A0A087WZC1_HUMAN Loading...

Mitochondrial rRNA methyltransferase 1

AlphaFold DB , UniProt , Accession A0A087WZC1, Species HUMAN (Homo sapiens, Human), Gene MRM1, Length 158 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
1M47.5Very low85Confident233 Ų233147.6 Ų147.6100%1.14879%0.787SS**  01160-146.8174.8-169.800105.2V3M1-V3 PolarHBondContact O-N 3.38Å
2E56.5Low85.8Confident189 Ų189141.5 Ų141.588%0.88375%0.754SS**  trans-70.8124.4175.3-58.8-164169.900107.3
3V81Confident86.6Confident137 Ų137131.9 Ų131.983%0.8370%0.704SS**  trans-96.7120.5178.5-179.40000106.5M1M1-V3 PolarHBondContact O-N 3.38Å
4M85.9Confident87.3Confident163 Ų163123.6 Ų123.680%0.80367%0.666SS**  trans-130132.5-178.7-143.8152.115700107.6
5D92.4Very high88Confident129 Ų129121.1 Ų121.169%0.6965%0.646SS**  trans-69.6134.8-179.7-62.9-45.3000110.1F7D5-F7 HydrophobicContact CB-CD2 4.32Å; D5-F7 HydrophobicContact CB-CE2 3.4Å; D5-F7 HydrophobicContact CB-CZ 3.53Å
6V93.9Very high88.6Confident137 Ų137113.8 Ų113.883%0.8361%0.607SS**  trans-110.1125.2178.9-178.70000108.8
7F94.4Very high89.1Confident180 Ų180112.6 Ų112.679%0.78960%0.597SS**  trans-122.5157.5178.9-55.3-80.5000110.4D5D5-F7 HydrophobicContact CB-CD2 4.32Å; D5-F7 HydrophobicContact CB-CE2 3.4Å; D5-F7 HydrophobicContact CB-CZ 3.53Å
8S95.9Very high89.5Confident119 Ų119110 Ų11083%0.83259%0.586SS**  trans-134.3150.8174.8-174.30000109.5
9T95.9Very high89.9Confident69 Ų69106.8 Ų106.842%0.42357%0.567SS.*  trans-142.6141.8177.1-1770000108.9D11 L12T9-D11 VanDerWaalsContact C-N 3.34Å; T9-D11 PolarHBondContact OG1-N 3.33Å; T9-D11 PolarHBondContact OG1-O 3.32Å; T9-D11 VanDerWaalsContact OG1-O 3.07Å; T9-L12 HydrophobicContact CG2-CB 4.31Å; T9-L12 HydrophobicContact CG2-CD1 4.35Å
10D95.5Very high90.2Very high177 Ų177103.1 Ų103.195%0.94755%0.552SS**SBendtrans-81.9-19.4172.7-58.9-49000111.7
11D95.8Very high90.5Very high91 Ų91105.9 Ų105.949%0.48756%0.562SS.*  trans-121.588.9177.4179.816000110T9 T13 G14 F15T9-D11 VanDerWaalsContact C-N 3.34Å; T9-D11 PolarHBondContact OG1-N 3.33Å; T9-D11 PolarHBondContact OG1-O 3.32Å; T9-D11 VanDerWaalsContact OG1-O 3.07Å; D11-T13 PolarHBondContact OD1-N 2.92Å; D11-G14 PolarHBondContact OD1-N 2.83Å; D11-G14 WeakPolarHBondContact OD2-CA 3.44Å; D11-F15 WeakPolarHBondContact O-CB 3.29Å; D11-F15 PolarHBondContact O-N 3.33Å
12L95.4Very high92.9Very high74 Ų74100.1 Ų100.139%0.38753%0.532SS..Hα-helixtrans-71.3-43.5176.9-179.960.9000110.9T9 F15 L16 V72T9-L12 HydrophobicContact CG2-CB 4.31Å; T9-L12 HydrophobicContact CG2-CD1 4.35Å; L12-F15 WeakPolarHBondContact O-CB 3.32Å; L12-F15 PolarHBondContact O-N 3.41Å; L12-L16 HydrophobicContact CD1-CD1 4.4Å; L12-L16 HydrophobicContact CD1-CD2 4.36Å; L12-L16 HydrophobicContact CD1-CG 4.16Å; L12-L16 HydrophobicContact CG-CD1 4.15Å; L12-L16 HydrophobicContact CG-CG 4.33Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 3.4Å; L12-V72 HydrophobicContact CD2-CG2 3.94Å
13T95.7Very high94.8Very high17 Ų1793.1 Ų93.110%0.10451%0.51CS..Hα-helixtrans-58.8-51.7-178-54.20000111.3D11 F15 L16 Q17 E71 S75D11-T13 PolarHBondContact OD1-N 2.92Å; T13-F15 VanDerWaalsContact C-N 3.31Å; T13-F15 PolarHBondContact O-N 3.45Å; T13-L16 PolarHBondContact O-N 3.12Å; T13-Q17 WeakPolarHBondContact O-CG 3.42Å; T13-Q17 PolarHBondContact O-N 3.38Å; T13-E71 WeakPolarHBondContact CB-OE1 3.19Å; T13-E71 HydrophobicContact CG2-CG 3.97Å; T13-E71 WeakPolarHBondContact CG2-OE1 3.37Å; T13-E71 VanDerWaalsContact OG1-CD 3.24Å; T13-E71 PolarHBondContact OG1-OE1 3.44Å; T13-S75 WeakPolarHBondContact CG2-OG 3.46Å
14G96.9Very high95.5Very high16 Ų1690.6 Ų90.617%0.16549%0.486CS..Hα-helixtrans-63.6-35.317800000112.9D11 T18D11-G14 PolarHBondContact OD1-N 2.83Å; D11-G14 WeakPolarHBondContact OD2-CA 3.44Å; G14-T18 VanDerWaalsContact O-CB 3.29Å; G14-T18 WeakPolarHBondContact O-CB 3.28Å; G14-T18 PolarHBondContact O-N 3.41Å; G14-T18 PolarHBondContact O-OG1 2.91Å
15F97.3Very high96Very high86 Ų8683.7 Ų83.738%0.37745%0.452SS..Hα-helixtrans-62.9-48.2173.2175.7-97.5000112.1D11 L12 T13 Q17 T18 K19 L58D11-F15 WeakPolarHBondContact O-CB 3.29Å; D11-F15 PolarHBondContact O-N 3.33Å; L12-F15 WeakPolarHBondContact O-CB 3.32Å; L12-F15 PolarHBondContact O-N 3.41Å; T13-F15 VanDerWaalsContact C-N 3.31Å; T13-F15 PolarHBondContact O-N 3.45Å; F15-Q17 PolarHBondContact O-N 2.75Å; F15-T18 PolarHBondContact O-N 3.39Å; F15-K19 HydrophobicContact CD1-CG 4.46Å; F15-K19 HydrophobicContact CD2-CG 4.43Å; F15-K19 HydrophobicContact CE1-CG 4.07Å; F15-K19 HydrophobicContact CE2-CD 4.47Å; F15-K19 HydrophobicContact CE2-CG 4.05Å; F15-K19 HydrophobicContact CZ-CD 4.3Å; F15-K19 HydrophobicContact CZ-CG 3.86Å; F15-K19 WeakPolarHBondContact O-CB 3.46Å; F15-K19 WeakPolarHBondContact O-CG 3.49Å; F15-K19 PolarHBondContact O-N 3.2Å; F15-L58 HydrophobicContact CE1-CD1 4.01Å; F15-L58 HydrophobicContact CE1-CD2 4.48Å
16L97.3Very high96.3Very high4 Ų477.5 Ų77.52%0.02142%0.419CS..Hα-helixtrans-60.6-45.4178.5-66.5179.1000111.2L12 T13 K19 A20 V26 L58 V60 V72L12-L16 HydrophobicContact CD1-CD1 4.4Å; L12-L16 HydrophobicContact CD1-CD2 4.36Å; L12-L16 HydrophobicContact CD1-CG 4.16Å; L12-L16 HydrophobicContact CG-CD1 4.15Å; L12-L16 HydrophobicContact CG-CG 4.33Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 3.4Å; T13-L16 PolarHBondContact O-N 3.12Å; L16-K19 PolarHBondContact O-N 3.22Å; L16-A20 WeakPolarHBondContact O-CB 3.38Å; L16-A20 PolarHBondContact O-N 3.07Å; L16-V26 HydrophobicContact CB-CG1 4.34Å; L16-V26 HydrophobicContact CB-CG2 4.49Å; L16-V26 HydrophobicContact CD1-CG1 4.39Å; L16-V26 HydrophobicContact CD2-CG1 4Å; L16-V26 HydrophobicContact CG-CG1 4.46Å; L16-L58 HydrophobicContact CD2-CD1 4.09Å; L16-V60 HydrophobicContact CD1-CG2 4.2Å; L16-V60 HydrophobicContact CD2-CG2 3.79Å; L16-V72 HydrophobicContact CD1-CG1 3.93Å
17Q96.6Very high96.4Very high94 Ų9471 Ų7144%0.43938%0.38SS..Hα-helixtrans-63.3-44177.7-70.4176.75.200112.1T13 F15 K19 A20 Q21T13-Q17 WeakPolarHBondContact O-CG 3.42Å; T13-Q17 PolarHBondContact O-N 3.38Å; F15-Q17 PolarHBondContact O-N 2.75Å; Q17-K19 VanDerWaalsContact C-N 3.3Å; Q17-K19 PolarHBondContact O-N 3.17Å; Q17-A20 WeakPolarHBondContact O-CB 3.05Å; Q17-A20 PolarHBondContact O-N 3.09Å; Q17-Q21 WeakPolarHBondContact O-CG 3.33Å; Q17-Q21 PolarHBondContact O-N 3.41Å
18T97.6Very high96.5Very high65 Ų6562.4 Ų62.440%0.39934%0.342SS..Hα-helixtrans-59.8-43176.7-61.80000111G14 F15 Q21 Q22G14-T18 VanDerWaalsContact O-CB 3.29Å; G14-T18 WeakPolarHBondContact O-CB 3.28Å; G14-T18 PolarHBondContact O-N 3.41Å; G14-T18 PolarHBondContact O-OG1 2.91Å; F15-T18 PolarHBondContact O-N 3.39Å; T18-Q21 PolarHBondContact O-N 3.3Å; T18-Q22 WeakPolarHBondContact O-CG 3.45Å; T18-Q22 PolarHBondContact O-N 3.24Å; T18-Q22 VanDerWaalsContact O-N 3.08Å
19K97Very high96.5Very high49 Ų4957.8 Ų57.821%0.21331%0.309CS..Hα-helixtrans-69.2-38.1178.8-71.2-76.8168.7-1590112.1F15 L16 Q17 Q21 Q22 G23 W24 L58F15-K19 HydrophobicContact CD1-CG 4.46Å; F15-K19 HydrophobicContact CD2-CG 4.43Å; F15-K19 HydrophobicContact CE1-CG 4.07Å; F15-K19 HydrophobicContact CE2-CD 4.47Å; F15-K19 HydrophobicContact CE2-CG 4.05Å; F15-K19 HydrophobicContact CZ-CD 4.3Å; F15-K19 HydrophobicContact CZ-CG 3.86Å; F15-K19 WeakPolarHBondContact O-CB 3.46Å; F15-K19 WeakPolarHBondContact O-CG 3.49Å; F15-K19 PolarHBondContact O-N 3.2Å; L16-K19 PolarHBondContact O-N 3.22Å; Q17-K19 VanDerWaalsContact C-N 3.3Å; Q17-K19 PolarHBondContact O-N 3.17Å; K19-Q21 VanDerWaalsContact C-N 3.33Å; K19-Q21 PolarHBondContact O-N 3.07Å; K19-Q22 CarbonylContact O-C 3.53Å; K19-Q22 WeakPolarHBondContact O-CA 3.48Å; K19-Q22 WeakPolarHBondContact O-CB 3.29Å; K19-Q22 PolarHBondContact O-N 3.02Å; K19-Q22 VanDerWaalsContact O-N 3.09Å; K19-G23 PolarHBondContact O-N 3.46Å; K19-W24 HydrophobicContact CB-CB 4.21Å; K19-W24 HydrophobicContact CB-CG 4.32Å; K19-W24 HydrophobicContact CD-CD2 4.36Å; K19-W24 HydrophobicContact CD-CG 4.34Å; K19-W24 VanDerWaalsContact O-CB 3.28Å; K19-W24 WeakPolarHBondContact O-CB 3.35Å; K19-W24 PolarHBondContact O-N 2.93Å; K19-L58 HydrophobicContact CB-CD1 3.41Å; K19-L58 VanDerWaalsContact CB-CD1 3.41Å; K19-L58 HydrophobicContact CD-CD1 4.48Å; K19-L58 HydrophobicContact CG-CD1 3.73Å
20A96.1Very high96.3Very high32 Ų3256.1 Ų56.126%0.26430%0.299SS..Hα-helixtrans-57.7-45.3171.800000111.9L16 Q17 Q22 G23 W24 V26 Q77L16-A20 WeakPolarHBondContact O-CB 3.38Å; L16-A20 PolarHBondContact O-N 3.07Å; Q17-A20 WeakPolarHBondContact O-CB 3.05Å; Q17-A20 PolarHBondContact O-N 3.09Å; A20-Q22 PolarHBondContact O-N 3.01Å; A20-G23 PolarHBondContact O-N 2.83Å; A20-W24 WeakPolarHBondContact CA-O 3.43Å; A20-V26 HydrophobicContact CB-CG2 4.08Å; A20-Q77 VanDerWaalsContact CB-NE2 3.32Å
21Q96.6Very high96Very high163 Ų16349.6 Ų49.676%0.76227%0.273SS*.Hα-helixtrans-64.2-28.5175.6-67.9171.215.100113Q17 T18 K19 G23Q17-Q21 WeakPolarHBondContact O-CG 3.33Å; Q17-Q21 PolarHBondContact O-N 3.41Å; T18-Q21 PolarHBondContact O-N 3.3Å; K19-Q21 VanDerWaalsContact C-N 3.33Å; K19-Q21 PolarHBondContact O-N 3.07Å; Q21-G23 PolarHBondContact O-N 3.43Å
22Q96.8Very high95.2Very high111 Ų11147 Ų4752%0.51926%0.262SS..THydrogen-bonded Turntrans-78.98.1173.2-68.3172.60.500113.4T18 K19 A20T18-Q22 WeakPolarHBondContact O-CG 3.45Å; T18-Q22 PolarHBondContact O-N 3.24Å; T18-Q22 VanDerWaalsContact O-N 3.08Å; K19-Q22 CarbonylContact O-C 3.53Å; K19-Q22 WeakPolarHBondContact O-CA 3.48Å; K19-Q22 WeakPolarHBondContact O-CB 3.29Å; K19-Q22 PolarHBondContact O-N 3.02Å; K19-Q22 VanDerWaalsContact O-N 3.09Å; A20-Q22 PolarHBondContact O-N 3.01Å
23G96.1Very high94.2Very high42 Ų4247.1 Ų47.143%0.43327%0.267SS..THydrogen-bonded Turntrans8411.2177.800000114.7K19 A20 Q21K19-G23 PolarHBondContact O-N 3.46Å; A20-G23 PolarHBondContact O-N 2.83Å; Q21-G23 PolarHBondContact O-N 3.43Å
24W97.3Very high92.8Very high85 Ų8549.3 Ų49.332%0.32228%0.282SS..  trans-78139.5171.4-6758.9000110.4K19 A20 P56 L58 Q77K19-W24 HydrophobicContact CB-CB 4.21Å; K19-W24 HydrophobicContact CB-CG 4.32Å; K19-W24 HydrophobicContact CD-CD2 4.36Å; K19-W24 HydrophobicContact CD-CG 4.34Å; K19-W24 VanDerWaalsContact O-CB 3.28Å; K19-W24 WeakPolarHBondContact O-CB 3.35Å; K19-W24 PolarHBondContact O-N 2.93Å; A20-W24 WeakPolarHBondContact CA-O 3.43Å; W24-P56 CarbonylContact C-O 3.58Å; W24-P56 VanDerWaalsContact CA-O 3.32Å; W24-P56 WeakPolarHBondContact CA-O 3.28Å; W24-P56 HydrophobicContact CD2-CB 3.54Å; W24-P56 HydrophobicContact CE3-CB 3.67Å; W24-P56 HydrophobicContact CG-CB 4Å; W24-P56 HydrophobicContact CH2-CB 4.24Å; W24-P56 HydrophobicContact CZ2-CB 4.1Å; W24-P56 HydrophobicContact CZ3-CB 4.04Å; W24-L58 HydrophobicContact CE3-CD2 3.96Å; W24-L58 HydrophobicContact CE3-CG 3.79Å; W24-L58 HydrophobicContact CZ3-CD2 4.02Å; W24-L58 HydrophobicContact CZ3-CG 4.36Å; W24-Q77 PolarHBondContact O-NE2 3.34Å
25L96.6Very high91Very high17 Ų1755.4 Ų55.49%0.08932%0.317CS..EExtended strand (participates in β ladder)trans-76.5123.2166.3174.766000109.3F51 R55 P56 T57 L58 Q77L25-F51 HydrophobicContact CD2-CE2 3.39Å; L25-F51 HydrophobicContact CD2-CZ 3.46Å; L25-F51 VanDerWaalsContact CD2-CZ 3.46Å; L25-R55 HydrophobicContact CB-CG 4.05Å; L25-P56 PolarHBondContact N-O 2.84Å; L25-T57 HydrophobicContact CB-CG2 4.38Å; L25-T57 HydrophobicContact CD2-CG2 4.12Å; L25-T57 HydrophobicContact CG-CG2 4.31Å; L25-T57 CarbonylContact O-C 3.52Å; L25-T57 VanDerWaalsContact O-CA 3.29Å; L25-T57 WeakPolarHBondContact O-CA 3.23Å; L25-L58 PolarHBondContact O-N 2.84Å; L25-Q77 HydrophobicContact CD1-CB 4.02Å
26V97.6Very high88.8Confident0 Ų058.3 Ų58.30%033%0.331CS..EExtended strand (participates in β ladder)trans-96.7110.4170.1-177.70000108.5L16 A20 L58 V60 C76 Q77 L78L16-V26 HydrophobicContact CB-CG1 4.34Å; L16-V26 HydrophobicContact CB-CG2 4.49Å; L16-V26 HydrophobicContact CD1-CG1 4.39Å; L16-V26 HydrophobicContact CD2-CG1 4Å; L16-V26 HydrophobicContact CG-CG1 4.46Å; A20-V26 HydrophobicContact CB-CG2 4.08Å; V26-L58 HydrophobicContact CG2-CD1 4.29Å; V26-V60 HydrophobicContact CG1-CG2 4Å; V26-C76 HydrophobicContact CG1-CB 4.4Å; V26-Q77 PolarHBondContact O-N 3.48Å; V26-L78 PolarHBondContact O-N 2.88Å
27A96.9Very high86.7Confident0 Ų062.9 Ų62.90%036%0.356CS..EExtended strand (participates in β ladder)trans-112.1113.1179.300000109.9T57 L58 L59 V60 L78 L80A27-T57 HydrophobicContact CB-CG2 4.18Å; A27-L58 PolarHBondContact N-O 3.17Å; A27-L59 CarbonylContact O-C 3.57Å; A27-L59 WeakPolarHBondContact O-CA 3.29Å; A27-V60 PolarHBondContact O-N 3.35Å; A27-L78 CarbonylContact C-O 3.55Å; A27-L78 WeakPolarHBondContact CA-O 3.2Å; A27-L80 HydrophobicContact CB-CD1 4.13Å; A27-L80 HydrophobicContact CB-CG 4.35Å
28G96.5Very high84.4Confident0 Ų063.7 Ų63.70%037%0.369CS..EExtended strand (participates in β ladder)trans-85.4170.1173.300000112L78 L79 L80G28-L78 PolarHBondContact N-O 2.98Å; G28-L79 CarbonylContact O-C 3.51Å; G28-L79 WeakPolarHBondContact O-CA 3.36Å; G28-L80 PolarHBondContact O-N 2.9Å
29T95.3Very high82.2Confident21 Ų2167 Ų6713%0.12938%0.38CS..EExtended strand (participates in β ladder)trans-117.1139173.861.30000112.3L59 V60 L61 L68 L80 L104T29-L59 HydrophobicContact CG2-CD1 4.01Å; T29-V60 PolarHBondContact N-O 3.14Å; T29-V60 VanDerWaalsContact N-O 3.12Å; T29-V60 PolarHBondContact OG1-O 3.31Å; T29-L61 HydrophobicContact CG2-CD2 3.77Å; T29-L68 WeakPolarHBondContact O-CD1 3.43Å; T29-L80 WeakPolarHBondContact CA-O 3.47Å; T29-L104 HydrophobicContact CG2-CD1 3.38Å
30V92.3Very high80Confident35 Ų3570.3 Ų70.321%0.21241%0.41CS..  trans-130.5157.9174-66.60000111.1I45 L79 L80 T81V30-I45 HydrophobicContact CG2-CD1 4.43Å; V30-I45 HydrophobicContact CG2-CG1 4.43Å; V30-I45 HydrophobicContact CG2-CG2 4.12Å; V30-L79 HydrophobicContact CG1-CB 4.16Å; V30-L79 HydrophobicContact CG1-CD1 3.83Å; V30-L79 HydrophobicContact CG1-CD2 4.14Å; V30-L79 HydrophobicContact CG1-CG 4.24Å; V30-L79 HydrophobicContact CG2-CB 3.99Å; V30-L80 PolarHBondContact N-O 3.03Å; V30-T81 PolarHBondContact O-OG1 3.24Å
31G88.1Confident78.2Confident39 Ų3971.3 Ų71.340%0.40241%0.414SS..  trans-62.4-177.517200000112.6P33 T81G31-P33 WeakPolarHBondContact O-CD 3.35Å; G31-T81 PolarHBondContact O-OG1 3.45Å
32C79.6Confident77.1Confident38 Ų3873.1 Ų73.126%0.25742%0.423SS..PPolyproline II helixtrans-64.4124.9172.3-173.80000108.3S34 P84 L88C32-S34 PolarHBondContact O-N 2.97Å; C32-S34 VanDerWaalsContact O-N 3.13Å; C32-P84 VanDerWaalsContact SG-CD 3.56Å; C32-L88 HydrophobicContact CB-CD1 4.02Å
33P74.4Confident76.7Confident76 Ų7669.1 Ų69.149%0.49441%0.405SS..PPolyproline II helixtrans-60.9121.917624.2-31.3000108.5G31G31-P33 WeakPolarHBondContact O-CD 3.35Å
34S66.9Low76.6Confident62 Ų6270.8 Ų70.843%0.43441%0.408SS..PPolyproline II helixtrans-91.2144.8177-55.40000108.8C32 E36 D37C32-S34 PolarHBondContact O-N 2.97Å; C32-S34 VanDerWaalsContact O-N 3.13Å; S34-E36 PolarHBondContact O-N 3.34Å; S34-E36 VanDerWaalsContact O-N 3.17Å; S34-D37 PolarHBondContact O-N 2.98Å
35T57.9Low76.4Confident144 Ų14470.7 Ų70.788%0.88341%0.413SS*.THydrogen-bonded Turntrans-61.2-21.117726.80000113.4
36E52.1Low76.2Confident147 Ų14772.8 Ų72.869%0.68742%0.423SS*.THydrogen-bonded Turntrans-88.6-7.8-178.548.5-107.176.500116.3S34 P38S34-E36 PolarHBondContact O-N 3.34Å; S34-E36 VanDerWaalsContact O-N 3.17Å; E36-P38 WeakPolarHBondContact O-CD 3.34Å
37D52.9Low76Confident100 Ų10073.3 Ų73.354%0.53543%0.427SS..  trans-123.480.8177.2-110.2-41.3000110.4S34 Q39S34-D37 PolarHBondContact O-N 2.98Å; D37-Q39 HydrophobicContact CB-CG 4.23Å; D37-Q39 PolarHBondContact O-N 3.26Å; D37-Q39 WeakPolarHBondContact OD1-CG 3.35Å; D37-Q39 PolarHBondContact OD1-NE2 3.08Å
38P48.6Very low75.8Confident111 Ų11173.5 Ų73.572%0.72143%0.428SS*.  trans-73.760.3162.733.6-32000108E36 S40E36-P38 WeakPolarHBondContact O-CD 3.34Å; P38-S40 VanDerWaalsContact C-N 3.26Å; P38-S40 PolarHBondContact O-N 3.4Å
39Q50.3Low75.6Confident135 Ų13579.6 Ų79.663%0.63146%0.46SS*.  trans-70.298.6166.4-64.6-62.3-13.500105.7D37 S41D37-Q39 HydrophobicContact CB-CG 4.23Å; D37-Q39 PolarHBondContact O-N 3.26Å; D37-Q39 WeakPolarHBondContact OD1-CG 3.35Å; D37-Q39 PolarHBondContact OD1-NE2 3.08Å; Q39-S41 PolarHBondContact O-N 3.33Å
40S50.8Low75.4Confident119 Ų11984.8 Ų84.883%0.83248%0.483SS*.  trans-48.266.1174.4-57.90000112.8P38 E42P38-S40 VanDerWaalsContact C-N 3.26Å; P38-S40 PolarHBondContact O-N 3.4Å; S40-E42 PolarHBondContact O-N 2.73Å
41S58.1Low75.4Confident52 Ų5283.4 Ų83.436%0.36447%0.474SS..  trans-79114.4164.3-66.60000105.8Q39 I43Q39-S41 PolarHBondContact O-N 3.33Å; S41-I43 PolarHBondContact O-N 3.19Å
42E74.2Confident75.5Confident202 Ų20286 Ų8694%0.94448%0.478SS*.SBendtrans-58.4-14.3169.5-68.3-176.916100112S40S40-E42 PolarHBondContact O-N 2.73Å
43I89.3Confident76Confident27 Ų2786.8 Ų86.814%0.13848%0.475CS..SBendtrans-81127.8-176.1-53.7161000109.9S41 Q73 L79S41-I43 PolarHBondContact O-N 3.19Å; I43-Q73 WeakPolarHBondContact CD1-O 3.29Å; I43-L79 HydrophobicContact CB-CD1 4.18Å; I43-L79 HydrophobicContact CB-CG 4.27Å; I43-L79 HydrophobicContact CG2-CD1 4.24Å; I43-L79 HydrophobicContact CG2-CG 3.78Å
44P92.8Very high76.8Confident77 Ų7790 Ų9050%0.548%0.484SS..PPolyproline II helixtrans-61.9139.2178.823.9-32.8000111.7L78 L79P44-L78 HydrophobicContact CB-CD1 4.15Å; P44-L78 HydrophobicContact CG-CD1 3.91Å; P44-L78 WeakPolarHBondContact O-CD1 3.2Å; P44-L79 PolarHBondContact O-N 3.5Å
45I93Very high77.9Confident82 Ų8292.5 Ų92.542%0.42148%0.484SS..EExtended strand (participates in β ladder)trans-101.1132.8170.8-58.5172.5000108.6V30 L79 T81V30-I45 HydrophobicContact CG2-CD1 4.43Å; V30-I45 HydrophobicContact CG2-CG1 4.43Å; V30-I45 HydrophobicContact CG2-CG2 4.12Å; I45-L79 CarbonylContact C-O 3.55Å; I45-L79 VanDerWaalsContact CA-O 3.32Å; I45-L79 WeakPolarHBondContact CA-O 3.15Å; I45-L79 HydrophobicContact CG1-CB 4.12Å; I45-L79 HydrophobicContact CG1-CD1 4.3Å; I45-T81 HydrophobicContact CG2-CG2 3.77Å
46M92.8Very high79.6Confident62 Ų6288.2 Ų88.231%0.30546%0.458SS..EExtended strand (participates in β ladder)trans-134.5143.7-177.9176.5179-75.200111.4E50 F51 L78 L79 L80 T81M46-E50 HydrophobicContact CG-CB 4.07Å; M46-E50 HydrophobicContact SD-CB 4.42Å; M46-F51 HydrophobicContact SD-CB 4.16Å; M46-F51 HydrophobicContact SD-CD2 4.19Å; M46-L78 HydrophobicContact CB-CD1 3.82Å; M46-L78 HydrophobicContact CB-CD2 4.44Å; M46-L78 HydrophobicContact CB-CG 4.43Å; M46-L78 HydrophobicContact SD-CD2 4.13Å; M46-L79 PolarHBondContact N-O 3.22Å; M46-L80 HydrophobicContact CB-CD2 4.3Å; M46-L80 HydrophobicContact CG-CD2 4.48Å; M46-L80 WeakPolarHBondContact O-CA 3.25Å; M46-T81 PolarHBondContact O-N 3.32Å
47S92.9Very high81.7Confident10 Ų1082.2 Ų82.27%0.0743%0.432CS..EExtended strand (participates in β ladder)trans-65135.9170.7176.10000110.7L49 E50 F51S47-L49 PolarHBondContact O-N 2.59Å; S47-L49 PolarHBondContact OG-N 3.2Å; S47-E50 PolarHBondContact O-N 2.83Å; S47-F51 PolarHBondContact O-N 3.22Å
48C93.1Very high83.8Confident4 Ų479 Ų793%0.02742%0.415CS..THydrogen-bonded Turntrans-60.3-18.4176.369.60000114.2T81 L104 S107 Q111C48-T81 PolarHBondContact N-O 3.31Å; C48-L104 HydrophobicContact CB-CD2 3.5Å; C48-L104 VanDerWaalsContact CB-CD2 3.5Å; C48-S107 PolarHBondContact O-OG 3.3Å; C48-Q111 PolarHBondContact O-NE2 3.34Å
49L92.2Very high86Confident129 Ų12975.9 Ų75.968%0.67539%0.392SS*.THydrogen-bonded Turntrans-78.7-21.9175.8-61.3176.7000113S47 Q111S47-L49 PolarHBondContact O-N 2.59Å; S47-L49 PolarHBondContact OG-N 3.2Å; L49-Q111 PolarHBondContact O-OE1 2.82Å
50E91.6Very high88.3Confident130 Ų13070.2 Ų70.261%0.60737%0.366SS*.THydrogen-bonded Turntrans-95.1-10.8178.8-65.6171.3-172.200111.9M46 S47 L52M46-E50 HydrophobicContact CG-CB 4.07Å; M46-E50 HydrophobicContact SD-CB 4.42Å; S47-E50 PolarHBondContact O-N 2.83Å; E50-L52 PolarHBondContact O-N 2.78Å
51F92.6Very high90.4Very high5 Ų567.8 Ų67.82%0.02234%0.344CS..  trans-73.1115.5-177179.8-98.3000112.4L25 M46 S47 W53 T57 L78 L80 I108 Q111L25-F51 HydrophobicContact CD2-CE2 3.39Å; L25-F51 HydrophobicContact CD2-CZ 3.46Å; L25-F51 VanDerWaalsContact CD2-CZ 3.46Å; M46-F51 HydrophobicContact SD-CB 4.16Å; M46-F51 HydrophobicContact SD-CD2 4.19Å; S47-F51 PolarHBondContact O-N 3.22Å; F51-W53 HydrophobicContact CE1-CB 4.21Å; F51-T57 HydrophobicContact CZ-CG2 4.13Å; F51-L78 HydrophobicContact CD2-CD2 3.6Å; F51-L78 HydrophobicContact CE2-CD2 3.73Å; F51-L80 HydrophobicContact CB-CD2 3.83Å; F51-L80 HydrophobicContact CD2-CD1 4.44Å; F51-L80 HydrophobicContact CD2-CD2 3.8Å; F51-L80 HydrophobicContact CG-CD1 4.27Å; F51-L80 HydrophobicContact CG-CD2 3.93Å; F51-I108 HydrophobicContact CD1-CB 4.48Å; F51-I108 HydrophobicContact CD1-CD1 4.43Å; F51-I108 HydrophobicContact CD1-CG1 3.73Å; F51-I108 HydrophobicContact CD1-CG2 4.32Å; F51-I108 HydrophobicContact CE1-CG1 4.09Å; F51-I108 HydrophobicContact CE1-CG2 4.03Å; F51-Q111 PolarHBondContact O-OE1 2.88Å
52L89.9Confident92Very high93 Ų9366 Ų6649%0.48733%0.333SS..  trans-92.2123.6174.6-60178.9000111.2E50 E54E50-L52 PolarHBondContact O-N 2.78Å; L52-E54 HydrophobicContact CB-CG 3.9Å; L52-E54 PolarHBondContact O-N 3.05Å; L52-E54 VanDerWaalsContact O-N 3.13Å
53W90.1Very high92.6Very high55 Ų5561.9 Ų61.921%0.20832%0.318CS..  trans-83.288.7175.9-165.76.7000110.7F51 R55 I108 C109 R112 F115F51-W53 HydrophobicContact CE1-CB 4.21Å; W53-R55 PolarHBondContact NE1-O 3.28Å; W53-I108 HydrophobicContact CB-CG2 4.07Å; W53-I108 HydrophobicContact CD2-CG2 3.65Å; W53-I108 HydrophobicContact CE3-CG2 3.5Å; W53-I108 HydrophobicContact CG-CG2 3.93Å; W53-I108 HydrophobicContact CZ3-CG2 4.1Å; W53-C109 HydrophobicContact CZ3-CB 4.4Å; W53-R112 HydrophobicContact CD2-CG 4.48Å; W53-R112 HydrophobicContact CE3-CB 3.99Å; W53-R112 HydrophobicContact CE3-CG 3.93Å; W53-R112 HydrophobicContact CZ3-CG 4.35Å; W53-F115 HydrophobicContact CB-CE2 4.46Å; W53-F115 AromaticContact CD1-CE2 3.74Å; W53-F115 AromaticContact CD1-CZ 3.91Å; W53-F115 HydrophobicContact CD2-CE2 4.1Å; W53-F115 AromaticContact CG-CE2 3.85Å; W53-F115 HydrophobicContact CG-CE2 3.85Å; W53-F115 HydrophobicContact CG-CZ 4.34Å; W53-F115 AromaticContact NE1-CE2 3.92Å; W53-F115 WeakPolarHBondContact O-CE2 3.44Å; W53-F115 WeakPolarHBondContact O-CZ 3.48Å
54E90.1Very high92.3Very high144 Ų14466 Ų6667%0.67334%0.336SS*.  trans-113.2-7.4-173.4-61.2-169.1148.800115.9L52 F115L52-E54 HydrophobicContact CB-CG 3.9Å; L52-E54 PolarHBondContact O-N 3.05Å; L52-E54 VanDerWaalsContact O-N 3.13Å; E54-F115 WeakPolarHBondContact O-CE1 3.49Å
55R90.6Very high91.7Very high114 Ų11465.8 Ų65.843%0.4335%0.348SS..SBendtrans-147.1168.7173.959.1-172.9177.2166.711.6110.6L25 W53 T57 F115L25-R55 HydrophobicContact CB-CG 4.05Å; W53-R55 PolarHBondContact NE1-O 3.28Å; R55-T57 PolarHBondContact O-N 3.04Å; R55-T57 PolarHBondContact O-OG1 3.12Å; R55-T57 VanDerWaalsContact O-OG1 3.05Å; R55-F115 VanDerWaalsContact N-CZ 3.27Å
56P94.7Very high91.3Very high54 Ų5466.2 Ų66.235%0.35136%0.358SS..  trans-51.8129.4172.7-26.936.2000110.8W24 L25W24-P56 CarbonylContact C-O 3.58Å; W24-P56 VanDerWaalsContact CA-O 3.32Å; W24-P56 WeakPolarHBondContact CA-O 3.28Å; W24-P56 HydrophobicContact CD2-CB 3.54Å; W24-P56 HydrophobicContact CE3-CB 3.67Å; W24-P56 HydrophobicContact CG-CB 4Å; W24-P56 HydrophobicContact CH2-CB 4.24Å; W24-P56 HydrophobicContact CZ2-CB 4.1Å; W24-P56 HydrophobicContact CZ3-CB 4.04Å; L25-P56 PolarHBondContact N-O 2.84Å
57T94.6Very high91.2Very high22 Ų2264.7 Ų64.714%0.13536%0.359CS..EExtended strand (participates in β ladder)trans-127.6131.9-171.6-610000110.3L25 A27 F51 R55L25-T57 HydrophobicContact CB-CG2 4.38Å; L25-T57 HydrophobicContact CD2-CG2 4.12Å; L25-T57 HydrophobicContact CG-CG2 4.31Å; L25-T57 CarbonylContact O-C 3.52Å; L25-T57 VanDerWaalsContact O-CA 3.29Å; L25-T57 WeakPolarHBondContact O-CA 3.23Å; A27-T57 HydrophobicContact CB-CG2 4.18Å; F51-T57 HydrophobicContact CZ-CG2 4.13Å; R55-T57 PolarHBondContact O-N 3.04Å; R55-T57 PolarHBondContact O-OG1 3.12Å; R55-T57 VanDerWaalsContact O-OG1 3.05Å
58L96.8Very high91.2Very high33 Ų3364.8 Ų64.817%0.17336%0.358CS..EExtended strand (participates in β ladder)trans-96.3115.6164.3-69.5176.5000108.4F15 L16 K19 W24 L25 V26 A27F15-L58 HydrophobicContact CE1-CD1 4.01Å; F15-L58 HydrophobicContact CE1-CD2 4.48Å; L16-L58 HydrophobicContact CD2-CD1 4.09Å; K19-L58 HydrophobicContact CB-CD1 3.41Å; K19-L58 VanDerWaalsContact CB-CD1 3.41Å; K19-L58 HydrophobicContact CD-CD1 4.48Å; K19-L58 HydrophobicContact CG-CD1 3.73Å; W24-L58 HydrophobicContact CE3-CD2 3.96Å; W24-L58 HydrophobicContact CE3-CG 3.79Å; W24-L58 HydrophobicContact CZ3-CD2 4.02Å; W24-L58 HydrophobicContact CZ3-CG 4.36Å; L25-L58 PolarHBondContact O-N 2.84Å; V26-L58 HydrophobicContact CG2-CD1 4.29Å; A27-L58 PolarHBondContact N-O 3.17Å
59L96.7Very high91.2Very high45 Ų4567.7 Ų67.724%0.23638%0.379CS..EExtended strand (participates in β ladder)trans-91.7120.8171-178.266.1000108.8A27 T29 L61 L80 L104 L105 I108A27-L59 CarbonylContact O-C 3.57Å; A27-L59 WeakPolarHBondContact O-CA 3.29Å; T29-L59 HydrophobicContact CG2-CD1 4.01Å; L59-L61 HydrophobicContact CD2-CD2 4.48Å; L59-L80 HydrophobicContact CD1-CD1 3.99Å; L59-L104 HydrophobicContact CD2-CB 4.08Å; L59-L105 HydrophobicContact CD2-CD2 4.03Å; L59-L105 HydrophobicContact CD2-CG 4.39Å; L59-I108 HydrophobicContact CD1-CD1 4.17Å; L59-I108 HydrophobicContact CD2-CD1 4.05Å
60V97.1Very high91.2Very high15 Ų1569.6 Ų69.69%0.09138%0.384CS..EExtended strand (participates in β ladder)trans-108.3117-178.5-1650000109.5L16 V26 A27 T29 L68 V72L16-V60 HydrophobicContact CD1-CG2 4.2Å; L16-V60 HydrophobicContact CD2-CG2 3.79Å; V26-V60 HydrophobicContact CG1-CG2 4Å; A27-V60 PolarHBondContact O-N 3.35Å; T29-V60 PolarHBondContact N-O 3.14Å; T29-V60 VanDerWaalsContact N-O 3.12Å; T29-V60 PolarHBondContact OG1-O 3.31Å; V60-L68 HydrophobicContact CB-CD2 4.35Å; V60-L68 HydrophobicContact CG1-CD2 3.66Å; V60-V72 HydrophobicContact CG1-CG1 3.8Å
61L95.6Very high91.2Very high69 Ų6969.1 Ų69.136%0.36138%0.382SS..PPolyproline II helixtrans-98.4135.8179.5-61.8168.5000110.1T29 L59 V97 A101 L104T29-L61 HydrophobicContact CG2-CD2 3.77Å; L59-L61 HydrophobicContact CD2-CD2 4.48Å; L61-V97 HydrophobicContact CB-CG2 4.33Å; L61-A101 HydrophobicContact CD1-CB 3.57Å; L61-A101 HydrophobicContact CD2-CB 4.32Å; L61-L104 HydrophobicContact CD2-CD1 3.89Å
62G91.4Very high91.3Very high14 Ų1469.5 Ų69.514%0.14438%0.384CS..PPolyproline II helixtrans-80.6168.8176.900000113.6V97G62-V97 WeakPolarHBondContact O-CG2 3.42Å
63N87.7Confident91.5Very high116 Ų11667 Ų6762%0.6237%0.371SS*.BIsolated β-bridgetrans-71.1155.4169.1-172.124.3000110.7G65 G67N63-G65 PolarHBondContact O-N 3.07Å; N63-G67 PolarHBondContact N-O 3.17Å; N63-G67 VanDerWaalsContact O-CA 3.31Å; N63-G67 WeakPolarHBondContact O-CA 3.07Å; N63-G67 PolarHBondContact O-N 3.2Å
64E82.8Confident91.6Very high113 Ų11368 Ų6853%0.52839%0.391SS..THydrogen-bonded Turntrans-63135.2172.3-168.4161-143.200110.2S66 N96E64-S66 VanDerWaalsContact C-N 3.33Å; E64-S66 PolarHBondContact O-N 3.25Å; E64-N96 PolarHBondContact OE1-ND2 2.9Å
65G80Confident91.8Very high73 Ų7361.9 Ų61.975%0.75336%0.364SS*.THydrogen-bonded Turntrans81.1-66.9-175.700000113.7N63 G67N63-G65 PolarHBondContact O-N 3.07Å; G65-G67 PolarHBondContact O-N 3.49Å
66S84.4Confident92Very high90 Ų9056.9 Ų56.963%0.62935%0.346SS*.THydrogen-bonded Turntrans-78.6-17.7-173.465.80000114.5E64E64-S66 VanDerWaalsContact C-N 3.33Å; E64-S66 PolarHBondContact O-N 3.25Å
67G90.9Very high92.1Very high30 Ų3057.6 Ų57.631%0.30934%0.344SS..BIsolated β-bridgetrans66-148.2-174.600000112.8N63 G65N63-G67 PolarHBondContact N-O 3.17Å; N63-G67 VanDerWaalsContact O-CA 3.31Å; N63-G67 WeakPolarHBondContact O-CA 3.07Å; N63-G67 PolarHBondContact O-N 3.2Å; G65-G67 PolarHBondContact O-N 3.49Å
68L92.7Very high92.1Very high13 Ų1357.3 Ų57.37%0.06834%0.342CS..SBendtrans-78.8140.4174.5-65.2176.4000110.4T29 V60 V72 Q73T29-L68 WeakPolarHBondContact O-CD1 3.43Å; V60-L68 HydrophobicContact CB-CD2 4.35Å; V60-L68 HydrophobicContact CG1-CD2 3.66Å; L68-V72 HydrophobicContact CD2-CG1 3.91Å; L68-Q73 HydrophobicContact CB-CG 3.49Å; L68-Q73 VanDerWaalsContact CB-CG 3.49Å; L68-Q73 HydrophobicContact CD1-CG 4.14Å; L68-Q73 HydrophobicContact CG-CG 4.46Å; L68-Q73 PolarHBondContact O-NE2 2.68Å
69S93.1Very high92.1Very high64 Ų6455.8 Ų55.845%0.44833%0.334SS..  trans-63.1153.8170.470.10000110.9E71 V72 Q73S69-E71 PolarHBondContact O-N 3.4Å; S69-V72 PolarHBondContact O-N 3.28Å; S69-V72 VanDerWaalsContact O-N 3.14Å; S69-V72 VanDerWaalsContact OG-CG2 3.28Å; S69-V72 WeakPolarHBondContact OG-CG2 3.41Å; S69-V72 PolarHBondContact OG-N 3.03Å; S69-Q73 WeakPolarHBondContact O-CG 3.28Å; S69-Q73 PolarHBondContact O-N 2.85Å
70Q90.9Very high92Very high169 Ų16953.7 Ų53.779%0.7932%0.323SS*.Hα-helixtrans-56.8-37.1179.3-71.4180-14.500112.7Q73 A74Q70-Q73 PolarHBondContact O-N 3.44Å; Q70-A74 VanDerWaalsContact O-CB 3.32Å; Q70-A74 WeakPolarHBondContact O-CB 3.18Å; Q70-A74 PolarHBondContact O-N 3.16Å
71E92.9Very high91.8Very high120 Ų12053.2 Ų53.256%0.56132%0.32SS*.Hα-helixtrans-65.1-42.8177.9-170-171.5162.500112.4T13 S69 A74 S75T13-E71 WeakPolarHBondContact CB-OE1 3.19Å; T13-E71 HydrophobicContact CG2-CG 3.97Å; T13-E71 WeakPolarHBondContact CG2-OE1 3.37Å; T13-E71 VanDerWaalsContact OG1-CD 3.24Å; T13-E71 PolarHBondContact OG1-OE1 3.44Å; S69-E71 PolarHBondContact O-N 3.4Å; E71-A74 PolarHBondContact O-N 3.44Å; E71-S75 PolarHBondContact O-N 2.96Å; E71-S75 PolarHBondContact O-OG 3.49Å
72V94.3Very high91.7Very high13 Ų1352 Ų528%0.07931%0.314CS..Hα-helixtrans-70.1-41.21771730000110.5L12 L16 V60 L68 S69 A74 S75 C76L12-V72 HydrophobicContact CD2-CG2 3.94Å; L16-V72 HydrophobicContact CD1-CG1 3.93Å; V60-V72 HydrophobicContact CG1-CG1 3.8Å; L68-V72 HydrophobicContact CD2-CG1 3.91Å; S69-V72 PolarHBondContact O-N 3.28Å; S69-V72 VanDerWaalsContact O-N 3.14Å; S69-V72 VanDerWaalsContact OG-CG2 3.28Å; S69-V72 WeakPolarHBondContact OG-CG2 3.41Å; S69-V72 PolarHBondContact OG-N 3.03Å; V72-A74 PolarHBondContact O-N 3.49Å; V72-S75 PolarHBondContact O-N 3.48Å; V72-S75 VanDerWaalsContact O-N 3.17Å; V72-C76 PolarHBondContact O-N 2.97Å; V72-C76 PolarHBondContact O-SG 3.41Å
73Q93.3Very high91.7Very high42 Ų4255.9 Ų55.920%0.19633%0.33CS..Hα-helixtrans-57.4-49.3173-69.6-174.127.700110.3I43 L68 S69 Q70 S75 C76I43-Q73 WeakPolarHBondContact CD1-O 3.29Å; L68-Q73 HydrophobicContact CB-CG 3.49Å; L68-Q73 VanDerWaalsContact CB-CG 3.49Å; L68-Q73 HydrophobicContact CD1-CG 4.14Å; L68-Q73 HydrophobicContact CG-CG 4.46Å; L68-Q73 PolarHBondContact O-NE2 2.68Å; S69-Q73 WeakPolarHBondContact O-CG 3.28Å; S69-Q73 PolarHBondContact O-N 2.85Å; Q70-Q73 PolarHBondContact O-N 3.44Å; Q73-S75 PolarHBondContact O-N 2.89Å; Q73-S75 VanDerWaalsContact O-N 3.07Å; Q73-C76 WeakPolarHBondContact O-CA 3.32Å; Q73-C76 WeakPolarHBondContact O-CB 3.45Å; Q73-C76 PolarHBondContact O-N 3.2Å
74A92.6Very high91.7Very high76 Ų7652.6 Ų52.663%0.62832%0.316SS*.Hα-helixtrans-58.6-23.2178.700000114.2Q70 E71 V72Q70-A74 VanDerWaalsContact O-CB 3.32Å; Q70-A74 WeakPolarHBondContact O-CB 3.18Å; Q70-A74 PolarHBondContact O-N 3.16Å; E71-A74 PolarHBondContact O-N 3.44Å; V72-A74 PolarHBondContact O-N 3.49Å
75S94.6Very high91.8Very high15 Ų1559.1 Ų59.111%0.10534%0.335CS..THydrogen-bonded Turntrans-86.8-6.9175.6-600000113.5T13 E71 V72 Q73T13-S75 WeakPolarHBondContact CG2-OG 3.46Å; E71-S75 PolarHBondContact O-N 2.96Å; E71-S75 PolarHBondContact O-OG 3.49Å; V72-S75 PolarHBondContact O-N 3.48Å; V72-S75 VanDerWaalsContact O-N 3.17Å; Q73-S75 PolarHBondContact O-N 2.89Å; Q73-S75 VanDerWaalsContact O-N 3.07Å
76C96.1Very high92.1Very high8 Ų865.7 Ų65.75%0.05434%0.338CS..  trans-83.3145.3175.9-61.60000111V26 V72 Q73 L79V26-C76 HydrophobicContact CG1-CB 4.4Å; V72-C76 PolarHBondContact O-N 2.97Å; V72-C76 PolarHBondContact O-SG 3.41Å; Q73-C76 WeakPolarHBondContact O-CA 3.32Å; Q73-C76 WeakPolarHBondContact O-CB 3.45Å; Q73-C76 PolarHBondContact O-N 3.2Å; C76-L79 HydrophobicContact CB-CD2 4.01Å
77Q96.2Very high91.9Very high69 Ų6970.6 Ų70.632%0.32235%0.351SS..SBendtrans-92.3-21.1175.4-64.615357.100111.7A20 W24 L25 V26A20-Q77 VanDerWaalsContact CB-NE2 3.32Å; W24-Q77 PolarHBondContact O-NE2 3.34Å; L25-Q77 HydrophobicContact CD1-CB 4.02Å; V26-Q77 PolarHBondContact O-N 3.48Å
78L94.8Very high91.4Very high17 Ų1772.5 Ų72.59%0.08935%0.353CS..EExtended strand (participates in β ladder)trans-149.4146.4-178.3-178.571.4000108.7V26 A27 G28 P44 M46 F51 L80V26-L78 PolarHBondContact O-N 2.88Å; A27-L78 CarbonylContact C-O 3.55Å; A27-L78 WeakPolarHBondContact CA-O 3.2Å; G28-L78 PolarHBondContact N-O 2.98Å; P44-L78 HydrophobicContact CB-CD1 4.15Å; P44-L78 HydrophobicContact CG-CD1 3.91Å; P44-L78 WeakPolarHBondContact O-CD1 3.2Å; M46-L78 HydrophobicContact CB-CD1 3.82Å; M46-L78 HydrophobicContact CB-CD2 4.44Å; M46-L78 HydrophobicContact CB-CG 4.43Å; M46-L78 HydrophobicContact SD-CD2 4.13Å; F51-L78 HydrophobicContact CD2-CD2 3.6Å; F51-L78 HydrophobicContact CE2-CD2 3.73Å; L78-L80 HydrophobicContact CD2-CD2 3.79Å; L78-L80 HydrophobicContact CD2-CG 4.45Å; L78-L80 HydrophobicContact CG-CD2 4.35Å
79L95.5Very high90.9Very high1 Ų175.8 Ų75.81%0.00538%0.375CS..EExtended strand (participates in β ladder)trans-113128.3169.7-60.3173.7000109.6G28 V30 I43 P44 I45 M46 C76G28-L79 CarbonylContact O-C 3.51Å; G28-L79 WeakPolarHBondContact O-CA 3.36Å; V30-L79 HydrophobicContact CG1-CB 4.16Å; V30-L79 HydrophobicContact CG1-CD1 3.83Å; V30-L79 HydrophobicContact CG1-CD2 4.14Å; V30-L79 HydrophobicContact CG1-CG 4.24Å; V30-L79 HydrophobicContact CG2-CB 3.99Å; I43-L79 HydrophobicContact CB-CD1 4.18Å; I43-L79 HydrophobicContact CB-CG 4.27Å; I43-L79 HydrophobicContact CG2-CD1 4.24Å; I43-L79 HydrophobicContact CG2-CG 3.78Å; P44-L79 PolarHBondContact O-N 3.5Å; I45-L79 CarbonylContact C-O 3.55Å; I45-L79 VanDerWaalsContact CA-O 3.32Å; I45-L79 WeakPolarHBondContact CA-O 3.15Å; I45-L79 HydrophobicContact CG1-CB 4.12Å; I45-L79 HydrophobicContact CG1-CD1 4.3Å; M46-L79 PolarHBondContact N-O 3.22Å; C76-L79 HydrophobicContact CB-CD2 4.01Å
80L94.9Very high90.2Very high1 Ų179.5 Ų79.51%0.00540%0.398CS..EExtended strand (participates in β ladder)trans-97.8137.8176.9-65.1179000110.4A27 G28 T29 V30 M46 F51 L59 L78 L104 I108A27-L80 HydrophobicContact CB-CD1 4.13Å; A27-L80 HydrophobicContact CB-CG 4.35Å; G28-L80 PolarHBondContact O-N 2.9Å; T29-L80 WeakPolarHBondContact CA-O 3.47Å; V30-L80 PolarHBondContact N-O 3.03Å; M46-L80 HydrophobicContact CB-CD2 4.3Å; M46-L80 HydrophobicContact CG-CD2 4.48Å; M46-L80 WeakPolarHBondContact O-CA 3.25Å; F51-L80 HydrophobicContact CB-CD2 3.83Å; F51-L80 HydrophobicContact CD2-CD1 4.44Å; F51-L80 HydrophobicContact CD2-CD2 3.8Å; F51-L80 HydrophobicContact CG-CD1 4.27Å; F51-L80 HydrophobicContact CG-CD2 3.93Å; L59-L80 HydrophobicContact CD1-CD1 3.99Å; L78-L80 HydrophobicContact CD2-CD2 3.79Å; L78-L80 HydrophobicContact CD2-CG 4.45Å; L78-L80 HydrophobicContact CG-CD2 4.35Å; L80-L104 HydrophobicContact CB-CD2 4.15Å; L80-L104 HydrophobicContact CD1-CD2 4.46Å; L80-I108 HydrophobicContact CD1-CD1 4.07Å
81T93.8Very high89.4Confident5 Ų575.1 Ų75.13%0.03140%0.398CS..EExtended strand (participates in β ladder)trans-128149.5174.5-169.70000110.9V30 G31 I45 M46 C48 L83V30-T81 PolarHBondContact O-OG1 3.24Å; G31-T81 PolarHBondContact O-OG1 3.45Å; I45-T81 HydrophobicContact CG2-CG2 3.77Å; M46-T81 PolarHBondContact O-N 3.32Å; C48-T81 PolarHBondContact N-O 3.31Å; T81-L83 HydrophobicContact CG2-CD2 3.8Å; T81-L83 HydrophobicContact CG2-CG 4.16Å
82I93Very high88.7Confident44 Ų4473.4 Ų73.423%0.22639%0.392CS..  trans-97.4104.5170.3-59.5168.2000106.4L95 A100 I103 L104I82-L95 HydrophobicContact CD1-CD1 4.08Å; I82-L95 HydrophobicContact CG2-CD1 4.33Å; I82-A100 HydrophobicContact CD1-CB 3.95Å; I82-I103 HydrophobicContact CD1-CB 3.88Å; I82-I103 HydrophobicContact CD1-CD1 4.13Å; I82-I103 HydrophobicContact CD1-CG2 3.81Å; I82-I103 HydrophobicContact CG1-CG2 4.09Å; I82-I103 HydrophobicContact CG2-CG2 4.25Å; I82-L104 HydrophobicContact CD1-CG 4.18Å; I82-L104 HydrophobicContact CG1-CD2 4.19Å; I82-L104 HydrophobicContact CG1-CG 4.29Å
83L90.4Very high88Confident94 Ų9479.8 Ų79.849%0.49242%0.421SS..  trans-72129.7179.4-66.4178.9000110.7T81T81-L83 HydrophobicContact CG2-CD2 3.8Å; T81-L83 HydrophobicContact CG2-CG 4.16Å
84P88.2Confident87.5Confident48 Ų4881 Ų8131%0.31243%0.434SS..  trans-72.5142.3174.934.2-37.2000109.5C32 R86 L88C32-P84 VanDerWaalsContact SG-CD 3.56Å; P84-R86 WeakPolarHBondContact CB-O 3.45Å; P84-R86 PolarHBondContact O-N 2.9Å; P84-L88 HydrophobicContact CB-CD1 4.14Å; P84-L88 HydrophobicContact CB-CD2 3.92Å; P84-L88 HydrophobicContact CB-CG 3.82Å; P84-L88 HydrophobicContact CG-CD1 3.87Å; P84-L88 HydrophobicContact CG-CD2 4.49Å; P84-L88 HydrophobicContact CG-CG 3.86Å
85R85.9Confident87.3Confident249 Ų24981.4 Ų81.494%0.9443%0.426SS*.SBendtrans-71.8-17178.2-167.8178.9-120.3161.70.1113.1
86R85.1Confident87.2Confident212 Ų21283.5 Ų83.580%0.844%0.436SS*.SBendtrans-136.3162.3-179.1-60.6-179.9-176.8161.70.4107.8P84 L88P84-R86 WeakPolarHBondContact CB-O 3.45Å; P84-R86 PolarHBondContact O-N 2.9Å; R86-L88 PolarHBondContact O-N 3.02Å
87Q81.4Confident87Confident193 Ų19385.7 Ų85.790%0.90245%0.449SS*.PPolyproline II helixtrans-57.2133.5169.9-75.5179.910.600109.9
88L80.6Confident86.9Confident70 Ų7086.4 Ų86.437%0.36646%0.461SS..PPolyproline II helixtrans-73.5139.1175.7-69165000108.8C32 P84 R86 L92C32-L88 HydrophobicContact CB-CD1 4.02Å; P84-L88 HydrophobicContact CB-CD1 4.14Å; P84-L88 HydrophobicContact CB-CD2 3.92Å; P84-L88 HydrophobicContact CB-CG 3.82Å; P84-L88 HydrophobicContact CG-CD1 3.87Å; P84-L88 HydrophobicContact CG-CD2 4.49Å; P84-L88 HydrophobicContact CG-CG 3.86Å; R86-L88 PolarHBondContact O-N 3.02Å; L88-L92 WeakPolarHBondContact CB-O 3.23Å; L88-L92 WeakPolarHBondContact CD1-O 3.37Å; L88-L92 HydrophobicContact CD2-CD2 3.77Å; L88-L92 HydrophobicContact CD2-CG 4.15Å
89P81.1Confident86.9Confident82 Ų8289 Ų8953%0.53248%0.477SS..PPolyproline II helixtrans-56149.1169.7-22.833.1000111G91 L92P89-G91 PolarHBondContact O-N 2.98Å; P89-L92 PolarHBondContact O-N 3.18Å
90P78.3Confident86.9Confident141 Ų14189.8 Ų89.892%0.91648%0.484SS*.THydrogen-bonded Turntrans-53131172.7-23.532.7000110.9
91G75.5Confident86.9Confident77 Ų7790.4 Ų90.479%0.79449%0.49SS*.THydrogen-bonded Turntrans86.2-0.8-178.300000115.7P89P89-G91 PolarHBondContact O-N 2.98Å
92L78.3Confident87Confident85 Ų8592.1 Ų92.145%0.44551%0.508SS..  trans-102.195.7167.7-175.164.4000110.1L88 P89L88-L92 WeakPolarHBondContact CB-O 3.23Å; L88-L92 WeakPolarHBondContact CD1-O 3.37Å; L88-L92 HydrophobicContact CD2-CD2 3.77Å; L88-L92 HydrophobicContact CD2-CG 4.15Å; P89-L92 PolarHBondContact O-N 3.18Å
93E77.8Confident87.1Confident147 Ų14793.1 Ų93.169%0.68751%0.513SS*.  trans-100.6-24.2-172.4-62.8-178.5176.100113.3
94S84.2Confident87.3Confident67 Ų6788.8 Ų88.847%0.46949%0.491SS..  trans-152.4166.2-17663.80000113.3
95L87.8Confident87.6Confident85 Ų8590.8 Ų90.845%0.44550%0.498SS..  trans-90.8158.3168.3-62.4173.9000109.4I82 V97 V99 A100 I103I82-L95 HydrophobicContact CD1-CD1 4.08Å; I82-L95 HydrophobicContact CG2-CD1 4.33Å; L95-V97 PolarHBondContact O-N 3.42Å; L95-V99 HydrophobicContact CD1-CG1 4.46Å; L95-A100 HydrophobicContact CB-CB 4.46Å; L95-I103 HydrophobicContact CD1-CD1 3.74Å
96N92.1Very high87.9Confident59 Ų5985.4 Ų85.432%0.31648%0.483SS..  trans-54139.7167.4176.8-94000110.8E64 S98 V99 A100E64-N96 PolarHBondContact OE1-ND2 2.9Å; N96-S98 VanDerWaalsContact C-N 3.25Å; N96-S98 PolarHBondContact O-N 3.29Å; N96-S98 WeakPolarHBondContact OD1-CB 3.15Å; N96-S98 PolarHBondContact OD1-N 3.02Å; N96-S98 PolarHBondContact OD1-OG 3.49Å; N96-V99 HydrophobicContact CB-CB 4.42Å; N96-V99 HydrophobicContact CB-CG2 4.09Å; N96-V99 WeakPolarHBondContact O-CB 3.36Å; N96-V99 PolarHBondContact O-N 2.87Å; N96-A100 PolarHBondContact O-N 3.45Å
97V93.2Very high88.3Confident54 Ų5475.8 Ų75.833%0.32745%0.449SS..Hα-helixtrans-56.5-37.1-174.866.10000113L61 G62 L95 A100 A101L61-V97 HydrophobicContact CB-CG2 4.33Å; G62-V97 WeakPolarHBondContact O-CG2 3.42Å; L95-V97 PolarHBondContact O-N 3.42Å; V97-A100 PolarHBondContact O-N 2.89Å; V97-A101 VanDerWaalsContact O-CB 3.28Å; V97-A101 WeakPolarHBondContact O-CB 3.43Å; V97-A101 PolarHBondContact O-N 2.88Å
98S93.7Very high88.7Confident83 Ų8367 Ų6758%0.5841%0.408SS*.Hα-helixtrans-69.5-37.6178.773.30000112.2N96 G102N96-S98 VanDerWaalsContact C-N 3.25Å; N96-S98 PolarHBondContact O-N 3.29Å; N96-S98 WeakPolarHBondContact OD1-CB 3.15Å; N96-S98 PolarHBondContact OD1-N 3.02Å; N96-S98 PolarHBondContact OD1-OG 3.49Å; S98-G102 PolarHBondContact O-N 3.4Å
99V94.7Very high89.1Confident71 Ų7166.7 Ų66.743%0.4341%0.411SS..Hα-helixtrans-68.1-45.4176.1178.30000109.9L95 N96 A101 G102 I103L95-V99 HydrophobicContact CD1-CG1 4.46Å; N96-V99 HydrophobicContact CB-CB 4.42Å; N96-V99 HydrophobicContact CB-CG2 4.09Å; N96-V99 WeakPolarHBondContact O-CB 3.36Å; N96-V99 PolarHBondContact O-N 2.87Å; V99-A101 PolarHBondContact O-N 2.87Å; V99-G102 PolarHBondContact O-N 3.31Å; V99-I103 HydrophobicContact CG1-CD1 3.94Å; V99-I103 WeakPolarHBondContact O-CG1 3.4Å; V99-I103 PolarHBondContact O-N 3.06Å
100A94.2Very high89.4Confident18 Ų1866.7 Ų66.715%0.14941%0.413CS..Hα-helixtrans-59.8-46.217600000111.4I82 L95 N96 V97 G102 I103 L104I82-A100 HydrophobicContact CD1-CB 3.95Å; L95-A100 HydrophobicContact CB-CB 4.46Å; N96-A100 PolarHBondContact O-N 3.45Å; V97-A100 PolarHBondContact O-N 2.89Å; A100-G102 VanDerWaalsContact C-N 3.34Å; A100-G102 PolarHBondContact O-N 3.13Å; A100-I103 PolarHBondContact O-N 3.49Å; A100-L104 WeakPolarHBondContact O-CB 3.33Å; A100-L104 WeakPolarHBondContact O-CD1 3.46Å; A100-L104 VanDerWaalsContact O-CG 3.23Å; A100-L104 WeakPolarHBondContact O-CG 3.31Å; A100-L104 PolarHBondContact O-N 3.47Å
101A95.2Very high89.3Confident15 Ų1562.5 Ų62.512%0.12438%0.381CS..Hα-helixtrans-57-46.7175.900000111.8L61 V97 V99 I103 L104 L105L61-A101 HydrophobicContact CD1-CB 3.57Å; L61-A101 HydrophobicContact CD2-CB 4.32Å; V97-A101 VanDerWaalsContact O-CB 3.28Å; V97-A101 WeakPolarHBondContact O-CB 3.43Å; V97-A101 PolarHBondContact O-N 2.88Å; V99-A101 PolarHBondContact O-N 2.87Å; A101-I103 PolarHBondContact O-N 3.49Å; A101-L104 PolarHBondContact O-N 2.95Å; A101-L105 VanDerWaalsContact O-CB 3.29Å; A101-L105 WeakPolarHBondContact O-CB 3.32Å; A101-L105 VanDerWaalsContact O-CG 3.23Å; A101-L105 WeakPolarHBondContact O-CG 3.36Å; A101-L105 PolarHBondContact O-N 2.88Å
102G95.4Very high89.1Confident41 Ų4166 Ų6642%0.42337%0.37SS..Hα-helixtrans-59.9-45.9177.500000112.9S98 V99 A100 H106S98-G102 PolarHBondContact O-N 3.4Å; V99-G102 PolarHBondContact O-N 3.31Å; A100-G102 VanDerWaalsContact C-N 3.34Å; A100-G102 PolarHBondContact O-N 3.13Å; G102-H106 WeakPolarHBondContact O-CB 3.3Å; G102-H106 PolarHBondContact O-N 2.9Å
103I95.4Very high88.3Confident65 Ų6570 Ų7033%0.33338%0.384SS..Hα-helixtrans-63.6-47.3178-66.8165.2000110.9I82 L95 V99 A100 A101 H106 S107I82-I103 HydrophobicContact CD1-CB 3.88Å; I82-I103 HydrophobicContact CD1-CD1 4.13Å; I82-I103 HydrophobicContact CD1-CG2 3.81Å; I82-I103 HydrophobicContact CG1-CG2 4.09Å; I82-I103 HydrophobicContact CG2-CG2 4.25Å; L95-I103 HydrophobicContact CD1-CD1 3.74Å; V99-I103 HydrophobicContact CG1-CD1 3.94Å; V99-I103 WeakPolarHBondContact O-CG1 3.4Å; V99-I103 PolarHBondContact O-N 3.06Å; A100-I103 PolarHBondContact O-N 3.49Å; A101-I103 PolarHBondContact O-N 3.49Å; I103-H106 PolarHBondContact O-N 2.89Å; I103-S107 WeakPolarHBondContact O-CB 3.36Å; I103-S107 PolarHBondContact O-N 3.44Å
104L95.1Very high87.2Confident3 Ų366.4 Ų66.42%0.01639%0.387CS..Hα-helixtrans-62.7-51.7-178.9-73164.7000111.2T29 C48 L59 L61 L80 I82 A100 A101 H106 S107 I108T29-L104 HydrophobicContact CG2-CD1 3.38Å; C48-L104 HydrophobicContact CB-CD2 3.5Å; C48-L104 VanDerWaalsContact CB-CD2 3.5Å; L59-L104 HydrophobicContact CD2-CB 4.08Å; L61-L104 HydrophobicContact CD2-CD1 3.89Å; L80-L104 HydrophobicContact CB-CD2 4.15Å; L80-L104 HydrophobicContact CD1-CD2 4.46Å; I82-L104 HydrophobicContact CD1-CG 4.18Å; I82-L104 HydrophobicContact CG1-CD2 4.19Å; I82-L104 HydrophobicContact CG1-CG 4.29Å; A100-L104 WeakPolarHBondContact O-CB 3.33Å; A100-L104 WeakPolarHBondContact O-CD1 3.46Å; A100-L104 VanDerWaalsContact O-CG 3.23Å; A100-L104 WeakPolarHBondContact O-CG 3.31Å; A100-L104 PolarHBondContact O-N 3.47Å; A101-L104 PolarHBondContact O-N 2.95Å; L104-H106 VanDerWaalsContact C-N 3.32Å; L104-H106 PolarHBondContact O-N 3.23Å; L104-S107 PolarHBondContact O-N 2.87Å; L104-I108 HydrophobicContact CB-CD1 4.47Å; L104-I108 WeakPolarHBondContact O-CB 2.88Å; L104-I108 WeakPolarHBondContact O-CD1 3.49Å; L104-I108 WeakPolarHBondContact O-CG1 3.22Å; L104-I108 PolarHBondContact O-N 2.75Å
105L94Very high85.8Confident90 Ų9066.1 Ų66.147%0.47138%0.377SS..Hα-helixtrans-60-43.8178.7-70.9172000111L59 A101 S107 I108 C109L59-L105 HydrophobicContact CD2-CD2 4.03Å; L59-L105 HydrophobicContact CD2-CG 4.39Å; A101-L105 VanDerWaalsContact O-CB 3.29Å; A101-L105 WeakPolarHBondContact O-CB 3.32Å; A101-L105 VanDerWaalsContact O-CG 3.23Å; A101-L105 WeakPolarHBondContact O-CG 3.36Å; A101-L105 PolarHBondContact O-N 2.88Å; L105-S107 PolarHBondContact O-N 3.03Å; L105-I108 PolarHBondContact O-N 3.47Å; L105-C109 WeakPolarHBondContact O-CB 3.35Å; L105-C109 PolarHBondContact O-N 2.72Å; L105-C109 PolarHBondContact O-SG 3.37Å
106H93.9Very high84.1Confident135 Ų13565.1 Ų65.163%0.62538%0.376SS*.Hα-helixtrans-61-46.2176.1-178.269.1000112G102 I103 L104 S110G102-H106 WeakPolarHBondContact O-CB 3.3Å; G102-H106 PolarHBondContact O-N 2.9Å; I103-H106 PolarHBondContact O-N 2.89Å; L104-H106 VanDerWaalsContact C-N 3.32Å; L104-H106 PolarHBondContact O-N 3.23Å; H106-S110 PolarHBondContact CE1-OG 2.87Å; H106-S110 WeakPolarHBondContact O-CB 3.32Å; H106-S110 PolarHBondContact O-N 3.02Å; H106-S110 PolarHBondContact O-OG 3.44Å
107S92.5Very high82.2Confident11 Ų1167 Ų678%0.07739%0.389CS..Hα-helixtrans-61.6-48.3179.5-1680000111.8C48 I103 L104 L105 Q111C48-S107 PolarHBondContact O-OG 3.3Å; I103-S107 WeakPolarHBondContact O-CB 3.36Å; I103-S107 PolarHBondContact O-N 3.44Å; L104-S107 PolarHBondContact O-N 2.87Å; L105-S107 PolarHBondContact O-N 3.03Å; S107-Q111 VanDerWaalsContact O-CG 3.3Å; S107-Q111 WeakPolarHBondContact O-CG 3.34Å; S107-Q111 PolarHBondContact O-N 3.4Å; S107-Q111 PolarHBondContact O-NE2 3.24Å; S107-Q111 PolarHBondContact OG-NE2 3.31Å
108I90Very high80.3Confident9 Ų972.4 Ų72.45%0.04641%0.411CS..Hα-helixtrans-65.4-48.5-178.6-66.4166000110.4F51 W53 L59 L80 L104 L105 S110 Q111F51-I108 HydrophobicContact CD1-CB 4.48Å; F51-I108 HydrophobicContact CD1-CD1 4.43Å; F51-I108 HydrophobicContact CD1-CG1 3.73Å; F51-I108 HydrophobicContact CD1-CG2 4.32Å; F51-I108 HydrophobicContact CE1-CG1 4.09Å; F51-I108 HydrophobicContact CE1-CG2 4.03Å; W53-I108 HydrophobicContact CB-CG2 4.07Å; W53-I108 HydrophobicContact CD2-CG2 3.65Å; W53-I108 HydrophobicContact CE3-CG2 3.5Å; W53-I108 HydrophobicContact CG-CG2 3.93Å; W53-I108 HydrophobicContact CZ3-CG2 4.1Å; L59-I108 HydrophobicContact CD1-CD1 4.17Å; L59-I108 HydrophobicContact CD2-CD1 4.05Å; L80-I108 HydrophobicContact CD1-CD1 4.07Å; L104-I108 HydrophobicContact CB-CD1 4.47Å; L104-I108 WeakPolarHBondContact O-CB 2.88Å; L104-I108 WeakPolarHBondContact O-CD1 3.49Å; L104-I108 WeakPolarHBondContact O-CG1 3.22Å; L104-I108 PolarHBondContact O-N 2.75Å; L105-I108 PolarHBondContact O-N 3.47Å; I108-S110 PolarHBondContact O-N 2.92Å; I108-Q111 PolarHBondContact O-N 2.99Å
109C88.7Confident78.2Confident63 Ų6371 Ų7143%0.42641%0.41SS..Hα-helixtrans-67.6-35.3-178.4-69.70000112.9W53 L105 Q111 R112W53-C109 HydrophobicContact CZ3-CB 4.4Å; L105-C109 WeakPolarHBondContact O-CB 3.35Å; L105-C109 PolarHBondContact O-N 2.72Å; L105-C109 PolarHBondContact O-SG 3.37Å; C109-Q111 PolarHBondContact O-N 2.93Å; C109-R112 VanDerWaalsContact O-CB 3.25Å; C109-R112 WeakPolarHBondContact O-CB 3.48Å; C109-R112 PolarHBondContact O-N 3.05Å
110S86.7Confident76Confident82 Ų8272.6 Ų72.657%0.57341%0.413SS*.Hα-helixtrans-69.1-20.2179.2-59.70000112.9H106 I108H106-S110 PolarHBondContact CE1-OG 2.87Å; H106-S110 WeakPolarHBondContact O-CB 3.32Å; H106-S110 PolarHBondContact O-N 3.02Å; H106-S110 PolarHBondContact O-OG 3.44Å; I108-S110 PolarHBondContact O-N 2.92Å
111Q77.8Confident74Confident53 Ų5378.8 Ų78.825%0.24843%0.432CS..THydrogen-bonded Turntrans-94.72.1178.2-66178.164.700113C48 L49 F51 S107 I108 C109 K113C48-Q111 PolarHBondContact O-NE2 3.34Å; L49-Q111 PolarHBondContact O-OE1 2.82Å; F51-Q111 PolarHBondContact O-OE1 2.88Å; S107-Q111 VanDerWaalsContact O-CG 3.3Å; S107-Q111 WeakPolarHBondContact O-CG 3.34Å; S107-Q111 PolarHBondContact O-N 3.4Å; S107-Q111 PolarHBondContact O-NE2 3.24Å; S107-Q111 PolarHBondContact OG-NE2 3.31Å; I108-Q111 PolarHBondContact O-N 2.99Å; C109-Q111 PolarHBondContact O-N 2.93Å; Q111-K113 PolarHBondContact O-N 2.94Å
112R71.3Confident71.7Confident149 Ų14987.2 Ų87.256%0.56246%0.461SS*.  trans-67.2105.6-175.9-165.317378.5170.23.8111W53 C109 F115W53-R112 HydrophobicContact CD2-CG 4.48Å; W53-R112 HydrophobicContact CE3-CB 3.99Å; W53-R112 HydrophobicContact CE3-CG 3.93Å; W53-R112 HydrophobicContact CZ3-CG 4.35Å; C109-R112 VanDerWaalsContact O-CB 3.25Å; C109-R112 WeakPolarHBondContact O-CB 3.48Å; C109-R112 PolarHBondContact O-N 3.05Å; R112-F115 HydrophobicContact CG-CD2 3.97Å; R112-F115 HydrophobicContact CG-CE2 4.17Å
113K60.6Low69.3Low169 Ų16992.4 Ų92.474%0.73547%0.474SS*.PPolyproline II helixtrans-74.2125.3156.9-66.4177.1-177.1171.10106.3Q111 F115Q111-K113 PolarHBondContact O-N 2.94Å; K113-F115 PolarHBondContact O-N 3.44Å
114G55.5Low67Low72 Ų7296.4 Ų96.474%0.74250%0.495SS*.PPolyproline II helixtrans-47.4123.5-16600000113.5
115F55.1Low64.9Low62 Ų62103.7 Ų103.727%0.27253%0.533SS..PPolyproline II helixtrans-83139.2166.2-72.7-80.2000109.4W53 E54 R55 R112 K113 T117W53-F115 HydrophobicContact CB-CE2 4.46Å; W53-F115 AromaticContact CD1-CE2 3.74Å; W53-F115 AromaticContact CD1-CZ 3.91Å; W53-F115 HydrophobicContact CD2-CE2 4.1Å; W53-F115 AromaticContact CG-CE2 3.85Å; W53-F115 HydrophobicContact CG-CE2 3.85Å; W53-F115 HydrophobicContact CG-CZ 4.34Å; W53-F115 AromaticContact NE1-CE2 3.92Å; W53-F115 WeakPolarHBondContact O-CE2 3.44Å; W53-F115 WeakPolarHBondContact O-CZ 3.48Å; E54-F115 WeakPolarHBondContact O-CE1 3.49Å; R55-F115 VanDerWaalsContact N-CZ 3.27Å; R112-F115 HydrophobicContact CG-CD2 3.97Å; R112-F115 HydrophobicContact CG-CE2 4.17Å; K113-F115 PolarHBondContact O-N 3.44Å; F115-T117 PolarHBondContact O-N 2.65Å; F115-T117 VanDerWaalsContact O-N 3.17Å
116P50.9Low62.6Low64 Ų64105.9 Ų105.942%0.41654%0.541SS..PPolyproline II helixtrans-63.3122.3166.325-29.3000108.5E120P116-E120 WeakPolarHBondContact CA-OE2 3.35Å; P116-E120 HydrophobicContact CB-CB 3.93Å; P116-E120 WeakPolarHBondContact CB-OE2 3.33Å
117T52.2Low60.1Low98 Ų98105.7 Ų105.760%0.60155%0.545SS*.PPolyproline II helixtrans-67.7159.8178.447.80000109.7F115 G119 E120 R121F115-T117 PolarHBondContact O-N 2.65Å; F115-T117 VanDerWaalsContact O-N 3.17Å; T117-G119 PolarHBondContact O-N 3.05Å; T117-E120 PolarHBondContact N-OE2 2.94Å; T117-E120 PolarHBondContact O-N 2.86Å; T117-R121 PolarHBondContact O-N 3.13Å
118E54.1Low57.7Low167 Ų167110.8 Ų110.878%0.7858%0.578SS**Hα-helixtrans-53.9-19.3178.9-88.5-176.914500113.9R122E118-R122 PolarHBondContact O-N 2.83Å
119G49.7Very low55.5Low54 Ų54118 Ų11856%0.55761%0.611SS**Hα-helixtrans-63.3-36.7169.600000114.1T117T117-G119 PolarHBondContact O-N 3.05Å
120E48.7Very low53Low105 Ų105122.9 Ų122.949%0.49163%0.628SS.*Hα-helixtrans-82.2-28.8179.1-73.4164.7124.800112.3P116 T117 R122 Q123 L124P116-E120 WeakPolarHBondContact CA-OE2 3.35Å; P116-E120 HydrophobicContact CB-CB 3.93Å; P116-E120 WeakPolarHBondContact CB-OE2 3.33Å; T117-E120 PolarHBondContact N-OE2 2.94Å; T117-E120 PolarHBondContact O-N 2.86Å; E120-R122 VanDerWaalsContact C-N 3.29Å; E120-R122 PolarHBondContact O-N 2.89Å; E120-Q123 WeakPolarHBondContact O-CB 3.41Å; E120-Q123 PolarHBondContact O-N 2.91Å; E120-Q123 VanDerWaalsContact O-N 3.12Å; E120-L124 PolarHBondContact O-N 3.34Å
121R50.8Low50.8Low148 Ų148124 Ų12456%0.55863%0.633SS**Hα-helixtrans-64.8-31.3172.9-87.2-171.6157.789.3-0.9113T117 Q123T117-R121 PolarHBondContact O-N 3.13Å; R121-Q123 VanDerWaalsContact C-N 3.31Å
122R48.4Very low48.9Very low192 Ų192127.1 Ų127.173%0.72566%0.661SS**Hα-helixtrans-73.4-23.2173.2-72.1-172.2178.6-175.11.5113.2E118 E120 Q126E118-R122 PolarHBondContact O-N 2.83Å; E120-R122 VanDerWaalsContact C-N 3.29Å; E120-R122 PolarHBondContact O-N 2.89Å; R122-Q126 PolarHBondContact O-NE2 3.32Å
123Q44.7Very low47.2Very low149 Ų149124.6 Ų124.670%0.69667%0.672SS**Hα-helixtrans-79.6-31.9177.3-156.575.842.900112E120 R121E120-Q123 WeakPolarHBondContact O-CB 3.41Å; E120-Q123 PolarHBondContact O-N 2.91Å; E120-Q123 VanDerWaalsContact O-N 3.12Å; R121-Q123 VanDerWaalsContact C-N 3.31Å
124L46.9Very low46Very low150 Ų150128 Ų12879%0.78568%0.68SS**THydrogen-bonded Turntrans-79.2-12.8179.9-93.4157.7000115.1E120E120-L124 PolarHBondContact O-N 3.34Å
125L50.8Low45.2Very low155 Ų155129.9 Ų129.981%0.81268%0.682SS**THydrogen-bonded Turntrans-104.14.3178.3-73.5165.7000113.4
126Q45.8Very low44.5Very low136 Ų136135.9 Ų135.964%0.63671%0.711SS**  trans-112.373.8174.3-69.5-179.849.600110R122R122-Q126 PolarHBondContact O-NE2 3.32Å
127D41.6Very low43.6Very low131 Ų131136.5 Ų136.570%0.70173%0.729SS**  trans-144.982.8151.1-136.4-6.3000111
128P40.6Very low42.7Very low119 Ų119140.6 Ų140.677%0.77375%0.746SS**  trans-90.282.7146.824.3-8.9000107.5E130P128-E130 PolarHBondContact O-N 3.3Å
129Q45.5Very low41.8Very low159 Ų159138 Ų13874%0.74375%0.746SS**  trans-72.2113.8156.3-90.8-147.7-97.200108.2
130E36Very low41Very low166 Ų166143.9 Ų143.978%0.77676%0.762SS**  trans162.1151.6136.8-82.6-88.4122.300108.1P128P128-E130 PolarHBondContact O-N 3.3Å
131P40.5Very low40.3Very low106 Ų106143.3 Ų143.369%0.68878%0.775SS**  cis-133145.59.234.8-15.6000114.1A133P131-A133 PolarHBondContact O-N 3.33Å
132S37Very low39.6Very low118 Ų118145.6 Ų145.683%0.82579%0.792SS**  trans-87.799.6165.4177.40000109.7R134S132-R134 PolarHBondContact O-N 3.17Å
133A36.8Very low38.9Very low96 Ų96145.2 Ų145.279%0.79380%0.798SS**  trans-58.8123.8169.200000111P131P131-A133 PolarHBondContact O-N 3.33Å
134R34.5Very low39Very low240 Ų240144.1 Ų144.191%0.90680%0.804SS**  trans-131.4111.4153.3-146.7174.6-173.9-177.20.1109S132S132-R134 PolarHBondContact O-N 3.17Å
135S39Very low38.3Very low112 Ų112140.8 Ų140.878%0.78381%0.805SS**  trans-62.5132.1173.5-173.70000109.9
136E40.2Very low37.5Very low188 Ų188141.8 Ų141.888%0.87981%0.81SS**  trans-168.4121.9146.4-106162-160.100110.4
137G32.2Very low36.9Very low78 Ų78140.7 Ų140.780%0.80482%0.818SS**  trans99.487.1150.200000118.8
138L32.6Very low36.7Very low184 Ų184139.4 Ų139.496%0.96382%0.819SS**  trans-62.3132.2153-76.5125000110.8
139S35.2Very low36.2Very low111 Ų111137.4 Ų137.478%0.77682%0.82SS**  trans-173.1110.9130.3-173.20000113.7
140M32.5Very low36.3Very low179 Ų179135.8 Ų135.888%0.88282%0.824SS**  trans24.1130138.5-60.6-63.8-134.200121.8
141A34.9Very low36.6Very low93 Ų93137.4 Ų137.477%0.76983%0.831SS**  trans-55.5141.4167.800000115.1
142Q35.4Very low36.7Very low195 Ų195141.2 Ų141.291%0.91184%0.837SS**  trans-149111.9147.4-63.9-168.4-0.400110.4
143H34.4Very low37Very low184 Ų184144.8 Ų144.885%0.85284%0.84SS**  trans-80.1174.2145.9-67.9-74.8000108
144P47.1Very low37.4Very low127 Ų127150.5 Ų150.583%0.82584%0.841SS**  cis-136.2174.65.534.2-12.4000114.8
145G32.2Very low37.8Very low79 Ų79148 Ų14881%0.81484%0.84SS**  trans-163.4112.3168.600000112.4
146L34.1Very low37.7Very low176 Ų176149.3 Ų149.392%0.92184%0.838SS**  trans-87.1163.4-175.2-82149.4000113.5
147S33Very low37.7Very low114 Ų114149 Ų14980%0.79784%0.837SS**  trans83.9139.2158-151.40000115
148S36.3Very low38Very low104 Ų104152.6 Ų152.673%0.72787%0.874SS**  cis-171.9146.77.116.60000105.8
149G31.5Very low38.2Very low76 Ų76151.1 Ų151.178%0.78487%0.87SS**  trans-76.6-146.7175.100000112.9
150P47.6Very low38.4Very low126 Ų126153.2 Ų153.282%0.81888%0.875SS**  cis-118.3162.4-45.537.3-24.8000110.5
151E41.2Very low38.7Very low200 Ų200151.7 Ų151.794%0.93587%0.874SS**  trans-151.8136.1160.6-116.9164.915900113
152K42.1Very low39Very low186 Ų186155.2 Ų155.281%0.80988%0.881SS**  trans-128.7112.1-169172.1-162.6-170.1-173.30103.9
153E45.2Very low39.2Very low192 Ų192152.7 Ų152.790%0.89788%0.879SS**  trans-149.8136.2158.3-133.716212000112.3
154R43.9Very low39.5Very low216 Ų216150.6 Ų150.682%0.81588%0.881SS**  trans-81.3179.7176.8-70.9172178.1-114.21.9109.3
155Q43.7Very low39Very low188 Ų188152.3 Ų152.388%0.87989%0.885SS**  trans91.8131.2162.2-62.6-177.8-2.900112.6
156N36.2Very low39.5Very low140 Ų140157.9 Ų157.975%0.74989%0.89SS**  cis-167.9175.25.8-170.124.4000107.9
157E41.3Very low39.9Very low180 Ų180156.4 Ų156.484%0.84189%0.887SS**  trans94.5113.1156.7-50.7-162.312400118.7
158G37.2Very low40.6Very low155 Ų155160.3 Ų160.3100%1.59890%0.896SS**  trans150.80171.100000112.6

Retrieved 158 of 158 residues in 304.7 ms (Link to these results)