Å
125P93.4Very high93.4Very high46 Ų4681.1 Ų81.130%0.29941%0.405SS..PPolyproline II helixtrans-62.5153.5167.629.2-33.5000111.3P56 D58P56-P125 HydrophobicContact CB-CB 4.19Å; D58-P125 VanDerWaalsContact OD1-CD 3.26Å; D58-P125 WeakPolarHBondContact OD1-CD 3.02Å; D58-P125 WeakPolarHBondContact OD1-CG 3.05Å
126F89.3Confident93.5Very high209 Ų20985.4 Ų85.492%0.91741%0.413SS*.PPolyproline II helixtrans-66.2132.1168.8-167.5-98.6000108.8
127Q77.5Confident93.3Very high234 Ų23483.8 Ų83.8100%1.09340%0.401SS*.  trans-98.70178-70.2-175-1.200110.9

Retrieved 127 of 127 residues in 87.2 ms (Link to these results)

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