A0A087XMN2_POEFO Loading...

Homer scaffold protein 1

AlphaFold DB , UniProt , Accession A0A087XMN2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 374 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
1M46.1Very low86.5Confident246 Ų24687.3 Ų87.3100%1.21247%0.465SS*.  0146.70-60-178.1-165.300107.5
2G63.2Low87.5Confident68 Ų6886.3 Ų86.370%0.70146%0.456SS*.PPolyproline II helixtrans-73.2161179.400000112.8Q4G2-Q4 PolarHBondContact O-N 3.47Å
3E76.4Confident88.3Confident82 Ų8279.7 Ų79.738%0.38342%0.421SS..PPolyproline II helixtrans-56.5130.5168.6-65.5177.5168.500109.4F37 D39E3-F37 HydrophobicContact CB-CD1 4.03Å; E3-F37 WeakPolarHBondContact O-CE1 3.46Å; E3-D39 WeakPolarHBondContact OE1-CA 3.47Å
4Q85.8Confident89Confident167 Ų16777.7 Ų77.778%0.7841%0.407SS*.PPolyproline II helixtrans-88.2143.1174.9-68.2-171.9200110.4G2G2-Q4 PolarHBondContact O-N 3.47Å
5P93.3Very high89.5Confident62 Ų6275.7 Ų75.740%0.40339%0.394SS..PPolyproline II helixtrans-72.8134.3176.329.5-33.4000111S8 Y36 F37P5-S8 WeakPolarHBondContact CB-OG 3.5Å; P5-Y36 CarbonylContact C-O 3.58Å; P5-Y36 WeakPolarHBondContact CA-O 3.49Å; P5-F37 HydrophobicContact CB-CD1 4.29Å; P5-F37 HydrophobicContact CB-CE1 3.79Å; P5-F37 HydrophobicContact CB-CE2 4.24Å; P5-F37 HydrophobicContact CB-CZ 3.77Å; P5-F37 HydrophobicContact CG-CE1 4.32Å; P5-F37 HydrophobicContact CG-CZ 4.37Å
6I95.7Very high89.8Confident85 Ų8572.6 Ų72.644%0.43638%0.378SS..SBendtrans-75.1-36.5176.7-38.4171.3000110.8Y36 F38 Y45 F106I6-Y36 PolarHBondContact N-O 3.11Å; I6-F38 HydrophobicContact CD1-CB 3.76Å; I6-F38 HydrophobicContact CG1-CB 4.46Å; I6-Y45 HydrophobicContact CD1-CD1 3.78Å; I6-Y45 HydrophobicContact CD1-CE1 3.69Å; I6-F106 HydrophobicContact CB-CE1 4.32Å; I6-F106 HydrophobicContact CB-CZ 3.92Å; I6-F106 HydrophobicContact CD1-CD1 4.32Å; I6-F106 HydrophobicContact CD1-CE1 3.72Å; I6-F106 HydrophobicContact CD1-CZ 4.06Å; I6-F106 HydrophobicContact CG2-CE1 3.93Å; I6-F106 HydrophobicContact CG2-CZ 3.72Å
7F97.8Very high89.8Confident41 Ų4170.3 Ų70.318%0.1837%0.366CS..EExtended strand (participates in β ladder)trans-146.7143.4176.9176.8-91.9000108.7T9 S35 Y36 K98 F99 K102 F106F7-T9 HydrophobicContact CE1-CG2 3.88Å; F7-S35 CarbonylContact O-C 3.59Å; F7-S35 WeakPolarHBondContact O-CA 3.29Å; F7-S35 WeakPolarHBondContact O-CB 3.35Å; F7-Y36 HydrophobicContact CB-CD2 4.13Å; F7-Y36 AromaticContact CD1-CD2 3.77Å; F7-Y36 HydrophobicContact CD1-CD2 3.77Å; F7-Y36 HydrophobicContact CD1-CE2 4.05Å; F7-Y36 HydrophobicContact CG-CD2 4.36Å; F7-Y36 PolarHBondContact O-N 3.49Å; F7-K98 HydrophobicContact CE2-CG 4.08Å; F7-K98 HydrophobicContact CZ-CG 4.11Å; F7-F99 HydrophobicContact CE1-CD2 4.38Å; F7-K102 HydrophobicContact CB-CG 4.48Å; F7-K102 HydrophobicContact CD1-CG 4.32Å; F7-K102 HydrophobicContact CD2-CG 3.91Å; F7-K102 HydrophobicContact CE2-CG 4.16Å; F7-K102 HydrophobicContact CG-CG 3.98Å; F7-K102 HydrophobicContact CZ-CG 4.45Å; F7-F106 HydrophobicContact CB-CE2 4.3Å
8S98Very high89.6Confident59 Ų5971.9 Ų71.941%0.41338%0.382SS..EExtended strand (participates in β ladder)trans-137.7141.3176.8-61.40000110.6P5 S35P5-S8 WeakPolarHBondContact CB-OG 3.5Å; S8-S35 VanDerWaalsContact CB-OG 3.3Å; S8-S35 WeakPolarHBondContact CB-OG 3.35Å; S8-S35 PolarHBondContact OG-OG 3.5Å
9T98.2Very high89.4Confident16 Ų1673.4 Ų73.410%0.09840%0.399CS..EExtended strand (participates in β ladder)trans-144.4176.4173.8-1710000110.9F7 T33 V34 F90 F99F7-T9 HydrophobicContact CE1-CG2 3.88Å; T9-T33 CarbonylContact O-C 3.49Å; T9-T33 WeakPolarHBondContact O-CA 3.45Å; T9-V34 PolarHBondContact N-O 3.29Å; T9-V34 PolarHBondContact O-N 2.82Å; T9-F90 HydrophobicContact CG2-CE1 3.89Å; T9-F99 HydrophobicContact CG2-CD2 3.72Å; T9-F99 HydrophobicContact CG2-CE2 4.35Å
10R98.3Very high89.3Confident133 Ų13372.9 Ų72.950%0.50240%0.398SS..EExtended strand (participates in β ladder)trans-118.6124.7-177.6-66.3-76.4-72.9-179.90.4110.6A31 V32 T33R10-A31 PolarHBondContact NH1-O 3.28Å; R10-A31 PolarHBondContact NH2-O 2.6Å; R10-V32 WeakPolarHBondContact CA-O 3.31Å; R10-T33 WeakPolarHBondContact CD-OG1 3.32Å; R10-T33 PolarHBondContact NH1-OG1 3.32Å
11A98.4Very high89.2Confident1 Ų174.3 Ų74.31%0.00840%0.4CS..EExtended strand (participates in β ladder)trans-150.6155.9-179.700000111.8A31 V32 V34 L88 G89 F90A11-A31 CarbonylContact O-C 3.6Å; A11-A31 WeakPolarHBondContact O-CA 3.23Å; A11-V32 PolarHBondContact N-O 2.93Å; A11-V32 WeakPolarHBondContact O-CG2 3.39Å; A11-V32 PolarHBondContact O-N 3.08Å; A11-V34 HydrophobicContact CB-CG2 4.29Å; A11-L88 HydrophobicContact CB-CB 4.12Å; A11-L88 HydrophobicContact CB-CD2 4.09Å; A11-G89 CarbonylContact C-O 3.6Å; A11-G89 WeakPolarHBondContact CA-O 3.35Å; A11-F90 HydrophobicContact CB-CD1 3.89Å; A11-F90 HydrophobicContact CB-CE1 3.87Å; A11-F90 HydrophobicContact CB-CG 4.41Å; A11-F90 HydrophobicContact CB-CZ 4.38Å
12H98.6Very high91.2Very high76 Ų7671.1 Ų71.135%0.35238%0.38SS..EExtended strand (participates in β ladder)trans-79.8132.2164-67.288000108.9F14 A31 L88 G89H12-F14 HydrophobicContact CB-CE2 3.65Å; H12-F14 HydrophobicContact CB-CZ 4.15Å; H12-A31 PolarHBondContact CD2-N 2.94Å; H12-A31 VanDerWaalsContact CD2-N 3.33Å; H12-A31 PolarHBondContact NE2-N 3.28Å; H12-A31 VanDerWaalsContact NE2-N 3.13Å; H12-L88 WeakPolarHBondContact O-CA 3.39Å; H12-G89 PolarHBondContact N-O 3.45Å; H12-G89 PolarHBondContact O-N 2.95Å
13V98.4Very high92.6Very high0 Ų072.4 Ų72.40%037%0.371CS..EExtended strand (participates in β ladder)trans-99133.8-176.7-179.60000110.4T27 S28 V32 V34 I56 I57 L88V13-T27 HydrophobicContact CG1-CG2 4.43Å; V13-T27 PolarHBondContact O-N 3.43Å; V13-S28 PolarHBondContact N-OG 3.02Å; V13-S28 VanDerWaalsContact N-OG 3.11Å; V13-S28 PolarHBondContact O-N 3.35Å; V13-V32 HydrophobicContact CB-CG2 4.45Å; V13-V32 HydrophobicContact CG2-CG2 3.42Å; V13-V32 VanDerWaalsContact CG2-CG2 3.42Å; V13-V34 HydrophobicContact CG2-CG2 4.14Å; V13-I56 HydrophobicContact CB-CD1 4.12Å; V13-I56 HydrophobicContact CG1-CD1 4.44Å; V13-I56 HydrophobicContact CG2-CD1 4.02Å; V13-I57 HydrophobicContact CB-CD1 4.41Å; V13-I57 HydrophobicContact CG1-CD1 3.7Å; V13-I57 HydrophobicContact CG1-CG1 3.74Å; V13-I57 HydrophobicContact CG2-CD1 3.74Å; V13-I57 HydrophobicContact CG2-CG1 4.37Å; V13-L88 HydrophobicContact CB-CD2 4.39Å; V13-L88 HydrophobicContact CG2-CD2 3.75Å
14F98.1Very high93.5Very high52 Ų5272.6 Ų72.623%0.22837%0.368CS..EExtended strand (participates in β ladder)trans-127.7155.5175.4-57.9-98000109.9H12 W24 V25 P26 F74 G87H12-F14 HydrophobicContact CB-CE2 3.65Å; H12-F14 HydrophobicContact CB-CZ 4.15Å; F14-W24 HydrophobicContact CB-CD2 4.42Å; F14-W24 HydrophobicContact CB-CE3 3.65Å; F14-W24 HydrophobicContact CB-CZ3 4.19Å; F14-V25 WeakPolarHBondContact CA-O 3.31Å; F14-P26 HydrophobicContact CD1-CB 4.08Å; F14-P26 HydrophobicContact CE1-CB 3.98Å; F14-F74 HydrophobicContact CB-CE2 4.48Å; F14-F74 HydrophobicContact CB-CZ 4.48Å; F14-F74 AromaticContact CD2-CE2 3.64Å; F14-F74 HydrophobicContact CD2-CE2 3.64Å; F14-F74 HydrophobicContact CD2-CZ 4.42Å; F14-F74 HydrophobicContact CE2-CE2 4.08Å; F14-F74 HydrophobicContact CG-CE2 4.16Å; F14-G87 PolarHBondContact N-O 3.03Å; F14-G87 PolarHBondContact O-N 3.37Å
15Q96.9Very high94Very high47 Ų4767.9 Ų67.922%0.2235%0.351CS..EExtended strand (participates in β ladder)trans-131.9150.2168-76.5179.668.500109.9D17 V25 T27 T84 V85 Y86Q15-D17 PolarHBondContact O-N 3.24Å; Q15-V25 PolarHBondContact N-O 2.99Å; Q15-V25 PolarHBondContact O-N 3.03Å; Q15-T27 PolarHBondContact N-OG1 3.4Å; Q15-T27 PolarHBondContact NE2-OG1 3.16Å; Q15-T84 PolarHBondContact OE1-OG1 3.05Å; Q15-V85 VanDerWaalsContact CA-O 3.29Å; Q15-V85 WeakPolarHBondContact CA-O 3.5Å; Q15-Y86 HydrophobicContact CG-CD1 3.59Å; Q15-Y86 HydrophobicContact CG-CE1 3.86Å
16I93.9Very high94.2Very high27 Ų2769 Ų6914%0.13836%0.358CS..EExtended strand (participates in β ladder)trans-68.8129.8167.8-70.2-173.4000108.9P18 K21 N23 W24 V85I16-P18 WeakPolarHBondContact O-CD 3.48Å; I16-K21 VanDerWaalsContact CG2-C 3.42Å; I16-N23 WeakPolarHBondContact CA-O 3.49Å; I16-W24 HydrophobicContact CD1-CH2 4.34Å; I16-W24 HydrophobicContact CD1-CZ2 4.25Å; I16-W24 HydrophobicContact CG1-CD2 4.12Å; I16-W24 HydrophobicContact CG1-CE3 3.92Å; I16-W24 HydrophobicContact CG1-CH2 3.88Å; I16-W24 HydrophobicContact CG1-CZ2 4.04Å; I16-W24 HydrophobicContact CG1-CZ3 3.8Å; I16-V85 HydrophobicContact CB-CB 4.14Å; I16-V85 HydrophobicContact CD1-CB 3.75Å; I16-V85 HydrophobicContact CD1-CG1 3.94Å; I16-V85 HydrophobicContact CD1-CG2 4.05Å; I16-V85 HydrophobicContact CG1-CB 3.9Å; I16-V85 HydrophobicContact CG1-CG1 4.31Å; I16-V85 PolarHBondContact N-O 3.33Å
17D89.8Confident94.2Very high33 Ų3366.9 Ų66.918%0.17635%0.349CS..  trans-50.4120.2173.1170.411.1000111.1Q15 S19 T20 K21 N23 V25Q15-D17 PolarHBondContact O-N 3.24Å; D17-S19 VanDerWaalsContact CG-OG 3.22Å; D17-S19 PolarHBondContact O-N 3.14Å; D17-S19 VanDerWaalsContact O-N 3.16Å; D17-S19 WeakPolarHBondContact OD1-CB 3.28Å; D17-S19 PolarHBondContact OD1-N 2.89Å; D17-S19 PolarHBondContact OD1-OG 3.2Å; D17-S19 PolarHBondContact OD2-OG 2.87Å; D17-T20 WeakPolarHBondContact CB-OG1 3.38Å; D17-T20 VanDerWaalsContact CG-OG1 3.31Å; D17-T20 VanDerWaalsContact OD2-CB 3.27Å; D17-T20 WeakPolarHBondContact OD2-CB 3.46Å; D17-T20 WeakPolarHBondContact OD2-CG2 3.43Å; D17-T20 PolarHBondContact OD2-N 2.91Å; D17-T20 PolarHBondContact OD2-OG1 2.92Å; D17-K21 WeakPolarHBondContact O-CA 3.44Å; D17-K21 PolarHBondContact O-N 3.43Å; D17-N23 HydrophobicContact CB-CB 4.45Å; D17-N23 PolarHBondContact N-O 3.12Å; D17-V25 HydrophobicContact CB-CG2 3.79Å
18P86.6Confident94.1Very high99 Ų9965.2 Ų65.264%0.64334%0.342SS*.THydrogen-bonded Turntrans-58.5-27.1179.1-25.534.9000114.2I16 K21I16-P18 WeakPolarHBondContact O-CD 3.48Å; P18-K21 VanDerWaalsContact O-CE 3.3Å; P18-K21 WeakPolarHBondContact O-CE 3.4Å
19S85.9Confident93.9Very high101 Ų10171.2 Ų71.271%0.70636%0.361SS*.THydrogen-bonded Turntrans-85.2-50.1-176.170.70000112.8D17D17-S19 VanDerWaalsContact CG-OG 3.22Å; D17-S19 PolarHBondContact O-N 3.14Å; D17-S19 VanDerWaalsContact O-N 3.16Å; D17-S19 WeakPolarHBondContact OD1-CB 3.28Å; D17-S19 PolarHBondContact OD1-N 2.89Å; D17-S19 PolarHBondContact OD1-OG 3.2Å; D17-S19 PolarHBondContact OD2-OG 2.87Å
20T87.2Confident93.8Very high62 Ų6277.1 Ų77.138%0.3839%0.387SS..THydrogen-bonded Turntrans-86.9-19.7-179.662.20000114.2D17 K22 N23D17-T20 WeakPolarHBondContact CB-OG1 3.38Å; D17-T20 VanDerWaalsContact CG-OG1 3.31Å; D17-T20 VanDerWaalsContact OD2-CB 3.27Å; D17-T20 WeakPolarHBondContact OD2-CB 3.46Å; D17-T20 WeakPolarHBondContact OD2-CG2 3.43Å; D17-T20 PolarHBondContact OD2-N 2.91Å; D17-T20 PolarHBondContact OD2-OG1 2.92Å; T20-K22 WeakPolarHBondContact O-CG 3.31Å; T20-K22 PolarHBondContact O-N 3.06Å; T20-N23 PolarHBondContact OG1-ND2 3.36Å
21K87.5Confident93.7Very high103 Ų10372.1 Ų72.145%0.44837%0.374SS..SBendtrans51.516.3-176.1-64.4-67.7-170.9175.70115.2I16 D17 P18 N83I16-K21 VanDerWaalsContact CG2-C 3.42Å; D17-K21 WeakPolarHBondContact O-CA 3.44Å; D17-K21 PolarHBondContact O-N 3.43Å; P18-K21 VanDerWaalsContact O-CE 3.3Å; P18-K21 WeakPolarHBondContact O-CE 3.4Å; K21-N83 PolarHBondContact NZ-O 2.92Å
22K87.7Confident93.7Very high179 Ų17972.5 Ų72.578%0.77838%0.377SS*.SBendtrans-130.1-31.5-176.2-70.9-179.2179.9-177.80113.7T20T20-K22 WeakPolarHBondContact O-CG 3.31Å; T20-K22 PolarHBondContact O-N 3.06Å
23N92.4Very high93.7Very high95 Ų9571.9 Ų71.951%0.50838%0.378SS..  trans-93.4140-174.3-63-39.7000111.7I16 D17 T20I16-N23 WeakPolarHBondContact CA-O 3.49Å; D17-N23 HydrophobicContact CB-CB 4.45Å; D17-N23 PolarHBondContact N-O 3.12Å; T20-N23 PolarHBondContact OG1-ND2 3.36Å
24W96.1Very high93.7Very high86 Ų8671.9 Ų71.933%0.32638%0.378SS..EExtended strand (participates in β ladder)trans-83.3127.8170.9-73.8108.4000111F14 I16 F74 Q76 V85F14-W24 HydrophobicContact CB-CD2 4.42Å; F14-W24 HydrophobicContact CB-CE3 3.65Å; F14-W24 HydrophobicContact CB-CZ3 4.19Å; I16-W24 HydrophobicContact CD1-CH2 4.34Å; I16-W24 HydrophobicContact CD1-CZ2 4.25Å; I16-W24 HydrophobicContact CG1-CD2 4.12Å; I16-W24 HydrophobicContact CG1-CE3 3.92Å; I16-W24 HydrophobicContact CG1-CH2 3.88Å; I16-W24 HydrophobicContact CG1-CZ2 4.04Å; I16-W24 HydrophobicContact CG1-CZ3 3.8Å; W24-F74 AromaticContact CD2-CZ 3.99Å; W24-F74 HydrophobicContact CD2-CZ 3.99Å; W24-F74 AromaticContact CE2-CE1 3.91Å; W24-F74 AromaticContact CE2-CZ 3.83Å; W24-F74 HydrophobicContact CE3-CZ 4.22Å; W24-F74 HydrophobicContact CH2-CE1 4.19Å; W24-F74 HydrophobicContact CH2-CZ 4.14Å; W24-F74 AromaticContact CZ2-CE1 3.72Å; W24-F74 HydrophobicContact CZ2-CE1 3.72Å; W24-F74 AromaticContact CZ2-CZ 3.92Å; W24-F74 HydrophobicContact CZ2-CZ 3.92Å; W24-F74 HydrophobicContact CZ3-CZ 4.29Å; W24-Q76 HydrophobicContact CH2-CB 3.79Å; W24-Q76 HydrophobicContact CZ2-CB 4.03Å; W24-V85 HydrophobicContact CH2-CG1 3.96Å
25V96.3Very high93.7Very high69 Ų6969.8 Ų69.842%0.41837%0.37SS..EExtended strand (participates in β ladder)trans-111.9126176.1-176.50000108.9F14 Q15 D17 T27F14-V25 WeakPolarHBondContact CA-O 3.31Å; Q15-V25 PolarHBondContact N-O 2.99Å; Q15-V25 PolarHBondContact O-N 3.03Å; D17-V25 HydrophobicContact CB-CG2 3.79Å; V25-T27 PolarHBondContact O-N 2.97Å
26P96.8Very high93.7Very high85 Ų8567.6 Ų67.655%0.55236%0.36SS*.EExtended strand (participates in β ladder)trans-64.7125.5175.627-33.3000110F14F14-P26 HydrophobicContact CD1-CB 4.08Å; F14-P26 HydrophobicContact CE1-CB 3.98Å
27T96.1Very high93.9Very high40 Ų4067.9 Ų67.925%0.24536%0.36CS..SBendtrans-93.3-28.1176.7-46.80000111.6V13 Q15 V25 I56V13-T27 HydrophobicContact CG1-CG2 4.43Å; V13-T27 PolarHBondContact O-N 3.43Å; Q15-T27 PolarHBondContact N-OG1 3.4Å; Q15-T27 PolarHBondContact NE2-OG1 3.16Å; V25-T27 PolarHBondContact O-N 2.97Å; T27-I56 HydrophobicContact CG2-CB 3.73Å; T27-I56 HydrophobicContact CG2-CG2 3.92Å
28S95.6Very high94.2Very high7 Ų769.6 Ų69.65%0.04937%0.366CS..  trans-118.5142.3172.470.10000111.3V13 H30V13-S28 PolarHBondContact N-OG 3.02Å; V13-S28 VanDerWaalsContact N-OG 3.11Å; V13-S28 PolarHBondContact O-N 3.35Å; S28-H30 WeakPolarHBondContact CB-O 3.5Å; S28-H30 PolarHBondContact OG-O 2.89Å
29K92.9Very high94.5Very high185 Ų18565.1 Ų65.180%0.80434%0.337SS*.SBendtrans-75.5-25.9177-72.4-175.2177.5-179.30113.5
30H95.8Very high94.7Very high139 Ų13964.4 Ų64.464%0.64433%0.332SS*.SBendtrans-130.5172.9179.7-56.9-61.6000109.7S28 V32S28-H30 WeakPolarHBondContact CB-O 3.5Å; S28-H30 PolarHBondContact OG-O 2.89Å; H30-V32 PolarHBondContact O-N 2.99Å
31A97.1Very high94.9Very high28 Ų2867.3 Ų67.323%0.23135%0.349CS..  trans-61.1128.7167.300000109.3R10 A11 H12R10-A31 PolarHBondContact NH1-O 3.28Å; R10-A31 PolarHBondContact NH2-O 2.6Å; A11-A31 CarbonylContact O-C 3.6Å; A11-A31 WeakPolarHBondContact O-CA 3.23Å; H12-A31 PolarHBondContact CD2-N 2.94Å; H12-A31 VanDerWaalsContact CD2-N 3.33Å; H12-A31 PolarHBondContact NE2-N 3.28Å; H12-A31 VanDerWaalsContact NE2-N 3.13Å
32V98.1Very high95Very high10 Ų1068.5 Ų68.56%0.06135%0.351CS..EExtended strand (participates in β ladder)trans-113.4165.9177.7-71.60000109.6R10 A11 V13 H30 V34 S49 D51 I56R10-V32 WeakPolarHBondContact CA-O 3.31Å; A11-V32 PolarHBondContact N-O 2.93Å; A11-V32 WeakPolarHBondContact O-CG2 3.39Å; A11-V32 PolarHBondContact O-N 3.08Å; V13-V32 HydrophobicContact CB-CG2 4.45Å; V13-V32 HydrophobicContact CG2-CG2 3.42Å; V13-V32 VanDerWaalsContact CG2-CG2 3.42Å; H30-V32 PolarHBondContact O-N 2.99Å; V32-V34 HydrophobicContact CG2-CG2 4.44Å; V32-S49 WeakPolarHBondContact CG2-OG 3.21Å; V32-D51 HydrophobicContact CG1-CB 4.35Å; V32-I56 HydrophobicContact CG1-CD1 4.4Å; V32-I56 HydrophobicContact CG2-CD1 3.94Å
33T98.1Very high95.2Very high63 Ų6362.3 Ų62.339%0.38733%0.327SS..EExtended strand (participates in β ladder)trans-80.3127.9173.9-53.30000109.2T9 R10 S49T9-T33 CarbonylContact O-C 3.49Å; T9-T33 WeakPolarHBondContact O-CA 3.45Å; R10-T33 WeakPolarHBondContact CD-OG1 3.32Å; R10-T33 PolarHBondContact NH1-OG1 3.32Å; T33-S49 WeakPolarHBondContact O-CB 3.49Å; T33-S49 PolarHBondContact O-OG 2.94Å
34V98.4Very high95.3Very high0 Ų059.6 Ų59.60%031%0.313CS..EExtended strand (participates in β ladder)trans-118.9123.8176-173.70000107.4T9 A11 V13 V32 I47 I57 L88 F99T9-V34 PolarHBondContact N-O 3.29Å; T9-V34 PolarHBondContact O-N 2.82Å; A11-V34 HydrophobicContact CB-CG2 4.29Å; V13-V34 HydrophobicContact CG2-CG2 4.14Å; V32-V34 HydrophobicContact CG2-CG2 4.44Å; V34-I47 HydrophobicContact CG1-CG2 3.69Å; V34-I57 HydrophobicContact CG1-CD1 4.18Å; V34-I57 HydrophobicContact CG2-CD1 4.39Å; V34-L88 HydrophobicContact CG1-CD1 4.11Å; V34-L88 HydrophobicContact CG2-CD2 3.95Å; V34-F99 HydrophobicContact CG1-CE2 3.95Å; V34-F99 HydrophobicContact CG1-CZ 4.32Å
35S98.3Very high95.4Very high8 Ų857.6 Ų57.66%0.05631%0.306CS..EExtended strand (participates in β ladder)trans-135.1147.3-169.5-59.30000112.4F7 S8 I47 I48F7-S35 CarbonylContact O-C 3.59Å; F7-S35 WeakPolarHBondContact O-CA 3.29Å; F7-S35 WeakPolarHBondContact O-CB 3.35Å; S8-S35 VanDerWaalsContact CB-OG 3.3Å; S8-S35 WeakPolarHBondContact CB-OG 3.35Å; S8-S35 PolarHBondContact OG-OG 3.5Å; S35-I47 WeakPolarHBondContact O-CA 3.32Å; S35-I48 PolarHBondContact N-O 3.5Å; S35-I48 PolarHBondContact O-N 2.86Å
36Y98.2Very high95.4Very high0 Ų055.7 Ų55.70%029%0.291CS..EExtended strand (participates in β ladder)trans-91.9133.7168.8-67.5-93000109.6P5 I6 F7 R46 I47 I61 F99 K102 F103 F106P5-Y36 CarbonylContact C-O 3.58Å; P5-Y36 WeakPolarHBondContact CA-O 3.49Å; I6-Y36 PolarHBondContact N-O 3.11Å; F7-Y36 HydrophobicContact CB-CD2 4.13Å; F7-Y36 AromaticContact CD1-CD2 3.77Å; F7-Y36 HydrophobicContact CD1-CD2 3.77Å; F7-Y36 HydrophobicContact CD1-CE2 4.05Å; F7-Y36 HydrophobicContact CG-CD2 4.36Å; F7-Y36 PolarHBondContact O-N 3.49Å; Y36-R46 CarbonylContact C-O 3.58Å; Y36-R46 WeakPolarHBondContact CA-O 3.4Å; Y36-I47 HydrophobicContact CD1-CG1 3.79Å; Y36-I47 HydrophobicContact CE1-CD1 3.78Å; Y36-I47 HydrophobicContact CE1-CG1 3.53Å; Y36-I61 HydrophobicContact CD1-CD1 3.59Å; Y36-I61 HydrophobicContact CE1-CD1 3.54Å; Y36-F99 HydrophobicContact CD2-CE2 4.4Å; Y36-F99 AromaticContact CE2-CD2 3.74Å; Y36-F99 HydrophobicContact CE2-CD2 3.74Å; Y36-F99 AromaticContact CE2-CE2 3.44Å; Y36-F99 HydrophobicContact CE2-CE2 3.44Å; Y36-F99 VanDerWaalsContact CE2-CE2 3.44Å; Y36-F99 AromaticContact CE2-CZ 3.97Å; Y36-F99 HydrophobicContact CE2-CZ 3.97Å; Y36-F99 AromaticContact CZ-CE2 3.75Å; Y36-F99 AromaticContact CZ-CZ 3.76Å; Y36-F99 VanDerWaalsContact OH-CE1 3.31Å; Y36-F99 WeakPolarHBondContact OH-CE1 3.47Å; Y36-F99 VanDerWaalsContact OH-CZ 3.23Å; Y36-F99 WeakPolarHBondContact OH-CZ 3.45Å; Y36-F99 PolarHBondContact OH-O 2.69Å; Y36-K102 HydrophobicContact CD2-CB 4.43Å; Y36-K102 HydrophobicContact CE2-CB 3.93Å; Y36-F103 WeakPolarHBondContact OH-CA 3.39Å; Y36-F103 WeakPolarHBondContact OH-CB 3.45Å; Y36-F103 WeakPolarHBondContact OH-CD2 3.43Å; Y36-F103 PolarHBondContact OH-N 2.97Å; Y36-F106 VanDerWaalsContact CB-CE2 3.49Å; Y36-F106 HydrophobicContact CD1-CB 4.28Å; Y36-F106 AromaticContact CD1-CD2 3.23Å; Y36-F106 HydrophobicContact CD1-CD2 3.23Å; Y36-F106 AromaticContact CD1-CE2 3.83Å; Y36-F106 HydrophobicContact CD1-CE2 3.83Å; Y36-F106 HydrophobicContact CD1-CG 4.04Å; Y36-F106 AromaticContact CD2-CD2 3.95Å; Y36-F106 HydrophobicContact CD2-CD2 3.95Å; Y36-F106 AromaticContact CD2-CE2 3.77Å; Y36-F106 HydrophobicContact CD2-CE2 3.77Å; Y36-F106 HydrophobicContact CE1-CB 4.48Å; Y36-F106 AromaticContact CE1-CD2 3.68Å; Y36-F106 HydrophobicContact CE1-CD2 3.68Å; Y36-F106 HydrophobicContact CE1-CE2 4.46Å; Y36-F106 HydrophobicContact CE2-CD2 4.33Å; Y36-F106 HydrophobicContact CE2-CE2 4.41Å; Y36-F106 AromaticContact CG-CD2 3.38Å; Y36-F106 HydrophobicContact CG-CD2 3.38Å; Y36-F106 AromaticContact CG-CE2 3.43Å; Y36-F106 HydrophobicContact CG-CE2 3.43Å; Y36-F106 VanDerWaalsContact CG-CE2 3.43Å; Y36-F106 HydrophobicContact CG-CG 4.44Å
37F97.1Very high95.5Very high33 Ų3351.7 Ų51.715%0.14527%0.265CS..EExtended strand (participates in β ladder)trans-124.6150.7176.1-69.6-94.1000109.8E3 P5 Y45 R46 I48E3-F37 HydrophobicContact CB-CD1 4.03Å; E3-F37 WeakPolarHBondContact O-CE1 3.46Å; P5-F37 HydrophobicContact CB-CD1 4.29Å; P5-F37 HydrophobicContact CB-CE1 3.79Å; P5-F37 HydrophobicContact CB-CE2 4.24Å; P5-F37 HydrophobicContact CB-CZ 3.77Å; P5-F37 HydrophobicContact CG-CE1 4.32Å; P5-F37 HydrophobicContact CG-CZ 4.37Å; F37-Y45 CarbonylContact O-C 3.53Å; F37-Y45 WeakPolarHBondContact O-CA 3.37Å; F37-R46 PolarHBondContact N-O 2.94Å; F37-R46 PolarHBondContact O-N 3.02Å; F37-I48 HydrophobicContact CB-CD1 4.29Å; F37-I48 HydrophobicContact CD2-CB 3.76Å; F37-I48 HydrophobicContact CD2-CD1 3.71Å; F37-I48 HydrophobicContact CD2-CG1 3.84Å; F37-I48 HydrophobicContact CE2-CB 3.78Å; F37-I48 HydrophobicContact CE2-CD1 4.23Å; F37-I48 HydrophobicContact CE2-CG1 4.34Å; F37-I48 HydrophobicContact CE2-CG2 4.42Å; F37-I48 HydrophobicContact CG-CD1 4.1Å
38F95.5Very high95.5Very high69 Ų6951 Ų5130%0.30326%0.26SS..EExtended strand (participates in β ladder)trans-109.7114.3167.1174.9-111000108.4I6 S40 N43 Y45I6-F38 HydrophobicContact CD1-CB 3.76Å; I6-F38 HydrophobicContact CG1-CB 4.46Å; F38-S40 PolarHBondContact O-N 2.86Å; F38-N43 VanDerWaalsContact CZ-OD1 3.3Å; F38-N43 WeakPolarHBondContact CZ-OD1 3.48Å; F38-Y45 HydrophobicContact CB-CD1 4.11Å; F38-Y45 HydrophobicContact CB-CE1 3.91Å; F38-Y45 HydrophobicContact CD2-CD1 4.05Å; F38-Y45 HydrophobicContact CD2-CD2 4.04Å; F38-Y45 AromaticContact CD2-CE1 3.71Å; F38-Y45 HydrophobicContact CD2-CE1 3.71Å; F38-Y45 AromaticContact CD2-CE2 3.69Å; F38-Y45 HydrophobicContact CD2-CE2 3.69Å; F38-Y45 HydrophobicContact CD2-CG 4.2Å; F38-Y45 AromaticContact CD2-CZ 3.51Å; F38-Y45 HydrophobicContact CE2-CD2 4.48Å; F38-Y45 AromaticContact CE2-CE2 3.93Å; F38-Y45 HydrophobicContact CE2-CE2 3.93Å; F38-Y45 HydrophobicContact CG-CE1 4.13Å
39D93.4Very high95.7Very high5 Ų550.8 Ų50.83%0.02726%0.258CS..EExtended strand (participates in β ladder)trans-85.6101.4175.1-179.6-35.2000107.9E3 T41 R42 N43 V44 R46E3-D39 WeakPolarHBondContact OE1-CA 3.47Å; D39-T41 PolarHBondContact O-N 3.29Å; D39-T41 WeakPolarHBondContact OD1-CB 3.36Å; D39-T41 PolarHBondContact OD1-N 3.12Å; D39-T41 PolarHBondContact OD1-OG1 3.39Å; D39-R42 PolarHBondContact O-N 3.28Å; D39-R42 PolarHBondContact OD1-N 3.47Å; D39-R42 IonicContact OD1-NE 2.77Å; D39-R42 IonicContact OD2-CZ 3.04Å; D39-R42 IonicContact OD2-NE 3.13Å; D39-R42 PolarHBondContact OD2-NE 3.37Å; D39-R42 IonicContact OD2-NH2 2.67Å; D39-R42 PolarHBondContact OD2-NH2 3.43Å; D39-N43 VanDerWaalsContact O-CA 3.27Å; D39-N43 WeakPolarHBondContact O-CA 3.47Å; D39-N43 PolarHBondContact O-N 3.04Å; D39-V44 HydrophobicContact CB-CG2 4.08Å; D39-V44 PolarHBondContact N-O 3.08Å; D39-V44 PolarHBondContact O-N 3.02Å; D39-R46 IonicContact OD2-NH1 3.82Å
40S90.5Very high95.8Very high87 Ų8746.5 Ų46.561%0.60824%0.244SC*.THydrogen-bonded Turntrans-70.2-21-177.560.10000113.1F38F38-S40 PolarHBondContact O-N 2.86Å
41T90.3Very high95.7Very high122 Ų12243 Ų4375%0.74823%0.23SC*.THydrogen-bonded Turntrans-75.4-34.9179.372.60000111.9D39D39-T41 PolarHBondContact O-N 3.29Å; D39-T41 WeakPolarHBondContact OD1-CB 3.36Å; D39-T41 PolarHBondContact OD1-N 3.12Å; D39-T41 PolarHBondContact OD1-OG1 3.39Å
42R90.1Very high95.5Very high129 Ų12945 Ų4549%0.48725%0.253SS..THydrogen-bonded Turntrans-104-4.8177.8-68-176.7-67.3168.7-2.3113.5D39 V44 R46D39-R42 PolarHBondContact O-N 3.28Å; D39-R42 PolarHBondContact OD1-N 3.47Å; D39-R42 IonicContact OD1-NE 2.77Å; D39-R42 IonicContact OD2-CZ 3.04Å; D39-R42 IonicContact OD2-NE 3.13Å; D39-R42 PolarHBondContact OD2-NE 3.37Å; D39-R42 IonicContact OD2-NH2 2.67Å; D39-R42 PolarHBondContact OD2-NH2 3.43Å; R42-V44 HydrophobicContact CB-CG2 3.85Å; R42-V44 PolarHBondContact O-N 2.95Å; R42-R46 VanDerWaalsContact NH2-CZ 3.28Å; R42-R46 VanDerWaalsContact NH2-NH1 3.13Å
43N92.6Very high95.1Very high49 Ų4950.7 Ų50.726%0.26229%0.293SS..THydrogen-bonded Turntrans5447.4-176.9-165.529.5000112.6F38 D39 A113 S117F38-N43 VanDerWaalsContact CZ-OD1 3.3Å; F38-N43 WeakPolarHBondContact CZ-OD1 3.48Å; D39-N43 VanDerWaalsContact O-CA 3.27Å; D39-N43 WeakPolarHBondContact O-CA 3.47Å; D39-N43 PolarHBondContact O-N 3.04Å; N43-A113 PolarHBondContact ND2-O 3.33Å; N43-A113 VanDerWaalsContact ND2-O 3.08Å; N43-S117 PolarHBondContact ND2-OG 3.34Å
44V94.8Very high94.9Very high38 Ų3854.7 Ų54.723%0.2331%0.305CS..EExtended strand (participates in β ladder)trans-134.9148.2-177.3-67.10000113D39 R42 R46 T60D39-V44 HydrophobicContact CB-CG2 4.08Å; D39-V44 PolarHBondContact N-O 3.08Å; D39-V44 PolarHBondContact O-N 3.02Å; R42-V44 HydrophobicContact CB-CG2 3.85Å; R42-V44 PolarHBondContact O-N 2.95Å; V44-R46 HydrophobicContact CG2-CG 4.31Å; V44-T60 HydrophobicContact CB-CG2 3.93Å; V44-T60 HydrophobicContact CG1-CG2 4.22Å; V44-T60 HydrophobicContact CG2-CG2 4.08Å
45Y96.8Very high94.8Very high43 Ų4357.4 Ų57.417%0.16933%0.327CS..EExtended strand (participates in β ladder)trans-89.5139.4171.2-65.4-92.8000110.7I6 F37 F38 I61 F106 A109 A110 A113I6-Y45 HydrophobicContact CD1-CD1 3.78Å; I6-Y45 HydrophobicContact CD1-CE1 3.69Å; F37-Y45 CarbonylContact O-C 3.53Å; F37-Y45 WeakPolarHBondContact O-CA 3.37Å; F38-Y45 HydrophobicContact CB-CD1 4.11Å; F38-Y45 HydrophobicContact CB-CE1 3.91Å; F38-Y45 HydrophobicContact CD2-CD1 4.05Å; F38-Y45 HydrophobicContact CD2-CD2 4.04Å; F38-Y45 AromaticContact CD2-CE1 3.71Å; F38-Y45 HydrophobicContact CD2-CE1 3.71Å; F38-Y45 AromaticContact CD2-CE2 3.69Å; F38-Y45 HydrophobicContact CD2-CE2 3.69Å; F38-Y45 HydrophobicContact CD2-CG 4.2Å; F38-Y45 AromaticContact CD2-CZ 3.51Å; F38-Y45 HydrophobicContact CE2-CD2 4.48Å; F38-Y45 AromaticContact CE2-CE2 3.93Å; F38-Y45 HydrophobicContact CE2-CE2 3.93Å; F38-Y45 HydrophobicContact CG-CE1 4.13Å; Y45-I61 PolarHBondContact O-N 2.78Å; Y45-F106 HydrophobicContact CD1-CB 4.27Å; Y45-F106 AromaticContact CD1-CD1 3.58Å; Y45-F106 HydrophobicContact CD1-CD1 3.58Å; Y45-F106 HydrophobicContact CD1-CE1 4.28Å; Y45-F106 HydrophobicContact CD1-CG 4.15Å; Y45-F106 AromaticContact CE1-CD1 3.71Å; Y45-F106 HydrophobicContact CE1-CD1 3.71Å; Y45-F106 HydrophobicContact CE1-CE1 4.16Å; Y45-F106 HydrophobicContact CG-CB 4.35Å; Y45-F106 HydrophobicContact CG-CD1 4.43Å; Y45-A109 HydrophobicContact CD2-CB 4.11Å; Y45-A109 HydrophobicContact CE1-CB 4.28Å; Y45-A109 HydrophobicContact CE2-CB 3.48Å; Y45-A109 VanDerWaalsContact CE2-CB 3.48Å; Y45-A110 HydrophobicContact CD2-CB 4.13Å; Y45-A113 HydrophobicContact CE2-CB 4.49Å
46R97.2Very high94.7Very high30 Ų3057.6 Ų57.611%0.11333%0.327CS..EExtended strand (participates in β ladder)trans-135.5138.6-175.9-70166.265-149.6-0.4111.5Y36 F37 D39 R42 V44 I48 N58 S59 T60Y36-R46 CarbonylContact C-O 3.58Å; Y36-R46 WeakPolarHBondContact CA-O 3.4Å; F37-R46 PolarHBondContact N-O 2.94Å; F37-R46 PolarHBondContact O-N 3.02Å; D39-R46 IonicContact OD2-NH1 3.82Å; R42-R46 VanDerWaalsContact NH2-CZ 3.28Å; R42-R46 VanDerWaalsContact NH2-NH1 3.13Å; V44-R46 HydrophobicContact CG2-CG 4.31Å; R46-I48 HydrophobicContact CB-CD1 4.35Å; R46-I48 HydrophobicContact CB-CG1 4.14Å; R46-N58 PolarHBondContact NE-OD1 3.23Å; R46-N58 PolarHBondContact NH2-OD1 3.3Å; R46-S59 CarbonylContact C-O 3.58Å; R46-S59 VanDerWaalsContact CA-O 3.23Å; R46-S59 WeakPolarHBondContact CA-O 3.32Å; R46-T60 HydrophobicContact CG-CG2 4.41Å
47I98.1Very high94.7Very high0 Ų057.6 Ų57.60%033%0.327CS..EExtended strand (participates in β ladder)trans-92121.6165.9-52.1175.8000107.1V34 S35 Y36 I57 N58 S59 I61 W77 F99 F103V34-I47 HydrophobicContact CG1-CG2 3.69Å; S35-I47 WeakPolarHBondContact O-CA 3.32Å; Y36-I47 HydrophobicContact CD1-CG1 3.79Å; Y36-I47 HydrophobicContact CE1-CD1 3.78Å; Y36-I47 HydrophobicContact CE1-CG1 3.53Å; I47-I57 HydrophobicContact CB-CG2 4.31Å; I47-I57 HydrophobicContact CG2-CG2 4.01Å; I47-N58 WeakPolarHBondContact O-CA 3.42Å; I47-S59 PolarHBondContact N-O 3.1Å; I47-S59 PolarHBondContact O-N 3.5Å; I47-I61 HydrophobicContact CD1-CD1 4.34Å; I47-I61 HydrophobicContact CD1-CG1 4.34Å; I47-I61 HydrophobicContact CG1-CD1 3.92Å; I47-I61 HydrophobicContact CG1-CG1 4.04Å; I47-W77 HydrophobicContact CB-CZ2 4.33Å; I47-W77 HydrophobicContact CD1-CH2 4.12Å; I47-W77 HydrophobicContact CD1-CZ2 3.74Å; I47-W77 HydrophobicContact CG2-CH2 4.13Å; I47-W77 HydrophobicContact CG2-CZ2 4.15Å; I47-F99 HydrophobicContact CD1-CZ 4.22Å; I47-F99 HydrophobicContact CG2-CZ 4.36Å; I47-F103 HydrophobicContact CD1-CD2 3.79Å; I47-F103 HydrophobicContact CD1-CE2 3.58Å
48I97.7Very high94.7Very high26 Ų2659.7 Ų59.713%0.13334%0.34CS..EExtended strand (participates in β ladder)trans-126.3137.1-179.7-54-179.9000109.2S35 F37 R46 L50 I57S35-I48 PolarHBondContact N-O 3.5Å; S35-I48 PolarHBondContact O-N 2.86Å; F37-I48 HydrophobicContact CB-CD1 4.29Å; F37-I48 HydrophobicContact CD2-CB 3.76Å; F37-I48 HydrophobicContact CD2-CD1 3.71Å; F37-I48 HydrophobicContact CD2-CG1 3.84Å; F37-I48 HydrophobicContact CE2-CB 3.78Å; F37-I48 HydrophobicContact CE2-CD1 4.23Å; F37-I48 HydrophobicContact CE2-CG1 4.34Å; F37-I48 HydrophobicContact CE2-CG2 4.42Å; F37-I48 HydrophobicContact CG-CD1 4.1Å; R46-I48 HydrophobicContact CB-CD1 4.35Å; R46-I48 HydrophobicContact CB-CG1 4.14Å; I48-L50 HydrophobicContact CG2-CD2 4.22Å; I48-I57 WeakPolarHBondContact CA-O 3.27Å
49S97.8Very high94.8Very high2 Ų256.4 Ų56.41%0.01433%0.326CS..EExtended strand (participates in β ladder)trans-143.6138.6170.4-172.60000109.7V32 T33 I56 I57V32-S49 WeakPolarHBondContact CG2-OG 3.21Å; T33-S49 WeakPolarHBondContact O-CB 3.49Å; T33-S49 PolarHBondContact O-OG 2.94Å; S49-I56 WeakPolarHBondContact O-CG1 3.27Å; S49-I56 PolarHBondContact O-N 3.35Å; S49-I57 PolarHBondContact N-O 2.92Å; S49-I57 PolarHBondContact O-N 2.89Å; S49-I57 VanDerWaalsContact O-N 3.17Å
50L96.4Very high94.9Very high95 Ų9557.3 Ų57.350%0.49733%0.332SS..EExtended strand (participates in β ladder)trans-116.8137.9-178.7-52.9-178.4000109.6I48 K54 A55I48-L50 HydrophobicContact CG2-CD2 4.22Å; L50-K54 WeakPolarHBondContact CA-O 3.42Å; L50-A55 HydrophobicContact CD2-CB 3.84Å
51D94.1Very high95.3Very high67 Ų6753.4 Ų53.436%0.35830%0.304SS..EExtended strand (participates in β ladder)trans-114.6108.3164.6-164.6-2.6000107.5V32 S53 K54 I56V32-D51 HydrophobicContact CG1-CB 4.35Å; D51-S53 PolarHBondContact O-N 3.28Å; D51-K54 PolarHBondContact N-O 3.4Å; D51-K54 PolarHBondContact O-N 3.25Å; D51-I56 HydrophobicContact CB-CD1 3.82Å; D51-I56 HydrophobicContact CB-CG1 4.22Å; D51-I56 HydrophobicContact CB-CG2 3.93Å
52G91.2Very high95.5Very high69 Ų6950 Ų5071%0.71128%0.283SS*.THydrogen-bonded Turntrans56.5-124.5-162.600000111.7
53S90.8Very high95.7Very high129 Ų12946.1 Ų46.190%0.90227%0.274SS*.THydrogen-bonded Turntrans-87.6-4.1175.955.40000114.3D51D51-S53 PolarHBondContact O-N 3.28Å
54K94.4Very high95.7Very high148 Ų14849.8 Ų49.864%0.64329%0.294SS*.EExtended strand (participates in β ladder)trans-95.3125.5-174.7-176.5179.8177.5-175.70111L50 D51 I56L50-K54 WeakPolarHBondContact CA-O 3.42Å; D51-K54 PolarHBondContact N-O 3.4Å; D51-K54 PolarHBondContact O-N 3.25Å; K54-I56 HydrophobicContact CD-CG2 4.46Å; K54-I56 HydrophobicContact CG-CG2 4.36Å; K54-I56 PolarHBondContact O-N 3.38Å
55A94.9Very high95.8Very high56 Ų5648.5 Ų48.546%0.46329%0.286SS..EExtended strand (participates in β ladder)trans-68.8119.3166.900000110.3L50L50-A55 HydrophobicContact CD2-CB 3.84Å
56I96.9Very high95.8Very high12 Ų1251.2 Ų51.26%0.06231%0.307CS..EExtended strand (participates in β ladder)trans-108.3-21.1179.553.2161.1000112.8V13 T27 V32 S49 D51 K54V13-I56 HydrophobicContact CB-CD1 4.12Å; V13-I56 HydrophobicContact CG1-CD1 4.44Å; V13-I56 HydrophobicContact CG2-CD1 4.02Å; T27-I56 HydrophobicContact CG2-CB 3.73Å; T27-I56 HydrophobicContact CG2-CG2 3.92Å; V32-I56 HydrophobicContact CG1-CD1 4.4Å; V32-I56 HydrophobicContact CG2-CD1 3.94Å; S49-I56 WeakPolarHBondContact O-CG1 3.27Å; S49-I56 PolarHBondContact O-N 3.35Å; D51-I56 HydrophobicContact CB-CD1 3.82Å; D51-I56 HydrophobicContact CB-CG1 4.22Å; D51-I56 HydrophobicContact CB-CG2 3.93Å; K54-I56 HydrophobicContact CD-CG2 4.46Å; K54-I56 HydrophobicContact CG-CG2 4.36Å; K54-I56 PolarHBondContact O-N 3.38Å
57I97.9Very high95.9Very high0 Ų050.9 Ų50.90%031%0.306CS..EExtended strand (participates in β ladder)trans-127.4132.7162.4-53.2174.1000107.5V13 V34 I47 I48 S49 W77 Y86 L88V13-I57 HydrophobicContact CB-CD1 4.41Å; V13-I57 HydrophobicContact CG1-CD1 3.7Å; V13-I57 HydrophobicContact CG1-CG1 3.74Å; V13-I57 HydrophobicContact CG2-CD1 3.74Å; V13-I57 HydrophobicContact CG2-CG1 4.37Å; V34-I57 HydrophobicContact CG1-CD1 4.18Å; V34-I57 HydrophobicContact CG2-CD1 4.39Å; I47-I57 HydrophobicContact CB-CG2 4.31Å; I47-I57 HydrophobicContact CG2-CG2 4.01Å; I48-I57 WeakPolarHBondContact CA-O 3.27Å; S49-I57 PolarHBondContact N-O 2.92Å; S49-I57 PolarHBondContact O-N 2.89Å; S49-I57 VanDerWaalsContact O-N 3.17Å; I57-W77 HydrophobicContact CD1-CH2 4.16Å; I57-W77 HydrophobicContact CG2-CH2 4.33Å; I57-W77 HydrophobicContact CG2-CZ2 3.92Å; I57-Y86 HydrophobicContact CB-CE1 4.34Å; I57-Y86 HydrophobicContact CG1-CD1 3.97Å; I57-Y86 HydrophobicContact CG1-CE1 4.08Å; I57-Y86 HydrophobicContact CG2-CD1 4.32Å; I57-Y86 HydrophobicContact CG2-CE1 4.2Å; I57-Y86 HydrophobicContact CG2-CE2 4.44Å; I57-L88 HydrophobicContact CD1-CD2 3.94Å
58N96.6Very high95.9Very high78 Ų7854.2 Ų54.242%0.41733%0.327SS..EExtended strand (participates in β ladder)trans-148.769.2170.2-179.111.6000108.4R46 I47R46-N58 PolarHBondContact NE-OD1 3.23Å; R46-N58 PolarHBondContact NH2-OD1 3.3Å; I47-N58 WeakPolarHBondContact O-CA 3.42Å
59S97.8Very high95.9Very high0 Ų057.9 Ų57.90%034%0.342CS..EExtended strand (participates in β ladder)trans-102.5126.7-171.4-170.50000109.8R46 I47 M65 W77 D79R46-S59 CarbonylContact C-O 3.58Å; R46-S59 VanDerWaalsContact CA-O 3.23Å; R46-S59 WeakPolarHBondContact CA-O 3.32Å; I47-S59 PolarHBondContact N-O 3.1Å; I47-S59 PolarHBondContact O-N 3.5Å; S59-M65 WeakPolarHBondContact OG-CE 3.47Å; S59-W77 PolarHBondContact OG-NE1 2.9Å; S59-D79 VanDerWaalsContact CA-OD2 3.23Å; S59-D79 WeakPolarHBondContact CA-OD2 3.33Å; S59-D79 VanDerWaalsContact CB-OD2 3.23Å; S59-D79 WeakPolarHBondContact CB-OD2 3.46Å; S59-D79 PolarHBondContact OG-OD2 3.34Å
60T97Very high95.9Very high24 Ų2461.4 Ų61.415%0.14736%0.363CS..EExtended strand (participates in β ladder)trans-92.1124.7176.4-56.40000108.7V44 R46 T62V44-T60 HydrophobicContact CB-CG2 3.93Å; V44-T60 HydrophobicContact CG1-CG2 4.22Å; V44-T60 HydrophobicContact CG2-CG2 4.08Å; R46-T60 HydrophobicContact CG-CG2 4.41Å; T60-T62 PolarHBondContact O-N 3.35Å
61I97.3Very high95.9Very high5 Ų560.1 Ų60.13%0.02636%0.362CS..PPolyproline II helixtrans-75.9126.7-176.1-55.7175.6000109.1Y36 Y45 I47 F106 K107 A110Y36-I61 HydrophobicContact CD1-CD1 3.59Å; Y36-I61 HydrophobicContact CE1-CD1 3.54Å; Y45-I61 PolarHBondContact O-N 2.78Å; I47-I61 HydrophobicContact CD1-CD1 4.34Å; I47-I61 HydrophobicContact CD1-CG1 4.34Å; I47-I61 HydrophobicContact CG1-CD1 3.92Å; I47-I61 HydrophobicContact CG1-CG1 4.04Å; I61-F106 HydrophobicContact CD1-CB 3.81Å; I61-K107 HydrophobicContact CG2-CB 4.13Å; I61-A110 HydrophobicContact CG2-CB 4.38Å
62T95.4Very high95.9Very high50 Ų5062.8 Ų62.831%0.30737%0.372SS..  trans-118.8154.6174.766.30000110.8T60 N64 M65T60-T62 PolarHBondContact O-N 3.35Å; T62-N64 WeakPolarHBondContact CB-OD1 3.29Å; T62-N64 PolarHBondContact O-N 3.2Å; T62-N64 PolarHBondContact OG1-OD1 2.83Å; T62-M65 HydrophobicContact CG2-SD 4.31Å; T62-M65 PolarHBondContact N-SD 2.86Å; T62-M65 WeakPolarHBondContact O-CB 3.49Å; T62-M65 PolarHBondContact O-N 2.79Å; T62-M65 WeakPolarHBondContact OG1-CG 3.33Å; T62-M65 PolarHBondContact OG1-SD 3.39Å; T62-M65 VanDerWaalsContact OG1-SD 3.4Å
63P93.9Very high96.3Very high47 Ų4763.9 Ų63.931%0.30536%0.357SS..THydrogen-bonded Turntrans-60.3-21.5-174.4-27.737.3000115.3R111P63-R111 HydrophobicContact CB-CB 4.16Å; P63-R111 HydrophobicContact CB-CG 4.42Å; P63-R111 HydrophobicContact CG-CB 3.91Å; P63-R111 HydrophobicContact CG-CG 4.33Å
64N93Very high96.6Very high126 Ų12659.4 Ų59.467%0.67432%0.322SS*.THydrogen-bonded Turntrans-944.2178.567.5-51.6000114.1T62T62-N64 WeakPolarHBondContact CB-OD1 3.29Å; T62-N64 PolarHBondContact O-N 3.2Å; T62-N64 PolarHBondContact OG1-OD1 2.83Å
65M96.4Very high96.8Very high12 Ų1252.3 Ų52.36%0.05929%0.291CS..  trans-82.8142.9173.3-73.6164.780.400111.2S59 T62 W77 D79 F103 K107S59-M65 WeakPolarHBondContact OG-CE 3.47Å; T62-M65 HydrophobicContact CG2-SD 4.31Å; T62-M65 PolarHBondContact N-SD 2.86Å; T62-M65 WeakPolarHBondContact O-CB 3.49Å; T62-M65 PolarHBondContact O-N 2.79Å; T62-M65 WeakPolarHBondContact OG1-CG 3.33Å; T62-M65 PolarHBondContact OG1-SD 3.39Å; T62-M65 VanDerWaalsContact OG1-SD 3.4Å; M65-W77 HydrophobicContact CE-CG 4.47Å; M65-D79 HydrophobicContact CE-CB 4.32Å; M65-F103 HydrophobicContact CB-CE1 4.16Å; M65-F103 HydrophobicContact CB-CZ 4.03Å; M65-K107 WeakPolarHBondContact O-CD 3.42Å
66T97.2Very high97Very high99 Ų9952 Ų5261%0.60728%0.28SS*.  trans-126.8131.8178.8-600000109.5W77T66-W77 WeakPolarHBondContact O-CB 3.43Å
67F98.4Very high97Very high24 Ų2451.5 Ų51.511%0.10528%0.277CS..EExtended strand (participates in β ladder)trans-95.3117.3167.6-176.5-93.2000109.7K69 Q76 W77 F90 L96 F99 A100 F103F67-K69 HydrophobicContact CE1-CG 4.32Å; F67-Q76 CarbonylContact C-O 3.6Å; F67-Q76 WeakPolarHBondContact CA-O 3.49Å; F67-W77 HydrophobicContact CD2-CB 4.42Å; F67-W77 AromaticContact CD2-CE3 3.74Å; F67-W77 HydrophobicContact CD2-CE3 3.74Å; F67-W77 HydrophobicContact CD2-CZ3 4.43Å; F67-W77 AromaticContact CE2-CE3 3.88Å; F67-W77 HydrophobicContact CE2-CE3 3.88Å; F67-W77 HydrophobicContact CE2-CZ3 4.21Å; F67-F90 HydrophobicContact CZ-CE2 4.39Å; F67-L96 HydrophobicContact CE1-CD1 3.79Å; F67-L96 HydrophobicContact CZ-CD1 3.8Å; F67-F99 HydrophobicContact CD2-CD1 4.19Å; F67-F99 AromaticContact CD2-CE1 3.91Å; F67-F99 HydrophobicContact CD2-CE1 3.91Å; F67-F99 HydrophobicContact CE1-CD1 4.25Å; F67-F99 AromaticContact CE2-CD1 3.68Å; F67-F99 HydrophobicContact CE2-CD1 3.68Å; F67-F99 AromaticContact CE2-CE1 3.57Å; F67-F99 HydrophobicContact CE2-CE1 3.57Å; F67-F99 AromaticContact CZ-CD1 3.7Å; F67-F99 HydrophobicContact CZ-CD1 3.7Å; F67-F99 HydrophobicContact CZ-CE1 4.1Å; F67-A100 HydrophobicContact CD1-CB 3.67Å; F67-A100 HydrophobicContact CE1-CB 3.83Å; F67-F103 HydrophobicContact CB-CB 3.98Å; F67-F103 HydrophobicContact CB-CD1 3.62Å; F67-F103 HydrophobicContact CB-CD2 3.72Å; F67-F103 HydrophobicContact CB-CE1 3.97Å; F67-F103 HydrophobicContact CB-CE2 4.04Å; F67-F103 HydrophobicContact CB-CG 3.49Å; F67-F103 VanDerWaalsContact CB-CG 3.49Å; F67-F103 HydrophobicContact CB-CZ 4.16Å; F67-F103 HydrophobicContact CD2-CD2 4.07Å; F67-F103 HydrophobicContact CD2-CE2 4.36Å; F67-F103 HydrophobicContact CG-CB 4.44Å; F67-F103 HydrophobicContact CG-CD2 4.18Å; F67-F103 HydrophobicContact CG-CG 4.23Å
68T98.3Very high97Very high70 Ų7054 Ų5443%0.42930%0.298SS..EExtended strand (participates in β ladder)trans-106.6121.6-177.6-54.20000109.6T70 G75 Q76T68-T70 HydrophobicContact CG2-CG2 3.92Å; T68-G75 CarbonylContact O-C 3.57Å; T68-G75 WeakPolarHBondContact O-CA 3.29Å; T68-Q76 PolarHBondContact N-O 3.37Å; T68-Q76 PolarHBondContact O-N 2.94Å
69K98.4Very high97Very high103 Ų10350.7 Ų50.745%0.44828%0.28SS..EExtended strand (participates in β ladder)trans-73.4123.3167.8-57.4-178-171.5178.40108.1F67 L96 S97F67-K69 HydrophobicContact CE1-CG 4.32Å; K69-L96 HydrophobicContact CB-CD2 4.29Å; K69-L96 HydrophobicContact CD-CD2 4.16Å; K69-L96 HydrophobicContact CD-CG 4.26Å; K69-L96 HydrophobicContact CG-CD1 4.32Å; K69-L96 HydrophobicContact CG-CD2 4.13Å; K69-L96 HydrophobicContact CG-CG 4.19Å; K69-S97 PolarHBondContact NZ-OG 2.83Å
70T96.8Very high96.8Very high75 Ų7555.9 Ų55.946%0.4632%0.317SS..EExtended strand (participates in β ladder)trans-118.7-5.7-179.350.90000113.7T68 F74 Q76T68-T70 HydrophobicContact CG2-CG2 3.92Å; T70-F74 PolarHBondContact N-O 3.07Å; T70-F74 WeakPolarHBondContact OG1-CD1 3.33Å; T70-Q76 HydrophobicContact CG2-CG 4.17Å; T70-Q76 VanDerWaalsContact CG2-OE1 3.31Å; T70-Q76 PolarHBondContact OG1-OE1 2.95Å
71S96.8Very high96.6Very high69 Ų6964.6 Ų64.648%0.48335%0.347SS..EExtended strand (participates in β ladder)trans-151178.3159.384.90000110.6K73 F74 L96S71-K73 PolarHBondContact O-N 3.23Å; S71-K73 VanDerWaalsContact O-N 3.08Å; S71-K73 PolarHBondContact OG-N 3.01Å; S71-F74 PolarHBondContact N-O 2.84Å; S71-F74 VanDerWaalsContact N-O 3.1Å; S71-F74 PolarHBondContact O-N 3.16Å; S71-F74 VanDerWaalsContact OG-CB 3.24Å; S71-F74 WeakPolarHBondContact OG-CB 3.4Å; S71-F74 PolarHBondContact OG-N 3.43Å; S71-F74 VanDerWaalsContact OG-N 3.16Å; S71-L96 VanDerWaalsContact O-CD2 3.25Å; S71-L96 WeakPolarHBondContact O-CD2 3.44Å
72Q95.2Very high96.4Very high122 Ų12266.6 Ų66.657%0.5736%0.364SS*.THydrogen-bonded Turntrans-54.3-27.9177.1-168.9-177.635.500113.8E93 L96Q72-E93 HydrophobicContact CG-CB 3.99Å; Q72-E93 HydrophobicContact CG-CG 4.01Å; Q72-E93 WeakPolarHBondContact CG-OE2 3.43Å; Q72-E93 PolarHBondContact NE2-OE2 2.9Å; Q72-E93 WeakPolarHBondContact O-CA 3.49Å; Q72-L96 WeakPolarHBondContact O-CD2 3.42Å
73K98.1Very high96.3Very high92 Ų9270.1 Ų70.140%0.438%0.381SS..THydrogen-bonded Turntrans-1308.7-176.3-58.9-171.5-176.3-169.30113.7S71 F90 S91S71-K73 PolarHBondContact O-N 3.23Å; S71-K73 VanDerWaalsContact O-N 3.08Å; S71-K73 PolarHBondContact OG-N 3.01Å; K73-F90 PolarHBondContact O-N 3.03Å; K73-S91 PolarHBondContact NZ-O 3.44Å
74F98.6Very high96.4Very high35 Ų3568.5 Ų68.515%0.15437%0.37CS..EExtended strand (participates in β ladder)trans-130.3136.6-178-167.1-84.7000111.7F14 W24 T70 S71 Q76 L88F14-F74 HydrophobicContact CB-CE2 4.48Å; F14-F74 HydrophobicContact CB-CZ 4.48Å; F14-F74 AromaticContact CD2-CE2 3.64Å; F14-F74 HydrophobicContact CD2-CE2 3.64Å; F14-F74 HydrophobicContact CD2-CZ 4.42Å; F14-F74 HydrophobicContact CE2-CE2 4.08Å; F14-F74 HydrophobicContact CG-CE2 4.16Å; W24-F74 AromaticContact CD2-CZ 3.99Å; W24-F74 HydrophobicContact CD2-CZ 3.99Å; W24-F74 AromaticContact CE2-CE1 3.91Å; W24-F74 AromaticContact CE2-CZ 3.83Å; W24-F74 HydrophobicContact CE3-CZ 4.22Å; W24-F74 HydrophobicContact CH2-CE1 4.19Å; W24-F74 HydrophobicContact CH2-CZ 4.14Å; W24-F74 AromaticContact CZ2-CE1 3.72Å; W24-F74 HydrophobicContact CZ2-CE1 3.72Å; W24-F74 AromaticContact CZ2-CZ 3.92Å; W24-F74 HydrophobicContact CZ2-CZ 3.92Å; W24-F74 HydrophobicContact CZ3-CZ 4.29Å; T70-F74 PolarHBondContact N-O 3.07Å; T70-F74 WeakPolarHBondContact OG1-CD1 3.33Å; S71-F74 PolarHBondContact N-O 2.84Å; S71-F74 VanDerWaalsContact N-O 3.1Å; S71-F74 PolarHBondContact O-N 3.16Å; S71-F74 VanDerWaalsContact OG-CB 3.24Å; S71-F74 WeakPolarHBondContact OG-CB 3.4Å; S71-F74 PolarHBondContact OG-N 3.43Å; S71-F74 VanDerWaalsContact OG-N 3.16Å; F74-Q76 HydrophobicContact CE1-CB 4.43Å; F74-L88 WeakPolarHBondContact CA-O 3.37Å
75G98.4Very high96.6Very high0 Ų064.1 Ų64.10%035%0.348CS..EExtended strand (participates in β ladder)trans-147.9162172.200000111.9T68 G87 L88T68-G75 CarbonylContact O-C 3.57Å; T68-G75 WeakPolarHBondContact O-CA 3.29Å; G75-G87 WeakPolarHBondContact O-CA 3.39Å; G75-L88 PolarHBondContact N-O 3.08Å; G75-L88 PolarHBondContact O-N 2.99Å
76Q98.3Very high96.7Very high48 Ų4864.3 Ų64.322%0.22435%0.348CS..EExtended strand (participates in β ladder)trans-144.1156.6-167.760.8-174.484.300112.6W24 F67 T68 T70 F74 V85 Y86W24-Q76 HydrophobicContact CH2-CB 3.79Å; W24-Q76 HydrophobicContact CZ2-CB 4.03Å; F67-Q76 CarbonylContact C-O 3.6Å; F67-Q76 WeakPolarHBondContact CA-O 3.49Å; T68-Q76 PolarHBondContact N-O 3.37Å; T68-Q76 PolarHBondContact O-N 2.94Å; T70-Q76 HydrophobicContact CG2-CG 4.17Å; T70-Q76 VanDerWaalsContact CG2-OE1 3.31Å; T70-Q76 PolarHBondContact OG1-OE1 2.95Å; F74-Q76 HydrophobicContact CE1-CB 4.43Å; Q76-V85 HydrophobicContact CB-CG1 4.44Å; Q76-Y86 CarbonylContact C-O 3.59Å; Q76-Y86 WeakPolarHBondContact CA-O 3.47Å; Q76-Y86 VanDerWaalsContact CB-O 3.3Å; Q76-Y86 WeakPolarHBondContact CB-O 3.4Å
77W98.4Very high96.7Very high3 Ų359.6 Ų59.61%0.01132%0.319CS..EExtended strand (participates in β ladder)trans-143.3150.5167.472.397.6000110.9I47 I57 S59 M65 T66 F67 V85 Y86 L88 F99 F103I47-W77 HydrophobicContact CB-CZ2 4.33Å; I47-W77 HydrophobicContact CD1-CH2 4.12Å; I47-W77 HydrophobicContact CD1-CZ2 3.74Å; I47-W77 HydrophobicContact CG2-CH2 4.13Å; I47-W77 HydrophobicContact CG2-CZ2 4.15Å; I57-W77 HydrophobicContact CD1-CH2 4.16Å; I57-W77 HydrophobicContact CG2-CH2 4.33Å; I57-W77 HydrophobicContact CG2-CZ2 3.92Å; S59-W77 PolarHBondContact OG-NE1 2.9Å; M65-W77 HydrophobicContact CE-CG 4.47Å; T66-W77 WeakPolarHBondContact O-CB 3.43Å; F67-W77 HydrophobicContact CD2-CB 4.42Å; F67-W77 AromaticContact CD2-CE3 3.74Å; F67-W77 HydrophobicContact CD2-CE3 3.74Å; F67-W77 HydrophobicContact CD2-CZ3 4.43Å; F67-W77 AromaticContact CE2-CE3 3.88Å; F67-W77 HydrophobicContact CE2-CE3 3.88Å; F67-W77 HydrophobicContact CE2-CZ3 4.21Å; W77-V85 CarbonylContact O-C 3.58Å; W77-V85 WeakPolarHBondContact O-CA 3.38Å; W77-V85 WeakPolarHBondContact O-CG1 3.34Å; W77-Y86 AromaticContact CE2-CD2 3.68Å; W77-Y86 HydrophobicContact CH2-CG 4.24Å; W77-Y86 AromaticContact CZ2-CD2 3.71Å; W77-Y86 HydrophobicContact CZ2-CD2 3.71Å; W77-Y86 AromaticContact CZ2-CG 3.77Å; W77-Y86 HydrophobicContact CZ2-CG 3.77Å; W77-Y86 PolarHBondContact N-O 3.21Å; W77-Y86 AromaticContact NE1-CD2 3.62Å; W77-Y86 PolarHBondContact O-N 3.34Å; W77-L88 HydrophobicContact CH2-CD1 4.04Å; W77-L88 HydrophobicContact CH2-CG 4.29Å; W77-L88 HydrophobicContact CZ3-CD1 3.65Å; W77-L88 HydrophobicContact CZ3-CG 3.82Å; W77-F99 HydrophobicContact CZ3-CE1 4.23Å; W77-F99 HydrophobicContact CZ3-CZ 4.34Å; W77-F103 HydrophobicContact CB-CE2 4.07Å; W77-F103 HydrophobicContact CB-CZ 4Å; W77-F103 HydrophobicContact CD2-CE2 4.03Å; W77-F103 HydrophobicContact CE3-CE2 4.49Å; W77-F103 AromaticContact CG-CE2 3.84Å; W77-F103 HydrophobicContact CG-CE2 3.84Å; W77-F103 HydrophobicContact CG-CZ 4.08Å
78A97.3Very high96.8Very high52 Ų5258.4 Ų58.443%0.4331%0.314SS..EExtended strand (participates in β ladder)trans-88.2135.2171.400000110.2V85A78-V85 HydrophobicContact CB-CG2 4.15Å
79D96.6Very high96.8Very high8 Ų855.7 Ų55.74%0.04330%0.3CS..EExtended strand (participates in β ladder)trans-115.7101.3170-174.4-30.8000108.9S59 M65 R81 A82 N83 T84 Y86S59-D79 VanDerWaalsContact CA-OD2 3.23Å; S59-D79 WeakPolarHBondContact CA-OD2 3.33Å; S59-D79 VanDerWaalsContact CB-OD2 3.23Å; S59-D79 WeakPolarHBondContact CB-OD2 3.46Å; S59-D79 PolarHBondContact OG-OD2 3.34Å; M65-D79 HydrophobicContact CE-CB 4.32Å; D79-R81 PolarHBondContact O-N 3.27Å; D79-R81 WeakPolarHBondContact OD1-CA 3.4Å; D79-R81 VanDerWaalsContact OD1-CB 3.29Å; D79-R81 WeakPolarHBondContact OD1-CB 3.49Å; D79-R81 PolarHBondContact OD1-N 2.89Å; D79-A82 HydrophobicContact CB-CB 4.09Å; D79-A82 CarbonylContact O-C 3.54Å; D79-A82 PolarHBondContact O-N 2.9Å; D79-A82 PolarHBondContact OD1-N 2.85Å; D79-N83 PolarHBondContact O-N 3.45Å; D79-T84 PolarHBondContact N-O 3.17Å; D79-T84 PolarHBondContact O-N 2.94Å; D79-Y86 HydrophobicContact CB-CD2 4.19Å; D79-Y86 HydrophobicContact CB-CE2 3.92Å
80S93.2Very high96.8Very high110 Ų11051.4 Ų51.477%0.76928%0.281SS*.THydrogen-bonded Turntrans-65.5-25.3179-53.40000113.1
81R93.3Very high96.8Very high207 Ų20751.6 Ų51.678%0.78129%0.286SS*.THydrogen-bonded Turntrans-77.5-35179.3-169.6-177.8-168.8-76.3-5.3111.4D79D79-R81 PolarHBondContact O-N 3.27Å; D79-R81 WeakPolarHBondContact OD1-CA 3.4Å; D79-R81 VanDerWaalsContact OD1-CB 3.29Å; D79-R81 WeakPolarHBondContact OD1-CB 3.49Å; D79-R81 PolarHBondContact OD1-N 2.89Å
82A92.3Very high96.8Very high47 Ų4750 Ų5039%0.38827%0.274SS..THydrogen-bonded Turntrans-89.2-5.1173.500000113.5D79 T84 Y86D79-A82 HydrophobicContact CB-CB 4.09Å; D79-A82 CarbonylContact O-C 3.54Å; D79-A82 PolarHBondContact O-N 2.9Å; D79-A82 PolarHBondContact OD1-N 2.85Å; A82-T84 HydrophobicContact CB-CG2 3.81Å; A82-T84 PolarHBondContact O-N 3.04Å; A82-Y86 HydrophobicContact CB-CE2 4.47Å
83N93.8Very high97Very high124 Ų12448.8 Ų48.866%0.66327%0.269SS*.THydrogen-bonded Turntrans51.337-176.5-16913.1000113.6K21 D79K21-N83 PolarHBondContact NZ-O 2.92Å; D79-N83 PolarHBondContact O-N 3.45Å
84T95.3Very high96.9Very high13 Ų1348.5 Ų48.58%0.0828%0.278CS..EExtended strand (participates in β ladder)trans-139.1164.5-176.3-166.20000110.8Q15 D79 A82 Y86Q15-T84 PolarHBondContact OE1-OG1 3.05Å; D79-T84 PolarHBondContact N-O 3.17Å; D79-T84 PolarHBondContact O-N 2.94Å; A82-T84 HydrophobicContact CB-CG2 3.81Å; A82-T84 PolarHBondContact O-N 3.04Å; T84-Y86 HydrophobicContact CG2-CD1 4.43Å; T84-Y86 HydrophobicContact CG2-CD2 3.97Å; T84-Y86 HydrophobicContact CG2-CE1 3.96Å; T84-Y86 HydrophobicContact CG2-CE2 3.45Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.45Å; T84-Y86 HydrophobicContact CG2-CG 4.44Å; T84-Y86 VanDerWaalsContact CG2-CZ 3.44Å
85V97.5Very high96.9Very high33 Ų3350.6 Ų50.620%0.229%0.288CS..EExtended strand (participates in β ladder)trans-119.6118.5171.8-176.90000106.7Q15 I16 W24 Q76 W77 A78Q15-V85 VanDerWaalsContact CA-O 3.29Å; Q15-V85 WeakPolarHBondContact CA-O 3.5Å; I16-V85 HydrophobicContact CB-CB 4.14Å; I16-V85 HydrophobicContact CD1-CB 3.75Å; I16-V85 HydrophobicContact CD1-CG1 3.94Å; I16-V85 HydrophobicContact CD1-CG2 4.05Å; I16-V85 HydrophobicContact CG1-CB 3.9Å; I16-V85 HydrophobicContact CG1-CG1 4.31Å; I16-V85 PolarHBondContact N-O 3.33Å; W24-V85 HydrophobicContact CH2-CG1 3.96Å; Q76-V85 HydrophobicContact CB-CG1 4.44Å; W77-V85 CarbonylContact O-C 3.58Å; W77-V85 WeakPolarHBondContact O-CA 3.38Å; W77-V85 WeakPolarHBondContact O-CG1 3.34Å; A78-V85 HydrophobicContact CB-CG2 4.15Å
86Y98.4Very high96.9Very high16 Ų1650.7 Ų50.76%0.06329%0.289CS..EExtended strand (participates in β ladder)trans-88.9143177.6-65.1-75.9000110Q15 I57 Q76 W77 D79 A82 T84Q15-Y86 HydrophobicContact CG-CD1 3.59Å; Q15-Y86 HydrophobicContact CG-CE1 3.86Å; I57-Y86 HydrophobicContact CB-CE1 4.34Å; I57-Y86 HydrophobicContact CG1-CD1 3.97Å; I57-Y86 HydrophobicContact CG1-CE1 4.08Å; I57-Y86 HydrophobicContact CG2-CD1 4.32Å; I57-Y86 HydrophobicContact CG2-CE1 4.2Å; I57-Y86 HydrophobicContact CG2-CE2 4.44Å; Q76-Y86 CarbonylContact C-O 3.59Å; Q76-Y86 WeakPolarHBondContact CA-O 3.47Å; Q76-Y86 VanDerWaalsContact CB-O 3.3Å; Q76-Y86 WeakPolarHBondContact CB-O 3.4Å; W77-Y86 AromaticContact CE2-CD2 3.68Å; W77-Y86 HydrophobicContact CH2-CG 4.24Å; W77-Y86 AromaticContact CZ2-CD2 3.71Å; W77-Y86 HydrophobicContact CZ2-CD2 3.71Å; W77-Y86 AromaticContact CZ2-CG 3.77Å; W77-Y86 HydrophobicContact CZ2-CG 3.77Å; W77-Y86 PolarHBondContact N-O 3.21Å; W77-Y86 AromaticContact NE1-CD2 3.62Å; W77-Y86 PolarHBondContact O-N 3.34Å; D79-Y86 HydrophobicContact CB-CD2 4.19Å; D79-Y86 HydrophobicContact CB-CE2 3.92Å; A82-Y86 HydrophobicContact CB-CE2 4.47Å; T84-Y86 HydrophobicContact CG2-CD1 4.43Å; T84-Y86 HydrophobicContact CG2-CD2 3.97Å; T84-Y86 HydrophobicContact CG2-CE1 3.96Å; T84-Y86 HydrophobicContact CG2-CE2 3.45Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.45Å; T84-Y86 HydrophobicContact CG2-CG 4.44Å; T84-Y86 VanDerWaalsContact CG2-CZ 3.44Å
87G98.3Very high96.9Very high0 Ų049.7 Ų49.70%029%0.287CS..EExtended strand (participates in β ladder)trans-130.9142.717500000110.7F14 G75F14-G87 PolarHBondContact N-O 3.03Å; F14-G87 PolarHBondContact O-N 3.37Å; G75-G87 WeakPolarHBondContact O-CA 3.39Å
88L98.7Very high96.9Very high0 Ų054 Ų540%031%0.306CS..EExtended strand (participates in β ladder)trans-127.6122.2-178.3-66.2179.7000110.8A11 H12 V13 V34 I57 F74 G75 W77 F90 F99A11-L88 HydrophobicContact CB-CB 4.12Å; A11-L88 HydrophobicContact CB-CD2 4.09Å; H12-L88 WeakPolarHBondContact O-CA 3.39Å; V13-L88 HydrophobicContact CB-CD2 4.39Å; V13-L88 HydrophobicContact CG2-CD2 3.75Å; V34-L88 HydrophobicContact CG1-CD1 4.11Å; V34-L88 HydrophobicContact CG2-CD2 3.95Å; I57-L88 HydrophobicContact CD1-CD2 3.94Å; F74-L88 WeakPolarHBondContact CA-O 3.37Å; G75-L88 PolarHBondContact N-O 3.08Å; G75-L88 PolarHBondContact O-N 2.99Å; W77-L88 HydrophobicContact CH2-CD1 4.04Å; W77-L88 HydrophobicContact CH2-CG 4.29Å; W77-L88 HydrophobicContact CZ3-CD1 3.65Å; W77-L88 HydrophobicContact CZ3-CG 3.82Å; L88-F90 HydrophobicContact CB-CD2 4.3Å; L88-F90 HydrophobicContact CB-CE2 3.49Å; L88-F90 VanDerWaalsContact CB-CE2 3.49Å; L88-F90 HydrophobicContact CB-CZ 3.63Å; L88-F90 HydrophobicContact CD1-CE2 4.39Å; L88-F90 HydrophobicContact CD1-CZ 3.73Å; L88-F90 HydrophobicContact CG-CZ 4.34Å; L88-F99 HydrophobicContact CD1-CD1 4.2Å; L88-F99 HydrophobicContact CD1-CD2 4.43Å; L88-F99 HydrophobicContact CD1-CE1 3.62Å; L88-F99 HydrophobicContact CD1-CE2 3.88Å; L88-F99 HydrophobicContact CD1-CZ 3.43Å; L88-F99 VanDerWaalsContact CD1-CZ 3.43Å
89G98.4Very high97Very high13 Ų1351.6 Ų51.613%0.13429%0.286CS..EExtended strand (participates in β ladder)trans-98.7113.2171.400000111.6A11 H12A11-G89 CarbonylContact C-O 3.6Å; A11-G89 WeakPolarHBondContact CA-O 3.35Å; H12-G89 PolarHBondContact N-O 3.45Å; H12-G89 PolarHBondContact O-N 2.95Å
90F98.6Very high97.1Very high12 Ų1252.1 Ų52.15%0.05329%0.291CS..EExtended strand (participates in β ladder)trans-95.5160.5-177-60.8-88.8000112.4T9 A11 F67 K73 L88 H95 L96 F99T9-F90 HydrophobicContact CG2-CE1 3.89Å; A11-F90 HydrophobicContact CB-CD1 3.89Å; A11-F90 HydrophobicContact CB-CE1 3.87Å; A11-F90 HydrophobicContact CB-CG 4.41Å; A11-F90 HydrophobicContact CB-CZ 4.38Å; F67-F90 HydrophobicContact CZ-CE2 4.39Å; K73-F90 PolarHBondContact O-N 3.03Å; L88-F90 HydrophobicContact CB-CD2 4.3Å; L88-F90 HydrophobicContact CB-CE2 3.49Å; L88-F90 VanDerWaalsContact CB-CE2 3.49Å; L88-F90 HydrophobicContact CB-CZ 3.63Å; L88-F90 HydrophobicContact CD1-CE2 4.39Å; L88-F90 HydrophobicContact CD1-CZ 3.73Å; L88-F90 HydrophobicContact CG-CZ 4.34Å; F90-H95 HydrophobicContact CB-CB 4.07Å; F90-H95 HydrophobicContact CD1-CB 3.94Å; F90-H95 HydrophobicContact CG-CB 4.3Å; F90-L96 HydrophobicContact CB-CB 4.45Å; F90-L96 HydrophobicContact CD2-CB 3.76Å; F90-L96 HydrophobicContact CD2-CD1 3.66Å; F90-L96 HydrophobicContact CD2-CG 4.31Å; F90-L96 HydrophobicContact CE2-CB 4.29Å; F90-L96 HydrophobicContact CE2-CD1 3.53Å; F90-L96 HydrophobicContact CG-CB 4.21Å; F90-F99 HydrophobicContact CE1-CB 3.87Å; F90-F99 HydrophobicContact CE1-CD2 4.23Å; F90-F99 HydrophobicContact CE1-CG 4.04Å; F90-F99 HydrophobicContact CZ-CB 3.63Å; F90-F99 AromaticContact CZ-CD1 3.88Å; F90-F99 HydrophobicContact CZ-CD1 3.88Å; F90-F99 HydrophobicContact CZ-CD2 4.09Å; F90-F99 AromaticContact CZ-CG 3.58Å; F90-F99 HydrophobicContact CZ-CG 3.58Å
91S97.8Very high97.3Very high79 Ų7951.4 Ų51.455%0.55228%0.276SS*.SBendtrans-72.9-31.3176.252.40000113.6K73 H95K73-S91 PolarHBondContact NZ-O 3.44Å; S91-H95 PolarHBondContact OG-ND1 3.35Å
92S97.4Very high97.5Very high35 Ų3543.5 Ų43.525%0.24525%0.247CC..SBendtrans-138.1157.9-177.571.50000111.7S94 H95 L96S92-S94 VanDerWaalsContact C-N 3.29Å; S92-S94 PolarHBondContact O-N 2.95Å; S92-H95 PolarHBondContact O-N 2.82Å; S92-H95 VanDerWaalsContact OG-CG 3.27Å; S92-H95 PolarHBondContact OG-N 3.05Å; S92-H95 PolarHBondContact OG-ND1 3.04Å; S92-L96 PolarHBondContact O-N 3.5Å
93E97.8Very high97.8Very high98 Ų9841.5 Ų41.546%0.45823%0.23SC..Hα-helixtrans-63.3-36.2173.1-175.4173.117300112Q72 H95 L96 S97Q72-E93 HydrophobicContact CG-CB 3.99Å; Q72-E93 HydrophobicContact CG-CG 4.01Å; Q72-E93 WeakPolarHBondContact CG-OE2 3.43Å; Q72-E93 PolarHBondContact NE2-OE2 2.9Å; Q72-E93 WeakPolarHBondContact O-CA 3.49Å; E93-H95 VanDerWaalsContact C-N 3.33Å; E93-H95 PolarHBondContact O-N 2.84Å; E93-L96 PolarHBondContact O-N 2.96Å; E93-S97 PolarHBondContact O-N 3.49Å; E93-S97 PolarHBondContact O-OG 3.46Å
94S97.6Very high98Very high85 Ų8538 Ų3859%0.59422%0.218SC*.Hα-helixtrans-57.3-44.2174.51760000111.8S92 S97 K98S92-S94 VanDerWaalsContact C-N 3.29Å; S92-S94 PolarHBondContact O-N 2.95Å; S94-S97 PolarHBondContact O-N 3.44Å; S94-K98 WeakPolarHBondContact O-CB 3.46Å; S94-K98 PolarHBondContact O-N 3.31Å
95H98.2Very high98.1Very high79 Ų7941.8 Ų41.837%0.36624%0.235SC..Hα-helixtrans-65.9-38.9176.6-67.3152.8000112.9F90 S91 S92 E93 F99F90-H95 HydrophobicContact CB-CB 4.07Å; F90-H95 HydrophobicContact CD1-CB 3.94Å; F90-H95 HydrophobicContact CG-CB 4.3Å; S91-H95 PolarHBondContact OG-ND1 3.35Å; S92-H95 PolarHBondContact O-N 2.82Å; S92-H95 VanDerWaalsContact OG-CG 3.27Å; S92-H95 PolarHBondContact OG-N 3.05Å; S92-H95 PolarHBondContact OG-ND1 3.04Å; E93-H95 VanDerWaalsContact C-N 3.33Å; E93-H95 PolarHBondContact O-N 2.84Å; H95-F99 WeakPolarHBondContact O-CB 3.4Å; H95-F99 PolarHBondContact O-N 3.33Å
96L98.5Very high98.1Very high2 Ų240.5 Ų40.51%0.0123%0.227CC..Hα-helixtrans-62.4-47.6173.6172.767000111.3F67 K69 S71 Q72 F90 S92 E93 F99 A100F67-L96 HydrophobicContact CE1-CD1 3.79Å; F67-L96 HydrophobicContact CZ-CD1 3.8Å; K69-L96 HydrophobicContact CB-CD2 4.29Å; K69-L96 HydrophobicContact CD-CD2 4.16Å; K69-L96 HydrophobicContact CD-CG 4.26Å; K69-L96 HydrophobicContact CG-CD1 4.32Å; K69-L96 HydrophobicContact CG-CD2 4.13Å; K69-L96 HydrophobicContact CG-CG 4.19Å; S71-L96 VanDerWaalsContact O-CD2 3.25Å; S71-L96 WeakPolarHBondContact O-CD2 3.44Å; Q72-L96 WeakPolarHBondContact O-CD2 3.42Å; F90-L96 HydrophobicContact CB-CB 4.45Å; F90-L96 HydrophobicContact CD2-CB 3.76Å; F90-L96 HydrophobicContact CD2-CD1 3.66Å; F90-L96 HydrophobicContact CD2-CG 4.31Å; F90-L96 HydrophobicContact CE2-CB 4.29Å; F90-L96 HydrophobicContact CE2-CD1 3.53Å; F90-L96 HydrophobicContact CG-CB 4.21Å; S92-L96 PolarHBondContact O-N 3.5Å; E93-L96 PolarHBondContact O-N 2.96Å; L96-F99 PolarHBondContact O-N 3.4Å; L96-A100 WeakPolarHBondContact O-CB 3.48Å; L96-A100 PolarHBondContact O-N 3.36Å
97S98.1Very high98Very high27 Ų2742.4 Ų42.419%0.18924%0.235CC..Hα-helixtrans-64.6-44.3-179.9-720000111.8K69 E93 S94 F99 A100 E101K69-S97 PolarHBondContact NZ-OG 2.83Å; E93-S97 PolarHBondContact O-N 3.49Å; E93-S97 PolarHBondContact O-OG 3.46Å; S94-S97 PolarHBondContact O-N 3.44Å; S97-F99 VanDerWaalsContact C-N 3.33Å; S97-F99 PolarHBondContact O-N 3.02Å; S97-A100 WeakPolarHBondContact O-CB 3.32Å; S97-A100 PolarHBondContact O-N 3.27Å; S97-A100 VanDerWaalsContact O-N 3.13Å; S97-E101 WeakPolarHBondContact O-CG 3.42Å; S97-E101 PolarHBondContact O-N 3.07Å
98K98.3Very high97.9Very high95 Ų9545.8 Ų45.841%0.41325%0.251SS..Hα-helixtrans-63.4-36.9176.1-159.574.8-155.1161.40112.8F7 S94 E101 K102F7-K98 HydrophobicContact CE2-CG 4.08Å; F7-K98 HydrophobicContact CZ-CG 4.11Å; S94-K98 WeakPolarHBondContact O-CB 3.46Å; S94-K98 PolarHBondContact O-N 3.31Å; K98-E101 WeakPolarHBondContact CD-OE2 3.37Å; K98-E101 WeakPolarHBondContact CE-OE2 3.38Å; K98-E101 IonicContact NZ-OE2 3.96Å; K98-E101 PolarHBondContact NZ-OE2 3.19Å; K98-K102 PolarHBondContact O-N 2.89Å; K98-K102 VanDerWaalsContact O-N 3.08Å
99F98.5Very high97.8Very high0 Ų046.9 Ų46.90%026%0.26CS..Hα-helixtrans-66.5-38.8174.1-172.8-89.8000112.1F7 T9 V34 Y36 I47 F67 W77 L88 F90 H95 L96 S97 K102 F103F7-F99 HydrophobicContact CE1-CD2 4.38Å; T9-F99 HydrophobicContact CG2-CD2 3.72Å; T9-F99 HydrophobicContact CG2-CE2 4.35Å; V34-F99 HydrophobicContact CG1-CE2 3.95Å; V34-F99 HydrophobicContact CG1-CZ 4.32Å; Y36-F99 HydrophobicContact CD2-CE2 4.4Å; Y36-F99 AromaticContact CE2-CD2 3.74Å; Y36-F99 HydrophobicContact CE2-CD2 3.74Å; Y36-F99 AromaticContact CE2-CE2 3.44Å; Y36-F99 HydrophobicContact CE2-CE2 3.44Å; Y36-F99 VanDerWaalsContact CE2-CE2 3.44Å; Y36-F99 AromaticContact CE2-CZ 3.97Å; Y36-F99 HydrophobicContact CE2-CZ 3.97Å; Y36-F99 AromaticContact CZ-CE2 3.75Å; Y36-F99 AromaticContact CZ-CZ 3.76Å; Y36-F99 VanDerWaalsContact OH-CE1 3.31Å; Y36-F99 WeakPolarHBondContact OH-CE1 3.47Å; Y36-F99 VanDerWaalsContact OH-CZ 3.23Å; Y36-F99 WeakPolarHBondContact OH-CZ 3.45Å; Y36-F99 PolarHBondContact OH-O 2.69Å; I47-F99 HydrophobicContact CD1-CZ 4.22Å; I47-F99 HydrophobicContact CG2-CZ 4.36Å; F67-F99 HydrophobicContact CD2-CD1 4.19Å; F67-F99 AromaticContact CD2-CE1 3.91Å; F67-F99 HydrophobicContact CD2-CE1 3.91Å; F67-F99 HydrophobicContact CE1-CD1 4.25Å; F67-F99 AromaticContact CE2-CD1 3.68Å; F67-F99 HydrophobicContact CE2-CD1 3.68Å; F67-F99 AromaticContact CE2-CE1 3.57Å; F67-F99 HydrophobicContact CE2-CE1 3.57Å; F67-F99 AromaticContact CZ-CD1 3.7Å; F67-F99 HydrophobicContact CZ-CD1 3.7Å; F67-F99 HydrophobicContact CZ-CE1 4.1Å; W77-F99 HydrophobicContact CZ3-CE1 4.23Å; W77-F99 HydrophobicContact CZ3-CZ 4.34Å; L88-F99 HydrophobicContact CD1-CD1 4.2Å; L88-F99 HydrophobicContact CD1-CD2 4.43Å; L88-F99 HydrophobicContact CD1-CE1 3.62Å; L88-F99 HydrophobicContact CD1-CE2 3.88Å; L88-F99 HydrophobicContact CD1-CZ 3.43Å; L88-F99 VanDerWaalsContact CD1-CZ 3.43Å; F90-F99 HydrophobicContact CE1-CB 3.87Å; F90-F99 HydrophobicContact CE1-CD2 4.23Å; F90-F99 HydrophobicContact CE1-CG 4.04Å; F90-F99 HydrophobicContact CZ-CB 3.63Å; F90-F99 AromaticContact CZ-CD1 3.88Å; F90-F99 HydrophobicContact CZ-CD1 3.88Å; F90-F99 HydrophobicContact CZ-CD2 4.09Å; F90-F99 AromaticContact CZ-CG 3.58Å; F90-F99 HydrophobicContact CZ-CG 3.58Å; H95-F99 WeakPolarHBondContact O-CB 3.4Å; H95-F99 PolarHBondContact O-N 3.33Å; L96-F99 PolarHBondContact O-N 3.4Å; S97-F99 VanDerWaalsContact C-N 3.33Å; S97-F99 PolarHBondContact O-N 3.02Å; F99-K102 PolarHBondContact O-N 3.03Å; F99-F103 HydrophobicContact CE1-CD2 4.31Å; F99-F103 PolarHBondContact O-N 3Å
100A98.4Very high97.5Very high19 Ų1946.7 Ų46.716%0.15726%0.257CS..Hα-helixtrans-67.7-41.3176.900000112.6F67 L96 S97 F103 A104F67-A100 HydrophobicContact CD1-CB 3.67Å; F67-A100 HydrophobicContact CE1-CB 3.83Å; L96-A100 WeakPolarHBondContact O-CB 3.48Å; L96-A100 PolarHBondContact O-N 3.36Å; S97-A100 WeakPolarHBondContact O-CB 3.32Å; S97-A100 PolarHBondContact O-N 3.27Å; S97-A100 VanDerWaalsContact O-N 3.13Å; A100-F103 WeakPolarHBondContact O-CB 3.3Å; A100-F103 PolarHBondContact O-N 3.23Å; A100-A104 PolarHBondContact O-N 3.3Å
101E98.1Very high97.3Very high95 Ų9550.3 Ų50.344%0.44427%0.27SS..Hα-helixtrans-56.4-50.8171.1-72.2162-139.500110.8S97 K98 F103 A104 E105S97-E101 WeakPolarHBondContact O-CG 3.42Å; S97-E101 PolarHBondContact O-N 3.07Å; K98-E101 WeakPolarHBondContact CD-OE2 3.37Å; K98-E101 WeakPolarHBondContact CE-OE2 3.38Å; K98-E101 IonicContact NZ-OE2 3.96Å; K98-E101 PolarHBondContact NZ-OE2 3.19Å; E101-F103 VanDerWaalsContact C-N 3.3Å; E101-F103 PolarHBondContact O-N 2.91Å; E101-A104 PolarHBondContact O-N 2.9Å; E101-A104 VanDerWaalsContact O-N 3.13Å; E101-E105 PolarHBondContact O-N 3.05Å
102K98.1Very high97.1Very high42 Ų4251.1 Ų51.118%0.18327%0.268CS..Hα-helixtrans-63.6-33.2177.3-74-56.2-171.9-170.60112.9F7 Y36 K98 F99 E105 F106F7-K102 HydrophobicContact CB-CG 4.48Å; F7-K102 HydrophobicContact CD1-CG 4.32Å; F7-K102 HydrophobicContact CD2-CG 3.91Å; F7-K102 HydrophobicContact CE2-CG 4.16Å; F7-K102 HydrophobicContact CG-CG 3.98Å; F7-K102 HydrophobicContact CZ-CG 4.45Å; Y36-K102 HydrophobicContact CD2-CB 4.43Å; Y36-K102 HydrophobicContact CE2-CB 3.93Å; K98-K102 PolarHBondContact O-N 2.89Å; K98-K102 VanDerWaalsContact O-N 3.08Å; F99-K102 PolarHBondContact O-N 3.03Å; K102-E105 VanDerWaalsContact CD-OE2 3.29Å; K102-E105 WeakPolarHBondContact CD-OE2 3.37Å; K102-E105 WeakPolarHBondContact CE-OE2 3.36Å; K102-E105 IonicContact NZ-OE1 3.75Å; K102-E105 PolarHBondContact NZ-OE1 3.19Å; K102-E105 IonicContact NZ-OE2 3.71Å; K102-E105 PolarHBondContact NZ-OE2 2.76Å; K102-E105 PolarHBondContact O-N 2.81Å; K102-F106 HydrophobicContact CB-CD2 4.18Å; K102-F106 HydrophobicContact CB-CE2 3.94Å; K102-F106 HydrophobicContact CD-CE2 3.95Å; K102-F106 HydrophobicContact CD-CZ 4.22Å; K102-F106 HydrophobicContact CG-CE2 4.33Å; K102-F106 WeakPolarHBondContact O-CB 3.48Å; K102-F106 WeakPolarHBondContact O-CD2 3.35Å; K102-F106 WeakPolarHBondContact O-CG 3.41Å; K102-F106 PolarHBondContact O-N 3.41Å
103F98.4Very high96.7Very high4 Ų450 Ų502%0.01826%0.26CS..Hα-helixtrans-61.6-44.6172.8-162-77.2000111.3Y36 I47 M65 F67 W77 F99 A100 E101 K107Y36-F103 WeakPolarHBondContact OH-CA 3.39Å; Y36-F103 WeakPolarHBondContact OH-CB 3.45Å; Y36-F103 WeakPolarHBondContact OH-CD2 3.43Å; Y36-F103 PolarHBondContact OH-N 2.97Å; I47-F103 HydrophobicContact CD1-CD2 3.79Å; I47-F103 HydrophobicContact CD1-CE2 3.58Å; M65-F103 HydrophobicContact CB-CE1 4.16Å; M65-F103 HydrophobicContact CB-CZ 4.03Å; F67-F103 HydrophobicContact CB-CB 3.98Å; F67-F103 HydrophobicContact CB-CD1 3.62Å; F67-F103 HydrophobicContact CB-CD2 3.72Å; F67-F103 HydrophobicContact CB-CE1 3.97Å; F67-F103 HydrophobicContact CB-CE2 4.04Å; F67-F103 HydrophobicContact CB-CG 3.49Å; F67-F103 VanDerWaalsContact CB-CG 3.49Å; F67-F103 HydrophobicContact CB-CZ 4.16Å; F67-F103 HydrophobicContact CD2-CD2 4.07Å; F67-F103 HydrophobicContact CD2-CE2 4.36Å; F67-F103 HydrophobicContact CG-CB 4.44Å; F67-F103 HydrophobicContact CG-CD2 4.18Å; F67-F103 HydrophobicContact CG-CG 4.23Å; W77-F103 HydrophobicContact CB-CE2 4.07Å; W77-F103 HydrophobicContact CB-CZ 4Å; W77-F103 HydrophobicContact CD2-CE2 4.03Å; W77-F103 HydrophobicContact CE3-CE2 4.49Å; W77-F103 AromaticContact CG-CE2 3.84Å; W77-F103 HydrophobicContact CG-CE2 3.84Å; W77-F103 HydrophobicContact CG-CZ 4.08Å; F99-F103 HydrophobicContact CE1-CD2 4.31Å; F99-F103 PolarHBondContact O-N 3Å; A100-F103 WeakPolarHBondContact O-CB 3.3Å; A100-F103 PolarHBondContact O-N 3.23Å; E101-F103 VanDerWaalsContact C-N 3.3Å; E101-F103 PolarHBondContact O-N 2.91Å; F103-K107 WeakPolarHBondContact O-CB 3.38Å; F103-K107 PolarHBondContact O-N 3.26Å
104A97.9Very high96.3Very high51 Ų5151.8 Ų51.842%0.42127%0.267SS..Hα-helixtrans-65.1-45.6177.700000112.1A100 E101 K107 E108A100-A104 PolarHBondContact O-N 3.3Å; E101-A104 PolarHBondContact O-N 2.9Å; E101-A104 VanDerWaalsContact O-N 3.13Å; A104-K107 PolarHBondContact O-N 3.02Å; A104-E108 PolarHBondContact O-N 2.74Å; A104-E108 VanDerWaalsContact O-N 3.1Å
105E97.5Very high95.8Very high92 Ų9251.9 Ų51.943%0.4326%0.258SS..Hα-helixtrans-55.5-52.2175.7-176.1-175.712600111.8E101 K102 K107 E108 A109E101-E105 PolarHBondContact O-N 3.05Å; K102-E105 VanDerWaalsContact CD-OE2 3.29Å; K102-E105 WeakPolarHBondContact CD-OE2 3.37Å; K102-E105 WeakPolarHBondContact CE-OE2 3.36Å; K102-E105 IonicContact NZ-OE1 3.75Å; K102-E105 PolarHBondContact NZ-OE1 3.19Å; K102-E105 IonicContact NZ-OE2 3.71Å; K102-E105 PolarHBondContact NZ-OE2 2.76Å; K102-E105 PolarHBondContact O-N 2.81Å; E105-K107 VanDerWaalsContact C-N 3.32Å; E105-K107 PolarHBondContact O-N 3.02Å; E105-E108 PolarHBondContact O-N 3.32Å; E105-A109 PolarHBondContact O-N 2.87Å
106F96.8Very high95.1Very high7 Ų755.5 Ų55.53%0.03127%0.272CS..Hα-helixtrans-74.4-20.2-179.2-62.4-51.6000113.7I6 F7 Y36 Y45 I61 K102 A110I6-F106 HydrophobicContact CB-CE1 4.32Å; I6-F106 HydrophobicContact CB-CZ 3.92Å; I6-F106 HydrophobicContact CD1-CD1 4.32Å; I6-F106 HydrophobicContact CD1-CE1 3.72Å; I6-F106 HydrophobicContact CD1-CZ 4.06Å; I6-F106 HydrophobicContact CG2-CE1 3.93Å; I6-F106 HydrophobicContact CG2-CZ 3.72Å; F7-F106 HydrophobicContact CB-CE2 4.3Å; Y36-F106 VanDerWaalsContact CB-CE2 3.49Å; Y36-F106 HydrophobicContact CD1-CB 4.28Å; Y36-F106 AromaticContact CD1-CD2 3.23Å; Y36-F106 HydrophobicContact CD1-CD2 3.23Å; Y36-F106 AromaticContact CD1-CE2 3.83Å; Y36-F106 HydrophobicContact CD1-CE2 3.83Å; Y36-F106 HydrophobicContact CD1-CG 4.04Å; Y36-F106 AromaticContact CD2-CD2 3.95Å; Y36-F106 HydrophobicContact CD2-CD2 3.95Å; Y36-F106 AromaticContact CD2-CE2 3.77Å; Y36-F106 HydrophobicContact CD2-CE2 3.77Å; Y36-F106 HydrophobicContact CE1-CB 4.48Å; Y36-F106 AromaticContact CE1-CD2 3.68Å; Y36-F106 HydrophobicContact CE1-CD2 3.68Å; Y36-F106 HydrophobicContact CE1-CE2 4.46Å; Y36-F106 HydrophobicContact CE2-CD2 4.33Å; Y36-F106 HydrophobicContact CE2-CE2 4.41Å; Y36-F106 AromaticContact CG-CD2 3.38Å; Y36-F106 HydrophobicContact CG-CD2 3.38Å; Y36-F106 AromaticContact CG-CE2 3.43Å; Y36-F106 HydrophobicContact CG-CE2 3.43Å; Y36-F106 VanDerWaalsContact CG-CE2 3.43Å; Y36-F106 HydrophobicContact CG-CG 4.44Å; Y45-F106 HydrophobicContact CD1-CB 4.27Å; Y45-F106 AromaticContact CD1-CD1 3.58Å; Y45-F106 HydrophobicContact CD1-CD1 3.58Å; Y45-F106 HydrophobicContact CD1-CE1 4.28Å; Y45-F106 HydrophobicContact CD1-CG 4.15Å; Y45-F106 AromaticContact CE1-CD1 3.71Å; Y45-F106 HydrophobicContact CE1-CD1 3.71Å; Y45-F106 HydrophobicContact CE1-CE1 4.16Å; Y45-F106 HydrophobicContact CG-CB 4.35Å; Y45-F106 HydrophobicContact CG-CD1 4.43Å; I61-F106 HydrophobicContact CD1-CB 3.81Å; K102-F106 HydrophobicContact CB-CD2 4.18Å; K102-F106 HydrophobicContact CB-CE2 3.94Å; K102-F106 HydrophobicContact CD-CE2 3.95Å; K102-F106 HydrophobicContact CD-CZ 4.22Å; K102-F106 HydrophobicContact CG-CE2 4.33Å; K102-F106 WeakPolarHBondContact O-CB 3.48Å; K102-F106 WeakPolarHBondContact O-CD2 3.35Å; K102-F106 WeakPolarHBondContact O-CG 3.41Å; K102-F106 PolarHBondContact O-N 3.41Å; F106-A110 VanDerWaalsContact O-CB 3.24Å; F106-A110 WeakPolarHBondContact O-CB 3.32Å; F106-A110 PolarHBondContact O-N 2.97Å
107K96.7Very high94.1Very high55 Ų5557.7 Ų57.724%0.23929%0.288CS..Hα-helixtrans-69.9-43.1170.9-173.8-151.566.7154.30111.3I61 M65 F103 A104 E105 A110 R111I61-K107 HydrophobicContact CG2-CB 4.13Å; M65-K107 WeakPolarHBondContact O-CD 3.42Å; F103-K107 WeakPolarHBondContact O-CB 3.38Å; F103-K107 PolarHBondContact O-N 3.26Å; A104-K107 PolarHBondContact O-N 3.02Å; E105-K107 VanDerWaalsContact C-N 3.32Å; E105-K107 PolarHBondContact O-N 3.02Å; K107-A110 PolarHBondContact O-N 3.11Å; K107-R111 PolarHBondContact O-N 3.35Å; K107-R111 VanDerWaalsContact O-N 3.09Å
108E96.9Very high92.7Very high72 Ų7261.2 Ų61.234%0.33630%0.302SS..Hα-helixtrans-70.2-38.7173.4-66.4-50.513400112.1A104 E105 A110 R111 L112A104-E108 PolarHBondContact O-N 2.74Å; A104-E108 VanDerWaalsContact O-N 3.1Å; E105-E108 PolarHBondContact O-N 3.32Å; E108-A110 VanDerWaalsContact C-N 3.28Å; E108-A110 PolarHBondContact O-N 3.46Å; E108-R111 WeakPolarHBondContact O-CB 3.37Å; E108-R111 PolarHBondContact O-N 2.99Å; E108-R111 VanDerWaalsContact O-N 3.08Å; E108-R111 IonicContact OE2-CZ 2.65Å; E108-R111 IonicContact OE2-NE 2.68Å; E108-R111 PolarHBondContact OE2-NE 3.08Å; E108-R111 IonicContact OE2-NH2 2.68Å; E108-L112 PolarHBondContact O-N 3.33Å
109A95.1Very high91.1Very high23 Ų2362.4 Ų62.419%0.1931%0.308CS..Hα-helixtrans-60.8-37.3172.200000112.3Y45 E105 L112 A113Y45-A109 HydrophobicContact CD2-CB 4.11Å; Y45-A109 HydrophobicContact CE1-CB 4.28Å; Y45-A109 HydrophobicContact CE2-CB 3.48Å; Y45-A109 VanDerWaalsContact CE2-CB 3.48Å; E105-A109 PolarHBondContact O-N 2.87Å; A109-L112 PolarHBondContact O-N 2.81Å; A109-A113 VanDerWaalsContact O-CB 3.3Å; A109-A113 WeakPolarHBondContact O-CB 3.49Å; A109-A113 PolarHBondContact O-N 2.83Å
110A93.7Very high89.2Confident8 Ų870.6 Ų70.67%0.06634%0.344CS..Hα-helixtrans-67.6-30.9173.200000113.3Y45 I61 F106 K107 E108 K114Y45-A110 HydrophobicContact CD2-CB 4.13Å; I61-A110 HydrophobicContact CG2-CB 4.38Å; F106-A110 VanDerWaalsContact O-CB 3.24Å; F106-A110 WeakPolarHBondContact O-CB 3.32Å; F106-A110 PolarHBondContact O-N 2.97Å; K107-A110 PolarHBondContact O-N 3.11Å; E108-A110 VanDerWaalsContact C-N 3.28Å; E108-A110 PolarHBondContact O-N 3.46Å; A110-K114 WeakPolarHBondContact O-CB 3.36Å; A110-K114 PolarHBondContact O-N 2.9Å; A110-K114 VanDerWaalsContact O-N 3.12Å
111R94.5Very high87.3Confident88 Ų8874.5 Ų74.533%0.33237%0.366SS..Hα-helixtrans-64.2-52.6171.8-173.6-174.462.973.83.6110.6P63 K107 E108 A113 K114 E115P63-R111 HydrophobicContact CB-CB 4.16Å; P63-R111 HydrophobicContact CB-CG 4.42Å; P63-R111 HydrophobicContact CG-CB 3.91Å; P63-R111 HydrophobicContact CG-CG 4.33Å; K107-R111 PolarHBondContact O-N 3.35Å; K107-R111 VanDerWaalsContact O-N 3.09Å; E108-R111 WeakPolarHBondContact O-CB 3.37Å; E108-R111 PolarHBondContact O-N 2.99Å; E108-R111 VanDerWaalsContact O-N 3.08Å; E108-R111 IonicContact OE2-CZ 2.65Å; E108-R111 IonicContact OE2-NE 2.68Å; E108-R111 PolarHBondContact OE2-NE 3.08Å; E108-R111 IonicContact OE2-NH2 2.68Å; R111-A113 PolarHBondContact O-N 3.13Å; R111-K114 WeakPolarHBondContact O-CB 3.41Å; R111-K114 PolarHBondContact O-N 3.45Å; R111-K114 VanDerWaalsContact O-N 3.15Å; R111-E115 WeakPolarHBondContact CG-OE1 3.43Å; R111-E115 IonicContact CZ-OE1 2.83Å; R111-E115 IonicContact CZ-OE2 2.71Å; R111-E115 IonicContact NH1-OE1 3.43Å; R111-E115 PolarHBondContact NH1-OE1 2.87Å; R111-E115 IonicContact NH1-OE2 3.34Å; R111-E115 PolarHBondContact NH1-OE2 2.97Å; R111-E115 PolarHBondContact O-N 2.68Å
112L93.1Very high85Confident97 Ų9775.4 Ų75.451%0.50837%0.37SS..Hα-helixtrans-61.1-41.4178.3-66.8171.6000112.5E108 A109 K114 E115 K116E108-L112 PolarHBondContact O-N 3.33Å; A109-L112 PolarHBondContact O-N 2.81Å; L112-K114 VanDerWaalsContact C-N 3.3Å; L112-K114 PolarHBondContact O-N 3.17Å; L112-E115 PolarHBondContact O-N 2.73Å; L112-K116 WeakPolarHBondContact O-CB 3.36Å; L112-K116 PolarHBondContact O-N 3.37Å
113A89.4Confident82.8Confident10 Ų1079.6 Ų79.68%0.08339%0.394CS..Hα-helixtrans-62.1-37.817600000112.2N43 Y45 A109 R111 S117N43-A113 PolarHBondContact ND2-O 3.33Å; N43-A113 VanDerWaalsContact ND2-O 3.08Å; Y45-A113 HydrophobicContact CE2-CB 4.49Å; A109-A113 VanDerWaalsContact O-CB 3.3Å; A109-A113 WeakPolarHBondContact O-CB 3.49Å; A109-A113 PolarHBondContact O-N 2.83Å; R111-A113 PolarHBondContact O-N 3.13Å; A113-S117 WeakPolarHBondContact O-CB 3.41Å; A113-S117 PolarHBondContact O-N 3.41Å; A113-S117 PolarHBondContact O-OG 3.44Å
114K87.8Confident80.4Confident136 Ų13684.4 Ų84.459%0.59143%0.428SS*.Hα-helixtrans-69.5-46.4176-169.4-175.8176.8-166.30111.9A110 R111 L112 S117 Q118A110-K114 WeakPolarHBondContact O-CB 3.36Å; A110-K114 PolarHBondContact O-N 2.9Å; A110-K114 VanDerWaalsContact O-N 3.12Å; R111-K114 WeakPolarHBondContact O-CB 3.41Å; R111-K114 PolarHBondContact O-N 3.45Å; R111-K114 VanDerWaalsContact O-N 3.15Å; L112-K114 VanDerWaalsContact C-N 3.3Å; L112-K114 PolarHBondContact O-N 3.17Å; K114-S117 WeakPolarHBondContact O-CB 3.47Å; K114-S117 PolarHBondContact O-N 3.48Å; K114-S117 VanDerWaalsContact O-N 3.15Å; K114-Q118 PolarHBondContact O-N 2.9Å
115E88.2Confident78Confident88 Ų8886 Ų8641%0.41144%0.436SS..Hα-helixtrans-58-50.4177.2-76.2165.1-17000111.3R111 L112 S117 Q118 E119R111-E115 WeakPolarHBondContact CG-OE1 3.43Å; R111-E115 IonicContact CZ-OE1 2.83Å; R111-E115 IonicContact CZ-OE2 2.71Å; R111-E115 IonicContact NH1-OE1 3.43Å; R111-E115 PolarHBondContact NH1-OE1 2.87Å; R111-E115 IonicContact NH1-OE2 3.34Å; R111-E115 PolarHBondContact NH1-OE2 2.97Å; R111-E115 PolarHBondContact O-N 2.68Å; L112-E115 PolarHBondContact O-N 2.73Å; E115-S117 PolarHBondContact O-N 3.09Å; E115-Q118 PolarHBondContact O-N 3.45Å; E115-E119 PolarHBondContact O-N 3.46Å
116K83.6Confident75.1Confident154 Ų15487 Ų8767%0.6745%0.449SS*.Hα-helixtrans-59.7-29.5176.2-173.6171.8-176171.80113.7L112 K120L112-K116 WeakPolarHBondContact O-CB 3.36Å; L112-K116 PolarHBondContact O-N 3.37Å; K116-K120 WeakPolarHBondContact O-CB 3.46Å; K116-K120 PolarHBondContact O-N 3.31Å
117S76.6Confident72.5Confident48 Ų4892.9 Ų92.934%0.33649%0.488SS..Hα-helixtrans-77.7-34.7176.1-54.90000112.1N43 A113 K114 E115 T121N43-S117 PolarHBondContact ND2-OG 3.34Å; A113-S117 WeakPolarHBondContact O-CB 3.41Å; A113-S117 PolarHBondContact O-N 3.41Å; A113-S117 PolarHBondContact O-OG 3.44Å; K114-S117 WeakPolarHBondContact O-CB 3.47Å; K114-S117 PolarHBondContact O-N 3.48Å; K114-S117 VanDerWaalsContact O-N 3.15Å; E115-S117 PolarHBondContact O-N 3.09Å; S117-T121 PolarHBondContact O-N 2.84Å; S117-T121 PolarHBondContact O-OG1 2.71Å
118Q70.1Confident69.6Low102 Ų10295.8 Ų95.848%0.47752%0.515SS..Hα-helixtrans-72.2-46.9176.5-176.4171.4-20.100111.3K114 E115 K120 T121 E122K114-Q118 PolarHBondContact O-N 2.9Å; E115-Q118 PolarHBondContact O-N 3.45Å; Q118-K120 VanDerWaalsContact C-N 3.32Å; Q118-K120 PolarHBondContact O-N 2.78Å; Q118-T121 WeakPolarHBondContact O-CA 3.35Å; Q118-T121 VanDerWaalsContact O-CB 3.32Å; Q118-T121 WeakPolarHBondContact O-CB 3.15Å; Q118-T121 PolarHBondContact O-N 3.07Å; Q118-E122 HydrophobicContact CG-CG 4.5Å; Q118-E122 VanDerWaalsContact CG-OE1 3.25Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.38Å; Q118-E122 PolarHBondContact NE2-OE1 2.88Å; Q118-E122 PolarHBondContact O-N 2.78Å
119E62.8Low67Low119 Ų119101.9 Ų101.956%0.55654%0.544SS*.Hα-helixtrans-57.8-42.6176.5-174.4-178.4-15900112E115 T121 E122 L123E115-E119 PolarHBondContact O-N 3.46Å; E119-T121 PolarHBondContact O-N 2.96Å; E119-E122 PolarHBondContact O-N 3.35Å; E119-L123 HydrophobicContact CG-CD1 3.93Å; E119-L123 HydrophobicContact CG-CG 4.38Å; E119-L123 WeakPolarHBondContact O-CB 3.49Å; E119-L123 WeakPolarHBondContact O-CG 3.43Å; E119-L123 PolarHBondContact O-N 2.92Å
120K59.1Low64Low172 Ų172104.5 Ų104.575%0.74857%0.573SS**Hα-helixtrans-62.1-21.7173.9-171.8175.6-179.8-176.10113.4K116 Q118K116-K120 WeakPolarHBondContact O-CB 3.46Å; K116-K120 PolarHBondContact O-N 3.31Å; Q118-K120 VanDerWaalsContact C-N 3.32Å; Q118-K120 PolarHBondContact O-N 2.78Å
121T58Low61Low102 Ų102108 Ų10863%0.62661%0.61SS**Hα-helixtrans-88.7-39.9177.5-50.70000111.1S117 Q118 E119 S124S117-T121 PolarHBondContact O-N 2.84Å; S117-T121 PolarHBondContact O-OG1 2.71Å; Q118-T121 WeakPolarHBondContact O-CA 3.35Å; Q118-T121 VanDerWaalsContact O-CB 3.32Å; Q118-T121 WeakPolarHBondContact O-CB 3.15Å; Q118-T121 PolarHBondContact O-N 3.07Å; E119-T121 PolarHBondContact O-N 2.96Å; T121-S124 PolarHBondContact O-N 3.49Å
122E50.4Low58.1Low113 Ų113108.8 Ų108.853%0.52864%0.635SS.*Hα-helixtrans-73.3-35.5-179.2-69175.5-167.300112.7Q118 E119 S124 S125Q118-E122 HydrophobicContact CG-CG 4.5Å; Q118-E122 VanDerWaalsContact CG-OE1 3.25Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.38Å; Q118-E122 PolarHBondContact NE2-OE1 2.88Å; Q118-E122 PolarHBondContact O-N 2.78Å; E119-E122 PolarHBondContact O-N 3.35Å; E122-S124 PolarHBondContact O-N 2.88Å; E122-S125 PolarHBondContact O-N 2.9Å; E122-S125 VanDerWaalsContact O-N 3.12Å; E122-S125 PolarHBondContact O-OG 2.77Å
123L52Low55.4Low131 Ų131110.8 Ų110.869%0.68665%0.651SS**THydrogen-bonded Turntrans-68.4-10173.7-69.1174.5000114E119 S125E119-L123 HydrophobicContact CG-CD1 3.93Å; E119-L123 HydrophobicContact CG-CG 4.38Å; E119-L123 WeakPolarHBondContact O-CB 3.49Å; E119-L123 WeakPolarHBondContact O-CG 3.43Å; E119-L123 PolarHBondContact O-N 2.92Å; L123-S125 VanDerWaalsContact C-N 3.32Å
124S49Very low52.9Low104 Ų104119.3 Ų119.373%0.72769%0.686SS**THydrogen-bonded Turntrans-85.6-1.5172.6-170.50000113.3T121 E122T121-S124 PolarHBondContact O-N 3.49Å; E122-S124 PolarHBondContact O-N 2.88Å
125S47.7Very low50.4Low85 Ų85124 Ų12459%0.59470%0.701SS**  trans-116.361-175.744.40000113.8E122 L123E122-S125 PolarHBondContact O-N 2.9Å; E122-S125 VanDerWaalsContact O-N 3.12Å; E122-S125 PolarHBondContact O-OG 2.77Å; L123-S125 VanDerWaalsContact C-N 3.32Å
126T35.9Very low47.7Very low114 Ų114127 Ų12770%0.69972%0.719SS**  trans-121.5119.9162.246.30000110.7S128T126-S128 PolarHBondContact O-N 3.29Å
127P41.1Very low45.2Very low129 Ų129125.7 Ų125.784%0.83872%0.724SS**  trans-82.894.7178.731.6-32.1000110.6Q129P127-Q129 PolarHBondContact O-N 2.92Å
128S37Very low43Very low117 Ų117130.5 Ų130.582%0.81875%0.745SS**  trans-63.2122.8168.7-72.50000110.9T126T126-S128 PolarHBondContact O-N 3.29Å
129Q41.3Very low41.2Very low199 Ų199131.7 Ų131.793%0.9377%0.765SS**  trans-69.6134.8163-71.9-158.110.400110.3P127P127-Q129 PolarHBondContact O-N 2.92Å
130G31.9Very low39.6Very low78 Ų78131.1 Ų131.180%0.80477%0.769SS**  trans156.3121.4165.700000114.2
131G31.3Very low38.4Very low83 Ų83130.6 Ų130.686%0.85677%0.774SS**  trans94.892.6160.200000116.6
132A34.8Very low37.2Very low103 Ų103135.2 Ų135.285%0.85179%0.786SS**  trans-86.7119.5167.500000111.7
133V34.5Very low37Very low140 Ų140135.3 Ų135.385%0.84880%0.796SS**  trans-139.2135153.2-177.10000109.8
134K38.3Very low36Very low188 Ų188132.3 Ų132.382%0.81780%0.796SS**  trans-84145.7-173.7-55.9170-179.51750112.7
135R33.8Very low35.2Very low236 Ų236136.6 Ų136.689%0.89180%0.802SS**  -165.7149.8123.1-111.4167.6-76.4144.1-7.5113.6
136N31.8Very low34.4Very low151 Ų151140.5 Ų140.581%0.80781%0.808SS**  trans-66.1165.3-178.1-63.72.3000111.4
137V32Very low34.3Very low126 Ų126143.8 Ų143.876%0.76481%0.813SS**  -167.9134.370.6156.70000113.2
138L30.9Very low33.7Very low149 Ų149145 Ų14578%0.7881%0.807SS**  trans31.4119.5151.6-68.9155.8000121.1
139S31.5Very low33.5Very low127 Ų127145.2 Ų145.289%0.88881%0.809SS**  -156.5160.8109.4-145.90000112.6
140V29.7Very low33.1Very low107 Ų107140.1 Ų140.165%0.64880%0.801SS**  trans-115.6134.1-162.6-178.90000111
141N32.8Very low33.4Very low161 Ų161142.8 Ų142.886%0.86180%0.804SS**  trans-179.4143131.1-88.4-17.7000113
142K32.8Very low33.4Very low199 Ų199142.4 Ų142.487%0.86580%0.8SS**  trans-153174.1-178.2-127.8-172.5178.91740106
143P47.4Very low33.3Very low115 Ų115145.3 Ų145.375%0.74780%0.802SS**  cis-135.9177.5-12.640.4-24.1000114.6
144G29.8Very low33.3Very low67 Ų67146.9 Ų146.969%0.69180%0.804SS**  trans156.677.116000000113.9
145K32.2Very low32.9Very low195 Ų195146.4 Ų146.485%0.84881%0.805SS**  66.8131.895.1-76.8-173.3179.9178.50114.4
146K32.3Very low32.9Very low166 Ų166140.6 Ų140.672%0.72280%0.801SS**  cis-173.2171.6-10.1-134-166.6-179.3-141.50110.4
147K33Very low33.2Very low184 Ų184139.5 Ų139.580%0.880%0.802SS**  trans83.1117.2173.7-56.5-175.8175.3-174.30114.5
148E29.1Very low33.3Very low154 Ų154141.5 Ų141.572%0.7281%0.807SS**  cis69.1128.846.4-54.3167.5136.500111.1
149S32.6Very low33.6Very low121 Ų121141.2 Ų141.285%0.84681%0.812SS**  cis-145.7165.320.1-56.40000113.2
150A32.9Very low34.4Very low93 Ų93140.7 Ų140.777%0.76981%0.805SS**  trans-90.8155.1166.800000111.9
151P38Very low34.4Very low133 Ų133144.2 Ų144.286%0.86482%0.815SS**  trans-85.7149.4166.235.4-31.7000111
152G30.6Very low34.3Very low76 Ų76141.2 Ų141.278%0.78481%0.806SS**  trans-116134.1170.700000110.9
153D33.4Very low34.4Very low164 Ų164139 Ų13988%0.87780%0.802SS**  trans-69.6139.8169.7-68.7-61.6000111.3
154L34.1Very low33.6Very low173 Ų173141.4 Ų141.491%0.90681%0.809SS**  trans-144.7150.2151.6-85.6-173.2000111.5
155Q31.1Very low33.6Very low177 Ų177141 Ų14183%0.82781%0.805SS**  trans-86.4152.4-164.6-61.4147.4-54.300113.4
156S32.5Very low33.6Very low115 Ų115138.2 Ų138.280%0.80481%0.805SS**  trans-70.1150.8158.6-48.30000111.1
157P37.6Very low33.5Very low127 Ų127137.7 Ų137.783%0.82581%0.809SS**  -133.5163.4121.512.59000114.4
158L36Very low33.6Very low169 Ų169136.6 Ų136.689%0.88581%0.807SS**  trans-84.8146.9-178.9-61.8153.7000112.4
159T35.3Very low33.9Very low143 Ų143134.6 Ų134.688%0.87780%0.802SS**  trans-159.4159.9138.729.80000111.4
160P49.4Very low33.9Very low115 Ų115138.9 Ų138.975%0.74780%0.799SS**  trans-108.4-176.3-170.340.3-32.3000115.5
161E30.2Very low33.8Very low182 Ų182140.6 Ų140.685%0.8580%0.8SS**  trans94.8102.1161.6-63.1-154.4157.100121.2
162S30.1Very low33.7Very low97 Ų97139.4 Ų139.468%0.67879%0.79SS**  92.7140.9111.4-147.60000122.8
163I34.2Very low33.9Very low153 Ų153142 Ų14279%0.78579%0.793SS**  trans58.9102.9155.551.7-179.6000124.3
164N31.2Very low33.8Very low165 Ų165141.4 Ų141.488%0.88279%0.79SS**  90.2141.2120.7-158.144.8000121.6
165G30.1Very low33.8Very low59 Ų59139.2 Ų139.261%0.60878%0.784SS**  trans11681.8172.300000114.5
166T31.3Very low34.1Very low137 Ų137136.8 Ų136.884%0.8478%0.784SS**  69.9105.793.4-50.10000115.5
167D30.3Very low34Very low154 Ų154140.9 Ų140.982%0.82479%0.787SS**  -162.5171.7124.8-148.1-6.3000111.6
168E34.8Very low33.9Very low161 Ų161143.2 Ų143.275%0.75279%0.787SS**  trans-83.7171.4-148.1-72.4-100.8101.700120.6
169D35.3Very low33.7Very low113 Ų113140.5 Ų140.560%0.60478%0.781SS**  trans75143.2148.8-104.3-8.5000118.4
170R32.9Very low33.9Very low210 Ų210142.1 Ų142.179%0.79278%0.779SS**  cis-172145.45.7-163.4148.3176.2149.6-6.3108.3
171V31.8Very low33.1Very low129 Ų129141.4 Ų141.478%0.78278%0.783SS**  cis-153.7171-8.984.30000108.4
172T35.3Very low33.1Very low109 Ų109143 Ų14367%0.66978%0.781SS**  trans-109.1148.2167.746.50000112.6
173P35.3Very low33.2Very low130 Ų130142.8 Ų142.884%0.84479%0.785SS**PPolyproline II helixtrans-77.3122170.4-11.828.5000111.3
174N30.5Very low33.2Very low151 Ų151142.9 Ų142.981%0.80778%0.782SS**PPolyproline II helixtrans-85.4134.5177.4-93.6-30.2000113
175T34.4Very low33.6Very low128 Ų128140.2 Ų140.279%0.78577%0.774SS**PPolyproline II helixtrans-70.4130.7168.4-22.80000110.8K177T175-K177 PolarHBondContact O-N 3.07Å
176P38.1Very low34.4Very low125 Ų125143 Ų14381%0.81278%0.781SS**PPolyproline II helixtrans-80.7116.5171.4-1.918.6000110.4
177K30.8Very low34.7Very low201 Ų201145.5 Ų145.587%0.87478%0.783SS**PPolyproline II helixtrans-87.6147.7157.7-86-174.7176.4178.90109.9T175T175-K177 PolarHBondContact O-N 3.07Å
178H35.4Very low35.3Very low177 Ų177146 Ų14682%0.81979%0.786SS**PPolyproline II helixtrans-53.5133.1177-139.3-99.5000112.6
179S31.5Very low35.3Very low111 Ų111142.8 Ų142.878%0.77679%0.787SS**  trans-149.1126.2155.548.60000109.6
180E39.5Very low35.8Very low178 Ų178144.9 Ų144.983%0.83280%0.797SS**  trans-77.8124177-69.4168.5106.100109.9
181A32.2Very low36.6Very low99 Ų99140.5 Ų140.582%0.81880%0.796SS**  trans-132.982.9167.200000108.6A183A181-A183 PolarHBondContact O-N 2.87Å
182R29.9Very low37.3Very low216 Ų216143.4 Ų143.482%0.81580%0.798SS**  trans-65.4115.3176.2170.3178165.3173.6-5109.8
183A33.8Very low37.3Very low93 Ų93143 Ų14377%0.76980%0.801SS**PPolyproline II helixtrans-81.1125.7171.200000110.6A181A181-A183 PolarHBondContact O-N 2.87Å
184E32.9Very low37.6Very low154 Ų154145.5 Ų145.572%0.7280%0.8SS**PPolyproline II helixtrans-73.5131.9169.8-71.9-94.5116.500110.5
185P40.5Very low38.3Very low110 Ų110142.3 Ų142.371%0.71479%0.79SS**PPolyproline II helixtrans-89143.9165.434.4-30.8000111.1
186P45.5Very low39.3Very low116 Ų116140.9 Ų140.975%0.75379%0.785SS**PPolyproline II helixtrans-81.1139.9-177.531.2-34.1000114.2
187Q38.5Very low40.4Very low190 Ų190137.6 Ų137.689%0.88877%0.765SS**  trans79.4125.1143.8-67.9178.3-6.200121.7
188N42.4Very low42Very low166 Ų166131.8 Ų131.889%0.88875%0.75SS**  trans-33.7129.3161.7-64.3-24.4000115.8
189A34.5Very low43.6Very low92 Ų92128.7 Ų128.776%0.7674%0.738SS**  -177.8127.6106.100000110.7
190L46Very low45.6Very low157 Ų157127.7 Ų127.782%0.82272%0.724SS**  trans-79.7141156.7-72.5169.7000107.8
191P50.1Low47.6Very low119 Ų119125.4 Ų125.477%0.77371%0.711SS**  -132.6158.595.736-26.9000114.2S193P191-S193 PolarHBondContact O-N 2.81Å
192F45.6Very low49.9Very low189 Ų189126.4 Ų126.483%0.82970%0.699SS**  trans-55.9130.9169-85.2-115.7000111.7
193S36.5Very low52.5Low102 Ų102123.6 Ų123.671%0.71369%0.688SS**  trans-174.1120.7131.7-85.60000113.4P191P191-S193 PolarHBondContact O-N 2.81Å
194H41.8Very low55Low182 Ų182125.3 Ų125.384%0.84368%0.68SS**  trans29.199.4147.5-56.7-87.1000119.3
195S44.8Very low57.4Low83 Ų83120.9 Ų120.958%0.5867%0.67SS**  trans-158.294.4146.7-890000112S197 S198S195-S197 PolarHBondContact O-N 2.94Å; S195-S197 VanDerWaalsContact O-N 3.09Å; S195-S198 PolarHBondContact O-N 2.88Å; S195-S198 VanDerWaalsContact O-N 3.15Å
196S56.2Low59.7Low98 Ų98119.4 Ų119.469%0.68565%0.654SS**Hα-helixtrans-57.5-18.8171.941.20000113.5N200S196-N200 PolarHBondContact O-N 2.9Å; S196-N200 PolarHBondContact O-ND2 2.91Å
197S59.5Low61.7Low56 Ų56118.2 Ų118.239%0.39264%0.641SS.*Hα-helixtrans-58.9-43.9171.4148.60000113.4S195 N200 K201S195-S197 PolarHBondContact O-N 2.94Å; S195-S197 VanDerWaalsContact O-N 3.09Å; S197-N200 PolarHBondContact O-N 2.79Å; S197-K201 WeakPolarHBondContact O-CG 3.37Å; S197-K201 PolarHBondContact O-N 2.89Å; S197-K201 VanDerWaalsContact O-N 3.13Å; S197-K201 PolarHBondContact OG-NZ 3.44Å
198S64.3Low64Low79 Ų79112.1 Ų112.155%0.55262%0.622SS**Hα-helixtrans-75.6-35.9-169.5-560000112.7S195 H202S195-S198 PolarHBondContact O-N 2.88Å; S195-S198 VanDerWaalsContact O-N 3.15Å; S198-H202 PolarHBondContact O-N 3.46Å
199I70.8Confident66.2Low113 Ų113106.7 Ų106.758%0.57960%0.601SS**Hα-helixtrans-68.1-40.7173.6-87.2167.8000111.4K201 H202 W203I199-K201 PolarHBondContact O-N 3.48Å; I199-H202 WeakPolarHBondContact O-CB 3.44Å; I199-H202 PolarHBondContact O-N 2.92Å; I199-W203 PolarHBondContact O-N 2.84Å
200N73.3Confident68.9Low90 Ų90107.4 Ų107.448%0.48159%0.591SS.*Hα-helixtrans-62.8-42.5176.1-80.5-58.6000111.9S196 S197 H202 W203 E204S196-N200 PolarHBondContact O-N 2.9Å; S196-N200 PolarHBondContact O-ND2 2.91Å; S197-N200 PolarHBondContact O-N 2.79Å; N200-H202 VanDerWaalsContact C-N 3.29Å; N200-H202 PolarHBondContact O-N 3.33Å; N200-W203 PolarHBondContact O-N 3.16Å; N200-E204 WeakPolarHBondContact O-CG 3.3Å; N200-E204 PolarHBondContact O-N 3.46Å
201K81.7Confident71Confident130 Ų130106.2 Ų106.257%0.56558%0.579SS**Hα-helixtrans-61.1-34.3175.6-72.9170.2-178.3174.30113.4S197 I199 A205S197-K201 WeakPolarHBondContact O-CG 3.37Å; S197-K201 PolarHBondContact O-N 2.89Å; S197-K201 VanDerWaalsContact O-N 3.13Å; S197-K201 PolarHBondContact OG-NZ 3.44Å; I199-K201 PolarHBondContact O-N 3.48Å; K201-A205 WeakPolarHBondContact O-CB 3.35Å; K201-A205 PolarHBondContact O-N 2.96Å
202H79.3Confident73Confident120 Ų120102.1 Ų102.156%0.55656%0.558SS**Hα-helixtrans-63.1-51.4172.7-178-74000111.1S198 I199 N200 E204 A205 E206S198-H202 PolarHBondContact O-N 3.46Å; I199-H202 WeakPolarHBondContact O-CB 3.44Å; I199-H202 PolarHBondContact O-N 2.92Å; N200-H202 VanDerWaalsContact C-N 3.29Å; N200-H202 PolarHBondContact O-N 3.33Å; H202-E204 VanDerWaalsContact C-N 3.33Å; H202-E204 PolarHBondContact O-N 2.9Å; H202-A205 PolarHBondContact O-N 2.85Å; H202-E206 IonicContact CE1-OE2 2.9Å; H202-E206 PolarHBondContact CE1-OE2 3Å; H202-E206 VanDerWaalsContact CE1-OE2 3.26Å; H202-E206 IonicContact ND1-OE2 3.23Å; H202-E206 PolarHBondContact ND1-OE2 2.71Å; H202-E206 WeakPolarHBondContact O-CB 3.44Å; H202-E206 PolarHBondContact O-N 2.87Å
203W85.1Confident75.3Confident157 Ų15797 Ų9760%0.59554%0.54SS*.Hα-helixtrans-63.8-35.3178.8-68.2121000113.2I199 N200 E206 L207I199-W203 PolarHBondContact O-N 2.84Å; N200-W203 PolarHBondContact O-N 3.16Å; W203-E206 VanDerWaalsContact CZ3-OE2 3.3Å; W203-E206 WeakPolarHBondContact CZ3-OE2 3.37Å; W203-L207 VanDerWaalsContact O-CB 3.24Å; W203-L207 WeakPolarHBondContact O-CB 3.48Å; W203-L207 PolarHBondContact O-N 2.91Å
204E84.9Confident78Confident128 Ų12897.2 Ų97.260%0.59853%0.533SS*.Hα-helixtrans-64.3-43.8172.8-74.8176.4167.100112.1N200 H202 L207 A208N200-E204 WeakPolarHBondContact O-CG 3.3Å; N200-E204 PolarHBondContact O-N 3.46Å; H202-E204 VanDerWaalsContact C-N 3.33Å; H202-E204 PolarHBondContact O-N 2.9Å; E204-L207 PolarHBondContact O-N 3.02Å; E204-A208 WeakPolarHBondContact O-CB 3.44Å; E204-A208 PolarHBondContact O-N 2.82Å
205A84.9Confident80.4Confident61 Ų6191.4 Ų91.450%0.50452%0.516SS..Hα-helixtrans-65.8-40.7176.600000112.1K201 H202 A208 A209K201-A205 WeakPolarHBondContact O-CB 3.35Å; K201-A205 PolarHBondContact O-N 2.96Å; H202-A205 PolarHBondContact O-N 2.85Å; A205-A208 PolarHBondContact O-N 2.9Å; A205-A209 WeakPolarHBondContact O-CB 3.34Å; A205-A209 PolarHBondContact O-N 2.86Å
206E88.4Confident82.8Confident80 Ų8094.4 Ų94.437%0.37452%0.519SS..Hα-helixtrans-67.6-41.1176.8-170168.5-173.900111.7H202 W203 A208 A209 L210H202-E206 IonicContact CE1-OE2 2.9Å; H202-E206 PolarHBondContact CE1-OE2 3Å; H202-E206 VanDerWaalsContact CE1-OE2 3.26Å; H202-E206 IonicContact ND1-OE2 3.23Å; H202-E206 PolarHBondContact ND1-OE2 2.71Å; H202-E206 WeakPolarHBondContact O-CB 3.44Å; H202-E206 PolarHBondContact O-N 2.87Å; W203-E206 VanDerWaalsContact CZ3-OE2 3.3Å; W203-E206 WeakPolarHBondContact CZ3-OE2 3.37Å; E206-A208 VanDerWaalsContact C-N 3.33Å; E206-A208 PolarHBondContact O-N 2.59Å; E206-A209 PolarHBondContact O-N 2.85Å; E206-L210 HydrophobicContact CG-CD1 4.43Å; E206-L210 WeakPolarHBondContact O-CB 3.43Å; E206-L210 WeakPolarHBondContact O-CG 3.29Å; E206-L210 PolarHBondContact O-N 3.18Å
207L86.9Confident84.6Confident91 Ų9195.7 Ų95.748%0.47652%0.517SS..Hα-helixtrans-63-38.1172.1-178.462.9000112.1W203 E204 K211W203-L207 VanDerWaalsContact O-CB 3.24Å; W203-L207 WeakPolarHBondContact O-CB 3.48Å; W203-L207 PolarHBondContact O-N 2.91Å; E204-L207 PolarHBondContact O-N 3.02Å; L207-K211 HydrophobicContact CG-CD 4.41Å; L207-K211 WeakPolarHBondContact O-CB 3.17Å; L207-K211 VanDerWaalsContact O-CG 3.27Å; L207-K211 WeakPolarHBondContact O-CG 3.27Å; L207-K211 PolarHBondContact O-N 3.22Å
208A87.3Confident86.2Confident61 Ų6196.4 Ų96.450%0.50452%0.52SS..Hα-helixtrans-66.7-41.3174.200000112E204 A205 E206 K211 G212E204-A208 WeakPolarHBondContact O-CB 3.44Å; E204-A208 PolarHBondContact O-N 2.82Å; A205-A208 PolarHBondContact O-N 2.9Å; E206-A208 VanDerWaalsContact C-N 3.33Å; E206-A208 PolarHBondContact O-N 2.59Å; A208-K211 PolarHBondContact O-N 3.23Å; A208-G212 PolarHBondContact O-N 3.19Å
209A88.3Confident87.6Confident52 Ų5295.3 Ų95.343%0.4352%0.515SS..Hα-helixtrans-64-42.9174.500000112A205 E206 G212 N213A205-A209 WeakPolarHBondContact O-CB 3.34Å; A205-A209 PolarHBondContact O-N 2.86Å; E206-A209 PolarHBondContact O-N 2.85Å; A209-G212 PolarHBondContact O-N 3.22Å; A209-N213 WeakPolarHBondContact O-CB 3.33Å; A209-N213 VanDerWaalsContact O-CG 3.27Å; A209-N213 PolarHBondContact O-N 3.2Å; A209-N213 PolarHBondContact O-ND2 2.98Å
210L90.8Very high88.7Confident107 Ų10792.4 Ų92.456%0.5651%0.508SS*.Hα-helixtrans-63-42174.8-74.4169.7000112E206 N213 N214E206-L210 HydrophobicContact CG-CD1 4.43Å; E206-L210 WeakPolarHBondContact O-CB 3.43Å; E206-L210 WeakPolarHBondContact O-CG 3.29Å; E206-L210 PolarHBondContact O-N 3.18Å; L210-N213 PolarHBondContact O-N 3.5Å; L210-N214 WeakPolarHBondContact O-CB 3.35Å; L210-N214 PolarHBondContact O-N 2.77Å
211K91.5Very high89.7Confident133 Ų13393.6 Ų93.658%0.57851%0.514SS*.Hα-helixtrans-61.4-43.5172.2-75.5170.1179.6175.70111.8L207 A208 N214 A215L207-K211 HydrophobicContact CG-CD 4.41Å; L207-K211 WeakPolarHBondContact O-CB 3.17Å; L207-K211 VanDerWaalsContact O-CG 3.27Å; L207-K211 WeakPolarHBondContact O-CG 3.27Å; L207-K211 PolarHBondContact O-N 3.22Å; A208-K211 PolarHBondContact O-N 3.23Å; K211-N214 PolarHBondContact O-N 3.41Å; K211-A215 WeakPolarHBondContact O-CB 3.5Å; K211-A215 PolarHBondContact O-N 3.33Å
212G91.9Very high90.3Very high32 Ų3293 Ų9333%0.3352%0.516SS..Hα-helixtrans-63.3-40175.600000113.1A208 A209 A215 K216A208-G212 PolarHBondContact O-N 3.19Å; A209-G212 PolarHBondContact O-N 3.22Å; G212-A215 PolarHBondContact O-N 3.42Å; G212-K216 WeakPolarHBondContact O-CG 3.36Å; G212-K216 PolarHBondContact O-N 3.16Å
213N93.3Very high91Very high83 Ų8393.2 Ų93.244%0.44452%0.517SS..Hα-helixtrans-69.5-39.4175.9-71.6-18000111.9A209 L210 K216 L217A209-N213 WeakPolarHBondContact O-CB 3.33Å; A209-N213 VanDerWaalsContact O-CG 3.27Å; A209-N213 PolarHBondContact O-N 3.2Å; A209-N213 PolarHBondContact O-ND2 2.98Å; L210-N213 PolarHBondContact O-N 3.5Å; N213-K216 PolarHBondContact O-N 3.47Å; N213-L217 WeakPolarHBondContact O-CG 3.43Å; N213-L217 PolarHBondContact O-N 2.66Å
214N92.6Very high91.5Very high106 Ų10688.8 Ų88.857%0.56751%0.51SS*.Hα-helixtrans-60.1-47.3172.9-169.6-83.3000111L210 K211 K216 L217 T218L210-N214 WeakPolarHBondContact O-CB 3.35Å; L210-N214 PolarHBondContact O-N 2.77Å; K211-N214 PolarHBondContact O-N 3.41Å; N214-K216 PolarHBondContact O-N 2.64Å; N214-L217 WeakPolarHBondContact O-CB 3.24Å; N214-L217 PolarHBondContact O-N 3.05Å; N214-L217 VanDerWaalsContact O-N 3.13Å; N214-T218 PolarHBondContact O-N 3.39Å; N214-T218 PolarHBondContact O-OG1 2.91Å; N214-T218 VanDerWaalsContact O-OG1 3.12Å
215A93.3Very high91.9Very high59 Ų5985.8 Ų85.849%0.48850%0.501SS..Hα-helixtrans-60.2-40.2175.900000113K211 G212 T218 A219K211-A215 WeakPolarHBondContact O-CB 3.5Å; K211-A215 PolarHBondContact O-N 3.33Å; G212-A215 PolarHBondContact O-N 3.42Å; A215-T218 PolarHBondContact O-N 3.39Å; A215-A219 WeakPolarHBondContact O-CB 3.27Å; A215-A219 PolarHBondContact O-N 3.17Å
216K94.4Very high92.4Very high146 Ų14685 Ų8564%0.63549%0.494SS*.Hα-helixtrans-62.4-42173.2-74171.8-177175.20112.3G212 N213 N214 A219 A220G212-K216 WeakPolarHBondContact O-CG 3.36Å; G212-K216 PolarHBondContact O-N 3.16Å; N213-K216 PolarHBondContact O-N 3.47Å; N214-K216 PolarHBondContact O-N 2.64Å; K216-A219 PolarHBondContact O-N 2.89Å; K216-A220 WeakPolarHBondContact O-CB 3.23Å; K216-A220 PolarHBondContact O-N 3.24Å
217L94.3Very high92.8Very high125 Ų12584 Ų8465%0.65449%0.492SS*.Hα-helixtrans-64.8-40.7175.9-71.3169.3000111.6N213 N214 A220 L221N213-L217 WeakPolarHBondContact O-CG 3.43Å; N213-L217 PolarHBondContact O-N 2.66Å; N214-L217 WeakPolarHBondContact O-CB 3.24Å; N214-L217 PolarHBondContact O-N 3.05Å; N214-L217 VanDerWaalsContact O-N 3.13Å; L217-A220 PolarHBondContact O-N 2.88Å; L217-L221 WeakPolarHBondContact O-CB 3.23Å; L217-L221 PolarHBondContact O-N 3.36Å
218T93.2Very high93.3Very high72 Ų7283.1 Ų83.144%0.44249%0.49SS..Hα-helixtrans-62.1-44.1173.2-51.90000111.7N214 A215 L221 L222N214-T218 PolarHBondContact O-N 3.39Å; N214-T218 PolarHBondContact O-OG1 2.91Å; N214-T218 VanDerWaalsContact O-OG1 3.12Å; A215-T218 PolarHBondContact O-N 3.39Å; T218-L221 PolarHBondContact O-N 2.56Å; T218-L222 HydrophobicContact CG2-CD1 4.33Å; T218-L222 WeakPolarHBondContact O-CG 3.23Å; T218-L222 PolarHBondContact O-N 2.82Å
219A93.4Very high93.7Very high55 Ų5587.1 Ų87.146%0.45550%0.496SS..Hα-helixtrans-62-48.3176.900000111.9A215 K216 L221 L222 E223A215-A219 WeakPolarHBondContact O-CB 3.27Å; A215-A219 PolarHBondContact O-N 3.17Å; K216-A219 PolarHBondContact O-N 2.89Å; A219-L221 VanDerWaalsContact C-N 3.29Å; A219-L221 PolarHBondContact O-N 2.85Å; A219-L222 PolarHBondContact O-N 2.91Å; A219-E223 WeakPolarHBondContact O-CB 3.29Å; A219-E223 PolarHBondContact O-N 2.84Å
220A94.4Very high94.1Very high52 Ų5290.3 Ų90.343%0.4350%0.502SS..Hα-helixtrans-63-33.2177.400000112.9K216 L217 S224K216-A220 WeakPolarHBondContact O-CB 3.23Å; K216-A220 PolarHBondContact O-N 3.24Å; L217-A220 PolarHBondContact O-N 2.88Å; A220-S224 WeakPolarHBondContact O-CB 3.38Å; A220-S224 PolarHBondContact O-N 3.01Å
221L94.5Very high94.4Very high116 Ų11693.5 Ų93.561%0.60751%0.507SS*.Hα-helixtrans-69.5-40.7174.3-177.663.2000112L217 T218 A219 T225L217-L221 WeakPolarHBondContact O-CB 3.23Å; L217-L221 PolarHBondContact O-N 3.36Å; T218-L221 PolarHBondContact O-N 2.56Å; A219-L221 VanDerWaalsContact C-N 3.29Å; A219-L221 PolarHBondContact O-N 2.85Å; L221-T225 WeakPolarHBondContact O-CB 3.46Å; L221-T225 PolarHBondContact O-N 3.4Å; L221-T225 PolarHBondContact O-OG1 2.89Å
222L94.1Very high94.6Very high117 Ų11794.2 Ų94.261%0.61351%0.51SS*.Hα-helixtrans-65.5-42.6174.4-71.9171.2000111.5T218 A219 T225 A226T218-L222 HydrophobicContact CG2-CD1 4.33Å; T218-L222 WeakPolarHBondContact O-CG 3.23Å; T218-L222 PolarHBondContact O-N 2.82Å; A219-L222 PolarHBondContact O-N 2.91Å; L222-T225 WeakPolarHBondContact O-CB 3.46Å; L222-T225 PolarHBondContact O-N 2.81Å; L222-A226 PolarHBondContact O-N 2.98Å
223E94.5Very high94.8Very high124 Ų124100 Ų10058%0.57953%0.528SS*.Hα-helixtrans-62.5-48.4174.9-173.6-179.9177.300111.4A219 T225 A226 N227A219-E223 WeakPolarHBondContact O-CB 3.29Å; A219-E223 PolarHBondContact O-N 2.84Å; E223-T225 VanDerWaalsContact C-N 3.27Å; E223-T225 PolarHBondContact O-N 2.86Å; E223-A226 WeakPolarHBondContact O-CB 3.34Å; E223-A226 PolarHBondContact O-N 3.32Å; E223-N227 WeakPolarHBondContact O-CB 3.38Å; E223-N227 VanDerWaalsContact O-CG 3.24Å; E223-N227 PolarHBondContact O-N 2.89Å
224S94.3Very high95Very high64 Ų6499.9 Ų99.945%0.44853%0.525SS..Hα-helixtrans-57.1-41.2173.3-177.20000112A220 A226 N227 V228A220-S224 WeakPolarHBondContact O-CB 3.38Å; A220-S224 PolarHBondContact O-N 3.01Å; S224-A226 PolarHBondContact O-N 3.23Å; S224-N227 PolarHBondContact O-N 3.37Å; S224-V228 WeakPolarHBondContact O-CG2 3.23Å; S224-V228 PolarHBondContact O-N 3.43Å
225T94.4Very high95.2Very high65 Ų6599.6 Ų99.640%0.39952%0.523SS..Hα-helixtrans-65.9-36.4175.7-57.90000112.4L221 L222 E223 K229L221-T225 WeakPolarHBondContact O-CB 3.46Å; L221-T225 PolarHBondContact O-N 3.4Å; L221-T225 PolarHBondContact O-OG1 2.89Å; L222-T225 WeakPolarHBondContact O-CB 3.46Å; L222-T225 PolarHBondContact O-N 2.81Å; E223-T225 VanDerWaalsContact C-N 3.27Å; E223-T225 PolarHBondContact O-N 2.86Å; T225-K229 WeakPolarHBondContact O-CG 3.31Å; T225-K229 PolarHBondContact O-N 3.24Å
226A94.4Very high95.4Very high44 Ų4497.9 Ų97.936%0.36451%0.51SS..Hα-helixtrans-68.5-44.7173.900000111.4L222 E223 S224 V228 K229 Q230L222-A226 PolarHBondContact O-N 2.98Å; E223-A226 WeakPolarHBondContact O-CB 3.34Å; E223-A226 PolarHBondContact O-N 3.32Å; S224-A226 PolarHBondContact O-N 3.23Å; A226-V228 PolarHBondContact O-N 2.95Å; A226-K229 WeakPolarHBondContact O-CA 3.48Å; A226-K229 WeakPolarHBondContact O-CB 3.33Å; A226-K229 PolarHBondContact O-N 3.18Å; A226-Q230 PolarHBondContact O-N 3.29Å
227N96.4Very high95.4Very high61 Ų6193.5 Ų93.533%0.32650%0.501SS..Hα-helixtrans-58.9-45.7176-68-14.2000110.9E223 S224 K229 Q230 W231E223-N227 WeakPolarHBondContact O-CB 3.38Å; E223-N227 VanDerWaalsContact O-CG 3.24Å; E223-N227 PolarHBondContact O-N 2.89Å; S224-N227 PolarHBondContact O-N 3.37Å; N227-K229 VanDerWaalsContact C-N 3.26Å; N227-K229 PolarHBondContact O-N 2.95Å; N227-Q230 PolarHBondContact O-N 3.09Å; N227-Q230 VanDerWaalsContact O-N 3.11Å; N227-W231 PolarHBondContact O-N 3.13Å
228V97.4Very high95.5Very high72 Ų7294.7 Ų94.744%0.43650%0.498SS..Hα-helixtrans-59.1-35175.11690000112.3S224 A226 K232S224-V228 WeakPolarHBondContact O-CG2 3.23Å; S224-V228 PolarHBondContact O-N 3.43Å; A226-V228 PolarHBondContact O-N 2.95Å; V228-K232 HydrophobicContact CG1-CD 4.35Å; V228-K232 WeakPolarHBondContact O-CB 3.29Å; V228-K232 VanDerWaalsContact O-CG 3.28Å; V228-K232 WeakPolarHBondContact O-CG 3.47Å; V228-K232 PolarHBondContact O-N 2.89Å; V228-K232 VanDerWaalsContact O-N 3.12Å
229K95.6Very high95.7Very high145 Ų14596.6 Ų96.663%0.6350%0.502SS*.Hα-helixtrans-69.3-43.1173.8-70.5173.1-179.3179.60111.8T225 A226 N227 K232 Q233T225-K229 WeakPolarHBondContact O-CG 3.31Å; T225-K229 PolarHBondContact O-N 3.24Å; A226-K229 WeakPolarHBondContact O-CA 3.48Å; A226-K229 WeakPolarHBondContact O-CB 3.33Å; A226-K229 PolarHBondContact O-N 3.18Å; N227-K229 VanDerWaalsContact C-N 3.26Å; N227-K229 PolarHBondContact O-N 2.95Å; K229-K232 PolarHBondContact O-N 3.14Å; K229-Q233 PolarHBondContact O-N 2.94Å
230Q96.5Very high95.9Very high118 Ų118100.9 Ų100.955%0.55151%0.513SS*.Hα-helixtrans-62.4-47.9176.2-71.6177.7-20.200111.8A226 N227 K232 Q233 Q234A226-Q230 PolarHBondContact O-N 3.29Å; N227-Q230 PolarHBondContact O-N 3.09Å; N227-Q230 VanDerWaalsContact O-N 3.11Å; Q230-K232 VanDerWaalsContact C-N 3.3Å; Q230-K232 PolarHBondContact O-N 2.93Å; Q230-Q233 PolarHBondContact O-N 2.98Å; Q230-Q233 VanDerWaalsContact O-N 3.12Å; Q230-Q234 WeakPolarHBondContact O-CB 3.39Å; Q230-Q234 PolarHBondContact O-N 3.02Å
231W96.9Very high96Very high175 Ų175102.1 Ų102.166%0.66351%0.51SS*.Hα-helixtrans-59.7-38.8176-72.3117000112.5N227 L235N227-W231 PolarHBondContact O-N 3.13Å; W231-L235 VanDerWaalsContact O-CB 3.27Å; W231-L235 WeakPolarHBondContact O-CB 3.48Å; W231-L235 PolarHBondContact O-N 3Å
232K96.6Very high96Very high148 Ų14899.3 Ų99.364%0.64350%0.503SS*.Hα-helixtrans-64.9-42.6173.3-78.2178177.7-1730112.5V228 K229 Q230 G236V228-K232 HydrophobicContact CG1-CD 4.35Å; V228-K232 WeakPolarHBondContact O-CB 3.29Å; V228-K232 VanDerWaalsContact O-CG 3.28Å; V228-K232 WeakPolarHBondContact O-CG 3.47Å; V228-K232 PolarHBondContact O-N 2.89Å; V228-K232 VanDerWaalsContact O-N 3.12Å; K229-K232 PolarHBondContact O-N 3.14Å; Q230-K232 VanDerWaalsContact C-N 3.3Å; Q230-K232 PolarHBondContact O-N 2.93Å; K232-G236 PolarHBondContact O-N 3.45Å
233Q97Very high96.2Very high152 Ų15299.1 Ų99.171%0.7150%0.499SS*.Hα-helixtrans-64.3-43.6176.7-175177.98.600111.5K229 Q230 G236 A237K229-Q233 PolarHBondContact O-N 2.94Å; Q230-Q233 PolarHBondContact O-N 2.98Å; Q230-Q233 VanDerWaalsContact O-N 3.12Å; Q233-G236 PolarHBondContact O-N 3.39Å; Q233-A237 PolarHBondContact O-N 3.37Å
234Q96.9Very high96.3Very high82 Ų8299.1 Ų99.138%0.38349%0.494SS..Hα-helixtrans-68.6-37.3178.8-173.6170.1000112.1Q230 A237 Y238Q230-Q234 WeakPolarHBondContact O-CB 3.39Å; Q230-Q234 PolarHBondContact O-N 3.02Å; Q234-A237 PolarHBondContact O-N 3.08Å; Q234-Y238 HydrophobicContact CG-CD2 3.97Å; Q234-Y238 HydrophobicContact CG-CE2 3.51Å; Q234-Y238 PolarHBondContact NE2-OH 3.37Å; Q234-Y238 WeakPolarHBondContact O-CD2 3.13Å; Q234-Y238 PolarHBondContact O-N 2.93Å
235L96.9Very high96.5Very high100 Ų100100.2 Ų100.252%0.52449%0.494SS..Hα-helixtrans-61.8-43.3170.8-179.862.2000111.6W231 Y238 Q239W231-L235 VanDerWaalsContact O-CB 3.27Å; W231-L235 WeakPolarHBondContact O-CB 3.48Å; W231-L235 PolarHBondContact O-N 3Å; L235-Y238 PolarHBondContact O-N 3.15Å; L235-Q239 WeakPolarHBondContact O-CG 3.37Å; L235-Q239 PolarHBondContact O-N 3.21Å
236G96.7Very high96.6Very high22 Ų22103.5 Ų103.523%0.22751%0.505CS..Hα-helixtrans-59.2-47.217400000112.3K232 Q233 Y238 Q239 E240K232-G236 PolarHBondContact O-N 3.45Å; Q233-G236 PolarHBondContact O-N 3.39Å; G236-Y238 VanDerWaalsContact C-N 3.33Å; G236-Y238 PolarHBondContact O-N 2.89Å; G236-Q239 WeakPolarHBondContact O-CB 3.4Å; G236-Q239 PolarHBondContact O-N 2.84Å; G236-Q239 VanDerWaalsContact O-N 3.09Å; G236-E240 WeakPolarHBondContact O-CG 3.36Å; G236-E240 PolarHBondContact O-N 3.01Å
237A95.7Very high96.7Very high54 Ų54107 Ų10745%0.44651%0.512SS..Hα-helixtrans-59.9-39.8176.300000112.8Q233 Q234 E241Q233-A237 PolarHBondContact O-N 3.37Å; Q234-A237 PolarHBondContact O-N 3.08Å; A237-E241 VanDerWaalsContact O-CB 3.3Å; A237-E241 WeakPolarHBondContact O-CB 3.49Å; A237-E241 PolarHBondContact O-N 3.03Å
238Y96.1Very high96.8Very high150 Ų150109.8 Ų109.859%0.58852%0.518SS*.Hα-helixtrans-69.7-31.8174.1-72.2-50.6000113.3Q234 L235 G236 A242Q234-Y238 HydrophobicContact CG-CD2 3.97Å; Q234-Y238 HydrophobicContact CG-CE2 3.51Å; Q234-Y238 PolarHBondContact NE2-OH 3.37Å; Q234-Y238 WeakPolarHBondContact O-CD2 3.13Å; Q234-Y238 PolarHBondContact O-N 2.93Å; L235-Y238 PolarHBondContact O-N 3.15Å; G236-Y238 VanDerWaalsContact C-N 3.33Å; G236-Y238 PolarHBondContact O-N 2.89Å; Y238-A242 VanDerWaalsContact O-CB 3.28Å; Y238-A242 WeakPolarHBondContact O-CB 3.3Å; Y238-A242 PolarHBondContact O-N 2.87Å
239Q97.2Very high96.7Very high113 Ų113109.9 Ų109.953%0.52852%0.518SS..Hα-helixtrans-68.3-46.8174.1-74.8173.4-22.100111.4L235 G236 E241 A242 E243L235-Q239 WeakPolarHBondContact O-CG 3.37Å; L235-Q239 PolarHBondContact O-N 3.21Å; G236-Q239 WeakPolarHBondContact O-CB 3.4Å; G236-Q239 PolarHBondContact O-N 2.84Å; G236-Q239 VanDerWaalsContact O-N 3.09Å; Q239-E241 VanDerWaalsContact C-N 3.33Å; Q239-E241 PolarHBondContact O-N 2.95Å; Q239-A242 PolarHBondContact O-N 3.32Å; Q239-E243 PolarHBondContact O-N 2.88Å
240E96.4Very high96.7Very high144 Ų144106.3 Ų106.367%0.67351%0.509SS*.Hα-helixtrans-58.8-43.5174.7-71.1175-172.900111.7G236 E243 R244G236-E240 WeakPolarHBondContact O-CG 3.36Å; G236-E240 PolarHBondContact O-N 3.01Å; E240-E243 PolarHBondContact O-N 3.35Å; E240-R244 WeakPolarHBondContact O-CB 3.38Å; E240-R244 PolarHBondContact O-N 3.1Å
241E96.4Very high96.6Very high79 Ų79105.4 Ų105.437%0.36951%0.505SS..Hα-helixtrans-65.9-40.6176.7178.962.9-177.200112.3A237 Q239 R244 L245A237-E241 VanDerWaalsContact O-CB 3.3Å; A237-E241 WeakPolarHBondContact O-CB 3.49Å; A237-E241 PolarHBondContact O-N 3.03Å; Q239-E241 VanDerWaalsContact C-N 3.33Å; Q239-E241 PolarHBondContact O-N 2.95Å; E241-R244 PolarHBondContact O-N 3.08Å; E241-R244 IonicContact OE1-CZ 3.83Å; E241-R244 IonicContact OE1-NE 2.63Å; E241-R244 IonicContact OE1-NH2 2.92Å; E241-R244 PolarHBondContact OE1-NH2 2.92Å; E241-R244 IonicContact OE2-CZ 3.85Å; E241-R244 VanDerWaalsContact OE2-CZ 3.32Å; E241-R244 IonicContact OE2-NE 3.26Å; E241-R244 PolarHBondContact OE2-NE 3.42Å; E241-R244 IonicContact OE2-NH2 2.95Å; E241-R244 PolarHBondContact OE2-NH2 2.78Å; E241-R244 VanDerWaalsContact OE2-NH2 3.09Å; E241-L245 HydrophobicContact CG-CD1 4.28Å; E241-L245 WeakPolarHBondContact O-CB 3.39Å; E241-L245 WeakPolarHBondContact O-CG 3.41Å; E241-L245 PolarHBondContact O-N 2.97Å
242A96.2Very high96.4Very high57 Ų57101.4 Ų101.447%0.47150%0.496SS..Hα-helixtrans-64.1-43175.300000112Y238 Q239 L245 H246Y238-A242 VanDerWaalsContact O-CB 3.28Å; Y238-A242 WeakPolarHBondContact O-CB 3.3Å; Y238-A242 PolarHBondContact O-N 2.87Å; Q239-A242 PolarHBondContact O-N 3.32Å; A242-L245 PolarHBondContact O-N 3.43Å; A242-H246 WeakPolarHBondContact O-CB 3.5Å; A242-H246 PolarHBondContact O-N 3.26Å
243E97.1Very high96.3Very high113 Ų113100.2 Ų100.253%0.52849%0.493SS..Hα-helixtrans-62-41.8173-78.5-166.9-157.500112.4Q239 E240 H246 K247Q239-E243 PolarHBondContact O-N 2.88Å; E240-E243 PolarHBondContact O-N 3.35Å; E243-H246 PolarHBondContact O-N 3.49Å; E243-K247 WeakPolarHBondContact O-CB 3.18Å; E243-K247 WeakPolarHBondContact O-CD 3.39Å; E243-K247 VanDerWaalsContact O-CG 3.31Å; E243-K247 WeakPolarHBondContact O-CG 3.49Å; E243-K247 PolarHBondContact O-N 3.34Å; E243-K247 IonicContact OE2-NZ 3.49Å; E243-K247 PolarHBondContact OE2-NZ 3.5Å
244R97.8Very high96Very high124 Ų12496.4 Ų96.447%0.46848%0.482SS..Hα-helixtrans-63.2-43.2178.1-169.6-166.366.470.2-0.3111.2E240 E241 R248E240-R244 WeakPolarHBondContact O-CB 3.38Å; E240-R244 PolarHBondContact O-N 3.1Å; E241-R244 PolarHBondContact O-N 3.08Å; E241-R244 IonicContact OE1-CZ 3.83Å; E241-R244 IonicContact OE1-NE 2.63Å; E241-R244 IonicContact OE1-NH2 2.92Å; E241-R244 PolarHBondContact OE1-NH2 2.92Å; E241-R244 IonicContact OE2-CZ 3.85Å; E241-R244 VanDerWaalsContact OE2-CZ 3.32Å; E241-R244 IonicContact OE2-NE 3.26Å; E241-R244 PolarHBondContact OE2-NE 3.42Å; E241-R244 IonicContact OE2-NH2 2.95Å; E241-R244 PolarHBondContact OE2-NH2 2.78Å; E241-R244 VanDerWaalsContact OE2-NH2 3.09Å; R244-R248 WeakPolarHBondContact O-CB 3.34Å; R244-R248 PolarHBondContact O-N 3.25Å; R244-R248 VanDerWaalsContact O-N 3.08Å
245L97.5Very high95.8Very high87 Ų8796.3 Ų96.346%0.45549%0.487SS..Hα-helixtrans-65.8-42.4175-72.6171.8000111.7E241 A242 R248 V249E241-L245 HydrophobicContact CG-CD1 4.28Å; E241-L245 WeakPolarHBondContact O-CB 3.39Å; E241-L245 WeakPolarHBondContact O-CG 3.41Å; E241-L245 PolarHBondContact O-N 2.97Å; A242-L245 PolarHBondContact O-N 3.43Å; L245-R248 PolarHBondContact O-N 2.68Å; L245-V249 WeakPolarHBondContact O-CG2 3.21Å; L245-V249 PolarHBondContact O-N 3.48Å
246H97.3Very high95.4Very high133 Ų13395 Ų9562%0.61649%0.486SS*.Hα-helixtrans-61.4-48.6177.8-169.866.4000111.8A242 E243 R248 V249 T250A242-H246 WeakPolarHBondContact O-CB 3.5Å; A242-H246 PolarHBondContact O-N 3.26Å; E243-H246 PolarHBondContact O-N 3.49Å; H246-R248 VanDerWaalsContact C-N 3.26Å; H246-R248 PolarHBondContact O-N 3.34Å; H246-V249 PolarHBondContact O-N 2.83Å; H246-V249 VanDerWaalsContact O-N 3.14Å; H246-T250 PolarHBondContact O-N 2.96Å; H246-T250 VanDerWaalsContact O-N 3.1Å; H246-T250 PolarHBondContact O-OG1 3.48Å
247K96.9Very high95.1Very high117 Ų11795.9 Ų95.951%0.50950%0.495SS..Hα-helixtrans-53.7-44.5172.7-72161.8-171.8153.70111.1E243 V249 T250 E251E243-K247 WeakPolarHBondContact O-CB 3.18Å; E243-K247 WeakPolarHBondContact O-CD 3.39Å; E243-K247 VanDerWaalsContact O-CG 3.31Å; E243-K247 WeakPolarHBondContact O-CG 3.49Å; E243-K247 PolarHBondContact O-N 3.34Å; E243-K247 IonicContact OE2-NZ 3.49Å; E243-K247 PolarHBondContact OE2-NZ 3.5Å; K247-V249 PolarHBondContact O-N 3.13Å; K247-T250 PolarHBondContact O-N 2.65Å; K247-E251 WeakPolarHBondContact O-CG 3.24Å; K247-E251 PolarHBondContact O-N 3.25Å
248R96.8Very high94.9Very high121 Ų12198.5 Ų98.546%0.45750%0.498SS..Hα-helixtrans-67-34.6179.5-173.954.4179.1168.53.3113.7R244 L245 H246 E251 L252R244-R248 WeakPolarHBondContact O-CB 3.34Å; R244-R248 PolarHBondContact O-N 3.25Å; R244-R248 VanDerWaalsContact O-N 3.08Å; L245-R248 PolarHBondContact O-N 2.68Å; H246-R248 VanDerWaalsContact C-N 3.26Å; H246-R248 PolarHBondContact O-N 3.34Å; R248-E251 VanDerWaalsContact CD-OE2 3.28Å; R248-E251 WeakPolarHBondContact CD-OE2 3.25Å; R248-E251 IonicContact CZ-OE2 3.86Å; R248-E251 IonicContact NE-OE2 3.82Å; R248-E251 IonicContact NH1-OE2 2.77Å; R248-E251 PolarHBondContact NH1-OE2 3.39Å; R248-L252 HydrophobicContact CG-CD1 4.25Å; R248-L252 VanDerWaalsContact O-CG 3.28Å; R248-L252 WeakPolarHBondContact O-CG 3.47Å; R248-L252 PolarHBondContact O-N 2.94Å; R248-L252 VanDerWaalsContact O-N 3.15Å
249V96.6Very high94.7Very high73 Ų7394 Ų9444%0.44249%0.486SS..Hα-helixtrans-64.8-49.4174.1169.80000110.2L245 H246 K247 E251 L252 E253L245-V249 WeakPolarHBondContact O-CG2 3.21Å; L245-V249 PolarHBondContact O-N 3.48Å; H246-V249 PolarHBondContact O-N 2.83Å; H246-V249 VanDerWaalsContact O-N 3.14Å; K247-V249 PolarHBondContact O-N 3.13Å; V249-E251 VanDerWaalsContact C-N 3.33Å; V249-E251 PolarHBondContact O-N 2.91Å; V249-L252 PolarHBondContact O-N 3.18Å; V249-E253 HydrophobicContact CG1-CG 4.28Å; V249-E253 WeakPolarHBondContact O-CG 3.42Å; V249-E253 PolarHBondContact O-N 3.07Å
250T94.7Very high94.4Very high71 Ų7194.2 Ų94.244%0.43649%0.488SS..Hα-helixtrans-60.9-38.6179-51.80000112.8H246 K247 C254H246-T250 PolarHBondContact O-N 2.96Å; H246-T250 VanDerWaalsContact O-N 3.1Å; H246-T250 PolarHBondContact O-OG1 3.48Å; K247-T250 PolarHBondContact O-N 2.65Å; T250-C254 WeakPolarHBondContact O-CB 3.3Å; T250-C254 PolarHBondContact O-N 3.37Å
251E94.5Very high94.3Very high99 Ų9991.1 Ų91.146%0.46348%0.479SS..Hα-helixtrans-58.4-47.3171.2-75.3172.9-174.300112.1K247 R248 V249 C254 V255K247-E251 WeakPolarHBondContact O-CG 3.24Å; K247-E251 PolarHBondContact O-N 3.25Å; R248-E251 VanDerWaalsContact CD-OE2 3.28Å; R248-E251 WeakPolarHBondContact CD-OE2 3.25Å; R248-E251 IonicContact CZ-OE2 3.86Å; R248-E251 IonicContact NE-OE2 3.82Å; R248-E251 IonicContact NH1-OE2 2.77Å; R248-E251 PolarHBondContact NH1-OE2 3.39Å; V249-E251 VanDerWaalsContact C-N 3.33Å; V249-E251 PolarHBondContact O-N 2.91Å; E251-C254 PolarHBondContact O-N 2.68Å; E251-V255 WeakPolarHBondContact O-CG2 2.99Å; E251-V255 PolarHBondContact O-N 2.84Å
252L93.5Very high94.2Very high90 Ų9092.4 Ų92.447%0.47149%0.488SS..Hα-helixtrans-67.9-37.7-178.6-72.4170.6000112.2R248 V249 V255 S256R248-L252 HydrophobicContact CG-CD1 4.25Å; R248-L252 VanDerWaalsContact O-CG 3.28Å; R248-L252 WeakPolarHBondContact O-CG 3.47Å; R248-L252 PolarHBondContact O-N 2.94Å; R248-L252 VanDerWaalsContact O-N 3.15Å; V249-L252 PolarHBondContact O-N 3.18Å; L252-V255 PolarHBondContact O-N 3.05Å; L252-S256 WeakPolarHBondContact O-CB 3.44Å; L252-S256 PolarHBondContact O-N 2.89Å
253E93.4Very high94.1Very high124 Ų12495.5 Ų95.558%0.57949%0.49SS*.Hα-helixtrans-62.1-44.8173.5-71.1172.6152.100111.3V249 S256 G257V249-E253 HydrophobicContact CG1-CG 4.28Å; V249-E253 WeakPolarHBondContact O-CG 3.42Å; V249-E253 PolarHBondContact O-N 3.07Å; E253-S256 WeakPolarHBondContact O-CB 3.49Å; E253-S256 PolarHBondContact O-N 3.2Å; E253-G257 PolarHBondContact O-N 3.44Å
254C91.9Very high94Very high72 Ų7293.8 Ų93.849%0.48649%0.491SS..Hα-helixtrans-61.9-48.1176.3-171.70000112.1T250 E251 S256 G257 Q258T250-C254 WeakPolarHBondContact O-CB 3.3Å; T250-C254 PolarHBondContact O-N 3.37Å; E251-C254 PolarHBondContact O-N 2.68Å; C254-S256 VanDerWaalsContact C-N 3.32Å; C254-S256 PolarHBondContact O-N 3.08Å; C254-G257 PolarHBondContact O-N 2.88Å; C254-Q258 WeakPolarHBondContact O-CG 3.18Å; C254-Q258 PolarHBondContact O-N 2.85Å
255V91.3Very high93.9Very high80 Ų8093.3 Ų93.349%0.48549%0.494SS..Hα-helixtrans-64.8-35.5177.6171.80000111.7E251 L252 Q258 T259E251-V255 WeakPolarHBondContact O-CG2 2.99Å; E251-V255 PolarHBondContact O-N 2.84Å; L252-V255 PolarHBondContact O-N 3.05Å; V255-Q258 PolarHBondContact O-N 2.67Å; V255-T259 WeakPolarHBondContact O-CB 3.41Å; V255-T259 PolarHBondContact O-N 2.91Å; V255-T259 PolarHBondContact O-OG1 3.09Å
256S90.3Very high93.9Very high72 Ų7295.5 Ų95.550%0.50350%0.5SS..Hα-helixtrans-63-46.4174.1-1740000111.5L252 E253 C254 Q258 T259 M260L252-S256 WeakPolarHBondContact O-CB 3.44Å; L252-S256 PolarHBondContact O-N 2.89Å; E253-S256 WeakPolarHBondContact O-CB 3.49Å; E253-S256 PolarHBondContact O-N 3.2Å; C254-S256 VanDerWaalsContact C-N 3.32Å; C254-S256 PolarHBondContact O-N 3.08Å; S256-Q258 PolarHBondContact O-N 3.12Å; S256-T259 WeakPolarHBondContact O-CB 3.4Å; S256-T259 PolarHBondContact O-N 3.43Å; S256-M260 PolarHBondContact O-N 3.08Å
257G89.8Confident93.8Very high40 Ų4093.4 Ų93.441%0.41250%0.497SS..Hα-helixtrans-58.4-47.4174.400000112.8E253 C254 T259 M260 V261E253-G257 PolarHBondContact O-N 3.44Å; C254-G257 PolarHBondContact O-N 2.88Å; G257-T259 VanDerWaalsContact C-N 3.32Å; G257-T259 PolarHBondContact O-N 2.66Å; G257-M260 PolarHBondContact O-N 3.39Å; G257-V261 PolarHBondContact O-N 3.47Å; G257-V261 VanDerWaalsContact O-N 3.16Å
258Q90.8Very high93.8Very high109 Ų10992.1 Ų92.151%0.50949%0.492SS..Hα-helixtrans-60.2-40.6174.7-68.6175.49.800112.2C254 V255 S256 M260 V261 I262C254-Q258 WeakPolarHBondContact O-CG 3.18Å; C254-Q258 PolarHBondContact O-N 2.85Å; V255-Q258 PolarHBondContact O-N 2.67Å; S256-Q258 PolarHBondContact O-N 3.12Å; Q258-M260 VanDerWaalsContact C-N 3.3Å; Q258-M260 PolarHBondContact O-N 3.37Å; Q258-V261 PolarHBondContact O-N 3.15Å; Q258-I262 WeakPolarHBondContact O-CG1 3.41Å; Q258-I262 PolarHBondContact O-N 3.42Å
259T92.3Very high93.8Very high57 Ų5791.5 Ų91.535%0.3550%0.498SS..Hα-helixtrans-61.1-38.1177.3-61.10000111.8V255 S256 G257 K263V255-T259 WeakPolarHBondContact O-CB 3.41Å; V255-T259 PolarHBondContact O-N 2.91Å; V255-T259 PolarHBondContact O-OG1 3.09Å; S256-T259 WeakPolarHBondContact O-CB 3.4Å; S256-T259 PolarHBondContact O-N 3.43Å; G257-T259 VanDerWaalsContact C-N 3.32Å; G257-T259 PolarHBondContact O-N 2.66Å; T259-K263 HydrophobicContact CG2-CD 4.34Å; T259-K263 WeakPolarHBondContact O-CB 3.42Å; T259-K263 VanDerWaalsContact O-CG 3.28Å; T259-K263 WeakPolarHBondContact O-CG 3.21Å; T259-K263 PolarHBondContact O-N 3.4Å
260M91.6Very high93.8Very high116 Ų11691.6 Ų91.657%0.57150%0.495SS*.Hα-helixtrans-68.9-39.5176.1-69.3-61.1-70.500112.4S256 G257 Q258 K263 S264S256-M260 PolarHBondContact O-N 3.08Å; G257-M260 PolarHBondContact O-N 3.39Å; Q258-M260 VanDerWaalsContact C-N 3.3Å; Q258-M260 PolarHBondContact O-N 3.37Å; M260-K263 PolarHBondContact O-N 3.04Å; M260-K263 HydrophobicContact SD-CD 4.14Å; M260-S264 PolarHBondContact O-N 3.1Å
261V93.9Very high94Very high80 Ų8093 Ų9349%0.48549%0.493SS..Hα-helixtrans-62.7-46.8173.8176.10000111.1G257 Q258 K263 S264 Q265G257-V261 PolarHBondContact O-N 3.47Å; G257-V261 VanDerWaalsContact O-N 3.16Å; Q258-V261 PolarHBondContact O-N 3.15Å; V261-K263 VanDerWaalsContact C-N 3.32Å; V261-K263 PolarHBondContact O-N 3.36Å; V261-S264 WeakPolarHBondContact O-CB 3.32Å; V261-S264 PolarHBondContact O-N 2.97Å; V261-Q265 HydrophobicContact CG1-CG 4.47Å; V261-Q265 WeakPolarHBondContact O-CG 3.44Å; V261-Q265 PolarHBondContact O-N 2.97Å
262I93.7Very high94.1Very high106 Ų10690.5 Ų90.554%0.54448%0.484SS..Hα-helixtrans-62.6-38.8178-67.5163.9000111.2Q258 Q265 K266Q258-I262 WeakPolarHBondContact O-CG1 3.41Å; Q258-I262 PolarHBondContact O-N 3.42Å; I262-Q265 PolarHBondContact O-N 3.04Å; I262-K266 VanDerWaalsContact O-CB 3.32Å; I262-K266 WeakPolarHBondContact O-CB 3.36Å; I262-K266 PolarHBondContact O-N 2.99Å
263K95Very high94.3Very high122 Ų12290.2 Ų90.253%0.5348%0.482SS..Hα-helixtrans-61.2-45.8173.6-78.4171.5179.1176.90111.9T259 M260 V261 K266 T267T259-K263 HydrophobicContact CG2-CD 4.34Å; T259-K263 WeakPolarHBondContact O-CB 3.42Å; T259-K263 VanDerWaalsContact O-CG 3.28Å; T259-K263 WeakPolarHBondContact O-CG 3.21Å; T259-K263 PolarHBondContact O-N 3.4Å; M260-K263 PolarHBondContact O-N 3.04Å; M260-K263 HydrophobicContact SD-CD 4.14Å; V261-K263 VanDerWaalsContact C-N 3.32Å; V261-K263 PolarHBondContact O-N 3.36Å; K263-K266 PolarHBondContact O-N 3.02Å; K263-T267 PolarHBondContact O-N 3.37Å; K263-T267 PolarHBondContact O-OG1 3.48Å
264S94.8Very high94.5Very high77 Ų7790.4 Ų90.454%0.53848%0.483SS..Hα-helixtrans-62.4-45.6177.7-175.10000112.1M260 V261 K266 T267 E268M260-S264 PolarHBondContact O-N 3.1Å; V261-S264 WeakPolarHBondContact O-CB 3.32Å; V261-S264 PolarHBondContact O-N 2.97Å; S264-K266 VanDerWaalsContact C-N 3.32Å; S264-K266 PolarHBondContact O-N 3.29Å; S264-T267 WeakPolarHBondContact CA-OG1 3.25Å; S264-T267 PolarHBondContact O-N 3.06Å; S264-T267 PolarHBondContact O-OG1 3.03Å; S264-E268 PolarHBondContact O-N 3.09Å
265Q96Very high94.8Very high114 Ų11491.7 Ų91.753%0.53348%0.482SS..Hα-helixtrans-61.1-40.1174-71.6174.5-12.700112V261 I262 E268 L269V261-Q265 HydrophobicContact CG1-CG 4.47Å; V261-Q265 WeakPolarHBondContact O-CG 3.44Å; V261-Q265 PolarHBondContact O-N 2.97Å; I262-Q265 PolarHBondContact O-N 3.04Å; Q265-E268 PolarHBondContact O-N 2.62Å; Q265-L269 WeakPolarHBondContact O-CB 3.45Å; Q265-L269 VanDerWaalsContact O-CG 3.31Å; Q265-L269 WeakPolarHBondContact O-CG 3.31Å; Q265-L269 PolarHBondContact O-N 2.96Å
266K96.8Very high95.1Very high132 Ų13293.7 Ų93.757%0.57449%0.49SS*.Hα-helixtrans-64-42175.4-177.8179.5177.1-178.50112.1I262 K263 S264 E268 L269 N270I262-K266 VanDerWaalsContact O-CB 3.32Å; I262-K266 WeakPolarHBondContact O-CB 3.36Å; I262-K266 PolarHBondContact O-N 2.99Å; K263-K266 PolarHBondContact O-N 3.02Å; S264-K266 VanDerWaalsContact C-N 3.32Å; S264-K266 PolarHBondContact O-N 3.29Å; K266-E268 VanDerWaalsContact C-N 3.34Å; K266-L269 PolarHBondContact O-N 3Å; K266-N270 WeakPolarHBondContact O-CB 3.48Å; K266-N270 PolarHBondContact O-N 3.04Å; K266-N270 PolarHBondContact O-OD1 3.35Å
267T96.1Very high95.4Very high90 Ų9094.8 Ų94.855%0.55249%0.487SS*.Hα-helixtrans-65.3-38.2176.542.90000112.1K263 S264 N270 R271K263-T267 PolarHBondContact O-N 3.37Å; K263-T267 PolarHBondContact O-OG1 3.48Å; S264-T267 WeakPolarHBondContact CA-OG1 3.25Å; S264-T267 PolarHBondContact O-N 3.06Å; S264-T267 PolarHBondContact O-OG1 3.03Å; T267-N270 PolarHBondContact O-N 2.88Å; T267-R271 WeakPolarHBondContact O-CB 3.45Å; T267-R271 PolarHBondContact O-N 3.35Å
268E96.8Very high95.8Very high89 Ų8995.1 Ų95.142%0.41649%0.486SS..Hα-helixtrans-70.1-39.3176.5-177.757.8-163.500112.4S264 Q265 K266 R271 T272S264-E268 PolarHBondContact O-N 3.09Å; Q265-E268 PolarHBondContact O-N 2.62Å; K266-E268 VanDerWaalsContact C-N 3.34Å; E268-R271 WeakPolarHBondContact O-CB 3.48Å; E268-R271 PolarHBondContact O-N 2.97Å; E268-R271 IonicContact OE1-CZ 3.97Å; E268-R271 IonicContact OE1-NE 3.09Å; E268-R271 PolarHBondContact OE1-NE 3.39Å; E268-R271 IonicContact OE1-NH2 3.32Å; E268-R271 PolarHBondContact OE1-NH2 3.01Å; E268-R271 IonicContact OE2-CZ 3.05Å; E268-R271 IonicContact OE2-NE 2.75Å; E268-R271 PolarHBondContact OE2-NE 3.32Å; E268-R271 IonicContact OE2-NH2 3.75Å; E268-T272 PolarHBondContact O-N 2.88Å; E268-T272 PolarHBondContact O-OG1 3.04Å
269L96.6Very high96.1Very high109 Ų10992.6 Ų92.657%0.57148%0.483SS*.Hα-helixtrans-63.6-42.3172.7-73.7171.2000111.7Q265 K266 R271 T272 I273Q265-L269 WeakPolarHBondContact O-CB 3.45Å; Q265-L269 VanDerWaalsContact O-CG 3.31Å; Q265-L269 WeakPolarHBondContact O-CG 3.31Å; Q265-L269 PolarHBondContact O-N 2.96Å; K266-L269 PolarHBondContact O-N 3Å; L269-R271 VanDerWaalsContact C-N 3.35Å; L269-R271 PolarHBondContact O-N 3.36Å; L269-T272 WeakPolarHBondContact CA-OG1 3.4Å; L269-T272 PolarHBondContact O-N 2.85Å; L269-T272 PolarHBondContact O-OG1 2.97Å; L269-I273 WeakPolarHBondContact O-CD1 3.36Å; L269-I273 VanDerWaalsContact O-CG1 3.26Å; L269-I273 WeakPolarHBondContact O-CG1 3.3Å; L269-I273 PolarHBondContact O-N 3.19Å
270N96.8Very high96.4Very high74 Ų7494.6 Ų94.640%0.39649%0.491SS..Hα-helixtrans-60.2-44.6173.7-76.47.9000111.6K266 T267 T272 I273 E274K266-N270 WeakPolarHBondContact O-CB 3.48Å; K266-N270 PolarHBondContact O-N 3.04Å; K266-N270 PolarHBondContact O-OD1 3.35Å; T267-N270 PolarHBondContact O-N 2.88Å; N270-T272 PolarHBondContact O-N 3.46Å; N270-I273 WeakPolarHBondContact O-CB 3.48Å; N270-I273 PolarHBondContact O-N 3.17Å; N270-E274 WeakPolarHBondContact O-CG 3.43Å; N270-E274 PolarHBondContact O-N 2.96Å
271R97.9Very high96.7Very high102 Ų10294.9 Ų94.939%0.38549%0.486SS..Hα-helixtrans-57.5-46.8176.4-167.5-172.774.268.613.5111.8T267 E268 L269 I273 E274 E275T267-R271 WeakPolarHBondContact O-CB 3.45Å; T267-R271 PolarHBondContact O-N 3.35Å; E268-R271 WeakPolarHBondContact O-CB 3.48Å; E268-R271 PolarHBondContact O-N 2.97Å; E268-R271 IonicContact OE1-CZ 3.97Å; E268-R271 IonicContact OE1-NE 3.09Å; E268-R271 PolarHBondContact OE1-NE 3.39Å; E268-R271 IonicContact OE1-NH2 3.32Å; E268-R271 PolarHBondContact OE1-NH2 3.01Å; E268-R271 IonicContact OE2-CZ 3.05Å; E268-R271 IonicContact OE2-NE 2.75Å; E268-R271 PolarHBondContact OE2-NE 3.32Å; E268-R271 IonicContact OE2-NH2 3.75Å; L269-R271 VanDerWaalsContact C-N 3.35Å; L269-R271 PolarHBondContact O-N 3.36Å; R271-I273 VanDerWaalsContact C-N 3.35Å; R271-I273 PolarHBondContact O-N 3.15Å; R271-E274 PolarHBondContact O-N 3.4Å; R271-E275 IonicContact CZ-OE1 3.56Å; R271-E275 IonicContact CZ-OE2 2.72Å; R271-E275 IonicContact NH1-OE1 3.54Å; R271-E275 PolarHBondContact NH1-OE1 3.36Å; R271-E275 IonicContact NH1-OE2 2.68Å; R271-E275 PolarHBondContact NH1-OE2 2.86Å; R271-E275 IonicContact NH2-OE2 3.66Å; R271-E275 WeakPolarHBondContact O-CG 3.35Å; R271-E275 PolarHBondContact O-N 2.92Å
272T97.4Very high96.9Very high45 Ų4593.4 Ų93.428%0.27648%0.482SS..Hα-helixtrans-68.8-30.7177.954.20000113E268 L269 N270 L276E268-T272 PolarHBondContact O-N 2.88Å; E268-T272 PolarHBondContact O-OG1 3.04Å; L269-T272 WeakPolarHBondContact CA-OG1 3.4Å; L269-T272 PolarHBondContact O-N 2.85Å; L269-T272 PolarHBondContact O-OG1 2.97Å; N270-T272 PolarHBondContact O-N 3.46Å; T272-L276 WeakPolarHBondContact O-CB 3.32Å; T272-L276 WeakPolarHBondContact O-CG 3.3Å; T272-L276 PolarHBondContact O-N 3.04Å
273I97.3Very high97.1Very high85 Ų8593.7 Ų93.744%0.43648%0.48SS..Hα-helixtrans-65-48.4170.8-70163.1000110.4L269 N270 R271 E275 L276 E277L269-I273 WeakPolarHBondContact O-CD1 3.36Å; L269-I273 VanDerWaalsContact O-CG1 3.26Å; L269-I273 WeakPolarHBondContact O-CG1 3.3Å; L269-I273 PolarHBondContact O-N 3.19Å; N270-I273 WeakPolarHBondContact O-CB 3.48Å; N270-I273 PolarHBondContact O-N 3.17Å; R271-I273 VanDerWaalsContact C-N 3.35Å; R271-I273 PolarHBondContact O-N 3.15Å; I273-E275 VanDerWaalsContact C-N 3.32Å; I273-E275 PolarHBondContact O-N 2.97Å; I273-L276 PolarHBondContact O-N 2.71Å; I273-E277 HydrophobicContact CG2-CG 4.37Å; I273-E277 WeakPolarHBondContact O-CB 3.45Å; I273-E277 WeakPolarHBondContact O-CG 3.47Å; I273-E277 PolarHBondContact O-N 3.47Å
274E97.5Very high97.2Very high127 Ų12793 Ų9359%0.59348%0.478SS*.Hα-helixtrans-59.3-40.7177.6-71.9169.5-162.300112.2N270 R271 A278N270-E274 WeakPolarHBondContact O-CG 3.43Å; N270-E274 PolarHBondContact O-N 2.96Å; R271-E274 PolarHBondContact O-N 3.4Å; E274-A278 WeakPolarHBondContact O-CB 3.33Å; E274-A278 PolarHBondContact O-N 2.77Å
275E97.6Very high97.3Very high99 Ų9994.7 Ų94.746%0.46348%0.478SS..Hα-helixtrans-64.2-45174.1-73.3179147.800112.5R271 I273 A278 A279R271-E275 IonicContact CZ-OE1 3.56Å; R271-E275 IonicContact CZ-OE2 2.72Å; R271-E275 IonicContact NH1-OE1 3.54Å; R271-E275 PolarHBondContact NH1-OE1 3.36Å; R271-E275 IonicContact NH1-OE2 2.68Å; R271-E275 PolarHBondContact NH1-OE2 2.86Å; R271-E275 IonicContact NH2-OE2 3.66Å; R271-E275 WeakPolarHBondContact O-CG 3.35Å; R271-E275 PolarHBondContact O-N 2.92Å; I273-E275 VanDerWaalsContact C-N 3.32Å; I273-E275 PolarHBondContact O-N 2.97Å; E275-A278 PolarHBondContact O-N 3.07Å; E275-A279 WeakPolarHBondContact O-CB 3.32Å; E275-A279 PolarHBondContact O-N 2.63Å
276L97.6Very high97.4Very high123 Ų12393 Ų9364%0.64447%0.47SS*.Hα-helixtrans-67.1-37.9178.1-73.8170.7000112.1T272 I273 A279 L280T272-L276 WeakPolarHBondContact O-CB 3.32Å; T272-L276 WeakPolarHBondContact O-CG 3.3Å; T272-L276 PolarHBondContact O-N 3.04Å; I273-L276 PolarHBondContact O-N 2.71Å; L276-A279 PolarHBondContact O-N 2.98Å; L276-L280 WeakPolarHBondContact O-CB 3.39Å; L276-L280 PolarHBondContact O-N 3.18Å
277E97.5Very high97.4Very high94 Ų9491.7 Ų91.744%0.43947%0.468SS..Hα-helixtrans-65.9-40.2173.2-75.2-174.3-170.800112.3I273 L280 R281I273-E277 HydrophobicContact CG2-CG 4.37Å; I273-E277 WeakPolarHBondContact O-CB 3.45Å; I273-E277 WeakPolarHBondContact O-CG 3.47Å; I273-E277 PolarHBondContact O-N 3.47Å; E277-L280 PolarHBondContact O-N 3.34Å; E277-R281 WeakPolarHBondContact O-CG 3.25Å; E277-R281 PolarHBondContact O-N 3.19Å; E277-R281 IonicContact OE2-NH1 3.78Å; E277-R281 PolarHBondContact OE2-NH1 3.27Å
278A97.8Very high97.5Very high48 Ų4891.9 Ų91.940%0.39746%0.463SS..Hα-helixtrans-65-42.2175.300000111.6E274 E275 R281 A282E274-A278 WeakPolarHBondContact O-CB 3.33Å; E274-A278 PolarHBondContact O-N 2.77Å; E275-A278 PolarHBondContact O-N 3.07Å; A278-R281 PolarHBondContact O-N 2.98Å; A278-A282 WeakPolarHBondContact O-CB 3.3Å; A278-A282 PolarHBondContact O-N 3.08Å
279A97.9Very high97.6Very high55 Ų5594 Ų9446%0.45547%0.467SS..Hα-helixtrans-64.4-38.7174.400000112.4E275 L276 A282 K283E275-A279 WeakPolarHBondContact O-CB 3.32Å; E275-A279 PolarHBondContact O-N 2.63Å; L276-A279 PolarHBondContact O-N 2.98Å; A279-A282 PolarHBondContact O-N 2.78Å; A279-K283 PolarHBondContact O-N 2.85Å
280L97.6Very high97.7Very high100 Ų10092.8 Ų92.852%0.52446%0.461SS..Hα-helixtrans-63-50.6175.1-178.263.6000111L276 E277 A282 K283 E284L276-L280 WeakPolarHBondContact O-CB 3.39Å; L276-L280 PolarHBondContact O-N 3.18Å; E277-L280 PolarHBondContact O-N 3.34Å; L280-A282 VanDerWaalsContact C-N 3.32Å; L280-A282 PolarHBondContact O-N 2.9Å; L280-K283 CarbonylContact O-C 3.59Å; L280-K283 WeakPolarHBondContact O-CA 3.37Å; L280-K283 PolarHBondContact O-N 2.79Å; L280-E284 WeakPolarHBondContact O-CG 3.43Å; L280-E284 PolarHBondContact O-N 3.12Å
281R98.1Very high97.7Very high122 Ų12294.7 Ų94.746%0.4647%0.466SS..Hα-helixtrans-56.1-45.1176.4-73.8-176.4-69.5-1000.1111.9E277 A278 K283 E284 E285E277-R281 WeakPolarHBondContact O-CG 3.25Å; E277-R281 PolarHBondContact O-N 3.19Å; E277-R281 IonicContact OE2-NH1 3.78Å; E277-R281 PolarHBondContact OE2-NH1 3.27Å; A278-R281 PolarHBondContact O-N 2.98Å; R281-K283 VanDerWaalsContact C-N 3.29Å; R281-K283 PolarHBondContact O-N 3.47Å; R281-E284 PolarHBondContact O-N 3.49Å; R281-E285 PolarHBondContact O-N 2.87Å
282A98.1Very high97.7Very high49 Ų4996 Ų9641%0.40548%0.476SS..Hα-helixtrans-61.7-35176.700000113A278 A279 L280 E286A278-A282 WeakPolarHBondContact O-CB 3.3Å; A278-A282 PolarHBondContact O-N 3.08Å; A279-A282 PolarHBondContact O-N 2.78Å; L280-A282 VanDerWaalsContact C-N 3.32Å; L280-A282 PolarHBondContact O-N 2.9Å; A282-E286 WeakPolarHBondContact O-CB 3.35Å; A282-E286 PolarHBondContact O-N 3.23Å; A282-E286 VanDerWaalsContact O-N 3.08Å
283K97.5Very high97.7Very high112 Ų112100.1 Ų100.149%0.48749%0.492SS..Hα-helixtrans-75.7-31.1174.1-74.7-53-168.5-174.90113.7A279 L280 R281 E286 L287A279-K283 PolarHBondContact O-N 2.85Å; L280-K283 CarbonylContact O-C 3.59Å; L280-K283 WeakPolarHBondContact O-CA 3.37Å; L280-K283 PolarHBondContact O-N 2.79Å; R281-K283 VanDerWaalsContact C-N 3.29Å; R281-K283 PolarHBondContact O-N 3.47Å; K283-E286 WeakPolarHBondContact CD-OE2 3.38Å; K283-E286 IonicContact NZ-OE1 3.69Å; K283-E286 PolarHBondContact NZ-OE1 3.02Å; K283-E286 IonicContact NZ-OE2 2.62Å; K283-E286 PolarHBondContact NZ-OE2 3.38Å; K283-E286 PolarHBondContact O-N 2.95Å; K283-L287 WeakPolarHBondContact O-CB 3.48Å; K283-L287 VanDerWaalsContact O-CG 3.3Å; K283-L287 WeakPolarHBondContact O-CG 3.32Å; K283-L287 PolarHBondContact O-N 3.46Å
284E97.2Very high97.8Very high108 Ų108100.3 Ų100.351%0.50550%0.497SS..Hα-helixtrans-65.8-43.2171.4-70.3172.1157.500111L280 R281 L287 E288L280-E284 WeakPolarHBondContact O-CG 3.43Å; L280-E284 PolarHBondContact O-N 3.12Å; R281-E284 PolarHBondContact O-N 3.49Å; E284-L287 PolarHBondContact O-N 2.93Å; E284-E288 PolarHBondContact O-N 3.3Å
285E98.1Very high97.8Very high112 Ų112101.5 Ų101.552%0.52350%0.503SS..Hα-helixtrans-63.7-39.4172.9-70.1177.8-163.100113.4R281 E288 R289R281-E285 PolarHBondContact O-N 2.87Å; E285-E288 PolarHBondContact O-N 3.19Å; E285-R289 WeakPolarHBondContact O-CG 3.49Å; E285-R289 PolarHBondContact O-N 3.2Å; E285-R289 VanDerWaalsContact O-N 3.09Å; E285-R289 IonicContact OE2-NH1 2.71Å
286E98.1Very high97.8Very high79 Ų7999.3 Ų99.337%0.36950%0.498SS..Hα-helixtrans-64.4-41.1174.9-172.9-179141.100111.5A282 K283 L290A282-E286 WeakPolarHBondContact O-CB 3.35Å; A282-E286 PolarHBondContact O-N 3.23Å; A282-E286 VanDerWaalsContact O-N 3.08Å; K283-E286 WeakPolarHBondContact CD-OE2 3.38Å; K283-E286 IonicContact NZ-OE1 3.69Å; K283-E286 PolarHBondContact NZ-OE1 3.02Å; K283-E286 IonicContact NZ-OE2 2.62Å; K283-E286 PolarHBondContact NZ-OE2 3.38Å; K283-E286 PolarHBondContact O-N 2.95Å; E286-L290 HydrophobicContact CG-CD1 4.29Å; E286-L290 WeakPolarHBondContact O-CB 3.46Å; E286-L290 VanDerWaalsContact O-CG 3.3Å; E286-L290 WeakPolarHBondContact O-CG 3.46Å; E286-L290 PolarHBondContact O-N 3.39Å
287L96.8Very high97.8Very high103 Ų10396.1 Ų96.154%0.53949%0.489SS..Hα-helixtrans-64.5-37.3174.7-76.9170.8000112.5K283 E284 L290 K291K283-L287 WeakPolarHBondContact O-CB 3.48Å; K283-L287 VanDerWaalsContact O-CG 3.3Å; K283-L287 WeakPolarHBondContact O-CG 3.32Å; K283-L287 PolarHBondContact O-N 3.46Å; E284-L287 PolarHBondContact O-N 2.93Å; L287-L290 PolarHBondContact O-N 3.35Å; L287-K291 WeakPolarHBondContact O-CG 3.39Å; L287-K291 PolarHBondContact O-N 2.95Å
288E97.8Very high97.8Very high95 Ų9596.1 Ų96.144%0.44449%0.493SS..Hα-helixtrans-68.3-46.2177.5-152.463.1-15200111.5E284 E285 L290 K291 E292E284-E288 PolarHBondContact O-N 3.3Å; E285-E288 PolarHBondContact O-N 3.19Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 2.98Å; E288-K291 WeakPolarHBondContact O-CB 3.41Å; E288-K291 PolarHBondContact O-N 3.32Å; E288-K291 IonicContact OE1-NZ 2.66Å; E288-K291 IonicContact OE2-NZ 3.58Å; E288-K291 PolarHBondContact OE2-NZ 2.93Å; E288-E292 PolarHBondContact O-N 2.93Å
289R98.3Very high97.8Very high134 Ų13499.4 Ų99.451%0.50650%0.5SS..Hα-helixtrans-56.2-41.1173.5-72.8-175.5-70.7-104.1-2.8112.4E285 E292 E293E285-R289 WeakPolarHBondContact O-CG 3.49Å; E285-R289 PolarHBondContact O-N 3.2Å; E285-R289 VanDerWaalsContact O-N 3.09Å; E285-R289 IonicContact OE2-NH1 2.71Å; R289-E292 PolarHBondContact O-N 3.19Å; R289-E293 PolarHBondContact O-N 2.99Å
290L98.1Very high97.8Very high82 Ų82103.1 Ų103.143%0.42951%0.506SS..Hα-helixtrans-69.2-29.6177-73.1170.9000113.1E286 L287 E288 V294E286-L290 HydrophobicContact CG-CD1 4.29Å; E286-L290 WeakPolarHBondContact O-CB 3.46Å; E286-L290 VanDerWaalsContact O-CG 3.3Å; E286-L290 WeakPolarHBondContact O-CG 3.46Å; E286-L290 PolarHBondContact O-N 3.39Å; L287-L290 PolarHBondContact O-N 3.35Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 2.98Å; L290-V294 WeakPolarHBondContact O-CB 3.48Å; L290-V294 VanDerWaalsContact O-CG2 3.25Å; L290-V294 WeakPolarHBondContact O-CG2 3.33Å; L290-V294 PolarHBondContact O-N 3Å
291K97.8Very high97.8Very high115 Ų115104.2 Ų104.250%0.551%0.506SS..Hα-helixtrans-67.8-45.7171.1-69.9169.5-162.3163.10111.1L287 E288 E293 V294 E295L287-K291 WeakPolarHBondContact O-CG 3.39Å; L287-K291 PolarHBondContact O-N 2.95Å; E288-K291 WeakPolarHBondContact O-CB 3.41Å; E288-K291 PolarHBondContact O-N 3.32Å; E288-K291 IonicContact OE1-NZ 2.66Å; E288-K291 IonicContact OE2-NZ 3.58Å; E288-K291 PolarHBondContact OE2-NZ 2.93Å; K291-E293 VanDerWaalsContact C-N 3.3Å; K291-E293 PolarHBondContact O-N 3.48Å; K291-V294 PolarHBondContact O-N 3.38Å; K291-E295 PolarHBondContact O-N 3.19Å
292E98Very high97.8Very high129 Ų129105.3 Ų105.360%0.60352%0.515SS*.Hα-helixtrans-58.4-43.3176.7-67.2176.2166.200111.1E288 R289 E295 S296E288-E292 PolarHBondContact O-N 2.93Å; R289-E292 PolarHBondContact O-N 3.19Å; E292-E295 PolarHBondContact O-N 3.35Å; E292-S296 WeakPolarHBondContact O-CB 3.4Å; E292-S296 PolarHBondContact O-N 3.47Å
293E98.1Very high97.8Very high131 Ų131107 Ų10761%0.61251%0.514SS*.Hα-helixtrans-62.7-42.6174.9-171.1178.8173.800112.2R289 K291 S296 A297R289-E293 PolarHBondContact O-N 2.99Å; K291-E293 VanDerWaalsContact C-N 3.3Å; K291-E293 PolarHBondContact O-N 3.48Å; E293-S296 PolarHBondContact O-N 3.47Å; E293-A297 VanDerWaalsContact O-CB 3.31Å; E293-A297 WeakPolarHBondContact O-CB 3.42Å; E293-A297 PolarHBondContact O-N 3.24Å
294V97.9Very high97.8Very high89 Ų89108.3 Ų108.354%0.53952%0.52SS..Hα-helixtrans-66.4-37.9175.9166.90000112L290 K291 N298L290-V294 WeakPolarHBondContact O-CB 3.48Å; L290-V294 VanDerWaalsContact O-CG2 3.25Å; L290-V294 WeakPolarHBondContact O-CG2 3.33Å; L290-V294 PolarHBondContact O-N 3Å; K291-V294 PolarHBondContact O-N 3.38Å; V294-N298 WeakPolarHBondContact O-CB 3.49Å; V294-N298 PolarHBondContact O-N 3.45Å; V294-N298 PolarHBondContact O-ND2 3.26Å
295E97.6Very high97.9Very high153 Ų153107.1 Ų107.172%0.71552%0.517SS*.Hα-helixtrans-65-47.9175.7-170166-47.800110.8K291 E292 A297 N298 E299K291-E295 PolarHBondContact O-N 3.19Å; E292-E295 PolarHBondContact O-N 3.35Å; E295-A297 PolarHBondContact O-N 3.5Å; E295-N298 WeakPolarHBondContact O-CB 3.48Å; E295-N298 PolarHBondContact O-N 2.88Å; E295-N298 VanDerWaalsContact O-N 3.14Å; E295-E299 PolarHBondContact O-N 3.38Å
296S98Very high97.9Very high52 Ų52104.3 Ų104.336%0.36451%0.507SS..Hα-helixtrans-58.2-44.8174.3-176.40000112.4E292 E293 N298 E299 F300E292-S296 WeakPolarHBondContact O-CB 3.4Å; E292-S296 PolarHBondContact O-N 3.47Å; E293-S296 PolarHBondContact O-N 3.47Å; S296-N298 VanDerWaalsContact C-N 3.31Å; S296-N298 PolarHBondContact O-N 2.89Å; S296-E299 PolarHBondContact O-N 2.95Å; S296-F300 WeakPolarHBondContact O-CD2 3.21Å; S296-F300 PolarHBondContact O-N 3.01Å; S296-F300 WeakPolarHBondContact OG-CE2 3.38Å
297A97.6Very high97.9Very high56 Ų56106 Ų10646%0.46352%0.519SS..Hα-helixtrans-62.6-35.9176.200000112.8E293 E295 K301E293-A297 VanDerWaalsContact O-CB 3.31Å; E293-A297 WeakPolarHBondContact O-CB 3.42Å; E293-A297 PolarHBondContact O-N 3.24Å; E295-A297 PolarHBondContact O-N 3.5Å; A297-K301 WeakPolarHBondContact O-CB 3.38Å; A297-K301 PolarHBondContact O-N 2.95Å
298N97.6Very high98Very high95 Ų95104.9 Ų104.951%0.50852%0.516SS..Hα-helixtrans-69.2-38173.8-77-52.7000112.1V294 E295 S296 K301 F302V294-N298 WeakPolarHBondContact O-CB 3.49Å; V294-N298 PolarHBondContact O-N 3.45Å; V294-N298 PolarHBondContact O-ND2 3.26Å; E295-N298 WeakPolarHBondContact O-CB 3.48Å; E295-N298 PolarHBondContact O-N 2.88Å; E295-N298 VanDerWaalsContact O-N 3.14Å; S296-N298 VanDerWaalsContact C-N 3.31Å; S296-N298 PolarHBondContact O-N 2.89Å; N298-K301 PolarHBondContact O-N 2.94Å; N298-F302 PolarHBondContact O-N 3.42Å
299E98.1Very high98Very high117 Ų117105 Ų10555%0.54752%0.516SS..Hα-helixtrans-64.5-48.5174.7-162.5-169159.500111.3E295 S296 K301 F302 Q303E295-E299 PolarHBondContact O-N 3.38Å; S296-E299 PolarHBondContact O-N 2.95Å; E299-K301 VanDerWaalsContact C-N 3.25Å; E299-K301 PolarHBondContact O-N 3.3Å; E299-F302 WeakPolarHBondContact O-CB 3.31Å; E299-F302 PolarHBondContact O-N 2.98Å; E299-F302 VanDerWaalsContact O-N 3.09Å; E299-Q303 WeakPolarHBondContact O-CG 3.43Å; E299-Q303 PolarHBondContact O-N 2.83Å; E299-Q303 PolarHBondContact OE1-NE2 3.44Å
300F97.5Very high98Very high132 Ų132104.3 Ų104.358%0.57952%0.517SS*.Hα-helixtrans-58.4-37.7175-78.6-60.1000112.5S296 Q303 K304S296-F300 WeakPolarHBondContact O-CD2 3.21Å; S296-F300 PolarHBondContact O-N 3.01Å; S296-F300 WeakPolarHBondContact OG-CE2 3.38Å; F300-Q303 PolarHBondContact O-N 2.71Å; F300-K304 WeakPolarHBondContact O-CB 3.49Å; F300-K304 PolarHBondContact O-N 3.05Å
301K97.9Very high98Very high124 Ų124105 Ų10554%0.53952%0.521SS..Hα-helixtrans-63.3-47173.6-176.2-175.9173.4-170.70111.5A297 N298 E299 Q303 K304 D305A297-K301 WeakPolarHBondContact O-CB 3.38Å; A297-K301 PolarHBondContact O-N 2.95Å; N298-K301 PolarHBondContact O-N 2.94Å; E299-K301 VanDerWaalsContact C-N 3.25Å; E299-K301 PolarHBondContact O-N 3.3Å; K301-Q303 VanDerWaalsContact C-N 3.34Å; K301-Q303 PolarHBondContact O-N 3.34Å; K301-K304 WeakPolarHBondContact O-CB 3.26Å; K301-K304 PolarHBondContact O-N 2.74Å; K301-D305 WeakPolarHBondContact O-CB 3.45Å; K301-D305 VanDerWaalsContact O-CG 3.27Å; K301-D305 PolarHBondContact O-N 2.97Å
302F97.9Very high98Very high145 Ų145106.1 Ų106.164%0.63653%0.526SS*.Hα-helixtrans-60.8-41.6176.9178.1-97.9000112.3N298 E299 D305 T306N298-F302 PolarHBondContact O-N 3.42Å; E299-F302 WeakPolarHBondContact O-CB 3.31Å; E299-F302 PolarHBondContact O-N 2.98Å; E299-F302 VanDerWaalsContact O-N 3.09Å; F302-D305 PolarHBondContact O-N 2.67Å; F302-T306 WeakPolarHBondContact O-CB 3.45Å; F302-T306 PolarHBondContact O-N 3.17Å; F302-T306 PolarHBondContact O-OG1 3.19Å
303Q98.2Very high98Very high83 Ų83105.2 Ų105.239%0.38852%0.522SS..Hα-helixtrans-62.9-44.8174.3-67.4179.417.300111.4E299 F300 K301 T306 L307E299-Q303 WeakPolarHBondContact O-CG 3.43Å; E299-Q303 PolarHBondContact O-N 2.83Å; E299-Q303 PolarHBondContact OE1-NE2 3.44Å; F300-Q303 PolarHBondContact O-N 2.71Å; K301-Q303 VanDerWaalsContact C-N 3.34Å; K301-Q303 PolarHBondContact O-N 3.34Å; Q303-T306 PolarHBondContact O-N 3.41Å; Q303-L307 WeakPolarHBondContact O-CG 3.47Å; Q303-L307 PolarHBondContact O-N 3.39Å
304K98.3Very high98Very high140 Ų140102.1 Ų102.161%0.60951%0.512SS*.Hα-helixtrans-60.2-46.8175.5178.2-174.5174.9-178.50112.1F300 K301 T306 L307 T308F300-K304 WeakPolarHBondContact O-CB 3.49Å; F300-K304 PolarHBondContact O-N 3.05Å; K301-K304 WeakPolarHBondContact O-CB 3.26Å; K301-K304 PolarHBondContact O-N 2.74Å; K304-T306 VanDerWaalsContact C-N 3.32Å; K304-T306 PolarHBondContact O-N 2.89Å; K304-L307 PolarHBondContact O-N 3.41Å; K304-T308 WeakPolarHBondContact O-CB 3.32Å; K304-T308 PolarHBondContact O-N 2.77Å; K304-T308 PolarHBondContact O-OG1 2.94Å
305D98.1Very high98Very high84 Ų84102.5 Ų102.545%0.44951%0.507SS..Hα-helixtrans-64.9-40.3-179.3-67.9-16.4000110.2K301 F302 T308 Q309K301-D305 WeakPolarHBondContact O-CB 3.45Å; K301-D305 VanDerWaalsContact O-CG 3.27Å; K301-D305 PolarHBondContact O-N 2.97Å; F302-D305 PolarHBondContact O-N 2.67Å; D305-T308 PolarHBondContact O-N 3.2Å; D305-Q309 PolarHBondContact O-N 3.23Å
306T98.4Very high98.1Very high52 Ų5298.2 Ų98.232%0.31949%0.494SS..Hα-helixtrans-62.1-45.1173.9-59.50000112.8F302 Q303 K304 Q309 K310F302-T306 WeakPolarHBondContact O-CB 3.45Å; F302-T306 PolarHBondContact O-N 3.17Å; F302-T306 PolarHBondContact O-OG1 3.19Å; Q303-T306 PolarHBondContact O-N 3.41Å; K304-T306 VanDerWaalsContact C-N 3.32Å; K304-T306 PolarHBondContact O-N 2.89Å; T306-Q309 PolarHBondContact O-N 3.02Å; T306-K310 WeakPolarHBondContact O-CG 3.48Å; T306-K310 PolarHBondContact O-N 3.44Å; T306-K310 VanDerWaalsContact O-N 3.09Å
307L98.1Very high98.1Very high116 Ų116102.8 Ų102.861%0.60750%0.504SS*.Hα-helixtrans-66.1-39.3176.6-73.1172.6000111.7Q303 K304 Q309 K310 L311Q303-L307 WeakPolarHBondContact O-CG 3.47Å; Q303-L307 PolarHBondContact O-N 3.39Å; K304-L307 PolarHBondContact O-N 3.41Å; L307-Q309 VanDerWaalsContact C-N 3.34Å; L307-Q309 PolarHBondContact O-N 2.92Å; L307-K310 PolarHBondContact O-N 3.35Å; L307-L311 WeakPolarHBondContact O-CB 3.39Å; L307-L311 PolarHBondContact O-N 3.49Å
308T98.1Very high98.1Very high78 Ų78103.5 Ų103.548%0.47950%0.5SS..Hα-helixtrans-62.4-41.5176.4-55.30000111.4K304 D305 L311 K312K304-T308 WeakPolarHBondContact O-CB 3.32Å; K304-T308 PolarHBondContact O-N 2.77Å; K304-T308 PolarHBondContact O-OG1 2.94Å; D305-T308 PolarHBondContact O-N 3.2Å; T308-L311 PolarHBondContact O-N 3.04Å; T308-K312 PolarHBondContact O-N 3.38Å; T308-K312 VanDerWaalsContact O-N 3.08Å
309Q98.3Very high98.1Very high97 Ų97105 Ų10545%0.45350%0.503SS..Hα-helixtrans-64-47.1175.3179.859.625.700111.9D305 T306 L307 L311 K312 E313D305-Q309 PolarHBondContact O-N 3.23Å; T306-Q309 PolarHBondContact O-N 3.02Å; L307-Q309 VanDerWaalsContact C-N 3.34Å; L307-Q309 PolarHBondContact O-N 2.92Å; Q309-L311 VanDerWaalsContact C-N 3.32Å; Q309-L311 PolarHBondContact O-N 3.16Å; Q309-K312 PolarHBondContact O-N 2.75Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.42Å; Q309-E313 PolarHBondContact NE2-OE1 2.99Å; Q309-E313 WeakPolarHBondContact O-CG 3.46Å; Q309-E313 PolarHBondContact O-N 2.85Å
310K98.3Very high98.1Very high121 Ų121102.9 Ų102.953%0.52650%0.499SS..Hα-helixtrans-61.9-36.9176.5-74.1-178.8178.2-178.70113.1T306 L307 T314T306-K310 WeakPolarHBondContact O-CG 3.48Å; T306-K310 PolarHBondContact O-N 3.44Å; T306-K310 VanDerWaalsContact O-N 3.09Å; L307-K310 PolarHBondContact O-N 3.35Å; K310-T314 WeakPolarHBondContact O-CB 3.46Å; K310-T314 PolarHBondContact O-N 3.38Å; K310-T314 PolarHBondContact O-OG1 3.47Å
311L98.2Very high98.1Very high97 Ų9799.8 Ų99.851%0.50849%0.488SS..Hα-helixtrans-61.1-52.6174.3178.562.9000110L307 T308 Q309 E313 T314 E315L307-L311 WeakPolarHBondContact O-CB 3.39Å; L307-L311 PolarHBondContact O-N 3.49Å; T308-L311 PolarHBondContact O-N 3.04Å; Q309-L311 VanDerWaalsContact C-N 3.32Å; Q309-L311 PolarHBondContact O-N 3.16Å; L311-E313 VanDerWaalsContact C-N 3.33Å; L311-E313 PolarHBondContact O-N 3.04Å; L311-T314 CarbonylContact O-C 3.5Å; L311-T314 WeakPolarHBondContact O-CA 3.28Å; L311-T314 WeakPolarHBondContact O-CB 3.39Å; L311-T314 PolarHBondContact O-N 3.34Å; L311-E315 HydrophobicContact CD1-CG 4.32Å; L311-E315 HydrophobicContact CG-CG 4.43Å; L311-E315 WeakPolarHBondContact O-CG 3.34Å; L311-E315 PolarHBondContact O-N 3.21Å
312K98.2Very high98.2Very high138 Ų13899.8 Ų99.860%0.649%0.49SS*.Hα-helixtrans-59.6-39.2179.2-173.5179.3179.3-177.80113.5T308 Q309 T314 S316T308-K312 PolarHBondContact O-N 3.38Å; T308-K312 VanDerWaalsContact O-N 3.08Å; Q309-K312 PolarHBondContact O-N 2.75Å; K312-T314 VanDerWaalsContact C-N 3.35Å; K312-S316 WeakPolarHBondContact O-CB 3.35Å; K312-S316 PolarHBondContact O-N 3.48Å
313E98.3Very high98.2Very high110 Ų11095.8 Ų95.851%0.51448%0.484SS..Hα-helixtrans-63.7-40.7173.2-74.7169.3-169.300111.8Q309 L311 R317Q309-E313 WeakPolarHBondContact CG-OE1 3.42Å; Q309-E313 PolarHBondContact NE2-OE1 2.99Å; Q309-E313 WeakPolarHBondContact O-CG 3.46Å; Q309-E313 PolarHBondContact O-N 2.85Å; L311-E313 VanDerWaalsContact C-N 3.33Å; L311-E313 PolarHBondContact O-N 3.04Å; E313-R317 WeakPolarHBondContact O-CB 3.39Å; E313-R317 PolarHBondContact O-N 3.05Å
314T97.7Very high98.2Very high66 Ų6697 Ų9741%0.40549%0.489SS..Hα-helixtrans-68.8-41.9177.5-55.70000111.7K310 L311 K312 R317 N318K310-T314 WeakPolarHBondContact O-CB 3.46Å; K310-T314 PolarHBondContact O-N 3.38Å; K310-T314 PolarHBondContact O-OG1 3.47Å; L311-T314 CarbonylContact O-C 3.5Å; L311-T314 WeakPolarHBondContact O-CA 3.28Å; L311-T314 WeakPolarHBondContact O-CB 3.39Å; L311-T314 PolarHBondContact O-N 3.34Å; K312-T314 VanDerWaalsContact C-N 3.35Å; T314-R317 PolarHBondContact O-N 3.03Å; T314-N318 PolarHBondContact O-N 3.09Å
315E98.2Very high98.2Very high96 Ų9695.1 Ų95.145%0.44949%0.486SS..Hα-helixtrans-60.3-48.1174.4-72.2170.6167.500111.5L311 R317 N318 Q319L311-E315 HydrophobicContact CD1-CG 4.32Å; L311-E315 HydrophobicContact CG-CG 4.43Å; L311-E315 WeakPolarHBondContact O-CG 3.34Å; L311-E315 PolarHBondContact O-N 3.21Å; E315-R317 VanDerWaalsContact C-N 3.31Å; E315-R317 PolarHBondContact O-N 3.29Å; E315-N318 PolarHBondContact O-N 2.72Å; E315-Q319 WeakPolarHBondContact O-CG 3.42Å; E315-Q319 PolarHBondContact O-N 2.9Å
316S98.3Very high98.2Very high63 Ų6394.5 Ų94.544%0.44149%0.488SS..Hα-helixtrans-62.8-37.2177.2-179.10000112.4K312 T320K312-S316 WeakPolarHBondContact O-CB 3.35Å; K312-S316 PolarHBondContact O-N 3.48Å; S316-T320 PolarHBondContact O-N 3.05Å; S316-T320 VanDerWaalsContact O-N 3.07Å; S316-T320 PolarHBondContact O-OG1 3.15Å
317R98.3Very high98.2Very high149 Ų14994.8 Ų94.856%0.56249%0.487SS*.Hα-helixtrans-67.9-39.3174.3-165.4-179.569.283.17.9112E313 T314 E315 T320 L321E313-R317 WeakPolarHBondContact O-CB 3.39Å; E313-R317 PolarHBondContact O-N 3.05Å; T314-R317 PolarHBondContact O-N 3.03Å; E315-R317 VanDerWaalsContact C-N 3.31Å; E315-R317 PolarHBondContact O-N 3.29Å; R317-T320 PolarHBondContact O-N 2.99Å; R317-L321 WeakPolarHBondContact O-CG 3.28Å; R317-L321 PolarHBondContact O-N 3.44Å
318N98.3Very high98.1Very high70 Ų7094.1 Ų94.137%0.37448%0.484SS..Hα-helixtrans-64.3-47.5174.6-78.5-2.9000111.4T314 E315 T320 L321 E322T314-N318 PolarHBondContact O-N 3.09Å; E315-N318 PolarHBondContact O-N 2.72Å; N318-T320 PolarHBondContact O-N 3.41Å; N318-L321 CarbonylContact O-C 3.57Å; N318-L321 WeakPolarHBondContact O-CA 3.5Å; N318-L321 PolarHBondContact O-N 2.93Å; N318-E322 WeakPolarHBondContact O-CG 3.34Å; N318-E322 PolarHBondContact O-N 2.97Å
319Q98.3Very high98.1Very high126 Ų12696.6 Ų96.659%0.58949%0.49SS*.Hα-helixtrans-55.6-38.6174.6-72171.1-5.600112.4E315 A323E315-Q319 WeakPolarHBondContact O-CG 3.42Å; E315-Q319 PolarHBondContact O-N 2.9Å; Q319-A323 WeakPolarHBondContact O-CB 3.21Å; Q319-A323 PolarHBondContact O-N 3.37Å
320T98.1Very high98.1Very high73 Ų7398.4 Ų98.445%0.44850%0.498SS..Hα-helixtrans-66.5-41.2175.9-55.40000111.8S316 R317 N318 Q324S316-T320 PolarHBondContact O-N 3.05Å; S316-T320 VanDerWaalsContact O-N 3.07Å; S316-T320 PolarHBondContact O-OG1 3.15Å; R317-T320 PolarHBondContact O-N 2.99Å; N318-T320 PolarHBondContact O-N 3.41Å; T320-Q324 WeakPolarHBondContact O-CG 3.43Å; T320-Q324 PolarHBondContact O-N 2.68Å
321L97.9Very high98.1Very high68 Ų68100 Ų10036%0.35650%0.501SS..Hα-helixtrans-69.7-39.1177-71.7170.6000112.3R317 N318 Q324 L325R317-L321 WeakPolarHBondContact O-CG 3.28Å; R317-L321 PolarHBondContact O-N 3.44Å; N318-L321 CarbonylContact O-C 3.57Å; N318-L321 WeakPolarHBondContact O-CA 3.5Å; N318-L321 PolarHBondContact O-N 2.93Å; L321-Q324 PolarHBondContact O-N 3.08Å; L321-L325 WeakPolarHBondContact O-CB 3.28Å; L321-L325 WeakPolarHBondContact O-CG 3.43Å; L321-L325 PolarHBondContact O-N 3.14Å
322E98.1Very high98.1Very high123 Ų123100.3 Ų100.358%0.57550%0.503SS*.Hα-helixtrans-61.3-44.1174.3-72.9165.9-174.900111N318 Q324 L325 S326N318-E322 WeakPolarHBondContact O-CG 3.34Å; N318-E322 PolarHBondContact O-N 2.97Å; E322-Q324 PolarHBondContact O-N 3.49Å; E322-L325 PolarHBondContact O-N 2.9Å; E322-S326 WeakPolarHBondContact O-CB 3.47Å; E322-S326 PolarHBondContact O-N 3.3Å
323A98.1Very high98.1Very high62 Ų6299.5 Ų99.551%0.51250%0.501SS..Hα-helixtrans-63.6-39.4174.300000112.7Q319 S326 D327Q319-A323 WeakPolarHBondContact O-CB 3.21Å; Q319-A323 PolarHBondContact O-N 3.37Å; A323-S326 PolarHBondContact O-N 3.17Å; A323-D327 PolarHBondContact O-N 3.39Å; A323-D327 VanDerWaalsContact O-N 3.08Å
324Q98.3Very high98Very high107 Ų10797 Ų9750%0.550%0.495SS..Hα-helixtrans-67.2-39.8175-76.1177.1-10.400112.6T320 L321 E322 L328T320-Q324 WeakPolarHBondContact O-CG 3.43Å; T320-Q324 PolarHBondContact O-N 2.68Å; L321-Q324 PolarHBondContact O-N 3.08Å; E322-Q324 PolarHBondContact O-N 3.49Å; Q324-L328 WeakPolarHBondContact O-CB 3.5Å; Q324-L328 VanDerWaalsContact O-CG 3.29Å; Q324-L328 WeakPolarHBondContact O-CG 3.41Å; Q324-L328 PolarHBondContact O-N 3.1Å
325L98.1Very high98Very high102 Ų10297 Ų9753%0.53450%0.499SS..Hα-helixtrans-62.8-45.9174.8-75.5169000110.8L321 E322 D327 L328 E329L321-L325 WeakPolarHBondContact O-CB 3.28Å; L321-L325 WeakPolarHBondContact O-CG 3.43Å; L321-L325 PolarHBondContact O-N 3.14Å; E322-L325 PolarHBondContact O-N 2.9Å; L325-D327 PolarHBondContact O-N 3.27Å; L325-L328 PolarHBondContact O-N 2.9Å; L325-E329 WeakPolarHBondContact O-CB 3.48Å; L325-E329 WeakPolarHBondContact O-CG 3.31Å; L325-E329 PolarHBondContact O-N 2.99Å
326S98.2Very high98Very high70 Ų7097.7 Ų97.749%0.4950%0.502SS..Hα-helixtrans-62.2-40.9178.5-174.40000113.1E322 A323 E329 Q330E322-S326 WeakPolarHBondContact O-CB 3.47Å; E322-S326 PolarHBondContact O-N 3.3Å; A323-S326 PolarHBondContact O-N 3.17Å; S326-E329 PolarHBondContact O-N 3.31Å; S326-Q330 WeakPolarHBondContact O-CB 3.49Å; S326-Q330 PolarHBondContact O-N 3.37Å
327D98.3Very high98Very high59 Ų5999.7 Ų99.732%0.31651%0.507SS..Hα-helixtrans-63.7-40.1173167.374000112.2A323 L325 R331A323-D327 PolarHBondContact O-N 3.39Å; A323-D327 VanDerWaalsContact O-N 3.08Å; L325-D327 PolarHBondContact O-N 3.27Å; D327-R331 VanDerWaalsContact CG-NE 3.25Å; D327-R331 WeakPolarHBondContact O-CB 3.4Å; D327-R331 WeakPolarHBondContact O-CG 3.3Å; D327-R331 PolarHBondContact O-N 3.02Å; D327-R331 IonicContact OD1-CZ 3.01Å; D327-R331 IonicContact OD1-NE 3.07Å; D327-R331 PolarHBondContact OD1-NE 2.95Å; D327-R331 IonicContact OD1-NH2 2.83Å; D327-R331 PolarHBondContact OD1-NH2 3.09Å; D327-R331 IonicContact OD2-CZ 2.6Å; D327-R331 IonicContact OD2-NE 3.83Å; D327-R331 PolarHBondContact OD2-NE 2.91Å; D327-R331 IonicContact OD2-NH1 2.79Å; D327-R331 IonicContact OD2-NH2 3.2Å; D327-R331 PolarHBondContact OD2-NH2 3.44Å
328L97.7Very high97.9Very high102 Ų10298.5 Ų98.553%0.53451%0.508SS..Hα-helixtrans-68.6-40176-71.9173.4000112.6Q324 L325 R331 L332Q324-L328 WeakPolarHBondContact O-CB 3.5Å; Q324-L328 VanDerWaalsContact O-CG 3.29Å; Q324-L328 WeakPolarHBondContact O-CG 3.41Å; Q324-L328 PolarHBondContact O-N 3.1Å; L325-L328 PolarHBondContact O-N 2.9Å; L328-R331 PolarHBondContact O-N 2.89Å; L328-L332 WeakPolarHBondContact O-CB 3.34Å; L328-L332 PolarHBondContact O-N 2.95Å
329E97.6Very high97.9Very high130 Ų130104.2 Ų104.261%0.60752%0.524SS*.Hα-helixtrans-61.8-47.2174.3-74.7173165.100110.9L325 S326 R331 L332 E333L325-E329 WeakPolarHBondContact O-CB 3.48Å; L325-E329 WeakPolarHBondContact O-CG 3.31Å; L325-E329 PolarHBondContact O-N 2.99Å; S326-E329 PolarHBondContact O-N 3.31Å; E329-R331 PolarHBondContact O-N 3.31Å; E329-L332 WeakPolarHBondContact O-CB 3.33Å; E329-L332 PolarHBondContact O-N 2.93Å; E329-E333 PolarHBondContact O-N 2.95Å
330Q98.1Very high97.9Very high134 Ų134103 Ų10363%0.62652%0.519SS*.Hα-helixtrans-62.4-40.9177.6-171.1179.81600112.4S326 E333 S334S326-Q330 WeakPolarHBondContact O-CB 3.49Å; S326-Q330 PolarHBondContact O-N 3.37Å; Q330-E333 PolarHBondContact O-N 2.94Å; Q330-S334 PolarHBondContact O-N 3.2Å
331R98.1Very high97.8Very high156 Ų156102.3 Ų102.359%0.58952%0.52SS*.Hα-helixtrans-66-38.9175.3-72171-166.6-159.49.8112.2D327 L328 E329 S335D327-R331 VanDerWaalsContact CG-NE 3.25Å; D327-R331 WeakPolarHBondContact O-CB 3.4Å; D327-R331 WeakPolarHBondContact O-CG 3.3Å; D327-R331 PolarHBondContact O-N 3.02Å; D327-R331 IonicContact OD1-CZ 3.01Å; D327-R331 IonicContact OD1-NE 3.07Å; D327-R331 PolarHBondContact OD1-NE 2.95Å; D327-R331 IonicContact OD1-NH2 2.83Å; D327-R331 PolarHBondContact OD1-NH2 3.09Å; D327-R331 IonicContact OD2-CZ 2.6Å; D327-R331 IonicContact OD2-NE 3.83Å; D327-R331 PolarHBondContact OD2-NE 2.91Å; D327-R331 IonicContact OD2-NH1 2.79Å; D327-R331 IonicContact OD2-NH2 3.2Å; D327-R331 PolarHBondContact OD2-NH2 3.44Å; L328-R331 PolarHBondContact O-N 2.89Å; E329-R331 PolarHBondContact O-N 3.31Å; R331-S335 WeakPolarHBondContact O-CB 3.47Å; R331-S335 PolarHBondContact O-N 3.29Å
332L97.8Very high97.8Very high103 Ų103106.3 Ų106.354%0.53953%0.532SS..Hα-helixtrans-64.4-44.9176.3179.761.9000110.8L328 E329 S335 Q336L328-L332 WeakPolarHBondContact O-CB 3.34Å; L328-L332 PolarHBondContact O-N 2.95Å; E329-L332 WeakPolarHBondContact O-CB 3.33Å; E329-L332 PolarHBondContact O-N 2.93Å; L332-S335 PolarHBondContact O-N 3.26Å; L332-Q336 VanDerWaalsContact O-CG 3.29Å; L332-Q336 WeakPolarHBondContact O-CG 3.47Å; L332-Q336 PolarHBondContact O-N 3.11Å
333E97.8Very high97.8Very high120 Ų120104.1 Ų104.156%0.56152%0.522SS*.Hα-helixtrans-61.7-46.8175.6-173.4174.9-147.900111.7E329 Q330 S335 Q336 L337E329-E333 PolarHBondContact O-N 2.95Å; Q330-E333 PolarHBondContact O-N 2.94Å; E333-S335 VanDerWaalsContact C-N 3.33Å; E333-S335 PolarHBondContact O-N 2.95Å; E333-Q336 WeakPolarHBondContact O-CB 3.41Å; E333-Q336 PolarHBondContact O-N 3.05Å; E333-Q336 VanDerWaalsContact O-N 3.16Å; E333-L337 HydrophobicContact CG-CD1 4.23Å; E333-L337 WeakPolarHBondContact O-CG 3.43Å; E333-L337 PolarHBondContact O-N 2.84Å
334S97.6Very high97.8Very high57 Ų57107.1 Ų107.140%0.39952%0.524SS..Hα-helixtrans-56.9-45.8174.8-165.80000111.9Q330 Q336 L337 E338Q330-S334 PolarHBondContact O-N 3.2Å; S334-Q336 VanDerWaalsContact C-N 3.33Å; S334-Q336 PolarHBondContact O-N 3.44Å; S334-L337 PolarHBondContact O-N 3.12Å; S334-E338 WeakPolarHBondContact O-CB 3.4Å; S334-E338 WeakPolarHBondContact O-CG 3.5Å; S334-E338 PolarHBondContact O-N 2.96Å; S334-E338 PolarHBondContact OG-OE1 3.12Å
335S97.5Very high97.7Very high68 Ų68105.8 Ų105.848%0.47653%0.526SS..Hα-helixtrans-65.9-34.3178.8-171.20000112.7R331 L332 E333 R339R331-S335 WeakPolarHBondContact O-CB 3.47Å; R331-S335 PolarHBondContact O-N 3.29Å; L332-S335 PolarHBondContact O-N 3.26Å; E333-S335 VanDerWaalsContact C-N 3.33Å; E333-S335 PolarHBondContact O-N 2.95Å; S335-R339 VanDerWaalsContact O-CB 3.27Å; S335-R339 WeakPolarHBondContact O-CB 3.28Å; S335-R339 PolarHBondContact O-N 2.89Å
336Q97.6Very high97.7Very high110 Ų110104.1 Ų104.151%0.51452%0.517SS..Hα-helixtrans-66.4-46172.7-72.8175.113.900111.4L332 E333 S334 R339 E340L332-Q336 VanDerWaalsContact O-CG 3.29Å; L332-Q336 WeakPolarHBondContact O-CG 3.47Å; L332-Q336 PolarHBondContact O-N 3.11Å; E333-Q336 WeakPolarHBondContact O-CB 3.41Å; E333-Q336 PolarHBondContact O-N 3.05Å; E333-Q336 VanDerWaalsContact O-N 3.16Å; S334-Q336 VanDerWaalsContact C-N 3.33Å; S334-Q336 PolarHBondContact O-N 3.44Å; Q336-R339 PolarHBondContact O-N 3.07Å; Q336-E340 PolarHBondContact O-N 2.84Å
337L97.8Very high97.6Very high104 Ų104107 Ų10755%0.54552%0.518SS..Hα-helixtrans-62.4-43.2177.2-70.2171.3000112.2E333 S334 E340 A341E333-L337 HydrophobicContact CG-CD1 4.23Å; E333-L337 WeakPolarHBondContact O-CG 3.43Å; E333-L337 PolarHBondContact O-N 2.84Å; S334-L337 PolarHBondContact O-N 3.12Å; L337-E340 PolarHBondContact O-N 3.35Å; L337-A341 WeakPolarHBondContact O-CB 3.28Å; L337-A341 PolarHBondContact O-N 3.38Å
338E97.6Very high97.6Very high125 Ų125107.7 Ų107.758%0.58453%0.527SS*.Hα-helixtrans-59.6-44.9173-75.9169.4-152.700111.7S334 E340 A341 Y342S334-E338 WeakPolarHBondContact O-CB 3.4Å; S334-E338 WeakPolarHBondContact O-CG 3.5Å; S334-E338 PolarHBondContact O-N 2.96Å; S334-E338 PolarHBondContact OG-OE1 3.12Å; E338-E340 PolarHBondContact O-N 3.36Å; E338-A341 PolarHBondContact O-N 3Å; E338-Y342 WeakPolarHBondContact O-CB 3.43Å; E338-Y342 PolarHBondContact O-N 3.32Å
339R97.3Very high97.6Very high190 Ų190107.1 Ų107.172%0.71752%0.524SS*.Hα-helixtrans-64.6-39.5177.4-171.5178.9-170.4137.22.7112.1S335 Q336 M343S335-R339 VanDerWaalsContact O-CB 3.27Å; S335-R339 WeakPolarHBondContact O-CB 3.28Å; S335-R339 PolarHBondContact O-N 2.89Å; Q336-R339 PolarHBondContact O-N 3.07Å; R339-M343 WeakPolarHBondContact O-CB 3.43Å; R339-M343 VanDerWaalsContact O-CG 3.27Å; R339-M343 WeakPolarHBondContact O-CG 3.18Å; R339-M343 PolarHBondContact O-N 3.28Å
340E97.7Very high97.5Very high101 Ų101105.2 Ų105.247%0.47252%0.518SS..Hα-helixtrans-64.5-43.5173.2-80.4-162.7-167.200112.6Q336 L337 E338 M343 K344Q336-E340 PolarHBondContact O-N 2.84Å; L337-E340 PolarHBondContact O-N 3.35Å; E338-E340 PolarHBondContact O-N 3.36Å; E340-M343 PolarHBondContact O-N 3.28Å; E340-K344 VanDerWaalsContact O-CG 3.32Å; E340-K344 WeakPolarHBondContact O-CG 3.44Å; E340-K344 PolarHBondContact O-N 3.28Å; E340-K344 IonicContact OE2-NZ 2.84Å; E340-K344 PolarHBondContact OE2-NZ 2.92Å
341A97.5Very high97.5Very high58 Ų58105 Ų10548%0.47952%0.516SS..Hα-helixtrans-62-44.6177.100000111L337 E338 K344 S345L337-A341 WeakPolarHBondContact O-CB 3.28Å; L337-A341 PolarHBondContact O-N 3.38Å; E338-A341 PolarHBondContact O-N 3Å; A341-K344 PolarHBondContact O-N 2.88Å; A341-S345 PolarHBondContact O-N 3.48Å
342Y97.6Very high97.4Very high152 Ų152103 Ų10360%0.59652%0.517SS*.Hα-helixtrans-59.5-46172.9-178.7-97.2000111.9E338 K344 S345 L346E338-Y342 WeakPolarHBondContact O-CB 3.43Å; E338-Y342 PolarHBondContact O-N 3.32Å; Y342-K344 VanDerWaalsContact C-N 3.32Å; Y342-K344 PolarHBondContact O-N 2.82Å; Y342-S345 PolarHBondContact O-N 2.87Å; Y342-L346 HydrophobicContact CE1-CD2 4.43Å; Y342-L346 WeakPolarHBondContact O-CB 3.34Å; Y342-L346 PolarHBondContact O-N 3.36Å
343M97.6Very high97.4Very high77 Ų77102.4 Ų102.438%0.37951%0.514SS..Hα-helixtrans-64.4-32.7176.3-75-65.3-62.500113.2R339 E340 R347R339-M343 WeakPolarHBondContact O-CB 3.43Å; R339-M343 VanDerWaalsContact O-CG 3.27Å; R339-M343 WeakPolarHBondContact O-CG 3.18Å; R339-M343 PolarHBondContact O-N 3.28Å; E340-M343 PolarHBondContact O-N 3.28Å; M343-R347 VanDerWaalsContact O-CG 3.32Å; M343-R347 WeakPolarHBondContact O-CG 3.27Å; M343-R347 PolarHBondContact O-N 3.36Å; M343-R347 PolarHBondContact O-NH1 2.73Å
344K97.6Very high97.4Very high124 Ų124101.7 Ų101.754%0.53951%0.514SS..Hα-helixtrans-68.7-45.1172.8-73.2163.4-172.3156.40110.8E340 A341 Y342 L346 R347 S348E340-K344 VanDerWaalsContact O-CG 3.32Å; E340-K344 WeakPolarHBondContact O-CG 3.44Å; E340-K344 PolarHBondContact O-N 3.28Å; E340-K344 IonicContact OE2-NZ 2.84Å; E340-K344 PolarHBondContact OE2-NZ 2.92Å; A341-K344 PolarHBondContact O-N 2.88Å; Y342-K344 VanDerWaalsContact C-N 3.32Å; Y342-K344 PolarHBondContact O-N 2.82Å; K344-L346 PolarHBondContact O-N 3.36Å; K344-R347 PolarHBondContact O-N 2.92Å; K344-S348 PolarHBondContact O-N 2.91Å; K344-S348 VanDerWaalsContact O-N 3.1Å
345S97.3Very high97.3Very high80 Ų80102.2 Ų102.256%0.55952%0.517SS*.Hα-helixtrans-61-43.8175.5179.80000112.3A341 Y342 R347 S348 L349A341-S345 PolarHBondContact O-N 3.48Å; Y342-S345 PolarHBondContact O-N 2.87Å; S345-R347 PolarHBondContact O-N 3.34Å; S345-S348 PolarHBondContact O-N 3.37Å; S345-L349 PolarHBondContact O-N 2.92Å
346L97.4Very high97.3Very high66 Ų66104 Ų10435%0.34652%0.517SS..Hα-helixtrans-63.1-40.2177.8-176.562.3000112.5Y342 K344 L349 L350Y342-L346 HydrophobicContact CE1-CD2 4.43Å; Y342-L346 WeakPolarHBondContact O-CB 3.34Å; Y342-L346 PolarHBondContact O-N 3.36Å; K344-L346 PolarHBondContact O-N 3.36Å; L346-L349 PolarHBondContact O-N 2.95Å; L346-L350 HydrophobicContact CG-CD1 4.47Å; L346-L350 WeakPolarHBondContact O-CG 3.47Å; L346-L350 PolarHBondContact O-N 3.01Å
347R97.3Very high97.2Very high132 Ų132103.5 Ų103.550%0.49852%0.516SS..Hα-helixtrans-62.1-46.5173.9-73.3177.2-168.8111.3-8111.8M343 K344 S345 L349 L350 E351M343-R347 VanDerWaalsContact O-CG 3.32Å; M343-R347 WeakPolarHBondContact O-CG 3.27Å; M343-R347 PolarHBondContact O-N 3.36Å; M343-R347 PolarHBondContact O-NH1 2.73Å; K344-R347 PolarHBondContact O-N 2.92Å; S345-R347 PolarHBondContact O-N 3.34Å; R347-L349 VanDerWaalsContact C-N 3.29Å; R347-L349 PolarHBondContact O-N 2.91Å; R347-L350 WeakPolarHBondContact O-CB 3.49Å; R347-L350 PolarHBondContact O-N 2.86Å; R347-L350 VanDerWaalsContact O-N 3.12Å; R347-E351 WeakPolarHBondContact O-CG 3.44Å; R347-E351 PolarHBondContact O-N 3.48Å
348S97.2Very high97.2Very high72 Ų72105.2 Ų105.250%0.50352%0.52SS..Hα-helixtrans-62.2-35.7177.4179.90000112.5K344 S345 L352K344-S348 PolarHBondContact O-N 2.91Å; K344-S348 VanDerWaalsContact O-N 3.1Å; S345-S348 PolarHBondContact O-N 3.37Å; S348-L352 WeakPolarHBondContact O-CB 3.34Å; S348-L352 PolarHBondContact O-N 3.49Å; S348-L352 VanDerWaalsContact O-N 3.08Å
349L97.3Very high97.1Very high91 Ų91103.4 Ų103.448%0.47651%0.511SS..Hα-helixtrans-67.2-38.6173.5-177.462.7000112.2S345 L346 R347 L352 L353S345-L349 PolarHBondContact O-N 2.92Å; L346-L349 PolarHBondContact O-N 2.95Å; R347-L349 VanDerWaalsContact C-N 3.29Å; R347-L349 PolarHBondContact O-N 2.91Å; L349-L352 PolarHBondContact O-N 3.19Å; L349-L353 HydrophobicContact CG-CD1 4.39Å; L349-L353 WeakPolarHBondContact O-CG 3.35Å; L349-L353 PolarHBondContact O-N 3.13Å
350L96.6Very high97Very high90 Ų9099.1 Ų99.147%0.47150%0.502SS..Hα-helixtrans-64.6-46.6174.8-71.6166.5000111.4L346 R347 L352 L353 D354L346-L350 HydrophobicContact CG-CD1 4.47Å; L346-L350 WeakPolarHBondContact O-CG 3.47Å; L346-L350 PolarHBondContact O-N 3.01Å; R347-L350 WeakPolarHBondContact O-CB 3.49Å; R347-L350 PolarHBondContact O-N 2.86Å; R347-L350 VanDerWaalsContact O-N 3.12Å; L350-L352 VanDerWaalsContact C-N 3.26Å; L350-L352 PolarHBondContact O-N 3.01Å; L350-L353 PolarHBondContact O-N 2.97Å; L350-L353 VanDerWaalsContact O-N 3.08Å; L350-D354 PolarHBondContact O-N 3.12Å
351E96.8Very high96.8Very high128 Ų12896.6 Ų96.660%0.59849%0.493SS*.Hα-helixtrans-57.8-37.8175.4-71.5169.6179.500112.5R347 S355R347-E351 WeakPolarHBondContact O-CG 3.44Å; R347-E351 PolarHBondContact O-N 3.48Å; E351-S355 WeakPolarHBondContact O-CB 3.48Å; E351-S355 PolarHBondContact O-N 3.36Å; E351-S355 PolarHBondContact O-OG 2.96Å
352L97.3Very high96.7Very high116 Ų11699.2 Ų99.261%0.60750%0.496SS*.Hα-helixtrans-68.7-40.3175.2-178.164.4000112.2S348 L349 L350 K356S348-L352 WeakPolarHBondContact O-CB 3.34Å; S348-L352 PolarHBondContact O-N 3.49Å; S348-L352 VanDerWaalsContact O-N 3.08Å; L349-L352 PolarHBondContact O-N 3.19Å; L350-L352 VanDerWaalsContact C-N 3.26Å; L350-L352 PolarHBondContact O-N 3.01Å; L352-K356 WeakPolarHBondContact O-CB 3.43Å; L352-K356 PolarHBondContact O-N 3.39Å
353L96.8Very high96.5Very high89 Ų8996.6 Ų96.647%0.46649%0.492SS..Hα-helixtrans-66.2-43.6175.5-73.8170.9000111.6L349 L350 S355 K356 I357L349-L353 HydrophobicContact CG-CD1 4.39Å; L349-L353 WeakPolarHBondContact O-CG 3.35Å; L349-L353 PolarHBondContact O-N 3.13Å; L350-L353 PolarHBondContact O-N 2.97Å; L350-L353 VanDerWaalsContact O-N 3.08Å; L353-S355 VanDerWaalsContact C-N 3.35Å; L353-S355 PolarHBondContact O-N 3.39Å; L353-K356 CarbonylContact O-C 3.55Å; L353-K356 PolarHBondContact O-N 3.32Å; L353-K356 VanDerWaalsContact O-N 3.11Å; L353-I357 VanDerWaalsContact O-CG1 3.29Å; L353-I357 WeakPolarHBondContact O-CG1 3.36Å; L353-I357 PolarHBondContact O-N 2.93Å
354D97.2Very high96.3Very high105 Ų10599.9 Ų99.956%0.56150%0.5SS*.Hα-helixtrans-60.9-44.8176.1-72.6-26.6000111L350 K356 I357 F358L350-D354 PolarHBondContact O-N 3.12Å; D354-K356 VanDerWaalsContact C-N 3.3Å; D354-K356 PolarHBondContact O-N 2.87Å; D354-I357 PolarHBondContact O-N 2.87Å; D354-F358 PolarHBondContact O-N 3.26Å
355S96.9Very high96.1Very high68 Ų6897 Ų9748%0.47649%0.49SS..Hα-helixtrans-57.9-42172.7-59.50000111.7E351 L353 F358 E359E351-S355 WeakPolarHBondContact O-CB 3.48Å; E351-S355 PolarHBondContact O-N 3.36Å; E351-S355 PolarHBondContact O-OG 2.96Å; L353-S355 VanDerWaalsContact C-N 3.35Å; L353-S355 PolarHBondContact O-N 3.39Å; S355-F358 WeakPolarHBondContact O-CB 3.46Å; S355-F358 PolarHBondContact O-N 3.39Å; S355-E359 PolarHBondContact O-N 3.42Å
356K96.9Very high95.8Very high106 Ų10696.1 Ų96.146%0.46148%0.482SS..Hα-helixtrans-72.4-33.9179.7-162.655.4169.7-177.70113.2L352 L353 D354 F358 E359 L360L352-K356 WeakPolarHBondContact O-CB 3.43Å; L352-K356 PolarHBondContact O-N 3.39Å; L353-K356 CarbonylContact O-C 3.55Å; L353-K356 PolarHBondContact O-N 3.32Å; L353-K356 VanDerWaalsContact O-N 3.11Å; D354-K356 VanDerWaalsContact C-N 3.3Å; D354-K356 PolarHBondContact O-N 2.87Å; K356-F358 VanDerWaalsContact C-N 3.32Å; K356-E359 HydrophobicContact CD-CB 4.46Å; K356-E359 VanDerWaalsContact CD-OE2 3.31Å; K356-E359 WeakPolarHBondContact CD-OE2 3.22Å; K356-E359 WeakPolarHBondContact CE-OE2 3.34Å; K356-E359 IonicContact NZ-OE2 3.6Å; K356-E359 PolarHBondContact NZ-OE2 2.9Å; K356-E359 PolarHBondContact O-N 3.49Å; K356-L360 WeakPolarHBondContact O-CB 3.27Å; K356-L360 VanDerWaalsContact O-CG 3.28Å; K356-L360 WeakPolarHBondContact O-CG 3.45Å; K356-L360 PolarHBondContact O-N 3.31Å
357I96.6Very high95.5Very high99 Ų9998.2 Ų98.251%0.50849%0.493SS..Hα-helixtrans-64.3-40.3171.7-70.7162.6000109.9L353 D354 L360 T361L353-I357 VanDerWaalsContact O-CG1 3.29Å; L353-I357 WeakPolarHBondContact O-CG1 3.36Å; L353-I357 PolarHBondContact O-N 2.93Å; D354-I357 PolarHBondContact O-N 2.87Å; I357-L360 PolarHBondContact O-N 3.45Å; I357-T361 WeakPolarHBondContact O-CB 3.49Å; I357-T361 PolarHBondContact O-N 3.47Å; I357-T361 PolarHBondContact O-OG1 3.43Å
358F96.3Very high95Very high141 Ų14194 Ų9462%0.61849%0.486SS*.Hα-helixtrans-61.2-50.7174.6-174.7-89.5000111.7D354 S355 K356 L360 T361 E362D354-F358 PolarHBondContact O-N 3.26Å; S355-F358 WeakPolarHBondContact O-CB 3.46Å; S355-F358 PolarHBondContact O-N 3.39Å; K356-F358 VanDerWaalsContact C-N 3.32Å; F358-L360 VanDerWaalsContact C-N 3.33Å; F358-L360 PolarHBondContact O-N 2.83Å; F358-T361 WeakPolarHBondContact O-CA 3.36Å; F358-T361 WeakPolarHBondContact O-CB 3.38Å; F358-T361 PolarHBondContact O-N 2.96Å; F358-E362 PolarHBondContact O-N 3.13Å
359E96Very high94.6Very high86 Ų8697.8 Ų97.840%0.40249%0.494SS..Hα-helixtrans-55.4-44.8174.8-71.5176.8-154.100112.6S355 K356 T361 E362 L363S355-E359 PolarHBondContact O-N 3.42Å; K356-E359 HydrophobicContact CD-CB 4.46Å; K356-E359 VanDerWaalsContact CD-OE2 3.31Å; K356-E359 WeakPolarHBondContact CD-OE2 3.22Å; K356-E359 WeakPolarHBondContact CE-OE2 3.34Å; K356-E359 IonicContact NZ-OE2 3.6Å; K356-E359 PolarHBondContact NZ-OE2 2.9Å; K356-E359 PolarHBondContact O-N 3.49Å; E359-T361 VanDerWaalsContact C-N 3.28Å; E359-T361 PolarHBondContact O-N 2.84Å; E359-E362 PolarHBondContact O-N 3.48Å; E359-L363 WeakPolarHBondContact O-CB 3.33Å; E359-L363 VanDerWaalsContact O-CG 3.31Å; E359-L363 WeakPolarHBondContact O-CG 3.41Å; E359-L363 PolarHBondContact O-N 3.04Å
360L95.4Very high94Very high101 Ų10199.7 Ų99.753%0.52950%0.504SS..Hα-helixtrans-65.8-32.2177.7-73.1170.3000112.4K356 I357 F358 R364K356-L360 WeakPolarHBondContact O-CB 3.27Å; K356-L360 VanDerWaalsContact O-CG 3.28Å; K356-L360 WeakPolarHBondContact O-CG 3.45Å; K356-L360 PolarHBondContact O-N 3.31Å; I357-L360 PolarHBondContact O-N 3.45Å; F358-L360 VanDerWaalsContact C-N 3.33Å; F358-L360 PolarHBondContact O-N 2.83Å; L360-R364 WeakPolarHBondContact O-CB 3.38Å; L360-R364 PolarHBondContact O-N 3.25Å
361T94.3Very high93.3Very high47 Ų47100.8 Ų100.829%0.28851%0.514SS..Hα-helixtrans-69.6-44.2175.6-58.10000110.5I357 F358 E359 R364 D365I357-T361 WeakPolarHBondContact O-CB 3.49Å; I357-T361 PolarHBondContact O-N 3.47Å; I357-T361 PolarHBondContact O-OG1 3.43Å; F358-T361 WeakPolarHBondContact O-CA 3.36Å; F358-T361 WeakPolarHBondContact O-CB 3.38Å; F358-T361 PolarHBondContact O-N 2.96Å; E359-T361 VanDerWaalsContact C-N 3.28Å; E359-T361 PolarHBondContact O-N 2.84Å; T361-R364 VanDerWaalsContact CG2-NH2 3.32Å; T361-R364 WeakPolarHBondContact O-CB 3.44Å; T361-R364 PolarHBondContact O-N 2.88Å; T361-D365 PolarHBondContact O-N 3.41Å
362E94.5Very high92.3Very high114 Ų114102.6 Ų102.653%0.53352%0.522SS..Hα-helixtrans-65.3-39.7175.2-173.3173.4-158.500112.2F358 E359 D365 T366F358-E362 PolarHBondContact O-N 3.13Å; E359-E362 PolarHBondContact O-N 3.48Å; E362-D365 PolarHBondContact O-N 3.18Å; E362-T366 WeakPolarHBondContact O-CB 3.43Å; E362-T366 WeakPolarHBondContact O-CG2 3.24Å; E362-T366 PolarHBondContact O-N 3.17Å; E362-T366 PolarHBondContact O-OG1 3.33Å
363L93.7Very high90.5Very high97 Ų97100.4 Ų100.451%0.50853%0.528SS..Hα-helixtrans-61.9-42.4172.1-75.7169000112.2E359 T366 L367E359-L363 WeakPolarHBondContact O-CB 3.33Å; E359-L363 VanDerWaalsContact O-CG 3.31Å; E359-L363 WeakPolarHBondContact O-CG 3.41Å; E359-L363 PolarHBondContact O-N 3.04Å; L363-T366 WeakPolarHBondContact CA-OG1 3.4Å; L363-T366 PolarHBondContact O-OG1 3.22Å; L363-L367 WeakPolarHBondContact O-CB 3.42Å; L363-L367 WeakPolarHBondContact O-CD1 3.37Å; L363-L367 VanDerWaalsContact O-CG 3.23Å; L363-L367 WeakPolarHBondContact O-CG 3.38Å; L363-L367 PolarHBondContact O-N 3.26Å
364R93Very high88.3Confident145 Ų145103.8 Ų103.855%0.54756%0.559SS.*Hα-helixtrans-60.8-44.8173.3-179.5-158.668.9-155.5-0.7111.4L360 T361 L367 A368L360-R364 WeakPolarHBondContact O-CB 3.38Å; L360-R364 PolarHBondContact O-N 3.25Å; T361-R364 VanDerWaalsContact CG2-NH2 3.32Å; T361-R364 WeakPolarHBondContact O-CB 3.44Å; T361-R364 PolarHBondContact O-N 2.88Å; R364-L367 PolarHBondContact O-N 3.23Å; R364-A368 WeakPolarHBondContact O-CB 3.44Å; R364-A368 PolarHBondContact O-N 2.9Å
365D93.1Very high87.9Confident64 Ų64103.8 Ų103.834%0.34256%0.559SS.*Hα-helixtrans-74.3-30.7-174.7-66.9-7.1000112.4T361 E362 K369T361-D365 PolarHBondContact O-N 3.41Å; E362-D365 PolarHBondContact O-N 3.18Å; D365-K369 VanDerWaalsContact O-CG 3.31Å; D365-K369 WeakPolarHBondContact O-CG 3.32Å; D365-K369 PolarHBondContact O-N 2.89Å; D365-K369 VanDerWaalsContact O-N 3.14Å
366T92Very high87.4Confident62 Ų62105.6 Ų105.638%0.3856%0.563SS.*Hα-helixtrans-71-39.7170.448.40000112E362 L363 K369 L370E362-T366 WeakPolarHBondContact O-CB 3.43Å; E362-T366 WeakPolarHBondContact O-CG2 3.24Å; E362-T366 PolarHBondContact O-N 3.17Å; E362-T366 PolarHBondContact O-OG1 3.33Å; L363-T366 WeakPolarHBondContact CA-OG1 3.4Å; L363-T366 PolarHBondContact O-OG1 3.22Å; T366-K369 PolarHBondContact O-N 3.09Å; T366-L370 PolarHBondContact O-N 3.48Å; T366-L370 VanDerWaalsContact O-N 3.12Å
367L89.9Confident86.9Confident110 Ų110105.6 Ų105.658%0.57657%0.569SS**Hα-helixtrans-62.9-40.9171.3-73.7169.1000112.1L363 R364 L370 V371L363-L367 WeakPolarHBondContact O-CB 3.42Å; L363-L367 WeakPolarHBondContact O-CD1 3.37Å; L363-L367 VanDerWaalsContact O-CG 3.23Å; L363-L367 WeakPolarHBondContact O-CG 3.38Å; L363-L367 PolarHBondContact O-N 3.26Å; R364-L367 PolarHBondContact O-N 3.23Å; L367-L370 WeakPolarHBondContact O-CB 3.44Å; L367-L370 PolarHBondContact O-N 3.35Å; L367-V371 WeakPolarHBondContact O-CG2 3.3Å; L367-V371 PolarHBondContact O-N 2.81Å; L367-V371 VanDerWaalsContact O-N 3.16Å
368A88.2Confident86.3Confident44 Ų44106 Ų10636%0.36457%0.573SS.*Hα-helixtrans-60.8-45.9175.900000112R364 L370 V371 E372R364-A368 WeakPolarHBondContact O-CB 3.44Å; R364-A368 PolarHBondContact O-N 2.9Å; A368-L370 VanDerWaalsContact C-N 3.28Å; A368-L370 PolarHBondContact O-N 3.15Å; A368-V371 PolarHBondContact O-N 3.26Å; A368-E372 PolarHBondContact O-N 3.32Å
369K87.1Confident85.7Confident150 Ų150103.8 Ų103.865%0.65257%0.57SS**Hα-helixtrans-60.7-33.8175.4-72.4167.7-176.1170.60113.4D365 T366 V371 G373D365-K369 VanDerWaalsContact O-CG 3.31Å; D365-K369 WeakPolarHBondContact O-CG 3.32Å; D365-K369 PolarHBondContact O-N 2.89Å; D365-K369 VanDerWaalsContact O-N 3.14Å; T366-K369 PolarHBondContact O-N 3.09Å; K369-V371 VanDerWaalsContact C-N 3.32Å; K369-G373 PolarHBondContact O-N 3.48Å
370L85.7Confident85Confident131 Ų131105 Ų10569%0.68658%0.581SS**Hα-helixtrans-68.9-30174.2-83.9161.1000112.7T366 L367 A368T366-L370 PolarHBondContact O-N 3.48Å; T366-L370 VanDerWaalsContact O-N 3.12Å; L367-L370 WeakPolarHBondContact O-CB 3.44Å; L367-L370 PolarHBondContact O-N 3.35Å; A368-L370 VanDerWaalsContact C-N 3.28Å; A368-L370 PolarHBondContact O-N 3.15Å
371V80.7Confident84.2Confident114 Ų114105.3 Ų105.369%0.69159%0.585SS**Hα-helixtrans-81.5-37.6177.4173.50000111.9L367 A368 K369 G373L367-V371 WeakPolarHBondContact O-CG2 3.3Å; L367-V371 PolarHBondContact O-N 2.81Å; L367-V371 VanDerWaalsContact O-N 3.16Å; A368-V371 PolarHBondContact O-N 3.26Å; K369-V371 VanDerWaalsContact C-N 3.32Å; V371-G373 VanDerWaalsContact C-N 3.28Å; V371-G373 PolarHBondContact O-N 3.49Å
372E75.9Confident83.5Confident166 Ų166109.8 Ų109.878%0.77661%0.607SS**Hα-helixtrans-75.4-14.9176.6-68.8-178.8165.700113.8A368A368-E372 PolarHBondContact O-N 3.32Å
373G60.3Low82.5Confident70 Ų70109.4 Ų109.472%0.72261%0.614SS**THydrogen-bonded Turntrans-93.38.1178.700000115.5K369 V371K369-G373 PolarHBondContact O-N 3.48Å; V371-G373 VanDerWaalsContact C-N 3.28Å; V371-G373 PolarHBondContact O-N 3.49Å
374S50.9Low81.5Confident160 Ų160110.5 Ų110.5100%1.11962%0.623SS**  trans-1230-179-174.90000112.9

Retrieved 374 of 374 residues in 203.2 ms (Link to these results)