A0A077ZPF6_TRITR Loading...

Pyr redox dim and Pyr redox 2 and Pyr redox and G yrI-like and DUF417 and HTH 18 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZPF6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 802 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
1M71.8Confident94.4Very high124 Ų12438.9 Ų38.961%0.61119%0.188SC*.  0118.50-170.9160.873.600108.5E117 H119M1-E117 WeakPolarHBondContact CG-O 3.5Å; M1-E117 HydrophobicContact SD-CB 4.49Å; M1-H119 HydrophobicContact CE-CB 3.57Å; M1-H119 HydrophobicContact CG-CB 3.97Å; M1-H119 HydrophobicContact SD-CB 4.07Å
2N85Confident94.6Very high72 Ų7236.9 Ų36.939%0.38519%0.186SC..EExtended strand (participates in β ladder)trans-68.9135.3177.4-70.6-14.5000109.1Y4 H119N2-Y4 HydrophobicContact CB-CD2 4.42Å; N2-Y4 HydrophobicContact CB-CE2 3.56Å; N2-H119 PolarHBondContact O-N 3.25Å
3K95.1Very high94.9Very high141 Ų14139.3 Ų39.361%0.61319%0.194SC*.EExtended strand (participates in β ladder)trans-107.3131.2-179.9-64.1-172.5176.4-172.70110.7R28 H119K3-R28 PolarHBondContact O-NH1 3.29Å; K3-H119 HydrophobicContact CG-CB 4.13Å
4Y98.4Very high95.1Very high6 Ų636.5 Ų36.52%0.02418%0.18CC..EExtended strand (participates in β ladder)trans-128.4144.1179.3-62.5-85.2000110N2 V7 R28 A30 D93 I118 H119 G120 E121N2-Y4 HydrophobicContact CB-CD2 4.42Å; N2-Y4 HydrophobicContact CB-CE2 3.56Å; Y4-V7 HydrophobicContact CD2-CG2 4.36Å; Y4-V7 HydrophobicContact CG-CG2 4.39Å; Y4-R28 HydrophobicContact CD1-CG 3.84Å; Y4-R28 HydrophobicContact CE1-CG 4.16Å; Y4-A30 HydrophobicContact CD1-CB 3.69Å; Y4-A30 HydrophobicContact CD2-CB 3.77Å; Y4-A30 HydrophobicContact CE1-CB 3.78Å; Y4-A30 HydrophobicContact CE2-CB 3.85Å; Y4-A30 HydrophobicContact CG-CB 3.69Å; Y4-D93 HydrophobicContact CE1-CB 3.97Å; Y4-D93 WeakPolarHBondContact CE1-OD2 3.26Å; Y4-D93 VanDerWaalsContact CZ-OD2 3.27Å; Y4-D93 PolarHBondContact OH-OD2 3.29Å; Y4-I118 HydrophobicContact CD2-CB 4.4Å; Y4-I118 HydrophobicContact CE2-CB 4.31Å; Y4-I118 HydrophobicContact CE2-CG2 4.15Å; Y4-H119 PolarHBondContact N-O 3.12Å; Y4-G120 WeakPolarHBondContact O-CA 3.33Å; Y4-E121 PolarHBondContact O-N 3.2Å
5Q98.3Very high95.3Very high71 Ų7134.1 Ų34.133%0.33217%0.168SC..EExtended strand (participates in β ladder)trans-74.4-33.4173.7-69.5169.5-72.200110.8W27 R28 K122Q5-W27 HydrophobicContact CB-CB 4.33Å; Q5-W27 HydrophobicContact CB-CD2 4.4Å; Q5-W27 HydrophobicContact CB-CE3 4.11Å; Q5-W27 VanDerWaalsContact OE1-CA 3.25Å; Q5-R28 PolarHBondContact N-O 3.35Å; Q5-K122 PolarHBondContact O-N 2.97Å; Q5-K122 VanDerWaalsContact O-N 3.07Å
6A98.6Very high95.5Very high0 Ų033.3 Ų33.30%016%0.163CC..EExtended strand (participates in β ladder)trans-131.8133.3172.400000111.2L22 W27 R28 V29 A30 K122 F124A6-L22 HydrophobicContact CB-CD1 3.6Å; A6-W27 HydrophobicContact CB-CE3 3.94Å; A6-W27 HydrophobicContact CB-CZ3 4.31Å; A6-R28 PolarHBondContact N-O 2.87Å; A6-V29 HydrophobicContact CB-CG1 4.4Å; A6-V29 HydrophobicContact CB-CG2 4.36Å; A6-V29 CarbonylContact O-C 3.54Å; A6-V29 VanDerWaalsContact O-CA 3.31Å; A6-V29 WeakPolarHBondContact O-CA 3.41Å; A6-A30 PolarHBondContact O-N 3.28Å; A6-K122 CarbonylContact C-O 3.51Å; A6-K122 WeakPolarHBondContact CA-O 3.11Å; A6-F124 HydrophobicContact CB-CD2 4.32Å; A6-F124 HydrophobicContact CB-CE2 3.83Å
7V98.7Very high95.6Very high0 Ų033 Ų330%016%0.164CC..EExtended strand (participates in β ladder)trans-117.9125.6168.6-178.30000108.7Y4 A30 I32 L107 I118 G120 K122 I123 F124Y4-V7 HydrophobicContact CD2-CG2 4.36Å; Y4-V7 HydrophobicContact CG-CG2 4.39Å; V7-A30 CarbonylContact C-O 3.53Å; V7-A30 WeakPolarHBondContact CA-O 3.46Å; V7-A30 HydrophobicContact CG1-CB 4.36Å; V7-A30 HydrophobicContact CG2-CB 4.29Å; V7-I32 HydrophobicContact CG1-CD1 3.67Å; V7-I32 HydrophobicContact CG1-CG1 4.27Å; V7-L107 HydrophobicContact CB-CD1 4.26Å; V7-L107 HydrophobicContact CG1-CD1 3.49Å; V7-L107 VanDerWaalsContact CG1-CD1 3.49Å; V7-I118 HydrophobicContact CG1-CD1 3.75Å; V7-I118 HydrophobicContact CG2-CD1 4.38Å; V7-G120 VanDerWaalsContact CG2-CA 3.48Å; V7-K122 PolarHBondContact N-O 3.29Å; V7-I123 HydrophobicContact CB-CG1 4.39Å; V7-I123 CarbonylContact O-C 3.55Å; V7-I123 VanDerWaalsContact O-CA 3.29Å; V7-I123 WeakPolarHBondContact O-CA 3.43Å; V7-F124 PolarHBondContact O-N 3.47Å
8I98.8Very high95.8Very high0 Ų031.2 Ų31.20%016%0.155CC..EExtended strand (participates in β ladder)trans-115.5126.2-178.2-58.8169.9000107.7G15 L18 A19 V29 A30 L31 I32 F124I8-G15 VanDerWaalsContact CG2-CA 3.46Å; I8-L18 HydrophobicContact CD1-CB 4.16Å; I8-L18 HydrophobicContact CD1-CD2 4.32Å; I8-L18 HydrophobicContact CD1-CG 4.19Å; I8-A19 VanDerWaalsContact CD1-CA 3.46Å; I8-A19 HydrophobicContact CD1-CB 3.6Å; I8-V29 HydrophobicContact CD1-CG1 3.83Å; I8-V29 HydrophobicContact CG1-CG1 4.34Å; I8-A30 PolarHBondContact N-O 3.44Å; I8-L31 HydrophobicContact CB-CD1 3.73Å; I8-L31 HydrophobicContact CG2-CD1 3.49Å; I8-L31 VanDerWaalsContact CG2-CD1 3.49Å; I8-L31 WeakPolarHBondContact O-CA 3.32Å; I8-I32 PolarHBondContact O-N 3.17Å; I8-F124 CarbonylContact C-O 3.45Å; I8-F124 WeakPolarHBondContact CA-O 3.3Å; I8-F124 HydrophobicContact CB-CB 4.5Å; I8-F124 HydrophobicContact CG1-CB 4.04Å; I8-F124 HydrophobicContact CG1-CD2 3.92Å; I8-F124 HydrophobicContact CG1-CG 4.33Å; I8-F124 HydrophobicContact CG2-CB 4.46Å
9I98.6Very high95.9Very high7 Ų729.5 Ų29.54%0.03615%0.147CC..EExtended strand (participates in β ladder)trans-105.6110.4-179.2-45.2178.9000108.9I32 A99 F101 L107 I123 F124 I125 N126 T127 L259I9-I32 HydrophobicContact CG1-CD1 4.32Å; I9-A99 HydrophobicContact CD1-CB 4.29Å; I9-A99 HydrophobicContact CG2-CB 3.8Å; I9-F101 HydrophobicContact CD1-CE2 4.29Å; I9-F101 HydrophobicContact CD1-CZ 3.93Å; I9-L107 HydrophobicContact CD1-CD1 3.87Å; I9-L107 HydrophobicContact CD1-CD2 3.71Å; I9-L107 HydrophobicContact CD1-CG 4.48Å; I9-L107 HydrophobicContact CG1-CD1 4.21Å; I9-I123 HydrophobicContact CD1-CG2 4.04Å; I9-I123 HydrophobicContact CG1-CG2 4.32Å; I9-F124 PolarHBondContact N-O 3.04Å; I9-I125 HydrophobicContact CD1-CG1 4.48Å; I9-N126 CarbonylContact O-C 3.6Å; I9-N126 VanDerWaalsContact O-C 3.22Å; I9-N126 WeakPolarHBondContact O-CA 3.39Å; I9-N126 PolarHBondContact O-N 3.22Å; I9-T127 HydrophobicContact CB-CG2 4.36Å; I9-T127 HydrophobicContact CG2-CG2 3.72Å; I9-T127 PolarHBondContact O-N 3.49Å; I9-L259 HydrophobicContact CD1-CD2 4.41Å; I9-L259 HydrophobicContact CG2-CD2 4.04Å
10G98.2Very high96.1Very high7 Ų729.7 Ų29.77%0.07215%0.15CC..SBendtrans103.8132.5179.400000113.6G12 I32G10-G12 PolarHBondContact O-N 2.96Å; G10-G12 VanDerWaalsContact O-N 3.13Å; G10-I32 WeakPolarHBondContact CA-O 3.24Å; G10-I32 PolarHBondContact N-O 3.27Å
11F97.3Very high96.2Very high0 Ų029.7 Ų29.70%015%0.151CC..  trans-83.927.3-179.5-140.1-65.8000112.9K16 L31 E33 Y39 G40 G41 N82 L86 V94F11-K16 HydrophobicContact CD1-CB 3.7Å; F11-K16 HydrophobicContact CD1-CD 3.91Å; F11-K16 HydrophobicContact CD1-CG 4.46Å; F11-K16 HydrophobicContact CE1-CB 3.75Å; F11-K16 HydrophobicContact CE1-CD 4.01Å; F11-L31 HydrophobicContact CD1-CD2 4.3Å; F11-L31 HydrophobicContact CD2-CD2 3.54Å; F11-L31 HydrophobicContact CD2-CG 4.15Å; F11-L31 HydrophobicContact CE1-CD2 4.3Å; F11-L31 HydrophobicContact CE2-CD2 3.52Å; F11-L31 HydrophobicContact CE2-CG 4.43Å; F11-L31 HydrophobicContact CG-CD2 3.97Å; F11-L31 HydrophobicContact CZ-CD2 3.93Å; F11-E33 HydrophobicContact CB-CB 4.17Å; F11-E33 HydrophobicContact CB-CG 4.02Å; F11-E33 WeakPolarHBondContact CB-OE2 3.44Å; F11-E33 HydrophobicContact CD2-CB 4.05Å; F11-E33 HydrophobicContact CD2-CG 4.37Å; F11-E33 PolarHBondContact N-OE2 3.38Å; F11-Y39 AromaticContact CD2-CD1 3.72Å; F11-Y39 HydrophobicContact CD2-CD1 3.72Å; F11-Y39 HydrophobicContact CD2-CE1 4.48Å; F11-Y39 AromaticContact CE2-CD1 3.76Å; F11-Y39 HydrophobicContact CE2-CD1 3.76Å; F11-Y39 HydrophobicContact CE2-CE1 4.44Å; F11-Y39 HydrophobicContact CE2-CG 4.36Å; F11-G40 CarbonylContact O-C 3.59Å; F11-G41 WeakPolarHBondContact O-CA 3.27Å; F11-G41 PolarHBondContact O-N 3.42Å; F11-G41 VanDerWaalsContact O-N 3.09Å; F11-N82 HydrophobicContact CE1-CB 4.26Å; F11-N82 WeakPolarHBondContact CZ-O 3.38Å; F11-L86 HydrophobicContact CE1-CD1 4.03Å; F11-L86 HydrophobicContact CE1-CD2 4.28Å; F11-L86 HydrophobicContact CZ-CB 4.24Å; F11-L86 HydrophobicContact CZ-CD1 3.98Å; F11-L86 HydrophobicContact CZ-CD2 4Å; F11-L86 HydrophobicContact CZ-CG 4.3Å; F11-V94 HydrophobicContact CE2-CG1 4.14Å
12G96.8Very high97.4Very high15 Ų1523.8 Ų23.816%0.15512%0.122CC..SBendtrans-66.1179.7178.200000113.1G10 A14 G15 K16 N126G10-G12 PolarHBondContact O-N 2.96Å; G10-G12 VanDerWaalsContact O-N 3.13Å; G12-A14 PolarHBondContact O-N 3.4Å; G12-G15 PolarHBondContact O-N 3.44Å; G12-K16 WeakPolarHBondContact O-CG 3.24Å; G12-K16 PolarHBondContact O-N 3.45Å; G12-K16 VanDerWaalsContact O-N 3.08Å; G12-N126 WeakPolarHBondContact CA-OD1 3.2Å; G12-N126 PolarHBondContact N-OD1 3Å
13K97.8Very high98Very high68 Ų6820.6 Ų20.630%0.29611%0.106SC..Hα-helixtrans-63-45.1-174.3-178.262.4179.1173.90112T17 T300 L304K13-T17 WeakPolarHBondContact O-CB 3.41Å; K13-T17 PolarHBondContact O-N 3.43Å; K13-T17 PolarHBondContact O-OG1 3.18Å; K13-T300 HydrophobicContact CB-CG2 3.97Å; K13-T300 HydrophobicContact CD-CG2 4.19Å; K13-T300 HydrophobicContact CG-CG2 3.8Å; K13-L304 HydrophobicContact CG-CB 3.93Å
14A98.2Very high98.1Very high0 Ų021.9 Ų21.90%011%0.111CC..Hα-helixtrans-62.2-53.5175.300000110.9G12 K16 T17 L18 M290 S303G12-A14 PolarHBondContact O-N 3.4Å; A14-K16 PolarHBondContact O-N 2.96Å; A14-T17 PolarHBondContact O-N 3.11Å; A14-L18 WeakPolarHBondContact O-CB 3.49Å; A14-L18 PolarHBondContact O-N 3.32Å; A14-M290 HydrophobicContact CB-CB 3.7Å; A14-M290 HydrophobicContact CB-CE 4.07Å; A14-M290 HydrophobicContact CB-CG 4.38Å; A14-M290 HydrophobicContact CB-SD 3.83Å; A14-S303 WeakPolarHBondContact CB-O 3.3Å; A14-S303 WeakPolarHBondContact CB-OG 3.5Å; A14-S303 PolarHBondContact N-OG 3.42Å
15G98.2Very high98.1Very high0 Ų023.9 Ų23.90%013%0.129CC..Hα-helixtrans-58.4-53.5-171.600000112.6I8 G12 T17 L18 A19 N126I8-G15 VanDerWaalsContact CG2-CA 3.46Å; G12-G15 PolarHBondContact O-N 3.44Å; G15-T17 VanDerWaalsContact C-N 3.3Å; G15-T17 PolarHBondContact O-N 3.06Å; G15-L18 PolarHBondContact O-N 3.3Å; G15-A19 WeakPolarHBondContact O-CB 3.48Å; G15-A19 PolarHBondContact O-N 2.82Å; G15-N126 PolarHBondContact N-OD1 2.95Å
16K97.7Very high98Very high21 Ų2122.9 Ų22.99%0.09114%0.138CC..Hα-helixtrans-65.5-32.7-18078.4-169.7-179.7-175.40113.2F11 G12 A14 V20 G40 N82 L86F11-K16 HydrophobicContact CD1-CB 3.7Å; F11-K16 HydrophobicContact CD1-CD 3.91Å; F11-K16 HydrophobicContact CD1-CG 4.46Å; F11-K16 HydrophobicContact CE1-CB 3.75Å; F11-K16 HydrophobicContact CE1-CD 4.01Å; G12-K16 WeakPolarHBondContact O-CG 3.24Å; G12-K16 PolarHBondContact O-N 3.45Å; G12-K16 VanDerWaalsContact O-N 3.08Å; A14-K16 PolarHBondContact O-N 2.96Å; K16-V20 WeakPolarHBondContact O-CG2 3.38Å; K16-V20 PolarHBondContact O-N 2.94Å; K16-G40 PolarHBondContact NZ-O 2.9Å; K16-N82 WeakPolarHBondContact CE-OD1 3.35Å; K16-N82 PolarHBondContact NZ-OD1 3.21Å; K16-L86 HydrophobicContact CB-CD1 4.3Å; K16-L86 HydrophobicContact CB-CD2 3.99Å
17T98.3Very high98Very high29 Ų2925.1 Ų25.118%0.17815%0.146CC..Hα-helixtrans-74.8-38.8180-49.10000110.7K13 A14 G15 T21 L304 Y307K13-T17 WeakPolarHBondContact O-CB 3.41Å; K13-T17 PolarHBondContact O-N 3.43Å; K13-T17 PolarHBondContact O-OG1 3.18Å; A14-T17 PolarHBondContact O-N 3.11Å; G15-T17 VanDerWaalsContact C-N 3.3Å; G15-T17 PolarHBondContact O-N 3.06Å; T17-T21 PolarHBondContact O-N 3.36Å; T17-T21 PolarHBondContact O-OG1 3.49Å; T17-L304 HydrophobicContact CG2-CD1 4.3Å; T17-Y307 HydrophobicContact CG2-CD1 3.86Å; T17-Y307 HydrophobicContact CG2-CD2 4.18Å; T17-Y307 HydrophobicContact CG2-CE1 3.56Å; T17-Y307 HydrophobicContact CG2-CE2 3.93Å; T17-Y307 HydrophobicContact CG2-CG 4.13Å
18L98.6Very high98Very high0 Ų030.3 Ų30.30%017%0.166CC..Hα-helixtrans-64.3-44173.7-173.861.9000111.1I8 A14 G15 V20 T21 L22 F124 M290 Y307 V310 L314I8-L18 HydrophobicContact CD1-CB 4.16Å; I8-L18 HydrophobicContact CD1-CD2 4.32Å; I8-L18 HydrophobicContact CD1-CG 4.19Å; A14-L18 WeakPolarHBondContact O-CB 3.49Å; A14-L18 PolarHBondContact O-N 3.32Å; G15-L18 PolarHBondContact O-N 3.3Å; L18-V20 PolarHBondContact O-N 3.13Å; L18-T21 PolarHBondContact O-N 3.22Å; L18-L22 HydrophobicContact CD1-CD1 3.97Å; L18-L22 HydrophobicContact CD1-CD2 4.26Å; L18-L22 HydrophobicContact CD1-CG 3.88Å; L18-L22 HydrophobicContact CD2-CD1 4.26Å; L18-L22 HydrophobicContact CG-CD1 3.75Å; L18-L22 HydrophobicContact CG-CG 4.07Å; L18-L22 WeakPolarHBondContact O-CG 3.36Å; L18-L22 PolarHBondContact O-N 2.89Å; L18-F124 HydrophobicContact CD2-CB 4.14Å; L18-F124 HydrophobicContact CD2-CD1 3.45Å; L18-F124 VanDerWaalsContact CD2-CD1 3.45Å; L18-F124 HydrophobicContact CD2-CD2 3.96Å; L18-F124 HydrophobicContact CD2-CE1 3.82Å; L18-F124 HydrophobicContact CD2-CE2 4.25Å; L18-F124 HydrophobicContact CD2-CG 3.55Å; L18-F124 HydrophobicContact CD2-CZ 4.2Å; L18-M290 HydrophobicContact CD2-CE 3.81Å; L18-M290 HydrophobicContact CD2-SD 4.35Å; L18-Y307 HydrophobicContact CB-CD2 3.87Å; L18-Y307 HydrophobicContact CB-CE2 4.41Å; L18-Y307 HydrophobicContact CD1-CD2 4.04Å; L18-Y307 HydrophobicContact CD1-CE2 4.25Å; L18-V310 HydrophobicContact CD1-CG1 4.28Å; L18-V310 HydrophobicContact CD2-CG1 4.05Å; L18-L314 HydrophobicContact CD1-CD1 4.48Å
19A98.5Very high98Very high0 Ų030.3 Ų30.30%017%0.166CC..Hα-helixtrans-54.2-50.6178.700000111.9I8 G15 T21 A23 V29 L31 L86 I92I8-A19 VanDerWaalsContact CD1-CA 3.46Å; I8-A19 HydrophobicContact CD1-CB 3.6Å; G15-A19 WeakPolarHBondContact O-CB 3.48Å; G15-A19 PolarHBondContact O-N 2.82Å; A19-T21 VanDerWaalsContact C-N 3.28Å; A19-T21 PolarHBondContact O-N 3.26Å; A19-A23 WeakPolarHBondContact O-CB 3.46Å; A19-A23 PolarHBondContact O-N 2.89Å; A19-V29 HydrophobicContact CB-CG1 4.13Å; A19-L31 HydrophobicContact CB-CD2 4.48Å; A19-L86 HydrophobicContact CB-CD2 3.83Å; A19-I92 HydrophobicContact CB-CD1 4.18Å
20V98.1Very high98Very high33 Ų3330 Ų3020%0.216%0.164CC..Hα-helixtrans-58.6-41.9176.9176.80000111.4K16 L18 K24 L86 M89K16-V20 WeakPolarHBondContact O-CG2 3.38Å; K16-V20 PolarHBondContact O-N 2.94Å; L18-V20 PolarHBondContact O-N 3.13Å; V20-K24 HydrophobicContact CG1-CD 4.25Å; V20-K24 WeakPolarHBondContact O-CB 3.34Å; V20-K24 VanDerWaalsContact O-CG 3.3Å; V20-K24 WeakPolarHBondContact O-CG 3.13Å; V20-K24 PolarHBondContact O-N 2.93Å; V20-K24 VanDerWaalsContact O-N 3.08Å; V20-L86 HydrophobicContact CG2-CD1 4.12Å; V20-L86 HydrophobicContact CG2-CD2 4.48Å; V20-L86 HydrophobicContact CG2-CG 4.05Å; V20-M89 HydrophobicContact CB-CE 3.91Å; V20-M89 HydrophobicContact CG1-CE 3.82Å; V20-M89 HydrophobicContact CG1-SD 4.28Å; V20-M89 HydrophobicContact CG2-CE 3.48Å; V20-M89 VanDerWaalsContact CG2-CE 3.48Å
21T98.3Very high98Very high29 Ų2929.7 Ų29.718%0.17816%0.161CC..Hα-helixtrans-70.8-45.5-175-57.30000111.8T17 L18 A19 K24 A25 Y307 R311 L315T17-T21 PolarHBondContact O-N 3.36Å; T17-T21 PolarHBondContact O-OG1 3.49Å; L18-T21 PolarHBondContact O-N 3.22Å; A19-T21 VanDerWaalsContact C-N 3.28Å; A19-T21 PolarHBondContact O-N 3.26Å; T21-K24 PolarHBondContact O-N 3.34Å; T21-A25 PolarHBondContact O-N 2.85Å; T21-Y307 HydrophobicContact CG2-CE2 4.36Å; T21-Y307 WeakPolarHBondContact OG1-CE2 3.37Å; T21-Y307 PolarHBondContact OG1-OH 3.36Å; T21-R311 HydrophobicContact CG2-CG 4.02Å; T21-L315 HydrophobicContact CG2-CD1 3.87Å
22L98.4Very high98Very high0 Ų029.8 Ų29.80%016%0.161CC..Hα-helixtrans-67-40.7177.2-64.2179.6000111.4A6 L18 K24 A25 G26 W27 V29 F124 L314 L315A6-L22 HydrophobicContact CB-CD1 3.6Å; L18-L22 HydrophobicContact CD1-CD1 3.97Å; L18-L22 HydrophobicContact CD1-CD2 4.26Å; L18-L22 HydrophobicContact CD1-CG 3.88Å; L18-L22 HydrophobicContact CD2-CD1 4.26Å; L18-L22 HydrophobicContact CG-CD1 3.75Å; L18-L22 HydrophobicContact CG-CG 4.07Å; L18-L22 WeakPolarHBondContact O-CG 3.36Å; L18-L22 PolarHBondContact O-N 2.89Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.47Å; L22-A25 CarbonylContact O-C 3.51Å; L22-A25 WeakPolarHBondContact O-CA 3.32Å; L22-A25 WeakPolarHBondContact O-CB 3.47Å; L22-A25 PolarHBondContact O-N 3.42Å; L22-G26 PolarHBondContact O-N 3.31Å; L22-W27 HydrophobicContact CB-CB 4.16Å; L22-W27 HydrophobicContact CB-CD2 4.4Å; L22-W27 HydrophobicContact CB-CE3 4.32Å; L22-W27 HydrophobicContact CB-CG 4.36Å; L22-W27 HydrophobicContact CD1-CE3 4.02Å; L22-W27 HydrophobicContact CD1-CZ3 4.2Å; L22-W27 HydrophobicContact CD2-CD2 4.1Å; L22-W27 HydrophobicContact CD2-CE3 3.91Å; L22-W27 HydrophobicContact CD2-CH2 4.29Å; L22-W27 HydrophobicContact CD2-CZ2 4.47Å; L22-W27 HydrophobicContact CD2-CZ3 4.01Å; L22-W27 HydrophobicContact CG-CE3 4.31Å; L22-W27 WeakPolarHBondContact O-CB 3.35Å; L22-W27 PolarHBondContact O-N 2.97Å; L22-V29 HydrophobicContact CB-CG2 3.82Å; L22-F124 HydrophobicContact CD1-CE2 4.09Å; L22-F124 HydrophobicContact CD1-CZ 4.46Å; L22-L314 HydrophobicContact CD2-CD1 4.1Å; L22-L315 HydrophobicContact CD2-CD1 4.27Å
23A97.9Very high98.1Very high6 Ų629.8 Ų29.85%0.0516%0.157CC..Hα-helixtrans-60.2-40.8175.600000112.6A19 A25 G26 V29 N91 I92A19-A23 WeakPolarHBondContact O-CB 3.46Å; A19-A23 PolarHBondContact O-N 2.89Å; A23-A25 VanDerWaalsContact C-N 3.31Å; A23-G26 PolarHBondContact O-N 3.46Å; A23-V29 HydrophobicContact CB-CG2 4.33Å; A23-N91 HydrophobicContact CB-CB 3.92Å; A23-N91 PolarHBondContact O-ND2 3.08Å; A23-N91 VanDerWaalsContact O-ND2 3.11Å; A23-I92 HydrophobicContact CB-CD1 3.66Å; A23-I92 HydrophobicContact CB-CG1 3.39Å
24K97.3Very high98Very high167 Ų16732.5 Ų32.573%0.72617%0.171SC*.Hα-helixtrans-67.5-29.7173.2-76.5179.8177.5-1750113.1V20 T21 L22 G26V20-K24 HydrophobicContact CG1-CD 4.25Å; V20-K24 WeakPolarHBondContact O-CB 3.34Å; V20-K24 VanDerWaalsContact O-CG 3.3Å; V20-K24 WeakPolarHBondContact O-CG 3.13Å; V20-K24 PolarHBondContact O-N 2.93Å; V20-K24 VanDerWaalsContact O-N 3.08Å; T21-K24 PolarHBondContact O-N 3.34Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.47Å; K24-G26 PolarHBondContact O-N 2.9Å
25A97Very high97.9Very high48 Ų4834.6 Ų34.640%0.39719%0.186SC..THydrogen-bonded Turntrans-76.56.1170.200000113.1T21 L22 A23 L315T21-A25 PolarHBondContact O-N 2.85Å; L22-A25 CarbonylContact O-C 3.51Å; L22-A25 WeakPolarHBondContact O-CA 3.32Å; L22-A25 WeakPolarHBondContact O-CB 3.47Å; L22-A25 PolarHBondContact O-N 3.42Å; A23-A25 VanDerWaalsContact C-N 3.31Å; A25-L315 HydrophobicContact CB-CD1 4.05Å; A25-L315 HydrophobicContact CB-CD2 3.97Å
26G97Very high97.7Very high50 Ų5039.1 Ų39.152%0.51521%0.21SC..THydrogen-bonded Turntrans86.97.6176.100000114.7L22 A23 K24L22-G26 PolarHBondContact O-N 3.31Å; A23-G26 PolarHBondContact O-N 3.46Å; K24-G26 PolarHBondContact O-N 2.9Å
27W98.3Very high97.6Very high47 Ų4739.9 Ų39.918%0.17822%0.22CC..  trans-80.1142.5-178.9-66.526.3000111.1Q5 A6 L22 V29 N91 K122 L314Q5-W27 HydrophobicContact CB-CB 4.33Å; Q5-W27 HydrophobicContact CB-CD2 4.4Å; Q5-W27 HydrophobicContact CB-CE3 4.11Å; Q5-W27 VanDerWaalsContact OE1-CA 3.25Å; A6-W27 HydrophobicContact CB-CE3 3.94Å; A6-W27 HydrophobicContact CB-CZ3 4.31Å; L22-W27 HydrophobicContact CB-CB 4.16Å; L22-W27 HydrophobicContact CB-CD2 4.4Å; L22-W27 HydrophobicContact CB-CE3 4.32Å; L22-W27 HydrophobicContact CB-CG 4.36Å; L22-W27 HydrophobicContact CD1-CE3 4.02Å; L22-W27 HydrophobicContact CD1-CZ3 4.2Å; L22-W27 HydrophobicContact CD2-CD2 4.1Å; L22-W27 HydrophobicContact CD2-CE3 3.91Å; L22-W27 HydrophobicContact CD2-CH2 4.29Å; L22-W27 HydrophobicContact CD2-CZ2 4.47Å; L22-W27 HydrophobicContact CD2-CZ3 4.01Å; L22-W27 HydrophobicContact CG-CE3 4.31Å; L22-W27 WeakPolarHBondContact O-CB 3.35Å; L22-W27 PolarHBondContact O-N 2.97Å; W27-V29 HydrophobicContact CB-CG2 4.28Å; W27-V29 PolarHBondContact O-N 3.48Å; W27-N91 WeakPolarHBondContact O-CB 3.23Å; W27-K122 HydrophobicContact CH2-CD 3.94Å; W27-K122 HydrophobicContact CZ3-CD 3.95Å; W27-L314 HydrophobicContact CH2-CD2 4.36Å
28R98.2Very high97.6Very high110 Ų11040.2 Ų40.242%0.41522%0.22SC..  trans-79.2115.5167.3-164.2-172.3175.4-178.30.6109.9K3 Y4 Q5 A6 D93K3-R28 PolarHBondContact O-NH1 3.29Å; Y4-R28 HydrophobicContact CD1-CG 3.84Å; Y4-R28 HydrophobicContact CE1-CG 4.16Å; Q5-R28 PolarHBondContact N-O 3.35Å; A6-R28 PolarHBondContact N-O 2.87Å; R28-D93 IonicContact NE-OD2 2.88Å; R28-D93 IonicContact NH2-OD2 3.92Å; R28-D93 PolarHBondContact NH2-OD2 2.86Å
29V98.7Very high97.6Very high0 Ų041.1 Ų41.10%022%0.224CC..EExtended strand (participates in β ladder)trans-114.2134.2-173.3-173.30000110.8A6 I8 A19 L22 A23 W27 N91 I92 D93A6-V29 HydrophobicContact CB-CG1 4.4Å; A6-V29 HydrophobicContact CB-CG2 4.36Å; A6-V29 CarbonylContact O-C 3.54Å; A6-V29 VanDerWaalsContact O-CA 3.31Å; A6-V29 WeakPolarHBondContact O-CA 3.41Å; I8-V29 HydrophobicContact CD1-CG1 3.83Å; I8-V29 HydrophobicContact CG1-CG1 4.34Å; A19-V29 HydrophobicContact CB-CG1 4.13Å; L22-V29 HydrophobicContact CB-CG2 3.82Å; A23-V29 HydrophobicContact CB-CG2 4.33Å; W27-V29 HydrophobicContact CB-CG2 4.28Å; W27-V29 PolarHBondContact O-N 3.48Å; V29-N91 PolarHBondContact N-O 3.36Å; V29-I92 HydrophobicContact CB-CG1 4.38Å; V29-I92 WeakPolarHBondContact O-CA 3.28Å; V29-D93 PolarHBondContact O-N 3.02Å
30A98.5Very high97.5Very high0 Ų041.2 Ų41.20%023%0.225CC..EExtended strand (participates in β ladder)trans-103.3129.7161.300000109.4Y4 A6 V7 I8 D93 I95Y4-A30 HydrophobicContact CD1-CB 3.69Å; Y4-A30 HydrophobicContact CD2-CB 3.77Å; Y4-A30 HydrophobicContact CE1-CB 3.78Å; Y4-A30 HydrophobicContact CE2-CB 3.85Å; Y4-A30 HydrophobicContact CG-CB 3.69Å; A6-A30 PolarHBondContact O-N 3.28Å; V7-A30 CarbonylContact C-O 3.53Å; V7-A30 WeakPolarHBondContact CA-O 3.46Å; V7-A30 HydrophobicContact CG1-CB 4.36Å; V7-A30 HydrophobicContact CG2-CB 4.29Å; I8-A30 PolarHBondContact N-O 3.44Å; A30-D93 WeakPolarHBondContact CA-O 3.4Å; A30-I95 HydrophobicContact CB-CD1 4.04Å
31L98.5Very high97.4Very high0 Ų039.9 Ų39.90%022%0.218CC..EExtended strand (participates in β ladder)trans-113.6115.9170.5177.464.2000109.1I8 F11 A19 L86 I92 D93 V94 I95I8-L31 HydrophobicContact CB-CD1 3.73Å; I8-L31 HydrophobicContact CG2-CD1 3.49Å; I8-L31 VanDerWaalsContact CG2-CD1 3.49Å; I8-L31 WeakPolarHBondContact O-CA 3.32Å; F11-L31 HydrophobicContact CD1-CD2 4.3Å; F11-L31 HydrophobicContact CD2-CD2 3.54Å; F11-L31 HydrophobicContact CD2-CG 4.15Å; F11-L31 HydrophobicContact CE1-CD2 4.3Å; F11-L31 HydrophobicContact CE2-CD2 3.52Å; F11-L31 HydrophobicContact CE2-CG 4.43Å; F11-L31 HydrophobicContact CG-CD2 3.97Å; F11-L31 HydrophobicContact CZ-CD2 3.93Å; A19-L31 HydrophobicContact CB-CD2 4.48Å; L31-L86 HydrophobicContact CD2-CD2 3.24Å; L31-I92 HydrophobicContact CB-CG2 4.46Å; L31-D93 PolarHBondContact N-O 3.31Å; L31-V94 WeakPolarHBondContact O-CA 3.44Å; L31-I95 PolarHBondContact O-N 3.25Å
32I98.3Very high97.3Very high2 Ų240.8 Ų40.81%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-100.7130.4-176.6-48.6166.5000109.3V7 I8 I9 G10 I95 G97 A99 L107 V109 I118V7-I32 HydrophobicContact CG1-CD1 3.67Å; V7-I32 HydrophobicContact CG1-CG1 4.27Å; I8-I32 PolarHBondContact O-N 3.17Å; I9-I32 HydrophobicContact CG1-CD1 4.32Å; G10-I32 WeakPolarHBondContact CA-O 3.24Å; G10-I32 PolarHBondContact N-O 3.27Å; I32-I95 WeakPolarHBondContact CA-O 3.29Å; I32-G97 VanDerWaalsContact CG2-O 3.28Å; I32-G97 WeakPolarHBondContact CG2-O 3.44Å; I32-A99 HydrophobicContact CD1-CB 4.07Å; I32-A99 HydrophobicContact CG2-CB 4.2Å; I32-L107 HydrophobicContact CD1-CD1 4.09Å; I32-V109 HydrophobicContact CD1-CG2 3.83Å; I32-V109 HydrophobicContact CG1-CG2 4.4Å; I32-V109 HydrophobicContact CG2-CG1 3.84Å; I32-V109 HydrophobicContact CG2-CG2 4.28Å; I32-I118 HydrophobicContact CD1-CD1 3.37Å; I32-I118 HydrophobicContact CG1-CD1 4.09Å
33E97.7Very high97.2Very high15 Ų1542.1 Ų42.17%0.0723%0.233CC..EExtended strand (participates in β ladder)trans-133.7131.4174.7175.649.7-116.200109.8F11 S35 M38 Y39 I95 D96 G97F11-E33 HydrophobicContact CB-CB 4.17Å; F11-E33 HydrophobicContact CB-CG 4.02Å; F11-E33 WeakPolarHBondContact CB-OE2 3.44Å; F11-E33 HydrophobicContact CD2-CB 4.05Å; F11-E33 HydrophobicContact CD2-CG 4.37Å; F11-E33 PolarHBondContact N-OE2 3.38Å; E33-S35 VanDerWaalsContact C-N 3.26Å; E33-S35 VanDerWaalsContact CG-O 3.31Å; E33-S35 WeakPolarHBondContact CG-O 3.33Å; E33-S35 PolarHBondContact O-N 2.93Å; E33-S35 PolarHBondContact OE1-N 3.36Å; E33-M38 HydrophobicContact CG-CB 4.34Å; E33-M38 WeakPolarHBondContact OE1-CB 3.29Å; E33-Y39 HydrophobicContact CB-CD1 4.43Å; E33-Y39 HydrophobicContact CB-CE1 4.37Å; E33-Y39 HydrophobicContact CG-CD1 4.05Å; E33-Y39 HydrophobicContact CG-CE1 4.27Å; E33-I95 PolarHBondContact N-O 2.97Å; E33-D96 CarbonylContact O-C 3.59Å; E33-D96 VanDerWaalsContact O-CA 3.3Å; E33-D96 WeakPolarHBondContact O-CA 3.36Å; E33-G97 CarbonylContact C-O 3.56Å; E33-G97 PolarHBondContact O-N 3.48Å
34Q96Very high97.2Very high125 Ų12542.6 Ų42.658%0.58423%0.234SC*.SBendtrans-69.3-24.1-174.363.8176.116.200113.4G97 Q98Q34-G97 WeakPolarHBondContact CA-O 3.28Å; Q34-Q98 HydrophobicContact CB-CB 4.47Å
35S95.4Very high97.2Very high44 Ų4435 Ų3531%0.30820%0.202SC..  trans-146.3132.5-179.5-179.10000112.3E33 A37 M38E33-S35 VanDerWaalsContact C-N 3.26Å; E33-S35 VanDerWaalsContact CG-O 3.31Å; E33-S35 WeakPolarHBondContact CG-O 3.33Å; E33-S35 PolarHBondContact O-N 2.93Å; E33-S35 PolarHBondContact OE1-N 3.36Å; S35-A37 PolarHBondContact O-N 3.26Å; S35-A37 VanDerWaalsContact O-N 3.08Å; S35-A37 PolarHBondContact OG-N 3.42Å; S35-M38 WeakPolarHBondContact O-CB 3.28Å; S35-M38 PolarHBondContact O-N 3.03Å
36N95.7Very high97.2Very high96 Ų9634.3 Ų34.351%0.51319%0.191SC..G310 helixtrans-59.4-20.3172.266.110.5000113.7M38 Y39 R79N36-M38 PolarHBondContact O-N 3.35Å; N36-Y39 VanDerWaalsContact CA-CZ 3.5Å; N36-Y39 HydrophobicContact CB-CD2 4.38Å; N36-Y39 HydrophobicContact CB-CE1 4.28Å; N36-Y39 HydrophobicContact CB-CE2 3.59Å; N36-Y39 WeakPolarHBondContact CB-OH 3.39Å; N36-Y39 WeakPolarHBondContact O-CD2 3.35Å; N36-R79 WeakPolarHBondContact O-CD 3.47Å
37A95.8Very high97Very high37 Ų3732.6 Ų32.631%0.30617%0.173SC..G310 helixtrans-71.2-9.4173.300000113.2S35 N45 R79S35-A37 PolarHBondContact O-N 3.26Å; S35-A37 VanDerWaalsContact O-N 3.08Å; S35-A37 PolarHBondContact OG-N 3.42Å; A37-N45 PolarHBondContact O-OD1 3.3Å; A37-R79 VanDerWaalsContact O-CZ 3.3Å; A37-R79 PolarHBondContact O-NE 2.93Å; A37-R79 PolarHBondContact O-NH2 2.68Å
38M97.3Very high96.8Very high35 Ų3532.2 Ų32.217%0.17218%0.177CC..G310 helixtrans-112.18.2-175.1-70.3-60.3-67.300114.1E33 S35 N36 G40 G41 N45 I46E33-M38 HydrophobicContact CG-CB 4.34Å; E33-M38 WeakPolarHBondContact OE1-CB 3.29Å; S35-M38 WeakPolarHBondContact O-CB 3.28Å; S35-M38 PolarHBondContact O-N 3.03Å; N36-M38 PolarHBondContact O-N 3.35Å; M38-G40 PolarHBondContact O-N 2.66Å; M38-G40 VanDerWaalsContact O-N 3.11Å; M38-G41 WeakPolarHBondContact O-CA 3.44Å; M38-G41 PolarHBondContact O-N 2.98Å; M38-N45 WeakPolarHBondContact CA-ND2 3.36Å; M38-N45 PolarHBondContact O-ND2 2.91Å; M38-N45 HydrophobicContact SD-CB 3.88Å; M38-I46 HydrophobicContact CE-CD1 3.78Å; M38-I46 HydrophobicContact CE-CG1 4.02Å; M38-I46 HydrophobicContact SD-CD1 4.13Å; M38-I46 HydrophobicContact SD-CG1 4.26Å; M38-I46 HydrophobicContact SD-CG2 4.2Å
39Y97.9Very high96.7Very high19 Ų1929 Ų298%0.07517%0.168CC..THydrogen-bonded Turntrans-55122.1172.9-58.8-36.5000111.7F11 E33 N36 N45 R79 F83 V94 D96F11-Y39 AromaticContact CD2-CD1 3.72Å; F11-Y39 HydrophobicContact CD2-CD1 3.72Å; F11-Y39 HydrophobicContact CD2-CE1 4.48Å; F11-Y39 AromaticContact CE2-CD1 3.76Å; F11-Y39 HydrophobicContact CE2-CD1 3.76Å; F11-Y39 HydrophobicContact CE2-CE1 4.44Å; F11-Y39 HydrophobicContact CE2-CG 4.36Å; E33-Y39 HydrophobicContact CB-CD1 4.43Å; E33-Y39 HydrophobicContact CB-CE1 4.37Å; E33-Y39 HydrophobicContact CG-CD1 4.05Å; E33-Y39 HydrophobicContact CG-CE1 4.27Å; N36-Y39 VanDerWaalsContact CA-CZ 3.5Å; N36-Y39 HydrophobicContact CB-CD2 4.38Å; N36-Y39 HydrophobicContact CB-CE1 4.28Å; N36-Y39 HydrophobicContact CB-CE2 3.59Å; N36-Y39 WeakPolarHBondContact CB-OH 3.39Å; N36-Y39 WeakPolarHBondContact O-CD2 3.35Å; Y39-N45 PolarHBondContact O-ND2 3.02Å; Y39-R79 HydrophobicContact CD2-CG 4.41Å; Y39-F83 HydrophobicContact CD1-CD2 4.26Å; Y39-F83 HydrophobicContact CD2-CB 3.58Å; Y39-F83 AromaticContact CD2-CD2 3.6Å; Y39-F83 HydrophobicContact CD2-CD2 3.6Å; Y39-F83 AromaticContact CD2-CG 3.83Å; Y39-F83 HydrophobicContact CD2-CG 3.83Å; Y39-F83 AromaticContact CE1-CD2 3.97Å; Y39-F83 HydrophobicContact CE1-CD2 3.97Å; Y39-F83 HydrophobicContact CE1-CE2 4.38Å; Y39-F83 HydrophobicContact CE2-CB 4.04Å; Y39-F83 AromaticContact CE2-CD2 3.21Å; Y39-F83 HydrophobicContact CE2-CD2 3.21Å; Y39-F83 AromaticContact CE2-CE2 3.77Å; Y39-F83 HydrophobicContact CE2-CE2 3.77Å; Y39-F83 AromaticContact CE2-CG 3.74Å; Y39-F83 HydrophobicContact CE2-CG 3.74Å; Y39-F83 HydrophobicContact CG-CB 4.08Å; Y39-F83 HydrophobicContact CG-CD2 4.08Å; Y39-F83 AromaticContact CZ-CD2 3.42Å; Y39-F83 VanDerWaalsContact CZ-CD2 3.42Å; Y39-F83 AromaticContact CZ-CE2 3.67Å; Y39-V94 HydrophobicContact CE1-CG1 4.21Å; Y39-D96 VanDerWaalsContact CE1-OD1 3.25Å; Y39-D96 WeakPolarHBondContact CE1-OD1 3.43Å; Y39-D96 VanDerWaalsContact CZ-OD1 3.31Å; Y39-D96 PolarHBondContact OH-OD1 3.35Å; Y39-D96 PolarHBondContact OH-OD2 2.93Å
40G96.3Very high96.6Very high2 Ų229 Ų292%0.02117%0.168CC..THydrogen-bonded Turntrans97.6-9.8-174.200000115.1F11 K16 M38 I44F11-G40 CarbonylContact O-C 3.59Å; K16-G40 PolarHBondContact NZ-O 2.9Å; M38-G40 PolarHBondContact O-N 2.66Å; M38-G40 VanDerWaalsContact O-N 3.11Å; G40-I44 WeakPolarHBondContact O-CG1 3.33Å
41G96.8Very high96.5Very high6 Ų629.4 Ų29.46%0.06217%0.17CC..  trans83.3-173.4174.900000114.6F11 M38 C43 I44 N45F11-G41 WeakPolarHBondContact O-CA 3.27Å; F11-G41 PolarHBondContact O-N 3.42Å; F11-G41 VanDerWaalsContact O-N 3.09Å; M38-G41 WeakPolarHBondContact O-CA 3.44Å; M38-G41 PolarHBondContact O-N 2.98Å; G41-C43 VanDerWaalsContact C-N 3.31Å; G41-C43 PolarHBondContact O-N 3.49Å; G41-I44 PolarHBondContact O-N 3.24Å; G41-I44 VanDerWaalsContact O-N 3.16Å; G41-N45 PolarHBondContact O-N 3.49Å; G41-N45 PolarHBondContact O-ND2 3.33Å; G41-N45 VanDerWaalsContact O-ND2 3.12Å
42T96.2Very high96.3Very high47 Ų4733.5 Ų33.529%0.28819%0.188SC..Hα-helixtrans-49.9-48.1-178.2-53.10000112.7I44 N45 I46 G47T42-I44 VanDerWaalsContact C-N 3.26Å; T42-I44 PolarHBondContact O-N 2.93Å; T42-N45 PolarHBondContact O-N 2.89Å; T42-I46 HydrophobicContact CG2-CD1 4.32Å; T42-I46 HydrophobicContact CG2-CG1 3.91Å; T42-I46 CarbonylContact O-C 3.6Å; T42-I46 PolarHBondContact O-N 3.47Å; T42-G47 WeakPolarHBondContact O-CA 3.03Å; T42-G47 PolarHBondContact O-N 3.15Å
43C96.2Very high96.2Very high29 Ų2934.3 Ų34.320%0.19619%0.193CC..Hα-helixtrans-52.9-43.3-177.6-177.50000112.6G41 C48 I49 T300G41-C43 VanDerWaalsContact C-N 3.31Å; G41-C43 PolarHBondContact O-N 3.49Å; C43-C48 PolarHBondContact O-N 2.93Å; C43-C48 VanDerWaalsContact SG-CB 3.55Å; C43-C48 VanDerWaalsContact SG-SG 3.65Å; C43-I49 WeakPolarHBondContact O-CB 3.18Å; C43-I49 WeakPolarHBondContact O-CG1 3.45Å; C43-I49 PolarHBondContact O-N 3.03Å; C43-T300 HydrophobicContact CB-CG2 4.35Å
44I97.4Very high96.2Very high16 Ų1633.7 Ų33.78%0.08219%0.19CC..Hα-helixtrans-78.8-41.8-176.4-60.1-58.3000111.6G40 G41 T42 I49 L78G40-I44 WeakPolarHBondContact O-CG1 3.33Å; G41-I44 PolarHBondContact O-N 3.24Å; G41-I44 VanDerWaalsContact O-N 3.16Å; T42-I44 VanDerWaalsContact C-N 3.26Å; T42-I44 PolarHBondContact O-N 2.93Å; I44-I49 HydrophobicContact CD1-CG1 3.95Å; I44-L78 HydrophobicContact CG2-CB 3.87Å
45N97.8Very high96.1Very high8 Ų828.5 Ų28.54%0.04317%0.167CC..Hα-helixtrans-100.5-37.9-162.6-65.6-63.6000114.4A37 M38 Y39 G41 T42 R79A37-N45 PolarHBondContact O-OD1 3.3Å; M38-N45 WeakPolarHBondContact CA-ND2 3.36Å; M38-N45 PolarHBondContact O-ND2 2.91Å; M38-N45 HydrophobicContact SD-CB 3.88Å; Y39-N45 PolarHBondContact O-ND2 3.02Å; G41-N45 PolarHBondContact O-N 3.49Å; G41-N45 PolarHBondContact O-ND2 3.33Å; G41-N45 VanDerWaalsContact O-ND2 3.12Å; T42-N45 PolarHBondContact O-N 2.89Å; N45-R79 PolarHBondContact OD1-NE 3.01Å; N45-R79 PolarHBondContact OD1-NH2 3.39Å
46I96.2Very high96Very high32 Ų3230.4 Ų30.416%0.16417%0.171CC..THydrogen-bonded Turntrans-143.215.9-166.661.8166.5000113M38 T42 T149 L152M38-I46 HydrophobicContact CE-CD1 3.78Å; M38-I46 HydrophobicContact CE-CG1 4.02Å; M38-I46 HydrophobicContact SD-CD1 4.13Å; M38-I46 HydrophobicContact SD-CG1 4.26Å; M38-I46 HydrophobicContact SD-CG2 4.2Å; T42-I46 HydrophobicContact CG2-CD1 4.32Å; T42-I46 HydrophobicContact CG2-CG1 3.91Å; T42-I46 CarbonylContact O-C 3.6Å; T42-I46 PolarHBondContact O-N 3.47Å; I46-T149 HydrophobicContact CB-CG2 4.29Å; I46-T149 HydrophobicContact CG2-CG2 3.64Å; I46-L152 WeakPolarHBondContact O-CD1 3.27Å
47G93.8Very high96Very high15 Ų1525.9 Ų25.916%0.15515%0.147CC..SBendtrans-140.3-121.6-174.900000111.6T42 I49 P50 T51T42-G47 WeakPolarHBondContact O-CA 3.03Å; T42-G47 PolarHBondContact O-N 3.15Å; G47-I49 PolarHBondContact O-N 2.66Å; G47-P50 WeakPolarHBondContact O-CD 3.36Å; G47-P50 VanDerWaalsContact O-CG 3.23Å; G47-P50 WeakPolarHBondContact O-CG 3.15Å; G47-T51 WeakPolarHBondContact O-CG2 3.5Å; G47-T51 PolarHBondContact O-N 2.99Å; G47-T51 PolarHBondContact O-OG1 2.84Å
48C94Very high95.8Very high38 Ų3824.2 Ų24.226%0.25713%0.133SC..Hα-helixtrans-53.4-44.1-166.9-480000115.6C43 T51 K52C43-C48 PolarHBondContact O-N 2.93Å; C43-C48 VanDerWaalsContact SG-CB 3.55Å; C43-C48 VanDerWaalsContact SG-SG 3.65Å; C48-T51 PolarHBondContact O-OG1 3.35Å; C48-K52 WeakPolarHBondContact O-CB 3.3Å; C48-K52 VanDerWaalsContact O-CD 3.29Å; C48-K52 WeakPolarHBondContact O-CD 3.38Å; C48-K52 WeakPolarHBondContact O-CG 3.48Å; C48-K52 PolarHBondContact O-N 3.44Å
49I96.2Very high95.4Very high43 Ų4326.5 Ų26.522%0.22114%0.143CC..Hα-helixtrans-68.7-55.2-176.9-65.2-58.1000111.6C43 I44 G47 T51 T53 V74 V75 L78C43-I49 WeakPolarHBondContact O-CB 3.18Å; C43-I49 WeakPolarHBondContact O-CG1 3.45Å; C43-I49 PolarHBondContact O-N 3.03Å; I44-I49 HydrophobicContact CD1-CG1 3.95Å; G47-I49 PolarHBondContact O-N 2.66Å; I49-T51 PolarHBondContact O-N 3.07Å; I49-T53 WeakPolarHBondContact O-CB 3.35Å; I49-T53 PolarHBondContact O-N 3.28Å; I49-T53 PolarHBondContact O-OG1 2.79Å; I49-V74 HydrophobicContact CG2-CG1 3.85Å; I49-V75 HydrophobicContact CG2-CG2 4.37Å; I49-L78 HydrophobicContact CD1-CD1 4.27Å; I49-L78 HydrophobicContact CG1-CD1 4.22Å; I49-L78 HydrophobicContact CG2-CD1 3.78Å
50P97Very high95Very high0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-62.4-43.3178.721.2-31.9000112.3G47 T53 L54 K71 V75 L152G47-P50 WeakPolarHBondContact O-CD 3.36Å; G47-P50 VanDerWaalsContact O-CG 3.23Å; G47-P50 WeakPolarHBondContact O-CG 3.15Å; P50-T53 PolarHBondContact O-N 3.38Å; P50-L54 WeakPolarHBondContact O-CG 3.42Å; P50-L54 PolarHBondContact O-N 3.31Å; P50-K71 HydrophobicContact CB-CD 3.79Å; P50-K71 HydrophobicContact CB-CG 3.65Å; P50-V75 HydrophobicContact CB-CG2 4Å; P50-V75 HydrophobicContact CG-CG2 4.33Å; P50-L152 HydrophobicContact CB-CD1 4.25Å; P50-L152 HydrophobicContact CB-CD2 4.43Å; P50-L152 HydrophobicContact CG-CD1 4.01Å
51T95.8Very high94.6Very high8 Ų839.4 Ų39.45%0.04920%0.204CC..Hα-helixtrans-63.1-46.3179.658.80000111.8G47 C48 I49 T53 L54 V55 L152 F173G47-T51 WeakPolarHBondContact O-CG2 3.5Å; G47-T51 PolarHBondContact O-N 2.99Å; G47-T51 PolarHBondContact O-OG1 2.84Å; C48-T51 PolarHBondContact O-OG1 3.35Å; I49-T51 PolarHBondContact O-N 3.07Å; T51-T53 VanDerWaalsContact C-N 3.32Å; T51-T53 PolarHBondContact O-N 3.35Å; T51-L54 PolarHBondContact O-N 3.11Å; T51-V55 WeakPolarHBondContact O-CG2 3.46Å; T51-V55 PolarHBondContact O-N 3.27Å; T51-L152 HydrophobicContact CG2-CD1 4.28Å; T51-L152 HydrophobicContact CG2-CD2 3.98Å; T51-F173 HydrophobicContact CG2-CE2 4.14Å; T51-F173 HydrophobicContact CG2-CZ 4.18Å
52K94.9Very high94.4Very high87 Ų8740.9 Ų40.938%0.37821%0.211SC..Hα-helixtrans-65.3-34.6178.1-71172.8-168.9-166.30113.2C48 L54 H56 F333C48-K52 WeakPolarHBondContact O-CB 3.3Å; C48-K52 VanDerWaalsContact O-CD 3.29Å; C48-K52 WeakPolarHBondContact O-CD 3.38Å; C48-K52 WeakPolarHBondContact O-CG 3.48Å; C48-K52 PolarHBondContact O-N 3.44Å; K52-L54 VanDerWaalsContact C-N 3.32Å; K52-H56 VanDerWaalsContact O-CB 3.29Å; K52-H56 WeakPolarHBondContact O-CB 3.39Å; K52-H56 PolarHBondContact O-N 3.3Å; K52-F333 HydrophobicContact CD-CD1 4.49Å; K52-F333 HydrophobicContact CD-CE1 4.2Å; K52-F333 HydrophobicContact CD-CZ 4.32Å; K52-F333 HydrophobicContact CG-CD1 4.11Å; K52-F333 HydrophobicContact CG-CE1 4.32Å; K52-F333 HydrophobicContact CG-CG 4.28Å
53T96.2Very high94.3Very high18 Ų1843.6 Ų43.611%0.1122%0.224CC..Hα-helixtrans-62.3-45.7175.1-54.30000109.9I49 P50 T51 H56 D57 R70 K71 V74I49-T53 WeakPolarHBondContact O-CB 3.35Å; I49-T53 PolarHBondContact O-N 3.28Å; I49-T53 PolarHBondContact O-OG1 2.79Å; P50-T53 PolarHBondContact O-N 3.38Å; T51-T53 VanDerWaalsContact C-N 3.32Å; T51-T53 PolarHBondContact O-N 3.35Å; T53-H56 PolarHBondContact O-N 3.1Å; T53-D57 WeakPolarHBondContact O-CB 3.15Å; T53-D57 PolarHBondContact O-N 2.85Å; T53-R70 HydrophobicContact CG2-CG 4.5Å; T53-K71 HydrophobicContact CG2-CB 4.14Å; T53-V74 HydrophobicContact CG2-CG2 4.48Å
54L97.2Very high94.3Very high2 Ų242.7 Ų42.71%0.0122%0.217CC..Hα-helixtrans-69.8-41.8178.8-68.2179000113.1P50 T51 K52 H56 D57 A58 A67 I68 K71 L152 M176 F180P50-L54 WeakPolarHBondContact O-CG 3.42Å; P50-L54 PolarHBondContact O-N 3.31Å; T51-L54 PolarHBondContact O-N 3.11Å; K52-L54 VanDerWaalsContact C-N 3.32Å; L54-H56 VanDerWaalsContact C-N 3.31Å; L54-H56 PolarHBondContact O-N 3.18Å; L54-D57 PolarHBondContact O-N 2.85Å; L54-A58 WeakPolarHBondContact O-CB 3.47Å; L54-A58 PolarHBondContact O-N 3.06Å; L54-A67 HydrophobicContact CD2-CB 3.95Å; L54-I68 HydrophobicContact CD1-CD1 4.15Å; L54-I68 HydrophobicContact CD2-CD1 4.06Å; L54-K71 HydrophobicContact CD1-CD 4.13Å; L54-K71 HydrophobicContact CD2-CB 3.97Å; L54-K71 HydrophobicContact CD2-CD 4.45Å; L54-K71 HydrophobicContact CD2-CG 4.35Å; L54-K71 HydrophobicContact CG-CB 4.27Å; L54-K71 HydrophobicContact CG-CD 4.27Å; L54-K71 HydrophobicContact CG-CG 4.15Å; L54-L152 HydrophobicContact CD1-CD2 3.72Å; L54-M176 HydrophobicContact CB-CG 4.3Å; L54-M176 HydrophobicContact CB-SD 3.44Å; L54-M176 WeakPolarHBondContact CB-SD 3.17Å; L54-M176 HydrophobicContact CD1-CE 4.45Å; L54-M176 HydrophobicContact CD1-SD 3.99Å; L54-M176 HydrophobicContact CG-SD 4.39Å; L54-F180 HydrophobicContact CB-CE2 4.16Å; L54-F180 HydrophobicContact CB-CZ 4.41Å; L54-F180 HydrophobicContact CD2-CZ 4.36Å; L54-F180 VanDerWaalsContact O-CZ 3.32Å; L54-F180 WeakPolarHBondContact O-CZ 3.24Å
55V94.8Very high94.3Very high17 Ų1745.6 Ų45.610%0.10324%0.235CC..Hα-helixtrans-59.7-43.6174.9168.90000110.9T51 A58 Q59 M176T51-V55 WeakPolarHBondContact O-CG2 3.46Å; T51-V55 PolarHBondContact O-N 3.27Å; V55-A58 PolarHBondContact O-N 3.36Å; V55-Q59 WeakPolarHBondContact O-CG 3.43Å; V55-Q59 PolarHBondContact O-N 3.36Å; V55-Q59 VanDerWaalsContact O-N 3.09Å; V55-M176 HydrophobicContact CG2-CB 4.09Å; V55-M176 HydrophobicContact CG2-CG 4.09Å; V55-M176 HydrophobicContact CG2-SD 4.18Å
56H92.7Very high94.2Very high84 Ų8453.7 Ų53.739%0.38927%0.265SS..Hα-helixtrans-60.7-46.2175.3175.372.3000111.6K52 T53 L54 Q59 Q60K52-H56 VanDerWaalsContact O-CB 3.29Å; K52-H56 WeakPolarHBondContact O-CB 3.39Å; K52-H56 PolarHBondContact O-N 3.3Å; T53-H56 PolarHBondContact O-N 3.1Å; L54-H56 VanDerWaalsContact C-N 3.31Å; L54-H56 PolarHBondContact O-N 3.18Å; H56-Q59 PolarHBondContact O-N 3.16Å; H56-Q60 WeakPolarHBondContact O-CG 3.15Å; H56-Q60 PolarHBondContact O-N 3.07Å; H56-Q60 VanDerWaalsContact O-N 3.15Å
57D94.5Very high94.3Very high1 Ų152.2 Ų52.21%0.00526%0.257CS..Hα-helixtrans-69-34.9-178.7-75.4-5.3000112.7T53 L54 Q60 H61 T62 A67 R70 F180T53-D57 WeakPolarHBondContact O-CB 3.15Å; T53-D57 PolarHBondContact O-N 2.85Å; L54-D57 PolarHBondContact O-N 2.85Å; D57-Q60 CarbonylContact O-C 3.58Å; D57-Q60 PolarHBondContact O-N 3.15Å; D57-H61 PolarHBondContact O-N 3.08Å; D57-T62 WeakPolarHBondContact O-CB 3.34Å; D57-T62 PolarHBondContact O-N 3.4Å; D57-T62 PolarHBondContact O-OG1 3.38Å; D57-A67 HydrophobicContact CB-CB 3.71Å; D57-R70 IonicContact OD1-CZ 2.68Å; D57-R70 IonicContact OD1-NH1 3.81Å; D57-R70 PolarHBondContact OD1-NH1 3.4Å; D57-R70 IonicContact OD1-NH2 3.44Å; D57-R70 WeakPolarHBondContact OD2-CD 3.46Å; D57-R70 IonicContact OD2-NH1 2.83Å; D57-F180 HydrophobicContact CB-CZ 4.43Å
58A93.4Very high94.4Very high2 Ų252.1 Ų52.12%0.01725%0.253CS..Hα-helixtrans-61.1-44.1172.100000111.4L54 V55 Q60 H61 N179 F180L54-A58 WeakPolarHBondContact O-CB 3.47Å; L54-A58 PolarHBondContact O-N 3.06Å; V55-A58 PolarHBondContact O-N 3.36Å; A58-Q60 PolarHBondContact O-N 3.43Å; A58-H61 PolarHBondContact O-N 2.89Å; A58-N179 HydrophobicContact CB-CB 3.83Å; A58-F180 HydrophobicContact CB-CD1 4.05Å; A58-F180 HydrophobicContact CB-CD2 3.83Å; A58-F180 HydrophobicContact CB-CE1 3.89Å; A58-F180 HydrophobicContact CB-CE2 3.66Å; A58-F180 HydrophobicContact CB-CG 4.02Å; A58-F180 HydrophobicContact CB-CZ 3.69Å
59Q87.8Confident94.6Very high83 Ų8355.8 Ų55.839%0.38827%0.267SS..Hα-helixtrans-65.7-24.9175.8-72175.6-16.300113.3V55 H56 H61 T335V55-Q59 WeakPolarHBondContact O-CG 3.43Å; V55-Q59 PolarHBondContact O-N 3.36Å; V55-Q59 VanDerWaalsContact O-N 3.09Å; H56-Q59 PolarHBondContact O-N 3.16Å; Q59-H61 VanDerWaalsContact C-N 3.29Å; Q59-T335 HydrophobicContact CG-CG2 4.44Å; Q59-T335 PolarHBondContact NE2-OG1 2.75Å
60Q89.2Confident94.6Very high122 Ų12258.8 Ų58.857%0.5728%0.275SS*.THydrogen-bonded Turntrans-88.96.5174.2-62.5-55.6-64.100112.8H56 D57 A58 T62H56-Q60 WeakPolarHBondContact O-CG 3.15Å; H56-Q60 PolarHBondContact O-N 3.07Å; H56-Q60 VanDerWaalsContact O-N 3.15Å; D57-Q60 CarbonylContact O-C 3.58Å; D57-Q60 PolarHBondContact O-N 3.15Å; A58-Q60 PolarHBondContact O-N 3.43Å; Q60-T62 PolarHBondContact O-N 3.01Å; Q60-T62 VanDerWaalsContact O-N 3.16Å
61H88.1Confident94.6Very high170 Ų17059 Ų5979%0.78728%0.276SS*.THydrogen-bonded Turntrans51.934.1-174.1-54-61.3000113D57 A58 Q59D57-H61 PolarHBondContact O-N 3.08Å; A58-H61 PolarHBondContact O-N 2.89Å; Q59-H61 VanDerWaalsContact C-N 3.29Å
62T91.8Very high94.7Very high36 Ų3661.3 Ų61.322%0.22129%0.288CS..  trans-70.7137.9175.4-58.20000109.1D57 Q60 F64 R66 A67D57-T62 WeakPolarHBondContact O-CB 3.34Å; D57-T62 PolarHBondContact O-N 3.4Å; D57-T62 PolarHBondContact O-OG1 3.38Å; Q60-T62 PolarHBondContact O-N 3.01Å; Q60-T62 VanDerWaalsContact O-N 3.16Å; T62-F64 PolarHBondContact O-N 3.28Å; T62-R66 HydrophobicContact CG2-CB 4.2Å; T62-R66 HydrophobicContact CG2-CG 4.24Å; T62-A67 HydrophobicContact CG2-CB 4.38Å
63D94.7Very high94.9Very high104 Ų10462.4 Ų62.456%0.55630%0.295SS*.  trans-51135.7172.4175.5-92.8000111.7V65 R66 A67D63-V65 PolarHBondContact O-N 3.1Å; D63-V65 WeakPolarHBondContact OD1-CB 3.22Å; D63-V65 PolarHBondContact OD1-N 3.39Å; D63-R66 HydrophobicContact CB-CB 4.26Å; D63-R66 WeakPolarHBondContact O-CB 3.21Å; D63-R66 PolarHBondContact O-N 3.07Å; D63-R66 PolarHBondContact OD1-N 2.93Å; D63-A67 PolarHBondContact O-N 2.91Å
64F96.9Very high94.9Very high10 Ų1063.7 Ų63.74%0.04430%0.303CS..Hα-helixtrans-59.8-41.8-172.9-179.1-98.8000112.9T62 R66 A67 I68 L154 E156 L157 F177 F180T62-F64 PolarHBondContact O-N 3.28Å; F64-R66 VanDerWaalsContact C-N 3.32Å; F64-R66 PolarHBondContact O-N 2.93Å; F64-A67 WeakPolarHBondContact O-CB 3.4Å; F64-A67 PolarHBondContact O-N 2.94Å; F64-I68 HydrophobicContact CD1-CG1 4.11Å; F64-I68 HydrophobicContact CE1-CD1 4.24Å; F64-I68 HydrophobicContact CE1-CG1 3.71Å; F64-I68 HydrophobicContact CE2-CD1 4.34Å; F64-I68 HydrophobicContact CE2-CG1 4.27Å; F64-I68 HydrophobicContact CZ-CD1 3.87Å; F64-I68 HydrophobicContact CZ-CG1 3.81Å; F64-I68 WeakPolarHBondContact O-CG1 3.28Å; F64-I68 PolarHBondContact O-N 3.13Å; F64-L154 HydrophobicContact CE1-CB 4.38Å; F64-L154 HydrophobicContact CZ-CB 4.35Å; F64-E156 VanDerWaalsContact CE1-C 3.44Å; F64-E156 WeakPolarHBondContact CE1-O 3.23Å; F64-L157 HydrophobicContact CB-CB 4.05Å; F64-L157 HydrophobicContact CB-CD1 4.36Å; F64-L157 HydrophobicContact CD1-CB 3.87Å; F64-L157 HydrophobicContact CD1-CD1 4.46Å; F64-L157 HydrophobicContact CD2-CB 4.42Å; F64-L157 HydrophobicContact CD2-CD1 3.57Å; F64-L157 HydrophobicContact CE1-CB 4.43Å; F64-L157 HydrophobicContact CE2-CD1 3.87Å; F64-L157 HydrophobicContact CG-CB 3.85Å; F64-L157 HydrophobicContact CG-CD1 3.89Å; F64-L157 HydrophobicContact CG-CG 4.45Å; F64-L157 HydrophobicContact CZ-CD1 4.44Å; F64-F177 AromaticContact CE2-CE1 3.93Å; F64-F177 HydrophobicContact CE2-CE1 3.93Å; F64-F177 HydrophobicContact CE2-CZ 4.24Å; F64-F177 AromaticContact CZ-CE1 3.99Å; F64-F177 HydrophobicContact CZ-CE1 3.99Å; F64-F177 HydrophobicContact CZ-CZ 4.25Å; F64-F180 HydrophobicContact CB-CD1 4.28Å; F64-F180 HydrophobicContact CD2-CB 4.32Å; F64-F180 HydrophobicContact CD2-CD1 4.02Å; F64-F180 AromaticContact CD2-CD2 3.81Å; F64-F180 HydrophobicContact CD2-CD2 3.81Å; F64-F180 HydrophobicContact CD2-CE1 4.25Å; F64-F180 HydrophobicContact CD2-CE2 4.04Å; F64-F180 AromaticContact CD2-CG 3.81Å; F64-F180 HydrophobicContact CD2-CG 3.81Å; F64-F180 HydrophobicContact CD2-CZ 4.26Å; F64-F180 HydrophobicContact CE2-CD2 4.17Å; F64-F180 HydrophobicContact CE2-CE2 4.33Å
65V96.4Very high95Very high78 Ų7863.7 Ų63.747%0.47330%0.302SS..Hα-helixtrans-64.8-42.6-179.5-178.50000109.8D63 I68 Q69D63-V65 PolarHBondContact O-N 3.1Å; D63-V65 WeakPolarHBondContact OD1-CB 3.22Å; D63-V65 PolarHBondContact OD1-N 3.39Å; V65-I68 PolarHBondContact O-N 2.95Å; V65-Q69 PolarHBondContact O-N 3.31Å
66R96.5Very high95.1Very high178 Ų17866.3 Ų66.367%0.67232%0.316SS*.Hα-helixtrans-64.1-40.6174.9-171.8177.2-177.9-179.90.4112.2T62 D63 F64 Q69 R70T62-R66 HydrophobicContact CG2-CB 4.2Å; T62-R66 HydrophobicContact CG2-CG 4.24Å; D63-R66 HydrophobicContact CB-CB 4.26Å; D63-R66 WeakPolarHBondContact O-CB 3.21Å; D63-R66 PolarHBondContact O-N 3.07Å; D63-R66 PolarHBondContact OD1-N 2.93Å; F64-R66 VanDerWaalsContact C-N 3.32Å; F64-R66 PolarHBondContact O-N 2.93Å; R66-Q69 PolarHBondContact O-N 3.45Å; R66-R70 PolarHBondContact O-N 2.75Å
67A97.3Very high95.4Very high0 Ų068.7 Ų68.70%033%0.325CS..Hα-helixtrans-62.9-42.8176.600000111.6L54 D57 T62 D63 F64 R70 K71 F180L54-A67 HydrophobicContact CD2-CB 3.95Å; D57-A67 HydrophobicContact CB-CB 3.71Å; T62-A67 HydrophobicContact CG2-CB 4.38Å; D63-A67 PolarHBondContact O-N 2.91Å; F64-A67 WeakPolarHBondContact O-CB 3.4Å; F64-A67 PolarHBondContact O-N 2.94Å; A67-R70 PolarHBondContact O-N 3.28Å; A67-K71 VanDerWaalsContact O-CB 3.27Å; A67-K71 WeakPolarHBondContact O-CB 3.41Å; A67-K71 PolarHBondContact O-N 3.26Å; A67-F180 HydrophobicContact CB-CE1 3.88Å; A67-F180 HydrophobicContact CB-CZ 3.79Å
68I97.5Very high95.6Very high14 Ų1470.5 Ų70.57%0.07234%0.335CS..Hα-helixtrans-62.4-43.9174.9-69.9-71.4000111.4L54 F64 V65 K71 N72L54-I68 HydrophobicContact CD1-CD1 4.15Å; L54-I68 HydrophobicContact CD2-CD1 4.06Å; F64-I68 HydrophobicContact CD1-CG1 4.11Å; F64-I68 HydrophobicContact CE1-CD1 4.24Å; F64-I68 HydrophobicContact CE1-CG1 3.71Å; F64-I68 HydrophobicContact CE2-CD1 4.34Å; F64-I68 HydrophobicContact CE2-CG1 4.27Å; F64-I68 HydrophobicContact CZ-CD1 3.87Å; F64-I68 HydrophobicContact CZ-CG1 3.81Å; F64-I68 WeakPolarHBondContact O-CG1 3.28Å; F64-I68 PolarHBondContact O-N 3.13Å; V65-I68 PolarHBondContact O-N 2.95Å; I68-K71 PolarHBondContact O-N 3.09Å; I68-N72 PolarHBondContact O-N 3.21Å; I68-N72 PolarHBondContact O-ND2 3.29Å
69Q97Very high95.8Very high114 Ų11473 Ų7353%0.53334%0.344SS..Hα-helixtrans-59.8-50.5176.3-176.7-179.1-15.600111.3V65 R66 K71 N72 E73V65-Q69 PolarHBondContact O-N 3.31Å; R66-Q69 PolarHBondContact O-N 3.45Å; Q69-K71 VanDerWaalsContact C-N 3.34Å; Q69-K71 PolarHBondContact O-N 2.65Å; Q69-N72 WeakPolarHBondContact O-CA 2.76Å; Q69-N72 WeakPolarHBondContact O-CB 3.31Å; Q69-N72 PolarHBondContact O-N 3.39Å; Q69-E73 PolarHBondContact NE2-OE1 2.77Å; Q69-E73 WeakPolarHBondContact O-CG 3.49Å; Q69-E73 PolarHBondContact O-N 3.39Å
70R97Very high96.2Very high106 Ų10673.4 Ų73.440%0.435%0.349SS..Hα-helixtrans-60.1-43.4177.3178.5177.6165.9-162.5-9.6111.9T53 D57 R66 A67 N72 E73 V74T53-R70 HydrophobicContact CG2-CG 4.5Å; D57-R70 IonicContact OD1-CZ 2.68Å; D57-R70 IonicContact OD1-NH1 3.81Å; D57-R70 PolarHBondContact OD1-NH1 3.4Å; D57-R70 IonicContact OD1-NH2 3.44Å; D57-R70 WeakPolarHBondContact OD2-CD 3.46Å; D57-R70 IonicContact OD2-NH1 2.83Å; R66-R70 PolarHBondContact O-N 2.75Å; A67-R70 PolarHBondContact O-N 3.28Å; R70-N72 VanDerWaalsContact C-N 3.28Å; R70-N72 PolarHBondContact O-N 3.32Å; R70-E73 WeakPolarHBondContact O-CB 3.41Å; R70-E73 PolarHBondContact O-N 3.35Å; R70-V74 HydrophobicContact CG-CG2 4.46Å; R70-V74 WeakPolarHBondContact O-CG2 3.13Å; R70-V74 PolarHBondContact O-N 3.15Å
71K97.8Very high96.6Very high4 Ų472.9 Ų72.92%0.01735%0.345CS..Hα-helixtrans-56.9-42.2173.6175.1-125.664.578.80111.3P50 T53 L54 A67 I68 Q69 V75P50-K71 HydrophobicContact CB-CD 3.79Å; P50-K71 HydrophobicContact CB-CG 3.65Å; T53-K71 HydrophobicContact CG2-CB 4.14Å; L54-K71 HydrophobicContact CD1-CD 4.13Å; L54-K71 HydrophobicContact CD2-CB 3.97Å; L54-K71 HydrophobicContact CD2-CD 4.45Å; L54-K71 HydrophobicContact CD2-CG 4.35Å; L54-K71 HydrophobicContact CG-CB 4.27Å; L54-K71 HydrophobicContact CG-CD 4.27Å; L54-K71 HydrophobicContact CG-CG 4.15Å; A67-K71 VanDerWaalsContact O-CB 3.27Å; A67-K71 WeakPolarHBondContact O-CB 3.41Å; A67-K71 PolarHBondContact O-N 3.26Å; I68-K71 PolarHBondContact O-N 3.09Å; Q69-K71 VanDerWaalsContact C-N 3.34Å; Q69-K71 PolarHBondContact O-N 2.65Å; K71-V75 HydrophobicContact CG-CG2 4.48Å; K71-V75 WeakPolarHBondContact O-CB 3.34Å; K71-V75 WeakPolarHBondContact O-CG2 2.89Å; K71-V75 PolarHBondContact O-N 3.29Å
72N97.6Very high97.1Very high57 Ų5765.7 Ų65.731%0.30531%0.312SS..Hα-helixtrans-62.6-43.8175.7-75.1-34.5000111.8I68 Q69 R70 V75 N76I68-N72 PolarHBondContact O-N 3.21Å; I68-N72 PolarHBondContact O-ND2 3.29Å; Q69-N72 WeakPolarHBondContact O-CA 2.76Å; Q69-N72 WeakPolarHBondContact O-CB 3.31Å; Q69-N72 PolarHBondContact O-N 3.39Å; R70-N72 VanDerWaalsContact C-N 3.28Å; R70-N72 PolarHBondContact O-N 3.32Å; N72-V75 PolarHBondContact O-N 3.29Å; N72-N76 VanDerWaalsContact O-CB 3.27Å; N72-N76 WeakPolarHBondContact O-CB 3.49Å; N72-N76 PolarHBondContact O-N 3.03Å; N72-N76 PolarHBondContact O-ND2 3.5Å
73E98Very high97.4Very high110 Ų11066.5 Ų66.551%0.51431%0.313SS..Hα-helixtrans-60.5-48.4176.9-68.7167.6-17100111.8Q69 R70 N76 F77Q69-E73 PolarHBondContact NE2-OE1 2.77Å; Q69-E73 WeakPolarHBondContact O-CG 3.49Å; Q69-E73 PolarHBondContact O-N 3.39Å; R70-E73 WeakPolarHBondContact O-CB 3.41Å; R70-E73 PolarHBondContact O-N 3.35Å; E73-N76 PolarHBondContact O-N 3.4Å; E73-F77 WeakPolarHBondContact O-CB 3.4Å; E73-F77 PolarHBondContact O-N 3.07Å
74V97.8Very high97.5Very high46 Ų4666 Ų6628%0.27931%0.306SS..Hα-helixtrans-62.1-45.7178.5173.30000111.5I49 T53 R70 L78I49-V74 HydrophobicContact CG2-CG1 3.85Å; T53-V74 HydrophobicContact CG2-CG2 4.48Å; R70-V74 HydrophobicContact CG-CG2 4.46Å; R70-V74 WeakPolarHBondContact O-CG2 3.13Å; R70-V74 PolarHBondContact O-N 3.15Å; V74-L78 HydrophobicContact CG1-CD1 4.04Å; V74-L78 WeakPolarHBondContact O-CB 3.08Å; V74-L78 WeakPolarHBondContact O-CG 3.17Å; V74-L78 PolarHBondContact O-N 3.02Å
75V98.2Very high97.4Very high1 Ų169.6 Ų69.61%0.00633%0.326CS..Hα-helixtrans-63.7-47.2178.6169.10000110.7I49 P50 K71 N72 F77 L78 R79I49-V75 HydrophobicContact CG2-CG2 4.37Å; P50-V75 HydrophobicContact CB-CG2 4Å; P50-V75 HydrophobicContact CG-CG2 4.33Å; K71-V75 HydrophobicContact CG-CG2 4.48Å; K71-V75 WeakPolarHBondContact O-CB 3.34Å; K71-V75 WeakPolarHBondContact O-CG2 2.89Å; K71-V75 PolarHBondContact O-N 3.29Å; N72-V75 PolarHBondContact O-N 3.29Å; V75-F77 PolarHBondContact O-N 3.47Å; V75-L78 PolarHBondContact O-N 3.17Å; V75-R79 WeakPolarHBondContact O-CB 3.43Å; V75-R79 PolarHBondContact O-N 3.37Å
76N97.9Very high97.5Very high72 Ų7266 Ų6639%0.38531%0.305SS..Hα-helixtrans-62.7-43.8179.8-73-21.3000111.7N72 E73 L78 R79 N80N72-N76 VanDerWaalsContact O-CB 3.27Å; N72-N76 WeakPolarHBondContact O-CB 3.49Å; N72-N76 PolarHBondContact O-N 3.03Å; N72-N76 PolarHBondContact O-ND2 3.5Å; E73-N76 PolarHBondContact O-N 3.4Å; N76-L78 PolarHBondContact O-N 2.99Å; N76-R79 PolarHBondContact O-N 3.06Å; N76-R79 PolarHBondContact OD1-NH1 3.19Å; N76-N80 WeakPolarHBondContact O-CB 3.44Å; N76-N80 PolarHBondContact O-N 2.85Å; N76-N80 PolarHBondContact O-ND2 3.37Å
77F97.9Very high97.4Very high134 Ų13459.2 Ų59.259%0.58829%0.287SS*.Hα-helixtrans-57.7-50.1175.5173.3-100.4000111.6E73 V75 K81E73-F77 WeakPolarHBondContact O-CB 3.4Å; E73-F77 PolarHBondContact O-N 3.07Å; V75-F77 PolarHBondContact O-N 3.47Å; F77-K81 WeakPolarHBondContact O-CB 3.37Å; F77-K81 PolarHBondContact O-N 3.35Å
78L98Very high97.3Very high40 Ų4064.7 Ų64.721%0.20932%0.316CS..Hα-helixtrans-70.4-36.5-178.9-70.4174.5000112.4I44 I49 V74 V75 N76 K81 N82I44-L78 HydrophobicContact CG2-CB 3.87Å; I49-L78 HydrophobicContact CD1-CD1 4.27Å; I49-L78 HydrophobicContact CG1-CD1 4.22Å; I49-L78 HydrophobicContact CG2-CD1 3.78Å; V74-L78 HydrophobicContact CG1-CD1 4.04Å; V74-L78 WeakPolarHBondContact O-CB 3.08Å; V74-L78 WeakPolarHBondContact O-CG 3.17Å; V74-L78 PolarHBondContact O-N 3.02Å; V75-L78 PolarHBondContact O-N 3.17Å; N76-L78 PolarHBondContact O-N 2.99Å; L78-K81 PolarHBondContact O-N 3.09Å; L78-N82 WeakPolarHBondContact O-CB 3.48Å; L78-N82 PolarHBondContact O-N 3.24Å; L78-N82 PolarHBondContact O-ND2 3.27Å
79R98Very high97.2Very high53 Ų5365.9 Ų65.920%0.232%0.321CS..Hα-helixtrans-60.3-52.7175.1-177-170.7-63156.60.6110.9N36 A37 Y39 N45 V75 N76 K81 N82 F83N36-R79 WeakPolarHBondContact O-CD 3.47Å; A37-R79 VanDerWaalsContact O-CZ 3.3Å; A37-R79 PolarHBondContact O-NE 2.93Å; A37-R79 PolarHBondContact O-NH2 2.68Å; Y39-R79 HydrophobicContact CD2-CG 4.41Å; N45-R79 PolarHBondContact OD1-NE 3.01Å; N45-R79 PolarHBondContact OD1-NH2 3.39Å; V75-R79 WeakPolarHBondContact O-CB 3.43Å; V75-R79 PolarHBondContact O-N 3.37Å; N76-R79 PolarHBondContact O-N 3.06Å; N76-R79 PolarHBondContact OD1-NH1 3.19Å; R79-K81 VanDerWaalsContact C-N 3.3Å; R79-K81 PolarHBondContact O-N 3.28Å; R79-N82 PolarHBondContact O-N 2.71Å; R79-N82 VanDerWaalsContact O-N 3.08Å; R79-F83 PolarHBondContact O-N 3.35Å
80N97.8Very high97Very high93 Ų9366.4 Ų66.450%0.49734%0.335SS..Hα-helixtrans-58-43.9177.4-74.6-21.9000111.3N76 N82 F83 H84N76-N80 WeakPolarHBondContact O-CB 3.44Å; N76-N80 PolarHBondContact O-N 2.85Å; N76-N80 PolarHBondContact O-ND2 3.37Å; N80-N82 PolarHBondContact O-N 3.04Å; N80-F83 PolarHBondContact O-N 3.08Å; N80-H84 PolarHBondContact O-CD2 3.4Å; N80-H84 VanDerWaalsContact O-CD2 3.28Å; N80-H84 PolarHBondContact O-N 2.84Å
81K97.2Very high97Very high110 Ų11064.2 Ų64.248%0.47833%0.331SS..Hα-helixtrans-61-42175.1-175.6175.3-178.21740112.7F77 L78 R79 F83 N85F77-K81 WeakPolarHBondContact O-CB 3.37Å; F77-K81 PolarHBondContact O-N 3.35Å; L78-K81 PolarHBondContact O-N 3.09Å; R79-K81 VanDerWaalsContact C-N 3.3Å; R79-K81 PolarHBondContact O-N 3.28Å; K81-F83 VanDerWaalsContact C-N 3.33Å; K81-N85 VanDerWaalsContact O-CB 3.27Å; K81-N85 WeakPolarHBondContact O-CB 3.39Å; K81-N85 PolarHBondContact O-N 3.21Å; K81-N85 PolarHBondContact O-ND2 3.26Å; K81-N85 PolarHBondContact O-OD1 3.27Å
82N97.7Very high97Very high19 Ų1964.3 Ų64.310%0.10233%0.332CS..Hα-helixtrans-66.3-36.2178.6-84.4-93.3000112F11 K16 L78 R79 N80 L86F11-N82 HydrophobicContact CE1-CB 4.26Å; F11-N82 WeakPolarHBondContact CZ-O 3.38Å; K16-N82 WeakPolarHBondContact CE-OD1 3.35Å; K16-N82 PolarHBondContact NZ-OD1 3.21Å; L78-N82 WeakPolarHBondContact O-CB 3.48Å; L78-N82 PolarHBondContact O-N 3.24Å; L78-N82 PolarHBondContact O-ND2 3.27Å; R79-N82 PolarHBondContact O-N 2.71Å; R79-N82 VanDerWaalsContact O-N 3.08Å; N80-N82 PolarHBondContact O-N 3.04Å; N82-L86 VanDerWaalsContact O-CD1 3.3Å; N82-L86 WeakPolarHBondContact O-CD1 3.32Å
83F97.8Very high97Very high54 Ų5464.4 Ų64.424%0.23733%0.332CS..Hα-helixtrans-63.2-58.3173.8177.1-105.5000111.6Y39 R79 N80 K81 N85 L86 A87 V94Y39-F83 HydrophobicContact CD1-CD2 4.26Å; Y39-F83 HydrophobicContact CD2-CB 3.58Å; Y39-F83 AromaticContact CD2-CD2 3.6Å; Y39-F83 HydrophobicContact CD2-CD2 3.6Å; Y39-F83 AromaticContact CD2-CG 3.83Å; Y39-F83 HydrophobicContact CD2-CG 3.83Å; Y39-F83 AromaticContact CE1-CD2 3.97Å; Y39-F83 HydrophobicContact CE1-CD2 3.97Å; Y39-F83 HydrophobicContact CE1-CE2 4.38Å; Y39-F83 HydrophobicContact CE2-CB 4.04Å; Y39-F83 AromaticContact CE2-CD2 3.21Å; Y39-F83 HydrophobicContact CE2-CD2 3.21Å; Y39-F83 AromaticContact CE2-CE2 3.77Å; Y39-F83 HydrophobicContact CE2-CE2 3.77Å; Y39-F83 AromaticContact CE2-CG 3.74Å; Y39-F83 HydrophobicContact CE2-CG 3.74Å; Y39-F83 HydrophobicContact CG-CB 4.08Å; Y39-F83 HydrophobicContact CG-CD2 4.08Å; Y39-F83 AromaticContact CZ-CD2 3.42Å; Y39-F83 VanDerWaalsContact CZ-CD2 3.42Å; Y39-F83 AromaticContact CZ-CE2 3.67Å; R79-F83 PolarHBondContact O-N 3.35Å; N80-F83 PolarHBondContact O-N 3.08Å; K81-F83 VanDerWaalsContact C-N 3.33Å; F83-N85 VanDerWaalsContact C-N 3.28Å; F83-N85 PolarHBondContact O-N 2.93Å; F83-L86 PolarHBondContact O-N 2.74Å; F83-A87 HydrophobicContact CD1-CB 4.1Å; F83-A87 HydrophobicContact CD2-CB 4.21Å; F83-A87 HydrophobicContact CE1-CB 3.69Å; F83-A87 HydrophobicContact CE2-CB 3.83Å; F83-A87 HydrophobicContact CG-CB 4.35Å; F83-A87 HydrophobicContact CZ-CB 3.55Å; F83-A87 WeakPolarHBondContact O-CB 3.4Å; F83-A87 PolarHBondContact O-N 2.95Å; F83-V94 HydrophobicContact CD2-CG1 4.26Å; F83-V94 HydrophobicContact CE2-CB 4.33Å; F83-V94 HydrophobicContact CE2-CG1 3.95Å
84H97.3Very high97Very high92 Ų9260.8 Ų60.843%0.42632%0.318SS..Hα-helixtrans-62.4-33-177.1-78.1-65.2000113.5N80 L86 D88N80-H84 PolarHBondContact O-CD2 3.4Å; N80-H84 VanDerWaalsContact O-CD2 3.28Å; N80-H84 PolarHBondContact O-N 2.84Å; H84-L86 PolarHBondContact O-N 3.4Å; H84-D88 WeakPolarHBondContact CB-OD2 3.45Å; H84-D88 IonicContact CG-OD2 3.52Å; H84-D88 IonicContact ND1-OD1 2.95Å; H84-D88 PolarHBondContact ND1-OD1 2.79Å; H84-D88 VanDerWaalsContact ND1-OD1 3.08Å; H84-D88 IonicContact ND1-OD2 3.02Å; H84-D88 PolarHBondContact ND1-OD2 3.44Å; H84-D88 VanDerWaalsContact O-CB 3.26Å; H84-D88 WeakPolarHBondContact O-CB 3.33Å; H84-D88 VanDerWaalsContact O-CG 3.23Å; H84-D88 PolarHBondContact O-N 2.67Å
85N95.2Very high97Very high86 Ų8659.3 Ų59.346%0.4631%0.308SS..Hα-helixtrans-57-22172.6-79.5-9.4000113.4K81 F83 M89K81-N85 VanDerWaalsContact O-CB 3.27Å; K81-N85 WeakPolarHBondContact O-CB 3.39Å; K81-N85 PolarHBondContact O-N 3.21Å; K81-N85 PolarHBondContact O-ND2 3.26Å; K81-N85 PolarHBondContact O-OD1 3.27Å; F83-N85 VanDerWaalsContact C-N 3.28Å; F83-N85 PolarHBondContact O-N 2.93Å; N85-M89 WeakPolarHBondContact O-CE 3.47Å
86L97.4Very high96.9Very high4 Ų461.5 Ų61.52%0.02132%0.32CS..Hα-helixtrans-112.5-47179.8-78.785.8000112.5F11 K16 A19 V20 L31 N82 F83 H84 D88 M89 I92 V94F11-L86 HydrophobicContact CE1-CD1 4.03Å; F11-L86 HydrophobicContact CE1-CD2 4.28Å; F11-L86 HydrophobicContact CZ-CB 4.24Å; F11-L86 HydrophobicContact CZ-CD1 3.98Å; F11-L86 HydrophobicContact CZ-CD2 4Å; F11-L86 HydrophobicContact CZ-CG 4.3Å; K16-L86 HydrophobicContact CB-CD1 4.3Å; K16-L86 HydrophobicContact CB-CD2 3.99Å; A19-L86 HydrophobicContact CB-CD2 3.83Å; V20-L86 HydrophobicContact CG2-CD1 4.12Å; V20-L86 HydrophobicContact CG2-CD2 4.48Å; V20-L86 HydrophobicContact CG2-CG 4.05Å; L31-L86 HydrophobicContact CD2-CD2 3.24Å; N82-L86 VanDerWaalsContact O-CD1 3.3Å; N82-L86 WeakPolarHBondContact O-CD1 3.32Å; F83-L86 PolarHBondContact O-N 2.74Å; H84-L86 PolarHBondContact O-N 3.4Å; L86-D88 PolarHBondContact O-N 3.28Å; L86-M89 HydrophobicContact CG-CE 4.39Å; L86-M89 PolarHBondContact O-N 3.02Å; L86-M89 VanDerWaalsContact O-N 3.12Å; L86-I92 HydrophobicContact CB-CD1 4.48Å; L86-I92 HydrophobicContact CB-CG2 4.41Å; L86-I92 HydrophobicContact CD2-CD1 4.47Å; L86-I92 HydrophobicContact CG-CD1 4.31Å; L86-V94 HydrophobicContact CB-CG2 4.05Å
87A95.2Very high96.9Very high35 Ų3558.3 Ų58.329%0.28930%0.303SS..Hα-helixtrans-63.3-28.6-178.100000113.3F83 M89 V94F83-A87 HydrophobicContact CD1-CB 4.1Å; F83-A87 HydrophobicContact CD2-CB 4.21Å; F83-A87 HydrophobicContact CE1-CB 3.69Å; F83-A87 HydrophobicContact CE2-CB 3.83Å; F83-A87 HydrophobicContact CG-CB 4.35Å; F83-A87 HydrophobicContact CZ-CB 3.55Å; F83-A87 WeakPolarHBondContact O-CB 3.4Å; F83-A87 PolarHBondContact O-N 2.95Å; A87-M89 VanDerWaalsContact C-N 3.28Å; A87-M89 PolarHBondContact O-N 3.43Å; A87-V94 HydrophobicContact CB-CG2 4.17Å
88D95.9Very high96.9Very high114 Ų11455.9 Ų55.961%0.6129%0.294SS*.THydrogen-bonded Turntrans-85.80.4180-54.4-12.4000112.3H84 L86H84-D88 WeakPolarHBondContact CB-OD2 3.45Å; H84-D88 IonicContact CG-OD2 3.52Å; H84-D88 IonicContact ND1-OD1 2.95Å; H84-D88 PolarHBondContact ND1-OD1 2.79Å; H84-D88 VanDerWaalsContact ND1-OD1 3.08Å; H84-D88 IonicContact ND1-OD2 3.02Å; H84-D88 PolarHBondContact ND1-OD2 3.44Å; H84-D88 VanDerWaalsContact O-CB 3.26Å; H84-D88 WeakPolarHBondContact O-CB 3.33Å; H84-D88 VanDerWaalsContact O-CG 3.23Å; H84-D88 PolarHBondContact O-N 2.67Å; L86-D88 PolarHBondContact O-N 3.28Å
89M95.4Very high96.9Very high39 Ų3954.2 Ų54.219%0.19229%0.286CS..SBendtrans-90.7130.7176.1-80.8-165.8-82.400111.9V20 N85 L86 A87 N91 I92V20-M89 HydrophobicContact CB-CE 3.91Å; V20-M89 HydrophobicContact CG1-CE 3.82Å; V20-M89 HydrophobicContact CG1-SD 4.28Å; V20-M89 HydrophobicContact CG2-CE 3.48Å; V20-M89 VanDerWaalsContact CG2-CE 3.48Å; N85-M89 WeakPolarHBondContact O-CE 3.47Å; L86-M89 HydrophobicContact CG-CE 4.39Å; L86-M89 PolarHBondContact O-N 3.02Å; L86-M89 VanDerWaalsContact O-N 3.12Å; A87-M89 VanDerWaalsContact C-N 3.28Å; A87-M89 PolarHBondContact O-N 3.43Å; M89-N91 PolarHBondContact O-N 3.27Å; M89-I92 HydrophobicContact CB-CD1 4.2Å; M89-I92 HydrophobicContact CB-CG1 4.28Å; M89-I92 HydrophobicContact CE-CD1 3.43Å; M89-I92 VanDerWaalsContact CE-CD1 3.43Å; M89-I92 PolarHBondContact O-N 3.04Å; M89-I92 HydrophobicContact SD-CD1 4.23Å
90P92.4Very high96.9Very high125 Ų12553.1 Ų53.181%0.81228%0.283SS*.THydrogen-bonded Turntrans-65.1-20.5-169.924.9-35.4000115.3
91N96.2Very high96.9Very high61 Ų6148.7 Ų48.733%0.32626%0.259SS..THydrogen-bonded Turntrans-102.87-176.3-73.5-13.9000113.4A23 W27 V29 M89A23-N91 HydrophobicContact CB-CB 3.92Å; A23-N91 PolarHBondContact O-ND2 3.08Å; A23-N91 VanDerWaalsContact O-ND2 3.11Å; W27-N91 WeakPolarHBondContact O-CB 3.23Å; V29-N91 PolarHBondContact N-O 3.36Å; M89-N91 PolarHBondContact O-N 3.27Å
92I98.3Very high97Very high6 Ų646.1 Ų46.13%0.03125%0.25CS..EExtended strand (participates in β ladder)trans-121119.2-179.2-56-178000109.9A19 A23 V29 L31 L86 M89 V94A19-I92 HydrophobicContact CB-CD1 4.18Å; A23-I92 HydrophobicContact CB-CD1 3.66Å; A23-I92 HydrophobicContact CB-CG1 3.39Å; V29-I92 HydrophobicContact CB-CG1 4.38Å; V29-I92 WeakPolarHBondContact O-CA 3.28Å; L31-I92 HydrophobicContact CB-CG2 4.46Å; L86-I92 HydrophobicContact CB-CD1 4.48Å; L86-I92 HydrophobicContact CB-CG2 4.41Å; L86-I92 HydrophobicContact CD2-CD1 4.47Å; L86-I92 HydrophobicContact CG-CD1 4.31Å; M89-I92 HydrophobicContact CB-CD1 4.2Å; M89-I92 HydrophobicContact CB-CG1 4.28Å; M89-I92 HydrophobicContact CE-CD1 3.43Å; M89-I92 VanDerWaalsContact CE-CD1 3.43Å; M89-I92 PolarHBondContact O-N 3.04Å; M89-I92 HydrophobicContact SD-CD1 4.23Å; I92-V94 HydrophobicContact CG2-CG2 4.16Å
93D97.8Very high97Very high59 Ų5948 Ų4832%0.31626%0.26SS..EExtended strand (participates in β ladder)trans-94.6112166.5-68.7-24000108.5Y4 R28 V29 A30 L31 I95Y4-D93 HydrophobicContact CE1-CB 3.97Å; Y4-D93 WeakPolarHBondContact CE1-OD2 3.26Å; Y4-D93 VanDerWaalsContact CZ-OD2 3.27Å; Y4-D93 PolarHBondContact OH-OD2 3.29Å; R28-D93 IonicContact NE-OD2 2.88Å; R28-D93 IonicContact NH2-OD2 3.92Å; R28-D93 PolarHBondContact NH2-OD2 2.86Å; V29-D93 PolarHBondContact O-N 3.02Å; A30-D93 WeakPolarHBondContact CA-O 3.4Å; L31-D93 PolarHBondContact N-O 3.31Å; D93-I95 HydrophobicContact CB-CG1 4.42Å
94V97.8Very high96.9Very high34 Ų3448.2 Ų48.221%0.20626%0.264CS..EExtended strand (participates in β ladder)trans-85.1120170.7-178.70000108.6F11 L31 Y39 F83 L86 A87 I92F11-V94 HydrophobicContact CE2-CG1 4.14Å; L31-V94 WeakPolarHBondContact O-CA 3.44Å; Y39-V94 HydrophobicContact CE1-CG1 4.21Å; F83-V94 HydrophobicContact CD2-CG1 4.26Å; F83-V94 HydrophobicContact CE2-CB 4.33Å; F83-V94 HydrophobicContact CE2-CG1 3.95Å; L86-V94 HydrophobicContact CB-CG2 4.05Å; A87-V94 HydrophobicContact CB-CG2 4.17Å; I92-V94 HydrophobicContact CG2-CG2 4.16Å
95I97.2Very high96.9Very high14 Ų1446.7 Ų46.77%0.07226%0.257CS..EExtended strand (participates in β ladder)trans-119.3115.1-173.3-54.8175000109.4A30 L31 I32 E33 D93 V109 L116 I118A30-I95 HydrophobicContact CB-CD1 4.04Å; L31-I95 PolarHBondContact O-N 3.25Å; I32-I95 WeakPolarHBondContact CA-O 3.29Å; E33-I95 PolarHBondContact N-O 2.97Å; D93-I95 HydrophobicContact CB-CG1 4.42Å; I95-V109 HydrophobicContact CG2-CG1 4.07Å; I95-L116 HydrophobicContact CD1-CD2 4.14Å; I95-L116 HydrophobicContact CG2-CD2 4.15Å; I95-I118 HydrophobicContact CD1-CG2 4.41Å
96D97.3Very high97.1Very high48 Ų4843.2 Ų43.226%0.25724%0.239SC..EExtended strand (participates in β ladder)trans-79.3122.4172.9-68-22.4000111E33 Y39 R111E33-D96 CarbonylContact O-C 3.59Å; E33-D96 VanDerWaalsContact O-CA 3.3Å; E33-D96 WeakPolarHBondContact O-CA 3.36Å; Y39-D96 VanDerWaalsContact CE1-OD1 3.25Å; Y39-D96 WeakPolarHBondContact CE1-OD1 3.43Å; Y39-D96 VanDerWaalsContact CZ-OD1 3.31Å; Y39-D96 PolarHBondContact OH-OD1 3.35Å; Y39-D96 PolarHBondContact OH-OD2 2.93Å; D96-R111 VanDerWaalsContact O-CG 3.25Å; D96-R111 WeakPolarHBondContact O-CG 3.14Å; D96-R111 PolarHBondContact O-NE 2.99Å; D96-R111 VanDerWaalsContact O-NE 3.13Å
97G97.2Very high97.1Very high4 Ų443.1 Ų43.14%0.04124%0.239CC..SBendtrans157.4164.6172.700000114.1I32 E33 Q34 H110I32-G97 VanDerWaalsContact CG2-O 3.28Å; I32-G97 WeakPolarHBondContact CG2-O 3.44Å; E33-G97 CarbonylContact C-O 3.56Å; E33-G97 PolarHBondContact O-N 3.48Å; Q34-G97 WeakPolarHBondContact CA-O 3.28Å; G97-H110 CarbonylContact C-O 3.58Å; G97-H110 WeakPolarHBondContact CA-O 3.29Å
98Q97.8Very high97.2Very high83 Ų8344.8 Ų44.839%0.38824%0.237SC..EExtended strand (participates in β ladder)trans-84.7123.5178.9-174175.531.900110.1Q34 V109 H110 S258Q34-Q98 HydrophobicContact CB-CB 4.47Å; Q98-V109 CarbonylContact O-C 3.11Å; Q98-V109 WeakPolarHBondContact O-CA 3.23Å; Q98-H110 HydrophobicContact CB-CB 4.38Å; Q98-H110 PolarHBondContact N-O 2.66Å; Q98-H110 PolarHBondContact O-CD2 3.47Å; Q98-H110 PolarHBondContact O-N 3.08Å; Q98-S258 PolarHBondContact NE2-OG 3.39Å
99A97.9Very high97.3Very high5 Ų539.3 Ų39.34%0.04121%0.208CC..EExtended strand (participates in β ladder)trans-88.3144179.300000112.3I9 I32 R108 L259I9-A99 HydrophobicContact CD1-CB 4.29Å; I9-A99 HydrophobicContact CG2-CB 3.8Å; I32-A99 HydrophobicContact CD1-CB 4.07Å; I32-A99 HydrophobicContact CG2-CB 4.2Å; A99-R108 CarbonylContact C-O 3.58Å; A99-R108 WeakPolarHBondContact CA-O 3.48Å; A99-L259 WeakPolarHBondContact O-CD2 3.37Å
100E98Very high97.4Very high31 Ų3140.5 Ų40.515%0.14521%0.213CC..EExtended strand (participates in β ladder)trans-133.9149.8164.463.3171.7-161.400110.2L107 R108 H110 H260E100-L107 CarbonylContact O-C 3.58Å; E100-L107 VanDerWaalsContact O-CA 3.29Å; E100-L107 WeakPolarHBondContact O-CA 3.45Å; E100-L107 WeakPolarHBondContact O-CD2 3.23Å; E100-R108 HydrophobicContact CG-CB 3.76Å; E100-R108 PolarHBondContact N-O 2.78Å; E100-R108 PolarHBondContact O-N 3.12Å; E100-R108 WeakPolarHBondContact OE1-CD 3.28Å; E100-R108 IonicContact OE1-CZ 3.99Å; E100-R108 IonicContact OE1-NE 3.36Å; E100-R108 IonicContact OE1-NH1 2.68Å; E100-R108 PolarHBondContact OE1-NH1 3.41Å; E100-H110 VanDerWaalsContact CD-NE2 3.27Å; E100-H110 IonicContact OE1-CE1 3.23Å; E100-H110 IonicContact OE1-NE2 3.52Å; E100-H110 PolarHBondContact OE1-NE2 3.32Å; E100-H110 IonicContact OE2-NE2 3.42Å; E100-H260 IonicContact OE2-CD2 2.66Å
101F98.6Very high97.5Very high0 Ų038.5 Ų38.50%019%0.19CC..EExtended strand (participates in β ladder)trans-77.7127.7173.9-73.3-77.4000111.2I9 L107 I123 I125 L259 N263 A264 I266 I287I9-F101 HydrophobicContact CD1-CE2 4.29Å; I9-F101 HydrophobicContact CD1-CZ 3.93Å; F101-L107 HydrophobicContact CB-CD2 4.46Å; F101-L107 HydrophobicContact CD1-CD2 3.38Å; F101-L107 HydrophobicContact CD1-CG 4.29Å; F101-L107 HydrophobicContact CD2-CD2 4.32Å; F101-L107 HydrophobicContact CE1-CD2 3.54Å; F101-L107 HydrophobicContact CE1-CG 4.38Å; F101-L107 HydrophobicContact CE2-CD2 4.43Å; F101-L107 HydrophobicContact CG-CD2 3.8Å; F101-L107 HydrophobicContact CZ-CD2 4.06Å; F101-I123 HydrophobicContact CE1-CD1 3.88Å; F101-I123 HydrophobicContact CE1-CG2 3.95Å; F101-I123 HydrophobicContact CZ-CG2 4.01Å; F101-I125 HydrophobicContact CE2-CD1 3.76Å; F101-I125 HydrophobicContact CE2-CG1 4.33Å; F101-I125 HydrophobicContact CZ-CD1 3.71Å; F101-I125 HydrophobicContact CZ-CG1 4.02Å; F101-L259 HydrophobicContact CD2-CB 4.13Å; F101-L259 VanDerWaalsContact CD2-O 3.31Å; F101-L259 WeakPolarHBondContact CD2-O 3.12Å; F101-L259 HydrophobicContact CE2-CB 4.25Å; F101-L259 PolarHBondContact N-O 2.92Å; F101-N263 HydrophobicContact CB-CB 4.17Å; F101-N263 WeakPolarHBondContact O-CB 3.46Å; F101-N263 PolarHBondContact O-ND2 3.3Å; F101-A264 HydrophobicContact CB-CB 3.9Å; F101-A264 HydrophobicContact CD1-CB 3.59Å; F101-A264 HydrophobicContact CD2-CB 4.22Å; F101-A264 HydrophobicContact CE1-CB 4.13Å; F101-A264 HydrophobicContact CG-CB 3.65Å; F101-I266 HydrophobicContact CD2-CD1 4.31Å; F101-I266 HydrophobicContact CE1-CD1 4.42Å; F101-I266 HydrophobicContact CE2-CD1 3.79Å; F101-I266 HydrophobicContact CZ-CD1 3.86Å; F101-I287 HydrophobicContact CE1-CD1 3.8Å; F101-I287 HydrophobicContact CZ-CD1 4.25Å; F101-I287 HydrophobicContact CZ-CG2 4.46Å
102I97.9Very high97.1Very high55 Ų5541.4 Ų41.428%0.28221%0.212SC..EExtended strand (participates in β ladder)trans-88-41.7164.4-55.8172.6000109.2S106 R108 E117I102-S106 WeakPolarHBondContact CB-O 3.35Å; I102-S106 PolarHBondContact N-O 3.34Å; I102-R108 HydrophobicContact CD1-CB 4.04Å; I102-R108 HydrophobicContact CG1-CB 4.07Å; I102-E117 HydrophobicContact CD1-CG 4.04Å
103N97.6Very high96.6Very high58 Ų5848 Ų4831%0.3124%0.243SC..EExtended strand (participates in β ladder)trans-156.7-174.8171.956.756.2000108.9H105 S106 N263N103-H105 PolarHBondContact O-N 2.9Å; N103-H105 VanDerWaalsContact O-N 3.1Å; N103-H105 PolarHBondContact OD1-N 3.28Å; N103-S106 PolarHBondContact N-O 3.42Å; N103-S106 PolarHBondContact ND2-OG 3.01Å; N103-S106 PolarHBondContact O-N 3.1Å; N103-S106 WeakPolarHBondContact OD1-CB 3.45Å; N103-S106 PolarHBondContact OD1-N 3.41Å; N103-S106 PolarHBondContact OD1-OG 3.25Å; N103-N263 WeakPolarHBondContact CA-O 3.32Å
104N96.7Very high96.4Very high59 Ų5948.2 Ų48.232%0.31625%0.252SS..THydrogen-bonded Turntrans-64.9-11.7-178.668-22.1000115.2I123 A264 N286 I287N104-I123 WeakPolarHBondContact O-CD1 3.36Å; N104-A264 HydrophobicContact CB-CB 4.34Å; N104-N286 PolarHBondContact ND2-OD1 3.29Å; N104-N286 PolarHBondContact O-ND2 3.22Å; N104-I287 HydrophobicContact CB-CD1 4.14Å
105H98Very high96.2Very high61 Ų6151.3 Ų51.328%0.28227%0.267SS..THydrogen-bonded Turntrans-120.6-7.5179.4-75.6-68.5000114.6N103 H119 G120 N286N103-H105 PolarHBondContact O-N 2.9Å; N103-H105 VanDerWaalsContact O-N 3.1Å; N103-H105 PolarHBondContact OD1-N 3.28Å; H105-H119 CarbonylContact O-C 3.59Å; H105-H119 WeakPolarHBondContact O-CA 3.48Å; H105-H119 PolarHBondContact O-ND1 2.89Å; H105-G120 PolarHBondContact ND1-O 2.95Å; H105-G120 VanDerWaalsContact ND1-O 3.14Å; H105-G120 PolarHBondContact O-N 3.1Å; H105-N286 VanDerWaalsContact CE1-CG 3.49Å; H105-N286 PolarHBondContact CE1-ND2 3.47Å; H105-N286 VanDerWaalsContact CE1-ND2 3.25Å; H105-N286 PolarHBondContact ND1-ND2 2.96Å
106S97.9Very high96.1Very high13 Ų1352.6 Ų52.69%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-133129.4-169.4-44.40000110.2I102 N103 I118I102-S106 WeakPolarHBondContact CB-O 3.35Å; I102-S106 PolarHBondContact N-O 3.34Å; N103-S106 PolarHBondContact N-O 3.42Å; N103-S106 PolarHBondContact ND2-OG 3.01Å; N103-S106 PolarHBondContact O-N 3.1Å; N103-S106 WeakPolarHBondContact OD1-CB 3.45Å; N103-S106 PolarHBondContact OD1-N 3.41Å; N103-S106 PolarHBondContact OD1-OG 3.25Å; S106-I118 WeakPolarHBondContact CA-O 3.25Å
107L98.1Very high96.1Very high1 Ų154.4 Ų54.41%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-118.1143.3179.9-65.9157.9000109.5V7 I9 I32 E100 F101 E117 I118 I123V7-L107 HydrophobicContact CB-CD1 4.26Å; V7-L107 HydrophobicContact CG1-CD1 3.49Å; V7-L107 VanDerWaalsContact CG1-CD1 3.49Å; I9-L107 HydrophobicContact CD1-CD1 3.87Å; I9-L107 HydrophobicContact CD1-CD2 3.71Å; I9-L107 HydrophobicContact CD1-CG 4.48Å; I9-L107 HydrophobicContact CG1-CD1 4.21Å; I32-L107 HydrophobicContact CD1-CD1 4.09Å; E100-L107 CarbonylContact O-C 3.58Å; E100-L107 VanDerWaalsContact O-CA 3.29Å; E100-L107 WeakPolarHBondContact O-CA 3.45Å; E100-L107 WeakPolarHBondContact O-CD2 3.23Å; F101-L107 HydrophobicContact CB-CD2 4.46Å; F101-L107 HydrophobicContact CD1-CD2 3.38Å; F101-L107 HydrophobicContact CD1-CG 4.29Å; F101-L107 HydrophobicContact CD2-CD2 4.32Å; F101-L107 HydrophobicContact CE1-CD2 3.54Å; F101-L107 HydrophobicContact CE1-CG 4.38Å; F101-L107 HydrophobicContact CE2-CD2 4.43Å; F101-L107 HydrophobicContact CG-CD2 3.8Å; F101-L107 HydrophobicContact CZ-CD2 4.06Å; L107-E117 WeakPolarHBondContact O-CA 3.2Å; L107-I118 HydrophobicContact CB-CD1 4.14Å; L107-I118 HydrophobicContact CB-CG1 3.77Å; L107-I118 HydrophobicContact CD1-CD1 4.09Å; L107-I118 HydrophobicContact CD1-CG1 4.39Å; L107-I118 PolarHBondContact N-O 3.12Å; L107-I118 PolarHBondContact O-N 2.95Å; L107-I123 HydrophobicContact CD1-CD1 4.19Å; L107-I123 HydrophobicContact CD1-CG2 4.28Å; L107-I123 HydrophobicContact CG-CD1 4.33Å
108R97.9Very high96.1Very high70 Ų7054.2 Ų54.226%0.26428%0.279SS..EExtended strand (participates in β ladder)trans-98.5130162.8-174.8171.4-63.1120.32.9108.4A99 E100 I102 N115 E117A99-R108 CarbonylContact C-O 3.58Å; A99-R108 WeakPolarHBondContact CA-O 3.48Å; E100-R108 HydrophobicContact CG-CB 3.76Å; E100-R108 PolarHBondContact N-O 2.78Å; E100-R108 PolarHBondContact O-N 3.12Å; E100-R108 WeakPolarHBondContact OE1-CD 3.28Å; E100-R108 IonicContact OE1-CZ 3.99Å; E100-R108 IonicContact OE1-NE 3.36Å; E100-R108 IonicContact OE1-NH1 2.68Å; E100-R108 PolarHBondContact OE1-NH1 3.41Å; I102-R108 HydrophobicContact CD1-CB 4.04Å; I102-R108 HydrophobicContact CG1-CB 4.07Å; R108-N115 HydrophobicContact CG-CB 4.36Å; R108-E117 IonicContact CZ-OE1 3.65Å; R108-E117 IonicContact NE-OE1 3.48Å; R108-E117 PolarHBondContact NE-OE1 3.1Å; R108-E117 IonicContact NH2-OE1 2.92Å; R108-E117 PolarHBondContact NH2-OE1 3.41Å
109V97.9Very high96.2Very high0 Ų052.2 Ų52.20%027%0.27CS..EExtended strand (participates in β ladder)trans-110.5113.5175.9-172.10000108.3I32 I95 Q98 R111 N115 L116 I118I32-V109 HydrophobicContact CD1-CG2 3.83Å; I32-V109 HydrophobicContact CG1-CG2 4.4Å; I32-V109 HydrophobicContact CG2-CG1 3.84Å; I32-V109 HydrophobicContact CG2-CG2 4.28Å; I95-V109 HydrophobicContact CG2-CG1 4.07Å; Q98-V109 CarbonylContact O-C 3.11Å; Q98-V109 WeakPolarHBondContact O-CA 3.23Å; V109-R111 HydrophobicContact CB-CG 4.49Å; V109-R111 HydrophobicContact CG1-CG 3.96Å; V109-R111 PolarHBondContact O-N 2.91Å; V109-N115 WeakPolarHBondContact O-CA 3.32Å; V109-L116 HydrophobicContact CB-CB 4.44Å; V109-L116 PolarHBondContact N-O 3.41Å; V109-L116 PolarHBondContact O-N 3.47Å; V109-I118 HydrophobicContact CG2-CD1 3.85Å; V109-I118 HydrophobicContact CG2-CG1 4.28Å
110H97.3Very high96.2Very high64 Ų6452 Ų5230%0.29627%0.268SS..EExtended strand (participates in β ladder)trans-79.3112.1175.7-61.6-70.3000109.9G97 Q98 E100 N115G97-H110 CarbonylContact C-O 3.58Å; G97-H110 WeakPolarHBondContact CA-O 3.29Å; Q98-H110 HydrophobicContact CB-CB 4.38Å; Q98-H110 PolarHBondContact N-O 2.66Å; Q98-H110 PolarHBondContact O-CD2 3.47Å; Q98-H110 PolarHBondContact O-N 3.08Å; E100-H110 VanDerWaalsContact CD-NE2 3.27Å; E100-H110 IonicContact OE1-CE1 3.23Å; E100-H110 IonicContact OE1-NE2 3.52Å; E100-H110 PolarHBondContact OE1-NE2 3.32Å; E100-H110 IonicContact OE2-NE2 3.42Å; H110-N115 WeakPolarHBondContact CA-OD1 3.5Å; H110-N115 PolarHBondContact ND1-OD1 3.48Å
111R94.2Very high96.2Very high83 Ų8355.4 Ų55.431%0.31328%0.284SS..  trans-118.4157.1-177.8-43.7-178.755.3-139.4-19.3110.1D96 V109 E113 A114D96-R111 VanDerWaalsContact O-CG 3.25Å; D96-R111 WeakPolarHBondContact O-CG 3.14Å; D96-R111 PolarHBondContact O-NE 2.99Å; D96-R111 VanDerWaalsContact O-NE 3.13Å; V109-R111 HydrophobicContact CB-CG 4.49Å; V109-R111 HydrophobicContact CG1-CG 3.96Å; V109-R111 PolarHBondContact O-N 2.91Å; R111-E113 VanDerWaalsContact C-N 3.26Å; R111-E113 IonicContact CZ-OE2 3.78Å; R111-E113 IonicContact NH1-OE2 3.36Å; R111-E113 IonicContact NH2-OE2 3.9Å; R111-E113 PolarHBondContact NH2-OE2 3.23Å; R111-E113 PolarHBondContact O-N 2.83Å; R111-A114 WeakPolarHBondContact CB-O 3.28Å
112P87.7Confident96.2Very high121 Ų12158.6 Ų58.679%0.78630%0.298SS*.SBendtrans-57.4-36.3177.5-25.635000114
113E88.8Confident96.2Very high146 Ų14656 Ų5668%0.68228%0.284SS*.SBendtrans-83.6-50.3-177.8-52.4102.1-152.900113R111R111-E113 VanDerWaalsContact C-N 3.26Å; R111-E113 IonicContact CZ-OE2 3.78Å; R111-E113 IonicContact NH1-OE2 3.36Å; R111-E113 IonicContact NH2-OE2 3.9Å; R111-E113 PolarHBondContact NH2-OE2 3.23Å; R111-E113 PolarHBondContact O-N 2.83Å
114A92.5Very high96.3Very high62 Ų6253.2 Ų53.251%0.51227%0.269SS..  trans-163.8148.5-178.400000111.2R111R111-A114 WeakPolarHBondContact CB-O 3.28Å
115N93.9Very high96.4Very high99 Ų9950.4 Ų50.453%0.52925%0.254SS..  trans-62.3137.5170.3-67.3-21.8000110.3R108 V109 H110R108-N115 HydrophobicContact CG-CB 4.36Å; V109-N115 WeakPolarHBondContact O-CA 3.32Å; H110-N115 WeakPolarHBondContact CA-OD1 3.5Å; H110-N115 PolarHBondContact ND1-OD1 3.48Å
116L96Very high96.4Very high41 Ų4147.8 Ų47.822%0.21524%0.243CC..EExtended strand (participates in β ladder)trans-118128.2177.2177.267.3000109.7I95 V109 I118I95-L116 HydrophobicContact CD1-CD2 4.14Å; I95-L116 HydrophobicContact CG2-CD2 4.15Å; V109-L116 HydrophobicContact CB-CB 4.44Å; V109-L116 PolarHBondContact N-O 3.41Å; V109-L116 PolarHBondContact O-N 3.47Å; L116-I118 HydrophobicContact CD2-CG2 3.79Å; L116-I118 HydrophobicContact CG-CG2 3.81Å
117E97.3Very high96.4Very high86 Ų8649 Ų4940%0.40225%0.25SC..EExtended strand (participates in β ladder)trans-98127.7170.3-65.1-170.7167.900110.5M1 I102 L107 R108M1-E117 WeakPolarHBondContact CG-O 3.5Å; M1-E117 HydrophobicContact SD-CB 4.49Å; I102-E117 HydrophobicContact CD1-CG 4.04Å; L107-E117 WeakPolarHBondContact O-CA 3.2Å; R108-E117 IonicContact CZ-OE1 3.65Å; R108-E117 IonicContact NE-OE1 3.48Å; R108-E117 PolarHBondContact NE-OE1 3.1Å; R108-E117 IonicContact NH2-OE1 2.92Å; R108-E117 PolarHBondContact NH2-OE1 3.41Å
118I97.2Very high96.3Very high0 Ų049.4 Ų49.40%025%0.253CS..EExtended strand (participates in β ladder)trans-125.5148.9-178.963.8177.8000110.3Y4 V7 I32 I95 S106 L107 V109 L116Y4-I118 HydrophobicContact CD2-CB 4.4Å; Y4-I118 HydrophobicContact CE2-CB 4.31Å; Y4-I118 HydrophobicContact CE2-CG2 4.15Å; V7-I118 HydrophobicContact CG1-CD1 3.75Å; V7-I118 HydrophobicContact CG2-CD1 4.38Å; I32-I118 HydrophobicContact CD1-CD1 3.37Å; I32-I118 HydrophobicContact CG1-CD1 4.09Å; I95-I118 HydrophobicContact CD1-CG2 4.41Å; S106-I118 WeakPolarHBondContact CA-O 3.25Å; L107-I118 HydrophobicContact CB-CD1 4.14Å; L107-I118 HydrophobicContact CB-CG1 3.77Å; L107-I118 HydrophobicContact CD1-CD1 4.09Å; L107-I118 HydrophobicContact CD1-CG1 4.39Å; L107-I118 PolarHBondContact N-O 3.12Å; L107-I118 PolarHBondContact O-N 2.95Å; V109-I118 HydrophobicContact CG2-CD1 3.85Å; V109-I118 HydrophobicContact CG2-CG1 4.28Å; L116-I118 HydrophobicContact CD2-CG2 3.79Å; L116-I118 HydrophobicContact CG-CG2 3.81Å
119H98.3Very high96.3Very high41 Ų4146.7 Ų46.719%0.1925%0.246CC..EExtended strand (participates in β ladder)trans-111.7131.1175.8-178.277.4000110M1 N2 K3 Y4 H105M1-H119 HydrophobicContact CE-CB 3.57Å; M1-H119 HydrophobicContact CG-CB 3.97Å; M1-H119 HydrophobicContact SD-CB 4.07Å; N2-H119 PolarHBondContact O-N 3.25Å; K3-H119 HydrophobicContact CG-CB 4.13Å; Y4-H119 PolarHBondContact N-O 3.12Å; H105-H119 CarbonylContact O-C 3.59Å; H105-H119 WeakPolarHBondContact O-CA 3.48Å; H105-H119 PolarHBondContact O-ND1 2.89Å
120G98Very high96.2Very high0 Ų051 Ų510%027%0.266CS..EExtended strand (participates in β ladder)trans-122.3125.8175.700000111.8Y4 V7 H105Y4-G120 WeakPolarHBondContact O-CA 3.33Å; V7-G120 VanDerWaalsContact CG2-CA 3.48Å; H105-G120 PolarHBondContact ND1-O 2.95Å; H105-G120 VanDerWaalsContact ND1-O 3.14Å; H105-G120 PolarHBondContact O-N 3.1Å
121E98Very high96.1Very high103 Ų10349 Ų4948%0.48126%0.259SS..EExtended strand (participates in β ladder)trans-66.9-44.6170.5-65.3176.6-170.500110.6Y4 N286Y4-E121 PolarHBondContact O-N 3.2Å; E121-N286 PolarHBondContact O-ND2 3.14Å
122K98.6Very high96.1Very high67 Ų6747.2 Ų47.229%0.29126%0.257SS..EExtended strand (participates in β ladder)trans-122.5134.4172.4-60.2-168.1-170.5-53.50110.2Q5 A6 V7 W27 F124 N286 W288 L314Q5-K122 PolarHBondContact O-N 2.97Å; Q5-K122 VanDerWaalsContact O-N 3.07Å; A6-K122 CarbonylContact C-O 3.51Å; A6-K122 WeakPolarHBondContact CA-O 3.11Å; V7-K122 PolarHBondContact N-O 3.29Å; W27-K122 HydrophobicContact CH2-CD 3.94Å; W27-K122 HydrophobicContact CZ3-CD 3.95Å; K122-F124 HydrophobicContact CB-CE2 3.74Å; K122-F124 HydrophobicContact CB-CZ 3.88Å; K122-F124 HydrophobicContact CD-CZ 4.44Å; K122-N286 WeakPolarHBondContact CA-O 3.46Å; K122-W288 HydrophobicContact CB-CH2 4.5Å; K122-W288 HydrophobicContact CB-CZ3 3.74Å; K122-W288 HydrophobicContact CD-CH2 3.83Å; K122-W288 HydrophobicContact CD-CZ3 3.91Å; K122-W288 HydrophobicContact CG-CH2 4.17Å; K122-W288 HydrophobicContact CG-CZ3 3.88Å; K122-L314 HydrophobicContact CD-CD2 3.94Å
123I98.8Very high96.5Very high0 Ų044.8 Ų44.80%024%0.24CC..EExtended strand (participates in β ladder)trans-120136-178.6-54.6177.9000110.1V7 I9 F101 N104 L107 N286 I287 W288V7-I123 HydrophobicContact CB-CG1 4.39Å; V7-I123 CarbonylContact O-C 3.55Å; V7-I123 VanDerWaalsContact O-CA 3.29Å; V7-I123 WeakPolarHBondContact O-CA 3.43Å; I9-I123 HydrophobicContact CD1-CG2 4.04Å; I9-I123 HydrophobicContact CG1-CG2 4.32Å; F101-I123 HydrophobicContact CE1-CD1 3.88Å; F101-I123 HydrophobicContact CE1-CG2 3.95Å; F101-I123 HydrophobicContact CZ-CG2 4.01Å; N104-I123 WeakPolarHBondContact O-CD1 3.36Å; L107-I123 HydrophobicContact CD1-CD1 4.19Å; L107-I123 HydrophobicContact CD1-CG2 4.28Å; L107-I123 HydrophobicContact CG-CD1 4.33Å; I123-N286 PolarHBondContact N-O 3.42Å; I123-I287 HydrophobicContact CB-CG1 4.15Å; I123-I287 HydrophobicContact CB-CG2 4.28Å; I123-I287 HydrophobicContact CG2-CG2 4.43Å; I123-I287 VanDerWaalsContact O-CA 3.28Å; I123-I287 WeakPolarHBondContact O-CA 3.27Å; I123-W288 PolarHBondContact O-N 2.93Å
124F98.8Very high96.8Very high0 Ų039.1 Ų39.10%022%0.216CC..EExtended strand (participates in β ladder)trans-125.8114.5-176.6-58.2-85.1000110A6 V7 I8 I9 L18 L22 K122 W288 M290 V310 L314A6-F124 HydrophobicContact CB-CD2 4.32Å; A6-F124 HydrophobicContact CB-CE2 3.83Å; V7-F124 PolarHBondContact O-N 3.47Å; I8-F124 CarbonylContact C-O 3.45Å; I8-F124 WeakPolarHBondContact CA-O 3.3Å; I8-F124 HydrophobicContact CB-CB 4.5Å; I8-F124 HydrophobicContact CG1-CB 4.04Å; I8-F124 HydrophobicContact CG1-CD2 3.92Å; I8-F124 HydrophobicContact CG1-CG 4.33Å; I8-F124 HydrophobicContact CG2-CB 4.46Å; I9-F124 PolarHBondContact N-O 3.04Å; L18-F124 HydrophobicContact CD2-CB 4.14Å; L18-F124 HydrophobicContact CD2-CD1 3.45Å; L18-F124 VanDerWaalsContact CD2-CD1 3.45Å; L18-F124 HydrophobicContact CD2-CD2 3.96Å; L18-F124 HydrophobicContact CD2-CE1 3.82Å; L18-F124 HydrophobicContact CD2-CE2 4.25Å; L18-F124 HydrophobicContact CD2-CG 3.55Å; L18-F124 HydrophobicContact CD2-CZ 4.2Å; L22-F124 HydrophobicContact CD1-CE2 4.09Å; L22-F124 HydrophobicContact CD1-CZ 4.46Å; K122-F124 HydrophobicContact CB-CE2 3.74Å; K122-F124 HydrophobicContact CB-CZ 3.88Å; K122-F124 HydrophobicContact CD-CZ 4.44Å; F124-W288 WeakPolarHBondContact CA-O 3.48Å; F124-W288 HydrophobicContact CD1-CB 3.81Å; F124-W288 HydrophobicContact CD1-CD2 4.24Å; F124-W288 HydrophobicContact CD1-CE3 4.05Å; F124-W288 HydrophobicContact CD1-CG 4.17Å; F124-W288 HydrophobicContact CE1-CB 4.17Å; F124-W288 AromaticContact CE1-CD2 3.72Å; F124-W288 HydrophobicContact CE1-CD2 3.72Å; F124-W288 AromaticContact CE1-CE3 3.5Å; F124-W288 HydrophobicContact CE1-CE3 3.5Å; F124-W288 HydrophobicContact CE1-CG 4.01Å; F124-W288 HydrophobicContact CE1-CZ3 4.24Å; F124-W288 HydrophobicContact CZ-CD2 4.48Å; F124-W288 AromaticContact CZ-CE3 3.91Å; F124-W288 HydrophobicContact CZ-CE3 3.91Å; F124-W288 HydrophobicContact CZ-CZ3 4.23Å; F124-M290 HydrophobicContact CB-CE 3.76Å; F124-M290 HydrophobicContact CD1-CE 4.14Å; F124-M290 HydrophobicContact CG-CE 4.33Å; F124-V310 HydrophobicContact CD1-CG1 3.96Å; F124-V310 HydrophobicContact CE1-CG1 3.52Å; F124-L314 HydrophobicContact CE1-CD1 3.82Å; F124-L314 HydrophobicContact CZ-CD1 3.56Å
125I98.8Very high96.9Very high0 Ų042.7 Ų42.70%023%0.233CC..EExtended strand (participates in β ladder)trans-92.3119.3-178.3-54.5169.8000109.3I9 F101 T127 L259 I266 I274 I287 W288 A289 M290 V293I9-I125 HydrophobicContact CD1-CG1 4.48Å; F101-I125 HydrophobicContact CE2-CD1 3.76Å; F101-I125 HydrophobicContact CE2-CG1 4.33Å; F101-I125 HydrophobicContact CZ-CD1 3.71Å; F101-I125 HydrophobicContact CZ-CG1 4.02Å; I125-T127 HydrophobicContact CG2-CG2 4.16Å; I125-L259 HydrophobicContact CG2-CD1 3.7Å; I125-I266 HydrophobicContact CD1-CD1 3.75Å; I125-I274 HydrophobicContact CB-CD1 4.12Å; I125-I274 HydrophobicContact CD1-CD1 3.44Å; I125-I274 VanDerWaalsContact CD1-CD1 3.44Å; I125-I274 HydrophobicContact CG1-CD1 4.38Å; I125-I274 HydrophobicContact CG2-CD1 3.74Å; I125-I287 HydrophobicContact CD1-CG2 3.78Å; I125-I287 HydrophobicContact CG1-CG2 4.09Å; I125-W288 PolarHBondContact N-O 2.91Å; I125-A289 HydrophobicContact CB-CB 4.14Å; I125-A289 WeakPolarHBondContact O-CA 3.41Å; I125-M290 PolarHBondContact O-N 2.96Å; I125-V293 HydrophobicContact CG2-CG1 4.28Å; I125-V293 HydrophobicContact CG2-CG2 4.1Å
126N98.3Very high96.9Very high7 Ų739.3 Ų39.34%0.03722%0.215CC..  trans-137.742.3176-171.1-139.9000111.4I9 G12 G15 G128 M290I9-N126 CarbonylContact O-C 3.6Å; I9-N126 VanDerWaalsContact O-C 3.22Å; I9-N126 WeakPolarHBondContact O-CA 3.39Å; I9-N126 PolarHBondContact O-N 3.22Å; G12-N126 WeakPolarHBondContact CA-OD1 3.2Å; G12-N126 PolarHBondContact N-OD1 3Å; G15-N126 PolarHBondContact N-OD1 2.95Å; N126-G128 PolarHBondContact O-N 3.48Å; N126-M290 PolarHBondContact ND2-O 3.22Å
127T98.1Very high97Very high39 Ų3941.4 Ų41.424%0.23923%0.231CC..  trans-73.6-8.9-177.251.70000114.5I9 I125 A255 L259 V293I9-T127 HydrophobicContact CB-CG2 4.36Å; I9-T127 HydrophobicContact CG2-CG2 3.72Å; I9-T127 PolarHBondContact O-N 3.49Å; I125-T127 HydrophobicContact CG2-CG2 4.16Å; T127-A255 WeakPolarHBondContact CB-O 3.33Å; T127-A255 PolarHBondContact OG1-O 3.04Å; T127-L259 HydrophobicContact CG2-CD1 3.92Å; T127-L259 HydrophobicContact CG2-CD2 4.09Å; T127-L259 HydrophobicContact CG2-CG 4.39Å; T127-V293 VanDerWaalsContact OG1-CG2 3.31Å; T127-V293 WeakPolarHBondContact OG1-CG2 3.28Å
128G97Very high96.9Very high8 Ų838.2 Ų38.28%0.08222%0.221CC..  trans70.6-139.8174.900000113.1N126 A255 V293N126-G128 PolarHBondContact O-N 3.48Å; G128-A255 PolarHBondContact O-N 3.34Å; G128-V293 WeakPolarHBondContact O-CA 3.48Å; G128-V293 PolarHBondContact O-N 2.89Å
129A96.7Very high96.8Very high13 Ų1338.7 Ų38.711%0.10722%0.224CC..EExtended strand (participates in β ladder)trans-141163.4-175.100000111.6R252 Q253 D292A129-R252 VanDerWaalsContact C-NH2 3.3Å; A129-R252 HydrophobicContact CB-CB 4.22Å; A129-R252 PolarHBondContact O-NH2 2.97Å; A129-Q253 CarbonylContact C-O 3.34Å; A129-Q253 WeakPolarHBondContact CA-O 3.49Å; A129-Q253 VanDerWaalsContact CB-O 3.23Å; A129-Q253 WeakPolarHBondContact CB-O 3.41Å; A129-D292 HydrophobicContact CB-CB 3.84Å
130Q95.2Very high96.6Very high91 Ų9142.1 Ų42.143%0.42525%0.248SC..EExtended strand (participates in β ladder)trans-131.7161179.962.3-177.34.900111.4R252 Q253Q130-R252 CarbonylContact O-C 3.51Å; Q130-R252 WeakPolarHBondContact O-CA 3.31Å; Q130-Q253 HydrophobicContact CG-CG 3.74Å; Q130-Q253 PolarHBondContact N-O 3.46Å; Q130-Q253 PolarHBondContact O-N 3.33Å
131T95.6Very high96.4Very high22 Ų2247.5 Ų47.514%0.13528%0.281CS..EExtended strand (participates in β ladder)trans-62.5134.3-179.6-530000111.1D147 I248T131-D147 HydrophobicContact CG2-CB 4.15Å; T131-I248 HydrophobicContact CG2-CB 4.39Å; T131-I248 HydrophobicContact CG2-CG2 3.95Å
132V95.5Very high96.3Very high46 Ų4643.3 Ų43.328%0.27926%0.262SS..  trans-80.5119.1169175.10000108P134 S250 G251 Q253V132-P134 WeakPolarHBondContact O-CD 3.01Å; V132-S250 PolarHBondContact O-OG 3.16Å; V132-G251 PolarHBondContact N-O 3.18Å; V132-Q253 HydrophobicContact CG2-CB 3.78Å; V132-Q253 HydrophobicContact CG2-CG 3.96Å
133V95.3Very high96.1Very high70 Ų7044 Ų4442%0.42427%0.274SS..  trans-96.3113.3175.7-178.20000108.7I139 T140 I248V133-I139 HydrophobicContact CG1-CD1 4.2Å; V133-I139 HydrophobicContact CG1-CG1 4.44Å; V133-I139 HydrophobicContact CG1-CG2 3.74Å; V133-T140 HydrophobicContact CG1-CG2 3.87Å; V133-I248 HydrophobicContact CG1-CD1 4.4Å
134P94.1Very high96Very high27 Ų2744.8 Ų44.818%0.17528%0.282CS..  trans-62.3149.8177.6-2334.4000111.5V132 I136 I139 S250V132-P134 WeakPolarHBondContact O-CD 3.01Å; P134-I136 HydrophobicContact CB-CD1 3.83Å; P134-I136 HydrophobicContact CB-CG1 4Å; P134-I136 HydrophobicContact CG-CD1 4.43Å; P134-I136 PolarHBondContact O-N 3.3Å; P134-I139 HydrophobicContact CG-CD1 4.41Å; P134-S250 VanDerWaalsContact CD-OG 3.27Å; P134-S250 WeakPolarHBondContact CD-OG 3.34Å; P134-S250 WeakPolarHBondContact CG-OG 3.23Å
135P94.7Very high95.9Very high137 Ų13746 Ų4689%0.8929%0.289SS*.  trans-77.455.7179.934.3-37.2000112
136I95.7Very high95.9Very high28 Ų2849.6 Ų49.614%0.14430%0.303CS..  trans-94.6124.2179.8-63.8165.7000108.9P134 G138 I139 L164 V222 I225P134-I136 HydrophobicContact CB-CD1 3.83Å; P134-I136 HydrophobicContact CB-CG1 4Å; P134-I136 HydrophobicContact CG-CD1 4.43Å; P134-I136 PolarHBondContact O-N 3.3Å; I136-G138 PolarHBondContact O-N 2.7Å; I136-I139 HydrophobicContact CB-CB 4.23Å; I136-I139 HydrophobicContact CB-CD1 4.35Å; I136-I139 HydrophobicContact CD1-CD1 4.3Å; I136-I139 WeakPolarHBondContact O-CB 3.35Å; I136-I139 WeakPolarHBondContact O-CG2 3.45Å; I136-I139 PolarHBondContact O-N 2.93Å; I136-I139 VanDerWaalsContact O-N 3.11Å; I136-L164 HydrophobicContact CD1-CD1 4.37Å; I136-V222 HydrophobicContact CD1-CB 3.97Å; I136-V222 HydrophobicContact CD1-CG1 4.19Å; I136-V222 HydrophobicContact CG2-CG1 3.91Å; I136-I225 HydrophobicContact CG2-CD1 3.95Å; I136-I225 HydrophobicContact CG2-CG1 4.06Å
137P96.9Very high95.8Very high85 Ų8551.6 Ų51.655%0.55231%0.313SS*.THydrogen-bonded Turntrans-50126.3174.2-28.134000112.6E223 R224 I225P137-E223 WeakPolarHBondContact CD-O 3.45Å; P137-R224 HydrophobicContact CB-CB 4.19Å; P137-I225 PolarHBondContact O-N 3.04Å
138G95.4Very high95.7Very high19 Ų1950.2 Ų50.220%0.19631%0.305CS..THydrogen-bonded Turntrans88-9.2178.400000115.7I136 T140 T141 T142I136-G138 PolarHBondContact O-N 2.7Å; G138-T140 VanDerWaalsContact C-N 3.32Å; G138-T140 PolarHBondContact O-N 2.83Å; G138-T141 WeakPolarHBondContact CA-OG1 3.4Å; G138-T141 PolarHBondContact O-N 2.82Å; G138-T142 WeakPolarHBondContact O-CB 3.44Å; G138-T142 PolarHBondContact O-N 3.4Å; G138-T142 PolarHBondContact O-OG1 3.24Å
139I95.4Very high95.6Very high9 Ų951.8 Ų51.85%0.04631%0.313CS..THydrogen-bonded Turntrans-61.1-36.3-173.7-164167.8000114V133 P134 I136 V145 L164 I225 I248V133-I139 HydrophobicContact CG1-CD1 4.2Å; V133-I139 HydrophobicContact CG1-CG1 4.44Å; V133-I139 HydrophobicContact CG1-CG2 3.74Å; P134-I139 HydrophobicContact CG-CD1 4.41Å; I136-I139 HydrophobicContact CB-CB 4.23Å; I136-I139 HydrophobicContact CB-CD1 4.35Å; I136-I139 HydrophobicContact CD1-CD1 4.3Å; I136-I139 WeakPolarHBondContact O-CB 3.35Å; I136-I139 WeakPolarHBondContact O-CG2 3.45Å; I136-I139 PolarHBondContact O-N 2.93Å; I136-I139 VanDerWaalsContact O-N 3.11Å; I139-V145 HydrophobicContact CG1-CG1 4.2Å; I139-V145 WeakPolarHBondContact O-CG1 3.34Å; I139-L164 HydrophobicContact CD1-CD1 4.1Å; I139-I225 HydrophobicContact CB-CD1 3.83Å; I139-I225 HydrophobicContact CD1-CD1 4.18Å; I139-I225 HydrophobicContact CG1-CD1 3.72Å; I139-I248 HydrophobicContact CD1-CD1 3.91Å; I139-I248 HydrophobicContact CD1-CG1 4.11Å; I139-I248 HydrophobicContact CG1-CD1 3.77Å; I139-I248 HydrophobicContact CG1-CG1 4.24Å
140T93.3Very high95.6Very high114 Ų11452.2 Ų52.270%0.69932%0.32SS*.THydrogen-bonded Turntrans-94.3-15-179.252.50000113.7V133 G138V133-T140 HydrophobicContact CG1-CG2 3.87Å; G138-T140 VanDerWaalsContact C-N 3.32Å; G138-T140 PolarHBondContact O-N 2.83Å
141T94.4Very high95.6Very high112 Ų11247.9 Ų47.969%0.68730%0.299SS*.THydrogen-bonded Turntrans-107.2-16.5-173.555.30000113.5G138G138-T141 WeakPolarHBondContact CA-OG1 3.4Å; G138-T141 PolarHBondContact O-N 2.82Å
142T96.3Very high95.7Very high16 Ų1647 Ų4710%0.09829%0.294CS..SBendtrans-82124.2-178.9-57.10000110.5G138 V145 I225 S226 H227 V232G138-T142 WeakPolarHBondContact O-CB 3.44Å; G138-T142 PolarHBondContact O-N 3.4Å; G138-T142 PolarHBondContact O-OG1 3.24Å; T142-V145 HydrophobicContact CG2-CG2 4.26Å; T142-V145 WeakPolarHBondContact O-CG2 3.48Å; T142-I225 HydrophobicContact CG2-CG2 3.93Å; T142-S226 VanDerWaalsContact CG2-C 3.5Å; T142-H227 HydrophobicContact CG2-CB 3.77Å; T142-V232 HydrophobicContact CG2-CG1 4.36Å
143P94.7Very high95.7Very high82 Ų8249 Ų4953%0.53230%0.303SS..THydrogen-bonded Turntrans-59.3147.7171-22.133.6000111.8V145 V232P143-V145 VanDerWaalsContact C-N 3.33Å; P143-V232 WeakPolarHBondContact O-CG2 3.4Å
144G95.7Very high95.7Very high16 Ų1646.5 Ų46.517%0.16529%0.287CS..THydrogen-bonded Turntrans85.50.2-178.500000114.6Y146 A245 L246G144-Y146 VanDerWaalsContact C-CE2 3.41Å; G144-Y146 WeakPolarHBondContact O-CD2 3.35Å; G144-Y146 WeakPolarHBondContact O-CE2 3.49Å; G144-A245 WeakPolarHBondContact O-CA 3.31Å; G144-L246 PolarHBondContact O-N 3.27Å
145V97.5Very high95.7Very high24 Ų2453.8 Ų53.815%0.14532%0.316CS..EExtended strand (participates in β ladder)trans-94.2129.1170.2-172.20000109.8I139 T142 P143 I225 V232 L246 I248I139-V145 HydrophobicContact CG1-CG1 4.2Å; I139-V145 WeakPolarHBondContact O-CG1 3.34Å; T142-V145 HydrophobicContact CG2-CG2 4.26Å; T142-V145 WeakPolarHBondContact O-CG2 3.48Å; P143-V145 VanDerWaalsContact C-N 3.33Å; V145-I225 HydrophobicContact CG2-CG2 3.97Å; V145-V232 HydrophobicContact CG2-CG1 4.07Å; V145-V232 HydrophobicContact CG2-CG2 4.45Å; V145-L246 HydrophobicContact CG1-CD2 4.3Å; V145-L246 HydrophobicContact CG2-CB 4.31Å; V145-L246 HydrophobicContact CG2-CD2 4.11Å; V145-I248 HydrophobicContact CG1-CD1 3.85Å; V145-I248 HydrophobicContact CG1-CG1 3.91Å
146Y97.6Very high95.7Very high76 Ų7654.4 Ų54.430%0.29831%0.307SS..EExtended strand (participates in β ladder)trans-132149-174-56.3-79.6000111.2G144 L151 L154 A245 L246 L247 I248G144-Y146 VanDerWaalsContact C-CE2 3.41Å; G144-Y146 WeakPolarHBondContact O-CD2 3.35Å; G144-Y146 WeakPolarHBondContact O-CE2 3.49Å; Y146-L151 HydrophobicContact CD2-CD1 3.97Å; Y146-L151 HydrophobicContact CG-CD1 4.29Å; Y146-L154 HydrophobicContact CD2-CD2 4.38Å; Y146-L154 HydrophobicContact CE1-CD2 4.08Å; Y146-L154 HydrophobicContact CE2-CD2 3.83Å; Y146-A245 HydrophobicContact CD2-CB 4.1Å; Y146-A245 HydrophobicContact CE2-CB 3.93Å; Y146-L246 PolarHBondContact N-O 2.97Å; Y146-L247 CarbonylContact O-C 3.58Å; Y146-L247 WeakPolarHBondContact O-CA 3.5Å; Y146-I248 PolarHBondContact O-N 3.12Å
147D97.1Very high95.8Very high49 Ų4955.9 Ų55.926%0.26232%0.315SS..EExtended strand (participates in β ladder)trans-85.6178.6156.977.9-25.8000110.1T131 T149 G150 L151 L247T131-D147 HydrophobicContact CG2-CB 4.15Å; D147-T149 PolarHBondContact O-N 2.75Å; D147-T149 VanDerWaalsContact O-N 3.17Å; D147-T149 WeakPolarHBondContact OD1-CB 3.47Å; D147-T149 PolarHBondContact OD1-N 3.01Å; D147-T149 WeakPolarHBondContact OD2-CB 3.17Å; D147-T149 PolarHBondContact OD2-OG1 3.39Å; D147-G150 PolarHBondContact O-N 2.86Å; D147-G150 PolarHBondContact OD1-N 2.9Å; D147-L151 WeakPolarHBondContact O-CB 3.43Å; D147-L151 PolarHBondContact O-N 3.49Å; D147-L247 VanDerWaalsContact C-CD1 3.48Å
148S96Very high95.8Very high10 Ų1052.3 Ų52.37%0.0729%0.292CS..Hα-helixtrans-56.4-32177.3600000113.3L152S148-L152 VanDerWaalsContact O-CG 3.27Å; S148-L152 WeakPolarHBondContact O-CG 3.39Å; S148-L152 PolarHBondContact O-N 3.18Å
149T95.6Very high95.9Very high41 Ų4153.8 Ų53.825%0.25231%0.306SS..Hα-helixtrans-68.4-49.4178-51.40000111.3I46 D147 L151 N153I46-T149 HydrophobicContact CB-CG2 4.29Å; I46-T149 HydrophobicContact CG2-CG2 3.64Å; D147-T149 PolarHBondContact O-N 2.75Å; D147-T149 VanDerWaalsContact O-N 3.17Å; D147-T149 WeakPolarHBondContact OD1-CB 3.47Å; D147-T149 PolarHBondContact OD1-N 3.01Å; D147-T149 WeakPolarHBondContact OD2-CB 3.17Å; D147-T149 PolarHBondContact OD2-OG1 3.39Å; T149-L151 VanDerWaalsContact C-N 3.34Å; T149-N153 PolarHBondContact O-ND2 3.46Å
150G95.7Very high96Very high23 Ų2354.4 Ų54.424%0.23731%0.309CS..Hα-helixtrans-62.2-42.5178.100000111.9D147 L152 N153D147-G150 PolarHBondContact O-N 2.86Å; D147-G150 PolarHBondContact OD1-N 2.9Å; G150-L152 VanDerWaalsContact C-N 3.33Å; G150-L152 PolarHBondContact O-N 3.42Å; G150-N153 PolarHBondContact O-N 3.25Å
151L96.2Very high96.2Very high0 Ų049 Ų490%028%0.276CS..Hα-helixtrans-67.2-32.2-176.3-159.574.9000113Y146 D147 T149 N153 L154 L161 F173 F177 A245 L247Y146-L151 HydrophobicContact CD2-CD1 3.97Å; Y146-L151 HydrophobicContact CG-CD1 4.29Å; D147-L151 WeakPolarHBondContact O-CB 3.43Å; D147-L151 PolarHBondContact O-N 3.49Å; T149-L151 VanDerWaalsContact C-N 3.34Å; L151-N153 PolarHBondContact O-N 3.18Å; L151-N153 VanDerWaalsContact O-N 3.16Å; L151-L154 HydrophobicContact CD1-CD1 3.55Å; L151-L154 HydrophobicContact CD1-CG 4.08Å; L151-L154 HydrophobicContact CG-CD1 4.26Å; L151-L154 WeakPolarHBondContact O-CG 3.14Å; L151-L154 PolarHBondContact O-N 2.86Å; L151-L161 HydrophobicContact CD1-CD1 3.95Å; L151-L161 HydrophobicContact CD2-CD1 4.08Å; L151-L161 HydrophobicContact CD2-CD2 4.16Å; L151-F173 HydrophobicContact CB-CE1 4.24Å; L151-F173 HydrophobicContact CD2-CD1 3.51Å; L151-F173 HydrophobicContact CD2-CE1 3.89Å; L151-F173 HydrophobicContact CD2-CG 4.44Å; L151-F173 HydrophobicContact CG-CD1 4.43Å; L151-F173 HydrophobicContact CG-CE1 4.41Å; L151-F177 HydrophobicContact CD1-CZ 4.48Å; L151-F177 HydrophobicContact CD2-CD2 4.43Å; L151-F177 HydrophobicContact CD2-CE2 3.73Å; L151-F177 HydrophobicContact CD2-CZ 4.07Å; L151-F177 HydrophobicContact CG-CE2 4.01Å; L151-F177 HydrophobicContact CG-CZ 3.88Å; L151-A245 HydrophobicContact CD1-CB 4.32Å; L151-L247 HydrophobicContact CB-CD1 4.24Å; L151-L247 HydrophobicContact CD2-CB 4.01Å; L151-L247 HydrophobicContact CD2-CD1 3.93Å; L151-L247 HydrophobicContact CD2-CD2 3.88Å; L151-L247 HydrophobicContact CD2-CG 4.14Å
152L96.1Very high96.4Very high4 Ų443.6 Ų43.62%0.02124%0.243CC..THydrogen-bonded Turntrans-67.1-8.4173.3-74172.4000114.3I46 P50 T51 L54 S148 G150 F173 M176I46-L152 WeakPolarHBondContact O-CD1 3.27Å; P50-L152 HydrophobicContact CB-CD1 4.25Å; P50-L152 HydrophobicContact CB-CD2 4.43Å; P50-L152 HydrophobicContact CG-CD1 4.01Å; T51-L152 HydrophobicContact CG2-CD1 4.28Å; T51-L152 HydrophobicContact CG2-CD2 3.98Å; L54-L152 HydrophobicContact CD1-CD2 3.72Å; S148-L152 VanDerWaalsContact O-CG 3.27Å; S148-L152 WeakPolarHBondContact O-CG 3.39Å; S148-L152 PolarHBondContact O-N 3.18Å; G150-L152 VanDerWaalsContact C-N 3.33Å; G150-L152 PolarHBondContact O-N 3.42Å; L152-F173 HydrophobicContact CD1-CZ 4.24Å; L152-F173 HydrophobicContact CD2-CE1 3.94Å; L152-F173 HydrophobicContact CD2-CZ 3.88Å; L152-F173 HydrophobicContact CG-CE1 4.02Å; L152-F173 HydrophobicContact CG-CZ 3.79Å; L152-M176 HydrophobicContact CD2-CE 4.44Å
153N95.3Very high96.5Very high86 Ų8642.9 Ų42.946%0.4624%0.238SC..THydrogen-bonded Turntrans-117.916.1-178.1-64-62.7000112.7T149 G150 L151T149-N153 PolarHBondContact O-ND2 3.46Å; G150-N153 PolarHBondContact O-N 3.25Å; L151-N153 PolarHBondContact O-N 3.18Å; L151-N153 VanDerWaalsContact O-N 3.16Å
154L96.4Very high96.6Very high19 Ų1939.5 Ų39.510%0.09922%0.216CC..  trans-58.9140.4170.3-72.1-173.9000110.8F64 Y146 L151 P158 F177 A245F64-L154 HydrophobicContact CE1-CB 4.38Å; F64-L154 HydrophobicContact CZ-CB 4.35Å; Y146-L154 HydrophobicContact CD2-CD2 4.38Å; Y146-L154 HydrophobicContact CE1-CD2 4.08Å; Y146-L154 HydrophobicContact CE2-CD2 3.83Å; L151-L154 HydrophobicContact CD1-CD1 3.55Å; L151-L154 HydrophobicContact CD1-CG 4.08Å; L151-L154 HydrophobicContact CG-CD1 4.26Å; L151-L154 WeakPolarHBondContact O-CG 3.14Å; L151-L154 PolarHBondContact O-N 2.86Å; L154-P158 HydrophobicContact CD1-CG 4.08Å; L154-F177 HydrophobicContact CD1-CE1 4.26Å; L154-F177 HydrophobicContact CD1-CZ 4.32Å; L154-A245 HydrophobicContact CD1-CB 4.47Å
155K93Very high96.6Very high179 Ų17939.1 Ų39.178%0.77821%0.212SC*.SBendtrans-84.9-26.3179.4-64.6-177.4-179.7178.50112.8
156E95.6Very high96.4Very high150 Ų15038 Ų3870%0.70121%0.205SC*.SBendtrans-137.3153.7-175.2-64.8177.6-175.600109F64F64-E156 VanDerWaalsContact CE1-C 3.44Å; F64-E156 WeakPolarHBondContact CE1-O 3.23Å
157L97.4Very high96.3Very high60 Ų6035.6 Ų35.631%0.31420%0.204SC..  trans-73.8123.4178.4-175.372.9000109.1F64 F177 F180 S182F64-L157 HydrophobicContact CB-CB 4.05Å; F64-L157 HydrophobicContact CB-CD1 4.36Å; F64-L157 HydrophobicContact CD1-CB 3.87Å; F64-L157 HydrophobicContact CD1-CD1 4.46Å; F64-L157 HydrophobicContact CD2-CB 4.42Å; F64-L157 HydrophobicContact CD2-CD1 3.57Å; F64-L157 HydrophobicContact CE1-CB 4.43Å; F64-L157 HydrophobicContact CE2-CD1 3.87Å; F64-L157 HydrophobicContact CG-CB 3.85Å; F64-L157 HydrophobicContact CG-CD1 3.89Å; F64-L157 HydrophobicContact CG-CG 4.45Å; F64-L157 HydrophobicContact CZ-CD1 4.44Å; L157-F177 HydrophobicContact CD1-CD1 3.88Å; L157-F177 HydrophobicContact CD1-CE1 4.22Å; L157-F180 HydrophobicContact CD1-CB 3.61Å; L157-F180 HydrophobicContact CD1-CG 4.41Å; L157-F180 HydrophobicContact CD2-CB 4.23Å; L157-F180 VanDerWaalsContact CD2-O 3.31Å; L157-F180 WeakPolarHBondContact CD2-O 3.3Å; L157-S182 VanDerWaalsContact CD1-OG 3.28Å; L157-S182 WeakPolarHBondContact CD1-OG 3.39Å; L157-S182 WeakPolarHBondContact CG-OG 3.46Å
158P97.1Very high96.2Very high10 Ų1035.9 Ų35.97%0.06520%0.202CC..  trans-67.3136.3173.828.1-31.7000109.7L154 H160 L161 F177 S182 D244 A245L154-P158 HydrophobicContact CD1-CG 4.08Å; P158-H160 VanDerWaalsContact C-N 3.33Å; P158-L161 HydrophobicContact CG-CB 4.29Å; P158-F177 HydrophobicContact CG-CD1 3.93Å; P158-F177 HydrophobicContact CG-CE1 3.83Å; P158-S182 WeakPolarHBondContact O-CB 3.22Å; P158-S182 PolarHBondContact O-OG 3.26Å; P158-D244 HydrophobicContact CB-CB 4.02Å; P158-A245 HydrophobicContact CB-CB 3.98Å; P158-A245 HydrophobicContact CG-CB 4.3Å
159G96.7Very high96.1Very high49 Ų4937.7 Ų37.751%0.50521%0.21SC..SBendtrans-65.2-39.8175.800000111.6K183 D244G159-K183 PolarHBondContact O-N 2.93Å; G159-D244 WeakPolarHBondContact CA-OD2 3.27Å; G159-D244 PolarHBondContact N-OD2 2.82Å
160H97.8Very high96.2Very high22 Ų2235.7 Ų35.710%0.10220%0.198CC..EExtended strand (participates in β ladder)trans-131.4119.3173.2-163.7169.8000111P158 K183 T185 A242 V243 D244 A245P158-H160 VanDerWaalsContact C-N 3.33Å; H160-K183 CarbonylContact C-O 3.59Å; H160-K183 VanDerWaalsContact CA-O 3.3Å; H160-K183 WeakPolarHBondContact CA-O 3.43Å; H160-K183 HydrophobicContact CB-CB 4.43Å; H160-K183 PolarHBondContact CD2-O 3.28Å; H160-K183 VanDerWaalsContact CD2-O 3.32Å; H160-T185 PolarHBondContact NE2-OG1 3.09Å; H160-A242 PolarHBondContact ND1-O 2.98Å; H160-V243 WeakPolarHBondContact O-CB 3.36Å; H160-D244 PolarHBondContact N-OD2 3.03Å; H160-D244 PolarHBondContact O-N 3.22Å; H160-A245 PolarHBondContact O-N 3.05Å
161L98.4Very high96.3Very high0 Ų034.7 Ų34.70%019%0.187CC..EExtended strand (participates in β ladder)trans-101.4122.8173.217764.8000110.8L151 P158 I163 F177 K183 V184 T185 A245 L247L151-L161 HydrophobicContact CD1-CD1 3.95Å; L151-L161 HydrophobicContact CD2-CD1 4.08Å; L151-L161 HydrophobicContact CD2-CD2 4.16Å; P158-L161 HydrophobicContact CG-CB 4.29Å; L161-I163 HydrophobicContact CD2-CD1 4.12Å; L161-I163 HydrophobicContact CD2-CG1 4.17Å; L161-I163 HydrophobicContact CG-CD1 4.49Å; L161-I163 HydrophobicContact CG-CG1 4.05Å; L161-F177 HydrophobicContact CD2-CB 3.75Å; L161-F177 HydrophobicContact CD2-CD1 4.05Å; L161-F177 HydrophobicContact CD2-CD2 3.72Å; L161-F177 HydrophobicContact CD2-CE2 4.33Å; L161-F177 HydrophobicContact CD2-CG 3.56Å; L161-K183 PolarHBondContact N-O 3.37Å; L161-V184 HydrophobicContact CB-CG2 4.42Å; L161-V184 CarbonylContact O-C 3.12Å; L161-V184 WeakPolarHBondContact O-CA 3.3Å; L161-T185 PolarHBondContact O-N 2.96Å; L161-A245 HydrophobicContact CD1-CB 4.01Å; L161-L247 HydrophobicContact CD1-CB 4.49Å
162G97.8Very high96.3Very high0 Ų036.3 Ų36.30%020%0.195CC..EExtended strand (participates in β ladder)trans-90.4146165.200000111.1T185 A245 L246 L247G162-T185 CarbonylContact C-O 3.44Å; G162-T185 WeakPolarHBondContact CA-O 3.45Å; G162-A245 PolarHBondContact N-O 3.2Å; G162-L246 CarbonylContact O-C 3.58Å; G162-L246 WeakPolarHBondContact O-CA 3.24Å; G162-L247 PolarHBondContact O-N 2.65Å
163I98.1Very high96.4Very high0 Ų036.4 Ų36.40%020%0.195CC..EExtended strand (participates in β ladder)trans-132.4123.5177-57.9-179.8000109.6L161 F173 A174 V184 T185 I186 L187 L247 A249L161-I163 HydrophobicContact CD2-CD1 4.12Å; L161-I163 HydrophobicContact CD2-CG1 4.17Å; L161-I163 HydrophobicContact CG-CD1 4.49Å; L161-I163 HydrophobicContact CG-CG1 4.05Å; I163-F173 HydrophobicContact CD1-CB 4.37Å; I163-A174 HydrophobicContact CD1-CB 3.8Å; I163-V184 HydrophobicContact CD1-CG1 3.72Å; I163-V184 HydrophobicContact CG1-CG1 4.22Å; I163-T185 PolarHBondContact N-O 2.65Å; I163-I186 HydrophobicContact CB-CG1 4.31Å; I163-I186 HydrophobicContact CD1-CG1 4.39Å; I163-L187 PolarHBondContact O-N 3.45Å; I163-L247 HydrophobicContact CB-CB 4.44Å; I163-L247 HydrophobicContact CD1-CD2 4.38Å; I163-L247 HydrophobicContact CG1-CB 4.09Å; I163-L247 HydrophobicContact CG1-CD2 4.27Å; I163-L247 HydrophobicContact CG2-CB 4.38Å; I163-L247 HydrophobicContact CG2-CD2 4.14Å; I163-L247 HydrophobicContact CG2-CG 4.45Å; I163-A249 HydrophobicContact CG2-CB 3.91Å
164L96.7Very high96.5Very high11 Ų1132.3 Ų32.36%0.05817%0.173CC..EExtended strand (participates in β ladder)trans-90.6102.3172.4-57.1-175.5000109.9I136 I139 L187 V222 I225 L246 L247 A249 S250I136-L164 HydrophobicContact CD1-CD1 4.37Å; I139-L164 HydrophobicContact CD1-CD1 4.1Å; L164-L187 HydrophobicContact CD2-CB 4.1Å; L164-L187 HydrophobicContact CD2-CD1 3.76Å; L164-V222 HydrophobicContact CD2-CG2 3.79Å; L164-I225 HydrophobicContact CD1-CD1 4.15Å; L164-L246 HydrophobicContact CD1-CD2 4.12Å; L164-L246 HydrophobicContact CD1-CG 4.47Å; L164-L246 HydrophobicContact CD2-CD1 4.08Å; L164-L246 HydrophobicContact CG-CD1 3.97Å; L164-L246 HydrophobicContact CG-CD2 4.34Å; L164-L246 HydrophobicContact CG-CG 4.26Å; L164-L247 PolarHBondContact N-O 3.28Å; L164-A249 CarbonylContact O-C 3.44Å; L164-A249 WeakPolarHBondContact O-CA 3.17Å; L164-A249 WeakPolarHBondContact O-CB 3.14Å; L164-A249 PolarHBondContact O-N 2.91Å; L164-S250 PolarHBondContact O-N 3.45Å
165G95.7Very high96.5Very high8 Ų831.4 Ų31.48%0.08217%0.169CC..  trans114.4124.5179.200000113.4L187G165-L187 PolarHBondContact N-O 3.23Å
166G94.4Very high96.7Very high0 Ų023.1 Ų23.10%013%0.132CC..  trans-95.729.4177.600000113.7E188G166-E188 WeakPolarHBondContact CA-OE2 3.26Å; G166-E188 PolarHBondContact N-OE2 2.89Å
167G94.7Very high96.8Very high27 Ų2716.1 Ų16.128%0.27810%0.1SC..SBendtrans-83.4-174.9171.200000113I169 G170 V171G167-I169 VanDerWaalsContact C-N 3.35Å; G167-I169 PolarHBondContact O-N 3.46Å; G167-G170 PolarHBondContact O-N 3.4Å; G167-G170 VanDerWaalsContact O-N 3.08Å; G167-V171 WeakPolarHBondContact O-CG2 3.42Å; G167-V171 PolarHBondContact O-N 3.19Å
168Y95Very high96.8Very high55 Ų5513.9 Ų13.922%0.2169%0.09CC..Hα-helixtrans-54.9-44.3-176.3-55.5-40.9000113.9G170 V171 E172 L194 E197 Y330 V332Y168-G170 PolarHBondContact O-N 3.39Å; Y168-V171 PolarHBondContact O-N 2.88Å; Y168-E172 WeakPolarHBondContact O-CG 3.14Å; Y168-E172 PolarHBondContact O-N 3.37Å; Y168-L194 HydrophobicContact CD1-CD2 3.66Å; Y168-L194 HydrophobicContact CE1-CD2 3.83Å; Y168-E197 HydrophobicContact CE1-CG 4.37Å; Y168-E197 WeakPolarHBondContact CE1-OE1 3.49Å; Y168-E197 VanDerWaalsContact CZ-OE1 3.22Å; Y168-E197 PolarHBondContact OH-OE1 3.34Å; Y168-Y330 HydrophobicContact CE1-CE2 4.45Å; Y168-Y330 PolarHBondContact OH-OH 3.38Å; Y168-V332 HydrophobicContact CD1-CG1 4.46Å; Y168-V332 HydrophobicContact CD1-CG2 3.49Å; Y168-V332 VanDerWaalsContact CD1-CG2 3.49Å; Y168-V332 HydrophobicContact CE1-CG2 3.97Å; Y168-V332 HydrophobicContact CG-CG2 3.9Å
169I95.4Very high96.7Very high47 Ų4715.7 Ų15.724%0.24110%0.099CC..Hα-helixtrans-61.4-46.8178.1-61.6173.5000110.3G167 V171 E172 F173 A249 R252G167-I169 VanDerWaalsContact C-N 3.35Å; G167-I169 PolarHBondContact O-N 3.46Å; I169-V171 VanDerWaalsContact C-N 3.32Å; I169-V171 PolarHBondContact O-N 3Å; I169-E172 PolarHBondContact O-N 3.07Å; I169-F173 HydrophobicContact CG2-CD2 4Å; I169-F173 HydrophobicContact CG2-CE2 4.13Å; I169-F173 VanDerWaalsContact O-CD2 3.29Å; I169-F173 WeakPolarHBondContact O-CD2 3.42Å; I169-F173 PolarHBondContact O-N 3.02Å; I169-F173 VanDerWaalsContact O-N 3.11Å; I169-A249 HydrophobicContact CB-CB 4.4Å; I169-A249 HydrophobicContact CG2-CB 4.18Å; I169-R252 HydrophobicContact CD1-CG 3.99Å
170G96.8Very high96.7Very high0 Ų014.7 Ų14.70%08%0.081CC..Hα-helixtrans-60.2-42.4178.300000112.1G167 Y168 A174G167-G170 PolarHBondContact O-N 3.4Å; G167-G170 VanDerWaalsContact O-N 3.08Å; Y168-G170 PolarHBondContact O-N 3.39Å; G170-A174 WeakPolarHBondContact O-CB 3.49Å; G170-A174 PolarHBondContact O-N 2.63Å
171V97.1Very high96.6Very high1 Ų116.6 Ų16.61%0.00611%0.106CC..Hα-helixtrans-66.2-44.3178.71700000112.9G167 Y168 I169 F173 A174 S175 F193 L194 I205 L209 V332 M334G167-V171 WeakPolarHBondContact O-CG2 3.42Å; G167-V171 PolarHBondContact O-N 3.19Å; Y168-V171 PolarHBondContact O-N 2.88Å; I169-V171 VanDerWaalsContact C-N 3.32Å; I169-V171 PolarHBondContact O-N 3Å; V171-F173 PolarHBondContact O-N 3.04Å; V171-A174 PolarHBondContact O-N 3.24Å; V171-S175 PolarHBondContact O-N 3.27Å; V171-F193 HydrophobicContact CG2-CE2 3.66Å; V171-F193 HydrophobicContact CG2-CZ 3.48Å; V171-F193 VanDerWaalsContact CG2-CZ 3.48Å; V171-L194 HydrophobicContact CG2-CD1 4.33Å; V171-L194 HydrophobicContact CG2-CD2 4.05Å; V171-L194 HydrophobicContact CG2-CG 4.29Å; V171-I205 HydrophobicContact CG1-CG2 4.38Å; V171-L209 HydrophobicContact CG1-CD1 4.17Å; V171-L209 HydrophobicContact CG2-CD1 4.25Å; V171-V332 HydrophobicContact CG1-CG1 4.18Å; V171-M334 HydrophobicContact CG1-CB 4.21Å; V171-M334 HydrophobicContact CG1-CG 4.25Å; V171-M334 HydrophobicContact CG1-SD 3.57Å; V171-M334 VanDerWaalsContact CG1-SD 3.57Å
172E96.9Very high96.5Very high34 Ų3416.9 Ų16.916%0.15911%0.108CC..Hα-helixtrans-60-47.6176.8-71.8-171.3179.500111.1Y168 I169 M176 V332 F333Y168-E172 WeakPolarHBondContact O-CG 3.14Å; Y168-E172 PolarHBondContact O-N 3.37Å; I169-E172 PolarHBondContact O-N 3.07Å; E172-M176 VanDerWaalsContact O-CB 3.22Å; E172-M176 WeakPolarHBondContact O-CB 3.35Å; E172-M176 PolarHBondContact O-N 3.29Å; E172-V332 HydrophobicContact CG-CG1 3.58Å; E172-V332 WeakPolarHBondContact OE1-CA 3.32Å; E172-F333 HydrophobicContact CG-CB 4.26Å; E172-F333 PolarHBondContact OE1-N 3.03Å
173F97.6Very high96.6Very high6 Ų622 Ų223%0.02613%0.13CC..Hα-helixtrans-69.3-36.4179.3-83.7-97.8000112.4T51 L151 L152 I163 I169 V171 M176 F177 L247T51-F173 HydrophobicContact CG2-CE2 4.14Å; T51-F173 HydrophobicContact CG2-CZ 4.18Å; L151-F173 HydrophobicContact CB-CE1 4.24Å; L151-F173 HydrophobicContact CD2-CD1 3.51Å; L151-F173 HydrophobicContact CD2-CE1 3.89Å; L151-F173 HydrophobicContact CD2-CG 4.44Å; L151-F173 HydrophobicContact CG-CD1 4.43Å; L151-F173 HydrophobicContact CG-CE1 4.41Å; L152-F173 HydrophobicContact CD1-CZ 4.24Å; L152-F173 HydrophobicContact CD2-CE1 3.94Å; L152-F173 HydrophobicContact CD2-CZ 3.88Å; L152-F173 HydrophobicContact CG-CE1 4.02Å; L152-F173 HydrophobicContact CG-CZ 3.79Å; I163-F173 HydrophobicContact CD1-CB 4.37Å; I169-F173 HydrophobicContact CG2-CD2 4Å; I169-F173 HydrophobicContact CG2-CE2 4.13Å; I169-F173 VanDerWaalsContact O-CD2 3.29Å; I169-F173 WeakPolarHBondContact O-CD2 3.42Å; I169-F173 PolarHBondContact O-N 3.02Å; I169-F173 VanDerWaalsContact O-N 3.11Å; V171-F173 PolarHBondContact O-N 3.04Å; F173-M176 HydrophobicContact CD1-CE 3.41Å; F173-M176 VanDerWaalsContact CD1-CE 3.41Å; F173-M176 HydrophobicContact CE1-CE 3.62Å; F173-M176 HydrophobicContact CG-CE 4.02Å; F173-M176 HydrophobicContact CZ-CE 4.37Å; F173-M176 PolarHBondContact O-N 3.48Å; F173-F177 HydrophobicContact CD1-CD2 4.2Å; F173-F177 AromaticContact CD1-CE2 3.81Å; F173-F177 HydrophobicContact CD1-CE2 3.81Å; F173-F177 HydrophobicContact CE1-CE2 4.36Å; F173-F177 WeakPolarHBondContact O-CB 3.47Å; F173-F177 WeakPolarHBondContact O-CD2 3.48Å; F173-F177 PolarHBondContact O-N 3.22Å; F173-L247 HydrophobicContact CB-CD2 3.64Å; F173-L247 HydrophobicContact CD1-CD2 4.1Å; F173-L247 HydrophobicContact CD2-CD2 4.27Å; F173-L247 HydrophobicContact CG-CD2 3.74Å
174A98.1Very high96.6Very high0 Ų022 Ų220%013%0.13CC..Hα-helixtrans-61.4-51.4176.100000111.7I163 G170 V171 M176 A178 V184 I186 V214I163-A174 HydrophobicContact CD1-CB 3.8Å; G170-A174 WeakPolarHBondContact O-CB 3.49Å; G170-A174 PolarHBondContact O-N 2.63Å; V171-A174 PolarHBondContact O-N 3.24Å; A174-M176 VanDerWaalsContact C-N 3.33Å; A174-M176 PolarHBondContact O-N 2.74Å; A174-A178 WeakPolarHBondContact O-CB 3.14Å; A174-A178 PolarHBondContact O-N 3.39Å; A174-V184 HydrophobicContact CB-CG1 3.92Å; A174-I186 HydrophobicContact CB-CD1 3.72Å; A174-I186 HydrophobicContact CB-CG1 4.16Å; A174-V214 HydrophobicContact CB-CG1 4.09Å; A174-V214 HydrophobicContact CB-CG2 4.37Å
175S96.9Very high96.6Very high1 Ų121.5 Ų21.51%0.00713%0.128CC..Hα-helixtrans-64-39.7178-168.10000111.4V171 N179 Q212 T335V171-S175 PolarHBondContact O-N 3.27Å; S175-N179 WeakPolarHBondContact O-CB 3.2Å; S175-N179 VanDerWaalsContact O-CG 3.31Å; S175-N179 PolarHBondContact O-N 3.22Å; S175-N179 PolarHBondContact O-ND2 2.87Å; S175-N179 PolarHBondContact OG-ND2 2.8Å; S175-Q212 PolarHBondContact OG-OE1 3.24Å; S175-T335 PolarHBondContact OG-N 3.12Å; S175-T335 VanDerWaalsContact OG-N 3.14Å
176M96.5Very high96.7Very high4 Ų421.1 Ų21.12%0.0212%0.124CC..Hα-helixtrans-61.5-52.3178.2-178.2175.663.500112.4L54 V55 L152 E172 F173 A174 N179 F180L54-M176 HydrophobicContact CB-CG 4.3Å; L54-M176 HydrophobicContact CB-SD 3.44Å; L54-M176 WeakPolarHBondContact CB-SD 3.17Å; L54-M176 HydrophobicContact CD1-CE 4.45Å; L54-M176 HydrophobicContact CD1-SD 3.99Å; L54-M176 HydrophobicContact CG-SD 4.39Å; V55-M176 HydrophobicContact CG2-CB 4.09Å; V55-M176 HydrophobicContact CG2-CG 4.09Å; V55-M176 HydrophobicContact CG2-SD 4.18Å; L152-M176 HydrophobicContact CD2-CE 4.44Å; E172-M176 VanDerWaalsContact O-CB 3.22Å; E172-M176 WeakPolarHBondContact O-CB 3.35Å; E172-M176 PolarHBondContact O-N 3.29Å; F173-M176 HydrophobicContact CD1-CE 3.41Å; F173-M176 VanDerWaalsContact CD1-CE 3.41Å; F173-M176 HydrophobicContact CE1-CE 3.62Å; F173-M176 HydrophobicContact CG-CE 4.02Å; F173-M176 HydrophobicContact CZ-CE 4.37Å; F173-M176 PolarHBondContact O-N 3.48Å; A174-M176 VanDerWaalsContact C-N 3.33Å; A174-M176 PolarHBondContact O-N 2.74Å; M176-N179 PolarHBondContact O-N 2.8Å; M176-F180 HydrophobicContact CG-CD2 4.24Å; M176-F180 HydrophobicContact CG-CE2 4.02Å; M176-F180 VanDerWaalsContact O-CD2 3.28Å; M176-F180 WeakPolarHBondContact O-CD2 3.41Å; M176-F180 PolarHBondContact O-N 3.43Å
177F97.6Very high96.8Very high3 Ų321.3 Ų21.31%0.01313%0.125CC..Hα-helixtrans-72-34.7-178-85.5-94.4000112.7F64 L151 L154 L157 P158 L161 F173 N179 F180 G181 S182 V184F64-F177 AromaticContact CE2-CE1 3.93Å; F64-F177 HydrophobicContact CE2-CE1 3.93Å; F64-F177 HydrophobicContact CE2-CZ 4.24Å; F64-F177 AromaticContact CZ-CE1 3.99Å; F64-F177 HydrophobicContact CZ-CE1 3.99Å; F64-F177 HydrophobicContact CZ-CZ 4.25Å; L151-F177 HydrophobicContact CD1-CZ 4.48Å; L151-F177 HydrophobicContact CD2-CD2 4.43Å; L151-F177 HydrophobicContact CD2-CE2 3.73Å; L151-F177 HydrophobicContact CD2-CZ 4.07Å; L151-F177 HydrophobicContact CG-CE2 4.01Å; L151-F177 HydrophobicContact CG-CZ 3.88Å; L154-F177 HydrophobicContact CD1-CE1 4.26Å; L154-F177 HydrophobicContact CD1-CZ 4.32Å; L157-F177 HydrophobicContact CD1-CD1 3.88Å; L157-F177 HydrophobicContact CD1-CE1 4.22Å; P158-F177 HydrophobicContact CG-CD1 3.93Å; P158-F177 HydrophobicContact CG-CE1 3.83Å; L161-F177 HydrophobicContact CD2-CB 3.75Å; L161-F177 HydrophobicContact CD2-CD1 4.05Å; L161-F177 HydrophobicContact CD2-CD2 3.72Å; L161-F177 HydrophobicContact CD2-CE2 4.33Å; L161-F177 HydrophobicContact CD2-CG 3.56Å; F173-F177 HydrophobicContact CD1-CD2 4.2Å; F173-F177 AromaticContact CD1-CE2 3.81Å; F173-F177 HydrophobicContact CD1-CE2 3.81Å; F173-F177 HydrophobicContact CE1-CE2 4.36Å; F173-F177 WeakPolarHBondContact O-CB 3.47Å; F173-F177 WeakPolarHBondContact O-CD2 3.48Å; F173-F177 PolarHBondContact O-N 3.22Å; F177-N179 VanDerWaalsContact C-N 3.33Å; F177-N179 PolarHBondContact O-N 2.95Å; F177-F180 PolarHBondContact O-N 3.23Å; F177-G181 PolarHBondContact O-N 3.48Å; F177-G181 VanDerWaalsContact O-N 3.11Å; F177-S182 WeakPolarHBondContact O-CB 3.28Å; F177-S182 PolarHBondContact O-N 3.1Å; F177-V184 HydrophobicContact CB-CG2 4.12Å
178A97.2Very high96.8Very high13 Ų1321.5 Ų21.511%0.10712%0.119CC..Hα-helixtrans-60.9-41.8171.900000111.8A174 F180 G181 V184 Q212 V214A174-A178 WeakPolarHBondContact O-CB 3.14Å; A174-A178 PolarHBondContact O-N 3.39Å; A178-F180 VanDerWaalsContact C-N 3.28Å; A178-F180 PolarHBondContact O-N 3.43Å; A178-G181 WeakPolarHBondContact O-CA 3.27Å; A178-G181 PolarHBondContact O-N 2.92Å; A178-V184 HydrophobicContact CB-CG2 4.21Å; A178-Q212 HydrophobicContact CB-CB 4.23Å; A178-V214 HydrophobicContact CB-CG2 3.8Å
179N95.2Very high96.7Very high49 Ų4921.1 Ų21.126%0.26213%0.127SC..Hα-helixtrans-68.2-24.7176.2-76-51.7000113.6A58 S175 M176 F177 G181A58-N179 HydrophobicContact CB-CB 3.83Å; S175-N179 WeakPolarHBondContact O-CB 3.2Å; S175-N179 VanDerWaalsContact O-CG 3.31Å; S175-N179 PolarHBondContact O-N 3.22Å; S175-N179 PolarHBondContact O-ND2 2.87Å; S175-N179 PolarHBondContact OG-ND2 2.8Å; M176-N179 PolarHBondContact O-N 2.8Å; F177-N179 VanDerWaalsContact C-N 3.33Å; F177-N179 PolarHBondContact O-N 2.95Å; N179-G181 VanDerWaalsContact C-N 3.31Å
180F96.5Very high96.6Very high28 Ų2820.8 Ų20.812%0.12313%0.131CC..Hα-helixtrans-78.9-13.6168.4-78.9-64.1000113.5L54 D57 A58 F64 A67 L157 M176 F177 A178L54-F180 HydrophobicContact CB-CE2 4.16Å; L54-F180 HydrophobicContact CB-CZ 4.41Å; L54-F180 HydrophobicContact CD2-CZ 4.36Å; L54-F180 VanDerWaalsContact O-CZ 3.32Å; L54-F180 WeakPolarHBondContact O-CZ 3.24Å; D57-F180 HydrophobicContact CB-CZ 4.43Å; A58-F180 HydrophobicContact CB-CD1 4.05Å; A58-F180 HydrophobicContact CB-CD2 3.83Å; A58-F180 HydrophobicContact CB-CE1 3.89Å; A58-F180 HydrophobicContact CB-CE2 3.66Å; A58-F180 HydrophobicContact CB-CG 4.02Å; A58-F180 HydrophobicContact CB-CZ 3.69Å; F64-F180 HydrophobicContact CB-CD1 4.28Å; F64-F180 HydrophobicContact CD2-CB 4.32Å; F64-F180 HydrophobicContact CD2-CD1 4.02Å; F64-F180 AromaticContact CD2-CD2 3.81Å; F64-F180 HydrophobicContact CD2-CD2 3.81Å; F64-F180 HydrophobicContact CD2-CE1 4.25Å; F64-F180 HydrophobicContact CD2-CE2 4.04Å; F64-F180 AromaticContact CD2-CG 3.81Å; F64-F180 HydrophobicContact CD2-CG 3.81Å; F64-F180 HydrophobicContact CD2-CZ 4.26Å; F64-F180 HydrophobicContact CE2-CD2 4.17Å; F64-F180 HydrophobicContact CE2-CE2 4.33Å; A67-F180 HydrophobicContact CB-CE1 3.88Å; A67-F180 HydrophobicContact CB-CZ 3.79Å; L157-F180 HydrophobicContact CD1-CB 3.61Å; L157-F180 HydrophobicContact CD1-CG 4.41Å; L157-F180 HydrophobicContact CD2-CB 4.23Å; L157-F180 VanDerWaalsContact CD2-O 3.31Å; L157-F180 WeakPolarHBondContact CD2-O 3.3Å; M176-F180 HydrophobicContact CG-CD2 4.24Å; M176-F180 HydrophobicContact CG-CE2 4.02Å; M176-F180 VanDerWaalsContact O-CD2 3.28Å; M176-F180 WeakPolarHBondContact O-CD2 3.41Å; M176-F180 PolarHBondContact O-N 3.43Å; F177-F180 PolarHBondContact O-N 3.23Å; A178-F180 VanDerWaalsContact C-N 3.28Å; A178-F180 PolarHBondContact O-N 3.43Å
181G95.5Very high96.3Very high61 Ų6124.4 Ų24.463%0.62916%0.156SC*.THydrogen-bonded Turntrans107.37.1176.500000115.8F177 A178 N179F177-G181 PolarHBondContact O-N 3.48Å; F177-G181 VanDerWaalsContact O-N 3.11Å; A178-G181 WeakPolarHBondContact O-CA 3.27Å; A178-G181 PolarHBondContact O-N 2.92Å; N179-G181 VanDerWaalsContact C-N 3.31Å
182S97.7Very high96.1Very high7 Ų728.3 Ų28.35%0.04918%0.177CC..  trans-69.8141.6171.7-63.80000110.9L157 P158 F177L157-S182 VanDerWaalsContact CD1-OG 3.28Å; L157-S182 WeakPolarHBondContact CD1-OG 3.39Å; L157-S182 WeakPolarHBondContact CG-OG 3.46Å; P158-S182 WeakPolarHBondContact O-CB 3.22Å; P158-S182 PolarHBondContact O-OG 3.26Å; F177-S182 WeakPolarHBondContact O-CB 3.28Å; F177-S182 PolarHBondContact O-N 3.1Å
183K98Very high96Very high106 Ų10627.3 Ų27.346%0.46117%0.172SC..EExtended strand (participates in β ladder)trans-67.2133.5157.7-177178.4178.4-177.40108.1G159 H160 L161G159-K183 PolarHBondContact O-N 2.93Å; H160-K183 CarbonylContact C-O 3.59Å; H160-K183 VanDerWaalsContact CA-O 3.3Å; H160-K183 WeakPolarHBondContact CA-O 3.43Å; H160-K183 HydrophobicContact CB-CB 4.43Å; H160-K183 PolarHBondContact CD2-O 3.28Å; H160-K183 VanDerWaalsContact CD2-O 3.32Å; L161-K183 PolarHBondContact N-O 3.37Å
184V98.5Very high95.8Very high0 Ų027.1 Ų27.10%017%0.172CC..EExtended strand (participates in β ladder)trans-125.3136.8-179.1-174.70000110.6L161 I163 A174 F177 A178 V214 D215L161-V184 HydrophobicContact CB-CG2 4.42Å; L161-V184 CarbonylContact O-C 3.12Å; L161-V184 WeakPolarHBondContact O-CA 3.3Å; I163-V184 HydrophobicContact CD1-CG1 3.72Å; I163-V184 HydrophobicContact CG1-CG1 4.22Å; A174-V184 HydrophobicContact CB-CG1 3.92Å; F177-V184 HydrophobicContact CB-CG2 4.12Å; A178-V184 HydrophobicContact CB-CG2 4.21Å; V184-V214 HydrophobicContact CB-CG1 4.17Å; V184-V214 HydrophobicContact CB-CG2 4.17Å; V184-V214 HydrophobicContact CG1-CG1 4.09Å; V184-V214 WeakPolarHBondContact O-CA 3.4Å; V184-D215 PolarHBondContact O-N 3.43Å
185T98.1Very high95.4Very high2 Ų230.7 Ų30.71%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-128.2120.3171.6-54.90000110.5H160 L161 G162 I163 D215 I217 L241H160-T185 PolarHBondContact NE2-OG1 3.09Å; L161-T185 PolarHBondContact O-N 2.96Å; G162-T185 CarbonylContact C-O 3.44Å; G162-T185 WeakPolarHBondContact CA-O 3.45Å; I163-T185 PolarHBondContact N-O 2.65Å; T185-D215 CarbonylContact C-O 3.59Å; T185-D215 WeakPolarHBondContact CA-O 3.23Å; T185-D215 HydrophobicContact CG2-CB 4.06Å; T185-I217 HydrophobicContact CG2-CD1 3.77Å; T185-I217 HydrophobicContact CG2-CG1 4.19Å; T185-L241 HydrophobicContact CG2-CD1 4.36Å; T185-L241 HydrophobicContact CG2-CD2 3.9Å
186I97.8Very high95Very high0 Ų038.7 Ų38.70%023%0.225CC..EExtended strand (participates in β ladder)trans-93.1125.1173.2-57.2178.2000108.9I163 A174 V214 D215 I216 I217I163-I186 HydrophobicContact CB-CG1 4.31Å; I163-I186 HydrophobicContact CD1-CG1 4.39Å; A174-I186 HydrophobicContact CB-CD1 3.72Å; A174-I186 HydrophobicContact CB-CG1 4.16Å; I186-V214 HydrophobicContact CD1-CG1 3.96Å; I186-V214 HydrophobicContact CG1-CG1 3.98Å; I186-D215 PolarHBondContact N-O 3.19Å; I186-I216 HydrophobicContact CD1-CG1 4.4Å; I186-I217 PolarHBondContact O-N 2.96Å
187L96.3Very high94.7Very high4 Ų438.8 Ų38.82%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-105.4108.4171.7-62.8163.5000107.8I163 L164 G165 I217 A220 V222 V234 L241I163-L187 PolarHBondContact O-N 3.45Å; L164-L187 HydrophobicContact CD2-CB 4.1Å; L164-L187 HydrophobicContact CD2-CD1 3.76Å; G165-L187 PolarHBondContact N-O 3.23Å; L187-I217 HydrophobicContact CD2-CB 4.12Å; L187-I217 HydrophobicContact CD2-CD1 3.96Å; L187-I217 HydrophobicContact CD2-CG2 4.47Å; L187-A220 HydrophobicContact CB-CB 4.02Å; L187-A220 HydrophobicContact CD2-CB 3.78Å; L187-V222 HydrophobicContact CD1-CG2 4.17Å; L187-V234 HydrophobicContact CD1-CB 4.41Å; L187-V234 HydrophobicContact CD1-CG1 3.7Å; L187-L241 HydrophobicContact CD1-CD2 4.14Å
188E94.9Very high94Very high30 Ų3040.1 Ų40.114%0.1423%0.232CC..  trans-108.4124.9176.2175.253.1-100.100109.2G166 A190 I217 L218 N219 A220G166-E188 WeakPolarHBondContact CA-OE2 3.26Å; G166-E188 PolarHBondContact N-OE2 2.89Å; E188-A190 VanDerWaalsContact C-N 3.31Å; E188-A190 HydrophobicContact CG-CB 4.05Å; E188-A190 WeakPolarHBondContact OE1-CB 3.24Å; E188-A190 PolarHBondContact OE1-N 2.9Å; E188-I217 PolarHBondContact N-O 3.01Å; E188-L218 HydrophobicContact CB-CD2 3.79Å; E188-L218 HydrophobicContact CG-CD2 4.04Å; E188-L218 CarbonylContact O-C 3.53Å; E188-L218 WeakPolarHBondContact O-CA 3.22Å; E188-N219 PolarHBondContact O-N 3.21Å; E188-A220 PolarHBondContact O-N 3.29Å
189A92.7Very high93.5Very high47 Ų4743.4 Ų43.439%0.38824%0.242SC..SBendtrans-73-27.5179.900000111.8
190A92.2Very high92.7Very high40 Ų4044.3 Ų44.333%0.33125%0.247SC..SBendtrans-74.3160.3175.200000112.5E188 L192 N219E188-A190 VanDerWaalsContact C-N 3.31Å; E188-A190 HydrophobicContact CG-CB 4.05Å; E188-A190 WeakPolarHBondContact OE1-CB 3.24Å; E188-A190 PolarHBondContact OE1-N 2.9Å; A190-L192 VanDerWaalsContact C-N 3.26Å; A190-L192 PolarHBondContact O-N 3.37Å; A190-N219 PolarHBondContact O-N 3.36Å; A190-N219 VanDerWaalsContact O-N 3.07Å
191S92Very high92.2Very high76 Ų7644.1 Ų44.153%0.53125%0.247SC..SBendtrans-76.4-13.1173.458.20000113.6L218 N219S191-L218 WeakPolarHBondContact O-CD1 3.49Å; S191-N219 VanDerWaalsContact CA-OD1 3.3Å; S191-N219 WeakPolarHBondContact CA-OD1 3.27Å; S191-N219 WeakPolarHBondContact CB-OD1 3.47Å
192L92.1Very high91.9Very high84 Ų8441.2 Ų41.244%0.4422%0.217SC..SBendtrans-120.8129.9-176.8-65.9178.2000111.1A190 P195A190-L192 VanDerWaalsContact C-N 3.26Å; A190-L192 PolarHBondContact O-N 3.37Å; L192-P195 HydrophobicContact CB-CB 4.3Å
193F94.4Very high91.4Very high13 Ų1345.8 Ų45.86%0.05724%0.241CC..SBendtrans-76.2140.7166-179.2-117.2000110.5V171 R199 I205 A206 L209 I216 L218V171-F193 HydrophobicContact CG2-CE2 3.66Å; V171-F193 HydrophobicContact CG2-CZ 3.48Å; V171-F193 VanDerWaalsContact CG2-CZ 3.48Å; F193-R199 PolarHBondContact O-NH1 3.02Å; F193-I205 HydrophobicContact CE1-CB 4.27Å; F193-I205 HydrophobicContact CE1-CG2 3.87Å; F193-I205 HydrophobicContact CZ-CG2 4.18Å; F193-A206 HydrophobicContact CD1-CB 3.88Å; F193-A206 HydrophobicContact CE1-CB 3.96Å; F193-L209 HydrophobicContact CE1-CD1 4.42Å; F193-L209 HydrophobicContact CZ-CD1 3.7Å; F193-I216 HydrophobicContact CD2-CG2 4.3Å; F193-I216 HydrophobicContact CE1-CD1 4.47Å; F193-I216 HydrophobicContact CE2-CD1 4.29Å; F193-I216 HydrophobicContact CZ-CD1 4.22Å; F193-L218 HydrophobicContact CB-CD2 4.13Å
194L93.6Very high90.9Very high2 Ų244.3 Ų44.31%0.0124%0.238CC..SBendtrans40.161.9-178.2-70.9176000112.8Y168 V171 R196 E197 R199 A202 I205 L338Y168-L194 HydrophobicContact CD1-CD2 3.66Å; Y168-L194 HydrophobicContact CE1-CD2 3.83Å; V171-L194 HydrophobicContact CG2-CD1 4.33Å; V171-L194 HydrophobicContact CG2-CD2 4.05Å; V171-L194 HydrophobicContact CG2-CG 4.29Å; L194-R196 PolarHBondContact O-N 3.24Å; L194-E197 HydrophobicContact CB-CB 4.44Å; L194-E197 HydrophobicContact CB-CG 4.05Å; L194-E197 HydrophobicContact CD1-CG 4.42Å; L194-E197 PolarHBondContact O-N 2.87Å; L194-R199 PolarHBondContact O-NH2 2.88Å; L194-A202 HydrophobicContact CB-CB 4.21Å; L194-I205 HydrophobicContact CD1-CB 4.22Å; L194-I205 HydrophobicContact CD1-CG2 3.8Å; L194-L338 HydrophobicContact CD1-CD2 4.47Å
195P89.3Confident90.6Very high74 Ų7444.9 Ų44.948%0.48124%0.241SC..THydrogen-bonded Turntrans-63-10.6-169.425.6-36.1000114.7L192L192-P195 HydrophobicContact CB-CB 4.3Å
196R89Confident90.3Very high170 Ų17045 Ų4564%0.64224%0.242SC*.THydrogen-bonded Turntrans-94.1-5.1178.9-64-175.2-178.1178.51.9114.3L194 R340L194-R196 PolarHBondContact O-N 3.24Å; R196-R340 PolarHBondContact O-NH1 2.59Å
197E89.6Confident89.9Confident5 Ų548 Ų482%0.02326%0.26CS..SBendtrans-96.9162176.6-58.8-54.2155.800111.8Y168 L194 R199 A202 Y330 L338 R340Y168-E197 HydrophobicContact CE1-CG 4.37Å; Y168-E197 WeakPolarHBondContact CE1-OE1 3.49Å; Y168-E197 VanDerWaalsContact CZ-OE1 3.22Å; Y168-E197 PolarHBondContact OH-OE1 3.34Å; L194-E197 HydrophobicContact CB-CB 4.44Å; L194-E197 HydrophobicContact CB-CG 4.05Å; L194-E197 HydrophobicContact CD1-CG 4.42Å; L194-E197 PolarHBondContact O-N 2.87Å; E197-R199 PolarHBondContact O-NE 3.26Å; E197-R199 PolarHBondContact O-NH2 3.09Å; E197-A202 HydrophobicContact CB-CB 4.44Å; E197-Y330 PolarHBondContact OE1-OH 3.05Å; E197-Y330 PolarHBondContact OE2-OH 3.18Å; E197-L338 HydrophobicContact CG-CD2 4.2Å; E197-R340 IonicContact OE1-NH1 2.65Å; E197-R340 IonicContact OE2-CZ 2.85Å; E197-R340 IonicContact OE2-NH1 3.39Å; E197-R340 PolarHBondContact OE2-NH1 3.4Å
198D83.9Confident89.7Confident31 Ų3148.3 Ų48.317%0.16626%0.262CS..  trans-59.1146.5166.2-66.6-53.6000110D200 I201 A202 T344 E345D198-D200 WeakPolarHBondContact CB-OD1 3.42Å; D198-D200 PolarHBondContact O-N 3.43Å; D198-I201 HydrophobicContact CB-CB 4.41Å; D198-I201 HydrophobicContact CB-CG1 3.96Å; D198-I201 WeakPolarHBondContact O-CB 3.45Å; D198-I201 PolarHBondContact O-N 3.1Å; D198-A202 PolarHBondContact O-N 3.3Å; D198-T344 WeakPolarHBondContact OD1-CB 3.2Å; D198-E345 WeakPolarHBondContact OD1-CB 3.24Å; D198-E345 PolarHBondContact OD1-N 3.07Å; D198-E345 PolarHBondContact OD2-N 3.12Å
199R85.7Confident89.7Confident82 Ų8246.9 Ų46.931%0.30926%0.255SS..Hα-helixtrans-65.2-42.5-169.9-66.3-60.589.1-154.30.5112.4F193 L194 E197 I201 A202 D203F193-R199 PolarHBondContact O-NH1 3.02Å; L194-R199 PolarHBondContact O-NH2 2.88Å; E197-R199 PolarHBondContact O-NE 3.26Å; E197-R199 PolarHBondContact O-NH2 3.09Å; R199-I201 VanDerWaalsContact C-N 3.3Å; R199-I201 PolarHBondContact O-N 3.14Å; R199-A202 PolarHBondContact O-N 3.33Å; R199-D203 WeakPolarHBondContact O-CB 3.49Å; R199-D203 VanDerWaalsContact O-CG 3.28Å; R199-D203 PolarHBondContact O-N 3.44Å
200D79.5Confident89.8Confident68 Ų6850.9 Ų50.936%0.36426%0.26SS..Hα-helixtrans-62.3-37.2175.866.9-33.4000112D198 N204D198-D200 WeakPolarHBondContact CB-OD1 3.42Å; D198-D200 PolarHBondContact O-N 3.43Å; D200-N204 WeakPolarHBondContact O-CB 3.33Å; D200-N204 PolarHBondContact O-N 3.45Å; D200-N204 VanDerWaalsContact O-N 3.1Å; D200-N204 PolarHBondContact O-ND2 3.09Å
201I85.4Confident89.7Confident25 Ų2554.5 Ų54.513%0.12827%0.274CS..Hα-helixtrans-66.3-50.6173.1-55.9-57.6000110.2D198 R199 D203 N204 I205 L338 F377D198-I201 HydrophobicContact CB-CB 4.41Å; D198-I201 HydrophobicContact CB-CG1 3.96Å; D198-I201 WeakPolarHBondContact O-CB 3.45Å; D198-I201 PolarHBondContact O-N 3.1Å; R199-I201 VanDerWaalsContact C-N 3.3Å; R199-I201 PolarHBondContact O-N 3.14Å; I201-D203 VanDerWaalsContact C-N 3.31Å; I201-D203 PolarHBondContact O-N 3.02Å; I201-N204 PolarHBondContact O-N 3.44Å; I201-I205 HydrophobicContact CG2-CG1 4.33Å; I201-I205 VanDerWaalsContact O-CG1 3.24Å; I201-I205 WeakPolarHBondContact O-CG1 3.47Å; I201-I205 PolarHBondContact O-N 3.19Å; I201-L338 HydrophobicContact CG2-CD1 3.57Å; I201-F377 HydrophobicContact CD1-CD1 3.49Å; I201-F377 VanDerWaalsContact CD1-CD1 3.49Å; I201-F377 HydrophobicContact CD1-CE1 3.97Å
202A89.3Confident89.7Confident0 Ų052.3 Ų52.30%026%0.255CS..Hα-helixtrans-57.6-42.3179.700000112.3L194 E197 D198 R199 I205 A206L194-A202 HydrophobicContact CB-CB 4.21Å; E197-A202 HydrophobicContact CB-CB 4.44Å; D198-A202 PolarHBondContact O-N 3.3Å; R199-A202 PolarHBondContact O-N 3.33Å; A202-I205 PolarHBondContact O-N 3.49Å; A202-A206 PolarHBondContact O-N 3.24Å
203D87Confident89.7Confident103 Ų10350.3 Ų50.355%0.55126%0.255SS*.Hα-helixtrans-67.6-39.2178.5-71.5-20.2000112.5R199 I201 A206 T207R199-D203 WeakPolarHBondContact O-CB 3.49Å; R199-D203 VanDerWaalsContact O-CG 3.28Å; R199-D203 PolarHBondContact O-N 3.44Å; I201-D203 VanDerWaalsContact C-N 3.31Å; I201-D203 PolarHBondContact O-N 3.02Å; D203-A206 PolarHBondContact O-N 2.61Å; D203-T207 PolarHBondContact O-N 3.3Å; D203-T207 PolarHBondContact O-OG1 3.07Å
204N86.9Confident89.8Confident74 Ų7449.7 Ų49.740%0.39625%0.252SS..Hα-helixtrans-64.6-40.8173.5-82.2-54.6000111.6D200 I201 T207 I208D200-N204 WeakPolarHBondContact O-CB 3.33Å; D200-N204 PolarHBondContact O-N 3.45Å; D200-N204 VanDerWaalsContact O-N 3.1Å; D200-N204 PolarHBondContact O-ND2 3.09Å; I201-N204 PolarHBondContact O-N 3.44Å; N204-T207 WeakPolarHBondContact O-CB 3.26Å; N204-T207 PolarHBondContact O-N 3.36Å; N204-I208 VanDerWaalsContact O-CG1 3.3Å; N204-I208 WeakPolarHBondContact O-CG1 3.45Å; N204-I208 PolarHBondContact O-N 3.17Å
205I91.8Very high90Very high12 Ų1253.2 Ų53.26%0.06227%0.271CS..Hα-helixtrans-64.7-43176-64.1-64.1000110.8V171 F193 L194 I201 A202 T207 I208 L209 M334 L338V171-I205 HydrophobicContact CG1-CG2 4.38Å; F193-I205 HydrophobicContact CE1-CB 4.27Å; F193-I205 HydrophobicContact CE1-CG2 3.87Å; F193-I205 HydrophobicContact CZ-CG2 4.18Å; L194-I205 HydrophobicContact CD1-CB 4.22Å; L194-I205 HydrophobicContact CD1-CG2 3.8Å; I201-I205 HydrophobicContact CG2-CG1 4.33Å; I201-I205 VanDerWaalsContact O-CG1 3.24Å; I201-I205 WeakPolarHBondContact O-CG1 3.47Å; I201-I205 PolarHBondContact O-N 3.19Å; A202-I205 PolarHBondContact O-N 3.49Å; I205-T207 VanDerWaalsContact C-N 3.28Å; I205-T207 PolarHBondContact O-N 3.15Å; I205-I208 HydrophobicContact CD1-CD1 4.46Å; I205-I208 PolarHBondContact O-N 3.41Å; I205-L209 HydrophobicContact CG2-CD1 4.16Å; I205-L209 HydrophobicContact CG2-CG 4.5Å; I205-L209 WeakPolarHBondContact O-CG 3.27Å; I205-L209 PolarHBondContact O-N 2.89Å; I205-M334 HydrophobicContact CD1-CE 3.92Å; I205-M334 HydrophobicContact CD1-SD 3.66Å; I205-M334 HydrophobicContact CG1-SD 4.46Å; I205-M334 HydrophobicContact CG2-CE 3.9Å; I205-M334 HydrophobicContact CG2-SD 3.5Å; I205-M334 VanDerWaalsContact CG2-SD 3.5Å; I205-L338 HydrophobicContact CD1-CB 3.99Å; I205-L338 HydrophobicContact CD1-CD1 4.38Å; I205-L338 HydrophobicContact CG1-CD2 4.38Å
206A93Very high90.4Very high4 Ų450.8 Ų50.83%0.03325%0.254CS..Hα-helixtrans-59.7-40.3174.400000111.8F193 A202 D203 L209 R210 I216F193-A206 HydrophobicContact CD1-CB 3.88Å; F193-A206 HydrophobicContact CE1-CB 3.96Å; A202-A206 PolarHBondContact O-N 3.24Å; D203-A206 PolarHBondContact O-N 2.61Å; A206-L209 PolarHBondContact O-N 3.43Å; A206-R210 VanDerWaalsContact O-CG 3.27Å; A206-R210 WeakPolarHBondContact O-CG 3.11Å; A206-R210 PolarHBondContact O-N 3.3Å; A206-I216 HydrophobicContact CB-CD1 3.93Å
207T90.1Very high90.7Very high64 Ų6444.8 Ų44.839%0.39323%0.234SC..Hα-helixtrans-63.8-47.8175.6-55.90000111.6D203 N204 I205 L209 R210 D211D203-T207 PolarHBondContact O-N 3.3Å; D203-T207 PolarHBondContact O-OG1 3.07Å; N204-T207 WeakPolarHBondContact O-CB 3.26Å; N204-T207 PolarHBondContact O-N 3.36Å; I205-T207 VanDerWaalsContact C-N 3.28Å; I205-T207 PolarHBondContact O-N 3.15Å; T207-L209 VanDerWaalsContact C-N 3.29Å; T207-L209 PolarHBondContact O-N 3.22Å; T207-R210 PolarHBondContact O-N 2.88Å; T207-D211 PolarHBondContact O-N 3.36Å
208I90.7Very high90.9Very high10 Ų1047.2 Ų47.25%0.05125%0.247CC..Hα-helixtrans-57.9-42.1177.2-71166.2000111.5N204 I205 Q212 M334 P336 R375N204-I208 VanDerWaalsContact O-CG1 3.3Å; N204-I208 WeakPolarHBondContact O-CG1 3.45Å; N204-I208 PolarHBondContact O-N 3.17Å; I205-I208 HydrophobicContact CD1-CD1 4.46Å; I205-I208 PolarHBondContact O-N 3.41Å; I208-Q212 WeakPolarHBondContact O-CG 3.34Å; I208-Q212 PolarHBondContact O-N 3.2Å; I208-M334 HydrophobicContact CB-CE 4.29Å; I208-M334 HydrophobicContact CG2-CE 3.69Å; I208-P336 HydrophobicContact CD1-CG 4.3Å; I208-R375 HydrophobicContact CD1-CB 4.34Å; I208-R375 HydrophobicContact CG1-CB 4.26Å
209L95.2Very high91.3Very high0 Ų049.1 Ų49.10%026%0.257CS..Hα-helixtrans-68-42177.9-71.5174.6000111.7V171 F193 I205 A206 T207 D211 Q212 G213 V214 I216 M334V171-L209 HydrophobicContact CG1-CD1 4.17Å; V171-L209 HydrophobicContact CG2-CD1 4.25Å; F193-L209 HydrophobicContact CE1-CD1 4.42Å; F193-L209 HydrophobicContact CZ-CD1 3.7Å; I205-L209 HydrophobicContact CG2-CD1 4.16Å; I205-L209 HydrophobicContact CG2-CG 4.5Å; I205-L209 WeakPolarHBondContact O-CG 3.27Å; I205-L209 PolarHBondContact O-N 2.89Å; A206-L209 PolarHBondContact O-N 3.43Å; T207-L209 VanDerWaalsContact C-N 3.29Å; T207-L209 PolarHBondContact O-N 3.22Å; L209-D211 VanDerWaalsContact C-N 3.32Å; L209-D211 PolarHBondContact O-N 3Å; L209-Q212 CarbonylContact O-C 3.58Å; L209-Q212 WeakPolarHBondContact O-CA 3.38Å; L209-Q212 WeakPolarHBondContact O-CB 3.33Å; L209-Q212 PolarHBondContact O-N 3.26Å; L209-G213 PolarHBondContact O-N 3.37Å; L209-V214 HydrophobicContact CB-CB 3.99Å; L209-V214 HydrophobicContact CB-CG1 4.42Å; L209-V214 HydrophobicContact CB-CG2 4.26Å; L209-V214 HydrophobicContact CD2-CG2 4.3Å; L209-V214 VanDerWaalsContact O-CB 3.24Å; L209-V214 WeakPolarHBondContact O-CB 3.43Å; L209-V214 WeakPolarHBondContact O-CG2 3.46Å; L209-V214 PolarHBondContact O-N 2.82Å; L209-I216 HydrophobicContact CB-CD1 4.34Å; L209-I216 HydrophobicContact CD1-CD1 4.24Å; L209-M334 HydrophobicContact CD2-CE 4.21Å; L209-M334 HydrophobicContact CG-CE 4.3Å
210R95.3Very high91.6Very high132 Ų13245.4 Ų45.450%0.49824%0.244SC..Hα-helixtrans-62.1-40175.1-73.3172.8-171.4136.50.2112.2A206 T207 Q212 G213 V214A206-R210 VanDerWaalsContact O-CG 3.27Å; A206-R210 WeakPolarHBondContact O-CG 3.11Å; A206-R210 PolarHBondContact O-N 3.3Å; T207-R210 PolarHBondContact O-N 2.88Å; R210-Q212 PolarHBondContact O-N 3Å; R210-G213 WeakPolarHBondContact O-CA 3.49Å; R210-G213 PolarHBondContact O-N 3.25Å; R210-V214 WeakPolarHBondContact CA-O 3.34Å
211D90.3Very high92.2Very high116 Ų11647.2 Ų47.262%0.6225%0.25SC*.Hα-helixtrans-63.8-24.3174.1-69.5-15000112.4T207 L209 G213T207-D211 PolarHBondContact O-N 3.36Å; L209-D211 VanDerWaalsContact C-N 3.32Å; L209-D211 PolarHBondContact O-N 3Å; D211-G213 VanDerWaalsContact C-N 3.28Å
212Q91.1Very high92.6Very high29 Ų2947 Ų4714%0.13625%0.25CC..THydrogen-bonded Turntrans-83.40.6171.3-69.7173.13.100113.3S175 A178 I208 L209 R210 V214 T335S175-Q212 PolarHBondContact OG-OE1 3.24Å; A178-Q212 HydrophobicContact CB-CB 4.23Å; I208-Q212 WeakPolarHBondContact O-CG 3.34Å; I208-Q212 PolarHBondContact O-N 3.2Å; L209-Q212 CarbonylContact O-C 3.58Å; L209-Q212 WeakPolarHBondContact O-CA 3.38Å; L209-Q212 WeakPolarHBondContact O-CB 3.33Å; L209-Q212 PolarHBondContact O-N 3.26Å; R210-Q212 PolarHBondContact O-N 3Å; Q212-V214 HydrophobicContact CB-CG2 4.47Å; Q212-T335 PolarHBondContact NE2-O 3.36Å
213G91.4Very high92.9Very high42 Ų4252.8 Ų52.843%0.43328%0.277SS..THydrogen-bonded Turntrans84.120.8-177.800000114.5L209 R210 D211L209-G213 PolarHBondContact O-N 3.37Å; R210-G213 WeakPolarHBondContact O-CA 3.49Å; R210-G213 PolarHBondContact O-N 3.25Å; D211-G213 VanDerWaalsContact C-N 3.28Å
214V98.1Very high93.3Very high1 Ų153.5 Ų53.51%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-90.9120.1175.2-176.10000110.4A174 A178 V184 I186 L209 R210 Q212 I216A174-V214 HydrophobicContact CB-CG1 4.09Å; A174-V214 HydrophobicContact CB-CG2 4.37Å; A178-V214 HydrophobicContact CB-CG2 3.8Å; V184-V214 HydrophobicContact CB-CG1 4.17Å; V184-V214 HydrophobicContact CB-CG2 4.17Å; V184-V214 HydrophobicContact CG1-CG1 4.09Å; V184-V214 WeakPolarHBondContact O-CA 3.4Å; I186-V214 HydrophobicContact CD1-CG1 3.96Å; I186-V214 HydrophobicContact CG1-CG1 3.98Å; L209-V214 HydrophobicContact CB-CB 3.99Å; L209-V214 HydrophobicContact CB-CG1 4.42Å; L209-V214 HydrophobicContact CB-CG2 4.26Å; L209-V214 HydrophobicContact CD2-CG2 4.3Å; L209-V214 VanDerWaalsContact O-CB 3.24Å; L209-V214 WeakPolarHBondContact O-CB 3.43Å; L209-V214 WeakPolarHBondContact O-CG2 3.46Å; L209-V214 PolarHBondContact O-N 2.82Å; R210-V214 WeakPolarHBondContact CA-O 3.34Å; Q212-V214 HydrophobicContact CB-CG2 4.47Å; V214-I216 HydrophobicContact CG1-CG1 4.38Å
215D97.1Very high93.8Very high75 Ų7550.2 Ų50.240%0.40125%0.254SS..EExtended strand (participates in β ladder)trans-81.7133.7171.1-66.8-42.2000110.1V184 T185 I186V184-D215 PolarHBondContact O-N 3.43Å; T185-D215 CarbonylContact C-O 3.59Å; T185-D215 WeakPolarHBondContact CA-O 3.23Å; T185-D215 HydrophobicContact CG2-CB 4.06Å; I186-D215 PolarHBondContact N-O 3.19Å
216I97Very high94Very high23 Ų2351 Ų5112%0.11826%0.261CS..EExtended strand (participates in β ladder)trans-121.7117.2177.9-55.2174000108.6I186 F193 A206 L209 V214 L218I186-I216 HydrophobicContact CD1-CG1 4.4Å; F193-I216 HydrophobicContact CD2-CG2 4.3Å; F193-I216 HydrophobicContact CE1-CD1 4.47Å; F193-I216 HydrophobicContact CE2-CD1 4.29Å; F193-I216 HydrophobicContact CZ-CD1 4.22Å; A206-I216 HydrophobicContact CB-CD1 3.93Å; L209-I216 HydrophobicContact CB-CD1 4.34Å; L209-I216 HydrophobicContact CD1-CD1 4.24Å; V214-I216 HydrophobicContact CG1-CG1 4.38Å; I216-L218 HydrophobicContact CG2-CD2 3.86Å; I216-L218 HydrophobicContact CG2-CG 4.48Å
217I95.3Very high94.1Very high45 Ų4554.9 Ų54.923%0.23128%0.278CS..EExtended strand (participates in β ladder)trans-114.5113.8179.8-50.9177.6000108T185 I186 L187 E188 A220 A239T185-I217 HydrophobicContact CG2-CD1 3.77Å; T185-I217 HydrophobicContact CG2-CG1 4.19Å; I186-I217 PolarHBondContact O-N 2.96Å; L187-I217 HydrophobicContact CD2-CB 4.12Å; L187-I217 HydrophobicContact CD2-CD1 3.96Å; L187-I217 HydrophobicContact CD2-CG2 4.47Å; E188-I217 PolarHBondContact N-O 3.01Å; I217-A220 HydrophobicContact CB-CB 4.42Å; I217-A220 HydrophobicContact CG2-CB 3.96Å; I217-A239 HydrophobicContact CD1-CB 4.22Å
218L94.3Very high94.2Very high55 Ų5556.7 Ų56.729%0.28828%0.282SS..SBendtrans-93164.3177.8-54-177.3000110.8E188 S191 F193 I216 A220E188-L218 HydrophobicContact CB-CD2 3.79Å; E188-L218 HydrophobicContact CG-CD2 4.04Å; E188-L218 CarbonylContact O-C 3.53Å; E188-L218 WeakPolarHBondContact O-CA 3.22Å; S191-L218 WeakPolarHBondContact O-CD1 3.49Å; F193-L218 HydrophobicContact CB-CD2 4.13Å; I216-L218 HydrophobicContact CG2-CD2 3.86Å; I216-L218 HydrophobicContact CG2-CG 4.48Å; L218-A220 PolarHBondContact O-N 2.9Å; L218-A220 VanDerWaalsContact O-N 3.17Å
219N92.4Very high93.9Very high72 Ų7263.7 Ų63.739%0.38531%0.314SS..SBendtrans54.624.5-173.1-48.9-73.4000113.1E188 A190 S191 H221 H238E188-N219 PolarHBondContact O-N 3.21Å; A190-N219 PolarHBondContact O-N 3.36Å; A190-N219 VanDerWaalsContact O-N 3.07Å; S191-N219 VanDerWaalsContact CA-OD1 3.3Å; S191-N219 WeakPolarHBondContact CA-OD1 3.27Å; S191-N219 WeakPolarHBondContact CB-OD1 3.47Å; N219-H221 PolarHBondContact O-CD2 2.96Å; N219-H221 PolarHBondContact O-N 3.04Å; N219-H221 VanDerWaalsContact O-N 3.08Å; N219-H238 PolarHBondContact O-CD2 3.3Å; N219-H238 PolarHBondContact O-NE2 2.81Å
220A92.4Very high93.6Very high3 Ų370.5 Ų70.53%0.02535%0.351CS..  trans-85.183.1-174.300000110.9L187 E188 I217 L218 V222L187-A220 HydrophobicContact CB-CB 4.02Å; L187-A220 HydrophobicContact CD2-CB 3.78Å; E188-A220 PolarHBondContact O-N 3.29Å; I217-A220 HydrophobicContact CB-CB 4.42Å; I217-A220 HydrophobicContact CG2-CB 3.96Å; L218-A220 PolarHBondContact O-N 2.9Å; L218-A220 VanDerWaalsContact O-N 3.17Å; A220-V222 PolarHBondContact O-N 3.38Å
221H92.5Very high93.6Very high107 Ų10767.2 Ų67.250%0.49534%0.341SS..  trans-76.4109.1173.2-62.3-73.4000110.5N219 E223 S236N219-H221 PolarHBondContact O-CD2 2.96Å; N219-H221 PolarHBondContact O-N 3.04Å; N219-H221 VanDerWaalsContact O-N 3.08Å; H221-E223 PolarHBondContact O-N 3.34Å; H221-S236 WeakPolarHBondContact O-CA 3.32Å; H221-S236 VanDerWaalsContact O-CB 3.24Å; H221-S236 WeakPolarHBondContact O-CB 3.44Å
222V94.5Very high93.9Very high21 Ų2161.7 Ų61.713%0.12731%0.312CS..EExtended strand (participates in β ladder)trans-80.1119.1176.8178.20000109.9I136 L164 L187 A220 I225 V234 H235I136-V222 HydrophobicContact CD1-CB 3.97Å; I136-V222 HydrophobicContact CD1-CG1 4.19Å; I136-V222 HydrophobicContact CG2-CG1 3.91Å; L164-V222 HydrophobicContact CD2-CG2 3.79Å; L187-V222 HydrophobicContact CD1-CG2 4.17Å; A220-V222 PolarHBondContact O-N 3.38Å; V222-I225 HydrophobicContact CG1-CD1 4.48Å; V222-I225 HydrophobicContact CG1-CG1 4.01Å; V222-V234 HydrophobicContact CB-CG1 4.27Å; V222-V234 HydrophobicContact CG1-CG1 3.57Å; V222-V234 HydrophobicContact CG2-CG1 3.63Å; V222-H235 CarbonylContact C-O 3.4Å
223E94.9Very high94.2Very high121 Ų12162 Ų6257%0.56531%0.313SS*.EExtended strand (participates in β ladder)trans-86.7-39.6-177-61.2178.317200112.4P137 H221 H235P137-E223 WeakPolarHBondContact CD-O 3.45Å; H221-E223 PolarHBondContact O-N 3.34Å; E223-H235 PolarHBondContact N-O 2.89Å
224R95.8Very high94.4Very high117 Ų11760 Ų6044%0.44229%0.292SS..EExtended strand (participates in β ladder)trans-155.4161.3173.274172.8161.197.12.7112.4P137 S226 H235P137-R224 HydrophobicContact CB-CB 4.19Å; R224-S226 PolarHBondContact NH1-OG 2.92Å; R224-S226 VanDerWaalsContact NH1-OG 3.14Å; R224-H235 HydrophobicContact CG-CB 3.71Å; R224-H235 VanDerWaalsContact CZ-CE1 3.47Å; R224-H235 PolarHBondContact N-O 3.48Å; R224-H235 PolarHBondContact NH1-CE1 3.12Å; R224-H235 PolarHBondContact NH1-NE2 2.71Å; R224-H235 VanDerWaalsContact NH1-NE2 3.16Å; R224-H235 PolarHBondContact NH2-CE1 2.94Å; R224-H235 PolarHBondContact NH2-ND1 2.83Å; R224-H235 VanDerWaalsContact NH2-ND1 3.19Å; R224-H235 WeakPolarHBondContact O-CB 3.28Å; R224-H235 PolarHBondContact O-N 3.01Å
225I96.7Very high94.2Very high6 Ų661 Ų613%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-121140.1171-62.8160.3000108.1I136 P137 I139 T142 V145 L164 V222 V232 Q233 L246I136-I225 HydrophobicContact CG2-CD1 3.95Å; I136-I225 HydrophobicContact CG2-CG1 4.06Å; P137-I225 PolarHBondContact O-N 3.04Å; I139-I225 HydrophobicContact CB-CD1 3.83Å; I139-I225 HydrophobicContact CD1-CD1 4.18Å; I139-I225 HydrophobicContact CG1-CD1 3.72Å; T142-I225 HydrophobicContact CG2-CG2 3.93Å; V145-I225 HydrophobicContact CG2-CG2 3.97Å; L164-I225 HydrophobicContact CD1-CD1 4.15Å; V222-I225 HydrophobicContact CG1-CD1 4.48Å; V222-I225 HydrophobicContact CG1-CG1 4.01Å; I225-V232 HydrophobicContact CG2-CG1 3.57Å; I225-Q233 WeakPolarHBondContact CA-O 3.44Å; I225-L246 HydrophobicContact CD1-CD2 3.64Å; I225-L246 HydrophobicContact CG1-CD2 4.12Å; I225-L246 HydrophobicContact CG2-CD2 4.27Å
226S95.8Very high93.8Very high29 Ų2957.6 Ų57.620%0.20328%0.279CS..EExtended strand (participates in β ladder)trans-146.2168.9177.355.20000110.7T142 R224 Q233 H235T142-S226 VanDerWaalsContact CG2-C 3.5Å; R224-S226 PolarHBondContact NH1-OG 2.92Å; R224-S226 VanDerWaalsContact NH1-OG 3.14Å; S226-Q233 PolarHBondContact N-O 3.05Å; S226-Q233 PolarHBondContact O-N 2.62Å; S226-H235 PolarHBondContact OG-NE2 2.72Å
227H94.4Very high93.1Very high85 Ų8563.3 Ų63.339%0.39431%0.305SS..EExtended strand (participates in β ladder)trans-113.9131.1177.9-168.1-99.5000110.3T142 Q231T142-H227 HydrophobicContact CG2-CB 3.77Å; H227-Q231 WeakPolarHBondContact CA-O 3.32Å; H227-Q231 PolarHBondContact CD2-O 3.28Å
228H92.2Very high92Very high101 Ų10166.5 Ų66.547%0.46832%0.319SS..EExtended strand (participates in β ladder)trans-146.5134.4176.9-174.1-92.8000110N230 Q231 Q233H228-N230 VanDerWaalsContact C-N 3.32Å; H228-N230 PolarHBondContact O-N 3.02Å; H228-Q231 PolarHBondContact N-O 3.26Å; H228-Q231 PolarHBondContact O-N 3.44Å; H228-Q231 VanDerWaalsContact O-O 3.13Å; H228-Q233 HydrophobicContact CB-CG 3.66Å
229E85.7Confident90.8Very high158 Ų15864.9 Ų64.974%0.73831%0.314SS*.THydrogen-bonded Turntrans47.347.9175.6-72.4175.2174.800114.4Q231E229-Q231 PolarHBondContact O-N 3.28Å
230N88.5Confident90.6Very high143 Ų14367.4 Ų67.477%0.76532%0.323SS*.THydrogen-bonded Turntrans63.316.8-177.7-64.8-15.5000115.7H228H228-N230 VanDerWaalsContact C-N 3.32Å; H228-N230 PolarHBondContact O-N 3.02Å
231Q94.8Very high90.7Very high62 Ų6268.3 Ų68.329%0.2933%0.327SS..EExtended strand (participates in β ladder)trans-124.8150.3176.5-64.7-171-47.200111.7H227 H228 E229 V243 D244H227-Q231 WeakPolarHBondContact CA-O 3.32Å; H227-Q231 PolarHBondContact CD2-O 3.28Å; H228-Q231 PolarHBondContact N-O 3.26Å; H228-Q231 PolarHBondContact O-N 3.44Å; H228-Q231 VanDerWaalsContact O-O 3.13Å; E229-Q231 PolarHBondContact O-N 3.28Å; Q231-V243 WeakPolarHBondContact CA-O 3.45Å; Q231-V243 WeakPolarHBondContact CB-O 3.39Å; Q231-D244 PolarHBondContact NE2-OD1 2.83Å
232V97.1Very high90.9Very high1 Ų164.7 Ų64.71%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-78.5122.8168.8-174.90000108.4T142 P143 V145 I225 V234 A242 V243 L246T142-V232 HydrophobicContact CG2-CG1 4.36Å; P143-V232 WeakPolarHBondContact O-CG2 3.4Å; V145-V232 HydrophobicContact CG2-CG1 4.07Å; V145-V232 HydrophobicContact CG2-CG2 4.45Å; I225-V232 HydrophobicContact CG2-CG1 3.57Å; V232-V234 HydrophobicContact CG1-CG2 4.3Å; V232-A242 WeakPolarHBondContact O-CA 3.33Å; V232-V243 HydrophobicContact CB-CG2 3.88Å; V232-V243 HydrophobicContact CG1-CG2 4.45Å; V232-V243 PolarHBondContact N-O 3.44Å; V232-V243 PolarHBondContact O-N 2.83Å; V232-L246 HydrophobicContact CG1-CB 4.06Å; V232-L246 HydrophobicContact CG1-CD2 4Å
233Q97Very high91Very high34 Ų3463.7 Ų63.716%0.15931%0.31CS..EExtended strand (participates in β ladder)trans-100.3114.1175.9-59.5-64.4-28.200109I225 S226 H228 H235I225-Q233 WeakPolarHBondContact CA-O 3.44Å; S226-Q233 PolarHBondContact N-O 3.05Å; S226-Q233 PolarHBondContact O-N 2.62Å; H228-Q233 HydrophobicContact CB-CG 3.66Å; Q233-H235 PolarHBondContact O-CD2 3.32Å
234V96.3Very high91.2Very high1 Ų160.9 Ų60.91%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-99.7117.1177.2-171.50000108.9L187 V222 V232 L241 L246L187-V234 HydrophobicContact CD1-CB 4.41Å; L187-V234 HydrophobicContact CD1-CG1 3.7Å; V222-V234 HydrophobicContact CB-CG1 4.27Å; V222-V234 HydrophobicContact CG1-CG1 3.57Å; V222-V234 HydrophobicContact CG2-CG1 3.63Å; V232-V234 HydrophobicContact CG1-CG2 4.3Å; V234-L241 HydrophobicContact CB-CB 4.33Å; V234-L241 PolarHBondContact N-O 2.96Å; V234-L241 PolarHBondContact O-N 3.03Å; V234-L246 HydrophobicContact CG2-CD1 3.88Å; V234-L246 HydrophobicContact CG2-CD2 3.86Å; V234-L246 HydrophobicContact CG2-CG 4.46Å
235H94.5Very high91.3Very high22 Ų2255.5 Ų55.510%0.10228%0.279CS..EExtended strand (participates in β ladder)trans-100.9113.6-178.1-60.6-99.1000108.5V222 E223 R224 S226 Q233 Q240V222-H235 CarbonylContact C-O 3.4Å; E223-H235 PolarHBondContact N-O 2.89Å; R224-H235 HydrophobicContact CG-CB 3.71Å; R224-H235 VanDerWaalsContact CZ-CE1 3.47Å; R224-H235 PolarHBondContact N-O 3.48Å; R224-H235 PolarHBondContact NH1-CE1 3.12Å; R224-H235 PolarHBondContact NH1-NE2 2.71Å; R224-H235 VanDerWaalsContact NH1-NE2 3.16Å; R224-H235 PolarHBondContact NH2-CE1 2.94Å; R224-H235 PolarHBondContact NH2-ND1 2.83Å; R224-H235 VanDerWaalsContact NH2-ND1 3.19Å; R224-H235 WeakPolarHBondContact O-CB 3.28Å; R224-H235 PolarHBondContact O-N 3.01Å; S226-H235 PolarHBondContact OG-NE2 2.72Å; Q233-H235 PolarHBondContact O-CD2 3.32Å; H235-Q240 PolarHBondContact CE1-OE1 3.05Å; H235-Q240 VanDerWaalsContact CE1-OE1 3.22Å; H235-Q240 PolarHBondContact ND1-OE1 3.2Å
236S88.9Confident91.3Very high4 Ų455.2 Ų55.23%0.02828%0.278CS..EExtended strand (participates in β ladder)trans-130.2160.3171.369.80000110.1H221 H238 A239H221-S236 WeakPolarHBondContact O-CA 3.32Å; H221-S236 VanDerWaalsContact O-CB 3.24Å; H221-S236 WeakPolarHBondContact O-CB 3.44Å; S236-H238 PolarHBondContact O-N 3.13Å; S236-A239 PolarHBondContact N-O 3.46Å; S236-A239 PolarHBondContact O-N 3.44Å; S236-A239 VanDerWaalsContact O-O 3.14Å; S236-A239 PolarHBondContact OG-N 2.89Å; S236-A239 PolarHBondContact OG-O 3.33Å
237E82.2Confident91.5Very high143 Ų14353.8 Ų53.867%0.66827%0.268SS*.SBendtrans-55.6-35.8177.1-171.4-179.1170.100112.3
238H70.5Confident91.6Very high111 Ų11150.3 Ų50.351%0.51425%0.252SS..SBendtrans-98.4-15.3-174.2-58.2-39.6000114.5N219 S236N219-H238 PolarHBondContact O-CD2 3.3Å; N219-H238 PolarHBondContact O-NE2 2.81Å; S236-H238 PolarHBondContact O-N 3.13Å
239A70.1Confident91.9Very high22 Ų2245.9 Ų45.918%0.18223%0.233CC..  trans-155.7137.1-175.800000112.6I217 S236I217-A239 HydrophobicContact CD1-CB 4.22Å; S236-A239 PolarHBondContact N-O 3.46Å; S236-A239 PolarHBondContact O-N 3.44Å; S236-A239 VanDerWaalsContact O-O 3.14Å; S236-A239 PolarHBondContact OG-N 2.89Å; S236-A239 PolarHBondContact OG-O 3.33Å
240Q88.9Confident92.2Very high124 Ų12440.6 Ų40.658%0.57921%0.214SC*.EExtended strand (participates in β ladder)trans-102109.7162.5-67.7-64.4-30.600107.2H235H235-Q240 PolarHBondContact CE1-OE1 3.05Å; H235-Q240 VanDerWaalsContact CE1-OE1 3.22Å; H235-Q240 PolarHBondContact ND1-OE1 3.2Å
241L94.2Very high92.5Very high22 Ų2235.2 Ų35.212%0.11519%0.192CC..EExtended strand (participates in β ladder)trans-119.7119.6-171.1-173.375.6000110.2T185 L187 V234 V243T185-L241 HydrophobicContact CG2-CD1 4.36Å; T185-L241 HydrophobicContact CG2-CD2 3.9Å; L187-L241 HydrophobicContact CD1-CD2 4.14Å; V234-L241 HydrophobicContact CB-CB 4.33Å; V234-L241 PolarHBondContact N-O 2.96Å; V234-L241 PolarHBondContact O-N 3.03Å; L241-V243 HydrophobicContact CD1-CG1 4.43Å; L241-V243 HydrophobicContact CD2-CG1 3.61Å; L241-V243 HydrophobicContact CG-CG1 3.68Å
242A96.3Very high92.5Very high32 Ų3234.6 Ų34.626%0.26419%0.187SC..EExtended strand (participates in β ladder)trans-95.6124.6169.700000109.2H160 V232H160-A242 PolarHBondContact ND1-O 2.98Å; V232-A242 WeakPolarHBondContact O-CA 3.33Å
243V97.4Very high92.4Very high0 Ų038.4 Ų38.40%021%0.205CC..EExtended strand (participates in β ladder)trans-134.1153.2179.5-59.50000111H160 Q231 V232 L241 A245 L246H160-V243 WeakPolarHBondContact O-CB 3.36Å; Q231-V243 WeakPolarHBondContact CA-O 3.45Å; Q231-V243 WeakPolarHBondContact CB-O 3.39Å; V232-V243 HydrophobicContact CB-CG2 3.88Å; V232-V243 HydrophobicContact CG1-CG2 4.45Å; V232-V243 PolarHBondContact N-O 3.44Å; V232-V243 PolarHBondContact O-N 2.83Å; L241-V243 HydrophobicContact CD1-CG1 4.43Å; L241-V243 HydrophobicContact CD2-CG1 3.61Å; L241-V243 HydrophobicContact CG-CG1 3.68Å; V243-A245 WeakPolarHBondContact CG2-O 3.33Å; V243-L246 HydrophobicContact CG2-CB 4.22Å; V243-L246 HydrophobicContact CG2-CD1 4.49Å
244D97.4Very high92.5Very high62 Ų6237.2 Ų37.233%0.33220%0.2SC..SBendtrans-78.6-28.6177.8-52.4-47.1000111.4P158 G159 H160 Q231P158-D244 HydrophobicContact CB-CB 4.02Å; G159-D244 WeakPolarHBondContact CA-OD2 3.27Å; G159-D244 PolarHBondContact N-OD2 2.82Å; H160-D244 PolarHBondContact N-OD2 3.03Å; H160-D244 PolarHBondContact O-N 3.22Å; Q231-D244 PolarHBondContact NE2-OD1 2.83Å
245A97.8Very high92.5Very high3 Ų338.1 Ų38.13%0.02521%0.207CC..EExtended strand (participates in β ladder)trans-144148.1174.100000110.9G144 Y146 L151 L154 P158 H160 L161 G162 V243G144-A245 WeakPolarHBondContact O-CA 3.31Å; Y146-A245 HydrophobicContact CD2-CB 4.1Å; Y146-A245 HydrophobicContact CE2-CB 3.93Å; L151-A245 HydrophobicContact CD1-CB 4.32Å; L154-A245 HydrophobicContact CD1-CB 4.47Å; P158-A245 HydrophobicContact CB-CB 3.98Å; P158-A245 HydrophobicContact CG-CB 4.3Å; H160-A245 PolarHBondContact O-N 3.05Å; L161-A245 HydrophobicContact CD1-CB 4.01Å; G162-A245 PolarHBondContact N-O 3.2Å; V243-A245 WeakPolarHBondContact CG2-O 3.33Å
246L98.2Very high92.6Very high0 Ų037.5 Ų37.50%021%0.205CC..EExtended strand (participates in β ladder)trans-124.7124.7177.1-175.866.9000110.8G144 V145 Y146 G162 L164 I225 V232 V234 V243G144-L246 PolarHBondContact O-N 3.27Å; V145-L246 HydrophobicContact CG1-CD2 4.3Å; V145-L246 HydrophobicContact CG2-CB 4.31Å; V145-L246 HydrophobicContact CG2-CD2 4.11Å; Y146-L246 PolarHBondContact N-O 2.97Å; G162-L246 CarbonylContact O-C 3.58Å; G162-L246 WeakPolarHBondContact O-CA 3.24Å; L164-L246 HydrophobicContact CD1-CD2 4.12Å; L164-L246 HydrophobicContact CD1-CG 4.47Å; L164-L246 HydrophobicContact CD2-CD1 4.08Å; L164-L246 HydrophobicContact CG-CD1 3.97Å; L164-L246 HydrophobicContact CG-CD2 4.34Å; L164-L246 HydrophobicContact CG-CG 4.26Å; I225-L246 HydrophobicContact CD1-CD2 3.64Å; I225-L246 HydrophobicContact CG1-CD2 4.12Å; I225-L246 HydrophobicContact CG2-CD2 4.27Å; V232-L246 HydrophobicContact CG1-CB 4.06Å; V232-L246 HydrophobicContact CG1-CD2 4Å; V234-L246 HydrophobicContact CG2-CD1 3.88Å; V234-L246 HydrophobicContact CG2-CD2 3.86Å; V234-L246 HydrophobicContact CG2-CG 4.46Å; V243-L246 HydrophobicContact CG2-CB 4.22Å; V243-L246 HydrophobicContact CG2-CD1 4.49Å
247L98.4Very high92.9Very high0 Ų041 Ų410%023%0.234CC..EExtended strand (participates in β ladder)trans-94.6131.3175.5179.257.7000111.8Y146 D147 L151 L161 G162 I163 L164 F173 A249Y146-L247 CarbonylContact O-C 3.58Å; Y146-L247 WeakPolarHBondContact O-CA 3.5Å; D147-L247 VanDerWaalsContact C-CD1 3.48Å; L151-L247 HydrophobicContact CB-CD1 4.24Å; L151-L247 HydrophobicContact CD2-CB 4.01Å; L151-L247 HydrophobicContact CD2-CD1 3.93Å; L151-L247 HydrophobicContact CD2-CD2 3.88Å; L151-L247 HydrophobicContact CD2-CG 4.14Å; L161-L247 HydrophobicContact CD1-CB 4.49Å; G162-L247 PolarHBondContact O-N 2.65Å; I163-L247 HydrophobicContact CB-CB 4.44Å; I163-L247 HydrophobicContact CD1-CD2 4.38Å; I163-L247 HydrophobicContact CG1-CB 4.09Å; I163-L247 HydrophobicContact CG1-CD2 4.27Å; I163-L247 HydrophobicContact CG2-CB 4.38Å; I163-L247 HydrophobicContact CG2-CD2 4.14Å; I163-L247 HydrophobicContact CG2-CG 4.45Å; L164-L247 PolarHBondContact N-O 3.28Å; F173-L247 HydrophobicContact CB-CD2 3.64Å; F173-L247 HydrophobicContact CD1-CD2 4.1Å; F173-L247 HydrophobicContact CD2-CD2 4.27Å; F173-L247 HydrophobicContact CG-CD2 3.74Å; L247-A249 HydrophobicContact CD2-CB 4.25Å; L247-A249 HydrophobicContact CG-CB 4.21Å
248I98.1Very high93.5Very high12 Ų1236.3 Ų36.36%0.06222%0.217CC..EExtended strand (participates in β ladder)trans-87.9106.7166-52.1172.4000108.8T131 V133 I139 V145 Y146 S250T131-I248 HydrophobicContact CG2-CB 4.39Å; T131-I248 HydrophobicContact CG2-CG2 3.95Å; V133-I248 HydrophobicContact CG1-CD1 4.4Å; I139-I248 HydrophobicContact CD1-CD1 3.91Å; I139-I248 HydrophobicContact CD1-CG1 4.11Å; I139-I248 HydrophobicContact CG1-CD1 3.77Å; I139-I248 HydrophobicContact CG1-CG1 4.24Å; V145-I248 HydrophobicContact CG1-CD1 3.85Å; V145-I248 HydrophobicContact CG1-CG1 3.91Å; Y146-I248 PolarHBondContact O-N 3.12Å; I248-S250 VanDerWaalsContact CG2-OG 3.32Å; I248-S250 WeakPolarHBondContact CG2-OG 3.48Å
249A97Very high94.8Very high7 Ų731.2 Ų31.26%0.05819%0.194CC..  trans-123.427.3179.500000112.8I163 L164 I169 L247 G251I163-A249 HydrophobicContact CG2-CB 3.91Å; L164-A249 CarbonylContact O-C 3.44Å; L164-A249 WeakPolarHBondContact O-CA 3.17Å; L164-A249 WeakPolarHBondContact O-CB 3.14Å; L164-A249 PolarHBondContact O-N 2.91Å; I169-A249 HydrophobicContact CB-CB 4.4Å; I169-A249 HydrophobicContact CG2-CB 4.18Å; L247-A249 HydrophobicContact CD2-CB 4.25Å; L247-A249 HydrophobicContact CG-CB 4.21Å; A249-G251 PolarHBondContact O-N 2.91Å
250S93.7Very high96.1Very high48 Ų4833.5 Ų33.534%0.33620%0.201SC..SBendtrans-72.715.7-178.138.30000115.5V132 P134 L164 I248V132-S250 PolarHBondContact O-OG 3.16Å; P134-S250 VanDerWaalsContact CD-OG 3.27Å; P134-S250 WeakPolarHBondContact CD-OG 3.34Å; P134-S250 WeakPolarHBondContact CG-OG 3.23Å; L164-S250 PolarHBondContact O-N 3.45Å; I248-S250 VanDerWaalsContact CG2-OG 3.32Å; I248-S250 WeakPolarHBondContact CG2-OG 3.48Å
251G93.1Very high96.5Very high30 Ų3028 Ų2831%0.30918%0.175SC..  trans99.9-174.5179.900000114.1V132 A249V132-G251 PolarHBondContact N-O 3.18Å; A249-G251 PolarHBondContact O-N 2.91Å
252R95.1Very high96.7Very high49 Ų4932.3 Ų32.319%0.18520%0.195CC..EExtended strand (participates in β ladder)trans-135.5142.7-171.2-65.4172.961.177.6-2.3110.5A129 Q130 I169A129-R252 VanDerWaalsContact C-NH2 3.3Å; A129-R252 HydrophobicContact CB-CB 4.22Å; A129-R252 PolarHBondContact O-NH2 2.97Å; Q130-R252 CarbonylContact O-C 3.51Å; Q130-R252 WeakPolarHBondContact O-CA 3.31Å; I169-R252 HydrophobicContact CD1-CG 3.99Å
253Q95.7Very high96.7Very high80 Ų8034.7 Ų34.737%0.37420%0.204SC..EExtended strand (participates in β ladder)trans-118.6146.5177.262.2-1794.300111A129 Q130 V132A129-Q253 CarbonylContact C-O 3.34Å; A129-Q253 WeakPolarHBondContact CA-O 3.49Å; A129-Q253 VanDerWaalsContact CB-O 3.23Å; A129-Q253 WeakPolarHBondContact CB-O 3.41Å; Q130-Q253 HydrophobicContact CG-CG 3.74Å; Q130-Q253 PolarHBondContact N-O 3.46Å; Q130-Q253 PolarHBondContact O-N 3.33Å; V132-Q253 HydrophobicContact CG2-CB 3.78Å; V132-Q253 HydrophobicContact CG2-CG 3.96Å
254P98.1Very high96.8Very high10 Ų1035 Ų357%0.06521%0.206CC..EExtended strand (participates in β ladder)trans-48.8137172.9-31.439000113.6T256 A273P254-T256 HydrophobicContact CB-CG2 4.02Å; P254-T256 PolarHBondContact O-N 2.97Å; P254-A273 HydrophobicContact CB-CB 4.38Å; P254-A273 HydrophobicContact CG-CB 3.6Å
255A97Very high96.8Very high19 Ų1934.5 Ų34.516%0.15722%0.215CC..SBendtrans-88.674.7178.800000110.5T127 G128T127-A255 WeakPolarHBondContact CB-O 3.33Å; T127-A255 PolarHBondContact OG1-O 3.04Å; G128-A255 PolarHBondContact O-N 3.34Å
256T97.5Very high96.8Very high10 Ų1034.7 Ų34.76%0.06122%0.216CC..  trans-115.9-26.1-173.852.40000114.3P254 S258 L259 G272 I274 V293P254-T256 HydrophobicContact CB-CG2 4.02Å; P254-T256 PolarHBondContact O-N 2.97Å; T256-S258 VanDerWaalsContact C-N 3.33Å; T256-S258 PolarHBondContact O-N 2.93Å; T256-L259 VanDerWaalsContact O-CB 3.32Å; T256-L259 WeakPolarHBondContact O-CB 3.35Å; T256-L259 PolarHBondContact O-N 2.91Å; T256-G272 WeakPolarHBondContact CB-O 3.24Å; T256-G272 WeakPolarHBondContact CG2-O 3.46Å; T256-G272 PolarHBondContact OG1-O 3.27Å; T256-I274 HydrophobicContact CG2-CD1 4.12Å; T256-I274 HydrophobicContact CG2-CG1 3.69Å; T256-V293 HydrophobicContact CG2-CG2 3.44Å; T256-V293 VanDerWaalsContact CG2-CG2 3.44Å
257A93.9Very high96.8Very high77 Ų7736.6 Ų36.664%0.63623%0.232SC*.G310 helixtrans-56.6-42.2-170.200000113.7L259 H260A257-L259 PolarHBondContact O-N 3.33Å; A257-H260 PolarHBondContact O-N 3.26Å
258S95.2Very high96.8Very high44 Ų4439.6 Ų39.631%0.30825%0.25SC..G310 helixtrans-74.4-9.6179.763.80000114.3Q98 T256 H260Q98-S258 PolarHBondContact NE2-OG 3.39Å; T256-S258 VanDerWaalsContact C-N 3.33Å; T256-S258 PolarHBondContact O-N 2.93Å; S258-H260 VanDerWaalsContact C-N 3.35Å
259L97.7Very high96.7Very high4 Ų442.6 Ų42.62%0.02127%0.266CS..G310 helixtrans-80.8-18.5179.2-63.7178.4000112.2I9 A99 F101 I125 T127 T256 A257I9-L259 HydrophobicContact CD1-CD2 4.41Å; I9-L259 HydrophobicContact CG2-CD2 4.04Å; A99-L259 WeakPolarHBondContact O-CD2 3.37Å; F101-L259 HydrophobicContact CD2-CB 4.13Å; F101-L259 VanDerWaalsContact CD2-O 3.31Å; F101-L259 WeakPolarHBondContact CD2-O 3.12Å; F101-L259 HydrophobicContact CE2-CB 4.25Å; F101-L259 PolarHBondContact N-O 2.92Å; I125-L259 HydrophobicContact CG2-CD1 3.7Å; T127-L259 HydrophobicContact CG2-CD1 3.92Å; T127-L259 HydrophobicContact CG2-CD2 4.09Å; T127-L259 HydrophobicContact CG2-CG 4.39Å; T256-L259 VanDerWaalsContact O-CB 3.32Å; T256-L259 WeakPolarHBondContact O-CB 3.35Å; T256-L259 PolarHBondContact O-N 2.91Å; A257-L259 PolarHBondContact O-N 3.33Å
260H97.6Very high96.6Very high70 Ų7052.3 Ų52.332%0.32431%0.31SS..  trans50.655.8-170-64.6-67.9000112.5E100 A257 S258 E262 N263E100-H260 IonicContact OE2-CD2 2.66Å; A257-H260 PolarHBondContact O-N 3.26Å; S258-H260 VanDerWaalsContact C-N 3.35Å; H260-E262 WeakPolarHBondContact CA-OE1 3.36Å; H260-E262 WeakPolarHBondContact CA-OE2 3.4Å; H260-E262 WeakPolarHBondContact CB-OE1 3.34Å; H260-E262 IonicContact CG-OE1 3.75Å; H260-E262 IonicContact ND1-OE1 3.49Å; H260-E262 PolarHBondContact ND1-OE1 3.5Å; H260-E262 PolarHBondContact O-N 2.68Å; H260-N263 WeakPolarHBondContact CB-ND2 3.12Å; H260-N263 WeakPolarHBondContact O-CB 3.4Å; H260-N263 PolarHBondContact O-N 2.92Å
261P97.6Very high96.6Very high8 Ų859.3 Ų59.35%0.05233%0.329CS..G310 helixtrans-55.8-27.1-174.324.4-34.6000113.6N263 A264 G265 I266 V268P261-N263 PolarHBondContact O-N 2.84Å; P261-A264 PolarHBondContact O-N 2.88Å; P261-A264 VanDerWaalsContact O-N 3.08Å; P261-G265 PolarHBondContact O-N 3.49Å; P261-I266 HydrophobicContact CB-CB 3.81Å; P261-I266 HydrophobicContact CB-CG2 4.06Å; P261-I266 WeakPolarHBondContact O-CB 3.38Å; P261-I266 PolarHBondContact O-N 3.12Å; P261-V268 HydrophobicContact CB-CG1 4.29Å; P261-V268 HydrophobicContact CG-CG1 3.87Å
262E97.4Very high96.7Very high114 Ų11458.8 Ų58.853%0.53332%0.324SS..G310 helixtrans-55.8-35.7174.765.6-78.1-17600113.1H260 A264 G265H260-E262 WeakPolarHBondContact CA-OE1 3.36Å; H260-E262 WeakPolarHBondContact CA-OE2 3.4Å; H260-E262 WeakPolarHBondContact CB-OE1 3.34Å; H260-E262 IonicContact CG-OE1 3.75Å; H260-E262 IonicContact ND1-OE1 3.49Å; H260-E262 PolarHBondContact ND1-OE1 3.5Å; H260-E262 PolarHBondContact O-N 2.68Å; E262-A264 PolarHBondContact O-N 2.76Å; E262-G265 PolarHBondContact O-N 3.05Å; E262-G265 VanDerWaalsContact O-N 3.12Å
263N97.8Very high96.8Very high82 Ų8256.5 Ų56.544%0.43932%0.316SS..G310 helixtrans-66.8-25.7179.9-67.9-17.4000111.9F101 N103 H260 P261F101-N263 HydrophobicContact CB-CB 4.17Å; F101-N263 WeakPolarHBondContact O-CB 3.46Å; F101-N263 PolarHBondContact O-ND2 3.3Å; N103-N263 WeakPolarHBondContact CA-O 3.32Å; H260-N263 WeakPolarHBondContact CB-ND2 3.12Å; H260-N263 WeakPolarHBondContact O-CB 3.4Å; H260-N263 PolarHBondContact O-N 2.92Å; P261-N263 PolarHBondContact O-N 2.84Å
264A97.7Very high97Very high7 Ų752.9 Ų52.96%0.05830%0.299CS..G310 helixtrans-97.62.817700000113.6F101 N104 P261 E262 I266 I287F101-A264 HydrophobicContact CB-CB 3.9Å; F101-A264 HydrophobicContact CD1-CB 3.59Å; F101-A264 HydrophobicContact CD2-CB 4.22Å; F101-A264 HydrophobicContact CE1-CB 4.13Å; F101-A264 HydrophobicContact CG-CB 3.65Å; N104-A264 HydrophobicContact CB-CB 4.34Å; P261-A264 PolarHBondContact O-N 2.88Å; P261-A264 VanDerWaalsContact O-N 3.08Å; E262-A264 PolarHBondContact O-N 2.76Å; A264-I266 VanDerWaalsContact C-N 3.31Å; A264-I266 HydrophobicContact CB-CD1 3.77Å; A264-I266 HydrophobicContact CB-CG1 3.89Å; A264-I287 HydrophobicContact CB-CD1 3.91Å
265G97.4Very high97Very high50 Ų5055.5 Ų55.552%0.51531%0.314SS..THydrogen-bonded Turntrans71.324.7-175.100000113.7P261 E262 T283P261-G265 PolarHBondContact O-N 3.49Å; E262-G265 PolarHBondContact O-N 3.05Å; E262-G265 VanDerWaalsContact O-N 3.12Å; G265-T283 PolarHBondContact O-OG1 3.2Å
266I98.4Very high97Very high8 Ų856.6 Ų56.64%0.04132%0.319CS..  trans-90.7120.9-178.9-59.3169.4000109.7F101 I125 P261 A264 I274 T282 T283 A284 I287F101-I266 HydrophobicContact CD2-CD1 4.31Å; F101-I266 HydrophobicContact CE1-CD1 4.42Å; F101-I266 HydrophobicContact CE2-CD1 3.79Å; F101-I266 HydrophobicContact CZ-CD1 3.86Å; I125-I266 HydrophobicContact CD1-CD1 3.75Å; P261-I266 HydrophobicContact CB-CB 3.81Å; P261-I266 HydrophobicContact CB-CG2 4.06Å; P261-I266 WeakPolarHBondContact O-CB 3.38Å; P261-I266 PolarHBondContact O-N 3.12Å; A264-I266 VanDerWaalsContact C-N 3.31Å; A264-I266 HydrophobicContact CB-CD1 3.77Å; A264-I266 HydrophobicContact CB-CG1 3.89Å; I266-I274 HydrophobicContact CG2-CD1 4.47Å; I266-I274 HydrophobicContact CG2-CG1 4.38Å; I266-I274 HydrophobicContact CG2-CG2 3.64Å; I266-T282 HydrophobicContact CG2-CG2 4.36Å; I266-T283 VanDerWaalsContact CA-OG1 3.31Å; I266-T283 WeakPolarHBondContact CA-OG1 3.18Å; I266-A284 HydrophobicContact CG1-CB 4.21Å; I266-I287 HydrophobicContact CD1-CD1 3.76Å; I266-I287 HydrophobicContact CD1-CG2 3.94Å; I266-I287 HydrophobicContact CG1-CD1 4.19Å
267A98.1Very high97Very high40 Ų4059.4 Ų59.433%0.33133%0.334SS..  trans-76.8139.6175.500000111.6V275 T283A267-V275 HydrophobicContact CB-CB 4.27Å; A267-V275 HydrophobicContact CB-CG2 4.27Å; A267-V275 PolarHBondContact O-N 3.2Å; A267-T283 HydrophobicContact CB-CG2 3.61Å; A267-T283 PolarHBondContact N-OG1 3.1Å
268V98.1Very high97.2Very high63 Ų6360.8 Ų60.838%0.38233%0.325SS..BIsolated β-bridgetrans-120.7146.7170.2-640000110.1P261 A273 I274P261-V268 HydrophobicContact CB-CG1 4.29Å; P261-V268 HydrophobicContact CG-CG1 3.87Å; V268-A273 CarbonylContact C-O 3.48Å; V268-A273 WeakPolarHBondContact CA-O 3.35Å; V268-I274 HydrophobicContact CG1-CG1 4.34Å
269N97Very high97.2Very high75 Ų7562.1 Ų62.140%0.40133%0.327SS..  trans-81.3179.8174.97217.3000112R271 G272 A273 V275N269-R271 PolarHBondContact O-N 3.17Å; N269-R271 WeakPolarHBondContact OD1-CA 3.36Å; N269-R271 PolarHBondContact OD1-N 3.46Å; N269-G272 WeakPolarHBondContact O-CA 3.37Å; N269-G272 PolarHBondContact O-N 3Å; N269-G272 PolarHBondContact OD1-N 3.25Å; N269-A273 PolarHBondContact N-O 3.15Å; N269-A273 WeakPolarHBondContact ND2-CB 3.2Å; N269-A273 WeakPolarHBondContact OD1-CB 3.44Å; N269-A273 PolarHBondContact OD1-N 3.19Å; N269-V275 HydrophobicContact CB-CG2 4.3Å
270E94.5Very high97.3Very high211 Ų21162.1 Ų62.199%0.98633%0.327SS*.THydrogen-bonded Turntrans-57.8-22.3-179-61.4177.3-17900114.4G272E270-G272 VanDerWaalsContact C-N 3.34Å
271R93Very high97.3Very high194 Ų19460.9 Ų60.973%0.73232%0.321SS*.THydrogen-bonded Turntrans-92.96.1176.3-62.4-175.8178.3177.80.9112.9N269 A273N269-R271 PolarHBondContact O-N 3.17Å; N269-R271 WeakPolarHBondContact OD1-CA 3.36Å; N269-R271 PolarHBondContact OD1-N 3.46Å; R271-A273 VanDerWaalsContact C-N 3.27Å; R271-A273 PolarHBondContact O-N 2.89Å
272G96.4Very high97.3Very high20 Ų2061.1 Ų61.121%0.20632%0.322CS..SBendtrans74.511.2-175.100000114.2T256 N269 E270T256-G272 WeakPolarHBondContact CB-O 3.24Å; T256-G272 WeakPolarHBondContact CG2-O 3.46Å; T256-G272 PolarHBondContact OG1-O 3.27Å; N269-G272 WeakPolarHBondContact O-CA 3.37Å; N269-G272 PolarHBondContact O-N 3Å; N269-G272 PolarHBondContact OD1-N 3.25Å; E270-G272 VanDerWaalsContact C-N 3.34Å
273A97.9Very high97.4Very high1 Ų159.2 Ų59.21%0.00832%0.318CS..PPolyproline II helixtrans-76.8138.8178.300000111.1P254 V268 N269 R271 V275 V293P254-A273 HydrophobicContact CB-CB 4.38Å; P254-A273 HydrophobicContact CG-CB 3.6Å; V268-A273 CarbonylContact C-O 3.48Å; V268-A273 WeakPolarHBondContact CA-O 3.35Å; N269-A273 PolarHBondContact N-O 3.15Å; N269-A273 WeakPolarHBondContact ND2-CB 3.2Å; N269-A273 WeakPolarHBondContact OD1-CB 3.44Å; N269-A273 PolarHBondContact OD1-N 3.19Å; R271-A273 VanDerWaalsContact C-N 3.27Å; R271-A273 PolarHBondContact O-N 2.89Å; A273-V275 PolarHBondContact O-N 3.46Å; A273-V293 WeakPolarHBondContact CA-O 3.25Å
274I98.6Very high97.4Very high3 Ų355.7 Ų55.72%0.01530%0.301CS..BIsolated β-bridgetrans-66.2124.6175.4-61.8-177.6000108.9I125 T256 I266 V268 V276 T282 A289 V293I125-I274 HydrophobicContact CB-CD1 4.12Å; I125-I274 HydrophobicContact CD1-CD1 3.44Å; I125-I274 VanDerWaalsContact CD1-CD1 3.44Å; I125-I274 HydrophobicContact CG1-CD1 4.38Å; I125-I274 HydrophobicContact CG2-CD1 3.74Å; T256-I274 HydrophobicContact CG2-CD1 4.12Å; T256-I274 HydrophobicContact CG2-CG1 3.69Å; I266-I274 HydrophobicContact CG2-CD1 4.47Å; I266-I274 HydrophobicContact CG2-CG1 4.38Å; I266-I274 HydrophobicContact CG2-CG2 3.64Å; V268-I274 HydrophobicContact CG1-CG1 4.34Å; I274-V276 HydrophobicContact CG2-CG1 4.06Å; I274-V276 PolarHBondContact O-N 2.99Å; I274-T282 HydrophobicContact CG2-CG2 3.53Å; I274-A289 HydrophobicContact CB-CB 4.05Å; I274-A289 HydrophobicContact CD1-CB 4.02Å; I274-A289 HydrophobicContact CG2-CB 3.76Å; I274-V293 HydrophobicContact CD1-CG2 3.83Å; I274-V293 HydrophobicContact CG1-CG2 4.08Å; I274-V293 PolarHBondContact N-O 2.88Å
275V98.2Very high97.2Very high65 Ų6562.8 Ų62.839%0.39434%0.338SS..PPolyproline II helixtrans-72.7123.8175.71800000108.1A267 N269 A273A267-V275 HydrophobicContact CB-CB 4.27Å; A267-V275 HydrophobicContact CB-CG2 4.27Å; A267-V275 PolarHBondContact O-N 3.2Å; N269-V275 HydrophobicContact CB-CG2 4.3Å; A273-V275 PolarHBondContact O-N 3.46Å
276V98.3Very high97.2Very high42 Ų4261.1 Ų61.126%0.25532%0.317SS..  trans-130.8154.3177.7-63.40000112.3I274 L280 H281 T282 A289 T294I274-V276 HydrophobicContact CG2-CG1 4.06Å; I274-V276 PolarHBondContact O-N 2.99Å; V276-L280 HydrophobicContact CG2-CD2 4.07Å; V276-H281 CarbonylContact C-O 3.58Å; V276-H281 WeakPolarHBondContact CA-O 3.2Å; V276-H281 WeakPolarHBondContact CB-O 3.24Å; V276-T282 HydrophobicContact CG1-CG2 4.2Å; V276-A289 HydrophobicContact CG1-CB 3.8Å; V276-T294 HydrophobicContact CG1-CG2 4.19Å; V276-T294 HydrophobicContact CG2-CG2 3.93Å
277D97.3Very high97.2Very high70 Ų7060.7 Ų60.737%0.37432%0.315SS..  trans-79.5-171168.775.95.5000112.3Q279 L280 H281D277-Q279 VanDerWaalsContact C-N 3.26Å; D277-Q279 PolarHBondContact O-N 3.42Å; D277-Q279 VanDerWaalsContact OD1-C 3.28Å; D277-Q279 WeakPolarHBondContact OD1-CA 3.1Å; D277-Q279 PolarHBondContact OD1-N 2.87Å; D277-L280 PolarHBondContact O-N 2.64Å; D277-L280 PolarHBondContact OD1-N 2.9Å; D277-H281 PolarHBondContact N-O 2.62Å; D277-H281 IonicContact OD1-CG 2.89Å; D277-H281 PolarHBondContact OD1-N 3.42Å; D277-H281 IonicContact OD1-ND1 2.67Å; D277-H281 PolarHBondContact OD1-ND1 2.74Å; D277-H281 IonicContact OD2-CG 3.19Å; D277-H281 IonicContact OD2-ND1 2.82Å; D277-H281 PolarHBondContact OD2-ND1 3.3Å
278K96.5Very high97.3Very high105 Ų10559.1 Ų59.146%0.45730%0.3SS..THydrogen-bonded Turntrans-74.6-15.2-178.1-64.9172.6169.9-169.90113.9S321 T322 D323K278-S321 WeakPolarHBondContact O-CA 3.38Å; K278-S321 WeakPolarHBondContact O-CB 3.3Å; K278-T322 WeakPolarHBondContact CA-OG1 3.35Å; K278-T322 PolarHBondContact O-N 3.07Å; K278-T322 PolarHBondContact O-OG1 2.96Å; K278-D323 VanDerWaalsContact CD-OD2 3.24Å; K278-D323 WeakPolarHBondContact CD-OD2 3.28Å; K278-D323 VanDerWaalsContact CE-OD1 3.24Å; K278-D323 WeakPolarHBondContact CE-OD1 3.38Å; K278-D323 WeakPolarHBondContact CE-OD2 3.16Å; K278-D323 IonicContact NZ-OD1 3.74Å; K278-D323 PolarHBondContact NZ-OD1 3.19Å; K278-D323 IonicContact NZ-OD2 3.76Å; K278-D323 PolarHBondContact NZ-OD2 2.77Å
279Q96.9Very high97.3Very high73 Ų7356.1 Ų56.134%0.34128%0.282SS..THydrogen-bonded Turntrans-1000.2175.3-73.480.1-0.200111.7D277 H281D277-Q279 VanDerWaalsContact C-N 3.26Å; D277-Q279 PolarHBondContact O-N 3.42Å; D277-Q279 VanDerWaalsContact OD1-C 3.28Å; D277-Q279 WeakPolarHBondContact OD1-CA 3.1Å; D277-Q279 PolarHBondContact OD1-N 2.87Å; Q279-H281 VanDerWaalsContact CB-CE1 3.49Å; Q279-H281 WeakPolarHBondContact CB-CE1 3.46Å
280L98.2Very high97.4Very high4 Ų452.5 Ų52.52%0.02126%0.263CS..  trans76.918.6177.1-51.6169.6000114.7V276 D277 W288 A289 M290 D306 I309 V310 T322V276-L280 HydrophobicContact CG2-CD2 4.07Å; D277-L280 PolarHBondContact O-N 2.64Å; D277-L280 PolarHBondContact OD1-N 2.9Å; L280-W288 VanDerWaalsContact O-CA 3.26Å; L280-W288 WeakPolarHBondContact O-CA 3.4Å; L280-W288 WeakPolarHBondContact O-CB 2.97Å; L280-A289 PolarHBondContact O-N 2.76Å; L280-A289 VanDerWaalsContact O-N 3.09Å; L280-M290 HydrophobicContact CD1-CG 4.23Å; L280-D306 HydrophobicContact CD1-CB 3.47Å; L280-D306 VanDerWaalsContact CD1-CB 3.47Å; L280-I309 HydrophobicContact CD1-CB 4.17Å; L280-I309 HydrophobicContact CD1-CD1 4.25Å; L280-I309 HydrophobicContact CD1-CG2 4.25Å; L280-I309 HydrophobicContact CG-CG2 4.45Å; L280-V310 HydrophobicContact CB-CG2 4.28Å; L280-V310 HydrophobicContact CD1-CG2 4.1Å; L280-T322 HydrophobicContact CD2-CG2 3.84Å; L280-T322 HydrophobicContact CG-CG2 4.39Å
281H98.3Very high97.5Very high44 Ų4442.5 Ų42.520%0.20422%0.217CC..BIsolated β-bridgetrans-68.6136.6168-56.2104.4000110V276 D277 Q279 W288 E313V276-H281 CarbonylContact C-O 3.58Å; V276-H281 WeakPolarHBondContact CA-O 3.2Å; V276-H281 WeakPolarHBondContact CB-O 3.24Å; D277-H281 PolarHBondContact N-O 2.62Å; D277-H281 IonicContact OD1-CG 2.89Å; D277-H281 PolarHBondContact OD1-N 3.42Å; D277-H281 IonicContact OD1-ND1 2.67Å; D277-H281 PolarHBondContact OD1-ND1 2.74Å; D277-H281 IonicContact OD2-CG 3.19Å; D277-H281 IonicContact OD2-ND1 2.82Å; D277-H281 PolarHBondContact OD2-ND1 3.3Å; Q279-H281 VanDerWaalsContact CB-CE1 3.49Å; Q279-H281 WeakPolarHBondContact CB-CE1 3.46Å; H281-W288 AromaticContact CD2-CD1 3.72Å; H281-W288 AromaticContact CD2-CE2 3.5Å; H281-W288 AromaticContact CD2-CZ2 3.83Å; H281-W288 AromaticContact CD2-NE1 3.06Å; H281-W288 PolarHBondContact CD2-NE1 3.5Å; H281-W288 AromaticContact CG-NE1 3.98Å; H281-W288 AromaticContact NE2-CE2 3.77Å; H281-W288 AromaticContact NE2-CZ2 3.9Å; H281-W288 AromaticContact NE2-NE1 3.19Å; H281-W288 PolarHBondContact NE2-NE1 3.28Å; H281-W288 VanDerWaalsContact NE2-NE1 3.19Å; H281-E313 IonicContact CE1-OE1 3.61Å; H281-E313 IonicContact CE1-OE2 3.54Å; H281-E313 PolarHBondContact CE1-OE2 2.8Å; H281-E313 IonicContact NE2-OE1 3.03Å; H281-E313 PolarHBondContact NE2-OE1 2.98Å; H281-E313 IonicContact NE2-OE2 3.08Å; H281-E313 PolarHBondContact NE2-OE2 2.79Å
282T98.5Very high97.8Very high12 Ų1234.4 Ų34.47%0.07419%0.188CC..  trans-77.5-176.2166.372.60000110.5I266 I274 V276 A284 I287 A289I266-T282 HydrophobicContact CG2-CG2 4.36Å; I274-T282 HydrophobicContact CG2-CG2 3.53Å; V276-T282 HydrophobicContact CG1-CG2 4.2Å; T282-A284 PolarHBondContact O-N 3.25Å; T282-A284 PolarHBondContact OG1-N 3.31Å; T282-A284 VanDerWaalsContact OG1-N 3.17Å; T282-A284 PolarHBondContact OG1-O 3.09Å; T282-I287 WeakPolarHBondContact CB-O 3.42Å; T282-I287 HydrophobicContact CG2-CB 4.45Å; T282-I287 HydrophobicContact CG2-CG2 4.06Å; T282-I287 WeakPolarHBondContact CG2-O 3.3Å; T282-I287 PolarHBondContact N-O 3.34Å; T282-I287 WeakPolarHBondContact OG1-CB 3.4Å; T282-I287 PolarHBondContact OG1-O 3.3Å; T282-A289 HydrophobicContact CG2-CB 3.89Å
283T97.9Very high97.9Very high74 Ų7433.5 Ų33.545%0.45418%0.178SC..SBendtrans-69.8-4.6171.554.10000114.3G265 I266 A267G265-T283 PolarHBondContact O-OG1 3.2Å; I266-T283 VanDerWaalsContact CA-OG1 3.31Å; I266-T283 WeakPolarHBondContact CA-OG1 3.18Å; A267-T283 HydrophobicContact CB-CG2 3.61Å; A267-T283 PolarHBondContact N-OG1 3.1Å
284A97.9Very high97.9Very high9 Ų934.9 Ų34.97%0.07419%0.187CC..SBendtrans-104.4127.6171.300000110.7I266 T282 N286 I287I266-A284 HydrophobicContact CG1-CB 4.21Å; T282-A284 PolarHBondContact O-N 3.25Å; T282-A284 PolarHBondContact OG1-N 3.31Å; T282-A284 VanDerWaalsContact OG1-N 3.17Å; T282-A284 PolarHBondContact OG1-O 3.09Å; A284-N286 PolarHBondContact O-N 2.94Å; A284-I287 HydrophobicContact CB-CB 4.24Å; A284-I287 HydrophobicContact CB-CD1 3.94Å; A284-I287 HydrophobicContact CB-CG1 4.04Å; A284-I287 PolarHBondContact O-N 2.82Å; A284-I287 VanDerWaalsContact O-N 3.08Å
285D94.2Very high97.7Very high155 Ų15536.5 Ų36.583%0.82920%0.204SC*.THydrogen-bonded Turntrans-57.2-23.1-169.5-63.8-19.3000115.6
286N97.7Very high97.3Very high15 Ų1535.6 Ų35.68%0.0821%0.208CC..THydrogen-bonded Turntrans-112.113.3-175.172.2-69.1000113.3N104 H105 E121 K122 I123 A284 W288N104-N286 PolarHBondContact ND2-OD1 3.29Å; N104-N286 PolarHBondContact O-ND2 3.22Å; H105-N286 VanDerWaalsContact CE1-CG 3.49Å; H105-N286 PolarHBondContact CE1-ND2 3.47Å; H105-N286 VanDerWaalsContact CE1-ND2 3.25Å; H105-N286 PolarHBondContact ND1-ND2 2.96Å; E121-N286 PolarHBondContact O-ND2 3.14Å; K122-N286 WeakPolarHBondContact CA-O 3.46Å; I123-N286 PolarHBondContact N-O 3.42Å; A284-N286 PolarHBondContact O-N 2.94Å; N286-W288 VanDerWaalsContact C-CZ3 3.41Å; N286-W288 VanDerWaalsContact O-CZ3 3.24Å; N286-W288 WeakPolarHBondContact O-CZ3 3.48Å
287I98.7Very high96.9Very high0 Ų037.8 Ų37.80%022%0.218CC..EExtended strand (participates in β ladder)trans-130128.2-174.4-48.5-176.3000110.7F101 N104 I123 I125 A264 I266 T282 A284F101-I287 HydrophobicContact CE1-CD1 3.8Å; F101-I287 HydrophobicContact CZ-CD1 4.25Å; F101-I287 HydrophobicContact CZ-CG2 4.46Å; N104-I287 HydrophobicContact CB-CD1 4.14Å; I123-I287 HydrophobicContact CB-CG1 4.15Å; I123-I287 HydrophobicContact CB-CG2 4.28Å; I123-I287 HydrophobicContact CG2-CG2 4.43Å; I123-I287 VanDerWaalsContact O-CA 3.28Å; I123-I287 WeakPolarHBondContact O-CA 3.27Å; I125-I287 HydrophobicContact CD1-CG2 3.78Å; I125-I287 HydrophobicContact CG1-CG2 4.09Å; A264-I287 HydrophobicContact CB-CD1 3.91Å; I266-I287 HydrophobicContact CD1-CD1 3.76Å; I266-I287 HydrophobicContact CD1-CG2 3.94Å; I266-I287 HydrophobicContact CG1-CD1 4.19Å; T282-I287 WeakPolarHBondContact CB-O 3.42Å; T282-I287 HydrophobicContact CG2-CB 4.45Å; T282-I287 HydrophobicContact CG2-CG2 4.06Å; T282-I287 WeakPolarHBondContact CG2-O 3.3Å; T282-I287 PolarHBondContact N-O 3.34Å; T282-I287 WeakPolarHBondContact OG1-CB 3.4Å; T282-I287 PolarHBondContact OG1-O 3.3Å; A284-I287 HydrophobicContact CB-CB 4.24Å; A284-I287 HydrophobicContact CB-CD1 3.94Å; A284-I287 HydrophobicContact CB-CG1 4.04Å; A284-I287 PolarHBondContact O-N 2.82Å; A284-I287 VanDerWaalsContact O-N 3.08Å
288W98.7Very high96.7Very high6 Ų637.5 Ų37.52%0.02321%0.214CC..EExtended strand (participates in β ladder)trans-112.2154.9174.1-64.2-104000110.4K122 I123 F124 I125 L280 H281 N286 V310 E313 L314K122-W288 HydrophobicContact CB-CH2 4.5Å; K122-W288 HydrophobicContact CB-CZ3 3.74Å; K122-W288 HydrophobicContact CD-CH2 3.83Å; K122-W288 HydrophobicContact CD-CZ3 3.91Å; K122-W288 HydrophobicContact CG-CH2 4.17Å; K122-W288 HydrophobicContact CG-CZ3 3.88Å; I123-W288 PolarHBondContact O-N 2.93Å; F124-W288 WeakPolarHBondContact CA-O 3.48Å; F124-W288 HydrophobicContact CD1-CB 3.81Å; F124-W288 HydrophobicContact CD1-CD2 4.24Å; F124-W288 HydrophobicContact CD1-CE3 4.05Å; F124-W288 HydrophobicContact CD1-CG 4.17Å; F124-W288 HydrophobicContact CE1-CB 4.17Å; F124-W288 AromaticContact CE1-CD2 3.72Å; F124-W288 HydrophobicContact CE1-CD2 3.72Å; F124-W288 AromaticContact CE1-CE3 3.5Å; F124-W288 HydrophobicContact CE1-CE3 3.5Å; F124-W288 HydrophobicContact CE1-CG 4.01Å; F124-W288 HydrophobicContact CE1-CZ3 4.24Å; F124-W288 HydrophobicContact CZ-CD2 4.48Å; F124-W288 AromaticContact CZ-CE3 3.91Å; F124-W288 HydrophobicContact CZ-CE3 3.91Å; F124-W288 HydrophobicContact CZ-CZ3 4.23Å; I125-W288 PolarHBondContact N-O 2.91Å; L280-W288 VanDerWaalsContact O-CA 3.26Å; L280-W288 WeakPolarHBondContact O-CA 3.4Å; L280-W288 WeakPolarHBondContact O-CB 2.97Å; H281-W288 AromaticContact CD2-CD1 3.72Å; H281-W288 AromaticContact CD2-CE2 3.5Å; H281-W288 AromaticContact CD2-CZ2 3.83Å; H281-W288 AromaticContact CD2-NE1 3.06Å; H281-W288 PolarHBondContact CD2-NE1 3.5Å; H281-W288 AromaticContact CG-NE1 3.98Å; H281-W288 AromaticContact NE2-CE2 3.77Å; H281-W288 AromaticContact NE2-CZ2 3.9Å; H281-W288 AromaticContact NE2-NE1 3.19Å; H281-W288 PolarHBondContact NE2-NE1 3.28Å; H281-W288 VanDerWaalsContact NE2-NE1 3.19Å; N286-W288 VanDerWaalsContact C-CZ3 3.41Å; N286-W288 VanDerWaalsContact O-CZ3 3.24Å; N286-W288 WeakPolarHBondContact O-CZ3 3.48Å; W288-V310 HydrophobicContact CG-CG2 4.47Å; W288-E313 WeakPolarHBondContact CZ2-OE1 3.47Å; W288-E313 PolarHBondContact NE1-OE1 2.87Å; W288-E313 PolarHBondContact NE1-OE2 3.07Å; W288-E313 VanDerWaalsContact NE1-OE2 3.14Å; W288-L314 HydrophobicContact CZ2-CD2 4.39Å
289A98.7Very high96.6Very high0 Ų034.5 Ų34.50%020%0.201CC..EExtended strand (participates in β ladder)trans-131.1134.9171.800000111.5I125 I274 V276 L280 T282 V293 T294I125-A289 HydrophobicContact CB-CB 4.14Å; I125-A289 WeakPolarHBondContact O-CA 3.41Å; I274-A289 HydrophobicContact CB-CB 4.05Å; I274-A289 HydrophobicContact CD1-CB 4.02Å; I274-A289 HydrophobicContact CG2-CB 3.76Å; V276-A289 HydrophobicContact CG1-CB 3.8Å; L280-A289 PolarHBondContact O-N 2.76Å; L280-A289 VanDerWaalsContact O-N 3.09Å; T282-A289 HydrophobicContact CG2-CB 3.89Å; A289-V293 HydrophobicContact CB-CG1 4.06Å; A289-T294 HydrophobicContact CB-CG2 4.12Å; A289-T294 WeakPolarHBondContact O-CG2 3.27Å
290M98.6Very high96.4Very high0 Ų033.2 Ų33.20%020%0.198CC..  trans-134.3147.2-172.3-60.5172-71.400111.1A14 L18 F124 I125 N126 L280 V293 D306 V310A14-M290 HydrophobicContact CB-CB 3.7Å; A14-M290 HydrophobicContact CB-CE 4.07Å; A14-M290 HydrophobicContact CB-CG 4.38Å; A14-M290 HydrophobicContact CB-SD 3.83Å; L18-M290 HydrophobicContact CD2-CE 3.81Å; L18-M290 HydrophobicContact CD2-SD 4.35Å; F124-M290 HydrophobicContact CB-CE 3.76Å; F124-M290 HydrophobicContact CD1-CE 4.14Å; F124-M290 HydrophobicContact CG-CE 4.33Å; I125-M290 PolarHBondContact O-N 2.96Å; N126-M290 PolarHBondContact ND2-O 3.22Å; L280-M290 HydrophobicContact CD1-CG 4.23Å; M290-V293 WeakPolarHBondContact O-CG1 3.18Å; M290-D306 HydrophobicContact CB-CB 3.79Å; M290-D306 HydrophobicContact CG-CB 3.98Å; M290-V310 HydrophobicContact CG-CG2 3.98Å; M290-V310 HydrophobicContact SD-CB 4.07Å; M290-V310 HydrophobicContact SD-CG1 4.42Å; M290-V310 HydrophobicContact SD-CG2 3.68Å
291G98Very high96.2Very high1 Ų137.3 Ų37.31%0.0121%0.214CC..G310 helixtrans76.3-156.4178.900000113.2V293 T294 D306G291-V293 PolarHBondContact O-N 3.32Å; G291-T294 PolarHBondContact O-N 3.33Å; G291-T294 PolarHBondContact O-OG1 3.24Å; G291-D306 WeakPolarHBondContact CA-OD2 3.3Å; G291-D306 PolarHBondContact N-OD2 2.86Å
292D97.6Very high96.1Very high24 Ų2435.8 Ų35.813%0.12821%0.207CC..G310 helixtrans-56.1-23.4-168.9-49.90.2000114.5A129 T294 G295 Q298A129-D292 HydrophobicContact CB-CB 3.84Å; D292-T294 PolarHBondContact O-N 3.27Å; D292-T294 VanDerWaalsContact O-N 3.17Å; D292-G295 PolarHBondContact O-N 3.17Å; D292-Q298 HydrophobicContact CB-CB 4.24Å; D292-Q298 HydrophobicContact CB-CG 3.85Å; D292-Q298 WeakPolarHBondContact OD1-CA 3.35Å
293V98.3Very high96Very high0 Ų035.5 Ų35.50%021%0.206CC..G310 helixtrans-61.8-21.817974.20000112.9I125 T127 G128 T256 A273 I274 A289 M290 G291 G295I125-V293 HydrophobicContact CG2-CG1 4.28Å; I125-V293 HydrophobicContact CG2-CG2 4.1Å; T127-V293 VanDerWaalsContact OG1-CG2 3.31Å; T127-V293 WeakPolarHBondContact OG1-CG2 3.28Å; G128-V293 WeakPolarHBondContact O-CA 3.48Å; G128-V293 PolarHBondContact O-N 2.89Å; T256-V293 HydrophobicContact CG2-CG2 3.44Å; T256-V293 VanDerWaalsContact CG2-CG2 3.44Å; A273-V293 WeakPolarHBondContact CA-O 3.25Å; I274-V293 HydrophobicContact CD1-CG2 3.83Å; I274-V293 HydrophobicContact CG1-CG2 4.08Å; I274-V293 PolarHBondContact N-O 2.88Å; A289-V293 HydrophobicContact CB-CG1 4.06Å; M290-V293 WeakPolarHBondContact O-CG1 3.18Å; G291-V293 PolarHBondContact O-N 3.32Å; V293-G295 VanDerWaalsContact C-N 3.33Å
294T97.9Very high96Very high30 Ų3033.9 Ų33.918%0.18419%0.194CC..G310 helixtrans-82.3-8.6176.465.20000113.2V276 A289 G291 D292 G296V276-T294 HydrophobicContact CG1-CG2 4.19Å; V276-T294 HydrophobicContact CG2-CG2 3.93Å; A289-T294 HydrophobicContact CB-CG2 4.12Å; A289-T294 WeakPolarHBondContact O-CG2 3.27Å; G291-T294 PolarHBondContact O-N 3.33Å; G291-T294 PolarHBondContact O-OG1 3.24Å; D292-T294 PolarHBondContact O-N 3.27Å; D292-T294 VanDerWaalsContact O-N 3.17Å; T294-G296 VanDerWaalsContact C-N 3.3Å; T294-G296 PolarHBondContact O-N 3.17Å
295G94.3Very high96Very high38 Ų3834.3 Ų34.339%0.39220%0.195SC..SBendtrans79.52.5176.800000115.7D292 V293D292-G295 PolarHBondContact O-N 3.17Å; V293-G295 VanDerWaalsContact C-N 3.33Å
296G90.5Very high96.2Very high45 Ų4527 Ų2746%0.46416%0.156SC..SBendtrans-74.3-155.517400000114.2T294 Q298T294-G296 VanDerWaalsContact C-N 3.3Å; T294-G296 PolarHBondContact O-N 3.17Å; G296-Q298 PolarHBondContact O-N 2.93Å
297L90.8Very high96.2Very high88 Ų8827.3 Ų27.346%0.46116%0.156SC..  trans-64.4117.8175.8-66.7178.5000111.1F299 I302 V328L297-F299 VanDerWaalsContact C-N 3.28Å; L297-F299 HydrophobicContact CB-CD2 3.85Å; L297-F299 HydrophobicContact CB-CE2 4.06Å; L297-F299 HydrophobicContact CD1-CE2 4.42Å; L297-F299 HydrophobicContact CD2-CE2 4.19Å; L297-F299 HydrophobicContact CG-CE2 4.46Å; L297-F299 PolarHBondContact O-N 3.16Å; L297-I302 HydrophobicContact CB-CG1 4.04Å; L297-I302 WeakPolarHBondContact O-CG2 3.42Å; L297-V328 HydrophobicContact CD1-CB 4.19Å; L297-V328 HydrophobicContact CD1-CG1 3.87Å; L297-V328 HydrophobicContact CD1-CG2 4.4Å
298Q93.2Very high96.2Very high65 Ų6532.5 Ų32.530%0.30418%0.176SC..  trans-85.558.4-172.4-59.5-176.912.100112.7D292 G296D292-Q298 HydrophobicContact CB-CB 4.24Å; D292-Q298 HydrophobicContact CB-CG 3.85Å; D292-Q298 WeakPolarHBondContact OD1-CA 3.35Å; G296-Q298 PolarHBondContact O-N 2.93Å
299F93.2Very high96.2Very high42 Ų4232.3 Ų32.318%0.18418%0.175CC..  trans-114.5145-179.9-57.7-60.2000112.3L297 Y301 I302 S303 Y330L297-F299 VanDerWaalsContact C-N 3.28Å; L297-F299 HydrophobicContact CB-CD2 3.85Å; L297-F299 HydrophobicContact CB-CE2 4.06Å; L297-F299 HydrophobicContact CD1-CE2 4.42Å; L297-F299 HydrophobicContact CD2-CE2 4.19Å; L297-F299 HydrophobicContact CG-CE2 4.46Å; L297-F299 PolarHBondContact O-N 3.16Å; F299-Y301 HydrophobicContact CB-CD1 4.2Å; F299-Y301 HydrophobicContact CB-CD2 4.05Å; F299-Y301 HydrophobicContact CB-CE1 3.7Å; F299-Y301 HydrophobicContact CB-CE2 3.55Å; F299-Y301 HydrophobicContact CB-CG 4.35Å; F299-Y301 WeakPolarHBondContact CD1-OH 3.47Å; F299-Y301 AromaticContact CD2-CE2 3.9Å; F299-Y301 HydrophobicContact CD2-CE2 3.9Å; F299-Y301 AromaticContact CD2-CZ 3.82Å; F299-Y301 WeakPolarHBondContact CD2-OH 3.19Å; F299-Y301 HydrophobicContact CG-CE1 4.17Å; F299-Y301 AromaticContact CG-CE2 3.92Å; F299-Y301 HydrophobicContact CG-CE2 3.92Å; F299-Y301 AromaticContact CG-CZ 3.51Å; F299-Y301 WeakPolarHBondContact CG-OH 3.49Å; F299-Y301 PolarHBondContact O-N 2.95Å; F299-I302 HydrophobicContact CB-CB 4.4Å; F299-I302 HydrophobicContact CB-CG1 4.01Å; F299-I302 HydrophobicContact CD2-CG1 4.22Å; F299-I302 WeakPolarHBondContact O-CA 3.12Å; F299-I302 WeakPolarHBondContact O-CB 3.39Å; F299-I302 PolarHBondContact O-N 2.77Å; F299-S303 PolarHBondContact O-N 3.27Å; F299-Y330 HydrophobicContact CE1-CG 4.31Å; F299-Y330 HydrophobicContact CE2-CD1 4.29Å; F299-Y330 HydrophobicContact CE2-CG 4.12Å; F299-Y330 HydrophobicContact CZ-CD1 4.14Å; F299-Y330 HydrophobicContact CZ-CD2 4.16Å; F299-Y330 AromaticContact CZ-CG 3.61Å; F299-Y330 HydrophobicContact CZ-CG 3.61Å
300T93.7Very high96.1Very high45 Ų4532.3 Ų32.328%0.27618%0.175SC..Hα-helixtrans-57.4-36-179.4-62.70000112.6K13 C43 L304K13-T300 HydrophobicContact CB-CG2 3.97Å; K13-T300 HydrophobicContact CD-CG2 4.19Å; K13-T300 HydrophobicContact CG-CG2 3.8Å; C43-T300 HydrophobicContact CB-CG2 4.35Å; T300-L304 PolarHBondContact O-N 3.36Å
301Y93.7Very high96.1Very high90 Ų9036.9 Ų36.935%0.35319%0.192SC..Hα-helixtrans-77.6-22177.246.5-94.1000113.4F299 D305 V328 P329 Y330F299-Y301 HydrophobicContact CB-CD1 4.2Å; F299-Y301 HydrophobicContact CB-CD2 4.05Å; F299-Y301 HydrophobicContact CB-CE1 3.7Å; F299-Y301 HydrophobicContact CB-CE2 3.55Å; F299-Y301 HydrophobicContact CB-CG 4.35Å; F299-Y301 WeakPolarHBondContact CD1-OH 3.47Å; F299-Y301 AromaticContact CD2-CE2 3.9Å; F299-Y301 HydrophobicContact CD2-CE2 3.9Å; F299-Y301 AromaticContact CD2-CZ 3.82Å; F299-Y301 WeakPolarHBondContact CD2-OH 3.19Å; F299-Y301 HydrophobicContact CG-CE1 4.17Å; F299-Y301 AromaticContact CG-CE2 3.92Å; F299-Y301 HydrophobicContact CG-CE2 3.92Å; F299-Y301 AromaticContact CG-CZ 3.51Å; F299-Y301 WeakPolarHBondContact CG-OH 3.49Å; F299-Y301 PolarHBondContact O-N 2.95Å; Y301-D305 VanDerWaalsContact O-CB 3.31Å; Y301-D305 WeakPolarHBondContact O-CB 3.44Å; Y301-D305 PolarHBondContact O-N 2.86Å; Y301-V328 HydrophobicContact CE2-CG1 3.8Å; Y301-P329 WeakPolarHBondContact CE2-O 3.2Å; Y301-P329 PolarHBondContact OH-O 3.33Å; Y301-Y330 WeakPolarHBondContact OH-CA 3.16Å; Y301-Y330 WeakPolarHBondContact OH-CB 3.43Å
302I95.5Very high96.1Very high12 Ų1238 Ų386%0.06220%0.198CC..Hα-helixtrans-69-48168.1-66-66.1000109.4L297 F299 L304 D305 D306 V328L297-I302 HydrophobicContact CB-CG1 4.04Å; L297-I302 WeakPolarHBondContact O-CG2 3.42Å; F299-I302 HydrophobicContact CB-CB 4.4Å; F299-I302 HydrophobicContact CB-CG1 4.01Å; F299-I302 HydrophobicContact CD2-CG1 4.22Å; F299-I302 WeakPolarHBondContact O-CA 3.12Å; F299-I302 WeakPolarHBondContact O-CB 3.39Å; F299-I302 PolarHBondContact O-N 2.77Å; I302-L304 VanDerWaalsContact C-N 3.27Å; I302-L304 PolarHBondContact O-N 3.25Å; I302-D305 CarbonylContact O-C 3.51Å; I302-D305 PolarHBondContact O-N 2.76Å; I302-D306 PolarHBondContact O-N 3.41Å; I302-V328 HydrophobicContact CD1-CG1 3.79Å; I302-V328 HydrophobicContact CD1-CG2 4.01Å; I302-V328 HydrophobicContact CG1-CG1 4.35Å
303S97.7Very high96.1Very high6 Ų639.8 Ų39.84%0.04221%0.206CC..Hα-helixtrans-59.4-37173.1-177.60000112.3A14 F299 Y307A14-S303 WeakPolarHBondContact CB-O 3.3Å; A14-S303 WeakPolarHBondContact CB-OG 3.5Å; A14-S303 PolarHBondContact N-OG 3.42Å; F299-S303 PolarHBondContact O-N 3.27Å; S303-Y307 PolarHBondContact O-N 3.49Å
304L97.5Very high96Very high40 Ų4041.3 Ų41.321%0.20921%0.214CC..Hα-helixtrans-66.8-37.5172.9-179.455.9000112.5K13 T17 T300 I302 Y307 R308K13-L304 HydrophobicContact CG-CB 3.93Å; T17-L304 HydrophobicContact CG2-CD1 4.3Å; T300-L304 PolarHBondContact O-N 3.36Å; I302-L304 VanDerWaalsContact C-N 3.27Å; I302-L304 PolarHBondContact O-N 3.25Å; L304-Y307 HydrophobicContact CD1-CD1 3.78Å; L304-Y307 HydrophobicContact CD1-CE1 4.34Å; L304-Y307 WeakPolarHBondContact O-CB 3.4Å; L304-Y307 WeakPolarHBondContact O-CD1 3.47Å; L304-Y307 PolarHBondContact O-N 2.97Å; L304-R308 PolarHBondContact O-N 3.11Å
305D97.1Very high96Very high18 Ų1843.7 Ų43.710%0.09623%0.225CC..Hα-helixtrans-73-34.5178.7-168.565.3000112.1Y301 I302 Y307 R308 I309 R320 R325Y301-D305 VanDerWaalsContact O-CB 3.31Å; Y301-D305 WeakPolarHBondContact O-CB 3.44Å; Y301-D305 PolarHBondContact O-N 2.86Å; I302-D305 CarbonylContact O-C 3.51Å; I302-D305 PolarHBondContact O-N 2.76Å; D305-Y307 VanDerWaalsContact C-N 3.27Å; D305-Y307 PolarHBondContact O-N 3.44Å; D305-R308 WeakPolarHBondContact O-CA 3.37Å; D305-R308 WeakPolarHBondContact O-CB 3.31Å; D305-R308 PolarHBondContact O-N 3.49Å; D305-R308 IonicContact OD1-NH1 2.84Å; D305-I309 PolarHBondContact O-N 3.35Å; D305-I309 VanDerWaalsContact O-N 3.08Å; D305-R320 IonicContact OD1-NH2 2.71Å; D305-R320 PolarHBondContact OD1-NH2 3.24Å; D305-R325 IonicContact OD2-CZ 2.68Å; D305-R325 IonicContact OD2-NE 3.43Å; D305-R325 PolarHBondContact OD2-NE 2.93Å; D305-R325 IonicContact OD2-NH2 3.24Å; D305-R325 PolarHBondContact OD2-NH2 3.46Å; D305-R325 VanDerWaalsContact OD2-NH2 3.07Å
306D98.3Very high96Very high2 Ų244.1 Ų44.11%0.01123%0.23CC..Hα-helixtrans-55.5-44168.7-69.3-25.6000111.3L280 M290 G291 I302 R308 I309 V310 R325L280-D306 HydrophobicContact CD1-CB 3.47Å; L280-D306 VanDerWaalsContact CD1-CB 3.47Å; M290-D306 HydrophobicContact CB-CB 3.79Å; M290-D306 HydrophobicContact CG-CB 3.98Å; G291-D306 WeakPolarHBondContact CA-OD2 3.3Å; G291-D306 PolarHBondContact N-OD2 2.86Å; I302-D306 PolarHBondContact O-N 3.41Å; D306-R308 VanDerWaalsContact C-N 3.27Å; D306-R308 PolarHBondContact O-N 2.81Å; D306-I309 WeakPolarHBondContact O-CB 3.31Å; D306-I309 PolarHBondContact O-N 3.27Å; D306-V310 PolarHBondContact O-N 3.14Å; D306-R325 IonicContact OD1-CZ 3.22Å; D306-R325 IonicContact OD1-NH1 2.68Å; D306-R325 PolarHBondContact OD1-NH1 3.28Å; D306-R325 IonicContact OD1-NH2 3.7Å; D306-R325 PolarHBondContact OD1-NH2 2.85Å
307Y98.4Very high96.1Very high21 Ų2148.3 Ų48.38%0.08224%0.237CC..Hα-helixtrans-58.2-37.7171.7149.1-95.2000112.5T17 L18 T21 S303 L304 D305 I309 R311T17-Y307 HydrophobicContact CG2-CD1 3.86Å; T17-Y307 HydrophobicContact CG2-CD2 4.18Å; T17-Y307 HydrophobicContact CG2-CE1 3.56Å; T17-Y307 HydrophobicContact CG2-CE2 3.93Å; T17-Y307 HydrophobicContact CG2-CG 4.13Å; L18-Y307 HydrophobicContact CB-CD2 3.87Å; L18-Y307 HydrophobicContact CB-CE2 4.41Å; L18-Y307 HydrophobicContact CD1-CD2 4.04Å; L18-Y307 HydrophobicContact CD1-CE2 4.25Å; T21-Y307 HydrophobicContact CG2-CE2 4.36Å; T21-Y307 WeakPolarHBondContact OG1-CE2 3.37Å; T21-Y307 PolarHBondContact OG1-OH 3.36Å; S303-Y307 PolarHBondContact O-N 3.49Å; L304-Y307 HydrophobicContact CD1-CD1 3.78Å; L304-Y307 HydrophobicContact CD1-CE1 4.34Å; L304-Y307 WeakPolarHBondContact O-CB 3.4Å; L304-Y307 WeakPolarHBondContact O-CD1 3.47Å; L304-Y307 PolarHBondContact O-N 2.97Å; D305-Y307 VanDerWaalsContact C-N 3.27Å; D305-Y307 PolarHBondContact O-N 3.44Å; Y307-I309 VanDerWaalsContact C-N 3.32Å; Y307-I309 PolarHBondContact O-N 3.43Å; Y307-R311 HydrophobicContact CD2-CB 4.35Å; Y307-R311 HydrophobicContact CE2-CB 3.98Å; Y307-R311 HydrophobicContact CE2-CG 4.31Å; Y307-R311 WeakPolarHBondContact O-CB 3.2Å; Y307-R311 PolarHBondContact O-N 3.24Å; Y307-R311 WeakPolarHBondContact OH-CD 3.39Å
308R98Very high96.2Very high110 Ų11046 Ų4642%0.41523%0.234SC..Hα-helixtrans-67.5-35179.6-67.8172.2175.5163-5111.9L304 D305 D306 D312L304-R308 PolarHBondContact O-N 3.11Å; D305-R308 WeakPolarHBondContact O-CA 3.37Å; D305-R308 WeakPolarHBondContact O-CB 3.31Å; D305-R308 PolarHBondContact O-N 3.49Å; D305-R308 IonicContact OD1-NH1 2.84Å; D306-R308 VanDerWaalsContact C-N 3.27Å; D306-R308 PolarHBondContact O-N 2.81Å; R308-D312 WeakPolarHBondContact O-CB 3.4Å; R308-D312 PolarHBondContact O-N 2.7Å; R308-D312 VanDerWaalsContact O-N 3.09Å
309I98.2Very high96.3Very high1 Ų151.3 Ų51.31%0.00525%0.252CS..Hα-helixtrans-64.5-58.1174.8-65.6165.4000109.2L280 D305 D306 Y307 R311 D312 E313 R320 T322L280-I309 HydrophobicContact CD1-CB 4.17Å; L280-I309 HydrophobicContact CD1-CD1 4.25Å; L280-I309 HydrophobicContact CD1-CG2 4.25Å; L280-I309 HydrophobicContact CG-CG2 4.45Å; D305-I309 PolarHBondContact O-N 3.35Å; D305-I309 VanDerWaalsContact O-N 3.08Å; D306-I309 WeakPolarHBondContact O-CB 3.31Å; D306-I309 PolarHBondContact O-N 3.27Å; Y307-I309 VanDerWaalsContact C-N 3.32Å; Y307-I309 PolarHBondContact O-N 3.43Å; I309-R311 VanDerWaalsContact C-N 3.31Å; I309-R311 PolarHBondContact O-N 2.87Å; I309-D312 PolarHBondContact O-N 2.92Å; I309-D312 VanDerWaalsContact O-N 3.09Å; I309-E313 PolarHBondContact O-N 2.93Å; I309-R320 HydrophobicContact CB-CB 4.41Å; I309-R320 HydrophobicContact CG1-CB 4.07Å; I309-T322 HydrophobicContact CD1-CG2 3.83Å
310V98.5Very high96.4Very high0 Ų053.2 Ų53.20%026%0.257CS..Hα-helixtrans-59.8-40.7-179.41730000111.9L18 F124 L280 W288 M290 D306 D312 E313 L314L18-V310 HydrophobicContact CD1-CG1 4.28Å; L18-V310 HydrophobicContact CD2-CG1 4.05Å; F124-V310 HydrophobicContact CD1-CG1 3.96Å; F124-V310 HydrophobicContact CE1-CG1 3.52Å; L280-V310 HydrophobicContact CB-CG2 4.28Å; L280-V310 HydrophobicContact CD1-CG2 4.1Å; W288-V310 HydrophobicContact CG-CG2 4.47Å; M290-V310 HydrophobicContact CG-CG2 3.98Å; M290-V310 HydrophobicContact SD-CB 4.07Å; M290-V310 HydrophobicContact SD-CG1 4.42Å; M290-V310 HydrophobicContact SD-CG2 3.68Å; D306-V310 PolarHBondContact O-N 3.14Å; V310-D312 PolarHBondContact O-N 2.88Å; V310-E313 PolarHBondContact O-N 2.96Å; V310-L314 HydrophobicContact CG1-CD1 3.69Å; V310-L314 HydrophobicContact CG1-CG 4.24Å; V310-L314 WeakPolarHBondContact O-CB 3.36Å; V310-L314 VanDerWaalsContact O-CG 3.25Å; V310-L314 WeakPolarHBondContact O-CG 3.34Å; V310-L314 PolarHBondContact O-N 2.85Å
311R98.2Very high96.5Very high96 Ų9652 Ų5236%0.36225%0.251SS..Hα-helixtrans-62.5-43.8176.2-179.8-157.467.2179.8-0.9112.2T21 Y307 I309 E313 L314 L315T21-R311 HydrophobicContact CG2-CG 4.02Å; Y307-R311 HydrophobicContact CD2-CB 4.35Å; Y307-R311 HydrophobicContact CE2-CB 3.98Å; Y307-R311 HydrophobicContact CE2-CG 4.31Å; Y307-R311 WeakPolarHBondContact O-CB 3.2Å; Y307-R311 PolarHBondContact O-N 3.24Å; Y307-R311 WeakPolarHBondContact OH-CD 3.39Å; I309-R311 VanDerWaalsContact C-N 3.31Å; I309-R311 PolarHBondContact O-N 2.87Å; R311-E313 VanDerWaalsContact C-N 3.28Å; R311-E313 PolarHBondContact O-N 2.88Å; R311-L314 PolarHBondContact O-N 2.54Å; R311-L315 HydrophobicContact CG-CD1 4.49Å; R311-L315 PolarHBondContact O-N 3.39Å
312D97.8Very high96.5Very high24 Ų2449.5 Ų49.513%0.12825%0.245CC..Hα-helixtrans-66.2-33.2180-174.555.5000111.7R308 I309 V310 G316 E317 G318 R319 R320R308-D312 WeakPolarHBondContact O-CB 3.4Å; R308-D312 PolarHBondContact O-N 2.7Å; R308-D312 VanDerWaalsContact O-N 3.09Å; I309-D312 PolarHBondContact O-N 2.92Å; I309-D312 VanDerWaalsContact O-N 3.09Å; V310-D312 PolarHBondContact O-N 2.88Å; D312-G316 CarbonylContact O-C 3.58Å; D312-G316 WeakPolarHBondContact O-CA 3.35Å; D312-G316 PolarHBondContact O-N 3.32Å; D312-E317 PolarHBondContact O-N 2.61Å; D312-E317 PolarHBondContact OD1-N 2.88Å; D312-G318 PolarHBondContact O-N 3.06Å; D312-G318 PolarHBondContact OD2-N 2.79Å; D312-R319 PolarHBondContact OD2-N 3.23Å; D312-R320 HydrophobicContact CB-CB 3.99Å; D312-R320 HydrophobicContact CB-CG 3.66Å; D312-R320 WeakPolarHBondContact OD2-CG 3.46Å; D312-R320 PolarHBondContact OD2-N 3.48Å
313E97Very high96.3Very high63 Ų6353.7 Ų53.729%0.29427%0.267SS..Hα-helixtrans-66.9-47.6172.1-167.8-159.4133.600112.2H281 W288 I309 V310 R311H281-E313 IonicContact CE1-OE1 3.61Å; H281-E313 IonicContact CE1-OE2 3.54Å; H281-E313 PolarHBondContact CE1-OE2 2.8Å; H281-E313 IonicContact NE2-OE1 3.03Å; H281-E313 PolarHBondContact NE2-OE1 2.98Å; H281-E313 IonicContact NE2-OE2 3.08Å; H281-E313 PolarHBondContact NE2-OE2 2.79Å; W288-E313 WeakPolarHBondContact CZ2-OE1 3.47Å; W288-E313 PolarHBondContact NE1-OE1 2.87Å; W288-E313 PolarHBondContact NE1-OE2 3.07Å; W288-E313 VanDerWaalsContact NE1-OE2 3.14Å; I309-E313 PolarHBondContact O-N 2.93Å; V310-E313 PolarHBondContact O-N 2.96Å; R311-E313 VanDerWaalsContact C-N 3.28Å; R311-E313 PolarHBondContact O-N 2.88Å
314L97.4Very high95.8Very high32 Ų3255.9 Ų55.917%0.16828%0.279CS..Hα-helixtrans-77.4-33.5-173.3-64.8175.5000114L18 L22 W27 K122 F124 W288 V310 R311L18-L314 HydrophobicContact CD1-CD1 4.48Å; L22-L314 HydrophobicContact CD2-CD1 4.1Å; W27-L314 HydrophobicContact CH2-CD2 4.36Å; K122-L314 HydrophobicContact CD-CD2 3.94Å; F124-L314 HydrophobicContact CE1-CD1 3.82Å; F124-L314 HydrophobicContact CZ-CD1 3.56Å; W288-L314 HydrophobicContact CZ2-CD2 4.39Å; V310-L314 HydrophobicContact CG1-CD1 3.69Å; V310-L314 HydrophobicContact CG1-CG 4.24Å; V310-L314 WeakPolarHBondContact O-CB 3.36Å; V310-L314 VanDerWaalsContact O-CG 3.25Å; V310-L314 WeakPolarHBondContact O-CG 3.34Å; V310-L314 PolarHBondContact O-N 2.85Å; R311-L314 PolarHBondContact O-N 2.54Å
315L96.8Very high95.3Very high80 Ų8057 Ų5742%0.41928%0.28SS..Hα-helixtrans-130.7-1.7-169.8-58.5176.8000113.5T21 L22 A25 R311T21-L315 HydrophobicContact CG2-CD1 3.87Å; L22-L315 HydrophobicContact CD2-CD1 4.27Å; A25-L315 HydrophobicContact CB-CD1 4.05Å; A25-L315 HydrophobicContact CB-CD2 3.97Å; R311-L315 HydrophobicContact CG-CD1 4.49Å; R311-L315 PolarHBondContact O-N 3.39Å
316G94.1Very high94.4Very high47 Ų4765 Ų6549%0.48531%0.314SS..SBendtrans-123.1-145-174.200000112.8D312D312-G316 CarbonylContact O-C 3.58Å; D312-G316 WeakPolarHBondContact O-CA 3.35Å; D312-G316 PolarHBondContact O-N 3.32Å
317E93.3Very high93.6Very high132 Ų13270.4 Ų70.462%0.61734%0.343SS*.  trans-95.7-3.8-177.5-66.4-178.6-137.700113.3D312 R319D312-E317 PolarHBondContact O-N 2.61Å; D312-E317 PolarHBondContact OD1-N 2.88Å; E317-R319 VanDerWaalsContact C-N 3.33Å; E317-R319 HydrophobicContact CB-CG 4.05Å; E317-R319 VanDerWaalsContact CD-CZ 3.45Å; E317-R319 PolarHBondContact O-N 2.84Å; E317-R319 IonicContact OE1-CZ 2.56Å; E317-R319 IonicContact OE1-NH2 3.25Å; E317-R319 PolarHBondContact OE1-NH2 3.05Å; E317-R319 IonicContact OE2-CZ 3.72Å; E317-R319 IonicContact OE2-NE 2.81Å; E317-R319 PolarHBondContact OE2-NE 3.24Å; E317-R319 VanDerWaalsContact OE2-NE 3.09Å; E317-R319 IonicContact OE2-NH1 2.75Å; E317-R319 PolarHBondContact OE2-NH1 2.73Å; E317-R319 VanDerWaalsContact OE2-NH1 3.1Å; E317-R319 IonicContact OE2-NH2 3.88Å; E317-R319 PolarHBondContact OE2-NH2 2.9Å
318G93.3Very high93Very high39 Ų3971.1 Ų71.140%0.40235%0.349SS..SBendtrans63.431.9-178.900000114.8D312D312-G318 PolarHBondContact O-N 3.06Å; D312-G318 PolarHBondContact OD2-N 2.79Å
319R94.2Very high92.6Very high178 Ų17869.2 Ų69.267%0.67235%0.351SS*.  trans-94.4-21.4-178.7-65.5-171.3-63.4-160.2-13.4113.8D312 E317D312-R319 PolarHBondContact OD2-N 3.23Å; E317-R319 VanDerWaalsContact C-N 3.33Å; E317-R319 HydrophobicContact CB-CG 4.05Å; E317-R319 VanDerWaalsContact CD-CZ 3.45Å; E317-R319 PolarHBondContact O-N 2.84Å; E317-R319 IonicContact OE1-CZ 2.56Å; E317-R319 IonicContact OE1-NH2 3.25Å; E317-R319 PolarHBondContact OE1-NH2 3.05Å; E317-R319 IonicContact OE2-CZ 3.72Å; E317-R319 IonicContact OE2-NE 2.81Å; E317-R319 PolarHBondContact OE2-NE 3.24Å; E317-R319 VanDerWaalsContact OE2-NE 3.09Å; E317-R319 IonicContact OE2-NH1 2.75Å; E317-R319 PolarHBondContact OE2-NH1 2.73Å; E317-R319 VanDerWaalsContact OE2-NH1 3.1Å; E317-R319 IonicContact OE2-NH2 3.88Å; E317-R319 PolarHBondContact OE2-NH2 2.9Å
320R95.2Very high92.1Very high82 Ų8269.9 Ų69.931%0.30935%0.354SS..  trans-71.9141.8-179.3-64-70.8-66161.17.1110.6D305 I309 D312 D324D305-R320 IonicContact OD1-NH2 2.71Å; D305-R320 PolarHBondContact OD1-NH2 3.24Å; I309-R320 HydrophobicContact CB-CB 4.41Å; I309-R320 HydrophobicContact CG1-CB 4.07Å; D312-R320 HydrophobicContact CB-CB 3.99Å; D312-R320 HydrophobicContact CB-CG 3.66Å; D312-R320 WeakPolarHBondContact OD2-CG 3.46Å; D312-R320 PolarHBondContact OD2-N 3.48Å; R320-D324 WeakPolarHBondContact CD-OD2 3.48Å; R320-D324 VanDerWaalsContact CZ-CG 3.47Å; R320-D324 IonicContact CZ-OD1 3.82Å; R320-D324 VanDerWaalsContact CZ-OD1 3.23Å; R320-D324 IonicContact CZ-OD2 2.69Å; R320-D324 IonicContact NE-OD2 3.58Å; R320-D324 PolarHBondContact NE-OD2 2.93Å; R320-D324 IonicContact NH1-OD1 3.32Å; R320-D324 PolarHBondContact NH1-OD1 3.23Å; R320-D324 IonicContact NH1-OD2 3.17Å; R320-D324 PolarHBondContact NH1-OD2 2.7Å; R320-D324 IonicContact NH2-OD1 3.96Å; R320-D324 PolarHBondContact NH2-OD1 3.13Å; R320-D324 IonicContact NH2-OD2 2.87Å
321S96.1Very high91.8Very high19 Ų1972.1 Ų72.113%0.13337%0.369CS..  trans-153.3167.9173.774.70000111.1K278 D323 D324K278-S321 WeakPolarHBondContact O-CA 3.38Å; K278-S321 WeakPolarHBondContact O-CB 3.3Å; S321-D323 PolarHBondContact O-N 3.17Å; S321-D323 PolarHBondContact OG-N 3.46Å; S321-D324 PolarHBondContact N-OD2 2.89Å; S321-D324 PolarHBondContact O-N 3.45Å; S321-D324 VanDerWaalsContact O-N 3.16Å; S321-D324 VanDerWaalsContact O-OD1 3.11Å
322T94.1Very high91.5Very high38 Ų3867.7 Ų67.723%0.23335%0.353CS..G310 helixtrans-63.2-21.5176.756.50000113.4K278 L280 I309 D324 R325K278-T322 WeakPolarHBondContact CA-OG1 3.35Å; K278-T322 PolarHBondContact O-N 3.07Å; K278-T322 PolarHBondContact O-OG1 2.96Å; L280-T322 HydrophobicContact CD2-CG2 3.84Å; L280-T322 HydrophobicContact CG-CG2 4.39Å; I309-T322 HydrophobicContact CD1-CG2 3.83Å; T322-D324 VanDerWaalsContact C-N 3.28Å; T322-D324 PolarHBondContact O-N 3.18Å; T322-R325 WeakPolarHBondContact O-CB 3.2Å; T322-R325 WeakPolarHBondContact O-CD 3.3Å; T322-R325 VanDerWaalsContact O-CG 3.32Å; T322-R325 WeakPolarHBondContact O-CG 3.33Å; T322-R325 PolarHBondContact O-N 3.25Å
323D90.8Very high91.2Very high99 Ų9969.4 Ų69.453%0.52936%0.359SS..G310 helixtrans-70.8-21.4176.4-72.7-9.9000112.9K278 S321 R325K278-D323 VanDerWaalsContact CD-OD2 3.24Å; K278-D323 WeakPolarHBondContact CD-OD2 3.28Å; K278-D323 VanDerWaalsContact CE-OD1 3.24Å; K278-D323 WeakPolarHBondContact CE-OD1 3.38Å; K278-D323 WeakPolarHBondContact CE-OD2 3.16Å; K278-D323 IonicContact NZ-OD1 3.74Å; K278-D323 PolarHBondContact NZ-OD1 3.19Å; K278-D323 IonicContact NZ-OD2 3.76Å; K278-D323 PolarHBondContact NZ-OD2 2.77Å; S321-D323 PolarHBondContact O-N 3.17Å; S321-D323 PolarHBondContact OG-N 3.46Å; D323-R325 PolarHBondContact O-N 2.56Å
324D86.8Confident90.9Very high53 Ų5366.5 Ų66.528%0.28335%0.346SS..G310 helixtrans-78.1-0.917978.326.8000113.5R320 S321 T322 K326R320-D324 WeakPolarHBondContact CD-OD2 3.48Å; R320-D324 VanDerWaalsContact CZ-CG 3.47Å; R320-D324 IonicContact CZ-OD1 3.82Å; R320-D324 VanDerWaalsContact CZ-OD1 3.23Å; R320-D324 IonicContact CZ-OD2 2.69Å; R320-D324 IonicContact NE-OD2 3.58Å; R320-D324 PolarHBondContact NE-OD2 2.93Å; R320-D324 IonicContact NH1-OD1 3.32Å; R320-D324 PolarHBondContact NH1-OD1 3.23Å; R320-D324 IonicContact NH1-OD2 3.17Å; R320-D324 PolarHBondContact NH1-OD2 2.7Å; R320-D324 IonicContact NH2-OD1 3.96Å; R320-D324 PolarHBondContact NH2-OD1 3.13Å; R320-D324 IonicContact NH2-OD2 2.87Å; S321-D324 PolarHBondContact N-OD2 2.89Å; S321-D324 PolarHBondContact O-N 3.45Å; S321-D324 VanDerWaalsContact O-N 3.16Å; S321-D324 VanDerWaalsContact O-OD1 3.11Å; T322-D324 VanDerWaalsContact C-N 3.28Å; T322-D324 PolarHBondContact O-N 3.18Å; D324-K326 PolarHBondContact O-N 2.85Å
325R87.6Confident90.3Very high63 Ų6365.7 Ų65.724%0.23834%0.342CS..  trans-76.3101172.5-63.6174.7175.6163.93.9110.1D305 D306 T322 D323 V328D305-R325 IonicContact OD2-CZ 2.68Å; D305-R325 IonicContact OD2-NE 3.43Å; D305-R325 PolarHBondContact OD2-NE 2.93Å; D305-R325 IonicContact OD2-NH2 3.24Å; D305-R325 PolarHBondContact OD2-NH2 3.46Å; D305-R325 VanDerWaalsContact OD2-NH2 3.07Å; D306-R325 IonicContact OD1-CZ 3.22Å; D306-R325 IonicContact OD1-NH1 2.68Å; D306-R325 PolarHBondContact OD1-NH1 3.28Å; D306-R325 IonicContact OD1-NH2 3.7Å; D306-R325 PolarHBondContact OD1-NH2 2.85Å; T322-R325 WeakPolarHBondContact O-CB 3.2Å; T322-R325 WeakPolarHBondContact O-CD 3.3Å; T322-R325 VanDerWaalsContact O-CG 3.32Å; T322-R325 WeakPolarHBondContact O-CG 3.33Å; T322-R325 PolarHBondContact O-N 3.25Å; D323-R325 PolarHBondContact O-N 2.56Å; R325-V328 HydrophobicContact CB-CG2 4.4Å
326K77.8Confident89.8Confident187 Ų18763.3 Ų63.381%0.81333%0.331SS*.  trans-79.5-77.7177-61.4-173.3179.1-173.30112.4D324D324-K326 PolarHBondContact O-N 2.85Å
327N81.5Confident89.6Confident115 Ų11565 Ų6562%0.61533%0.334SS*.  trans-116.297.8-171.7-64.8-23.4000109P329 V341N327-P329 WeakPolarHBondContact O-CD 3.48Å; N327-V341 HydrophobicContact CB-CG2 3.83Å
328V85.5Confident89.4Confident36 Ų3659.5 Ų59.522%0.21831%0.309CS..  trans-82.8111.7176.4-1800000108.6L297 Y301 I302 R325L297-V328 HydrophobicContact CD1-CB 4.19Å; L297-V328 HydrophobicContact CD1-CG1 3.87Å; L297-V328 HydrophobicContact CD1-CG2 4.4Å; Y301-V328 HydrophobicContact CE2-CG1 3.8Å; I302-V328 HydrophobicContact CD1-CG1 3.79Å; I302-V328 HydrophobicContact CD1-CG2 4.01Å; I302-V328 HydrophobicContact CG1-CG1 4.35Å; R325-V328 HydrophobicContact CB-CG2 4.4Å
329P90.2Very high89.3Confident69 Ų6961 Ų6145%0.44831%0.314SS..EExtended strand (participates in β ladder)trans-76.8157.3171.734-35.2000110.2Y301 N327 R340 V341Y301-P329 WeakPolarHBondContact CE2-O 3.2Å; Y301-P329 PolarHBondContact OH-O 3.33Å; N327-P329 WeakPolarHBondContact O-CD 3.48Å; P329-R340 CarbonylContact C-O 3.5Å; P329-R340 VanDerWaalsContact CA-O 3.24Å; P329-R340 WeakPolarHBondContact CA-O 3.34Å; P329-V341 HydrophobicContact CB-CB 4.24Å; P329-V341 HydrophobicContact CB-CG2 4.23Å
330Y88.1Confident88.9Confident15 Ų1555.1 Ų55.16%0.05929%0.291CS..EExtended strand (participates in β ladder)trans-148164.8160.568.6-89.6000111.6Y168 E197 F299 Y301 V332 S339 R340Y168-Y330 HydrophobicContact CE1-CE2 4.45Å; Y168-Y330 PolarHBondContact OH-OH 3.38Å; E197-Y330 PolarHBondContact OE1-OH 3.05Å; E197-Y330 PolarHBondContact OE2-OH 3.18Å; F299-Y330 HydrophobicContact CE1-CG 4.31Å; F299-Y330 HydrophobicContact CE2-CD1 4.29Å; F299-Y330 HydrophobicContact CE2-CG 4.12Å; F299-Y330 HydrophobicContact CZ-CD1 4.14Å; F299-Y330 HydrophobicContact CZ-CD2 4.16Å; F299-Y330 AromaticContact CZ-CG 3.61Å; F299-Y330 HydrophobicContact CZ-CG 3.61Å; Y301-Y330 WeakPolarHBondContact OH-CA 3.16Å; Y301-Y330 WeakPolarHBondContact OH-CB 3.43Å; Y330-V332 HydrophobicContact CD2-CG2 4.28Å; Y330-V332 HydrophobicContact CE2-CG2 4.16Å; Y330-S339 VanDerWaalsContact O-CA 3.25Å; Y330-S339 WeakPolarHBondContact O-CA 3.15Å; Y330-R340 HydrophobicContact CD1-CB 4.37Å; Y330-R340 HydrophobicContact CE1-CB 3.68Å; Y330-R340 HydrophobicContact CE1-CG 4.32Å; Y330-R340 HydrophobicContact CE2-CB 4.32Å; Y330-R340 PolarHBondContact N-O 3.14Å; Y330-R340 PolarHBondContact O-N 3.43Å; Y330-R340 WeakPolarHBondContact OH-CD 3.4Å; Y330-R340 PolarHBondContact OH-NE 2.88Å; Y330-R340 PolarHBondContact OH-NH1 3.42Å
331S92Very high88.5Confident47 Ų4755.6 Ų55.633%0.32930%0.303SS..EExtended strand (participates in β ladder)trans-137.5137.7176.1-56.50000110.2L338 S339S331-L338 CarbonylContact C-O 3.6Å; S331-L338 WeakPolarHBondContact CA-O 3.43Å; S331-S339 WeakPolarHBondContact CB-OG 3.21Å; S331-S339 PolarHBondContact OG-OG 3.03Å
332V91.7Very high87.9Confident3 Ų356 Ų562%0.01831%0.311CS..EExtended strand (participates in β ladder)trans-101.3121.8170.6-176.20000107.4Y168 V171 E172 Y330 M334 L338Y168-V332 HydrophobicContact CD1-CG1 4.46Å; Y168-V332 HydrophobicContact CD1-CG2 3.49Å; Y168-V332 VanDerWaalsContact CD1-CG2 3.49Å; Y168-V332 HydrophobicContact CE1-CG2 3.97Å; Y168-V332 HydrophobicContact CG-CG2 3.9Å; V171-V332 HydrophobicContact CG1-CG1 4.18Å; E172-V332 HydrophobicContact CG-CG1 3.58Å; E172-V332 WeakPolarHBondContact OE1-CA 3.32Å; Y330-V332 HydrophobicContact CD2-CG2 4.28Å; Y330-V332 HydrophobicContact CE2-CG2 4.16Å; V332-M334 VanDerWaalsContact C-N 3.26Å; V332-M334 PolarHBondContact O-N 3.22Å; V332-L338 HydrophobicContact CB-CB 4.16Å; V332-L338 HydrophobicContact CB-CD2 4.36Å; V332-L338 HydrophobicContact CG2-CD2 4.05Å; V332-L338 HydrophobicContact CG2-CG 4.43Å; V332-L338 PolarHBondContact N-O 3.09Å; V332-L338 PolarHBondContact O-N 2.81Å
333F91.1Very high87.3Confident60 Ų6060.4 Ų60.426%0.26333%0.33SS..  trans-81.464.4-172.4-64.4-77.5000113.1K52 E172K52-F333 HydrophobicContact CD-CD1 4.49Å; K52-F333 HydrophobicContact CD-CE1 4.2Å; K52-F333 HydrophobicContact CD-CZ 4.32Å; K52-F333 HydrophobicContact CG-CD1 4.11Å; K52-F333 HydrophobicContact CG-CE1 4.32Å; K52-F333 HydrophobicContact CG-CG 4.28Å; E172-F333 HydrophobicContact CG-CB 4.26Å; E172-F333 PolarHBondContact OE1-N 3.03Å
334M90.5Very high87Confident3 Ų356 Ų562%0.01531%0.307CS..SBendtrans-102.3176.7163.458.3171.9-69.800111V171 I205 I208 L209 V332 P336 P337 L338V171-M334 HydrophobicContact CG1-CB 4.21Å; V171-M334 HydrophobicContact CG1-CG 4.25Å; V171-M334 HydrophobicContact CG1-SD 3.57Å; V171-M334 VanDerWaalsContact CG1-SD 3.57Å; I205-M334 HydrophobicContact CD1-CE 3.92Å; I205-M334 HydrophobicContact CD1-SD 3.66Å; I205-M334 HydrophobicContact CG1-SD 4.46Å; I205-M334 HydrophobicContact CG2-CE 3.9Å; I205-M334 HydrophobicContact CG2-SD 3.5Å; I205-M334 VanDerWaalsContact CG2-SD 3.5Å; I208-M334 HydrophobicContact CB-CE 4.29Å; I208-M334 HydrophobicContact CG2-CE 3.69Å; L209-M334 HydrophobicContact CD2-CE 4.21Å; L209-M334 HydrophobicContact CG-CE 4.3Å; V332-M334 VanDerWaalsContact C-N 3.26Å; V332-M334 PolarHBondContact O-N 3.22Å; M334-P336 CarbonylContact C-O 3.59Å; M334-P336 WeakPolarHBondContact CG-O 3.46Å; M334-P336 CarbonylContact O-C 3.53Å; M334-P337 WeakPolarHBondContact O-CA 3.38Å; M334-L338 HydrophobicContact SD-CB 4.48Å
335T86Confident86.7Confident14 Ų1456.3 Ų56.39%0.08631%0.306CS..SBendtrans-114.4119.3177.6-560000110.9Q59 S175 Q212Q59-T335 HydrophobicContact CG-CG2 4.44Å; Q59-T335 PolarHBondContact NE2-OG1 2.75Å; S175-T335 PolarHBondContact OG-N 3.12Å; S175-T335 VanDerWaalsContact OG-N 3.14Å; Q212-T335 PolarHBondContact NE2-O 3.36Å
336P86.4Confident86.4Confident30 Ų3058.6 Ų58.620%0.19532%0.32CS..SBendcis-63.8159.6-14.730.7-37.2000111.8I208 M334 R375I208-P336 HydrophobicContact CD1-CG 4.3Å; M334-P336 CarbonylContact C-O 3.59Å; M334-P336 WeakPolarHBondContact CG-O 3.46Å; M334-P336 CarbonylContact O-C 3.53Å; P336-R375 HydrophobicContact CG-CB 4.44Å
337P89.6Confident86.6Confident84 Ų8453.9 Ų53.955%0.54530%0.3SS..PPolyproline II helixtrans-68.2139-177.627.4-34.8000111.9M334M334-P337 WeakPolarHBondContact O-CA 3.38Å
338L89.7Confident86.7Confident15 Ų1549.2 Ų49.28%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-85.5132166.416666.5000108.2L194 E197 I201 I205 S331 V332 M334L194-L338 HydrophobicContact CD1-CD2 4.47Å; E197-L338 HydrophobicContact CG-CD2 4.2Å; I201-L338 HydrophobicContact CG2-CD1 3.57Å; I205-L338 HydrophobicContact CD1-CB 3.99Å; I205-L338 HydrophobicContact CD1-CD1 4.38Å; I205-L338 HydrophobicContact CG1-CD2 4.38Å; S331-L338 CarbonylContact C-O 3.6Å; S331-L338 WeakPolarHBondContact CA-O 3.43Å; V332-L338 HydrophobicContact CB-CB 4.16Å; V332-L338 HydrophobicContact CB-CD2 4.36Å; V332-L338 HydrophobicContact CG2-CD2 4.05Å; V332-L338 HydrophobicContact CG2-CG 4.43Å; V332-L338 PolarHBondContact N-O 3.09Å; V332-L338 PolarHBondContact O-N 2.81Å; M334-L338 HydrophobicContact SD-CB 4.48Å
339S90.9Very high86.5Confident72 Ų7254.5 Ų54.550%0.50329%0.294SS..EExtended strand (participates in β ladder)trans-139.6143.8175.1-62.40000110.7Y330 S331Y330-S339 VanDerWaalsContact O-CA 3.25Å; Y330-S339 WeakPolarHBondContact O-CA 3.15Å; S331-S339 WeakPolarHBondContact CB-OG 3.21Å; S331-S339 PolarHBondContact OG-OG 3.03Å
340R85.2Confident86.2Confident53 Ų5358.2 Ų58.220%0.231%0.305CS..EExtended strand (participates in β ladder)trans-138149.9177.1-169.5174.883-160.38.7110.2R196 E197 P329 Y330 T344R196-R340 PolarHBondContact O-NH1 2.59Å; E197-R340 IonicContact OE1-NH1 2.65Å; E197-R340 IonicContact OE2-CZ 2.85Å; E197-R340 IonicContact OE2-NH1 3.39Å; E197-R340 PolarHBondContact OE2-NH1 3.4Å; P329-R340 CarbonylContact C-O 3.5Å; P329-R340 VanDerWaalsContact CA-O 3.24Å; P329-R340 WeakPolarHBondContact CA-O 3.34Å; Y330-R340 HydrophobicContact CD1-CB 4.37Å; Y330-R340 HydrophobicContact CE1-CB 3.68Å; Y330-R340 HydrophobicContact CE1-CG 4.32Å; Y330-R340 HydrophobicContact CE2-CB 4.32Å; Y330-R340 PolarHBondContact N-O 3.14Å; Y330-R340 PolarHBondContact O-N 3.43Å; Y330-R340 WeakPolarHBondContact OH-CD 3.4Å; Y330-R340 PolarHBondContact OH-NE 2.88Å; Y330-R340 PolarHBondContact OH-NH1 3.42Å; R340-T344 VanDerWaalsContact CZ-CG2 3.49Å
341V88Confident86Confident93 Ų9360.9 Ų60.956%0.56433%0.326SS*.EExtended strand (participates in β ladder)trans-136.4131.6170.560.20000109N327 P329N327-V341 HydrophobicContact CB-CG2 3.83Å; P329-V341 HydrophobicContact CB-CB 4.24Å; P329-V341 HydrophobicContact CB-CG2 4.23Å
342G83Confident85.4Confident28 Ų2861.9 Ų61.929%0.28934%0.344SS..SBendtrans79.8-154.7178.900000114.2
343M81.7Confident84.6Confident130 Ų13064.1 Ų64.164%0.6436%0.363SS*.  trans-74.4152.3-176.2-65.1178.8-179.400111.7Q347 A348M343-Q347 HydrophobicContact CB-CB 4.03Å; M343-Q347 HydrophobicContact CG-CB 4.44Å; M343-A348 HydrophobicContact CB-CB 4.48Å
344T82.8Confident83.5Confident7 Ų769.3 Ų69.34%0.04339%0.393CS..  trans-72.8164163.761.20000110.6D198 R340 E346 Q347 A348D198-T344 WeakPolarHBondContact OD1-CB 3.2Å; R340-T344 VanDerWaalsContact CZ-CG2 3.49Å; T344-E346 PolarHBondContact O-N 2.68Å; T344-Q347 PolarHBondContact O-N 2.8Å; T344-Q347 WeakPolarHBondContact OG1-CB 3.33Å; T344-Q347 WeakPolarHBondContact OG1-CG 3.44Å; T344-Q347 PolarHBondContact OG1-N 3.16Å; T344-Q347 VanDerWaalsContact OG1-N 3.12Å; T344-Q347 PolarHBondContact OG1-OE1 2.94Å; T344-A348 WeakPolarHBondContact O-CB 3.32Å; T344-A348 PolarHBondContact O-N 3.34Å
345E81.3Confident82.7Confident59 Ų5971.4 Ų71.428%0.27640%0.404SS..Hα-helixtrans-56.8-43.7173.4-175.2-175.7153.600110.5D198 A348 R349 I355 V357D198-E345 WeakPolarHBondContact OD1-CB 3.24Å; D198-E345 PolarHBondContact OD1-N 3.07Å; D198-E345 PolarHBondContact OD2-N 3.12Å; E345-A348 PolarHBondContact O-N 2.82Å; E345-R349 WeakPolarHBondContact O-CG 3.3Å; E345-R349 PolarHBondContact O-N 3.02Å; E345-R349 IonicContact OE1-CZ 2.63Å; E345-R349 IonicContact OE1-NE 3.87Å; E345-R349 PolarHBondContact OE1-NE 3.06Å; E345-R349 IonicContact OE1-NH2 3.73Å; E345-R349 PolarHBondContact OE1-NH2 2.91Å; E345-I355 HydrophobicContact CG-CD1 3.93Å; E345-V357 HydrophobicContact CG-CG2 3.89Å
346E80.4Confident82.2Confident110 Ų11077.3 Ų77.351%0.51443%0.431SS..Hα-helixtrans-58.3-49.8177.2-174.4173.6-154.900112.1T344 A348 R349 E350T344-E346 PolarHBondContact O-N 2.68Å; E346-A348 VanDerWaalsContact C-N 3.3Å; E346-A348 PolarHBondContact O-N 2.69Å; E346-R349 PolarHBondContact O-N 3.18Å; E346-E350 WeakPolarHBondContact O-CB 3.21Å; E346-E350 WeakPolarHBondContact O-CG 3.24Å; E346-E350 PolarHBondContact O-N 3.33Å
347Q83.6Confident81.6Confident88 Ų8879.2 Ų79.241%0.41144%0.442SS..Hα-helixtrans-61.6-38.6177.2-74.4171.5-20.600112.2M343 T344 E350 S351M343-Q347 HydrophobicContact CB-CB 4.03Å; M343-Q347 HydrophobicContact CG-CB 4.44Å; T344-Q347 PolarHBondContact O-N 2.8Å; T344-Q347 WeakPolarHBondContact OG1-CB 3.33Å; T344-Q347 WeakPolarHBondContact OG1-CG 3.44Å; T344-Q347 PolarHBondContact OG1-N 3.16Å; T344-Q347 VanDerWaalsContact OG1-N 3.12Å; T344-Q347 PolarHBondContact OG1-OE1 2.94Å; Q347-E350 PolarHBondContact O-N 3.17Å; Q347-S351 WeakPolarHBondContact O-CB 3.24Å; Q347-S351 PolarHBondContact O-N 3.23Å
348A82.5Confident81Confident17 Ų1777.9 Ų77.914%0.1443%0.432CS..Hα-helixtrans-67.5-40.9178.500000111.1M343 T344 E345 E346 S351 I355M343-A348 HydrophobicContact CB-CB 4.48Å; T344-A348 WeakPolarHBondContact O-CB 3.32Å; T344-A348 PolarHBondContact O-N 3.34Å; E345-A348 PolarHBondContact O-N 2.82Å; E346-A348 VanDerWaalsContact C-N 3.3Å; E346-A348 PolarHBondContact O-N 2.69Å; A348-S351 PolarHBondContact O-N 3.41Å; A348-S351 PolarHBondContact O-OG 3.42Å; A348-I355 HydrophobicContact CB-CD1 4.31Å; A348-I355 HydrophobicContact CB-CG2 3.9Å
349R81Confident80.1Confident147 Ų14781.2 Ų81.256%0.55545%0.453SS*.Hα-helixtrans-64.3-44.2173-70-178.5-177.8-78.3-0.4112.2E345 E346 S351 G352 I355E345-R349 WeakPolarHBondContact O-CG 3.3Å; E345-R349 PolarHBondContact O-N 3.02Å; E345-R349 IonicContact OE1-CZ 2.63Å; E345-R349 IonicContact OE1-NE 3.87Å; E345-R349 PolarHBondContact OE1-NE 3.06Å; E345-R349 IonicContact OE1-NH2 3.73Å; E345-R349 PolarHBondContact OE1-NH2 2.91Å; E346-R349 PolarHBondContact O-N 3.18Å; R349-S351 PolarHBondContact O-N 3.45Å; R349-G352 PolarHBondContact O-N 3.19Å; R349-G352 VanDerWaalsContact O-N 3.09Å; R349-I355 HydrophobicContact CG-CD1 3.53Å; R349-I355 HydrophobicContact CG-CG1 4.39Å
350E85Confident79.3Confident147 Ų14780.1 Ų80.169%0.68744%0.441SS*.Hα-helixtrans-63-29.8177.2-74.5-179.1163.100112.8E346 Q347 G352E346-E350 WeakPolarHBondContact O-CB 3.21Å; E346-E350 WeakPolarHBondContact O-CG 3.24Å; E346-E350 PolarHBondContact O-N 3.33Å; Q347-E350 PolarHBondContact O-N 3.17Å; E350-G352 PolarHBondContact O-N 2.78Å
351S83Confident78.6Confident72 Ų7281 Ų8150%0.50345%0.453SS..THydrogen-bonded Turntrans-68.8-12.7175.580.60000114Q347 A348 R349 A353Q347-S351 WeakPolarHBondContact O-CB 3.24Å; Q347-S351 PolarHBondContact O-N 3.23Å; A348-S351 PolarHBondContact O-N 3.41Å; A348-S351 PolarHBondContact O-OG 3.42Å; R349-S351 PolarHBondContact O-N 3.45Å; S351-A353 VanDerWaalsContact C-N 3.3Å; S351-A353 WeakPolarHBondContact OG-CB 3.32Å; S351-A353 PolarHBondContact OG-N 3.34Å
352G79.6Confident77.7Confident68 Ų6877.6 Ų77.670%0.70143%0.433SS*.THydrogen-bonded Turntrans77.711.3-176.100000114.4R349 E350R349-G352 PolarHBondContact O-N 3.19Å; R349-G352 VanDerWaalsContact O-N 3.09Å; E350-G352 PolarHBondContact O-N 2.78Å
353A74.6Confident76.9Confident50 Ų5077.9 Ų77.941%0.41343%0.433SS..  trans-69.7144175.600000111.6S351 I355S351-A353 VanDerWaalsContact C-N 3.3Å; S351-A353 WeakPolarHBondContact OG-CB 3.32Å; S351-A353 PolarHBondContact OG-N 3.34Å; A353-I355 HydrophobicContact CB-CG2 3.96Å; A353-I355 PolarHBondContact O-N 3.03Å
354D69.7Low76.2Confident169 Ų16974.7 Ų74.790%0.90443%0.427SS*.  trans-75.8114.3165.1-171.922.1000108.1
355I72.4Confident75.4Confident47 Ų4777 Ų7724%0.24144%0.439CS..  trans-118.8145.2-171.865.6166.5000111.5E345 A348 R349 A353 V357E345-I355 HydrophobicContact CG-CD1 3.93Å; A348-I355 HydrophobicContact CB-CD1 4.31Å; A348-I355 HydrophobicContact CB-CG2 3.9Å; R349-I355 HydrophobicContact CG-CD1 3.53Å; R349-I355 HydrophobicContact CG-CG1 4.39Å; A353-I355 HydrophobicContact CB-CG2 3.96Å; A353-I355 PolarHBondContact O-N 3.03Å; I355-V357 HydrophobicContact CD1-CG2 4Å; I355-V357 HydrophobicContact CG1-CG2 4.5Å
356Q75.2Confident74.6Confident137 Ų13778.7 Ų78.764%0.6446%0.455SS*.  trans-108.6134.6165-66-172.90.100108.9
357V73.9Confident73.8Confident71 Ų7178.5 Ų78.543%0.4345%0.449SS..  trans-115.7122177.5-176.40000107.4E345 I355E345-V357 HydrophobicContact CG-CG2 3.89Å; I355-V357 HydrophobicContact CD1-CG2 4Å; I355-V357 HydrophobicContact CG1-CG2 4.5Å
358V77Confident72.7Confident55 Ų5574.7 Ų74.733%0.33343%0.433SS..  trans-126.8140.8-177.8178.30000109.4P379 Y380V358-P379 WeakPolarHBondContact O-CA 3.27Å; V358-P379 VanDerWaalsContact O-CB 3.28Å; V358-P379 WeakPolarHBondContact O-CB 3.49Å; V358-Y380 WeakPolarHBondContact CB-O 3.48Å; V358-Y380 HydrophobicContact CG1-CE1 4.39Å; V358-Y380 WeakPolarHBondContact CG1-O 3.2Å; V358-Y380 PolarHBondContact O-N 3.39Å
359T72.1Confident71.9Confident85 Ų8581.3 Ų81.352%0.52145%0.454SS..  trans-132.6111.8-162.1-69.30000110.5F377T359-F377 VanDerWaalsContact C-CE2 3.46Å; T359-F377 VanDerWaalsContact CB-CE2 3.46Å; T359-F377 VanDerWaalsContact CB-CZ 3.42Å; T359-F377 HydrophobicContact CG2-CD2 4.05Å; T359-F377 HydrophobicContact CG2-CE2 3.02Å; T359-F377 HydrophobicContact CG2-CZ 3.36Å; T359-F377 VanDerWaalsContact OG1-CZ 3.32Å; T359-F377 WeakPolarHBondContact OG1-CZ 3.34Å
360L74.3Confident71.1Confident50 Ų5079.5 Ų79.526%0.26246%0.459SS..EExtended strand (participates in β ladder)trans-111.6113171.7-170.666.9000112.5V362 A364 I365 F377 V378 Y380L360-V362 PolarHBondContact O-N 3.19Å; L360-A364 HydrophobicContact CD1-CB 3.93Å; L360-I365 HydrophobicContact CD2-CD1 4.37Å; L360-I365 HydrophobicContact CD2-CG1 4.08Å; L360-F377 VanDerWaalsContact O-CD2 3.23Å; L360-F377 WeakPolarHBondContact O-CD2 3.3Å; L360-V378 VanDerWaalsContact CB-O 3.28Å; L360-V378 WeakPolarHBondContact CB-O 3.34Å; L360-V378 PolarHBondContact N-O 3.37Å; L360-V378 PolarHBondContact O-N 2.86Å; L360-Y380 HydrophobicContact CB-CD1 3.71Å; L360-Y380 HydrophobicContact CB-CE1 3.7Å; L360-Y380 HydrophobicContact CD1-CE1 4.31Å; L360-Y380 HydrophobicContact CD2-CD1 4.08Å; L360-Y380 HydrophobicContact CD2-CE1 3.88Å; L360-Y380 HydrophobicContact CG-CD1 4.46Å; L360-Y380 HydrophobicContact CG-CE1 4.17Å
361P69.7Low70.3Confident70 Ų7078.2 Ų78.246%0.45546%0.455SS..EExtended strand (participates in β ladder)trans-61.2134.7169.1-22.233.6000111.4A363 A364P361-A363 PolarHBondContact O-N 3.31Å; P361-A363 VanDerWaalsContact O-N 3.14Å; P361-A364 VanDerWaalsContact O-CB 3.31Å; P361-A364 WeakPolarHBondContact O-CB 3.5Å; P361-A364 PolarHBondContact O-N 3.4Å
362V69.2Low69.6Low22 Ų2282 Ų8213%0.13347%0.469CS..G310 helixtrans-60.3-27.6177.6168.20000111.7L360 A364 I365 A368 G376 F377 V378L360-V362 PolarHBondContact O-N 3.19Å; V362-A364 PolarHBondContact O-N 3.35Å; V362-A364 VanDerWaalsContact O-N 3.1Å; V362-I365 HydrophobicContact CG2-CD1 4.3Å; V362-I365 WeakPolarHBondContact O-CB 3.38Å; V362-I365 PolarHBondContact O-N 2.87Å; V362-A368 HydrophobicContact CG1-CB 3.38Å; V362-A368 VanDerWaalsContact O-CB 3.3Å; V362-A368 WeakPolarHBondContact O-CB 3.35Å; V362-G376 WeakPolarHBondContact CB-O 3.39Å; V362-G376 VanDerWaalsContact CG2-O 3.28Å; V362-G376 WeakPolarHBondContact CG2-O 3.49Å; V362-G376 PolarHBondContact N-O 2.85Å; V362-F377 VanDerWaalsContact CG2-N 3.31Å; V362-V378 HydrophobicContact CG2-CG2 4.02Å
363A66Low69Low34 Ų3480.7 Ų80.728%0.28145%0.446SS..G310 helixtrans-58.4-20.6173.400000114.8P361 R369 T374P361-A363 PolarHBondContact O-N 3.31Å; P361-A363 VanDerWaalsContact O-N 3.14Å; A363-R369 PolarHBondContact O-NE 3.32Å; A363-R369 VanDerWaalsContact O-NE 3.12Å; A363-T374 HydrophobicContact CB-CG2 4.49Å
364A66.5Low68.6Low64 Ų6480.7 Ų80.753%0.52944%0.441SS..G310 helixtrans-84.1-11.3174.500000113.1L360 P361 V362 P366L360-A364 HydrophobicContact CD1-CB 3.93Å; P361-A364 VanDerWaalsContact O-CB 3.31Å; P361-A364 WeakPolarHBondContact O-CB 3.5Å; P361-A364 PolarHBondContact O-N 3.4Å; V362-A364 PolarHBondContact O-N 3.35Å; V362-A364 VanDerWaalsContact O-N 3.1Å; A364-P366 WeakPolarHBondContact O-CD 3.46Å
365I66.5Low68.3Low56 Ų5676.7 Ų76.729%0.28741%0.413SS..SBendtrans-85.9115.4178.3-55.6176.1000108.4L360 V362 R367 A368 R369 V378L360-I365 HydrophobicContact CD2-CD1 4.37Å; L360-I365 HydrophobicContact CD2-CG1 4.08Å; V362-I365 HydrophobicContact CG2-CD1 4.3Å; V362-I365 WeakPolarHBondContact O-CB 3.38Å; V362-I365 PolarHBondContact O-N 2.87Å; I365-R367 HydrophobicContact CG2-CB 4.2Å; I365-R367 PolarHBondContact O-N 3.26Å; I365-R367 VanDerWaalsContact O-N 3.1Å; I365-A368 HydrophobicContact CB-CB 4.23Å; I365-A368 WeakPolarHBondContact O-CB 3.49Å; I365-A368 PolarHBondContact O-N 3.47Å; I365-R369 PolarHBondContact O-N 3.5Å; I365-V378 HydrophobicContact CD1-CG2 4.24Å
366P63.6Low67.3Low93 Ų9375.9 Ų75.960%0.60442%0.417SS*.Hα-helixtrans-56.1-33.8-177.9-2836000113.6A364 A368 R369 V370A364-P366 WeakPolarHBondContact O-CD 3.46Å; P366-A368 VanDerWaalsContact C-N 3.32Å; P366-A368 PolarHBondContact O-N 2.95Å; P366-R369 WeakPolarHBondContact O-CB 3.18Å; P366-R369 PolarHBondContact O-N 3.15Å; P366-V370 WeakPolarHBondContact O-CG2 3.49Å; P366-V370 PolarHBondContact O-N 3.26Å
367R65.4Low65.6Low106 Ų10671.4 Ų71.440%0.440%0.395SS..Hα-helixtrans-62.5-36.9176.5-179.358.3177.2-163.9-6.3112.8I365 R369 V370 M371 E544I365-R367 HydrophobicContact CG2-CB 4.2Å; I365-R367 PolarHBondContact O-N 3.26Å; I365-R367 VanDerWaalsContact O-N 3.1Å; R367-R369 VanDerWaalsContact C-N 3.29Å; R367-R369 PolarHBondContact O-N 3.17Å; R367-V370 WeakPolarHBondContact O-CB 3.47Å; R367-V370 PolarHBondContact O-N 3.03Å; R367-M371 HydrophobicContact CG-CG 4.42Å; R367-M371 HydrophobicContact CG-SD 4Å; R367-M371 WeakPolarHBondContact O-CG 3.47Å; R367-M371 PolarHBondContact O-N 3.47Å; R367-E544 IonicContact CZ-OE1 2.75Å; R367-E544 IonicContact NH1-OE1 3.19Å; R367-E544 PolarHBondContact NH1-OE1 3.42Å; R367-E544 IonicContact NH1-OE2 2.7Å; R367-E544 IonicContact NH2-OE1 3.66Å; R367-E544 PolarHBondContact NH2-OE1 3.25Å
368A59.2Low63.9Low9 Ų970.9 Ų70.97%0.07439%0.392CS..Hα-helixtrans-64.2-38.2177.600000111.4V362 I365 P366 M371 N372 D373V362-A368 HydrophobicContact CG1-CB 3.38Å; V362-A368 VanDerWaalsContact O-CB 3.3Å; V362-A368 WeakPolarHBondContact O-CB 3.35Å; I365-A368 HydrophobicContact CB-CB 4.23Å; I365-A368 WeakPolarHBondContact O-CB 3.49Å; I365-A368 PolarHBondContact O-N 3.47Å; P366-A368 VanDerWaalsContact C-N 3.32Å; P366-A368 PolarHBondContact O-N 2.95Å; A368-M371 CarbonylContact O-C 3.5Å; A368-M371 PolarHBondContact O-N 3.3Å; A368-N372 PolarHBondContact O-N 2.96Å; A368-D373 WeakPolarHBondContact CB-O 3.15Å; A368-D373 CarbonylContact O-C 3.52Å; A368-D373 PolarHBondContact O-N 3.38Å
369R65.8Low61.5Low156 Ų15672.1 Ų72.159%0.58940%0.402SS*.Hα-helixtrans-64.3-42.6171.5-62.9-77.8-179.4172.86.4112A363 I365 P366 R367 M371 N372 T374A363-R369 PolarHBondContact O-NE 3.32Å; A363-R369 VanDerWaalsContact O-NE 3.12Å; I365-R369 PolarHBondContact O-N 3.5Å; P366-R369 WeakPolarHBondContact O-CB 3.18Å; P366-R369 PolarHBondContact O-N 3.15Å; R367-R369 VanDerWaalsContact C-N 3.29Å; R367-R369 PolarHBondContact O-N 3.17Å; R369-M371 VanDerWaalsContact C-N 3.3Å; R369-M371 PolarHBondContact O-N 3.09Å; R369-N372 PolarHBondContact O-N 3.11Å; R369-T374 HydrophobicContact CG-CG2 4.11Å
370V63.4Low59.8Low108 Ų10873.2 Ų73.266%0.65540%0.397SS*.Hα-helixtrans-62.8-38.2176.1172.10000111.7P366 R367 N372P366-V370 WeakPolarHBondContact O-CG2 3.49Å; P366-V370 PolarHBondContact O-N 3.26Å; R367-V370 WeakPolarHBondContact O-CB 3.47Å; R367-V370 PolarHBondContact O-N 3.03Å; V370-N372 PolarHBondContact O-N 3.16Å
371M69.4Low57.5Low120 Ų12075 Ų7559%0.59140%0.404SS*.THydrogen-bonded Turntrans-77.9-4.8175.5-68.8177.758.500113.1R367 A368 R369 D373R367-M371 HydrophobicContact CG-CG 4.42Å; R367-M371 HydrophobicContact CG-SD 4Å; R367-M371 WeakPolarHBondContact O-CG 3.47Å; R367-M371 PolarHBondContact O-N 3.47Å; A368-M371 CarbonylContact O-C 3.5Å; A368-M371 PolarHBondContact O-N 3.3Å; R369-M371 VanDerWaalsContact C-N 3.3Å; R369-M371 PolarHBondContact O-N 3.09Å; M371-D373 PolarHBondContact O-N 3.48Å; M371-D373 VanDerWaalsContact O-N 3.13Å
372N68.1Low55.8Low152 Ų15274.1 Ų74.181%0.81340%0.402SS*.THydrogen-bonded Turntrans51.628.2-172.6-153.635000113.6A368 R369 V370A368-N372 PolarHBondContact O-N 2.96Å; R369-N372 PolarHBondContact O-N 3.11Å; V370-N372 PolarHBondContact O-N 3.16Å
373D67.5Low54.1Low40 Ų4076.7 Ų76.721%0.21442%0.416CS..  trans-127.288.5173.4-167-8.3000108.3A368 M371 R375A368-D373 WeakPolarHBondContact CB-O 3.15Å; A368-D373 CarbonylContact O-C 3.52Å; A368-D373 PolarHBondContact O-N 3.38Å; M371-D373 PolarHBondContact O-N 3.48Å; M371-D373 VanDerWaalsContact O-N 3.13Å; D373-R375 VanDerWaalsContact C-N 3.28Å; D373-R375 WeakPolarHBondContact OD1-CB 3.41Å; D373-R375 IonicContact OD1-CZ 3.09Å; D373-R375 PolarHBondContact OD1-N 3.44Å; D373-R375 IonicContact OD1-NE 3.07Å; D373-R375 PolarHBondContact OD1-NE 3.19Å; D373-R375 IonicContact OD1-NH2 3.45Å; D373-R375 PolarHBondContact OD1-NH2 3.21Å; D373-R375 IonicContact OD2-CZ 2.86Å; D373-R375 IonicContact OD2-NE 3.1Å; D373-R375 IonicContact OD2-NH2 2.9Å; D373-R375 PolarHBondContact OD2-NH2 2.78Å
374T66.2Low53.5Low50 Ų5076.7 Ų76.731%0.30741%0.413SS..  trans-89.26.7179.354.60000113A363 R369A363-T374 HydrophobicContact CB-CG2 4.49Å; R369-T374 HydrophobicContact CG-CG2 4.11Å
375R63.8Low53.3Low85 Ų8576.2 Ų76.232%0.32140%0.401SS..  trans-73.8142.1-178.9-61.5172.7-64.2-1761.4109.7I208 P336 D373I208-R375 HydrophobicContact CD1-CB 4.34Å; I208-R375 HydrophobicContact CG1-CB 4.26Å; P336-R375 HydrophobicContact CG-CB 4.44Å; D373-R375 VanDerWaalsContact C-N 3.28Å; D373-R375 WeakPolarHBondContact OD1-CB 3.41Å; D373-R375 IonicContact OD1-CZ 3.09Å; D373-R375 PolarHBondContact OD1-N 3.44Å; D373-R375 IonicContact OD1-NE 3.07Å; D373-R375 PolarHBondContact OD1-NE 3.19Å; D373-R375 IonicContact OD1-NH2 3.45Å; D373-R375 PolarHBondContact OD1-NH2 3.21Å; D373-R375 IonicContact OD2-CZ 2.86Å; D373-R375 IonicContact OD2-NE 3.1Å; D373-R375 IonicContact OD2-NH2 2.9Å; D373-R375 PolarHBondContact OD2-NH2 2.78Å
376G50.6Low53.3Low31 Ų3173.6 Ų73.632%0.3239%0.388SS..  trans109.9179.3175.200000114.6V362V362-G376 WeakPolarHBondContact CB-O 3.39Å; V362-G376 VanDerWaalsContact CG2-O 3.28Å; V362-G376 WeakPolarHBondContact CG2-O 3.49Å; V362-G376 PolarHBondContact N-O 2.85Å
377F39.3Very low53.5Low42 Ų4269.7 Ų69.718%0.18436%0.363CS..EExtended strand (participates in β ladder)trans-148.7144.3-169.9171.9-105.4000109.8I201 T359 L360 V362 P379I201-F377 HydrophobicContact CD1-CD1 3.49Å; I201-F377 VanDerWaalsContact CD1-CD1 3.49Å; I201-F377 HydrophobicContact CD1-CE1 3.97Å; T359-F377 VanDerWaalsContact C-CE2 3.46Å; T359-F377 VanDerWaalsContact CB-CE2 3.46Å; T359-F377 VanDerWaalsContact CB-CZ 3.42Å; T359-F377 HydrophobicContact CG2-CD2 4.05Å; T359-F377 HydrophobicContact CG2-CE2 3.02Å; T359-F377 HydrophobicContact CG2-CZ 3.36Å; T359-F377 VanDerWaalsContact OG1-CZ 3.32Å; T359-F377 WeakPolarHBondContact OG1-CZ 3.34Å; L360-F377 VanDerWaalsContact O-CD2 3.23Å; L360-F377 WeakPolarHBondContact O-CD2 3.3Å; V362-F377 VanDerWaalsContact CG2-N 3.31Å; F377-P379 HydrophobicContact CD1-CG 4.43Å; F377-P379 HydrophobicContact CE1-CB 3.81Å; F377-P379 VanDerWaalsContact CE1-CD 3.43Å; F377-P379 HydrophobicContact CE1-CG 3.79Å; F377-P379 HydrophobicContact CZ-CB 4.04Å; F377-P379 HydrophobicContact CZ-CG 4.49Å
378V39Very low53.5Low60 Ų6067.2 Ų67.236%0.36436%0.355SS..EExtended strand (participates in β ladder)trans-129.4109.1175.1-175.10000108.5L360 V362 I365L360-V378 VanDerWaalsContact CB-O 3.28Å; L360-V378 WeakPolarHBondContact CB-O 3.34Å; L360-V378 PolarHBondContact N-O 3.37Å; L360-V378 PolarHBondContact O-N 2.86Å; V362-V378 HydrophobicContact CG2-CG2 4.02Å; I365-V378 HydrophobicContact CD1-CG2 4.24Å
379P26.1Very low53.9Low82 Ų8266.9 Ų66.953%0.53235%0.352SS..  trans-72.9129.9163.726.9-24.3000108.8V358 F377V358-P379 WeakPolarHBondContact O-CA 3.27Å; V358-P379 VanDerWaalsContact O-CB 3.28Å; V358-P379 WeakPolarHBondContact O-CB 3.49Å; F377-P379 HydrophobicContact CD1-CG 4.43Å; F377-P379 HydrophobicContact CE1-CB 3.81Å; F377-P379 VanDerWaalsContact CE1-CD 3.43Å; F377-P379 HydrophobicContact CE1-CG 3.79Å; F377-P379 HydrophobicContact CZ-CB 4.04Å; F377-P379 HydrophobicContact CZ-CG 4.49Å
380Y35.4Very low54.4Low108 Ų10859.9 Ų59.942%0.42433%0.328SS..  trans-145.7139.1178.485.3-78.7000111V358 L360 A382V358-Y380 WeakPolarHBondContact CB-O 3.48Å; V358-Y380 HydrophobicContact CG1-CE1 4.39Å; V358-Y380 WeakPolarHBondContact CG1-O 3.2Å; V358-Y380 PolarHBondContact O-N 3.39Å; L360-Y380 HydrophobicContact CB-CD1 3.71Å; L360-Y380 HydrophobicContact CB-CE1 3.7Å; L360-Y380 HydrophobicContact CD1-CE1 4.31Å; L360-Y380 HydrophobicContact CD2-CD1 4.08Å; L360-Y380 HydrophobicContact CD2-CE1 3.88Å; L360-Y380 HydrophobicContact CG-CD1 4.46Å; L360-Y380 HydrophobicContact CG-CE1 4.17Å; Y380-A382 HydrophobicContact CD2-CB 3.89Å; Y380-A382 HydrophobicContact CE2-CB 3.44Å; Y380-A382 VanDerWaalsContact CE2-CB 3.44Å
381E27.7Very low54.8Low87 Ų8757.3 Ų57.341%0.40731%0.31SS..  trans-97.8133169.9-75.7-179.8158.100109.8G413E381-G413 PolarHBondContact O-N 3.41Å
382A32.9Very low54.9Low51 Ų5151.8 Ų51.842%0.42128%0.283SS..  trans-137.6138174.600000112.7Y380 E412Y380-A382 HydrophobicContact CD2-CB 3.89Å; Y380-A382 HydrophobicContact CE2-CB 3.44Å; Y380-A382 VanDerWaalsContact CE2-CB 3.44Å; A382-E412 HydrophobicContact CB-CG 4.28Å
383D34.6Very low55.1Low77 Ų7749.4 Ų49.441%0.41228%0.276SS..  trans-143.6157.1169.1-96.6-19.1000105.9R420D383-R420 IonicContact OD2-NH1 3.25Å; D383-R420 PolarHBondContact OD2-NH1 2.66Å
384S52Low55.1Low33 Ų3353.4 Ų53.423%0.23130%0.297CS..  cis-152.1160.18.293.20000111.7T386S384-T386 VanDerWaalsContact C-N 3.27Å; S384-T386 PolarHBondContact O-N 2.96Å; S384-T386 VanDerWaalsContact OG-CB 3.22Å; S384-T386 WeakPolarHBondContact OG-CB 3.39Å; S384-T386 PolarHBondContact OG-N 3.45Å; S384-T386 PolarHBondContact OG-OG1 3.47Å
385I62.5Low55.6Low55 Ų5553.1 Ų53.128%0.28229%0.293SS..  trans-76.7-5175.4-166165.2000114.1P387 F388 V389 F431 L435I385-P387 VanDerWaalsContact C-CD 3.46Å; I385-F388 HydrophobicContact CG1-CB 4.48Å; I385-F388 PolarHBondContact O-N 2.98Å; I385-F388 VanDerWaalsContact O-N 3.09Å; I385-V389 HydrophobicContact CG1-CG2 4.02Å; I385-V389 HydrophobicContact CG2-CG2 4.15Å; I385-V389 PolarHBondContact O-N 2.92Å; I385-F431 HydrophobicContact CD1-CE1 4.38Å; I385-L435 HydrophobicContact CD1-CD2 4.22Å
386T67.4Low56.2Low0 Ų050.6 Ų50.60%029%0.288CS..Hα-helixtrans-51-44.8-165.2-550000115.5S384 F388 V389 A390 Y399 Y405 Q423S384-T386 VanDerWaalsContact C-N 3.27Å; S384-T386 PolarHBondContact O-N 2.96Å; S384-T386 VanDerWaalsContact OG-CB 3.22Å; S384-T386 WeakPolarHBondContact OG-CB 3.39Å; S384-T386 PolarHBondContact OG-N 3.45Å; S384-T386 PolarHBondContact OG-OG1 3.47Å; T386-F388 VanDerWaalsContact C-N 3.32Å; T386-F388 PolarHBondContact O-N 3.05Å; T386-V389 PolarHBondContact O-N 3.32Å; T386-A390 WeakPolarHBondContact O-CB 3.39Å; T386-A390 PolarHBondContact O-N 3.23Å; T386-Y399 HydrophobicContact CG2-CE2 3.82Å; T386-Y405 HydrophobicContact CG2-CD2 3.82Å; T386-Y405 HydrophobicContact CG2-CG 4.07Å; T386-Q423 PolarHBondContact OG1-OE1 2.95Å; T386-Q423 VanDerWaalsContact OG1-OE1 3.04Å
387P66.3Low57.5Low12 Ų1255.9 Ų55.98%0.07830%0.302CS..Hα-helixtrans-64.9-33.6-179.1-13.623.6000114I385 N391 Y405 L409 L501I385-P387 VanDerWaalsContact C-CD 3.46Å; P387-N391 PolarHBondContact O-N 2.92Å; P387-N391 PolarHBondContact O-ND2 3.37Å; P387-Y405 HydrophobicContact CB-CE2 3.65Å; P387-Y405 HydrophobicContact CG-CE2 3.89Å; P387-L409 HydrophobicContact CG-CD2 4.08Å; P387-L501 HydrophobicContact CB-CD2 4.4Å; P387-L501 HydrophobicContact CG-CD1 3.34Å; P387-L501 HydrophobicContact CG-CD2 3.64Å; P387-L501 HydrophobicContact CG-CG 4.1Å
388F65.5Low59.3Low53 Ų5357.7 Ų57.723%0.23231%0.31CS..Hα-helixtrans-69.3-40.1-179.1-66.2-76.5000111I385 T386 S392 F473 A480I385-F388 HydrophobicContact CG1-CB 4.48Å; I385-F388 PolarHBondContact O-N 2.98Å; I385-F388 VanDerWaalsContact O-N 3.09Å; T386-F388 VanDerWaalsContact C-N 3.32Å; T386-F388 PolarHBondContact O-N 3.05Å; F388-S392 WeakPolarHBondContact O-CB 3.4Å; F388-S392 PolarHBondContact O-N 3.5Å; F388-F473 HydrophobicContact CB-CD1 4.2Å; F388-F473 HydrophobicContact CB-CE1 3.95Å; F388-F473 HydrophobicContact CB-CZ 4.44Å; F388-F473 HydrophobicContact CD1-CB 4.49Å; F388-F473 HydrophobicContact CD1-CD1 4.22Å; F388-F473 HydrophobicContact CD1-CG 4.35Å; F388-F473 WeakPolarHBondContact O-CE1 3.39Å; F388-A480 HydrophobicContact CE1-CB 4.07Å; F388-A480 HydrophobicContact CZ-CB 4.44Å
389V69.4Low61.3Low2 Ų255.3 Ų55.31%0.01230%0.295CS..Hα-helixtrans-71.8-47.9179.7-1700000110.8I385 T386 N391 S392 M395 S396 Y399 F431I385-V389 HydrophobicContact CG1-CG2 4.02Å; I385-V389 HydrophobicContact CG2-CG2 4.15Å; I385-V389 PolarHBondContact O-N 2.92Å; T386-V389 PolarHBondContact O-N 3.32Å; V389-N391 VanDerWaalsContact C-N 3.31Å; V389-N391 PolarHBondContact O-N 3Å; V389-S392 PolarHBondContact O-N 2.92Å; V389-M395 HydrophobicContact CG1-CB 3.96Å; V389-S396 PolarHBondContact O-N 2.62Å; V389-Y399 HydrophobicContact CB-CE1 4.02Å; V389-Y399 HydrophobicContact CB-CE2 4Å; V389-Y399 HydrophobicContact CG1-CD1 3.84Å; V389-Y399 HydrophobicContact CG1-CD2 4.47Å; V389-Y399 HydrophobicContact CG1-CE1 3.49Å; V389-Y399 VanDerWaalsContact CG1-CE1 3.49Å; V389-Y399 HydrophobicContact CG1-CE2 4.18Å; V389-Y399 HydrophobicContact CG1-CG 4.33Å; V389-Y399 HydrophobicContact CG2-CE1 4.48Å; V389-F431 HydrophobicContact CB-CD1 4.49Å; V389-F431 HydrophobicContact CB-CE1 4.32Å; V389-F431 HydrophobicContact CG1-CD1 4.08Å; V389-F431 HydrophobicContact CG1-CD2 4.28Å; V389-F431 HydrophobicContact CG1-CE1 4.03Å; V389-F431 HydrophobicContact CG1-CE2 4.2Å; V389-F431 HydrophobicContact CG1-CG 4.21Å; V389-F431 HydrophobicContact CG1-CZ 4.07Å; V389-F431 HydrophobicContact CG2-CD1 3.58Å; V389-F431 HydrophobicContact CG2-CE1 3.3Å; V389-F431 HydrophobicContact CG2-CG 4.48Å; V389-F431 HydrophobicContact CG2-CZ 4Å
390A74.3Confident63.9Low10 Ų1057.6 Ų57.68%0.08330%0.298CS..Hα-helixtrans-59.7-37.8-177.600000113.3T386 P402 Y405T386-A390 WeakPolarHBondContact O-CB 3.39Å; T386-A390 PolarHBondContact O-N 3.23Å; A390-P402 HydrophobicContact CB-CB 4.22Å; A390-Y405 HydrophobicContact CB-CD1 3.69Å; A390-Y405 HydrophobicContact CB-CE1 3.92Å; A390-Y405 HydrophobicContact CB-CG 4.03Å
391N72.5Confident66.3Low54 Ų5456.4 Ų56.429%0.28930%0.297SS..THydrogen-bonded Turntrans-91.5-2.7-178.6-68.1-70000114P387 V389 P393 Y405 T477 E479P387-N391 PolarHBondContact O-N 2.92Å; P387-N391 PolarHBondContact O-ND2 3.37Å; V389-N391 VanDerWaalsContact C-N 3.31Å; V389-N391 PolarHBondContact O-N 3Å; N391-P393 WeakPolarHBondContact O-CD 3.46Å; N391-Y405 PolarHBondContact ND2-OH 2.83Å; N391-Y405 VanDerWaalsContact ND2-OH 3.08Å; N391-T477 HydrophobicContact CB-CG2 3.47Å; N391-T477 VanDerWaalsContact CB-CG2 3.47Å; N391-E479 PolarHBondContact ND2-OE1 2.62Å
392S72.7Confident68.8Low4 Ų453.6 Ų53.63%0.02829%0.286CS..  trans-81.7120.7176.7175.80000110.3F388 V389 L394 M395 S396F388-S392 WeakPolarHBondContact O-CB 3.4Å; F388-S392 PolarHBondContact O-N 3.5Å; V389-S392 PolarHBondContact O-N 2.92Å; S392-L394 PolarHBondContact O-N 3.32Å; S392-L394 VanDerWaalsContact O-N 3.1Å; S392-L394 PolarHBondContact OG-N 2.86Å; S392-M395 PolarHBondContact O-N 3.45Å; S392-M395 VanDerWaalsContact O-N 3.16Å; S392-M395 PolarHBondContact OG-N 2.83Å; S392-S396 WeakPolarHBondContact O-CB 3.47Å; S392-S396 PolarHBondContact O-N 3.48Å; S392-S396 PolarHBondContact O-OG 3.42Å
393P70.5Confident71.1Confident102 Ų10257 Ų5766%0.66229%0.293SS*.THydrogen-bonded Turntrans-60.2-23.4173.4-20.231.8000112.8N391 T476N391-P393 WeakPolarHBondContact O-CD 3.46Å; P393-T476 HydrophobicContact CG-CG2 4.29Å
394L69Low73.3Confident124 Ų12456.8 Ų56.865%0.64929%0.292SS*.THydrogen-bonded Turntrans-90.7-22.6179.9-73.6168.4000113.5S392 F397S392-L394 PolarHBondContact O-N 3.32Å; S392-L394 VanDerWaalsContact O-N 3.1Å; S392-L394 PolarHBondContact OG-N 2.86Å; L394-F397 WeakPolarHBondContact O-CD1 3.32Å; L394-F397 WeakPolarHBondContact O-CE1 3.29Å
395M75.2Confident74.6Confident44 Ų4456 Ų5622%0.21728%0.284CS..THydrogen-bonded Turntrans-116.3-16.9-174.8-54.8-68.4178.500113.8V389 S392 F397 F398 F431V389-M395 HydrophobicContact CG1-CB 3.96Å; S392-M395 PolarHBondContact O-N 3.45Å; S392-M395 VanDerWaalsContact O-N 3.16Å; S392-M395 PolarHBondContact OG-N 2.83Å; M395-F397 PolarHBondContact O-N 3.41Å; M395-F397 VanDerWaalsContact O-N 3.08Å; M395-F398 HydrophobicContact CB-CD2 4.38Å; M395-F398 WeakPolarHBondContact O-CB 3.32Å; M395-F398 WeakPolarHBondContact O-CD2 3.5Å; M395-F398 PolarHBondContact O-N 2.95Å; M395-F398 HydrophobicContact SD-CD2 4.24Å; M395-F398 HydrophobicContact SD-CE2 3.84Å; M395-F431 HydrophobicContact CB-CE2 4.24Å; M395-F431 HydrophobicContact CB-CZ 4.27Å; M395-F431 HydrophobicContact CG-CE2 4.47Å; M395-F431 HydrophobicContact CG-CZ 4.3Å; M395-F431 HydrophobicContact SD-CE2 3.96Å; M395-F431 HydrophobicContact SD-CZ 4.12Å
396S76.6Confident75.3Confident31 Ų3159.2 Ų59.222%0.21730%0.296CS..G310 helixtrans-57.1-26.4-179.749.60000113.5V389 S392 F398 Y399V389-S396 PolarHBondContact O-N 2.62Å; S392-S396 WeakPolarHBondContact O-CB 3.47Å; S392-S396 PolarHBondContact O-N 3.48Å; S392-S396 PolarHBondContact O-OG 3.42Å; S396-F398 PolarHBondContact O-N 2.93Å; S396-F398 VanDerWaalsContact O-N 3.15Å; S396-Y399 PolarHBondContact O-N 3.29Å; S396-Y399 VanDerWaalsContact O-N 3.07Å
397F78.7Confident75.6Confident142 Ų14265.2 Ų65.262%0.62332%0.324SS*.G310 helixtrans-60.8-21.2175.780.2-99.2000114.1L394 M395 Y399L394-F397 WeakPolarHBondContact O-CD1 3.32Å; L394-F397 WeakPolarHBondContact O-CE1 3.29Å; M395-F397 PolarHBondContact O-N 3.41Å; M395-F397 VanDerWaalsContact O-N 3.08Å; F397-Y399 PolarHBondContact O-N 2.71Å
398F77.6Confident76.1Confident80 Ų8067.6 Ų67.635%0.35133%0.332SS..G310 helixtrans-75.2-12.5178-72.6-72.8000112.8M395 S396 N427 F431M395-F398 HydrophobicContact CB-CD2 4.38Å; M395-F398 WeakPolarHBondContact O-CB 3.32Å; M395-F398 WeakPolarHBondContact O-CD2 3.5Å; M395-F398 PolarHBondContact O-N 2.95Å; M395-F398 HydrophobicContact SD-CD2 4.24Å; M395-F398 HydrophobicContact SD-CE2 3.84Å; S396-F398 PolarHBondContact O-N 2.93Å; S396-F398 VanDerWaalsContact O-N 3.15Å; F398-N427 PolarHBondContact O-ND2 2.84Å; F398-F431 HydrophobicContact CB-CD2 3.66Å; F398-F431 HydrophobicContact CB-CE2 4.36Å; F398-F431 HydrophobicContact CB-CG 4.44Å; F398-F431 HydrophobicContact CD1-CD2 4.23Å; F398-F431 AromaticContact CD2-CD2 3.5Å; F398-F431 HydrophobicContact CD2-CD2 3.5Å; F398-F431 VanDerWaalsContact CD2-CD2 3.5Å; F398-F431 AromaticContact CD2-CE2 3.41Å; F398-F431 HydrophobicContact CD2-CE2 3.41Å; F398-F431 VanDerWaalsContact CD2-CE2 3.41Å; F398-F431 HydrophobicContact CE2-CD2 4.09Å; F398-F431 AromaticContact CE2-CE2 3.74Å; F398-F431 HydrophobicContact CE2-CE2 3.74Å; F398-F431 AromaticContact CG-CD2 3.56Å; F398-F431 HydrophobicContact CG-CD2 3.56Å; F398-F431 AromaticContact CG-CE2 3.99Å; F398-F431 HydrophobicContact CG-CE2 3.99Å
399Y80.1Confident76.2Confident11 Ų1165.7 Ų65.74%0.04332%0.324CS..  trans-107.6143.3-178.2-77.120000110T386 V389 S396 F397 N426 T428 F431T386-Y399 HydrophobicContact CG2-CE2 3.82Å; V389-Y399 HydrophobicContact CB-CE1 4.02Å; V389-Y399 HydrophobicContact CB-CE2 4Å; V389-Y399 HydrophobicContact CG1-CD1 3.84Å; V389-Y399 HydrophobicContact CG1-CD2 4.47Å; V389-Y399 HydrophobicContact CG1-CE1 3.49Å; V389-Y399 VanDerWaalsContact CG1-CE1 3.49Å; V389-Y399 HydrophobicContact CG1-CE2 4.18Å; V389-Y399 HydrophobicContact CG1-CG 4.33Å; V389-Y399 HydrophobicContact CG2-CE1 4.48Å; S396-Y399 PolarHBondContact O-N 3.29Å; S396-Y399 VanDerWaalsContact O-N 3.07Å; F397-Y399 PolarHBondContact O-N 2.71Å; Y399-N426 WeakPolarHBondContact CD2-ND2 3.31Å; Y399-T428 WeakPolarHBondContact OH-CG2 3.43Å; Y399-T428 PolarHBondContact OH-OG1 2.84Å; Y399-F431 HydrophobicContact CE1-CB 3.93Å; Y399-F431 HydrophobicContact CE1-CG 4.27Å
400E82.1Confident75.5Confident130 Ų13066.7 Ų66.761%0.60733%0.33SS*.SBendtrans-76.7-35.8180-67.3-173.7165.400112.4N426E400-N426 PolarHBondContact N-OD1 2.78Å; E400-N426 VanDerWaalsContact N-OD1 3.15Å
401H85.1Confident74.3Confident83 Ų8370.6 Ų70.638%0.38435%0.346SS..  trans-135.864.2-175.2-59.4-61.3000111.5E403 D404 W422 N426H401-E403 PolarHBondContact O-N 2.74Å; H401-D404 HydrophobicContact CB-CB 4.4Å; H401-D404 PolarHBondContact O-N 3.39Å; H401-W422 HydrophobicContact CB-CZ2 3.95Å; H401-N426 PolarHBondContact N-OD1 3.01Å
402P80.3Confident73Confident28 Ų2873 Ų7318%0.18236%0.356CS..THydrogen-bonded Turntrans-63.5-23.8-176.925.8-32.8000113.5A390 Y405A390-P402 HydrophobicContact CB-CB 4.22Å; P402-Y405 WeakPolarHBondContact O-CD1 3.45Å
403E80.3Confident71.6Confident123 Ų12375 Ų7558%0.57538%0.377SS*.THydrogen-bonded Turntrans-70.3-31.9176.652.1-76.3167.900114.4H401H401-E403 PolarHBondContact O-N 2.74Å
404D82Confident70.3Confident72 Ų7273.7 Ų73.739%0.38536%0.362SS..SBendtrans-91.1-2.9-169.1-74.2-22.3000113.8H401 K406 Q407 Y408 W422H401-D404 HydrophobicContact CB-CB 4.4Å; H401-D404 PolarHBondContact O-N 3.39Å; D404-K406 PolarHBondContact O-N 2.74Å; D404-Q407 WeakPolarHBondContact O-CG 3.48Å; D404-Y408 WeakPolarHBondContact O-CD2 3.47Å; D404-W422 HydrophobicContact CB-CZ2 3.95Å
405Y78.6Confident69.7Low15 Ų1576 Ų766%0.05936%0.363CS..G310 helixtrans-59.2-27.2-169.883.8-80.5000115T386 P387 A390 N391 P402 Q407 Y408 L409 W422T386-Y405 HydrophobicContact CG2-CD2 3.82Å; T386-Y405 HydrophobicContact CG2-CG 4.07Å; P387-Y405 HydrophobicContact CB-CE2 3.65Å; P387-Y405 HydrophobicContact CG-CE2 3.89Å; A390-Y405 HydrophobicContact CB-CD1 3.69Å; A390-Y405 HydrophobicContact CB-CE1 3.92Å; A390-Y405 HydrophobicContact CB-CG 4.03Å; N391-Y405 PolarHBondContact ND2-OH 2.83Å; N391-Y405 VanDerWaalsContact ND2-OH 3.08Å; P402-Y405 WeakPolarHBondContact O-CD1 3.45Å; Y405-Q407 VanDerWaalsContact C-N 3.3Å; Y405-Q407 PolarHBondContact O-N 3.3Å; Y405-Y408 CarbonylContact O-C 3.42Å; Y405-Y408 PolarHBondContact O-N 3Å; Y405-Y408 VanDerWaalsContact O-N 3.08Å; Y405-L409 HydrophobicContact CD2-CD1 4.32Å; Y405-L409 HydrophobicContact CD2-CD2 3.96Å; Y405-L409 HydrophobicContact CD2-CG 4.14Å; Y405-L409 HydrophobicContact CE2-CD1 4.06Å; Y405-L409 HydrophobicContact CE2-CD2 4.23Å; Y405-L409 HydrophobicContact CE2-CG 4.37Å; Y405-L409 PolarHBondContact O-N 3.45Å; Y405-W422 VanDerWaalsContact CA-CH2 3.41Å
406K76.5Confident69.1Low123 Ų12378 Ų7854%0.53537%0.371SS..G310 helixtrans-60-37.4-170.7-69.1179.5-178.1171.30113D404 Y408 P503D404-K406 PolarHBondContact O-N 2.74Å; K406-Y408 VanDerWaalsContact C-N 3.3Å; K406-P503 WeakPolarHBondContact O-CB 3.27Å; K406-P503 WeakPolarHBondContact O-CG 3.37Å
407Q75Confident68.8Low126 Ų12680.3 Ų80.359%0.58939%0.385SS*.G310 helixtrans-76.8-18.6-17970.7-167.1-37.600113.2D404 Y405D404-Q407 WeakPolarHBondContact O-CG 3.48Å; Y405-Q407 VanDerWaalsContact C-N 3.3Å; Y405-Q407 PolarHBondContact O-N 3.3Å
408Y76.7Confident68.7Low63 Ų6381.5 Ų81.525%0.24739%0.393CS..G310 helixtrans-102.914.2-179.6-56-75.6000112.8D404 Y405 K406 T410 A419 W422 Q423D404-Y408 WeakPolarHBondContact O-CD2 3.47Å; Y405-Y408 CarbonylContact O-C 3.42Å; Y405-Y408 PolarHBondContact O-N 3Å; Y405-Y408 VanDerWaalsContact O-N 3.08Å; K406-Y408 VanDerWaalsContact C-N 3.3Å; Y408-T410 PolarHBondContact O-N 3.22Å; Y408-A419 HydrophobicContact CD1-CB 4.49Å; Y408-W422 VanDerWaalsContact CB-CE3 3.46Å; Y408-W422 HydrophobicContact CD1-CB 3.58Å; Y408-W422 HydrophobicContact CD1-CD2 4.04Å; Y408-W422 HydrophobicContact CD1-CE3 4.44Å; Y408-W422 AromaticContact CD1-CG 3.65Å; Y408-W422 HydrophobicContact CD1-CG 3.65Å; Y408-W422 HydrophobicContact CD2-CB 4.35Å; Y408-W422 AromaticContact CD2-CD1 3.82Å; Y408-W422 AromaticContact CD2-CD2 3.15Å; Y408-W422 HydrophobicContact CD2-CD2 3.15Å; Y408-W422 AromaticContact CD2-CE2 3.28Å; Y408-W422 AromaticContact CD2-CE3 3.52Å; Y408-W422 HydrophobicContact CD2-CE3 3.52Å; Y408-W422 AromaticContact CD2-CG 3.53Å; Y408-W422 HydrophobicContact CD2-CG 3.53Å; Y408-W422 HydrophobicContact CD2-CH2 4.12Å; Y408-W422 AromaticContact CD2-CZ2 3.77Å; Y408-W422 HydrophobicContact CD2-CZ2 3.77Å; Y408-W422 AromaticContact CD2-CZ3 4Å; Y408-W422 HydrophobicContact CD2-CZ3 4Å; Y408-W422 AromaticContact CD2-NE1 3.67Å; Y408-W422 HydrophobicContact CE1-CB 3.72Å; Y408-W422 AromaticContact CE1-CD1 3.78Å; Y408-W422 HydrophobicContact CE1-CD2 4.35Å; Y408-W422 AromaticContact CE1-CG 3.65Å; Y408-W422 HydrophobicContact CE1-CG 3.65Å; Y408-W422 HydrophobicContact CE2-CB 4.47Å; Y408-W422 AromaticContact CE2-CD1 3.33Å; Y408-W422 AromaticContact CE2-CD2 3.53Å; Y408-W422 HydrophobicContact CE2-CD2 3.53Å; Y408-W422 AromaticContact CE2-CE2 3.32Å; Y408-W422 HydrophobicContact CE2-CE3 4.35Å; Y408-W422 AromaticContact CE2-CG 3.53Å; Y408-W422 HydrophobicContact CE2-CG 3.53Å; Y408-W422 HydrophobicContact CE2-CZ2 4.01Å; Y408-W422 AromaticContact CE2-NE1 3.18Å; Y408-W422 HydrophobicContact CG-CB 3.91Å; Y408-W422 AromaticContact CG-CD2 3.43Å; Y408-W422 HydrophobicContact CG-CD2 3.43Å; Y408-W422 VanDerWaalsContact CG-CD2 3.43Å; Y408-W422 AromaticContact CG-CE3 3.57Å; Y408-W422 HydrophobicContact CG-CE3 3.57Å; Y408-W422 AromaticContact CG-CG 3.57Å; Y408-W422 HydrophobicContact CG-CG 3.57Å; Y408-W422 HydrophobicContact CG-CZ3 4.31Å; Y408-W422 AromaticContact CZ-CD1 3.3Å; Y408-W422 AromaticContact CZ-CG 3.59Å; Y408-W422 AromaticContact CZ-NE1 3.65Å; Y408-Q423 PolarHBondContact O-NE2 3.31Å
409L67.8Low68.6Low12 Ų1278 Ų786%0.06338%0.378CS..PPolyproline II helixtrans-71.6124.6169.7-70.4172.9000109.5P387 Y405 L501 P503P387-L409 HydrophobicContact CG-CD2 4.08Å; Y405-L409 HydrophobicContact CD2-CD1 4.32Å; Y405-L409 HydrophobicContact CD2-CD2 3.96Å; Y405-L409 HydrophobicContact CD2-CG 4.14Å; Y405-L409 HydrophobicContact CE2-CD1 4.06Å; Y405-L409 HydrophobicContact CE2-CD2 4.23Å; Y405-L409 HydrophobicContact CE2-CG 4.37Å; Y405-L409 PolarHBondContact O-N 3.45Å; L409-L501 HydrophobicContact CD1-CB 4.45Å; L409-L501 HydrophobicContact CD2-CD1 4.28Å; L409-P503 HydrophobicContact CB-CG 4.43Å
410T54.6Low68.2Low23 Ų2381.3 Ų81.314%0.14139%0.391CS..PPolyproline II helixtrans-93.8148.4169.646.60000110.1Y408 E414 K416 A419Y408-T410 PolarHBondContact O-N 3.22Å; T410-E414 WeakPolarHBondContact CB-O 3.33Å; T410-K416 HydrophobicContact CG2-CB 3.97Å; T410-K416 HydrophobicContact CG2-CD 4.32Å; T410-K416 HydrophobicContact CG2-CG 4.33Å; T410-A419 HydrophobicContact CG2-CB 3.87Å
411H49.3Very low68Low93 Ų9378 Ų7843%0.43139%0.386SS..PPolyproline II helixtrans-75.2157.9168.8-65.9-49.9000111G413 E414 L501H411-G413 PolarHBondContact O-N 2.89Å; H411-E414 HydrophobicContact CB-CB 4.07Å; H411-E414 IonicContact CD2-OE2 2.62Å; H411-E414 PolarHBondContact CD2-OE2 3.3Å; H411-E414 IonicContact CG-OE2 3.32Å; H411-E414 PolarHBondContact N-OE2 2.95Å; H411-E414 WeakPolarHBondContact O-CB 3.29Å; H411-E414 PolarHBondContact O-N 3.28Å; H411-L501 PolarHBondContact ND1-O 2.83Å
412E44.3Very low67.9Low105 Ų10575.6 Ų75.649%0.49137%0.373SS..THydrogen-bonded Turntrans-52124.6170.6-73.5171.6-168.900109.5A382 E414 G499A382-E412 HydrophobicContact CB-CG 4.28Å; E412-E414 VanDerWaalsContact C-N 3.35Å; E412-G499 WeakPolarHBondContact OE1-CA 3.4Å; E412-G499 PolarHBondContact OE1-N 2.88Å; E412-G499 VanDerWaalsContact OE1-N 3.12Å; E412-G499 WeakPolarHBondContact OE2-CA 3.44Å; E412-G499 PolarHBondContact OE2-N 3Å
413G43.2Very low68Low46 Ų4674.5 Ų74.547%0.47437%0.366SS..THydrogen-bonded Turntrans75.39.8-176.600000116.5E381 H411E381-G413 PolarHBondContact O-N 3.41Å; H411-G413 PolarHBondContact O-N 2.89Å
414E44.1Very low67.9Low73 Ų7371.6 Ų71.634%0.34136%0.359SS..  trans-101.9110.3178-166.3-175.5-154.200111.5T410 H411 E412 K416T410-E414 WeakPolarHBondContact CB-O 3.33Å; H411-E414 HydrophobicContact CB-CB 4.07Å; H411-E414 IonicContact CD2-OE2 2.62Å; H411-E414 PolarHBondContact CD2-OE2 3.3Å; H411-E414 IonicContact CG-OE2 3.32Å; H411-E414 PolarHBondContact N-OE2 2.95Å; H411-E414 WeakPolarHBondContact O-CB 3.29Å; H411-E414 PolarHBondContact O-N 3.28Å; E412-E414 VanDerWaalsContact C-N 3.35Å; E414-K416 HydrophobicContact CG-CG 4.26Å; E414-K416 WeakPolarHBondContact OE1-CE 3.04Å; E414-K416 IonicContact OE1-NZ 2.82Å; E414-K416 PolarHBondContact OE1-NZ 3.08Å; E414-K416 IonicContact OE2-NZ 3.73Å; E414-K416 PolarHBondContact OE2-NZ 2.86Å
415Y55.2Low68Low173 Ų17371.1 Ų71.168%0.67837%0.365SS*.  trans-87.4109.2170.5-178.8-113.8000111.2P417 R420Y415-P417 HydrophobicContact CD1-CG 4.25Å; Y415-P417 HydrophobicContact CE1-CB 4.46Å; Y415-P417 HydrophobicContact CE1-CG 3.73Å; Y415-R420 HydrophobicContact CE2-CB 4.24Å; Y415-R420 HydrophobicContact CE2-CG 4.24Å
416K64.2Low68.3Low85 Ų8570.4 Ų70.437%0.3736%0.363SS..  trans-110.9109169.8-74.4179.7173.7134.30109.5T410 E414 E418 A419 R420T410-K416 HydrophobicContact CG2-CB 3.97Å; T410-K416 HydrophobicContact CG2-CD 4.32Å; T410-K416 HydrophobicContact CG2-CG 4.33Å; E414-K416 HydrophobicContact CG-CG 4.26Å; E414-K416 WeakPolarHBondContact OE1-CE 3.04Å; E414-K416 IonicContact OE1-NZ 2.82Å; E414-K416 PolarHBondContact OE1-NZ 3.08Å; E414-K416 IonicContact OE2-NZ 3.73Å; E414-K416 PolarHBondContact OE2-NZ 2.86Å; K416-E418 VanDerWaalsContact C-N 3.34Å; K416-E418 PolarHBondContact O-N 3.47Å; K416-A419 HydrophobicContact CB-CB 3.76Å; K416-A419 PolarHBondContact O-N 3.44Å; K416-A419 VanDerWaalsContact O-N 3.16Å; K416-R420 PolarHBondContact O-N 3.21Å
417P69.2Low68.7Low80 Ų8067.7 Ų67.752%0.51935%0.354SS..Hα-helixtrans-55.1-43.9-177.6-25.931.8000113.9Y415 R420 A421Y415-P417 HydrophobicContact CD1-CG 4.25Å; Y415-P417 HydrophobicContact CE1-CB 4.46Å; Y415-P417 HydrophobicContact CE1-CG 3.73Å; P417-R420 PolarHBondContact O-N 3.38Å; P417-A421 WeakPolarHBondContact O-CB 3.16Å; P417-A421 PolarHBondContact O-N 3.42Å
418E76.8Confident68.9Low167 Ų16761.9 Ų61.978%0.7833%0.327SS*.Hα-helixtrans-64.3-42.5178.8-66.6-178.9175.500112.2K416 A421 W422K416-E418 VanDerWaalsContact C-N 3.34Å; K416-E418 PolarHBondContact O-N 3.47Å; E418-A421 PolarHBondContact O-N 3.22Å; E418-W422 PolarHBondContact O-N 2.86Å
419A74.9Confident68.9Low6 Ų661.4 Ų61.45%0.0533%0.325CS..Hα-helixtrans-65.7-40.4175.900000111.1Y408 T410 K416 W422 Q423Y408-A419 HydrophobicContact CD1-CB 4.49Å; T410-A419 HydrophobicContact CG2-CB 3.87Å; K416-A419 HydrophobicContact CB-CB 3.76Å; K416-A419 PolarHBondContact O-N 3.44Å; K416-A419 VanDerWaalsContact O-N 3.16Å; A419-W422 PolarHBondContact O-N 3.16Å; A419-Q423 WeakPolarHBondContact O-CB 3.22Å; A419-Q423 WeakPolarHBondContact O-CG 3.44Å; A419-Q423 PolarHBondContact O-N 3.04Å
420R72.8Confident69.4Low82 Ų8262.5 Ų62.531%0.30934%0.339SS..Hα-helixtrans-61.6-45175.9-174.267.1178.9-159.55.5111.7D383 Y415 K416 P417 W422 Q423 S424 Y429D383-R420 IonicContact OD2-NH1 3.25Å; D383-R420 PolarHBondContact OD2-NH1 2.66Å; Y415-R420 HydrophobicContact CE2-CB 4.24Å; Y415-R420 HydrophobicContact CE2-CG 4.24Å; K416-R420 PolarHBondContact O-N 3.21Å; P417-R420 PolarHBondContact O-N 3.38Å; R420-W422 VanDerWaalsContact C-N 3.35Å; R420-Q423 PolarHBondContact O-N 2.8Å; R420-S424 WeakPolarHBondContact O-CB 3.48Å; R420-S424 PolarHBondContact O-N 3.25Å; R420-S424 PolarHBondContact O-OG 2.6Å; R420-Y429 WeakPolarHBondContact CD-OH 3.49Å; R420-Y429 PolarHBondContact NE-OH 2.78Å; R420-Y429 PolarHBondContact NH1-OH 2.66Å
421A76.8Confident70.6Confident61 Ų6162.3 Ų62.350%0.50434%0.336SS..Hα-helixtrans-60.8-45.1176.600000111.1P417 E418 S424 A425P417-A421 WeakPolarHBondContact O-CB 3.16Å; P417-A421 PolarHBondContact O-N 3.42Å; E418-A421 PolarHBondContact O-N 3.22Å; A421-S424 PolarHBondContact O-N 3.19Å; A421-A425 PolarHBondContact O-N 2.87Å
422W84.1Confident72Confident31 Ų3160.4 Ų60.412%0.11733%0.334CS..Hα-helixtrans-63.1-46.8176-174.790.9000112.5H401 D404 Y405 Y408 E418 A419 R420 S424 A425 N426H401-W422 HydrophobicContact CB-CZ2 3.95Å; D404-W422 HydrophobicContact CB-CZ2 3.95Å; Y405-W422 VanDerWaalsContact CA-CH2 3.41Å; Y408-W422 VanDerWaalsContact CB-CE3 3.46Å; Y408-W422 HydrophobicContact CD1-CB 3.58Å; Y408-W422 HydrophobicContact CD1-CD2 4.04Å; Y408-W422 HydrophobicContact CD1-CE3 4.44Å; Y408-W422 AromaticContact CD1-CG 3.65Å; Y408-W422 HydrophobicContact CD1-CG 3.65Å; Y408-W422 HydrophobicContact CD2-CB 4.35Å; Y408-W422 AromaticContact CD2-CD1 3.82Å; Y408-W422 AromaticContact CD2-CD2 3.15Å; Y408-W422 HydrophobicContact CD2-CD2 3.15Å; Y408-W422 AromaticContact CD2-CE2 3.28Å; Y408-W422 AromaticContact CD2-CE3 3.52Å; Y408-W422 HydrophobicContact CD2-CE3 3.52Å; Y408-W422 AromaticContact CD2-CG 3.53Å; Y408-W422 HydrophobicContact CD2-CG 3.53Å; Y408-W422 HydrophobicContact CD2-CH2 4.12Å; Y408-W422 AromaticContact CD2-CZ2 3.77Å; Y408-W422 HydrophobicContact CD2-CZ2 3.77Å; Y408-W422 AromaticContact CD2-CZ3 4Å; Y408-W422 HydrophobicContact CD2-CZ3 4Å; Y408-W422 AromaticContact CD2-NE1 3.67Å; Y408-W422 HydrophobicContact CE1-CB 3.72Å; Y408-W422 AromaticContact CE1-CD1 3.78Å; Y408-W422 HydrophobicContact CE1-CD2 4.35Å; Y408-W422 AromaticContact CE1-CG 3.65Å; Y408-W422 HydrophobicContact CE1-CG 3.65Å; Y408-W422 HydrophobicContact CE2-CB 4.47Å; Y408-W422 AromaticContact CE2-CD1 3.33Å; Y408-W422 AromaticContact CE2-CD2 3.53Å; Y408-W422 HydrophobicContact CE2-CD2 3.53Å; Y408-W422 AromaticContact CE2-CE2 3.32Å; Y408-W422 HydrophobicContact CE2-CE3 4.35Å; Y408-W422 AromaticContact CE2-CG 3.53Å; Y408-W422 HydrophobicContact CE2-CG 3.53Å; Y408-W422 HydrophobicContact CE2-CZ2 4.01Å; Y408-W422 AromaticContact CE2-NE1 3.18Å; Y408-W422 HydrophobicContact CG-CB 3.91Å; Y408-W422 AromaticContact CG-CD2 3.43Å; Y408-W422 HydrophobicContact CG-CD2 3.43Å; Y408-W422 VanDerWaalsContact CG-CD2 3.43Å; Y408-W422 AromaticContact CG-CE3 3.57Å; Y408-W422 HydrophobicContact CG-CE3 3.57Å; Y408-W422 AromaticContact CG-CG 3.57Å; Y408-W422 HydrophobicContact CG-CG 3.57Å; Y408-W422 HydrophobicContact CG-CZ3 4.31Å; Y408-W422 AromaticContact CZ-CD1 3.3Å; Y408-W422 AromaticContact CZ-CG 3.59Å; Y408-W422 AromaticContact CZ-NE1 3.65Å; E418-W422 PolarHBondContact O-N 2.86Å; A419-W422 PolarHBondContact O-N 3.16Å; R420-W422 VanDerWaalsContact C-N 3.35Å; W422-S424 PolarHBondContact O-N 3.41Å; W422-A425 PolarHBondContact O-N 2.9Å; W422-N426 HydrophobicContact CD2-CB 4.25Å; W422-N426 HydrophobicContact CE3-CB 4.06Å; W422-N426 HydrophobicContact CH2-CB 3.91Å; W422-N426 VanDerWaalsContact CH2-CG 3.5Å; W422-N426 WeakPolarHBondContact CH2-ND2 3.32Å; W422-N426 HydrophobicContact CZ2-CB 4.13Å; W422-N426 HydrophobicContact CZ3-CB 3.88Å; W422-N426 WeakPolarHBondContact O-CB 3.28Å; W422-N426 PolarHBondContact O-N 2.94Å
423Q81Confident73.6Confident5 Ų560.9 Ų60.92%0.02334%0.34CS..Hα-helixtrans-61.2-32.6177.2-66.6-72.9-7.700111.8T386 Y408 A419 R420 N427 T428 Y429T386-Q423 PolarHBondContact OG1-OE1 2.95Å; T386-Q423 VanDerWaalsContact OG1-OE1 3.04Å; Y408-Q423 PolarHBondContact O-NE2 3.31Å; A419-Q423 WeakPolarHBondContact O-CB 3.22Å; A419-Q423 WeakPolarHBondContact O-CG 3.44Å; A419-Q423 PolarHBondContact O-N 3.04Å; R420-Q423 PolarHBondContact O-N 2.8Å; Q423-N427 PolarHBondContact O-N 2.88Å; Q423-T428 VanDerWaalsContact O-CB 3.28Å; Q423-T428 WeakPolarHBondContact O-CB 3.39Å; Q423-T428 PolarHBondContact O-N 2.87Å; Q423-T428 PolarHBondContact O-OG1 2.82Å; Q423-T428 PolarHBondContact OE1-OG1 2.85Å; Q423-Y429 HydrophobicContact CB-CE2 3.97Å
424S79.9Confident75.6Confident62 Ų6260.4 Ų60.443%0.43434%0.335SS..Hα-helixtrans-72.6-43.5176.8-540000111.6R420 A421 W422 N426 N427 Y429R420-S424 WeakPolarHBondContact O-CB 3.48Å; R420-S424 PolarHBondContact O-N 3.25Å; R420-S424 PolarHBondContact O-OG 2.6Å; A421-S424 PolarHBondContact O-N 3.19Å; W422-S424 PolarHBondContact O-N 3.41Å; S424-N426 VanDerWaalsContact C-N 3.34Å; S424-N427 PolarHBondContact O-N 3.23Å; S424-Y429 WeakPolarHBondContact OG-CE2 3.41Å
425A82.5Confident77.4Confident62 Ų6260 Ų6051%0.51234%0.335SS..Hα-helixtrans-62.8-41.4172.900000111.5A421 W422 N427A421-A425 PolarHBondContact O-N 2.87Å; W422-A425 PolarHBondContact O-N 2.9Å; A425-N427 PolarHBondContact O-N 2.93Å
426N85.2Confident78.7Confident1 Ų153.2 Ų53.21%0.00532%0.317CS..THydrogen-bonded Turntrans-75.512.5180-16352.9000114.2Y399 E400 H401 W422 S424 T428Y399-N426 WeakPolarHBondContact CD2-ND2 3.31Å; E400-N426 PolarHBondContact N-OD1 2.78Å; E400-N426 VanDerWaalsContact N-OD1 3.15Å; H401-N426 PolarHBondContact N-OD1 3.01Å; W422-N426 HydrophobicContact CD2-CB 4.25Å; W422-N426 HydrophobicContact CE3-CB 4.06Å; W422-N426 HydrophobicContact CH2-CB 3.91Å; W422-N426 VanDerWaalsContact CH2-CG 3.5Å; W422-N426 WeakPolarHBondContact CH2-ND2 3.32Å; W422-N426 HydrophobicContact CZ2-CB 4.13Å; W422-N426 HydrophobicContact CZ3-CB 3.88Å; W422-N426 WeakPolarHBondContact O-CB 3.28Å; W422-N426 PolarHBondContact O-N 2.94Å; S424-N426 VanDerWaalsContact C-N 3.34Å; N426-T428 PolarHBondContact O-N 3.34Å; N426-T428 VanDerWaalsContact O-N 3.17Å
427N85Confident80Confident65 Ų6553.2 Ų53.235%0.34832%0.324SS..THydrogen-bonded Turntrans61.720.5174.7-163.236.5000115.9F398 Q423 S424 A425 Y429 G430 F431F398-N427 PolarHBondContact O-ND2 2.84Å; Q423-N427 PolarHBondContact O-N 2.88Å; S424-N427 PolarHBondContact O-N 3.23Å; A425-N427 PolarHBondContact O-N 2.93Å; N427-Y429 VanDerWaalsContact C-N 3.35Å; N427-Y429 PolarHBondContact O-N 2.51Å; N427-G430 PolarHBondContact O-N 3.47Å; N427-G430 WeakPolarHBondContact OD1-CA 3.19Å; N427-F431 PolarHBondContact O-N 2.93Å
428T78.8Confident80.9Confident4 Ų452.8 Ų52.83%0.02532%0.32CS..Hα-helixtrans-57.6-45.2178.7-65.70000112.1Y399 Q423 N426 S432Y399-T428 WeakPolarHBondContact OH-CG2 3.43Å; Y399-T428 PolarHBondContact OH-OG1 2.84Å; Q423-T428 VanDerWaalsContact O-CB 3.28Å; Q423-T428 WeakPolarHBondContact O-CB 3.39Å; Q423-T428 PolarHBondContact O-N 2.87Å; Q423-T428 PolarHBondContact O-OG1 2.82Å; Q423-T428 PolarHBondContact OE1-OG1 2.85Å; N426-T428 PolarHBondContact O-N 3.34Å; N426-T428 VanDerWaalsContact O-N 3.17Å; T428-S432 PolarHBondContact O-N 3.06Å; T428-S432 VanDerWaalsContact O-N 3.07Å
429Y77.7Confident81.5Confident53 Ų5350.6 Ų50.621%0.20831%0.309CS..Hα-helixtrans-74.5-32.9-179.7-57.5-65.3000112.7R420 Q423 S424 N427 S432 N433R420-Y429 WeakPolarHBondContact CD-OH 3.49Å; R420-Y429 PolarHBondContact NE-OH 2.78Å; R420-Y429 PolarHBondContact NH1-OH 2.66Å; Q423-Y429 HydrophobicContact CB-CE2 3.97Å; S424-Y429 WeakPolarHBondContact OG-CE2 3.41Å; N427-Y429 VanDerWaalsContact C-N 3.35Å; N427-Y429 PolarHBondContact O-N 2.51Å; Y429-S432 PolarHBondContact O-N 3.1Å; Y429-N433 WeakPolarHBondContact O-CB 3.29Å; Y429-N433 PolarHBondContact O-N 3.35Å; Y429-N433 PolarHBondContact O-ND2 3.47Å
430G78.9Confident82.4Confident35 Ų3554.4 Ų54.436%0.36133%0.332SS..Hα-helixtrans-63.2-44173.900000111.5N427 N433 G434N427-G430 PolarHBondContact O-N 3.47Å; N427-G430 WeakPolarHBondContact OD1-CA 3.19Å; G430-N433 PolarHBondContact O-N 3.49Å; G430-G434 PolarHBondContact O-N 2.89Å
431F79.5Confident83.4Confident19 Ų1954.4 Ų54.48%0.08334%0.337CS..Hα-helixtrans-61.5-48.1173.3180-96.1000112.3I385 V389 M395 F398 Y399 N427 N433 G434 L435I385-F431 HydrophobicContact CD1-CE1 4.38Å; V389-F431 HydrophobicContact CB-CD1 4.49Å; V389-F431 HydrophobicContact CB-CE1 4.32Å; V389-F431 HydrophobicContact CG1-CD1 4.08Å; V389-F431 HydrophobicContact CG1-CD2 4.28Å; V389-F431 HydrophobicContact CG1-CE1 4.03Å; V389-F431 HydrophobicContact CG1-CE2 4.2Å; V389-F431 HydrophobicContact CG1-CG 4.21Å; V389-F431 HydrophobicContact CG1-CZ 4.07Å; V389-F431 HydrophobicContact CG2-CD1 3.58Å; V389-F431 HydrophobicContact CG2-CE1 3.3Å; V389-F431 HydrophobicContact CG2-CG 4.48Å; V389-F431 HydrophobicContact CG2-CZ 4Å; M395-F431 HydrophobicContact CB-CE2 4.24Å; M395-F431 HydrophobicContact CB-CZ 4.27Å; M395-F431 HydrophobicContact CG-CE2 4.47Å; M395-F431 HydrophobicContact CG-CZ 4.3Å; M395-F431 HydrophobicContact SD-CE2 3.96Å; M395-F431 HydrophobicContact SD-CZ 4.12Å; F398-F431 HydrophobicContact CB-CD2 3.66Å; F398-F431 HydrophobicContact CB-CE2 4.36Å; F398-F431 HydrophobicContact CB-CG 4.44Å; F398-F431 HydrophobicContact CD1-CD2 4.23Å; F398-F431 AromaticContact CD2-CD2 3.5Å; F398-F431 HydrophobicContact CD2-CD2 3.5Å; F398-F431 VanDerWaalsContact CD2-CD2 3.5Å; F398-F431 AromaticContact CD2-CE2 3.41Å; F398-F431 HydrophobicContact CD2-CE2 3.41Å; F398-F431 VanDerWaalsContact CD2-CE2 3.41Å; F398-F431 HydrophobicContact CE2-CD2 4.09Å; F398-F431 AromaticContact CE2-CE2 3.74Å; F398-F431 HydrophobicContact CE2-CE2 3.74Å; F398-F431 AromaticContact CG-CD2 3.56Å; F398-F431 HydrophobicContact CG-CD2 3.56Å; F398-F431 AromaticContact CG-CE2 3.99Å; F398-F431 HydrophobicContact CG-CE2 3.99Å; Y399-F431 HydrophobicContact CE1-CB 3.93Å; Y399-F431 HydrophobicContact CE1-CG 4.27Å; N427-F431 PolarHBondContact O-N 2.93Å; F431-N433 VanDerWaalsContact C-N 3.32Å; F431-N433 PolarHBondContact O-N 3.42Å; F431-G434 WeakPolarHBondContact O-CA 3.4Å; F431-G434 PolarHBondContact O-N 3.31Å; F431-G434 VanDerWaalsContact O-N 3.1Å; F431-L435 PolarHBondContact O-N 2.85Å
432S77.3Confident84.3Confident54 Ų5452.4 Ų52.438%0.37832%0.318SS..Hα-helixtrans-57.8-44.4178.3-171.60000112T428 Y429 L435 G436T428-S432 PolarHBondContact O-N 3.06Å; T428-S432 VanDerWaalsContact O-N 3.07Å; Y429-S432 PolarHBondContact O-N 3.1Å; S432-L435 PolarHBondContact O-N 2.97Å; S432-G436 PolarHBondContact O-N 2.71Å
433N79Confident84.7Confident114 Ų11453.2 Ų53.261%0.6133%0.331SS*.Hα-helixtrans-64.1-41.1175.8-71.3-17.2000111.4Y429 G430 F431 G436 V437Y429-N433 WeakPolarHBondContact O-CB 3.29Å; Y429-N433 PolarHBondContact O-N 3.35Å; Y429-N433 PolarHBondContact O-ND2 3.47Å; G430-N433 PolarHBondContact O-N 3.49Å; F431-N433 VanDerWaalsContact C-N 3.32Å; F431-N433 PolarHBondContact O-N 3.42Å; N433-G436 PolarHBondContact O-N 2.85Å; N433-V437 WeakPolarHBondContact O-CG2 3.31Å; N433-V437 PolarHBondContact O-N 2.77Å
434G84.7Confident85.4Confident36 Ų3658.2 Ų58.237%0.37136%0.357SS..Hα-helixtrans-60.3-44.2175.700000112.9G430 F431 V437 V438G430-G434 PolarHBondContact O-N 2.89Å; F431-G434 WeakPolarHBondContact O-CA 3.4Å; F431-G434 PolarHBondContact O-N 3.31Å; F431-G434 VanDerWaalsContact O-N 3.1Å; G434-V437 PolarHBondContact O-N 3.28Å; G434-V438 WeakPolarHBondContact O-CG2 3.39Å; G434-V438 PolarHBondContact O-N 2.87Å
435L83Confident86.2Confident66 Ų6656.7 Ų56.735%0.34634%0.344SS..Hα-helixtrans-60.4-46.7175.3-166.581.2000111I385 F431 S432 V437 V438 E439I385-L435 HydrophobicContact CD1-CD2 4.22Å; F431-L435 PolarHBondContact O-N 2.85Å; S432-L435 PolarHBondContact O-N 2.97Å; L435-V437 VanDerWaalsContact C-N 3.32Å; L435-V437 PolarHBondContact O-N 2.63Å; L435-V438 PolarHBondContact O-N 3.27Å; L435-V438 VanDerWaalsContact O-N 3.15Å; L435-E439 PolarHBondContact O-N 3.3Å
436G82.3Confident86.8Confident29 Ų2956.7 Ų56.730%0.29934%0.338SS..Hα-helixtrans-59.6-40.3176.500000112.8S432 N433 E439 V440S432-G436 PolarHBondContact O-N 2.71Å; N433-G436 PolarHBondContact O-N 2.85Å; G436-E439 PolarHBondContact O-N 3.23Å; G436-V440 VanDerWaalsContact O-CG2 3.3Å; G436-V440 WeakPolarHBondContact O-CG2 3.43Å; G436-V440 PolarHBondContact O-N 3.44Å
437V90.1Very high87.3Confident86 Ų8662.8 Ų62.852%0.52137%0.37SS..Hα-helixtrans-63.6-42.9174.6170.60000111.5N433 G434 L435 E439 V440 I441N433-V437 WeakPolarHBondContact O-CG2 3.31Å; N433-V437 PolarHBondContact O-N 2.77Å; G434-V437 PolarHBondContact O-N 3.28Å; L435-V437 VanDerWaalsContact C-N 3.32Å; L435-V437 PolarHBondContact O-N 2.63Å; V437-E439 PolarHBondContact O-N 3.47Å; V437-V440 PolarHBondContact O-N 2.84Å; V437-I441 HydrophobicContact CG1-CD1 3.82Å; V437-I441 HydrophobicContact CG1-CG1 4.44Å; V437-I441 VanDerWaalsContact O-CG1 3.29Å; V437-I441 WeakPolarHBondContact O-CG1 3.36Å; V437-I441 PolarHBondContact O-N 3.39Å
438V89Confident87.7Confident71 Ų7160.9 Ų60.943%0.4336%0.363SS..Hα-helixtrans-61.4-44.2177.3170.60000111.1G434 L435 I441 I442G434-V438 WeakPolarHBondContact O-CG2 3.39Å; G434-V438 PolarHBondContact O-N 2.87Å; L435-V438 PolarHBondContact O-N 3.27Å; L435-V438 VanDerWaalsContact O-N 3.15Å; V438-I441 PolarHBondContact O-N 3.13Å; V438-I442 HydrophobicContact CG1-CD1 3.95Å; V438-I442 HydrophobicContact CG1-CG1 4.49Å; V438-I442 WeakPolarHBondContact O-CG1 3.43Å; V438-I442 PolarHBondContact O-N 3.1Å
439E89.7Confident88.3Confident120 Ų12064.6 Ų64.656%0.56138%0.383SS*.Hα-helixtrans-62.2-43.5177.4-71.7-179.8173.400112.1L435 G436 V437 I441 I442 A443L435-E439 PolarHBondContact O-N 3.3Å; G436-E439 PolarHBondContact O-N 3.23Å; V437-E439 PolarHBondContact O-N 3.47Å; E439-I441 VanDerWaalsContact C-N 3.34Å; E439-I441 PolarHBondContact O-N 2.89Å; E439-I442 PolarHBondContact O-N 2.95Å; E439-A443 WeakPolarHBondContact O-CB 3.21Å; E439-A443 PolarHBondContact O-N 3.31Å
440V92.4Very high89Confident87 Ų8767.7 Ų67.753%0.52741%0.409SS..Hα-helixtrans-62.3-41.1175.1171.70000111.1G436 V437 A443 L444G436-V440 VanDerWaalsContact O-CG2 3.3Å; G436-V440 WeakPolarHBondContact O-CG2 3.43Å; G436-V440 PolarHBondContact O-N 3.44Å; V437-V440 PolarHBondContact O-N 2.84Å; V440-A443 PolarHBondContact O-N 2.62Å; V440-L444 HydrophobicContact CG1-CD1 3.99Å; V440-L444 HydrophobicContact CG1-CG 4.34Å; V440-L444 WeakPolarHBondContact O-CB 3.32Å; V440-L444 VanDerWaalsContact O-CG 3.28Å; V440-L444 WeakPolarHBondContact O-CG 3.48Å; V440-L444 PolarHBondContact O-N 3.39Å
441I95.1Very high89.6Confident81 Ų8172.5 Ų72.542%0.41543%0.431SS..Hα-helixtrans-62.5-46175.7-70.6166.3000111V437 V438 E439 A443 L444 L445V437-I441 HydrophobicContact CG1-CD1 3.82Å; V437-I441 HydrophobicContact CG1-CG1 4.44Å; V437-I441 VanDerWaalsContact O-CG1 3.29Å; V437-I441 WeakPolarHBondContact O-CG1 3.36Å; V437-I441 PolarHBondContact O-N 3.39Å; V438-I441 PolarHBondContact O-N 3.13Å; E439-I441 VanDerWaalsContact C-N 3.34Å; E439-I441 PolarHBondContact O-N 2.89Å; I441-A443 VanDerWaalsContact C-N 3.31Å; I441-A443 PolarHBondContact O-N 2.9Å; I441-L444 PolarHBondContact O-N 2.79Å; I441-L445 HydrophobicContact CG2-CD1 3.98Å; I441-L445 HydrophobicContact CG2-CG 4.33Å; I441-L445 WeakPolarHBondContact O-CB 3.39Å; I441-L445 VanDerWaalsContact O-CG 3.32Å; I441-L445 WeakPolarHBondContact O-CG 3.4Å; I441-L445 PolarHBondContact O-N 2.95Å
442I94.2Very high90.3Very high19 Ų1974.8 Ų74.810%0.09745%0.445CS..Hα-helixtrans-58.7-46.2176.7-68.6169.6000109.9V438 E439 L444 L445 V446 M462 A463 T466V438-I442 HydrophobicContact CG1-CD1 3.95Å; V438-I442 HydrophobicContact CG1-CG1 4.49Å; V438-I442 WeakPolarHBondContact O-CG1 3.43Å; V438-I442 PolarHBondContact O-N 3.1Å; E439-I442 PolarHBondContact O-N 2.95Å; I442-L444 PolarHBondContact O-N 3.43Å; I442-L445 PolarHBondContact O-N 3.43Å; I442-V446 WeakPolarHBondContact O-CG2 3.42Å; I442-V446 PolarHBondContact O-N 3.44Å; I442-M462 HydrophobicContact CD1-CB 4.12Å; I442-M462 HydrophobicContact CD1-CE 4.3Å; I442-M462 HydrophobicContact CG1-CB 3.92Å; I442-M462 HydrophobicContact CG1-CE 3.89Å; I442-M462 HydrophobicContact CG1-SD 4.43Å; I442-A463 HydrophobicContact CG2-CB 3.8Å; I442-T466 HydrophobicContact CD1-CG2 4.2Å
443A93.8Very high91Very high49 Ų4982 Ų8241%0.40546%0.463SS..Hα-helixtrans-60.2-46.1177.600000112E439 V440 I441 L445 V446 L447E439-A443 WeakPolarHBondContact O-CB 3.21Å; E439-A443 PolarHBondContact O-N 3.31Å; V440-A443 PolarHBondContact O-N 2.62Å; I441-A443 VanDerWaalsContact C-N 3.31Å; I441-A443 PolarHBondContact O-N 2.9Å; A443-L445 PolarHBondContact O-N 2.82Å; A443-V446 PolarHBondContact O-N 2.95Å; A443-L447 WeakPolarHBondContact O-CB 3.5Å; A443-L447 VanDerWaalsContact O-CG 3.28Å; A443-L447 WeakPolarHBondContact O-CG 3.43Å; A443-L447 PolarHBondContact O-N 3.27Å
444L96.3Very high91.8Very high109 Ų10986.7 Ų86.757%0.57147%0.473SS*.Hα-helixtrans-63.3-39.7177-71.4173.8000112.3V440 I441 I442 L447 A448V440-L444 HydrophobicContact CG1-CD1 3.99Å; V440-L444 HydrophobicContact CG1-CG 4.34Å; V440-L444 WeakPolarHBondContact O-CB 3.32Å; V440-L444 VanDerWaalsContact O-CG 3.28Å; V440-L444 WeakPolarHBondContact O-CG 3.48Å; V440-L444 PolarHBondContact O-N 3.39Å; I441-L444 PolarHBondContact O-N 2.79Å; I442-L444 PolarHBondContact O-N 3.43Å; L444-L447 PolarHBondContact O-N 3.05Å; L444-A448 WeakPolarHBondContact O-CB 3.46Å; L444-A448 PolarHBondContact O-N 3.21Å
445L96.1Very high92.3Very high30 Ų3088.3 Ų88.316%0.15747%0.472CS..Hα-helixtrans-63.2-45.7175.5-74.5172.7000111.5I441 I442 A443 L447 A448 L455 G456 L458 M462I441-L445 HydrophobicContact CG2-CD1 3.98Å; I441-L445 HydrophobicContact CG2-CG 4.33Å; I441-L445 WeakPolarHBondContact O-CB 3.39Å; I441-L445 VanDerWaalsContact O-CG 3.32Å; I441-L445 WeakPolarHBondContact O-CG 3.4Å; I441-L445 PolarHBondContact O-N 2.95Å; I442-L445 PolarHBondContact O-N 3.43Å; A443-L445 PolarHBondContact O-N 2.82Å; L445-L447 VanDerWaalsContact C-N 3.34Å; L445-L447 PolarHBondContact O-N 3.21Å; L445-A448 WeakPolarHBondContact O-CB 3.4Å; L445-A448 PolarHBondContact O-N 3.05Å; L445-L455 HydrophobicContact CD2-CB 4.16Å; L445-L455 HydrophobicContact CD2-CD2 3.87Å; L445-L455 CarbonylContact O-C 3.57Å; L445-G456 VanDerWaalsContact O-CA 3.24Å; L445-G456 WeakPolarHBondContact O-CA 3.26Å; L445-G456 PolarHBondContact O-N 3.03Å; L445-L458 HydrophobicContact CD1-CD2 4.35Å; L445-M462 HydrophobicContact CD1-SD 3.89Å
446V94.8Very high92.8Very high62 Ų6285.5 Ų85.538%0.37646%0.459SS..Hα-helixtrans-60.5-44.8175.5172.60000110.8I442 A443 A448 N449 G459I442-V446 WeakPolarHBondContact O-CG2 3.42Å; I442-V446 PolarHBondContact O-N 3.44Å; A443-V446 PolarHBondContact O-N 2.95Å; V446-A448 PolarHBondContact O-N 2.91Å; V446-N449 VanDerWaalsContact O-CB 3.24Å; V446-N449 WeakPolarHBondContact O-CB 3.28Å; V446-N449 PolarHBondContact O-N 3.49Å; V446-G459 VanDerWaalsContact CG2-C 3.41Å
447L94.9Very high93.4Very high130 Ų13089.5 Ų89.568%0.68147%0.473SS*.Hα-helixtrans-66.5-22.1178.2-72.6171.8000113.3A443 L444 L445 N449 P450A443-L447 WeakPolarHBondContact O-CB 3.5Å; A443-L447 VanDerWaalsContact O-CG 3.28Å; A443-L447 WeakPolarHBondContact O-CG 3.43Å; A443-L447 PolarHBondContact O-N 3.27Å; L444-L447 PolarHBondContact O-N 3.05Å; L445-L447 VanDerWaalsContact C-N 3.34Å; L445-L447 PolarHBondContact O-N 3.21Å; L447-N449 PolarHBondContact O-N 3Å; L447-P450 WeakPolarHBondContact O-CD 3Å
448A93.8Very high93.6Very high24 Ų2489.5 Ų89.520%0.19847%0.47CS..THydrogen-bonded Turntrans-73.5-7.5175.500000113.6L444 L445 V446 P450 V451 N452 L455L444-A448 WeakPolarHBondContact O-CB 3.46Å; L444-A448 PolarHBondContact O-N 3.21Å; L445-A448 WeakPolarHBondContact O-CB 3.4Å; L445-A448 PolarHBondContact O-N 3.05Å; V446-A448 PolarHBondContact O-N 2.91Å; A448-P450 VanDerWaalsContact C-CD 3.41Å; A448-V451 PolarHBondContact O-N 3.43Å; A448-N452 PolarHBondContact O-N 3.08Å; A448-L455 HydrophobicContact CB-CB 4.05Å; A448-L455 HydrophobicContact CB-CD1 4.37Å
449N92.1Very high93.9Very high82 Ų8286.1 Ų86.144%0.43945%0.449SS..THydrogen-bonded Turntrans-50.1-42.3-178-173.732.3000115.2V446 L447 V451 N452V446-N449 VanDerWaalsContact O-CB 3.24Å; V446-N449 WeakPolarHBondContact O-CB 3.28Å; V446-N449 PolarHBondContact O-N 3.49Å; L447-N449 PolarHBondContact O-N 3Å; N449-V451 PolarHBondContact O-N 2.83Å; N449-N452 CarbonylContact O-C 3.59Å
450P92.7Very high94.1Very high118 Ų11882 Ų8277%0.76644%0.439SS*.THydrogen-bonded Turntrans-64.4-27.4177.7-2134.7000113.5L447 A448L447-P450 WeakPolarHBondContact O-CD 3Å; A448-P450 VanDerWaalsContact C-CD 3.41Å
451V91.9Very high94.2Very high136 Ų13682.9 Ų82.982%0.82444%0.441SS*.THydrogen-bonded Turntrans-94.3-40.8-176.6-177.20000111.2A448 N449A448-V451 PolarHBondContact O-N 3.43Å; N449-V451 PolarHBondContact O-N 2.83Å
452N94Very high94.1Very high68 Ų6882 Ų8236%0.36444%0.435SS..  trans-144.6104.9178.2-174.2-23.1000109.8A448 N449 W454 L455 G456A448-N452 PolarHBondContact O-N 3.08Å; N449-N452 CarbonylContact O-C 3.59Å; N452-W454 PolarHBondContact O-N 3.25Å; N452-W454 WeakPolarHBondContact OD1-CB 3.25Å; N452-W454 PolarHBondContact OD1-N 3.09Å; N452-L455 HydrophobicContact CB-CB 4.23Å; N452-L455 HydrophobicContact CB-CD1 3.96Å; N452-L455 HydrophobicContact CB-CG 4.09Å; N452-L455 PolarHBondContact O-N 3.47Å; N452-L455 VanDerWaalsContact O-N 3.11Å; N452-L455 PolarHBondContact OD1-N 3.41Å; N452-G456 PolarHBondContact O-N 3.12Å
453R92Very high93.9Very high205 Ų20582.9 Ų82.977%0.77445%0.446SS*.Hα-helixtrans-59.4-29.6-180-68.4-175.4175173-1.5113.4L457R453-L457 VanDerWaalsContact O-CB 3.26Å; R453-L457 WeakPolarHBondContact O-CB 3.32Å; R453-L457 PolarHBondContact O-N 3Å
454W95.1Very high93.7Very high213 Ų21388.2 Ų88.281%0.80746%0.46SS*.Hα-helixtrans-68.9-41.3176.4-91.6101.6000112.1N452 L457 L458N452-W454 PolarHBondContact O-N 3.25Å; N452-W454 WeakPolarHBondContact OD1-CB 3.25Å; N452-W454 PolarHBondContact OD1-N 3.09Å; W454-L457 PolarHBondContact O-N 3.32Å; W454-L458 WeakPolarHBondContact O-CB 3.49Å; W454-L458 PolarHBondContact O-N 2.82Å
455L94.5Very high93.1Very high69 Ų6986 Ų8636%0.36145%0.451SS..Hα-helixtrans-67.5-42.5175.6-67.2177.5000111.4L445 A448 N452 L457 L458 G459L445-L455 HydrophobicContact CD2-CB 4.16Å; L445-L455 HydrophobicContact CD2-CD2 3.87Å; L445-L455 CarbonylContact O-C 3.57Å; A448-L455 HydrophobicContact CB-CB 4.05Å; A448-L455 HydrophobicContact CB-CD1 4.37Å; N452-L455 HydrophobicContact CB-CB 4.23Å; N452-L455 HydrophobicContact CB-CD1 3.96Å; N452-L455 HydrophobicContact CB-CG 4.09Å; N452-L455 PolarHBondContact O-N 3.47Å; N452-L455 VanDerWaalsContact O-N 3.11Å; N452-L455 PolarHBondContact OD1-N 3.41Å; L455-L457 VanDerWaalsContact C-N 3.33Å; L455-L457 PolarHBondContact O-N 3.39Å; L455-L458 PolarHBondContact O-N 3.2Å; L455-G459 PolarHBondContact O-N 2.81Å
456G93.8Very high92.5Very high7 Ų787.8 Ų87.87%0.07246%0.463CS..Hα-helixtrans-55.3-47.117300000112.9L445 N452 G459 G460L445-G456 VanDerWaalsContact O-CA 3.24Å; L445-G456 WeakPolarHBondContact O-CA 3.26Å; L445-G456 PolarHBondContact O-N 3.03Å; N452-G456 PolarHBondContact O-N 3.12Å; G456-G459 PolarHBondContact O-N 2.93Å; G456-G460 PolarHBondContact O-N 2.89Å
457L94.9Very high91.8Very high114 Ų11488.2 Ų88.260%0.59747%0.467SS*.Hα-helixtrans-67.9-38.8179.4-165.3143.3000111.9R453 W454 L455 G460 L461R453-L457 VanDerWaalsContact O-CB 3.26Å; R453-L457 WeakPolarHBondContact O-CB 3.32Å; R453-L457 PolarHBondContact O-N 3Å; W454-L457 PolarHBondContact O-N 3.32Å; L455-L457 VanDerWaalsContact C-N 3.33Å; L455-L457 PolarHBondContact O-N 3.39Å; L457-G460 PolarHBondContact O-N 3.04Å; L457-L461 WeakPolarHBondContact O-CB 3.34Å; L457-L461 PolarHBondContact O-N 3.33Å
458L95.5Very high91.1Very high85 Ų8587.2 Ų87.245%0.44546%0.462SS..Hα-helixtrans-61.1-48.2173.2-177.766.9000111.5L445 W454 L455 G460 L461 M462L445-L458 HydrophobicContact CD1-CD2 4.35Å; W454-L458 WeakPolarHBondContact O-CB 3.49Å; W454-L458 PolarHBondContact O-N 2.82Å; L455-L458 PolarHBondContact O-N 3.2Å; L458-G460 VanDerWaalsContact C-N 3.34Å; L458-G460 PolarHBondContact O-N 3.05Å; L458-L461 PolarHBondContact O-N 2.97Å; L458-M462 HydrophobicContact CG-SD 4.37Å; L458-M462 WeakPolarHBondContact O-CG 3.42Å; L458-M462 PolarHBondContact O-N 2.9Å
459G94.7Very high90.2Very high0 Ų089 Ų890%047%0.47CS..Hα-helixtrans-60.4-43.1176.100000112.3V446 L455 G456 L461 M462 A463V446-G459 VanDerWaalsContact CG2-C 3.41Å; L455-G459 PolarHBondContact O-N 2.81Å; G456-G459 PolarHBondContact O-N 2.93Å; G459-L461 PolarHBondContact O-N 3.11Å; G459-M462 PolarHBondContact O-N 3.17Å; G459-A463 WeakPolarHBondContact O-CB 3.09Å; G459-A463 PolarHBondContact O-N 2.65Å
460G93.9Very high89.2Confident34 Ų3488 Ų8835%0.35147%0.468SS..Hα-helixtrans-63-40.2175.900000113G456 L457 L458 A463 F464G456-G460 PolarHBondContact O-N 2.89Å; L457-G460 PolarHBondContact O-N 3.04Å; L458-G460 VanDerWaalsContact C-N 3.34Å; L458-G460 PolarHBondContact O-N 3.05Å; G460-A463 PolarHBondContact O-N 2.78Å; G460-F464 WeakPolarHBondContact O-CB 3.28Å; G460-F464 PolarHBondContact O-N 3.05Å
461L93.7Very high88.2Confident106 Ų10686.9 Ų86.956%0.55546%0.455SS*.Hα-helixtrans-65.9-43.3175.7-169118.6000111.3L457 L458 G459 F464 T465L457-L461 WeakPolarHBondContact O-CB 3.34Å; L457-L461 PolarHBondContact O-N 3.33Å; L458-L461 PolarHBondContact O-N 2.97Å; G459-L461 PolarHBondContact O-N 3.11Å; L461-F464 WeakPolarHBondContact O-CB 3.34Å; L461-F464 PolarHBondContact O-N 3.42Å; L461-T465 WeakPolarHBondContact O-CG2 3.21Å; L461-T465 PolarHBondContact O-N 2.9Å; L461-T465 VanDerWaalsContact O-N 3.13Å
462M92.6Very high87.3Confident62 Ų6281.8 Ų81.831%0.30543%0.425SS..Hα-helixtrans-62.8-45.5174.9-69.3178.672.500111.6I442 L445 L458 G459 F464 T465 T466I442-M462 HydrophobicContact CD1-CB 4.12Å; I442-M462 HydrophobicContact CD1-CE 4.3Å; I442-M462 HydrophobicContact CG1-CB 3.92Å; I442-M462 HydrophobicContact CG1-CE 3.89Å; I442-M462 HydrophobicContact CG1-SD 4.43Å; L445-M462 HydrophobicContact CD1-SD 3.89Å; L458-M462 HydrophobicContact CG-SD 4.37Å; L458-M462 WeakPolarHBondContact O-CG 3.42Å; L458-M462 PolarHBondContact O-N 2.9Å; G459-M462 PolarHBondContact O-N 3.17Å; M462-F464 VanDerWaalsContact C-N 3.26Å; M462-F464 PolarHBondContact O-N 3.08Å; M462-T465 PolarHBondContact O-N 2.81Å; M462-T465 PolarHBondContact O-OG1 3Å; M462-T466 PolarHBondContact O-N 2.91Å
463A90.6Very high86.1Confident38 Ų3880.8 Ų80.831%0.31442%0.418SS..Hα-helixtrans-59.3-37.717400000111.9I442 G459 G460 T465 T466 P467I442-A463 HydrophobicContact CG2-CB 3.8Å; G459-A463 WeakPolarHBondContact O-CB 3.09Å; G459-A463 PolarHBondContact O-N 2.65Å; G460-A463 PolarHBondContact O-N 2.78Å; A463-T465 PolarHBondContact O-N 2.82Å; A463-T466 PolarHBondContact O-N 3.3Å; A463-T466 PolarHBondContact O-OG1 3.27Å; A463-P467 WeakPolarHBondContact O-CD 3.31Å
464F89.1Confident84.8Confident161 Ų16173 Ų7371%0.70639%0.391SS*.Hα-helixtrans-67.5-23.5175.9-174.2-96.8000113.3G460 L461 M462 P467G460-F464 WeakPolarHBondContact O-CB 3.28Å; G460-F464 PolarHBondContact O-N 3.05Å; L461-F464 WeakPolarHBondContact O-CB 3.34Å; L461-F464 PolarHBondContact O-N 3.42Å; M462-F464 VanDerWaalsContact C-N 3.26Å; M462-F464 PolarHBondContact O-N 3.08Å; F464-P467 VanDerWaalsContact O-CD 3.29Å; F464-P467 WeakPolarHBondContact O-CD 3.32Å
465T85.4Confident83.5Confident63 Ų6369.2 Ų69.239%0.38739%0.385SS..Hα-helixtrans-82.8-17.6175.1600000113.9L461 M462 A463 P467 L468 V469L461-T465 WeakPolarHBondContact O-CG2 3.21Å; L461-T465 PolarHBondContact O-N 2.9Å; L461-T465 VanDerWaalsContact O-N 3.13Å; M462-T465 PolarHBondContact O-N 2.81Å; M462-T465 PolarHBondContact O-OG1 3Å; A463-T465 PolarHBondContact O-N 2.82Å; T465-P467 VanDerWaalsContact C-CD 3.49Å; T465-L468 VanDerWaalsContact O-CB 3.32Å; T465-L468 WeakPolarHBondContact O-CB 3.27Å; T465-L468 PolarHBondContact O-N 3.05Å; T465-V469 PolarHBondContact O-N 3.19Å
466T83.4Confident82.2Confident66 Ų6668.1 Ų68.141%0.40538%0.381SS..Hα-helixtrans-62.5-36.2-178.3670000113.7I442 M462 A463 L468 V469 T470I442-T466 HydrophobicContact CD1-CG2 4.2Å; M462-T466 PolarHBondContact O-N 2.91Å; A463-T466 PolarHBondContact O-N 3.3Å; A463-T466 PolarHBondContact O-OG1 3.27Å; T466-L468 PolarHBondContact O-N 2.94Å; T466-V469 WeakPolarHBondContact O-CB 3.45Å; T466-V469 PolarHBondContact O-N 2.99Å; T466-T470 PolarHBondContact O-N 2.84Å; T466-T470 VanDerWaalsContact O-N 3.11Å; T466-T470 PolarHBondContact O-OG1 2.82Å
467P79.1Confident80.7Confident72 Ų7267.9 Ų67.947%0.46838%0.379SS..Hα-helixtrans-64.6-25.7173.5-21.335000113.2A463 F464 T465 V469 T470 L471A463-P467 WeakPolarHBondContact O-CD 3.31Å; F464-P467 VanDerWaalsContact O-CD 3.29Å; F464-P467 WeakPolarHBondContact O-CD 3.32Å; T465-P467 VanDerWaalsContact C-CD 3.49Å; P467-V469 VanDerWaalsContact C-N 3.31Å; P467-T470 WeakPolarHBondContact O-CB 3.4Å; P467-T470 PolarHBondContact O-N 2.8Å; P467-L471 WeakPolarHBondContact O-CB 3.33Å; P467-L471 PolarHBondContact O-N 3.22Å
468L80.5Confident78.9Confident108 Ų10866.4 Ų66.457%0.56538%0.376SS*.Hα-helixtrans-69.2-33.4174.2-62.5174.3000111.1T465 T466 L471 S472T465-L468 VanDerWaalsContact O-CB 3.32Å; T465-L468 WeakPolarHBondContact O-CB 3.27Å; T465-L468 PolarHBondContact O-N 3.05Å; T466-L468 PolarHBondContact O-N 2.94Å; L468-L471 CarbonylContact O-C 3.49Å; L468-L471 PolarHBondContact O-N 3.06Å; L468-S472 PolarHBondContact O-N 2.88Å
469V74.7Confident76.8Confident62 Ų6267.5 Ų67.538%0.37638%0.378SS..Hα-helixtrans-65.4-45.8171.4-176.70000109.4T465 T466 P467 L471 S472 F473T465-V469 PolarHBondContact O-N 3.19Å; T466-V469 WeakPolarHBondContact O-CB 3.45Å; T466-V469 PolarHBondContact O-N 2.99Å; P467-V469 VanDerWaalsContact C-N 3.31Å; V469-L471 VanDerWaalsContact C-N 3.3Å; V469-L471 PolarHBondContact O-N 3.22Å; V469-S472 WeakPolarHBondContact O-CB 3.36Å; V469-S472 PolarHBondContact O-N 2.95Å; V469-S472 VanDerWaalsContact O-N 3.07Å; V469-S472 PolarHBondContact O-OG 3.09Å; V469-F473 HydrophobicContact CG1-CE2 3.85Å; V469-F473 HydrophobicContact CG1-CZ 4.31Å; V469-F473 VanDerWaalsContact O-CD2 3.27Å; V469-F473 WeakPolarHBondContact O-CD2 3.45Å; V469-F473 PolarHBondContact O-N 2.99Å
470T70.1Confident74.7Confident62 Ų6268.5 Ų68.538%0.3839%0.387SS..Hα-helixtrans-57.5-42.9172.6-48.10000112T466 P467 S472 F473 L474T466-T470 PolarHBondContact O-N 2.84Å; T466-T470 VanDerWaalsContact O-N 3.11Å; T466-T470 PolarHBondContact O-OG1 2.82Å; P467-T470 WeakPolarHBondContact O-CB 3.4Å; P467-T470 PolarHBondContact O-N 2.8Å; T470-S472 VanDerWaalsContact C-N 3.29Å; T470-S472 PolarHBondContact O-N 2.86Å; T470-F473 PolarHBondContact O-N 2.98Å; T470-L474 PolarHBondContact O-N 2.65Å
471L72.9Confident72.7Confident94 Ų9472.4 Ų72.449%0.49239%0.391SS..Hα-helixtrans-67.3-29.2177-152.393.7000112.2P467 L468 V469 F473 L474P467-L471 WeakPolarHBondContact O-CB 3.33Å; P467-L471 PolarHBondContact O-N 3.22Å; L468-L471 CarbonylContact O-C 3.49Å; L468-L471 PolarHBondContact O-N 3.06Å; V469-L471 VanDerWaalsContact C-N 3.3Å; V469-L471 PolarHBondContact O-N 3.22Å; L471-F473 VanDerWaalsContact C-N 3.35Å; L471-L474 HydrophobicContact CD1-CD1 3.84Å; L471-L474 HydrophobicContact CG-CD1 4.22Å; L471-L474 VanDerWaalsContact O-CB 3.24Å; L471-L474 WeakPolarHBondContact O-CB 3.48Å; L471-L474 PolarHBondContact O-N 3.27Å
472S72.9Confident70.2Confident29 Ų2970.9 Ų70.920%0.20339%0.386CS..Hα-helixtrans-65.5-40.2174.879.20000111.3L468 V469 T470 L474 I475 T476L468-S472 PolarHBondContact O-N 2.88Å; V469-S472 WeakPolarHBondContact O-CB 3.36Å; V469-S472 PolarHBondContact O-N 2.95Å; V469-S472 VanDerWaalsContact O-N 3.07Å; V469-S472 PolarHBondContact O-OG 3.09Å; T470-S472 VanDerWaalsContact C-N 3.29Å; T470-S472 PolarHBondContact O-N 2.86Å; S472-L474 PolarHBondContact O-N 2.9Å; S472-I475 PolarHBondContact O-N 2.81Å; S472-T476 PolarHBondContact O-N 3.49Å; S472-T476 PolarHBondContact O-OG1 3.1Å; S472-T476 VanDerWaalsContact O-OG1 3.13Å
473F67.8Low67.6Low47 Ų4773.2 Ų73.221%0.20641%0.406CS..Hα-helixtrans-63-30.9175.3-65.1-58.5000112.4F388 V469 T470 L471 I475 T477F388-F473 HydrophobicContact CB-CD1 4.2Å; F388-F473 HydrophobicContact CB-CE1 3.95Å; F388-F473 HydrophobicContact CB-CZ 4.44Å; F388-F473 HydrophobicContact CD1-CB 4.49Å; F388-F473 HydrophobicContact CD1-CD1 4.22Å; F388-F473 HydrophobicContact CD1-CG 4.35Å; F388-F473 WeakPolarHBondContact O-CE1 3.39Å; V469-F473 HydrophobicContact CG1-CE2 3.85Å; V469-F473 HydrophobicContact CG1-CZ 4.31Å; V469-F473 VanDerWaalsContact O-CD2 3.27Å; V469-F473 WeakPolarHBondContact O-CD2 3.45Å; V469-F473 PolarHBondContact O-N 2.99Å; T470-F473 PolarHBondContact O-N 2.98Å; L471-F473 VanDerWaalsContact C-N 3.35Å; F473-I475 PolarHBondContact O-N 3.45Å; F473-T477 PolarHBondContact O-N 3.07Å; F473-T477 VanDerWaalsContact O-N 3.09Å; F473-T477 PolarHBondContact O-OG1 2.85Å
474L64.7Low65.1Low40 Ų4076 Ų7621%0.20943%0.429CS..Hα-helixtrans-58-34.1172.4-66.1-172.8000111.5T470 L471 S472 W481 P493T470-L474 PolarHBondContact O-N 2.65Å; L471-L474 HydrophobicContact CD1-CD1 3.84Å; L471-L474 HydrophobicContact CG-CD1 4.22Å; L471-L474 VanDerWaalsContact O-CB 3.24Å; L471-L474 WeakPolarHBondContact O-CB 3.48Å; L471-L474 PolarHBondContact O-N 3.27Å; S472-L474 PolarHBondContact O-N 2.9Å; L474-W481 HydrophobicContact CB-CH2 3.98Å; L474-W481 HydrophobicContact CB-CZ2 3.41Å; L474-W481 VanDerWaalsContact CB-CZ2 3.41Å; L474-W481 HydrophobicContact CD1-CH2 4.09Å; L474-W481 HydrophobicContact CD1-CZ2 4.38Å; L474-W481 HydrophobicContact CD2-CH2 3.56Å; L474-W481 HydrophobicContact CD2-CZ2 3.52Å; L474-W481 HydrophobicContact CD2-CZ3 4.2Å; L474-W481 HydrophobicContact CG-CH2 4.08Å; L474-W481 HydrophobicContact CG-CZ2 3.94Å; L474-W481 WeakPolarHBondContact O-CZ2 3.3Å; L474-W481 PolarHBondContact O-NE1 3.26Å; L474-P493 HydrophobicContact CD2-CB 3.43Å; L474-P493 VanDerWaalsContact CD2-CB 3.43Å; L474-P493 HydrophobicContact CD2-CG 3.63Å
475I69.4Low62.8Low135 Ų13573 Ų7369%0.69242%0.419SS*.Hα-helixtrans-92.2-41.2-177.6-57.6173.1000111.4S472 F473S472-I475 PolarHBondContact O-N 2.81Å; F473-I475 PolarHBondContact O-N 3.45Å
476T65.7Low60.5Low45 Ų4572.1 Ų72.128%0.27642%0.423SS..Hα-helixtrans-84.6-18.9-170.959.40000114P393 S472 P478P393-T476 HydrophobicContact CG-CG2 4.29Å; S472-T476 PolarHBondContact O-N 3.49Å; S472-T476 PolarHBondContact O-OG1 3.1Å; S472-T476 VanDerWaalsContact O-OG1 3.13Å; T476-P478 WeakPolarHBondContact O-CD 3.39Å
477T64.1Low58.2Low3 Ų373 Ų732%0.01843%0.425CS..  trans-124.162.4-179.133.20000111.9N391 F473 E479 A480N391-T477 HydrophobicContact CB-CG2 3.47Å; N391-T477 VanDerWaalsContact CB-CG2 3.47Å; F473-T477 PolarHBondContact O-N 3.07Å; F473-T477 VanDerWaalsContact O-N 3.09Å; F473-T477 PolarHBondContact O-OG1 2.85Å; T477-E479 PolarHBondContact O-N 3.4Å; T477-A480 WeakPolarHBondContact O-CB 3.27Å; T477-A480 PolarHBondContact O-N 3.45Å
478P56.1Low56.4Low82 Ų8274.5 Ų74.553%0.53244%0.444SS..G310 helixtrans-57.8-27.8179.424.7-34.1000113.5T476 A480 W481T476-P478 WeakPolarHBondContact O-CD 3.39Å; P478-A480 PolarHBondContact O-N 3.17Å; P478-W481 WeakPolarHBondContact O-CB 3.43Å; P478-W481 VanDerWaalsContact O-CD1 3.26Å; P478-W481 PolarHBondContact O-N 2.94Å
479E51.7Low54.2Low108 Ų10877.1 Ų77.151%0.50545%0.453SS..G310 helixtrans-65.8-19.7175.865.9-84-165.900113.6N391 T477 W481N391-E479 PolarHBondContact ND2-OE1 2.62Å; T477-E479 PolarHBondContact O-N 3.4Å; E479-W481 PolarHBondContact O-N 3.39Å
480A51.1Low52.5Low21 Ų2180.6 Ų80.617%0.17447%0.465CS..G310 helixtrans-84.714.117100000112.4F388 T477 P478 Y494F388-A480 HydrophobicContact CE1-CB 4.07Å; F388-A480 HydrophobicContact CZ-CB 4.44Å; T477-A480 WeakPolarHBondContact O-CB 3.27Å; T477-A480 PolarHBondContact O-N 3.45Å; P478-A480 PolarHBondContact O-N 3.17Å; A480-Y494 WeakPolarHBondContact O-CD2 3.49Å; A480-Y494 WeakPolarHBondContact O-CE2 3.49Å
481W50.9Low50.6Low117 Ų11781.1 Ų81.144%0.44348%0.482SS..PPolyproline II helixtrans-102143175.5-67.874.8000112.7L474 P478 E479L474-W481 HydrophobicContact CB-CH2 3.98Å; L474-W481 HydrophobicContact CB-CZ2 3.41Å; L474-W481 VanDerWaalsContact CB-CZ2 3.41Å; L474-W481 HydrophobicContact CD1-CH2 4.09Å; L474-W481 HydrophobicContact CD1-CZ2 4.38Å; L474-W481 HydrophobicContact CD2-CH2 3.56Å; L474-W481 HydrophobicContact CD2-CZ2 3.52Å; L474-W481 HydrophobicContact CD2-CZ3 4.2Å; L474-W481 HydrophobicContact CG-CH2 4.08Å; L474-W481 HydrophobicContact CG-CZ2 3.94Å; L474-W481 WeakPolarHBondContact O-CZ2 3.3Å; L474-W481 PolarHBondContact O-NE1 3.26Å; P478-W481 WeakPolarHBondContact O-CB 3.43Å; P478-W481 VanDerWaalsContact O-CD1 3.26Å; P478-W481 PolarHBondContact O-N 2.94Å; E479-W481 PolarHBondContact O-N 3.39Å
482V42.4Very low48.5Very low74 Ų7484.9 Ų84.945%0.44850%0.495SS..PPolyproline II helixtrans-88.8125.7166.3-172.30000107.9Y494 R500V482-Y494 HydrophobicContact CG2-CE2 4.02Å; V482-R500 VanDerWaalsContact CG2-NH1 3.32Å
483P36.3Very low46.6Very low111 Ų11185.2 Ų85.272%0.72150%0.496SS*.PPolyproline II helixtrans-56.8142174-22.231.4000110.9L485P483-L485 PolarHBondContact O-N 2.69Å
484A38.4Very low45.2Very low96 Ų9687 Ų8779%0.79350%0.502SS*.  trans-55.597.9175.900000110.5G486A484-G486 PolarHBondContact O-N 3.37Å
485L40.8Very low43.6Very low97 Ų9790.9 Ų90.951%0.50852%0.523SS..  trans-64.8125.2161.1-65166.7000104.8P483 D487P483-L485 PolarHBondContact O-N 2.69Å; L485-D487 PolarHBondContact O-N 3.41Å
486G37.3Very low41.8Very low46 Ų4690.4 Ų90.447%0.47453%0.531SS..SBendtrans-66.962.2-169.500000115.6A484 R574A484-G486 PolarHBondContact O-N 3.37Å; G486-R574 PolarHBondContact O-NH2 3.21Å
487D35.3Very low39.9Very low84 Ų8491.2 Ų91.245%0.44955%0.549SS..SBendtrans-140.8129.4169.5155.513.3000105L485 H489 H490L485-D487 PolarHBondContact O-N 3.41Å; D487-H489 PolarHBondContact O-N 2.87Å; D487-H489 VanDerWaalsContact O-N 3.08Å; D487-H489 WeakPolarHBondContact OD1-CB 3.39Å; D487-H489 IonicContact OD1-CD2 3.32Å; D487-H489 PolarHBondContact OD1-CD2 2.93Å; D487-H489 VanDerWaalsContact OD1-CD2 3.32Å; D487-H489 IonicContact OD1-CG 3.73Å; D487-H489 PolarHBondContact OD1-N 3.03Å; D487-H490 IonicContact OD2-CE1 3.16Å; D487-H490 IonicContact OD2-ND1 2.85Å
488A40.9Very low38.3Very low104 Ų10495.3 Ų95.386%0.8658%0.583SS**THydrogen-bonded Turntrans-67.5-1.5-174.300000115.1
489H35.7Very low37Very low162 Ų16292.5 Ų92.575%0.7557%0.569SS**THydrogen-bonded Turntrans-915.6-175.6-72.2-67000116.5D487D487-H489 PolarHBondContact O-N 2.87Å; D487-H489 VanDerWaalsContact O-N 3.08Å; D487-H489 WeakPolarHBondContact OD1-CB 3.39Å; D487-H489 IonicContact OD1-CD2 3.32Å; D487-H489 PolarHBondContact OD1-CD2 2.93Å; D487-H489 VanDerWaalsContact OD1-CD2 3.32Å; D487-H489 IonicContact OD1-CG 3.73Å; D487-H489 PolarHBondContact OD1-N 3.03Å
490H37.5Very low36Very low136 Ų13692.5 Ų92.563%0.6356%0.564SS**  trans-128.686.6-175.4-63.184.6000112.8D487D487-H490 IonicContact OD2-CE1 3.16Å; D487-H490 IonicContact OD2-ND1 2.85Å
491G30.1Very low34.7Very low72 Ų7294.5 Ų94.574%0.74257%0.572SS**  trans-146.870.4172.500000111.1
492F29.2Very low33.7Very low173 Ų17391.8 Ų91.876%0.75958%0.58SS**  trans-138.2136.2166.8-145.2-96.5000110.1
493P33.5Very low32.9Very low36 Ų3690.9 Ų90.923%0.23458%0.576CS.*  trans-65.6160.1177.526.9-35.7000112.9L474 L495L474-P493 HydrophobicContact CD2-CB 3.43Å; L474-P493 VanDerWaalsContact CD2-CB 3.43Å; L474-P493 HydrophobicContact CD2-CG 3.63Å; P493-L495 PolarHBondContact O-N 3.04Å
494Y39.1Very low32.3Very low85 Ų8589 Ų8933%0.33358%0.576SS.*SBendtrans-43.756.6-177.8-95.4-117.2000117.7A480 V482 R500A480-Y494 WeakPolarHBondContact O-CD2 3.49Å; A480-Y494 WeakPolarHBondContact O-CE2 3.49Å; V482-Y494 HydrophobicContact CG2-CE2 4.02Å; Y494-R500 HydrophobicContact CE1-CB 3.79Å; Y494-R500 WeakPolarHBondContact OH-CD 3.38Å
495L30.4Very low31.8Very low121 Ų12195.4 Ų95.463%0.63458%0.582SS**SBendtrans-123.2106.4166.6-69.6168.6000106.6P493P493-L495 PolarHBondContact O-N 3.04Å
496S30.7Very low30.9Very low125 Ų12597.6 Ų97.687%0.87459%0.594SS**SBendtrans8391.9-174.577.90000116
497G27.5Very low30.3Very low62 Ų62104.5 Ų104.564%0.63961%0.614SS**  trans178.180.6171.300000113.6
498A29.9Very low29.7Very low90 Ų90107.8 Ų107.874%0.74463%0.631SS**SBendtrans11.1105.4160.600000117
499G29.4Very low28.8Very low23 Ų23107.3 Ų107.324%0.23762%0.617CS.*  trans65.376.9154.600000116.5E412 R555E412-G499 WeakPolarHBondContact OE1-CA 3.4Å; E412-G499 PolarHBondContact OE1-N 2.88Å; E412-G499 VanDerWaalsContact OE1-N 3.12Å; E412-G499 WeakPolarHBondContact OE2-CA 3.44Å; E412-G499 PolarHBondContact OE2-N 3Å; G499-R555 PolarHBondContact O-NH1 3.09Å
500R29.2Very low28Very low108 Ų108110.4 Ų110.441%0.40862%0.622SS.*  trans-150.281.5172.5-69.7-169.9-177.6-174.12.5114.3V482 Y494V482-R500 VanDerWaalsContact CG2-NH1 3.32Å; Y494-R500 HydrophobicContact CE1-CB 3.79Å; Y494-R500 WeakPolarHBondContact OH-CD 3.38Å
501L24.6Very low27.5Very low63 Ų63113 Ų11333%0.3363%0.628SS.*  trans-144.1116.9146.6-70.9172.5000108.4P387 L409 H411P387-L501 HydrophobicContact CB-CD2 4.4Å; P387-L501 HydrophobicContact CG-CD1 3.34Å; P387-L501 HydrophobicContact CG-CD2 3.64Å; P387-L501 HydrophobicContact CG-CG 4.1Å; L409-L501 HydrophobicContact CD1-CB 4.45Å; L409-L501 HydrophobicContact CD2-CD1 4.28Å; H411-L501 PolarHBondContact ND1-O 2.83Å
502G28.9Very low27.2Very low60 Ų60116.5 Ų116.562%0.61963%0.63SS**  trans-119.6138.6175.600000109.9
503P25.7Very low27.2Very low55 Ų55116.8 Ų116.836%0.35763%0.631SS.*  trans-71.7151.1163.1-8.224.5000110.3K406 L409 Y505K406-P503 WeakPolarHBondContact O-CB 3.27Å; K406-P503 WeakPolarHBondContact O-CG 3.37Å; L409-P503 HydrophobicContact CB-CG 4.43Å; P503-Y505 PolarHBondContact O-N 2.9Å
504G24.8Very low27.1Very low71 Ų71124 Ų12473%0.73266%0.662SS**  trans-49.9125.5175.800000112.1N506G504-N506 PolarHBondContact O-N 3.41Å
505Y27Very low27Very low231 Ų231124.4 Ų124.491%0.90667%0.669SS**  trans-69113.8168.6-125.2-100.3000107.5P503 E507P503-Y505 PolarHBondContact O-N 2.9Å; Y505-E507 PolarHBondContact O-N 2.97Å
506N23Very low27.6Very low143 Ų143122.5 Ų122.577%0.76566%0.662SS**  trans-52.6123.1171.8-91-29.5000110.1G504 N508G504-N506 PolarHBondContact O-N 3.41Å; N506-N508 PolarHBondContact O-N 3.05Å
507E24.4Very low28.3Very low191 Ų191123.7 Ų123.789%0.89365%0.654SS**SBendtrans-66.89.9-177.3-95.4-176.7161.900115.6Y505Y505-E507 PolarHBondContact O-N 2.97Å
508N21.8Very low29.6Very low153 Ų153126 Ų12682%0.81865%0.652SS**  trans-119.437.4-167.7-71.6-28000115.4N506N506-N508 PolarHBondContact O-N 3.05Å
509V22.9Very low31.1Very low93 Ų93125.5 Ų125.556%0.56463%0.634SS**  trans-12183.1164.3-1590000110.2Y511V509-Y511 HydrophobicContact CB-CD2 4.3Å; V509-Y511 HydrophobicContact CB-CE2 4.15Å; V509-Y511 HydrophobicContact CG1-CD2 3.49Å; V509-Y511 VanDerWaalsContact CG1-CD2 3.49Å; V509-Y511 HydrophobicContact CG1-CE1 4.44Å; V509-Y511 HydrophobicContact CG1-CE2 3.18Å; V509-Y511 HydrophobicContact CG1-CG 4.25Å; V509-Y511 PolarHBondContact O-N 2.78Å
510R19.7Very low32.7Very low227 Ų227128.8 Ų128.886%0.85764%0.644SS**  trans-65.597.1160-77-173.3-176.7-173.70.6108D512R510-D512 PolarHBondContact O-N 2.9Å
511Y25.5Very low34.7Very low190 Ų190127.6 Ų127.675%0.74565%0.645SS**  trans-83.388.3159.5-78.8-75.3000108.2V509 K513V509-Y511 HydrophobicContact CB-CD2 4.3Å; V509-Y511 HydrophobicContact CB-CE2 4.15Å; V509-Y511 HydrophobicContact CG1-CD2 3.49Å; V509-Y511 VanDerWaalsContact CG1-CD2 3.49Å; V509-Y511 HydrophobicContact CG1-CE1 4.44Å; V509-Y511 HydrophobicContact CG1-CE2 3.18Å; V509-Y511 HydrophobicContact CG1-CG 4.25Å; V509-Y511 PolarHBondContact O-N 2.78Å; Y511-K513 VanDerWaalsContact C-N 3.3Å; Y511-K513 PolarHBondContact O-N 2.96Å
512D24.6Very low37.1Very low146 Ų146130.5 Ų130.578%0.78165%0.652SS**  trans-77.686.6155.7-80.6-35.1000107.3R510R510-D512 PolarHBondContact O-N 2.9Å
513K29.1Very low39.2Very low179 Ų179131 Ų13178%0.77864%0.638SS**  trans-145.7140.9166.6-75.7-164.1176.3179.70110.8Y511Y511-K513 VanDerWaalsContact C-N 3.3Å; Y511-K513 PolarHBondContact O-N 2.96Å
514E31.8Very low41.6Very low189 Ų189134.7 Ų134.788%0.88365%0.648SS**  trans-38.4133.8177.1-67.1171143.900112.8T516E514-T516 PolarHBondContact O-N 2.99Å
515L36.8Very low44.1Very low92 Ų92133.2 Ų133.248%0.48262%0.623SS.*  trans-47112-177.8-82.9150.4000111E519 M520 Q523L515-E519 WeakPolarHBondContact CA-OE2 3.34Å; L515-E519 HydrophobicContact CD2-CB 3.59Å; L515-M520 HydrophobicContact CB-CG 4.29Å; L515-Q523 VanDerWaalsContact CD2-NE2 3.35Å
516T43.1Very low46.8Very low81 Ų81122.2 Ų122.250%0.49758%0.58SS.*  trans-64.3153.7175.651.90000110.4E514 N518 E519 M520E514-T516 PolarHBondContact O-N 2.99Å; T516-N518 PolarHBondContact O-N 3.16Å; T516-E519 PolarHBondContact N-OE2 3.07Å; T516-E519 VanDerWaalsContact N-OE2 3.08Å; T516-E519 WeakPolarHBondContact O-CA 3.49Å; T516-E519 WeakPolarHBondContact O-CB 3.43Å; T516-E519 PolarHBondContact O-N 3.17Å; T516-E519 PolarHBondContact OG1-OE2 3.02Å; T516-M520 PolarHBondContact O-N 3.4Å; T516-M520 VanDerWaalsContact O-N 3.09Å
517E45.4Very low49.5Very low151 Ų151120 Ų12071%0.70657%0.565SS**Hα-helixtrans-51.1-34.7-179.7-169.2177.2-169.100112.9M520 I521E517-M520 PolarHBondContact O-N 3.43Å; E517-I521 WeakPolarHBondContact O-CG1 3.14Å; E517-I521 PolarHBondContact O-N 2.94Å; E517-I521 VanDerWaalsContact O-N 3.12Å
518N55.1Low52.2Low109 Ų109117 Ų11758%0.58355%0.551SS**Hα-helixtrans-67.2-35.3174.3-78.4-29.6000113.8T516 R522T516-N518 PolarHBondContact O-N 3.16Å; N518-R522 VanDerWaalsContact O-CG 3.3Å; N518-R522 WeakPolarHBondContact O-CG 3.43Å; N518-R522 PolarHBondContact O-N 3.35Å
519E59.6Low55.2Low80 Ų80110 Ų11037%0.37451%0.514SS..Hα-helixtrans-73.3-37.8175.5-72173144.400111.7L515 T516 I521 R522 Q523L515-E519 WeakPolarHBondContact CA-OE2 3.34Å; L515-E519 HydrophobicContact CD2-CB 3.59Å; T516-E519 PolarHBondContact N-OE2 3.07Å; T516-E519 VanDerWaalsContact N-OE2 3.08Å; T516-E519 WeakPolarHBondContact O-CA 3.49Å; T516-E519 WeakPolarHBondContact O-CB 3.43Å; T516-E519 PolarHBondContact O-N 3.17Å; T516-E519 PolarHBondContact OG1-OE2 3.02Å; E519-I521 VanDerWaalsContact C-N 3.3Å; E519-I521 PolarHBondContact O-N 3.3Å; E519-R522 WeakPolarHBondContact O-CB 3.23Å; E519-R522 PolarHBondContact O-N 2.74Å; E519-Q523 WeakPolarHBondContact O-CB 3.49Å; E519-Q523 WeakPolarHBondContact O-CG 3.27Å; E519-Q523 PolarHBondContact O-N 3.45Å
520M64.2Low58.2Low93 Ų93105.6 Ų105.646%0.45849%0.487SS..Hα-helixtrans-59.5-42172.1-65.3-160.8-48.800111.7L515 T516 E517 Q523 K524L515-M520 HydrophobicContact CB-CG 4.29Å; T516-M520 PolarHBondContact O-N 3.4Å; T516-M520 VanDerWaalsContact O-N 3.09Å; E517-M520 PolarHBondContact O-N 3.43Å; M520-Q523 PolarHBondContact O-N 2.9Å; M520-K524 WeakPolarHBondContact O-CG 3.39Å; M520-K524 PolarHBondContact O-N 3.01Å
521I70.7Confident61.2Low83 Ų8398.9 Ų98.943%0.42647%0.465SS..Hα-helixtrans-63.1-46.2175.7-68.5166.4000110.4E517 E519 Q523 K524 I525E517-I521 WeakPolarHBondContact O-CG1 3.14Å; E517-I521 PolarHBondContact O-N 2.94Å; E517-I521 VanDerWaalsContact O-N 3.12Å; E519-I521 VanDerWaalsContact C-N 3.3Å; E519-I521 PolarHBondContact O-N 3.3Å; I521-Q523 VanDerWaalsContact C-N 3.34Å; I521-Q523 PolarHBondContact O-N 2.88Å; I521-K524 PolarHBondContact O-N 3.38Å; I521-I525 HydrophobicContact CG2-CD1 3.76Å; I521-I525 HydrophobicContact CG2-CG1 4.38Å; I521-I525 WeakPolarHBondContact O-CG1 3.38Å; I521-I525 PolarHBondContact O-N 2.93Å
522R74.7Confident64Low124 Ų12492.2 Ų92.247%0.46844%0.439SS..Hα-helixtrans-58.5-44.3176.4-78.1171.2-175.5-1742112.2N518 E519 I525 L526 Y552 L560N518-R522 VanDerWaalsContact O-CG 3.3Å; N518-R522 WeakPolarHBondContact O-CG 3.43Å; N518-R522 PolarHBondContact O-N 3.35Å; E519-R522 WeakPolarHBondContact O-CB 3.23Å; E519-R522 PolarHBondContact O-N 2.74Å; R522-I525 PolarHBondContact O-N 2.97Å; R522-L526 VanDerWaalsContact O-CB 3.31Å; R522-L526 WeakPolarHBondContact O-CB 3.47Å; R522-L526 PolarHBondContact O-N 3.22Å; R522-Y552 WeakPolarHBondContact CG-OH 3.34Å; R522-L560 HydrophobicContact CB-CD1 4.09Å; R522-L560 HydrophobicContact CG-CD1 4.13Å
523Q74.3Confident67.1Low69 Ų6985.2 Ų85.232%0.32240%0.402SS..Hα-helixtrans-62.2-46.3176.2-77.2-174.2-9.700111.6L515 E519 M520 I521 L526 Q527 F564L515-Q523 VanDerWaalsContact CD2-NE2 3.35Å; E519-Q523 WeakPolarHBondContact O-CB 3.49Å; E519-Q523 WeakPolarHBondContact O-CG 3.27Å; E519-Q523 PolarHBondContact O-N 3.45Å; M520-Q523 PolarHBondContact O-N 2.9Å; I521-Q523 VanDerWaalsContact C-N 3.34Å; I521-Q523 PolarHBondContact O-N 2.88Å; Q523-L526 PolarHBondContact O-N 3.36Å; Q523-Q527 WeakPolarHBondContact O-CB 3.21Å; Q523-Q527 PolarHBondContact O-N 3.41Å; Q523-F564 HydrophobicContact CG-CE2 3.59Å; Q523-F564 HydrophobicContact CG-CZ 3.88Å
524K75.2Confident69.8Low134 Ų13477.5 Ų77.558%0.58337%0.368SS*.Hα-helixtrans-62.5-43.2177-77.5-175.8178.2-1770112.8M520 I521 L526 Q527 Q528M520-K524 WeakPolarHBondContact O-CG 3.39Å; M520-K524 PolarHBondContact O-N 3.01Å; I521-K524 PolarHBondContact O-N 3.38Å; K524-L526 VanDerWaalsContact C-N 3.3Å; K524-L526 PolarHBondContact O-N 2.98Å; K524-Q527 WeakPolarHBondContact O-CB 3.41Å; K524-Q527 PolarHBondContact O-N 3.19Å; K524-Q528 WeakPolarHBondContact O-CG 3.49Å; K524-Q528 PolarHBondContact O-N 3.45Å
525I77.3Confident72.2Confident39 Ų3972.1 Ų72.120%0.235%0.35CS..Hα-helixtrans-61.3-44.3175.8-67.5167.2000109.9I521 R522 Q527 Q528 L529 Y552I521-I525 HydrophobicContact CG2-CD1 3.76Å; I521-I525 HydrophobicContact CG2-CG1 4.38Å; I521-I525 WeakPolarHBondContact O-CG1 3.38Å; I521-I525 PolarHBondContact O-N 2.93Å; R522-I525 PolarHBondContact O-N 2.97Å; I525-Q527 VanDerWaalsContact C-N 3.34Å; I525-Q527 PolarHBondContact O-N 3.24Å; I525-Q528 PolarHBondContact O-N 2.88Å; I525-L529 VanDerWaalsContact O-CB 3.31Å; I525-L529 WeakPolarHBondContact O-CB 3.5Å; I525-L529 PolarHBondContact O-N 3.22Å; I525-Y552 HydrophobicContact CB-CE2 4.47Å; I525-Y552 HydrophobicContact CD1-CE2 3.82Å; I525-Y552 HydrophobicContact CG2-CD2 4.23Å; I525-Y552 HydrophobicContact CG2-CE2 3.92Å
526L82.7Confident74.7Confident1 Ų169.3 Ų69.31%0.00534%0.336CS..Hα-helixtrans-66.4-37.9179.1-174.161.2000112R522 Q523 K524 L529 L530 F561 F564R522-L526 VanDerWaalsContact O-CB 3.31Å; R522-L526 WeakPolarHBondContact O-CB 3.47Å; R522-L526 PolarHBondContact O-N 3.22Å; Q523-L526 PolarHBondContact O-N 3.36Å; K524-L526 VanDerWaalsContact C-N 3.3Å; K524-L526 PolarHBondContact O-N 2.98Å; L526-L529 HydrophobicContact CD1-CD2 4.39Å; L526-L529 PolarHBondContact O-N 3.35Å; L526-L530 HydrophobicContact CG-CD1 4.08Å; L526-L530 WeakPolarHBondContact O-CB 3.37Å; L526-L530 WeakPolarHBondContact O-CD1 3.32Å; L526-L530 WeakPolarHBondContact O-CG 3.46Å; L526-L530 PolarHBondContact O-N 2.91Å; L526-F561 HydrophobicContact CD1-CB 4.43Å; L526-F561 HydrophobicContact CD1-CD2 3.46Å; L526-F561 VanDerWaalsContact CD1-CD2 3.46Å; L526-F561 HydrophobicContact CD1-CE2 4.05Å; L526-F561 HydrophobicContact CD1-CG 4.29Å; L526-F564 HydrophobicContact CD2-CB 3.38Å; L526-F564 HydrophobicContact CD2-CD1 3.05Å; L526-F564 HydrophobicContact CD2-CD2 4.1Å; L526-F564 HydrophobicContact CD2-CE1 3.68Å; L526-F564 HydrophobicContact CD2-CG 3.24Å; L526-F564 HydrophobicContact CD2-CZ 4.47Å; L526-F564 HydrophobicContact CG-CD1 4.27Å
527Q80.4Confident76.9Confident96 Ų9665.5 Ų65.545%0.44931%0.313SS..Hα-helixtrans-60.3-51.1174.4-167.5-178.5-800111Q523 K524 I525 L529 L530 E531 L638Q523-Q527 WeakPolarHBondContact O-CB 3.21Å; Q523-Q527 PolarHBondContact O-N 3.41Å; K524-Q527 WeakPolarHBondContact O-CB 3.41Å; K524-Q527 PolarHBondContact O-N 3.19Å; I525-Q527 VanDerWaalsContact C-N 3.34Å; I525-Q527 PolarHBondContact O-N 3.24Å; Q527-L529 VanDerWaalsContact C-N 3.31Å; Q527-L529 PolarHBondContact O-N 2.99Å; Q527-L530 WeakPolarHBondContact O-CB 3.35Å; Q527-L530 PolarHBondContact O-N 2.73Å; Q527-E531 WeakPolarHBondContact O-CB 3.44Å; Q527-E531 PolarHBondContact O-N 3.2Å; Q527-L638 HydrophobicContact CB-CD2 4.28Å; Q527-L638 HydrophobicContact CG-CD2 3.26Å
528Q80.4Confident78.9Confident128 Ų12861.4 Ų61.460%0.59829%0.294SS*.Hα-helixtrans-61.5-39.2176.2-71.8178.5-1.900112.3K524 I525 E531 W532K524-Q528 WeakPolarHBondContact O-CG 3.49Å; K524-Q528 PolarHBondContact O-N 3.45Å; I525-Q528 PolarHBondContact O-N 2.88Å; Q528-E531 WeakPolarHBondContact O-CB 3.11Å; Q528-E531 PolarHBondContact O-N 2.85Å; Q528-W532 WeakPolarHBondContact O-CB 3.42Å; Q528-W532 PolarHBondContact O-N 3.05Å
529L86.4Confident80.5Confident6 Ų661.2 Ų61.23%0.03129%0.289CS..Hα-helixtrans-63.5-44.5175.5174.561.4000111.2I525 L526 Q527 W532 I533 I546 I557I525-L529 VanDerWaalsContact O-CB 3.31Å; I525-L529 WeakPolarHBondContact O-CB 3.5Å; I525-L529 PolarHBondContact O-N 3.22Å; L526-L529 HydrophobicContact CD1-CD2 4.39Å; L526-L529 PolarHBondContact O-N 3.35Å; Q527-L529 VanDerWaalsContact C-N 3.31Å; Q527-L529 PolarHBondContact O-N 2.99Å; L529-W532 HydrophobicContact CD1-CE3 4.27Å; L529-W532 PolarHBondContact O-N 2.86Å; L529-I533 HydrophobicContact CD1-CD1 4Å; L529-I533 HydrophobicContact CD1-CG1 4.16Å; L529-I533 HydrophobicContact CG-CD1 3.88Å; L529-I533 HydrophobicContact CG-CG1 4.47Å; L529-I533 WeakPolarHBondContact O-CB 3.39Å; L529-I533 VanDerWaalsContact O-CG1 3.27Å; L529-I533 WeakPolarHBondContact O-CG1 3.36Å; L529-I533 PolarHBondContact O-N 2.85Å; L529-I546 HydrophobicContact CD1-CB 4.19Å; L529-I546 HydrophobicContact CD1-CG1 4.07Å; L529-I546 HydrophobicContact CD1-CG2 3.63Å; L529-I546 HydrophobicContact CD2-CG2 3.71Å; L529-I546 HydrophobicContact CG-CG2 4.32Å; L529-I557 HydrophobicContact CD2-CD1 3.66Å; L529-I557 HydrophobicContact CD2-CG1 3.75Å
530L86Confident81.7Confident0 Ų061.8 Ų61.80%030%0.299CS..Hα-helixtrans-61.4-47.6176.2-74.2161.3000110.5L526 Q527 W532 I533 E534 F561 M565 Y572 F637 L638L526-L530 HydrophobicContact CG-CD1 4.08Å; L526-L530 WeakPolarHBondContact O-CB 3.37Å; L526-L530 WeakPolarHBondContact O-CD1 3.32Å; L526-L530 WeakPolarHBondContact O-CG 3.46Å; L526-L530 PolarHBondContact O-N 2.91Å; Q527-L530 WeakPolarHBondContact O-CB 3.35Å; Q527-L530 PolarHBondContact O-N 2.73Å; L530-W532 VanDerWaalsContact C-N 3.27Å; L530-W532 PolarHBondContact O-N 3.5Å; L530-I533 PolarHBondContact O-N 2.89Å; L530-E534 VanDerWaalsContact O-CG 3.3Å; L530-E534 WeakPolarHBondContact O-CG 3.19Å; L530-E534 PolarHBondContact O-N 3.27Å; L530-F561 HydrophobicContact CD2-CE2 3.61Å; L530-F561 HydrophobicContact CD2-CZ 3.91Å; L530-F561 HydrophobicContact CG-CE2 4.29Å; L530-M565 HydrophobicContact CD1-SD 4.26Å; L530-M565 HydrophobicContact CD2-CE 4.45Å; L530-Y572 HydrophobicContact CD2-CD1 4.39Å; L530-Y572 HydrophobicContact CD2-CE1 3.65Å; L530-Y572 HydrophobicContact CD2-CE2 4.31Å; L530-F637 HydrophobicContact CD1-CB 3.79Å; L530-F637 HydrophobicContact CD1-CD1 3.65Å; L530-F637 HydrophobicContact CD1-CG 3.92Å; L530-F637 HydrophobicContact CD2-CB 4.35Å; L530-L638 HydrophobicContact CB-CD1 4.45Å; L530-L638 HydrophobicContact CB-CD2 4.26Å; L530-L638 HydrophobicContact CB-CG 4.23Å
531E81.8Confident82.8Confident87 Ų8758.6 Ų58.641%0.40728%0.284SS..Hα-helixtrans-52.2-47.2173.9-113.5146.9-120.900111.5Q527 Q528 E534 C535 L638Q527-E531 WeakPolarHBondContact O-CB 3.44Å; Q527-E531 PolarHBondContact O-N 3.2Å; Q528-E531 WeakPolarHBondContact O-CB 3.11Å; Q528-E531 PolarHBondContact O-N 2.85Å; E531-E534 PolarHBondContact O-N 3.38Å; E531-C535 PolarHBondContact O-N 2.79Å; E531-C535 PolarHBondContact O-SG 3.3Å; E531-L638 HydrophobicContact CB-CD1 4.03Å; E531-L638 HydrophobicContact CG-CD1 3.56Å
532W85.3Confident83.5Confident49 Ų4957 Ų5719%0.18628%0.28CS..Hα-helixtrans-66.7-44.8179.2-178.877.6000112Q528 L529 L530 E534 C535 N536 I541 D545 I546 K549Q528-W532 WeakPolarHBondContact O-CB 3.42Å; Q528-W532 PolarHBondContact O-N 3.05Å; L529-W532 HydrophobicContact CD1-CE3 4.27Å; L529-W532 PolarHBondContact O-N 2.86Å; L530-W532 VanDerWaalsContact C-N 3.27Å; L530-W532 PolarHBondContact O-N 3.5Å; W532-E534 VanDerWaalsContact C-N 3.32Å; W532-E534 PolarHBondContact O-N 3.16Å; W532-C535 PolarHBondContact O-N 2.91Å; W532-N536 VanDerWaalsContact CD1-ND2 3.34Å; W532-N536 HydrophobicContact CH2-CB 4.44Å; W532-N536 HydrophobicContact CZ2-CB 4.07Å; W532-N536 PolarHBondContact NE1-ND2 2.79Å; W532-N536 WeakPolarHBondContact O-CB 3.32Å; W532-N536 PolarHBondContact O-N 2.94Å; W532-N536 PolarHBondContact O-ND2 2.82Å; W532-I541 HydrophobicContact CH2-CG1 4.36Å; W532-I541 HydrophobicContact CH2-CG2 4.17Å; W532-I541 HydrophobicContact CZ3-CG1 4.49Å; W532-I541 HydrophobicContact CZ3-CG2 3.88Å; W532-D545 HydrophobicContact CH2-CB 3.84Å; W532-I546 HydrophobicContact CZ3-CG1 3.85Å; W532-K549 HydrophobicContact CD2-CD 3.37Å; W532-K549 HydrophobicContact CE3-CD 3.82Å; W532-K549 HydrophobicContact CG-CD 3.84Å; W532-K549 HydrophobicContact CH2-CD 4.03Å; W532-K549 HydrophobicContact CZ2-CD 3.64Å; W532-K549 HydrophobicContact CZ3-CD 4.11Å
533I89Confident83.6Confident0 Ų054 Ų540%027%0.273CS..Hα-helixtrans-57.2-47.3175.8-73.1166.5000110.3L529 L530 C535 N536 L537 I541 I546 F561 L569 Y572 I573L529-I533 HydrophobicContact CD1-CD1 4Å; L529-I533 HydrophobicContact CD1-CG1 4.16Å; L529-I533 HydrophobicContact CG-CD1 3.88Å; L529-I533 HydrophobicContact CG-CG1 4.47Å; L529-I533 WeakPolarHBondContact O-CB 3.39Å; L529-I533 VanDerWaalsContact O-CG1 3.27Å; L529-I533 WeakPolarHBondContact O-CG1 3.36Å; L529-I533 PolarHBondContact O-N 2.85Å; L530-I533 PolarHBondContact O-N 2.89Å; I533-C535 VanDerWaalsContact C-N 3.31Å; I533-C535 PolarHBondContact O-N 3.22Å; I533-N536 CarbonylContact O-C 3.59Å; I533-N536 PolarHBondContact O-N 3.26Å; I533-L537 HydrophobicContact CG2-CD2 4Å; I533-L537 WeakPolarHBondContact O-CD2 3.49Å; I533-L537 WeakPolarHBondContact O-CG 3.35Å; I533-L537 PolarHBondContact O-N 2.89Å; I533-L537 VanDerWaalsContact O-N 3.16Å; I533-I541 HydrophobicContact CG2-CD1 4.26Å; I533-I546 HydrophobicContact CD1-CD1 4.19Å; I533-I546 HydrophobicContact CG1-CD1 4.38Å; I533-F561 HydrophobicContact CD1-CE2 4.5Å; I533-L569 HydrophobicContact CD1-CD1 3.77Å; I533-Y572 HydrophobicContact CG2-CE1 4.22Å; I533-I573 HydrophobicContact CD1-CG1 4.47Å; I533-I573 HydrophobicContact CG2-CG1 3.9Å
534E84.8Confident83.6Confident17 Ų1754.2 Ų54.28%0.07927%0.274CS..Hα-helixtrans-61.1-40178.5-65.5-56.6151.600111.7L530 E531 W532 N536 Y572 R576 S636 N670L530-E534 VanDerWaalsContact O-CG 3.3Å; L530-E534 WeakPolarHBondContact O-CG 3.19Å; L530-E534 PolarHBondContact O-N 3.27Å; E531-E534 PolarHBondContact O-N 3.38Å; W532-E534 VanDerWaalsContact C-N 3.32Å; W532-E534 PolarHBondContact O-N 3.16Å; E534-N536 PolarHBondContact O-N 2.88Å; E534-Y572 PolarHBondContact OE1-OH 3.15Å; E534-R576 VanDerWaalsContact CD-NE 3.27Å; E534-R576 WeakPolarHBondContact OE1-CD 3.5Å; E534-R576 WeakPolarHBondContact OE1-CG 3.36Å; E534-R576 IonicContact OE1-CZ 2.74Å; E534-R576 IonicContact OE1-NE 3.74Å; E534-R576 PolarHBondContact OE1-NE 2.83Å; E534-R576 IonicContact OE1-NH2 3.44Å; E534-R576 IonicContact OE2-CZ 3.83Å; E534-R576 VanDerWaalsContact OE2-CZ 3.22Å; E534-R576 IonicContact OE2-NE 2.71Å; E534-R576 PolarHBondContact OE2-NE 2.84Å; E534-R576 IonicContact OE2-NH2 2.8Å; E534-R576 PolarHBondContact OE2-NH2 2.9Å; E534-S636 WeakPolarHBondContact OE1-CB 3.36Å; E534-N670 PolarHBondContact O-ND2 2.88Å
535C83.4Confident83.9Confident75 Ų7550.4 Ų50.451%0.50726%0.26SS..Hα-helixtrans-71.1-14.8176.2-66.50000114E531 W532 I533E531-C535 PolarHBondContact O-N 2.79Å; E531-C535 PolarHBondContact O-SG 3.3Å; W532-C535 PolarHBondContact O-N 2.91Å; I533-C535 VanDerWaalsContact C-N 3.31Å; I533-C535 PolarHBondContact O-N 3.22Å
536N88.4Confident84.2Confident33 Ų3348.6 Ų48.618%0.17625%0.25CS..THydrogen-bonded Turntrans-120.916.5-172.7-70.1-99.1000113.2W532 I533 E534 E538 H539 I541W532-N536 VanDerWaalsContact CD1-ND2 3.34Å; W532-N536 HydrophobicContact CH2-CB 4.44Å; W532-N536 HydrophobicContact CZ2-CB 4.07Å; W532-N536 PolarHBondContact NE1-ND2 2.79Å; W532-N536 WeakPolarHBondContact O-CB 3.32Å; W532-N536 PolarHBondContact O-N 2.94Å; W532-N536 PolarHBondContact O-ND2 2.82Å; I533-N536 CarbonylContact O-C 3.59Å; I533-N536 PolarHBondContact O-N 3.26Å; E534-N536 PolarHBondContact O-N 2.88Å; N536-E538 PolarHBondContact O-N 2.76Å; N536-E538 VanDerWaalsContact O-N 3.16Å; N536-H539 HydrophobicContact CB-CB 4.37Å; N536-H539 PolarHBondContact O-N 3.5Å; N536-H539 VanDerWaalsContact O-O 3.11Å; N536-I541 HydrophobicContact CB-CD1 4.28Å; N536-I541 HydrophobicContact CB-CG1 4.17Å; N536-I541 WeakPolarHBondContact O-CD1 3.01Å; N536-I541 WeakPolarHBondContact O-CG1 3.45Å
537L89.5Confident83.9Confident2 Ų249.1 Ų49.11%0.0126%0.255CS..THydrogen-bonded Turntrans-58.4-30.4-178.3-66.9177.9000113.7I533 H539 I541 R576 R577 R580I533-L537 HydrophobicContact CG2-CD2 4Å; I533-L537 WeakPolarHBondContact O-CD2 3.49Å; I533-L537 WeakPolarHBondContact O-CG 3.35Å; I533-L537 PolarHBondContact O-N 2.89Å; I533-L537 VanDerWaalsContact O-N 3.16Å; L537-H539 VanDerWaalsContact C-N 3.32Å; L537-I541 HydrophobicContact CD2-CD1 4.5Å; L537-R576 HydrophobicContact CD1-CB 4.03Å; L537-R576 HydrophobicContact CD2-CB 3.84Å; L537-R577 HydrophobicContact CB-CG 4.33Å; L537-R577 HydrophobicContact CD2-CG 4.25Å; L537-R577 PolarHBondContact O-NE 2.74Å; L537-R580 HydrophobicContact CD1-CB 4.38Å
538E88.6Confident83.7Confident65 Ų6552.1 Ų52.130%0.30427%0.269SS..THydrogen-bonded Turntrans-929.3178-63.6178.6-152.500113.1N536 R580 S598 L599 H600N536-E538 PolarHBondContact O-N 2.76Å; N536-E538 VanDerWaalsContact O-N 3.16Å; E538-R580 IonicContact OE1-CZ 3.79Å; E538-R580 VanDerWaalsContact OE1-CZ 3.25Å; E538-R580 IonicContact OE1-NE 3.48Å; E538-R580 PolarHBondContact OE1-NE 2.71Å; E538-R580 IonicContact OE1-NH2 3.39Å; E538-R580 PolarHBondContact OE1-NH2 2.68Å; E538-S598 CarbonylContact C-O 3.59Å; E538-S598 VanDerWaalsContact CA-O 3.23Å; E538-S598 WeakPolarHBondContact CA-O 3.39Å; E538-L599 HydrophobicContact CG-CD2 3.67Å; E538-H600 PolarHBondContact O-NE2 2.95Å
539H87.9Confident83.6Confident105 Ų10551.9 Ų51.949%0.48627%0.266SS..SBendtrans-117.4159.2172.8-62.3-37.9000110.2N536 L537 I541 R577 H600N536-H539 HydrophobicContact CB-CB 4.37Å; N536-H539 PolarHBondContact O-N 3.5Å; N536-H539 VanDerWaalsContact O-O 3.11Å; L537-H539 VanDerWaalsContact C-N 3.32Å; H539-I541 PolarHBondContact O-N 2.84Å; H539-I541 VanDerWaalsContact O-N 3.17Å; H539-R577 PolarHBondContact O-NH2 2.97Å; H539-H600 VanDerWaalsContact CA-NE2 3.32Å; H539-H600 WeakPolarHBondContact CA-NE2 3.49Å; H539-H600 PolarHBondContact O-CD2 2.86Å; H539-H600 VanDerWaalsContact O-CD2 3.25Å
540P85.3Confident83.2Confident91 Ų9152.2 Ų52.259%0.59127%0.269SS*.  trans-59.8122.8170.7-20.431.9000108.6H600P540-H600 VanDerWaalsContact CD-NE2 3.28Å; P540-H600 WeakPolarHBondContact CD-NE2 3.36Å
541I87.6Confident82.7Confident27 Ų2755.7 Ų55.714%0.13830%0.304CS..  trans-112.2103.1173.3-61.2169.2000106.4W532 I533 N536 L537 H539 I546 I573W532-I541 HydrophobicContact CH2-CG1 4.36Å; W532-I541 HydrophobicContact CH2-CG2 4.17Å; W532-I541 HydrophobicContact CZ3-CG1 4.49Å; W532-I541 HydrophobicContact CZ3-CG2 3.88Å; I533-I541 HydrophobicContact CG2-CD1 4.26Å; N536-I541 HydrophobicContact CB-CD1 4.28Å; N536-I541 HydrophobicContact CB-CG1 4.17Å; N536-I541 WeakPolarHBondContact O-CD1 3.01Å; N536-I541 WeakPolarHBondContact O-CG1 3.45Å; L537-I541 HydrophobicContact CD2-CD1 4.5Å; H539-I541 PolarHBondContact O-N 2.84Å; H539-I541 VanDerWaalsContact O-N 3.17Å; I541-I546 HydrophobicContact CG2-CD1 3.57Å; I541-I546 HydrophobicContact CG2-CG1 3.87Å; I541-I573 HydrophobicContact CD1-CG2 4.2Å; I541-I573 HydrophobicContact CG2-CD1 3.98Å
542S84.4Confident82.2Confident49 Ų4954.1 Ų54.134%0.34330%0.295SS..  trans-89.1157.9170.878.90000110.7E544 D545 I546S542-E544 PolarHBondContact O-N 3.38Å; S542-E544 PolarHBondContact OG-N 3.4Å; S542-D545 VanDerWaalsContact CB-OD2 3.28Å; S542-D545 WeakPolarHBondContact CB-OD2 3.33Å; S542-D545 PolarHBondContact N-OD2 3.49Å; S542-D545 PolarHBondContact O-N 3.08Å; S542-D545 PolarHBondContact OG-N 2.91Å; S542-D545 PolarHBondContact OG-OD2 3.26Å; S542-I546 PolarHBondContact O-N 2.71Å
543I77.8Confident81.5Confident60 Ų6054.7 Ų54.731%0.30831%0.307SS..Hα-helixtrans-65.1-21.3171.4-162.9161.7000112.3A547 R554 Q558I543-A547 VanDerWaalsContact O-CB 3.27Å; I543-A547 WeakPolarHBondContact O-CB 3.23Å; I543-A547 PolarHBondContact O-N 3.33Å; I543-R554 HydrophobicContact CD1-CB 4.44Å; I543-R554 HydrophobicContact CG1-CB 4.46Å; I543-R554 HydrophobicContact CG2-CG 4.39Å; I543-Q558 VanDerWaalsContact CD1-CD 3.42Å; I543-Q558 HydrophobicContact CD1-CG 3.69Å
544E74.2Confident80.5Confident74 Ų7460.1 Ų60.135%0.34633%0.327SS..Hα-helixtrans-72.3-44176.9-167.6148.7-168.800110.8R367 S542 I546 A547 Q548 R554R367-E544 IonicContact CZ-OE1 2.75Å; R367-E544 IonicContact NH1-OE1 3.19Å; R367-E544 PolarHBondContact NH1-OE1 3.42Å; R367-E544 IonicContact NH1-OE2 2.7Å; R367-E544 IonicContact NH2-OE1 3.66Å; R367-E544 PolarHBondContact NH2-OE1 3.25Å; S542-E544 PolarHBondContact O-N 3.38Å; S542-E544 PolarHBondContact OG-N 3.4Å; E544-I546 VanDerWaalsContact C-N 3.28Å; E544-I546 PolarHBondContact O-N 3.05Å; E544-A547 PolarHBondContact O-N 3.24Å; E544-Q548 WeakPolarHBondContact O-CB 3.35Å; E544-Q548 PolarHBondContact O-N 3.19Å; E544-R554 IonicContact OE1-NH2 3.83Å; E544-R554 IonicContact OE2-CZ 3.61Å; E544-R554 IonicContact OE2-NH2 2.65Å; E544-R554 PolarHBondContact OE2-NH2 3.06Å
545D81.5Confident79.6Confident54 Ų5464.7 Ų64.729%0.28934%0.344SS..Hα-helixtrans-58.6-43173.8-55.1-47.5000111.1W532 S542 K549W532-D545 HydrophobicContact CH2-CB 3.84Å; S542-D545 VanDerWaalsContact CB-OD2 3.28Å; S542-D545 WeakPolarHBondContact CB-OD2 3.33Å; S542-D545 PolarHBondContact N-OD2 3.49Å; S542-D545 PolarHBondContact O-N 3.08Å; S542-D545 PolarHBondContact OG-N 2.91Å; S542-D545 PolarHBondContact OG-OD2 3.26Å; D545-K549 WeakPolarHBondContact O-CB 3.19Å; D545-K549 VanDerWaalsContact O-CG 3.31Å; D545-K549 WeakPolarHBondContact O-CG 3.44Å; D545-K549 PolarHBondContact O-N 3.05Å
546I83.4Confident79Confident1 Ų165 Ų651%0.00534%0.34CS..Hα-helixtrans-66.1-45.6178.2-68.5177.7000111.4L529 W532 I533 I541 S542 E544 K549 S550 I557 L569 I573L529-I546 HydrophobicContact CD1-CB 4.19Å; L529-I546 HydrophobicContact CD1-CG1 4.07Å; L529-I546 HydrophobicContact CD1-CG2 3.63Å; L529-I546 HydrophobicContact CD2-CG2 3.71Å; L529-I546 HydrophobicContact CG-CG2 4.32Å; W532-I546 HydrophobicContact CZ3-CG1 3.85Å; I533-I546 HydrophobicContact CD1-CD1 4.19Å; I533-I546 HydrophobicContact CG1-CD1 4.38Å; I541-I546 HydrophobicContact CG2-CD1 3.57Å; I541-I546 HydrophobicContact CG2-CG1 3.87Å; S542-I546 PolarHBondContact O-N 2.71Å; E544-I546 VanDerWaalsContact C-N 3.28Å; E544-I546 PolarHBondContact O-N 3.05Å; I546-K549 PolarHBondContact O-N 3.16Å; I546-S550 VanDerWaalsContact O-CB 3.23Å; I546-S550 WeakPolarHBondContact O-CB 3.27Å; I546-S550 PolarHBondContact O-N 3.44Å; I546-S550 PolarHBondContact O-OG 3.27Å; I546-I557 HydrophobicContact CG2-CG1 3.71Å; I546-I557 HydrophobicContact CG2-CG2 4.12Å; I546-L569 HydrophobicContact CD1-CD1 4.14Å; I546-L569 HydrophobicContact CD1-CD2 3.75Å; I546-L569 HydrophobicContact CD1-CG 4.18Å; I546-L569 HydrophobicContact CG2-CD2 4.01Å; I546-I573 HydrophobicContact CD1-CD1 3.85Å
547A75Confident78.7Confident13 Ų1363.4 Ų63.411%0.10733%0.332CS..Hα-helixtrans-61.6-46.4177.800000111I543 E544 K549 S550 G551 Y552 R554I543-A547 VanDerWaalsContact O-CB 3.27Å; I543-A547 WeakPolarHBondContact O-CB 3.23Å; I543-A547 PolarHBondContact O-N 3.33Å; E544-A547 PolarHBondContact O-N 3.24Å; A547-K549 PolarHBondContact O-N 3.19Å; A547-S550 PolarHBondContact O-N 3.35Å; A547-S550 PolarHBondContact O-OG 3.3Å; A547-G551 PolarHBondContact O-N 2.97Å; A547-Y552 CarbonylContact C-O 3.54Å; A547-Y552 WeakPolarHBondContact CA-O 3.36Å; A547-Y552 VanDerWaalsContact CB-O 3.31Å; A547-Y552 WeakPolarHBondContact CB-O 3.49Å; A547-Y552 PolarHBondContact O-N 3.14Å; A547-R554 HydrophobicContact CB-CG 4.16Å
548Q76.3Confident78.2Confident158 Ų15866.4 Ų66.474%0.73835%0.346SS*.Hα-helixtrans-62-44.6178.3-171.5-179.97.700112E544E544-Q548 WeakPolarHBondContact O-CB 3.35Å; E544-Q548 PolarHBondContact O-N 3.19Å
549K78.3Confident77.7Confident124 Ų12466.6 Ų66.654%0.53935%0.349SS..Hα-helixtrans-69.4-37.5179.2-77.7173.2-178.9-81.70113.6W532 D545 I546 A547W532-K549 HydrophobicContact CD2-CD 3.37Å; W532-K549 HydrophobicContact CE3-CD 3.82Å; W532-K549 HydrophobicContact CG-CD 3.84Å; W532-K549 HydrophobicContact CH2-CD 4.03Å; W532-K549 HydrophobicContact CZ2-CD 3.64Å; W532-K549 HydrophobicContact CZ3-CD 4.11Å; D545-K549 WeakPolarHBondContact O-CB 3.19Å; D545-K549 VanDerWaalsContact O-CG 3.31Å; D545-K549 WeakPolarHBondContact O-CG 3.44Å; D545-K549 PolarHBondContact O-N 3.05Å; I546-K549 PolarHBondContact O-N 3.16Å; A547-K549 PolarHBondContact O-N 3.19Å
550S78.2Confident77.3Confident13 Ų1362.9 Ų62.99%0.09133%0.332CS..Hα-helixtrans-81.6-17-178.965.60000113.4I546 A547 Y552I546-S550 VanDerWaalsContact O-CB 3.23Å; I546-S550 WeakPolarHBondContact O-CB 3.27Å; I546-S550 PolarHBondContact O-N 3.44Å; I546-S550 PolarHBondContact O-OG 3.27Å; A547-S550 PolarHBondContact O-N 3.35Å; A547-S550 PolarHBondContact O-OG 3.3Å; S550-Y552 WeakPolarHBondContact O-CD2 3.4Å; S550-Y552 PolarHBondContact O-N 2.94Å; S550-Y552 PolarHBondContact OG-N 2.75Å
551G75.2Confident77.3Confident72 Ų7258.5 Ų58.574%0.74230%0.304SS*.THydrogen-bonded Turntrans71.13.4-171.800000114A547A547-G551 PolarHBondContact O-N 2.97Å
552Y73.2Confident77.1Confident55 Ų5564.6 Ų64.622%0.21633%0.325CS..SBendtrans-94151.8177.4-76.7-82.6000111.3R522 I525 A547 S550 N556 I557 L560R522-Y552 WeakPolarHBondContact CG-OH 3.34Å; I525-Y552 HydrophobicContact CB-CE2 4.47Å; I525-Y552 HydrophobicContact CD1-CE2 3.82Å; I525-Y552 HydrophobicContact CG2-CD2 4.23Å; I525-Y552 HydrophobicContact CG2-CE2 3.92Å; A547-Y552 CarbonylContact C-O 3.54Å; A547-Y552 WeakPolarHBondContact CA-O 3.36Å; A547-Y552 VanDerWaalsContact CB-O 3.31Å; A547-Y552 WeakPolarHBondContact CB-O 3.49Å; A547-Y552 PolarHBondContact O-N 3.14Å; S550-Y552 WeakPolarHBondContact O-CD2 3.4Å; S550-Y552 PolarHBondContact O-N 2.94Å; S550-Y552 PolarHBondContact OG-N 2.75Å; Y552-N556 HydrophobicContact CD1-CB 3.8Å; Y552-N556 HydrophobicContact CG-CB 4.47Å; Y552-I557 HydrophobicContact CD2-CD1 3.99Å; Y552-I557 HydrophobicContact CG-CD1 4.37Å; Y552-L560 HydrophobicContact CD2-CD2 4.18Å; Y552-L560 HydrophobicContact CE1-CD2 4.41Å; Y552-L560 HydrophobicContact CE2-CD2 3.68Å
553S68.9Low76.8Confident61 Ų6167.7 Ų67.743%0.42734%0.338SS..  trans-61.1155.6167.273.80000111.1R555 N556 I557S553-R555 PolarHBondContact O-N 3.36Å; S553-N556 PolarHBondContact O-N 3.09Å; S553-N556 WeakPolarHBondContact OG-CB 3.44Å; S553-N556 PolarHBondContact OG-N 3.5Å; S553-I557 PolarHBondContact O-N 2.95Å
554R69.1Low76.9Confident113 Ų11367.7 Ų67.743%0.42634%0.336SS..Hα-helixtrans-49.7-34.8177.7-65.1179.9-178.8175.6-2.1113.2I543 E544 A547 Q558I543-R554 HydrophobicContact CD1-CB 4.44Å; I543-R554 HydrophobicContact CG1-CB 4.46Å; I543-R554 HydrophobicContact CG2-CG 4.39Å; E544-R554 IonicContact OE1-NH2 3.83Å; E544-R554 IonicContact OE2-CZ 3.61Å; E544-R554 IonicContact OE2-NH2 2.65Å; E544-R554 PolarHBondContact OE2-NH2 3.06Å; A547-R554 HydrophobicContact CB-CG 4.16Å; R554-Q558 VanDerWaalsContact O-CG 3.3Å; R554-Q558 WeakPolarHBondContact O-CG 3.46Å; R554-Q558 PolarHBondContact O-NE2 3.3Å
555R65.2Low77.2Confident113 Ų11365.2 Ų65.243%0.42632%0.324SS..Hα-helixtrans-77.8-49.7177-177.9-175.2179.51792.8111.7G499 S553 I557 Q558 L559G499-R555 PolarHBondContact O-NH1 3.09Å; S553-R555 PolarHBondContact O-N 3.36Å; R555-I557 VanDerWaalsContact C-N 3.25Å; R555-I557 PolarHBondContact O-N 3.5Å; R555-Q558 PolarHBondContact O-N 3.05Å; R555-Q558 VanDerWaalsContact O-N 3.12Å; R555-L559 HydrophobicContact CG-CD1 3.89Å; R555-L559 HydrophobicContact CG-CG 4.24Å; R555-L559 PolarHBondContact O-N 3.21Å
556N71.6Confident77.2Confident81 Ų8170.2 Ų70.243%0.43335%0.345SS..Hα-helixtrans-63.7-35.7-174.6-74.5-10.5000111.2Y552 S553 L559 L560Y552-N556 HydrophobicContact CD1-CB 3.8Å; Y552-N556 HydrophobicContact CG-CB 4.47Å; S553-N556 PolarHBondContact O-N 3.09Å; S553-N556 WeakPolarHBondContact OG-CB 3.44Å; S553-N556 PolarHBondContact OG-N 3.5Å; N556-L559 PolarHBondContact O-N 2.71Å; N556-L560 WeakPolarHBondContact O-CB 3.39Å; N556-L560 PolarHBondContact O-N 2.78Å
557I80.7Confident77.2Confident0 Ų071.3 Ų71.30%035%0.352CS..Hα-helixtrans-68.6-37.8175.6-161.152.5000112.3L529 I546 Y552 S553 R555 L560 F561L529-I557 HydrophobicContact CD2-CD1 3.66Å; L529-I557 HydrophobicContact CD2-CG1 3.75Å; I546-I557 HydrophobicContact CG2-CG1 3.71Å; I546-I557 HydrophobicContact CG2-CG2 4.12Å; Y552-I557 HydrophobicContact CD2-CD1 3.99Å; Y552-I557 HydrophobicContact CG-CD1 4.37Å; S553-I557 PolarHBondContact O-N 2.95Å; R555-I557 VanDerWaalsContact C-N 3.25Å; R555-I557 PolarHBondContact O-N 3.5Å; I557-L560 HydrophobicContact CD1-CD2 4.17Å; I557-F561 WeakPolarHBondContact O-CB 3.1Å; I557-F561 PolarHBondContact O-N 3.05Å
558Q80.4Confident77.7Confident66 Ų6673.4 Ų73.431%0.30837%0.365SS..Hα-helixtrans-66-42.6174.8-76.2179.280.300112.4I543 R554 R555 R562 L569I543-Q558 VanDerWaalsContact CD1-CD 3.42Å; I543-Q558 HydrophobicContact CD1-CG 3.69Å; R554-Q558 VanDerWaalsContact O-CG 3.3Å; R554-Q558 WeakPolarHBondContact O-CG 3.46Å; R554-Q558 PolarHBondContact O-NE2 3.3Å; R555-Q558 PolarHBondContact O-N 3.05Å; R555-Q558 VanDerWaalsContact O-N 3.12Å; Q558-R562 WeakPolarHBondContact O-CB 3.47Å; Q558-R562 PolarHBondContact O-N 2.97Å; Q558-L569 HydrophobicContact CG-CD2 4.49Å
559L77.8Confident78.2Confident69 Ų6966.3 Ų66.336%0.36133%0.332SS..Hα-helixtrans-66.6-46.7176.8-72.4176.6000110.9R555 N556 F561 R562 N563R555-L559 HydrophobicContact CG-CD1 3.89Å; R555-L559 HydrophobicContact CG-CG 4.24Å; R555-L559 PolarHBondContact O-N 3.21Å; N556-L559 PolarHBondContact O-N 2.71Å; L559-F561 VanDerWaalsContact C-N 3.31Å; L559-F561 PolarHBondContact O-N 2.99Å; L559-R562 PolarHBondContact O-N 2.71Å; L559-N563 WeakPolarHBondContact O-CB 3.36Å; L559-N563 PolarHBondContact O-N 2.95Å; L559-N563 PolarHBondContact O-ND2 3.45Å; L559-N563 PolarHBondContact O-OD1 3.24Å
560L80.3Confident78.6Confident26 Ų2662.3 Ų62.314%0.13633%0.325CS..Hα-helixtrans-57-48.4176.2179.763.8000110.6R522 Y552 N556 I557 N563 F564R522-L560 HydrophobicContact CB-CD1 4.09Å; R522-L560 HydrophobicContact CG-CD1 4.13Å; Y552-L560 HydrophobicContact CD2-CD2 4.18Å; Y552-L560 HydrophobicContact CE1-CD2 4.41Å; Y552-L560 HydrophobicContact CE2-CD2 3.68Å; N556-L560 WeakPolarHBondContact O-CB 3.39Å; N556-L560 PolarHBondContact O-N 2.78Å; I557-L560 HydrophobicContact CD1-CD2 4.17Å; L560-N563 PolarHBondContact O-N 2.82Å; L560-F564 WeakPolarHBondContact O-CB 3.42Å; L560-F564 PolarHBondContact O-N 2.87Å; L560-F564 VanDerWaalsContact O-N 3.11Å
561F84Confident79Confident0 Ų065.4 Ų65.40%034%0.339CS..Hα-helixtrans-62.6-49.7178.1-165.9-81.2000111.3L526 L530 I533 I557 L559 N563 F564 M565 V567 L569 Y572L526-F561 HydrophobicContact CD1-CB 4.43Å; L526-F561 HydrophobicContact CD1-CD2 3.46Å; L526-F561 VanDerWaalsContact CD1-CD2 3.46Å; L526-F561 HydrophobicContact CD1-CE2 4.05Å; L526-F561 HydrophobicContact CD1-CG 4.29Å; L530-F561 HydrophobicContact CD2-CE2 3.61Å; L530-F561 HydrophobicContact CD2-CZ 3.91Å; L530-F561 HydrophobicContact CG-CE2 4.29Å; I533-F561 HydrophobicContact CD1-CE2 4.5Å; I557-F561 WeakPolarHBondContact O-CB 3.1Å; I557-F561 PolarHBondContact O-N 3.05Å; L559-F561 VanDerWaalsContact C-N 3.31Å; L559-F561 PolarHBondContact O-N 2.99Å; F561-N563 VanDerWaalsContact C-N 3.34Å; F561-N563 PolarHBondContact O-N 3.17Å; F561-F564 PolarHBondContact O-N 2.84Å; F561-M565 HydrophobicContact CD1-CB 3.86Å; F561-M565 HydrophobicContact CD1-CG 3.84Å; F561-M565 HydrophobicContact CD2-CG 4.25Å; F561-M565 HydrophobicContact CE1-CB 3.63Å; F561-M565 HydrophobicContact CE1-CG 3.55Å; F561-M565 HydrophobicContact CE2-CG 3.99Å; F561-M565 HydrophobicContact CG-CG 4.18Å; F561-M565 HydrophobicContact CZ-CB 4.2Å; F561-M565 HydrophobicContact CZ-CG 3.62Å; F561-M565 WeakPolarHBondContact O-CA 3.46Å; F561-M565 WeakPolarHBondContact O-CB 3.31Å; F561-M565 WeakPolarHBondContact O-CG 3.35Å; F561-M565 PolarHBondContact O-N 3.41Å; F561-V567 HydrophobicContact CE1-CG2 4.32Å; F561-L569 HydrophobicContact CB-CB 4.39Å; F561-L569 HydrophobicContact CD1-CB 3.89Å; F561-L569 HydrophobicContact CD1-CD1 4.12Å; F561-L569 HydrophobicContact CD2-CD1 3.55Å; F561-L569 HydrophobicContact CE1-CB 4.34Å; F561-L569 HydrophobicContact CE1-CD1 4.12Å; F561-L569 HydrophobicContact CE2-CD1 3.56Å; F561-L569 HydrophobicContact CG-CB 4.05Å; F561-L569 HydrophobicContact CG-CD1 3.85Å; F561-L569 HydrophobicContact CG-CG 4.49Å; F561-L569 HydrophobicContact CZ-CD1 3.86Å; F561-Y572 HydrophobicContact CE1-CD1 4.43Å; F561-Y572 HydrophobicContact CE1-CD2 4.46Å; F561-Y572 AromaticContact CE1-CG 3.96Å; F561-Y572 HydrophobicContact CE1-CG 3.96Å; F561-Y572 HydrophobicContact CE2-CD1 4.44Å; F561-Y572 AromaticContact CZ-CD1 3.62Å; F561-Y572 HydrophobicContact CZ-CD1 3.62Å; F561-Y572 HydrophobicContact CZ-CD2 4.08Å; F561-Y572 HydrophobicContact CZ-CE1 4.26Å; F561-Y572 AromaticContact CZ-CG 3.53Å; F561-Y572 HydrophobicContact CZ-CG 3.53Å
562R83.2Confident79.7Confident155 Ų15562 Ų6259%0.58530%0.304SS*.Hα-helixtrans-62.6-39.8-179.8-176.6179.5178.4-175.9-1.2112.1Q558 L559 F564 H566Q558-R562 WeakPolarHBondContact O-CB 3.47Å; Q558-R562 PolarHBondContact O-N 2.97Å; L559-R562 PolarHBondContact O-N 2.71Å; R562-F564 VanDerWaalsContact C-N 3.3Å; R562-F564 PolarHBondContact O-N 2.8Å; R562-H566 WeakPolarHBondContact O-CA 3.38Å; R562-H566 PolarHBondContact O-N 2.88Å
563N79.1Confident80.5Confident114 Ų11460.2 Ų60.261%0.6130%0.297SS*.Hα-helixtrans-66.3-35.9179.4-70.8-4.7000111.6L559 L560 F561 H566L559-N563 WeakPolarHBondContact O-CB 3.36Å; L559-N563 PolarHBondContact O-N 2.95Å; L559-N563 PolarHBondContact O-ND2 3.45Å; L559-N563 PolarHBondContact O-OD1 3.24Å; L560-N563 PolarHBondContact O-N 2.82Å; F561-N563 VanDerWaalsContact C-N 3.34Å; F561-N563 PolarHBondContact O-N 3.17Å; N563-H566 PolarHBondContact O-CE1 3.45Å
564F79.3Confident81.6Confident60 Ų6061.9 Ų61.926%0.26329%0.294SS..Hα-helixtrans-89-37.7-176.9-165.5-94.3000113.6Q523 L526 L560 F561 R562 F637Q523-F564 HydrophobicContact CG-CE2 3.59Å; Q523-F564 HydrophobicContact CG-CZ 3.88Å; L526-F564 HydrophobicContact CD2-CB 3.38Å; L526-F564 HydrophobicContact CD2-CD1 3.05Å; L526-F564 HydrophobicContact CD2-CD2 4.1Å; L526-F564 HydrophobicContact CD2-CE1 3.68Å; L526-F564 HydrophobicContact CD2-CG 3.24Å; L526-F564 HydrophobicContact CD2-CZ 4.47Å; L526-F564 HydrophobicContact CG-CD1 4.27Å; L560-F564 WeakPolarHBondContact O-CB 3.42Å; L560-F564 PolarHBondContact O-N 2.87Å; L560-F564 VanDerWaalsContact O-N 3.11Å; F561-F564 PolarHBondContact O-N 2.84Å; R562-F564 VanDerWaalsContact C-N 3.3Å; R562-F564 PolarHBondContact O-N 2.8Å; F564-F637 HydrophobicContact CD1-CE1 4.43Å; F564-F637 HydrophobicContact CD1-CE2 4.37Å; F564-F637 HydrophobicContact CD1-CZ 4.04Å; F564-F637 HydrophobicContact CE1-CD1 4.33Å; F564-F637 AromaticContact CE1-CE1 3.45Å; F564-F637 HydrophobicContact CE1-CE1 3.45Å; F564-F637 VanDerWaalsContact CE1-CE1 3.45Å; F564-F637 AromaticContact CE1-CE2 3.95Å; F564-F637 HydrophobicContact CE1-CE2 3.95Å; F564-F637 AromaticContact CE1-CZ 3.21Å; F564-F637 HydrophobicContact CE1-CZ 3.21Å; F564-F637 HydrophobicContact CZ-CE1 4.15Å; F564-F637 AromaticContact CZ-CZ 3.87Å; F564-F637 HydrophobicContact CZ-CZ 3.87Å
565M80.2Confident82.6Confident21 Ų2159.2 Ų59.210%0.10329%0.286CS..Hα-helixtrans-95.5-13.3-175.7-65.7-60.7-62.600113.2L530 F561 V567 Y572 F637L530-M565 HydrophobicContact CD1-SD 4.26Å; L530-M565 HydrophobicContact CD2-CE 4.45Å; F561-M565 HydrophobicContact CD1-CB 3.86Å; F561-M565 HydrophobicContact CD1-CG 3.84Å; F561-M565 HydrophobicContact CD2-CG 4.25Å; F561-M565 HydrophobicContact CE1-CB 3.63Å; F561-M565 HydrophobicContact CE1-CG 3.55Å; F561-M565 HydrophobicContact CE2-CG 3.99Å; F561-M565 HydrophobicContact CG-CG 4.18Å; F561-M565 HydrophobicContact CZ-CB 4.2Å; F561-M565 HydrophobicContact CZ-CG 3.62Å; F561-M565 WeakPolarHBondContact O-CA 3.46Å; F561-M565 WeakPolarHBondContact O-CB 3.31Å; F561-M565 WeakPolarHBondContact O-CG 3.35Å; F561-M565 PolarHBondContact O-N 3.41Å; M565-V567 HydrophobicContact CB-CG2 3.96Å; M565-V567 PolarHBondContact O-N 2.87Å; M565-Y572 HydrophobicContact CE-CD2 3.92Å; M565-Y572 HydrophobicContact CE-CE2 3.68Å; M565-F637 HydrophobicContact CE-CB 3.63Å; M565-F637 HydrophobicContact CE-CD2 3.57Å; M565-F637 HydrophobicContact CE-CG 3.84Å; M565-F637 HydrophobicContact SD-CB 3.96Å; M565-F637 HydrophobicContact SD-CD1 4.34Å; M565-F637 HydrophobicContact SD-CD2 3.3Å; M565-F637 WeakPolarHBondContact SD-CD2 3.39Å; M565-F637 HydrophobicContact SD-CE2 3.84Å; M565-F637 HydrophobicContact SD-CG 3.58Å; M565-F637 VanDerWaalsContact SD-CG 3.58Å
566H81.8Confident83.8Confident159 Ų15954.6 Ų54.674%0.73627%0.268SS*.SBendtrans55.815.4-173.6-54.4-69.4000114.7R562 N563R562-H566 WeakPolarHBondContact O-CA 3.38Å; R562-H566 PolarHBondContact O-N 2.88Å; N563-H566 PolarHBondContact O-CE1 3.45Å
567V83Confident84.8Confident25 Ų2552.2 Ų52.215%0.15225%0.253CS..SBendtrans-133.7147174.3-65.90000110F561 M565 Y572F561-V567 HydrophobicContact CE1-CG2 4.32Å; M565-V567 HydrophobicContact CB-CG2 3.96Å; M565-V567 PolarHBondContact O-N 2.87Å; V567-Y572 HydrophobicContact CG2-CD2 4.39Å
568P85.8Confident85.4Confident57 Ų5752.4 Ų52.437%0.3725%0.254SS..  trans-58.6140.5171.2-22.133000111.8G570 E571 Y572P568-G570 VanDerWaalsContact C-N 3.31Å; P568-G570 PolarHBondContact O-N 3.32Å; P568-E571 HydrophobicContact CB-CB 4.16Å; P568-E571 WeakPolarHBondContact CD-OE2 3.43Å; P568-E571 HydrophobicContact CG-CB 4.4Å; P568-E571 WeakPolarHBondContact O-CB 3.39Å; P568-E571 PolarHBondContact O-N 3.01Å; P568-Y572 PolarHBondContact O-N 2.98Å
569L86.9Confident85.9Confident9 Ų949.4 Ų49.45%0.04724%0.24CC..Hα-helixtrans-52.9-45.6179.6175.362.2000113I533 I546 Q558 F561 E571 Y572 I573I533-L569 HydrophobicContact CD1-CD1 3.77Å; I546-L569 HydrophobicContact CD1-CD1 4.14Å; I546-L569 HydrophobicContact CD1-CD2 3.75Å; I546-L569 HydrophobicContact CD1-CG 4.18Å; I546-L569 HydrophobicContact CG2-CD2 4.01Å; Q558-L569 HydrophobicContact CG-CD2 4.49Å; F561-L569 HydrophobicContact CB-CB 4.39Å; F561-L569 HydrophobicContact CD1-CB 3.89Å; F561-L569 HydrophobicContact CD1-CD1 4.12Å; F561-L569 HydrophobicContact CD2-CD1 3.55Å; F561-L569 HydrophobicContact CE1-CB 4.34Å; F561-L569 HydrophobicContact CE1-CD1 4.12Å; F561-L569 HydrophobicContact CE2-CD1 3.56Å; F561-L569 HydrophobicContact CG-CB 4.05Å; F561-L569 HydrophobicContact CG-CD1 3.85Å; F561-L569 HydrophobicContact CG-CG 4.49Å; F561-L569 HydrophobicContact CZ-CD1 3.86Å; L569-E571 VanDerWaalsContact C-N 3.33Å; L569-E571 PolarHBondContact O-N 3.42Å; L569-Y572 WeakPolarHBondContact O-CB 3.43Å; L569-Y572 PolarHBondContact O-N 3.05Å; L569-I573 HydrophobicContact CD1-CD1 4.11Å; L569-I573 HydrophobicContact CD1-CG1 4.46Å; L569-I573 HydrophobicContact CG-CD1 4.14Å; L569-I573 WeakPolarHBondContact O-CG1 3.39Å; L569-I573 PolarHBondContact O-N 2.87Å
570G86.7Confident86.5Confident39 Ų3946.7 Ų46.740%0.40223%0.225SC..Hα-helixtrans-65.1-3517800000113.3P568 R574P568-G570 VanDerWaalsContact C-N 3.31Å; P568-G570 PolarHBondContact O-N 3.32Å; G570-R574 WeakPolarHBondContact O-CB 3.49Å; G570-R574 PolarHBondContact O-N 2.97Å
571E87.8Confident87.2Confident79 Ų7945.4 Ų45.437%0.36922%0.219SC..Hα-helixtrans-68.5-40.9175.4-171.4-176.1151.300111.1P568 L569 R574 K575P568-E571 HydrophobicContact CB-CB 4.16Å; P568-E571 WeakPolarHBondContact CD-OE2 3.43Å; P568-E571 HydrophobicContact CG-CB 4.4Å; P568-E571 WeakPolarHBondContact O-CB 3.39Å; P568-E571 PolarHBondContact O-N 3.01Å; L569-E571 VanDerWaalsContact C-N 3.33Å; L569-E571 PolarHBondContact O-N 3.42Å; E571-R574 PolarHBondContact O-N 2.95Å; E571-K575 HydrophobicContact CG-CD 4.39Å; E571-K575 WeakPolarHBondContact O-CB 3.34Å; E571-K575 WeakPolarHBondContact O-CG 3.39Å; E571-K575 PolarHBondContact O-N 2.87Å; E571-K575 WeakPolarHBondContact OE1-CE 3.45Å; E571-K575 IonicContact OE1-NZ 3.64Å; E571-K575 PolarHBondContact OE1-NZ 3.36Å
572Y88.6Confident87.6Confident1 Ų145.4 Ų45.40%0.00422%0.219CC..Hα-helixtrans-58.3-52.7174.2178.1-93.5000111.5L530 I533 E534 F561 M565 V567 P568 L569 R574 K575 R576 F634L530-Y572 HydrophobicContact CD2-CD1 4.39Å; L530-Y572 HydrophobicContact CD2-CE1 3.65Å; L530-Y572 HydrophobicContact CD2-CE2 4.31Å; I533-Y572 HydrophobicContact CG2-CE1 4.22Å; E534-Y572 PolarHBondContact OE1-OH 3.15Å; F561-Y572 HydrophobicContact CE1-CD1 4.43Å; F561-Y572 HydrophobicContact CE1-CD2 4.46Å; F561-Y572 AromaticContact CE1-CG 3.96Å; F561-Y572 HydrophobicContact CE1-CG 3.96Å; F561-Y572 HydrophobicContact CE2-CD1 4.44Å; F561-Y572 AromaticContact CZ-CD1 3.62Å; F561-Y572 HydrophobicContact CZ-CD1 3.62Å; F561-Y572 HydrophobicContact CZ-CD2 4.08Å; F561-Y572 HydrophobicContact CZ-CE1 4.26Å; F561-Y572 AromaticContact CZ-CG 3.53Å; F561-Y572 HydrophobicContact CZ-CG 3.53Å; M565-Y572 HydrophobicContact CE-CD2 3.92Å; M565-Y572 HydrophobicContact CE-CE2 3.68Å; V567-Y572 HydrophobicContact CG2-CD2 4.39Å; P568-Y572 PolarHBondContact O-N 2.98Å; L569-Y572 WeakPolarHBondContact O-CB 3.43Å; L569-Y572 PolarHBondContact O-N 3.05Å; Y572-R574 VanDerWaalsContact C-N 3.29Å; Y572-R574 PolarHBondContact O-N 2.83Å; Y572-K575 PolarHBondContact O-N 3.1Å; Y572-R576 HydrophobicContact CD1-CG 4.05Å; Y572-R576 HydrophobicContact CD2-CG 4.41Å; Y572-R576 HydrophobicContact CE1-CG 3.62Å; Y572-R576 HydrophobicContact CE2-CG 4.03Å; Y572-R576 HydrophobicContact CG-CG 4.41Å; Y572-R576 WeakPolarHBondContact O-CG 3.29Å; Y572-R576 PolarHBondContact O-N 3.16Å; Y572-F634 HydrophobicContact CD2-CE1 4.18Å; Y572-F634 HydrophobicContact CE2-CD1 4.42Å; Y572-F634 AromaticContact CE2-CE1 3.98Å; Y572-F634 HydrophobicContact CE2-CE1 3.98Å
573I90.7Very high87.9Confident17 Ų1738.9 Ų38.99%0.08720%0.195CC..Hα-helixtrans-57.8-44.8179.3-65.6165000110.5I533 I541 I546 L569 R576 R577I533-I573 HydrophobicContact CD1-CG1 4.47Å; I533-I573 HydrophobicContact CG2-CG1 3.9Å; I541-I573 HydrophobicContact CD1-CG2 4.2Å; I541-I573 HydrophobicContact CG2-CD1 3.98Å; I546-I573 HydrophobicContact CD1-CD1 3.85Å; L569-I573 HydrophobicContact CD1-CD1 4.11Å; L569-I573 HydrophobicContact CD1-CG1 4.46Å; L569-I573 HydrophobicContact CG-CD1 4.14Å; L569-I573 WeakPolarHBondContact O-CG1 3.39Å; L569-I573 PolarHBondContact O-N 2.87Å; I573-R576 PolarHBondContact O-N 2.84Å; I573-R577 WeakPolarHBondContact O-CB 3.48Å; I573-R577 WeakPolarHBondContact O-CG 3.41Å; I573-R577 PolarHBondContact O-N 2.81Å
574R90.7Very high88.6Confident95 Ų9533.6 Ų33.636%0.35817%0.167SC..Hα-helixtrans-62.1-45.6178.4-174.3172.7-74.7137.2-3.7112.1G486 G570 E571 Y572 R577 L578 F601G486-R574 PolarHBondContact O-NH2 3.21Å; G570-R574 WeakPolarHBondContact O-CB 3.49Å; G570-R574 PolarHBondContact O-N 2.97Å; E571-R574 PolarHBondContact O-N 2.95Å; Y572-R574 VanDerWaalsContact C-N 3.29Å; Y572-R574 PolarHBondContact O-N 2.83Å; R574-R577 PolarHBondContact O-N 3.36Å; R574-L578 WeakPolarHBondContact O-CG 3.48Å; R574-L578 PolarHBondContact O-N 3Å; R574-F601 HydrophobicContact CG-CE1 4.49Å
575K90.3Very high89.2Confident58 Ų5830.7 Ų30.725%0.25215%0.154SC..Hα-helixtrans-62-42.4175.5-75.9-180-177.7171.80112E571 Y572 L578 C579E571-K575 HydrophobicContact CG-CD 4.39Å; E571-K575 WeakPolarHBondContact O-CB 3.34Å; E571-K575 WeakPolarHBondContact O-CG 3.39Å; E571-K575 PolarHBondContact O-N 2.87Å; E571-K575 WeakPolarHBondContact OE1-CE 3.45Å; E571-K575 IonicContact OE1-NZ 3.64Å; E571-K575 PolarHBondContact OE1-NZ 3.36Å; Y572-K575 PolarHBondContact O-N 3.1Å; K575-L578 PolarHBondContact O-N 2.86Å; K575-C579 PolarHBondContact O-N 2.6Å; K575-C579 PolarHBondContact O-SG 2.9Å
576R90.5Very high89.7Confident16 Ų1632 Ų326%0.0616%0.158CC..Hα-helixtrans-65.1-40.1177.4-68.3-58.7-59.8152.72.9112.3E534 L537 Y572 I573 C579 R580 F634E534-R576 VanDerWaalsContact CD-NE 3.27Å; E534-R576 WeakPolarHBondContact OE1-CD 3.5Å; E534-R576 WeakPolarHBondContact OE1-CG 3.36Å; E534-R576 IonicContact OE1-CZ 2.74Å; E534-R576 IonicContact OE1-NE 3.74Å; E534-R576 PolarHBondContact OE1-NE 2.83Å; E534-R576 IonicContact OE1-NH2 3.44Å; E534-R576 IonicContact OE2-CZ 3.83Å; E534-R576 VanDerWaalsContact OE2-CZ 3.22Å; E534-R576 IonicContact OE2-NE 2.71Å; E534-R576 PolarHBondContact OE2-NE 2.84Å; E534-R576 IonicContact OE2-NH2 2.8Å; E534-R576 PolarHBondContact OE2-NH2 2.9Å; L537-R576 HydrophobicContact CD1-CB 4.03Å; L537-R576 HydrophobicContact CD2-CB 3.84Å; Y572-R576 HydrophobicContact CD1-CG 4.05Å; Y572-R576 HydrophobicContact CD2-CG 4.41Å; Y572-R576 HydrophobicContact CE1-CG 3.62Å; Y572-R576 HydrophobicContact CE2-CG 4.03Å; Y572-R576 HydrophobicContact CG-CG 4.41Å; Y572-R576 WeakPolarHBondContact O-CG 3.29Å; Y572-R576 PolarHBondContact O-N 3.16Å; I573-R576 PolarHBondContact O-N 2.84Å; R576-C579 WeakPolarHBondContact O-CB 3.4Å; R576-C579 PolarHBondContact O-N 2.68Å; R576-R580 PolarHBondContact O-N 2.81Å; R576-F634 PolarHBondContact NH1-O 2.92Å
577R93.3Very high90.1Very high31 Ų3125.9 Ų25.912%0.11713%0.131CC..Hα-helixtrans-60.8-42.4170.7-77.9172.5166.21785.7112.5L537 H539 I573 R574 C579 R580 A581 L599 F601L537-R577 HydrophobicContact CB-CG 4.33Å; L537-R577 HydrophobicContact CD2-CG 4.25Å; L537-R577 PolarHBondContact O-NE 2.74Å; H539-R577 PolarHBondContact O-NH2 2.97Å; I573-R577 WeakPolarHBondContact O-CB 3.48Å; I573-R577 WeakPolarHBondContact O-CG 3.41Å; I573-R577 PolarHBondContact O-N 2.81Å; R574-R577 PolarHBondContact O-N 3.36Å; R577-C579 PolarHBondContact O-N 2.97Å; R577-R580 PolarHBondContact O-N 2.63Å; R577-A581 WeakPolarHBondContact O-CB 3.48Å; R577-A581 PolarHBondContact O-N 3.22Å; R577-L599 HydrophobicContact CB-CB 4.45Å; R577-L599 WeakPolarHBondContact CD-O 3.38Å; R577-L599 HydrophobicContact CG-CB 4.49Å; R577-L599 HydrophobicContact CG-CD2 4.37Å; R577-L599 PolarHBondContact NE-O 2.81Å; R577-L599 PolarHBondContact NH1-O 3.03Å; R577-L599 WeakPolarHBondContact O-CD1 3.49Å; R577-F601 HydrophobicContact CB-CE2 4.05Å; R577-F601 HydrophobicContact CB-CZ 4.13Å
578L93.3Very high90.5Very high4 Ų424.8 Ų24.82%0.02112%0.124CC..Hα-helixtrans-64.4-38.8175-69.3168.5000112.7R574 K575 A581 A582 F601 F607 E610 F611 L614 F615R574-L578 WeakPolarHBondContact O-CG 3.48Å; R574-L578 PolarHBondContact O-N 3Å; K575-L578 PolarHBondContact O-N 2.86Å; L578-A581 WeakPolarHBondContact O-CB 3.49Å; L578-A581 PolarHBondContact O-N 3.32Å; L578-A582 PolarHBondContact O-N 3.37Å; L578-F601 HydrophobicContact CD2-CE1 3.9Å; L578-F601 HydrophobicContact CD2-CE2 4.46Å; L578-F601 HydrophobicContact CD2-CZ 3.52Å; L578-F601 HydrophobicContact CG-CE1 4.35Å; L578-F601 HydrophobicContact CG-CZ 3.85Å; L578-F607 HydrophobicContact CD2-CD2 4.21Å; L578-F607 HydrophobicContact CD2-CE2 4.22Å; L578-E610 HydrophobicContact CD1-CB 4.32Å; L578-E610 HydrophobicContact CD1-CG 3.71Å; L578-E610 HydrophobicContact CD2-CB 4.33Å; L578-F611 HydrophobicContact CD2-CB 4.14Å; L578-F611 HydrophobicContact CD2-CD2 4.38Å; L578-L614 HydrophobicContact CB-CD2 3.79Å; L578-L614 HydrophobicContact CD1-CB 4.41Å; L578-L614 HydrophobicContact CD1-CD2 3.92Å; L578-F615 HydrophobicContact CB-CE2 4.35Å
579C90.9Very high90.8Very high2 Ų224.2 Ų24.21%0.01412%0.124CC..Hα-helixtrans-62.8-44.7174-63.90000111.2K575 R576 R577 A581 A582 I583 I633 F634K575-C579 PolarHBondContact O-N 2.6Å; K575-C579 PolarHBondContact O-SG 2.9Å; R576-C579 WeakPolarHBondContact O-CB 3.4Å; R576-C579 PolarHBondContact O-N 2.68Å; R577-C579 PolarHBondContact O-N 2.97Å; C579-A581 VanDerWaalsContact C-N 3.31Å; C579-A581 PolarHBondContact O-N 3.47Å; C579-A582 WeakPolarHBondContact O-CB 3.32Å; C579-A582 PolarHBondContact O-N 2.97Å; C579-I583 PolarHBondContact O-N 3.14Å; C579-I633 HydrophobicContact CB-CG2 4.32Å; C579-F634 PolarHBondContact SG-N 2.82Å
580R90.9Very high91Very high12 Ų1225.4 Ų25.45%0.04513%0.129CC..Hα-helixtrans-61.4-41.4174.4-177.857.4173.5166.81.9111.6L537 E538 R576 R577 A582 I583 L584 L599 V668L537-R580 HydrophobicContact CD1-CB 4.38Å; E538-R580 IonicContact OE1-CZ 3.79Å; E538-R580 VanDerWaalsContact OE1-CZ 3.25Å; E538-R580 IonicContact OE1-NE 3.48Å; E538-R580 PolarHBondContact OE1-NE 2.71Å; E538-R580 IonicContact OE1-NH2 3.39Å; E538-R580 PolarHBondContact OE1-NH2 2.68Å; R576-R580 PolarHBondContact O-N 2.81Å; R577-R580 PolarHBondContact O-N 2.63Å; R580-A582 VanDerWaalsContact C-N 3.32Å; R580-A582 PolarHBondContact O-N 3.03Å; R580-I583 WeakPolarHBondContact O-CB 3.42Å; R580-I583 PolarHBondContact O-N 3.39Å; R580-L584 HydrophobicContact CG-CD1 4.34Å; R580-L584 WeakPolarHBondContact O-CG 3.35Å; R580-L584 PolarHBondContact O-N 3.45Å; R580-L599 HydrophobicContact CB-CD2 4.13Å; R580-L599 HydrophobicContact CG-CD2 3.76Å; R580-V668 PolarHBondContact NH1-O 2.85Å; R580-V668 PolarHBondContact NH2-O 3.14Å
581A93.4Very high91.4Very high0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-59.4-42.4174.800000111.8R577 L578 C579 I583 L584 V585 I595 L599 F607 F611R577-A581 WeakPolarHBondContact O-CB 3.48Å; R577-A581 PolarHBondContact O-N 3.22Å; L578-A581 WeakPolarHBondContact O-CB 3.49Å; L578-A581 PolarHBondContact O-N 3.32Å; C579-A581 VanDerWaalsContact C-N 3.31Å; C579-A581 PolarHBondContact O-N 3.47Å; A581-I583 VanDerWaalsContact C-N 3.27Å; A581-I583 PolarHBondContact O-N 3.09Å; A581-L584 PolarHBondContact O-N 3.25Å; A581-V585 VanDerWaalsContact O-CB 3.27Å; A581-V585 WeakPolarHBondContact O-CB 3.5Å; A581-V585 WeakPolarHBondContact O-CG2 3.22Å; A581-V585 PolarHBondContact O-N 3.18Å; A581-I595 HydrophobicContact CB-CG2 3.9Å; A581-L599 HydrophobicContact CB-CD1 3.5Å; A581-F607 HydrophobicContact CB-CE2 3.44Å; A581-F607 VanDerWaalsContact CB-CE2 3.44Å; A581-F607 HydrophobicContact CB-CZ 3.77Å; A581-F611 HydrophobicContact CB-CD2 4.33Å; A581-F611 HydrophobicContact CB-CE2 4.28Å
582A92.6Very high91.7Very high0 Ų023.3 Ų23.30%012%0.115CC..Hα-helixtrans-60.2-38.6179.200000112.3L578 C579 R580 R586 F611 F615 Y622L578-A582 PolarHBondContact O-N 3.37Å; C579-A582 WeakPolarHBondContact O-CB 3.32Å; C579-A582 PolarHBondContact O-N 2.97Å; R580-A582 VanDerWaalsContact C-N 3.32Å; R580-A582 PolarHBondContact O-N 3.03Å; A582-R586 WeakPolarHBondContact O-CB 3.37Å; A582-R586 PolarHBondContact O-N 3.39Å; A582-F611 HydrophobicContact CB-CE2 3.89Å; A582-F611 HydrophobicContact CB-CZ 4Å; A582-F615 HydrophobicContact CB-CE1 3.93Å; A582-F615 HydrophobicContact CB-CE2 3.89Å; A582-F615 HydrophobicContact CB-CZ 3.48Å; A582-F615 VanDerWaalsContact CB-CZ 3.48Å; A582-Y622 HydrophobicContact CB-CE1 3.88Å
583I90.9Very high91.9Very high18 Ų1827 Ų279%0.09213%0.134CC..Hα-helixtrans-64-51.6173.7-59.8167.2000110.4C579 R580 A581 V585 R586 L587 W628 V668 L758C579-I583 PolarHBondContact O-N 3.14Å; R580-I583 WeakPolarHBondContact O-CB 3.42Å; R580-I583 PolarHBondContact O-N 3.39Å; A581-I583 VanDerWaalsContact C-N 3.27Å; A581-I583 PolarHBondContact O-N 3.09Å; I583-V585 VanDerWaalsContact C-N 3.34Å; I583-V585 PolarHBondContact O-N 3.41Å; I583-R586 PolarHBondContact O-N 3.03Å; I583-R586 VanDerWaalsContact O-N 3.15Å; I583-L587 HydrophobicContact CG2-CD1 3.69Å; I583-L587 HydrophobicContact CG2-CG 4.34Å; I583-L587 WeakPolarHBondContact O-CB 3.5Å; I583-L587 PolarHBondContact O-N 3.42Å; I583-W628 HydrophobicContact CG1-CZ2 4.15Å; I583-V668 HydrophobicContact CG2-CG1 3.94Å; I583-L758 HydrophobicContact CD1-CD2 3.79Å; I583-L758 HydrophobicContact CG1-CD2 4.48Å
584L92.4Very high92.1Very high2 Ų229.7 Ų29.71%0.0115%0.148CC..Hα-helixtrans-62-41.8-179.9-66.1176.3000111.8R580 A581 R586 T588 I595 L599 V668R580-L584 HydrophobicContact CG-CD1 4.34Å; R580-L584 WeakPolarHBondContact O-CG 3.35Å; R580-L584 PolarHBondContact O-N 3.45Å; A581-L584 PolarHBondContact O-N 3.25Å; L584-R586 PolarHBondContact O-N 2.94Å; L584-T588 HydrophobicContact CD2-CG2 3.95Å; L584-T588 WeakPolarHBondContact O-CB 3.49Å; L584-T588 PolarHBondContact O-N 3.42Å; L584-T588 PolarHBondContact O-OG1 3.08Å; L584-I595 HydrophobicContact CB-CD1 4.09Å; L584-I595 HydrophobicContact CB-CG1 4.22Å; L584-I595 HydrophobicContact CB-CG2 4.44Å; L584-I595 HydrophobicContact CD1-CG2 4.47Å; L584-L599 HydrophobicContact CD1-CD1 4.29Å; L584-V668 HydrophobicContact CD2-CB 4.34Å; L584-V668 HydrophobicContact CD2-CG1 4.05Å
585V93.1Very high92.2Very high0 Ų025.1 Ų25.10%013%0.131CC..Hα-helixtrans-57.6-38.4177.3164.60000110.8A581 I583 M592 I595 F607 F611 P619 Y622 R623A581-V585 VanDerWaalsContact O-CB 3.27Å; A581-V585 WeakPolarHBondContact O-CB 3.5Å; A581-V585 WeakPolarHBondContact O-CG2 3.22Å; A581-V585 PolarHBondContact O-N 3.18Å; I583-V585 VanDerWaalsContact C-N 3.34Å; I583-V585 PolarHBondContact O-N 3.41Å; V585-M592 HydrophobicContact CG1-CE 4.15Å; V585-M592 HydrophobicContact CG2-CE 4.22Å; V585-M592 HydrophobicContact CG2-SD 3.92Å; V585-I595 HydrophobicContact CB-CD1 4.47Å; V585-I595 HydrophobicContact CG2-CD1 3.74Å; V585-F607 HydrophobicContact CG2-CZ 4.44Å; V585-F611 HydrophobicContact CG2-CE2 4.48Å; V585-P619 WeakPolarHBondContact CG1-O 3.46Å; V585-P619 HydrophobicContact CG2-CB 4.23Å; V585-Y622 HydrophobicContact CG1-CD1 3.92Å; V585-R623 HydrophobicContact CG1-CB 3.84Å; V585-R623 PolarHBondContact O-NE 3.06Å; V585-R623 PolarHBondContact O-NH2 3.01Å
586R90Very high92.4Very high47 Ų4722.4 Ų22.418%0.17712%0.119CC..Hα-helixtrans-86.6-36.5-175.7-167.761.4175.991.8-7114.2A582 I583 L584 W628 N770A582-R586 WeakPolarHBondContact O-CB 3.37Å; A582-R586 PolarHBondContact O-N 3.39Å; I583-R586 PolarHBondContact O-N 3.03Å; I583-R586 VanDerWaalsContact O-N 3.15Å; L584-R586 PolarHBondContact O-N 2.94Å; R586-W628 HydrophobicContact CB-CD2 4.43Å; R586-W628 HydrophobicContact CB-CZ2 4.38Å; R586-W628 HydrophobicContact CG-CD2 3.84Å; R586-W628 HydrophobicContact CG-CE3 4.31Å; R586-W628 HydrophobicContact CG-CG 3.95Å; R586-N770 PolarHBondContact NH2-OD1 3.07Å
587L90.2Very high92.5Very high32 Ų3226.2 Ų26.217%0.16814%0.14CC..Hα-helixtrans-102.3-15.9-169.9-62.6-175000114.4I583 W628 V668 L711I583-L587 HydrophobicContact CG2-CD1 3.69Å; I583-L587 HydrophobicContact CG2-CG 4.34Å; I583-L587 WeakPolarHBondContact O-CB 3.5Å; I583-L587 PolarHBondContact O-N 3.42Å; L587-W628 HydrophobicContact CD1-CH2 4.23Å; L587-W628 HydrophobicContact CD2-CZ3 4.35Å; L587-W628 HydrophobicContact CG-CH2 4.36Å; L587-V668 HydrophobicContact CB-CG2 4.13Å; L587-V668 HydrophobicContact CD1-CG1 4.34Å; L587-L711 HydrophobicContact CB-CD1 4.18Å; L587-L711 HydrophobicContact CD1-CD2 4.42Å; L587-L711 HydrophobicContact CD2-CD1 4.33Å; L587-L711 VanDerWaalsContact O-CD1 3.27Å; L587-L711 WeakPolarHBondContact O-CD1 3.41Å
588T91.6Very high92.4Very high1 Ų126.1 Ų26.11%0.00614%0.144CC..  trans-122156.9-175.374.40000111.9L584 K590 R623 V668 V708L584-T588 HydrophobicContact CD2-CG2 3.95Å; L584-T588 WeakPolarHBondContact O-CB 3.49Å; L584-T588 PolarHBondContact O-N 3.42Å; L584-T588 PolarHBondContact O-OG1 3.08Å; T588-K590 VanDerWaalsContact C-N 3.3Å; T588-R623 PolarHBondContact O-NH2 2.91Å; T588-V668 HydrophobicContact CG2-CB 3.94Å; T588-V668 HydrophobicContact CG2-CG1 4.48Å; T588-V668 HydrophobicContact CG2-CG2 3.63Å; T588-V708 WeakPolarHBondContact CB-O 3.41Å
589A91Very high92.4Very high46 Ų4625.9 Ų25.938%0.3814%0.143SC..  trans-861.4176.200000113.3P703 V708A589-P703 HydrophobicContact CB-CB 4Å; A589-V708 HydrophobicContact CB-CB 4.37Å; A589-V708 HydrophobicContact CB-CG1 4.25Å; A589-V708 PolarHBondContact N-O 2.92Å
590K92.6Very high92.4Very high34 Ų3429.4 Ų29.415%0.14816%0.159CC..  trans-47.9143.9178.1-71.4-178.9179.1-78.90112.2T588 I595 R623 V708 D709T588-K590 VanDerWaalsContact C-N 3.3Å; K590-I595 HydrophobicContact CB-CD1 4.05Å; K590-I595 HydrophobicContact CB-CG1 3.69Å; K590-I595 HydrophobicContact CD-CG1 4.15Å; K590-R623 PolarHBondContact O-NH1 3.19Å; K590-R623 PolarHBondContact O-NH2 3.09Å; K590-V708 PolarHBondContact N-O 3.18Å; K590-D709 WeakPolarHBondContact CE-OD1 3.49Å; K590-D709 IonicContact NZ-OD1 3.27Å; K590-D709 PolarHBondContact NZ-OD1 3.33Å; K590-D709 IonicContact NZ-OD2 2.62Å
591S93.7Very high92.5Very high50 Ų5029.7 Ų29.735%0.3516%0.161SC..  trans-70.3158.8173.981.70000110.8L593 D594 I595S591-L593 PolarHBondContact O-N 2.99Å; S591-L593 PolarHBondContact OG-N 2.9Å; S591-D594 VanDerWaalsContact CB-OD2 3.27Å; S591-D594 WeakPolarHBondContact CB-OD2 3.47Å; S591-D594 PolarHBondContact N-OD2 3.25Å; S591-D594 PolarHBondContact O-N 3.38Å; S591-D594 PolarHBondContact OG-N 2.98Å; S591-D594 PolarHBondContact OG-OD2 3.49Å; S591-I595 WeakPolarHBondContact O-CG1 3.16Å; S591-I595 PolarHBondContact O-N 3.07Å
592M94.3Very high92.2Very high24 Ų2436.1 Ų36.112%0.11820%0.196CC..Hα-helixtrans-63.8-28.3176.2-61.9-57.7146.500112.2V585 A596 Q604 F607 P619V585-M592 HydrophobicContact CG1-CE 4.15Å; V585-M592 HydrophobicContact CG2-CE 4.22Å; V585-M592 HydrophobicContact CG2-SD 3.92Å; M592-A596 VanDerWaalsContact O-CB 3.28Å; M592-A596 WeakPolarHBondContact O-CB 3.45Å; M592-A596 PolarHBondContact O-N 2.95Å; M592-A596 VanDerWaalsContact O-N 3.09Å; M592-Q604 HydrophobicContact CB-CG 4.13Å; M592-F607 HydrophobicContact SD-CE1 4.42Å; M592-P619 HydrophobicContact CE-CB 4.4Å; M592-P619 HydrophobicContact CG-CB 4.43Å; M592-P619 HydrophobicContact SD-CB 3.43Å; M592-P619 WeakPolarHBondContact SD-CB 3.21Å
593L94.2Very high92Very high78 Ų7838 Ų3841%0.40821%0.209SC..Hα-helixtrans-67.2-48.7173.6-178.660.9000110.3S591 I595 A596 L597 Q604S591-L593 PolarHBondContact O-N 2.99Å; S591-L593 PolarHBondContact OG-N 2.9Å; L593-I595 VanDerWaalsContact C-N 3.35Å; L593-I595 PolarHBondContact O-N 3.32Å; L593-A596 WeakPolarHBondContact O-CB 3.46Å; L593-A596 PolarHBondContact O-N 3.2Å; L593-A596 VanDerWaalsContact O-N 3.15Å; L593-L597 HydrophobicContact CD1-CD1 4.02Å; L593-L597 HydrophobicContact CD1-CG 4.14Å; L593-L597 HydrophobicContact CG-CD1 3.97Å; L593-L597 HydrophobicContact CG-CG 4.43Å; L593-L597 WeakPolarHBondContact O-CG 3.5Å; L593-L597 PolarHBondContact O-N 3.01Å; L593-Q604 HydrophobicContact CD1-CB 4.17Å
594D93.3Very high92.1Very high73 Ų7340.6 Ų40.639%0.3922%0.22SC..Hα-helixtrans-63.1-42.2-178.7-57-38000111.4S591 A596 L597 S598S591-D594 VanDerWaalsContact CB-OD2 3.27Å; S591-D594 WeakPolarHBondContact CB-OD2 3.47Å; S591-D594 PolarHBondContact N-OD2 3.25Å; S591-D594 PolarHBondContact O-N 3.38Å; S591-D594 PolarHBondContact OG-N 2.98Å; S591-D594 PolarHBondContact OG-OD2 3.49Å; D594-A596 VanDerWaalsContact C-N 3.34Å; D594-A596 PolarHBondContact O-N 3.16Å; D594-L597 PolarHBondContact O-N 3.29Å; D594-S598 VanDerWaalsContact O-CB 3.24Å; D594-S598 WeakPolarHBondContact O-CB 3.38Å; D594-S598 PolarHBondContact O-N 3.41Å; D594-S598 PolarHBondContact O-OG 3.37Å
595I94.3Very high92.1Very high0 Ų047.2 Ų47.20%025%0.251CS..Hα-helixtrans-62.6-42.1175.4-64.9171.5000110.8A581 L584 V585 K590 S591 L593 S598 L599 F607A581-I595 HydrophobicContact CB-CG2 3.9Å; L584-I595 HydrophobicContact CB-CD1 4.09Å; L584-I595 HydrophobicContact CB-CG1 4.22Å; L584-I595 HydrophobicContact CB-CG2 4.44Å; L584-I595 HydrophobicContact CD1-CG2 4.47Å; V585-I595 HydrophobicContact CB-CD1 4.47Å; V585-I595 HydrophobicContact CG2-CD1 3.74Å; K590-I595 HydrophobicContact CB-CD1 4.05Å; K590-I595 HydrophobicContact CB-CG1 3.69Å; K590-I595 HydrophobicContact CD-CG1 4.15Å; S591-I595 WeakPolarHBondContact O-CG1 3.16Å; S591-I595 PolarHBondContact O-N 3.07Å; L593-I595 VanDerWaalsContact C-N 3.35Å; L593-I595 PolarHBondContact O-N 3.32Å; I595-S598 PolarHBondContact O-OG 3.37Å; I595-L599 HydrophobicContact CG2-CD1 3.89Å; I595-L599 WeakPolarHBondContact O-CB 3.34Å; I595-L599 WeakPolarHBondContact O-CG 3.35Å; I595-L599 PolarHBondContact O-N 2.74Å; I595-F607 HydrophobicContact CG2-CZ 4.11Å
596A94.4Very high92.1Very high0 Ų048.3 Ų48.30%026%0.259CS..Hα-helixtrans-64.6-44.5178.700000111.7M592 L593 D594 L599 H600 F601 F607M592-A596 VanDerWaalsContact O-CB 3.28Å; M592-A596 WeakPolarHBondContact O-CB 3.45Å; M592-A596 PolarHBondContact O-N 2.95Å; M592-A596 VanDerWaalsContact O-N 3.09Å; L593-A596 WeakPolarHBondContact O-CB 3.46Å; L593-A596 PolarHBondContact O-N 3.2Å; L593-A596 VanDerWaalsContact O-N 3.15Å; D594-A596 VanDerWaalsContact C-N 3.34Å; D594-A596 PolarHBondContact O-N 3.16Å; A596-L599 CarbonylContact O-C 3.02Å; A596-H600 PolarHBondContact O-N 2.98Å; A596-F601 HydrophobicContact CB-CB 4.32Å; A596-F601 PolarHBondContact O-N 2.83Å; A596-F607 HydrophobicContact CB-CB 3.71Å; A596-F607 HydrophobicContact CB-CD1 3.88Å; A596-F607 HydrophobicContact CB-CG 3.84Å
597L92Very high92.4Very high96 Ų9646 Ų4650%0.50325%0.25SS..Hα-helixtrans-69.9-43.3179.6-68.1177.2000112L593 D594 L599 H600L593-L597 HydrophobicContact CD1-CD1 4.02Å; L593-L597 HydrophobicContact CD1-CG 4.14Å; L593-L597 HydrophobicContact CG-CD1 3.97Å; L593-L597 HydrophobicContact CG-CG 4.43Å; L593-L597 WeakPolarHBondContact O-CG 3.5Å; L593-L597 PolarHBondContact O-N 3.01Å; D594-L597 PolarHBondContact O-N 3.29Å; L597-L599 PolarHBondContact O-N 3.21Å; L597-H600 PolarHBondContact O-N 3.25Å
598S91.4Very high92.6Very high29 Ų2946.1 Ų46.120%0.20325%0.253CS..Hα-helixtrans-64.2-26.9178.975.90000112.3E538 D594 I595E538-S598 CarbonylContact C-O 3.59Å; E538-S598 VanDerWaalsContact CA-O 3.23Å; E538-S598 WeakPolarHBondContact CA-O 3.39Å; D594-S598 VanDerWaalsContact O-CB 3.24Å; D594-S598 WeakPolarHBondContact O-CB 3.38Å; D594-S598 PolarHBondContact O-N 3.41Å; D594-S598 PolarHBondContact O-OG 3.37Å; I595-S598 PolarHBondContact O-OG 3.37Å
599L93.5Very high92.7Very high0 Ų053.2 Ų53.20%028%0.28CS..THydrogen-bonded Turntrans-99.112.9175.5-64.8168.3000112.9E538 R577 R580 A581 L584 I595 A596 L597 F601E538-L599 HydrophobicContact CG-CD2 3.67Å; R577-L599 HydrophobicContact CB-CB 4.45Å; R577-L599 WeakPolarHBondContact CD-O 3.38Å; R577-L599 HydrophobicContact CG-CB 4.49Å; R577-L599 HydrophobicContact CG-CD2 4.37Å; R577-L599 PolarHBondContact NE-O 2.81Å; R577-L599 PolarHBondContact NH1-O 3.03Å; R577-L599 WeakPolarHBondContact O-CD1 3.49Å; R580-L599 HydrophobicContact CB-CD2 4.13Å; R580-L599 HydrophobicContact CG-CD2 3.76Å; A581-L599 HydrophobicContact CB-CD1 3.5Å; L584-L599 HydrophobicContact CD1-CD1 4.29Å; I595-L599 HydrophobicContact CG2-CD1 3.89Å; I595-L599 WeakPolarHBondContact O-CB 3.34Å; I595-L599 WeakPolarHBondContact O-CG 3.35Å; I595-L599 PolarHBondContact O-N 2.74Å; A596-L599 CarbonylContact O-C 3.02Å; L597-L599 PolarHBondContact O-N 3.21Å; L599-F601 HydrophobicContact CB-CD2 3.92Å; L599-F601 HydrophobicContact CB-CE2 3.84Å; L599-F601 PolarHBondContact O-N 2.63Å
600H91.5Very high92.8Very high75 Ų7553.6 Ų53.635%0.34727%0.274SS..THydrogen-bonded Turntrans53.247.4176-57.6-76.3000114.1E538 H539 P540 A596 L597E538-H600 PolarHBondContact O-NE2 2.95Å; H539-H600 VanDerWaalsContact CA-NE2 3.32Å; H539-H600 WeakPolarHBondContact CA-NE2 3.49Å; H539-H600 PolarHBondContact O-CD2 2.86Å; H539-H600 VanDerWaalsContact O-CD2 3.25Å; P540-H600 VanDerWaalsContact CD-NE2 3.28Å; P540-H600 WeakPolarHBondContact CD-NE2 3.36Å; A596-H600 PolarHBondContact O-N 2.98Å; L597-H600 PolarHBondContact O-N 3.25Å
601F91.9Very high92.9Very high19 Ų1952 Ų528%0.08327%0.267CS..  trans-85.6141.6160-70.3-92.4000109.4R574 R577 L578 A596 L599 S603 F607R574-F601 HydrophobicContact CG-CE1 4.49Å; R577-F601 HydrophobicContact CB-CE2 4.05Å; R577-F601 HydrophobicContact CB-CZ 4.13Å; L578-F601 HydrophobicContact CD2-CE1 3.9Å; L578-F601 HydrophobicContact CD2-CE2 4.46Å; L578-F601 HydrophobicContact CD2-CZ 3.52Å; L578-F601 HydrophobicContact CG-CE1 4.35Å; L578-F601 HydrophobicContact CG-CZ 3.85Å; A596-F601 HydrophobicContact CB-CB 4.32Å; A596-F601 PolarHBondContact O-N 2.83Å; L599-F601 HydrophobicContact CB-CD2 3.92Å; L599-F601 HydrophobicContact CB-CE2 3.84Å; L599-F601 PolarHBondContact O-N 2.63Å; F601-S603 PolarHBondContact O-N 3.21Å; F601-S603 VanDerWaalsContact O-N 3.09Å; F601-F607 HydrophobicContact CB-CB 3.9Å; F601-F607 HydrophobicContact CD1-CB 4.08Å; F601-F607 HydrophobicContact CD1-CD2 4.39Å; F601-F607 HydrophobicContact CD2-CB 4.27Å; F601-F607 AromaticContact CD2-CD2 3.85Å; F601-F607 HydrophobicContact CD2-CD2 3.85Å; F601-F607 HydrophobicContact CD2-CG 4.4Å; F601-F607 HydrophobicContact CE1-CD2 4.33Å; F601-F607 AromaticContact CE2-CD2 3.79Å; F601-F607 HydrophobicContact CE2-CD2 3.79Å; F601-F607 HydrophobicContact CE2-CE2 4.39Å; F601-F607 HydrophobicContact CG-CB 3.82Å; F601-F607 HydrophobicContact CG-CD2 4.16Å; F601-F607 HydrophobicContact CG-CG 4.42Å; F601-F607 HydrophobicContact CZ-CD2 4.05Å
602D86.4Confident93Very high135 Ų13555 Ų5572%0.72227%0.274SS*.SBendtrans-58.8-28.1-176.9-47.1-48.2000113.4
603S89.5Confident92.8Very high39 Ų3960.6 Ų60.627%0.27330%0.297SS..  trans-161.5157.9179.460.10000111.5F601 Q605 S606 F607F601-S603 PolarHBondContact O-N 3.21Å; F601-S603 VanDerWaalsContact O-N 3.09Å; S603-Q605 PolarHBondContact O-N 3.33Å; S603-S606 PolarHBondContact O-N 3.19Å; S603-S606 WeakPolarHBondContact OG-CB 3.05Å; S603-S606 PolarHBondContact OG-N 3.43Å; S603-S606 VanDerWaalsContact OG-N 3.12Å; S603-F607 WeakPolarHBondContact O-CB 3.34Å; S603-F607 PolarHBondContact O-N 3.08Å
604Q92.9Very high92.7Very high73 Ų7358.9 Ų58.934%0.34129%0.289SS..Hα-helixtrans-57.8-33.9171.3-175.9-175.1-34.700111.9M592 L593 S608M592-Q604 HydrophobicContact CB-CG 4.13Å; L593-Q604 HydrophobicContact CD1-CB 4.17Å; Q604-S608 VanDerWaalsContact O-CB 3.29Å; Q604-S608 WeakPolarHBondContact O-CB 3.19Å; Q604-S608 PolarHBondContact O-N 3.41Å; Q604-S608 PolarHBondContact O-OG 3.09Å
605Q93.1Very high92.5Very high140 Ų14055.6 Ų55.665%0.65427%0.271SS*.Hα-helixtrans-68-45.5178.2-64.582.8-4.800111.4S603 S608 R609S603-Q605 PolarHBondContact O-N 3.33Å; Q605-S608 PolarHBondContact O-N 3.48Å; Q605-R609 WeakPolarHBondContact O-CB 3.25Å; Q605-R609 PolarHBondContact O-N 3.22Å
606S92.3Very high92.3Very high23 Ų2358.3 Ų58.316%0.16130%0.299CS..Hα-helixtrans-61.9-46.5176.2-168.30000110.9S603 R609 E610S603-S606 PolarHBondContact O-N 3.19Å; S603-S606 WeakPolarHBondContact OG-CB 3.05Å; S603-S606 PolarHBondContact OG-N 3.43Å; S603-S606 VanDerWaalsContact OG-N 3.12Å; S606-R609 PolarHBondContact O-N 2.81Å; S606-E610 PolarHBondContact O-N 2.84Å
607F95.5Very high92.2Very high0 Ų058.6 Ų58.60%030%0.301CS..Hα-helixtrans-54.6-53.7173166.1-115.3000112.1L578 A581 V585 M592 I595 A596 F601 S603 R609 E610 F611 P619L578-F607 HydrophobicContact CD2-CD2 4.21Å; L578-F607 HydrophobicContact CD2-CE2 4.22Å; A581-F607 HydrophobicContact CB-CE2 3.44Å; A581-F607 VanDerWaalsContact CB-CE2 3.44Å; A581-F607 HydrophobicContact CB-CZ 3.77Å; V585-F607 HydrophobicContact CG2-CZ 4.44Å; M592-F607 HydrophobicContact SD-CE1 4.42Å; I595-F607 HydrophobicContact CG2-CZ 4.11Å; A596-F607 HydrophobicContact CB-CB 3.71Å; A596-F607 HydrophobicContact CB-CD1 3.88Å; A596-F607 HydrophobicContact CB-CG 3.84Å; F601-F607 HydrophobicContact CB-CB 3.9Å; F601-F607 HydrophobicContact CD1-CB 4.08Å; F601-F607 HydrophobicContact CD1-CD2 4.39Å; F601-F607 HydrophobicContact CD2-CB 4.27Å; F601-F607 AromaticContact CD2-CD2 3.85Å; F601-F607 HydrophobicContact CD2-CD2 3.85Å; F601-F607 HydrophobicContact CD2-CG 4.4Å; F601-F607 HydrophobicContact CE1-CD2 4.33Å; F601-F607 AromaticContact CE2-CD2 3.79Å; F601-F607 HydrophobicContact CE2-CD2 3.79Å; F601-F607 HydrophobicContact CE2-CE2 4.39Å; F601-F607 HydrophobicContact CG-CB 3.82Å; F601-F607 HydrophobicContact CG-CD2 4.16Å; F601-F607 HydrophobicContact CG-CG 4.42Å; F601-F607 HydrophobicContact CZ-CD2 4.05Å; S603-F607 WeakPolarHBondContact O-CB 3.34Å; S603-F607 PolarHBondContact O-N 3.08Å; F607-R609 VanDerWaalsContact C-N 3.31Å; F607-R609 PolarHBondContact O-N 3.22Å; F607-E610 PolarHBondContact O-N 3.33Å; F607-F611 HydrophobicContact CE2-CB 4.22Å; F607-F611 AromaticContact CE2-CD2 3.74Å; F607-F611 HydrophobicContact CE2-CD2 3.74Å; F607-F611 HydrophobicContact CE2-CG 4.39Å; F607-F611 HydrophobicContact CZ-CB 4.45Å; F607-F611 AromaticContact CZ-CD2 3.77Å; F607-F611 HydrophobicContact CZ-CD2 3.77Å; F607-F611 HydrophobicContact CZ-CE2 4.4Å; F607-F611 HydrophobicContact CZ-CG 4.35Å; F607-F611 VanDerWaalsContact O-CB 3.25Å; F607-F611 WeakPolarHBondContact O-CB 3.5Å; F607-F611 PolarHBondContact O-N 2.87Å; F607-P619 HydrophobicContact CD1-CG 4.27Å; F607-P619 HydrophobicContact CE1-CB 3.97Å; F607-P619 HydrophobicContact CE1-CG 3.59Å; F607-P619 HydrophobicContact CZ-CB 4.27Å; F607-P619 HydrophobicContact CZ-CG 3.92Å
608S95.7Very high92.3Very high33 Ų3355.6 Ų55.623%0.23129%0.288CS..Hα-helixtrans-62.6-38.3-176.1-60.50000112.4Q604 Q605 K612Q604-S608 VanDerWaalsContact O-CB 3.29Å; Q604-S608 WeakPolarHBondContact O-CB 3.19Å; Q604-S608 PolarHBondContact O-N 3.41Å; Q604-S608 PolarHBondContact O-OG 3.09Å; Q605-S608 PolarHBondContact O-N 3.48Å; S608-K612 VanDerWaalsContact O-CB 3.32Å; S608-K612 WeakPolarHBondContact O-CB 3.47Å; S608-K612 PolarHBondContact O-N 2.82Å
609R94.2Very high92.5Very high151 Ų15154.3 Ų54.357%0.5728%0.279SS*.Hα-helixtrans-65-46.7176.4179.717861.7-146.3-3.7111.3Q605 S606 F607 K612 K613Q605-R609 WeakPolarHBondContact O-CB 3.25Å; Q605-R609 PolarHBondContact O-N 3.22Å; S606-R609 PolarHBondContact O-N 2.81Å; F607-R609 VanDerWaalsContact C-N 3.31Å; F607-R609 PolarHBondContact O-N 3.22Å; R609-K612 PolarHBondContact O-N 3.2Å; R609-K613 WeakPolarHBondContact O-CG 3.46Å; R609-K613 PolarHBondContact O-N 3.17Å; R609-K613 VanDerWaalsContact O-N 3.1Å
610E92.8Very high92.5Very high54 Ų5463.1 Ų63.125%0.25231%0.312SS..Hα-helixtrans-72.6-37.4-177.7-155.868.1-173.500112L578 S606 F607 K612 K613 L614L578-E610 HydrophobicContact CD1-CB 4.32Å; L578-E610 HydrophobicContact CD1-CG 3.71Å; L578-E610 HydrophobicContact CD2-CB 4.33Å; S606-E610 PolarHBondContact O-N 2.84Å; F607-E610 PolarHBondContact O-N 3.33Å; E610-K612 VanDerWaalsContact C-N 3.33Å; E610-K612 PolarHBondContact O-N 2.78Å; E610-K613 PolarHBondContact O-N 3.3Å; E610-K613 WeakPolarHBondContact OE2-CD 3.34Å; E610-K613 WeakPolarHBondContact OE2-CE 3.15Å; E610-K613 IonicContact OE2-NZ 2.78Å; E610-K613 PolarHBondContact OE2-NZ 3.27Å; E610-L614 PolarHBondContact O-N 2.66Å
611F94.8Very high92.6Very high0 Ų064.7 Ų64.70%032%0.32CS..Hα-helixtrans-58.2-46170.9-168-79.3000111.2L578 A581 A582 V585 F607 K613 L614 F615 P619 Y622L578-F611 HydrophobicContact CD2-CB 4.14Å; L578-F611 HydrophobicContact CD2-CD2 4.38Å; A581-F611 HydrophobicContact CB-CD2 4.33Å; A581-F611 HydrophobicContact CB-CE2 4.28Å; A582-F611 HydrophobicContact CB-CE2 3.89Å; A582-F611 HydrophobicContact CB-CZ 4Å; V585-F611 HydrophobicContact CG2-CE2 4.48Å; F607-F611 HydrophobicContact CE2-CB 4.22Å; F607-F611 AromaticContact CE2-CD2 3.74Å; F607-F611 HydrophobicContact CE2-CD2 3.74Å; F607-F611 HydrophobicContact CE2-CG 4.39Å; F607-F611 HydrophobicContact CZ-CB 4.45Å; F607-F611 AromaticContact CZ-CD2 3.77Å; F607-F611 HydrophobicContact CZ-CD2 3.77Å; F607-F611 HydrophobicContact CZ-CE2 4.4Å; F607-F611 HydrophobicContact CZ-CG 4.35Å; F607-F611 VanDerWaalsContact O-CB 3.25Å; F607-F611 WeakPolarHBondContact O-CB 3.5Å; F607-F611 PolarHBondContact O-N 2.87Å; F611-K613 VanDerWaalsContact C-N 3.33Å; F611-K613 PolarHBondContact O-N 3.13Å; F611-L614 PolarHBondContact O-N 2.96Å; F611-F615 HydrophobicContact CD1-CB 4.18Å; F611-F615 AromaticContact CD1-CD2 3.78Å; F611-F615 HydrophobicContact CD1-CD2 3.78Å; F611-F615 HydrophobicContact CD1-CG 4.36Å; F611-F615 AromaticContact CD2-CD2 3.85Å; F611-F615 HydrophobicContact CD2-CD2 3.85Å; F611-F615 HydrophobicContact CD2-CE2 4Å; F611-F615 HydrophobicContact CE1-CB 3.84Å; F611-F615 AromaticContact CE1-CD2 3.6Å; F611-F615 HydrophobicContact CE1-CD2 3.6Å; F611-F615 HydrophobicContact CE1-CE2 4.44Å; F611-F615 AromaticContact CE1-CG 3.91Å; F611-F615 HydrophobicContact CE1-CG 3.91Å; F611-F615 AromaticContact CE2-CD2 3.69Å; F611-F615 HydrophobicContact CE2-CD2 3.69Å; F611-F615 AromaticContact CE2-CE2 3.73Å; F611-F615 HydrophobicContact CE2-CE2 3.73Å; F611-F615 AromaticContact CG-CD2 3.89Å; F611-F615 HydrophobicContact CG-CD2 3.89Å; F611-F615 HydrophobicContact CG-CE2 4.48Å; F611-F615 HydrophobicContact CZ-CB 4.45Å; F611-F615 AromaticContact CZ-CD2 3.56Å; F611-F615 HydrophobicContact CZ-CD2 3.56Å; F611-F615 AromaticContact CZ-CE2 3.97Å; F611-F615 HydrophobicContact CZ-CE2 3.97Å; F611-F615 HydrophobicContact CZ-CG 4.05Å; F611-F615 WeakPolarHBondContact O-CD2 3.39Å; F611-F615 PolarHBondContact O-N 3.43Å; F611-P619 HydrophobicContact CB-CG 3.83Å; F611-P619 HydrophobicContact CD1-CB 4.26Å; F611-P619 HydrophobicContact CD1-CG 3.71Å; F611-P619 HydrophobicContact CD2-CG 4.25Å; F611-P619 HydrophobicContact CE1-CB 4.42Å; F611-P619 HydrophobicContact CE1-CG 4.35Å; F611-P619 HydrophobicContact CG-CB 4.43Å; F611-P619 HydrophobicContact CG-CG 3.66Å; F611-Y622 HydrophobicContact CE1-CD1 4.32Å; F611-Y622 HydrophobicContact CE1-CD2 4.03Å; F611-Y622 AromaticContact CE1-CG 3.79Å; F611-Y622 HydrophobicContact CE1-CG 3.79Å; F611-Y622 AromaticContact CZ-CD1 3.84Å; F611-Y622 HydrophobicContact CZ-CD1 3.84Å; F611-Y622 HydrophobicContact CZ-CD2 4.18Å; F611-Y622 HydrophobicContact CZ-CE1 4.25Å; F611-Y622 AromaticContact CZ-CG 3.78Å; F611-Y622 HydrophobicContact CZ-CG 3.78Å
612K94.2Very high92.7Very high114 Ų11463.9 Ų63.950%0.49632%0.316SS..Hα-helixtrans-64.1-35.3177.7-175.9172.7-179.7174.60113.2S608 R609 E610 L614 G616 C617S608-K612 VanDerWaalsContact O-CB 3.32Å; S608-K612 WeakPolarHBondContact O-CB 3.47Å; S608-K612 PolarHBondContact O-N 2.82Å; R609-K612 PolarHBondContact O-N 3.2Å; E610-K612 VanDerWaalsContact C-N 3.33Å; E610-K612 PolarHBondContact O-N 2.78Å; K612-L614 VanDerWaalsContact C-N 3.31Å; K612-L614 PolarHBondContact O-N 3.28Å; K612-G616 WeakPolarHBondContact O-CA 3.15Å; K612-G616 PolarHBondContact O-N 2.91Å; K612-C617 VanDerWaalsContact CA-O 3.23Å; K612-C617 WeakPolarHBondContact CA-O 3.35Å
613K92Very high93Very high141 Ų14160 Ų6061%0.61329%0.291SS*.Hα-helixtrans-63.5-38.2174.3-71.6177.6-168.11650112.2R609 E610 F611R609-K613 WeakPolarHBondContact O-CG 3.46Å; R609-K613 PolarHBondContact O-N 3.17Å; R609-K613 VanDerWaalsContact O-N 3.1Å; E610-K613 PolarHBondContact O-N 3.3Å; E610-K613 WeakPolarHBondContact OE2-CD 3.34Å; E610-K613 WeakPolarHBondContact OE2-CE 3.15Å; E610-K613 IonicContact OE2-NZ 2.78Å; E610-K613 PolarHBondContact OE2-NZ 3.27Å; F611-K613 VanDerWaalsContact C-N 3.33Å; F611-K613 PolarHBondContact O-N 3.13Å
614L90.2Very high93.1Very high42 Ų4264.9 Ų64.922%0.2231%0.309CS..Hα-helixtrans-83.8-40.9-176.6-171.862.2000113.1L578 E610 F611 K612 N632L578-L614 HydrophobicContact CB-CD2 3.79Å; L578-L614 HydrophobicContact CD1-CB 4.41Å; L578-L614 HydrophobicContact CD1-CD2 3.92Å; E610-L614 PolarHBondContact O-N 2.66Å; F611-L614 PolarHBondContact O-N 2.96Å; K612-L614 VanDerWaalsContact C-N 3.31Å; K612-L614 PolarHBondContact O-N 3.28Å; L614-N632 HydrophobicContact CG-CB 4.4Å; L614-N632 VanDerWaalsContact O-CB 3.26Å; L614-N632 WeakPolarHBondContact O-CB 3.25Å; L614-N632 PolarHBondContact O-ND2 2.82Å
615F90.6Very high92.9Very high3 Ų364 Ų641%0.01330%0.303CS..Hα-helixtrans-104.9-0.6-174.6-64.9-78.4000114.3L578 A582 F611 C617 Y622 N632 I633L578-F615 HydrophobicContact CB-CE2 4.35Å; A582-F615 HydrophobicContact CB-CE1 3.93Å; A582-F615 HydrophobicContact CB-CE2 3.89Å; A582-F615 HydrophobicContact CB-CZ 3.48Å; A582-F615 VanDerWaalsContact CB-CZ 3.48Å; F611-F615 HydrophobicContact CD1-CB 4.18Å; F611-F615 AromaticContact CD1-CD2 3.78Å; F611-F615 HydrophobicContact CD1-CD2 3.78Å; F611-F615 HydrophobicContact CD1-CG 4.36Å; F611-F615 AromaticContact CD2-CD2 3.85Å; F611-F615 HydrophobicContact CD2-CD2 3.85Å; F611-F615 HydrophobicContact CD2-CE2 4Å; F611-F615 HydrophobicContact CE1-CB 3.84Å; F611-F615 AromaticContact CE1-CD2 3.6Å; F611-F615 HydrophobicContact CE1-CD2 3.6Å; F611-F615 HydrophobicContact CE1-CE2 4.44Å; F611-F615 AromaticContact CE1-CG 3.91Å; F611-F615 HydrophobicContact CE1-CG 3.91Å; F611-F615 AromaticContact CE2-CD2 3.69Å; F611-F615 HydrophobicContact CE2-CD2 3.69Å; F611-F615 AromaticContact CE2-CE2 3.73Å; F611-F615 HydrophobicContact CE2-CE2 3.73Å; F611-F615 AromaticContact CG-CD2 3.89Å; F611-F615 HydrophobicContact CG-CD2 3.89Å; F611-F615 HydrophobicContact CG-CE2 4.48Å; F611-F615 HydrophobicContact CZ-CB 4.45Å; F611-F615 AromaticContact CZ-CD2 3.56Å; F611-F615 HydrophobicContact CZ-CD2 3.56Å; F611-F615 AromaticContact CZ-CE2 3.97Å; F611-F615 HydrophobicContact CZ-CE2 3.97Å; F611-F615 HydrophobicContact CZ-CG 4.05Å; F611-F615 WeakPolarHBondContact O-CD2 3.39Å; F611-F615 PolarHBondContact O-N 3.43Å; F615-C617 PolarHBondContact O-N 3.39Å; F615-C617 VanDerWaalsContact O-N 3.12Å; F615-Y622 HydrophobicContact CB-CD2 4.22Å; F615-Y622 HydrophobicContact CB-CE2 4.26Å; F615-Y622 AromaticContact CD1-CE2 3.82Å; F615-Y622 HydrophobicContact CD1-CE2 3.82Å; F615-Y622 HydrophobicContact CG-CE2 4.19Å; F615-N632 HydrophobicContact CD1-CB 3.99Å; F615-N632 HydrophobicContact CE1-CB 4.12Å; F615-I633 HydrophobicContact CE1-CG1 4.19Å
616G90.1Very high92.7Very high58 Ų5862.1 Ų62.160%0.59830%0.297SS*.SBendtrans75.3-9.8177.700000115.8K612K612-G616 WeakPolarHBondContact O-CA 3.15Å; K612-G616 PolarHBondContact O-N 2.91Å
617C92.3Very high92.6Very high6 Ų663 Ų634%0.04130%0.297CS..SBendtrans-137.5166.6177.966.20000112.3K612 F615 E621 R625K612-C617 VanDerWaalsContact CA-O 3.23Å; K612-C617 WeakPolarHBondContact CA-O 3.35Å; F615-C617 PolarHBondContact O-N 3.39Å; F615-C617 VanDerWaalsContact O-N 3.12Å; C617-E621 HydrophobicContact CB-CB 4.1Å; C617-E621 WeakPolarHBondContact CB-OE2 3.41Å; C617-R625 PolarHBondContact SG-NH2 2.97Å; C617-R625 VanDerWaalsContact SG-NH2 3.36Å
618S94.5Very high92.3Very high32 Ų3263.7 Ų63.722%0.22430%0.3CS..  trans-67.9153.5175.5680000111.5R620 E621 Y622S618-R620 PolarHBondContact O-N 2.99Å; S618-R620 VanDerWaalsContact O-N 3.14Å; S618-E621 PolarHBondContact N-OE2 2.79Å; S618-E621 PolarHBondContact O-N 2.97Å; S618-E621 VanDerWaalsContact O-N 3.1Å; S618-E621 WeakPolarHBondContact OG-CB 3.26Å; S618-E621 VanDerWaalsContact OG-CG 3.23Å; S618-E621 WeakPolarHBondContact OG-CG 3.15Å; S618-E621 PolarHBondContact OG-N 2.87Å; S618-E621 PolarHBondContact OG-OE2 3.11Å; S618-Y622 WeakPolarHBondContact O-CB 3.49Å; S618-Y622 PolarHBondContact O-N 3.24Å
619P95.4Very high91.8Very high2 Ų262.7 Ų62.71%0.01329%0.292CS..Hα-helixtrans-52.7-35.7174.4-2732.5000113.9V585 M592 F607 F611 Y622 R623V585-P619 WeakPolarHBondContact CG1-O 3.46Å; V585-P619 HydrophobicContact CG2-CB 4.23Å; M592-P619 HydrophobicContact CE-CB 4.4Å; M592-P619 HydrophobicContact CG-CB 4.43Å; M592-P619 HydrophobicContact SD-CB 3.43Å; M592-P619 WeakPolarHBondContact SD-CB 3.21Å; F607-P619 HydrophobicContact CD1-CG 4.27Å; F607-P619 HydrophobicContact CE1-CB 3.97Å; F607-P619 HydrophobicContact CE1-CG 3.59Å; F607-P619 HydrophobicContact CZ-CB 4.27Å; F607-P619 HydrophobicContact CZ-CG 3.92Å; F611-P619 HydrophobicContact CB-CG 3.83Å; F611-P619 HydrophobicContact CD1-CB 4.26Å; F611-P619 HydrophobicContact CD1-CG 3.71Å; F611-P619 HydrophobicContact CD2-CG 4.25Å; F611-P619 HydrophobicContact CE1-CB 4.42Å; F611-P619 HydrophobicContact CE1-CG 4.35Å; F611-P619 HydrophobicContact CG-CB 4.43Å; F611-P619 HydrophobicContact CG-CG 3.66Å; P619-Y622 PolarHBondContact O-N 3.24Å; P619-R623 PolarHBondContact O-N 3.14Å
620R93.3Very high91.3Very high185 Ų18555.5 Ų55.570%0.69827%0.265SS*.Hα-helixtrans-68.9-44.1178.4-172.1178.6-177.7178.61112S618 Y622 R623 H624S618-R620 PolarHBondContact O-N 2.99Å; S618-R620 VanDerWaalsContact O-N 3.14Å; R620-Y622 VanDerWaalsContact C-N 3.33Å; R620-R623 PolarHBondContact O-N 3.02Å; R620-H624 PolarHBondContact O-CD2 3.17Å
621E93.2Very high90.8Very high109 Ų10954.9 Ų54.951%0.50927%0.269SS..Hα-helixtrans-62.7-43.7173.2-71.5159.5167.100110.4C617 S618 R623 H624 R625C617-E621 HydrophobicContact CB-CB 4.1Å; C617-E621 WeakPolarHBondContact CB-OE2 3.41Å; S618-E621 PolarHBondContact N-OE2 2.79Å; S618-E621 PolarHBondContact O-N 2.97Å; S618-E621 VanDerWaalsContact O-N 3.1Å; S618-E621 WeakPolarHBondContact OG-CB 3.26Å; S618-E621 VanDerWaalsContact OG-CG 3.23Å; S618-E621 WeakPolarHBondContact OG-CG 3.15Å; S618-E621 PolarHBondContact OG-N 2.87Å; S618-E621 PolarHBondContact OG-OE2 3.11Å; E621-R623 VanDerWaalsContact C-N 3.3Å; E621-R623 PolarHBondContact O-N 3.49Å; E621-H624 PolarHBondContact O-N 3.01Å; E621-H624 VanDerWaalsContact O-N 3.12Å; E621-R625 PolarHBondContact O-N 3.2Å
622Y93.6Very high90.1Very high2 Ų258.3 Ų58.31%0.00829%0.287CS..Hα-helixtrans-57.6-39.5178.3-167.2-91.4000112.8A582 V585 F611 F615 S618 P619 R620 H624 W628 D629A582-Y622 HydrophobicContact CB-CE1 3.88Å; V585-Y622 HydrophobicContact CG1-CD1 3.92Å; F611-Y622 HydrophobicContact CE1-CD1 4.32Å; F611-Y622 HydrophobicContact CE1-CD2 4.03Å; F611-Y622 AromaticContact CE1-CG 3.79Å; F611-Y622 HydrophobicContact CE1-CG 3.79Å; F611-Y622 AromaticContact CZ-CD1 3.84Å; F611-Y622 HydrophobicContact CZ-CD1 3.84Å; F611-Y622 HydrophobicContact CZ-CD2 4.18Å; F611-Y622 HydrophobicContact CZ-CE1 4.25Å; F611-Y622 AromaticContact CZ-CG 3.78Å; F611-Y622 HydrophobicContact CZ-CG 3.78Å; F615-Y622 HydrophobicContact CB-CD2 4.22Å; F615-Y622 HydrophobicContact CB-CE2 4.26Å; F615-Y622 AromaticContact CD1-CE2 3.82Å; F615-Y622 HydrophobicContact CD1-CE2 3.82Å; F615-Y622 HydrophobicContact CG-CE2 4.19Å; S618-Y622 WeakPolarHBondContact O-CB 3.49Å; S618-Y622 PolarHBondContact O-N 3.24Å; P619-Y622 PolarHBondContact O-N 3.24Å; R620-Y622 VanDerWaalsContact C-N 3.33Å; Y622-H624 VanDerWaalsContact C-N 3.31Å; Y622-H624 PolarHBondContact O-N 2.68Å; Y622-W628 AromaticContact CE1-CD1 3.78Å; Y622-W628 AromaticContact CE1-NE1 3.65Å; Y622-W628 AromaticContact CZ-CD1 3.6Å; Y622-W628 AromaticContact CZ-NE1 3.63Å; Y622-W628 PolarHBondContact OH-NE1 3.43Å; Y622-D629 HydrophobicContact CE2-CB 4.25Å; Y622-D629 PolarHBondContact OH-O 2.87Å
623R92.8Very high89.5Confident54 Ų5453.1 Ų53.120%0.20427%0.265CS..Hα-helixtrans-60-36.8175.8177171.5-74.1-178.5-1.8113.5V585 T588 K590 P619 R620 E621V585-R623 HydrophobicContact CG1-CB 3.84Å; V585-R623 PolarHBondContact O-NE 3.06Å; V585-R623 PolarHBondContact O-NH2 3.01Å; T588-R623 PolarHBondContact O-NH2 2.91Å; K590-R623 PolarHBondContact O-NH1 3.19Å; K590-R623 PolarHBondContact O-NH2 3.09Å; P619-R623 PolarHBondContact O-N 3.14Å; R620-R623 PolarHBondContact O-N 3.02Å; E621-R623 VanDerWaalsContact C-N 3.3Å; E621-R623 PolarHBondContact O-N 3.49Å
624H90.7Very high88.5Confident140 Ų14048.8 Ų48.865%0.64825%0.246SC*.Hα-helixtrans-104.34.2-169.4-64.1-61.5000114.4R620 E621 Y622R620-H624 PolarHBondContact O-CD2 3.17Å; E621-H624 PolarHBondContact O-N 3.01Å; E621-H624 VanDerWaalsContact O-N 3.12Å; Y622-H624 VanDerWaalsContact C-N 3.31Å; Y622-H624 PolarHBondContact O-N 2.68Å
625R90.4Very high87.5Confident55 Ų5547.5 Ų47.521%0.20824%0.24CC..  trans-60.7143.5172-76.4-177.9175.5-177.9-2.2110.5C617 E621 Y627 D629C617-R625 PolarHBondContact SG-NH2 2.97Å; C617-R625 VanDerWaalsContact SG-NH2 3.36Å; E621-R625 PolarHBondContact O-N 3.2Å; R625-Y627 WeakPolarHBondContact CB-O 3.18Å; R625-Y627 PolarHBondContact O-N 2.92Å; R625-D629 IonicContact NH1-OD2 3.19Å; R625-D629 PolarHBondContact NH1-OD2 2.84Å
626D88.4Confident86.5Confident101 Ų10147.6 Ų47.654%0.5424%0.241SC..SBendtrans-67.2-11.117259.4-36.3000113N770D626-N770 PolarHBondContact O-N 3.02Å; D626-N770 PolarHBondContact O-ND2 3.19Å
627Y89.6Confident85.3Confident41 Ų4146.9 Ų46.916%0.16122%0.222CC..EExtended strand (participates in β ladder)trans-134.2156.6171.766.5-82.7000111.7R625 D629 A767 R768R625-Y627 WeakPolarHBondContact CB-O 3.18Å; R625-Y627 PolarHBondContact O-N 2.92Å; Y627-D629 HydrophobicContact CD2-CB 4.19Å; Y627-D629 HydrophobicContact CE2-CB 3.85Å; Y627-A767 HydrophobicContact CD2-CB 3.64Å; Y627-A767 HydrophobicContact CE2-CB 4.43Å; Y627-A767 HydrophobicContact CG-CB 4.42Å; Y627-R768 CarbonylContact C-O 3.49Å; Y627-R768 VanDerWaalsContact CA-O 3.26Å; Y627-R768 WeakPolarHBondContact CA-O 3.35Å; Y627-R768 WeakPolarHBondContact CB-O 3.42Å
628W89.5Confident83.8Confident15 Ų1548.5 Ų48.56%0.05723%0.23CC..EExtended strand (participates in β ladder)trans-100.9106.8173.2-170.28.8000109.7I583 R586 L587 Y622 L630 Y757 A767 R768I583-W628 HydrophobicContact CG1-CZ2 4.15Å; R586-W628 HydrophobicContact CB-CD2 4.43Å; R586-W628 HydrophobicContact CB-CZ2 4.38Å; R586-W628 HydrophobicContact CG-CD2 3.84Å; R586-W628 HydrophobicContact CG-CE3 4.31Å; R586-W628 HydrophobicContact CG-CG 3.95Å; L587-W628 HydrophobicContact CD1-CH2 4.23Å; L587-W628 HydrophobicContact CD2-CZ3 4.35Å; L587-W628 HydrophobicContact CG-CH2 4.36Å; Y622-W628 AromaticContact CE1-CD1 3.78Å; Y622-W628 AromaticContact CE1-NE1 3.65Å; Y622-W628 AromaticContact CZ-CD1 3.6Å; Y622-W628 AromaticContact CZ-NE1 3.63Å; Y622-W628 PolarHBondContact OH-NE1 3.43Å; W628-L630 HydrophobicContact CD2-CD2 3.6Å; W628-L630 HydrophobicContact CD2-CG 4.33Å; W628-L630 HydrophobicContact CE3-CD2 4.16Å; W628-L630 HydrophobicContact CG-CD2 3.96Å; W628-L630 HydrophobicContact CG-CG 4.33Å; W628-L630 HydrophobicContact CH2-CD2 4.22Å; W628-L630 HydrophobicContact CZ2-CD2 3.67Å; W628-L630 HydrophobicContact CZ3-CD2 4.44Å; W628-L630 PolarHBondContact O-N 3.3Å; W628-Y757 HydrophobicContact CE3-CD1 4.27Å; W628-Y757 HydrophobicContact CE3-CE1 4.18Å; W628-Y757 HydrophobicContact CH2-CD1 4.48Å; W628-Y757 AromaticContact CZ3-CD1 3.79Å; W628-Y757 HydrophobicContact CZ3-CD1 3.79Å; W628-Y757 AromaticContact CZ3-CE1 3.87Å; W628-Y757 HydrophobicContact CZ3-CE1 3.87Å; W628-A767 WeakPolarHBondContact O-CA 3.48Å; W628-A767 VanDerWaalsContact O-CB 3.27Å; W628-A767 WeakPolarHBondContact O-CB 3.36Å; W628-R768 HydrophobicContact CB-CB 4.28Å; W628-R768 PolarHBondContact N-O 3.35Å; W628-R768 PolarHBondContact O-N 3.39Å; W628-R768 VanDerWaalsContact O-N 3.14Å
629D85.9Confident82Confident12 Ų1248.6 Ų48.66%0.06423%0.227CC..  trans-80.6106.5177.9-173.9-3.8000111.2Y622 R625 Y627 A631Y622-D629 HydrophobicContact CE2-CB 4.25Å; Y622-D629 PolarHBondContact OH-O 2.87Å; R625-D629 IonicContact NH1-OD2 3.19Å; R625-D629 PolarHBondContact NH1-OD2 2.84Å; Y627-D629 HydrophobicContact CD2-CB 4.19Å; Y627-D629 HydrophobicContact CE2-CB 3.85Å; D629-A631 WeakPolarHBondContact OD1-CB 3.48Å; D629-A631 PolarHBondContact OD1-N 2.84Å; D629-A631 VanDerWaalsContact OD1-N 3.09Å
630L83.7Confident80.3Confident0 Ų054.9 Ų54.90%025%0.251CS..  trans-99-3.2-178.5-56.8165.7000112.1W628 N632 I633 Y757 L761 P762W628-L630 HydrophobicContact CD2-CD2 3.6Å; W628-L630 HydrophobicContact CD2-CG 4.33Å; W628-L630 HydrophobicContact CE3-CD2 4.16Å; W628-L630 HydrophobicContact CG-CD2 3.96Å; W628-L630 HydrophobicContact CG-CG 4.33Å; W628-L630 HydrophobicContact CH2-CD2 4.22Å; W628-L630 HydrophobicContact CZ2-CD2 3.67Å; W628-L630 HydrophobicContact CZ3-CD2 4.44Å; W628-L630 PolarHBondContact O-N 3.3Å; L630-N632 PolarHBondContact O-N 3.02Å; L630-N632 VanDerWaalsContact O-N 3.1Å; L630-I633 HydrophobicContact CB-CD1 4.13Å; L630-I633 HydrophobicContact CD2-CD1 3.34Å; L630-I633 HydrophobicContact CD2-CG1 4.47Å; L630-I633 HydrophobicContact CG-CD1 4.35Å; L630-I633 WeakPolarHBondContact O-CB 3.46Å; L630-I633 PolarHBondContact O-N 2.75Å; L630-Y757 HydrophobicContact CD1-CD1 4.12Å; L630-L761 HydrophobicContact CD1-CB 4.08Å; L630-L761 HydrophobicContact CD1-CD1 3.87Å; L630-P762 HydrophobicContact CB-CG 3.88Å; L630-P762 WeakPolarHBondContact O-CB 3.49Å; L630-P762 WeakPolarHBondContact O-CG 3.46Å
631A80.7Confident78.4Confident40 Ų4053 Ų5333%0.33125%0.25SS..THydrogen-bonded Turntrans-59.9-31-168.500000113.7D629 V802D629-A631 WeakPolarHBondContact OD1-CB 3.48Å; D629-A631 PolarHBondContact OD1-N 2.84Å; D629-A631 VanDerWaalsContact OD1-N 3.09Å; A631-V802 HydrophobicContact CB-CG1 4.47Å
632N81.4Confident76.8Confident72 Ų7253.5 Ų53.539%0.38525%0.253SS..THydrogen-bonded Turntrans-95.25.2179.9-64.2-59.1000113.8L614 F615 L630 F634L614-N632 HydrophobicContact CG-CB 4.4Å; L614-N632 VanDerWaalsContact O-CB 3.26Å; L614-N632 WeakPolarHBondContact O-CB 3.25Å; L614-N632 PolarHBondContact O-ND2 2.82Å; F615-N632 HydrophobicContact CD1-CB 3.99Å; F615-N632 HydrophobicContact CE1-CB 4.12Å; L630-N632 PolarHBondContact O-N 3.02Å; L630-N632 VanDerWaalsContact O-N 3.1Å; N632-F634 PolarHBondContact O-N 2.85Å
633I80.8Confident75Confident6 Ų662.1 Ų62.13%0.03129%0.293CS..  trans-69.6118.3172.1-65.6-174.3000108.3C579 F615 L630 P635 L758C579-I633 HydrophobicContact CB-CG2 4.32Å; F615-I633 HydrophobicContact CE1-CG1 4.19Å; L630-I633 HydrophobicContact CB-CD1 4.13Å; L630-I633 HydrophobicContact CD2-CD1 3.34Å; L630-I633 HydrophobicContact CD2-CG1 4.47Å; L630-I633 HydrophobicContact CG-CD1 4.35Å; L630-I633 WeakPolarHBondContact O-CB 3.46Å; L630-I633 PolarHBondContact O-N 2.75Å; I633-P635 VanDerWaalsContact O-CD 3.22Å; I633-P635 WeakPolarHBondContact O-CD 3.4Å; I633-L758 HydrophobicContact CD1-CD2 4.38Å; I633-L758 HydrophobicContact CG2-CD2 4.28Å
634F71.3Confident73.7Confident49 Ų4968.5 Ų68.522%0.21532%0.322CS..  trans-86.2104.6175.6-168.1-91.7000108.5Y572 R576 C579 N632 R640Y572-F634 HydrophobicContact CD2-CE1 4.18Å; Y572-F634 HydrophobicContact CE2-CD1 4.42Å; Y572-F634 AromaticContact CE2-CE1 3.98Å; Y572-F634 HydrophobicContact CE2-CE1 3.98Å; R576-F634 PolarHBondContact NH1-O 2.92Å; C579-F634 PolarHBondContact SG-N 2.82Å; N632-F634 PolarHBondContact O-N 2.85Å; F634-R640 VanDerWaalsContact CE2-NH2 3.32Å
635P69.8Low73.2Confident15 Ų1563.1 Ų63.110%0.09730%0.299CS..  trans-61.6152.5-178.226.5-35.6000111.3I633 R640 I759I633-P635 VanDerWaalsContact O-CD 3.22Å; I633-P635 WeakPolarHBondContact O-CD 3.4Å; P635-R640 HydrophobicContact CB-CG 4.39Å; P635-R640 HydrophobicContact CG-CG 3.82Å; P635-I759 HydrophobicContact CB-CD1 4.25Å; P635-I759 HydrophobicContact CB-CG1 3.53Å; P635-I759 HydrophobicContact CG-CG1 4.22Å
636S68.4Low72.9Confident5 Ų568 Ų684%0.03532%0.324CS..  trans-64.4148.8174.670.30000109.4E534 L638 I639 R640E534-S636 WeakPolarHBondContact OE1-CB 3.36Å; S636-L638 PolarHBondContact O-N 2.95Å; S636-I639 PolarHBondContact O-N 3.3Å; S636-I639 VanDerWaalsContact O-N 3.17Å; S636-I639 WeakPolarHBondContact OG-CD1 3.25Å; S636-I639 WeakPolarHBondContact OG-CG1 3.41Å; S636-R640 PolarHBondContact O-N 3.16Å
637F65.9Low73Confident44 Ų4464.7 Ų64.719%0.19331%0.308CS..Hα-helixtrans-57.6-36.9-177.7-177.3-92.8000112.7L530 F564 M565 I639 R640L530-F637 HydrophobicContact CD1-CB 3.79Å; L530-F637 HydrophobicContact CD1-CD1 3.65Å; L530-F637 HydrophobicContact CD1-CG 3.92Å; L530-F637 HydrophobicContact CD2-CB 4.35Å; F564-F637 HydrophobicContact CD1-CE1 4.43Å; F564-F637 HydrophobicContact CD1-CE2 4.37Å; F564-F637 HydrophobicContact CD1-CZ 4.04Å; F564-F637 HydrophobicContact CE1-CD1 4.33Å; F564-F637 AromaticContact CE1-CE1 3.45Å; F564-F637 HydrophobicContact CE1-CE1 3.45Å; F564-F637 VanDerWaalsContact CE1-CE1 3.45Å; F564-F637 AromaticContact CE1-CE2 3.95Å; F564-F637 HydrophobicContact CE1-CE2 3.95Å; F564-F637 AromaticContact CE1-CZ 3.21Å; F564-F637 HydrophobicContact CE1-CZ 3.21Å; F564-F637 HydrophobicContact CZ-CE1 4.15Å; F564-F637 AromaticContact CZ-CZ 3.87Å; F564-F637 HydrophobicContact CZ-CZ 3.87Å; M565-F637 HydrophobicContact CE-CB 3.63Å; M565-F637 HydrophobicContact CE-CD2 3.57Å; M565-F637 HydrophobicContact CE-CG 3.84Å; M565-F637 HydrophobicContact SD-CB 3.96Å; M565-F637 HydrophobicContact SD-CD1 4.34Å; M565-F637 HydrophobicContact SD-CD2 3.3Å; M565-F637 WeakPolarHBondContact SD-CD2 3.39Å; M565-F637 HydrophobicContact SD-CE2 3.84Å; M565-F637 HydrophobicContact SD-CG 3.58Å; M565-F637 VanDerWaalsContact SD-CG 3.58Å; F637-I639 PolarHBondContact O-N 3.28Å; F637-R640 PolarHBondContact O-N 2.8Å
638L59.7Low73.2Confident40 Ų4068.5 Ų68.521%0.20932%0.323CS..Hα-helixtrans-57.3-39-179.9-60.1171.4000112.5Q527 L530 E531 S636Q527-L638 HydrophobicContact CB-CD2 4.28Å; Q527-L638 HydrophobicContact CG-CD2 3.26Å; L530-L638 HydrophobicContact CB-CD1 4.45Å; L530-L638 HydrophobicContact CB-CD2 4.26Å; L530-L638 HydrophobicContact CB-CG 4.23Å; E531-L638 HydrophobicContact CB-CD1 4.03Å; E531-L638 HydrophobicContact CG-CD1 3.56Å; S636-L638 PolarHBondContact O-N 2.95Å
639I58.2Low73.4Confident33 Ų3372.3 Ų72.317%0.16934%0.344CS..Hα-helixtrans-86.7-24.2-173.8-44.7163000110.6S636 F637 Q641 Q642 N755 I759S636-I639 PolarHBondContact O-N 3.3Å; S636-I639 VanDerWaalsContact O-N 3.17Å; S636-I639 WeakPolarHBondContact OG-CD1 3.25Å; S636-I639 WeakPolarHBondContact OG-CG1 3.41Å; F637-I639 PolarHBondContact O-N 3.28Å; I639-Q641 PolarHBondContact O-N 3.36Å; I639-Q641 VanDerWaalsContact O-N 3.13Å; I639-Q642 WeakPolarHBondContact O-CB 3.38Å; I639-Q642 PolarHBondContact O-N 2.83Å; I639-Q642 VanDerWaalsContact O-N 3.1Å; I639-N755 HydrophobicContact CG2-CB 4.29Å; I639-N755 VanDerWaalsContact CG2-CG 3.46Å; I639-N755 WeakPolarHBondContact CG2-ND2 3.33Å; I639-N755 WeakPolarHBondContact CG2-OD1 3.35Å; I639-I759 HydrophobicContact CB-CD1 3.55Å; I639-I759 HydrophobicContact CG2-CD1 3.02Å; I639-I759 HydrophobicContact CG2-CG1 4.37Å
640R59Low73.7Confident134 Ų13474.4 Ų74.451%0.50635%0.354SS..Hα-helixtrans-59.9-22.6175.4-84.6-169.3179175.82.7114.6F634 P635 S636 F637 Q642F634-R640 VanDerWaalsContact CE2-NH2 3.32Å; P635-R640 HydrophobicContact CB-CG 4.39Å; P635-R640 HydrophobicContact CG-CG 3.82Å; S636-R640 PolarHBondContact O-N 3.16Å; F637-R640 PolarHBondContact O-N 2.8Å; R640-Q642 VanDerWaalsContact C-N 3.25Å; R640-Q642 PolarHBondContact O-N 2.91Å
641Q53.6Low74.1Confident146 Ų14679.1 Ų79.168%0.68238%0.379SS*.THydrogen-bonded Turntrans-79.1-5.6178.6-66-156.2-400113.8I639I639-Q641 PolarHBondContact O-N 3.36Å; I639-Q641 VanDerWaalsContact O-N 3.13Å
642Q60.2Low74.6Confident120 Ų12077.9 Ų77.956%0.56137%0.367SS*.SBendtrans-74.4148.9178.8-67.6-173.9-2100112.1I639 R640 N755I639-Q642 WeakPolarHBondContact O-CB 3.38Å; I639-Q642 PolarHBondContact O-N 2.83Å; I639-Q642 VanDerWaalsContact O-N 3.1Å; R640-Q642 VanDerWaalsContact C-N 3.25Å; R640-Q642 PolarHBondContact O-N 2.91Å; Q642-N755 PolarHBondContact OE1-ND2 2.87Å
643Q54.6Low74.9Confident182 Ų18278.1 Ų78.185%0.8537%0.372SS*.PPolyproline II helixtrans-61.2135.8179.1-158.3170.711.600109.8T645Q643-T645 PolarHBondContact O-N 3.34Å
644K66.3Low75.4Confident188 Ų18884 Ų8482%0.81740%0.4SS*.PPolyproline II helixtrans-59.4124.6178.2-73.2-178178179.60109.9
645T79.2Confident76.3Confident28 Ų2883 Ų8317%0.17240%0.397CS..PPolyproline II helixtrans-75.3133.8173.6-45.10000109.2Q643 C647 F740 W752 E760 R764Q643-T645 PolarHBondContact O-N 3.34Å; T645-C647 PolarHBondContact O-N 3.47Å; T645-F740 HydrophobicContact CG2-CB 4.3Å; T645-F740 HydrophobicContact CG2-CD1 3.99Å; T645-W752 HydrophobicContact CG2-CZ2 3.97Å; T645-E760 VanDerWaalsContact CB-OE1 3.27Å; T645-E760 WeakPolarHBondContact CB-OE1 3.36Å; T645-E760 PolarHBondContact N-OE1 3.03Å; T645-E760 PolarHBondContact OG1-OE1 3.12Å; T645-R764 PolarHBondContact O-NH2 2.89Å
646E85.6Confident77.3Confident158 Ų15884.8 Ų84.874%0.73841%0.409SS*.PPolyproline II helixtrans-63136.5173.1-164.8179.5172.900109.8
647C90.2Very high78.5Confident30 Ų3084.5 Ų84.520%0.20341%0.407CS..EExtended strand (participates in β ladder)trans-128131.1-176.4-176.40000109.5T645 S739 F740T645-C647 PolarHBondContact O-N 3.47Å; C647-S739 WeakPolarHBondContact CA-O 3.49Å; C647-F740 HydrophobicContact CB-CD1 4.04Å; C647-F740 HydrophobicContact CB-CE1 3.48Å; C647-F740 VanDerWaalsContact CB-CE1 3.48Å; C647-F740 HydrophobicContact CB-CZ 3.99Å; C647-F740 VanDerWaalsContact SG-CE1 3.51Å; C647-F740 WeakPolarHBondContact SG-CZ 3.24Å
648R92.5Very high79.7Confident122 Ų12283.6 Ų83.646%0.4640%0.403SS..EExtended strand (participates in β ladder)trans-120.4128.6176.1-62.7-176.9-65-170.70.7110.1I650 S739 E794R648-I650 HydrophobicContact CB-CG2 4.29Å; R648-S739 PolarHBondContact N-O 2.95Å; R648-S739 PolarHBondContact O-N 3.3Å; R648-E794 IonicContact CZ-OE1 3.87Å; R648-E794 IonicContact NH2-OE1 3.98Å; R648-E794 PolarHBondContact NH2-OE1 2.78Å
649L93.6Very high81.2Confident95 Ų9581.7 Ų81.750%0.49739%0.393SS..EExtended strand (participates in β ladder)trans-86120.2170-67.5-179.6000109L736 Y737 A738 L766 V799L649-L736 HydrophobicContact CB-CD1 4.28Å; L649-Y737 WeakPolarHBondContact CA-O 3.45Å; L649-A738 HydrophobicContact CD2-CB 4.14Å; L649-L766 HydrophobicContact CD1-CD2 4.46Å; L649-L766 HydrophobicContact CD2-CD1 3.86Å; L649-L766 HydrophobicContact CD2-CD2 4.16Å; L649-V799 HydrophobicContact CD2-CG2 4.01Å
650I93.5Very high82.7Confident55 Ų5583.5 Ų83.528%0.28240%0.403SS..EExtended strand (participates in β ladder)trans-129.6148.5-178.366168.8000110.8R648 F652 Y737 F796R648-I650 HydrophobicContact CB-CG2 4.29Å; I650-F652 HydrophobicContact CD1-CD2 4.03Å; I650-F652 PolarHBondContact O-N 3.23Å; I650-Y737 PolarHBondContact N-O 3.36Å; I650-Y737 PolarHBondContact O-N 3.11Å; I650-F796 HydrophobicContact CD1-CD1 3.46Å; I650-F796 VanDerWaalsContact CD1-CD1 3.46Å; I650-F796 HydrophobicContact CD1-CE1 3.38Å; I650-F796 HydrophobicContact CG1-CD1 4.29Å
651N92.2Very high84.3Confident100 Ų10079.1 Ų79.154%0.53539%0.393SS..EExtended strand (participates in β ladder)trans-87.998.4168.1-163.14.2000107.4G735N651-G735 CarbonylContact C-O 3.49Å; N651-G735 VanDerWaalsContact CA-O 3.31Å; N651-G735 WeakPolarHBondContact CA-O 3.37Å; N651-G735 PolarHBondContact OD1-O 3.06Å
652F90.1Very high86.2Confident14 Ų1473.2 Ų73.26%0.06137%0.365CS..EExtended strand (participates in β ladder)trans-72.4127.7-176.6-161.5-88.7000109I650 T732 R734 G735 Y737 I774 F796I650-F652 HydrophobicContact CD1-CD2 4.03Å; I650-F652 PolarHBondContact O-N 3.23Å; F652-T732 HydrophobicContact CE1-CG2 4.15Å; F652-T732 WeakPolarHBondContact CE1-OG1 3.34Å; F652-R734 VanDerWaalsContact O-CA 3.32Å; F652-R734 WeakPolarHBondContact O-CA 3.41Å; F652-G735 PolarHBondContact N-O 3.15Å; F652-G735 PolarHBondContact O-N 2.87Å; F652-Y737 HydrophobicContact CB-CD2 3.37Å; F652-Y737 HydrophobicContact CB-CE2 3.81Å; F652-Y737 HydrophobicContact CB-CG 3.9Å; F652-Y737 HydrophobicContact CG-CD2 4.39Å; F652-I774 HydrophobicContact CD1-CD1 3.85Å; F652-I774 HydrophobicContact CE1-CD1 3.73Å; F652-I774 HydrophobicContact CG-CD1 4.38Å; F652-I774 HydrophobicContact CZ-CD1 4.15Å; F652-I774 HydrophobicContact CZ-CG2 4.34Å; F652-F796 HydrophobicContact CD2-CB 4.41Å; F652-F796 AromaticContact CD2-CD1 3.94Å; F652-F796 HydrophobicContact CD2-CD1 3.94Å; F652-F796 HydrophobicContact CD2-CD2 4.31Å; F652-F796 HydrophobicContact CD2-CE1 4.25Å; F652-F796 AromaticContact CD2-CG 3.96Å; F652-F796 HydrophobicContact CD2-CG 3.96Å; F652-F796 HydrophobicContact CE2-CD1 4.12Å; F652-F796 AromaticContact CE2-CD2 3.79Å; F652-F796 HydrophobicContact CE2-CD2 3.79Å; F652-F796 HydrophobicContact CE2-CE1 4.16Å; F652-F796 AromaticContact CE2-CE2 3.85Å; F652-F796 HydrophobicContact CE2-CE2 3.85Å; F652-F796 AromaticContact CE2-CG 3.91Å; F652-F796 HydrophobicContact CE2-CG 3.91Å; F652-F796 HydrophobicContact CE2-CZ 4.02Å
653P89.1Confident87.7Confident77 Ų7773.8 Ų73.850%0.537%0.366SS..PPolyproline II helixtrans-73.5159.8-18030.7-34.2000111.6T655 T732P653-T655 PolarHBondContact O-N 3.22Å; P653-T655 VanDerWaalsContact O-N 3.15Å; P653-T655 PolarHBondContact O-OG1 3.17Å; P653-T655 VanDerWaalsContact O-OG1 3.1Å; P653-T732 PolarHBondContact O-OG1 3.42Å
654E90.2Very high89.5Confident130 Ų13066.1 Ų66.161%0.60733%0.329SS*.PPolyproline II helixtrans-62.4119.5165.1-59.2-170.6161.300108.2T731 T732 R734E654-T731 HydrophobicContact CB-CG2 4.07Å; E654-T732 WeakPolarHBondContact CA-O 3.24Å; E654-R734 HydrophobicContact CG-CB 3.6Å
655T90.2Very high90.6Very high26 Ų2659.4 Ų59.416%0.1630%0.302CS..  trans-127.4116.5-175-530000107.7P653 V720 T732P653-T655 PolarHBondContact O-N 3.22Å; P653-T655 VanDerWaalsContact O-N 3.15Å; P653-T655 PolarHBondContact O-OG1 3.17Å; P653-T655 VanDerWaalsContact O-OG1 3.1Å; T655-V720 HydrophobicContact CG2-CG1 3.61Å; T655-T732 WeakPolarHBondContact CB-OG1 3.5Å; T655-T732 PolarHBondContact N-OG1 2.89Å; T655-T732 PolarHBondContact O-N 2.95Å; T655-T732 PolarHBondContact O-OG1 3.36Å
656P91.7Very high91Very high53 Ų5359.3 Ų59.334%0.34430%0.3SS..EExtended strand (participates in β ladder)trans-71.4130.2172.829.7-32.6000109.4F658 E729P656-F658 HydrophobicContact CB-CE2 4.16Å; P656-F658 HydrophobicContact CB-CZ 4.12Å; P656-F658 HydrophobicContact CG-CE2 4.45Å; P656-E729 HydrophobicContact CB-CG 4.28Å
657I92Very high91Very high0 Ų057.7 Ų57.70%029%0.293CS..EExtended strand (participates in β ladder)trans-119.9127175.6-60.8165.1000106.9Y696 V698 F716 V720 E729 W730 T732I657-Y696 HydrophobicContact CD1-CD1 4.15Å; I657-Y696 HydrophobicContact CD1-CG 4.04Å; I657-Y696 HydrophobicContact CG1-CG 4.39Å; I657-V698 HydrophobicContact CD1-CG2 3.41Å; I657-V698 VanDerWaalsContact CD1-CG2 3.41Å; I657-F716 HydrophobicContact CB-CE1 4.35Å; I657-F716 HydrophobicContact CG2-CD1 4.1Å; I657-F716 HydrophobicContact CG2-CE1 3.96Å; I657-F716 VanDerWaalsContact O-CE1 3.25Å; I657-F716 WeakPolarHBondContact O-CE1 3.4Å; I657-V720 HydrophobicContact CG1-CG1 4.47Å; I657-E729 CarbonylContact O-C 3.55Å; I657-E729 WeakPolarHBondContact O-CA 3.24Å; I657-W730 PolarHBondContact N-O 3.23Å; I657-W730 PolarHBondContact O-N 2.98Å; I657-T732 HydrophobicContact CD1-CG2 3.55Å; I657-T732 HydrophobicContact CG1-CG2 4.44Å
658F91.2Very high90.6Very high24 Ų2457 Ų5711%0.10529%0.288CS..EExtended strand (participates in β ladder)trans-103130.4179.6-57.3-82.9000108.9P656 G718 T719 E722 M726 K728 E729P656-F658 HydrophobicContact CB-CE2 4.16Å; P656-F658 HydrophobicContact CB-CZ 4.12Å; P656-F658 HydrophobicContact CG-CE2 4.45Å; F658-G718 CarbonylContact O-C 3.59Å; F658-G718 WeakPolarHBondContact O-CA 3.36Å; F658-T719 PolarHBondContact N-O 2.95Å; F658-T719 PolarHBondContact O-N 3.09Å; F658-E722 HydrophobicContact CD1-CG 4.28Å; F658-E722 HydrophobicContact CD2-CB 4.08Å; F658-E722 HydrophobicContact CE1-CB 4.49Å; F658-E722 HydrophobicContact CE1-CG 4.11Å; F658-E722 HydrophobicContact CE2-CB 3.9Å; F658-E722 HydrophobicContact CE2-CG 4.41Å; F658-E722 HydrophobicContact CG-CB 4.45Å; F658-E722 HydrophobicContact CZ-CB 4.12Å; F658-E722 HydrophobicContact CZ-CG 4.17Å; F658-M726 HydrophobicContact CB-CB 4.25Å; F658-M726 HydrophobicContact CB-CE 3.43Å; F658-M726 VanDerWaalsContact CB-CE 3.43Å; F658-M726 HydrophobicContact CB-CG 4.22Å; F658-M726 HydrophobicContact CB-SD 3.64Å; F658-M726 WeakPolarHBondContact O-CE 3.19Å; F658-K728 WeakPolarHBondContact CA-O 3.46Å; F658-E729 HydrophobicContact CD1-CB 3.98Å; F658-E729 HydrophobicContact CD1-CG 4.07Å; F658-E729 HydrophobicContact CE1-CB 3.94Å; F658-E729 HydrophobicContact CE1-CG 3.71Å; F658-E729 HydrophobicContact CZ-CG 4.31Å
659G91.5Very high89.7Confident0 Ų053 Ų530%028%0.278CS..EExtended strand (participates in β ladder)trans170.5-150-173.300000114.9F716 A717 K728G659-F716 VanDerWaalsContact C-CZ 3.44Å; G659-A717 WeakPolarHBondContact CA-O 3.25Å; G659-K728 PolarHBondContact N-O 2.97Å
660N90.6Very high88.4Confident72 Ų7250.8 Ų50.839%0.38527%0.267SS..EExtended strand (participates in β ladder)trans-132.3140.3-175-74.3-68.3000111.8A717 P727N660-A717 PolarHBondContact N-O 3.03Å; N660-A717 PolarHBondContact O-N 2.82Å; N660-P727 WeakPolarHBondContact OD1-CG 3.39Å
661S91.9Very high87Confident42 Ų4255.5 Ų55.529%0.29429%0.286SS..EExtended strand (participates in β ladder)trans-85.6139171.157.10000111.2T715S661-T715 CarbonylContact C-O 3.49Å; S661-T715 WeakPolarHBondContact CA-O 3.36Å
662F93Very high85.6Confident22 Ų2252 Ų5210%0.09627%0.269CS..EExtended strand (participates in β ladder)trans-132.6150.4162.564.1-79.5000109.7Y664 L679 H683 F697 T715 A717F662-Y664 AromaticContact CD2-CD1 3.8Å; F662-Y664 HydrophobicContact CD2-CD1 3.8Å; F662-Y664 HydrophobicContact CD2-CE1 4.12Å; F662-Y664 AromaticContact CE2-CD1 3.73Å; F662-Y664 HydrophobicContact CE2-CD1 3.73Å; F662-Y664 AromaticContact CE2-CE1 3.58Å; F662-Y664 HydrophobicContact CE2-CE1 3.58Å; F662-Y664 HydrophobicContact CZ-CE1 4.49Å; F662-L679 HydrophobicContact CD2-CD2 4.44Å; F662-L679 HydrophobicContact CE2-CD2 4.46Å; F662-H683 AromaticContact CD1-CE1 3.7Å; F662-H683 AromaticContact CD1-ND1 3.38Å; F662-H683 WeakPolarHBondContact CD1-ND1 3.19Å; F662-H683 HydrophobicContact CE1-CB 4.04Å; F662-H683 AromaticContact CE1-CG 3.89Å; F662-H683 AromaticContact CE1-ND1 3.66Å; F662-H683 AromaticContact CG-CE1 3.51Å; F662-H683 AromaticContact CG-ND1 3.69Å; F662-H683 HydrophobicContact CZ-CB 4.06Å; F662-H683 AromaticContact CZ-CG 4Å; F662-F697 HydrophobicContact CZ-CE2 4.27Å; F662-T715 WeakPolarHBondContact CD1-O 3.19Å; F662-T715 HydrophobicContact CE1-CG2 3.66Å; F662-T715 HydrophobicContact CZ-CG2 3.68Å; F662-T715 PolarHBondContact N-O 2.8Å; F662-T715 PolarHBondContact O-N 3.2Å; F662-A717 HydrophobicContact CD1-CB 4.41Å; F662-A717 HydrophobicContact CE1-CB 3.86Å
663K92.7Very high84.5Confident131 Ų13153.4 Ų53.457%0.5728%0.279SS*.EExtended strand (participates in β ladder)trans-125.1141.5-179.8-58.3-167.9-170.8-138.10109.8V713 E714K663-V713 WeakPolarHBondContact CA-O 3.24Å; K663-E714 HydrophobicContact CD-CB 4.27Å; K663-E714 HydrophobicContact CD-CG 4.36Å; K663-E714 WeakPolarHBondContact CE-OE1 3.32Å; K663-E714 VanDerWaalsContact CE-OE2 3.28Å; K663-E714 WeakPolarHBondContact CE-OE2 3.04Å; K663-E714 HydrophobicContact CG-CB 3.94Å; K663-E714 HydrophobicContact CG-CG 3.95Å; K663-E714 IonicContact NZ-OE1 3.76Å; K663-E714 PolarHBondContact NZ-OE1 2.94Å; K663-E714 VanDerWaalsContact NZ-OE1 3.17Å; K663-E714 IonicContact NZ-OE2 3.02Å; K663-E714 PolarHBondContact NZ-OE2 2.85Å
664Y92Very high83.9Confident22 Ų2255.4 Ų55.49%0.08629%0.286CS..EExtended strand (participates in β ladder)trans-147.7152.3174.960.1-81.8000109.7F662 I666 E676 L679 R680 V713F662-Y664 AromaticContact CD2-CD1 3.8Å; F662-Y664 HydrophobicContact CD2-CD1 3.8Å; F662-Y664 HydrophobicContact CD2-CE1 4.12Å; F662-Y664 AromaticContact CE2-CD1 3.73Å; F662-Y664 HydrophobicContact CE2-CD1 3.73Å; F662-Y664 AromaticContact CE2-CE1 3.58Å; F662-Y664 HydrophobicContact CE2-CE1 3.58Å; F662-Y664 HydrophobicContact CZ-CE1 4.49Å; Y664-I666 HydrophobicContact CD2-CG2 3.53Å; Y664-I666 HydrophobicContact CE2-CG2 3.53Å; Y664-E676 HydrophobicContact CE2-CB 4.3Å; Y664-E676 HydrophobicContact CE2-CG 3.73Å; Y664-E676 WeakPolarHBondContact CE2-OE1 3.26Å; Y664-E676 PolarHBondContact OH-OE1 2.91Å; Y664-L679 HydrophobicContact CD1-CD2 3.82Å; Y664-L679 HydrophobicContact CD2-CD2 4.28Å; Y664-L679 HydrophobicContact CG-CD2 3.66Å; Y664-R680 WeakPolarHBondContact OH-CD 3.44Å; Y664-R680 PolarHBondContact OH-NH1 2.74Å; Y664-V713 HydrophobicContact CD1-CB 4.41Å; Y664-V713 HydrophobicContact CD2-CB 4.44Å; Y664-V713 HydrophobicContact CE1-CB 3.92Å; Y664-V713 HydrophobicContact CE1-CG1 3.99Å; Y664-V713 HydrophobicContact CE2-CB 3.96Å; Y664-V713 HydrophobicContact CE2-CG2 4.08Å; Y664-V713 PolarHBondContact N-O 2.67Å; Y664-V713 PolarHBondContact O-N 3.39Å
665D89.2Confident83.4Confident47 Ų4755.3 Ų55.325%0.25129%0.285SS..EExtended strand (participates in β ladder)trans-103.3134.1177.1-63.8-65.7000108.9S704 K706 L710 L711 T712D665-S704 PolarHBondContact OD1-OG 2.86Å; D665-K706 VanDerWaalsContact OD2-CD 3.26Å; D665-K706 WeakPolarHBondContact OD2-CD 3.5Å; D665-K706 VanDerWaalsContact OD2-CE 3.25Å; D665-K706 WeakPolarHBondContact OD2-CE 3.32Å; D665-K706 IonicContact OD2-NZ 3.83Å; D665-K706 PolarHBondContact OD2-NZ 3Å; D665-L710 HydrophobicContact CB-CB 4.39Å; D665-L710 HydrophobicContact CB-CD1 4.1Å; D665-L711 WeakPolarHBondContact CA-O 3.38Å; D665-T712 WeakPolarHBondContact OD1-CB 3.31Å; D665-T712 PolarHBondContact OD1-OG1 2.95Å
666I88.3Confident83.1Confident26 Ų2655.1 Ų55.113%0.13328%0.283CS..EExtended strand (participates in β ladder)trans-122.5143.6175.563.5177.7000110.3Y664 E676 L710 L711 V713Y664-I666 HydrophobicContact CD2-CG2 3.53Å; Y664-I666 HydrophobicContact CE2-CG2 3.53Å; I666-E676 HydrophobicContact CG2-CB 4.18Å; I666-E676 HydrophobicContact CG2-CG 4.48Å; I666-L710 CarbonylContact O-C 3.22Å; I666-L710 WeakPolarHBondContact O-CA 3.46Å; I666-L711 HydrophobicContact CD1-CD2 4.24Å; I666-L711 HydrophobicContact CG1-CB 4.08Å; I666-L711 HydrophobicContact CG1-CD2 4.35Å; I666-L711 PolarHBondContact N-O 3.01Å; I666-L711 PolarHBondContact O-N 3.29Å; I666-V713 HydrophobicContact CD1-CG2 3.83Å; I666-V713 HydrophobicContact CG1-CG2 4.07Å
667E85.6Confident82.9Confident123 Ų12353.9 Ų53.958%0.57527%0.274SS*.EExtended strand (participates in β ladder)trans-73.4128.4167.3-171.8174.6-173.300108.6S669 L710E667-S669 PolarHBondContact O-N 3.23Å; E667-L710 HydrophobicContact CB-CD2 3.99Å
668V82.3Confident82.7Confident17 Ų1759.6 Ų59.610%0.10330%0.299CS..  trans-71.485.1175.5-178.50000107.3R580 I583 L584 L587 T588 L711R580-V668 PolarHBondContact NH1-O 2.85Å; R580-V668 PolarHBondContact NH2-O 3.14Å; I583-V668 HydrophobicContact CG2-CG1 3.94Å; L584-V668 HydrophobicContact CD2-CB 4.34Å; L584-V668 HydrophobicContact CD2-CG1 4.05Å; L587-V668 HydrophobicContact CB-CG2 4.13Å; L587-V668 HydrophobicContact CD1-CG1 4.34Å; T588-V668 HydrophobicContact CG2-CB 3.94Å; T588-V668 HydrophobicContact CG2-CG1 4.48Å; T588-V668 HydrophobicContact CG2-CG2 3.63Å; V668-L711 HydrophobicContact CG2-CB 3.64Å; V668-L711 HydrophobicContact CG2-CD2 4.47Å
669S74Confident82.6Confident37 Ų3761.3 Ų61.326%0.25931%0.309SS..  trans-110.3176.4-175.2110.40000111.9E667 K671 R754E667-S669 PolarHBondContact O-N 3.23Å; S669-K671 VanDerWaalsContact C-N 3.34Å; S669-K671 PolarHBondContact OG-N 2.98Å; S669-K671 PolarHBondContact OG-O 2.79Å; S669-R754 PolarHBondContact O-NH1 2.81Å
670N66Low82.7Confident49 Ų4962.2 Ų62.226%0.26231%0.312SS..SBendtrans-80.3-13.8172-84.6-16.6000114.1E534 R754E534-N670 PolarHBondContact O-ND2 2.88Å; N670-R754 PolarHBondContact O-NH1 2.93Å; N670-R754 PolarHBondContact OD1-NH2 2.84Å
671K64.4Low82.8Confident154 Ų15460.7 Ų60.767%0.6730%0.301SS*.SBendtrans-113.9144174.8-67.7-172.6176.2-173.70110.6S669 P673S669-K671 VanDerWaalsContact C-N 3.34Å; S669-K671 PolarHBondContact OG-N 2.98Å; S669-K671 PolarHBondContact OG-O 2.79Å; K671-P673 WeakPolarHBondContact O-CD 3.27Å
672S62.1Low82.7Confident27 Ų2764 Ų6419%0.18931%0.312CS..  trans-62.9123.6167.6-58.70000108.3D674 S750 D751S672-D674 PolarHBondContact O-N 3.35Å; S672-S750 WeakPolarHBondContact CB-OG 3.39Å; S672-S750 VanDerWaalsContact OG-CB 3.3Å; S672-S750 WeakPolarHBondContact OG-CB 3.27Å; S672-S750 PolarHBondContact OG-OG 3.14Å; S672-D751 PolarHBondContact OG-OD1 3.03Å
673P67.6Low82.7Confident42 Ų4264.1 Ų64.127%0.27331%0.313SS..  trans-65.1130.5178-18.330.5000110.3K671 E675 E676 V677K671-P673 WeakPolarHBondContact O-CD 3.27Å; P673-E675 PolarHBondContact O-N 3.48Å; P673-E676 HydrophobicContact CB-CB 4.46Å; P673-E676 WeakPolarHBondContact O-CB 3.48Å; P673-E676 PolarHBondContact O-N 2.88Å; P673-V677 PolarHBondContact O-N 3.37Å
674D75.3Confident82.7Confident119 Ų11957.9 Ų57.964%0.63629%0.285SS*.Hα-helixtrans-52.1-33.3178.7-70.6-11.8000112.5S672 V677 K678S672-D674 PolarHBondContact O-N 3.35Å; D674-V677 PolarHBondContact O-N 3.35Å; D674-K678 VanDerWaalsContact O-CG 3.25Å; D674-K678 WeakPolarHBondContact O-CG 3.21Å; D674-K678 PolarHBondContact O-N 3Å; D674-K678 VanDerWaalsContact O-N 3.09Å
675E80.3Confident82.7Confident128 Ų12858.3 Ų58.360%0.59829%0.293SS*.Hα-helixtrans-71.1-34.2-179.8-63-54.1120.900113.2P673 K678 L679P673-E675 PolarHBondContact O-N 3.48Å; E675-K678 IonicContact OE1-NZ 2.74Å; E675-K678 PolarHBondContact OE1-NZ 3.44Å; E675-L679 VanDerWaalsContact O-CB 3.24Å; E675-L679 WeakPolarHBondContact O-CB 3.44Å; E675-L679 PolarHBondContact O-N 3.08Å
676E83.4Confident82.8Confident23 Ų2360.9 Ų60.911%0.10730%0.3CS..Hα-helixtrans-65-47.6173169.3172.7-155.300110.5Y664 I666 P673 K678 L679 R680Y664-E676 HydrophobicContact CE2-CB 4.3Å; Y664-E676 HydrophobicContact CE2-CG 3.73Å; Y664-E676 WeakPolarHBondContact CE2-OE1 3.26Å; Y664-E676 PolarHBondContact OH-OE1 2.91Å; I666-E676 HydrophobicContact CG2-CB 4.18Å; I666-E676 HydrophobicContact CG2-CG 4.48Å; P673-E676 HydrophobicContact CB-CB 4.46Å; P673-E676 WeakPolarHBondContact O-CB 3.48Å; P673-E676 PolarHBondContact O-N 2.88Å; E676-K678 VanDerWaalsContact C-N 3.29Å; E676-K678 PolarHBondContact O-N 3.45Å; E676-L679 PolarHBondContact O-N 3.23Å; E676-R680 HydrophobicContact CG-CG 4.29Å; E676-R680 WeakPolarHBondContact O-CB 3.4Å; E676-R680 WeakPolarHBondContact O-CG 3.3Å; E676-R680 PolarHBondContact O-N 2.97Å
677V86.9Confident82.8Confident27 Ų2760.1 Ų60.116%0.16430%0.296CS..Hα-helixtrans-59.3-43.2-178.3177.90000110.3P673 D674 R681 W746P673-V677 PolarHBondContact O-N 3.37Å; D674-V677 PolarHBondContact O-N 3.35Å; V677-R681 WeakPolarHBondContact O-CB 2.91Å; V677-R681 PolarHBondContact O-N 3.36Å; V677-R681 VanDerWaalsContact O-N 3.17Å; V677-W746 PolarHBondContact O-NE1 3.28Å
678K88.3Confident83.1Confident119 Ų11954.4 Ų54.452%0.51727%0.269SS..Hα-helixtrans-67.1-46.3176.1-69.9170.5-163.6164.50112.6D674 E675 E676 R681 H682D674-K678 VanDerWaalsContact O-CG 3.25Å; D674-K678 WeakPolarHBondContact O-CG 3.21Å; D674-K678 PolarHBondContact O-N 3Å; D674-K678 VanDerWaalsContact O-N 3.09Å; E675-K678 IonicContact OE1-NZ 2.74Å; E675-K678 PolarHBondContact OE1-NZ 3.44Å; E676-K678 VanDerWaalsContact C-N 3.29Å; E676-K678 PolarHBondContact O-N 3.45Å; K678-R681 WeakPolarHBondContact O-CB 3.3Å; K678-R681 PolarHBondContact O-N 3.11Å; K678-H682 WeakPolarHBondContact O-CB 3.2Å; K678-H682 PolarHBondContact O-N 2.83Å
679L90.2Very high83.4Confident60 Ų6060.4 Ų60.431%0.31429%0.294SS..Hα-helixtrans-60.5-51-178.3179.368.2000111F662 Y664 E675 E676 R681 H682 H683F662-L679 HydrophobicContact CD2-CD2 4.44Å; F662-L679 HydrophobicContact CE2-CD2 4.46Å; Y664-L679 HydrophobicContact CD1-CD2 3.82Å; Y664-L679 HydrophobicContact CD2-CD2 4.28Å; Y664-L679 HydrophobicContact CG-CD2 3.66Å; E675-L679 VanDerWaalsContact O-CB 3.24Å; E675-L679 WeakPolarHBondContact O-CB 3.44Å; E675-L679 PolarHBondContact O-N 3.08Å; E676-L679 PolarHBondContact O-N 3.23Å; L679-R681 VanDerWaalsContact C-N 3.33Å; L679-R681 PolarHBondContact O-N 2.88Å; L679-H682 WeakPolarHBondContact O-CB 3.47Å; L679-H682 PolarHBondContact O-N 3.36Å; L679-H683 PolarHBondContact O-CD2 3.16Å; L679-H683 VanDerWaalsContact O-CD2 3.28Å; L679-H683 PolarHBondContact O-N 3.41Å
680R93Very high84Confident20 Ų2063.8 Ų63.88%0.07531%0.31CS..Hα-helixtrans-61.9-40.9179.3-69.7177.870.9109.6-2.4111.6Y664 E676 H682 H683 L684 F697 W746 E775Y664-R680 WeakPolarHBondContact OH-CD 3.44Å; Y664-R680 PolarHBondContact OH-NH1 2.74Å; E676-R680 HydrophobicContact CG-CG 4.29Å; E676-R680 WeakPolarHBondContact O-CB 3.4Å; E676-R680 WeakPolarHBondContact O-CG 3.3Å; E676-R680 PolarHBondContact O-N 2.97Å; R680-H682 PolarHBondContact O-N 2.98Å; R680-H683 PolarHBondContact O-N 3.42Å; R680-L684 WeakPolarHBondContact O-CB 3.45Å; R680-L684 PolarHBondContact O-N 2.8Å; R680-F697 HydrophobicContact CB-CE2 4.35Å; R680-W746 HydrophobicContact CB-CH2 4.07Å; R680-W746 HydrophobicContact CB-CZ2 3.73Å; R680-E775 IonicContact CZ-OE1 2.82Å; R680-E775 IonicContact CZ-OE2 2.94Å; R680-E775 IonicContact NH2-OE1 3.7Å; R680-E775 PolarHBondContact NH2-OE1 3.01Å; R680-E775 IonicContact NH2-OE2 3.3Å; R680-E775 PolarHBondContact NH2-OE2 3.34Å
681R92.1Very high85Confident39 Ų3963 Ų6315%0.14730%0.304CS..Hα-helixtrans-57.6-48.7174.8-166.4-174.6169.489.90.4111.3V677 K678 L679 H683 L684 A685 W746 F783 D787 G788 N789V677-R681 WeakPolarHBondContact O-CB 2.91Å; V677-R681 PolarHBondContact O-N 3.36Å; V677-R681 VanDerWaalsContact O-N 3.17Å; K678-R681 WeakPolarHBondContact O-CB 3.3Å; K678-R681 PolarHBondContact O-N 3.11Å; L679-R681 VanDerWaalsContact C-N 3.33Å; L679-R681 PolarHBondContact O-N 2.88Å; R681-H683 VanDerWaalsContact C-N 3.34Å; R681-H683 PolarHBondContact O-N 3.26Å; R681-L684 PolarHBondContact O-N 3.26Å; R681-A685 WeakPolarHBondContact O-CB 3.45Å; R681-A685 PolarHBondContact O-N 3.3Å; R681-W746 HydrophobicContact CB-CZ2 4.06Å; R681-W746 HydrophobicContact CG-CG 4.44Å; R681-F783 HydrophobicContact CG-CZ 3.99Å; R681-D787 IonicContact CZ-OD1 3.23Å; R681-D787 IonicContact NH2-OD1 2.8Å; R681-D787 PolarHBondContact NH2-OD1 2.92Å; R681-G788 PolarHBondContact NH2-O 2.99Å; R681-N789 PolarHBondContact NH1-OD1 3.42Å; R681-N789 PolarHBondContact NH2-OD1 2.93Å; R681-N789 VanDerWaalsContact NH2-OD1 3.11Å
682H91Very high86.1Confident113 Ų11362 Ų6252%0.52330%0.299SS..Hα-helixtrans-59.4-46.1-179.4178.878.1000111.5K678 L679 R680 R686K678-H682 WeakPolarHBondContact O-CB 3.2Å; K678-H682 PolarHBondContact O-N 2.83Å; L679-H682 WeakPolarHBondContact O-CB 3.47Å; L679-H682 PolarHBondContact O-N 3.36Å; R680-H682 PolarHBondContact O-N 2.98Å; H682-R686 VanDerWaalsContact O-CB 3.26Å; H682-R686 WeakPolarHBondContact O-CB 3.41Å; H682-R686 PolarHBondContact O-N 3.25Å
683H91.7Very high87.5Confident24 Ų2462.3 Ų62.311%0.11130%0.3CS..Hα-helixtrans-63.8-42.2176.8-83.7-101.1000112.3F662 L679 R680 R681 R686 C687 F697F662-H683 AromaticContact CD1-CE1 3.7Å; F662-H683 AromaticContact CD1-ND1 3.38Å; F662-H683 WeakPolarHBondContact CD1-ND1 3.19Å; F662-H683 HydrophobicContact CE1-CB 4.04Å; F662-H683 AromaticContact CE1-CG 3.89Å; F662-H683 AromaticContact CE1-ND1 3.66Å; F662-H683 AromaticContact CG-CE1 3.51Å; F662-H683 AromaticContact CG-ND1 3.69Å; F662-H683 HydrophobicContact CZ-CB 4.06Å; F662-H683 AromaticContact CZ-CG 4Å; L679-H683 PolarHBondContact O-CD2 3.16Å; L679-H683 VanDerWaalsContact O-CD2 3.28Å; L679-H683 PolarHBondContact O-N 3.41Å; R680-H683 PolarHBondContact O-N 3.42Å; R681-H683 VanDerWaalsContact C-N 3.34Å; R681-H683 PolarHBondContact O-N 3.26Å; H683-R686 PolarHBondContact CE1-NH2 3.21Å; H683-R686 VanDerWaalsContact CE1-NH2 3.3Å; H683-R686 PolarHBondContact ND1-NH2 3.12Å; H683-R686 VanDerWaalsContact ND1-NH2 3.16Å; H683-R686 PolarHBondContact O-N 2.8Å; H683-C687 WeakPolarHBondContact O-CB 3.43Å; H683-C687 PolarHBondContact O-N 3.06Å; H683-C687 PolarHBondContact O-SG 3.39Å; H683-C687 VanDerWaalsContact O-SG 3.39Å; H683-F697 HydrophobicContact CB-CZ 4.11Å
684L93.5Very high88.7Confident0 Ų061.7 Ų61.70%030%0.295CS..Hα-helixtrans-63.7-52.6179.7-178.959.9000111.4R680 R681 R686 C687 M688 I695 F697 W746 F777 F783 V791R680-L684 WeakPolarHBondContact O-CB 3.45Å; R680-L684 PolarHBondContact O-N 2.8Å; R681-L684 PolarHBondContact O-N 3.26Å; L684-R686 VanDerWaalsContact C-N 3.29Å; L684-R686 PolarHBondContact O-N 2.89Å; L684-C687 PolarHBondContact O-N 3.04Å; L684-M688 HydrophobicContact CD1-CE 3.89Å; L684-M688 HydrophobicContact CD1-CG 4.17Å; L684-M688 HydrophobicContact CD1-SD 4.18Å; L684-M688 HydrophobicContact CG-CE 4.26Å; L684-M688 HydrophobicContact CG-CG 4.47Å; L684-M688 HydrophobicContact CG-SD 4.1Å; L684-M688 WeakPolarHBondContact O-CB 3.45Å; L684-M688 WeakPolarHBondContact O-CG 3.19Å; L684-M688 PolarHBondContact O-N 3.04Å; L684-I695 HydrophobicContact CD1-CB 3.89Å; L684-I695 HydrophobicContact CD1-CG1 4.44Å; L684-I695 HydrophobicContact CD1-CG2 3.85Å; L684-F697 HydrophobicContact CB-CE1 4.42Å; L684-F697 HydrophobicContact CB-CE2 4.46Å; L684-F697 HydrophobicContact CB-CZ 3.8Å; L684-F697 HydrophobicContact CD1-CE1 4.13Å; L684-F697 HydrophobicContact CD1-CZ 4.25Å; L684-W746 HydrophobicContact CD2-CE3 4.27Å; L684-W746 HydrophobicContact CD2-CH2 4.16Å; L684-W746 HydrophobicContact CD2-CZ3 3.66Å; L684-F777 HydrophobicContact CD1-CB 3.76Å; L684-F777 HydrophobicContact CD1-CD1 4.46Å; L684-F777 HydrophobicContact CD1-CD2 3.66Å; L684-F777 HydrophobicContact CD1-CE2 4.38Å; L684-F777 HydrophobicContact CD1-CG 3.7Å; L684-F777 HydrophobicContact CD2-CB 4.35Å; L684-F777 HydrophobicContact CD2-CD1 3.72Å; L684-F777 HydrophobicContact CD2-CD2 4.19Å; L684-F777 HydrophobicContact CD2-CE1 4.02Å; L684-F777 HydrophobicContact CD2-CE2 4.44Å; L684-F777 HydrophobicContact CD2-CG 3.82Å; L684-F777 HydrophobicContact CD2-CZ 4.36Å; L684-F777 HydrophobicContact CG-CG 4.43Å; L684-F783 HydrophobicContact CD2-CE1 4.02Å; L684-F783 HydrophobicContact CD2-CZ 4.06Å; L684-F783 HydrophobicContact CG-CE1 4.11Å; L684-V791 HydrophobicContact CD2-CG1 4.43Å
685A91.8Very high89.7Confident30 Ų3056 Ų5625%0.24826%0.264CS..Hα-helixtrans-58.9-41.6179.200000111.5R681 K689 F783R681-A685 WeakPolarHBondContact O-CB 3.45Å; R681-A685 PolarHBondContact O-N 3.3Å; A685-K689 VanDerWaalsContact O-CB 3.24Å; A685-K689 WeakPolarHBondContact O-CB 3.44Å; A685-K689 PolarHBondContact O-N 3.08Å; A685-F783 HydrophobicContact CB-CE1 4.13Å
686R90.2Very high90.4Very high102 Ų10250.9 Ų50.939%0.38524%0.24SC..Hα-helixtrans-62.3-47.1176-174.5179.769-175.83.9112.1H682 H683 L684 N690H682-R686 VanDerWaalsContact O-CB 3.26Å; H682-R686 WeakPolarHBondContact O-CB 3.41Å; H682-R686 PolarHBondContact O-N 3.25Å; H683-R686 PolarHBondContact CE1-NH2 3.21Å; H683-R686 VanDerWaalsContact CE1-NH2 3.3Å; H683-R686 PolarHBondContact ND1-NH2 3.12Å; H683-R686 VanDerWaalsContact ND1-NH2 3.16Å; H683-R686 PolarHBondContact O-N 2.8Å; L684-R686 VanDerWaalsContact C-N 3.29Å; L684-R686 PolarHBondContact O-N 2.89Å; R686-N690 WeakPolarHBondContact O-CB 3.42Å; R686-N690 PolarHBondContact O-N 2.97Å; R686-N690 VanDerWaalsContact O-N 3.11Å; R686-N690 PolarHBondContact O-ND2 3.04Å; R686-N690 PolarHBondContact O-OD1 3.35Å
687C90.3Very high91Very high9 Ų949.8 Ų49.86%0.06124%0.235CC..Hα-helixtrans-64.5-47.2178-750000111.7H683 L684 K689 N690 F691 I695H683-C687 WeakPolarHBondContact O-CB 3.43Å; H683-C687 PolarHBondContact O-N 3.06Å; H683-C687 PolarHBondContact O-SG 3.39Å; H683-C687 VanDerWaalsContact O-SG 3.39Å; L684-C687 PolarHBondContact O-N 3.04Å; C687-K689 VanDerWaalsContact C-N 3.32Å; C687-K689 PolarHBondContact O-N 3.39Å; C687-N690 PolarHBondContact O-N 3.36Å; C687-F691 HydrophobicContact CB-CD2 4.15Å; C687-F691 HydrophobicContact CB-CE2 4.19Å; C687-F691 WeakPolarHBondContact O-CD2 3.44Å; C687-F691 PolarHBondContact O-N 3.37Å; C687-I695 HydrophobicContact CB-CD1 3.86Å; C687-I695 HydrophobicContact CB-CG1 3.99Å; C687-I695 HydrophobicContact CB-CG2 3.87Å
688M91.2Very high91.4Very high3 Ų348.7 Ų48.72%0.01523%0.228CC..Hα-helixtrans-60.8-40.9178.4-74.8-177.1159.600112.1L684 K692 I695 F777 Y778 Y779 F783 V784L684-M688 HydrophobicContact CD1-CE 3.89Å; L684-M688 HydrophobicContact CD1-CG 4.17Å; L684-M688 HydrophobicContact CD1-SD 4.18Å; L684-M688 HydrophobicContact CG-CE 4.26Å; L684-M688 HydrophobicContact CG-CG 4.47Å; L684-M688 HydrophobicContact CG-SD 4.1Å; L684-M688 WeakPolarHBondContact O-CB 3.45Å; L684-M688 WeakPolarHBondContact O-CG 3.19Å; L684-M688 PolarHBondContact O-N 3.04Å; M688-K692 VanDerWaalsContact O-CA 3.31Å; M688-K692 WeakPolarHBondContact O-CA 3.41Å; M688-K692 PolarHBondContact O-N 2.9Å; M688-I695 HydrophobicContact CB-CG1 4.22Å; M688-I695 HydrophobicContact CG-CB 4.32Å; M688-I695 HydrophobicContact CG-CG1 3.41Å; M688-I695 VanDerWaalsContact CG-CG1 3.41Å; M688-F777 HydrophobicContact CE-CB 3.5Å; M688-Y778 WeakPolarHBondContact CE-O 3.47Å; M688-Y779 HydrophobicContact CB-CD2 4.43Å; M688-F783 HydrophobicContact SD-CD1 3.83Å; M688-F783 HydrophobicContact SD-CE1 4.25Å; M688-V784 HydrophobicContact CB-CG2 3.48Å; M688-V784 VanDerWaalsContact CB-CG2 3.48Å; M688-V784 HydrophobicContact CG-CG2 4.39Å; M688-V784 HydrophobicContact SD-CG2 4.08Å
689K88.5Confident91.7Very high143 Ų14343 Ų4362%0.62220%0.203SC*.Hα-helixtrans-62.4-42.4175.9-173.4174-179.2173.20112.6A685 C687 V784A685-K689 VanDerWaalsContact O-CB 3.24Å; A685-K689 WeakPolarHBondContact O-CB 3.44Å; A685-K689 PolarHBondContact O-N 3.08Å; C687-K689 VanDerWaalsContact C-N 3.32Å; C687-K689 PolarHBondContact O-N 3.39Å; K689-V784 HydrophobicContact CB-CG1 3.67Å; K689-V784 HydrophobicContact CG-CG1 4.1Å
690N87.2Confident91.8Very high109 Ų10941.5 Ų41.558%0.58320%0.196SC*.Hα-helixtrans-75-42.8-175.7-71.5-6.8000112.3R686 C687R686-N690 WeakPolarHBondContact O-CB 3.42Å; R686-N690 PolarHBondContact O-N 2.97Å; R686-N690 VanDerWaalsContact O-N 3.11Å; R686-N690 PolarHBondContact O-ND2 3.04Å; R686-N690 PolarHBondContact O-OD1 3.35Å; C687-N690 PolarHBondContact O-N 3.36Å
691F86.1Confident91.7Very high32 Ų3243.6 Ų43.614%0.1421%0.206CC..Hα-helixtrans-95.1-24.9-172.9-56.2-59.8000113.4C687 T693 I695 T719 Y723 M726C687-F691 HydrophobicContact CB-CD2 4.15Å; C687-F691 HydrophobicContact CB-CE2 4.19Å; C687-F691 WeakPolarHBondContact O-CD2 3.44Å; C687-F691 PolarHBondContact O-N 3.37Å; F691-T693 HydrophobicContact CB-CG2 3.58Å; F691-T693 PolarHBondContact O-N 3.47Å; F691-I695 HydrophobicContact CB-CD1 4.21Å; F691-I695 HydrophobicContact CD2-CD1 3.74Å; F691-I695 HydrophobicContact CG-CD1 4.45Å; F691-T719 HydrophobicContact CB-CG2 4.14Å; F691-T719 HydrophobicContact CD1-CG2 4.17Å; F691-T719 HydrophobicContact CD2-CG2 4.22Å; F691-T719 HydrophobicContact CG-CG2 3.94Å; F691-Y723 HydrophobicContact CB-CE2 4.41Å; F691-Y723 AromaticContact CD1-CD2 3.92Å; F691-Y723 HydrophobicContact CD1-CD2 3.92Å; F691-Y723 AromaticContact CD1-CE2 3.76Å; F691-Y723 HydrophobicContact CD1-CE2 3.76Å; F691-Y723 HydrophobicContact CD1-CG 4.41Å; F691-Y723 HydrophobicContact CE1-CD2 4.23Å; F691-Y723 HydrophobicContact CE1-CE2 4.49Å; F691-Y723 HydrophobicContact CG-CE2 4.44Å; F691-Y723 PolarHBondContact O-OH 2.99Å; F691-M726 HydrophobicContact CD1-CE 4.15Å; F691-M726 HydrophobicContact CE1-CE 3.58Å; F691-M726 HydrophobicContact CE1-CG 4.48Å; F691-M726 HydrophobicContact CE1-SD 3.69Å; F691-M726 HydrophobicContact CZ-CE 3.9Å; F691-M726 HydrophobicContact CZ-SD 3.63Å
692K87.8Confident91.6Very high133 Ų13348 Ų4858%0.57823%0.229SC*.  trans51.340.9-175.3-57.7-167.8175.9-158.30113.6M688 Y779M688-K692 VanDerWaalsContact O-CA 3.31Å; M688-K692 WeakPolarHBondContact O-CA 3.41Å; M688-K692 PolarHBondContact O-N 2.9Å; K692-Y779 HydrophobicContact CB-CE2 4.26Å
693T91.5Very high91.6Very high34 Ų3445.5 Ų45.521%0.20922%0.222CC..SBendtrans-149.1173.8-179.3176.60000108.8F691 I695 T719F691-T693 HydrophobicContact CB-CG2 3.58Å; F691-T693 PolarHBondContact O-N 3.47Å; T693-I695 WeakPolarHBondContact O-CD1 3.46Å; T693-I695 PolarHBondContact O-N 2.91Å; T693-T719 HydrophobicContact CG2-CG2 3.93Å; T693-T719 WeakPolarHBondContact CG2-OG1 3.49Å
694D93.7Very high91.4Very high29 Ų2944.7 Ų44.716%0.15522%0.219CC..  trans-57.4135.8175.5-65.1-6.6000110.7Y696 T719 R776 F777 Y778 Y779D694-Y696 HydrophobicContact CB-CE2 4.33Å; D694-T719 WeakPolarHBondContact O-CB 3.31Å; D694-T719 PolarHBondContact O-OG1 3.49Å; D694-R776 HydrophobicContact CB-CG 4.37Å; D694-R776 IonicContact OD2-CZ 2.96Å; D694-R776 IonicContact OD2-NE 3.3Å; D694-R776 PolarHBondContact OD2-NE 2.94Å; D694-R776 IonicContact OD2-NH2 3.55Å; D694-R776 PolarHBondContact OD2-NH2 3.05Å; D694-F777 VanDerWaalsContact CA-O 3.31Å; D694-F777 WeakPolarHBondContact CA-O 3.49Å; D694-Y778 WeakPolarHBondContact OD1-CA 3.41Å; D694-Y779 PolarHBondContact OD1-N 2.89Å
695I94.8Very high91Very high0 Ų051.5 Ų51.50%026%0.261CS..EExtended strand (participates in β ladder)trans-109.2131.9-177.7-58.4-52.4000109.4L684 C687 M688 F691 T693 F697 G718 F777L684-I695 HydrophobicContact CD1-CB 3.89Å; L684-I695 HydrophobicContact CD1-CG1 4.44Å; L684-I695 HydrophobicContact CD1-CG2 3.85Å; C687-I695 HydrophobicContact CB-CD1 3.86Å; C687-I695 HydrophobicContact CB-CG1 3.99Å; C687-I695 HydrophobicContact CB-CG2 3.87Å; M688-I695 HydrophobicContact CB-CG1 4.22Å; M688-I695 HydrophobicContact CG-CB 4.32Å; M688-I695 HydrophobicContact CG-CG1 3.41Å; M688-I695 VanDerWaalsContact CG-CG1 3.41Å; F691-I695 HydrophobicContact CB-CD1 4.21Å; F691-I695 HydrophobicContact CD2-CD1 3.74Å; F691-I695 HydrophobicContact CG-CD1 4.45Å; T693-I695 WeakPolarHBondContact O-CD1 3.46Å; T693-I695 PolarHBondContact O-N 2.91Å; I695-F697 HydrophobicContact CG2-CD1 3.94Å; I695-F697 HydrophobicContact CG2-CE1 3.77Å; I695-G718 CarbonylContact C-O 3.54Å; I695-G718 WeakPolarHBondContact CA-O 3.45Å; I695-F777 PolarHBondContact N-O 2.8Å; I695-F777 PolarHBondContact O-N 2.82Å
696Y95.2Very high90.7Very high20 Ų2057.7 Ų57.78%0.07828%0.282CS..EExtended strand (participates in β ladder)trans-105.2126.3177.3-67.5-101.2000109.4I657 D694 A717 G718 V720 I774 E775 R776I657-Y696 HydrophobicContact CD1-CD1 4.15Å; I657-Y696 HydrophobicContact CD1-CG 4.04Å; I657-Y696 HydrophobicContact CG1-CG 4.39Å; D694-Y696 HydrophobicContact CB-CE2 4.33Å; Y696-A717 WeakPolarHBondContact O-CA 3.31Å; Y696-G718 PolarHBondContact N-O 3.24Å; Y696-G718 PolarHBondContact O-N 2.89Å; Y696-V720 HydrophobicContact CD2-CG1 4.16Å; Y696-V720 HydrophobicContact CE2-CG1 3.68Å; Y696-V720 HydrophobicContact CE2-CG2 4.46Å; Y696-I774 HydrophobicContact CD1-CG2 4.01Å; Y696-E775 CarbonylContact C-O 3.52Å; Y696-E775 VanDerWaalsContact CA-O 3.25Å; Y696-E775 WeakPolarHBondContact CA-O 3.45Å; Y696-R776 HydrophobicContact CD1-CB 4.05Å; Y696-R776 HydrophobicContact CD1-CG 4.33Å; Y696-R776 HydrophobicContact CE1-CB 3.78Å; Y696-R776 HydrophobicContact CE1-CG 3.77Å; Y696-R776 HydrophobicContact CE2-CG 4.23Å; Y696-R776 WeakPolarHBondContact OH-CD 3.05Å; Y696-R776 PolarHBondContact OH-NE 2.85Å
697F96.3Very high90.6Very high0 Ų054.8 Ų54.80%028%0.278CS..EExtended strand (participates in β ladder)trans-104.6118.8165.1-79.516.9000108.2F662 R680 H683 L684 I695 T715 F716 A717 I774 E775 F777F662-F697 HydrophobicContact CZ-CE2 4.27Å; R680-F697 HydrophobicContact CB-CE2 4.35Å; H683-F697 HydrophobicContact CB-CZ 4.11Å; L684-F697 HydrophobicContact CB-CE1 4.42Å; L684-F697 HydrophobicContact CB-CE2 4.46Å; L684-F697 HydrophobicContact CB-CZ 3.8Å; L684-F697 HydrophobicContact CD1-CE1 4.13Å; L684-F697 HydrophobicContact CD1-CZ 4.25Å; I695-F697 HydrophobicContact CG2-CD1 3.94Å; I695-F697 HydrophobicContact CG2-CE1 3.77Å; F697-T715 HydrophobicContact CB-CG2 3.77Å; F697-T715 HydrophobicContact CD1-CG2 4.46Å; F697-T715 HydrophobicContact CD2-CG2 3.83Å; F697-T715 HydrophobicContact CG-CG2 3.77Å; F697-F716 CarbonylContact C-O 3.58Å; F697-F716 WeakPolarHBondContact CA-O 3.46Å; F697-A717 HydrophobicContact CD1-CB 3.54Å; F697-A717 HydrophobicContact CE1-CB 3.34Å; F697-A717 HydrophobicContact CZ-CB 4.18Å; F697-I774 CarbonylContact O-C 3.6Å; F697-I774 WeakPolarHBondContact O-CA 3.49Å; F697-E775 HydrophobicContact CB-CB 4.17Å; F697-E775 PolarHBondContact N-O 2.87Å; F697-E775 PolarHBondContact O-N 2.85Å; F697-F777 HydrophobicContact CB-CE2 4.3Å; F697-F777 HydrophobicContact CD2-CE2 4.02Å; F697-F777 HydrophobicContact CG-CE2 4.07Å
698V95.6Very high90.4Very high3 Ų357.9 Ų57.92%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-107.5107.4174.8-176.40000107.7I657 T715 F716 T732 D773 I774I657-V698 HydrophobicContact CD1-CG2 3.41Å; I657-V698 VanDerWaalsContact CD1-CG2 3.41Å; V698-T715 CarbonylContact O-C 3.46Å; V698-T715 WeakPolarHBondContact O-CA 3.36Å; V698-F716 HydrophobicContact CB-CB 4.27Å; V698-F716 PolarHBondContact N-O 2.83Å; V698-F716 PolarHBondContact O-N 3.35Å; V698-T732 HydrophobicContact CG2-CG2 4.3Å; V698-D773 CarbonylContact C-O 3.58Å; V698-D773 VanDerWaalsContact CA-O 3.31Å; V698-D773 WeakPolarHBondContact CA-O 3.35Å; V698-I774 HydrophobicContact CG2-CG1 4.45Å; V698-I774 HydrophobicContact CG2-CG2 4.47Å
699S94.6Very high90Very high0 Ų060.5 Ų60.50%031%0.31CS..EExtended strand (participates in β ladder)trans-109.5133-172.4-58.40000112E714 T715 S772 D773S699-E714 CarbonylContact C-O 3.09Å; S699-E714 WeakPolarHBondContact CA-O 3.16Å; S699-T715 PolarHBondContact OG-OG1 2.78Å; S699-S772 CarbonylContact O-C 3.47Å; S699-S772 VanDerWaalsContact O-CA 3.28Å; S699-S772 WeakPolarHBondContact O-CA 3.31Å; S699-D773 PolarHBondContact N-O 2.77Å; S699-D773 PolarHBondContact O-N 3.41Å
700T92.6Very high90Very high28 Ų2855.8 Ų55.817%0.17229%0.291CS..EExtended strand (participates in β ladder)trans-117146.9170.151.70000110.5E714 S772T700-E714 PolarHBondContact N-O 2.89Å; T700-E714 PolarHBondContact O-N 2.93Å; T700-E714 PolarHBondContact OG1-O 3.49Å; T700-S772 WeakPolarHBondContact CG2-OG 3.24Å
701F90.8Very high90.2Very high65 Ų6551 Ų5129%0.28527%0.266SS..EExtended strand (participates in β ladder)trans-122.4121.9-173-50.8-81.3000110L711 V713 D773F701-L711 HydrophobicContact CB-CD1 4.05Å; F701-L711 HydrophobicContact CB-CD2 4.35Å; F701-L711 HydrophobicContact CD1-CD2 4Å; F701-V713 HydrophobicContact CD1-CG1 4.15Å; F701-V713 HydrophobicContact CD1-CG2 4Å; F701-V713 HydrophobicContact CE1-CG1 3.98Å; F701-V713 HydrophobicContact CE1-CG2 4.28Å; F701-D773 HydrophobicContact CE2-CB 4.19Å
702E90Very high90.5Very high132 Ų13250.8 Ų50.862%0.61727%0.267SS*.EExtended strand (participates in β ladder)trans-134.8145.3176.2-65.7-17216700111S704 L711 T712E702-S704 PolarHBondContact O-N 2.98Å; E702-L711 VanDerWaalsContact O-CD1 3.3Å; E702-L711 WeakPolarHBondContact O-CD1 3.24Å; E702-T712 PolarHBondContact N-O 2.91Å; E702-T712 PolarHBondContact O-N 2.94Å
703P89.4Confident90.7Very high60 Ų6044.5 Ų44.539%0.3924%0.24SC..EExtended strand (participates in β ladder)trans-54.7130.9170.2-24.334.5000110.9A589A589-P703 HydrophobicContact CB-CB 4Å
704S88.6Confident90.9Very high6 Ų645 Ų454%0.04224%0.24CC..  trans-67.4141.2-176.1-173.30000111.6D665 E702 K706 L710 T712D665-S704 PolarHBondContact OD1-OG 2.86Å; E702-S704 PolarHBondContact O-N 2.98Å; S704-K706 VanDerWaalsContact C-N 3.27Å; S704-K706 PolarHBondContact OG-N 3.08Å; S704-L710 WeakPolarHBondContact CB-O 3.28Å; S704-L710 PolarHBondContact N-O 3.23Å; S704-T712 VanDerWaalsContact CA-OG1 3.27Å; S704-T712 WeakPolarHBondContact CA-OG1 3.37Å; S704-T712 VanDerWaalsContact CB-OG1 3.32Å; S704-T712 WeakPolarHBondContact CB-OG1 2.99Å; S704-T712 PolarHBondContact OG-OG1 2.79Å
705T85.2Confident90.9Very high144 Ų14443.6 Ų43.688%0.88323%0.232SC*.SBendtrans-78.6-14.2171.460.70000112.4
706K85.4Confident90.9Very high159 Ų15943.8 Ų43.869%0.69123%0.233SC*.SBendtrans-82.6-35.6-176.5-63.2-174.2-169.2159.10112.8D665 S704D665-K706 VanDerWaalsContact OD2-CD 3.26Å; D665-K706 WeakPolarHBondContact OD2-CD 3.5Å; D665-K706 VanDerWaalsContact OD2-CE 3.25Å; D665-K706 WeakPolarHBondContact OD2-CE 3.32Å; D665-K706 IonicContact OD2-NZ 3.83Å; D665-K706 PolarHBondContact OD2-NZ 3Å; S704-K706 VanDerWaalsContact C-N 3.27Å; S704-K706 PolarHBondContact OG-N 3.08Å
707S87.5Confident90.8Very high42 Ų4242.9 Ų42.929%0.29423%0.23SC..  trans-153.4143.2177.9172.30000109.5D709 L710S707-D709 PolarHBondContact O-N 3.31Å; S707-D709 VanDerWaalsContact O-N 3.13Å; S707-D709 PolarHBondContact OG-N 3.08Å; S707-L710 PolarHBondContact O-N 3.17Å
708V86.4Confident90.7Very high73 Ų7342.9 Ų42.944%0.44223%0.23SC..THydrogen-bonded Turntrans-63.7-16.9177.6-66.20000113.3T588 A589 K590T588-V708 WeakPolarHBondContact CB-O 3.41Å; A589-V708 HydrophobicContact CB-CB 4.37Å; A589-V708 HydrophobicContact CB-CG1 4.25Å; A589-V708 PolarHBondContact N-O 2.92Å; K590-V708 PolarHBondContact N-O 3.18Å
709D83.4Confident90.5Very high58 Ų5842.8 Ų42.831%0.3123%0.229SC..THydrogen-bonded Turntrans-93.3-12.4-176.6-58.4-24.9000113.4K590 S707K590-D709 WeakPolarHBondContact CE-OD1 3.49Å; K590-D709 IonicContact NZ-OD1 3.27Å; K590-D709 PolarHBondContact NZ-OD1 3.33Å; K590-D709 IonicContact NZ-OD2 2.62Å; S707-D709 PolarHBondContact O-N 3.31Å; S707-D709 VanDerWaalsContact O-N 3.13Å; S707-D709 PolarHBondContact OG-N 3.08Å
710L88.2Confident90.3Very high44 Ų4445.5 Ų45.523%0.2325%0.246CC..EExtended strand (participates in β ladder)trans-100.6147.9-174-61.3178000111.3D665 I666 E667 S704 S707D665-L710 HydrophobicContact CB-CB 4.39Å; D665-L710 HydrophobicContact CB-CD1 4.1Å; I666-L710 CarbonylContact O-C 3.22Å; I666-L710 WeakPolarHBondContact O-CA 3.46Å; E667-L710 HydrophobicContact CB-CD2 3.99Å; S704-L710 WeakPolarHBondContact CB-O 3.28Å; S704-L710 PolarHBondContact N-O 3.23Å; S707-L710 PolarHBondContact O-N 3.17Å
711L90.5Very high89.8Confident9 Ų946.8 Ų46.85%0.04726%0.256CS..EExtended strand (participates in β ladder)trans-106.6125.3168177.872.8000108.1L587 D665 I666 V668 F701 E702 V713L587-L711 HydrophobicContact CB-CD1 4.18Å; L587-L711 HydrophobicContact CD1-CD2 4.42Å; L587-L711 HydrophobicContact CD2-CD1 4.33Å; L587-L711 VanDerWaalsContact O-CD1 3.27Å; L587-L711 WeakPolarHBondContact O-CD1 3.41Å; D665-L711 WeakPolarHBondContact CA-O 3.38Å; I666-L711 HydrophobicContact CD1-CD2 4.24Å; I666-L711 HydrophobicContact CG1-CB 4.08Å; I666-L711 HydrophobicContact CG1-CD2 4.35Å; I666-L711 PolarHBondContact N-O 3.01Å; I666-L711 PolarHBondContact O-N 3.29Å; V668-L711 HydrophobicContact CG2-CB 3.64Å; V668-L711 HydrophobicContact CG2-CD2 4.47Å; F701-L711 HydrophobicContact CB-CD1 4.05Å; F701-L711 HydrophobicContact CB-CD2 4.35Å; F701-L711 HydrophobicContact CD1-CD2 4Å; E702-L711 VanDerWaalsContact O-CD1 3.3Å; E702-L711 WeakPolarHBondContact O-CD1 3.24Å; L711-V713 HydrophobicContact CD2-CG2 4.33Å; L711-V713 HydrophobicContact CG-CG2 4.44Å
712T93.1Very high89Confident28 Ų2851 Ų5117%0.17228%0.276CS..EExtended strand (participates in β ladder)trans-84.3123.3169.8-59.40000108.7D665 E702 S704D665-T712 WeakPolarHBondContact OD1-CB 3.31Å; D665-T712 PolarHBondContact OD1-OG1 2.95Å; E702-T712 PolarHBondContact N-O 2.91Å; E702-T712 PolarHBondContact O-N 2.94Å; S704-T712 VanDerWaalsContact CA-OG1 3.27Å; S704-T712 WeakPolarHBondContact CA-OG1 3.37Å; S704-T712 VanDerWaalsContact CB-OG1 3.32Å; S704-T712 WeakPolarHBondContact CB-OG1 2.99Å; S704-T712 PolarHBondContact OG-OG1 2.79Å
713V92.6Very high88.1Confident0 Ų049.2 Ų49.20%026%0.264CS..EExtended strand (participates in β ladder)trans-104.4120.5171.1-170.20000108K663 Y664 I666 F701 L711K663-V713 WeakPolarHBondContact CA-O 3.24Å; Y664-V713 HydrophobicContact CD1-CB 4.41Å; Y664-V713 HydrophobicContact CD2-CB 4.44Å; Y664-V713 HydrophobicContact CE1-CB 3.92Å; Y664-V713 HydrophobicContact CE1-CG1 3.99Å; Y664-V713 HydrophobicContact CE2-CB 3.96Å; Y664-V713 HydrophobicContact CE2-CG2 4.08Å; Y664-V713 PolarHBondContact N-O 2.67Å; Y664-V713 PolarHBondContact O-N 3.39Å; I666-V713 HydrophobicContact CD1-CG2 3.83Å; I666-V713 HydrophobicContact CG1-CG2 4.07Å; F701-V713 HydrophobicContact CD1-CG1 4.15Å; F701-V713 HydrophobicContact CD1-CG2 4Å; F701-V713 HydrophobicContact CE1-CG1 3.98Å; F701-V713 HydrophobicContact CE1-CG2 4.28Å; L711-V713 HydrophobicContact CD2-CG2 4.33Å; L711-V713 HydrophobicContact CG-CG2 4.44Å
714E94.3Very high87Confident44 Ų4451.5 Ų51.521%0.20629%0.289CS..EExtended strand (participates in β ladder)trans-104.2117.8168.4173.7166.5-148.900108.4K663 S699 T700K663-E714 HydrophobicContact CD-CB 4.27Å; K663-E714 HydrophobicContact CD-CG 4.36Å; K663-E714 WeakPolarHBondContact CE-OE1 3.32Å; K663-E714 VanDerWaalsContact CE-OE2 3.28Å; K663-E714 WeakPolarHBondContact CE-OE2 3.04Å; K663-E714 HydrophobicContact CG-CB 3.94Å; K663-E714 HydrophobicContact CG-CG 3.95Å; K663-E714 IonicContact NZ-OE1 3.76Å; K663-E714 PolarHBondContact NZ-OE1 2.94Å; K663-E714 VanDerWaalsContact NZ-OE1 3.17Å; K663-E714 IonicContact NZ-OE2 3.02Å; K663-E714 PolarHBondContact NZ-OE2 2.85Å; S699-E714 CarbonylContact C-O 3.09Å; S699-E714 WeakPolarHBondContact CA-O 3.16Å; T700-E714 PolarHBondContact N-O 2.89Å; T700-E714 PolarHBondContact O-N 2.93Å; T700-E714 PolarHBondContact OG1-O 3.49Å
715T95Very high85.8Confident0 Ų059 Ų590%033%0.328CS..EExtended strand (participates in β ladder)trans-116.2123.6179.7-59.10000109.5S661 F662 F697 V698 S699S661-T715 CarbonylContact C-O 3.49Å; S661-T715 WeakPolarHBondContact CA-O 3.36Å; F662-T715 WeakPolarHBondContact CD1-O 3.19Å; F662-T715 HydrophobicContact CE1-CG2 3.66Å; F662-T715 HydrophobicContact CZ-CG2 3.68Å; F662-T715 PolarHBondContact N-O 2.8Å; F662-T715 PolarHBondContact O-N 3.2Å; F697-T715 HydrophobicContact CB-CG2 3.77Å; F697-T715 HydrophobicContact CD1-CG2 4.46Å; F697-T715 HydrophobicContact CD2-CG2 3.83Å; F697-T715 HydrophobicContact CG-CG2 3.77Å; V698-T715 CarbonylContact O-C 3.46Å; V698-T715 WeakPolarHBondContact O-CA 3.36Å; S699-T715 PolarHBondContact OG-OG1 2.78Å
716F94.6Very high84.9Confident4 Ų453.7 Ų53.72%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-91.8114.5167.1-167.4-89.4000109.2I657 G659 F697 V698 K728 W730I657-F716 HydrophobicContact CB-CE1 4.35Å; I657-F716 HydrophobicContact CG2-CD1 4.1Å; I657-F716 HydrophobicContact CG2-CE1 3.96Å; I657-F716 VanDerWaalsContact O-CE1 3.25Å; I657-F716 WeakPolarHBondContact O-CE1 3.4Å; G659-F716 VanDerWaalsContact C-CZ 3.44Å; F697-F716 CarbonylContact C-O 3.58Å; F697-F716 WeakPolarHBondContact CA-O 3.46Å; V698-F716 HydrophobicContact CB-CB 4.27Å; V698-F716 PolarHBondContact N-O 2.83Å; V698-F716 PolarHBondContact O-N 3.35Å; F716-K728 HydrophobicContact CE2-CB 3.83Å; F716-K728 HydrophobicContact CZ-CB 4.1Å; F716-K728 WeakPolarHBondContact CZ-O 3.16Å; F716-W730 HydrophobicContact CB-CD2 4.4Å; F716-W730 HydrophobicContact CB-CE3 4.31Å; F716-W730 HydrophobicContact CB-CG 4.49Å; F716-W730 HydrophobicContact CD1-CB 3.63Å; F716-W730 HydrophobicContact CD1-CG 4.38Å; F716-W730 HydrophobicContact CD2-CB 4.03Å; F716-W730 HydrophobicContact CD2-CE3 4.07Å; F716-W730 HydrophobicContact CE1-CB 3.69Å; F716-W730 HydrophobicContact CE2-CB 4.08Å; F716-W730 HydrophobicContact CG-CB 3.79Å; F716-W730 HydrophobicContact CG-CD2 4.43Å; F716-W730 HydrophobicContact CG-CE3 4.31Å; F716-W730 HydrophobicContact CG-CG 4.25Å; F716-W730 HydrophobicContact CZ-CB 3.91Å
717A93.7Very high84.2Confident2 Ų250 Ų502%0.01729%0.286CS..EExtended strand (participates in β ladder)trans-107.8122.7-179.600000110.9G659 N660 F662 Y696 F697G659-A717 WeakPolarHBondContact CA-O 3.25Å; N660-A717 PolarHBondContact N-O 3.03Å; N660-A717 PolarHBondContact O-N 2.82Å; F662-A717 HydrophobicContact CD1-CB 4.41Å; F662-A717 HydrophobicContact CE1-CB 3.86Å; Y696-A717 WeakPolarHBondContact O-CA 3.31Å; F697-A717 HydrophobicContact CD1-CB 3.54Å; F697-A717 HydrophobicContact CE1-CB 3.34Å; F697-A717 HydrophobicContact CZ-CB 4.18Å
718G92.8Very high84.1Confident0 Ų053.3 Ų53.30%030%0.295CS..EExtended strand (participates in β ladder)trans-168.5-165.4-173.300000114.6F658 I695 Y696F658-G718 CarbonylContact O-C 3.59Å; F658-G718 WeakPolarHBondContact O-CA 3.36Å; I695-G718 CarbonylContact C-O 3.54Å; I695-G718 WeakPolarHBondContact CA-O 3.45Å; Y696-G718 PolarHBondContact N-O 3.24Å; Y696-G718 PolarHBondContact O-N 2.89Å
719T92.4Very high84.2Confident0 Ų055.4 Ų55.40%030%0.3CS..EExtended strand (participates in β ladder)trans-139.7164.4175.4-171.80000110.8F658 F691 T693 D694 C721 Y723 M726F658-T719 PolarHBondContact N-O 2.95Å; F658-T719 PolarHBondContact O-N 3.09Å; F691-T719 HydrophobicContact CB-CG2 4.14Å; F691-T719 HydrophobicContact CD1-CG2 4.17Å; F691-T719 HydrophobicContact CD2-CG2 4.22Å; F691-T719 HydrophobicContact CG-CG2 3.94Å; T693-T719 HydrophobicContact CG2-CG2 3.93Å; T693-T719 WeakPolarHBondContact CG2-OG1 3.49Å; D694-T719 WeakPolarHBondContact O-CB 3.31Å; D694-T719 PolarHBondContact O-OG1 3.49Å; T719-C721 VanDerWaalsContact C-N 3.3Å; T719-C721 HydrophobicContact CG2-CB 4.31Å; T719-Y723 HydrophobicContact CG2-CD2 4.35Å; T719-Y723 HydrophobicContact CG2-CE2 3.78Å; T719-M726 HydrophobicContact CG2-CE 3.63Å
720V89.1Confident84.5Confident57 Ų5756.5 Ų56.535%0.34530%0.3SS..SBendtrans-77.9-16-179.1-64.70000113.1T655 I657 Y696T655-V720 HydrophobicContact CG2-CG1 3.61Å; I657-V720 HydrophobicContact CG1-CG1 4.47Å; Y696-V720 HydrophobicContact CD2-CG1 4.16Å; Y696-V720 HydrophobicContact CE2-CG1 3.68Å; Y696-V720 HydrophobicContact CE2-CG2 4.46Å
721C82.5Confident84.6Confident56 Ų5657.7 Ų57.738%0.37831%0.309SS..SBendtrans-80.7128.5175.8-62.70000110.2T719 Y723 M726T719-C721 VanDerWaalsContact C-N 3.3Å; T719-C721 HydrophobicContact CG2-CB 4.31Å; C721-Y723 HydrophobicContact CB-CD2 4.23Å; C721-Y723 HydrophobicContact CB-CE2 3.57Å; C721-Y723 VanDerWaalsContact O-CD2 3.24Å; C721-Y723 WeakPolarHBondContact O-CD2 3.45Å; C721-M726 WeakPolarHBondContact O-CE 3.48Å
722E75Confident84.6Confident154 Ų15457.4 Ų57.472%0.7231%0.308SS*.  trans-77.8125.6173.8-168.2179-174.800110F658F658-E722 HydrophobicContact CD1-CG 4.28Å; F658-E722 HydrophobicContact CD2-CB 4.08Å; F658-E722 HydrophobicContact CE1-CB 4.49Å; F658-E722 HydrophobicContact CE1-CG 4.11Å; F658-E722 HydrophobicContact CE2-CB 3.9Å; F658-E722 HydrophobicContact CE2-CG 4.41Å; F658-E722 HydrophobicContact CG-CB 4.45Å; F658-E722 HydrophobicContact CZ-CB 4.12Å; F658-E722 HydrophobicContact CZ-CG 4.17Å
723Y71.2Confident84.4Confident93 Ų9360.2 Ų60.237%0.36533%0.325SS..  trans-118.3145.2174.1-64.9-106.1000109.1F691 T719 C721 D725 M726F691-Y723 HydrophobicContact CB-CE2 4.41Å; F691-Y723 AromaticContact CD1-CD2 3.92Å; F691-Y723 HydrophobicContact CD1-CD2 3.92Å; F691-Y723 AromaticContact CD1-CE2 3.76Å; F691-Y723 HydrophobicContact CD1-CE2 3.76Å; F691-Y723 HydrophobicContact CD1-CG 4.41Å; F691-Y723 HydrophobicContact CE1-CD2 4.23Å; F691-Y723 HydrophobicContact CE1-CE2 4.49Å; F691-Y723 HydrophobicContact CG-CE2 4.44Å; F691-Y723 PolarHBondContact O-OH 2.99Å; T719-Y723 HydrophobicContact CG2-CD2 4.35Å; T719-Y723 HydrophobicContact CG2-CE2 3.78Å; C721-Y723 HydrophobicContact CB-CD2 4.23Å; C721-Y723 HydrophobicContact CB-CE2 3.57Å; C721-Y723 VanDerWaalsContact O-CD2 3.24Å; C721-Y723 WeakPolarHBondContact O-CD2 3.45Å; Y723-D725 PolarHBondContact O-N 3.44Å; Y723-M726 HydrophobicContact CD2-CE 3.43Å; Y723-M726 VanDerWaalsContact CD2-CE 3.43Å; Y723-M726 HydrophobicContact CE2-CE 4.15Å; Y723-M726 HydrophobicContact CG-CE 4.32Å; Y723-M726 WeakPolarHBondContact O-CB 3.36Å; Y723-M726 WeakPolarHBondContact O-CG 3.49Å; Y723-M726 PolarHBondContact O-N 3.06Å; Y723-M726 VanDerWaalsContact O-N 3.09Å
724A64.6Low84.2Confident109 Ų10968 Ų6890%0.90135%0.354SS*.THydrogen-bonded Turntrans-56.9-25.2-171.500000115.4
725D65.1Low84.1Confident162 Ų16267 Ų6787%0.86636%0.355SS*.THydrogen-bonded Turntrans-102.216.7-177.3-61.3-39000113.7Y723Y723-D725 PolarHBondContact O-N 3.44Å
726M65.6Low84Confident33 Ų3370.2 Ų70.216%0.16337%0.372CS..  trans-84.2124.3-178.1-71.4-108.6-13200112F658 F691 T719 C721 Y723F658-M726 HydrophobicContact CB-CB 4.25Å; F658-M726 HydrophobicContact CB-CE 3.43Å; F658-M726 VanDerWaalsContact CB-CE 3.43Å; F658-M726 HydrophobicContact CB-CG 4.22Å; F658-M726 HydrophobicContact CB-SD 3.64Å; F658-M726 WeakPolarHBondContact O-CE 3.19Å; F691-M726 HydrophobicContact CD1-CE 4.15Å; F691-M726 HydrophobicContact CE1-CE 3.58Å; F691-M726 HydrophobicContact CE1-CG 4.48Å; F691-M726 HydrophobicContact CE1-SD 3.69Å; F691-M726 HydrophobicContact CZ-CE 3.9Å; F691-M726 HydrophobicContact CZ-SD 3.63Å; T719-M726 HydrophobicContact CG2-CE 3.63Å; C721-M726 WeakPolarHBondContact O-CE 3.48Å; Y723-M726 HydrophobicContact CD2-CE 3.43Å; Y723-M726 VanDerWaalsContact CD2-CE 3.43Å; Y723-M726 HydrophobicContact CE2-CE 4.15Å; Y723-M726 HydrophobicContact CG-CE 4.32Å; Y723-M726 WeakPolarHBondContact O-CB 3.36Å; Y723-M726 WeakPolarHBondContact O-CG 3.49Å; Y723-M726 PolarHBondContact O-N 3.06Å; Y723-M726 VanDerWaalsContact O-N 3.09Å
727P70.4Confident84.1Confident82 Ų8270.3 Ų70.353%0.53237%0.373SS..  trans-84.7-21.1-169.430-33.6000115N660N660-P727 WeakPolarHBondContact OD1-CG 3.39Å
728K86.5Confident84.2Confident112 Ų11270.2 Ų70.249%0.48737%0.372SS..EExtended strand (participates in β ladder)trans-146.7148.7-173.2-63-175.3-176.5-179.70112.2F658 G659 F716F658-K728 WeakPolarHBondContact CA-O 3.46Å; G659-K728 PolarHBondContact N-O 2.97Å; F716-K728 HydrophobicContact CE2-CB 3.83Å; F716-K728 HydrophobicContact CZ-CB 4.1Å; F716-K728 WeakPolarHBondContact CZ-O 3.16Å
729E88.5Confident84.3Confident116 Ų11670.3 Ų70.354%0.54237%0.372SS..EExtended strand (participates in β ladder)trans-111.8138.4170.7-177.4-173.6162.100109.2P656 I657 F658P656-E729 HydrophobicContact CB-CG 4.28Å; I657-E729 CarbonylContact O-C 3.55Å; I657-E729 WeakPolarHBondContact O-CA 3.24Å; F658-E729 HydrophobicContact CD1-CB 3.98Å; F658-E729 HydrophobicContact CD1-CG 4.07Å; F658-E729 HydrophobicContact CE1-CB 3.94Å; F658-E729 HydrophobicContact CE1-CG 3.71Å; F658-E729 HydrophobicContact CZ-CG 4.31Å
730W89.1Confident84.5Confident82 Ų8270.3 Ų70.331%0.31137%0.372SS..EExtended strand (participates in β ladder)trans-128122.2168.7-171.7-68.8000109.5I657 F716I657-W730 PolarHBondContact N-O 3.23Å; I657-W730 PolarHBondContact O-N 2.98Å; F716-W730 HydrophobicContact CB-CD2 4.4Å; F716-W730 HydrophobicContact CB-CE3 4.31Å; F716-W730 HydrophobicContact CB-CG 4.49Å; F716-W730 HydrophobicContact CD1-CB 3.63Å; F716-W730 HydrophobicContact CD1-CG 4.38Å; F716-W730 HydrophobicContact CD2-CB 4.03Å; F716-W730 HydrophobicContact CD2-CE3 4.07Å; F716-W730 HydrophobicContact CE1-CB 3.69Å; F716-W730 HydrophobicContact CE2-CB 4.08Å; F716-W730 HydrophobicContact CG-CB 3.79Å; F716-W730 HydrophobicContact CG-CD2 4.43Å; F716-W730 HydrophobicContact CG-CE3 4.31Å; F716-W730 HydrophobicContact CG-CG 4.25Å; F716-W730 HydrophobicContact CZ-CB 3.91Å
731T90.9Very high84.8Confident68 Ų6874.2 Ų74.242%0.41738%0.381SS..EExtended strand (participates in β ladder)trans-93.9125177-41.20000110.3E654E654-T731 HydrophobicContact CB-CG2 4.07Å
732T88.7Confident85.3Confident4 Ų472.8 Ų72.83%0.02537%0.368CS..PPolyproline II helixtrans-66.8145.9173.961.80000110.8F652 P653 E654 T655 I657 V698 I774F652-T732 HydrophobicContact CE1-CG2 4.15Å; F652-T732 WeakPolarHBondContact CE1-OG1 3.34Å; P653-T732 PolarHBondContact O-OG1 3.42Å; E654-T732 WeakPolarHBondContact CA-O 3.24Å; T655-T732 WeakPolarHBondContact CB-OG1 3.5Å; T655-T732 PolarHBondContact N-OG1 2.89Å; T655-T732 PolarHBondContact O-N 2.95Å; T655-T732 PolarHBondContact O-OG1 3.36Å; I657-T732 HydrophobicContact CD1-CG2 3.55Å; I657-T732 HydrophobicContact CG1-CG2 4.44Å; V698-T732 HydrophobicContact CG2-CG2 4.3Å; T732-I774 HydrophobicContact CG2-CD1 3.67Å; T732-I774 HydrophobicContact CG2-CG1 4.18Å
733T88.9Confident86.2Confident86 Ų8672.2 Ų72.253%0.52837%0.365SS..PPolyproline II helixtrans-77.5132.3177.1-47.90000110.3Y737T733-Y737 WeakPolarHBondContact O-CE2 3.35Å; T733-Y737 PolarHBondContact O-OH 3.1Å
734R90.1Very high87.2Confident164 Ų16468.6 Ų68.662%0.61936%0.356SS*.PPolyproline II helixtrans-68.3135.7171.2173.6-179.8-178.7-168.11.6110.8F652 E654F652-R734 VanDerWaalsContact O-CA 3.32Å; F652-R734 WeakPolarHBondContact O-CA 3.41Å; E654-R734 HydrophobicContact CG-CB 3.6Å
735G90.6Very high88.5Confident22 Ų2265.6 Ų65.623%0.22733%0.325CS..EExtended strand (participates in β ladder)trans175.6-173.9177.100000113.4N651 F652 Y737N651-G735 CarbonylContact C-O 3.49Å; N651-G735 VanDerWaalsContact CA-O 3.31Å; N651-G735 WeakPolarHBondContact CA-O 3.37Å; N651-G735 PolarHBondContact OD1-O 3.06Å; F652-G735 PolarHBondContact N-O 3.15Å; F652-G735 PolarHBondContact O-N 2.87Å; G735-Y737 WeakPolarHBondContact O-CD2 3.25Å
736L94.4Very high89.7Confident69 Ų6958.3 Ų58.336%0.36129%0.285SS..EExtended strand (participates in β ladder)trans-82.5124.4173.9-17567.4000109.9L649 V799L649-L736 HydrophobicContact CB-CD1 4.28Å; L736-V799 HydrophobicContact CG-CG2 4.35Å; L736-V799 PolarHBondContact O-N 2.72Å
737Y96.2Very high90.8Very high6 Ų662.7 Ų62.72%0.02431%0.305CS..EExtended strand (participates in β ladder)trans-124.5144.9179.2-74.5-106.8000110.8L649 I650 F652 T733 G735 I774 F796 I797 P798L649-Y737 WeakPolarHBondContact CA-O 3.45Å; I650-Y737 PolarHBondContact N-O 3.36Å; I650-Y737 PolarHBondContact O-N 3.11Å; F652-Y737 HydrophobicContact CB-CD2 3.37Å; F652-Y737 HydrophobicContact CB-CE2 3.81Å; F652-Y737 HydrophobicContact CB-CG 3.9Å; F652-Y737 HydrophobicContact CG-CD2 4.39Å; T733-Y737 WeakPolarHBondContact O-CE2 3.35Å; T733-Y737 PolarHBondContact O-OH 3.1Å; G735-Y737 WeakPolarHBondContact O-CD2 3.25Å; Y737-I774 HydrophobicContact CE1-CD1 3.82Å; Y737-I774 HydrophobicContact CE1-CG1 4.4Å; Y737-F796 HydrophobicContact CD1-CB 3.71Å; Y737-F796 HydrophobicContact CG-CB 4.24Å; Y737-I797 CarbonylContact C-O 3.5Å; Y737-I797 WeakPolarHBondContact CA-O 3.26Å; Y737-P798 HydrophobicContact CD1-CB 4.09Å; Y737-P798 VanDerWaalsContact CD1-N 3.34Å; Y737-P798 HydrophobicContact CE1-CB 3.66Å; Y737-P798 HydrophobicContact CE1-CG 4.1Å; Y737-P798 HydrophobicContact CE2-CB 4.4Å
738A95.6Very high91.7Very high0 Ų063.3 Ų63.30%030%0.304CS..EExtended strand (participates in β ladder)trans-91.6119.3165.300000108.7L649 F740 L761 L766 F796 I797 V799L649-A738 HydrophobicContact CD2-CB 4.14Å; A738-F740 HydrophobicContact CB-CE2 3.66Å; A738-F740 HydrophobicContact CB-CZ 4.24Å; A738-L761 HydrophobicContact CB-CD2 4Å; A738-L766 HydrophobicContact CB-CD1 4.23Å; A738-F796 WeakPolarHBondContact O-CA 3.4Å; A738-I797 PolarHBondContact N-O 3.01Å; A738-I797 PolarHBondContact O-N 2.83Å; A738-V799 HydrophobicContact CB-CG1 3.98Å; A738-V799 HydrophobicContact CB-CG2 3.88Å
739S95.8Very high91.8Very high1 Ų158.2 Ų58.21%0.00728%0.282CS..EExtended strand (participates in β ladder)trans-93.9134.3175.5149.40000110.4C647 R648 E794 I795C647-S739 WeakPolarHBondContact CA-O 3.49Å; R648-S739 PolarHBondContact N-O 2.95Å; R648-S739 PolarHBondContact O-N 3.3Å; S739-E794 PolarHBondContact OG-OE1 3.28Å; S739-I795 CarbonylContact C-O 3.48Å; S739-I795 VanDerWaalsContact CA-O 3.27Å; S739-I795 WeakPolarHBondContact CA-O 3.19Å
740F95.6Very high91.8Very high1 Ų154 Ų540%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-133.9143.9170.9-57.8-92.9000109.4T645 C647 A738 W752 I756 E760 L761 E794 I795T645-F740 HydrophobicContact CG2-CB 4.3Å; T645-F740 HydrophobicContact CG2-CD1 3.99Å; C647-F740 HydrophobicContact CB-CD1 4.04Å; C647-F740 HydrophobicContact CB-CE1 3.48Å; C647-F740 VanDerWaalsContact CB-CE1 3.48Å; C647-F740 HydrophobicContact CB-CZ 3.99Å; C647-F740 VanDerWaalsContact SG-CE1 3.51Å; C647-F740 WeakPolarHBondContact SG-CZ 3.24Å; A738-F740 HydrophobicContact CB-CE2 3.66Å; A738-F740 HydrophobicContact CB-CZ 4.24Å; F740-W752 HydrophobicContact CB-CH2 3.75Å; F740-W752 HydrophobicContact CB-CZ2 3.75Å; F740-I756 HydrophobicContact CB-CD1 3.83Å; F740-I756 HydrophobicContact CB-CG1 4.47Å; F740-I756 HydrophobicContact CD1-CG1 4.46Å; F740-I756 HydrophobicContact CD1-CG2 4.5Å; F740-I756 HydrophobicContact CD2-CD1 4.03Å; F740-I756 HydrophobicContact CD2-CG1 4.36Å; F740-I756 HydrophobicContact CD2-CG2 3.59Å; F740-I756 HydrophobicContact CE1-CG2 4.28Å; F740-I756 HydrophobicContact CE2-CG2 3.33Å; F740-I756 HydrophobicContact CG-CD1 3.93Å; F740-I756 HydrophobicContact CG-CG1 4.19Å; F740-I756 HydrophobicContact CG-CG2 4.17Å; F740-I756 HydrophobicContact CZ-CG2 3.7Å; F740-E760 HydrophobicContact CD1-CB 4.48Å; F740-E760 HydrophobicContact CE1-CB 3.57Å; F740-E760 HydrophobicContact CE1-CG 4.13Å; F740-E760 HydrophobicContact CZ-CB 3.87Å; F740-L761 HydrophobicContact CE2-CD2 4.05Å; F740-L761 HydrophobicContact CZ-CD2 4.05Å; F740-E794 CarbonylContact O-C 3.43Å; F740-E794 WeakPolarHBondContact O-CA 3.22Å; F740-I795 HydrophobicContact CB-CG2 3.85Å; F740-I795 HydrophobicContact CD2-CG2 4.37Å; F740-I795 PolarHBondContact N-O 2.62Å; F740-I795 PolarHBondContact O-N 3.36Å
741R94.9Very high91.5Very high138 Ų13853.7 Ų53.752%0.52127%0.27SS..EExtended strand (participates in β ladder)trans-112.9134.9179.7-173.3175174.5-175.4-4.6111.1E743 W752 C793R741-E743 IonicContact NH2-OE2 3.22Å; R741-W752 WeakPolarHBondContact O-CZ2 3.28Å; R741-C793 CarbonylContact C-O 3.59Å; R741-C793 WeakPolarHBondContact CA-O 3.44Å
742Y93.9Very high91.4Very high27 Ų2752 Ų5211%0.10626%0.256CS..EExtended strand (participates in β ladder)trans-119140.6174.9-177.5-100.6000110.6G744 N745 Y749 W752 V791 V792 C793Y742-G744 WeakPolarHBondContact CE1-O 3.4Å; Y742-N745 PolarHBondContact OH-N 3.18Å; Y742-N745 PolarHBondContact OH-O 3.08Å; Y742-Y749 AromaticContact CD1-CD2 3.65Å; Y742-Y749 HydrophobicContact CD1-CD2 3.65Å; Y742-Y749 HydrophobicContact CD1-CE2 4.37Å; Y742-Y749 HydrophobicContact CE1-CD2 4.04Å; Y742-Y749 HydrophobicContact CG-CD2 4.01Å; Y742-W752 HydrophobicContact CD2-CB 3.96Å; Y742-W752 AromaticContact CD2-CD1 3.79Å; Y742-W752 AromaticContact CD2-CD2 3.49Å; Y742-W752 HydrophobicContact CD2-CD2 3.49Å; Y742-W752 VanDerWaalsContact CD2-CD2 3.49Å; Y742-W752 AromaticContact CD2-CE2 3.83Å; Y742-W752 AromaticContact CD2-CE3 3.97Å; Y742-W752 HydrophobicContact CD2-CE3 3.97Å; Y742-W752 AromaticContact CD2-CG 3.47Å; Y742-W752 HydrophobicContact CD2-CG 3.47Å; Y742-W752 VanDerWaalsContact CD2-CG 3.47Å; Y742-W752 AromaticContact CD2-NE1 3.99Å; Y742-W752 HydrophobicContact CE2-CB 3.94Å; Y742-W752 HydrophobicContact CE2-CD2 4.36Å; Y742-W752 AromaticContact CE2-CG 3.91Å; Y742-W752 HydrophobicContact CE2-CG 3.91Å; Y742-W752 AromaticContact CG-CD2 3.98Å; Y742-W752 HydrophobicContact CG-CD2 3.98Å; Y742-W752 HydrophobicContact CG-CE3 4Å; Y742-W752 HydrophobicContact CG-CG 4.38Å; Y742-W752 HydrophobicContact CG-CZ3 4.35Å; Y742-V791 HydrophobicContact CD1-CG2 4.18Å; Y742-V791 HydrophobicContact CE1-CG2 4.09Å; Y742-V792 WeakPolarHBondContact O-CA 3.49Å; Y742-C793 PolarHBondContact N-O 2.68Å; Y742-C793 PolarHBondContact O-N 3.44Å
743E93.5Very high91.5Very high141 Ų14153 Ų5366%0.65926%0.262SS*.EExtended strand (participates in β ladder)trans-143.1113.3171.9178.9164.5173.600107.9R741 V791 V792R741-E743 IonicContact NH2-OE2 3.22Å; E743-V791 WeakPolarHBondContact CA-O 3.3Å; E743-V792 HydrophobicContact CG-CG2 4.08Å
744G92.5Very high91.3Very high18 Ų1852 Ų5219%0.18625%0.248CC..EExtended strand (participates in β ladder)trans158.7-166.7-178.200000113.9Y742 D790 V791Y742-G744 WeakPolarHBondContact CE1-O 3.4Å; G744-D790 CarbonylContact O-C 3.57Å; G744-D790 WeakPolarHBondContact O-CA 3.4Å; G744-V791 PolarHBondContact N-O 2.79Å; G744-V791 VanDerWaalsContact N-O 3.1Å; G744-V791 PolarHBondContact O-N 2.87Å
745N91.7Very high91.1Very high46 Ų4645.1 Ų45.125%0.24622%0.224CC..EExtended strand (participates in β ladder)trans-69.3130.2-172.3-174.5-43.6000112.8Y742 E747 N748 D790Y742-N745 PolarHBondContact OH-N 3.18Å; Y742-N745 PolarHBondContact OH-O 3.08Å; N745-E747 PolarHBondContact O-N 3.12Å; N745-E747 VanDerWaalsContact O-N 3.14Å; N745-E747 WeakPolarHBondContact OD1-CB 3.31Å; N745-E747 PolarHBondContact OD1-N 3.48Å; N745-N748 PolarHBondContact O-N 3.28Å; N745-D790 VanDerWaalsContact CA-OD1 3.24Å; N745-D790 WeakPolarHBondContact CA-OD1 3.34Å; N745-D790 PolarHBondContact N-OD1 3.02Å; N745-D790 VanDerWaalsContact N-OD1 3.14Å
746W91.1Very high91Very high8 Ų844.1 Ų44.13%0.0321%0.213CC..Hα-helixtrans-48.4-38.3177.1178.3-99.7000114.6V677 R680 R681 L684 N748 Y749 F777 F783 N789 V791V677-W746 PolarHBondContact O-NE1 3.28Å; R680-W746 HydrophobicContact CB-CH2 4.07Å; R680-W746 HydrophobicContact CB-CZ2 3.73Å; R681-W746 HydrophobicContact CB-CZ2 4.06Å; R681-W746 HydrophobicContact CG-CG 4.44Å; L684-W746 HydrophobicContact CD2-CE3 4.27Å; L684-W746 HydrophobicContact CD2-CH2 4.16Å; L684-W746 HydrophobicContact CD2-CZ3 3.66Å; W746-N748 PolarHBondContact O-N 3.29Å; W746-Y749 HydrophobicContact CE3-CD1 4.45Å; W746-Y749 HydrophobicContact CH2-CD1 4.31Å; W746-Y749 HydrophobicContact CZ3-CD1 4.01Å; W746-Y749 HydrophobicContact CZ3-CE1 4.43Å; W746-Y749 HydrophobicContact CZ3-CG 4.5Å; W746-Y749 VanDerWaalsContact O-CB 3.26Å; W746-Y749 WeakPolarHBondContact O-CB 3.36Å; W746-Y749 PolarHBondContact O-N 3.3Å; W746-Y749 VanDerWaalsContact O-N 3.09Å; W746-F777 HydrophobicContact CH2-CZ 4.33Å; W746-F777 AromaticContact CZ3-CE1 3.67Å; W746-F777 HydrophobicContact CZ3-CE1 3.67Å; W746-F777 AromaticContact CZ3-CZ 3.91Å; W746-F777 HydrophobicContact CZ3-CZ 3.91Å; W746-F783 HydrophobicContact CB-CE2 4.47Å; W746-N789 VanDerWaalsContact CB-O 3.24Å; W746-N789 WeakPolarHBondContact CB-O 3.43Å; W746-N789 PolarHBondContact N-O 3.03Å; W746-V791 HydrophobicContact CE3-CG1 3.92Å; W746-V791 HydrophobicContact CE3-CG2 3.97Å
747E88.5Confident90.7Very high125 Ų12541.9 Ų41.958%0.58420%0.201SC*.Hα-helixtrans-61.6-29.5-179.6-65.7178.2-178.400112.3N745N745-E747 PolarHBondContact O-N 3.12Å; N745-E747 VanDerWaalsContact O-N 3.14Å; N745-E747 WeakPolarHBondContact OD1-CB 3.31Å; N745-E747 PolarHBondContact OD1-N 3.48Å
748N87.8Confident90.1Very high95 Ų9542.2 Ų42.251%0.50820%0.202SC..Hα-helixtrans-91-8.8179.2-62.2-40.3000113.1N745 W746 D751 W752N745-N748 PolarHBondContact O-N 3.28Å; W746-N748 PolarHBondContact O-N 3.29Å; N748-D751 PolarHBondContact O-N 3.08Å; N748-W752 PolarHBondContact O-N 3.11Å; N748-W752 VanDerWaalsContact O-N 3.08Å
749Y90.2Very high89.6Confident5 Ų543.5 Ų43.52%0.0221%0.209CC..Hα-helixtrans-63.8-45.1-172.8175.8-106.4000112.6Y742 W746 D751 W752 V753 E775 F777 C793Y742-Y749 AromaticContact CD1-CD2 3.65Å; Y742-Y749 HydrophobicContact CD1-CD2 3.65Å; Y742-Y749 HydrophobicContact CD1-CE2 4.37Å; Y742-Y749 HydrophobicContact CE1-CD2 4.04Å; Y742-Y749 HydrophobicContact CG-CD2 4.01Å; W746-Y749 HydrophobicContact CE3-CD1 4.45Å; W746-Y749 HydrophobicContact CH2-CD1 4.31Å; W746-Y749 HydrophobicContact CZ3-CD1 4.01Å; W746-Y749 HydrophobicContact CZ3-CE1 4.43Å; W746-Y749 HydrophobicContact CZ3-CG 4.5Å; W746-Y749 VanDerWaalsContact O-CB 3.26Å; W746-Y749 WeakPolarHBondContact O-CB 3.36Å; W746-Y749 PolarHBondContact O-N 3.3Å; W746-Y749 VanDerWaalsContact O-N 3.09Å; Y749-D751 VanDerWaalsContact C-N 3.32Å; Y749-D751 PolarHBondContact O-N 2.82Å; Y749-W752 HydrophobicContact CD2-CE3 4.09Å; Y749-W752 HydrophobicContact CD2-CZ3 4.5Å; Y749-W752 AromaticContact CE2-CE3 3.9Å; Y749-W752 HydrophobicContact CE2-CE3 3.9Å; Y749-W752 AromaticContact CE2-CZ3 3.9Å; Y749-W752 HydrophobicContact CE2-CZ3 3.9Å; Y749-W752 WeakPolarHBondContact O-CB 3.44Å; Y749-W752 PolarHBondContact O-N 2.92Å; Y749-W752 VanDerWaalsContact O-N 3.14Å; Y749-V753 HydrophobicContact CD1-CG2 4.29Å; Y749-V753 HydrophobicContact CD2-CG2 4.41Å; Y749-V753 HydrophobicContact CE1-CG2 3.79Å; Y749-V753 HydrophobicContact CE2-CG2 3.92Å; Y749-V753 WeakPolarHBondContact O-CG2 3.33Å; Y749-V753 PolarHBondContact O-N 3.04Å; Y749-E775 WeakPolarHBondContact CE1-OE2 3.3Å; Y749-E775 WeakPolarHBondContact OH-CG 3.43Å; Y749-E775 PolarHBondContact OH-OE2 3.13Å; Y749-F777 HydrophobicContact CE1-CE1 4.04Å; Y749-F777 AromaticContact CE1-CZ 3.7Å; Y749-F777 HydrophobicContact CE1-CZ 3.7Å; Y749-F777 HydrophobicContact CE2-CE1 4.18Å; Y749-F777 HydrophobicContact CE2-CZ 4.47Å; Y749-F777 AromaticContact CZ-CE1 3.81Å; Y749-F777 AromaticContact CZ-CZ 3.66Å; Y749-F777 WeakPolarHBondContact OH-CZ 3.31Å; Y749-C793 HydrophobicContact CE2-CB 3.78Å; Y749-C793 PolarHBondContact OH-SG 3.25Å
750S87.4Confident89.2Confident29 Ų2944.2 Ų44.220%0.20321%0.212CC..Hα-helixtrans-61.7-40.9-178.8-174.20000112.1S672 W752 V753 R754S672-S750 WeakPolarHBondContact CB-OG 3.39Å; S672-S750 VanDerWaalsContact OG-CB 3.3Å; S672-S750 WeakPolarHBondContact OG-CB 3.27Å; S672-S750 PolarHBondContact OG-OG 3.14Å; S750-W752 VanDerWaalsContact C-N 3.34Å; S750-V753 PolarHBondContact O-N 3.26Å; S750-R754 PolarHBondContact O-N 3.31Å
751D83.8Confident88.9Confident75 Ų7544.1 Ų44.140%0.40121%0.212SC..Hα-helixtrans-68.2-35.7176.8-70.4-8.7000111.5S672 N748 Y749 R754 N755S672-D751 PolarHBondContact OG-OD1 3.03Å; N748-D751 PolarHBondContact O-N 3.08Å; Y749-D751 VanDerWaalsContact C-N 3.32Å; Y749-D751 PolarHBondContact O-N 2.82Å; D751-R754 PolarHBondContact O-N 2.98Å; D751-N755 PolarHBondContact O-N 2.84Å; D751-N755 PolarHBondContact O-ND2 3.36Å; D751-N755 PolarHBondContact O-OD1 3.48Å
752W88.3Confident88.5Confident32 Ų3238.4 Ų38.412%0.12119%0.193CC..Hα-helixtrans-62.5-46.7172176.881.1000112.2T645 F740 R741 Y742 N748 Y749 S750 R754 N755 I756 I795T645-W752 HydrophobicContact CG2-CZ2 3.97Å; F740-W752 HydrophobicContact CB-CH2 3.75Å; F740-W752 HydrophobicContact CB-CZ2 3.75Å; R741-W752 WeakPolarHBondContact O-CZ2 3.28Å; Y742-W752 HydrophobicContact CD2-CB 3.96Å; Y742-W752 AromaticContact CD2-CD1 3.79Å; Y742-W752 AromaticContact CD2-CD2 3.49Å; Y742-W752 HydrophobicContact CD2-CD2 3.49Å; Y742-W752 VanDerWaalsContact CD2-CD2 3.49Å; Y742-W752 AromaticContact CD2-CE2 3.83Å; Y742-W752 AromaticContact CD2-CE3 3.97Å; Y742-W752 HydrophobicContact CD2-CE3 3.97Å; Y742-W752 AromaticContact CD2-CG 3.47Å; Y742-W752 HydrophobicContact CD2-CG 3.47Å; Y742-W752 VanDerWaalsContact CD2-CG 3.47Å; Y742-W752 AromaticContact CD2-NE1 3.99Å; Y742-W752 HydrophobicContact CE2-CB 3.94Å; Y742-W752 HydrophobicContact CE2-CD2 4.36Å; Y742-W752 AromaticContact CE2-CG 3.91Å; Y742-W752 HydrophobicContact CE2-CG 3.91Å; Y742-W752 AromaticContact CG-CD2 3.98Å; Y742-W752 HydrophobicContact CG-CD2 3.98Å; Y742-W752 HydrophobicContact CG-CE3 4Å; Y742-W752 HydrophobicContact CG-CG 4.38Å; Y742-W752 HydrophobicContact CG-CZ3 4.35Å; N748-W752 PolarHBondContact O-N 3.11Å; N748-W752 VanDerWaalsContact O-N 3.08Å; Y749-W752 HydrophobicContact CD2-CE3 4.09Å; Y749-W752 HydrophobicContact CD2-CZ3 4.5Å; Y749-W752 AromaticContact CE2-CE3 3.9Å; Y749-W752 HydrophobicContact CE2-CE3 3.9Å; Y749-W752 AromaticContact CE2-CZ3 3.9Å; Y749-W752 HydrophobicContact CE2-CZ3 3.9Å; Y749-W752 WeakPolarHBondContact O-CB 3.44Å; Y749-W752 PolarHBondContact O-N 2.92Å; Y749-W752 VanDerWaalsContact O-N 3.14Å; S750-W752 VanDerWaalsContact C-N 3.34Å; W752-R754 VanDerWaalsContact C-N 3.32Å; W752-R754 PolarHBondContact O-N 3.25Å; W752-N755 WeakPolarHBondContact O-CB 3.49Å; W752-N755 PolarHBondContact O-N 3Å; W752-I756 HydrophobicContact CD2-CD1 4.16Å; W752-I756 HydrophobicContact CE3-CD1 3.94Å; W752-I756 HydrophobicContact CH2-CD1 3.6Å; W752-I756 HydrophobicContact CZ2-CD1 3.81Å; W752-I756 HydrophobicContact CZ2-CG1 4.47Å; W752-I756 HydrophobicContact CZ3-CD1 3.65Å; W752-I756 PolarHBondContact O-N 2.83Å; W752-I756 VanDerWaalsContact O-N 3.17Å; W752-I795 HydrophobicContact CH2-CG2 3.59Å; W752-I795 HydrophobicContact CZ3-CB 4.41Å; W752-I795 HydrophobicContact CZ3-CG2 3.66Å
753V89.9Confident88Confident24 Ų2440.8 Ų40.815%0.14522%0.218CC..Hα-helixtrans-58.5-45.6176.1174.10000110.6Y749 S750 N755 I756 Y757 I795Y749-V753 HydrophobicContact CD1-CG2 4.29Å; Y749-V753 HydrophobicContact CD2-CG2 4.41Å; Y749-V753 HydrophobicContact CE1-CG2 3.79Å; Y749-V753 HydrophobicContact CE2-CG2 3.92Å; Y749-V753 WeakPolarHBondContact O-CG2 3.33Å; Y749-V753 PolarHBondContact O-N 3.04Å; S750-V753 PolarHBondContact O-N 3.26Å; V753-N755 VanDerWaalsContact C-N 3.26Å; V753-N755 PolarHBondContact O-N 3.07Å; V753-I756 WeakPolarHBondContact O-CB 3.29Å; V753-I756 PolarHBondContact O-N 3.5Å; V753-I756 VanDerWaalsContact O-N 3.16Å; V753-Y757 HydrophobicContact CG1-CE2 4.49Å; V753-Y757 WeakPolarHBondContact O-CD2 3.35Å; V753-I795 HydrophobicContact CG1-CD1 3.87Å; V753-I795 HydrophobicContact CG2-CD1 4.13Å
754R85.1Confident87.7Confident65 Ų6538.3 Ų38.325%0.24520%0.203CC..Hα-helixtrans-57.8-38.5175.6-179.5-178.3170.8128.4-1.3112.2S669 N670 S750 D751 W752 I756 Y757 L758S669-R754 PolarHBondContact O-NH1 2.81Å; N670-R754 PolarHBondContact O-NH1 2.93Å; N670-R754 PolarHBondContact OD1-NH2 2.84Å; S750-R754 PolarHBondContact O-N 3.31Å; D751-R754 PolarHBondContact O-N 2.98Å; W752-R754 VanDerWaalsContact C-N 3.32Å; W752-R754 PolarHBondContact O-N 3.25Å; R754-I756 VanDerWaalsContact C-N 3.33Å; R754-I756 PolarHBondContact O-N 3.44Å; R754-Y757 WeakPolarHBondContact O-CB 3.39Å; R754-Y757 PolarHBondContact O-N 3.33Å; R754-L758 HydrophobicContact CG-CD1 3.78Å; R754-L758 HydrophobicContact CG-CG 4.36Å; R754-L758 WeakPolarHBondContact O-CG 3.44Å; R754-L758 PolarHBondContact O-N 2.77Å; R754-L758 VanDerWaalsContact O-N 3.1Å
755N85.7Confident87.5Confident20 Ų2038.7 Ų38.711%0.10721%0.207CC..Hα-helixtrans-69.4-29179.7-69-15.2000113I639 Q642 D751 W752 V753 Y757 L758 I759 E760I639-N755 HydrophobicContact CG2-CB 4.29Å; I639-N755 VanDerWaalsContact CG2-CG 3.46Å; I639-N755 WeakPolarHBondContact CG2-ND2 3.33Å; I639-N755 WeakPolarHBondContact CG2-OD1 3.35Å; Q642-N755 PolarHBondContact OE1-ND2 2.87Å; D751-N755 PolarHBondContact O-N 2.84Å; D751-N755 PolarHBondContact O-ND2 3.36Å; D751-N755 PolarHBondContact O-OD1 3.48Å; W752-N755 WeakPolarHBondContact O-CB 3.49Å; W752-N755 PolarHBondContact O-N 3Å; V753-N755 VanDerWaalsContact C-N 3.26Å; V753-N755 PolarHBondContact O-N 3.07Å; N755-Y757 VanDerWaalsContact C-N 3.3Å; N755-Y757 PolarHBondContact O-N 3.25Å; N755-L758 PolarHBondContact O-N 3.27Å; N755-I759 WeakPolarHBondContact O-CB 3.31Å; N755-I759 PolarHBondContact O-N 3.06Å; N755-E760 PolarHBondContact O-N 2.99Å
756I89.7Confident87.5Confident1 Ų136.9 Ų36.91%0.00520%0.197CC..Iπ-helixtrans-58.1-47.4172.7-64.4169.4000110.4F740 W752 V753 R754 E760 L761 I795 I797F740-I756 HydrophobicContact CB-CD1 3.83Å; F740-I756 HydrophobicContact CB-CG1 4.47Å; F740-I756 HydrophobicContact CD1-CG1 4.46Å; F740-I756 HydrophobicContact CD1-CG2 4.5Å; F740-I756 HydrophobicContact CD2-CD1 4.03Å; F740-I756 HydrophobicContact CD2-CG1 4.36Å; F740-I756 HydrophobicContact CD2-CG2 3.59Å; F740-I756 HydrophobicContact CE1-CG2 4.28Å; F740-I756 HydrophobicContact CE2-CG2 3.33Å; F740-I756 HydrophobicContact CG-CD1 3.93Å; F740-I756 HydrophobicContact CG-CG1 4.19Å; F740-I756 HydrophobicContact CG-CG2 4.17Å; F740-I756 HydrophobicContact CZ-CG2 3.7Å; W752-I756 HydrophobicContact CD2-CD1 4.16Å; W752-I756 HydrophobicContact CE3-CD1 3.94Å; W752-I756 HydrophobicContact CH2-CD1 3.6Å; W752-I756 HydrophobicContact CZ2-CD1 3.81Å; W752-I756 HydrophobicContact CZ2-CG1 4.47Å; W752-I756 HydrophobicContact CZ3-CD1 3.65Å; W752-I756 PolarHBondContact O-N 2.83Å; W752-I756 VanDerWaalsContact O-N 3.17Å; V753-I756 WeakPolarHBondContact O-CB 3.29Å; V753-I756 PolarHBondContact O-N 3.5Å; V753-I756 VanDerWaalsContact O-N 3.16Å; R754-I756 VanDerWaalsContact C-N 3.33Å; R754-I756 PolarHBondContact O-N 3.44Å; I756-E760 HydrophobicContact CG2-CB 4.39Å; I756-E760 PolarHBondContact O-N 3.31Å; I756-L761 HydrophobicContact CG2-CG 4.16Å; I756-L761 PolarHBondContact O-N 3.09Å; I756-I795 HydrophobicContact CD1-CG2 3.5Å; I756-I795 VanDerWaalsContact CD1-CG2 3.5Å; I756-I797 HydrophobicContact CB-CD1 4.35Å; I756-I797 HydrophobicContact CG2-CD1 3.45Å; I756-I797 VanDerWaalsContact CG2-CD1 3.45Å
757Y88.2Confident87.5Confident23 Ų2336.5 Ų36.59%0.0920%0.196CC..Iπ-helixtrans-65.2-44.1177.6-82.3-93.6000113.3W628 L630 V753 R754 N755 L761 P762 R768 D773 I797W628-Y757 HydrophobicContact CE3-CD1 4.27Å; W628-Y757 HydrophobicContact CE3-CE1 4.18Å; W628-Y757 HydrophobicContact CH2-CD1 4.48Å; W628-Y757 AromaticContact CZ3-CD1 3.79Å; W628-Y757 HydrophobicContact CZ3-CD1 3.79Å; W628-Y757 AromaticContact CZ3-CE1 3.87Å; W628-Y757 HydrophobicContact CZ3-CE1 3.87Å; L630-Y757 HydrophobicContact CD1-CD1 4.12Å; V753-Y757 HydrophobicContact CG1-CE2 4.49Å; V753-Y757 WeakPolarHBondContact O-CD2 3.35Å; R754-Y757 WeakPolarHBondContact O-CB 3.39Å; R754-Y757 PolarHBondContact O-N 3.33Å; N755-Y757 VanDerWaalsContact C-N 3.3Å; N755-Y757 PolarHBondContact O-N 3.25Å; Y757-L761 HydrophobicContact CD1-CD1 4.46Å; Y757-P762 WeakPolarHBondContact O-CD 3.42Å; Y757-R768 VanDerWaalsContact OH-CD 3.3Å; Y757-R768 WeakPolarHBondContact OH-CD 3.26Å; Y757-R768 PolarHBondContact OH-NE 3.03Å; Y757-D773 PolarHBondContact OH-OD1 2.89Å; Y757-D773 VanDerWaalsContact OH-OD1 3.05Å; Y757-D773 PolarHBondContact OH-OD2 3.27Å; Y757-I797 HydrophobicContact CD2-CD1 4.17Å; Y757-I797 HydrophobicContact CE2-CD1 3.67Å; Y757-I797 HydrophobicContact CE2-CG1 4.49Å
758L83.9Confident87.7Confident12 Ų1231.5 Ų31.56%0.06317%0.171CC..Iπ-helixtrans-86.3-15.5-171.4-61.4-178.7000113.9I583 I633 R754 N755I583-L758 HydrophobicContact CD1-CD2 3.79Å; I583-L758 HydrophobicContact CG1-CD2 4.48Å; I633-L758 HydrophobicContact CD1-CD2 4.38Å; I633-L758 HydrophobicContact CG2-CD2 4.28Å; R754-L758 HydrophobicContact CG-CD1 3.78Å; R754-L758 HydrophobicContact CG-CG 4.36Å; R754-L758 WeakPolarHBondContact O-CG 3.44Å; R754-L758 PolarHBondContact O-N 2.77Å; R754-L758 VanDerWaalsContact O-N 3.1Å; N755-L758 PolarHBondContact O-N 3.27Å
759I83.2Confident87.9Confident28 Ų2828.8 Ų28.814%0.14416%0.159CC..Iπ-helixtrans-131.2-59.3-176.6-66.1166.3000111.7P635 I639 N755 L761 P762 A763P635-I759 HydrophobicContact CB-CD1 4.25Å; P635-I759 HydrophobicContact CB-CG1 3.53Å; P635-I759 HydrophobicContact CG-CG1 4.22Å; I639-I759 HydrophobicContact CB-CD1 3.55Å; I639-I759 HydrophobicContact CG2-CD1 3.02Å; I639-I759 HydrophobicContact CG2-CG1 4.37Å; N755-I759 WeakPolarHBondContact O-CB 3.31Å; N755-I759 PolarHBondContact O-N 3.06Å; I759-L761 PolarHBondContact O-N 3.03Å; I759-P762 WeakPolarHBondContact O-CD 3.22Å; I759-A763 WeakPolarHBondContact O-CB 3.32Å; I759-A763 PolarHBondContact O-N 2.94Å
760E87.7Confident87.8Confident15 Ų1533.2 Ų33.27%0.0718%0.182CC..Iπ-helixtrans-70.6-40.7-162.4-59.9-71.2-176.200112T645 F740 N755 I756 R764T645-E760 VanDerWaalsContact CB-OE1 3.27Å; T645-E760 WeakPolarHBondContact CB-OE1 3.36Å; T645-E760 PolarHBondContact N-OE1 3.03Å; T645-E760 PolarHBondContact OG1-OE1 3.12Å; F740-E760 HydrophobicContact CD1-CB 4.48Å; F740-E760 HydrophobicContact CE1-CB 3.57Å; F740-E760 HydrophobicContact CE1-CG 4.13Å; F740-E760 HydrophobicContact CZ-CB 3.87Å; N755-E760 PolarHBondContact O-N 2.99Å; I756-E760 HydrophobicContact CG2-CB 4.39Å; I756-E760 PolarHBondContact O-N 3.31Å; E760-R764 WeakPolarHBondContact O-CD 3.45Å; E760-R764 WeakPolarHBondContact O-CG 3.39Å; E760-R764 PolarHBondContact O-N 3.49Å; E760-R764 PolarHBondContact O-NH1 3.11Å; E760-R764 IonicContact OE2-CZ 2.83Å; E760-R764 IonicContact OE2-NH1 3.57Å; E760-R764 PolarHBondContact OE2-NH1 3.4Å; E760-R764 IonicContact OE2-NH2 3.69Å; E760-R764 PolarHBondContact OE2-NH2 2.93Å
761L90.1Very high87.8Confident0 Ų033.2 Ų33.20%019%0.187CC..Hα-helixtrans-66.1-53.3173.6-63.7-177.7000112.2L630 A738 F740 I756 Y757 I759 A763 R764 G765 L766 I797 V799L630-L761 HydrophobicContact CD1-CB 4.08Å; L630-L761 HydrophobicContact CD1-CD1 3.87Å; A738-L761 HydrophobicContact CB-CD2 4Å; F740-L761 HydrophobicContact CE2-CD2 4.05Å; F740-L761 HydrophobicContact CZ-CD2 4.05Å; I756-L761 HydrophobicContact CG2-CG 4.16Å; I756-L761 PolarHBondContact O-N 3.09Å; Y757-L761 HydrophobicContact CD1-CD1 4.46Å; I759-L761 PolarHBondContact O-N 3.03Å; L761-A763 VanDerWaalsContact C-N 3.35Å; L761-A763 PolarHBondContact O-N 2.98Å; L761-R764 PolarHBondContact O-N 3.31Å; L761-R764 VanDerWaalsContact O-N 3.12Å; L761-G765 PolarHBondContact O-N 3.43Å; L761-L766 HydrophobicContact CB-CB 4.4Å; L761-L766 HydrophobicContact CD2-CB 4.02Å; L761-L766 HydrophobicContact CD2-CD1 4.07Å; L761-L766 PolarHBondContact O-N 3.41Å; L761-I797 HydrophobicContact CD1-CD1 4.29Å; L761-I797 HydrophobicContact CD1-CG2 4.22Å; L761-V799 HydrophobicContact CD1-CG1 4.44Å; L761-V799 HydrophobicContact CD2-CG1 3.86Å
762P86.2Confident88.3Confident17 Ų1730.2 Ų30.211%0.1117%0.172CC..Hα-helixtrans-53.2-46.5174.2-21.721.3000113.9L630 Y757 I759 R764 G765L630-P762 HydrophobicContact CB-CG 3.88Å; L630-P762 WeakPolarHBondContact O-CB 3.49Å; L630-P762 WeakPolarHBondContact O-CG 3.46Å; Y757-P762 WeakPolarHBondContact O-CD 3.42Å; I759-P762 WeakPolarHBondContact O-CD 3.22Å; P762-R764 PolarHBondContact O-N 3.47Å; P762-R764 VanDerWaalsContact O-N 3.09Å; P762-G765 PolarHBondContact O-N 3.25Å
763A84.2Confident88.6Confident78 Ų7828.8 Ų28.865%0.64517%0.167SC*.Hα-helixtrans-64-17.7-177.100000113.2I759 L761I759-A763 WeakPolarHBondContact O-CB 3.32Å; I759-A763 PolarHBondContact O-N 2.94Å; L761-A763 VanDerWaalsContact C-N 3.35Å; L761-A763 PolarHBondContact O-N 2.98Å
764R87Confident88.8Confident88 Ų8827.7 Ų27.733%0.33216%0.16SC..THydrogen-bonded Turntrans-106.63.3178.1-71.5168.1-174.172-8.7113.2T645 E760 L761 P762 L766T645-R764 PolarHBondContact O-NH2 2.89Å; E760-R764 WeakPolarHBondContact O-CD 3.45Å; E760-R764 WeakPolarHBondContact O-CG 3.39Å; E760-R764 PolarHBondContact O-N 3.49Å; E760-R764 PolarHBondContact O-NH1 3.11Å; E760-R764 IonicContact OE2-CZ 2.83Å; E760-R764 IonicContact OE2-NH1 3.57Å; E760-R764 PolarHBondContact OE2-NH1 3.4Å; E760-R764 IonicContact OE2-NH2 3.69Å; E760-R764 PolarHBondContact OE2-NH2 2.93Å; L761-R764 PolarHBondContact O-N 3.31Å; L761-R764 VanDerWaalsContact O-N 3.12Å; P762-R764 PolarHBondContact O-N 3.47Å; P762-R764 VanDerWaalsContact O-N 3.09Å; R764-L766 VanDerWaalsContact C-N 3.27Å; R764-L766 HydrophobicContact CB-CD1 3.92Å; R764-L766 HydrophobicContact CB-CG 3.99Å; R764-L766 PolarHBondContact O-N 3.21Å
765G87.9Confident89.4Confident27 Ų2724.8 Ų24.828%0.27815%0.15SC..THydrogen-bonded Turntrans62.135.6-176.300000112.7L761 P762 V802L761-G765 PolarHBondContact O-N 3.43Å; P762-G765 PolarHBondContact O-N 3.25Å; G765-V802 PolarHBondContact O-N 3.48Å
766L91.2Very high89.9Confident8 Ų827.3 Ų27.34%0.04216%0.157CC..EExtended strand (participates in β ladder)trans-104130178.4-64.2172000110.1L649 A738 L761 R764 V799 R800L649-L766 HydrophobicContact CD1-CD2 4.46Å; L649-L766 HydrophobicContact CD2-CD1 3.86Å; L649-L766 HydrophobicContact CD2-CD2 4.16Å; A738-L766 HydrophobicContact CB-CD1 4.23Å; L761-L766 HydrophobicContact CB-CB 4.4Å; L761-L766 HydrophobicContact CD2-CB 4.02Å; L761-L766 HydrophobicContact CD2-CD1 4.07Å; L761-L766 PolarHBondContact O-N 3.41Å; R764-L766 VanDerWaalsContact C-N 3.27Å; R764-L766 HydrophobicContact CB-CD1 3.92Å; R764-L766 HydrophobicContact CB-CG 3.99Å; R764-L766 PolarHBondContact O-N 3.21Å; L766-V799 HydrophobicContact CB-CB 4.41Å; L766-V799 HydrophobicContact CB-CG1 4.41Å; L766-V799 HydrophobicContact CD2-CG2 4.39Å; L766-R800 WeakPolarHBondContact CA-O 3.5Å
767A91.5Very high90.2Very high0 Ų027.2 Ų27.20%016%0.157CC..EExtended strand (participates in β ladder)trans-100.6140.5169.600000110.1Y627 W628 V799 R800 V802Y627-A767 HydrophobicContact CD2-CB 3.64Å; Y627-A767 HydrophobicContact CE2-CB 4.43Å; Y627-A767 HydrophobicContact CG-CB 4.42Å; W628-A767 WeakPolarHBondContact O-CA 3.48Å; W628-A767 VanDerWaalsContact O-CB 3.27Å; W628-A767 WeakPolarHBondContact O-CB 3.36Å; A767-V799 CarbonylContact O-C 3.57Å; A767-V799 WeakPolarHBondContact O-CA 3.13Å; A767-V799 WeakPolarHBondContact O-CB 3.44Å; A767-R800 HydrophobicContact CB-CG 3.99Å; A767-R800 PolarHBondContact N-O 2.92Å; A767-R800 PolarHBondContact O-N 3.03Å; A767-V802 HydrophobicContact CB-CG2 3.27Å
768R92.5Very high90.5Very high19 Ų1929.1 Ų29.17%0.07217%0.165CC..EExtended strand (participates in β ladder)trans-73.5129.7171.8171.7176.1-169.9-69.8-4.1109.8Y627 W628 Y757 G771 D773 I797 P798Y627-R768 CarbonylContact C-O 3.49Å; Y627-R768 VanDerWaalsContact CA-O 3.26Å; Y627-R768 WeakPolarHBondContact CA-O 3.35Å; Y627-R768 WeakPolarHBondContact CB-O 3.42Å; W628-R768 HydrophobicContact CB-CB 4.28Å; W628-R768 PolarHBondContact N-O 3.35Å; W628-R768 PolarHBondContact O-N 3.39Å; W628-R768 VanDerWaalsContact O-N 3.14Å; Y757-R768 VanDerWaalsContact OH-CD 3.3Å; Y757-R768 WeakPolarHBondContact OH-CD 3.26Å; Y757-R768 PolarHBondContact OH-NE 3.03Å; R768-G771 PolarHBondContact NH2-O 2.62Å; R768-D773 IonicContact CZ-OD1 3.51Å; R768-D773 IonicContact NE-OD1 3.7Å; R768-D773 PolarHBondContact NE-OD1 2.85Å; R768-D773 IonicContact NH2-OD1 2.72Å; R768-D773 PolarHBondContact NH2-OD1 3.25Å; R768-I797 HydrophobicContact CB-CG2 4.47Å; R768-I797 HydrophobicContact CG-CG2 4.18Å; R768-P798 CarbonylContact C-O 3.59Å; R768-P798 WeakPolarHBondContact CA-O 3.43Å
769V92Very high90.9Very high39 Ų3931.4 Ų31.424%0.23617%0.173CC..EExtended strand (participates in β ladder)trans-91.4163.6171.3-600000110.6G771 P798 R800V769-G771 PolarHBondContact O-N 2.84Å; V769-P798 HydrophobicContact CG2-CB 3.72Å; V769-P798 HydrophobicContact CG2-CG 4.5Å; V769-P798 PolarHBondContact N-O 2.9Å; V769-R800 HydrophobicContact CG1-CB 3.83Å; V769-R800 HydrophobicContact CG1-CG 3.57Å
770N88.5Confident91.2Very high97 Ų9732 Ų3252%0.51918%0.176SC..SBendtrans-58.4134.5170.8-71.8-24.1000110.5R586 D626R586-N770 PolarHBondContact NH2-OD1 3.07Å; D626-N770 PolarHBondContact O-N 3.02Å; D626-N770 PolarHBondContact O-ND2 3.19Å
771G88.4Confident91.1Very high30 Ų3036.7 Ų36.731%0.30920%0.198SC..SBendtrans155.4178-175.800000111.2R768 V769R768-G771 PolarHBondContact NH2-O 2.62Å; V769-G771 PolarHBondContact O-N 2.84Å
772S92.8Very high90.9Very high12 Ų1240.3 Ų40.38%0.08422%0.217CC..  trans-91.1140.8177.4-45.30000111.2S699 T700S699-S772 CarbonylContact O-C 3.47Å; S699-S772 VanDerWaalsContact O-CA 3.28Å; S699-S772 WeakPolarHBondContact O-CA 3.31Å; T700-S772 WeakPolarHBondContact CG2-OG 3.24Å
773D94.7Very high91Very high1 Ų139.6 Ų39.61%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-77.8136.8166.5-70.827.4000108.3V698 S699 F701 Y757 R768V698-D773 CarbonylContact C-O 3.58Å; V698-D773 VanDerWaalsContact CA-O 3.31Å; V698-D773 WeakPolarHBondContact CA-O 3.35Å; S699-D773 PolarHBondContact N-O 2.77Å; S699-D773 PolarHBondContact O-N 3.41Å; F701-D773 HydrophobicContact CE2-CB 4.19Å; Y757-D773 PolarHBondContact OH-OD1 2.89Å; Y757-D773 VanDerWaalsContact OH-OD1 3.05Å; Y757-D773 PolarHBondContact OH-OD2 3.27Å; R768-D773 IonicContact CZ-OD1 3.51Å; R768-D773 IonicContact NE-OD1 3.7Å; R768-D773 PolarHBondContact NE-OD1 2.85Å; R768-D773 IonicContact NH2-OD1 2.72Å; R768-D773 PolarHBondContact NH2-OD1 3.25Å
774I95.5Very high90.9Very high1 Ų137.3 Ų37.31%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-116.5122.2-178.6-53.8162.4000107.6F652 Y696 F697 V698 T732 Y737 I795 F796F652-I774 HydrophobicContact CD1-CD1 3.85Å; F652-I774 HydrophobicContact CE1-CD1 3.73Å; F652-I774 HydrophobicContact CG-CD1 4.38Å; F652-I774 HydrophobicContact CZ-CD1 4.15Å; F652-I774 HydrophobicContact CZ-CG2 4.34Å; Y696-I774 HydrophobicContact CD1-CG2 4.01Å; F697-I774 CarbonylContact O-C 3.6Å; F697-I774 WeakPolarHBondContact O-CA 3.49Å; V698-I774 HydrophobicContact CG2-CG1 4.45Å; V698-I774 HydrophobicContact CG2-CG2 4.47Å; T732-I774 HydrophobicContact CG2-CD1 3.67Å; T732-I774 HydrophobicContact CG2-CG1 4.18Å; Y737-I774 HydrophobicContact CE1-CD1 3.82Å; Y737-I774 HydrophobicContact CE1-CG1 4.4Å; I774-I795 CarbonylContact O-C 3.53Å; I774-I795 WeakPolarHBondContact O-CA 3.47Å; I774-F796 HydrophobicContact CB-CB 4.2Å; I774-F796 HydrophobicContact CB-CD2 4.15Å; I774-F796 HydrophobicContact CG2-CD2 4.1Å; I774-F796 PolarHBondContact N-O 3.45Å; I774-F796 WeakPolarHBondContact O-CD2 3.33Å; I774-F796 PolarHBondContact O-N 2.89Å
775E96.2Very high90.5Very high5 Ų539.3 Ų39.32%0.02320%0.204CC..EExtended strand (participates in β ladder)trans-115.6116.3177.1-62.1166.1-130.900108.5R680 Y696 F697 Y749 F777 I795R680-E775 IonicContact CZ-OE1 2.82Å; R680-E775 IonicContact CZ-OE2 2.94Å; R680-E775 IonicContact NH2-OE1 3.7Å; R680-E775 PolarHBondContact NH2-OE1 3.01Å; R680-E775 IonicContact NH2-OE2 3.3Å; R680-E775 PolarHBondContact NH2-OE2 3.34Å; Y696-E775 CarbonylContact C-O 3.52Å; Y696-E775 VanDerWaalsContact CA-O 3.25Å; Y696-E775 WeakPolarHBondContact CA-O 3.45Å; F697-E775 HydrophobicContact CB-CB 4.17Å; F697-E775 PolarHBondContact N-O 2.87Å; F697-E775 PolarHBondContact O-N 2.85Å; Y749-E775 WeakPolarHBondContact CE1-OE2 3.3Å; Y749-E775 WeakPolarHBondContact OH-CG 3.43Å; Y749-E775 PolarHBondContact OH-OE2 3.13Å; E775-F777 HydrophobicContact CB-CD2 4.37Å; E775-F777 HydrophobicContact CB-CE2 3.74Å; E775-F777 HydrophobicContact CB-CZ 4.23Å; E775-F777 VanDerWaalsContact OE2-CZ 3.29Å; E775-F777 WeakPolarHBondContact OE2-CZ 3.09Å; E775-I795 HydrophobicContact CG-CB 4.31Å; E775-I795 HydrophobicContact CG-CD1 3.93Å; E775-I795 HydrophobicContact CG-CG1 3.81Å
776R96.1Very high90.2Very high72 Ų7245.5 Ų45.527%0.27222%0.223SC..EExtended strand (participates in β ladder)trans-99.1105.1174179.8-172.5178.7174.32.9108.9D694 Y696 C793 E794 F796D694-R776 HydrophobicContact CB-CG 4.37Å; D694-R776 IonicContact OD2-CZ 2.96Å; D694-R776 IonicContact OD2-NE 3.3Å; D694-R776 PolarHBondContact OD2-NE 2.94Å; D694-R776 IonicContact OD2-NH2 3.55Å; D694-R776 PolarHBondContact OD2-NH2 3.05Å; Y696-R776 HydrophobicContact CD1-CB 4.05Å; Y696-R776 HydrophobicContact CD1-CG 4.33Å; Y696-R776 HydrophobicContact CE1-CB 3.78Å; Y696-R776 HydrophobicContact CE1-CG 3.77Å; Y696-R776 HydrophobicContact CE2-CG 4.23Å; Y696-R776 WeakPolarHBondContact OH-CD 3.05Å; Y696-R776 PolarHBondContact OH-NE 2.85Å; R776-C793 CarbonylContact O-C 3.53Å; R776-C793 WeakPolarHBondContact O-CA 3.25Å; R776-E794 PolarHBondContact N-O 3.18Å; R776-E794 PolarHBondContact O-N 3.47Å; R776-F796 HydrophobicContact CB-CE2 4.07Å
777F96.1Very high89.6Confident0 Ų050.9 Ų50.90%025%0.252CS..EExtended strand (participates in β ladder)trans-86.3120.9170.3-63.8-83.1000109.7L684 M688 D694 I695 F697 W746 Y749 E775 V791 C793L684-F777 HydrophobicContact CD1-CB 3.76Å; L684-F777 HydrophobicContact CD1-CD1 4.46Å; L684-F777 HydrophobicContact CD1-CD2 3.66Å; L684-F777 HydrophobicContact CD1-CE2 4.38Å; L684-F777 HydrophobicContact CD1-CG 3.7Å; L684-F777 HydrophobicContact CD2-CB 4.35Å; L684-F777 HydrophobicContact CD2-CD1 3.72Å; L684-F777 HydrophobicContact CD2-CD2 4.19Å; L684-F777 HydrophobicContact CD2-CE1 4.02Å; L684-F777 HydrophobicContact CD2-CE2 4.44Å; L684-F777 HydrophobicContact CD2-CG 3.82Å; L684-F777 HydrophobicContact CD2-CZ 4.36Å; L684-F777 HydrophobicContact CG-CG 4.43Å; M688-F777 HydrophobicContact CE-CB 3.5Å; D694-F777 VanDerWaalsContact CA-O 3.31Å; D694-F777 WeakPolarHBondContact CA-O 3.49Å; I695-F777 PolarHBondContact N-O 2.8Å; I695-F777 PolarHBondContact O-N 2.82Å; F697-F777 HydrophobicContact CB-CE2 4.3Å; F697-F777 HydrophobicContact CD2-CE2 4.02Å; F697-F777 HydrophobicContact CG-CE2 4.07Å; W746-F777 HydrophobicContact CH2-CZ 4.33Å; W746-F777 AromaticContact CZ3-CE1 3.67Å; W746-F777 HydrophobicContact CZ3-CE1 3.67Å; W746-F777 AromaticContact CZ3-CZ 3.91Å; W746-F777 HydrophobicContact CZ3-CZ 3.91Å; Y749-F777 HydrophobicContact CE1-CE1 4.04Å; Y749-F777 AromaticContact CE1-CZ 3.7Å; Y749-F777 HydrophobicContact CE1-CZ 3.7Å; Y749-F777 HydrophobicContact CE2-CE1 4.18Å; Y749-F777 HydrophobicContact CE2-CZ 4.47Å; Y749-F777 AromaticContact CZ-CE1 3.81Å; Y749-F777 AromaticContact CZ-CZ 3.66Å; Y749-F777 WeakPolarHBondContact OH-CZ 3.31Å; E775-F777 HydrophobicContact CB-CD2 4.37Å; E775-F777 HydrophobicContact CB-CE2 3.74Å; E775-F777 HydrophobicContact CB-CZ 4.23Å; E775-F777 VanDerWaalsContact OE2-CZ 3.29Å; E775-F777 WeakPolarHBondContact OE2-CZ 3.09Å; F777-V791 HydrophobicContact CD1-CB 4.48Å; F777-C793 HydrophobicContact CD1-CB 3.66Å; F777-C793 HydrophobicContact CE1-CB 3.68Å; F777-C793 HydrophobicContact CG-CB 4.46Å
778Y95.1Very high89.2Confident63 Ų6351.9 Ų51.925%0.24726%0.262CS..PPolyproline II helixtrans-71.8139.3176.7-65.3-86.5000110.2M688 D694 N780 V792 E794M688-Y778 WeakPolarHBondContact CE-O 3.47Å; D694-Y778 WeakPolarHBondContact OD1-CA 3.41Å; Y778-N780 PolarHBondContact O-N 2.79Å; Y778-V792 HydrophobicContact CD2-CB 4.05Å; Y778-V792 HydrophobicContact CD2-CG1 3.65Å; Y778-V792 HydrophobicContact CE2-CG1 4.2Å; Y778-V792 HydrophobicContact CG-CG1 4.45Å; Y778-V792 PolarHBondContact N-O 2.89Å; Y778-E794 HydrophobicContact CE2-CB 4.14Å; Y778-E794 PolarHBondContact OH-OE2 3.44Å
779Y92.3Very high89Confident59 Ų5953.6 Ų53.623%0.23127%0.273CS..PPolyproline II helixtrans-57.3125.9176.6-179.9-110.8000110.8M688 K692 D694 E781M688-Y779 HydrophobicContact CB-CD2 4.43Å; K692-Y779 HydrophobicContact CB-CE2 4.26Å; D694-Y779 PolarHBondContact OD1-N 2.89Å; Y779-E781 HydrophobicContact CD1-CG 4.41Å; Y779-E781 HydrophobicContact CE1-CG 3.44Å; Y779-E781 VanDerWaalsContact CE1-CG 3.44Å
780N89.4Confident89Confident41 Ų4156.1 Ų56.122%0.21929%0.285CS..  trans-130.6111.9177.3-176.9-2.4000108.9Y778 D782 F783 V784 D790Y778-N780 PolarHBondContact O-N 2.79Å; N780-D782 VanDerWaalsContact C-N 3.27Å; N780-D782 PolarHBondContact O-N 2.87Å; N780-D782 WeakPolarHBondContact OD1-CB 3.41Å; N780-D782 PolarHBondContact OD1-N 2.79Å; N780-F783 HydrophobicContact CB-CB 3.96Å; N780-F783 PolarHBondContact O-N 3.48Å; N780-V784 PolarHBondContact O-N 3.29Å; N780-D790 PolarHBondContact ND2-O 3.1Å; N780-D790 VanDerWaalsContact ND2-O 3.15Å
781E85.4Confident89.3Confident114 Ų11451.7 Ų51.753%0.53326%0.262SS..Hα-helixtrans-59.4-38.5177.7-71.8-178.7176.100111.7Y779 F783 V784 E785Y779-E781 HydrophobicContact CD1-CG 4.41Å; Y779-E781 HydrophobicContact CE1-CG 3.44Å; Y779-E781 VanDerWaalsContact CE1-CG 3.44Å; E781-F783 PolarHBondContact O-N 3.14Å; E781-V784 PolarHBondContact O-N 2.91Å; E781-E785 WeakPolarHBondContact O-CB 3.47Å; E781-E785 PolarHBondContact O-N 3.41Å
782D86.5Confident89.6Confident75 Ų7551.7 Ų51.740%0.40126%0.255SS..Hα-helixtrans-66.6-38.2-178.4-72.1-22.4000112N780 V784 K786 D787 G788N780-D782 VanDerWaalsContact C-N 3.27Å; N780-D782 PolarHBondContact O-N 2.87Å; N780-D782 WeakPolarHBondContact OD1-CB 3.41Å; N780-D782 PolarHBondContact OD1-N 2.79Å; D782-V784 VanDerWaalsContact C-N 3.29Å; D782-V784 PolarHBondContact O-N 2.91Å; D782-K786 CarbonylContact O-C 3.59Å; D782-K786 WeakPolarHBondContact O-CB 3.35Å; D782-K786 PolarHBondContact O-N 2.87Å; D782-K786 VanDerWaalsContact OD1-CD 3.3Å; D782-K786 WeakPolarHBondContact OD1-CD 3.33Å; D782-K786 VanDerWaalsContact OD1-CE 3.22Å; D782-K786 WeakPolarHBondContact OD1-CE 3.34Å; D782-K786 IonicContact OD1-NZ 2.78Å; D782-K786 PolarHBondContact OD1-NZ 2.96Å; D782-D787 PolarHBondContact O-N 3.27Å; D782-G788 WeakPolarHBondContact O-CA 3.29Å; D782-G788 PolarHBondContact O-N 3.49Å
783F87Confident89.7Confident3 Ų351.1 Ų51.11%0.01325%0.251CS..Hα-helixtrans-62.8-36.3176.7-177-97.5000112.2R681 L684 A685 M688 W746 N780 E781 G788 V791R681-F783 HydrophobicContact CG-CZ 3.99Å; L684-F783 HydrophobicContact CD2-CE1 4.02Å; L684-F783 HydrophobicContact CD2-CZ 4.06Å; L684-F783 HydrophobicContact CG-CE1 4.11Å; A685-F783 HydrophobicContact CB-CE1 4.13Å; M688-F783 HydrophobicContact SD-CD1 3.83Å; M688-F783 HydrophobicContact SD-CE1 4.25Å; W746-F783 HydrophobicContact CB-CE2 4.47Å; N780-F783 HydrophobicContact CB-CB 3.96Å; N780-F783 PolarHBondContact O-N 3.48Å; E781-F783 PolarHBondContact O-N 3.14Å; F783-G788 WeakPolarHBondContact CD2-O 3.39Å; F783-V791 HydrophobicContact CD2-CG1 3.46Å; F783-V791 VanDerWaalsContact CD2-CG1 3.46Å; F783-V791 HydrophobicContact CE1-CG1 4.46Å; F783-V791 HydrophobicContact CE2-CG1 3.29Å; F783-V791 HydrophobicContact CG-CG1 4.14Å; F783-V791 HydrophobicContact CZ-CG1 3.84Å
784V82.9Confident89.7Confident30 Ų3051.7 Ų51.718%0.18225%0.254CS..Hα-helixtrans-92.1-46-174.4-179.10000112.7M688 K689 N780 E781 D782M688-V784 HydrophobicContact CB-CG2 3.48Å; M688-V784 VanDerWaalsContact CB-CG2 3.48Å; M688-V784 HydrophobicContact CG-CG2 4.39Å; M688-V784 HydrophobicContact SD-CG2 4.08Å; K689-V784 HydrophobicContact CB-CG1 3.67Å; K689-V784 HydrophobicContact CG-CG1 4.1Å; N780-V784 PolarHBondContact O-N 3.29Å; E781-V784 PolarHBondContact O-N 2.91Å; D782-V784 VanDerWaalsContact C-N 3.29Å; D782-V784 PolarHBondContact O-N 2.91Å
785E78.7Confident89.8Confident130 Ų13051.6 Ų51.661%0.60725%0.254SS*.Hα-helixtrans-91.6-30.6-169.9-59.2-164.116400112.7E781E781-E785 WeakPolarHBondContact O-CB 3.47Å; E781-E785 PolarHBondContact O-N 3.41Å
786K80.9Confident89.8Confident157 Ų15751.8 Ų51.868%0.68325%0.254SS*.SBendtrans-104.45.6178.9-58.4-179.3-172.61540113.3D782 G788D782-K786 CarbonylContact O-C 3.59Å; D782-K786 WeakPolarHBondContact O-CB 3.35Å; D782-K786 PolarHBondContact O-N 2.87Å; D782-K786 VanDerWaalsContact OD1-CD 3.3Å; D782-K786 WeakPolarHBondContact OD1-CD 3.33Å; D782-K786 VanDerWaalsContact OD1-CE 3.22Å; D782-K786 WeakPolarHBondContact OD1-CE 3.34Å; D782-K786 IonicContact OD1-NZ 2.78Å; D782-K786 PolarHBondContact OD1-NZ 2.96Å; K786-G788 PolarHBondContact O-N 2.8Å
787D79.3Confident89.7Confident120 Ų12048.3 Ų48.364%0.64224%0.241SC*.  trans49.838.8-169.9-16217.2000112R681 D782R681-D787 IonicContact CZ-OD1 3.23Å; R681-D787 IonicContact NH2-OD1 2.8Å; R681-D787 PolarHBondContact NH2-OD1 2.92Å; D782-D787 PolarHBondContact O-N 3.27Å
788G83.6Confident89.7Confident22 Ų2248.5 Ų48.523%0.22724%0.243CC..  trans-60.6152.6175.600000111.3R681 D782 F783 K786R681-G788 PolarHBondContact NH2-O 2.99Å; D782-G788 WeakPolarHBondContact O-CA 3.29Å; D782-G788 PolarHBondContact O-N 3.49Å; F783-G788 WeakPolarHBondContact CD2-O 3.39Å; K786-G788 PolarHBondContact O-N 2.8Å
789N88.2Confident89.7Confident55 Ų5545.8 Ų45.829%0.29423%0.232SC..  trans-93.9-13-179.6-104.5-0.6000114R681 W746R681-N789 PolarHBondContact NH1-OD1 3.42Å; R681-N789 PolarHBondContact NH2-OD1 2.93Å; R681-N789 VanDerWaalsContact NH2-OD1 3.11Å; W746-N789 VanDerWaalsContact CB-O 3.24Å; W746-N789 WeakPolarHBondContact CB-O 3.43Å; W746-N789 PolarHBondContact N-O 3.03Å
790D92.5Very high89.7Confident92 Ų9247.4 Ų47.449%0.49224%0.238SC..EExtended strand (participates in β ladder)trans-89.7136.6-173-63.5-40.2000112.8G744 N745 N780G744-D790 CarbonylContact O-C 3.57Å; G744-D790 WeakPolarHBondContact O-CA 3.4Å; N745-D790 VanDerWaalsContact CA-OD1 3.24Å; N745-D790 WeakPolarHBondContact CA-OD1 3.34Å; N745-D790 PolarHBondContact N-OD1 3.02Å; N745-D790 VanDerWaalsContact N-OD1 3.14Å; N780-D790 PolarHBondContact ND2-O 3.1Å; N780-D790 VanDerWaalsContact ND2-O 3.15Å
791V93.1Very high89.5Confident4 Ų449.5 Ų49.52%0.02425%0.254CS..EExtended strand (participates in β ladder)trans-126.5149.8177.6-65.30000110.8L684 Y742 E743 G744 W746 F777 F783L684-V791 HydrophobicContact CD2-CG1 4.43Å; Y742-V791 HydrophobicContact CD1-CG2 4.18Å; Y742-V791 HydrophobicContact CE1-CG2 4.09Å; E743-V791 WeakPolarHBondContact CA-O 3.3Å; G744-V791 PolarHBondContact N-O 2.79Å; G744-V791 VanDerWaalsContact N-O 3.1Å; G744-V791 PolarHBondContact O-N 2.87Å; W746-V791 HydrophobicContact CE3-CG1 3.92Å; W746-V791 HydrophobicContact CE3-CG2 3.97Å; F777-V791 HydrophobicContact CD1-CB 4.48Å; F783-V791 HydrophobicContact CD2-CG1 3.46Å; F783-V791 VanDerWaalsContact CD2-CG1 3.46Å; F783-V791 HydrophobicContact CE1-CG1 4.46Å; F783-V791 HydrophobicContact CE2-CG1 3.29Å; F783-V791 HydrophobicContact CG-CG1 4.14Å; F783-V791 HydrophobicContact CZ-CG1 3.84Å
792V94.4Very high89.3Confident29 Ų2949 Ų4918%0.17626%0.258CS..EExtended strand (participates in β ladder)trans-111.7122.9166.2-1710000107.2Y742 E743 Y778Y742-V792 WeakPolarHBondContact O-CA 3.49Å; E743-V792 HydrophobicContact CG-CG2 4.08Å; Y778-V792 HydrophobicContact CD2-CB 4.05Å; Y778-V792 HydrophobicContact CD2-CG1 3.65Å; Y778-V792 HydrophobicContact CE2-CG1 4.2Å; Y778-V792 HydrophobicContact CG-CG1 4.45Å; Y778-V792 PolarHBondContact N-O 2.89Å
793C95.2Very high89.4Confident0 Ų047.7 Ų47.70%025%0.251CS..EExtended strand (participates in β ladder)trans-133.5139.8-178-1750000111.1R741 Y742 Y749 R776 F777R741-C793 CarbonylContact C-O 3.59Å; R741-C793 WeakPolarHBondContact CA-O 3.44Å; Y742-C793 PolarHBondContact N-O 2.68Å; Y742-C793 PolarHBondContact O-N 3.44Å; Y749-C793 HydrophobicContact CE2-CB 3.78Å; Y749-C793 PolarHBondContact OH-SG 3.25Å; R776-C793 CarbonylContact O-C 3.53Å; R776-C793 WeakPolarHBondContact O-CA 3.25Å; F777-C793 HydrophobicContact CD1-CB 3.66Å; F777-C793 HydrophobicContact CE1-CB 3.68Å; F777-C793 HydrophobicContact CG-CB 4.46Å
794E95.9Very high89.5Confident13 Ų1350.1 Ų50.16%0.06126%0.264CS..EExtended strand (participates in β ladder)trans-111.1118162.7-167.2174.4-162.400109.3R648 S739 F740 R776 Y778 F796R648-E794 IonicContact CZ-OE1 3.87Å; R648-E794 IonicContact NH2-OE1 3.98Å; R648-E794 PolarHBondContact NH2-OE1 2.78Å; S739-E794 PolarHBondContact OG-OE1 3.28Å; F740-E794 CarbonylContact O-C 3.43Å; F740-E794 WeakPolarHBondContact O-CA 3.22Å; R776-E794 PolarHBondContact N-O 3.18Å; R776-E794 PolarHBondContact O-N 3.47Å; Y778-E794 HydrophobicContact CE2-CB 4.14Å; Y778-E794 PolarHBondContact OH-OE2 3.44Å; E794-F796 HydrophobicContact CB-CE2 4.22Å; E794-F796 HydrophobicContact CB-CZ 4.03Å; E794-F796 HydrophobicContact CG-CE1 3.79Å; E794-F796 HydrophobicContact CG-CE2 4.05Å; E794-F796 HydrophobicContact CG-CZ 3.49Å; E794-F796 VanDerWaalsContact CG-CZ 3.49Å; E794-F796 WeakPolarHBondContact OE2-CZ 3.49Å
795I96Very high89.9Confident0 Ų051.2 Ų51.20%027%0.268CS..EExtended strand (participates in β ladder)trans-100.1136.2176.6-171.7171.8000110.3S739 F740 W752 V753 I756 I774 E775 I797S739-I795 CarbonylContact C-O 3.48Å; S739-I795 VanDerWaalsContact CA-O 3.27Å; S739-I795 WeakPolarHBondContact CA-O 3.19Å; F740-I795 HydrophobicContact CB-CG2 3.85Å; F740-I795 HydrophobicContact CD2-CG2 4.37Å; F740-I795 PolarHBondContact N-O 2.62Å; F740-I795 PolarHBondContact O-N 3.36Å; W752-I795 HydrophobicContact CH2-CG2 3.59Å; W752-I795 HydrophobicContact CZ3-CB 4.41Å; W752-I795 HydrophobicContact CZ3-CG2 3.66Å; V753-I795 HydrophobicContact CG1-CD1 3.87Å; V753-I795 HydrophobicContact CG2-CD1 4.13Å; I756-I795 HydrophobicContact CD1-CG2 3.5Å; I756-I795 VanDerWaalsContact CD1-CG2 3.5Å; I774-I795 CarbonylContact O-C 3.53Å; I774-I795 WeakPolarHBondContact O-CA 3.47Å; E775-I795 HydrophobicContact CG-CB 4.31Å; E775-I795 HydrophobicContact CG-CD1 3.93Å; E775-I795 HydrophobicContact CG-CG1 3.81Å; I795-I797 HydrophobicContact CD1-CD1 4.4Å; I795-I797 HydrophobicContact CD1-CG1 4.23Å; I795-I797 HydrophobicContact CG1-CG1 4.15Å
796F96.2Very high90.5Very high8 Ų846.5 Ų46.54%0.03525%0.248CC..EExtended strand (participates in β ladder)trans-118.6116.1177-48.3-84.9000108.6I650 F652 Y737 A738 I774 R776 E794I650-F796 HydrophobicContact CD1-CD1 3.46Å; I650-F796 VanDerWaalsContact CD1-CD1 3.46Å; I650-F796 HydrophobicContact CD1-CE1 3.38Å; I650-F796 HydrophobicContact CG1-CD1 4.29Å; F652-F796 HydrophobicContact CD2-CB 4.41Å; F652-F796 AromaticContact CD2-CD1 3.94Å; F652-F796 HydrophobicContact CD2-CD1 3.94Å; F652-F796 HydrophobicContact CD2-CD2 4.31Å; F652-F796 HydrophobicContact CD2-CE1 4.25Å; F652-F796 AromaticContact CD2-CG 3.96Å; F652-F796 HydrophobicContact CD2-CG 3.96Å; F652-F796 HydrophobicContact CE2-CD1 4.12Å; F652-F796 AromaticContact CE2-CD2 3.79Å; F652-F796 HydrophobicContact CE2-CD2 3.79Å; F652-F796 HydrophobicContact CE2-CE1 4.16Å; F652-F796 AromaticContact CE2-CE2 3.85Å; F652-F796 HydrophobicContact CE2-CE2 3.85Å; F652-F796 AromaticContact CE2-CG 3.91Å; F652-F796 HydrophobicContact CE2-CG 3.91Å; F652-F796 HydrophobicContact CE2-CZ 4.02Å; Y737-F796 HydrophobicContact CD1-CB 3.71Å; Y737-F796 HydrophobicContact CG-CB 4.24Å; A738-F796 WeakPolarHBondContact O-CA 3.4Å; I774-F796 HydrophobicContact CB-CB 4.2Å; I774-F796 HydrophobicContact CB-CD2 4.15Å; I774-F796 HydrophobicContact CG2-CD2 4.1Å; I774-F796 PolarHBondContact N-O 3.45Å; I774-F796 WeakPolarHBondContact O-CD2 3.33Å; I774-F796 PolarHBondContact O-N 2.89Å; R776-F796 HydrophobicContact CB-CE2 4.07Å; E794-F796 HydrophobicContact CB-CE2 4.22Å; E794-F796 HydrophobicContact CB-CZ 4.03Å; E794-F796 HydrophobicContact CG-CE1 3.79Å; E794-F796 HydrophobicContact CG-CE2 4.05Å; E794-F796 HydrophobicContact CG-CZ 3.49Å; E794-F796 VanDerWaalsContact CG-CZ 3.49Å; E794-F796 WeakPolarHBondContact OE2-CZ 3.49Å
797I95.5Very high91.1Very high0 Ų039.6 Ų39.60%022%0.221CC..EExtended strand (participates in β ladder)trans-108.3128.9178.3-57173.9000108.7Y737 A738 I756 Y757 L761 R768 I795 V799Y737-I797 CarbonylContact C-O 3.5Å; Y737-I797 WeakPolarHBondContact CA-O 3.26Å; A738-I797 PolarHBondContact N-O 3.01Å; A738-I797 PolarHBondContact O-N 2.83Å; I756-I797 HydrophobicContact CB-CD1 4.35Å; I756-I797 HydrophobicContact CG2-CD1 3.45Å; I756-I797 VanDerWaalsContact CG2-CD1 3.45Å; Y757-I797 HydrophobicContact CD2-CD1 4.17Å; Y757-I797 HydrophobicContact CE2-CD1 3.67Å; Y757-I797 HydrophobicContact CE2-CG1 4.49Å; L761-I797 HydrophobicContact CD1-CD1 4.29Å; L761-I797 HydrophobicContact CD1-CG2 4.22Å; R768-I797 HydrophobicContact CB-CG2 4.47Å; R768-I797 HydrophobicContact CG-CG2 4.18Å; I795-I797 HydrophobicContact CD1-CD1 4.4Å; I795-I797 HydrophobicContact CD1-CG1 4.23Å; I795-I797 HydrophobicContact CG1-CG1 4.15Å; I797-V799 HydrophobicContact CG2-CG1 4.22Å; I797-V799 WeakPolarHBondContact O-CG1 3.39Å; I797-V799 PolarHBondContact O-N 2.93Å
798P95Very high91.9Very high4 Ų434.3 Ų34.33%0.02619%0.193CC..EExtended strand (participates in β ladder)trans-69.1124.317928.9-34000109.7Y737 R768 V769Y737-P798 HydrophobicContact CD1-CB 4.09Å; Y737-P798 VanDerWaalsContact CD1-N 3.34Å; Y737-P798 HydrophobicContact CE1-CB 3.66Å; Y737-P798 HydrophobicContact CE1-CG 4.1Å; Y737-P798 HydrophobicContact CE2-CB 4.4Å; R768-P798 CarbonylContact C-O 3.59Å; R768-P798 WeakPolarHBondContact CA-O 3.43Å; V769-P798 HydrophobicContact CG2-CB 3.72Å; V769-P798 HydrophobicContact CG2-CG 4.5Å; V769-P798 PolarHBondContact N-O 2.9Å
799V95Very high92.5Very high5 Ų535.1 Ų35.13%0.0319%0.191CC..EExtended strand (participates in β ladder)trans-137.3161.8-171.5-660000113.8L649 L736 A738 L761 L766 A767 I797L649-V799 HydrophobicContact CD2-CG2 4.01Å; L736-V799 HydrophobicContact CG-CG2 4.35Å; L736-V799 PolarHBondContact O-N 2.72Å; A738-V799 HydrophobicContact CB-CG1 3.98Å; A738-V799 HydrophobicContact CB-CG2 3.88Å; L761-V799 HydrophobicContact CD1-CG1 4.44Å; L761-V799 HydrophobicContact CD2-CG1 3.86Å; L766-V799 HydrophobicContact CB-CB 4.41Å; L766-V799 HydrophobicContact CB-CG1 4.41Å; L766-V799 HydrophobicContact CD2-CG2 4.39Å; A767-V799 CarbonylContact O-C 3.57Å; A767-V799 WeakPolarHBondContact O-CA 3.13Å; A767-V799 WeakPolarHBondContact O-CB 3.44Å; I797-V799 HydrophobicContact CG2-CG1 4.22Å; I797-V799 WeakPolarHBondContact O-CG1 3.39Å; I797-V799 PolarHBondContact O-N 2.93Å
800R92.4Very high92.9Very high94 Ų9433.6 Ų33.636%0.35518%0.183SC..EExtended strand (participates in β ladder)trans-133151.6164.261.9179.7-82.8179.8-6.4109.9L766 A767 V769L766-R800 WeakPolarHBondContact CA-O 3.5Å; A767-R800 HydrophobicContact CB-CG 3.99Å; A767-R800 PolarHBondContact N-O 2.92Å; A767-R800 PolarHBondContact O-N 3.03Å; V769-R800 HydrophobicContact CG1-CB 3.83Å; V769-R800 HydrophobicContact CG1-CG 3.57Å
801P86.8Confident92.9Very high84 Ų8428.8 Ų28.855%0.54516%0.157SC..EExtended strand (participates in β ladder)trans-60.1142.5163-19.232.3000110.8
802V79.1Confident92.9Very high104 Ų10431 Ų3163%0.6317%0.169SC*.  trans-94.10174.2-177.80000110.9A631 G765 A767A631-V802 HydrophobicContact CB-CG1 4.47Å; G765-V802 PolarHBondContact O-N 3.48Å; A767-V802 HydrophobicContact CB-CG2 3.27Å

Retrieved 802 of 802 residues in 429.7 ms (Link to these results)

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