A0A5K4FCK4_SCHMA Loading...

Ribonuclease T(2)

AlphaFold DB , UniProt , Accession A0A5K4FCK4, 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 low84.9Confident242 Ų242118.5 Ų118.5100%1.19260%0.597SS**  0110.60-156.5-177-93.500105.9S3M1-S3 PolarHBondContact O-N 2.79Å
2F60.2Low85.9Confident214 Ų214112.6 Ų112.694%0.93957%0.566SS**PPolyproline II helixtrans-72.8119.9-177-66.4-77.2000108.9T4F2-T4 PolarHBondContact O-N 3.47Å
3S75.2Confident86.8Confident73 Ų73105.8 Ų105.851%0.5153%0.531SS..PPolyproline II helixtrans-65131.1173.2-177.80000108.8M1 F8M1-S3 PolarHBondContact O-N 2.79Å; S3-F8 PolarHBondContact OG-N 3.07Å
4T91.9Very high87.6Confident75 Ų75105.9 Ų105.946%0.4653%0.528SS..PPolyproline II helixtrans-65.6152.817271.90000109.6F2 S6 T7 F8F2-T4 PolarHBondContact O-N 3.47Å; T4-S6 PolarHBondContact O-N 2.92Å; T4-S6 PolarHBondContact OG1-OG 3.2Å; T4-T7 PolarHBondContact O-N 3.05Å; T4-T7 WeakPolarHBondContact OG1-CB 3.22Å; T4-T7 PolarHBondContact OG1-N 3.3Å; T4-T7 PolarHBondContact OG1-OG1 3.21Å; T4-F8 PolarHBondContact O-N 3.03Å
5L91.4Very high88.3Confident108 Ų108106.7 Ų106.757%0.56553%0.527SS*.Hα-helixtrans-55.1-38.1176.7-178.863.1000112.1R9L5-R9 HydrophobicContact CD1-CG 4.31Å; L5-R9 WeakPolarHBondContact O-CB 3.38Å; L5-R9 VanDerWaalsContact O-CG 3.29Å; L5-R9 WeakPolarHBondContact O-CG 3.25Å; L5-R9 PolarHBondContact O-N 3.2Å
6S93.3Very high88.9Confident85 Ų85105.4 Ų105.459%0.59452%0.519SS*.Hα-helixtrans-65.4-43.4175.3410000112.5T4 K10T4-S6 PolarHBondContact O-N 2.92Å; T4-S6 PolarHBondContact OG1-OG 3.2Å; S6-K10 VanDerWaalsContact O-CB 3.25Å; S6-K10 WeakPolarHBondContact O-CB 3.45Å; S6-K10 PolarHBondContact O-N 2.96Å
7T96.1Very high89.4Confident79 Ų7999.2 Ų99.249%0.48549%0.489SS..Hα-helixtrans-63.9-44.5177.3-57.70000110.9T4 K10 H11T4-T7 PolarHBondContact O-N 3.05Å; T4-T7 WeakPolarHBondContact OG1-CB 3.22Å; T4-T7 PolarHBondContact OG1-N 3.3Å; T4-T7 PolarHBondContact OG1-OG1 3.21Å; T7-K10 PolarHBondContact O-N 2.93Å; T7-H11 PolarHBondContact O-N 3.48Å
8F95.8Very high89.8Confident105 Ų10598.6 Ų98.646%0.46149%0.487SS..Hα-helixtrans-60.7-52.7176.5176.5-112.8000111.5S3 T4 K10 H11 E12S3-F8 PolarHBondContact OG-N 3.07Å; T4-F8 PolarHBondContact O-N 3.03Å; F8-K10 VanDerWaalsContact C-N 3.32Å; F8-K10 PolarHBondContact O-N 2.9Å; F8-H11 WeakPolarHBondContact O-CB 3.43Å; F8-H11 PolarHBondContact O-N 3.43Å; F8-H11 VanDerWaalsContact O-N 3.12Å; F8-E12 HydrophobicContact CD1-CG 4.48Å; F8-E12 HydrophobicContact CD2-CG 4.15Å; F8-E12 HydrophobicContact CE1-CG 4.05Å; F8-E12 HydrophobicContact CE2-CG 3.68Å; F8-E12 WeakPolarHBondContact CE2-OE1 3.45Å; F8-E12 HydrophobicContact CZ-CG 3.62Å; F8-E12 WeakPolarHBondContact O-CG 2.82Å; F8-E12 PolarHBondContact O-N 2.85Å
9R95.6Very high90.2Very high116 Ų11699.3 Ų99.344%0.43850%0.501SS..Hα-helixtrans-59.6-42.2178.4-73.6177.1179.4-178.4-0.2112.1L5 H11 E12 F13 F33L5-R9 HydrophobicContact CD1-CG 4.31Å; L5-R9 WeakPolarHBondContact O-CB 3.38Å; L5-R9 VanDerWaalsContact O-CG 3.29Å; L5-R9 WeakPolarHBondContact O-CG 3.25Å; L5-R9 PolarHBondContact O-N 3.2Å; R9-H11 VanDerWaalsContact C-N 3.33Å; R9-H11 PolarHBondContact O-N 3.01Å; R9-E12 PolarHBondContact O-N 3.17Å; R9-F13 PolarHBondContact O-N 3.12Å; R9-F33 HydrophobicContact CB-CE1 4.01Å; R9-F33 HydrophobicContact CB-CE2 4.42Å; R9-F33 HydrophobicContact CB-CZ 3.66Å; R9-F33 HydrophobicContact CG-CE1 3.87Å; R9-F33 HydrophobicContact CG-CZ 4.05Å; R9-F33 WeakPolarHBondContact O-CZ 3.44Å
10K96.7Very high90.5Very high119 Ų11996.2 Ų96.252%0.51749%0.491SS..Hα-helixtrans-57.7-48175.5-177.3178.5179.1-177.30110.9S6 T7 F8 F13 E14S6-K10 VanDerWaalsContact O-CB 3.25Å; S6-K10 WeakPolarHBondContact O-CB 3.45Å; S6-K10 PolarHBondContact O-N 2.96Å; T7-K10 PolarHBondContact O-N 2.93Å; F8-K10 VanDerWaalsContact C-N 3.32Å; F8-K10 PolarHBondContact O-N 2.9Å; K10-F13 PolarHBondContact O-N 2.98Å; K10-E14 WeakPolarHBondContact CE-OE1 3.37Å; K10-E14 VanDerWaalsContact CE-OE2 3.22Å; K10-E14 WeakPolarHBondContact CE-OE2 3.49Å; K10-E14 HydrophobicContact CG-CG 4.24Å; K10-E14 IonicContact NZ-OE1 3.78Å; K10-E14 WeakPolarHBondContact O-CB 3.16Å; K10-E14 WeakPolarHBondContact O-CG 3.22Å; K10-E14 PolarHBondContact O-N 3.34Å
11H96.9Very high90.7Very high88 Ų8894.5 Ų94.541%0.40749%0.486SS..Hα-helixtrans-58-50.7177.3-177.375.6000112.3T7 F8 R9 F13 E14 K15T7-H11 PolarHBondContact O-N 3.48Å; F8-H11 WeakPolarHBondContact O-CB 3.43Å; F8-H11 PolarHBondContact O-N 3.43Å; F8-H11 VanDerWaalsContact O-N 3.12Å; R9-H11 VanDerWaalsContact C-N 3.33Å; R9-H11 PolarHBondContact O-N 3.01Å; H11-F13 VanDerWaalsContact C-N 3.33Å; H11-F13 PolarHBondContact O-N 3.46Å; H11-E14 PolarHBondContact O-N 3.44Å; H11-K15 VanDerWaalsContact CE1-CD 3.44Å; H11-K15 WeakPolarHBondContact CE1-CD 3.48Å; H11-K15 VanDerWaalsContact NE2-CD 3.31Å; H11-K15 WeakPolarHBondContact NE2-CD 3.49Å; H11-K15 WeakPolarHBondContact O-CB 3.39Å; H11-K15 PolarHBondContact O-N 2.9Å
12E97.4Very high93.3Very high47 Ų4791.2 Ų91.222%0.2247%0.467CS..Hα-helixtrans-60.1-43.6-179.1-66.6-52127.100111.8F8 R9 H16 G17 Y32F8-E12 HydrophobicContact CD1-CG 4.48Å; F8-E12 HydrophobicContact CD2-CG 4.15Å; F8-E12 HydrophobicContact CE1-CG 4.05Å; F8-E12 HydrophobicContact CE2-CG 3.68Å; F8-E12 WeakPolarHBondContact CE2-OE1 3.45Å; F8-E12 HydrophobicContact CZ-CG 3.62Å; F8-E12 WeakPolarHBondContact O-CG 2.82Å; F8-E12 PolarHBondContact O-N 2.85Å; R9-E12 PolarHBondContact O-N 3.17Å; E12-H16 WeakPolarHBondContact O-CA 3.18Å; E12-H16 VanDerWaalsContact O-CB 3.3Å; E12-H16 WeakPolarHBondContact O-CB 3.21Å; E12-H16 PolarHBondContact O-N 3.45Å; E12-H16 IonicContact OE2-CD2 3.72Å; E12-H16 PolarHBondContact OE2-CD2 2.91Å; E12-G17 PolarHBondContact O-N 3.27Å; E12-G17 VanDerWaalsContact O-N 3.12Å; E12-Y32 HydrophobicContact CB-CE1 4.45Å
13F97.9Very high95.1Very high25 Ų2582.6 Ų82.611%0.1143%0.431CS..Hα-helixtrans-70-48179.4-177.2-111000112.5R9 K10 H11 K15 G17 L18 Q29 Y32 F33R9-F13 PolarHBondContact O-N 3.12Å; K10-F13 PolarHBondContact O-N 2.98Å; H11-F13 VanDerWaalsContact C-N 3.33Å; H11-F13 PolarHBondContact O-N 3.46Å; F13-K15 PolarHBondContact O-N 2.95Å; F13-G17 CarbonylContact O-C 3.48Å; F13-G17 VanDerWaalsContact O-CA 3.27Å; F13-G17 WeakPolarHBondContact O-CA 3.4Å; F13-G17 PolarHBondContact O-N 3.4Å; F13-L18 HydrophobicContact CE1-CD2 3.71Å; F13-L18 HydrophobicContact CE1-CG 4.22Å; F13-L18 HydrophobicContact CZ-CD2 3.69Å; F13-L18 HydrophobicContact CZ-CG 4.36Å; F13-L18 PolarHBondContact O-N 3.4Å; F13-Q29 HydrophobicContact CD1-CB 4.07Å; F13-Q29 HydrophobicContact CD1-CG 3.91Å; F13-Q29 HydrophobicContact CD2-CB 4.18Å; F13-Q29 HydrophobicContact CD2-CG 4.14Å; F13-Q29 HydrophobicContact CE1-CB 3.76Å; F13-Q29 HydrophobicContact CE1-CG 4.14Å; F13-Q29 HydrophobicContact CE2-CB 3.91Å; F13-Q29 HydrophobicContact CE2-CG 4.39Å; F13-Q29 HydrophobicContact CG-CB 4.26Å; F13-Q29 HydrophobicContact CG-CG 3.91Å; F13-Q29 HydrophobicContact CZ-CB 3.68Å; F13-Q29 HydrophobicContact CZ-CG 4.38Å; F13-Y32 AromaticContact CD2-CD1 3.9Å; F13-Y32 HydrophobicContact CD2-CD1 3.9Å; F13-Y32 AromaticContact CD2-CG 3.97Å; F13-Y32 HydrophobicContact CD2-CG 3.97Å; F13-Y32 HydrophobicContact CE2-CG 4.48Å; F13-F33 HydrophobicContact CB-CE2 4.01Å; F13-F33 HydrophobicContact CB-CZ 3.99Å
14E97.9Very high96Very high107 Ų10784.3 Ų84.350%0.544%0.44SS..Hα-helixtrans-66.9-37.6-177.4-71.7-179.9163.800112.3K10 H11K10-E14 WeakPolarHBondContact CE-OE1 3.37Å; K10-E14 VanDerWaalsContact CE-OE2 3.22Å; K10-E14 WeakPolarHBondContact CE-OE2 3.49Å; K10-E14 HydrophobicContact CG-CG 4.24Å; K10-E14 IonicContact NZ-OE1 3.78Å; K10-E14 WeakPolarHBondContact O-CB 3.16Å; K10-E14 WeakPolarHBondContact O-CG 3.22Å; K10-E14 PolarHBondContact O-N 3.34Å; H11-E14 PolarHBondContact O-N 3.44Å
15K97.7Very high96.1Very high118 Ų11885.8 Ų85.851%0.51344%0.442SS..Hα-helixtrans-85-35.3-177.6-172.9179.6170.3-160.10113.5H11 F13H11-K15 VanDerWaalsContact CE1-CD 3.44Å; H11-K15 WeakPolarHBondContact CE1-CD 3.48Å; H11-K15 VanDerWaalsContact NE2-CD 3.31Å; H11-K15 WeakPolarHBondContact NE2-CD 3.49Å; H11-K15 WeakPolarHBondContact O-CB 3.39Å; H11-K15 PolarHBondContact O-N 2.9Å; F13-K15 PolarHBondContact O-N 2.95Å
16H97.2Very high96.4Very high86 Ų8681 Ų8140%0.39842%0.418SS..THydrogen-bonded Turntrans-118.7-46-172.3-58.9-60.8000112.7E12 L18 C19E12-H16 WeakPolarHBondContact O-CA 3.18Å; E12-H16 VanDerWaalsContact O-CB 3.3Å; E12-H16 WeakPolarHBondContact O-CB 3.21Å; E12-H16 PolarHBondContact O-N 3.45Å; E12-H16 IonicContact OE2-CD2 3.72Å; E12-H16 PolarHBondContact OE2-CD2 2.91Å; H16-L18 PolarHBondContact O-N 2.99Å; H16-C19 PolarHBondContact O-N 3.12Å
17G97.3Very high96.5Very high0 Ų082.7 Ų82.70%041%0.414CS..G310 helixtrans-62.4-41-177.400000114.4E12 F13 C19 A20 Y32E12-G17 PolarHBondContact O-N 3.27Å; E12-G17 VanDerWaalsContact O-N 3.12Å; F13-G17 CarbonylContact O-C 3.48Å; F13-G17 VanDerWaalsContact O-CA 3.27Å; F13-G17 WeakPolarHBondContact O-CA 3.4Å; F13-G17 PolarHBondContact O-N 3.4Å; G17-C19 PolarHBondContact O-N 3.38Å; G17-C19 VanDerWaalsContact O-N 3.17Å; G17-A20 PolarHBondContact O-N 2.94Å; G17-Y32 VanDerWaalsContact CA-CD2 3.47Å; G17-Y32 VanDerWaalsContact CA-CE2 3.44Å
18L97.8Very high96.6Very high88 Ų8881.6 Ų81.646%0.46141%0.405SS..G310 helixtrans-61.5-23.8178.7-70.1179.3000113.7F13 H16 A20 V21F13-L18 HydrophobicContact CE1-CD2 3.71Å; F13-L18 HydrophobicContact CE1-CG 4.22Å; F13-L18 HydrophobicContact CZ-CD2 3.69Å; F13-L18 HydrophobicContact CZ-CG 4.36Å; F13-L18 PolarHBondContact O-N 3.4Å; H16-L18 PolarHBondContact O-N 2.99Å; L18-A20 VanDerWaalsContact C-N 3.25Å; L18-A20 PolarHBondContact O-N 3.46Å; L18-V21 HydrophobicContact CD2-CG1 4.47Å; L18-V21 WeakPolarHBondContact O-CG1 3.45Å; L18-V21 WeakPolarHBondContact O-CG2 3.34Å
19C97.6Very high96.6Very high112 Ų11281.6 Ų81.676%0.75741%0.407SS*.G310 helixtrans-78.6-7.9176.9-62.10000113.5H16 G17H16-C19 PolarHBondContact O-N 3.12Å; G17-C19 PolarHBondContact O-N 3.38Å; G17-C19 VanDerWaalsContact O-N 3.17Å
20A95.7Very high96.7Very high36 Ų3684 Ų8430%0.29842%0.417SS..G310 helixtrans-110.67.8-17700000113.1G17 L18 E22 D23 V26G17-A20 PolarHBondContact O-N 2.94Å; L18-A20 VanDerWaalsContact C-N 3.25Å; L18-A20 PolarHBondContact O-N 3.46Å; A20-E22 PolarHBondContact O-N 2.95Å; A20-D23 WeakPolarHBondContact O-CB 3.3Å; A20-D23 PolarHBondContact O-N 2.94Å; A20-V26 HydrophobicContact CB-CG2 3.69Å; A20-V26 WeakPolarHBondContact O-CG2 3.44Å
21V95.1Very high96.8Very high62 Ų6278.6 Ų78.638%0.37640%0.396SS..THydrogen-bonded Turntrans-66.4-13.4-170-63.70000115.1L18 D23 F27L18-V21 HydrophobicContact CD2-CG1 4.47Å; L18-V21 WeakPolarHBondContact O-CG1 3.45Å; L18-V21 WeakPolarHBondContact O-CG2 3.34Å; V21-D23 PolarHBondContact O-N 2.95Å; V21-F27 WeakPolarHBondContact O-CA 3.39Å; V21-F27 WeakPolarHBondContact O-CB 3.39Å
22E95.8Very high96.9Very high173 Ų17377 Ų7781%0.80839%0.387SS*.THydrogen-bonded Turntrans-69.8-21.1171.4-63.3-177.7170.800112.6A20A20-E22 PolarHBondContact O-N 2.95Å
23D96.3Very high96.9Very high32 Ų3277.1 Ų77.117%0.17139%0.386CS..SBendtrans-80.8123.6177.8-175.5-61.5000111A20 V21 Q25 V26 F27 H106A20-D23 WeakPolarHBondContact O-CB 3.3Å; A20-D23 PolarHBondContact O-N 2.94Å; V21-D23 PolarHBondContact O-N 2.95Å; D23-Q25 PolarHBondContact O-N 3.06Å; D23-Q25 VanDerWaalsContact O-N 3.1Å; D23-Q25 WeakPolarHBondContact OD1-CA 3.27Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.45Å; D23-Q25 PolarHBondContact OD1-N 3.49Å; D23-V26 HydrophobicContact CB-CG2 3.68Å; D23-V26 CarbonylContact O-C 3.52Å; D23-V26 PolarHBondContact O-N 3.08Å; D23-V26 VanDerWaalsContact O-N 3.08Å; D23-F27 WeakPolarHBondContact O-CA 3.29Å; D23-F27 WeakPolarHBondContact O-CB 3.4Å; D23-F27 PolarHBondContact O-N 3.1Å; D23-H106 VanDerWaalsContact CG-CE1 3.44Å; D23-H106 IonicContact OD1-CE1 3.4Å; D23-H106 PolarHBondContact OD1-CE1 2.89Å; D23-H106 VanDerWaalsContact OD1-CE1 3.26Å; D23-H106 IonicContact OD1-NE2 2.79Å; D23-H106 IonicContact OD2-CE1 3.45Å; D23-H106 PolarHBondContact OD2-CE1 3.27Å; D23-H106 IonicContact OD2-NE2 3.26Å; D23-H106 PolarHBondContact OD2-NE2 2.53Å
24P95.4Very high96.9Very high109 Ų10980.4 Ų80.471%0.70840%0.401SS*.THydrogen-bonded Turntrans-61.8-18.9-177.1-24.434.1000116.1F27P24-F27 WeakPolarHBondContact O-CD1 3.49Å
25Q94.3Very high96.9Very high107 Ų10777.1 Ų77.150%0.539%0.385SS..THydrogen-bonded Turntrans-85.6-25.3177.2-58.8-166.645.500112.2D23 G31 F35 H106D23-Q25 PolarHBondContact O-N 3.06Å; D23-Q25 VanDerWaalsContact O-N 3.1Å; D23-Q25 WeakPolarHBondContact OD1-CA 3.27Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.45Å; D23-Q25 PolarHBondContact OD1-N 3.49Å; Q25-G31 CarbonylContact O-C 3.46Å; Q25-G31 WeakPolarHBondContact O-CA 3.29Å; Q25-F35 HydrophobicContact CB-CD2 4.36Å; Q25-H106 PolarHBondContact NE2-ND1 2.97Å
26V95.8Very high96.8Very high8 Ų873.2 Ų73.25%0.04838%0.378CS..THydrogen-bonded Turntrans-123.819.3-176.7-57.20000113.7A20 D23 N28 F35A20-V26 HydrophobicContact CB-CG2 3.69Å; A20-V26 WeakPolarHBondContact O-CG2 3.44Å; D23-V26 HydrophobicContact CB-CG2 3.68Å; D23-V26 CarbonylContact O-C 3.52Å; D23-V26 PolarHBondContact O-N 3.08Å; D23-V26 VanDerWaalsContact O-N 3.08Å; V26-N28 PolarHBondContact O-N 2.89Å; V26-F35 HydrophobicContact CG1-CB 3.53Å; V26-F35 HydrophobicContact CG1-CD1 4.05Å; V26-F35 HydrophobicContact CG1-CD2 4.34Å; V26-F35 HydrophobicContact CG1-CG 3.72Å
27F96.6Very high96.8Very high120 Ų12073 Ų7353%0.52638%0.378SS..SBendtrans-58.2-13.6-177.476.7-80.4000116V21 D23 P24V21-F27 WeakPolarHBondContact O-CA 3.39Å; V21-F27 WeakPolarHBondContact O-CB 3.39Å; D23-F27 WeakPolarHBondContact O-CA 3.29Å; D23-F27 WeakPolarHBondContact O-CB 3.4Å; D23-F27 PolarHBondContact O-N 3.1Å; P24-F27 WeakPolarHBondContact O-CD1 3.49Å
28N97.3Very high96.8Very high55 Ų5577.7 Ų77.729%0.29440%0.401SS..SBendtrans-146.2175176.666.738.7000111.1V26 Y30 G31 Y32V26-N28 PolarHBondContact O-N 2.89Å; N28-Y30 VanDerWaalsContact C-N 3.31Å; N28-Y30 PolarHBondContact O-N 3.5Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.48Å; N28-Y30 PolarHBondContact OD1-N 3.41Å; N28-G31 PolarHBondContact O-N 2.75Å; N28-G31 PolarHBondContact OD1-N 3.26Å; N28-Y32 PolarHBondContact O-N 3.36Å
29Q97.4Very high96.7Very high105 Ų10575.6 Ų75.649%0.49139%0.39SS..Hα-helixtrans-55.3-43.3-178.9-170.6-178.7-3.900113.2F13 F33F13-Q29 HydrophobicContact CD1-CB 4.07Å; F13-Q29 HydrophobicContact CD1-CG 3.91Å; F13-Q29 HydrophobicContact CD2-CB 4.18Å; F13-Q29 HydrophobicContact CD2-CG 4.14Å; F13-Q29 HydrophobicContact CE1-CB 3.76Å; F13-Q29 HydrophobicContact CE1-CG 4.14Å; F13-Q29 HydrophobicContact CE2-CB 3.91Å; F13-Q29 HydrophobicContact CE2-CG 4.39Å; F13-Q29 HydrophobicContact CG-CB 4.26Å; F13-Q29 HydrophobicContact CG-CG 3.91Å; F13-Q29 HydrophobicContact CZ-CB 3.68Å; F13-Q29 HydrophobicContact CZ-CG 4.38Å; Q29-F33 HydrophobicContact CG-CD2 3.86Å; Q29-F33 HydrophobicContact CG-CE2 3.64Å; Q29-F33 WeakPolarHBondContact O-CD2 3.25Å; Q29-F33 PolarHBondContact O-N 2.94Å
30Y97.8Very high96.6Very high166 Ų16676.2 Ų76.265%0.65138%0.383SS*.Hα-helixtrans-64.2-46.4179.6174-95.2000111.4N28 F33 K34N28-Y30 VanDerWaalsContact C-N 3.31Å; N28-Y30 PolarHBondContact O-N 3.5Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.48Å; N28-Y30 PolarHBondContact OD1-N 3.41Å; Y30-F33 PolarHBondContact O-N 3Å; Y30-K34 HydrophobicContact CE1-CD 3.76Å; Y30-K34 WeakPolarHBondContact O-CB 3.47Å; Y30-K34 PolarHBondContact O-N 3.09Å
31G97.8Very high96.6Very high7 Ų780.7 Ų80.77%0.07240%0.398CS..Hα-helixtrans-59.2-48.5176.900000112.2Q25 N28 F33 K34 F35Q25-G31 CarbonylContact O-C 3.46Å; Q25-G31 WeakPolarHBondContact O-CA 3.29Å; N28-G31 PolarHBondContact O-N 2.75Å; N28-G31 PolarHBondContact OD1-N 3.26Å; G31-F33 PolarHBondContact O-N 3.44Å; G31-K34 PolarHBondContact O-N 2.99Å; G31-F35 VanDerWaalsContact O-CB 3.28Å; G31-F35 WeakPolarHBondContact O-CB 3.46Å; G31-F35 PolarHBondContact O-N 3.45Å
32Y98Very high96.6Very high55 Ų5585.2 Ų85.222%0.21641%0.412CS..Hα-helixtrans-53.9-52.1178.1178-99000112.6E12 F13 G17 N28 G36E12-Y32 HydrophobicContact CB-CE1 4.45Å; F13-Y32 AromaticContact CD2-CD1 3.9Å; F13-Y32 HydrophobicContact CD2-CD1 3.9Å; F13-Y32 AromaticContact CD2-CG 3.97Å; F13-Y32 HydrophobicContact CD2-CG 3.97Å; F13-Y32 HydrophobicContact CE2-CG 4.48Å; G17-Y32 VanDerWaalsContact CA-CD2 3.47Å; G17-Y32 VanDerWaalsContact CA-CE2 3.44Å; N28-Y32 PolarHBondContact O-N 3.36Å; Y32-G36 PolarHBondContact O-N 3.29Å; Y32-G36 VanDerWaalsContact O-N 3.09Å
33F98Very high96.5Very high48 Ų4878.2 Ų78.221%0.21138%0.38CS..Hα-helixtrans-71.2-38.5179.9-73-63.2000113R9 F13 Q29 Y30 G31 F35 G36 I37R9-F33 HydrophobicContact CB-CE1 4.01Å; R9-F33 HydrophobicContact CB-CE2 4.42Å; R9-F33 HydrophobicContact CB-CZ 3.66Å; R9-F33 HydrophobicContact CG-CE1 3.87Å; R9-F33 HydrophobicContact CG-CZ 4.05Å; R9-F33 WeakPolarHBondContact O-CZ 3.44Å; F13-F33 HydrophobicContact CB-CE2 4.01Å; F13-F33 HydrophobicContact CB-CZ 3.99Å; Q29-F33 HydrophobicContact CG-CD2 3.86Å; Q29-F33 HydrophobicContact CG-CE2 3.64Å; Q29-F33 WeakPolarHBondContact O-CD2 3.25Å; Q29-F33 PolarHBondContact O-N 2.94Å; Y30-F33 PolarHBondContact O-N 3Å; G31-F33 PolarHBondContact O-N 3.44Å; F33-F35 VanDerWaalsContact C-N 3.35Å; F33-G36 PolarHBondContact O-N 2.86Å; F33-I37 WeakPolarHBondContact O-CB 3.28Å; F33-I37 WeakPolarHBondContact O-CD1 3.39Å; F33-I37 VanDerWaalsContact O-CG1 3.25Å; F33-I37 WeakPolarHBondContact O-CG1 3.43Å; F33-I37 PolarHBondContact O-N 3.42Å
34K98Very high96.4Very high95 Ų9580.3 Ų80.341%0.41339%0.391SS..Hα-helixtrans-59.8-47.5176.5179.5179.7176.3-178.50110.8Y30 G31 I37 Q38Y30-K34 HydrophobicContact CE1-CD 3.76Å; Y30-K34 WeakPolarHBondContact O-CB 3.47Å; Y30-K34 PolarHBondContact O-N 3.09Å; G31-K34 PolarHBondContact O-N 2.99Å; K34-I37 PolarHBondContact O-N 2.96Å; K34-Q38 WeakPolarHBondContact O-CB 3.31Å; K34-Q38 VanDerWaalsContact O-CG 3.29Å; K34-Q38 WeakPolarHBondContact O-CG 3.44Å; K34-Q38 PolarHBondContact O-N 3.34Å
35F97.3Very high96.3Very high38 Ų3877 Ų7717%0.16737%0.368CS..Hα-helixtrans-59.4-50.6178-179.5-92.4000111.4Q25 V26 G31 F33 I37 Q38 L39 L102 H106Q25-F35 HydrophobicContact CB-CD2 4.36Å; V26-F35 HydrophobicContact CG1-CB 3.53Å; V26-F35 HydrophobicContact CG1-CD1 4.05Å; V26-F35 HydrophobicContact CG1-CD2 4.34Å; V26-F35 HydrophobicContact CG1-CG 3.72Å; G31-F35 VanDerWaalsContact O-CB 3.28Å; G31-F35 WeakPolarHBondContact O-CB 3.46Å; G31-F35 PolarHBondContact O-N 3.45Å; F33-F35 VanDerWaalsContact C-N 3.35Å; F35-I37 PolarHBondContact O-N 3.38Å; F35-Q38 PolarHBondContact O-N 3.04Å; F35-L39 HydrophobicContact CE1-CD2 4.21Å; F35-L39 WeakPolarHBondContact O-CB 3.14Å; F35-L39 PolarHBondContact O-N 3.49Å; F35-L102 HydrophobicContact CE1-CD1 4.01Å; F35-L102 HydrophobicContact CZ-CD1 3.79Å; F35-H106 HydrophobicContact CE2-CB 3.96Å; F35-H106 AromaticContact CE2-CD2 3.54Å; F35-H106 AromaticContact CE2-CE1 3.92Å; F35-H106 AromaticContact CE2-CG 3.49Å; F35-H106 VanDerWaalsContact CE2-CG 3.49Å; F35-H106 AromaticContact CE2-ND1 3.74Å; F35-H106 AromaticContact CE2-NE2 3.78Å; F35-H106 HydrophobicContact CZ-CB 3.96Å; F35-H106 AromaticContact CZ-CD2 3.29Å; F35-H106 WeakPolarHBondContact CZ-CD2 3.32Å; F35-H106 AromaticContact CZ-CG 3.61Å; F35-H106 AromaticContact CZ-NE2 3.82Å
36G96.5Very high96.4Very high36 Ų3676 Ų7637%0.37137%0.366SS..Hα-helixtrans-59.3-42.1179.300000113.4Y32 F33 L39 M40Y32-G36 PolarHBondContact O-N 3.29Å; Y32-G36 VanDerWaalsContact O-N 3.09Å; F33-G36 PolarHBondContact O-N 2.86Å; G36-L39 PolarHBondContact O-N 3Å; G36-M40 WeakPolarHBondContact O-CB 3.29Å; G36-M40 PolarHBondContact O-N 2.96Å
37I97.5Very high96.4Very high80 Ų8082.6 Ų82.641%0.4139%0.393SS..Hα-helixtrans-65.9-45.1177.3-68.6166.2000111.2F33 K34 F35 L39 M40 Q41F33-I37 WeakPolarHBondContact O-CB 3.28Å; F33-I37 WeakPolarHBondContact O-CD1 3.39Å; F33-I37 VanDerWaalsContact O-CG1 3.25Å; F33-I37 WeakPolarHBondContact O-CG1 3.43Å; F33-I37 PolarHBondContact O-N 3.42Å; K34-I37 PolarHBondContact O-N 2.96Å; F35-I37 PolarHBondContact O-N 3.38Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 3.26Å; I37-M40 PolarHBondContact O-N 3.39Å; I37-Q41 WeakPolarHBondContact O-CG 3.33Å; I37-Q41 PolarHBondContact O-N 2.97Å
38Q97.2Very high96.4Very high99 Ų9977.7 Ų77.746%0.46337%0.373SS..Hα-helixtrans-63-41.3178.1-73.7179.1-36.700111.5K34 F35 Q41 K42K34-Q38 WeakPolarHBondContact O-CB 3.31Å; K34-Q38 VanDerWaalsContact O-CG 3.29Å; K34-Q38 WeakPolarHBondContact O-CG 3.44Å; K34-Q38 PolarHBondContact O-N 3.34Å; F35-Q38 PolarHBondContact O-N 3.04Å; Q38-Q41 PolarHBondContact O-N 3.47Å; Q38-K42 WeakPolarHBondContact O-CB 3.36Å; Q38-K42 PolarHBondContact O-N 2.88Å
39L95.8Very high96.3Very high44 Ų4475.3 Ų75.323%0.2336%0.361CS..Hα-helixtrans-62.1-47.4175.7-176.464.3000111.3F35 G36 I37 Q41 K42 L43 L102 F108F35-L39 HydrophobicContact CE1-CD2 4.21Å; F35-L39 WeakPolarHBondContact O-CB 3.14Å; F35-L39 PolarHBondContact O-N 3.49Å; G36-L39 PolarHBondContact O-N 3Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 3.26Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 2.99Å; L39-K42 PolarHBondContact O-N 3.01Å; L39-L43 HydrophobicContact CD1-CD1 4.23Å; L39-L43 HydrophobicContact CD1-CG 4.24Å; L39-L43 HydrophobicContact CG-CD1 3.91Å; L39-L43 HydrophobicContact CG-CG 4.35Å; L39-L43 WeakPolarHBondContact O-CB 3.41Å; L39-L43 VanDerWaalsContact O-CG 3.26Å; L39-L43 WeakPolarHBondContact O-CG 3.28Å; L39-L43 PolarHBondContact O-N 2.97Å; L39-L102 HydrophobicContact CD1-CD1 4.05Å; L39-L102 HydrophobicContact CD2-CD1 3.6Å; L39-L102 HydrophobicContact CG-CD1 4.48Å; L39-F108 HydrophobicContact CD1-CE1 4.46Å
40M95.4Very high96.3Very high126 Ų12674.8 Ų74.862%0.62136%0.359SS*.Hα-helixtrans-57-45.2176.6-177.9-166.172.200111.9G36 I37 N44G36-M40 WeakPolarHBondContact O-CB 3.29Å; G36-M40 PolarHBondContact O-N 2.96Å; I37-M40 PolarHBondContact O-N 3.39Å; M40-N44 PolarHBondContact O-N 3.33Å
41Q96.2Very high96.3Very high129 Ų12973.2 Ų73.260%0.60336%0.356SS*.Hα-helixtrans-64-42.5178.1-73.1175.1-9.900112.2I37 Q38 L39I37-Q41 WeakPolarHBondContact O-CG 3.33Å; I37-Q41 PolarHBondContact O-N 2.97Å; Q38-Q41 PolarHBondContact O-N 3.47Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 2.99Å
42K93.9Very high96.2Very high158 Ų15874.9 Ų74.969%0.68736%0.36SS*.Hα-helixtrans-64.9-44.5178.1-177.5-178.1176.5-174.40111.9Q38 L39Q38-K42 WeakPolarHBondContact O-CB 3.36Å; Q38-K42 PolarHBondContact O-N 2.88Å; L39-K42 PolarHBondContact O-N 3.01Å
43L93.6Very high96.2Very high25 Ų2579.8 Ų79.813%0.13138%0.383CS..Hα-helixtrans-64.3-40.6179.7-72.7172.6000112L39 L45 T48 F75 V100 F108L39-L43 HydrophobicContact CD1-CD1 4.23Å; L39-L43 HydrophobicContact CD1-CG 4.24Å; L39-L43 HydrophobicContact CG-CD1 3.91Å; L39-L43 HydrophobicContact CG-CG 4.35Å; L39-L43 WeakPolarHBondContact O-CB 3.41Å; L39-L43 VanDerWaalsContact O-CG 3.26Å; L39-L43 WeakPolarHBondContact O-CG 3.28Å; L39-L43 PolarHBondContact O-N 2.97Å; L43-L45 PolarHBondContact O-N 2.84Å; L43-L45 VanDerWaalsContact O-N 3.09Å; L43-T48 PolarHBondContact O-OG1 2.95Å; L43-F75 HydrophobicContact CD2-CD1 3.88Å; L43-F75 HydrophobicContact CD2-CE1 3.27Å; L43-F75 HydrophobicContact CD2-CE2 4.47Å; L43-F75 HydrophobicContact CD2-CZ 3.62Å; L43-V100 HydrophobicContact CD1-CG2 4.18Å; L43-V100 HydrophobicContact CD2-CG1 4.41Å; L43-V100 HydrophobicContact CD2-CG2 4.3Å; L43-F108 HydrophobicContact CD2-CE1 3.62Å; L43-F108 HydrophobicContact CD2-CZ 3.51Å
44N93.8Very high96.2Very high76 Ų7677.5 Ų77.541%0.40637%0.372SS..  trans41.947.2-177-160.1-12.7000112.8M40 L46 K47 T48M40-N44 PolarHBondContact O-N 3.33Å; N44-L46 VanDerWaalsContact C-N 3.3Å; N44-L46 PolarHBondContact O-N 3.39Å; N44-K47 PolarHBondContact O-N 3.17Å; N44-K47 VanDerWaalsContact OD1-CB 3.22Å; N44-K47 WeakPolarHBondContact OD1-CB 3.37Å; N44-T48 PolarHBondContact O-N 3.07Å; N44-T48 VanDerWaalsContact O-N 3.07Å; N44-T48 PolarHBondContact O-OG1 2.9Å
45L94.9Very high96.1Very high41 Ų4174.4 Ų74.422%0.21536%0.363CS..Hα-helixtrans-56.6-41.8-162.4-17963.5000112.7L43 K47 T48 L49 L71 F75 V98L43-L45 PolarHBondContact O-N 2.84Å; L43-L45 VanDerWaalsContact O-N 3.09Å; L45-K47 PolarHBondContact O-N 3.47Å; L45-T48 WeakPolarHBondContact O-CB 3.44Å; L45-T48 PolarHBondContact O-N 3.35Å; L45-L49 HydrophobicContact CD1-CD1 4.41Å; L45-L49 HydrophobicContact CD1-CD2 4.41Å; L45-L49 HydrophobicContact CD1-CG 4.14Å; L45-L49 HydrophobicContact CG-CD1 4.11Å; L45-L49 HydrophobicContact CG-CG 4.25Å; L45-L49 VanDerWaalsContact O-CG 3.31Å; L45-L49 WeakPolarHBondContact O-CG 3.05Å; L45-L49 PolarHBondContact O-N 3.4Å; L45-L71 HydrophobicContact CD1-CD2 3.77Å; L45-F75 HydrophobicContact CD1-CE2 4.26Å; L45-F75 HydrophobicContact CD1-CZ 4.21Å; L45-V98 HydrophobicContact CD2-CB 3.68Å; L45-V98 HydrophobicContact CD2-CG1 3.69Å; L45-V98 HydrophobicContact CD2-CG2 4.28Å
46L95.5Very high96.1Very high86 Ų8674.9 Ų74.945%0.4537%0.37SS..Hα-helixtrans-59.5-46.8178.9177.859.5000111.9N44 T48 L49 M50 P56 F123N44-L46 VanDerWaalsContact C-N 3.3Å; N44-L46 PolarHBondContact O-N 3.39Å; L46-T48 VanDerWaalsContact C-N 3.29Å; L46-T48 PolarHBondContact O-N 3.07Å; L46-L49 PolarHBondContact O-N 3.14Å; L46-M50 HydrophobicContact CD1-CG 4.17Å; L46-M50 HydrophobicContact CD1-SD 3.99Å; L46-M50 HydrophobicContact CG-SD 3.94Å; L46-M50 WeakPolarHBondContact O-CB 3.49Å; L46-M50 VanDerWaalsContact O-CG 3.26Å; L46-M50 WeakPolarHBondContact O-CG 3.1Å; L46-M50 PolarHBondContact O-N 2.81Å; L46-P56 HydrophobicContact CD1-CG 4.2Å; L46-F123 HydrophobicContact CD1-CE1 4.01Å; L46-F123 HydrophobicContact CD1-CZ 4.04Å
47K96.3Very high96Very high145 Ų14576.4 Ų76.463%0.6337%0.367SS*.Hα-helixtrans-62.6-40.4177.7-173179.4-179.4179.90111N44 L45 M50 K51N44-K47 PolarHBondContact O-N 3.17Å; N44-K47 VanDerWaalsContact OD1-CB 3.22Å; N44-K47 WeakPolarHBondContact OD1-CB 3.37Å; L45-K47 PolarHBondContact O-N 3.47Å; K47-M50 PolarHBondContact O-N 2.97Å; K47-K51 PolarHBondContact O-N 2.9Å
48T95.2Very high95.6Very high18 Ų1877.2 Ų77.211%0.1137%0.373CS..Hα-helixtrans-60.2-50.6175.1-590000111.1L43 N44 L45 L46 M50 K51 Y52 V70 E74L43-T48 PolarHBondContact O-OG1 2.95Å; N44-T48 PolarHBondContact O-N 3.07Å; N44-T48 VanDerWaalsContact O-N 3.07Å; N44-T48 PolarHBondContact O-OG1 2.9Å; L45-T48 WeakPolarHBondContact O-CB 3.44Å; L45-T48 PolarHBondContact O-N 3.35Å; L46-T48 VanDerWaalsContact C-N 3.29Å; L46-T48 PolarHBondContact O-N 3.07Å; T48-M50 VanDerWaalsContact C-N 3.34Å; T48-M50 PolarHBondContact O-N 2.92Å; T48-K51 WeakPolarHBondContact O-CB 3.11Å; T48-K51 PolarHBondContact O-N 3.23Å; T48-Y52 VanDerWaalsContact O-CD2 3.29Å; T48-Y52 WeakPolarHBondContact O-CD2 3.27Å; T48-Y52 PolarHBondContact O-N 2.79Å; T48-V70 HydrophobicContact CG2-CG1 4.49Å; T48-E74 HydrophobicContact CG2-CB 3.86Å; T48-E74 HydrophobicContact CG2-CG 3.47Å; T48-E74 VanDerWaalsContact CG2-CG 3.47Å
49L97Very high95.2Very high5 Ų576 Ų763%0.02638%0.375CS..Hα-helixtrans-60-43177.5-67.1179.4000112.1L45 L46 K51 Y52 K53 I54 L67 V70L45-L49 HydrophobicContact CD1-CD1 4.41Å; L45-L49 HydrophobicContact CD1-CD2 4.41Å; L45-L49 HydrophobicContact CD1-CG 4.14Å; L45-L49 HydrophobicContact CG-CD1 4.11Å; L45-L49 HydrophobicContact CG-CG 4.25Å; L45-L49 VanDerWaalsContact O-CG 3.31Å; L45-L49 WeakPolarHBondContact O-CG 3.05Å; L45-L49 PolarHBondContact O-N 3.4Å; L46-L49 PolarHBondContact O-N 3.14Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.05Å; L49-Y52 CarbonylContact O-C 3.44Å; L49-Y52 WeakPolarHBondContact O-CA 3.28Å; L49-Y52 PolarHBondContact O-N 3.48Å; L49-K53 PolarHBondContact O-N 3.15Å; L49-I54 CarbonylContact C-O 3.59Å; L49-I54 HydrophobicContact CB-CB 4.12Å; L49-I54 HydrophobicContact CB-CG2 4.36Å; L49-I54 WeakPolarHBondContact CB-O 3.02Å; L49-I54 HydrophobicContact CD2-CD1 4.38Å; L49-I54 PolarHBondContact O-N 3.26Å; L49-I54 VanDerWaalsContact O-O 3.12Å; L49-L67 HydrophobicContact CD1-CD1 4.44Å; L49-L67 HydrophobicContact CD2-CD1 3.38Å; L49-V70 HydrophobicContact CD2-CG1 4.09Å
50M96.7Very high95.2Very high94 Ų9479.4 Ų79.446%0.46339%0.385SS..Hα-helixtrans-64.7-35.4179.1-71.5175.16900113L46 K47 T48 Y52 K53 I54L46-M50 HydrophobicContact CD1-CG 4.17Å; L46-M50 HydrophobicContact CD1-SD 3.99Å; L46-M50 HydrophobicContact CG-SD 3.94Å; L46-M50 WeakPolarHBondContact O-CB 3.49Å; L46-M50 VanDerWaalsContact O-CG 3.26Å; L46-M50 WeakPolarHBondContact O-CG 3.1Å; L46-M50 PolarHBondContact O-N 2.81Å; K47-M50 PolarHBondContact O-N 2.97Å; T48-M50 VanDerWaalsContact C-N 3.34Å; T48-M50 PolarHBondContact O-N 2.92Å; M50-Y52 PolarHBondContact O-N 3.17Å; M50-K53 PolarHBondContact O-N 3.09Å; M50-I54 WeakPolarHBondContact CA-O 3.22Å; M50-I54 PolarHBondContact N-O 3.04Å
51K96.9Very high95.2Very high132 Ų13278.9 Ų78.957%0.57438%0.381SS*.Hα-helixtrans-56-35.2171.8174.8-170.3171.5-164.20111.2K47 T48 L49 E74K47-K51 PolarHBondContact O-N 2.9Å; T48-K51 WeakPolarHBondContact O-CB 3.11Å; T48-K51 PolarHBondContact O-N 3.23Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.05Å; K51-E74 IonicContact NZ-OE1 2.8Å; K51-E74 PolarHBondContact NZ-OE1 2.95Å; K51-E74 IonicContact NZ-OE2 3.58Å
52Y97.2Very high95.2Very high42 Ų4273.4 Ų73.417%0.16536%0.355CS..THydrogen-bonded Turntrans-94.719.5175.9-67.6-81.9000114.5T48 L49 M50 I54 V70 R73 E74T48-Y52 VanDerWaalsContact O-CD2 3.29Å; T48-Y52 WeakPolarHBondContact O-CD2 3.27Å; T48-Y52 PolarHBondContact O-N 2.79Å; L49-Y52 CarbonylContact O-C 3.44Å; L49-Y52 WeakPolarHBondContact O-CA 3.28Å; L49-Y52 PolarHBondContact O-N 3.48Å; M50-Y52 PolarHBondContact O-N 3.17Å; Y52-I54 PolarHBondContact O-N 3.07Å; Y52-V70 VanDerWaalsContact CB-CG2 3.49Å; Y52-V70 HydrophobicContact CD1-CG2 3.92Å; Y52-V70 HydrophobicContact CD2-CB 4.37Å; Y52-V70 HydrophobicContact CD2-CG1 3.49Å; Y52-V70 VanDerWaalsContact CD2-CG1 3.49Å; Y52-V70 HydrophobicContact CD2-CG2 4.01Å; Y52-V70 HydrophobicContact CE2-CG1 4.08Å; Y52-V70 HydrophobicContact CG-CB 4.37Å; Y52-V70 HydrophobicContact CG-CG1 3.92Å; Y52-V70 HydrophobicContact CG-CG2 3.53Å; Y52-R73 WeakPolarHBondContact OH-CD 3.21Å; Y52-R73 PolarHBondContact OH-NE 3.2Å; Y52-E74 HydrophobicContact CE2-CG 3.59Å; Y52-E74 WeakPolarHBondContact CE2-OE1 3.26Å; Y52-E74 PolarHBondContact OH-OE1 3.37Å
53K97.2Very high95.4Very high158 Ų15869.7 Ų69.769%0.68734%0.342SS*.THydrogen-bonded Turntrans64.216.6176.6-47.9-59-176.9-178.30114.7L49 M50 Y62L49-K53 PolarHBondContact O-N 3.15Å; M50-K53 PolarHBondContact O-N 3.09Å; K53-Y62 VanDerWaalsContact O-CE1 3.3Å; K53-Y62 WeakPolarHBondContact O-CE1 3.33Å; K53-Y62 PolarHBondContact O-OH 2.78Å
54I97.5Very high95.6Very high0 Ų069.5 Ų69.50%034%0.342CS..  trans-92.7101.5167-56175.3000107.2L49 M50 Y52 Y62 L67 V70 F123L49-I54 CarbonylContact C-O 3.59Å; L49-I54 HydrophobicContact CB-CB 4.12Å; L49-I54 HydrophobicContact CB-CG2 4.36Å; L49-I54 WeakPolarHBondContact CB-O 3.02Å; L49-I54 HydrophobicContact CD2-CD1 4.38Å; L49-I54 PolarHBondContact O-N 3.26Å; L49-I54 VanDerWaalsContact O-O 3.12Å; M50-I54 WeakPolarHBondContact CA-O 3.22Å; M50-I54 PolarHBondContact N-O 3.04Å; Y52-I54 PolarHBondContact O-N 3.07Å; I54-Y62 HydrophobicContact CB-CD1 4.39Å; I54-Y62 HydrophobicContact CB-CE1 4.3Å; I54-Y62 HydrophobicContact CG1-CD1 4.06Å; I54-Y62 HydrophobicContact CG1-CE1 4.3Å; I54-Y62 HydrophobicContact CG2-CD1 4.24Å; I54-Y62 HydrophobicContact CG2-CE1 4.33Å; I54-Y62 HydrophobicContact CG2-CG 4.31Å; I54-L67 HydrophobicContact CD1-CB 4.24Å; I54-L67 HydrophobicContact CD1-CD1 4.17Å; I54-V70 HydrophobicContact CD1-CG2 4.23Å; I54-F123 HydrophobicContact CG2-CD1 4.33Å
55S96.7Very high95.7Very high30 Ų3071.9 Ų71.921%0.2135%0.354CS..  trans-132.2153.4-172.857.30000110.2H57 Y62S55-H57 PolarHBondContact O-N 3.41Å; S55-Y62 PolarHBondContact N-OH 3.25Å; S55-Y62 PolarHBondContact O-OH 3.28Å; S55-Y62 PolarHBondContact OG-OH 3.49Å
56P96.8Very high95.9Very high49 Ų4973.4 Ų73.432%0.31836%0.362SS..  trans-57.4131.2175.7-19.829.3000111.9L46 F123 P125L46-P56 HydrophobicContact CD1-CG 4.2Å; P56-F123 CarbonylContact C-O 3.58Å; P56-F123 VanDerWaalsContact CA-O 3.22Å; P56-F123 WeakPolarHBondContact CA-O 3.31Å; P56-F123 HydrophobicContact CB-CE1 4.44Å; P56-F123 HydrophobicContact CG-CD1 4.19Å; P56-F123 HydrophobicContact CG-CE1 3.67Å; P56-F123 HydrophobicContact CG-CE2 4.41Å; P56-F123 HydrophobicContact CG-CZ 3.79Å; P56-P125 HydrophobicContact CB-CB 4.17Å
57H94.7Very high96Very high67 Ų6769.3 Ų69.331%0.3134%0.34SS..  trans-159.9138.9-177.7-164.5-50.8000111.3S55 S59 R60 I122 F123S55-H57 PolarHBondContact O-N 3.41Å; H57-S59 VanDerWaalsContact C-N 3.32Å; H57-S59 PolarHBondContact ND1-N 2.78Å; H57-S59 PolarHBondContact O-N 3.17Å; H57-R60 HydrophobicContact CB-CB 3.85Å; H57-R60 PolarHBondContact ND1-N 2.85Å; H57-I122 WeakPolarHBondContact O-CG2 3.42Å; H57-F123 PolarHBondContact N-O 3.23Å; H57-F123 VanDerWaalsContact O-O 3.12Å
58D88.6Confident96Very high98 Ų9864.3 Ų64.352%0.52432%0.32SS..SBendtrans-64.6-27.9-172.6-66.6-46.9000116.3P125D58-P125 WeakPolarHBondContact OD1-CD 3.08Å; D58-P125 WeakPolarHBondContact OD1-CG 3.42Å
59S90.1Very high96.1Very high73 Ų7367.5 Ų67.551%0.5134%0.336SS..SBendtrans-140.5-14.3-167.560.30000114.5H57 Q61H57-S59 VanDerWaalsContact C-N 3.32Å; H57-S59 PolarHBondContact ND1-N 2.78Å; H57-S59 PolarHBondContact O-N 3.17Å; S59-Q61 PolarHBondContact O-N 3.34Å
60R94.5Very high96.1Very high116 Ų11667.5 Ų67.544%0.43834%0.336SS..  trans-67.2129.1179.3-171.9-178.4-64.7177.82.3109.6H57 Y62H57-R60 HydrophobicContact CB-CB 3.85Å; H57-R60 PolarHBondContact ND1-N 2.85Å; R60-Y62 HydrophobicContact CB-CE2 4.36Å; R60-Y62 WeakPolarHBondContact CD-OH 3.08Å; R60-Y62 HydrophobicContact CG-CE1 4.4Å; R60-Y62 HydrophobicContact CG-CE2 4.32Å
61Q95.2Very high96.1Very high114 Ų11463 Ų6353%0.53331%0.314SS..EExtended strand (participates in β ladder)trans-92.8138.3173.3-69.4-177.258.400110.5S59 K120 F121 I122S59-Q61 PolarHBondContact O-N 3.34Å; Q61-K120 HydrophobicContact CB-CB 4.34Å; Q61-K120 HydrophobicContact CB-CD 4.31Å; Q61-F121 CarbonylContact C-O 3.31Å; Q61-F121 VanDerWaalsContact CA-O 3.3Å; Q61-F121 WeakPolarHBondContact CA-O 3.38Å; Q61-I122 HydrophobicContact CG-CG1 4.05Å
62Y97.5Very high96.1Very high15 Ų1561.6 Ų61.66%0.05931%0.31CS..EExtended strand (participates in β ladder)trans-116.1143.2176.7-65.6-76.4000109.7K53 I54 S55 R60 K120 F121 F123K53-Y62 VanDerWaalsContact O-CE1 3.3Å; K53-Y62 WeakPolarHBondContact O-CE1 3.33Å; K53-Y62 PolarHBondContact O-OH 2.78Å; I54-Y62 HydrophobicContact CB-CD1 4.39Å; I54-Y62 HydrophobicContact CB-CE1 4.3Å; I54-Y62 HydrophobicContact CG1-CD1 4.06Å; I54-Y62 HydrophobicContact CG1-CE1 4.3Å; I54-Y62 HydrophobicContact CG2-CD1 4.24Å; I54-Y62 HydrophobicContact CG2-CE1 4.33Å; I54-Y62 HydrophobicContact CG2-CG 4.31Å; S55-Y62 PolarHBondContact N-OH 3.25Å; S55-Y62 PolarHBondContact O-OH 3.28Å; S55-Y62 PolarHBondContact OG-OH 3.49Å; R60-Y62 HydrophobicContact CB-CE2 4.36Å; R60-Y62 WeakPolarHBondContact CD-OH 3.08Å; R60-Y62 HydrophobicContact CG-CE1 4.4Å; R60-Y62 HydrophobicContact CG-CE2 4.32Å; Y62-K120 CarbonylContact O-C 3.55Å; Y62-K120 VanDerWaalsContact O-CA 3.22Å; Y62-K120 WeakPolarHBondContact O-CA 3.43Å; Y62-F121 HydrophobicContact CD2-CE2 4.23Å; Y62-F121 HydrophobicContact CG-CE2 4.39Å; Y62-F121 HydrophobicContact CG-CZ 4.38Å; Y62-F121 PolarHBondContact N-O 2.94Å; Y62-F121 WeakPolarHBondContact O-CD1 3.3Å; Y62-F121 PolarHBondContact O-N 3.44Å; Y62-F123 HydrophobicContact CD2-CB 4.28Å; Y62-F123 HydrophobicContact CE2-CB 4.18Å
63D97.3Very high96.1Very high79 Ų7968.2 Ų68.242%0.42233%0.334SS..EExtended strand (participates in β ladder)trans-78.6129.5173.6-65.6-65.6000110.5I65 N66 L67 K119 K120D63-I65 PolarHBondContact O-N 3.41Å; D63-N66 HydrophobicContact CB-CB 4.27Å; D63-N66 WeakPolarHBondContact O-CB 3.19Å; D63-N66 PolarHBondContact O-N 3.36Å; D63-L67 PolarHBondContact O-N 2.67Å; D63-K119 WeakPolarHBondContact CA-O 3.22Å; D63-K120 WeakPolarHBondContact OD1-CE 3.47Å; D63-K120 WeakPolarHBondContact OD1-CG 3.43Å
64T97.4Very high96Very high22 Ų2263.7 Ų63.714%0.13532%0.316CS..Hα-helixtrans-58.7-36.9177.4-63.20000111.7N66 L67 M68 C117 P118 K119 F121T64-N66 VanDerWaalsContact C-N 3.27Å; T64-N66 PolarHBondContact O-N 3.35Å; T64-L67 WeakPolarHBondContact O-CB 3.13Å; T64-L67 PolarHBondContact O-N 3.08Å; T64-L67 VanDerWaalsContact O-N 3.15Å; T64-M68 HydrophobicContact CG2-CG 4.3Å; T64-M68 WeakPolarHBondContact O-CG 3.32Å; T64-M68 PolarHBondContact O-N 3.38Å; T64-C117 HydrophobicContact CG2-CB 3.96Å; T64-P118 WeakPolarHBondContact CB-O 3.08Å; T64-P118 PolarHBondContact OG1-O 2.99Å; T64-K119 PolarHBondContact N-O 3.34Å; T64-F121 WeakPolarHBondContact OG1-CD1 3.38Å
65I97Very high95.7Very high126 Ų12664.9 Ų64.965%0.64632%0.321SS*.Hα-helixtrans-59.5-40.1175.2-65.5169.5000110.9D63 M68 N69D63-I65 PolarHBondContact O-N 3.41Å; I65-M68 PolarHBondContact O-N 3.35Å; I65-N69 WeakPolarHBondContact O-CB 3.06Å; I65-N69 PolarHBondContact O-N 3.44Å; I65-N69 PolarHBondContact O-ND2 2.91Å; I65-N69 PolarHBondContact O-OD1 3.07Å
66N97.6Very high95.7Very high72 Ų7266 Ų6639%0.38534%0.337SS..Hα-helixtrans-66.2-41.5177.4-170.934.4000111.3D63 T64 N69 V70D63-N66 HydrophobicContact CB-CB 4.27Å; D63-N66 WeakPolarHBondContact O-CB 3.19Å; D63-N66 PolarHBondContact O-N 3.36Å; T64-N66 VanDerWaalsContact C-N 3.27Å; T64-N66 PolarHBondContact O-N 3.35Å; N66-N69 PolarHBondContact O-N 2.89Å; N66-V70 VanDerWaalsContact O-CG2 3.31Å; N66-V70 WeakPolarHBondContact O-CG2 3.46Å; N66-V70 PolarHBondContact O-N 3.38Å
67L97.9Very high95.7Very high0 Ų068.3 Ų68.30%034%0.34CS..Hα-helixtrans-59.1-48.9173.5177.262.9000111.3L49 I54 D63 T64 N69 V70 L71 A81 L95 V98 F121L49-L67 HydrophobicContact CD1-CD1 4.44Å; L49-L67 HydrophobicContact CD2-CD1 3.38Å; I54-L67 HydrophobicContact CD1-CB 4.24Å; I54-L67 HydrophobicContact CD1-CD1 4.17Å; D63-L67 PolarHBondContact O-N 2.67Å; T64-L67 WeakPolarHBondContact O-CB 3.13Å; T64-L67 PolarHBondContact O-N 3.08Å; T64-L67 VanDerWaalsContact O-N 3.15Å; L67-N69 VanDerWaalsContact C-N 3.35Å; L67-N69 PolarHBondContact O-N 2.83Å; L67-V70 WeakPolarHBondContact O-CB 3.3Å; L67-V70 PolarHBondContact O-N 2.94Å; L67-V70 VanDerWaalsContact O-N 3.17Å; L67-L71 HydrophobicContact CG-CD1 4.43Å; L67-L71 WeakPolarHBondContact O-CG 3.23Å; L67-L71 PolarHBondContact O-N 3.36Å; L67-L71 VanDerWaalsContact O-N 3.1Å; L67-A81 HydrophobicContact CD2-CB 3.67Å; L67-L95 HydrophobicContact CD2-CD1 4.01Å; L67-L95 HydrophobicContact CD2-CD2 4.24Å; L67-V98 HydrophobicContact CD2-CG2 4.46Å; L67-F121 HydrophobicContact CB-CE1 4.06Å; L67-F121 HydrophobicContact CB-CZ 4.05Å; L67-F121 HydrophobicContact CD2-CE1 4.02Å; L67-F121 HydrophobicContact CD2-CZ 3.76Å; L67-F121 HydrophobicContact CG-CZ 4.41Å
68M97.3Very high95.8Very high40 Ų4067.2 Ų67.220%0.19734%0.337CS..Hα-helixtrans-61-43.4-179.9-63.4-59.296.900111.8T64 I65 V70 L71 E72 A81T64-M68 HydrophobicContact CG2-CG 4.3Å; T64-M68 WeakPolarHBondContact O-CG 3.32Å; T64-M68 PolarHBondContact O-N 3.38Å; I65-M68 PolarHBondContact O-N 3.35Å; M68-V70 VanDerWaalsContact C-N 3.29Å; M68-V70 PolarHBondContact O-N 3.45Å; M68-L71 HydrophobicContact CE-CD1 3.72Å; M68-L71 PolarHBondContact O-N 3.45Å; M68-E72 PolarHBondContact O-N 2.77Å; M68-A81 HydrophobicContact CE-CB 3.55Å
69N97.4Very high96.2Very high86 Ų8662.6 Ų62.646%0.4631%0.312SS..Hα-helixtrans-62.2-35.5176.6-69.1-8.1000112.4I65 N66 L67 R73I65-N69 WeakPolarHBondContact O-CB 3.06Å; I65-N69 PolarHBondContact O-N 3.44Å; I65-N69 PolarHBondContact O-ND2 2.91Å; I65-N69 PolarHBondContact O-OD1 3.07Å; N66-N69 PolarHBondContact O-N 2.89Å; L67-N69 VanDerWaalsContact C-N 3.35Å; L67-N69 PolarHBondContact O-N 2.83Å; N69-R73 WeakPolarHBondContact O-CB 3.31Å; N69-R73 PolarHBondContact O-N 3.31Å
70V97.2Very high96.5Very high4 Ų459.2 Ų59.22%0.02429%0.289CS..Hα-helixtrans-66-44175.3168.60000111T48 L49 Y52 I54 N66 L67 M68 R73 E74T48-V70 HydrophobicContact CG2-CG1 4.49Å; L49-V70 HydrophobicContact CD2-CG1 4.09Å; Y52-V70 VanDerWaalsContact CB-CG2 3.49Å; Y52-V70 HydrophobicContact CD1-CG2 3.92Å; Y52-V70 HydrophobicContact CD2-CB 4.37Å; Y52-V70 HydrophobicContact CD2-CG1 3.49Å; Y52-V70 VanDerWaalsContact CD2-CG1 3.49Å; Y52-V70 HydrophobicContact CD2-CG2 4.01Å; Y52-V70 HydrophobicContact CE2-CG1 4.08Å; Y52-V70 HydrophobicContact CG-CB 4.37Å; Y52-V70 HydrophobicContact CG-CG1 3.92Å; Y52-V70 HydrophobicContact CG-CG2 3.53Å; I54-V70 HydrophobicContact CD1-CG2 4.23Å; N66-V70 VanDerWaalsContact O-CG2 3.31Å; N66-V70 WeakPolarHBondContact O-CG2 3.46Å; N66-V70 PolarHBondContact O-N 3.38Å; L67-V70 WeakPolarHBondContact O-CB 3.3Å; L67-V70 PolarHBondContact O-N 2.94Å; L67-V70 VanDerWaalsContact O-N 3.17Å; M68-V70 VanDerWaalsContact C-N 3.29Å; M68-V70 PolarHBondContact O-N 3.45Å; V70-R73 PolarHBondContact O-N 3.43Å; V70-E74 WeakPolarHBondContact O-CB 3.43Å; V70-E74 WeakPolarHBondContact O-CG 3.3Å; V70-E74 PolarHBondContact O-N 3.42Å
71L96.2Very high96.7Very high0 Ų053.9 Ų53.90%027%0.269CS..Hα-helixtrans-62.8-46.3177.4-59.1175000110.7L45 L67 M68 R73 E74 F75 V98L45-L71 HydrophobicContact CD1-CD2 3.77Å; L67-L71 HydrophobicContact CG-CD1 4.43Å; L67-L71 WeakPolarHBondContact O-CG 3.23Å; L67-L71 PolarHBondContact O-N 3.36Å; L67-L71 VanDerWaalsContact O-N 3.1Å; M68-L71 HydrophobicContact CE-CD1 3.72Å; M68-L71 PolarHBondContact O-N 3.45Å; L71-R73 PolarHBondContact O-N 2.82Å; L71-E74 PolarHBondContact O-N 2.74Å; L71-F75 HydrophobicContact CB-CD2 4.23Å; L71-F75 HydrophobicContact CB-CE2 4.47Å; L71-F75 HydrophobicContact CD2-CD2 4.34Å; L71-F75 HydrophobicContact CD2-CE2 3.74Å; L71-F75 WeakPolarHBondContact O-CB 3.24Å; L71-F75 WeakPolarHBondContact O-CD2 3.26Å; L71-F75 PolarHBondContact O-N 3.01Å; L71-V98 HydrophobicContact CD1-CG1 3.73Å; L71-V98 HydrophobicContact CD2-CG1 3.84Å; L71-V98 HydrophobicContact CG-CG1 4.46Å
72E96.9Very high96.8Very high102 Ų10250.1 Ų50.148%0.47725%0.253SS..Hα-helixtrans-61.8-42.6177.5-170.1174.1-173.200112.4M68 E74 G76 Y77M68-E72 PolarHBondContact O-N 2.77Å; E72-E74 PolarHBondContact O-N 2.83Å; E72-G76 CarbonylContact O-C 3.36Å; E72-G76 WeakPolarHBondContact O-CA 3.35Å; E72-G76 PolarHBondContact O-N 3.43Å; E72-Y77 VanDerWaalsContact CA-O 3.24Å; E72-Y77 WeakPolarHBondContact CA-O 3.39Å
73R97Very high96.8Very high182 Ų18249.6 Ų49.669%0.68725%0.251SS*.Hα-helixtrans-66.1-38.9178.7-178.4173.3177.4-169.7-4.2113.3Y52 N69 V70 L71Y52-R73 WeakPolarHBondContact OH-CD 3.21Å; Y52-R73 PolarHBondContact OH-NE 3.2Å; N69-R73 WeakPolarHBondContact O-CB 3.31Å; N69-R73 PolarHBondContact O-N 3.31Å; V70-R73 PolarHBondContact O-N 3.43Å; L71-R73 PolarHBondContact O-N 2.82Å
74E94.8Very high96.6Very high63 Ų6349.1 Ų49.129%0.29425%0.248SC..Hα-helixtrans-87.7-27.3-173.8-68.5-78.9142.500112.9T48 K51 Y52 V70 L71 E72T48-E74 HydrophobicContact CG2-CB 3.86Å; T48-E74 HydrophobicContact CG2-CG 3.47Å; T48-E74 VanDerWaalsContact CG2-CG 3.47Å; K51-E74 IonicContact NZ-OE1 2.8Å; K51-E74 PolarHBondContact NZ-OE1 2.95Å; K51-E74 IonicContact NZ-OE2 3.58Å; Y52-E74 HydrophobicContact CE2-CG 3.59Å; Y52-E74 WeakPolarHBondContact CE2-OE1 3.26Å; Y52-E74 PolarHBondContact OH-OE1 3.37Å; V70-E74 WeakPolarHBondContact O-CB 3.43Å; V70-E74 WeakPolarHBondContact O-CG 3.3Å; V70-E74 PolarHBondContact O-N 3.42Å; L71-E74 PolarHBondContact O-N 2.74Å; E72-E74 PolarHBondContact O-N 2.83Å
75F92.7Very high96.4Very high24 Ų2456.5 Ų56.511%0.10527%0.273CS..Hα-helixtrans-107.5-12.9-179.8-53.4-52.8000113.8L43 L45 L71 Y77 V100 F108L43-F75 HydrophobicContact CD2-CD1 3.88Å; L43-F75 HydrophobicContact CD2-CE1 3.27Å; L43-F75 HydrophobicContact CD2-CE2 4.47Å; L43-F75 HydrophobicContact CD2-CZ 3.62Å; L45-F75 HydrophobicContact CD1-CE2 4.26Å; L45-F75 HydrophobicContact CD1-CZ 4.21Å; L71-F75 HydrophobicContact CB-CD2 4.23Å; L71-F75 HydrophobicContact CB-CE2 4.47Å; L71-F75 HydrophobicContact CD2-CD2 4.34Å; L71-F75 HydrophobicContact CD2-CE2 3.74Å; L71-F75 WeakPolarHBondContact O-CB 3.24Å; L71-F75 WeakPolarHBondContact O-CD2 3.26Å; L71-F75 PolarHBondContact O-N 3.01Å; F75-Y77 VanDerWaalsContact O-CD2 3.26Å; F75-Y77 WeakPolarHBondContact O-CD2 3.21Å; F75-Y77 PolarHBondContact O-N 3.44Å; F75-V100 HydrophobicContact CB-CG1 4.49Å; F75-V100 HydrophobicContact CD2-CG1 3.87Å; F75-V100 HydrophobicContact CD2-CG2 4.43Å; F75-V100 HydrophobicContact CE2-CG1 4.28Å; F75-V100 HydrophobicContact CE2-CG2 4.06Å; F75-V100 HydrophobicContact CG-CG1 4.07Å; F75-F108 HydrophobicContact CB-CD2 4.46Å; F75-F108 HydrophobicContact CB-CG 4.4Å; F75-F108 HydrophobicContact CD1-CE1 4.46Å; F75-F108 HydrophobicContact CD1-CE2 4.19Å; F75-F108 HydrophobicContact CD1-CZ 4.11Å
76G96.2Very high95.6Very high54 Ų5452.6 Ų52.656%0.55725%0.252SS*.SBendtrans78.42.3-176.100000114.2E72E72-G76 CarbonylContact O-C 3.36Å; E72-G76 WeakPolarHBondContact O-CA 3.35Å; E72-G76 PolarHBondContact O-N 3.43Å
77Y97.2Very high94.7Very high98 Ų9854.7 Ų54.738%0.38427%0.269SS..SBendtrans-143.8154.8-176.4-60.9-84000110.2E72 F75 F108E72-Y77 VanDerWaalsContact CA-O 3.24Å; E72-Y77 WeakPolarHBondContact CA-O 3.39Å; F75-Y77 VanDerWaalsContact O-CD2 3.26Å; F75-Y77 WeakPolarHBondContact O-CD2 3.21Å; F75-Y77 PolarHBondContact O-N 3.44Å; Y77-F108 HydrophobicContact CD2-CB 3.43Å; Y77-F108 VanDerWaalsContact CD2-CB 3.43Å; Y77-F108 HydrophobicContact CE2-CB 3.78Å; Y77-F108 WeakPolarHBondContact CE2-O 3.33Å; Y77-F108 HydrophobicContact CG-CB 4.41Å; Y77-F108 VanDerWaalsContact CZ-O 3.29Å
78N96.8Very high93.8Very high44 Ų4458.9 Ų58.924%0.23531%0.312CS..  trans-59.5153.8177.178.9-5.8000111.5N110 C111N78-N110 PolarHBondContact N-OD1 3.24Å; N78-N110 VanDerWaalsContact OD1-C 3.26Å; N78-N110 WeakPolarHBondContact OD1-CA 3.39Å; N78-N110 WeakPolarHBondContact OD1-CB 3.4Å; N78-N110 PolarHBondContact OD1-OD1 3.41Å; N78-C111 PolarHBondContact ND2-O 3.3Å; N78-C111 PolarHBondContact OD1-N 2.97Å
79G96.2Very high92.8Very high0 Ų063.5 Ų63.50%033%0.327CS..  trans-114.1-175.4167.900000111
80S97.2Very high91.9Very high3 Ų371.4 Ų71.42%0.02135%0.351CS..EExtended strand (participates in β ladder)trans-135.7153.8174.3176.70000110V98 H99 F113 G115S80-V98 CarbonylContact O-C 3.59Å; S80-V98 WeakPolarHBondContact O-CA 3.3Å; S80-H99 PolarHBondContact N-O 2.81Å; S80-H99 PolarHBondContact O-N 3.3Å; S80-F113 VanDerWaalsContact CB-O 3.3Å; S80-F113 WeakPolarHBondContact CB-O 3.49Å; S80-F113 PolarHBondContact OG-O 3.35Å; S80-F113 VanDerWaalsContact OG-O 3.08Å; S80-G115 WeakPolarHBondContact OG-CA 3.2Å; S80-G115 PolarHBondContact OG-N 2.91Å
81A97.7Very high91Very high4 Ų474.1 Ų74.13%0.03338%0.38CS..EExtended strand (participates in β ladder)trans-144.5130.4-179.600000111.5L67 M68 L95 E97 G115 N116 C117L67-A81 HydrophobicContact CD2-CB 3.67Å; M68-A81 HydrophobicContact CE-CB 3.55Å; A81-L95 HydrophobicContact CB-CD1 3.88Å; A81-E97 CarbonylContact C-O 3.56Å; A81-E97 VanDerWaalsContact CA-O 3.3Å; A81-E97 WeakPolarHBondContact CA-O 3.34Å; A81-G115 CarbonylContact O-C 3.49Å; A81-G115 VanDerWaalsContact O-C 3.31Å; A81-G115 WeakPolarHBondContact O-CA 3.4Å; A81-N116 PolarHBondContact O-N 3.43Å; A81-C117 PolarHBondContact O-N 3.29Å; A81-C117 PolarHBondContact O-SG 3.38Å; A81-C117 VanDerWaalsContact O-SG 3.35Å
82N97.3Very high90.6Very high35 Ų3576.1 Ų76.119%0.18739%0.39CS..EExtended strand (participates in β ladder)trans-105.4139174.5-71.7-34.9000110.7E96 E97 G115 N116N82-E96 PolarHBondContact O-N 3.49Å; N82-E97 HydrophobicContact CB-CB 4.21Å; N82-E97 PolarHBondContact N-O 3.24Å; N82-E97 PolarHBondContact ND2-OE2 3.45Å; N82-E97 VanDerWaalsContact ND2-OE2 3.14Å; N82-E97 PolarHBondContact O-N 3.36Å; N82-E97 VanDerWaalsContact O-N 3.15Å; N82-G115 WeakPolarHBondContact OD1-CA 3.47Å; N82-N116 WeakPolarHBondContact CA-OD1 3.45Å; N82-N116 PolarHBondContact OD1-N 3.22Å
83C96.9Very high90.6Very high4 Ų474.9 Ų74.93%0.02738%0.381CS..EExtended strand (participates in β ladder)trans-125.5142.1177.7-69.10000110.9Y93 H94 N116 C117 F121C83-Y93 HydrophobicContact CB-CD1 4.44Å; C83-H94 CarbonylContact C-O 3.44Å; C83-H94 WeakPolarHBondContact CA-O 3.42Å; C83-H94 VanDerWaalsContact CB-O 3.31Å; C83-H94 WeakPolarHBondContact CB-O 3.42Å; C83-N116 PolarHBondContact N-OD1 3.36Å; C83-N116 PolarHBondContact O-OD1 2.83Å; C83-C117 HydrophobicContact CB-CB 3.96Å; C83-C117 WeakPolarHBondContact CB-SG 3.37Å; C83-C117 PolarHBondContact N-SG 2.82Å; C83-C117 WeakPolarHBondContact SG-CB 3.29Å; C83-C117 CovalentContact SG-SG 2.04Å; C83-C117 PolarHBondContact SG-SG 3.18Å; C83-F121 VanDerWaalsContact SG-CB 3.55Å
84I94.6Very high90.4Very high69 Ų6967.7 Ų67.735%0.35436%0.355SS..EExtended strand (participates in β ladder)trans-106146.4174.257.7175000111K86 Y93 H94 E96I84-K86 PolarHBondContact O-N 2.04Å; I84-Y93 CarbonylContact O-C 3.38Å; I84-Y93 WeakPolarHBondContact O-CA 3.15Å; I84-H94 HydrophobicContact CG1-CB 4.12Å; I84-H94 PolarHBondContact N-O 2.82Å; I84-H94 PolarHBondContact O-N 2.92Å; I84-E96 HydrophobicContact CD1-CG 4.48Å; I84-E96 HydrophobicContact CG1-CB 4.24Å; I84-E96 HydrophobicContact CG2-CB 4.07Å; I84-E96 HydrophobicContact CG2-CG 4.22Å; I84-E96 WeakPolarHBondContact CG2-OE1 3.26Å; I84-E96 WeakPolarHBondContact CG2-OE2 3.47Å
85R92.3Very high90.5Very high177 Ų17765.5 Ų65.567%0.66835%0.346SS*.EExtended strand (participates in β ladder)trans-69.1130.3175.5-169.3173.167.8-169.31.4109.8P87 Y93R85-P87 WeakPolarHBondContact O-CD 3.2Å; R85-Y93 HydrophobicContact CB-CD1 4.25Å; R85-Y93 HydrophobicContact CB-CE1 4.01Å; R85-Y93 HydrophobicContact CG-CE1 4.46Å
86K81.2Confident90.6Very high44 Ų4469.8 Ų69.819%0.19137%0.366CS..PPolyproline II helixtrans-66122.9175.1-170.1-179.8-164.8136.10109.7I84 G88 R89 M92 H94I84-K86 PolarHBondContact O-N 2.04Å; K86-G88 PolarHBondContact O-N 3.19Å; K86-R89 HydrophobicContact CD-CB 4.19Å; K86-R89 HydrophobicContact CD-CG 4.19Å; K86-R89 PolarHBondContact O-N 3.13Å; K86-M92 HydrophobicContact CB-CB 4.09Å; K86-M92 WeakPolarHBondContact CB-O 3.41Å; K86-M92 HydrophobicContact CD-CB 4.48Å; K86-M92 HydrophobicContact CD-CE 3.94Å; K86-M92 PolarHBondContact N-O 2.93Å; K86-H94 WeakPolarHBondContact CD-NE2 3.22Å; K86-H94 WeakPolarHBondContact CE-NE2 3.45Å; K86-H94 WeakPolarHBondContact CG-NE2 3.09Å; K86-H94 PolarHBondContact NZ-NE2 2.92Å; K86-H94 VanDerWaalsContact NZ-NE2 3.13Å
87P78.6Confident90.6Very high116 Ų11671.2 Ų71.275%0.75336%0.358SS*.THydrogen-bonded Turntrans-56.4136.4173.1-2434.1000110.9R85 R89R85-P87 WeakPolarHBondContact O-CD 3.2Å; P87-R89 VanDerWaalsContact C-N 3.27Å; P87-R89 PolarHBondContact O-N 3.1Å
88G77.9Confident90.6Very high87 Ų8768.1 Ų68.190%0.89735%0.349SS*.THydrogen-bonded Turntrans76-3.2175.400000116.7K86K86-G88 PolarHBondContact O-N 3.19Å
89R77.4Confident90.5Very high137 Ų13769.7 Ų69.752%0.51736%0.355SS..SBendtrans-128101.1174.3-62.8-160.8-175.3179.40.3111.5K86 P87 G91 M92K86-R89 HydrophobicContact CD-CB 4.19Å; K86-R89 HydrophobicContact CD-CG 4.19Å; K86-R89 PolarHBondContact O-N 3.13Å; P87-R89 VanDerWaalsContact C-N 3.27Å; P87-R89 PolarHBondContact O-N 3.1Å; R89-G91 PolarHBondContact O-N 3.37Å; R89-M92 HydrophobicContact CB-CB 4.09Å; R89-M92 HydrophobicContact CB-CG 4.32Å; R89-M92 HydrophobicContact CB-SD 3.69Å; R89-M92 WeakPolarHBondContact CD-SD 3.31Å; R89-M92 HydrophobicContact CG-SD 4.13Å; R89-M92 PolarHBondContact O-N 3.17Å
90R76.6Confident90.5Very high252 Ų25271.5 Ų71.595%0.95137%0.366SS*.THydrogen-bonded Turntrans-55.6136177.3-87.1-172.2-134.1174.73.9110.7M92R90-M92 PolarHBondContact O-N 3.04Å
91G79.7Confident90.5Very high62 Ų6272.8 Ų72.864%0.63937%0.374SS*.THydrogen-bonded Turntrans75.9-3.3175.700000115.6R89R89-G91 PolarHBondContact O-N 3.37Å
92M88Confident90.4Very high41 Ų4174.8 Ų74.820%0.20238%0.384CS..  trans-95.4131.9174.6-77.1172.27000110.8K86 R89 R90 I122K86-M92 HydrophobicContact CB-CB 4.09Å; K86-M92 WeakPolarHBondContact CB-O 3.41Å; K86-M92 HydrophobicContact CD-CB 4.48Å; K86-M92 HydrophobicContact CD-CE 3.94Å; K86-M92 PolarHBondContact N-O 2.93Å; R89-M92 HydrophobicContact CB-CB 4.09Å; R89-M92 HydrophobicContact CB-CG 4.32Å; R89-M92 HydrophobicContact CB-SD 3.69Å; R89-M92 WeakPolarHBondContact CD-SD 3.31Å; R89-M92 HydrophobicContact CG-SD 4.13Å; R89-M92 PolarHBondContact O-N 3.17Å; R90-M92 PolarHBondContact O-N 3.04Å; M92-I122 HydrophobicContact CE-CD1 3.09Å; M92-I122 HydrophobicContact CG-CD1 4.27Å; M92-I122 HydrophobicContact SD-CD1 4.43Å
93Y95.3Very high90.4Very high76 Ų7675.4 Ų75.430%0.29839%0.388SS..EExtended strand (participates in β ladder)trans-124.2138.9179.7-70.2-104.8000109.7C83 I84 R85 P118 I122C83-Y93 HydrophobicContact CB-CD1 4.44Å; I84-Y93 CarbonylContact O-C 3.38Å; I84-Y93 WeakPolarHBondContact O-CA 3.15Å; R85-Y93 HydrophobicContact CB-CD1 4.25Å; R85-Y93 HydrophobicContact CB-CE1 4.01Å; R85-Y93 HydrophobicContact CG-CE1 4.46Å; Y93-P118 HydrophobicContact CD1-CG 4.28Å; Y93-P118 HydrophobicContact CD2-CB 4.5Å; Y93-P118 HydrophobicContact CD2-CG 3.67Å; Y93-P118 HydrophobicContact CE2-CG 4.29Å; Y93-P118 HydrophobicContact CG-CG 3.67Å; Y93-I122 PolarHBondContact O-N 3.37Å
94H94.4Very high90.2Very high31 Ų3185.9 Ų85.914%0.14443%0.427CS..EExtended strand (participates in β ladder)trans-99.9137.2173.3-67.4179.3000109.5C83 I84 K86 E96 I122 P124C83-H94 CarbonylContact C-O 3.44Å; C83-H94 WeakPolarHBondContact CA-O 3.42Å; C83-H94 VanDerWaalsContact CB-O 3.31Å; C83-H94 WeakPolarHBondContact CB-O 3.42Å; I84-H94 HydrophobicContact CG1-CB 4.12Å; I84-H94 PolarHBondContact N-O 2.82Å; I84-H94 PolarHBondContact O-N 2.92Å; K86-H94 WeakPolarHBondContact CD-NE2 3.22Å; K86-H94 WeakPolarHBondContact CE-NE2 3.45Å; K86-H94 WeakPolarHBondContact CG-NE2 3.09Å; K86-H94 PolarHBondContact NZ-NE2 2.92Å; K86-H94 VanDerWaalsContact NZ-NE2 3.13Å; H94-E96 PolarHBondContact O-N 3.43Å; H94-I122 CarbonylContact C-O 3.05Å; H94-I122 VanDerWaalsContact CA-O 3.23Å; H94-I122 WeakPolarHBondContact CA-O 3.39Å; H94-P124 HydrophobicContact CB-CG 4.25Å
95L96.2Very high90.3Very high18 Ų1890.1 Ų90.19%0.09444%0.443CS..EExtended strand (participates in β ladder)trans-62.8123.9165.6-175.765.7000108.9L67 A81 V98 F121 I122 F123L67-L95 HydrophobicContact CD2-CD1 4.01Å; L67-L95 HydrophobicContact CD2-CD2 4.24Å; 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 4.48Å; L95-F121 HydrophobicContact CD2-CD2 4.46Å; L95-F121 HydrophobicContact CD2-CE2 3.83Å; L95-F121 HydrophobicContact CD2-CZ 4.42Å; L95-F121 HydrophobicContact CG-CD2 4.45Å; L95-F121 HydrophobicContact CG-CE2 4.29Å; L95-I122 PolarHBondContact N-O 3.41Å; L95-F123 HydrophobicContact CD2-CD2 4.37Å; L95-F123 HydrophobicContact CD2-CG 4.43Å
96E94.7Very high90.4Very high113 Ų11383.9 Ų83.953%0.52842%0.421SS..EExtended strand (participates in β ladder)trans-107.3-50179.8-174.2179.8-127.200110.5N82 I84 H94N82-E96 PolarHBondContact O-N 3.49Å; I84-E96 HydrophobicContact CD1-CG 4.48Å; I84-E96 HydrophobicContact CG1-CB 4.24Å; I84-E96 HydrophobicContact CG2-CB 4.07Å; I84-E96 HydrophobicContact CG2-CG 4.22Å; I84-E96 WeakPolarHBondContact CG2-OE1 3.26Å; I84-E96 WeakPolarHBondContact CG2-OE2 3.47Å; H94-E96 PolarHBondContact O-N 3.43Å
97E96.1Very high91.1Very high85 Ų8586.8 Ų86.840%0.39744%0.435SS..EExtended strand (participates in β ladder)trans-133.1147.4-176.2-49.3-177.4141.300111.2A81 N82 H99A81-E97 CarbonylContact C-O 3.56Å; A81-E97 VanDerWaalsContact CA-O 3.3Å; A81-E97 WeakPolarHBondContact CA-O 3.34Å; N82-E97 HydrophobicContact CB-CB 4.21Å; N82-E97 PolarHBondContact N-O 3.24Å; N82-E97 PolarHBondContact ND2-OE2 3.45Å; N82-E97 VanDerWaalsContact ND2-OE2 3.14Å; N82-E97 PolarHBondContact O-N 3.36Å; N82-E97 VanDerWaalsContact O-N 3.15Å; E97-H99 IonicContact OE2-CD2 3.97Å; E97-H99 IonicContact OE2-CE1 3Å; E97-H99 PolarHBondContact OE2-CE1 3.07Å; E97-H99 IonicContact OE2-NE2 3.04Å; E97-H99 PolarHBondContact OE2-NE2 3.32Å
98V96.9Very high91.9Very high32 Ų3283.2 Ų83.219%0.19441%0.408CS..EExtended strand (participates in β ladder)trans-125.3129.7165.7178.10000107.3L45 L67 L71 S80 L95L45-V98 HydrophobicContact CD2-CB 3.68Å; L45-V98 HydrophobicContact CD2-CG1 3.69Å; L45-V98 HydrophobicContact CD2-CG2 4.28Å; L67-V98 HydrophobicContact CD2-CG2 4.46Å; L71-V98 HydrophobicContact CD1-CG1 3.73Å; L71-V98 HydrophobicContact CD2-CG1 3.84Å; L71-V98 HydrophobicContact CG-CG1 4.46Å; S80-V98 CarbonylContact O-C 3.59Å; S80-V98 WeakPolarHBondContact O-CA 3.3Å; L95-V98 HydrophobicContact CD1-CG2 4.07Å; L95-V98 HydrophobicContact CD2-CG2 3.92Å; L95-V98 HydrophobicContact CG-CG2 4.29Å
99H96.4Very high92.9Very high77 Ų7782.6 Ų82.636%0.35638%0.382SS..EExtended strand (participates in β ladder)trans-112.3140.6-178.7-56.7174000110.2S80 E97S80-H99 PolarHBondContact N-O 2.81Å; S80-H99 PolarHBondContact O-N 3.3Å; E97-H99 IonicContact OE2-CD2 3.97Å; E97-H99 IonicContact OE2-CE1 3Å; E97-H99 PolarHBondContact OE2-CE1 3.07Å; E97-H99 IonicContact OE2-NE2 3.04Å; E97-H99 PolarHBondContact OE2-NE2 3.32Å
100V95.3Very high93.9Very high38 Ų3880.1 Ų80.123%0.2338%0.38CS..  trans-126.3133.6171.4-158.20000106.5L43 F75 F108L43-V100 HydrophobicContact CD1-CG2 4.18Å; L43-V100 HydrophobicContact CD2-CG1 4.41Å; L43-V100 HydrophobicContact CD2-CG2 4.3Å; F75-V100 HydrophobicContact CB-CG1 4.49Å; F75-V100 HydrophobicContact CD2-CG1 3.87Å; F75-V100 HydrophobicContact CD2-CG2 4.43Å; F75-V100 HydrophobicContact CE2-CG1 4.28Å; F75-V100 HydrophobicContact CE2-CG2 4.06Å; F75-V100 HydrophobicContact CG-CG1 4.07Å; V100-F108 HydrophobicContact CG1-CD1 3.75Å; V100-F108 HydrophobicContact CG1-CE1 3.86Å
101C97Very high94.9Very high30 Ų3068.4 Ų68.420%0.20334%0.336CS..EExtended strand (participates in β ladder)trans-105.3143.7-171.5-62.60000111.8F108 M109 C111C101-F108 WeakPolarHBondContact O-CA 3.18Å; C101-M109 HydrophobicContact CB-CG 4.09Å; C101-M109 PolarHBondContact O-N 3.49Å; C101-C111 HydrophobicContact CB-CB 4Å; C101-C111 WeakPolarHBondContact CB-SG 3.48Å; C101-C111 PolarHBondContact N-SG 3.15Å; C101-C111 VanDerWaalsContact N-SG 3.38Å; C101-C111 WeakPolarHBondContact SG-CA 3.43Å; C101-C111 WeakPolarHBondContact SG-CB 3.42Å; C101-C111 CovalentContact SG-SG 2.05Å; C101-C111 PolarHBondContact SG-SG 3.21Å
102L96.4Very high95.7Very high46 Ų4670.1 Ų70.124%0.24134%0.336CS..EExtended strand (participates in β ladder)trans-122.2144.4179.2-60.5-179.8000110.2F35 L39 E107 F108 M109F35-L102 HydrophobicContact CE1-CD1 4.01Å; F35-L102 HydrophobicContact CZ-CD1 3.79Å; L39-L102 HydrophobicContact CD1-CD1 4.05Å; L39-L102 HydrophobicContact CD2-CD1 3.6Å; L39-L102 HydrophobicContact CG-CD1 4.48Å; L102-E107 CarbonylContact C-O 3.58Å; L102-E107 VanDerWaalsContact CA-O 3.27Å; L102-E107 WeakPolarHBondContact CA-O 3.08Å; 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
103N96Very high95.9Very high49 Ų4976.2 Ų76.226%0.26236%0.362SS..  trans-79.8176.5167.672.413.7000110.7K105 H106 E107 M109N103-K105 PolarHBondContact O-N 3.19Å; N103-K105 VanDerWaalsContact O-N 3.07Å; N103-K105 VanDerWaalsContact OD1-CA 3.28Å; N103-K105 WeakPolarHBondContact OD1-CA 3.39Å; N103-K105 WeakPolarHBondContact OD1-CB 3.13Å; N103-K105 PolarHBondContact OD1-N 3.42Å; N103-H106 PolarHBondContact O-N 3.03Å; N103-H106 PolarHBondContact OD1-N 3.03Å; N103-E107 PolarHBondContact N-O 2.97Å; N103-E107 PolarHBondContact ND2-OE2 2.99Å; N103-E107 PolarHBondContact OD1-N 2.8Å; N103-E107 PolarHBondContact OD1-O 3.27Å; N103-M109 VanDerWaalsContact CA-SD 3.54Å; N103-M109 HydrophobicContact CB-CB 4.47Å; N103-M109 HydrophobicContact CB-CG 4.39Å; N103-M109 HydrophobicContact CB-SD 3.71Å; N103-M109 PolarHBondContact N-SD 3.08Å
104R93.6Very high95.8Very high223 Ų22378.5 Ų78.584%0.84238%0.378SS*.THydrogen-bonded Turntrans-66.1-5.6177-66.9-171.6178.1-169-3.2114.7
105K95.4Very high95.7Very high159 Ų15978.3 Ų78.369%0.69139%0.385SS*.THydrogen-bonded Turntrans-996.7172.2-59.9-178.8178.3179.80112N103 E107N103-K105 PolarHBondContact O-N 3.19Å; N103-K105 VanDerWaalsContact O-N 3.07Å; N103-K105 VanDerWaalsContact OD1-CA 3.28Å; N103-K105 WeakPolarHBondContact OD1-CA 3.39Å; N103-K105 WeakPolarHBondContact OD1-CB 3.13Å; N103-K105 PolarHBondContact OD1-N 3.42Å; K105-E107 HydrophobicContact CB-CG 4.17Å; K105-E107 PolarHBondContact O-N 3.25Å
106H95.1Very high95.7Very high45 Ų4582.5 Ų82.521%0.20841%0.408CS..SBendtrans62.124.2-175.4-51130.8000114.5D23 Q25 F35 N103D23-H106 VanDerWaalsContact CG-CE1 3.44Å; D23-H106 IonicContact OD1-CE1 3.4Å; D23-H106 PolarHBondContact OD1-CE1 2.89Å; D23-H106 VanDerWaalsContact OD1-CE1 3.26Å; D23-H106 IonicContact OD1-NE2 2.79Å; D23-H106 IonicContact OD2-CE1 3.45Å; D23-H106 PolarHBondContact OD2-CE1 3.27Å; D23-H106 IonicContact OD2-NE2 3.26Å; D23-H106 PolarHBondContact OD2-NE2 2.53Å; Q25-H106 PolarHBondContact NE2-ND1 2.97Å; F35-H106 HydrophobicContact CE2-CB 3.96Å; F35-H106 AromaticContact CE2-CD2 3.54Å; F35-H106 AromaticContact CE2-CE1 3.92Å; F35-H106 AromaticContact CE2-CG 3.49Å; F35-H106 VanDerWaalsContact CE2-CG 3.49Å; F35-H106 AromaticContact CE2-ND1 3.74Å; F35-H106 AromaticContact CE2-NE2 3.78Å; F35-H106 HydrophobicContact CZ-CB 3.96Å; F35-H106 AromaticContact CZ-CD2 3.29Å; F35-H106 WeakPolarHBondContact CZ-CD2 3.32Å; F35-H106 AromaticContact CZ-CG 3.61Å; F35-H106 AromaticContact CZ-NE2 3.82Å; N103-H106 PolarHBondContact O-N 3.03Å; N103-H106 PolarHBondContact OD1-N 3.03Å
107E95.8Very high95.8Very high105 Ų10578 Ų7849%0.49139%0.389SS..  trans-92.9147.6172.2-56.2163.2147.300109.1L102 N103 K105L102-E107 CarbonylContact C-O 3.58Å; L102-E107 VanDerWaalsContact CA-O 3.27Å; L102-E107 WeakPolarHBondContact CA-O 3.08Å; N103-E107 PolarHBondContact N-O 2.97Å; N103-E107 PolarHBondContact ND2-OE2 2.99Å; N103-E107 PolarHBondContact OD1-N 2.8Å; N103-E107 PolarHBondContact OD1-O 3.27Å; K105-E107 HydrophobicContact CB-CG 4.17Å; K105-E107 PolarHBondContact O-N 3.25Å
108F96.5Very high95.8Very high42 Ų4276 Ų7618%0.18438%0.383CS..EExtended strand (participates in β ladder)trans-59.4143.7174.8-64.4-59.3000110.9L39 L43 F75 Y77 V100 C101 L102L39-F108 HydrophobicContact CD1-CE1 4.46Å; L43-F108 HydrophobicContact CD2-CE1 3.62Å; L43-F108 HydrophobicContact CD2-CZ 3.51Å; F75-F108 HydrophobicContact CB-CD2 4.46Å; F75-F108 HydrophobicContact CB-CG 4.4Å; F75-F108 HydrophobicContact CD1-CE1 4.46Å; F75-F108 HydrophobicContact CD1-CE2 4.19Å; F75-F108 HydrophobicContact CD1-CZ 4.11Å; Y77-F108 HydrophobicContact CD2-CB 3.43Å; Y77-F108 VanDerWaalsContact CD2-CB 3.43Å; Y77-F108 HydrophobicContact CE2-CB 3.78Å; Y77-F108 WeakPolarHBondContact CE2-O 3.33Å; Y77-F108 HydrophobicContact CG-CB 4.41Å; Y77-F108 VanDerWaalsContact CZ-O 3.29Å; V100-F108 HydrophobicContact CG1-CD1 3.75Å; V100-F108 HydrophobicContact CG1-CE1 3.86Å; C101-F108 WeakPolarHBondContact O-CA 3.18Å; 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 high95.8Very high73 Ų7383.3 Ų83.336%0.3641%0.412SS..EExtended strand (participates in β ladder)trans-146.1165.2175.367.2175-72.600110.2C101 L102 N103 C111C101-M109 HydrophobicContact CB-CG 4.09Å; C101-M109 PolarHBondContact O-N 3.49Å; L102-M109 VanDerWaalsContact C-SD 3.55Å; N103-M109 VanDerWaalsContact CA-SD 3.54Å; N103-M109 HydrophobicContact CB-CB 4.47Å; N103-M109 HydrophobicContact CB-CG 4.39Å; N103-M109 HydrophobicContact CB-SD 3.71Å; N103-M109 PolarHBondContact N-SD 3.08Å; M109-C111 PolarHBondContact O-N 2.58Å
110N98Very high95.8Very high85 Ų8584.7 Ų84.746%0.45542%0.417SS..  trans-61.5131.6172.7-71.2-42.2000110.8N78N78-N110 PolarHBondContact N-OD1 3.24Å; N78-N110 VanDerWaalsContact OD1-C 3.26Å; N78-N110 WeakPolarHBondContact OD1-CA 3.39Å; N78-N110 WeakPolarHBondContact OD1-CB 3.4Å; N78-N110 PolarHBondContact OD1-OD1 3.41Å
111C97.7Very high95.8Very high6 Ų682.9 Ų82.94%0.04141%0.406CS..  trans-65.8126.8166.9-73.20000110.9N78 C101 M109 F113N78-C111 PolarHBondContact ND2-O 3.3Å; N78-C111 PolarHBondContact OD1-N 2.97Å; C101-C111 HydrophobicContact CB-CB 4Å; C101-C111 WeakPolarHBondContact CB-SG 3.48Å; C101-C111 PolarHBondContact N-SG 3.15Å; C101-C111 VanDerWaalsContact N-SG 3.38Å; C101-C111 WeakPolarHBondContact SG-CA 3.43Å; C101-C111 WeakPolarHBondContact SG-CB 3.42Å; C101-C111 CovalentContact SG-SG 2.05Å; C101-C111 PolarHBondContact SG-SG 3.21Å; M109-C111 PolarHBondContact O-N 2.58Å; C111-F113 VanDerWaalsContact C-N 3.34Å
112P96.4Very high95.7Very high99 Ų9981.6 Ų81.664%0.64340%0.397SS*.SBendtrans-73.7-25.8-179.527.5-33000113
113F94.1Very high95.7Very high169 Ų16981.2 Ų81.274%0.74139%0.394SS*.SBendtrans-116.6122.7-178.5-55.8-70.2000110.5S80 C111S80-F113 VanDerWaalsContact CB-O 3.3Å; S80-F113 WeakPolarHBondContact CB-O 3.49Å; S80-F113 PolarHBondContact OG-O 3.35Å; S80-F113 VanDerWaalsContact OG-O 3.08Å; C111-F113 VanDerWaalsContact C-N 3.34Å
114L91.5Very high95.6Very high123 Ų12380.6 Ų80.664%0.64439%0.392SS*.  trans-88.1138.8173.5-56.8-178.4000109.3
115G93.5Very high95.6Very high28 Ų2872 Ų7229%0.28937%0.365SS..  trans-76.3-175.7-176.800000113S80 A81 N82S80-G115 WeakPolarHBondContact OG-CA 3.2Å; S80-G115 PolarHBondContact OG-N 2.91Å; A81-G115 CarbonylContact O-C 3.49Å; A81-G115 VanDerWaalsContact O-C 3.31Å; A81-G115 WeakPolarHBondContact O-CA 3.4Å; N82-G115 WeakPolarHBondContact OD1-CA 3.47Å
116N95.8Very high95.3Very high106 Ų10674.4 Ų74.457%0.56738%0.376SS*.  trans-100.611.5-165.367.52000114.8A81 N82 C83A81-N116 PolarHBondContact O-N 3.43Å; N82-N116 WeakPolarHBondContact CA-OD1 3.45Å; N82-N116 PolarHBondContact OD1-N 3.22Å; C83-N116 PolarHBondContact N-OD1 3.36Å; C83-N116 PolarHBondContact O-OD1 2.83Å
117C96.6Very high94.4Very high19 Ų1983.3 Ų83.313%0.12842%0.418CS..  trans-59.8130.8-179.2-74.70000111.8T64 A81 C83T64-C117 HydrophobicContact CG2-CB 3.96Å; A81-C117 PolarHBondContact O-N 3.29Å; A81-C117 PolarHBondContact O-SG 3.38Å; A81-C117 VanDerWaalsContact O-SG 3.35Å; C83-C117 HydrophobicContact CB-CB 3.96Å; C83-C117 WeakPolarHBondContact CB-SG 3.37Å; C83-C117 PolarHBondContact N-SG 2.82Å; C83-C117 WeakPolarHBondContact SG-CB 3.29Å; C83-C117 CovalentContact SG-SG 2.04Å; C83-C117 PolarHBondContact SG-SG 3.18Å
118P95.8Very high94.3Very high42 Ų4282.2 Ų82.227%0.27341%0.414SS..  trans-67-179.8173.432.2-39000110.9T64 Y93 K120T64-P118 WeakPolarHBondContact CB-O 3.08Å; T64-P118 PolarHBondContact OG1-O 2.99Å; Y93-P118 HydrophobicContact CD1-CG 4.28Å; Y93-P118 HydrophobicContact CD2-CB 4.5Å; Y93-P118 HydrophobicContact CD2-CG 3.67Å; Y93-P118 HydrophobicContact CE2-CG 4.29Å; Y93-P118 HydrophobicContact CG-CG 3.67Å; P118-K120 VanDerWaalsContact CG-O 3.3Å; P118-K120 WeakPolarHBondContact CG-O 3.3Å; P118-K120 PolarHBondContact O-N 3.45Å; P118-K120 VanDerWaalsContact O-N 3.08Å
119K96.5Very high94.2Very high186 Ų18684.3 Ų84.381%0.80943%0.426SS*.SBendtrans-51.8-37.7178.8-70.2-174178.9-177.50113.3D63 T64D63-K119 WeakPolarHBondContact CA-O 3.22Å; T64-K119 PolarHBondContact N-O 3.34Å
120K96.3Very high94Very high105 Ų10584.9 Ų84.946%0.45743%0.43SS..EExtended strand (participates in β ladder)trans-131136.8179.8-68.4-172.1175.9-172.90112.3Q61 Y62 D63 P118Q61-K120 HydrophobicContact CB-CB 4.34Å; Q61-K120 HydrophobicContact CB-CD 4.31Å; Y62-K120 CarbonylContact O-C 3.55Å; Y62-K120 VanDerWaalsContact O-CA 3.22Å; Y62-K120 WeakPolarHBondContact O-CA 3.43Å; D63-K120 WeakPolarHBondContact OD1-CE 3.47Å; D63-K120 WeakPolarHBondContact OD1-CG 3.43Å; P118-K120 VanDerWaalsContact CG-O 3.3Å; P118-K120 WeakPolarHBondContact CG-O 3.3Å; P118-K120 PolarHBondContact O-N 3.45Å; P118-K120 VanDerWaalsContact O-N 3.08Å
121F96.3Very high93.8Very high1 Ų184.9 Ų84.90%0.00443%0.428CS..EExtended strand (participates in β ladder)trans-132.8167.217867.4-88.5000110.9Q61 Y62 T64 L67 C83 L95 F123Q61-F121 CarbonylContact C-O 3.31Å; Q61-F121 VanDerWaalsContact CA-O 3.3Å; Q61-F121 WeakPolarHBondContact CA-O 3.38Å; Y62-F121 HydrophobicContact CD2-CE2 4.23Å; Y62-F121 HydrophobicContact CG-CE2 4.39Å; Y62-F121 HydrophobicContact CG-CZ 4.38Å; Y62-F121 PolarHBondContact N-O 2.94Å; Y62-F121 WeakPolarHBondContact O-CD1 3.3Å; Y62-F121 PolarHBondContact O-N 3.44Å; T64-F121 WeakPolarHBondContact OG1-CD1 3.38Å; L67-F121 HydrophobicContact CB-CE1 4.06Å; L67-F121 HydrophobicContact CB-CZ 4.05Å; L67-F121 HydrophobicContact CD2-CE1 4.02Å; L67-F121 HydrophobicContact CD2-CZ 3.76Å; L67-F121 HydrophobicContact CG-CZ 4.41Å; C83-F121 VanDerWaalsContact SG-CB 3.55Å; L95-F121 HydrophobicContact CB-CD2 3.63Å; L95-F121 HydrophobicContact CB-CE2 3.86Å; L95-F121 HydrophobicContact CD1-CE2 4.48Å; L95-F121 HydrophobicContact CD2-CD2 4.46Å; L95-F121 HydrophobicContact CD2-CE2 3.83Å; L95-F121 HydrophobicContact CD2-CZ 4.42Å; L95-F121 HydrophobicContact CG-CD2 4.45Å; L95-F121 HydrophobicContact CG-CE2 4.29Å; F121-F123 HydrophobicContact CE2-CB 4.27Å
122I95.6Very high93.5Very high2 Ų289.9 Ų89.91%0.0145%0.453CS..EExtended strand (participates in β ladder)trans-110140.2171.7-66.1164.9000108.1H57 Q61 M92 Y93 H94 L95 P124H57-I122 WeakPolarHBondContact O-CG2 3.42Å; Q61-I122 HydrophobicContact CG-CG1 4.05Å; M92-I122 HydrophobicContact CE-CD1 3.09Å; M92-I122 HydrophobicContact CG-CD1 4.27Å; M92-I122 HydrophobicContact SD-CD1 4.43Å; Y93-I122 PolarHBondContact O-N 3.37Å; H94-I122 CarbonylContact C-O 3.05Å; H94-I122 VanDerWaalsContact CA-O 3.23Å; H94-I122 WeakPolarHBondContact CA-O 3.39Å; L95-I122 PolarHBondContact N-O 3.41Å; I122-P124 WeakPolarHBondContact O-CD 3.3Å
123F96.2Very high93.3Very high39 Ų3989.3 Ų89.317%0.17144%0.44CS..  trans-107.792.5170.8179.2-156.6000107.7L46 I54 P56 H57 Y62 L95 F121L46-F123 HydrophobicContact CD1-CE1 4.01Å; L46-F123 HydrophobicContact CD1-CZ 4.04Å; I54-F123 HydrophobicContact CG2-CD1 4.33Å; P56-F123 CarbonylContact C-O 3.58Å; P56-F123 VanDerWaalsContact CA-O 3.22Å; P56-F123 WeakPolarHBondContact CA-O 3.31Å; P56-F123 HydrophobicContact CB-CE1 4.44Å; P56-F123 HydrophobicContact CG-CD1 4.19Å; P56-F123 HydrophobicContact CG-CE1 3.67Å; P56-F123 HydrophobicContact CG-CE2 4.41Å; P56-F123 HydrophobicContact CG-CZ 3.79Å; H57-F123 PolarHBondContact N-O 3.23Å; H57-F123 VanDerWaalsContact O-O 3.12Å; Y62-F123 HydrophobicContact CD2-CB 4.28Å; Y62-F123 HydrophobicContact CE2-CB 4.18Å; L95-F123 HydrophobicContact CD2-CD2 4.37Å; L95-F123 HydrophobicContact CD2-CG 4.43Å; F121-F123 HydrophobicContact CE2-CB 4.27Å
124P93.2Very high93.3Very high36 Ų3683.6 Ų83.623%0.23442%0.418CS..PPolyproline II helixtrans-70.2151.8-174.129.7-36000111.9H94 I122H94-P124 HydrophobicContact CB-CG 4.25Å; I122-P124 WeakPolarHBondContact O-CD 3.3Å
125P93.3Very high93.4Very high42 Ų4280.5 Ų80.527%0.27340%0.401SS..PPolyproline II helixtrans-63153.7167.829.5-33.7000111.3P56 D58P56-P125 HydrophobicContact CB-CB 4.17Å; D58-P125 WeakPolarHBondContact OD1-CD 3.08Å; D58-P125 WeakPolarHBondContact OD1-CG 3.42Å
126F88.7Confident93.4Very high209 Ų20984.9 Ų84.992%0.91741%0.411SS*.PPolyproline II helixtrans-67.1131168.8-167.2-96.9000108.7
127Q76.9Confident93.2Very high232 Ų23283 Ų83100%1.08440%0.396SS*.  trans-97.40177.3-72.2-175.1-12.200110.9

Retrieved 127 of 127 residues in 42.7 ms (Link to these results)

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