A0A077ZI17_TRITR Loading...

Peptidase M14 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZI17, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 171 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
1F80.9Confident95.9Very high157 Ų15754.6 Ų54.669%0.68929%0.288SS*.  0160.30-65.1-80.4000109.7G110 D111F1-G110 CarbonylContact C-O 3.54Å; F1-G110 CarbonylContact O-C 3.59Å; F1-G110 VanDerWaalsContact O-O 3.06Å; F1-D111 WeakPolarHBondContact O-CA 3.43Å
2R96.8Very high95.9Very high41 Ų4152.8 Ų52.816%0.15529%0.292CS..  trans-117.520.9-178.8-61.4-64.8-179.5-101.8-5.6112.7G12 T13 C23 Y106 S109 G110R2-G12 PolarHBondContact NE-O 3.1Å; R2-T13 WeakPolarHBondContact CB-OG1 3.43Å; R2-C23 HydrophobicContact CB-CB 4.22Å; R2-C23 WeakPolarHBondContact O-CA 3.3Å; R2-C23 VanDerWaalsContact O-CB 3.23Å; R2-C23 WeakPolarHBondContact O-CB 3.2Å; R2-Y106 PolarHBondContact NH2-OH 3.33Å; R2-S109 WeakPolarHBondContact CD-O 3.48Å; R2-G110 CarbonylContact C-O 3.53Å; R2-G110 VanDerWaalsContact CA-O 3.31Å; R2-G110 WeakPolarHBondContact CA-O 3.3Å
3N98.4Very high96Very high7 Ų750.9 Ų50.94%0.03728%0.283CS..  trans-114.7-0.7-165.8-170.4-107.9000114.8C23 R26 F28 S29 E30 T33 G110N3-C23 PolarHBondContact ND2-O 2.89Å; N3-R26 PolarHBondContact ND2-O 2.96Å; N3-R26 VanDerWaalsContact ND2-O 3.12Å; N3-F28 PolarHBondContact O-N 2.89Å; N3-F28 WeakPolarHBondContact OD1-CA 3.46Å; N3-F28 PolarHBondContact OD1-N 2.87Å; N3-S29 PolarHBondContact ND2-OG 3.39Å; N3-S29 PolarHBondContact OD1-N 2.82Å; N3-E30 HydrophobicContact CB-CG 4.45Å; N3-E30 PolarHBondContact OD1-N 2.89Å; N3-T33 HydrophobicContact CB-CG2 4.22Å; N3-T33 PolarHBondContact OD1-OG1 3.28Å; N3-G110 PolarHBondContact N-O 3.21Å
4F98.5Very high96.1Very high2 Ų249.4 Ų49.41%0.00928%0.277CS..SBendtrans-77152.5174.3-74.2-107.6000111.1V6 F28 T33 L36 G110 A112 W115F4-V6 HydrophobicContact CB-CG1 4.38Å; F4-V6 PolarHBondContact O-N 3.36Å; F4-F28 HydrophobicContact CB-CE1 4.08Å; F4-F28 HydrophobicContact CB-CZ 4.36Å; F4-F28 AromaticContact CD1-CE1 3.48Å; F4-F28 HydrophobicContact CD1-CE1 3.48Å; F4-F28 VanDerWaalsContact CD1-CE1 3.48Å; F4-F28 HydrophobicContact CD1-CZ 4.04Å; F4-F28 AromaticContact CE1-CE1 4Å; F4-F28 HydrophobicContact CE1-CE1 4Å; F4-F28 AromaticContact CG-CE1 3.88Å; F4-F28 HydrophobicContact CG-CE1 3.88Å; F4-T33 HydrophobicContact CD2-CG2 4.24Å; F4-T33 HydrophobicContact CE2-CG2 3.62Å; F4-T33 HydrophobicContact CZ-CG2 4.2Å; F4-L36 HydrophobicContact CZ-CD2 4.04Å; F4-L36 HydrophobicContact CZ-CG 4.49Å; F4-G110 WeakPolarHBondContact CB-O 3.22Å; F4-G110 PolarHBondContact N-O 3.08Å; F4-G110 VanDerWaalsContact O-CA 3.32Å; F4-G110 WeakPolarHBondContact O-CA 3.44Å; F4-A112 HydrophobicContact CD1-CB 4.08Å; F4-A112 HydrophobicContact CD2-CB 3.92Å; F4-A112 HydrophobicContact CE1-CB 3.72Å; F4-A112 HydrophobicContact CE2-CB 3.54Å; F4-A112 HydrophobicContact CG-CB 4.2Å; F4-A112 HydrophobicContact CZ-CB 3.45Å; F4-A112 VanDerWaalsContact CZ-CB 3.45Å; F4-W115 HydrophobicContact CB-CB 3.74Å; F4-W115 HydrophobicContact CB-CG 4.11Å; F4-W115 HydrophobicContact CD1-CB 3.88Å; F4-W115 AromaticContact CD1-CD2 3.98Å; F4-W115 HydrophobicContact CD1-CD2 3.98Å; F4-W115 AromaticContact CD1-CE3 3.96Å; F4-W115 HydrophobicContact CD1-CE3 3.96Å; F4-W115 AromaticContact CD1-CG 3.94Å; F4-W115 HydrophobicContact CD1-CG 3.94Å; F4-W115 HydrophobicContact CE1-CE3 4.29Å; F4-W115 HydrophobicContact CG-CB 4.2Å
5D98Very high96Very high88 Ų8853.7 Ų53.747%0.47131%0.305SS..SBendtrans-78.758.8-177.9-166.123.7000112.7A27 F28 F119D5-A27 HydrophobicContact CB-CB 3.63Å; D5-F28 HydrophobicContact CB-CD2 3.95Å; D5-F28 HydrophobicContact CB-CE2 3.3Å; D5-F28 HydrophobicContact CB-CZ 3.9Å; D5-F119 WeakPolarHBondContact O-CE2 3.36Å
6V97.8Very high96.1Very high1 Ų153.8 Ų53.81%0.00631%0.31CS..SBendtrans-136.1108.717660.90000109.2F4 F8 Y66 G110 D111 D114 W115 K118 F119F4-V6 HydrophobicContact CB-CG1 4.38Å; F4-V6 PolarHBondContact O-N 3.36Å; V6-F8 PolarHBondContact O-N 3.42Å; V6-F8 VanDerWaalsContact O-N 3.1Å; V6-Y66 HydrophobicContact CG2-CD1 3.73Å; V6-Y66 HydrophobicContact CG2-CE1 3.75Å; V6-G110 WeakPolarHBondContact O-CA 3.35Å; V6-G110 PolarHBondContact O-N 3.09Å; V6-D111 WeakPolarHBondContact CG1-O 3.35Å; V6-D114 HydrophobicContact CG1-CB 3.85Å; V6-D114 HydrophobicContact CG2-CB 4.11Å; V6-W115 HydrophobicContact CB-CB 4.03Å; V6-W115 HydrophobicContact CG1-CB 3.75Å; V6-K118 HydrophobicContact CG2-CD 3.91Å; V6-F119 HydrophobicContact CB-CD2 4.49Å; V6-F119 HydrophobicContact CB-CE2 3.99Å; V6-F119 HydrophobicContact CG2-CE2 4.09Å
7E97.3Very high96.1Very high73 Ų7356.3 Ų56.334%0.34133%0.328SS..SBendtrans47.937.3-170.6-53-52.814100112.1G9 V10 Y66 S109 K118E7-G9 PolarHBondContact O-N 3.14Å; E7-V10 HydrophobicContact CB-CB 4.09Å; E7-V10 HydrophobicContact CB-CG2 4.09Å; E7-V10 WeakPolarHBondContact O-CB 3.42Å; E7-V10 WeakPolarHBondContact O-CG2 3.39Å; E7-V10 PolarHBondContact O-N 3.46Å; E7-Y66 HydrophobicContact CB-CD2 4.42Å; E7-Y66 HydrophobicContact CB-CG 4.1Å; E7-Y66 HydrophobicContact CG-CD1 3.77Å; E7-Y66 HydrophobicContact CG-CD2 3.41Å; E7-Y66 VanDerWaalsContact CG-CD2 3.41Å; E7-Y66 HydrophobicContact CG-CE1 4.14Å; E7-Y66 HydrophobicContact CG-CE2 3.82Å; E7-Y66 HydrophobicContact CG-CG 3.38Å; E7-S109 WeakPolarHBondContact O-CB 3.49Å; E7-S109 PolarHBondContact O-OG 3.11Å; E7-S109 VanDerWaalsContact O-OG 3.07Å; E7-K118 IonicContact OE1-NZ 3.44Å; E7-K118 PolarHBondContact OE1-NZ 3.38Å
8F97.6Very high96.2Very high51 Ų5160 Ų6022%0.22436%0.356CS..THydrogen-bonded Turntrans-54.5127.6-170.5176.5-91.2000111.8V6 V10 C23 R26 A27V6-F8 PolarHBondContact O-N 3.42Å; V6-F8 VanDerWaalsContact O-N 3.1Å; F8-V10 PolarHBondContact O-N 3.17Å; F8-C23 HydrophobicContact CD2-CB 4.41Å; F8-C23 HydrophobicContact CE1-CB 4.5Å; F8-C23 HydrophobicContact CE2-CB 3.72Å; F8-C23 WeakPolarHBondContact CE2-O 3.3Å; F8-C23 HydrophobicContact CZ-CB 3.75Å; F8-C23 WeakPolarHBondContact CZ-O 3.48Å; F8-R26 WeakPolarHBondContact CZ-O 3.46Å; F8-A27 HydrophobicContact CB-CB 4.14Å; F8-A27 HydrophobicContact CD1-CB 4.46Å; F8-A27 HydrophobicContact CD2-CB 3.72Å; F8-A27 HydrophobicContact CE2-CB 4.22Å; F8-A27 HydrophobicContact CG-CB 3.85Å
9G96Very high96.2Very high32 Ų3258.8 Ų58.833%0.3335%0.352SS..THydrogen-bonded Turntrans75.13.9179.300000115.5E7E7-G9 PolarHBondContact O-N 3.14Å
10V96.8Very high96.2Very high92 Ų9268.1 Ų68.156%0.55838%0.382SS*.THydrogen-bonded Turntrans-85.3-57.5-170.8178.60000113.2E7 F8E7-V10 HydrophobicContact CB-CB 4.09Å; E7-V10 HydrophobicContact CB-CG2 4.09Å; E7-V10 WeakPolarHBondContact O-CB 3.42Å; E7-V10 WeakPolarHBondContact O-CG2 3.39Å; E7-V10 PolarHBondContact O-N 3.46Å; F8-V10 PolarHBondContact O-N 3.17Å
11T96.6Very high96.2Very high57 Ų5768.4 Ų68.435%0.3538%0.382SS..SBendtrans-135.8148.2-173-67.70000111.7T13 P107 S109T11-T13 PolarHBondContact O-N 3.08Å; T11-T13 VanDerWaalsContact O-N 3.15Å; T11-P107 HydrophobicContact CG2-CB 3.52Å; T11-S109 PolarHBondContact N-OG 3.11Å; T11-S109 WeakPolarHBondContact O-CB 3.33Å; T11-S109 PolarHBondContact O-N 2.84Å; T11-S109 PolarHBondContact O-OG 2.88Å
12G96.4Very high97Very high32 Ų3264.6 Ų64.633%0.3336%0.364SS..SBendtrans58.731.4174.400000114.9R2 P107R2-G12 PolarHBondContact NE-O 3.1Å; G12-P107 WeakPolarHBondContact CA-O 3.39Å
13T96.9Very high97.1Very high29 Ų2962.8 Ų62.818%0.17836%0.357CS..  trans-143.1175-176.9-169.30000110.7R2 T11 I21 C23R2-T13 WeakPolarHBondContact CB-OG1 3.43Å; T11-T13 PolarHBondContact O-N 3.08Å; T11-T13 VanDerWaalsContact O-N 3.15Å; T13-I21 PolarHBondContact OG1-O 3.35Å; T13-C23 WeakPolarHBondContact OG1-CB 3.38Å
14S96.9Very high97.1Very high29 Ų2962.8 Ų62.820%0.20336%0.358CS..BIsolated β-bridgetrans-133.7148.1175.5-171.20000112S16 S19 I21 Y22 C23S14-S16 PolarHBondContact OG-N 2.94Å; S14-S16 VanDerWaalsContact OG-N 3.13Å; S14-S19 VanDerWaalsContact CB-CB 3.45Å; S14-S19 VanDerWaalsContact CB-OG 3.31Å; S14-S19 WeakPolarHBondContact CB-OG 3.48Å; S14-S19 WeakPolarHBondContact OG-CB 3.34Å; S14-I21 PolarHBondContact N-O 3.21Å; S14-Y22 CarbonylContact O-C 3.56Å; S14-Y22 VanDerWaalsContact O-CA 3.31Å; S14-Y22 WeakPolarHBondContact O-CA 3.45Å; S14-Y22 WeakPolarHBondContact O-CD2 3.43Å; S14-C23 PolarHBondContact O-N 3.16Å; S14-C23 PolarHBondContact O-SG 3.26Å
15V95.3Very high97Very high115 Ų11567.5 Ų67.570%0.69739%0.389SS*.SBendtrans-93.5-2.9169-61.20000112.7P17 Y22V15-P17 WeakPolarHBondContact O-CD 3.32Å; V15-Y22 VanDerWaalsContact O-CE2 3.31Å; V15-Y22 WeakPolarHBondContact O-CE2 3.42Å
16S96.8Very high97Very high55 Ų5569.9 Ų69.939%0.38539%0.392SS..  trans-81.1122.1176.7-1790000110.2S14 C18 S19 Y22S14-S16 PolarHBondContact OG-N 2.94Å; S14-S16 VanDerWaalsContact OG-N 3.13Å; S16-C18 PolarHBondContact O-N 3.36Å; S16-C18 VanDerWaalsContact O-N 3.09Å; S16-S19 VanDerWaalsContact O-CB 3.29Å; S16-S19 WeakPolarHBondContact O-CB 3.45Å; S16-S19 PolarHBondContact O-N 3.45Å; S16-Y22 VanDerWaalsContact C-CD2 3.49Å; S16-Y22 WeakPolarHBondContact O-CB 3.48Å; S16-Y22 VanDerWaalsContact O-CD2 3.31Å; S16-Y22 WeakPolarHBondContact O-CD2 3.25Å
17P97.1Very high97Very high96 Ų9670.6 Ų70.662%0.62340%0.398SS*.THydrogen-bonded Turntrans-60.6-19.3177.6-25.535.7000114.6V15 S19 Y22V15-P17 WeakPolarHBondContact O-CD 3.32Å; P17-S19 VanDerWaalsContact C-N 3.31Å; P17-Y22 HydrophobicContact CB-CD1 4.46Å; P17-Y22 HydrophobicContact CB-CE1 4.21Å; P17-Y22 HydrophobicContact CG-CE1 4.42Å; P17-Y22 HydrophobicContact CG-CE2 4.19Å
18C97.4Very high97.1Very high123 Ų12368.6 Ų68.683%0.83139%0.388SS*.THydrogen-bonded Turntrans-85.5-3.1177.9-57.90000113.3S16S16-C18 PolarHBondContact O-N 3.36Å; S16-C18 VanDerWaalsContact O-N 3.09Å
19S97.2Very high97.1Very high38 Ų3867.3 Ų67.327%0.26639%0.385SS..SBendtrans-84.3139.6-179.2-173.70000111.8S14 S16 P17 I21 Y22S14-S19 VanDerWaalsContact CB-CB 3.45Å; S14-S19 VanDerWaalsContact CB-OG 3.31Å; S14-S19 WeakPolarHBondContact CB-OG 3.48Å; S14-S19 WeakPolarHBondContact OG-CB 3.34Å; S16-S19 VanDerWaalsContact O-CB 3.29Å; S16-S19 WeakPolarHBondContact O-CB 3.45Å; S16-S19 PolarHBondContact O-N 3.45Å; P17-S19 VanDerWaalsContact C-N 3.31Å; S19-I21 PolarHBondContact O-N 3.39Å; S19-I21 VanDerWaalsContact O-N 3.13Å; S19-I21 VanDerWaalsContact OG-CG1 3.28Å; S19-I21 WeakPolarHBondContact OG-CG1 3.16Å; S19-I21 PolarHBondContact OG-N 2.98Å; S19-Y22 WeakPolarHBondContact O-CB 3.46Å; S19-Y22 PolarHBondContact O-N 3.02Å; S19-Y22 VanDerWaalsContact O-N 3.09Å
20Y95.4Very high97.2Very high244 Ų24469.5 Ų69.596%0.95739%0.387SS*.THydrogen-bonded Turntrans-61.9-17.1171-65.4-70.6000114
21I96.9Very high97.3Very high75 Ų7568.6 Ų68.639%0.38538%0.383SS..THydrogen-bonded Turntrans-114.227.9177.759.4169.8000111.3T13 S14 S19 C23T13-I21 PolarHBondContact OG1-O 3.35Å; S14-I21 PolarHBondContact N-O 3.21Å; S19-I21 PolarHBondContact O-N 3.39Å; S19-I21 VanDerWaalsContact O-N 3.13Å; S19-I21 VanDerWaalsContact OG-CG1 3.28Å; S19-I21 WeakPolarHBondContact OG-CG1 3.16Å; S19-I21 PolarHBondContact OG-N 2.98Å; I21-C23 PolarHBondContact O-N 2.88Å
22Y97.9Very high97.4Very high77 Ų7772.2 Ų72.230%0.30240%0.396SS..BIsolated β-bridgetrans-58.2128.1175.2178.7-131.8000111S14 V15 S16 P17 S19 G24 P25S14-Y22 CarbonylContact O-C 3.56Å; S14-Y22 VanDerWaalsContact O-CA 3.31Å; S14-Y22 WeakPolarHBondContact O-CA 3.45Å; S14-Y22 WeakPolarHBondContact O-CD2 3.43Å; V15-Y22 VanDerWaalsContact O-CE2 3.31Å; V15-Y22 WeakPolarHBondContact O-CE2 3.42Å; S16-Y22 VanDerWaalsContact C-CD2 3.49Å; S16-Y22 WeakPolarHBondContact O-CB 3.48Å; S16-Y22 VanDerWaalsContact O-CD2 3.31Å; S16-Y22 WeakPolarHBondContact O-CD2 3.25Å; P17-Y22 HydrophobicContact CB-CD1 4.46Å; P17-Y22 HydrophobicContact CB-CE1 4.21Å; P17-Y22 HydrophobicContact CG-CE1 4.42Å; P17-Y22 HydrophobicContact CG-CE2 4.19Å; S19-Y22 WeakPolarHBondContact O-CB 3.46Å; S19-Y22 PolarHBondContact O-N 3.02Å; S19-Y22 VanDerWaalsContact O-N 3.09Å; Y22-G24 VanDerWaalsContact C-N 3.35Å; Y22-G24 VanDerWaalsContact CE1-CA 3.41Å; Y22-G24 VanDerWaalsContact CZ-C 3.46Å; Y22-G24 VanDerWaalsContact OH-C 3.24Å; Y22-P25 WeakPolarHBondContact OH-CD 3.34Å
23C97.8Very high97.5Very high3 Ų371.1 Ų71.12%0.0238%0.383CS..  trans-78.9-15.417953.30000114R2 N3 F8 T13 S14 I21R2-C23 HydrophobicContact CB-CB 4.22Å; R2-C23 WeakPolarHBondContact O-CA 3.3Å; R2-C23 VanDerWaalsContact O-CB 3.23Å; R2-C23 WeakPolarHBondContact O-CB 3.2Å; N3-C23 PolarHBondContact ND2-O 2.89Å; F8-C23 HydrophobicContact CD2-CB 4.41Å; F8-C23 HydrophobicContact CE1-CB 4.5Å; F8-C23 HydrophobicContact CE2-CB 3.72Å; F8-C23 WeakPolarHBondContact CE2-O 3.3Å; F8-C23 HydrophobicContact CZ-CB 3.75Å; F8-C23 WeakPolarHBondContact CZ-O 3.48Å; T13-C23 WeakPolarHBondContact OG1-CB 3.38Å; S14-C23 PolarHBondContact O-N 3.16Å; S14-C23 PolarHBondContact O-SG 3.26Å; I21-C23 PolarHBondContact O-N 2.88Å
24G97.7Very high97.5Very high6 Ų674.1 Ų74.16%0.06240%0.396CS..  trans92.8170.2-167.900000112.6Y22 R26Y22-G24 VanDerWaalsContact C-N 3.35Å; Y22-G24 VanDerWaalsContact CE1-CA 3.41Å; Y22-G24 VanDerWaalsContact CZ-C 3.46Å; Y22-G24 VanDerWaalsContact OH-C 3.24Å; G24-R26 VanDerWaalsContact C-N 3.32Å; G24-R26 PolarHBondContact O-N 3.32Å
25P97.4Very high97.6Very high101 Ų10176.4 Ų76.466%0.65641%0.412SS*.SBendtrans-73.3-20.5-178.328.1-36.5000114Y22 S29Y22-P25 WeakPolarHBondContact OH-CD 3.34Å; P25-S29 WeakPolarHBondContact CD-OG 3.5Å
26R98Very high97.8Very high138 Ų13873.8 Ų73.852%0.52139%0.394SS..SBendtrans-160.6163.8174.658.1172.3-179.273.82.2109.4N3 F8 G24 F28 S29N3-R26 PolarHBondContact ND2-O 2.96Å; N3-R26 VanDerWaalsContact ND2-O 3.12Å; F8-R26 WeakPolarHBondContact CZ-O 3.46Å; G24-R26 VanDerWaalsContact C-N 3.32Å; G24-R26 PolarHBondContact O-N 3.32Å; R26-F28 VanDerWaalsContact NH1-C 3.34Å; R26-F28 PolarHBondContact NH1-O 3.1Å; R26-S29 WeakPolarHBondContact O-CB 3.42Å; R26-S29 PolarHBondContact O-N 2.89Å; R26-S29 PolarHBondContact O-OG 3.02Å; R26-S29 VanDerWaalsContact O-OG 3.14Å
27A98.2Very high97.8Very high17 Ų1771.8 Ų71.814%0.1438%0.379CS..THydrogen-bonded Turntrans-57.5142.1170.100000110.9D5 F8 S29D5-A27 HydrophobicContact CB-CB 3.63Å; F8-A27 HydrophobicContact CB-CB 4.14Å; F8-A27 HydrophobicContact CD1-CB 4.46Å; F8-A27 HydrophobicContact CD2-CB 3.72Å; F8-A27 HydrophobicContact CE2-CB 4.22Å; F8-A27 HydrophobicContact CG-CB 3.85Å; A27-S29 PolarHBondContact O-N 3.3Å
28F98.2Very high97.9Very high30 Ų3069.9 Ų69.913%0.13237%0.372CS..THydrogen-bonded Turntrans52.438.8-176.2-53.7-57.8000113.4N3 F4 D5 R26 E30 M34 S37 W115N3-F28 PolarHBondContact O-N 2.89Å; N3-F28 WeakPolarHBondContact OD1-CA 3.46Å; N3-F28 PolarHBondContact OD1-N 2.87Å; F4-F28 HydrophobicContact CB-CE1 4.08Å; F4-F28 HydrophobicContact CB-CZ 4.36Å; F4-F28 AromaticContact CD1-CE1 3.48Å; F4-F28 HydrophobicContact CD1-CE1 3.48Å; F4-F28 VanDerWaalsContact CD1-CE1 3.48Å; F4-F28 HydrophobicContact CD1-CZ 4.04Å; F4-F28 AromaticContact CE1-CE1 4Å; F4-F28 HydrophobicContact CE1-CE1 4Å; F4-F28 AromaticContact CG-CE1 3.88Å; F4-F28 HydrophobicContact CG-CE1 3.88Å; D5-F28 HydrophobicContact CB-CD2 3.95Å; D5-F28 HydrophobicContact CB-CE2 3.3Å; D5-F28 HydrophobicContact CB-CZ 3.9Å; R26-F28 VanDerWaalsContact NH1-C 3.34Å; R26-F28 PolarHBondContact NH1-O 3.1Å; F28-E30 VanDerWaalsContact C-N 3.35Å; F28-M34 HydrophobicContact CB-CB 4.2Å; F28-S37 VanDerWaalsContact CE1-CB 3.41Å; F28-W115 HydrophobicContact CE2-CZ2 4.42Å; F28-W115 AromaticContact CE2-NE1 3.89Å; F28-W115 AromaticContact CZ-CD1 3.9Å; F28-W115 HydrophobicContact CZ-CD2 4.05Å; F28-W115 AromaticContact CZ-CE2 3.58Å; F28-W115 HydrophobicContact CZ-CG 4.25Å; F28-W115 AromaticContact CZ-CZ2 3.93Å; F28-W115 HydrophobicContact CZ-CZ2 3.93Å; F28-W115 AromaticContact CZ-NE1 3.49Å
29S98.3Very high98Very high24 Ų2469.5 Ų69.517%0.16836%0.357CS..  trans-73.1-30.7171.753.60000112.3N3 P25 R26 A27N3-S29 PolarHBondContact ND2-OG 3.39Å; N3-S29 PolarHBondContact OD1-N 2.82Å; P25-S29 WeakPolarHBondContact CD-OG 3.5Å; R26-S29 WeakPolarHBondContact O-CB 3.42Å; R26-S29 PolarHBondContact O-N 2.89Å; R26-S29 PolarHBondContact O-OG 3.02Å; R26-S29 VanDerWaalsContact O-OG 3.14Å; A27-S29 PolarHBondContact O-N 3.3Å
30E98.3Very high98Very high79 Ų7968 Ų6837%0.36935%0.345SS..SBendtrans-82.3133.9-178.9-47.2-44.111500109.9N3 F28 E32 T33 M34N3-E30 HydrophobicContact CB-CG 4.45Å; N3-E30 PolarHBondContact OD1-N 2.89Å; F28-E30 VanDerWaalsContact C-N 3.35Å; E30-E32 PolarHBondContact O-N 2.7Å; E30-T33 HydrophobicContact CB-CG2 4.4Å; E30-T33 PolarHBondContact O-N 3.44Å; E30-T33 PolarHBondContact O-OG1 3.25Å; E30-T33 VanDerWaalsContact O-OG1 3.05Å; E30-M34 WeakPolarHBondContact O-CB 3.27Å; E30-M34 PolarHBondContact O-N 3.16Å
31P98.5Very high98.2Very high72 Ų7260.3 Ų60.347%0.46832%0.317SS..Hα-helixtrans-60.7-29.3-179.123.3-31.7000112.6S35P31-S35 VanDerWaalsContact O-CB 3.23Å; P31-S35 WeakPolarHBondContact O-CB 3.37Å; P31-S35 PolarHBondContact O-N 2.69Å; P31-S35 PolarHBondContact O-OG 2.63Å
32E98.4Very high98.2Very high134 Ų13464.4 Ų64.463%0.62634%0.335SS*.Hα-helixtrans-67.2-48.1177.6-60.778.1-173.700111.8E30 S35 L36E30-E32 PolarHBondContact O-N 2.7Å; E32-S35 PolarHBondContact O-N 3.45Å; E32-L36 WeakPolarHBondContact O-CB 3.38Å; E32-L36 PolarHBondContact O-N 3.15Å
33T98.3Very high98.3Very high9 Ų962.4 Ų62.46%0.05533%0.329CS..Hα-helixtrans-71.8-37.2-179.960.10000111.1N3 F4 E30 S37N3-T33 HydrophobicContact CB-CG2 4.22Å; N3-T33 PolarHBondContact OD1-OG1 3.28Å; F4-T33 HydrophobicContact CD2-CG2 4.24Å; F4-T33 HydrophobicContact CE2-CG2 3.62Å; F4-T33 HydrophobicContact CZ-CG2 4.2Å; E30-T33 HydrophobicContact CB-CG2 4.4Å; E30-T33 PolarHBondContact O-N 3.44Å; E30-T33 PolarHBondContact O-OG1 3.25Å; E30-T33 VanDerWaalsContact O-OG1 3.05Å; T33-S37 WeakPolarHBondContact O-CB 3.23Å; T33-S37 PolarHBondContact O-N 3.49Å; T33-S37 PolarHBondContact O-OG 2.72Å
34M98.4Very high98.2Very high92 Ų9263.7 Ų63.745%0.45334%0.335SS..Hα-helixtrans-62.9-44.3174.2-175.2175.264.600111.9F28 E30 S37 A38F28-M34 HydrophobicContact CB-CB 4.2Å; E30-M34 WeakPolarHBondContact O-CB 3.27Å; E30-M34 PolarHBondContact O-N 3.16Å; M34-S37 PolarHBondContact O-OG 2.93Å; M34-A38 WeakPolarHBondContact O-CB 3.43Å; M34-A38 PolarHBondContact O-N 3.16Å; M34-A38 VanDerWaalsContact O-N 3.09Å
35S98.6Very high98.2Very high76 Ų7669.3 Ų69.353%0.53136%0.363SS..Hα-helixtrans-67.2-42.1179-60.20000111.6P31 E32 A38 F39P31-S35 VanDerWaalsContact O-CB 3.23Å; P31-S35 WeakPolarHBondContact O-CB 3.37Å; P31-S35 PolarHBondContact O-N 2.69Å; P31-S35 PolarHBondContact O-OG 2.63Å; E32-S35 PolarHBondContact O-N 3.45Å; S35-A38 PolarHBondContact O-N 3.19Å; S35-F39 WeakPolarHBondContact O-CB 3.22Å; S35-F39 PolarHBondContact O-N 2.98Å
36L98.4Very high98.1Very high61 Ų6172.5 Ų72.532%0.31937%0.367SS..Hα-helixtrans-64.9-43.9177.8179.655.7000111.8F4 E32 A38 F39 L40F4-L36 HydrophobicContact CZ-CD2 4.04Å; F4-L36 HydrophobicContact CZ-CG 4.49Å; E32-L36 WeakPolarHBondContact O-CB 3.38Å; E32-L36 PolarHBondContact O-N 3.15Å; L36-A38 PolarHBondContact O-N 3Å; L36-F39 PolarHBondContact O-N 3.29Å; L36-L40 HydrophobicContact CD1-CD1 3.76Å; L36-L40 HydrophobicContact CD1-CG 3.93Å; L36-L40 HydrophobicContact CG-CD1 3.8Å; L36-L40 HydrophobicContact CG-CG 4.42Å; L36-L40 WeakPolarHBondContact O-CB 3.25Å; L36-L40 VanDerWaalsContact O-CG 3.27Å; L36-L40 WeakPolarHBondContact O-CG 3.39Å; L36-L40 PolarHBondContact O-N 3.05Å
37S98.1Very high98.1Very high12 Ų1267.8 Ų67.88%0.08435%0.352CS..Hα-helixtrans-63.7-41.6178.668.90000111.8F28 T33 M34 L40 K41F28-S37 VanDerWaalsContact CE1-CB 3.41Å; T33-S37 WeakPolarHBondContact O-CB 3.23Å; T33-S37 PolarHBondContact O-N 3.49Å; T33-S37 PolarHBondContact O-OG 2.72Å; M34-S37 PolarHBondContact O-OG 2.93Å; S37-L40 PolarHBondContact O-N 3.42Å; S37-K41 VanDerWaalsContact O-CB 3.3Å; S37-K41 WeakPolarHBondContact O-CB 3.37Å; S37-K41 PolarHBondContact O-N 2.9Å
38A98.6Very high98Very high57 Ų5769.4 Ų69.447%0.47136%0.359SS..Hα-helixtrans-61.2-46.5174.900000112.1M34 S35 L36 K41 Q42M34-A38 WeakPolarHBondContact O-CB 3.43Å; M34-A38 PolarHBondContact O-N 3.16Å; M34-A38 VanDerWaalsContact O-N 3.09Å; S35-A38 PolarHBondContact O-N 3.19Å; L36-A38 PolarHBondContact O-N 3Å; A38-K41 PolarHBondContact O-N 3.48Å; A38-Q42 WeakPolarHBondContact O-CB 3.37Å; A38-Q42 PolarHBondContact O-N 2.88Å
39F98.7Very high98Very high115 Ų11569.3 Ų69.350%0.50436%0.364SS..Hα-helixtrans-61.5-47.9178.3176.2-92.7000112.2S35 L36 K41 Q42 N43 I47S35-F39 WeakPolarHBondContact O-CB 3.22Å; S35-F39 PolarHBondContact O-N 2.98Å; L36-F39 PolarHBondContact O-N 3.29Å; F39-K41 VanDerWaalsContact C-N 3.31Å; F39-K41 PolarHBondContact O-N 3.36Å; F39-Q42 PolarHBondContact O-N 3.28Å; F39-N43 PolarHBondContact O-N 2.98Å; F39-N43 VanDerWaalsContact O-N 3.16Å; F39-N43 PolarHBondContact O-ND2 3.45Å; F39-I47 HydrophobicContact CD1-CD1 4.49Å; F39-I47 HydrophobicContact CE1-CD1 3.96Å
40L98.5Very high98Very high6 Ų669.8 Ų69.83%0.03136%0.363CS..Hα-helixtrans-61.6-42.5179.3-71167.2000110.8L36 S37 N43 E44 I47 Y50 W115 V116 I122L36-L40 HydrophobicContact CD1-CD1 3.76Å; L36-L40 HydrophobicContact CD1-CG 3.93Å; L36-L40 HydrophobicContact CG-CD1 3.8Å; L36-L40 HydrophobicContact CG-CG 4.42Å; L36-L40 WeakPolarHBondContact O-CB 3.25Å; L36-L40 VanDerWaalsContact O-CG 3.27Å; L36-L40 WeakPolarHBondContact O-CG 3.39Å; L36-L40 PolarHBondContact O-N 3.05Å; S37-L40 PolarHBondContact O-N 3.42Å; L40-N43 CarbonylContact O-C 3.45Å; L40-N43 PolarHBondContact O-N 3.44Å; L40-E44 WeakPolarHBondContact O-CA 3.44Å; L40-E44 WeakPolarHBondContact O-CB 3.49Å; L40-E44 PolarHBondContact O-N 3.49Å; L40-I47 HydrophobicContact CD2-CD1 3.92Å; L40-Y50 HydrophobicContact CD1-CD2 4.23Å; L40-Y50 HydrophobicContact CD1-CE2 4.12Å; L40-Y50 HydrophobicContact CD2-CD2 4.03Å; L40-W115 HydrophobicContact CB-CZ3 4.3Å; L40-W115 HydrophobicContact CD1-CZ3 4.27Å; L40-V116 HydrophobicContact CD1-CG2 3.75Å; L40-I122 HydrophobicContact CB-CD1 4.49Å; L40-I122 HydrophobicContact CD2-CD1 3.93Å
41K98.1Very high98Very high82 Ų8268 Ų6836%0.35736%0.357SS..Hα-helixtrans-65-43.7177.5-88.9-77.2171.5-164.40113.4S37 A38 F39 N43 E44 W115 F119S37-K41 VanDerWaalsContact O-CB 3.3Å; S37-K41 WeakPolarHBondContact O-CB 3.37Å; S37-K41 PolarHBondContact O-N 2.9Å; A38-K41 PolarHBondContact O-N 3.48Å; F39-K41 VanDerWaalsContact C-N 3.31Å; F39-K41 PolarHBondContact O-N 3.36Å; K41-N43 PolarHBondContact O-N 3.31Å; K41-E44 WeakPolarHBondContact CD-OE2 3.46Å; K41-E44 WeakPolarHBondContact CE-OE2 3.37Å; K41-E44 IonicContact NZ-OE1 3.62Å; K41-E44 IonicContact NZ-OE2 3.24Å; K41-E44 PolarHBondContact NZ-OE2 2.74Å; K41-E44 WeakPolarHBondContact O-CG 3.35Å; K41-E44 PolarHBondContact O-N 2.94Å; K41-W115 HydrophobicContact CG-CH2 3.64Å; K41-W115 HydrophobicContact CG-CZ2 4.11Å; K41-F119 WeakPolarHBondContact CE-O 3.4Å; K41-F119 PolarHBondContact NZ-O 3.15Å
42Q98.4Very high98Very high162 Ų16265 Ų6576%0.75734%0.338SS*.Hα-helixtrans-63.8-25.7178.2-173177.817.500112.5A38 F39A38-Q42 WeakPolarHBondContact O-CB 3.37Å; A38-Q42 PolarHBondContact O-N 2.88Å; F39-Q42 PolarHBondContact O-N 3.28Å
43N98.4Very high98Very high34 Ų3463.1 Ų63.118%0.18233%0.332CS..THydrogen-bonded Turntrans-116.315.4-175-63.3-80.5000113.3F39 L40 K41 D45 K46 I47F39-N43 PolarHBondContact O-N 2.98Å; F39-N43 VanDerWaalsContact O-N 3.16Å; F39-N43 PolarHBondContact O-ND2 3.45Å; L40-N43 CarbonylContact O-C 3.45Å; L40-N43 PolarHBondContact O-N 3.44Å; K41-N43 PolarHBondContact O-N 3.31Å; N43-D45 PolarHBondContact O-N 3.07Å; N43-D45 VanDerWaalsContact O-N 3.1Å; N43-K46 PolarHBondContact O-N 2.9Å; N43-I47 HydrophobicContact CB-CD1 3.7Å; N43-I47 HydrophobicContact CB-CG1 4.06Å; N43-I47 WeakPolarHBondContact O-CG1 3.3Å; N43-I47 PolarHBondContact O-N 2.59Å
44E97.5Very high98Very high30 Ų3065.8 Ų65.814%0.1434%0.344CS..THydrogen-bonded Turntrans-63.8-21.9-172.368.6179.6-170.400113.7L40 K41 K46 T120 K121L40-E44 WeakPolarHBondContact O-CA 3.44Å; L40-E44 WeakPolarHBondContact O-CB 3.49Å; L40-E44 PolarHBondContact O-N 3.49Å; K41-E44 WeakPolarHBondContact CD-OE2 3.46Å; K41-E44 WeakPolarHBondContact CE-OE2 3.37Å; K41-E44 IonicContact NZ-OE1 3.62Å; K41-E44 IonicContact NZ-OE2 3.24Å; K41-E44 PolarHBondContact NZ-OE2 2.74Å; K41-E44 WeakPolarHBondContact O-CG 3.35Å; K41-E44 PolarHBondContact O-N 2.94Å; E44-K46 VanDerWaalsContact C-N 3.32Å; E44-T120 WeakPolarHBondContact OE2-CA 3.45Å; E44-K121 HydrophobicContact CB-CB 4.36Å; E44-K121 HydrophobicContact CG-CB 4.29Å; E44-K121 HydrophobicContact CG-CD 4.19Å; E44-K121 HydrophobicContact CG-CG 4.2Å; E44-K121 WeakPolarHBondContact OE1-CE 3.5Å; E44-K121 PolarHBondContact OE2-N 2.89Å
45D96.3Very high98Very high124 Ų12464.1 Ų64.166%0.66334%0.339SS*.THydrogen-bonded Turntrans-81.3-9.9174.9-65.1-47.5000113.4N43 K121N43-D45 PolarHBondContact O-N 3.07Å; N43-D45 VanDerWaalsContact O-N 3.1Å; D45-K121 WeakPolarHBondContact OD1-CD 3.5Å; D45-K121 WeakPolarHBondContact OD1-CE 3.36Å; D45-K121 IonicContact OD1-NZ 3.74Å; D45-K121 PolarHBondContact OD1-NZ 3.05Å; D45-K121 IonicContact OD2-NZ 2.75Å
46K96.4Very high97.9Very high169 Ų16961.5 Ų61.574%0.73532%0.318SS*.THydrogen-bonded Turntrans-114.2-24-178-61178.2-175.1171.60112.9N43 E44N43-K46 PolarHBondContact O-N 2.9Å; E44-K46 VanDerWaalsContact C-N 3.32Å
47I97.1Very high97.9Very high39 Ų3960.3 Ų60.320%0.232%0.315CS..  trans-89.9123.3-178.9-62.4172.7000108.5F39 L40 N43 A49 I122F39-I47 HydrophobicContact CD1-CD1 4.49Å; F39-I47 HydrophobicContact CE1-CD1 3.96Å; L40-I47 HydrophobicContact CD2-CD1 3.92Å; N43-I47 HydrophobicContact CB-CD1 3.7Å; N43-I47 HydrophobicContact CB-CG1 4.06Å; N43-I47 WeakPolarHBondContact O-CG1 3.3Å; N43-I47 PolarHBondContact O-N 2.59Å; I47-A49 WeakPolarHBondContact CG2-O 3.17Å; I47-I122 HydrophobicContact CB-CD1 3.92Å; I47-I122 HydrophobicContact CB-CG1 4.02Å; I47-I122 HydrophobicContact CG2-CD1 3.62Å; I47-I122 HydrophobicContact CG2-CG1 3.93Å; I47-I122 HydrophobicContact CG2-CG2 4.11Å; I47-I122 WeakPolarHBondContact O-CG1 3.42Å
48V96.6Very high97.9Very high50 Ų5060.7 Ų60.730%0.30332%0.315SS..  trans-100.3-25.8-177.4-61.10000112.9P123 Y124 V165 M169V48-P123 VanDerWaalsContact O-CD 3.23Å; V48-P123 WeakPolarHBondContact O-CD 3.3Å; V48-P123 WeakPolarHBondContact O-CG 3.34Å; V48-Y124 WeakPolarHBondContact O-CD2 3.37Å; V48-Y124 PolarHBondContact O-N 3.27Å; V48-V165 HydrophobicContact CB-CG1 3.92Å; V48-V165 HydrophobicContact CG2-CG1 3.68Å; V48-M169 HydrophobicContact CB-CE 4.29Å; V48-M169 HydrophobicContact CB-SD 3.45Å; V48-M169 WeakPolarHBondContact CB-SD 3.14Å; V48-M169 HydrophobicContact CG1-CE 3.58Å; V48-M169 HydrophobicContact CG1-SD 3.34Å; V48-M169 WeakPolarHBondContact CG1-SD 3.44Å; V48-M169 HydrophobicContact CG2-SD 4.45Å
49A97.8Very high97.9Very high28 Ų2858 Ų5823%0.23129%0.293CS..EExtended strand (participates in β ladder)trans-142.3146.2-179.900000111.4I47 Y124 M161I47-A49 WeakPolarHBondContact CG2-O 3.17Å; A49-Y124 CarbonylContact C-O 3.46Å; A49-Y124 VanDerWaalsContact CA-O 3.25Å; A49-Y124 WeakPolarHBondContact CA-O 3.25Å; A49-M161 HydrophobicContact CB-CE 3.95Å
50Y98.4Very high97.9Very high35 Ų3552.5 Ų52.514%0.13727%0.269CS..EExtended strand (participates in β ladder)trans-125.2130.3170176.4-94.9000109.5L40 A52 A112 P113 V116 Y124 S125 Y126L40-Y50 HydrophobicContact CD1-CD2 4.23Å; L40-Y50 HydrophobicContact CD1-CE2 4.12Å; L40-Y50 HydrophobicContact CD2-CD2 4.03Å; Y50-A52 HydrophobicContact CE1-CB 3.82Å; Y50-A112 HydrophobicContact CE1-CB 3.99Å; Y50-A112 VanDerWaalsContact OH-CB 3.29Å; Y50-A112 WeakPolarHBondContact OH-CB 3.01Å; Y50-P113 HydrophobicContact CD1-CB 4.47Å; Y50-P113 HydrophobicContact CE1-CB 4.45Å; Y50-P113 HydrophobicContact CE1-CG 4.31Å; Y50-V116 HydrophobicContact CD1-CB 4.38Å; Y50-V116 HydrophobicContact CD1-CG2 4.03Å; Y50-V116 HydrophobicContact CD2-CG2 4.29Å; Y50-V116 HydrophobicContact CE1-CG2 4.35Å; Y50-V116 HydrophobicContact CG-CB 4.48Å; Y50-V116 HydrophobicContact CG-CG1 4.24Å; Y50-V116 HydrophobicContact CG-CG2 4Å; Y50-Y124 PolarHBondContact N-O 3.08Å; Y50-S125 CarbonylContact O-C 3.44Å; Y50-S125 VanDerWaalsContact O-CA 3.31Å; Y50-S125 WeakPolarHBondContact O-CA 3.47Å; Y50-Y126 PolarHBondContact O-N 3.05Å
51V98.5Very high97.9Very high40 Ų4052.6 Ų52.624%0.24227%0.269CS..EExtended strand (participates in β ladder)trans-131.7113.2177.7-175.10000108.8L53 Y126 V128 M161V51-L53 HydrophobicContact CG1-CD2 3.9Å; V51-Y126 WeakPolarHBondContact CA-O 3.23Å; V51-V128 HydrophobicContact CG1-CG2 3.82Å; V51-M161 HydrophobicContact CG2-CE 3.7Å; V51-M161 HydrophobicContact CG2-SD 3.55Å; V51-M161 VanDerWaalsContact CG2-SD 3.55Å
52A98.4Very high97.9Very high10 Ų1048.9 Ų48.98%0.08325%0.253CS..EExtended strand (participates in β ladder)trans-87.9116.3171.400000109.7Y50 P113 Y126 T127 V128Y50-A52 HydrophobicContact CE1-CB 3.82Å; A52-P113 HydrophobicContact CB-CG 4.27Å; A52-Y126 PolarHBondContact N-O 2.84Å; A52-T127 CarbonylContact O-C 3.54Å; A52-T127 WeakPolarHBondContact O-CA 3.45Å; A52-V128 PolarHBondContact O-N 2.84Å
53L98.5Very high97.9Very high94 Ų9441.2 Ų41.249%0.49222%0.218SC..EExtended strand (participates in β ladder)trans-89.6128.2175.8-60.4-178.6000110.5V51 V128 I154V51-L53 HydrophobicContact CG1-CD2 3.9Å; L53-V128 HydrophobicContact CD2-CB 3.86Å; L53-V128 HydrophobicContact CD2-CG2 4.27Å; L53-I154 HydrophobicContact CD1-CG1 4.49Å; L53-I154 HydrophobicContact CD2-CD1 4.02Å; L53-I154 HydrophobicContact CD2-CG1 3.95Å
54H98Very high97.9Very high65 Ų6540.3 Ų40.330%0.30121%0.212SC..EExtended strand (participates in β ladder)trans-132.1175.5177.8-75.4-91.8000110T127 V128 E129 L130H54-T127 HydrophobicContact CB-CG2 4.46Å; H54-V128 CarbonylContact C-O 3.5Å; H54-V128 WeakPolarHBondContact CA-O 3.14Å; H54-V128 PolarHBondContact N-O 2.82Å; H54-E129 WeakPolarHBondContact CB-OE2 3.43Å; H54-L130 WeakPolarHBondContact O-CB 3.48Å; H54-L130 VanDerWaalsContact O-CG 3.29Å; H54-L130 WeakPolarHBondContact O-CG 3.5Å; H54-L130 PolarHBondContact O-N 3.05Å
55T97.9Very high97.9Very high57 Ų5739 Ų3935%0.3521%0.206SC..EExtended strand (participates in β ladder)trans-147.8143.3170.4178.60000107.2E129 R131 F140T55-E129 VanDerWaalsContact C-OE2 3.31Å; T55-E129 WeakPolarHBondContact CA-OE2 3.31Å; T55-E129 PolarHBondContact N-OE2 3.47Å; T55-R131 PolarHBondContact OG1-O 3.07Å; T55-F140 HydrophobicContact CG2-CD1 4.36Å; T55-F140 WeakPolarHBondContact O-CE1 3.32Å
56F97.4Very high97.9Very high21 Ų2134.6 Ų34.69%0.09218%0.181CC..SBendcis-128.7167.88.165.4-86.3000110L130 P132 Y135 F140F56-L130 CarbonylContact C-O 3.59Å; F56-L130 WeakPolarHBondContact CA-O 3.31Å; F56-P132 HydrophobicContact CB-CG 4.34Å; F56-P132 WeakPolarHBondContact CB-O 3.32Å; F56-Y135 AromaticContact CE1-CD1 3.86Å; F56-Y135 HydrophobicContact CE1-CD1 3.86Å; F56-Y135 HydrophobicContact CE1-CD2 4.46Å; F56-Y135 AromaticContact CE1-CE1 3.44Å; F56-Y135 HydrophobicContact CE1-CE1 3.44Å; F56-Y135 VanDerWaalsContact CE1-CE1 3.44Å; F56-Y135 HydrophobicContact CE1-CE2 4.12Å; F56-Y135 HydrophobicContact CE1-CG 4.34Å; F56-Y135 AromaticContact CE1-CZ 3.57Å; F56-Y135 HydrophobicContact CE2-CD2 4.27Å; F56-Y135 HydrophobicContact CE2-CE2 4.43Å; F56-Y135 HydrophobicContact CE2-CG 4.4Å; F56-Y135 AromaticContact CZ-CD1 3.71Å; F56-Y135 HydrophobicContact CZ-CD1 3.71Å; F56-Y135 AromaticContact CZ-CD2 3.57Å; F56-Y135 HydrophobicContact CZ-CD2 3.57Å; F56-Y135 AromaticContact CZ-CE1 3.55Å; F56-Y135 HydrophobicContact CZ-CE1 3.55Å; F56-Y135 AromaticContact CZ-CE2 3.43Å; F56-Y135 HydrophobicContact CZ-CE2 3.43Å; F56-Y135 VanDerWaalsContact CZ-CE2 3.43Å; F56-Y135 AromaticContact CZ-CG 3.71Å; F56-Y135 HydrophobicContact CZ-CG 3.71Å; F56-Y135 AromaticContact CZ-CZ 3.39Å; F56-F140 HydrophobicContact CD1-CD1 4.05Å; F56-F140 HydrophobicContact CD1-CD2 4.44Å; F56-F140 AromaticContact CD1-CE1 3.94Å; F56-F140 HydrophobicContact CD1-CE1 3.94Å; F56-F140 HydrophobicContact CD1-CE2 4.33Å; F56-F140 HydrophobicContact CD1-CG 4.31Å; F56-F140 HydrophobicContact CD1-CZ 4.07Å; F56-F140 HydrophobicContact CE1-CD1 4.47Å; F56-F140 HydrophobicContact CE1-CD2 4.16Å; F56-F140 HydrophobicContact CE1-CE1 4.15Å; F56-F140 AromaticContact CE1-CE2 3.8Å; F56-F140 HydrophobicContact CE1-CE2 3.8Å; F56-F140 HydrophobicContact CE1-CG 4.48Å; F56-F140 AromaticContact CE1-CZ 3.79Å; F56-F140 HydrophobicContact CE1-CZ 3.79Å
57S97.7Very high98Very high37 Ų3729.6 Ų29.626%0.25916%0.162SC..SBendtrans157-5.9160.3-77.60000112.4L130 P132S57-L130 PolarHBondContact N-O 2.98Å; S57-P132 WeakPolarHBondContact CA-O 3.36Å; S57-P132 PolarHBondContact N-O 2.81Å
58Q98.5Very high97.9Very high20 Ų2030.7 Ų30.79%0.09317%0.171CC..  trans55.463-169.7-59.3-173.9159.600112.1N96 Y97 R98 E129 L130 R131 D133Q58-N96 PolarHBondContact NE2-O 3.47Å; Q58-Y97 VanDerWaalsContact C-CD1 3.45Å; Q58-Y97 HydrophobicContact CB-CD1 4.11Å; Q58-Y97 HydrophobicContact CB-CD2 3.56Å; Q58-Y97 HydrophobicContact CB-CE1 4.24Å; Q58-Y97 HydrophobicContact CB-CE2 3.67Å; Q58-Y97 HydrophobicContact CB-CG 3.79Å; Q58-Y97 HydrophobicContact CG-CD2 3.9Å; Q58-Y97 HydrophobicContact CG-CE2 3.52Å; Q58-Y97 WeakPolarHBondContact O-CA 3.31Å; Q58-R98 PolarHBondContact O-N 3.49Å; Q58-E129 CarbonylContact C-O 3.19Å; Q58-E129 WeakPolarHBondContact CA-O 3.47Å; Q58-E129 PolarHBondContact N-O 3.37Å; Q58-L130 PolarHBondContact N-O 3.16Å; Q58-L130 VanDerWaalsContact N-O 3.12Å; Q58-R131 HydrophobicContact CG-CG 4.45Å; Q58-D133 HydrophobicContact CB-CB 4.46Å; Q58-D133 HydrophobicContact CG-CB 4.1Å
59L98.6Very high98Very high0 Ų034.5 Ų34.50%019%0.189CC..EExtended strand (participates in β ladder)trans-125.9144.1179.9-56.4172.9000111L61 R98 L100 L105 V128 E129L59-L61 HydrophobicContact CB-CD2 3.82Å; L59-L61 HydrophobicContact CB-CG 3.96Å; L59-L61 HydrophobicContact CD1-CD2 4.15Å; L59-R98 WeakPolarHBondContact CA-O 3.43Å; L59-R98 HydrophobicContact CD2-CB 3.95Å; L59-L100 HydrophobicContact CD2-CD1 4Å; L59-L105 HydrophobicContact CD1-CD1 4.04Å; L59-L105 HydrophobicContact CD1-CD2 3.95Å; L59-V128 CarbonylContact O-C 3.59Å; L59-V128 WeakPolarHBondContact O-CA 3.34Å; L59-V128 WeakPolarHBondContact O-CG1 3.47Å; L59-E129 HydrophobicContact CB-CB 3.95Å; L59-E129 HydrophobicContact CB-CG 4.19Å; L59-E129 HydrophobicContact CD1-CG 4.38Å; L59-E129 HydrophobicContact CG-CB 4.4Å; L59-E129 PolarHBondContact N-O 2.96Å; L59-E129 PolarHBondContact O-N 3.35Å
60W98.8Very high98Very high0 Ų033.8 Ų33.80%018%0.183CC..EExtended strand (participates in β ladder)trans-114.2107.1165.3-163.4-64.6000107.6A82 A85 V86 R98 V99 L100 Y126 V128 I154 V158 M161W60-A82 VanDerWaalsContact CD1-CB 3.44Å; W60-A82 HydrophobicContact CG-CB 4.15Å; W60-A85 HydrophobicContact CD2-CB 4.3Å; W60-A85 HydrophobicContact CE3-CB 4.04Å; W60-A85 HydrophobicContact CH2-CB 3.37Å; W60-A85 HydrophobicContact CZ2-CB 3.64Å; W60-A85 HydrophobicContact CZ3-CB 3.58Å; W60-V86 HydrophobicContact CB-CG2 3.69Å; W60-V86 HydrophobicContact CD2-CG2 4.32Å; W60-V86 HydrophobicContact CE3-CG2 4.12Å; W60-V86 HydrophobicContact CG-CG2 4.19Å; W60-R98 PolarHBondContact N-O 3.49Å; W60-V99 HydrophobicContact CB-CG2 4.34Å; W60-V99 VanDerWaalsContact O-CA 3.31Å; W60-V99 WeakPolarHBondContact O-CA 3.41Å; W60-L100 PolarHBondContact O-N 3.37Å; W60-L100 VanDerWaalsContact O-N 3.08Å; W60-Y126 AromaticContact CD1-CD1 3.55Å; W60-Y126 HydrophobicContact CZ2-CD2 4.43Å; W60-Y126 AromaticContact NE1-CD1 3.12Å; W60-Y126 AromaticContact NE1-CD2 3.8Å; W60-Y126 AromaticContact NE1-CE1 3.55Å; W60-Y126 AromaticContact NE1-CG 3.25Å; W60-Y126 VanDerWaalsContact NE1-CG 3.25Å; W60-V128 HydrophobicContact CD2-CG2 3.79Å; W60-V128 HydrophobicContact CE3-CG1 4.34Å; W60-V128 HydrophobicContact CE3-CG2 3.75Å; W60-V128 HydrophobicContact CG-CG2 4.33Å; W60-V128 HydrophobicContact CH2-CG2 4.23Å; W60-V128 HydrophobicContact CZ2-CG2 4.28Å; W60-V128 HydrophobicContact CZ3-CG2 3.97Å; W60-I154 HydrophobicContact CZ3-CD1 4.27Å; W60-V158 HydrophobicContact CH2-CG2 4.47Å; W60-M161 HydrophobicContact CH2-CB 4.42Å; W60-M161 HydrophobicContact CZ2-CB 4.31Å; W60-M161 HydrophobicContact CZ2-CG 4.36Å; W60-M161 HydrophobicContact CZ2-SD 3.99Å
61L98.6Very high97.9Very high8 Ų836.6 Ų36.64%0.04220%0.2CC..EExtended strand (participates in β ladder)trans-104.9130.9-167-59.9178.9000111.3L59 L100 S102 L105 Y126 T127 E129L59-L61 HydrophobicContact CB-CD2 3.82Å; L59-L61 HydrophobicContact CB-CG 3.96Å; L59-L61 HydrophobicContact CD1-CD2 4.15Å; L61-L100 CarbonylContact C-O 3.51Å; L61-L100 VanDerWaalsContact CA-O 3.3Å; L61-L100 WeakPolarHBondContact CA-O 3.38Å; L61-L100 HydrophobicContact CD2-CB 3.92Å; L61-S102 WeakPolarHBondContact CB-OG 3.31Å; L61-L105 HydrophobicContact CD1-CD2 4.37Å; L61-Y126 WeakPolarHBondContact O-CA 3.34Å; L61-T127 WeakPolarHBondContact CA-O 3.28Å; L61-T127 WeakPolarHBondContact CB-O 3.34Å; L61-T127 HydrophobicContact CD1-CG2 4.05Å; L61-T127 PolarHBondContact N-O 2.73Å; L61-T127 PolarHBondContact O-N 3.45Å; L61-E129 HydrophobicContact CD1-CG 4.15Å
62M98.4Very high97.9Very high4 Ų435 Ų352%0.0219%0.191CC..EExtended strand (participates in β ladder)trans-101.5147.1175.6-60.9-170.9-77.800111.8L75 L78 D79 V99 L100 R101 S102 Y126M62-L75 HydrophobicContact CE-CD1 4.26Å; M62-L75 HydrophobicContact SD-CD1 4.4Å; M62-L78 HydrophobicContact CG-CB 4.43Å; M62-L78 HydrophobicContact SD-CB 3.68Å; M62-D79 HydrophobicContact CE-CB 3.79Å; M62-D79 WeakPolarHBondContact CE-OD1 3.49Å; M62-D79 WeakPolarHBondContact SD-CA 3.32Å; M62-D79 HydrophobicContact SD-CB 3.87Å; M62-D79 PolarHBondContact SD-N 2.91Å; M62-V99 HydrophobicContact CE-CG1 3.85Å; M62-V99 HydrophobicContact SD-CG1 4.48Å; M62-L100 PolarHBondContact N-O 2.92Å; M62-R101 HydrophobicContact CE-CG 4.31Å; M62-R101 CarbonylContact O-C 3.55Å; M62-R101 WeakPolarHBondContact O-CA 3.25Å; M62-S102 PolarHBondContact O-N 3.01Å; M62-S102 PolarHBondContact O-OG 3.49Å; M62-Y126 HydrophobicContact CG-CD1 4.02Å; M62-Y126 HydrophobicContact CG-CE1 3.82Å
63P98.2Very high97.8Very high1 Ų140.5 Ų40.51%0.00623%0.228CC..SBendtrans-63.8159.9170.626.5-33.8000111.8P72 L78 D114 K117 S125P63-P72 HydrophobicContact CG-CG 4.43Å; P63-P72 VanDerWaalsContact O-CD 3.22Å; P63-P72 WeakPolarHBondContact O-CD 3.5Å; P63-P72 WeakPolarHBondContact O-CG 3.29Å; P63-L78 HydrophobicContact CG-CD1 4.11Å; P63-D114 WeakPolarHBondContact CB-OD1 3.42Å; P63-K117 HydrophobicContact CB-CB 4.11Å; P63-K117 HydrophobicContact CB-CG 4.18Å; P63-K117 HydrophobicContact CG-CB 3.88Å; P63-K117 HydrophobicContact CG-CD 4.44Å; P63-K117 HydrophobicContact CG-CG 3.71Å; P63-S125 WeakPolarHBondContact CD-O 3.49Å
64F98.1Very high97.7Very high15 Ų1537.2 Ų37.27%0.06621%0.211CC..PPolyproline II helixcis-90.6147.1-5.9-66.6-68.7000112.1Y66 A70 P72 A103 D114 K117 K118F64-Y66 HydrophobicContact CB-CD1 3.97Å; F64-Y66 HydrophobicContact CB-CE1 3.69Å; F64-Y66 HydrophobicContact CD1-CD1 4.15Å; F64-Y66 AromaticContact CD1-CE1 3.45Å; F64-Y66 HydrophobicContact CD1-CE1 3.45Å; F64-Y66 VanDerWaalsContact CD1-CE1 3.45Å; F64-Y66 HydrophobicContact CD2-CE1 4.31Å; F64-Y66 HydrophobicContact CE1-CE1 4.16Å; F64-Y66 HydrophobicContact CG-CD1 4.27Å; F64-Y66 AromaticContact CG-CE1 3.54Å; F64-Y66 HydrophobicContact CG-CE1 3.54Å; F64-Y66 AromaticContact CG-CZ 3.9Å; F64-A70 HydrophobicContact CB-CB 3.8Å; F64-A70 HydrophobicContact CD2-CB 3.85Å; F64-A70 HydrophobicContact CG-CB 4.17Å; F64-P72 HydrophobicContact CE2-CB 4.29Å; F64-A103 WeakPolarHBondContact O-CB 3.23Å; F64-A103 PolarHBondContact O-N 2.93Å; F64-D114 VanDerWaalsContact CA-OD1 3.28Å; F64-D114 WeakPolarHBondContact CA-OD1 3.18Å; F64-D114 HydrophobicContact CD1-CB 3.99Å; F64-K117 HydrophobicContact CE1-CB 4Å; F64-K117 HydrophobicContact CE1-CG 4.04Å; F64-K117 HydrophobicContact CZ-CB 4.42Å; F64-K117 HydrophobicContact CZ-CG 4Å; F64-K118 HydrophobicContact CE1-CB 3.76Å; F64-K118 HydrophobicContact CE1-CG 4.47Å; F64-K118 HydrophobicContact CZ-CB 4Å; F64-K118 HydrophobicContact CZ-CG 4.4Å
65G97.6Very high97.7Very high2 Ų236 Ų362%0.02121%0.207CC..  trans-85.6-31.4171.700000113.9D67 A103 P107 A108 D114G65-D67 PolarHBondContact O-N 3.38Å; G65-A103 WeakPolarHBondContact O-CB 3.31Å; G65-P107 CarbonylContact O-C 3.5Å; G65-P107 WeakPolarHBondContact O-CA 3.29Å; G65-A108 CarbonylContact C-O 3.2Å; G65-A108 PolarHBondContact O-N 3.24Å; G65-D114 WeakPolarHBondContact CA-OD2 3.5Å; G65-D114 PolarHBondContact N-OD1 2.77Å; G65-D114 PolarHBondContact N-OD2 2.96Å
66Y97.2Very high97.6Very high31 Ų3139.8 Ų39.812%0.12223%0.225CC..SBendtrans-71.7-25.1-171.662.6-107000115.6V6 E7 F64 A70 A108 D114 K118V6-Y66 HydrophobicContact CG2-CD1 3.73Å; V6-Y66 HydrophobicContact CG2-CE1 3.75Å; E7-Y66 HydrophobicContact CB-CD2 4.42Å; E7-Y66 HydrophobicContact CB-CG 4.1Å; E7-Y66 HydrophobicContact CG-CD1 3.77Å; E7-Y66 HydrophobicContact CG-CD2 3.41Å; E7-Y66 VanDerWaalsContact CG-CD2 3.41Å; E7-Y66 HydrophobicContact CG-CE1 4.14Å; E7-Y66 HydrophobicContact CG-CE2 3.82Å; E7-Y66 HydrophobicContact CG-CG 3.38Å; F64-Y66 HydrophobicContact CB-CD1 3.97Å; F64-Y66 HydrophobicContact CB-CE1 3.69Å; F64-Y66 HydrophobicContact CD1-CD1 4.15Å; F64-Y66 AromaticContact CD1-CE1 3.45Å; F64-Y66 HydrophobicContact CD1-CE1 3.45Å; F64-Y66 VanDerWaalsContact CD1-CE1 3.45Å; F64-Y66 HydrophobicContact CD2-CE1 4.31Å; F64-Y66 HydrophobicContact CE1-CE1 4.16Å; F64-Y66 HydrophobicContact CG-CD1 4.27Å; F64-Y66 AromaticContact CG-CE1 3.54Å; F64-Y66 HydrophobicContact CG-CE1 3.54Å; F64-Y66 AromaticContact CG-CZ 3.9Å; Y66-A70 HydrophobicContact CD2-CB 4.2Å; Y66-A70 HydrophobicContact CE2-CB 3.39Å; Y66-A108 VanDerWaalsContact CA-O 3.23Å; Y66-A108 WeakPolarHBondContact CA-O 3.49Å; Y66-A108 PolarHBondContact N-O 2.75Å; Y66-D114 HydrophobicContact CD1-CB 4.39Å; Y66-D114 WeakPolarHBondContact CD1-OD2 3.41Å; Y66-D114 PolarHBondContact N-OD2 3Å; Y66-D114 VanDerWaalsContact N-OD2 3.08Å; Y66-K118 HydrophobicContact CE1-CD 4.22Å; Y66-K118 PolarHBondContact OH-NZ 2.92Å
67D97.1Very high97.6Very high65 Ų6541.7 Ų41.735%0.34823%0.234SC..  trans-150.1133.1-178.8-179.9-4.9000110.6G65 N69 A70G65-D67 PolarHBondContact O-N 3.38Å; D67-N69 PolarHBondContact O-N 3.39Å; D67-N69 PolarHBondContact OD1-N 2.99Å; D67-N69 PolarHBondContact OD1-ND2 3.12Å; D67-A70 HydrophobicContact CB-CB 3.93Å; D67-A70 PolarHBondContact O-N 3.22Å; D67-A70 VanDerWaalsContact O-N 3.1Å
68V96.8Very high97.6Very high62 Ų6239.9 Ų39.938%0.37622%0.222SC..THydrogen-bonded Turntrans-60.5-21.9176.6-69.30000113.7R101 A103 P107V68-R101 PolarHBondContact O-NH1 3.48Å; V68-R101 PolarHBondContact O-NH2 3.09Å; V68-A103 HydrophobicContact CB-CB 4.39Å; V68-A103 HydrophobicContact CG1-CB 3.88Å; V68-A103 WeakPolarHBondContact CG1-O 3.12Å; V68-P107 HydrophobicContact CG1-CG 4.08Å
69N97.2Very high97.6Very high129 Ų12941.9 Ų41.969%0.6923%0.233SC*.THydrogen-bonded Turntrans-96.2-11.6178.6-57.9-56.3000113.2D67 L71D67-N69 PolarHBondContact O-N 3.39Å; D67-N69 PolarHBondContact OD1-N 2.99Å; D67-N69 PolarHBondContact OD1-ND2 3.12Å; N69-L71 PolarHBondContact O-N 3.18Å
70A97.3Very high97.6Very high13 Ų1347 Ų4711%0.10726%0.257CS..  trans-77.8123.8177.500000110.2F64 Y66 D67F64-A70 HydrophobicContact CB-CB 3.8Å; F64-A70 HydrophobicContact CD2-CB 3.85Å; F64-A70 HydrophobicContact CG-CB 4.17Å; Y66-A70 HydrophobicContact CD2-CB 4.2Å; Y66-A70 HydrophobicContact CE2-CB 3.39Å; D67-A70 HydrophobicContact CB-CB 3.93Å; D67-A70 PolarHBondContact O-N 3.22Å; D67-A70 VanDerWaalsContact O-N 3.1Å
71L97.6Very high97.6Very high95 Ų9547 Ų4750%0.49726%0.257SS..  trans-122.3135.4-178.5-57.9179.4000110.8N69 L75N69-L71 PolarHBondContact O-N 3.18Å; L71-L75 HydrophobicContact CD1-CD2 4.43Å; L71-L75 HydrophobicContact CD2-CD2 4.08Å
72P97.4Very high97.6Very high7 Ų746.7 Ų46.75%0.04526%0.255CS..  trans-68.7147.3169.428.8-33.1000110.3P63 F64 N74 L75 L78 K117P63-P72 HydrophobicContact CG-CG 4.43Å; P63-P72 VanDerWaalsContact O-CD 3.22Å; P63-P72 WeakPolarHBondContact O-CD 3.5Å; P63-P72 WeakPolarHBondContact O-CG 3.29Å; F64-P72 HydrophobicContact CE2-CB 4.29Å; P72-N74 PolarHBondContact O-N 3.11Å; P72-L75 HydrophobicContact CG-CB 4.12Å; P72-L75 HydrophobicContact CG-CD1 4.12Å; P72-L75 PolarHBondContact O-N 2.86Å; P72-L78 HydrophobicContact CB-CD1 3.86Å; P72-L78 HydrophobicContact CG-CD1 3.58Å; P72-K117 HydrophobicContact CB-CD 4.34Å; P72-K117 HydrophobicContact CB-CG 4.01Å
73S96.7Very high97.6Very high124 Ų12449.8 Ų49.887%0.86727%0.27SS*.THydrogen-bonded Turntrans-61.7-26.8-177.852.90000114.2
74N96.4Very high97.6Very high25 Ų2552.5 Ų52.513%0.13428%0.282CS..THydrogen-bonded Turntrans-109.435.6177.771.3-32.3000112.7P72 N76 E77 L78 K117 P123P72-N74 PolarHBondContact O-N 3.11Å; N74-N76 VanDerWaalsContact C-N 3.29Å; N74-N76 PolarHBondContact O-N 3.31Å; N74-E77 HydrophobicContact CB-CB 4.31Å; N74-E77 PolarHBondContact ND2-OE2 2.92Å; N74-E77 VanDerWaalsContact ND2-OE2 3.08Å; N74-E77 WeakPolarHBondContact O-CB 3.27Å; N74-E77 PolarHBondContact O-N 2.68Å; N74-E77 VanDerWaalsContact O-N 3.11Å; N74-L78 PolarHBondContact O-N 2.9Å; N74-K117 WeakPolarHBondContact OD1-CE 3.4Å; N74-K117 PolarHBondContact OD1-NZ 3.49Å; N74-P123 PolarHBondContact ND2-O 3.33Å
75L97.5Very high97.6Very high39 Ų3951.8 Ų51.820%0.20428%0.279CS..Hα-helixtrans-48.2-46.5-178.3177.163.3000113.9M62 L71 P72 E77 L78 D79 R101M62-L75 HydrophobicContact CE-CD1 4.26Å; M62-L75 HydrophobicContact SD-CD1 4.4Å; L71-L75 HydrophobicContact CD1-CD2 4.43Å; L71-L75 HydrophobicContact CD2-CD2 4.08Å; P72-L75 HydrophobicContact CG-CB 4.12Å; P72-L75 HydrophobicContact CG-CD1 4.12Å; P72-L75 PolarHBondContact O-N 2.86Å; L75-E77 VanDerWaalsContact C-N 3.31Å; L75-E77 PolarHBondContact O-N 3.43Å; L75-L78 PolarHBondContact O-N 3.45Å; L75-D79 WeakPolarHBondContact O-CB 3.38Å; L75-D79 PolarHBondContact O-N 3.28Å; L75-R101 HydrophobicContact CD1-CG 4.41Å
76N97.4Very high97.7Very high137 Ų13752.4 Ų52.473%0.73328%0.282SS*.Hα-helixtrans-62.2-40.3-177-66.1-14000112.2N74 D79 E80N74-N76 VanDerWaalsContact C-N 3.29Å; N74-N76 PolarHBondContact O-N 3.31Å; N76-D79 PolarHBondContact O-N 2.97Å; N76-E80 WeakPolarHBondContact O-CB 3.33Å; N76-E80 PolarHBondContact O-N 2.98Å
77E97Very high97.8Very high61 Ų6157.8 Ų57.829%0.28530%0.302SS..Hα-helixtrans-68.4-40.4177.5-178.9-178.7-146.500110.9N74 L75 D79 T81 Y124N74-E77 HydrophobicContact CB-CB 4.31Å; N74-E77 PolarHBondContact ND2-OE2 2.92Å; N74-E77 VanDerWaalsContact ND2-OE2 3.08Å; N74-E77 WeakPolarHBondContact O-CB 3.27Å; N74-E77 PolarHBondContact O-N 2.68Å; N74-E77 VanDerWaalsContact O-N 3.11Å; L75-E77 VanDerWaalsContact C-N 3.31Å; L75-E77 PolarHBondContact O-N 3.43Å; E77-D79 VanDerWaalsContact C-N 3.3Å; E77-D79 PolarHBondContact O-N 3.28Å; E77-T81 WeakPolarHBondContact O-CB 3.36Å; E77-T81 PolarHBondContact O-N 3.44Å; E77-T81 PolarHBondContact O-OG1 2.67Å; E77-Y124 VanDerWaalsContact CD-OH 3.28Å; E77-Y124 HydrophobicContact CG-CE1 3.71Å; E77-Y124 PolarHBondContact OE1-OH 3.2Å
78L98.2Very high97.9Very high0 Ų055.9 Ų55.90%030%0.295CS..Hα-helixtrans-61.3-42.1174.8-69.4173.2000111.6M62 P63 P72 N74 L75 A82 Y124 Y126M62-L78 HydrophobicContact CG-CB 4.43Å; M62-L78 HydrophobicContact SD-CB 3.68Å; P63-L78 HydrophobicContact CG-CD1 4.11Å; P72-L78 HydrophobicContact CB-CD1 3.86Å; P72-L78 HydrophobicContact CG-CD1 3.58Å; N74-L78 PolarHBondContact O-N 2.9Å; L75-L78 PolarHBondContact O-N 3.45Å; L78-A82 VanDerWaalsContact O-CB 3.27Å; L78-A82 WeakPolarHBondContact O-CB 2.96Å; L78-A82 PolarHBondContact O-N 3.04Å; L78-Y124 HydrophobicContact CD2-CD1 4.13Å; L78-Y126 WeakPolarHBondContact CA-OH 3.39Å; L78-Y126 HydrophobicContact CB-CE1 4.21Å; L78-Y126 HydrophobicContact CD2-CE1 4.09Å; L78-Y126 HydrophobicContact CD2-CE2 4.3Å; L78-Y126 WeakPolarHBondContact CD2-OH 3.18Å; L78-Y126 PolarHBondContact O-OH 3.01Å
79D98.3Very high97.9Very high62 Ų6252.9 Ų52.933%0.33228%0.277SS..Hα-helixtrans-68.7-44.9-178.4-172.282.6000111.8M62 L75 N76 E77 A82 H83M62-D79 HydrophobicContact CE-CB 3.79Å; M62-D79 WeakPolarHBondContact CE-OD1 3.49Å; M62-D79 WeakPolarHBondContact SD-CA 3.32Å; M62-D79 HydrophobicContact SD-CB 3.87Å; M62-D79 PolarHBondContact SD-N 2.91Å; L75-D79 WeakPolarHBondContact O-CB 3.38Å; L75-D79 PolarHBondContact O-N 3.28Å; N76-D79 PolarHBondContact O-N 2.97Å; E77-D79 VanDerWaalsContact C-N 3.3Å; E77-D79 PolarHBondContact O-N 3.28Å; D79-A82 PolarHBondContact O-N 2.96Å; D79-H83 PolarHBondContact O-N 3.01Å; D79-H83 PolarHBondContact O-ND1 3.18Å; D79-H83 IonicContact OD1-CE1 2.69Å; D79-H83 PolarHBondContact OD1-CE1 3.36Å; D79-H83 IonicContact OD1-ND1 3.45Å; D79-H83 IonicContact OD2-CE1 2.7Å; D79-H83 PolarHBondContact OD2-CE1 2.95Å; D79-H83 VanDerWaalsContact OD2-CE1 3.24Å; D79-H83 IonicContact OD2-ND1 3.84Å; D79-H83 PolarHBondContact OD2-ND1 2.83Å; D79-H83 VanDerWaalsContact OD2-ND1 3.11Å
80E98.1Very high98Very high108 Ų10853 Ų5351%0.50527%0.268SS..Hα-helixtrans-59.9-49.6176.5-175.9175.1-171.400111.2N76 A82 H83 E84N76-E80 WeakPolarHBondContact O-CB 3.33Å; N76-E80 PolarHBondContact O-N 2.98Å; E80-A82 PolarHBondContact O-N 3.47Å; E80-H83 PolarHBondContact O-N 3.24Å; E80-E84 PolarHBondContact O-N 3.35Å
81T98.3Very high98.1Very high0 Ų056.5 Ų56.50%029%0.292CS..Hα-helixtrans-60.4-44.1178.2-52.60000111.5E77 H83 E84 A85 Y124 Y126 M161 H164E77-T81 WeakPolarHBondContact O-CB 3.36Å; E77-T81 PolarHBondContact O-N 3.44Å; E77-T81 PolarHBondContact O-OG1 2.67Å; T81-H83 VanDerWaalsContact C-N 3.35Å; T81-H83 PolarHBondContact O-N 3.3Å; T81-E84 PolarHBondContact O-N 2.98Å; T81-A85 WeakPolarHBondContact O-CB 3.11Å; T81-A85 PolarHBondContact O-N 3.45Å; T81-Y124 HydrophobicContact CG2-CD1 4.36Å; T81-Y124 HydrophobicContact CG2-CE1 4.49Å; T81-Y124 WeakPolarHBondContact OG1-CE1 3.21Å; T81-Y126 VanDerWaalsContact CB-OH 3.32Å; T81-Y126 WeakPolarHBondContact CB-OH 3.45Å; T81-M161 HydrophobicContact CG2-CB 4.17Å; T81-M161 HydrophobicContact CG2-CG 3.58Å; T81-H164 HydrophobicContact CG2-CB 4.1Å; T81-H164 PolarHBondContact OG1-CD2 3.24Å; T81-H164 PolarHBondContact OG1-NE2 2.98Å
82A98.7Very high98.1Very high0 Ų054.3 Ų54.30%028%0.283CS..Hα-helixtrans-63.2-41.2179.300000111.7W60 L78 D79 E80 A85 V86 V99 Y126W60-A82 VanDerWaalsContact CD1-CB 3.44Å; W60-A82 HydrophobicContact CG-CB 4.15Å; L78-A82 VanDerWaalsContact O-CB 3.27Å; L78-A82 WeakPolarHBondContact O-CB 2.96Å; L78-A82 PolarHBondContact O-N 3.04Å; D79-A82 PolarHBondContact O-N 2.96Å; E80-A82 PolarHBondContact O-N 3.47Å; A82-A85 PolarHBondContact O-N 3.39Å; A82-V86 WeakPolarHBondContact O-CB 3.29Å; A82-V86 WeakPolarHBondContact O-CG2 3.49Å; A82-V86 PolarHBondContact O-N 3.31Å; A82-V99 HydrophobicContact CB-CG1 3.67Å; A82-V99 HydrophobicContact CB-CG2 3.98Å; A82-Y126 HydrophobicContact CB-CE1 3.96Å
83H98.7Very high98.1Very high70 Ų7057.8 Ų57.832%0.32430%0.298SS..Hα-helixtrans-67.9-35.8176.2-7897.6000112.6D79 E80 T81 R87D79-H83 PolarHBondContact O-N 3.01Å; D79-H83 PolarHBondContact O-ND1 3.18Å; D79-H83 IonicContact OD1-CE1 2.69Å; D79-H83 PolarHBondContact OD1-CE1 3.36Å; D79-H83 IonicContact OD1-ND1 3.45Å; D79-H83 IonicContact OD2-CE1 2.7Å; D79-H83 PolarHBondContact OD2-CE1 2.95Å; D79-H83 VanDerWaalsContact OD2-CE1 3.24Å; D79-H83 IonicContact OD2-ND1 3.84Å; D79-H83 PolarHBondContact OD2-ND1 2.83Å; D79-H83 VanDerWaalsContact OD2-ND1 3.11Å; E80-H83 PolarHBondContact O-N 3.24Å; T81-H83 VanDerWaalsContact C-N 3.35Å; T81-H83 PolarHBondContact O-N 3.3Å; H83-R87 WeakPolarHBondContact O-CB 3.3Å; H83-R87 VanDerWaalsContact O-CG 3.3Å; H83-R87 WeakPolarHBondContact O-CG 3.46Å; H83-R87 PolarHBondContact O-N 3.21Å
84E98.4Very high98.2Very high58 Ų5858.9 Ų58.927%0.27129%0.289SS..Hα-helixtrans-61.5-47.6170.8-79.3-174177.300111.7E80 T81 V86 R87 A88 H164E80-E84 PolarHBondContact O-N 3.35Å; T81-E84 PolarHBondContact O-N 2.98Å; E84-V86 PolarHBondContact O-N 3.05Å; E84-R87 PolarHBondContact O-N 2.96Å; E84-A88 PolarHBondContact O-N 3.03Å; E84-H164 IonicContact OE1-ND1 3.33Å; E84-H164 WeakPolarHBondContact OE2-CB 3.31Å; E84-H164 IonicContact OE2-CE1 2.83Å; E84-H164 IonicContact OE2-CG 3.02Å; E84-H164 IonicContact OE2-ND1 3.3Å; E84-H164 PolarHBondContact OE2-ND1 2.78Å
85A98.7Very high98.2Very high0 Ų058.1 Ų58.10%029%0.285CS..Hα-helixtrans-60.5-46.7177.900000112.4W60 T81 A82 R87 A88 L89 G157 M161W60-A85 HydrophobicContact CD2-CB 4.3Å; W60-A85 HydrophobicContact CE3-CB 4.04Å; W60-A85 HydrophobicContact CH2-CB 3.37Å; W60-A85 HydrophobicContact CZ2-CB 3.64Å; W60-A85 HydrophobicContact CZ3-CB 3.58Å; T81-A85 WeakPolarHBondContact O-CB 3.11Å; T81-A85 PolarHBondContact O-N 3.45Å; A82-A85 PolarHBondContact O-N 3.39Å; A85-R87 PolarHBondContact O-N 2.9Å; A85-A88 PolarHBondContact O-N 3.39Å; A85-L89 VanDerWaalsContact O-CB 3.31Å; A85-L89 WeakPolarHBondContact O-CB 3.39Å; A85-L89 PolarHBondContact O-N 3.04Å; A85-G157 VanDerWaalsContact CB-O 3.3Å; A85-G157 WeakPolarHBondContact CB-O 3.28Å; A85-G157 WeakPolarHBondContact O-CA 3.3Å; A85-M161 HydrophobicContact CB-CB 4.17Å
86V98.8Very high98.1Very high14 Ų1460.8 Ų60.89%0.08530%0.3CS..Hα-helixtrans-64.4-37.4178.1165.60000112W60 A82 E84 R90 Y97 V99W60-V86 HydrophobicContact CB-CG2 3.69Å; W60-V86 HydrophobicContact CD2-CG2 4.32Å; W60-V86 HydrophobicContact CE3-CG2 4.12Å; W60-V86 HydrophobicContact CG-CG2 4.19Å; A82-V86 WeakPolarHBondContact O-CB 3.29Å; A82-V86 WeakPolarHBondContact O-CG2 3.49Å; A82-V86 PolarHBondContact O-N 3.31Å; E84-V86 PolarHBondContact O-N 3.05Å; V86-R90 VanDerWaalsContact O-CB 3.23Å; V86-R90 WeakPolarHBondContact O-CB 3.45Å; V86-R90 PolarHBondContact O-N 2.67Å; V86-Y97 VanDerWaalsContact CG1-O 3.31Å; V86-Y97 WeakPolarHBondContact CG1-O 3.19Å; V86-V99 HydrophobicContact CB-CG2 4.24Å; V86-V99 HydrophobicContact CG2-CG2 3.74Å
87R98.7Very high98.1Very high145 Ų14554.6 Ų54.655%0.54727%0.266SS..Hα-helixtrans-63.4-45.2174-78.5-171.7-62.3-93.66.2111.8H83 E84 A85 R90 S91H83-R87 WeakPolarHBondContact O-CB 3.3Å; H83-R87 VanDerWaalsContact O-CG 3.3Å; H83-R87 WeakPolarHBondContact O-CG 3.46Å; H83-R87 PolarHBondContact O-N 3.21Å; E84-R87 PolarHBondContact O-N 2.96Å; A85-R87 PolarHBondContact O-N 2.9Å; R87-R90 PolarHBondContact O-N 3.22Å; R87-S91 PolarHBondContact O-N 2.97Å; R87-S91 VanDerWaalsContact O-N 3.12Å
88A98.7Very high98.2Very high24 Ų2458.3 Ų58.320%0.19828%0.278CS..Hα-helixtrans-62.8-47.2178.300000111E84 A85 R90 S91 A160E84-A88 PolarHBondContact O-N 3.03Å; A85-A88 PolarHBondContact O-N 3.39Å; A88-R90 PolarHBondContact O-N 3.11Å; A88-S91 WeakPolarHBondContact O-CB 3.23Å; A88-S91 PolarHBondContact O-N 2.8Å; A88-S91 VanDerWaalsContact O-N 3.11Å; A88-S91 PolarHBondContact O-OG 2.63Å; A88-A160 HydrophobicContact CB-CB 3.4Å; A88-A160 VanDerWaalsContact CB-CB 3.4Å
89L98.6Very high98.2Very high0 Ų059.3 Ų59.30%028%0.284CS..Hα-helixtrans-55.7-50.7175.5-174.6152.7000111.5A85 S91 V92 S95 Y97 E153 I154A85-L89 VanDerWaalsContact O-CB 3.31Å; A85-L89 WeakPolarHBondContact O-CB 3.39Å; A85-L89 PolarHBondContact O-N 3.04Å; L89-S91 PolarHBondContact O-N 2.85Å; L89-V92 PolarHBondContact O-N 3.46Å; L89-V92 VanDerWaalsContact O-N 3.15Å; L89-S95 WeakPolarHBondContact CD2-OG 3.27Å; L89-Y97 HydrophobicContact CD1-CD1 4.34Å; L89-Y97 HydrophobicContact CD1-CD2 4.44Å; L89-Y97 HydrophobicContact CD1-CE1 4.2Å; L89-Y97 HydrophobicContact CD1-CE2 4.35Å; L89-Y97 HydrophobicContact CD1-CG 4.45Å; L89-Y97 HydrophobicContact CD2-CD2 3.47Å; L89-Y97 VanDerWaalsContact CD2-CD2 3.47Å; L89-Y97 HydrophobicContact CD2-CE2 3.63Å; L89-Y97 HydrophobicContact CD2-CG 4.06Å; L89-E153 HydrophobicContact CD1-CB 4.38Å; L89-E153 HydrophobicContact CD2-CB 4Å; L89-E153 HydrophobicContact CD2-CG 4.17Å; L89-E153 HydrophobicContact CG-CB 3.79Å; L89-E153 HydrophobicContact CG-CG 4.34Å; L89-E153 VanDerWaalsContact CG-O 3.29Å; L89-E153 WeakPolarHBondContact CG-O 3.48Å; L89-I154 HydrophobicContact CD1-CD1 4.22Å
90R98.4Very high98.2Very high130 Ų13058 Ų5849%0.49128%0.277SS..Hα-helixtrans-61.3-25.9179.2179.1171.2178.4173.9-0.3113.1V86 R87 A88 V92 H94 S95 N96V86-R90 VanDerWaalsContact O-CB 3.23Å; V86-R90 WeakPolarHBondContact O-CB 3.45Å; V86-R90 PolarHBondContact O-N 2.67Å; R87-R90 PolarHBondContact O-N 3.22Å; A88-R90 PolarHBondContact O-N 3.11Å; R90-V92 PolarHBondContact O-N 3.2Å; R90-H94 WeakPolarHBondContact O-CA 3.38Å; R90-H94 PolarHBondContact O-N 3.34Å; R90-H94 PolarHBondContact O-ND1 2.6Å; R90-S95 WeakPolarHBondContact CB-O 3.37Å; R90-S95 WeakPolarHBondContact CG-O 3.15Å; R90-N96 PolarHBondContact NH1-OD1 2.9Å
91S98.5Very high98.2Very high88 Ų8855.1 Ų55.162%0.61526%0.261SS*.Hα-helixtrans-70.9-16.5-179.875.80000113.5R87 A88 L89R87-S91 PolarHBondContact O-N 2.97Å; R87-S91 VanDerWaalsContact O-N 3.12Å; A88-S91 WeakPolarHBondContact O-CB 3.23Å; A88-S91 PolarHBondContact O-N 2.8Å; A88-S91 VanDerWaalsContact O-N 3.11Å; A88-S91 PolarHBondContact O-OG 2.63Å; L89-S91 PolarHBondContact O-N 2.85Å
92V98.6Very high98.2Very high49 Ų4955.7 Ų55.730%0.29727%0.265SS..Hα-helixtrans-79.8-64.1-178.4-171.80000111.7L89 R90 E152 E153 A156L89-V92 PolarHBondContact O-N 3.46Å; L89-V92 VanDerWaalsContact O-N 3.15Å; R90-V92 PolarHBondContact O-N 3.2Å; V92-E152 HydrophobicContact CG1-CB 4.03Å; V92-E153 HydrophobicContact CB-CG 4.01Å; V92-E153 HydrophobicContact CG1-CG 4.41Å; V92-A156 HydrophobicContact CG2-CB 3.46Å; V92-A156 VanDerWaalsContact CG2-CB 3.46Å
93H98.2Very high98.1Very high79 Ų7955.9 Ų55.937%0.36627%0.267SS..Hα-helixtrans-129.420.9-178.9-55.9-64.7000113.9S95 P149 E152 E153H93-S95 VanDerWaalsContact C-N 3.26Å; H93-S95 PolarHBondContact O-N 3.04Å; H93-P149 PolarHBondContact CD2-O 3.48Å; H93-E152 IonicContact CD2-OE2 3.94Å; H93-E152 IonicContact CE1-OE2 2.68Å; H93-E152 PolarHBondContact CE1-OE2 3.35Å; H93-E152 IonicContact NE2-OE2 3.69Å; H93-E152 PolarHBondContact NE2-OE2 2.72Å; H93-E153 HydrophobicContact CB-CG 4.32Å; H93-E153 VanDerWaalsContact CB-OE1 3.25Å; H93-E153 WeakPolarHBondContact CB-OE1 3.41Å
94H97.5Very high98Very high148 Ų14857.6 Ų57.669%0.68528%0.275SS*.  trans6321173.8-50.2-47.5000116.1R90R90-H94 WeakPolarHBondContact O-CA 3.38Å; R90-H94 PolarHBondContact O-N 3.34Å; R90-H94 PolarHBondContact O-ND1 2.6Å
95S96.3Very high97.8Very high8 Ų858.1 Ų58.16%0.05628%0.279CS..  trans-62.8148.1170.266.40000111.4L89 R90 H93 Y97 E153L89-S95 WeakPolarHBondContact CD2-OG 3.27Å; R90-S95 WeakPolarHBondContact CB-O 3.37Å; R90-S95 WeakPolarHBondContact CG-O 3.15Å; H93-S95 VanDerWaalsContact C-N 3.26Å; H93-S95 PolarHBondContact O-N 3.04Å; S95-Y97 WeakPolarHBondContact OG-CD2 3.4Å; S95-Y97 WeakPolarHBondContact OG-CE2 3.27Å; S95-E153 WeakPolarHBondContact CB-OE1 3.16Å; S95-E153 VanDerWaalsContact CB-OE2 3.27Å; S95-E153 WeakPolarHBondContact CB-OE2 3.33Å; S95-E153 PolarHBondContact N-OE1 2.82Å; S95-E153 PolarHBondContact OG-OE1 3.26Å; S95-E153 PolarHBondContact OG-OE2 3.02Å
96N95.9Very high97.7Very high95 Ų9564 Ų6451%0.50830%0.302SS..  trans-109.775.3-171.5-166.233.7000109.8Q58 R90Q58-N96 PolarHBondContact NE2-O 3.47Å; R90-N96 PolarHBondContact NH1-OD1 2.9Å
97Y98.6Very high97.6Very high7 Ų765.6 Ų65.63%0.02731%0.313CS..  trans-73.4142.6174.2-78.6-123.7000110.1Q58 V86 L89 S95 V128 E129 L130 R131Q58-Y97 VanDerWaalsContact C-CD1 3.45Å; Q58-Y97 HydrophobicContact CB-CD1 4.11Å; Q58-Y97 HydrophobicContact CB-CD2 3.56Å; Q58-Y97 HydrophobicContact CB-CE1 4.24Å; Q58-Y97 HydrophobicContact CB-CE2 3.67Å; Q58-Y97 HydrophobicContact CB-CG 3.79Å; Q58-Y97 HydrophobicContact CG-CD2 3.9Å; Q58-Y97 HydrophobicContact CG-CE2 3.52Å; Q58-Y97 WeakPolarHBondContact O-CA 3.31Å; V86-Y97 VanDerWaalsContact CG1-O 3.31Å; V86-Y97 WeakPolarHBondContact CG1-O 3.19Å; L89-Y97 HydrophobicContact CD1-CD1 4.34Å; L89-Y97 HydrophobicContact CD1-CD2 4.44Å; L89-Y97 HydrophobicContact CD1-CE1 4.2Å; L89-Y97 HydrophobicContact CD1-CE2 4.35Å; L89-Y97 HydrophobicContact CD1-CG 4.45Å; L89-Y97 HydrophobicContact CD2-CD2 3.47Å; L89-Y97 VanDerWaalsContact CD2-CD2 3.47Å; L89-Y97 HydrophobicContact CD2-CE2 3.63Å; L89-Y97 HydrophobicContact CD2-CG 4.06Å; S95-Y97 WeakPolarHBondContact OG-CD2 3.4Å; S95-Y97 WeakPolarHBondContact OG-CE2 3.27Å; Y97-V128 HydrophobicContact CD1-CG1 4.36Å; Y97-V128 HydrophobicContact CE1-CG1 3.92Å; Y97-E129 VanDerWaalsContact CE1-O 3.23Å; Y97-E129 WeakPolarHBondContact CE1-O 3.46Å; Y97-L130 HydrophobicContact CE1-CD2 4.4Å; Y97-L130 VanDerWaalsContact OH-CA 3.25Å; Y97-L130 WeakPolarHBondContact OH-CA 3.32Å; Y97-R131 PolarHBondContact OH-N 3.12Å
98R98.4Very high97.5Very high139 Ų13959 Ų5953%0.52529%0.289SS..EExtended strand (participates in β ladder)trans-108136.9174.4-63.3-178.8-67.7153.3-1.2110.4Q58 L59 W60Q58-R98 PolarHBondContact O-N 3.49Å; L59-R98 WeakPolarHBondContact CA-O 3.43Å; L59-R98 HydrophobicContact CD2-CB 3.95Å; W60-R98 PolarHBondContact N-O 3.49Å
99V98.7Very high97.5Very high21 Ų2157.9 Ų57.913%0.12728%0.28CS..EExtended strand (participates in β ladder)trans-86126.8169.1-178.20000108.4W60 M62 A82 V86W60-V99 HydrophobicContact CB-CG2 4.34Å; W60-V99 VanDerWaalsContact O-CA 3.31Å; W60-V99 WeakPolarHBondContact O-CA 3.41Å; M62-V99 HydrophobicContact CE-CG1 3.85Å; M62-V99 HydrophobicContact SD-CG1 4.48Å; A82-V99 HydrophobicContact CB-CG1 3.67Å; A82-V99 HydrophobicContact CB-CG2 3.98Å; V86-V99 HydrophobicContact CB-CG2 4.24Å; V86-V99 HydrophobicContact CG2-CG2 3.74Å
100L97.9Very high97.4Very high35 Ų3557.9 Ų57.918%0.18328%0.28CS..EExtended strand (participates in β ladder)trans-143.1157177.2-61.3174000109.9L59 W60 L61 M62L59-L100 HydrophobicContact CD2-CD1 4Å; W60-L100 PolarHBondContact O-N 3.37Å; W60-L100 VanDerWaalsContact O-N 3.08Å; L61-L100 CarbonylContact C-O 3.51Å; L61-L100 VanDerWaalsContact CA-O 3.3Å; L61-L100 WeakPolarHBondContact CA-O 3.38Å; L61-L100 HydrophobicContact CD2-CB 3.92Å; M62-L100 PolarHBondContact N-O 2.92Å
101R97.5Very high97.4Very high47 Ų4752.4 Ų52.418%0.17726%0.26CS..EExtended strand (participates in β ladder)trans-73.2137.6158.1-61-178.1-63119-5.4108.7M62 V68 L75 A103 Q104M62-R101 HydrophobicContact CE-CG 4.31Å; M62-R101 CarbonylContact O-C 3.55Å; M62-R101 WeakPolarHBondContact O-CA 3.25Å; V68-R101 PolarHBondContact O-NH1 3.48Å; V68-R101 PolarHBondContact O-NH2 3.09Å; L75-R101 HydrophobicContact CD1-CG 4.41Å; R101-A103 PolarHBondContact O-N 2.69Å; R101-Q104 HydrophobicContact CB-CG 4.1Å; R101-Q104 VanDerWaalsContact O-CB 3.28Å; R101-Q104 WeakPolarHBondContact O-CB 3.41Å; R101-Q104 PolarHBondContact O-N 2.93Å
102S97.8Very high97.4Very high13 Ų1348.5 Ų48.59%0.09123%0.234CC..Hα-helixtrans-50.9-44.3-177.7-67.70000112.1L61 M62 Q104 L105 Y106L61-S102 WeakPolarHBondContact CB-OG 3.31Å; M62-S102 PolarHBondContact O-N 3.01Å; M62-S102 PolarHBondContact O-OG 3.49Å; S102-Q104 PolarHBondContact O-N 3.24Å; S102-L105 WeakPolarHBondContact O-CB 3.43Å; S102-L105 PolarHBondContact O-N 3.45Å; S102-Y106 PolarHBondContact O-N 3.02Å
103A97.5Very high97.4Very high3 Ų346.3 Ų46.33%0.02522%0.22CC..Hα-helixtrans-65.3-19.5179.500000114.4F64 G65 V68 R101 L105 Y106F64-A103 WeakPolarHBondContact O-CB 3.23Å; F64-A103 PolarHBondContact O-N 2.93Å; G65-A103 WeakPolarHBondContact O-CB 3.31Å; V68-A103 HydrophobicContact CB-CB 4.39Å; V68-A103 HydrophobicContact CG1-CB 3.88Å; V68-A103 WeakPolarHBondContact CG1-O 3.12Å; R101-A103 PolarHBondContact O-N 2.69Å; A103-L105 VanDerWaalsContact C-N 3.29Å; A103-Y106 CarbonylContact O-C 3.56Å
104Q96.9Very high97.4Very high106 Ų10642.5 Ų42.550%0.49520%0.203SC..Hα-helixtrans-73.6-21.3174.1-64.5174.3-61.400112.7R101 S102R101-Q104 HydrophobicContact CB-CG 4.1Å; R101-Q104 VanDerWaalsContact O-CB 3.28Å; R101-Q104 WeakPolarHBondContact O-CB 3.41Å; R101-Q104 PolarHBondContact O-N 2.93Å; S102-Q104 PolarHBondContact O-N 3.24Å
105L94.4Very high97.4Very high69 Ų6936.2 Ų36.236%0.36117%0.173SC..Hα-helixtrans-75.8-58.4170.7-177.865.8000109.4L59 L61 S102 A103L59-L105 HydrophobicContact CD1-CD1 4.04Å; L59-L105 HydrophobicContact CD1-CD2 3.95Å; L61-L105 HydrophobicContact CD1-CD2 4.37Å; S102-L105 WeakPolarHBondContact O-CB 3.43Å; S102-L105 PolarHBondContact O-N 3.45Å; A103-L105 VanDerWaalsContact C-N 3.29Å
106Y95.2Very high97.5Very high123 Ų12335.8 Ų35.848%0.48217%0.17SC..  trans-167.1146.7163.853.8-94.5000108.5R2 S102 A103 A108R2-Y106 PolarHBondContact NH2-OH 3.33Å; S102-Y106 PolarHBondContact O-N 3.02Å; A103-Y106 CarbonylContact O-C 3.56Å; Y106-A108 HydrophobicContact CD2-CB 3.99Å; Y106-A108 HydrophobicContact CE2-CB 3.75Å; Y106-A108 PolarHBondContact O-N 2.78Å
107P96.9Very high97.6Very high48 Ų4832.6 Ų32.631%0.31215%0.152SC..  trans-63.2131173.7-27.137.9000112.3T11 G12 G65 V68T11-P107 HydrophobicContact CG2-CB 3.52Å; G12-P107 WeakPolarHBondContact CA-O 3.39Å; G65-P107 CarbonylContact O-C 3.5Å; G65-P107 WeakPolarHBondContact O-CA 3.29Å; V68-P107 HydrophobicContact CG1-CG 4.08Å
108A97.4Very high97.6Very high6 Ų636 Ų365%0.0517%0.167CC..  trans-152.1135.5176.400000112.4G65 Y66 Y106G65-A108 CarbonylContact C-O 3.2Å; G65-A108 PolarHBondContact O-N 3.24Å; Y66-A108 VanDerWaalsContact CA-O 3.23Å; Y66-A108 WeakPolarHBondContact CA-O 3.49Å; Y66-A108 PolarHBondContact N-O 2.75Å; Y106-A108 HydrophobicContact CD2-CB 3.99Å; Y106-A108 HydrophobicContact CE2-CB 3.75Å; Y106-A108 PolarHBondContact O-N 2.78Å
109S97.6Very high97.5Very high1 Ų133.8 Ų33.81%0.00716%0.161CC..  trans-96.6162.6-178.2-60.70000113.6R2 E7 T11 D111R2-S109 WeakPolarHBondContact CD-O 3.48Å; E7-S109 WeakPolarHBondContact O-CB 3.49Å; E7-S109 PolarHBondContact O-OG 3.11Å; E7-S109 VanDerWaalsContact O-OG 3.07Å; T11-S109 PolarHBondContact N-OG 3.11Å; T11-S109 WeakPolarHBondContact O-CB 3.33Å; T11-S109 PolarHBondContact O-N 2.84Å; T11-S109 PolarHBondContact O-OG 2.88Å; S109-D111 PolarHBondContact O-N 2.85Å
110G98Very high97.5Very high0 Ų033.6 Ų33.60%016%0.16CC..SBendtrans72.921.9169.100000115.1F1 R2 N3 F4 V6F1-G110 CarbonylContact C-O 3.54Å; F1-G110 CarbonylContact O-C 3.59Å; F1-G110 VanDerWaalsContact O-O 3.06Å; R2-G110 CarbonylContact C-O 3.53Å; R2-G110 VanDerWaalsContact CA-O 3.31Å; R2-G110 WeakPolarHBondContact CA-O 3.3Å; N3-G110 PolarHBondContact N-O 3.21Å; F4-G110 WeakPolarHBondContact CB-O 3.22Å; F4-G110 PolarHBondContact N-O 3.08Å; F4-G110 VanDerWaalsContact O-CA 3.32Å; F4-G110 WeakPolarHBondContact O-CA 3.44Å; V6-G110 WeakPolarHBondContact O-CA 3.35Å; V6-G110 PolarHBondContact O-N 3.09Å
111D97.5Very high97.5Very high15 Ų1537.9 Ų37.98%0.0818%0.177CC..  trans-84.6157.1171.370.893.2000112.7F1 V6 S109 P113 D114 W115F1-D111 WeakPolarHBondContact O-CA 3.43Å; V6-D111 WeakPolarHBondContact CG1-O 3.35Å; S109-D111 PolarHBondContact O-N 2.85Å; D111-P113 WeakPolarHBondContact OD1-CD 3.1Å; D111-D114 WeakPolarHBondContact OD1-CB 2.97Å; D111-D114 PolarHBondContact OD1-N 3.2Å; D111-D114 WeakPolarHBondContact OD2-CB 3.36Å; D111-W115 PolarHBondContact O-N 2.85Å
112A98.1Very high97.5Very high6 Ų635.7 Ų35.75%0.0517%0.169CC..Hα-helixtrans-68.1-48.9-175.900000113.2F4 Y50 D114 W115 V116F4-A112 HydrophobicContact CD1-CB 4.08Å; F4-A112 HydrophobicContact CD2-CB 3.92Å; F4-A112 HydrophobicContact CE1-CB 3.72Å; F4-A112 HydrophobicContact CE2-CB 3.54Å; F4-A112 HydrophobicContact CG-CB 4.2Å; F4-A112 HydrophobicContact CZ-CB 3.45Å; F4-A112 VanDerWaalsContact CZ-CB 3.45Å; Y50-A112 HydrophobicContact CE1-CB 3.99Å; Y50-A112 VanDerWaalsContact OH-CB 3.29Å; Y50-A112 WeakPolarHBondContact OH-CB 3.01Å; A112-D114 VanDerWaalsContact C-N 3.29Å; A112-D114 PolarHBondContact O-N 2.83Å; A112-W115 PolarHBondContact O-N 2.73Å; A112-W115 VanDerWaalsContact O-N 3.15Å; A112-V116 WeakPolarHBondContact O-CB 3.14Å; A112-V116 VanDerWaalsContact O-CG2 3.3Å; A112-V116 WeakPolarHBondContact O-CG2 3.3Å; A112-V116 PolarHBondContact O-N 3.19Å
113P98.3Very high97.4Very high3 Ų336.7 Ų36.72%0.01918%0.175CC..Hα-helixtrans-59.4-38-178.6-6.75.8000113.9Y50 A52 D111 K117 S125 T127Y50-P113 HydrophobicContact CD1-CB 4.47Å; Y50-P113 HydrophobicContact CE1-CB 4.45Å; Y50-P113 HydrophobicContact CE1-CG 4.31Å; A52-P113 HydrophobicContact CB-CG 4.27Å; D111-P113 WeakPolarHBondContact OD1-CD 3.1Å; P113-K117 VanDerWaalsContact O-CB 3.29Å; P113-K117 WeakPolarHBondContact O-CB 3.47Å; P113-K117 PolarHBondContact O-N 3.5Å; P113-S125 WeakPolarHBondContact CA-OG 3.16Å; P113-S125 VanDerWaalsContact CB-OG 3.3Å; P113-S125 WeakPolarHBondContact CB-OG 3.48Å; P113-S125 PolarHBondContact O-OG 3Å; P113-T127 WeakPolarHBondContact CG-OG1 3.39Å
114D98.4Very high97.4Very high0 Ų036.6 Ų36.60%017%0.174CC..Hα-helixtrans-62.3-47.9174.2-83.513000111.6V6 P63 F64 G65 Y66 D111 A112 V116 K117 K118V6-D114 HydrophobicContact CG1-CB 3.85Å; V6-D114 HydrophobicContact CG2-CB 4.11Å; P63-D114 WeakPolarHBondContact CB-OD1 3.42Å; F64-D114 VanDerWaalsContact CA-OD1 3.28Å; F64-D114 WeakPolarHBondContact CA-OD1 3.18Å; F64-D114 HydrophobicContact CD1-CB 3.99Å; G65-D114 WeakPolarHBondContact CA-OD2 3.5Å; G65-D114 PolarHBondContact N-OD1 2.77Å; G65-D114 PolarHBondContact N-OD2 2.96Å; Y66-D114 HydrophobicContact CD1-CB 4.39Å; Y66-D114 WeakPolarHBondContact CD1-OD2 3.41Å; Y66-D114 PolarHBondContact N-OD2 3Å; Y66-D114 VanDerWaalsContact N-OD2 3.08Å; D111-D114 WeakPolarHBondContact OD1-CB 2.97Å; D111-D114 PolarHBondContact OD1-N 3.2Å; D111-D114 WeakPolarHBondContact OD2-CB 3.36Å; A112-D114 VanDerWaalsContact C-N 3.29Å; A112-D114 PolarHBondContact O-N 2.83Å; D114-V116 PolarHBondContact O-N 3.42Å; D114-K117 PolarHBondContact O-N 2.83Å; D114-K118 VanDerWaalsContact O-CB 3.3Å; D114-K118 WeakPolarHBondContact O-CB 3.29Å; D114-K118 PolarHBondContact O-N 2.82Å
115W98.5Very high97.5Very high15 Ų1531.5 Ų31.56%0.05715%0.15CC..Hα-helixtrans-63.9-43.9179.2178.486.6000111.5F4 V6 F28 L40 K41 D111 A112 K117 K118 F119 T120F4-W115 HydrophobicContact CB-CB 3.74Å; F4-W115 HydrophobicContact CB-CG 4.11Å; F4-W115 HydrophobicContact CD1-CB 3.88Å; F4-W115 AromaticContact CD1-CD2 3.98Å; F4-W115 HydrophobicContact CD1-CD2 3.98Å; F4-W115 AromaticContact CD1-CE3 3.96Å; F4-W115 HydrophobicContact CD1-CE3 3.96Å; F4-W115 AromaticContact CD1-CG 3.94Å; F4-W115 HydrophobicContact CD1-CG 3.94Å; F4-W115 HydrophobicContact CE1-CE3 4.29Å; F4-W115 HydrophobicContact CG-CB 4.2Å; V6-W115 HydrophobicContact CB-CB 4.03Å; V6-W115 HydrophobicContact CG1-CB 3.75Å; F28-W115 HydrophobicContact CE2-CZ2 4.42Å; F28-W115 AromaticContact CE2-NE1 3.89Å; F28-W115 AromaticContact CZ-CD1 3.9Å; F28-W115 HydrophobicContact CZ-CD2 4.05Å; F28-W115 AromaticContact CZ-CE2 3.58Å; F28-W115 HydrophobicContact CZ-CG 4.25Å; F28-W115 AromaticContact CZ-CZ2 3.93Å; F28-W115 HydrophobicContact CZ-CZ2 3.93Å; F28-W115 AromaticContact CZ-NE1 3.49Å; L40-W115 HydrophobicContact CB-CZ3 4.3Å; L40-W115 HydrophobicContact CD1-CZ3 4.27Å; K41-W115 HydrophobicContact CG-CH2 3.64Å; K41-W115 HydrophobicContact CG-CZ2 4.11Å; D111-W115 PolarHBondContact O-N 2.85Å; A112-W115 PolarHBondContact O-N 2.73Å; A112-W115 VanDerWaalsContact O-N 3.15Å; W115-K117 VanDerWaalsContact C-N 3.3Å; W115-K117 PolarHBondContact O-N 2.86Å; W115-K118 PolarHBondContact O-N 3.03Å; W115-F119 AromaticContact CD1-CD2 3.41Å; W115-F119 VanDerWaalsContact CD1-CD2 3.41Å; W115-F119 HydrophobicContact CG-CD2 4.1Å; W115-F119 AromaticContact NE1-CD2 3.76Å; W115-F119 WeakPolarHBondContact O-CB 3.3Å; W115-F119 PolarHBondContact O-N 2.86Å; W115-T120 HydrophobicContact CE3-CG2 4.21Å; W115-T120 HydrophobicContact CH2-CG2 3.99Å; W115-T120 HydrophobicContact CZ3-CG2 3.68Å
116V98.5Very high97.7Very high0 Ų028.2 Ų28.20%013%0.133CC..Hα-helixtrans-55.9-50174.7169.20000109.7L40 Y50 A112 D114 K118 T120 I122L40-V116 HydrophobicContact CD1-CG2 3.75Å; Y50-V116 HydrophobicContact CD1-CB 4.38Å; Y50-V116 HydrophobicContact CD1-CG2 4.03Å; Y50-V116 HydrophobicContact CD2-CG2 4.29Å; Y50-V116 HydrophobicContact CE1-CG2 4.35Å; Y50-V116 HydrophobicContact CG-CB 4.48Å; Y50-V116 HydrophobicContact CG-CG1 4.24Å; Y50-V116 HydrophobicContact CG-CG2 4Å; A112-V116 WeakPolarHBondContact O-CB 3.14Å; A112-V116 VanDerWaalsContact O-CG2 3.3Å; A112-V116 WeakPolarHBondContact O-CG2 3.3Å; A112-V116 PolarHBondContact O-N 3.19Å; D114-V116 PolarHBondContact O-N 3.42Å; V116-K118 PolarHBondContact O-N 3.26Å; V116-T120 WeakPolarHBondContact O-CB 3.38Å; V116-T120 PolarHBondContact O-N 2.9Å; V116-T120 PolarHBondContact O-OG1 3.29Å; V116-I122 HydrophobicContact CG1-CB 3.8Å; V116-I122 HydrophobicContact CG1-CD1 3.9Å; V116-I122 HydrophobicContact CG1-CG1 4.39Å; V116-I122 HydrophobicContact CG1-CG2 4.04Å
117K98Very high97.9Very high27 Ų2723 Ų2312%0.11711%0.114CC..Hα-helixtrans-67.7-37-175.8-176.459.5-170163.50113.3P63 F64 P72 N74 P113 D114 W115 P123P63-K117 HydrophobicContact CB-CB 4.11Å; P63-K117 HydrophobicContact CB-CG 4.18Å; P63-K117 HydrophobicContact CG-CB 3.88Å; P63-K117 HydrophobicContact CG-CD 4.44Å; P63-K117 HydrophobicContact CG-CG 3.71Å; F64-K117 HydrophobicContact CE1-CB 4Å; F64-K117 HydrophobicContact CE1-CG 4.04Å; F64-K117 HydrophobicContact CZ-CB 4.42Å; F64-K117 HydrophobicContact CZ-CG 4Å; P72-K117 HydrophobicContact CB-CD 4.34Å; P72-K117 HydrophobicContact CB-CG 4.01Å; N74-K117 WeakPolarHBondContact OD1-CE 3.4Å; N74-K117 PolarHBondContact OD1-NZ 3.49Å; P113-K117 VanDerWaalsContact O-CB 3.29Å; P113-K117 WeakPolarHBondContact O-CB 3.47Å; P113-K117 PolarHBondContact O-N 3.5Å; D114-K117 PolarHBondContact O-N 2.83Å; W115-K117 VanDerWaalsContact C-N 3.3Å; W115-K117 PolarHBondContact O-N 2.86Å; K117-P123 PolarHBondContact NZ-O 2.98Å
118K97.7Very high97.9Very high79 Ų7920.7 Ų20.734%0.34310%0.099SC..Hα-helixtrans-82.1-39.3-175.7-167.3166.6-1771700112.6V6 E7 F64 Y66 D114 W115 V116V6-K118 HydrophobicContact CG2-CD 3.91Å; E7-K118 IonicContact OE1-NZ 3.44Å; E7-K118 PolarHBondContact OE1-NZ 3.38Å; F64-K118 HydrophobicContact CE1-CB 3.76Å; F64-K118 HydrophobicContact CE1-CG 4.47Å; F64-K118 HydrophobicContact CZ-CB 4Å; F64-K118 HydrophobicContact CZ-CG 4.4Å; Y66-K118 HydrophobicContact CE1-CD 4.22Å; Y66-K118 PolarHBondContact OH-NZ 2.92Å; D114-K118 VanDerWaalsContact O-CB 3.3Å; D114-K118 WeakPolarHBondContact O-CB 3.29Å; D114-K118 PolarHBondContact O-N 2.82Å; W115-K118 PolarHBondContact O-N 3.03Å; V116-K118 PolarHBondContact O-N 3.26Å
119F98Very high98Very high93 Ų9321.7 Ų21.741%0.40810%0.103SC..Hα-helixtrans-114.1-9.9-166.2-65.2-71000114.4D5 V6 K41 W115D5-F119 WeakPolarHBondContact O-CE2 3.36Å; V6-F119 HydrophobicContact CB-CD2 4.49Å; V6-F119 HydrophobicContact CB-CE2 3.99Å; V6-F119 HydrophobicContact CG2-CE2 4.09Å; K41-F119 WeakPolarHBondContact CE-O 3.4Å; K41-F119 PolarHBondContact NZ-O 3.15Å; W115-F119 AromaticContact CD1-CD2 3.41Å; W115-F119 VanDerWaalsContact CD1-CD2 3.41Å; W115-F119 HydrophobicContact CG-CD2 4.1Å; W115-F119 AromaticContact NE1-CD2 3.76Å; W115-F119 WeakPolarHBondContact O-CB 3.3Å; W115-F119 PolarHBondContact O-N 2.86Å
120T98.1Very high98Very high17 Ų1723 Ų2310%0.10411%0.109CC..SBendtrans-109.7173.6174.878.80000111.8E44 W115 V116 I122E44-T120 WeakPolarHBondContact OE2-CA 3.45Å; W115-T120 HydrophobicContact CE3-CG2 4.21Å; W115-T120 HydrophobicContact CH2-CG2 3.99Å; W115-T120 HydrophobicContact CZ3-CG2 3.68Å; V116-T120 WeakPolarHBondContact O-CB 3.38Å; V116-T120 PolarHBondContact O-N 2.9Å; V116-T120 PolarHBondContact O-OG1 3.29Å; T120-I122 VanDerWaalsContact C-N 3.28Å; T120-I122 WeakPolarHBondContact OG1-CB 3.08Å; T120-I122 WeakPolarHBondContact OG1-CG1 3.46Å; T120-I122 PolarHBondContact OG1-N 3.31Å; T120-I122 VanDerWaalsContact OG1-N 3.16Å
121K96.8Very high98.1Very high125 Ų12524.2 Ų24.254%0.54311%0.114SC..SBendtrans-84.41.3172.3-60.5179-164.3169.10113.9E44 D45 P123E44-K121 HydrophobicContact CB-CB 4.36Å; E44-K121 HydrophobicContact CG-CB 4.29Å; E44-K121 HydrophobicContact CG-CD 4.19Å; E44-K121 HydrophobicContact CG-CG 4.2Å; E44-K121 WeakPolarHBondContact OE1-CE 3.5Å; E44-K121 PolarHBondContact OE2-N 2.89Å; D45-K121 WeakPolarHBondContact OD1-CD 3.5Å; D45-K121 WeakPolarHBondContact OD1-CE 3.36Å; D45-K121 IonicContact OD1-NZ 3.74Å; D45-K121 PolarHBondContact OD1-NZ 3.05Å; D45-K121 IonicContact OD2-NZ 2.75Å; K121-P123 WeakPolarHBondContact O-CD 3.04Å
122I97.3Very high98.1Very high1 Ų123.8 Ų23.81%0.00511%0.112CC..  trans-71.8114.2-176.5-57.9168.7000109.2L40 I47 V116 T120L40-I122 HydrophobicContact CB-CD1 4.49Å; L40-I122 HydrophobicContact CD2-CD1 3.93Å; I47-I122 HydrophobicContact CB-CD1 3.92Å; I47-I122 HydrophobicContact CB-CG1 4.02Å; I47-I122 HydrophobicContact CG2-CD1 3.62Å; I47-I122 HydrophobicContact CG2-CG1 3.93Å; I47-I122 HydrophobicContact CG2-CG2 4.11Å; I47-I122 WeakPolarHBondContact O-CG1 3.42Å; V116-I122 HydrophobicContact CG1-CB 3.8Å; V116-I122 HydrophobicContact CG1-CD1 3.9Å; V116-I122 HydrophobicContact CG1-CG1 4.39Å; V116-I122 HydrophobicContact CG1-CG2 4.04Å; T120-I122 VanDerWaalsContact C-N 3.28Å; T120-I122 WeakPolarHBondContact OG1-CB 3.08Å; T120-I122 WeakPolarHBondContact OG1-CG1 3.46Å; T120-I122 PolarHBondContact OG1-N 3.31Å; T120-I122 VanDerWaalsContact OG1-N 3.16Å
123P96.3Very high98Very high33 Ų3326.1 Ų26.121%0.21412%0.124CC..  trans-75.9-36.9-169.923.9-29.8000114.1V48 N74 K117 K121 M169V48-P123 VanDerWaalsContact O-CD 3.23Å; V48-P123 WeakPolarHBondContact O-CD 3.3Å; V48-P123 WeakPolarHBondContact O-CG 3.34Å; N74-P123 PolarHBondContact ND2-O 3.33Å; K117-P123 PolarHBondContact NZ-O 2.98Å; K121-P123 WeakPolarHBondContact O-CD 3.04Å; P123-M169 HydrophobicContact CG-SD 4.32Å
124Y98.1Very high97.9Very high1 Ų128.9 Ų28.90%0.00414%0.136CC..EExtended strand (participates in β ladder)trans-103.1122.3-178.5-57-93000110.4V48 A49 Y50 E77 L78 T81 V165 M169V48-Y124 WeakPolarHBondContact O-CD2 3.37Å; V48-Y124 PolarHBondContact O-N 3.27Å; A49-Y124 CarbonylContact C-O 3.46Å; A49-Y124 VanDerWaalsContact CA-O 3.25Å; A49-Y124 WeakPolarHBondContact CA-O 3.25Å; Y50-Y124 PolarHBondContact N-O 3.08Å; E77-Y124 VanDerWaalsContact CD-OH 3.28Å; E77-Y124 HydrophobicContact CG-CE1 3.71Å; E77-Y124 PolarHBondContact OE1-OH 3.2Å; L78-Y124 HydrophobicContact CD2-CD1 4.13Å; T81-Y124 HydrophobicContact CG2-CD1 4.36Å; T81-Y124 HydrophobicContact CG2-CE1 4.49Å; T81-Y124 WeakPolarHBondContact OG1-CE1 3.21Å; Y124-V165 HydrophobicContact CD1-CG2 3.91Å; Y124-V165 HydrophobicContact CD2-CB 4.28Å; Y124-V165 HydrophobicContact CD2-CG1 3.86Å; Y124-V165 HydrophobicContact CD2-CG2 3.5Å; Y124-V165 HydrophobicContact CE1-CG2 3.98Å; Y124-V165 HydrophobicContact CE2-CB 4.07Å; Y124-V165 HydrophobicContact CE2-CG1 3.7Å; Y124-V165 HydrophobicContact CE2-CG2 3.62Å; Y124-V165 HydrophobicContact CG-CG2 3.68Å; Y124-M169 HydrophobicContact CE2-CG 4.26Å; Y124-M169 HydrophobicContact CE2-SD 4.41Å
125S98.3Very high97.8Very high0 Ų036.2 Ų36.20%017%0.165CC..EExtended strand (participates in β ladder)trans-143.4127.2-178-171.40000109.6Y50 P63 P113Y50-S125 CarbonylContact O-C 3.44Å; Y50-S125 VanDerWaalsContact O-CA 3.31Å; Y50-S125 WeakPolarHBondContact O-CA 3.47Å; P63-S125 WeakPolarHBondContact CD-O 3.49Å; P113-S125 WeakPolarHBondContact CA-OG 3.16Å; P113-S125 VanDerWaalsContact CB-OG 3.3Å; P113-S125 WeakPolarHBondContact CB-OG 3.48Å; P113-S125 PolarHBondContact O-OG 3Å
126Y98.7Very high97.6Very high0 Ų043.4 Ų43.40%020%0.199CC..EExtended strand (participates in β ladder)trans-142.9155.7-176-57.9-78.9000112.6Y50 V51 A52 W60 L61 M62 L78 T81 A82 M161Y50-Y126 PolarHBondContact O-N 3.05Å; V51-Y126 WeakPolarHBondContact CA-O 3.23Å; A52-Y126 PolarHBondContact N-O 2.84Å; W60-Y126 AromaticContact CD1-CD1 3.55Å; W60-Y126 HydrophobicContact CZ2-CD2 4.43Å; W60-Y126 AromaticContact NE1-CD1 3.12Å; W60-Y126 AromaticContact NE1-CD2 3.8Å; W60-Y126 AromaticContact NE1-CE1 3.55Å; W60-Y126 AromaticContact NE1-CG 3.25Å; W60-Y126 VanDerWaalsContact NE1-CG 3.25Å; L61-Y126 WeakPolarHBondContact O-CA 3.34Å; M62-Y126 HydrophobicContact CG-CD1 4.02Å; M62-Y126 HydrophobicContact CG-CE1 3.82Å; L78-Y126 WeakPolarHBondContact CA-OH 3.39Å; L78-Y126 HydrophobicContact CB-CE1 4.21Å; L78-Y126 HydrophobicContact CD2-CE1 4.09Å; L78-Y126 HydrophobicContact CD2-CE2 4.3Å; L78-Y126 WeakPolarHBondContact CD2-OH 3.18Å; L78-Y126 PolarHBondContact O-OH 3.01Å; T81-Y126 VanDerWaalsContact CB-OH 3.32Å; T81-Y126 WeakPolarHBondContact CB-OH 3.45Å; A82-Y126 HydrophobicContact CB-CE1 3.96Å; Y126-M161 HydrophobicContact CD2-SD 3.9Å; Y126-M161 HydrophobicContact CE2-CG 4.33Å; Y126-M161 HydrophobicContact CE2-SD 3.94Å
127T98.7Very high97.4Very high12 Ų1248.9 Ų48.97%0.07422%0.223CC..EExtended strand (participates in β ladder)trans-107.9138.7157-73.20000108.7A52 H54 L61 P113A52-T127 CarbonylContact O-C 3.54Å; A52-T127 WeakPolarHBondContact O-CA 3.45Å; H54-T127 HydrophobicContact CB-CG2 4.46Å; L61-T127 WeakPolarHBondContact CA-O 3.28Å; L61-T127 WeakPolarHBondContact CB-O 3.34Å; L61-T127 HydrophobicContact CD1-CG2 4.05Å; L61-T127 PolarHBondContact N-O 2.73Å; L61-T127 PolarHBondContact O-N 3.45Å; P113-T127 WeakPolarHBondContact CG-OG1 3.39Å
128V98.8Very high97.2Very high0 Ų049 Ų490%023%0.232CC..EExtended strand (participates in β ladder)trans-118.5122.1170.3-176.10000109.3V51 A52 L53 H54 L59 W60 Y97 L130 I154V51-V128 HydrophobicContact CG1-CG2 3.82Å; A52-V128 PolarHBondContact O-N 2.84Å; L53-V128 HydrophobicContact CD2-CB 3.86Å; L53-V128 HydrophobicContact CD2-CG2 4.27Å; H54-V128 CarbonylContact C-O 3.5Å; H54-V128 WeakPolarHBondContact CA-O 3.14Å; H54-V128 PolarHBondContact N-O 2.82Å; L59-V128 CarbonylContact O-C 3.59Å; L59-V128 WeakPolarHBondContact O-CA 3.34Å; L59-V128 WeakPolarHBondContact O-CG1 3.47Å; W60-V128 HydrophobicContact CD2-CG2 3.79Å; W60-V128 HydrophobicContact CE3-CG1 4.34Å; W60-V128 HydrophobicContact CE3-CG2 3.75Å; W60-V128 HydrophobicContact CG-CG2 4.33Å; W60-V128 HydrophobicContact CH2-CG2 4.23Å; W60-V128 HydrophobicContact CZ2-CG2 4.28Å; W60-V128 HydrophobicContact CZ3-CG2 3.97Å; Y97-V128 HydrophobicContact CD1-CG1 4.36Å; Y97-V128 HydrophobicContact CE1-CG1 3.92Å; V128-L130 HydrophobicContact CG1-CD2 3.91Å; V128-I154 HydrophobicContact CB-CD1 4.41Å; V128-I154 HydrophobicContact CG1-CD1 3.81Å; V128-I154 HydrophobicContact CG2-CD1 4.45Å
129E98.4Very high97.1Very high28 Ų2845.2 Ų45.213%0.13122%0.215CC..EExtended strand (participates in β ladder)trans-92.7111.7170.5-63-66.717100108.7H54 T55 Q58 L59 L61 Y97H54-E129 WeakPolarHBondContact CB-OE2 3.43Å; T55-E129 VanDerWaalsContact C-OE2 3.31Å; T55-E129 WeakPolarHBondContact CA-OE2 3.31Å; T55-E129 PolarHBondContact N-OE2 3.47Å; Q58-E129 CarbonylContact C-O 3.19Å; Q58-E129 WeakPolarHBondContact CA-O 3.47Å; Q58-E129 PolarHBondContact N-O 3.37Å; L59-E129 HydrophobicContact CB-CB 3.95Å; L59-E129 HydrophobicContact CB-CG 4.19Å; L59-E129 HydrophobicContact CD1-CG 4.38Å; L59-E129 HydrophobicContact CG-CB 4.4Å; L59-E129 PolarHBondContact N-O 2.96Å; L59-E129 PolarHBondContact O-N 3.35Å; L61-E129 HydrophobicContact CD1-CG 4.15Å; Y97-E129 VanDerWaalsContact CE1-O 3.23Å; Y97-E129 WeakPolarHBondContact CE1-O 3.46Å
130L98.7Very high97.1Very high28 Ų2847.1 Ų47.115%0.14722%0.224CC..EExtended strand (participates in β ladder)trans-75.4-171.6-175-62.7176.3000113H54 F56 S57 Q58 Y97 V128 T150 I154H54-L130 WeakPolarHBondContact O-CB 3.48Å; H54-L130 VanDerWaalsContact O-CG 3.29Å; H54-L130 WeakPolarHBondContact O-CG 3.5Å; H54-L130 PolarHBondContact O-N 3.05Å; F56-L130 CarbonylContact C-O 3.59Å; F56-L130 WeakPolarHBondContact CA-O 3.31Å; S57-L130 PolarHBondContact N-O 2.98Å; Q58-L130 PolarHBondContact N-O 3.16Å; Q58-L130 VanDerWaalsContact N-O 3.12Å; Y97-L130 HydrophobicContact CE1-CD2 4.4Å; Y97-L130 VanDerWaalsContact OH-CA 3.25Å; Y97-L130 WeakPolarHBondContact OH-CA 3.32Å; V128-L130 HydrophobicContact CG1-CD2 3.91Å; L130-T150 HydrophobicContact CB-CG2 4.07Å; L130-T150 HydrophobicContact CD1-CG2 4.14Å; L130-T150 HydrophobicContact CD2-CG2 4.36Å; L130-T150 HydrophobicContact CG-CG2 4.43Å; L130-I154 HydrophobicContact CD2-CB 3.92Å; L130-I154 HydrophobicContact CD2-CD1 3.82Å; L130-I154 HydrophobicContact CD2-CG1 3.82Å
131R98.4Very high97.1Very high25 Ų2552.3 Ų52.39%0.09426%0.255CS..SBendtrans-58.2156171.6-66.7-168.3-178.6-165.3-5.3111.9T55 Q58 Y97 L142 T150 E153T55-R131 PolarHBondContact OG1-O 3.07Å; Q58-R131 HydrophobicContact CG-CG 4.45Å; Y97-R131 PolarHBondContact OH-N 3.12Å; R131-L142 HydrophobicContact CB-CD1 4.39Å; R131-L142 HydrophobicContact CB-CD2 4.1Å; R131-T150 HydrophobicContact CB-CG2 4.38Å; R131-T150 WeakPolarHBondContact CD-OG1 3.49Å; R131-T150 HydrophobicContact CG-CG2 4.4Å; R131-E153 IonicContact CZ-OE1 3.11Å; R131-E153 IonicContact CZ-OE2 2.82Å; R131-E153 VanDerWaalsContact CZ-OE2 3.3Å; R131-E153 IonicContact NE-OE1 3.35Å; R131-E153 IonicContact NE-OE2 2.79Å; R131-E153 PolarHBondContact NE-OE2 3.08Å; R131-E153 IonicContact NH2-OE1 2.82Å; R131-E153 PolarHBondContact NH2-OE1 2.95Å; R131-E153 IonicContact NH2-OE2 3.6Å; R131-E153 PolarHBondContact NH2-OE2 2.9Å
132P97.8Very high97.1Very high6 Ų648.5 Ų48.54%0.03924%0.24CC..  cis-78.9-176.3-9.833.8-32.8000112F56 S57 H134 K137 G139 L142F56-P132 HydrophobicContact CB-CG 4.34Å; F56-P132 WeakPolarHBondContact CB-O 3.32Å; S57-P132 WeakPolarHBondContact CA-O 3.36Å; S57-P132 PolarHBondContact N-O 2.81Å; P132-H134 WeakPolarHBondContact CG-O 3.45Å; P132-K137 HydrophobicContact CB-CB 3.66Å; P132-K137 HydrophobicContact CG-CB 4.22Å; P132-G139 WeakPolarHBondContact CD-O 3.47Å; P132-G139 VanDerWaalsContact CG-N 3.35Å; P132-L142 HydrophobicContact CB-CD1 4.04Å; P132-L142 HydrophobicContact CG-CD1 4.06Å
133D96.8Very high97Very high55 Ų5551.5 Ų51.529%0.29426%0.26SS..SBendtrans-80.7-18.6174.356.2-32.6000113.7Q58 K137Q58-D133 HydrophobicContact CB-CB 4.46Å; Q58-D133 HydrophobicContact CG-CB 4.1Å; D133-K137 VanDerWaalsContact OD1-CD 3.3Å; D133-K137 WeakPolarHBondContact OD1-CD 3.46Å; D133-K137 IonicContact OD1-NZ 3.81Å; D133-K137 PolarHBondContact OD1-NZ 3.19Å; D133-K137 IonicContact OD2-NZ 2.72Å; D133-K137 PolarHBondContact OD2-NZ 3.2Å
134H95.2Very high97.1Very high61 Ų6157.9 Ų57.928%0.28229%0.287SS..SBendtrans-159.9164.6-178.952.5-95.9000113.4P132 Q136 K137P132-H134 WeakPolarHBondContact CG-O 3.45Å; H134-Q136 VanDerWaalsContact C-N 3.33Å; H134-Q136 PolarHBondContact CD2-OE1 2.81Å; H134-Q136 PolarHBondContact O-N 3.23Å; H134-K137 WeakPolarHBondContact CE1-CE 3.35Å; H134-K137 WeakPolarHBondContact NE2-CG 3.32Å; H134-K137 PolarHBondContact O-N 2.79Å; H134-K137 VanDerWaalsContact O-N 3.17Å
135Y96.1Very high97Very high154 Ų15463.6 Ų63.660%0.60432%0.318SS*.G310 helixtrans-56.5-37.6-177.4-80.3-69.8000114.5F56 K137 G138 G139 F140F56-Y135 AromaticContact CE1-CD1 3.86Å; F56-Y135 HydrophobicContact CE1-CD1 3.86Å; F56-Y135 HydrophobicContact CE1-CD2 4.46Å; F56-Y135 AromaticContact CE1-CE1 3.44Å; F56-Y135 HydrophobicContact CE1-CE1 3.44Å; F56-Y135 VanDerWaalsContact CE1-CE1 3.44Å; F56-Y135 HydrophobicContact CE1-CE2 4.12Å; F56-Y135 HydrophobicContact CE1-CG 4.34Å; F56-Y135 AromaticContact CE1-CZ 3.57Å; F56-Y135 HydrophobicContact CE2-CD2 4.27Å; F56-Y135 HydrophobicContact CE2-CE2 4.43Å; F56-Y135 HydrophobicContact CE2-CG 4.4Å; F56-Y135 AromaticContact CZ-CD1 3.71Å; F56-Y135 HydrophobicContact CZ-CD1 3.71Å; F56-Y135 AromaticContact CZ-CD2 3.57Å; F56-Y135 HydrophobicContact CZ-CD2 3.57Å; F56-Y135 AromaticContact CZ-CE1 3.55Å; F56-Y135 HydrophobicContact CZ-CE1 3.55Å; F56-Y135 AromaticContact CZ-CE2 3.43Å; F56-Y135 HydrophobicContact CZ-CE2 3.43Å; F56-Y135 VanDerWaalsContact CZ-CE2 3.43Å; F56-Y135 AromaticContact CZ-CG 3.71Å; F56-Y135 HydrophobicContact CZ-CG 3.71Å; F56-Y135 AromaticContact CZ-CZ 3.39Å; Y135-K137 PolarHBondContact O-N 2.89Å; Y135-K137 VanDerWaalsContact O-N 3.08Å; Y135-G138 PolarHBondContact O-N 2.94Å; Y135-G139 PolarHBondContact O-N 3.01Å; Y135-F140 HydrophobicContact CE1-CD2 4.12Å; Y135-F140 AromaticContact CE1-CE2 3.89Å; Y135-F140 HydrophobicContact CE1-CE2 3.89Å
136Q94.7Very high97Very high166 Ų16666.3 Ų66.378%0.77633%0.33SS*.G310 helixtrans-64.9-14-178.1-57.983.2-14.100113.6H134H134-Q136 VanDerWaalsContact C-N 3.33Å; H134-Q136 PolarHBondContact CD2-OE1 2.81Å; H134-Q136 PolarHBondContact O-N 3.23Å
137K94Very high97Very high115 Ų11571.3 Ų71.350%0.536%0.356SS..G310 helixtrans-102.616.5173.1-75.2-178.7-165.8161.80113.6P132 D133 H134 Y135P132-K137 HydrophobicContact CB-CB 3.66Å; P132-K137 HydrophobicContact CG-CB 4.22Å; D133-K137 VanDerWaalsContact OD1-CD 3.3Å; D133-K137 WeakPolarHBondContact OD1-CD 3.46Å; D133-K137 IonicContact OD1-NZ 3.81Å; D133-K137 PolarHBondContact OD1-NZ 3.19Å; D133-K137 IonicContact OD2-NZ 2.72Å; D133-K137 PolarHBondContact OD2-NZ 3.2Å; H134-K137 WeakPolarHBondContact CE1-CE 3.35Å; H134-K137 WeakPolarHBondContact NE2-CG 3.32Å; H134-K137 PolarHBondContact O-N 2.79Å; H134-K137 VanDerWaalsContact O-N 3.17Å; Y135-K137 PolarHBondContact O-N 2.89Å; Y135-K137 VanDerWaalsContact O-N 3.08Å
138G94Very high97Very high29 Ų2976.2 Ų76.230%0.29938%0.381SS..THydrogen-bonded Turntrans118.8-22.7174.500000114.1Y135 F140 V141Y135-G138 PolarHBondContact O-N 2.94Å; G138-F140 PolarHBondContact O-N 2.69Å; G138-F140 VanDerWaalsContact O-N 3.08Å; G138-V141 CarbonylContact O-C 3.49Å; G138-V141 WeakPolarHBondContact O-CA 3.28Å; G138-V141 PolarHBondContact O-N 3.46Å
139G96.3Very high97Very high0 Ų077.5 Ų77.50%039%0.389CS..THydrogen-bonded Turntrans49.4-117.8-173.800000111.1P132 Y135 V141P132-G139 WeakPolarHBondContact CD-O 3.47Å; P132-G139 VanDerWaalsContact CG-N 3.35Å; Y135-G139 PolarHBondContact O-N 3.01Å; G139-V141 VanDerWaalsContact C-N 3.34Å
140F97.5Very high97Very high134 Ų13476.8 Ų76.859%0.58839%0.386SS*.THydrogen-bonded Turntrans-75-16.5176.4-55.6-70.9000114.9T55 F56 Y135 G138T55-F140 HydrophobicContact CG2-CD1 4.36Å; T55-F140 WeakPolarHBondContact O-CE1 3.32Å; F56-F140 HydrophobicContact CD1-CD1 4.05Å; F56-F140 HydrophobicContact CD1-CD2 4.44Å; F56-F140 AromaticContact CD1-CE1 3.94Å; F56-F140 HydrophobicContact CD1-CE1 3.94Å; F56-F140 HydrophobicContact CD1-CE2 4.33Å; F56-F140 HydrophobicContact CD1-CG 4.31Å; F56-F140 HydrophobicContact CD1-CZ 4.07Å; F56-F140 HydrophobicContact CE1-CD1 4.47Å; F56-F140 HydrophobicContact CE1-CD2 4.16Å; F56-F140 HydrophobicContact CE1-CE1 4.15Å; F56-F140 AromaticContact CE1-CE2 3.8Å; F56-F140 HydrophobicContact CE1-CE2 3.8Å; F56-F140 HydrophobicContact CE1-CG 4.48Å; F56-F140 AromaticContact CE1-CZ 3.79Å; F56-F140 HydrophobicContact CE1-CZ 3.79Å; Y135-F140 HydrophobicContact CE1-CD2 4.12Å; Y135-F140 AromaticContact CE1-CE2 3.89Å; Y135-F140 HydrophobicContact CE1-CE2 3.89Å; G138-F140 PolarHBondContact O-N 2.69Å; G138-F140 VanDerWaalsContact O-N 3.08Å
141V97.4Very high97Very high125 Ų12577.2 Ų77.276%0.75840%0.397SS*.SBendtrans-105.263.9179.4-167.50000108.7G138 G139G138-V141 CarbonylContact O-C 3.49Å; G138-V141 WeakPolarHBondContact O-CA 3.28Å; G138-V141 PolarHBondContact O-N 3.46Å; G139-V141 VanDerWaalsContact C-N 3.34Å
142L97Very high97Very high45 Ų4580.3 Ų80.324%0.23641%0.413CS..  trans-68.9134.9179.7-173.672.1000110.1R131 P132 Q146R131-L142 HydrophobicContact CB-CD1 4.39Å; R131-L142 HydrophobicContact CB-CD2 4.1Å; P132-L142 HydrophobicContact CB-CD1 4.04Å; P132-L142 HydrophobicContact CG-CD1 4.06Å; L142-Q146 HydrophobicContact CD1-CB 3.97Å; L142-Q146 HydrophobicContact CD1-CG 4.07Å; L142-Q146 HydrophobicContact CD2-CB 3.66Å; L142-Q146 HydrophobicContact CG-CB 3.68Å; L142-Q146 HydrophobicContact CG-CG 4.23Å
143P96.2Very high97.1Very high65 Ų6580 Ų8042%0.42241%0.411SS..  trans-57.1141.4178.3-26.135.2000112.8N145 Q146P143-N145 WeakPolarHBondContact CB-OD1 3.49Å; P143-N145 PolarHBondContact O-N 2.79Å; P143-N145 VanDerWaalsContact O-N 3.11Å; P143-Q146 HydrophobicContact CB-CG 4.37Å; P143-Q146 VanDerWaalsContact O-CB 3.32Å; P143-Q146 WeakPolarHBondContact O-CB 3.33Å; P143-Q146 PolarHBondContact O-N 2.92Å
144E97.5Very high97.1Very high167 Ų16778.3 Ų78.378%0.7840%0.402SS*.G310 helixtrans-55.9-34.1-176.2-67.1-178.6169.600113.2Q146 I147E144-Q146 PolarHBondContact O-N 2.97Å; E144-Q146 VanDerWaalsContact O-N 3.09Å; E144-I147 HydrophobicContact CB-CD1 4.28Å; E144-I147 HydrophobicContact CG-CD1 4.47Å; E144-I147 WeakPolarHBondContact O-CB 3.39Å; E144-I147 WeakPolarHBondContact O-CG1 3.41Å; E144-I147 PolarHBondContact O-N 3.05Å
145N97.5Very high97.3Very high121 Ų12182.8 Ų82.865%0.64742%0.417SS*.G310 helixtrans-67.5-7.4177.673.8-8.1000114.2P143 P149P143-N145 WeakPolarHBondContact CB-OD1 3.49Å; P143-N145 PolarHBondContact O-N 2.79Å; P143-N145 VanDerWaalsContact O-N 3.11Å; N145-P149 WeakPolarHBondContact O-CD 2.96Å
146Q97.8Very high97.4Very high56 Ų5676.5 Ų76.526%0.26240%0.397SS..G310 helixtrans-95.5-8.3173.7-62.1-65-5900112.9L142 P143 E144 T150L142-Q146 HydrophobicContact CD1-CB 3.97Å; L142-Q146 HydrophobicContact CD1-CG 4.07Å; L142-Q146 HydrophobicContact CD2-CB 3.66Å; L142-Q146 HydrophobicContact CG-CB 3.68Å; L142-Q146 HydrophobicContact CG-CG 4.23Å; P143-Q146 HydrophobicContact CB-CG 4.37Å; P143-Q146 VanDerWaalsContact O-CB 3.32Å; P143-Q146 WeakPolarHBondContact O-CB 3.33Å; P143-Q146 PolarHBondContact O-N 2.92Å; E144-Q146 PolarHBondContact O-N 2.97Å; E144-Q146 VanDerWaalsContact O-N 3.09Å; Q146-T150 VanDerWaalsContact O-CB 3.31Å; Q146-T150 WeakPolarHBondContact O-CB 3.21Å; Q146-T150 PolarHBondContact O-N 2.94Å; Q146-T150 PolarHBondContact O-OG1 3.1Å
147I98.2Very high97.6Very high106 Ų10668.6 Ų68.654%0.54436%0.36SS..Hα-helixtrans-61.4-54-178.2-66.3170.9000110.5E144 T150 G151E144-I147 HydrophobicContact CB-CD1 4.28Å; E144-I147 HydrophobicContact CG-CD1 4.47Å; E144-I147 WeakPolarHBondContact O-CB 3.39Å; E144-I147 WeakPolarHBondContact O-CG1 3.41Å; E144-I147 PolarHBondContact O-N 3.05Å; I147-T150 PolarHBondContact O-N 3.36Å; I147-G151 PolarHBondContact O-N 3.14Å
148I98.6Very high97.8Very high115 Ų11565.5 Ų65.559%0.5935%0.351SS*.Hα-helixtrans-63.6-49.3-179.1-60.3-60.8000111.6T150 G151 E152I148-T150 VanDerWaalsContact C-N 3.27Å; I148-T150 PolarHBondContact O-N 2.85Å; I148-G151 WeakPolarHBondContact O-CA 3.01Å; I148-G151 PolarHBondContact O-N 3.27Å; I148-E152 HydrophobicContact CG2-CG 4.23Å; I148-E152 WeakPolarHBondContact O-CG 3.23Å; I148-E152 PolarHBondContact O-N 3.19Å
149P98.5Very high98.1Very high26 Ų2670.5 Ų70.517%0.16936%0.36CS..Hα-helixtrans-55.7-38.2174.5-28.734.9000114.3H93 N145 E153H93-P149 PolarHBondContact CD2-O 3.48Å; N145-P149 WeakPolarHBondContact O-CD 2.96Å; P149-E153 WeakPolarHBondContact O-CB 3.38Å; P149-E153 WeakPolarHBondContact O-CG 3.18Å; P149-E153 PolarHBondContact O-N 2.87Å
150T98.6Very high98.2Very high13 Ų1371.2 Ų71.28%0.0837%0.366CS..Hα-helixtrans-66.1-42.4176-55.40000111.1L130 R131 Q146 I147 I148 I154L130-T150 HydrophobicContact CB-CG2 4.07Å; L130-T150 HydrophobicContact CD1-CG2 4.14Å; L130-T150 HydrophobicContact CD2-CG2 4.36Å; L130-T150 HydrophobicContact CG-CG2 4.43Å; R131-T150 HydrophobicContact CB-CG2 4.38Å; R131-T150 WeakPolarHBondContact CD-OG1 3.49Å; R131-T150 HydrophobicContact CG-CG2 4.4Å; Q146-T150 VanDerWaalsContact O-CB 3.31Å; Q146-T150 WeakPolarHBondContact O-CB 3.21Å; Q146-T150 PolarHBondContact O-N 2.94Å; Q146-T150 PolarHBondContact O-OG1 3.1Å; I147-T150 PolarHBondContact O-N 3.36Å; I148-T150 VanDerWaalsContact C-N 3.27Å; I148-T150 PolarHBondContact O-N 2.85Å; T150-I154 WeakPolarHBondContact O-CG2 3.23Å; T150-I154 PolarHBondContact O-N 3.12Å
151G98.7Very high98.2Very high37 Ų3765.2 Ų65.238%0.38134%0.34SS..Hα-helixtrans-63-44.617800000113.2I147 I148 I154 Y155I147-G151 PolarHBondContact O-N 3.14Å; I148-G151 WeakPolarHBondContact O-CA 3.01Å; I148-G151 PolarHBondContact O-N 3.27Å; G151-I154 WeakPolarHBondContact O-CG2 3.33Å; G151-Y155 VanDerWaalsContact O-CB 3.25Å; G151-Y155 WeakPolarHBondContact O-CB 3.42Å; G151-Y155 PolarHBondContact O-N 3.17Å
152E98.8Very high98.2Very high90 Ų9061.4 Ų61.442%0.42132%0.322SS..Hα-helixtrans-63.4-43.1178-68.4172.214900111.7V92 H93 I148 A156V92-E152 HydrophobicContact CG1-CB 4.03Å; H93-E152 IonicContact CD2-OE2 3.94Å; H93-E152 IonicContact CE1-OE2 2.68Å; H93-E152 PolarHBondContact CE1-OE2 3.35Å; H93-E152 IonicContact NE2-OE2 3.69Å; H93-E152 PolarHBondContact NE2-OE2 2.72Å; I148-E152 HydrophobicContact CG2-CG 4.23Å; I148-E152 WeakPolarHBondContact O-CG 3.23Å; I148-E152 PolarHBondContact O-N 3.19Å; E152-A156 PolarHBondContact O-N 3.28Å; E152-A156 VanDerWaalsContact O-N 3.16Å
153E98.7Very high98.2Very high0 Ų064.2 Ų64.20%033%0.334CS..Hα-helixtrans-61.2-55175.6-87.1-173.5167.200112.5L89 V92 H93 S95 R131 P149 Y155 A156 G157L89-E153 HydrophobicContact CD1-CB 4.38Å; L89-E153 HydrophobicContact CD2-CB 4Å; L89-E153 HydrophobicContact CD2-CG 4.17Å; L89-E153 HydrophobicContact CG-CB 3.79Å; L89-E153 HydrophobicContact CG-CG 4.34Å; L89-E153 VanDerWaalsContact CG-O 3.29Å; L89-E153 WeakPolarHBondContact CG-O 3.48Å; V92-E153 HydrophobicContact CB-CG 4.01Å; V92-E153 HydrophobicContact CG1-CG 4.41Å; H93-E153 HydrophobicContact CB-CG 4.32Å; H93-E153 VanDerWaalsContact CB-OE1 3.25Å; H93-E153 WeakPolarHBondContact CB-OE1 3.41Å; S95-E153 WeakPolarHBondContact CB-OE1 3.16Å; S95-E153 VanDerWaalsContact CB-OE2 3.27Å; S95-E153 WeakPolarHBondContact CB-OE2 3.33Å; S95-E153 PolarHBondContact N-OE1 2.82Å; S95-E153 PolarHBondContact OG-OE1 3.26Å; S95-E153 PolarHBondContact OG-OE2 3.02Å; R131-E153 IonicContact CZ-OE1 3.11Å; R131-E153 IonicContact CZ-OE2 2.82Å; R131-E153 VanDerWaalsContact CZ-OE2 3.3Å; R131-E153 IonicContact NE-OE1 3.35Å; R131-E153 IonicContact NE-OE2 2.79Å; R131-E153 PolarHBondContact NE-OE2 3.08Å; R131-E153 IonicContact NH2-OE1 2.82Å; R131-E153 PolarHBondContact NH2-OE1 2.95Å; R131-E153 IonicContact NH2-OE2 3.6Å; R131-E153 PolarHBondContact NH2-OE2 2.9Å; P149-E153 WeakPolarHBondContact O-CB 3.38Å; P149-E153 WeakPolarHBondContact O-CG 3.18Å; P149-E153 PolarHBondContact O-N 2.87Å; E153-Y155 VanDerWaalsContact C-N 3.27Å; E153-Y155 PolarHBondContact O-N 3.41Å; E153-A156 PolarHBondContact O-N 3.09Å; E153-G157 PolarHBondContact O-N 3.41Å
154I98.6Very high98.3Very high19 Ų1961.4 Ų61.410%0.09732%0.315CS..Hα-helixtrans-65.5-33.9-177.2-16958000111.7L53 W60 L89 V128 L130 T150 G151 G157 V158L53-I154 HydrophobicContact CD1-CG1 4.49Å; L53-I154 HydrophobicContact CD2-CD1 4.02Å; L53-I154 HydrophobicContact CD2-CG1 3.95Å; W60-I154 HydrophobicContact CZ3-CD1 4.27Å; L89-I154 HydrophobicContact CD1-CD1 4.22Å; V128-I154 HydrophobicContact CB-CD1 4.41Å; V128-I154 HydrophobicContact CG1-CD1 3.81Å; V128-I154 HydrophobicContact CG2-CD1 4.45Å; L130-I154 HydrophobicContact CD2-CB 3.92Å; L130-I154 HydrophobicContact CD2-CD1 3.82Å; L130-I154 HydrophobicContact CD2-CG1 3.82Å; T150-I154 WeakPolarHBondContact O-CG2 3.23Å; T150-I154 PolarHBondContact O-N 3.12Å; G151-I154 WeakPolarHBondContact O-CG2 3.33Å; I154-G157 PolarHBondContact O-N 3.08Å; I154-V158 HydrophobicContact CD1-CG2 4.03Å; I154-V158 HydrophobicContact CG1-CG2 4.07Å; I154-V158 WeakPolarHBondContact O-CB 3.48Å; I154-V158 WeakPolarHBondContact O-CG2 3.2Å; I154-V158 PolarHBondContact O-N 3.18Å
155Y98.8Very high98.1Very high156 Ų15653.5 Ų53.561%0.61228%0.278SS*.Hα-helixtrans-59.7-47.1173.7177.1-96.9000111.6G151 E153 G157 V158 R159G151-Y155 VanDerWaalsContact O-CB 3.25Å; G151-Y155 WeakPolarHBondContact O-CB 3.42Å; G151-Y155 PolarHBondContact O-N 3.17Å; E153-Y155 VanDerWaalsContact C-N 3.27Å; E153-Y155 PolarHBondContact O-N 3.41Å; Y155-G157 VanDerWaalsContact C-N 3.33Å; Y155-G157 PolarHBondContact O-N 3.47Å; Y155-V158 PolarHBondContact O-N 3.29Å; Y155-R159 WeakPolarHBondContact O-CB 3.31Å; Y155-R159 PolarHBondContact O-N 2.85Å
156A98.8Very high98Very high21 Ų2152.4 Ų52.417%0.17428%0.276CS..Hα-helixtrans-61.3-41.8177.300000112.1V92 E152 E153 A160V92-A156 HydrophobicContact CG2-CB 3.46Å; V92-A156 VanDerWaalsContact CG2-CB 3.46Å; E152-A156 PolarHBondContact O-N 3.28Å; E152-A156 VanDerWaalsContact O-N 3.16Å; E153-A156 PolarHBondContact O-N 3.09Å; A156-A160 WeakPolarHBondContact O-CB 3.36Å; A156-A160 PolarHBondContact O-N 2.86Å
157G98.7Very high97.8Very high0 Ų057.7 Ų57.70%030%0.298CS..Hα-helixtrans-64.7-49.9177.100000113.4A85 E153 I154 Y155 R159 A160 M161A85-G157 VanDerWaalsContact CB-O 3.3Å; A85-G157 WeakPolarHBondContact CB-O 3.28Å; A85-G157 WeakPolarHBondContact O-CA 3.3Å; E153-G157 PolarHBondContact O-N 3.41Å; I154-G157 PolarHBondContact O-N 3.08Å; Y155-G157 VanDerWaalsContact C-N 3.33Å; Y155-G157 PolarHBondContact O-N 3.47Å; G157-R159 VanDerWaalsContact C-N 3.3Å; G157-R159 PolarHBondContact O-N 3.17Å; G157-A160 PolarHBondContact O-N 3.18Å; G157-M161 PolarHBondContact O-N 3.04Å
158V98.6Very high97.4Very high50 Ų5056.2 Ų56.230%0.30329%0.291SS..Hα-helixtrans-64.2-37178.9172.50000111.4W60 I154 Y155 M161 A162W60-V158 HydrophobicContact CH2-CG2 4.47Å; I154-V158 HydrophobicContact CD1-CG2 4.03Å; I154-V158 HydrophobicContact CG1-CG2 4.07Å; I154-V158 WeakPolarHBondContact O-CB 3.48Å; I154-V158 WeakPolarHBondContact O-CG2 3.2Å; I154-V158 PolarHBondContact O-N 3.18Å; Y155-V158 PolarHBondContact O-N 3.29Å; V158-M161 HydrophobicContact CG1-CE 4.34Å; V158-M161 WeakPolarHBondContact O-CB 3.32Å; V158-M161 PolarHBondContact O-N 3.39Å; V158-A162 WeakPolarHBondContact O-CB 3.45Å; V158-A162 PolarHBondContact O-N 2.75Å
159R98.5Very high96.6Very high134 Ų13453.4 Ų53.451%0.50628%0.276SS..Hα-helixtrans-62.8-47.5174.7179.1179.2166-176.3-4.1111.6Y155 G157 M161 A162 E163Y155-R159 WeakPolarHBondContact O-CB 3.31Å; Y155-R159 PolarHBondContact O-N 2.85Å; G157-R159 VanDerWaalsContact C-N 3.3Å; G157-R159 PolarHBondContact O-N 3.17Å; R159-M161 VanDerWaalsContact C-N 3.33Å; R159-M161 PolarHBondContact O-N 3.48Å; R159-A162 PolarHBondContact O-N 3.34Å; R159-A162 VanDerWaalsContact O-N 3.14Å; R159-E163 HydrophobicContact CG-CG 4.49Å; R159-E163 IonicContact CZ-OE1 3.41Å; R159-E163 IonicContact NE-OE1 3.71Å; R159-E163 PolarHBondContact NE-OE1 3.07Å; R159-E163 IonicContact NH2-OE1 3.1Å; R159-E163 PolarHBondContact NH2-OE1 3.43Å; R159-E163 VanDerWaalsContact NH2-OE1 3.1Å; R159-E163 WeakPolarHBondContact O-CG 3.29Å; R159-E163 PolarHBondContact O-N 3.03Å
160A98.5Very high94.9Very high15 Ų1562.3 Ų62.312%0.12431%0.312CS..Hα-helixtrans-62.6-40.617800000112A88 A156 G157 A162 E163 H164A88-A160 HydrophobicContact CB-CB 3.4Å; A88-A160 VanDerWaalsContact CB-CB 3.4Å; A156-A160 WeakPolarHBondContact O-CB 3.36Å; A156-A160 PolarHBondContact O-N 2.86Å; G157-A160 PolarHBondContact O-N 3.18Å; A160-A162 PolarHBondContact O-N 3.08Å; A160-E163 PolarHBondContact O-N 3.25Å; A160-H164 PolarHBondContact O-N 2.83Å
161M98.3Very high92.8Very high9 Ų970.7 Ų70.74%0.04436%0.355CS..Hα-helixtrans-56.6-49.7170.4-179.1-156.772.100110.9A49 V51 W60 T81 A85 Y126 G157 V158 R159 E163 H164 V165A49-M161 HydrophobicContact CB-CE 3.95Å; V51-M161 HydrophobicContact CG2-CE 3.7Å; V51-M161 HydrophobicContact CG2-SD 3.55Å; V51-M161 VanDerWaalsContact CG2-SD 3.55Å; W60-M161 HydrophobicContact CH2-CB 4.42Å; W60-M161 HydrophobicContact CZ2-CB 4.31Å; W60-M161 HydrophobicContact CZ2-CG 4.36Å; W60-M161 HydrophobicContact CZ2-SD 3.99Å; T81-M161 HydrophobicContact CG2-CB 4.17Å; T81-M161 HydrophobicContact CG2-CG 3.58Å; A85-M161 HydrophobicContact CB-CB 4.17Å; Y126-M161 HydrophobicContact CD2-SD 3.9Å; Y126-M161 HydrophobicContact CE2-CG 4.33Å; Y126-M161 HydrophobicContact CE2-SD 3.94Å; G157-M161 PolarHBondContact O-N 3.04Å; V158-M161 HydrophobicContact CG1-CE 4.34Å; V158-M161 WeakPolarHBondContact O-CB 3.32Å; V158-M161 PolarHBondContact O-N 3.39Å; R159-M161 VanDerWaalsContact C-N 3.33Å; R159-M161 PolarHBondContact O-N 3.48Å; M161-E163 VanDerWaalsContact C-N 3.34Å; M161-E163 PolarHBondContact O-N 3Å; M161-H164 WeakPolarHBondContact O-CB 3.31Å; M161-H164 PolarHBondContact O-N 3.04Å; M161-V165 HydrophobicContact CG-CG2 4.45Å; M161-V165 VanDerWaalsContact O-CG2 3.27Å; M161-V165 WeakPolarHBondContact O-CG2 3.31Å; M161-V165 PolarHBondContact O-N 2.88Å
162A97.6Very high92.5Very high45 Ų4572.4 Ų72.437%0.37235%0.354SS..Hα-helixtrans-61.7-40.7-179.600000112.5V158 R159 A160 V165 V166V158-A162 WeakPolarHBondContact O-CB 3.45Å; V158-A162 PolarHBondContact O-N 2.75Å; R159-A162 PolarHBondContact O-N 3.34Å; R159-A162 VanDerWaalsContact O-N 3.14Å; A160-A162 PolarHBondContact O-N 3.08Å; A162-V165 PolarHBondContact O-N 3.39Å; A162-V166 VanDerWaalsContact O-CG2 3.3Å; A162-V166 WeakPolarHBondContact O-CG2 3.41Å; A162-V166 PolarHBondContact O-N 3.1Å
163E97.4Very high92.2Very high103 Ų10371.4 Ų71.448%0.48135%0.351SS..Hα-helixtrans-62.5-41.3175.2-72.2172.7177.700111.5R159 A160 M161 K167R159-E163 HydrophobicContact CG-CG 4.49Å; R159-E163 IonicContact CZ-OE1 3.41Å; R159-E163 IonicContact NE-OE1 3.71Å; R159-E163 PolarHBondContact NE-OE1 3.07Å; R159-E163 IonicContact NH2-OE1 3.1Å; R159-E163 PolarHBondContact NH2-OE1 3.43Å; R159-E163 VanDerWaalsContact NH2-OE1 3.1Å; R159-E163 WeakPolarHBondContact O-CG 3.29Å; R159-E163 PolarHBondContact O-N 3.03Å; A160-E163 PolarHBondContact O-N 3.25Å; M161-E163 VanDerWaalsContact C-N 3.34Å; M161-E163 PolarHBondContact O-N 3Å; E163-K167 WeakPolarHBondContact O-CB 3.4Å; E163-K167 PolarHBondContact O-N 3.09Å; E163-K167 VanDerWaalsContact O-N 3.08Å
164H96.5Very high91.8Very high6 Ų675.4 Ų75.43%0.02837%0.37CS..Hα-helixtrans-61.3-48.8173.7-174.9101.7000112T81 E84 A160 M161 V166 K167 N168T81-H164 HydrophobicContact CG2-CB 4.1Å; T81-H164 PolarHBondContact OG1-CD2 3.24Å; T81-H164 PolarHBondContact OG1-NE2 2.98Å; E84-H164 IonicContact OE1-ND1 3.33Å; E84-H164 WeakPolarHBondContact OE2-CB 3.31Å; E84-H164 IonicContact OE2-CE1 2.83Å; E84-H164 IonicContact OE2-CG 3.02Å; E84-H164 IonicContact OE2-ND1 3.3Å; E84-H164 PolarHBondContact OE2-ND1 2.78Å; A160-H164 PolarHBondContact O-N 2.83Å; M161-H164 WeakPolarHBondContact O-CB 3.31Å; M161-H164 PolarHBondContact O-N 3.04Å; H164-V166 PolarHBondContact O-N 3.26Å; H164-K167 PolarHBondContact O-N 3.13Å; H164-N168 PolarHBondContact CD2-ND2 2.93Å; H164-N168 VanDerWaalsContact CD2-ND2 3.26Å; H164-N168 PolarHBondContact CE1-ND2 3.32Å; H164-N168 PolarHBondContact NE2-ND2 3.33Å; H164-N168 PolarHBondContact O-N 3Å; H164-N168 PolarHBondContact O-ND2 3.48Å
165V95.2Very high91.4Very high2 Ų278.7 Ų78.71%0.01239%0.386CS..Hα-helixtrans-58.9-47.6179.5172.20000110.9V48 Y124 M161 A162 K167 N168 M169V48-V165 HydrophobicContact CB-CG1 3.92Å; V48-V165 HydrophobicContact CG2-CG1 3.68Å; Y124-V165 HydrophobicContact CD1-CG2 3.91Å; Y124-V165 HydrophobicContact CD2-CB 4.28Å; Y124-V165 HydrophobicContact CD2-CG1 3.86Å; Y124-V165 HydrophobicContact CD2-CG2 3.5Å; Y124-V165 HydrophobicContact CE1-CG2 3.98Å; Y124-V165 HydrophobicContact CE2-CB 4.07Å; Y124-V165 HydrophobicContact CE2-CG1 3.7Å; Y124-V165 HydrophobicContact CE2-CG2 3.62Å; Y124-V165 HydrophobicContact CG-CG2 3.68Å; M161-V165 HydrophobicContact CG-CG2 4.45Å; M161-V165 VanDerWaalsContact O-CG2 3.27Å; M161-V165 WeakPolarHBondContact O-CG2 3.31Å; M161-V165 PolarHBondContact O-N 2.88Å; A162-V165 PolarHBondContact O-N 3.39Å; V165-K167 VanDerWaalsContact C-N 3.27Å; V165-K167 PolarHBondContact O-N 3Å; V165-N168 PolarHBondContact O-N 3.36Å; V165-M169 HydrophobicContact CG1-CG 4.11Å; V165-M169 HydrophobicContact CG1-SD 3.77Å; V165-M169 VanDerWaalsContact O-CB 3.32Å; V165-M169 WeakPolarHBondContact O-CB 3.31Å; V165-M169 WeakPolarHBondContact O-CG 3.41Å; V165-M169 PolarHBondContact O-N 3.15Å
166V94.5Very high90.9Very high98 Ų9873.9 Ų73.959%0.59437%0.372SS*.Hα-helixtrans-61.8-36.2178.6169.50000111.7A162 H164A162-V166 VanDerWaalsContact O-CG2 3.3Å; A162-V166 WeakPolarHBondContact O-CG2 3.41Å; A162-V166 PolarHBondContact O-N 3.1Å; H164-V166 PolarHBondContact O-N 3.26Å
167K93.8Very high90.4Very high167 Ų16777.4 Ų77.473%0.72639%0.385SS*.Hα-helixtrans-71-37.7179.4-177.3-175.8173.4-168.80112.9E163 H164 V165E163-K167 WeakPolarHBondContact O-CB 3.4Å; E163-K167 PolarHBondContact O-N 3.09Å; E163-K167 VanDerWaalsContact O-N 3.08Å; H164-K167 PolarHBondContact O-N 3.13Å; V165-K167 VanDerWaalsContact C-N 3.27Å; V165-K167 PolarHBondContact O-N 3Å
168N90Very high89.8Confident75 Ų7582.9 Ų82.940%0.40141%0.413SS..Hα-helixtrans-98.7-17.8-171.4-71.6-44.2000113.9H164 V165 K170H164-N168 PolarHBondContact CD2-ND2 2.93Å; H164-N168 VanDerWaalsContact CD2-ND2 3.26Å; H164-N168 PolarHBondContact CE1-ND2 3.32Å; H164-N168 PolarHBondContact NE2-ND2 3.33Å; H164-N168 PolarHBondContact O-N 3Å; H164-N168 PolarHBondContact O-ND2 3.48Å; V165-N168 PolarHBondContact O-N 3.36Å; N168-K170 PolarHBondContact O-N 3.09Å
169M81.8Confident89.1Confident56 Ų5685.5 Ų85.528%0.27642%0.421SS..SBendtrans-75.5119.9167.3-73.5-164.762.400110.6V48 P123 Y124 V165 L171V48-M169 HydrophobicContact CB-CE 4.29Å; V48-M169 HydrophobicContact CB-SD 3.45Å; V48-M169 WeakPolarHBondContact CB-SD 3.14Å; V48-M169 HydrophobicContact CG1-CE 3.58Å; V48-M169 HydrophobicContact CG1-SD 3.34Å; V48-M169 WeakPolarHBondContact CG1-SD 3.44Å; V48-M169 HydrophobicContact CG2-SD 4.45Å; P123-M169 HydrophobicContact CG-SD 4.32Å; Y124-M169 HydrophobicContact CE2-CG 4.26Å; Y124-M169 HydrophobicContact CE2-SD 4.41Å; V165-M169 HydrophobicContact CG1-CG 4.11Å; V165-M169 HydrophobicContact CG1-SD 3.77Å; V165-M169 VanDerWaalsContact O-CB 3.32Å; V165-M169 WeakPolarHBondContact O-CB 3.31Å; V165-M169 WeakPolarHBondContact O-CG 3.41Å; V165-M169 PolarHBondContact O-N 3.15Å; M169-L171 HydrophobicContact CB-CG 4.33Å; M169-L171 HydrophobicContact CE-CD2 4.4Å; M169-L171 PolarHBondContact O-N 3.13Å
170K62.3Low88.4Confident213 Ų21381.4 Ų81.493%0.92641%0.414SS*.  trans-70.882.9162.8-63.9-175.3-177.8-178.90108N168N168-K170 PolarHBondContact O-N 3.09Å
171L54.5Low87.4Confident188 Ų18887.5 Ų87.598%0.98444%0.44SS*.  trans-66.80168.1-68.1170.3000110.7M169M169-L171 HydrophobicContact CB-CG 4.33Å; M169-L171 HydrophobicContact CE-CD2 4.4Å; M169-L171 PolarHBondContact O-N 3.13Å

Retrieved 171 of 171 residues in 451.9 ms (Link to these results)

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