A0A077Z030_TRITR Loading...

Ubiquitin-like protein DskB

AlphaFold DB , UniProt , Accession A0A077Z030, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 574 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
1M92Very high94.8Very high196 Ų19657.2 Ų57.297%0.96630%0.3SS*.  0149.10-69.9179175.600107.4V3 G21M1-V3 PolarHBondContact O-N 3.34Å; M1-G21 PolarHBondContact O-N 2.68Å
2S97.5Very high93.4Very high51 Ų5157.6 Ų57.636%0.35730%0.303SS..EExtended strand (participates in β ladder)trans-78.6122.9176.9740000110.8R18 M19S2-R18 PolarHBondContact OG-NE 3.39Å; S2-R18 VanDerWaalsContact OG-NE 3.15Å; S2-R18 PolarHBondContact OG-NH2 2.79Å; S2-M19 CarbonylContact C-O 3.52Å; S2-M19 VanDerWaalsContact CA-O 3.3Å; S2-M19 WeakPolarHBondContact CA-O 3.48Å
3V98.2Very high93.1Very high14 Ų1455.8 Ų55.89%0.08531%0.307CS..EExtended strand (participates in β ladder)trans-101.7133.9174.3-176.20000108.9M1 F5 R18 M19 I70 I75 V76M1-V3 PolarHBondContact O-N 3.34Å; V3-F5 HydrophobicContact CG1-CD1 4.36Å; V3-R18 WeakPolarHBondContact O-CA 3.49Å; V3-M19 PolarHBondContact N-O 3.09Å; V3-M19 PolarHBondContact O-N 3.34Å; V3-I70 HydrophobicContact CB-CG2 4.27Å; V3-I70 HydrophobicContact CG1-CG2 4.47Å; V3-I70 HydrophobicContact CG2-CG2 4.22Å; V3-I75 HydrophobicContact CG1-CG2 4.44Å; V3-V76 VanDerWaalsContact CG1-C 3.48Å
4S98.3Very high93.2Very high37 Ų3760.3 Ų60.326%0.25933%0.325SS..EExtended strand (participates in β ladder)trans-109.7114.4174.2-171.40000109.9T16 L17 D77 G78S4-T16 VanDerWaalsContact OG-CG2 3.3Å; S4-T16 WeakPolarHBondContact OG-CG2 3.37Å; S4-L17 CarbonylContact C-O 3.55Å; S4-L17 WeakPolarHBondContact CA-O 3.41Å; S4-D77 WeakPolarHBondContact CA-OD1 3.35Å; S4-D77 VanDerWaalsContact CB-OD1 3.23Å; S4-D77 WeakPolarHBondContact CB-OD1 3.27Å; S4-D77 PolarHBondContact N-OD1 3.45Å; S4-G78 PolarHBondContact O-N 2.83Å
5F98.4Very high93.4Very high1 Ų159.1 Ų59.10%0.00432%0.316CS..EExtended strand (participates in β ladder)trans-129.8156.5-17962.6-89.9000111.1V3 V7 T16 L17 M19 I28 I70 I75 A79 V81V3-F5 HydrophobicContact CG1-CD1 4.36Å; F5-V7 HydrophobicContact CD2-CG2 4.22Å; F5-V7 HydrophobicContact CE2-CG2 3.84Å; F5-T16 CarbonylContact O-C 3.59Å; F5-T16 WeakPolarHBondContact O-CA 3.34Å; F5-T16 WeakPolarHBondContact O-CG2 3.49Å; F5-L17 HydrophobicContact CE1-CB 4.36Å; F5-L17 HydrophobicContact CE2-CB 4.07Å; F5-L17 HydrophobicContact CE2-CD1 4.05Å; F5-L17 HydrophobicContact CZ-CB 3.96Å; F5-L17 HydrophobicContact CZ-CD1 4.13Å; F5-L17 PolarHBondContact N-O 3.27Å; F5-L17 PolarHBondContact O-N 2.74Å; F5-M19 HydrophobicContact CE1-CB 4.16Å; F5-M19 HydrophobicContact CE1-CG 4.27Å; F5-M19 HydrophobicContact CE1-SD 4.27Å; F5-M19 HydrophobicContact CZ-SD 4.01Å; F5-I28 HydrophobicContact CE2-CG2 4.1Å; F5-I28 HydrophobicContact CZ-CD1 4Å; F5-I28 HydrophobicContact CZ-CG1 4.3Å; F5-I28 HydrophobicContact CZ-CG2 3.85Å; F5-I70 HydrophobicContact CE1-CD1 3.96Å; F5-I70 HydrophobicContact CZ-CD1 4.5Å; F5-I75 HydrophobicContact CB-CG2 4Å; F5-I75 HydrophobicContact CD1-CG2 3.84Å; F5-I75 HydrophobicContact CE1-CG2 4.47Å; F5-I75 HydrophobicContact CG-CG2 3.89Å; F5-A79 CarbonylContact C-O 3.57Å; F5-A79 WeakPolarHBondContact CA-O 3.41Å; F5-A79 HydrophobicContact CB-CB 4.02Å; F5-A79 WeakPolarHBondContact CB-O 3.14Å; F5-V81 HydrophobicContact CD2-CB 4.44Å; F5-V81 HydrophobicContact CD2-CG2 3.79Å; F5-V81 HydrophobicContact CE2-CG2 4.15Å
6S97.6Very high93.6Very high15 Ų1560.8 Ų60.811%0.10533%0.329CS..EExtended strand (participates in β ladder)trans-94.2135.3176.7-660000111.1Q14 F15 A79 I80 V81S6-Q14 PolarHBondContact OG-NE2 2.74Å; S6-F15 CarbonylContact C-O 3.54Å; S6-F15 WeakPolarHBondContact CA-O 3.38Å; S6-A79 PolarHBondContact N-O 2.68Å; S6-I80 CarbonylContact O-C 3.6Å; S6-I80 WeakPolarHBondContact O-CA 3.28Å; S6-V81 PolarHBondContact O-N 3.46Å
7V97.6Very high93.8Very high0 Ų057.5 Ų57.50%031%0.311CS..EExtended strand (participates in β ladder)trans-99.7123.2165.5-178.10000108.1F5 Q14 F15 L17 I32 V81 L83F5-V7 HydrophobicContact CD2-CG2 4.22Å; F5-V7 HydrophobicContact CE2-CG2 3.84Å; V7-Q14 WeakPolarHBondContact O-CA 3.26Å; V7-F15 HydrophobicContact CB-CD1 4.47Å; V7-F15 HydrophobicContact CB-CD2 4.14Å; V7-F15 HydrophobicContact CB-CE1 4.03Å; V7-F15 HydrophobicContact CB-CE2 3.66Å; V7-F15 HydrophobicContact CB-CZ 3.6Å; V7-F15 HydrophobicContact CG1-CE1 3.93Å; V7-F15 HydrophobicContact CG1-CE2 4.11Å; V7-F15 HydrophobicContact CG1-CZ 3.55Å; V7-F15 HydrophobicContact CG2-CE2 3.99Å; V7-F15 HydrophobicContact CG2-CZ 4.28Å; V7-F15 PolarHBondContact N-O 3.35Å; V7-F15 PolarHBondContact O-N 3.12Å; V7-L17 HydrophobicContact CG2-CD1 3.6Å; V7-L17 HydrophobicContact CG2-CG 3.98Å; V7-I32 HydrophobicContact CG1-CD1 4.1Å; V7-I32 HydrophobicContact CG2-CD1 4.23Å; V7-V81 CarbonylContact C-O 3.59Å; V7-V81 VanDerWaalsContact CA-O 3.29Å; V7-V81 WeakPolarHBondContact CA-O 3.46Å; V7-L83 HydrophobicContact CG1-CB 3.73Å
8L96.8Very high94.1Very high59 Ų5963.7 Ų63.731%0.30933%0.329SS..EExtended strand (participates in β ladder)trans-100.3105.6175.1-172.867.4000109Q14 I80 V81 L83L8-Q14 HydrophobicContact CD1-CB 3.91Å; L8-Q14 HydrophobicContact CD1-CG 4.47Å; L8-I80 HydrophobicContact CB-CG2 4.09Å; L8-V81 PolarHBondContact N-O 2.83Å; L8-L83 PolarHBondContact O-N 3.11Å
9S94Very high94.3Very high4 Ų460.4 Ų60.43%0.02831%0.312CS..EExtended strand (participates in β ladder)trans-80.4140.9166.9173.10000109T11 D12 G13S9-T11 PolarHBondContact O-N 3.1Å; S9-T11 PolarHBondContact OG-N 2.59Å; S9-T11 VanDerWaalsContact OG-N 3.13Å; S9-T11 PolarHBondContact OG-OG1 2.78Å; S9-D12 PolarHBondContact OG-N 3.35Å; S9-D12 PolarHBondContact OG-OD2 3.46Å; S9-G13 PolarHBondContact N-O 3.05Å
10F88.2Confident94.5Very high203 Ų20361.4 Ų61.489%0.8932%0.318SS*.THydrogen-bonded Turntrans-62.5-20.2171.7-173.1-100.7000112.4
11T84.3Confident94.6Very high49 Ų4958.4 Ų58.430%0.30130%0.303SS..THydrogen-bonded Turntrans-119.6-29-166.454.60000114.8S9 W41S9-T11 PolarHBondContact O-N 3.1Å; S9-T11 PolarHBondContact OG-N 2.59Å; S9-T11 VanDerWaalsContact OG-N 3.13Å; S9-T11 PolarHBondContact OG-OG1 2.78Å; T11-W41 HydrophobicContact CG2-CZ2 3.71Å; T11-W41 VanDerWaalsContact CG2-NE1 3.27Å
12D77.4Confident94.9Very high62 Ų6253.5 Ų53.533%0.33229%0.287SS..THydrogen-bonded Turntrans-1135.8-171.9-38.6-64.6000112S9 P39S9-D12 PolarHBondContact OG-N 3.35Å; S9-D12 PolarHBondContact OG-OD2 3.46Å; D12-P39 WeakPolarHBondContact OD1-CA 3.31Å; D12-P39 WeakPolarHBondContact OD1-CB 3.43Å; D12-P39 VanDerWaalsContact OD1-CG 3.32Å; D12-P39 WeakPolarHBondContact OD1-CG 3.49Å
13G90.4Very high95Very high35 Ų3552.5 Ų52.536%0.36128%0.277SS..EExtended strand (participates in β ladder)trans77.7-144.5-176.900000112.6S9S9-G13 PolarHBondContact N-O 3.05Å
14Q94.4Very high95Very high118 Ų11854 Ų5455%0.55128%0.284SS*.EExtended strand (participates in β ladder)trans-112.6130.6-173.4-173.9179-13.700110.4S6 V7 L8S6-Q14 PolarHBondContact OG-NE2 2.74Å; V7-Q14 WeakPolarHBondContact O-CA 3.26Å; L8-Q14 HydrophobicContact CD1-CB 3.91Å; L8-Q14 HydrophobicContact CD1-CG 4.47Å
15F95.3Very high95Very high43 Ų4352.2 Ų52.219%0.18927%0.272CS..EExtended strand (participates in β ladder)trans-130.9146.9172.160.1-89.6000111S6 V7 L17 I32 M35S6-F15 CarbonylContact C-O 3.54Å; S6-F15 WeakPolarHBondContact CA-O 3.38Å; V7-F15 HydrophobicContact CB-CD1 4.47Å; V7-F15 HydrophobicContact CB-CD2 4.14Å; V7-F15 HydrophobicContact CB-CE1 4.03Å; V7-F15 HydrophobicContact CB-CE2 3.66Å; V7-F15 HydrophobicContact CB-CZ 3.6Å; V7-F15 HydrophobicContact CG1-CE1 3.93Å; V7-F15 HydrophobicContact CG1-CE2 4.11Å; V7-F15 HydrophobicContact CG1-CZ 3.55Å; V7-F15 HydrophobicContact CG2-CE2 3.99Å; V7-F15 HydrophobicContact CG2-CZ 4.28Å; V7-F15 PolarHBondContact N-O 3.35Å; V7-F15 PolarHBondContact O-N 3.12Å; F15-L17 HydrophobicContact CD2-CD2 4.03Å; F15-L17 HydrophobicContact CD2-CG 4.18Å; F15-L17 HydrophobicContact CE2-CD1 4.25Å; F15-L17 HydrophobicContact CE2-CD2 3.98Å; F15-L17 HydrophobicContact CE2-CG 4.03Å; F15-I32 HydrophobicContact CE2-CG1 4.06Å; F15-I32 HydrophobicContact CZ-CG1 4Å; F15-I32 HydrophobicContact CZ-CG2 4.23Å; F15-M35 HydrophobicContact CD2-CE 4.08Å
16T96.8Very high95Very high86 Ų8656.5 Ų56.553%0.52829%0.288SS..EExtended strand (participates in β ladder)trans-97.1129.8-176.7-47.20000110.8S4 F5S4-T16 VanDerWaalsContact OG-CG2 3.3Å; S4-T16 WeakPolarHBondContact OG-CG2 3.37Å; F5-T16 CarbonylContact O-C 3.59Å; F5-T16 WeakPolarHBondContact O-CA 3.34Å; F5-T16 WeakPolarHBondContact O-CG2 3.49Å
17L97.7Very high95Very high5 Ų559.3 Ų59.33%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-106.7139.2170.9-63.9-176.2000109.8S4 F5 V7 F15 M19 I28 I32 M35S4-L17 CarbonylContact C-O 3.55Å; S4-L17 WeakPolarHBondContact CA-O 3.41Å; F5-L17 HydrophobicContact CE1-CB 4.36Å; F5-L17 HydrophobicContact CE2-CB 4.07Å; F5-L17 HydrophobicContact CE2-CD1 4.05Å; F5-L17 HydrophobicContact CZ-CB 3.96Å; F5-L17 HydrophobicContact CZ-CD1 4.13Å; F5-L17 PolarHBondContact N-O 3.27Å; F5-L17 PolarHBondContact O-N 2.74Å; V7-L17 HydrophobicContact CG2-CD1 3.6Å; V7-L17 HydrophobicContact CG2-CG 3.98Å; F15-L17 HydrophobicContact CD2-CD2 4.03Å; F15-L17 HydrophobicContact CD2-CG 4.18Å; F15-L17 HydrophobicContact CE2-CD1 4.25Å; F15-L17 HydrophobicContact CE2-CD2 3.98Å; F15-L17 HydrophobicContact CE2-CG 4.03Å; L17-M19 HydrophobicContact CD1-SD 4.44Å; L17-I28 HydrophobicContact CD1-CG2 3.69Å; L17-I32 HydrophobicContact CD1-CD1 4.43Å; L17-I32 HydrophobicContact CD1-CG1 3.97Å; L17-M35 HydrophobicContact CD2-CE 3.7Å; L17-M35 HydrophobicContact CD2-SD 3.39Å; L17-M35 WeakPolarHBondContact CD2-SD 3.24Å
18R98.1Very high95Very high168 Ų16859.3 Ų59.363%0.63430%0.3SS*.EExtended strand (participates in β ladder)trans-119.2118.7171.6-172176.6174-163.8-3.2109.6S2 V3 R31S2-R18 PolarHBondContact OG-NE 3.39Å; S2-R18 VanDerWaalsContact OG-NE 3.15Å; S2-R18 PolarHBondContact OG-NH2 2.79Å; V3-R18 WeakPolarHBondContact O-CA 3.49Å; R18-R31 PolarHBondContact O-NH1 3.31Å
19M98.1Very high95.1Very high2 Ų257.2 Ų57.21%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-140.8158.9-167.4-68.6-166.564.800110.1S2 V3 F5 L17 E23 Q27 I28 I70S2-M19 CarbonylContact C-O 3.52Å; S2-M19 VanDerWaalsContact CA-O 3.3Å; S2-M19 WeakPolarHBondContact CA-O 3.48Å; V3-M19 PolarHBondContact N-O 3.09Å; V3-M19 PolarHBondContact O-N 3.34Å; F5-M19 HydrophobicContact CE1-CB 4.16Å; F5-M19 HydrophobicContact CE1-CG 4.27Å; F5-M19 HydrophobicContact CE1-SD 4.27Å; F5-M19 HydrophobicContact CZ-SD 4.01Å; L17-M19 HydrophobicContact CD1-SD 4.44Å; M19-E23 WeakPolarHBondContact CA-OE2 3.42Å; M19-E23 WeakPolarHBondContact CB-OE2 3.35Å; M19-E23 HydrophobicContact CE-CB 3.77Å; M19-E23 VanDerWaalsContact CE-CD 3.47Å; M19-E23 HydrophobicContact CE-CG 4.23Å; M19-E23 WeakPolarHBondContact CE-OE2 3.38Å; M19-Q27 HydrophobicContact CE-CB 4.16Å; M19-I28 HydrophobicContact CE-CB 4.38Å; M19-I28 HydrophobicContact CE-CG1 3.8Å; M19-I28 HydrophobicContact SD-CB 4.09Å; M19-I28 HydrophobicContact SD-CG1 3.73Å; M19-I28 HydrophobicContact SD-CG2 4.12Å; M19-I70 HydrophobicContact CB-CD1 3.5Å; M19-I70 HydrophobicContact CE-CD1 4.17Å; M19-I70 HydrophobicContact CG-CD1 4.38Å; M19-I70 HydrophobicContact SD-CD1 4.23Å
20D98.3Very high95.2Very high79 Ų7963.1 Ų63.142%0.42231%0.309SS..EExtended strand (participates in β ladder)trans-82.2140.9172.9-77.1-54000110.6S22 E23D20-S22 PolarHBondContact O-N 3.35Å; D20-E23 HydrophobicContact CB-CG 4.23Å; D20-E23 PolarHBondContact N-OE2 3.2Å; D20-E23 VanDerWaalsContact O-CB 3.31Å; D20-E23 WeakPolarHBondContact O-CB 3.49Å; D20-E23 PolarHBondContact O-N 2.91Å
21G98Very high95.6Very high0 Ų058 Ų580%028%0.284CS..THydrogen-bonded Turntrans-55.2-23.3-178.900000115.5M1 I70 D71M1-G21 PolarHBondContact O-N 2.68Å; G21-I70 WeakPolarHBondContact O-CB 3.41Å; G21-I70 PolarHBondContact O-N 2.96Å; G21-D71 VanDerWaalsContact C-CG 3.43Å; G21-D71 VanDerWaalsContact CA-CG 3.45Å; G21-D71 VanDerWaalsContact CA-OD1 3.27Å; G21-D71 WeakPolarHBondContact CA-OD1 3.37Å; G21-D71 WeakPolarHBondContact CA-OD2 3.2Å; G21-D71 VanDerWaalsContact O-CG 3.24Å; G21-D71 PolarHBondContact O-N 2.83Å
22S98.2Very high96.1Very high92 Ų9255.6 Ų55.664%0.64327%0.27SS*.THydrogen-bonded Turntrans-82.9-9.317455.10000114.8D20D20-S22 PolarHBondContact O-N 3.35Å
23E98.3Very high96.9Very high30 Ų3055.5 Ų55.514%0.1427%0.267CS..  trans-68.6144.4174.3-70-173102.700110.5M19 D20 R31 S69 I70M19-E23 WeakPolarHBondContact CA-OE2 3.42Å; M19-E23 WeakPolarHBondContact CB-OE2 3.35Å; M19-E23 HydrophobicContact CE-CB 3.77Å; M19-E23 VanDerWaalsContact CE-CD 3.47Å; M19-E23 HydrophobicContact CE-CG 4.23Å; M19-E23 WeakPolarHBondContact CE-OE2 3.38Å; D20-E23 HydrophobicContact CB-CG 4.23Å; D20-E23 PolarHBondContact N-OE2 3.2Å; D20-E23 VanDerWaalsContact O-CB 3.31Å; D20-E23 WeakPolarHBondContact O-CB 3.49Å; D20-E23 PolarHBondContact O-N 2.91Å; E23-R31 IonicContact OE1-CZ 3.28Å; E23-R31 IonicContact OE1-NE 3.36Å; E23-R31 IonicContact OE1-NH2 2.68Å; E23-R31 PolarHBondContact OE1-NH2 2.85Å; E23-R31 IonicContact OE2-CZ 2.74Å; E23-R31 IonicContact OE2-NH2 3.87Å; E23-R31 PolarHBondContact OE2-NH2 3.48Å; E23-S69 WeakPolarHBondContact O-CA 3.45Å; E23-I70 HydrophobicContact CB-CD1 4.14Å; E23-I70 PolarHBondContact O-N 3.27Å
24I98.4Very high97Very high46 Ų4659.9 Ų59.924%0.23629%0.287CS..BIsolated β-bridgetrans-90.8154.7-178.559.2171.2000112R26 Q27 I28 E68I24-R26 HydrophobicContact CD1-CB 4.03Å; I24-R26 HydrophobicContact CG1-CB 4.28Å; I24-R26 PolarHBondContact O-N 3.14Å; I24-R26 VanDerWaalsContact O-N 3.11Å; I24-Q27 HydrophobicContact CG1-CB 4.43Å; I24-Q27 HydrophobicContact CG1-CG 3.86Å; I24-Q27 WeakPolarHBondContact O-CA 3.47Å; I24-Q27 VanDerWaalsContact O-CB 3.32Å; I24-Q27 WeakPolarHBondContact O-CB 3.2Å; I24-Q27 PolarHBondContact O-N 3.42Å; I24-I28 PolarHBondContact O-N 2.64Å; I24-E68 CarbonylContact C-O 3.51Å; I24-E68 VanDerWaalsContact CA-O 3.32Å; I24-E68 WeakPolarHBondContact CA-O 3.32Å
25V98.5Very high96.8Very high0 Ų058.9 Ų58.90%028%0.283CS..Hα-helixtrans-51-37.3178.1168.30000112.4Q27 I28 K29 L57 L64 G65 E68V25-Q27 VanDerWaalsContact C-N 3.27Å; V25-Q27 PolarHBondContact O-N 2.97Å; V25-I28 HydrophobicContact CG2-CD1 4.22Å; V25-I28 WeakPolarHBondContact O-CA 3.02Å; V25-I28 VanDerWaalsContact O-CB 3.28Å; V25-I28 WeakPolarHBondContact O-CB 3.35Å; V25-I28 PolarHBondContact O-N 2.8Å; V25-K29 PolarHBondContact O-N 3.28Å; V25-L57 HydrophobicContact CG1-CD1 4.19Å; V25-L64 HydrophobicContact CG1-CB 3.95Å; V25-L64 HydrophobicContact CG2-CB 3.8Å; V25-L64 HydrophobicContact CG2-CD1 4.24Å; V25-G65 VanDerWaalsContact CB-O 3.28Å; V25-G65 WeakPolarHBondContact CB-O 3.47Å; V25-E68 HydrophobicContact CG2-CB 4.16Å; V25-E68 VanDerWaalsContact CG2-O 3.31Å; V25-E68 WeakPolarHBondContact CG2-O 3.25Å; V25-E68 PolarHBondContact N-O 3.5Å
26R98.1Very high95.9Very high90 Ų9057.5 Ų57.534%0.3428%0.28SS..Hα-helixtrans-60.4-31.9174-167174.3-173.2-171.84.3113.9I24 R30 D66I24-R26 HydrophobicContact CD1-CB 4.03Å; I24-R26 HydrophobicContact CG1-CB 4.28Å; I24-R26 PolarHBondContact O-N 3.14Å; I24-R26 VanDerWaalsContact O-N 3.11Å; R26-R30 WeakPolarHBondContact O-CG 3.26Å; R26-R30 PolarHBondContact O-N 3.47Å; R26-R30 VanDerWaalsContact O-N 3.15Å; R26-D66 HydrophobicContact CB-CB 4.18Å; R26-D66 WeakPolarHBondContact CB-O 3.34Å; R26-D66 PolarHBondContact N-O 3.4Å
27Q98Very high94.4Very high75 Ų7559.4 Ų59.435%0.3529%0.291SS..Hα-helixtrans-73.6-34.1173.4-68.2166.6-27.500111.3M19 I24 V25 R30 R31M19-Q27 HydrophobicContact CE-CB 4.16Å; I24-Q27 HydrophobicContact CG1-CB 4.43Å; I24-Q27 HydrophobicContact CG1-CG 3.86Å; I24-Q27 WeakPolarHBondContact O-CA 3.47Å; I24-Q27 VanDerWaalsContact O-CB 3.32Å; I24-Q27 WeakPolarHBondContact O-CB 3.2Å; I24-Q27 PolarHBondContact O-N 3.42Å; V25-Q27 VanDerWaalsContact C-N 3.27Å; V25-Q27 PolarHBondContact O-N 2.97Å; Q27-R30 PolarHBondContact O-N 2.74Å; Q27-R31 WeakPolarHBondContact O-CG 3.48Å; Q27-R31 PolarHBondContact O-N 3.21Å
28I98Very high92.9Very high0 Ų060.9 Ų60.90%030%0.302CS..Hα-helixtrans-59.1-50.7171.4-46.6176.4000109.2F5 L17 M19 I24 V25 R30 R31 I32 L57 I70F5-I28 HydrophobicContact CE2-CG2 4.1Å; F5-I28 HydrophobicContact CZ-CD1 4Å; F5-I28 HydrophobicContact CZ-CG1 4.3Å; F5-I28 HydrophobicContact CZ-CG2 3.85Å; L17-I28 HydrophobicContact CD1-CG2 3.69Å; M19-I28 HydrophobicContact CE-CB 4.38Å; M19-I28 HydrophobicContact CE-CG1 3.8Å; M19-I28 HydrophobicContact SD-CB 4.09Å; M19-I28 HydrophobicContact SD-CG1 3.73Å; M19-I28 HydrophobicContact SD-CG2 4.12Å; I24-I28 PolarHBondContact O-N 2.64Å; V25-I28 HydrophobicContact CG2-CD1 4.22Å; V25-I28 WeakPolarHBondContact O-CA 3.02Å; V25-I28 VanDerWaalsContact O-CB 3.28Å; V25-I28 WeakPolarHBondContact O-CB 3.35Å; V25-I28 PolarHBondContact O-N 2.8Å; I28-R30 PolarHBondContact O-N 3.28Å; I28-R31 PolarHBondContact O-N 2.94Å; I28-I32 HydrophobicContact CG2-CD1 4.02Å; I28-I32 HydrophobicContact CG2-CG1 4.49Å; I28-I32 WeakPolarHBondContact O-CG1 3.34Å; I28-I32 PolarHBondContact O-N 3.02Å; I28-L57 HydrophobicContact CB-CD1 4.01Å; I28-L57 HydrophobicContact CG2-CD1 3.84Å; I28-I70 HydrophobicContact CD1-CD1 4.1Å; I28-I70 HydrophobicContact CD1-CG1 3.78Å; I28-I70 HydrophobicContact CG1-CD1 4.2Å; I28-I70 HydrophobicContact CG1-CG1 4.33Å
29K97.8Very high91.3Very high15 Ų1553 Ų537%0.06527%0.272CS..Hα-helixtrans-58.1-42.9179.6-66.9178.4172-168.70113.1V25 R31 I32 E33 S52 Q55 L57 D66V25-K29 PolarHBondContact O-N 3.28Å; K29-R31 PolarHBondContact O-N 3.32Å; K29-I32 WeakPolarHBondContact O-CB 3.42Å; K29-I32 PolarHBondContact O-N 2.95Å; K29-E33 WeakPolarHBondContact O-CB 3.46Å; K29-E33 PolarHBondContact O-N 3.33Å; K29-S52 WeakPolarHBondContact CD-O 3.45Å; K29-Q55 HydrophobicContact CD-CB 4.35Å; K29-Q55 WeakPolarHBondContact CE-O 3.45Å; K29-Q55 HydrophobicContact CG-CB 4.21Å; K29-Q55 PolarHBondContact NZ-O 3.4Å; K29-Q55 PolarHBondContact O-NE2 3.41Å; K29-Q55 PolarHBondContact O-OE1 2.98Å; K29-L57 HydrophobicContact CG-CD1 3.8Å; K29-L57 HydrophobicContact CG-CG 4.26Å; K29-D66 WeakPolarHBondContact CE-OD1 3.39Å; K29-D66 IonicContact NZ-OD1 2.77Å; K29-D66 PolarHBondContact NZ-OD1 3.28Å
30R97Very high89.8Confident127 Ų12759.1 Ų59.148%0.47931%0.312SS..Hα-helixtrans-64.9-34.8173.9-73.7176.1178.4176.8-1.1113.6R26 Q27 I28 V34R26-R30 WeakPolarHBondContact O-CG 3.26Å; R26-R30 PolarHBondContact O-N 3.47Å; R26-R30 VanDerWaalsContact O-N 3.15Å; Q27-R30 PolarHBondContact O-N 2.74Å; I28-R30 PolarHBondContact O-N 3.28Å; R30-V34 WeakPolarHBondContact O-CG2 3.28Å; R30-V34 PolarHBondContact O-N 3.48Å
31R96.2Very high88.4Confident95 Ų9561.4 Ų61.436%0.35832%0.315SS..Hα-helixtrans-69.6-39.1173.3-71.3-171.6-171.9-161.711.3111.2R18 E23 Q27 I28 K29 V34 M35R18-R31 PolarHBondContact O-NH1 3.31Å; E23-R31 IonicContact OE1-CZ 3.28Å; E23-R31 IonicContact OE1-NE 3.36Å; E23-R31 IonicContact OE1-NH2 2.68Å; E23-R31 PolarHBondContact OE1-NH2 2.85Å; E23-R31 IonicContact OE2-CZ 2.74Å; E23-R31 IonicContact OE2-NH2 3.87Å; E23-R31 PolarHBondContact OE2-NH2 3.48Å; Q27-R31 WeakPolarHBondContact O-CG 3.48Å; Q27-R31 PolarHBondContact O-N 3.21Å; I28-R31 PolarHBondContact O-N 2.94Å; K29-R31 PolarHBondContact O-N 3.32Å; R31-V34 PolarHBondContact O-N 3.28Å; R31-M35 VanDerWaalsContact O-CB 3.29Å; R31-M35 WeakPolarHBondContact O-CB 3.47Å; R31-M35 VanDerWaalsContact O-CG 3.31Å; R31-M35 WeakPolarHBondContact O-CG 3.28Å; R31-M35 PolarHBondContact O-N 2.89Å
32I95.7Very high87Confident0 Ų062.4 Ų62.40%032%0.32CS..Hα-helixtrans-62.1-44.3173.1-66.9170.5000110.6V7 F15 L17 I28 K29 V34 M35 A36 L57 L83V7-I32 HydrophobicContact CG1-CD1 4.1Å; V7-I32 HydrophobicContact CG2-CD1 4.23Å; F15-I32 HydrophobicContact CE2-CG1 4.06Å; F15-I32 HydrophobicContact CZ-CG1 4Å; F15-I32 HydrophobicContact CZ-CG2 4.23Å; L17-I32 HydrophobicContact CD1-CD1 4.43Å; L17-I32 HydrophobicContact CD1-CG1 3.97Å; I28-I32 HydrophobicContact CG2-CD1 4.02Å; I28-I32 HydrophobicContact CG2-CG1 4.49Å; I28-I32 WeakPolarHBondContact O-CG1 3.34Å; I28-I32 PolarHBondContact O-N 3.02Å; K29-I32 WeakPolarHBondContact O-CB 3.42Å; K29-I32 PolarHBondContact O-N 2.95Å; I32-V34 VanDerWaalsContact C-N 3.29Å; I32-V34 PolarHBondContact O-N 2.99Å; I32-M35 PolarHBondContact O-N 3.26Å; I32-M35 VanDerWaalsContact O-N 3.09Å; I32-A36 HydrophobicContact CG2-CB 4.37Å; I32-A36 WeakPolarHBondContact O-CB 3.46Å; I32-A36 PolarHBondContact O-N 3.28Å; I32-L57 HydrophobicContact CD1-CD1 4.19Å; I32-L57 HydrophobicContact CD1-CD2 3.73Å; I32-L83 HydrophobicContact CG2-CD2 3.81Å
33E94.3Very high85.5Confident59 Ų5964.1 Ų64.128%0.27632%0.322SS..Hα-helixtrans-53.9-44.1176.8178171.4-159.800111.9K29 G49 L50K29-E33 WeakPolarHBondContact O-CB 3.46Å; K29-E33 PolarHBondContact O-N 3.33Å; E33-G49 WeakPolarHBondContact O-CA 3.4Å; E33-L50 WeakPolarHBondContact CA-O 3.36Å; E33-L50 VanDerWaalsContact CB-O 3.28Å; E33-L50 WeakPolarHBondContact CB-O 3.49Å; E33-L50 VanDerWaalsContact CG-O 3.32Å; E33-L50 WeakPolarHBondContact CG-O 3.47Å
34V92.5Very high84.2Confident128 Ų12867.2 Ų67.278%0.77635%0.352SS*.Hα-helixtrans-76.4-28.7177.41770000113.4R30 R31 I32R30-V34 WeakPolarHBondContact O-CG2 3.28Å; R30-V34 PolarHBondContact O-N 3.48Å; R31-V34 PolarHBondContact O-N 3.28Å; I32-V34 VanDerWaalsContact C-N 3.29Å; I32-V34 PolarHBondContact O-N 2.99Å
35M89.1Confident82.8Confident96 Ų9668.8 Ų68.847%0.47337%0.368SS..Hα-helixtrans-93.4-25.9-175.8-75.8-177.156.600114.6F15 L17 R31 I32 V37F15-M35 HydrophobicContact CD2-CE 4.08Å; L17-M35 HydrophobicContact CD2-CE 3.7Å; L17-M35 HydrophobicContact CD2-SD 3.39Å; L17-M35 WeakPolarHBondContact CD2-SD 3.24Å; R31-M35 VanDerWaalsContact O-CB 3.29Å; R31-M35 WeakPolarHBondContact O-CB 3.47Å; R31-M35 VanDerWaalsContact O-CG 3.31Å; R31-M35 WeakPolarHBondContact O-CG 3.28Å; R31-M35 PolarHBondContact O-N 2.89Å; I32-M35 PolarHBondContact O-N 3.26Å; I32-M35 VanDerWaalsContact O-N 3.09Å; M35-V37 PolarHBondContact O-N 3.41Å
36A76Confident81.6Confident14 Ų1470 Ų7012%0.11637%0.373CS..  trans-68.797.3-17600000109.6I32 C38 L50I32-A36 HydrophobicContact CG2-CB 4.37Å; I32-A36 WeakPolarHBondContact O-CB 3.46Å; I32-A36 PolarHBondContact O-N 3.28Å; A36-C38 PolarHBondContact O-N 3.46Å; A36-L50 HydrophobicContact CB-CD1 4.03Å; A36-L50 HydrophobicContact CB-CG 4.3Å
37V66Low80.4Confident126 Ų12670.9 Ų70.976%0.76439%0.393SS*.  trans-59.1111.6164.3179.30000106.3M35M35-V37 PolarHBondContact O-N 3.41Å
38C65.4Low79.5Confident37 Ų3771.7 Ų71.725%0.2541%0.412CS..  trans-52.1127.8-167.2-153.40000111.3A36 F46A36-C38 PolarHBondContact O-N 3.46Å; C38-F46 WeakPolarHBondContact SG-CB 3.48Å; C38-F46 PolarHBondContact SG-O 3.4Å
39P66.1Low78.9Confident2 Ų272.1 Ų72.11%0.01342%0.417CS..  trans-54.4140.6-178.3-22.626.3000111D12 W41 L42D12-P39 WeakPolarHBondContact OD1-CA 3.31Å; D12-P39 WeakPolarHBondContact OD1-CB 3.43Å; D12-P39 VanDerWaalsContact OD1-CG 3.32Å; D12-P39 WeakPolarHBondContact OD1-CG 3.49Å; P39-W41 HydrophobicContact CB-CD2 4.39Å; P39-W41 HydrophobicContact CB-CG 4.35Å; P39-W41 HydrophobicContact CB-CZ2 4.18Å; P39-W41 HydrophobicContact CG-CZ2 4.29Å; P39-W41 PolarHBondContact O-N 3.07Å; P39-L42 HydrophobicContact CB-CD1 3.94Å; P39-L42 HydrophobicContact CG-CD1 3.66Å; P39-L42 PolarHBondContact O-N 2.98Å
40P65.3Low78.6Confident131 Ų13171.4 Ų71.485%0.85141%0.414SS*.THydrogen-bonded Turntrans-66.9-1.2-172.726.6-35.6000115.1
41W69Low78.4Confident127 Ų12766.6 Ų66.648%0.48140%0.399SS..THydrogen-bonded Turntrans-106.5-11.6174.861.3-91.4000113.7T11 P39T11-W41 HydrophobicContact CG2-CZ2 3.71Å; T11-W41 VanDerWaalsContact CG2-NE1 3.27Å; P39-W41 HydrophobicContact CB-CD2 4.39Å; P39-W41 HydrophobicContact CB-CG 4.35Å; P39-W41 HydrophobicContact CB-CZ2 4.18Å; P39-W41 HydrophobicContact CG-CZ2 4.29Å; P39-W41 PolarHBondContact O-N 3.07Å
42L68.3Low78.4Confident20 Ų2062.2 Ų62.211%0.10538%0.383CS..SBendtrans-74.5140.6163.4-92.194.9000108.5P39 F46 L50 I90P39-L42 HydrophobicContact CB-CD1 3.94Å; P39-L42 HydrophobicContact CG-CD1 3.66Å; P39-L42 PolarHBondContact O-N 2.98Å; L42-F46 HydrophobicContact CB-CD2 4.43Å; L42-F46 HydrophobicContact CD2-CB 4.1Å; L42-F46 HydrophobicContact CD2-CD1 4.32Å; L42-F46 HydrophobicContact CD2-CD2 3.68Å; L42-F46 HydrophobicContact CD2-CE2 4.17Å; L42-F46 HydrophobicContact CD2-CG 3.76Å; L42-L50 HydrophobicContact CD1-CD2 4.34Å; L42-L50 HydrophobicContact CD2-CD2 3.69Å; L42-I90 HydrophobicContact CD2-CD1 4.5Å
43D67.7Low78.3Confident128 Ų12867.9 Ų67.968%0.68441%0.409SS*.  trans-57.5145.7175.5-83.5-46.2000111.3S45 F46D43-S45 WeakPolarHBondContact CB-OG 3.1Å; D43-S45 PolarHBondContact O-N 3.47Å; D43-S45 PolarHBondContact O-OG 3.35Å; D43-F46 PolarHBondContact O-N 3.08Å
44A69.7Low78.4Confident95 Ų9565.1 Ų65.179%0.78540%0.397SS*.G310 helixtrans-63.2-4.9-17600000114.2F46 S47A44-F46 PolarHBondContact O-N 3.38Å; A44-S47 PolarHBondContact O-N 2.87Å
45S70.6Confident78.5Confident79 Ų7959 Ų5955%0.55236%0.36SS*.G310 helixtrans-55-38165.242.50000112.1D43 S47D43-S45 WeakPolarHBondContact CB-OG 3.1Å; D43-S45 PolarHBondContact O-N 3.47Å; D43-S45 PolarHBondContact O-OG 3.35Å; S45-S47 PolarHBondContact O-N 2.92Å
46F71.7Confident78.9Confident25 Ų2558.8 Ų58.811%0.1135%0.353CS..G310 helixtrans-78.128.5-179.8-68.6-82.4000114.3C38 L42 D43 A44 A48 G49 P51 I90 N94C38-F46 WeakPolarHBondContact SG-CB 3.48Å; C38-F46 PolarHBondContact SG-O 3.4Å; L42-F46 HydrophobicContact CB-CD2 4.43Å; L42-F46 HydrophobicContact CD2-CB 4.1Å; L42-F46 HydrophobicContact CD2-CD1 4.32Å; L42-F46 HydrophobicContact CD2-CD2 3.68Å; L42-F46 HydrophobicContact CD2-CE2 4.17Å; L42-F46 HydrophobicContact CD2-CG 3.76Å; D43-F46 PolarHBondContact O-N 3.08Å; A44-F46 PolarHBondContact O-N 3.38Å; F46-A48 PolarHBondContact O-N 2.96Å; F46-G49 PolarHBondContact O-N 3.11Å; F46-P51 HydrophobicContact CE1-CG 4.41Å; F46-I90 HydrophobicContact CE2-CG2 4.28Å; F46-I90 HydrophobicContact CZ-CG2 3.95Å; F46-N94 VanDerWaalsContact CZ-OD1 3.25Å; F46-N94 WeakPolarHBondContact CZ-OD1 3.32Å
47S73.1Confident80Confident110 Ų11058.1 Ų58.177%0.76935%0.348SS*.THydrogen-bonded Turntrans-59.4-12.5174.369.70000114.8A44 S45A44-S47 PolarHBondContact O-N 2.87Å; S45-S47 PolarHBondContact O-N 2.92Å
48A79.4Confident81.5Confident91 Ų9153.7 Ų53.775%0.75232%0.321SS*.THydrogen-bonded Turntrans-85.3-11.3175.900000114.3F46F46-A48 PolarHBondContact O-N 2.96Å
49G86.6Confident83.1Confident9 Ų952.9 Ų52.99%0.09331%0.313CS..  trans112.6-177.2-174.400000113.4E33 F46E33-G49 WeakPolarHBondContact O-CA 3.4Å; F46-G49 PolarHBondContact O-N 3.11Å
50L90.4Very high84.6Confident1 Ų161.1 Ų61.11%0.00534%0.344CS..  trans-88.3114.2174.6-71.3172.1000109.8E33 A36 L42 Q55 I85E33-L50 WeakPolarHBondContact CA-O 3.36Å; E33-L50 VanDerWaalsContact CB-O 3.28Å; E33-L50 WeakPolarHBondContact CB-O 3.49Å; E33-L50 VanDerWaalsContact CG-O 3.32Å; E33-L50 WeakPolarHBondContact CG-O 3.47Å; A36-L50 HydrophobicContact CB-CD1 4.03Å; A36-L50 HydrophobicContact CB-CG 4.3Å; L42-L50 HydrophobicContact CD1-CD2 4.34Å; L42-L50 HydrophobicContact CD2-CD2 3.69Å; L50-Q55 PolarHBondContact O-NE2 3.07Å; L50-I85 HydrophobicContact CD1-CD1 3.61Å; L50-I85 HydrophobicContact CD1-CG1 4.29Å; L50-I85 HydrophobicContact CD2-CD1 4.14Å
51P93.4Very high86.2Confident25 Ų2562.7 Ų62.716%0.16235%0.345CS..  trans-58.8142.9-176.319.6-29000112F46 E53 V54F46-P51 HydrophobicContact CE1-CG 4.41Å; P51-E53 PolarHBondContact O-N 3.05Å; P51-V54 HydrophobicContact CG-CG1 4.05Å; P51-V54 HydrophobicContact CG-CG2 3.95Å; P51-V54 WeakPolarHBondContact O-CG2 3.39Å; P51-V54 PolarHBondContact O-N 3.12Å
52S95.3Very high87.6Confident4 Ų463 Ų633%0.02835%0.347CS..G310 helixtrans-59.8-24.7-171.880.30000113.9K29K29-S52 WeakPolarHBondContact CD-O 3.45Å
53E94.7Very high89Confident118 Ų11866.2 Ų66.255%0.55136%0.361SS*.G310 helixtrans-72.9-32.3-177.6-63.766.7-148.700112.8P51 Q55 L89P51-E53 PolarHBondContact O-N 3.05Å; E53-Q55 VanDerWaalsContact C-N 3.33Å; E53-L89 WeakPolarHBondContact O-CD1 3.32Å
54V95.1Very high90.5Very high2 Ų260.4 Ų60.41%0.01233%0.33CS..G310 helixtrans-86.4-6.6179.4-50.30000112.9P51 I85 D86 L89 I90P51-V54 HydrophobicContact CG-CG1 4.05Å; P51-V54 HydrophobicContact CG-CG2 3.95Å; P51-V54 WeakPolarHBondContact O-CG2 3.39Å; P51-V54 PolarHBondContact O-N 3.12Å; V54-I85 HydrophobicContact CG2-CG2 4.22Å; V54-D86 PolarHBondContact O-N 3.5Å; V54-L89 HydrophobicContact CB-CB 4.37Å; V54-L89 HydrophobicContact CG1-CB 3.83Å; V54-I90 HydrophobicContact CB-CG1 4.08Å; V54-I90 HydrophobicContact CG1-CG1 3.88Å; V54-I90 HydrophobicContact CG2-CG1 4.2Å
55Q96.2Very high91.8Very high0 Ų057.6 Ų57.60%031%0.31CS..EExtended strand (participates in β ladder)trans-87.8122.9-178.6-60178.832.700110.9K29 L50 E53 L83K29-Q55 HydrophobicContact CD-CB 4.35Å; K29-Q55 WeakPolarHBondContact CE-O 3.45Å; K29-Q55 HydrophobicContact CG-CB 4.21Å; K29-Q55 PolarHBondContact NZ-O 3.4Å; K29-Q55 PolarHBondContact O-NE2 3.41Å; K29-Q55 PolarHBondContact O-OE1 2.98Å; L50-Q55 PolarHBondContact O-NE2 3.07Å; E53-Q55 VanDerWaalsContact C-N 3.33Å; Q55-L83 HydrophobicContact CB-CD1 3.89Å; Q55-L83 HydrophobicContact CG-CD1 4.07Å
56R97.3Very high93.1Very high90 Ų9056.6 Ų56.634%0.3430%0.299SS..EExtended strand (participates in β ladder)trans-113.9119.2171.5-63.8177.165.9-172.5-2.8108.5E63 V84 D86R56-E63 WeakPolarHBondContact CB-OE1 3.38Å; R56-E63 WeakPolarHBondContact CG-OE1 3.32Å; R56-E63 IonicContact CZ-OE1 2.86Å; R56-E63 IonicContact CZ-OE2 3.62Å; R56-E63 IonicContact NE-OE1 2.71Å; R56-E63 PolarHBondContact NE-OE1 3.2Å; R56-E63 IonicContact NE-OE2 3.6Å; R56-E63 PolarHBondContact NE-OE2 3.01Å; R56-E63 IonicContact NH2-OE1 3.72Å; R56-E63 IonicContact NH2-OE2 3.55Å; R56-E63 PolarHBondContact NH2-OE2 2.97Å; R56-V84 HydrophobicContact CB-CB 4.25Å; R56-V84 PolarHBondContact N-O 3.11Å; R56-V84 PolarHBondContact O-N 2.91Å; R56-D86 VanDerWaalsContact CD-OD2 3.26Å; R56-D86 WeakPolarHBondContact CD-OD2 3.28Å; R56-D86 HydrophobicContact CG-CB 4.47Å; R56-D86 IonicContact CZ-OD2 3.51Å; R56-D86 IonicContact NE-OD2 3.44Å; R56-D86 IonicContact NH1-OD2 2.72Å; R56-D86 PolarHBondContact NH1-OD2 3.16Å
57L98.2Very high94.4Very high0 Ų062.3 Ų62.30%033%0.326CS..EExtended strand (participates in β ladder)trans-101.6123.2-177.8-65.4-179.9000109.4V25 I28 K29 I32 L64 V81 H82 L83V25-L57 HydrophobicContact CG1-CD1 4.19Å; I28-L57 HydrophobicContact CB-CD1 4.01Å; I28-L57 HydrophobicContact CG2-CD1 3.84Å; K29-L57 HydrophobicContact CG-CD1 3.8Å; K29-L57 HydrophobicContact CG-CG 4.26Å; I32-L57 HydrophobicContact CD1-CD1 4.19Å; I32-L57 HydrophobicContact CD1-CD2 3.73Å; L57-L64 HydrophobicContact CB-CB 4.33Å; L57-L64 HydrophobicContact CB-CD1 4.1Å; L57-L64 WeakPolarHBondContact O-CB 3.5Å; L57-L64 PolarHBondContact O-N 2.93Å; L57-V81 HydrophobicContact CB-CG1 4.02Å; L57-V81 HydrophobicContact CD2-CG1 4.2Å; L57-H82 WeakPolarHBondContact CA-O 3.25Å; L57-L83 HydrophobicContact CD2-CB 4.23Å; L57-L83 HydrophobicContact CD2-CD1 3.75Å
58V98.4Very high95.6Very high34 Ų3458.3 Ų58.321%0.20630%0.295CS..EExtended strand (participates in β ladder)trans-117.9124.5-176.7-177.50000109.9R62 H82 V84V58-R62 CarbonylContact C-O 3.54Å; V58-R62 WeakPolarHBondContact CA-O 3.48Å; V58-H82 HydrophobicContact CB-CB 4.36Å; V58-H82 PolarHBondContact N-O 2.89Å; V58-H82 PolarHBondContact O-N 3.4Å; V58-V84 HydrophobicContact CG2-CG2 4.18Å
59Y98.6Very high96.5Very high20 Ų2055.5 Ų55.58%0.07827%0.27CS..EExtended strand (participates in β ladder)trans-128.8129.7176.7-177.7-119.1000109.8N61 R62 G74 I75 A79 I80 V81Y59-N61 VanDerWaalsContact C-N 3.28Å; Y59-N61 PolarHBondContact O-N 3.4Å; Y59-R62 PolarHBondContact N-O 3.23Å; Y59-R62 WeakPolarHBondContact O-CB 3.42Å; Y59-R62 PolarHBondContact O-N 3.26Å; Y59-R62 VanDerWaalsContact O-O 3.09Å; Y59-G74 WeakPolarHBondContact CE1-O 3.37Å; Y59-G74 PolarHBondContact OH-O 2.93Å; Y59-I75 HydrophobicContact CD1-CG1 3.83Å; Y59-I75 HydrophobicContact CE1-CG1 4.05Å; Y59-I75 HydrophobicContact CG-CG1 4.16Å; Y59-A79 HydrophobicContact CE2-CB 3.67Å; Y59-I80 VanDerWaalsContact CD2-O 3.31Å; Y59-I80 WeakPolarHBondContact CD2-O 3.31Å; Y59-V81 HydrophobicContact CD2-CG2 4.12Å
60R97.8Very high97.1Very high174 Ų17455 Ų5566%0.65727%0.265SS*.THydrogen-bonded Turntrans49.144.8-176.3-56.6-178.3-173.9-167.45.6113.6R62R60-R62 PolarHBondContact O-N 2.79Å; R60-R62 VanDerWaalsContact O-N 3.16Å
61N97.9Very high97.5Very high165 Ų16559.6 Ų59.688%0.88229%0.29SS*.THydrogen-bonded Turntrans60.515.2-176.5-53.1-23.4000115.2Y59Y59-N61 VanDerWaalsContact C-N 3.28Å; Y59-N61 PolarHBondContact O-N 3.4Å
62R98.2Very high97.7Very high134 Ų13461.8 Ų61.851%0.50631%0.305SS..EExtended strand (participates in β ladder)trans-112.3133.3173.2176.9176170.7-125.7-14.7109.6V58 Y59 R60 E68V58-R62 CarbonylContact C-O 3.54Å; V58-R62 WeakPolarHBondContact CA-O 3.48Å; Y59-R62 PolarHBondContact N-O 3.23Å; Y59-R62 WeakPolarHBondContact O-CB 3.42Å; Y59-R62 PolarHBondContact O-N 3.26Å; Y59-R62 VanDerWaalsContact O-O 3.09Å; R60-R62 PolarHBondContact O-N 2.79Å; R60-R62 VanDerWaalsContact O-N 3.16Å; R62-E68 IonicContact CZ-OE1 3.14Å; R62-E68 IonicContact CZ-OE2 3.62Å; R62-E68 IonicContact NH1-OE1 2.71Å; R62-E68 PolarHBondContact NH1-OE1 3.05Å; R62-E68 IonicContact NH1-OE2 3.81Å; R62-E68 IonicContact NH2-OE1 2.74Å; R62-E68 PolarHBondContact NH2-OE1 3.23Å; R62-E68 IonicContact NH2-OE2 2.96Å; R62-E68 PolarHBondContact NH2-OE2 2.96Å
63E98.3Very high97.8Very high86 Ų8662.1 Ų62.140%0.40231%0.308SS..EExtended strand (participates in β ladder)trans-73.8133.5170.6-177.3162.9-16300110.4R56R56-E63 WeakPolarHBondContact CB-OE1 3.38Å; R56-E63 WeakPolarHBondContact CG-OE1 3.32Å; R56-E63 IonicContact CZ-OE1 2.86Å; R56-E63 IonicContact CZ-OE2 3.62Å; R56-E63 IonicContact NE-OE1 2.71Å; R56-E63 PolarHBondContact NE-OE1 3.2Å; R56-E63 IonicContact NE-OE2 3.6Å; R56-E63 PolarHBondContact NE-OE2 3.01Å; R56-E63 IonicContact NH2-OE1 3.72Å; R56-E63 IonicContact NH2-OE2 3.55Å; R56-E63 PolarHBondContact NH2-OE2 2.97Å
64L98.6Very high98Very high6 Ų658 Ų583%0.03130%0.297CS..PPolyproline II helixtrans-86.9125.6-177.1-62.9-178.4000110.5V25 L57 A73 I75 V81V25-L64 HydrophobicContact CG1-CB 3.95Å; V25-L64 HydrophobicContact CG2-CB 3.8Å; V25-L64 HydrophobicContact CG2-CD1 4.24Å; L57-L64 HydrophobicContact CB-CB 4.33Å; L57-L64 HydrophobicContact CB-CD1 4.1Å; L57-L64 WeakPolarHBondContact O-CB 3.5Å; L57-L64 PolarHBondContact O-N 2.93Å; L64-A73 HydrophobicContact CD2-CB 3.7Å; L64-I75 HydrophobicContact CD1-CD1 3.83Å; L64-V81 HydrophobicContact CD1-CG1 4.22Å
65G98.3Very high98.2Very high37 Ų3758 Ų5838%0.38130%0.297SS..PPolyproline II helixtrans-78.4141.4178.500000112V25 Q67 E68V25-G65 VanDerWaalsContact CB-O 3.28Å; V25-G65 WeakPolarHBondContact CB-O 3.47Å; G65-Q67 PolarHBondContact O-N 3.11Å; G65-E68 PolarHBondContact N-OE2 3.49Å; G65-E68 WeakPolarHBondContact O-CB 3.49Å; G65-E68 PolarHBondContact O-N 2.99Å
66D98.4Very high98.2Very high58 Ų5861.9 Ų61.931%0.3132%0.321SS..THydrogen-bonded Turntrans-52.8-29.3-175.2-8612.2000115.7R26 K29R26-D66 HydrophobicContact CB-CB 4.18Å; R26-D66 WeakPolarHBondContact CB-O 3.34Å; R26-D66 PolarHBondContact N-O 3.4Å; K29-D66 WeakPolarHBondContact CE-OD1 3.39Å; K29-D66 IonicContact NZ-OD1 2.77Å; K29-D66 PolarHBondContact NZ-OD1 3.28Å
67Q98.4Very high98.3Very high145 Ų14563 Ų6368%0.67833%0.334SS*.THydrogen-bonded Turntrans-94.1-3.8-179.2-57.2-63.3-12.800113.5G65G65-Q67 PolarHBondContact O-N 3.11Å
68E98.4Very high98.3Very high26 Ų2665.7 Ų65.712%0.12136%0.361CS..  trans-73.6132.8177-162.4166.4-163.800109.2I24 V25 R62 G65 S72 A73I24-E68 CarbonylContact C-O 3.51Å; I24-E68 VanDerWaalsContact CA-O 3.32Å; I24-E68 WeakPolarHBondContact CA-O 3.32Å; V25-E68 HydrophobicContact CG2-CB 4.16Å; V25-E68 VanDerWaalsContact CG2-O 3.31Å; V25-E68 WeakPolarHBondContact CG2-O 3.25Å; V25-E68 PolarHBondContact N-O 3.5Å; R62-E68 IonicContact CZ-OE1 3.14Å; R62-E68 IonicContact CZ-OE2 3.62Å; R62-E68 IonicContact NH1-OE1 2.71Å; R62-E68 PolarHBondContact NH1-OE1 3.05Å; R62-E68 IonicContact NH1-OE2 3.81Å; R62-E68 IonicContact NH2-OE1 2.74Å; R62-E68 PolarHBondContact NH2-OE1 3.23Å; R62-E68 IonicContact NH2-OE2 2.96Å; R62-E68 PolarHBondContact NH2-OE2 2.96Å; G65-E68 PolarHBondContact N-OE2 3.49Å; G65-E68 WeakPolarHBondContact O-CB 3.49Å; G65-E68 PolarHBondContact O-N 2.99Å; E68-S72 WeakPolarHBondContact CG-OG 3.37Å; E68-A73 HydrophobicContact CG-CB 4.03Å
69S98.4Very high98.3Very high31 Ų3164.4 Ų64.422%0.21735%0.354CS..BIsolated β-bridgetrans-78.7154.4171.171.10000111E23 D71 S72 A73E23-S69 WeakPolarHBondContact O-CA 3.45Å; S69-D71 PolarHBondContact O-N 3.36Å; S69-S72 PolarHBondContact N-OG 3.34Å; S69-S72 PolarHBondContact O-N 3.46Å; S69-S72 PolarHBondContact O-OG 2.9Å; S69-S72 WeakPolarHBondContact OG-CB 3.46Å; S69-S72 PolarHBondContact OG-N 2.99Å; S69-S72 VanDerWaalsContact OG-N 3.14Å; S69-S72 PolarHBondContact OG-OG 3.35Å; S69-A73 WeakPolarHBondContact O-CB 3.44Å; S69-A73 PolarHBondContact O-N 3.31Å
70I98.5Very high98.3Very high0 Ų067.4 Ų67.40%037%0.371CS..THydrogen-bonded Turntrans-51.7-44.1175.7-73.3169.7000111.4V3 F5 M19 G21 E23 I28 A73 G74 I75V3-I70 HydrophobicContact CB-CG2 4.27Å; V3-I70 HydrophobicContact CG1-CG2 4.47Å; V3-I70 HydrophobicContact CG2-CG2 4.22Å; F5-I70 HydrophobicContact CE1-CD1 3.96Å; F5-I70 HydrophobicContact CZ-CD1 4.5Å; M19-I70 HydrophobicContact CB-CD1 3.5Å; M19-I70 HydrophobicContact CE-CD1 4.17Å; M19-I70 HydrophobicContact CG-CD1 4.38Å; M19-I70 HydrophobicContact SD-CD1 4.23Å; G21-I70 WeakPolarHBondContact O-CB 3.41Å; G21-I70 PolarHBondContact O-N 2.96Å; E23-I70 HydrophobicContact CB-CD1 4.14Å; E23-I70 PolarHBondContact O-N 3.27Å; I28-I70 HydrophobicContact CD1-CD1 4.1Å; I28-I70 HydrophobicContact CD1-CG1 3.78Å; I28-I70 HydrophobicContact CG1-CD1 4.2Å; I28-I70 HydrophobicContact CG1-CG1 4.33Å; I70-A73 PolarHBondContact O-N 3.41Å; I70-G74 PolarHBondContact O-N 2.94Å; I70-I75 HydrophobicContact CG1-CD1 4.49Å; I70-I75 HydrophobicContact CG2-CB 3.88Å; I70-I75 HydrophobicContact CG2-CG2 4.08Å; I70-I75 PolarHBondContact O-N 3.02Å; I70-I75 VanDerWaalsContact O-N 3.11Å
71D98.3Very high98.3Very high97 Ų9759.1 Ų59.152%0.51934%0.339SS..THydrogen-bonded Turntrans-65-43.5176.6-70.2-25.7000112G21 S69 A73 G74G21-D71 VanDerWaalsContact C-CG 3.43Å; G21-D71 VanDerWaalsContact CA-CG 3.45Å; G21-D71 VanDerWaalsContact CA-OD1 3.27Å; G21-D71 WeakPolarHBondContact CA-OD1 3.37Å; G21-D71 WeakPolarHBondContact CA-OD2 3.2Å; G21-D71 VanDerWaalsContact O-CG 3.24Å; G21-D71 PolarHBondContact O-N 2.83Å; S69-D71 PolarHBondContact O-N 3.36Å; D71-A73 VanDerWaalsContact C-N 3.35Å; D71-A73 PolarHBondContact O-N 3.47Å; D71-G74 PolarHBondContact O-N 3.39Å; D71-G74 VanDerWaalsContact O-N 3.08Å
72S98.2Very high98.3Very high70 Ų7055.3 Ų55.349%0.4932%0.316SS..THydrogen-bonded Turntrans-70.2-28.8178.6650000113.8E68 S69 G74E68-S72 WeakPolarHBondContact CG-OG 3.37Å; S69-S72 PolarHBondContact N-OG 3.34Å; S69-S72 PolarHBondContact O-N 3.46Å; S69-S72 PolarHBondContact O-OG 2.9Å; S69-S72 WeakPolarHBondContact OG-CB 3.46Å; S69-S72 PolarHBondContact OG-N 2.99Å; S69-S72 VanDerWaalsContact OG-N 3.14Å; S69-S72 PolarHBondContact OG-OG 3.35Å; S72-G74 PolarHBondContact O-N 3.17Å
73A98.3Very high98.3Very high11 Ų1149.3 Ų49.39%0.09129%0.294CS..THydrogen-bonded Turntrans-71.8-10.6170.600000113.1L64 E68 S69 I70 D71 I75L64-A73 HydrophobicContact CD2-CB 3.7Å; E68-A73 HydrophobicContact CG-CB 4.03Å; S69-A73 WeakPolarHBondContact O-CB 3.44Å; S69-A73 PolarHBondContact O-N 3.31Å; I70-A73 PolarHBondContact O-N 3.41Å; D71-A73 VanDerWaalsContact C-N 3.35Å; D71-A73 PolarHBondContact O-N 3.47Å; A73-I75 VanDerWaalsContact C-N 3.3Å; A73-I75 HydrophobicContact CB-CD1 3.87Å; A73-I75 HydrophobicContact CB-CG1 3.88Å; A73-I75 PolarHBondContact O-N 3.34Å
74G98.2Very high98.2Very high31 Ų3148.5 Ų48.532%0.3230%0.295SS..THydrogen-bonded Turntrans69.824.6-176.600000113.8Y59 I70 D71 S72 V76Y59-G74 WeakPolarHBondContact CE1-O 3.37Å; Y59-G74 PolarHBondContact OH-O 2.93Å; I70-G74 PolarHBondContact O-N 2.94Å; D71-G74 PolarHBondContact O-N 3.39Å; D71-G74 VanDerWaalsContact O-N 3.08Å; S72-G74 PolarHBondContact O-N 3.17Å; G74-V76 PolarHBondContact O-N 3.35Å
75I98.5Very high98Very high3 Ų349.6 Ų49.62%0.01530%0.3CS..  trans-76.5112.7177.7-62.6169000108.1V3 F5 Y59 L64 I70 A73 A79 V81V3-I75 HydrophobicContact CG1-CG2 4.44Å; F5-I75 HydrophobicContact CB-CG2 4Å; F5-I75 HydrophobicContact CD1-CG2 3.84Å; F5-I75 HydrophobicContact CE1-CG2 4.47Å; F5-I75 HydrophobicContact CG-CG2 3.89Å; Y59-I75 HydrophobicContact CD1-CG1 3.83Å; Y59-I75 HydrophobicContact CE1-CG1 4.05Å; Y59-I75 HydrophobicContact CG-CG1 4.16Å; L64-I75 HydrophobicContact CD1-CD1 3.83Å; I70-I75 HydrophobicContact CG1-CD1 4.49Å; I70-I75 HydrophobicContact CG2-CB 3.88Å; I70-I75 HydrophobicContact CG2-CG2 4.08Å; I70-I75 PolarHBondContact O-N 3.02Å; I70-I75 VanDerWaalsContact O-N 3.11Å; A73-I75 VanDerWaalsContact C-N 3.3Å; A73-I75 HydrophobicContact CB-CD1 3.87Å; A73-I75 HydrophobicContact CB-CG1 3.88Å; A73-I75 PolarHBondContact O-N 3.34Å; I75-A79 HydrophobicContact CG2-CB 3.91Å; I75-V81 HydrophobicContact CD1-CG2 4.28Å
76V98.2Very high97.8Very high81 Ų8149.3 Ų49.349%0.49129%0.29SS..  trans-101.3168.5179.9-63.90000111.8V3 G74 G78 A79V3-V76 VanDerWaalsContact CG1-C 3.48Å; G74-V76 PolarHBondContact O-N 3.35Å; V76-G78 PolarHBondContact O-N 3.09Å; V76-A79 HydrophobicContact CG2-CB 4.46Å; V76-A79 WeakPolarHBondContact O-CB 3.48Å; V76-A79 PolarHBondContact O-N 3.22Å
77D98.3Very high97.4Very high115 Ų11553 Ų5362%0.61530%0.304SS*.THydrogen-bonded Turntrans-59.7133.7174.3-156.765.6000110.3S4 A79S4-D77 WeakPolarHBondContact CA-OD1 3.35Å; S4-D77 VanDerWaalsContact CB-OD1 3.23Å; S4-D77 WeakPolarHBondContact CB-OD1 3.27Å; S4-D77 PolarHBondContact N-OD1 3.45Å; D77-A79 VanDerWaalsContact C-N 3.32Å; D77-A79 PolarHBondContact O-N 3.03Å
78G98.2Very high97.1Very high56 Ų5652.9 Ų52.958%0.57730%0.303SS*.THydrogen-bonded Turntrans78.32.8-172.200000115.8S4 V76S4-G78 PolarHBondContact O-N 2.83Å; V76-G78 PolarHBondContact O-N 3.09Å
79A98.5Very high96.7Very high7 Ų755.2 Ų55.26%0.05832%0.315CS..  trans-58.9152.2175.100000112.8F5 S6 Y59 I75 V76 D77F5-A79 CarbonylContact C-O 3.57Å; F5-A79 WeakPolarHBondContact CA-O 3.41Å; F5-A79 HydrophobicContact CB-CB 4.02Å; F5-A79 WeakPolarHBondContact CB-O 3.14Å; S6-A79 PolarHBondContact N-O 2.68Å; Y59-A79 HydrophobicContact CE2-CB 3.67Å; I75-A79 HydrophobicContact CG2-CB 3.91Å; V76-A79 HydrophobicContact CG2-CB 4.46Å; V76-A79 WeakPolarHBondContact O-CB 3.48Å; V76-A79 PolarHBondContact O-N 3.22Å; D77-A79 VanDerWaalsContact C-N 3.32Å; D77-A79 PolarHBondContact O-N 3.03Å
80I98.3Very high96.1Very high82 Ų8254.5 Ų54.542%0.42131%0.309SS..EExtended strand (participates in β ladder)trans-114.1118.9172.3-56.4176.1000108.4S6 L8 Y59S6-I80 CarbonylContact O-C 3.6Å; S6-I80 WeakPolarHBondContact O-CA 3.28Å; L8-I80 HydrophobicContact CB-CG2 4.09Å; Y59-I80 VanDerWaalsContact CD2-O 3.31Å; Y59-I80 WeakPolarHBondContact CD2-O 3.31Å
81V98.5Very high95.6Very high0 Ų059 Ų590%033%0.333CS..EExtended strand (participates in β ladder)trans-106.8129.2175.5-178.10000108F5 S6 V7 L8 L57 Y59 L64 I75F5-V81 HydrophobicContact CD2-CB 4.44Å; F5-V81 HydrophobicContact CD2-CG2 3.79Å; F5-V81 HydrophobicContact CE2-CG2 4.15Å; S6-V81 PolarHBondContact O-N 3.46Å; V7-V81 CarbonylContact C-O 3.59Å; V7-V81 VanDerWaalsContact CA-O 3.29Å; V7-V81 WeakPolarHBondContact CA-O 3.46Å; L8-V81 PolarHBondContact N-O 2.83Å; L57-V81 HydrophobicContact CB-CG1 4.02Å; L57-V81 HydrophobicContact CD2-CG1 4.2Å; Y59-V81 HydrophobicContact CD2-CG2 4.12Å; L64-V81 HydrophobicContact CD1-CG1 4.22Å; I75-V81 HydrophobicContact CD1-CG2 4.28Å
82H98Very high95Very high86 Ų8659.3 Ų59.340%0.39834%0.335SS..EExtended strand (participates in β ladder)trans-87.5128.6177.6-65-97.9000110L57 V58L57-H82 WeakPolarHBondContact CA-O 3.25Å; V58-H82 HydrophobicContact CB-CB 4.36Å; V58-H82 PolarHBondContact N-O 2.89Å; V58-H82 PolarHBondContact O-N 3.4Å
83L97.4Very high94.3Very high7 Ų757.8 Ų57.84%0.03733%0.326CS..EExtended strand (participates in β ladder)trans-92.3111.4170.2174.163.7000109V7 L8 I32 Q55 L57 I85V7-L83 HydrophobicContact CG1-CB 3.73Å; L8-L83 PolarHBondContact O-N 3.11Å; I32-L83 HydrophobicContact CG2-CD2 3.81Å; Q55-L83 HydrophobicContact CB-CD1 3.89Å; Q55-L83 HydrophobicContact CG-CD1 4.07Å; L57-L83 HydrophobicContact CD2-CB 4.23Å; L57-L83 HydrophobicContact CD2-CD1 3.75Å; L83-I85 HydrophobicContact CG-CG1 4.48Å
84V96.2Very high93.6Very high69 Ų6959.8 Ų59.842%0.41834%0.336SS..EExtended strand (participates in β ladder)trans-103130.9171.5-177.30000107.7R56 V58R56-V84 HydrophobicContact CB-CB 4.25Å; R56-V84 PolarHBondContact N-O 3.11Å; R56-V84 PolarHBondContact O-N 2.91Å; V58-V84 HydrophobicContact CG2-CG2 4.18Å
85I94.9Very high93Very high29 Ų2962.9 Ų62.915%0.14935%0.345CS..EExtended strand (participates in β ladder)trans-102119.1178.3-57.9173.3000107.5L50 V54 L83 K87 I90L50-I85 HydrophobicContact CD1-CD1 3.61Å; L50-I85 HydrophobicContact CD1-CG1 4.29Å; L50-I85 HydrophobicContact CD2-CD1 4.14Å; V54-I85 HydrophobicContact CG2-CG2 4.22Å; L83-I85 HydrophobicContact CG-CG1 4.48Å; I85-K87 PolarHBondContact O-N 2.78Å; I85-I90 HydrophobicContact CG2-CD1 3.52Å; I85-I90 HydrophobicContact CG2-CG1 4.44Å
86D94.1Very high92.3Very high31 Ų3164.6 Ų64.617%0.16636%0.363CS..  trans-81.6111.4179.7-150.9-49.8000110.6V54 R56 H88 L89 I90V54-D86 PolarHBondContact O-N 3.5Å; R56-D86 VanDerWaalsContact CD-OD2 3.26Å; R56-D86 WeakPolarHBondContact CD-OD2 3.28Å; R56-D86 HydrophobicContact CG-CB 4.47Å; R56-D86 IonicContact CZ-OD2 3.51Å; R56-D86 IonicContact NE-OD2 3.44Å; R56-D86 IonicContact NH1-OD2 2.72Å; R56-D86 PolarHBondContact NH1-OD2 3.16Å; D86-H88 VanDerWaalsContact C-N 3.34Å; D86-H88 PolarHBondContact O-N 2.83Å; D86-H88 IonicContact OD1-CD2 3.62Å; D86-H88 PolarHBondContact OD1-N 2.89Å; D86-L89 HydrophobicContact CB-CD1 4.13Å; D86-L89 HydrophobicContact CB-CG 4.32Å; D86-L89 PolarHBondContact O-N 3.14Å; D86-I90 PolarHBondContact O-N 3.46Å
87K90.8Very high91.5Very high137 Ų13766.5 Ų66.560%0.59637%0.367SS*.Hα-helixtrans-69.3-31.2-174.2-68.7-173.2176.9-175.70112.8I85 L89 I90 D91I85-K87 PolarHBondContact O-N 2.78Å; K87-L89 VanDerWaalsContact C-N 3.32Å; K87-L89 PolarHBondContact O-N 2.89Å; K87-I90 WeakPolarHBondContact O-CB 3.45Å; K87-I90 PolarHBondContact O-N 2.93Å; K87-D91 PolarHBondContact O-N 3.48Å
88H91.5Very high90.9Very high142 Ų14269.2 Ų69.266%0.65737%0.369SS*.Hα-helixtrans-65.3-39.6-179.7-67.8-71.5000111.3D86 I90 D91 D92D86-H88 VanDerWaalsContact C-N 3.34Å; D86-H88 PolarHBondContact O-N 2.83Å; D86-H88 IonicContact OD1-CD2 3.62Å; D86-H88 PolarHBondContact OD1-N 2.89Å; H88-I90 VanDerWaalsContact C-N 3.29Å; H88-I90 PolarHBondContact O-N 3.35Å; H88-D91 PolarHBondContact O-N 3.06Å; H88-D92 PolarHBondContact O-N 2.96Å; H88-D92 VanDerWaalsContact O-N 3.17Å
89L88.8Confident90.3Very high74 Ų7468.8 Ų68.839%0.38736%0.36SS..Hα-helixtrans-70.3-22.9176.5-61.8178.4000113.2E53 V54 D86 K87 A93E53-L89 WeakPolarHBondContact O-CD1 3.32Å; V54-L89 HydrophobicContact CB-CB 4.37Å; V54-L89 HydrophobicContact CG1-CB 3.83Å; D86-L89 HydrophobicContact CB-CD1 4.13Å; D86-L89 HydrophobicContact CB-CG 4.32Å; D86-L89 PolarHBondContact O-N 3.14Å; K87-L89 VanDerWaalsContact C-N 3.32Å; K87-L89 PolarHBondContact O-N 2.89Å; L89-A93 WeakPolarHBondContact O-CB 3.44Å; L89-A93 PolarHBondContact O-N 3.26Å
90I86.1Confident89.7Confident17 Ų1774.4 Ų74.49%0.08739%0.385CS..Hα-helixtrans-67.5-45.6172.1-71.6173.7000110.5L42 F46 V54 I85 D86 K87 H88 A93 N94L42-I90 HydrophobicContact CD2-CD1 4.5Å; F46-I90 HydrophobicContact CE2-CG2 4.28Å; F46-I90 HydrophobicContact CZ-CG2 3.95Å; V54-I90 HydrophobicContact CB-CG1 4.08Å; V54-I90 HydrophobicContact CG1-CG1 3.88Å; V54-I90 HydrophobicContact CG2-CG1 4.2Å; I85-I90 HydrophobicContact CG2-CD1 3.52Å; I85-I90 HydrophobicContact CG2-CG1 4.44Å; D86-I90 PolarHBondContact O-N 3.46Å; K87-I90 WeakPolarHBondContact O-CB 3.45Å; K87-I90 PolarHBondContact O-N 2.93Å; H88-I90 VanDerWaalsContact C-N 3.29Å; H88-I90 PolarHBondContact O-N 3.35Å; I90-A93 PolarHBondContact O-N 3.24Å; I90-N94 WeakPolarHBondContact CG2-ND2 3.4Å; I90-N94 WeakPolarHBondContact O-CB 3.39Å; I90-N94 VanDerWaalsContact O-CG 3.27Å; I90-N94 PolarHBondContact O-N 2.97Å; I90-N94 PolarHBondContact O-ND2 2.94Å; I90-N94 VanDerWaalsContact O-ND2 3.07Å
91D87.7Confident89.1Confident93 Ų9375.1 Ų75.150%0.49739%0.388SS..Hα-helixtrans-65.6-40.6179.7-67.2-30.4000111K87 H88 N94 N95K87-D91 PolarHBondContact O-N 3.48Å; H88-D91 PolarHBondContact O-N 3.06Å; D91-N94 PolarHBondContact O-N 2.96Å; D91-N95 WeakPolarHBondContact O-CB 3.43Å; D91-N95 PolarHBondContact O-N 3.37Å; D91-N95 PolarHBondContact O-ND2 3.28Å; D91-N95 VanDerWaalsContact O-ND2 3.12Å
92D87.3Confident88.6Confident104 Ų10479 Ų7956%0.55641%0.409SS*.Hα-helixtrans-66.2-42174.7-71.9-27.2000112.8H88 N95 G96H88-D92 PolarHBondContact O-N 2.96Å; H88-D92 VanDerWaalsContact O-N 3.17Å; D92-N95 PolarHBondContact O-N 2.83Å; D92-G96 PolarHBondContact O-N 3.28Å
93A82.9Confident88.1Confident38 Ų3883.7 Ų83.731%0.31442%0.423SS..Hα-helixtrans-64.3-42.3176.300000112L89 I90 G96 Q97L89-A93 WeakPolarHBondContact O-CB 3.44Å; L89-A93 PolarHBondContact O-N 3.26Å; I90-A93 PolarHBondContact O-N 3.24Å; A93-G96 PolarHBondContact O-N 3.3Å; A93-Q97 PolarHBondContact O-N 3.08Å
94N83.1Confident87.4Confident54 Ų5488.5 Ų88.529%0.28945%0.448SS..Hα-helixtrans-63-42.8174.1-76.1-37.4000111.6F46 I90 D91 R98F46-N94 VanDerWaalsContact CZ-OD1 3.25Å; F46-N94 WeakPolarHBondContact CZ-OD1 3.32Å; I90-N94 WeakPolarHBondContact CG2-ND2 3.4Å; I90-N94 WeakPolarHBondContact O-CB 3.39Å; I90-N94 VanDerWaalsContact O-CG 3.27Å; I90-N94 PolarHBondContact O-N 2.97Å; I90-N94 PolarHBondContact O-ND2 2.94Å; I90-N94 VanDerWaalsContact O-ND2 3.07Å; D91-N94 PolarHBondContact O-N 2.96Å; N94-R98 VanDerWaalsContact O-CB 3.24Å; N94-R98 WeakPolarHBondContact O-CB 3.42Å; N94-R98 PolarHBondContact O-N 3.15Å
95N85.7Confident86.9Confident95 Ų9590.6 Ų90.651%0.50846%0.457SS..Hα-helixtrans-66.3-38.7176.6-76-31000112.1D91 D92 R98 A99D91-N95 WeakPolarHBondContact O-CB 3.43Å; D91-N95 PolarHBondContact O-N 3.37Å; D91-N95 PolarHBondContact O-ND2 3.28Å; D91-N95 VanDerWaalsContact O-ND2 3.12Å; D92-N95 PolarHBondContact O-N 2.83Å; N95-R98 PolarHBondContact O-N 3.06Å; N95-A99 VanDerWaalsContact O-CB 3.28Å; N95-A99 WeakPolarHBondContact O-CB 3.47Å; N95-A99 PolarHBondContact O-N 3.14Å
96G83.5Confident86.3Confident40 Ų4094.6 Ų94.641%0.41248%0.478SS..Hα-helixtrans-60.7-52.6174.900000112.3D92 A93 R98 A99 E100D92-G96 PolarHBondContact O-N 3.28Å; A93-G96 PolarHBondContact O-N 3.3Å; G96-R98 VanDerWaalsContact C-N 3.31Å; G96-R98 PolarHBondContact O-N 3.5Å; G96-A99 PolarHBondContact O-N 3.33Å; G96-E100 PolarHBondContact O-N 3.27Å
97Q82.5Confident85.5Confident121 Ų12197.4 Ų97.457%0.56550%0.497SS*.Hα-helixtrans-60.6-40175.7-72.2-173.5-4.400112.1A93 E100 I101A93-Q97 PolarHBondContact O-N 3.08Å; Q97-E100 PolarHBondContact O-N 3.48Å; Q97-I101 WeakPolarHBondContact O-CB 3.42Å; Q97-I101 VanDerWaalsContact O-CG1 3.26Å; Q97-I101 WeakPolarHBondContact O-CG1 3.33Å; Q97-I101 PolarHBondContact O-N 3.34Å
98R84.1Confident84.4Confident172 Ų17297.1 Ų97.165%0.64950%0.502SS*.Hα-helixtrans-67.9-36.1177.8-166.2173.4-174177.41112.4N94 N95 G96 N102N94-R98 VanDerWaalsContact O-CB 3.24Å; N94-R98 WeakPolarHBondContact O-CB 3.42Å; N94-R98 PolarHBondContact O-N 3.15Å; N95-R98 PolarHBondContact O-N 3.06Å; G96-R98 VanDerWaalsContact C-N 3.31Å; G96-R98 PolarHBondContact O-N 3.5Å; R98-N102 WeakPolarHBondContact O-CB 3.44Å; R98-N102 PolarHBondContact O-N 2.97Å; R98-N102 PolarHBondContact O-ND2 3.33Å; R98-N102 PolarHBondContact O-OD1 2.91Å
99A86.4Confident83.2Confident47 Ų4794.7 Ų94.739%0.38850%0.501SS..Hα-helixtrans-69.1-36.3173.900000112.2N95 G96 R103N95-A99 VanDerWaalsContact O-CB 3.28Å; N95-A99 WeakPolarHBondContact O-CB 3.47Å; N95-A99 PolarHBondContact O-N 3.14Å; G96-A99 PolarHBondContact O-N 3.33Å; A99-R103 WeakPolarHBondContact O-CB 3.39Å; A99-R103 WeakPolarHBondContact O-CG 3.39Å; A99-R103 PolarHBondContact O-N 2.03Å
100E86.7Confident82Confident125 Ų12598.5 Ų98.558%0.58452%0.52SS*.Hα-helixtrans-68.2-45173.9-172.5171.5-161.900111.8G96 Q97 N102 R103 L104G96-E100 PolarHBondContact O-N 3.27Å; Q97-E100 PolarHBondContact O-N 3.48Å; E100-N102 PolarHBondContact O-N 3.06Å; E100-R103 PolarHBondContact O-N 2.8Å; E100-L104 WeakPolarHBondContact O-CG 3.46Å; E100-L104 PolarHBondContact O-N 3.47Å
101I86.2Confident80.9Confident96 Ų96101.6 Ų101.649%0.49255%0.549SS..Hα-helixtrans-59.5-45.3173.3-69.9164.6000110.9Q97 R103 L104 L105Q97-I101 WeakPolarHBondContact O-CB 3.42Å; Q97-I101 VanDerWaalsContact O-CG1 3.26Å; Q97-I101 WeakPolarHBondContact O-CG1 3.33Å; Q97-I101 PolarHBondContact O-N 3.34Å; I101-R103 PolarHBondContact O-N 3.4Å; I101-L104 PolarHBondContact O-N 2.94Å; I101-L105 HydrophobicContact CG2-CD1 4.04Å; I101-L105 WeakPolarHBondContact O-CG 3.43Å; I101-L105 PolarHBondContact O-N 3.11Å
102N86.3Confident79.6Confident81 Ų81103 Ų10343%0.43356%0.561SS.*Hα-helixtrans-61.7-43.2176.6-71.3-5.8000111.5R98 E100 L104 L105 D106R98-N102 WeakPolarHBondContact O-CB 3.44Å; R98-N102 PolarHBondContact O-N 2.97Å; R98-N102 PolarHBondContact O-ND2 3.33Å; R98-N102 PolarHBondContact O-OD1 2.91Å; E100-N102 PolarHBondContact O-N 3.06Å; N102-L104 VanDerWaalsContact C-N 3.33Å; N102-L104 PolarHBondContact O-N 2.83Å; N102-L105 PolarHBondContact O-N 3.22Å; N102-D106 VanDerWaalsContact O-CG 3.25Å; N102-D106 PolarHBondContact O-N 3.39Å
103R87.8Confident78.4Confident186 Ų186102.4 Ų102.470%0.70257%0.565SS**Hα-helixtrans-60.5-39.3175.6-79.6175.1177173.10.3113.1A99 E100 I101 D106 T107A99-R103 WeakPolarHBondContact O-CB 3.39Å; A99-R103 WeakPolarHBondContact O-CG 3.39Å; A99-R103 PolarHBondContact O-N 2.03Å; E100-R103 PolarHBondContact O-N 2.8Å; I101-R103 PolarHBondContact O-N 3.4Å; R103-D106 PolarHBondContact O-N 3.39Å; R103-T107 PolarHBondContact O-N 2.97Å; R103-T107 VanDerWaalsContact O-N 3.07Å; R103-T107 PolarHBondContact O-OG1 2.91Å
104L83.5Confident77.5Confident108 Ų108108.7 Ų108.757%0.56559%0.593SS**Hα-helixtrans-66.8-39.1176.2-70.9170.2000111.7E100 I101 N102 T107E100-L104 WeakPolarHBondContact O-CG 3.46Å; E100-L104 PolarHBondContact O-N 3.47Å; I101-L104 PolarHBondContact O-N 2.94Å; N102-L104 VanDerWaalsContact C-N 3.33Å; N102-L104 PolarHBondContact O-N 2.83Å; L104-T107 WeakPolarHBondContact CA-OG1 3.32Å; L104-T107 PolarHBondContact O-N 3.03Å; L104-T107 PolarHBondContact O-OG1 3.49Å
105L84.8Confident76.9Confident113 Ų113115 Ų11559%0.59262%0.621SS**Hα-helixtrans-67.4-35.4173.9-68170000112.4I101 N102I101-L105 HydrophobicContact CG2-CD1 4.04Å; I101-L105 WeakPolarHBondContact O-CG 3.43Å; I101-L105 PolarHBondContact O-N 3.11Å; N102-L105 PolarHBondContact O-N 3.22Å
106D82.8Confident75.8Confident112 Ų112116 Ų11660%0.59963%0.634SS**Hα-helixtrans-68.9-33.8176-68.7-30.4000111.9N102 R103 D108 S109N102-D106 VanDerWaalsContact O-CG 3.25Å; N102-D106 PolarHBondContact O-N 3.39Å; R103-D106 PolarHBondContact O-N 3.39Å; D106-D108 PolarHBondContact O-N 2.96Å; D106-S109 WeakPolarHBondContact O-CB 3.43Å; D106-S109 PolarHBondContact O-N 3.29Å
107T77Confident75Confident90 Ų90122.6 Ų122.655%0.55265%0.654SS**Hα-helixtrans-68.2-29.4-179.740.20000114.5R103 L104 S109R103-T107 PolarHBondContact O-N 2.97Å; R103-T107 VanDerWaalsContact O-N 3.07Å; R103-T107 PolarHBondContact O-OG1 2.91Å; L104-T107 WeakPolarHBondContact CA-OG1 3.32Å; L104-T107 PolarHBondContact O-N 3.03Å; L104-T107 PolarHBondContact O-OG1 3.49Å; T107-S109 PolarHBondContact O-N 3.06Å
108D68.4Low74.2Confident131 Ų131125 Ų12570%0.70167%0.665SS**G310 helixtrans-70-14.7177.4-74.2-15.1000112.6D106 L110D106-D108 PolarHBondContact O-N 2.96Å; D108-L110 VanDerWaalsContact C-N 3.32Å; D108-L110 PolarHBondContact O-N 3.3Å
109S65.1Low73.4Confident91 Ų91123.1 Ų123.164%0.63667%0.667SS**G310 helixtrans-79.4-8-177-147.80000114.5D106 T107D106-S109 WeakPolarHBondContact O-CB 3.43Å; D106-S109 PolarHBondContact O-N 3.29Å; T107-S109 PolarHBondContact O-N 3.06Å
110L64.9Low72.2Confident154 Ų154126.2 Ų126.281%0.80668%0.677SS**G310 helixtrans-101.43.8-177.7-67.8176.5000114.4D108 T112D108-L110 VanDerWaalsContact C-N 3.32Å; D108-L110 PolarHBondContact O-N 3.3Å; L110-T112 VanDerWaalsContact C-N 3.3Å; L110-T112 PolarHBondContact O-N 2.99Å
111A62.2Low71.3Confident83 Ų83127 Ų12769%0.68669%0.685SS**  trans-91.539.6176.200000113.3S113A111-S113 VanDerWaalsContact C-N 3.29Å; A111-S113 PolarHBondContact O-N 3.5Å
112T59.4Low70.4Confident122 Ų122127 Ų12775%0.74869%0.689SS**  trans-80.577.3170.156.30000110.2L110L110-T112 VanDerWaalsContact C-N 3.3Å; L110-T112 PolarHBondContact O-N 2.99Å
113S62.4Low69.5Low91 Ų91129.2 Ų129.264%0.63670%0.695SS**  trans-72.7125.8162.254.50000109.4A111 E115A111-S113 VanDerWaalsContact C-N 3.29Å; A111-S113 PolarHBondContact O-N 3.5Å; S113-E115 PolarHBondContact O-N 2.89Å
114D65Low69.3Low171 Ų171123.8 Ų123.891%0.91468%0.683SS**THydrogen-bonded Turntrans-60.26.7-161.9-102.5-32.7000118.7
115E69.7Low69.5Low186 Ų186127.4 Ų127.487%0.86969%0.694SS**THydrogen-bonded Turntrans-127.423.1-171.2-60.8-157.6140.200115.4S113 E117S113-E115 PolarHBondContact O-N 2.89Å; E115-E117 PolarHBondContact O-N 2.82Å
116C63.5Low69.7Low115 Ų115128.9 Ų128.978%0.77770%0.698SS**  trans-77.5115.1163.5-79.80000109.8H118C116-H118 PolarHBondContact O-N 2.91Å
117E67.1Low70.1Confident179 Ų179131 Ų13184%0.83670%0.697SS**  trans-43.9138.6172-65.2-177144.400110.9E115 L119E115-E117 PolarHBondContact O-N 2.82Å; E117-L119 PolarHBondContact O-N 3.38Å
118H64Low70.8Confident171 Ų171132.2 Ų132.279%0.79270%0.697SS**  trans-66.975.7179.9-173.1-9.9000110.4C116 D120C116-H118 PolarHBondContact O-N 2.91Å; H118-D120 PolarHBondContact O-N 3.32Å; H118-D120 VanDerWaalsContact O-N 3.12Å
119L67.5Low72Confident134 Ų134127.9 Ų127.970%0.70268%0.679SS**  trans-55.2119.3158.5-77.9171.2000106E117 L121E117-L119 PolarHBondContact O-N 3.38Å; L119-L121 HydrophobicContact CB-CG 4.3Å; L119-L121 PolarHBondContact O-N 3.03Å
120D62.5Low73.4Confident111 Ų111125.6 Ų125.659%0.59466%0.66SS**  trans-7375.6179.6-161.8-7.9000108.9H118 T122H118-D120 PolarHBondContact O-N 3.32Å; H118-D120 VanDerWaalsContact O-N 3.12Å; D120-T122 VanDerWaalsContact CG-OG1 3.29Å; D120-T122 PolarHBondContact O-N 3.12Å; D120-T122 VanDerWaalsContact O-N 3.1Å; D120-T122 VanDerWaalsContact OD1-CB 3.28Å; D120-T122 WeakPolarHBondContact OD1-CB 3.28Å; D120-T122 WeakPolarHBondContact OD1-CG2 3.45Å; D120-T122 PolarHBondContact OD1-N 3.18Å; D120-T122 PolarHBondContact OD1-OG1 3.04Å
121L67.6Low74.9Confident143 Ų143120.8 Ų120.875%0.74964%0.642SS**  trans-77.128.9172-68.7174.7000110.8L119 F123L119-L121 HydrophobicContact CB-CG 4.3Å; L119-L121 PolarHBondContact O-N 3.03Å; L121-F123 PolarHBondContact O-N 3.31Å
122T67.9Low76.4Confident94 Ų94123.4 Ų123.458%0.57764%0.64SS**  trans-62.984.4156.453.50000108.1D120 T124D120-T122 VanDerWaalsContact CG-OG1 3.29Å; D120-T122 PolarHBondContact O-N 3.12Å; D120-T122 VanDerWaalsContact O-N 3.1Å; D120-T122 VanDerWaalsContact OD1-CB 3.28Å; D120-T122 WeakPolarHBondContact OD1-CB 3.28Å; D120-T122 WeakPolarHBondContact OD1-CG2 3.45Å; D120-T122 PolarHBondContact OD1-N 3.18Å; D120-T122 PolarHBondContact OD1-OG1 3.04Å; T122-T124 PolarHBondContact O-N 3.38Å
123F66.6Low78.2Confident129 Ų129123.6 Ų123.657%0.56663%0.627SS**  trans-55.898161.5-123.1-95.5000105.8L121 K125 R127L121-F123 PolarHBondContact O-N 3.31Å; F123-K125 PolarHBondContact O-N 3.28Å; F123-R127 HydrophobicContact CD1-CB 4.27Å; F123-R127 HydrophobicContact CD1-CG 3.97Å; F123-R127 HydrophobicContact CE1-CB 4.48Å; F123-R127 HydrophobicContact CE1-CG 3.7Å; F123-R127 HydrophobicContact CZ-CG 4.43Å
124T82.8Confident79.9Confident71 Ų71126.5 Ų126.544%0.43662%0.624SS.*  trans-56.8138.5-177.161.20000107.6T122 E126 R127 E128T122-T124 PolarHBondContact O-N 3.38Å; T124-E126 CarbonylContact O-C 3.57Å; T124-E126 PolarHBondContact O-N 3.07Å; T124-R127 WeakPolarHBondContact O-CA 3.31Å; T124-R127 PolarHBondContact O-N 3.07Å; T124-R127 PolarHBondContact OG1-N 3.24Å; T124-E128 PolarHBondContact O-N 3.06Å; T124-E128 VanDerWaalsContact O-N 3.09Å
125K88.3Confident81.4Confident184 Ų184121 Ų12180%0.860%0.602SS**Hα-helixtrans-53-27.2178.2-67.8179.7178.41760111.7F123 A129F123-K125 PolarHBondContact O-N 3.28Å; K125-A129 VanDerWaalsContact O-CB 3.26Å; K125-A129 WeakPolarHBondContact O-CB 3.13Å; K125-A129 PolarHBondContact O-N 2.84Å
126E89.7Confident82.7Confident145 Ų145118.9 Ų118.968%0.67859%0.59SS**Hα-helixtrans-63.2-47.4169.8-172.8-178.6-168.400113.8T124 E128 A129 D130T124-E126 CarbonylContact O-C 3.57Å; T124-E126 PolarHBondContact O-N 3.07Å; E126-E128 VanDerWaalsContact C-N 3.34Å; E126-A129 PolarHBondContact O-N 3.2Å; E126-D130 WeakPolarHBondContact O-CB 3.32Å; E126-D130 PolarHBondContact O-N 3.11Å
127R90Very high84.3Confident157 Ų157119.1 Ų119.159%0.59258%0.58SS**Hα-helixtrans-65.4-36.8176.1-177.1-178.9-81-176-1.8111.7F123 T124 D130 A131F123-R127 HydrophobicContact CD1-CB 4.27Å; F123-R127 HydrophobicContact CD1-CG 3.97Å; F123-R127 HydrophobicContact CE1-CB 4.48Å; F123-R127 HydrophobicContact CE1-CG 3.7Å; F123-R127 HydrophobicContact CZ-CG 4.43Å; T124-R127 WeakPolarHBondContact O-CA 3.31Å; T124-R127 PolarHBondContact O-N 3.07Å; T124-R127 PolarHBondContact OG1-N 3.24Å; R127-D130 PolarHBondContact O-N 3.07Å; R127-A131 WeakPolarHBondContact O-CB 3.49Å; R127-A131 PolarHBondContact O-N 2.9Å
128E91.8Very high85.8Confident114 Ų114115.6 Ų115.653%0.53357%0.567SS.*Hα-helixtrans-64.2-49.5172.5-172.9-176.6-176.100111.2T124 E126 D130 A131 H132T124-E128 PolarHBondContact O-N 3.06Å; T124-E128 VanDerWaalsContact O-N 3.09Å; E126-E128 VanDerWaalsContact C-N 3.34Å; E128-D130 VanDerWaalsContact C-N 3.27Å; E128-D130 PolarHBondContact O-N 3.48Å; E128-A131 WeakPolarHBondContact O-CB 3.45Å; E128-A131 PolarHBondContact O-N 3.01Å; E128-H132 PolarHBondContact O-N 2.91Å
129A93.8Very high87.4Confident41 Ų41111.8 Ų111.834%0.33955%0.552SS.*Hα-helixtrans-59-37.8175.500000112.2K125 E126 H132 R133K125-A129 VanDerWaalsContact O-CB 3.26Å; K125-A129 WeakPolarHBondContact O-CB 3.13Å; K125-A129 PolarHBondContact O-N 2.84Å; E126-A129 PolarHBondContact O-N 3.2Å; A129-H132 PolarHBondContact O-N 2.81Å; A129-R133 WeakPolarHBondContact O-CG 3.4Å; A129-R133 PolarHBondContact O-N 2.9Å
130D95.3Very high88.8Confident43 Ų43109.1 Ų109.123%0.2354%0.536CS..Hα-helixtrans-68.4-41.3176.4-162.858.7000112.9E126 R127 E128 H132 R133 R134E126-D130 WeakPolarHBondContact O-CB 3.32Å; E126-D130 PolarHBondContact O-N 3.11Å; R127-D130 PolarHBondContact O-N 3.07Å; E128-D130 VanDerWaalsContact C-N 3.27Å; E128-D130 PolarHBondContact O-N 3.48Å; D130-H132 VanDerWaalsContact C-N 3.27Å; D130-H132 PolarHBondContact O-N 3.32Å; D130-R133 VanDerWaalsContact CB-NH2 3.35Å; D130-R133 PolarHBondContact O-N 3.43Å; D130-R133 IonicContact OD1-CZ 3.76Å; D130-R133 IonicContact OD1-NE 2.82Å; D130-R133 PolarHBondContact OD1-NE 2.94Å; D130-R133 IonicContact OD1-NH2 3.91Å; D130-R133 PolarHBondContact OD1-NH2 3.46Å; D130-R134 WeakPolarHBondContact O-CG 3.4Å; D130-R134 PolarHBondContact O-N 2.86Å; D130-R134 IonicContact OD2-CZ 3Å; D130-R134 IonicContact OD2-NE 3.22Å; D130-R134 PolarHBondContact OD2-NE 3.47Å; D130-R134 IonicContact OD2-NH2 2.64Å; D130-R134 PolarHBondContact OD2-NH2 2.94Å
131A94.9Very high90.4Very high52 Ų52107.2 Ų107.243%0.4353%0.528SS..Hα-helixtrans-59-41.6170.800000111.2R127 E128 R134 A135R127-A131 WeakPolarHBondContact O-CB 3.49Å; R127-A131 PolarHBondContact O-N 2.9Å; E128-A131 WeakPolarHBondContact O-CB 3.45Å; E128-A131 PolarHBondContact O-N 3.01Å; A131-R134 PolarHBondContact O-N 3.36Å; A131-A135 WeakPolarHBondContact O-CB 3.42Å; A131-A135 PolarHBondContact O-N 3.13Å
132H95.7Very high91.7Very high139 Ų139106.1 Ų106.164%0.64452%0.521SS*.Hα-helixtrans-65.9-38.7176.9-125.3-68.5000113E128 A129 D130 A135 K136E128-H132 PolarHBondContact O-N 2.91Å; A129-H132 PolarHBondContact O-N 2.81Å; D130-H132 VanDerWaalsContact C-N 3.27Å; D130-H132 PolarHBondContact O-N 3.32Å; H132-A135 PolarHBondContact O-N 3.12Å; H132-K136 PolarHBondContact O-N 2.89Å; H132-K136 VanDerWaalsContact O-N 3.08Å
133R97.2Very high93.1Very high126 Ų126106.1 Ų106.148%0.47551%0.514SS..Hα-helixtrans-60.8-51.5171.9-74.1-174.2-62.9-110.56.7111.1A129 D130 A135 K136 E137A129-R133 WeakPolarHBondContact O-CG 3.4Å; A129-R133 PolarHBondContact O-N 2.9Å; D130-R133 VanDerWaalsContact CB-NH2 3.35Å; D130-R133 PolarHBondContact O-N 3.43Å; D130-R133 IonicContact OD1-CZ 3.76Å; D130-R133 IonicContact OD1-NE 2.82Å; D130-R133 PolarHBondContact OD1-NE 2.94Å; D130-R133 IonicContact OD1-NH2 3.91Å; D130-R133 PolarHBondContact OD1-NH2 3.46Å; R133-A135 VanDerWaalsContact C-N 3.3Å; R133-A135 PolarHBondContact O-N 2.95Å; R133-K136 WeakPolarHBondContact O-CB 3.32Å; R133-K136 PolarHBondContact O-N 3.22Å; R133-K136 VanDerWaalsContact O-N 3.11Å; R133-E137 WeakPolarHBondContact O-CG 3.39Å; R133-E137 PolarHBondContact O-N 3.16Å
134R96.9Very high94.6Very high151 Ų151107.9 Ų107.957%0.5752%0.517SS*.Hα-helixtrans-60.3-37.9178.3-66.5175.2-165.3-169.43.3112.3D130 A131 E137 N138D130-R134 WeakPolarHBondContact O-CG 3.4Å; D130-R134 PolarHBondContact O-N 2.86Å; D130-R134 IonicContact OD2-CZ 3Å; D130-R134 IonicContact OD2-NE 3.22Å; D130-R134 PolarHBondContact OD2-NE 3.47Å; D130-R134 IonicContact OD2-NH2 2.64Å; D130-R134 PolarHBondContact OD2-NH2 2.94Å; A131-R134 PolarHBondContact O-N 3.36Å; R134-E137 PolarHBondContact O-N 3.12Å; R134-N138 WeakPolarHBondContact O-CB 3.26Å; R134-N138 PolarHBondContact O-N 3.48Å; R134-N138 PolarHBondContact O-ND2 3.22Å; R134-N138 VanDerWaalsContact O-ND2 3.11Å
135A96.5Very high95.2Very high56 Ų56109.2 Ų109.246%0.46352%0.519SS..Hα-helixtrans-62.6-43.9174.600000111.9A131 H132 R133 N138 L139A131-A135 WeakPolarHBondContact O-CB 3.42Å; A131-A135 PolarHBondContact O-N 3.13Å; H132-A135 PolarHBondContact O-N 3.12Å; R133-A135 VanDerWaalsContact C-N 3.3Å; R133-A135 PolarHBondContact O-N 2.95Å; A135-N138 PolarHBondContact O-N 3.5Å; A135-L139 PolarHBondContact O-N 3.4Å
136K97.7Very high95.6Very high141 Ų141108.3 Ų108.361%0.61351%0.511SS*.Hα-helixtrans-64.3-42.4176.8-171.1176.2-178.81780112.4H132 R133 L139 Q140H132-K136 PolarHBondContact O-N 2.89Å; H132-K136 VanDerWaalsContact O-N 3.08Å; R133-K136 WeakPolarHBondContact O-CB 3.32Å; R133-K136 PolarHBondContact O-N 3.22Å; R133-K136 VanDerWaalsContact O-N 3.11Å; K136-L139 PolarHBondContact O-N 2.95Å; K136-Q140 WeakPolarHBondContact O-CG 3.45Å; K136-Q140 PolarHBondContact O-N 3.07Å
137E97.6Very high96Very high121 Ų121104 Ų10457%0.56550%0.5SS*.Hα-helixtrans-64.6-40.5175.7-70.9178.4168.100112.7R133 R134 T141R133-E137 WeakPolarHBondContact O-CG 3.39Å; R133-E137 PolarHBondContact O-N 3.16Å; R134-E137 PolarHBondContact O-N 3.12Å; E137-T141 WeakPolarHBondContact O-CB 3.32Å; E137-T141 PolarHBondContact O-N 2.68Å; E137-T141 PolarHBondContact O-OG1 3.46Å
138N97.1Very high96.4Very high105 Ų105101 Ų10156%0.56150%0.495SS*.Hα-helixtrans-63.3-42.7174.1-79.8-38.1000111.7R134 A135 T141 M142R134-N138 WeakPolarHBondContact O-CB 3.26Å; R134-N138 PolarHBondContact O-N 3.48Å; R134-N138 PolarHBondContact O-ND2 3.22Å; R134-N138 VanDerWaalsContact O-ND2 3.11Å; A135-N138 PolarHBondContact O-N 3.5Å; N138-T141 WeakPolarHBondContact O-CB 3.43Å; N138-T141 PolarHBondContact O-N 2.97Å; N138-M142 WeakPolarHBondContact O-CG 3.29Å; N138-M142 PolarHBondContact O-N 3.23Å
139L97.2Very high96.7Very high90 Ų90102.8 Ų102.847%0.47150%0.497SS..Hα-helixtrans-61.1-50.7176.3-177.761000111.5A135 K136 T141 M142 E143A135-L139 PolarHBondContact O-N 3.4Å; K136-L139 PolarHBondContact O-N 2.95Å; L139-T141 PolarHBondContact O-N 3.25Å; L139-M142 HydrophobicContact CD1-CE 4.27Å; L139-M142 WeakPolarHBondContact O-CB 3.45Å; L139-M142 PolarHBondContact O-N 3.45Å; L139-E143 WeakPolarHBondContact O-CG 3.31Å; L139-E143 PolarHBondContact O-N 3.17Å
140Q97.6Very high96.8Very high79 Ų79102.8 Ų102.837%0.36950%0.497SS..Hα-helixtrans-58-36.7175.1-72.2-172.54.800112.4K136 E143 R144K136-Q140 WeakPolarHBondContact O-CG 3.45Å; K136-Q140 PolarHBondContact O-N 3.07Å; Q140-E143 PolarHBondContact O-N 3.29Å; Q140-R144 VanDerWaalsContact O-CG 3.28Å; Q140-R144 WeakPolarHBondContact O-CG 3.28Å; Q140-R144 PolarHBondContact O-N 3.34Å
141T97Very high96.9Very high71 Ų71104.2 Ų104.244%0.43651%0.505SS..Hα-helixtrans-66-40.7176.6-60.80000111.5E137 N138 L139 M145E137-T141 WeakPolarHBondContact O-CB 3.32Å; E137-T141 PolarHBondContact O-N 2.68Å; E137-T141 PolarHBondContact O-OG1 3.46Å; N138-T141 WeakPolarHBondContact O-CB 3.43Å; N138-T141 PolarHBondContact O-N 2.97Å; L139-T141 PolarHBondContact O-N 3.25Å; T141-M145 WeakPolarHBondContact O-CB 3.5Å; T141-M145 WeakPolarHBondContact O-CG 3.46Å; T141-M145 PolarHBondContact O-N 3.44Å
142M94.1Very high97Very high119 Ų119106 Ų10659%0.58651%0.506SS*.Hα-helixtrans-65.4-38.2173.8-69.7-159.4-65.300112.6N138 L139 M145 R146N138-M142 WeakPolarHBondContact O-CG 3.29Å; N138-M142 PolarHBondContact O-N 3.23Å; L139-M142 HydrophobicContact CD1-CE 4.27Å; L139-M142 WeakPolarHBondContact O-CB 3.45Å; L139-M142 PolarHBondContact O-N 3.45Å; M142-M145 CarbonylContact O-C 3.53Å; M142-M145 PolarHBondContact O-N 3.48Å; M142-R146 PolarHBondContact O-N 3.09Å
143E97.7Very high97.1Very high95 Ų95105.6 Ų105.644%0.44450%0.504SS..Hα-helixtrans-65.1-46.6176.1-70.7174.1156.800112L139 Q140 M145 R146 A147L139-E143 WeakPolarHBondContact O-CG 3.31Å; L139-E143 PolarHBondContact O-N 3.17Å; Q140-E143 PolarHBondContact O-N 3.29Å; E143-M145 PolarHBondContact O-N 2.83Å; E143-R146 WeakPolarHBondContact O-CA 3.48Å; E143-R146 WeakPolarHBondContact O-CB 3.4Å; E143-R146 PolarHBondContact O-N 3.14Å; E143-A147 PolarHBondContact O-N 3.22Å
144R97.5Very high97.1Very high166 Ų166107 Ų10763%0.62651%0.509SS*.Hα-helixtrans-56.1-40.5172.1-68.8171.9-163175.99111.5Q140 R146 A147 L148Q140-R144 VanDerWaalsContact O-CG 3.28Å; Q140-R144 WeakPolarHBondContact O-CG 3.28Å; Q140-R144 PolarHBondContact O-N 3.34Å; R144-R146 VanDerWaalsContact C-N 3.33Å; R144-R146 PolarHBondContact O-N 3.03Å; R144-A147 PolarHBondContact O-N 2.91Å; R144-L148 WeakPolarHBondContact O-CB 3.37Å; R144-L148 PolarHBondContact O-N 3.42Å
145M96.4Very high97.1Very high98 Ų98104.5 Ų104.548%0.48351%0.51SS..Hα-helixtrans-72.2-20.4175.4-73.2-64.9-66.200114.2T141 M142 E143 L148 R149T141-M145 WeakPolarHBondContact O-CB 3.5Å; T141-M145 WeakPolarHBondContact O-CG 3.46Å; T141-M145 PolarHBondContact O-N 3.44Å; M142-M145 CarbonylContact O-C 3.53Å; M142-M145 PolarHBondContact O-N 3.48Å; E143-M145 PolarHBondContact O-N 2.83Å; M145-L148 HydrophobicContact SD-CD2 4.44Å; M145-R149 WeakPolarHBondContact O-CG 3.47Å; M145-R149 PolarHBondContact O-NE 3.01Å
146R96.8Very high97.1Very high166 Ų166109.4 Ų109.463%0.62652%0.517SS*.Hα-helixtrans-79-47.2171.3-170.1-175.4-75.2132.9-8.5110.1M142 E143 R144 L148 R149 A150M142-R146 PolarHBondContact O-N 3.09Å; E143-R146 WeakPolarHBondContact O-CA 3.48Å; E143-R146 WeakPolarHBondContact O-CB 3.4Å; E143-R146 PolarHBondContact O-N 3.14Å; R144-R146 VanDerWaalsContact C-N 3.33Å; R144-R146 PolarHBondContact O-N 3.03Å; R146-L148 PolarHBondContact O-N 3.01Å; R146-R149 PolarHBondContact O-N 3.16Å; R146-R149 VanDerWaalsContact O-N 3.16Å; R146-A150 PolarHBondContact O-N 3.45Å; R146-A150 VanDerWaalsContact O-N 3.12Å
147A97.1Very high97Very high53 Ų53108.1 Ų108.144%0.43851%0.512SS..Hα-helixtrans-58-47.7175.500000112.3E143 R144 R149 A150 D151E143-A147 PolarHBondContact O-N 3.22Å; R144-A147 PolarHBondContact O-N 2.91Å; A147-R149 PolarHBondContact O-N 2.9Å; A147-A150 PolarHBondContact O-N 2.88Å; A147-A150 VanDerWaalsContact O-N 3.13Å; A147-D151 PolarHBondContact O-N 2.77Å
148L98.1Very high96.9Very high96 Ų96107 Ų10750%0.50351%0.509SS..Hα-helixtrans-58.7-34.2177.2-169.878000112.9R144 M145 R146 M152R144-L148 WeakPolarHBondContact O-CB 3.37Å; R144-L148 PolarHBondContact O-N 3.42Å; M145-L148 HydrophobicContact SD-CD2 4.44Å; R146-L148 PolarHBondContact O-N 3.01Å; L148-M152 WeakPolarHBondContact O-CG 3.01Å; L148-M152 PolarHBondContact O-N 3.15Å; L148-M152 VanDerWaalsContact O-N 3.12Å
149R97.7Very high96.7Very high150 Ų150109.9 Ų109.957%0.56652%0.516SS*.Hα-helixtrans-69.8-45.4176.2-82.9-179.1-82-173.7-1.8111.4M145 R146 A147 D151 M152 E153M145-R149 WeakPolarHBondContact O-CG 3.47Å; M145-R149 PolarHBondContact O-NE 3.01Å; R146-R149 PolarHBondContact O-N 3.16Å; R146-R149 VanDerWaalsContact O-N 3.16Å; A147-R149 PolarHBondContact O-N 2.9Å; R149-D151 VanDerWaalsContact C-N 3.32Å; R149-D151 PolarHBondContact O-N 3.02Å; R149-M152 HydrophobicContact CG-CE 4.28Å; R149-M152 PolarHBondContact O-N 2.88Å; R149-E153 PolarHBondContact O-N 2.88Å
150A96.8Very high96.5Very high41 Ų41112.3 Ų112.334%0.33953%0.525SS..Hα-helixtrans-59.8-40.2174.700000112.1R146 A147 E153 R154R146-A150 PolarHBondContact O-N 3.45Å; R146-A150 VanDerWaalsContact O-N 3.12Å; A147-A150 PolarHBondContact O-N 2.88Å; A147-A150 VanDerWaalsContact O-N 3.13Å; A150-E153 WeakPolarHBondContact O-CB 3.42Å; A150-E153 PolarHBondContact O-N 3.23Å; A150-R154 WeakPolarHBondContact O-CG 3.39Å; A150-R154 PolarHBondContact O-N 2.96Å
151D97.8Very high96.2Very high73 Ų73114.5 Ų114.539%0.3954%0.536SS..Hα-helixtrans-64.8-43.5175.6-77.9-17.3000113.2A147 R149 E153 R154 V155A147-D151 PolarHBondContact O-N 2.77Å; R149-D151 VanDerWaalsContact C-N 3.32Å; R149-D151 PolarHBondContact O-N 3.02Å; D151-E153 PolarHBondContact O-N 3.05Å; D151-R154 PolarHBondContact O-N 2.98Å; D151-R154 IonicContact OD1-CZ 3.91Å; D151-R154 IonicContact OD1-NE 2.68Å; D151-R154 PolarHBondContact OD1-NE 2.96Å; D151-R154 IonicContact OD1-NH2 3.43Å; D151-R154 PolarHBondContact OD1-NH2 3.43Å; D151-V155 WeakPolarHBondContact O-CG2 3.21Å; D151-V155 PolarHBondContact O-N 3.43Å
152M97.3Very high95.7Very high91 Ų91121.4 Ų121.445%0.44855%0.554SS.*Hα-helixtrans-61.6-33.2174.1-75-165.9-63.500112.3L148 R149 R156L148-M152 WeakPolarHBondContact O-CG 3.01Å; L148-M152 PolarHBondContact O-N 3.15Å; L148-M152 VanDerWaalsContact O-N 3.12Å; R149-M152 HydrophobicContact CG-CE 4.28Å; R149-M152 PolarHBondContact O-N 2.88Å; M152-R156 VanDerWaalsContact O-CG 3.31Å; M152-R156 WeakPolarHBondContact O-CG 3.36Å; M152-R156 PolarHBondContact O-N 2.94Å; M152-R156 VanDerWaalsContact O-N 3.07Å
153E97.7Very high95Very high129 Ų129125.5 Ų125.560%0.60356%0.563SS**Hα-helixtrans-71.7-45.9176.7-170.4146.3-127.500111.9R149 A150 D151 V155 R156 F157R149-E153 PolarHBondContact O-N 2.88Å; A150-E153 WeakPolarHBondContact O-CB 3.42Å; A150-E153 PolarHBondContact O-N 3.23Å; D151-E153 PolarHBondContact O-N 3.05Å; E153-V155 VanDerWaalsContact C-N 3.3Å; E153-V155 PolarHBondContact O-N 2.89Å; E153-R156 WeakPolarHBondContact O-CB 3.17Å; E153-R156 PolarHBondContact O-N 3.36Å; E153-F157 PolarHBondContact O-N 3.39Å
154R97.2Very high94Very high157 Ų157125.7 Ų125.759%0.59257%0.572SS**Hα-helixtrans-54-44.9170.1-72.5-169.4-85.3-138.35.6111.9A150 D151 R156 F157 L158A150-R154 WeakPolarHBondContact O-CG 3.39Å; A150-R154 PolarHBondContact O-N 2.96Å; D151-R154 PolarHBondContact O-N 2.98Å; D151-R154 IonicContact OD1-CZ 3.91Å; D151-R154 IonicContact OD1-NE 2.68Å; D151-R154 PolarHBondContact OD1-NE 2.96Å; D151-R154 IonicContact OD1-NH2 3.43Å; D151-R154 PolarHBondContact OD1-NH2 3.43Å; R154-R156 PolarHBondContact O-N 3.18Å; R154-F157 PolarHBondContact O-N 3.45Å; R154-L158 WeakPolarHBondContact O-CG 3.35Å; R154-L158 PolarHBondContact O-N 3.33Å
155V96.6Very high92.7Very high98 Ų98126.2 Ų126.259%0.59458%0.581SS**Hα-helixtrans-65.1-34.9176.7170.90000112.4D151 E153 K159D151-V155 WeakPolarHBondContact O-CG2 3.21Å; D151-V155 PolarHBondContact O-N 3.43Å; E153-V155 VanDerWaalsContact C-N 3.3Å; E153-V155 PolarHBondContact O-N 2.89Å; V155-K159 WeakPolarHBondContact O-CB 3.47Å; V155-K159 PolarHBondContact O-N 3.29Å; V155-K159 VanDerWaalsContact O-N 3.09Å
156R96.3Very high91.4Very high158 Ų158127.5 Ų127.560%0.59659%0.589SS**Hα-helixtrans-66.8-44.6173.5-73.8170.1-170.7173.33.6111.5M152 E153 R154 K159 Q160M152-R156 VanDerWaalsContact O-CG 3.31Å; M152-R156 WeakPolarHBondContact O-CG 3.36Å; M152-R156 PolarHBondContact O-N 2.94Å; M152-R156 VanDerWaalsContact O-N 3.07Å; E153-R156 WeakPolarHBondContact O-CB 3.17Å; E153-R156 PolarHBondContact O-N 3.36Å; R154-R156 PolarHBondContact O-N 3.18Å; R156-K159 WeakPolarHBondContact O-CB 3.15Å; R156-K159 PolarHBondContact O-N 3.47Å; R156-K159 VanDerWaalsContact O-N 3.17Å; R156-Q160 WeakPolarHBondContact O-CG 3.46Å; R156-Q160 PolarHBondContact O-N 3.42Å
157F95.1Very high90Very high115 Ų115124.6 Ų124.650%0.50459%0.59SS.*Hα-helixtrans-61.9-48.4179.1-173.4-105.1000111.7E153 R154 K159 Q160 Q161E153-F157 PolarHBondContact O-N 3.39Å; R154-F157 PolarHBondContact O-N 3.45Å; F157-K159 PolarHBondContact O-N 3.37Å; F157-Q160 WeakPolarHBondContact O-CB 3.32Å; F157-Q160 PolarHBondContact O-N 3.34Å; F157-Q161 HydrophobicContact CE1-CG 4.29Å; F157-Q161 PolarHBondContact O-N 3.47Å
158L94.8Very high88.4Confident96 Ų96130.7 Ų130.750%0.50361%0.607SS.*Hα-helixtrans-59-34.7173.5-70.5172.1000112.6R154 R162R154-L158 WeakPolarHBondContact O-CG 3.35Å; R154-L158 PolarHBondContact O-N 3.33Å; L158-R162 WeakPolarHBondContact O-CB 3.31Å; L158-R162 WeakPolarHBondContact O-CG 3.39Å; L158-R162 PolarHBondContact O-N 3.46Å
159K94.3Very high86.8Confident166 Ų166137 Ų13772%0.72262%0.624SS**Hα-helixtrans-72.2-31.3175.4-170.8-179.5178.1-171.80112.9V155 R156 F157 R163V155-K159 WeakPolarHBondContact O-CB 3.47Å; V155-K159 PolarHBondContact O-N 3.29Å; V155-K159 VanDerWaalsContact O-N 3.09Å; R156-K159 WeakPolarHBondContact O-CB 3.15Å; R156-K159 PolarHBondContact O-N 3.47Å; R156-K159 VanDerWaalsContact O-N 3.17Å; F157-K159 PolarHBondContact O-N 3.37Å; K159-R163 PolarHBondContact O-N 3.38Å
160Q92.1Very high85.3Confident141 Ų141138.9 Ų138.966%0.65963%0.631SS**Hα-helixtrans-70.2-45.6173.1-74.5173.3-20.700111R156 F157 R162 R163R156-Q160 WeakPolarHBondContact O-CG 3.46Å; R156-Q160 PolarHBondContact O-N 3.42Å; F157-Q160 WeakPolarHBondContact O-CB 3.32Å; F157-Q160 PolarHBondContact O-N 3.34Å; Q160-R162 VanDerWaalsContact C-N 3.3Å; Q160-R162 PolarHBondContact O-N 3.43Å; Q160-R163 VanDerWaalsContact O-CB 3.26Å; Q160-R163 WeakPolarHBondContact O-CB 3.31Å; Q160-R163 PolarHBondContact O-N 2.89Å
161Q91.3Very high83.4Confident126 Ų126145.6 Ų145.659%0.58966%0.655SS**Hα-helixtrans-61-36.3174.9-71.1-172.5-23.900112.9F157 R163F157-Q161 HydrophobicContact CE1-CG 4.29Å; F157-Q161 PolarHBondContact O-N 3.47Å; Q161-R163 PolarHBondContact O-N 2.89Å
162R87.4Confident81.5Confident216 Ų216147 Ų14782%0.81568%0.677SS**THydrogen-bonded Turntrans-78.14.5175-73.1-172.7179.2-154.2-0.1114.8L158 Q160 P164L158-R162 WeakPolarHBondContact O-CB 3.31Å; L158-R162 WeakPolarHBondContact O-CG 3.39Å; L158-R162 PolarHBondContact O-N 3.46Å; Q160-R162 VanDerWaalsContact C-N 3.3Å; Q160-R162 PolarHBondContact O-N 3.43Å; R162-P164 VanDerWaalsContact O-CD 3.24Å; R162-P164 WeakPolarHBondContact O-CD 3.28Å
163R79.9Confident79.7Confident205 Ų205151.4 Ų151.477%0.77470%0.697SS**SBendtrans-71.8110.6170-162.9176.3-168.2-177.71.3106.4K159 Q160 Q161 Q165K159-R163 PolarHBondContact O-N 3.38Å; Q160-R163 VanDerWaalsContact O-CB 3.26Å; Q160-R163 WeakPolarHBondContact O-CB 3.31Å; Q160-R163 PolarHBondContact O-N 2.89Å; Q161-R163 PolarHBondContact O-N 2.89Å; R163-Q165 PolarHBondContact O-N 3.09Å
164P74.9Confident77.7Confident98 Ų98148.7 Ų148.764%0.63670%0.703SS**  trans-58.3132.3-176.424.5-33.2000108.2R162 I166R162-P164 VanDerWaalsContact O-CD 3.24Å; R162-P164 WeakPolarHBondContact O-CD 3.28Å; P164-I166 HydrophobicContact CG-CG1 4.38Å; P164-I166 PolarHBondContact O-N 3.39Å
165Q71.4Confident76Confident177 Ų177152.2 Ų152.283%0.82772%0.718SS**  trans-65.193162.4-69-15826.900106.5R163 V167R163-Q165 PolarHBondContact O-N 3.09Å; Q165-V167 HydrophobicContact CB-CG2 4.15Å; Q165-V167 PolarHBondContact O-N 3.3Å
166I69.7Low74.1Confident126 Ų126154.6 Ų154.665%0.64673%0.726SS**  trans-69.879.8160.7-58.3176.2000104.3P164 F168P164-I166 HydrophobicContact CG-CG1 4.38Å; P164-I166 PolarHBondContact O-N 3.39Å; I166-F168 VanDerWaalsContact C-N 3.35Å; I166-F168 HydrophobicContact CG2-CE2 4.45Å; I166-F168 PolarHBondContact O-N 3.28Å
167V66.2Low71.9Confident105 Ų105156 Ų15664%0.63674%0.739SS**  trans-59106.8166177.70000104.4Q165 R169Q165-V167 HydrophobicContact CB-CG2 4.15Å; Q165-V167 PolarHBondContact O-N 3.3Å; V167-R169 PolarHBondContact O-N 3.02Å
168F64.3Low70Confident181 Ų181155.9 Ų155.979%0.79475%0.753SS**  trans-65.185.6165.9-82-86.6000106.9I166 R170I166-F168 VanDerWaalsContact C-N 3.35Å; I166-F168 HydrophobicContact CG2-CE2 4.45Å; I166-F168 PolarHBondContact O-N 3.28Å; F168-R170 PolarHBondContact O-N 2.84Å
169R63.7Low67.9Low228 Ų228156.4 Ų156.486%0.8677%0.765SS**  trans-71.267.8168.7-165.9-178.5-171.8-164.6-0.3107.4V167 E171V167-R169 PolarHBondContact O-N 3.02Å; R169-E171 VanDerWaalsContact C-N 3.27Å; R169-E171 PolarHBondContact O-N 3.05Å
170R65.9Low66.1Low190 Ų190156.7 Ų156.772%0.71777%0.768SS**  trans-70.888.8176.1-175.4-175.4-76.8175-2.7107.3F168 A172F168-R170 PolarHBondContact O-N 2.84Å; R170-A172 PolarHBondContact O-N 2.93Å
171E57.1Low64Low181 Ų181155.7 Ų155.785%0.84677%0.767SS**  trans35.180.2144.6-66.4165.4172.300114.8R169R169-E171 VanDerWaalsContact C-N 3.27Å; R169-E171 PolarHBondContact O-N 3.05Å
172A57.6Low62.2Low104 Ų104156.5 Ų156.586%0.8678%0.776SS**  trans-103.354.5164.700000109.8R170R170-A172 PolarHBondContact O-N 2.93Å
173E59.4Low60.6Low183 Ų183153.1 Ų153.186%0.85577%0.774SS**  trans-130.894.7176.6-72.3-177.5-174.200108.5
174G57.2Low59.3Low72 Ų72151.9 Ų151.974%0.74278%0.777SS**  trans157.649.2178.300000118.8
175Y60.1Low58Low230 Ų230152.3 Ų152.390%0.90278%0.779SS**  trans-153.4110.5144.4-140-99.9000111.2
176I57Low57.1Low149 Ų149149.4 Ų149.476%0.76478%0.779SS**  trans-87.9148.2178.5-69.7175.1000109.4
177Q50Low55.8Low186 Ų186151 Ų15187%0.86979%0.788SS**  trans-55.3138.1178.9-64.4147.8-61.500113.3
178S56.1Low54.7Low113 Ų113157.9 Ų157.979%0.7980%0.802SS**  trans-143.8113.7148.6620000109.4
179S50.2Low53.8Low108 Ų108155 Ų15576%0.75581%0.805SS**  trans-73.1140175.348.20000112.6
180H56.7Low53Low172 Ų172153.6 Ų153.680%0.79681%0.805SS**  -162.3157.6124-131.8-74.2000111.8
181D48.6Very low51.9Low119 Ų119154.2 Ų154.264%0.63681%0.813SS**  trans-82.2177.6-164-52.9-93.7000117.1
182D52.2Low51.3Low144 Ų144152.9 Ų152.977%0.7781%0.811SS**  trans96.7123.7148.9-59-40.3000122.6
183D55.5Low50.5Low144 Ų144153.1 Ų153.177%0.7781%0.806SS**  trans7094145.8-71.6-30.7000124.4
184Q51Low49.6Very low180 Ų180149.2 Ų149.284%0.84180%0.795SS**  70.7164.9115.4-105.6-147.322.200120.1
185P48.3Very low49.1Very low106 Ų106150.7 Ų150.769%0.68879%0.793SS**  -122.4148.6-116.438.2-22.2000114.5
186S51.7Low48.2Very low116 Ų116146.4 Ų146.481%0.81179%0.786SS**  trans-145.3113.2167.4-162.80000114.2
187L43.8Very low48Very low160 Ų160145.5 Ų145.584%0.83879%0.787SS**  trans1.1142.9146.3-66161000119.4
188R42.6Very low48.1Very low249 Ų249144.8 Ų144.894%0.9478%0.784SS**  trans90.598.6163.8-56.7176170179.4-3.2117.3
189S44.8Very low48Very low121 Ų121145.8 Ų145.885%0.84678%0.781SS**  -153135.8123.8-168.30000110.1
190F47.9Very low48Very low198 Ų198146 Ų14687%0.86878%0.778SS**  trans-80.2155.2178.3-96.1-106.8000111.4L192F190-L192 PolarHBondContact O-N 2.83Å; F190-L192 VanDerWaalsContact O-N 3.13Å
191F42.6Very low48.4Very low203 Ų203142.3 Ų142.389%0.8977%0.771SS**  trans-56.1112.3175.3-76.1-103.5000112.3
192L43.4Very low49Very low154 Ų154141.3 Ų141.381%0.80678%0.779SS**  trans-124.492.3158.4-85170.4000108.3F190 T194F190-L192 PolarHBondContact O-N 2.83Å; F190-L192 VanDerWaalsContact O-N 3.13Å; L192-T194 VanDerWaalsContact C-N 3.33Å; L192-T194 PolarHBondContact O-N 3.18Å
193S42.2Very low48.9Very low108 Ų108144.2 Ų144.276%0.75579%0.785SS**  trans-80.881.4175.5-164.50000109.5C195S193-C195 PolarHBondContact O-N 2.94Å
194T40Very low49.1Very low101 Ų101146 Ų14662%0.6279%0.789SS**  trans-88.191.4172.252.20000109.6L192 N196L192-T194 VanDerWaalsContact C-N 3.33Å; L192-T194 PolarHBondContact O-N 3.18Å; T194-N196 PolarHBondContact O-N 3.31Å
195C46Very low49.1Very low104 Ų104143 Ų14370%0.70379%0.788SS**  trans-72.174.3171.2-64.20000111.1S193 T197S193-C195 PolarHBondContact O-N 2.94Å; C195-T197 VanDerWaalsContact C-N 3.33Å; C195-T197 PolarHBondContact O-N 3.04Å
196N42.4Very low49.5Very low139 Ų139144.3 Ų144.374%0.74380%0.8SS**  trans-75.284.4168-72.9-9.3000109.4T194 E198T194-N196 PolarHBondContact O-N 3.31Å; N196-E198 PolarHBondContact O-N 3.45Å
197T53.1Low49.6Very low130 Ų130143.5 Ų143.580%0.79880%0.799SS**  trans-84.6102.2162.4510000108.7C195 D199C195-T197 VanDerWaalsContact C-N 3.33Å; C195-T197 PolarHBondContact O-N 3.04Å; T197-D199 PolarHBondContact O-N 3.07Å
198E52.2Low50Low172 Ų172139.2 Ų139.280%0.80479%0.794SS**  trans-64.6104.9178.7-64.4171.6114.500110.6N196 T200N196-E198 PolarHBondContact O-N 3.45Å; E198-T200 PolarHBondContact O-N 3.09Å
199D54Low50.7Low134 Ų134136.4 Ų136.472%0.71779%0.792SS**  trans-70.991.1176.1-175.75.2000110.6T197 S201T197-D199 PolarHBondContact O-N 3.07Å; D199-S201 PolarHBondContact O-N 3.34Å; D199-S201 WeakPolarHBondContact OD1-CB 3.39Å; D199-S201 PolarHBondContact OD1-N 2.95Å; D199-S201 VanDerWaalsContact OD1-N 3.17Å; D199-S201 PolarHBondContact OD1-OG 2.98Å
200T50Low51.2Low112 Ų112135.9 Ų135.969%0.68778%0.784SS**  trans-8645.617456.40000112.5E198 A202E198-T200 PolarHBondContact O-N 3.09Å; T200-A202 PolarHBondContact O-N 2.82Å
201S65.2Low51.2Low95 Ų95134.3 Ų134.366%0.66478%0.779SS**  trans-75.2110173.4-70.20000111.6D199 K203D199-S201 PolarHBondContact O-N 3.34Å; D199-S201 WeakPolarHBondContact OD1-CB 3.39Å; D199-S201 PolarHBondContact OD1-N 2.95Å; D199-S201 VanDerWaalsContact OD1-N 3.17Å; D199-S201 PolarHBondContact OD1-OG 2.98Å; S201-K203 PolarHBondContact O-N 3.32Å
202A59.4Low51.7Low98 Ų98131.4 Ų131.481%0.8177%0.772SS**  trans-65.1130.5-16800000114.7T200 E204T200-A202 PolarHBondContact O-N 2.82Å; A202-E204 PolarHBondContact O-N 2.81Å
203K50.5Low52Low205 Ų205132.2 Ų132.289%0.89177%0.772SS**  trans-70104.9177.5-179.7-178.8-172.6172.10112.5S201S201-K203 PolarHBondContact O-N 3.32Å
204E61Low52.4Low182 Ų182135.4 Ų135.485%0.8577%0.774SS**  trans-123.389166.1-69.4-161.7171.100113A202A202-E204 PolarHBondContact O-N 2.81Å
205S49.7Very low52.4Low117 Ų117135.4 Ų135.482%0.81878%0.777SS**  trans55.185.2136.3-540000119.6
206S57.5Low52.4Low133 Ų133138.6 Ų138.693%0.9379%0.785SS**  trans-119.3103.9142.9-167.70000108.3
207A53.1Low52.4Low98 Ų98140.5 Ų140.581%0.8179%0.79SS**  trans-118.2131-176.300000110.4
208G53.6Low52Low71 Ų71140.3 Ų140.373%0.73279%0.788SS**  trans89.9138.7164.400000116.3
209E56Low51.2Low190 Ų190138.3 Ų138.389%0.88879%0.788SS**  cis-147.6153.9-4.5-67-173.6124.700111.1
210T54.9Low50.6Low109 Ų109138.2 Ų138.267%0.66979%0.793SS**  trans-28.8158154.749.90000116.4
211E48.7Very low50.1Low166 Ų166142.3 Ų142.378%0.77680%0.801SS**  cis-167.7-179.3-1.1-115.3165.5-156.900110.1
212L52.4Low48.8Very low141 Ų141143.2 Ų143.274%0.73881%0.807SS**  trans77.3104.5163.3-101.776000120.7
213E50.6Low48.1Very low171 Ų171143.1 Ų143.180%0.79980%0.801SS**  28.2145.6110.5-66.4176.916700120
214E50.6Low48Very low175 Ų175140.4 Ų140.482%0.81880%0.795SS**  cis-154.1174.38.7-124.2-150.1121.800110
215P40.5Very low47Very low102 Ų102138.6 Ų138.666%0.66279%0.786SS**  trans-97.4156.5-168.938.3-35.3000115.3
216L45.8Very low46.9Very low170 Ų170141.2 Ų141.289%0.8979%0.785SS**  trans-137.7126154.3-83.1-179.8000112.5
217Q41.5Very low46.5Very low179 Ų179140 Ų14084%0.83678%0.777SS**  trans-88.8139.9160-56.6174.31200108.3
218V44Very low46Very low126 Ų126142 Ų14276%0.76477%0.774SS**  trans-138.6116.3154.8-179.50000109.4
219T35.9Very low45.7Very low130 Ų130145.9 Ų145.980%0.79878%0.778SS**  trans-92.2144160.240.60000109.1
220T41.5Very low45.2Very low133 Ų133141.5 Ų141.582%0.81677%0.774SS**  trans-141.1134.7159.233.40000110.6
221K39.8Very low44.9Very low198 Ų198140.8 Ų140.886%0.86178%0.779SS**  trans-101.8178173.8-76179170-179.50109.9
222S38.3Very low45Very low114 Ų114137.5 Ų137.580%0.79778%0.781SS**  trans72.7148.8160.972.70000115.1
223S45.1Very low44.9Very low96 Ų96136.8 Ų136.867%0.67178%0.778SS**  cis-147.2153.313.7-38.10000109.3
224L46.8Very low45Very low148 Ų148136.5 Ų136.578%0.77578%0.777SS**  58129.891-157.195.7000113.4
225E41.4Very low44.9Very low143 Ų143133.5 Ų133.567%0.66878%0.775SS**  cis-167.3-171.3-12.5-100.5177.2162.100106.4
226H46.7Very low45.4Very low172 Ų172134 Ų13480%0.79678%0.778SS**  trans74.6142.8167.7-63.657.9000115.3
227S49.3Very low45.5Very low108 Ų108131.2 Ų131.276%0.75577%0.773SS**  cis-160.2168.6-1.141.50000111.2
228D43.1Very low46.1Very low140 Ų140127.9 Ų127.975%0.74977%0.769SS**  trans-73.9176.8-170.8-50.2-85.7000117.5
229N47.8Very low46.1Very low152 Ų152128.3 Ų128.381%0.81377%0.767SS**  trans103.796.7152.2-57.4-50.5000119.7
230A45.6Very low47Very low98 Ų98130.7 Ų130.781%0.8177%0.774SS**  20.6130.3126.800000120.7
231A47.8Very low47.3Very low94 Ų94133.7 Ų133.778%0.77778%0.776SS**  166.1132.9100.500000112.8
232A51Low48.1Very low97 Ų97129.9 Ų129.980%0.80277%0.774SS**  trans56.7166.5156.700000117.5
233D49.9Very low48.5Very low126 Ų126129.6 Ų129.667%0.67477%0.773SS**  cis-155.4170-3.9-151.8-6.1000110.1
234Q52.8Low49.3Very low166 Ų166130.8 Ų130.878%0.77678%0.779SS**  trans65.3109.5153.6-70.8161.158.300121.9
235S48.3Very low49.2Very low111 Ų111128.6 Ų128.678%0.77678%0.777SS**  trans-70.3-165.1151.8-390000111.5
236P52Low49.3Very low112 Ų112129.2 Ų129.273%0.72779%0.785SS**  cis-142.2-170.4-4.742-22.3000116.4
237S47.4Very low49.5Very low113 Ų113126.1 Ų126.179%0.7979%0.788SS**  trans74.4152.1156.178.80000117.9
238S53Low49.5Very low109 Ų109129.7 Ų129.776%0.76279%0.793SS**  cis-153166.413.850.10000113.2
239D43.8Very low50.1Low135 Ų135132.7 Ų132.772%0.72280%0.803SS**  trans-75.8158.9-172.7-47.5-91000116.7
240L55.9Low50Low179 Ų179134.5 Ų134.594%0.93781%0.807SS**  trans-145.2114.7151.8-82.7-177.6000112
241F48.3Very low50.5Low196 Ų196136 Ų13686%0.8681%0.811SS**  trans-79154.3166-86.5-106.7000111.3
242S55.3Low50.4Low118 Ų118136.9 Ų136.983%0.82581%0.811SS**  trans-154116.6152.8-166.10000111
243S48.1Very low50.5Low109 Ų109139.2 Ų139.276%0.76282%0.815SS**  trans-128.2141.4172-176.40000108.3
244C60.8Low50.2Low120 Ų120138.9 Ų138.981%0.81182%0.818SS**  trans-137.4128.7176.3-65.30000110.1
245S46Very low49.7Very low103 Ų103137.4 Ų137.472%0.7282%0.824SS**  trans-98166.4-175.1-51.60000114
246D42.5Very low49.2Very low156 Ų156137.2 Ų137.283%0.83482%0.823SS**  trans4.2142.6152-51.9-54.3000121.9
247A51.1Low49.1Very low106 Ų106137.6 Ų137.688%0.87683%0.828SS**  trans-154.211814600000110.3
248E49.7Very low49Very low183 Ų183140.9 Ų140.986%0.85583%0.831SS**  trans-86.9158.5171.5-57.2-174120.200111.3
249Q55.1Low48.9Very low203 Ų203144 Ų14495%0.94984%0.838SS**  trans-159131.2151.7-121.8171.434.400113.2
250E45.1Very low48.7Very low191 Ų191144.2 Ų144.289%0.89384%0.839SS**  trans-93.2155-178.8-50.3173.6113.900111.4
251S56.5Low48.3Very low130 Ų130140.8 Ų140.891%0.90983%0.828SS**  trans-158.3130.9151.360.20000112.4
252S45.6Very low48Very low111 Ų111135.9 Ų135.978%0.77682%0.818SS**  trans-104.9145.2-179.456.10000112.1
253V54.2Low47.8Very low146 Ų146136.4 Ų136.489%0.88582%0.816SS**  trans-147.3133.1149.3178.30000109.2
254V42.6Very low47.7Very low120 Ų120137.6 Ų137.673%0.72782%0.818SS**  trans-103.7145.6175.9175.10000109.6
255C42.9Very low46.9Very low134 Ų134136.3 Ų136.391%0.90581%0.81SS**  trans-154.6120.1155.7-1260000110.6
256S37.4Very low47.1Very low108 Ų108138.6 Ų138.676%0.75581%0.814SS**  trans-107.5147.6178.8-570000110.7
257S50.2Low47.3Very low120 Ų120139.9 Ų139.984%0.83982%0.815SS**  trans-158.8123.6156.253.30000109.4
258E44.6Very low46.9Very low182 Ų182142.5 Ų142.585%0.8581%0.81SS**  trans-76.2167.3-174.9-60.3142.7109.400112.8
259L51.3Low46.9Very low175 Ų175141.7 Ų141.792%0.91681%0.811SS**  trans-179.5108.8137.1-97.9167.5000110.1
260D39.7Very low46.4Very low139 Ų139137.7 Ų137.774%0.74380%0.795SS**  trans-87.4164.3161.6-132.7-38.6000108.3
261P48.1Very low46.6Very low107 Ų107139.5 Ų139.570%0.69580%0.795SS**  -160.9143.372.642.4-19.8000119.4
262S40.7Very low46Very low92 Ų92142.4 Ų142.464%0.64379%0.792SS**  76.2150.4120.980.20000125.1
263V51.2Low45.8Very low130 Ų130144.1 Ų144.179%0.78879%0.791SS**  trans63.6118.2155.7-157.60000119.5
264V45.5Very low45.2Very low134 Ų134142.2 Ų142.281%0.81278%0.781SS**  -170.8132.5102.1164.90000108.3
265S45.3Very low45.1Very low92 Ų92143.1 Ų143.164%0.64378%0.782SS**  trans-101.9-173.4176.8-64.30000111.7
266D49.9Very low45.1Very low151 Ų151144.6 Ų144.681%0.80778%0.776SS**  trans80.9146.3163.4-39.9-33.5000114.7
267Q45.5Very low45.7Very low183 Ų183147.6 Ų147.686%0.85578%0.782SS**  cis-147.8159.26.6-157.5157.1-4.100111.8
268E44Very low45.1Very low161 Ų161149 Ų14975%0.75278%0.78SS**  trans-74.3156.7174.8-56.4170.2116.100112.1
269D49.2Very low45.1Very low166 Ų166146.3 Ų146.389%0.88878%0.78SS**  trans-145.8126.2151.5-113.2-32000111.1
270I44.3Very low44.4Very low119 Ų119143.8 Ų143.861%0.6178%0.776SS**  trans-103.6137-174.3-66.8165.8000108.2
271Y50.5Low45.2Very low230 Ų230143.6 Ų143.690%0.90278%0.782SS**  trans-127.7140163.9-111.3-89000113.1
272F43.5Very low44.9Very low191 Ų191144.1 Ų144.184%0.83879%0.789SS**  trans-80.3150.3-163.2-95.6-113.1000114.6
273I41Very low45Very low147 Ų147142.8 Ų142.875%0.75479%0.79SS**  trans-72.5164.6156.4-11.4177.4000108.3
274P41.3Very low44.7Very low105 Ų105146 Ų14668%0.68279%0.793SS**  -157166.859.645.4-23.7000120.7
275D40.3Very low45.1Very low140 Ų140151 Ų15175%0.74980%0.799SS**  trans83.8147.1130.9-85.4-30.3000125.8
276E43Very low45Very low164 Ų164153.7 Ų153.777%0.76681%0.806SS**  trans58.3115.7158.7-46.5-127.1121.400119.7
277L49.8Very low44.8Very low171 Ų171152.6 Ų152.690%0.89580%0.801SS**  -172.1126.494.9-94.9167.4000111.9
278N37.9Very low45.1Very low149 Ų149151.7 Ų151.780%0.79780%0.796SS**  trans-108.1124.1-175.7-179.424000109.2
279C45Very low45.4Very low126 Ų126149.3 Ų149.385%0.85180%0.796SS**  trans-164.5107.4172.2-119.50000113.5
280C36.7Very low45.6Very low123 Ų123150 Ų15083%0.83179%0.794SS**  trans-116.8130.8159.1-68.80000108.8
281P57.4Low45.8Very low134 Ų134153 Ų15387%0.8781%0.807SS**  trans-94.9119.6169.633.2-27.8000111.1
282S41.4Very low46.2Very low119 Ų119148 Ų14883%0.83281%0.806SS**  trans-92.1131.9161.752.60000110.2
283G42.9Very low46.7Very low64 Ų64145.5 Ų145.566%0.6680%0.801SS**  trans-170115.7166.800000110.7
284F44.7Very low47.4Very low197 Ų197146.9 Ų146.986%0.86481%0.805SS**  71.7105.192.6-76.1-66.3000113.1
285Y54.1Low47.7Very low238 Ų238145.3 Ų145.393%0.93381%0.808SS**  -163.6151.3100.5-109.1-80.7000110.4
286D43.2Very low48.4Very low149 Ų149144.2 Ų144.280%0.79781%0.808SS**  trans-116.6167.7-170.1-139.6-30.8000111.2
287D45.5Very low48.6Very low128 Ų128141.5 Ų141.568%0.68481%0.807SS**  trans75.6158156-129.3-31.1000121.9
288H52.1Low48.6Very low164 Ų164143.4 Ų143.476%0.75980%0.803SS**  trans80.4134.1173-57-27.6000117.9
289C50.3Low49Very low111 Ų111143.1 Ų143.175%0.7580%0.796SS**  cis-165.1178.4-9-163.70000111.1
290E53.7Low49.1Very low181 Ų181143.2 Ų143.285%0.84680%0.799SS**  trans89.5101.7157.6-52.7-158.3152.800119.5
291M47.6Very low49.6Very low182 Ų182141.8 Ų141.890%0.89780%0.795SS**  trans-81.7149.3158.9-59.8-125.8-66.800110.5
292S59.4Low49.1Very low124 Ų124146.7 Ų146.787%0.86780%0.797SS**  trans-164.2153.9150.4-67.30000109.5
293D53.4Low49.3Very low139 Ų139147.2 Ų147.274%0.74380%0.799SS**  cis-168.1153.2-47.7-150.27.5000104.2
294E56.4Low49.7Very low176 Ų176147.9 Ų147.982%0.82281%0.806SS**  trans57.9136.5153.6-63.9-79.48500122.7
295G46.6Very low49.9Very low73 Ų73146.4 Ų146.475%0.75381%0.807SS**  trans135.478.2142.700000119.6
296P55.6Low49.7Very low116 Ų116138.2 Ų138.275%0.75380%0.795SS**  trans-102156.3173.337.9-32.2000113.8
297S47.7Very low49.9Very low107 Ų107138.2 Ų138.275%0.74879%0.793SS**  trans-178.2132.5146.6-91.50000115.4
298R48.6Very low50.3Low212 Ų212139.7 Ų139.780%0.880%0.801SS**  trans59155.4135.5-63.8178.8152.5-153.8-8.9119.6
299E46.1Very low50.1Low142 Ų142136.9 Ų136.966%0.66480%0.797SS**  cis-165.8142-15.9-113.5170.1120.800106.3
300S48.6Very low49.8Very low129 Ų129137.8 Ų137.890%0.90280%0.799SS**  trans166.6136.3133.9-80.60000112.7
301A46.1Very low49.6Very low92 Ų92136.8 Ų136.876%0.7679%0.794SS**  trans-103155.1-178.900000113
302R46.6Very low49.7Very low237 Ų237138.7 Ų138.789%0.89479%0.793SS**  trans-175.4109.8140-99.7159.7-168.1-1312.9108.3
303C45.6Very low49.2Very low130 Ų130141.3 Ų141.388%0.87879%0.792SS**  78114.384.5-71.90000113.9
304G52.1Low48.8Very low78 Ų78141.1 Ų141.180%0.80480%0.796SS**  trans174.496171.900000111.9
305N48.6Very low48.4Very low167 Ų167137.1 Ų137.189%0.89379%0.793SS**  trans-95.2147.3-172.8-71-16.9000113.7
306G50.7Low48.6Very low66 Ų66143.8 Ų143.868%0.6880%0.801SS**  trans177.2111.5159.700000109
307I47.1Very low48.1Very low148 Ų148142.1 Ų142.176%0.75981%0.805SS**  59.9112.250.2-53.6-179.8000109.3
308L52.6Low48.3Very low160 Ų160148.5 Ų148.584%0.83881%0.812SS**  cis-152.3176.83.7-102.7166.4000109
309P48.6Very low47.8Very low104 Ų104143.5 Ų143.568%0.67581%0.81SS**  trans-101.5179.8-160.841.2-39000115.2
310T45.1Very low47.8Very low130 Ų130147.9 Ų147.980%0.79882%0.821SS**  trans-144.7133.1153.5-47.60000110.4
311E48.2Very low47.3Very low160 Ų160150 Ų15075%0.74882%0.816SS**  trans-84147.2-178.8-59.2168.1109.100111.9
312Y50.7Low47.5Very low223 Ų223153.1 Ų153.188%0.87582%0.819SS**  trans-142.3101.8150.4-83.6-75.9000110.4
313Q47.5Very low47.1Very low179 Ų179147.2 Ų147.284%0.83681%0.814SS**  trans-107.5113.9164.2-77.8-170.535.800110.1
314T46.6Very low47.1Very low135 Ų135147.4 Ų147.483%0.82881%0.811SS**  trans-174.3145.3158.228.90000108.2
315A47.9Very low46.9Very low92 Ų92149.6 Ų149.676%0.7681%0.809SS**  cis-157.3149.8-18.400000107.8G317A315-G317 PolarHBondContact O-N 3.44Å
316K50Low46.9Very low212 Ų212146.7 Ų146.792%0.92281%0.809SS**  trans-77.4107.7176.8-76.5176.8174.4173.60111R318K316-R318 PolarHBondContact O-N 3.3Å
317G45.3Very low46.5Very low81 Ų81146.6 Ų146.684%0.83581%0.808SS**PPolyproline II helixtrans-69.6120.8171.400000112.1A315A315-G317 PolarHBondContact O-N 3.44Å
318R51.8Low46.6Very low241 Ų241146 Ų14691%0.90981%0.811SS**PPolyproline II helixtrans-80140.9176.2-95.9178.9166.1177.3-4.9111.6K316K316-R318 PolarHBondContact O-N 3.3Å
319S38.5Very low46.8Very low108 Ų108147.5 Ų147.576%0.75581%0.814SS**PPolyproline II helixtrans-53.8138.7164.1178.10000111.9
320R46.7Very low46.9Very low234 Ų234149.9 Ų149.988%0.88382%0.821SS**  trans-124.8116.9161-78.1-171.9178.3179.10.8108.8
321H37.5Very low47.3Very low172 Ų172152 Ų15280%0.79683%0.826SS**  trans-64135.8158-88.6-106000109.2
322L50Low47.2Very low159 Ų159149.2 Ų149.283%0.83283%0.83SS**  trans-123110.2158.4-80.8169.8000107.7
323S39.2Very low47.4Very low113 Ų113144.3 Ų144.379%0.7983%0.829SS**  trans-82.3123.1167.5-53.70000108
324T44.8Very low47.4Very low133 Ų133142.1 Ų142.182%0.81682%0.823SS**  trans-123.4142.1169.5-50.50000109.2
325T48.4Very low47.8Very low124 Ų124141.7 Ų141.776%0.76182%0.822SS**  trans-100146.9-160.347.20000114.2
326A47Very low47.9Very low107 Ų107141.8 Ų141.888%0.88482%0.817SS**  trans49.9118.1139.700000120.4
327G43.2Very low48.2Very low64 Ų64140.1 Ų140.166%0.6681%0.813SS**  trans164.387.3166.700000106.8
328T50Low48.4Very low135 Ų135143.2 Ų143.283%0.82881%0.81SS**  31104.684.965.80000111.6
329E56.3Low48.2Very low191 Ų191138.1 Ų138.189%0.89381%0.811SS**  -151.4165.394.3-60.2-149.1151.500109.1
330D50.4Low48.9Very low155 Ų155137.6 Ų137.683%0.82981%0.807SS**  trans-69.3156-176.5-67.5-72.8000113.6
331L54.3Low48.8Very low174 Ų174129.7 Ų129.791%0.91180%0.799SS**  169.2101.2126.7-89170.9000109.2
332A44.5Very low49.4Very low101 Ų101129.6 Ų129.684%0.83580%0.801SS**  trans-77.9136.6177.500000111.6
333S55.8Low49.5Very low121 Ų121129.4 Ų129.485%0.84680%0.799SS**  trans-150.5113.2166.1-73.40000109.3
334D48.3Very low50Low133 Ų133129.9 Ų129.971%0.71179%0.791SS**  trans-86.2125.6-173.6-176.4-13.8000111.1S336D334-S336 PolarHBondContact O-N 3.15Å; D334-S336 WeakPolarHBondContact OD1-CB 3.29Å; D334-S336 PolarHBondContact OD1-OG 3.37Å
335P54.4Low50.2Low125 Ų125127.8 Ų127.881%0.81279%0.787SS**  trans-92.177.3178.436.6-33000112
336S49.7Very low50Low94 Ų94128.1 Ų128.166%0.65779%0.785SS**  trans-127.144.7-173.5-70.10000116D334D334-S336 PolarHBondContact O-N 3.15Å; D334-S336 WeakPolarHBondContact OD1-CB 3.29Å; D334-S336 PolarHBondContact OD1-OG 3.37Å
337E55.4Low50Low177 Ų177127.3 Ų127.383%0.82778%0.778SS**  trans-135.2133.2160.2-59-169.1170.700107.2
338L49.5Very low50.2Low147 Ų147134.2 Ų134.277%0.7779%0.785SS**  cis-150.6122.638.9-69.7160.2000111.2
339S49.1Very low50.2Low134 Ų134137.5 Ų137.594%0.93778%0.783SS**  trans-114.793.7160.5-179.70000108.9
340S53.5Low49.9Very low97 Ų97137.7 Ų137.768%0.67878%0.78SS**  trans-149.1118.1-175.858.50000114.1
341G44.2Very low50Low68 Ų68139.6 Ų139.670%0.70178%0.778SS**  trans90.541.6133.300000120I343G341-I343 VanDerWaalsContact C-N 3.31Å; G341-I343 PolarHBondContact O-N 3.02Å
342M50.5Low49.8Very low170 Ų170142.9 Ų142.984%0.83778%0.778SS**  trans-77.181.5164.7-166.7169.364.200111.6I344M342-I344 PolarHBondContact O-N 3.27Å; M342-I344 VanDerWaalsContact O-N 3.12Å
343I52Low50.1Low154 Ų154142 Ų14279%0.7977%0.771SS**  trans-71.1103.2176.2-60.9172.9000110G341 A345G341-I343 VanDerWaalsContact C-N 3.31Å; G341-I343 PolarHBondContact O-N 3.02Å; I343-A345 PolarHBondContact O-N 2.91Å
344I48.7Very low50.3Low123 Ų123145.8 Ų145.863%0.63177%0.772SS**  trans-76.891.1174-57.3177.4000109.4M342 N346M342-I344 PolarHBondContact O-N 3.27Å; M342-I344 VanDerWaalsContact O-N 3.12Å; I344-N346 VanDerWaalsContact C-N 3.31Å; I344-N346 PolarHBondContact O-N 2.96Å
345A50Low50.8Low89 Ų89150.9 Ų150.974%0.73678%0.781SS**  trans-71.881.917300000111.6I343 A347I343-A345 PolarHBondContact O-N 2.91Å; A345-A347 VanDerWaalsContact C-N 3.27Å; A345-A347 PolarHBondContact O-N 3.06Å
346N43Very low50.9Low132 Ų132155.3 Ų155.371%0.70678%0.782SS**  trans-71.271.5-178.9-113.9-22.1000112.9I344 Y348I344-N346 VanDerWaalsContact C-N 3.31Å; I344-N346 PolarHBondContact O-N 2.96Å; N346-Y348 PolarHBondContact O-N 3.49Å; N346-Y348 VanDerWaalsContact O-N 3.14Å
347A48.4Very low51.3Low90 Ų90156.7 Ų156.774%0.74479%0.788SS**  trans-87.962.2-177.500000113.5A345 R349A345-A347 VanDerWaalsContact C-N 3.27Å; A345-A347 PolarHBondContact O-N 3.06Å; A347-R349 VanDerWaalsContact C-N 3.29Å; A347-R349 PolarHBondContact O-N 2.98Å
348Y47.3Very low51.4Low208 Ų208156.6 Ų156.682%0.81679%0.788SS**  trans-70.872.2176.1-109.8-82.5000113N346 K350N346-Y348 PolarHBondContact O-N 3.49Å; N346-Y348 VanDerWaalsContact O-N 3.14Å; Y348-K350 PolarHBondContact O-N 3.21Å; Y348-K350 VanDerWaalsContact O-N 3.11Å
349R49.8Very low51.9Low205 Ų205155.2 Ų155.277%0.77479%0.787SS**  trans-77.195.5170.7-82-166.4178.6-161.71111.7A347 Y351A347-R349 VanDerWaalsContact C-N 3.29Å; A347-R349 PolarHBondContact O-N 2.98Å; R349-Y351 HydrophobicContact CB-CD2 4.41Å; R349-Y351 PolarHBondContact O-N 2.74Å
350K50.4Low52.5Low194 Ų194155.5 Ų155.584%0.84378%0.783SS**  trans-57.887.6165.5-77175.3174.9168.40111.6Y348 R352Y348-K350 PolarHBondContact O-N 3.21Å; Y348-K350 VanDerWaalsContact O-N 3.11Å; K350-R352 PolarHBondContact O-N 3.09Å
351Y50.7Low52.9Low196 Ų196160.1 Ų160.177%0.76979%0.791SS**  trans-75.386.4167.7-98.9-86.2000110.9R349 A353R349-Y351 HydrophobicContact CB-CD2 4.41Å; R349-Y351 PolarHBondContact O-N 2.74Å; Y351-A353 PolarHBondContact O-N 3.03Å
352R50.7Low53Low243 Ų243160.3 Ų160.392%0.91779%0.793SS**  trans-68.780.9163.8-88-172.5167.1-175.9-3.2109.9K350 K354K350-R352 PolarHBondContact O-N 3.09Å; R352-K354 PolarHBondContact O-N 2.99Å
353A51.9Low53.4Low83 Ų83158.5 Ų158.569%0.68679%0.791SS**  trans-70.889.3169.900000110.2Y351 R355Y351-A353 PolarHBondContact O-N 3.03Å; A353-R355 PolarHBondContact O-N 2.72Å
354K58.3Low53.2Low200 Ų200160.6 Ų160.687%0.8780%0.798SS**  trans-58.498.3165.9-89.7-175.2171.6-178.90108.7R352 R356R352-K354 PolarHBondContact O-N 2.99Å; K354-R356 PolarHBondContact O-N 2.98Å; K354-R356 VanDerWaalsContact O-N 3.09Å
355R59.9Low53.4Low240 Ų240164.2 Ų164.291%0.90681%0.809SS**  trans-64.3107.7165-71.9-172.2175-156-1.2107.5A353A353-R355 PolarHBondContact O-N 2.72Å
356R56.8Low53.2Low218 Ų218172 Ų17282%0.82382%0.819SS**PPolyproline II helixtrans-66.3131.9165.9-72.2-179172.5175.9-4107.6K354 H358K354-R356 PolarHBondContact O-N 2.98Å; K354-R356 VanDerWaalsContact O-N 3.09Å; R356-H358 PolarHBondContact O-N 2.92Å
357P58.5Low53.5Low123 Ų123173.4 Ų173.480%0.79983%0.825SS**PPolyproline II helixtrans-64.4125.8169.427.3-32000108.3
358H56.1Low53.7Low175 Ų175172.5 Ų172.581%0.8183%0.825SS**PPolyproline II helixtrans-79132.7168.4-83.1-90.5000108.6R356 V360R356-H358 PolarHBondContact O-N 2.92Å; H358-V360 PolarHBondContact O-N 3.03Å
359P61.2Low53.4Low117 Ų117168.7 Ų168.776%0.7682%0.823SS**PPolyproline II helixtrans-66.6125174.327.3-32.9000109.5K361P359-K361 PolarHBondContact O-N 3.17Å
360V62Low53.3Low140 Ų140165.2 Ų165.285%0.84883%0.829SS**  trans-67113.2172.7177.80000107.9H358 G362H358-V360 PolarHBondContact O-N 3.03Å; V360-G362 PolarHBondContact O-N 3.46Å
361K60.4Low52.7Low194 Ų194162.1 Ų162.184%0.84383%0.826SS**  trans-7396.8170.6-74-174.2175-175.20108.7P359 T363P359-K361 PolarHBondContact O-N 3.17Å; K361-T363 PolarHBondContact O-N 3.26Å
362G47.6Very low52.4Low72 Ų72156.8 Ų156.874%0.74282%0.823SS**  trans-63.8121.4172.100000110.9V360V360-G362 PolarHBondContact O-N 3.46Å
363T57.3Low52.1Low132 Ų132151.9 Ų151.981%0.8182%0.815SS**  trans-99.397.9167.141.60000109.2K361 K365K361-T363 PolarHBondContact O-N 3.26Å; T363-K365 PolarHBondContact O-N 3.05Å
364Q48.7Very low51.7Low199 Ų199154.9 Ų154.993%0.9382%0.819SS**  trans-64.1118.4164.3-72178.9-19.400108.9
365K53.6Low50.9Low198 Ų198150.7 Ų150.786%0.86182%0.815SS**  trans-108.9119.2158.9-91.6-174172.4-176.90108.5T363T363-K365 PolarHBondContact O-N 3.05Å
366R45.4Very low50.1Low252 Ų252143.8 Ų143.895%0.95180%0.804SS**PPolyproline II helixtrans-57.5132.7172.5-70.6173.8169.4176.4-5.6109.6
367I49.4Very low49.7Very low162 Ų162143.1 Ų143.183%0.83181%0.807SS**PPolyproline II helixtrans-96.8117.7157.3-65.4176.4000106
368G51Low49Very low72 Ų72145 Ų14574%0.74281%0.81SS**PPolyproline II helixtrans-86.8131.4175.600000110.5
369V41.3Very low48.7Very low127 Ų127141.4 Ų141.477%0.7780%0.802SS**PPolyproline II helixtrans-88.4129.6173.5175.90000109.1
370C48.6Very low47.8Very low132 Ų132141 Ų14189%0.89280%0.801SS**  trans-134116.3161.2-72.70000109.5
371T38.2Very low47.1Very low129 Ų129138.8 Ų138.879%0.79179%0.792SS**  trans-82.6146.5172.946.20000111.5
372A44.4Very low46.5Very low84 Ų84136.5 Ų136.569%0.69480%0.795SS**  172130.2129.400000115
373N43.5Very low46.2Very low141 Ų141136.7 Ų136.775%0.75480%0.796SS**  trans7899.2136.4-58.8-3.6000122.8
374N43Very low45.4Very low146 Ų146134.3 Ų134.378%0.78180%0.798SS**  48.6115.7115.8-59.3-8.2000121.1
375S42.6Very low45Very low112 Ų112130.9 Ų130.978%0.78380%0.796SS**  -176.7114.4100.234.10000113.6
376S43.6Very low44.5Very low95 Ų95127 Ų12766%0.66479%0.793SS**  trans5.8130.8135.753.50000120
377F46.5Very low44.3Very low204 Ų204120.1 Ų120.190%0.89578%0.784SS**  -162.3150.399.1-98.3-73000111.6
378L44.5Very low44.3Very low162 Ų162121.5 Ų121.585%0.84878%0.784SS**  trans-133.2-175.7-173.1-87.9179.8000107.4
379P50.2Low43.9Very low100 Ų100124.9 Ų124.965%0.64979%0.785SS**  cis-136-162.1-32.631.2-9.8000112.3
380S42.8Very low43.7Very low107 Ų107124.1 Ų124.175%0.74878%0.784SS**  trans81.8147.2146.1-68.20000118.9
381S46.6Very low43.5Very low94 Ų94125.8 Ų125.866%0.65778%0.783SS**  cis-171165.9-10.145.70000110.5
382V48.6Very low43.9Very low147 Ų147123.9 Ų123.989%0.89178%0.78SS**  trans49.2144.6161.2-67.50000119.5
383G40Very low44Very low76 Ų76126.6 Ų126.678%0.78478%0.783SS**  cis152.1167.53.800000109
384G41.2Very low44.1Very low82 Ų82128.3 Ų128.385%0.84579%0.786SS**  trans111.8107.2162.300000117.9
385S41.1Very low44.1Very low126 Ų126125.2 Ų125.288%0.88179%0.789SS**  trans-40.8153.9162.2-38.50000116.8
386S42.1Very low44.2Very low116 Ų116131.6 Ų131.681%0.81180%0.796SS**  179.9138.3112-164.20000113.1
387S41.4Very low44.2Very low108 Ų108131.1 Ų131.176%0.75580%0.798SS**  trans-88.2146.8172.4-48.70000111.7
388K48.8Very low44Very low192 Ų192126.4 Ų126.484%0.83579%0.79SS**  trans-170.2121148.6-106.8154.1-170-179.10114.4
389N43Very low44Very low142 Ų142126.3 Ų126.376%0.75979%0.789SS**  trans36121.5139.4-59.78.9000122.3
390C37.9Very low43.9Very low111 Ų111129.2 Ų129.275%0.7580%0.799SS**  34.1130.6116.7-40.10000120.6
391I43.3Very low44.3Very low168 Ų168129.1 Ų129.186%0.86280%0.796SS**  173.9145.7120.7-89.9154.3000111
392A45.9Very low44.1Very low89 Ų89132.4 Ų132.474%0.73681%0.805SS**  trans60.5125.416900000117.5
393D46.5Very low44Very low140 Ų140128.6 Ų128.675%0.74979%0.79SS**  cis82.2137.427.2-15923.5000116
394Q45.9Very low44.5Very low177 Ų177132.1 Ų132.183%0.82779%0.789SS**  trans71.5132.7174.4-46.1-171.922.400119
395G43.6Very low44.8Very low81 Ų81134.6 Ų134.684%0.83578%0.778SS**  trans159.358.3165.100000119.8
396R44.4Very low45Very low247 Ų247137.6 Ų137.693%0.93277%0.771SS**  trans-4.2122.1161.5-83.5-179.6167.4-163.4-2.5120.4
397A44.1Very low45.2Very low85 Ų85141.9 Ų141.970%0.70277%0.769SS**  76.1139.711300000123.6
398S43Very low45.5Very low104 Ų104143.6 Ų143.673%0.72777%0.769SS**  trans101124.9137.4-640000121.9
399L44.3Very low45.3Very low161 Ų161142.9 Ų142.984%0.84377%0.769SS**  trans75.8102.4150.7-59.1159000117.6
400L47.6Very low45.3Very low161 Ų161140.3 Ų140.384%0.84377%0.767SS**  57.7145.472.7-80.6162.7000115.1
401P50.3Low45.6Very low105 Ų105145.7 Ų145.768%0.68277%0.774SS**  -137-167.7-120.444.7-26.5000114
402D42.6Very low45.4Very low162 Ų162142 Ų14287%0.86676%0.763SS**  trans-179.3161.6152.2-97.3-23.7000107.8
403A46Very low45.4Very low68 Ų68147.2 Ų147.256%0.56277%0.769SS**  cis-172.7-168.4-22.600000106.9
404I50.5Low45.3Very low149 Ų149146.5 Ų146.576%0.76477%0.769SS**  trans73.2132.2152.7-68.9158.8000115.7
405Q47.7Very low45.4Very low134 Ų134144.3 Ų144.363%0.62677%0.77SS**  cis-164.4146.35.8-117.8176.229.800114
406R46.6Very low45.2Very low190 Ų190146.5 Ų146.572%0.71777%0.767SS**  trans42.1123.9131.7-68.3174.5-173.3-176.3-2119.9
407R45.8Very low45.4Very low206 Ų206139.7 Ų139.778%0.77776%0.758SS**  162.3170.778.2-110152.3179.3168-4.7108.1
408N48.4Very low45.3Very low143 Ų143143.4 Ų143.477%0.76577%0.766SS**  cis-154.9-171.5-2.2-140.17000111.1
409H43.8Very low45.2Very low178 Ų178141.6 Ų141.682%0.82476%0.764SS**  trans-102.2163.5175.8-66.4-101.1000115.2
410A43.5Very low45.2Very low88 Ų88145.1 Ų145.173%0.72777%0.766SS**  176.3134.9113.600000116.2
411Y42.7Very low45.1Very low224 Ų224146.4 Ų146.488%0.87877%0.767SS**  trans32.3154.4138.7-69.7-103.3000122.7
412S39.1Very low44.9Very low91 Ų91150.7 Ų150.764%0.63678%0.776SS**  cis175.4168.9-15.4179.20000109.6
413K46.2Very low45.3Very low197 Ų197151.5 Ų151.586%0.85777%0.774SS**  trans105.4130.4157.3-58.4-176.8-178.91790119.2
414V44.3Very low44.9Very low126 Ų126159.3 Ų159.376%0.76479%0.789SS**  trans-105.2158.6170.2-179.70000108.1
415P49.1Very low44.9Very low130 Ų130161.3 Ų161.384%0.84480%0.795SS**  trans-137.9152.5133.134-20000115
416T38.7Very low44.5Very low127 Ų127160.5 Ų160.578%0.77980%0.799SS**  trans-102.5144174.747.60000111.7
417S48.8Very low44.8Very low104 Ų104157.3 Ų157.373%0.72781%0.806SS**  trans-176.7140147.753.40000113.6
418D43.4Very low44.7Very low164 Ų164156.2 Ų156.288%0.87781%0.807SS**  trans55.5144.4148.9-53.4-26.9000121.5
419G39.2Very low44.6Very low66 Ų66156.9 Ų156.968%0.6881%0.81SS**  cis123.994.36.400000111.5
420R45.1Very low44.6Very low235 Ų235157 Ų15789%0.88781%0.809SS**  trans-154.2118.1170-106.7164.9-149.2-123.92.1112.2
421Q44.9Very low44.6Very low187 Ų187162.1 Ų162.187%0.87482%0.817SS**  trans-77.5151.7163.7-63.4177.6-11.200109.7
422F46.4Very low44.5Very low196 Ų196162 Ų16286%0.8682%0.816SS**  trans-140.4148.2153.4-102.1-75.9000112.3
423Q51Low44.7Very low178 Ų178163.6 Ų163.683%0.83282%0.824SS**  trans-100.5145-153.2-170172.67.100111.9
424R38.2Very low44.5Very low233 Ų233159 Ų15988%0.87982%0.816SS**  trans-76138.6172.2-68.5-178.6175.7-144.4-0.8110.4
425Q50.6Low44.4Very low190 Ų190157.7 Ų157.789%0.88882%0.818SS**  trans-118.9152.3153.3-74.9-160.8-6.500111.1
426V38.8Very low44.2Very low117 Ų117156.7 Ų156.771%0.70982%0.815SS**  trans-125.7126.5-171.1174.40000107.9
427S52.5Low44.4Very low123 Ų123160.5 Ų160.586%0.8682%0.815SS**  trans-127.2128.9170.1-65.20000110.5
428K45.1Very low44.4Very low184 Ų184161.1 Ų161.180%0.881%0.814SS**  trans-107.5135.6179.4-62.4167.7179.31690109.3
429N45.3Very low44.4Very low156 Ų156160 Ų16083%0.83480%0.804SS**  trans-169.9127.1145.4-99.6-15.7000106.7
430K43Very low44.7Very low182 Ų182162.2 Ų162.279%0.79181%0.808SS**  cis78.481.331-158.2-170.5-175.5-171.90113.8
431Q44.5Very low45Very low194 Ų194157 Ų15791%0.90781%0.808SS**  -173151.2122.2-101.7164.5-11.500112.7
432R40.4Very low44.7Very low223 Ų223154.7 Ų154.784%0.84281%0.807SS**  trans-119.9156.5170.5-155-164.9178.1-174.5-1.6104.6
433P44Very low44.7Very low124 Ų124151.1 Ų151.181%0.80581%0.805SS**  -149.2-16190.338.2-17.5000115
434S40.7Very low44.1Very low101 Ų101151.4 Ų151.471%0.70681%0.806SS**  trans-98.9-176.7-150.5420000118
435A41.8Very low44.7Very low97 Ų97145.8 Ų145.880%0.80280%0.803SS**  trans81.4146160.800000116.6
436S45.4Very low44.4Very low110 Ų110142.3 Ų142.377%0.76980%0.799SS**  cis-157.8164.6241.30000112.2
437R42.5Very low44.8Very low207 Ų207141 Ų14178%0.78180%0.795SS**  trans25.4137.5141.2-125.9174.1174.1167.8-2.8118.1E439R437-E439 IonicContact NE-OE1 2.8Å
438V49Very low44.8Very low117 Ų117142.2 Ų142.271%0.70979%0.792SS**  -158.7150.258174.60000111.1
439E44Very low45Very low141 Ų141142 Ų14266%0.65979%0.794SS**  trans-18.4164146.7-63.5133.1-151.500117.1R437R437-E439 IonicContact NE-OE1 2.8Å
440S44.7Very low45.6Very low111 Ų111144.3 Ų144.378%0.77680%0.797SS**  cis-178.1150.3-3.740.90000109.2
441S51.5Low46.2Very low127 Ų127142.5 Ų142.589%0.88880%0.795SS**  trans-173.5166144.457.80000112.7
442T39.5Very low46.9Very low137 Ų137139.3 Ų139.384%0.8478%0.784SS**  trans-125.7143.1-15721.80000114
443C46.6Very low47.6Very low121 Ų121136.9 Ų136.982%0.81878%0.78SS**  trans-170.4119.4146.748.40000107.3
444E37.9Very low48.3Very low184 Ų184133.5 Ų133.586%0.8676%0.763SS**  77.792.353.3-64.7-121.6119.900114.3
445S50.9Low49.5Very low116 Ų116132.2 Ų132.281%0.81175%0.753SS**  trans177.9115.7152-760000107
446S44.4Very low50.8Low116 Ų116132.7 Ų132.781%0.81174%0.742SS**  63.9124.575.7-163.90000111.9
447S48.2Very low52.2Low90 Ų90136.9 Ų136.963%0.62974%0.741SS**  cis-154.4-175.68.348.90000111.7
448D51.4Low53.8Low148 Ų148132.3 Ų132.379%0.79173%0.731SS**  trans79.572.9160.6-52.5-46.9000120.8
449E49.7Very low55Low179 Ų179132.5 Ų132.584%0.83673%0.726SS**  trans-128.197.2153.2-64.9-156.7146.200111
450K57.7Low56.6Low206 Ų206132.3 Ų132.390%0.89673%0.725SS**  trans-137.72.6175.8-85.6-163.2174.6-177.10117
451D56.3Low58.3Low143 Ų143129.4 Ų129.477%0.76571%0.708SS**SBendtrans-118.316.7-167.5-134.42000115.5
452L57.9Low59.6Low127 Ų127127.3 Ų127.367%0.66569%0.69SS**SBendtrans-100.7-14.8-177.6-74.5167.4000114.8
453F55.4Low61.4Low172 Ų172126.8 Ų126.875%0.75468%0.677SS**Hα-helixtrans-88.7-8.2-177.1-66.6-73.6000114.8
454A60.2Low62.9Low54 Ų54123.3 Ų123.345%0.44666%0.655SS.*Hα-helixtrans-77.6-40.6175.600000112.3R457 I458A454-R457 PolarHBondContact O-N 2.86Å; A454-I458 WeakPolarHBondContact O-CG1 3.26Å; A454-I458 PolarHBondContact O-N 3.24Å
455S64.1Low64.7Low73 Ų73119.7 Ų119.751%0.5164%0.64SS.*Hα-helixtrans-66-41.3-175.8-66.10000113.6R457 I458 M459S455-R457 VanDerWaalsContact C-N 3.34Å; S455-R457 PolarHBondContact O-N 2.68Å; S455-I458 PolarHBondContact O-N 2.85Å; S455-M459 WeakPolarHBondContact O-CG 3.24Å; S455-M459 PolarHBondContact O-N 2.82Å
456D69.7Low65.4Low107 Ų107121.2 Ų121.257%0.57263%0.632SS**Hα-helixtrans-66.8-34.8-179.6-76.8-9.6000112.3M459 Q460D456-M459 PolarHBondContact O-N 3.2Å; D456-Q460 WeakPolarHBondContact O-CG 3.19Å; D456-Q460 PolarHBondContact O-N 3.44Å
457R75Confident66.4Low198 Ų198122.5 Ų122.575%0.74763%0.626SS**Hα-helixtrans-68.7-36.4174.2-73.1-173.2175.2-167.5-1.1112.5A454 S455 A461A454-R457 PolarHBondContact O-N 2.86Å; S455-R457 VanDerWaalsContact C-N 3.34Å; S455-R457 PolarHBondContact O-N 2.68Å; R457-A461 WeakPolarHBondContact O-CB 3.46Å; R457-A461 PolarHBondContact O-N 2.72Å; R457-A461 VanDerWaalsContact O-N 3.07Å
458I76.9Confident67.2Low112 Ų112125.1 Ų125.157%0.57463%0.625SS**Hα-helixtrans-67.8-42.1175.7-66.7166.4000110.2A454 S455 A461 V462A454-I458 WeakPolarHBondContact O-CG1 3.26Å; A454-I458 PolarHBondContact O-N 3.24Å; S455-I458 PolarHBondContact O-N 2.85Å; I458-A461 PolarHBondContact O-N 2.77Å; I458-V462 WeakPolarHBondContact O-CG2 3.3Å; I458-V462 PolarHBondContact O-N 3.19Å
459M74.2Confident67.6Low120 Ų120126 Ų12659%0.59162%0.623SS**Hα-helixtrans-60.6-48.4176.1-72.2-77.2-69.200112S455 D456 A461 V462 E463S455-M459 WeakPolarHBondContact O-CG 3.24Å; S455-M459 PolarHBondContact O-N 2.82Å; D456-M459 PolarHBondContact O-N 3.2Å; M459-A461 VanDerWaalsContact C-N 3.32Å; M459-A461 PolarHBondContact O-N 3.13Å; M459-V462 PolarHBondContact O-N 3.2Å; M459-E463 PolarHBondContact O-N 2.96Å
460Q77.6Confident67.9Low137 Ų137121.7 Ų121.764%0.6461%0.611SS**Hα-helixtrans-62.3-36176.7-74.7-178.9-12.300113D456 S464D456-Q460 WeakPolarHBondContact O-CG 3.19Å; D456-Q460 PolarHBondContact O-N 3.44Å; Q460-S464 WeakPolarHBondContact O-CB 3.4Å; Q460-S464 PolarHBondContact O-N 3.31Å
461A78.5Confident67.7Low51 Ų51116.6 Ų116.642%0.42160%0.601SS.*Hα-helixtrans-65.8-39.4175.100000112.1R457 I458 M459 S464 I465R457-A461 WeakPolarHBondContact O-CB 3.46Å; R457-A461 PolarHBondContact O-N 2.72Å; R457-A461 VanDerWaalsContact O-N 3.07Å; I458-A461 PolarHBondContact O-N 2.77Å; M459-A461 VanDerWaalsContact C-N 3.32Å; M459-A461 PolarHBondContact O-N 3.13Å; A461-S464 PolarHBondContact O-N 2.86Å; A461-I465 WeakPolarHBondContact O-CD1 3.4Å; A461-I465 VanDerWaalsContact O-CG1 3.28Å; A461-I465 WeakPolarHBondContact O-CG1 3.49Å; A461-I465 PolarHBondContact O-N 2.71Å; A461-I465 VanDerWaalsContact O-N 3.14Å
462V79.9Confident67.3Low83 Ų83116.5 Ų116.550%0.50360%0.6SS.*Hα-helixtrans-68.6-41.1177.71730000111.7I458 M459 I465 F466I458-V462 WeakPolarHBondContact O-CG2 3.3Å; I458-V462 PolarHBondContact O-N 3.19Å; M459-V462 PolarHBondContact O-N 3.2Å; V462-I465 PolarHBondContact O-N 2.87Å; V462-F466 PolarHBondContact O-N 3.11Å; V462-F466 VanDerWaalsContact O-N 3.15Å
463E77.4Confident66.8Low125 Ų125116.4 Ų116.458%0.58461%0.605SS**Hα-helixtrans-61.1-45.8173.5-73.3-178.9148.500111.5M459 I465 F466 E467M459-E463 PolarHBondContact O-N 2.96Å; E463-I465 VanDerWaalsContact C-N 3.28Å; E463-I465 PolarHBondContact O-N 2.86Å; E463-F466 PolarHBondContact O-N 3.29Å; E463-E467 PolarHBondContact O-N 3.03Å; E463-E467 VanDerWaalsContact O-N 3.08Å
464S78.2Confident66.3Low48 Ų48114.9 Ų114.934%0.33661%0.61SS.*Hα-helixtrans-60.8-33.2177.6-167.50000113.6Q460 A461 K468Q460-S464 WeakPolarHBondContact O-CB 3.4Å; Q460-S464 PolarHBondContact O-N 3.31Å; A461-S464 PolarHBondContact O-N 2.86Å; S464-K468 WeakPolarHBondContact O-CB 3.37Å; S464-K468 WeakPolarHBondContact O-CD 3.37Å; S464-K468 VanDerWaalsContact O-CG 3.31Å; S464-K468 WeakPolarHBondContact O-CG 3.5Å; S464-K468 PolarHBondContact O-N 2.87Å
465I75.7Confident65.4Low108 Ų108124.5 Ų124.555%0.55463%0.634SS**Hα-helixtrans-71.9-35.4175.8-69.5164.5000111.3A461 V462 E463 K469A461-I465 WeakPolarHBondContact O-CD1 3.4Å; A461-I465 VanDerWaalsContact O-CG1 3.28Å; A461-I465 WeakPolarHBondContact O-CG1 3.49Å; A461-I465 PolarHBondContact O-N 2.71Å; A461-I465 VanDerWaalsContact O-N 3.14Å; V462-I465 PolarHBondContact O-N 2.87Å; E463-I465 VanDerWaalsContact C-N 3.28Å; E463-I465 PolarHBondContact O-N 2.86Å; I465-K469 PolarHBondContact O-N 2.88Å
466F65Low64.5Low149 Ų149130.7 Ų130.765%0.65465%0.652SS**Hα-helixtrans-72.9-42.5-178.9-129.2-90000112.4V462 E463 K468 K469 C470V462-F466 PolarHBondContact O-N 3.11Å; V462-F466 VanDerWaalsContact O-N 3.15Å; E463-F466 PolarHBondContact O-N 3.29Å; F466-K468 PolarHBondContact O-N 2.99Å; F466-K469 PolarHBondContact O-N 3.38Å; F466-C470 PolarHBondContact O-N 3.06Å; F466-C470 PolarHBondContact O-SG 3.34Å
467E66.3Low63.3Low143 Ų143129.6 Ų129.667%0.66866%0.658SS**Hα-helixtrans-63.9-40.3175.7-68.6-172144.800112.2E463 K469 C470 S471E463-E467 PolarHBondContact O-N 3.03Å; E463-E467 VanDerWaalsContact O-N 3.08Å; E467-K469 VanDerWaalsContact C-N 3.29Å; E467-K469 PolarHBondContact O-N 2.88Å; E467-C470 PolarHBondContact O-N 3.23Å; E467-S471 PolarHBondContact O-N 3.4Å; E467-S471 PolarHBondContact O-OG 2.86Å
468K63.9Low61.8Low144 Ų144127.4 Ų127.463%0.62666%0.661SS**Hα-helixtrans-64.9-27.9176.5-77.4173.1179163.70113.7S464 F466S464-K468 WeakPolarHBondContact O-CB 3.37Å; S464-K468 WeakPolarHBondContact O-CD 3.37Å; S464-K468 VanDerWaalsContact O-CG 3.31Å; S464-K468 WeakPolarHBondContact O-CG 3.5Å; S464-K468 PolarHBondContact O-N 2.87Å; F466-K468 PolarHBondContact O-N 2.99Å
469K60.2Low60.2Low168 Ų168129.5 Ų129.573%0.7367%0.669SS**Hα-helixtrans-83.2-30175.2-96.8-177.7171.8179.60114.1I465 F466 E467 S471I465-K469 PolarHBondContact O-N 2.88Å; F466-K469 PolarHBondContact O-N 3.38Å; E467-K469 VanDerWaalsContact C-N 3.29Å; E467-K469 PolarHBondContact O-N 2.88Å; K469-S471 PolarHBondContact O-N 2.96Å
470C56.3Low58.8Low88 Ų88129.8 Ų129.860%0.59567%0.673SS**Hα-helixtrans-73.4-16.5178.1-63.50000113.4F466 E467 L472F466-C470 PolarHBondContact O-N 3.06Å; F466-C470 PolarHBondContact O-SG 3.34Å; E467-C470 PolarHBondContact O-N 3.23Å; C470-L472 PolarHBondContact O-N 2.9Å
471S52.3Low57.4Low98 Ų98129.9 Ų129.969%0.68568%0.682SS**THydrogen-bonded Turntrans-89.98.3-172.3-55.80000114.9E467 K469E467-S471 PolarHBondContact O-N 3.4Å; E467-S471 PolarHBondContact O-OG 2.86Å; K469-S471 PolarHBondContact O-N 2.96Å
472L49Very low55.5Low142 Ų142132.5 Ų132.574%0.74370%0.698SS**THydrogen-bonded Turntrans-1073.3-168.6-89.9162.3000116C470C470-L472 PolarHBondContact O-N 2.9Å
473T47.4Very low53.7Low125 Ų125135.5 Ų135.577%0.76772%0.716SS**SBendtrans-127.634.4-174.9520000115.7
474T44.3Very low51.7Low140 Ų140133.8 Ų133.886%0.85972%0.723SS**  trans-155.8113.2159.512.90000112
475R41.5Very low50.2Low255 Ų255138.6 Ų138.696%0.96275%0.751SS**  trans-139.8120.1165-80.3-174.5173.8-172.9-2108.8
476K46.3Very low48.5Very low203 Ų203138.5 Ų138.588%0.88376%0.76SS**  175.9133.2124.2-162.7162.7-173.6176.70112.3
477A44.4Very low47.6Very low85 Ų85138.5 Ų138.570%0.70277%0.771SS**  trans66140.7163.200000118.1
478N42.7Very low46.4Very low152 Ų152137 Ų13781%0.81378%0.777SS**  cis-154.5160.3-4.4-126.64.5000113.9
479Q43.2Very low45.6Very low155 Ų155136.4 Ų136.472%0.72479%0.787SS**  trans-56.5166.6162.9-78174.1-8200113.4
480D44.1Very low44.9Very low127 Ų127133.2 Ų133.268%0.67979%0.792SS**  cis-166.2-178-1.5-110.8-21.4000110.1
481V49.7Very low44.7Very low138 Ų138134 Ų13484%0.83680%0.799SS**  trans99.7111.6155.6-169.40000118.1
482S38.1Very low44.3Very low107 Ų107135 Ų13575%0.74881%0.806SS**  trans-79.3163.4173.3-360000113.9
483T41.1Very low44.3Very low145 Ų145136.5 Ų136.589%0.8981%0.809SS**  -169.8147.7121.4-72.60000109.7
484A36.1Very low44.3Very low89 Ų89136.7 Ų136.774%0.73681%0.809SS**  trans-90.4163.3-169.800000114.8
485V46.9Very low44.5Very low150 Ų150135.9 Ų135.991%0.90980%0.804SS**  trans-166.4148.5130.3141.90000108.8
486S39Very low44.8Very low106 Ų106135.1 Ų135.174%0.74180%0.801SS**  trans-109.5145.1-169.553.60000114.7
487V46.7Very low44.9Very low148 Ų148131.6 Ų131.690%0.89780%0.797SS**  trans-142.8142.9153-172.90000109.4
488S41.9Very low45.2Very low112 Ų112139.2 Ų139.278%0.78381%0.808SS**  trans-93155.6-169.6-65.60000114.9
489P46.6Very low45.3Very low131 Ų131141.9 Ų141.985%0.85181%0.812SS**  trans-94152.2-17236.6-36.2000115
490A45.2Very low45.4Very low101 Ų101142.7 Ų142.784%0.83582%0.816SS**  trans-108.6106.8178.800000114
491S52Low45.7Very low105 Ų105141.6 Ų141.673%0.73482%0.815SS**  trans24.9106.2142.3-168.60000119.5
492S44.8Very low45.8Very low119 Ų119144.8 Ų144.883%0.83282%0.821SS**  trans-94.2126.6160.864.90000111.6
493H47.6Very low46.2Very low173 Ų173144.2 Ų144.280%0.80182%0.818SS**  trans-86.1128.1-169.1-124.1-86.2000112.8V495H493-V495 PolarHBondContact O-N 2.84Å; H493-V495 VanDerWaalsContact O-N 3.14Å
494V47.2Very low46.5Very low129 Ų129142.2 Ų142.278%0.78281%0.809SS**  trans-65.6111.6178.1177.50000111.4R496V494-R496 PolarHBondContact O-N 2.92Å
495V48.6Very low47.3Very low124 Ų124147.5 Ų147.575%0.75282%0.819SS**  trans-67113.8171.2176.20000110H493 T497H493-V495 PolarHBondContact O-N 2.84Å; H493-V495 VanDerWaalsContact O-N 3.14Å; V495-T497 PolarHBondContact O-N 2.84Å
496R49.3Very low48.1Very low238 Ų238144.6 Ų144.690%0.89881%0.805SS**  trans-67.895.2172.1-77.1177.8168.1141.1-2.8110.6V494 R498V494-R496 PolarHBondContact O-N 2.92Å; R496-R498 PolarHBondContact O-N 2.87Å
497T48.6Very low49.9Very low130 Ų130144.3 Ų144.380%0.79879%0.792SS**  trans-60.7125.6165.548.40000109.8V495 K499V495-T497 PolarHBondContact O-N 2.84Å; T497-K499 PolarHBondContact O-N 3.06Å
498R49.4Very low52Low244 Ų244141.1 Ų141.192%0.92177%0.767SS**  trans-60.5133.3178-86.7179.5167.1179.4-2.8109.6R496 Q500R496-R498 PolarHBondContact O-N 2.87Å; R498-Q500 PolarHBondContact O-N 2.74Å
499K44.9Very low54.5Low209 Ų209142.1 Ų142.191%0.90975%0.754SS**  trans-55.7103.8173.2-73.2174.6175.8173.30110.5T497T497-K499 PolarHBondContact O-N 3.06Å
500Q45Very low56.9Low172 Ų172136 Ų13680%0.80471%0.714SS**  trans-61.5136.7165.3-165.3179.722.200108.7R498 Q502R498-Q500 PolarHBondContact O-N 2.74Å; Q500-Q502 PolarHBondContact O-N 2.95Å; Q500-Q502 VanDerWaalsContact O-N 3.16Å
501P50.4Low59.3Low103 Ų103138.2 Ų138.267%0.66971%0.705SS**  trans-65.3117.9-174.223.4-33.5000112.1S503P501-S503 PolarHBondContact O-N 2.94Å
502Q52.1Low61.4Low205 Ų205136.5 Ų136.596%0.95869%0.69SS**  trans-69.668.7167.6-72.2-175.1-39.400110.7Q500Q500-Q502 PolarHBondContact O-N 2.95Å; Q500-Q502 VanDerWaalsContact O-N 3.16Å
503S46.5Very low63.9Low96 Ų96133.3 Ų133.367%0.67167%0.667SS**  trans-145.438.5-176.6690000114.8P501P501-S503 PolarHBondContact O-N 2.94Å
504S47.8Very low66.2Low102 Ų102126.8 Ų126.871%0.71365%0.646SS**  trans-158.885.3148.450.80000109.9S506S504-S506 PolarHBondContact O-N 2.82Å
505Q52.7Low68.5Low201 Ų201123.9 Ų123.994%0.93963%0.631SS**  trans-74.661.4162.3-157.5177.137.400108.3Q507Q505-Q507 PolarHBondContact O-N 3.01Å
506S63.9Low70.8Confident88 Ų88124.1 Ų124.162%0.61562%0.622SS**  trans-57.2122.9179.656.40000107.6S504 Q508S504-S506 PolarHBondContact O-N 2.82Å; S506-Q508 PolarHBondContact O-N 2.91Å
507Q76.1Confident73Confident101 Ų101113.7 Ų113.747%0.47258%0.584SS.*  trans-55108.9179.5-62.8178.5-0.800107.9Q505 R509 K516Q505-Q507 PolarHBondContact O-N 3.01Å; Q507-R509 PolarHBondContact O-N 3.34Å; Q507-R509 VanDerWaalsContact O-N 3.09Å; Q507-K516 HydrophobicContact CB-CD 4.37Å; Q507-K516 HydrophobicContact CB-CG 4.3Å; Q507-K516 HydrophobicContact CG-CD 4.38Å; Q507-K516 VanDerWaalsContact NE2-NZ 3.18Å
508Q90.3Very high75.2Confident80 Ų80110 Ų11037%0.37457%0.566SS.*  trans-61.7121.8179.3-66.9-161.29.600107.2S506 L517S506-Q508 PolarHBondContact O-N 2.91Å; Q508-L517 HydrophobicContact CB-CB 4.48Å; Q508-L517 WeakPolarHBondContact O-CB 3.42Å; Q508-L517 PolarHBondContact O-N 2.78Å
509R96.4Very high77.2Confident133 Ų133104.9 Ų104.950%0.50256%0.562SS.*BIsolated β-bridgetrans-116.3145.3179.3-76.3174.4178.2-98.86.9108.4Q507 K511 G514 C515 K516Q507-R509 PolarHBondContact O-N 3.34Å; Q507-R509 VanDerWaalsContact O-N 3.09Å; R509-K511 PolarHBondContact O-N 2.91Å; R509-G514 WeakPolarHBondContact CB-O 3.2Å; R509-G514 WeakPolarHBondContact CD-O 3.46Å; R509-G514 VanDerWaalsContact CG-O 3.27Å; R509-G514 WeakPolarHBondContact CG-O 3.38Å; R509-G514 PolarHBondContact NH1-O 3.35Å; R509-C515 CarbonylContact C-O 3.58Å; R509-C515 VanDerWaalsContact CA-O 3.25Å; R509-C515 WeakPolarHBondContact CA-O 3.43Å; R509-K516 HydrophobicContact CG-CB 4.48Å
510C96.9Very high79.5Confident2 Ų2100.1 Ų100.11%0.01456%0.555CS.*  trans-59126.2172.1-179.90000109.1V512 C513 G514 C515 L517 T530 C532C510-V512 PolarHBondContact O-N 2.98Å; C510-V512 PolarHBondContact SG-N 2.85Å; C510-C513 VanDerWaalsContact CB-SG 3.51Å; C510-G514 VanDerWaalsContact O-CA 3.31Å; C510-G514 WeakPolarHBondContact O-CA 3.43Å; C510-G514 PolarHBondContact O-N 3.27Å; C510-C515 PolarHBondContact N-O 2.87Å; C510-L517 HydrophobicContact CB-CD1 4.43Å; C510-L517 HydrophobicContact CB-CD2 4.2Å; C510-T530 WeakPolarHBondContact CA-O 3.31Å; C510-C532 HydrophobicContact CB-CB 4.11Å; C510-C532 PolarHBondContact SG-N 2.95Å; C510-C532 VanDerWaalsContact SG-N 3.45Å
511K95.2Very high81.8Confident149 Ų14996.2 Ų96.265%0.64854%0.538SS*.THydrogen-bonded Turntrans-72.3-7.9-179.2-166.4149.2174.3175.90113.7R509 K529 T530R509-K511 PolarHBondContact O-N 2.91Å; K511-K529 HydrophobicContact CB-CB 4.29Å; K511-K529 HydrophobicContact CD-CB 4.06Å; K511-K529 HydrophobicContact CD-CD 4.13Å; K511-K529 HydrophobicContact CD-CG 3.87Å; K511-K529 HydrophobicContact CG-CD 4.41Å; K511-T530 PolarHBondContact N-O 2.81Å
512V95.2Very high84Confident69 Ų6992.6 Ų92.642%0.41852%0.517SS..THydrogen-bonded Turntrans-95.9-47.5174.5-179.20000111.7C510 L531 H535 F540C510-V512 PolarHBondContact O-N 2.98Å; C510-V512 PolarHBondContact SG-N 2.85Å; V512-L531 HydrophobicContact CG2-CD2 3.68Å; V512-H535 HydrophobicContact CB-CB 4.04Å; V512-H535 HydrophobicContact CG1-CB 4.42Å; V512-H535 HydrophobicContact CG2-CB 4.1Å; V512-F540 WeakPolarHBondContact CG2-O 3.16Å
513C96.6Very high86Confident51 Ų5186.5 Ų86.535%0.34549%0.487SS..THydrogen-bonded Turntrans-118.45.2-172.667.80000115.9C510 C515 H535C510-C513 VanDerWaalsContact CB-SG 3.51Å; C513-C515 PolarHBondContact O-N 3.11Å; C513-C515 PolarHBondContact SG-SG 2.88Å; C513-H535 WeakPolarHBondContact CB-CE1 3.3Å; C513-H535 PolarHBondContact SG-CE1 3.04Å; C513-H535 PolarHBondContact SG-ND1 3.14Å
514G96.1Very high88.3Confident36 Ų3691.6 Ų91.637%0.37149%0.492SS..  trans67.7-7.117800000116.5R509 C510 K516R509-G514 WeakPolarHBondContact CB-O 3.2Å; R509-G514 WeakPolarHBondContact CD-O 3.46Å; R509-G514 VanDerWaalsContact CG-O 3.27Å; R509-G514 WeakPolarHBondContact CG-O 3.38Å; R509-G514 PolarHBondContact NH1-O 3.35Å; C510-G514 VanDerWaalsContact O-CA 3.31Å; C510-G514 WeakPolarHBondContact O-CA 3.43Å; C510-G514 PolarHBondContact O-N 3.27Å; G514-K516 PolarHBondContact O-N 3.46Å
515C96Very high90.6Very high69 Ų6987.9 Ų87.947%0.46647%0.465SS..  trans-56.6132.6178.7-64.20000111.4R509 C510 C513 L517R509-C515 CarbonylContact C-O 3.58Å; R509-C515 VanDerWaalsContact CA-O 3.25Å; R509-C515 WeakPolarHBondContact CA-O 3.43Å; C510-C515 PolarHBondContact N-O 2.87Å; C513-C515 PolarHBondContact O-N 3.11Å; C513-C515 PolarHBondContact SG-SG 2.88Å; C515-L517 WeakPolarHBondContact O-CD2 3.47Å
516K96.9Very high92.4Very high129 Ų12989.6 Ų89.656%0.56146%0.463SS*.BIsolated β-bridgetrans-68.4129.9176-178.8175.5176.6177.20110.3Q507 R509 G514Q507-K516 HydrophobicContact CB-CD 4.37Å; Q507-K516 HydrophobicContact CB-CG 4.3Å; Q507-K516 HydrophobicContact CG-CD 4.38Å; Q507-K516 VanDerWaalsContact NE2-NZ 3.18Å; R509-K516 HydrophobicContact CG-CB 4.48Å; G514-K516 PolarHBondContact O-N 3.46Å
517L95.7Very high93.8Very high19 Ų1988 Ų8810%0.09945%0.452CS..  trans-104.8134.6-175.3-48.8179.6000109.9Q508 C510 C515 A522 T530 C532Q508-L517 HydrophobicContact CB-CB 4.48Å; Q508-L517 WeakPolarHBondContact O-CB 3.42Å; Q508-L517 PolarHBondContact O-N 2.78Å; C510-L517 HydrophobicContact CB-CD1 4.43Å; C510-L517 HydrophobicContact CB-CD2 4.2Å; C515-L517 WeakPolarHBondContact O-CD2 3.47Å; L517-A522 HydrophobicContact CB-CB 4.13Å; L517-A522 HydrophobicContact CD1-CB 4.05Å; L517-T530 HydrophobicContact CD1-CG2 3.7Å; L517-C532 HydrophobicContact CD2-CB 3.5Å; L517-C532 VanDerWaalsContact CD2-CB 3.5Å
518A95Very high94.7Very high51 Ų5185.9 Ų85.942%0.42146%0.457SS..  trans-69.2154.5155.700000109.1S520 M521 A522A518-S520 PolarHBondContact O-N 2.9Å; A518-S520 VanDerWaalsContact O-N 3.16Å; A518-M521 HydrophobicContact CB-CG 4.43Å; A518-M521 PolarHBondContact O-N 2.82Å; A518-A522 PolarHBondContact O-N 2.81Å
519V91.3Very high94.9Very high137 Ų13784.9 Ų84.983%0.8345%0.451SS*.G310 helixtrans-56.3-33.2177.5179.60000111.5M521V519-M521 VanDerWaalsContact C-N 3.31Å; V519-M521 PolarHBondContact O-N 2.79Å
520S94Very high94.8Very high110 Ų11079.8 Ų79.877%0.76944%0.435SS*.G310 helixtrans-72.4-13.8175.451.60000115.5A518A518-S520 PolarHBondContact O-N 2.9Å; A518-S520 VanDerWaalsContact O-N 3.16Å
521M93.4Very high94.8Very high90 Ų9079.8 Ų79.844%0.44344%0.435SS..G310 helixtrans-113.86.2-178.2-61-173.277.300113A518 V519 T533A518-M521 HydrophobicContact CB-CG 4.43Å; A518-M521 PolarHBondContact O-N 2.82Å; V519-M521 VanDerWaalsContact C-N 3.31Å; V519-M521 PolarHBondContact O-N 2.79Å; M521-T533 HydrophobicContact CE-CG2 4.2Å
522A95.5Very high94.9Very high27 Ų2773.2 Ų73.222%0.22341%0.407CS..  trans-97.2107-175.400000111.2L517 A518 T530L517-A522 HydrophobicContact CB-CB 4.13Å; L517-A522 HydrophobicContact CD1-CB 4.05Å; A518-A522 PolarHBondContact O-N 2.81Å; A522-T530 HydrophobicContact CB-CG2 3.71Å
523F95.2Very high95Very high77 Ų7773.1 Ų73.134%0.33841%0.407SS..EExtended strand (participates in β ladder)trans-92.6126.9173.6-61.5-90.7000109.4T530 L531 T533 K536F523-T530 CarbonylContact O-C 3.45Å; F523-T530 WeakPolarHBondContact O-CA 3.39Å; F523-L531 HydrophobicContact CB-CB 4.44Å; F523-L531 PolarHBondContact N-O 3.33Å; F523-L531 PolarHBondContact O-N 3.29Å; F523-T533 HydrophobicContact CE2-CG2 3.61Å; F523-T533 HydrophobicContact CZ-CG2 4.17Å; F523-K536 HydrophobicContact CB-CB 4.28Å; F523-K536 HydrophobicContact CD1-CB 4.42Å; F523-K536 HydrophobicContact CD1-CD 4.35Å; F523-K536 HydrophobicContact CD2-CB 4.07Å; F523-K536 HydrophobicContact CE1-CD 4.11Å; F523-K536 HydrophobicContact CE2-CD 4.36Å; F523-K536 HydrophobicContact CG-CB 3.97Å; F523-K536 HydrophobicContact CZ-CD 4.12Å
524R95.1Very high94.9Very high202 Ų20280.5 Ų80.576%0.76243%0.428SS*.EExtended strand (participates in β ladder)trans-91.5116.2170.3-83.1-179.8153-172.6-8109.4
525C94.6Very high94.9Very high24 Ų2480.4 Ų80.416%0.16242%0.417CS..PPolyproline II helixtrans-73.6156.1169-171.20000110.4C527 G528 K529 L531 H541C525-C527 PolarHBondContact O-N 2.74Å; C525-C527 VanDerWaalsContact O-N 3.11Å; C525-G528 PolarHBondContact O-N 3.16Å; C525-K529 PolarHBondContact N-O 3.26Å; C525-L531 HydrophobicContact CB-CD1 3.76Å; C525-H541 PolarHBondContact SG-CE1 3.48Å; C525-H541 PolarHBondContact SG-NE2 3.36Å
526R90.8Very high94.9Very high238 Ų23882.9 Ų82.990%0.89842%0.42SS*.THydrogen-bonded Turntrans-53.2-32.3177.2-81.5-172.8170-168.7-3.8113G528R526-G528 PolarHBondContact O-N 2.93Å; R526-G528 VanDerWaalsContact O-N 3.11Å
527C93.5Very high94.6Very high55 Ų5578.6 Ų78.637%0.37241%0.409SS..THydrogen-bonded Turntrans-78.122.2174.258.80000114.7C525 K529 C543C525-C527 PolarHBondContact O-N 2.74Å; C525-C527 VanDerWaalsContact O-N 3.11Å; C527-K529 PolarHBondContact O-N 2.71Å; C527-C543 HydrophobicContact CB-CB 3.8Å; C527-C543 WeakPolarHBondContact CB-SG 3.47Å; C527-C543 WeakPolarHBondContact SG-CB 3.23Å; C527-C543 CovalentContact SG-SG 2.03Å; C527-C543 PolarHBondContact SG-SG 3.48Å
528G94.2Very high94.1Very high56 Ų5680.4 Ų80.458%0.57742%0.421SS*.SBendtrans70.9-4.9175.700000116.4C525 R526C525-G528 PolarHBondContact O-N 3.16Å; R526-G528 PolarHBondContact O-N 2.93Å; R526-G528 VanDerWaalsContact O-N 3.11Å
529K94.8Very high93.9Very high59 Ų5987.3 Ų87.326%0.25744%0.442SS..  trans-76.2134.3-178.6-54.9-173.9-176.8172.40111K511 C525 C527K511-K529 HydrophobicContact CB-CB 4.29Å; K511-K529 HydrophobicContact CD-CB 4.06Å; K511-K529 HydrophobicContact CD-CD 4.13Å; K511-K529 HydrophobicContact CD-CG 3.87Å; K511-K529 HydrophobicContact CG-CD 4.41Å; C525-K529 PolarHBondContact N-O 3.26Å; C527-K529 PolarHBondContact O-N 2.71Å
530T96.1Very high93.9Very high25 Ų2585.9 Ų85.915%0.15343%0.425CS..EExtended strand (participates in β ladder)trans-88.5136.3172.4-37.50000111.3C510 K511 L517 A522 F523C510-T530 WeakPolarHBondContact CA-O 3.31Å; K511-T530 PolarHBondContact N-O 2.81Å; L517-T530 HydrophobicContact CD1-CG2 3.7Å; A522-T530 HydrophobicContact CB-CG2 3.71Å; F523-T530 CarbonylContact O-C 3.45Å; F523-T530 WeakPolarHBondContact O-CA 3.39Å
531L96.7Very high93.3Very high3 Ų381.8 Ų81.82%0.01639%0.393CS..EExtended strand (participates in β ladder)trans-133.3150.2-171.4-58.1163.4000110.5V512 F523 C525 H535 H541V512-L531 HydrophobicContact CG2-CD2 3.68Å; F523-L531 HydrophobicContact CB-CB 4.44Å; F523-L531 PolarHBondContact N-O 3.33Å; F523-L531 PolarHBondContact O-N 3.29Å; C525-L531 HydrophobicContact CB-CD1 3.76Å; L531-H535 HydrophobicContact CD2-CB 4.37Å; L531-H541 WeakPolarHBondContact CD1-CD2 3.27Å
532C97.2Very high92.7Very high11 Ų1181.2 Ų81.27%0.07440%0.396CS..  trans-81.4169.2168.7670000111.4C510 L517 R534 H535 K536C510-C532 HydrophobicContact CB-CB 4.11Å; C510-C532 PolarHBondContact SG-N 2.95Å; C510-C532 VanDerWaalsContact SG-N 3.45Å; L517-C532 HydrophobicContact CD2-CB 3.5Å; L517-C532 VanDerWaalsContact CD2-CB 3.5Å; C532-R534 PolarHBondContact O-N 3.41Å; C532-R534 VanDerWaalsContact O-N 3.15Å; C532-H535 CarbonylContact O-C 3.58Å; C532-H535 PolarHBondContact O-N 3.46Å; C532-H535 PolarHBondContact SG-ND1 3.49Å; C532-K536 PolarHBondContact O-N 2.93Å
533T95.7Very high92.1Very high66 Ų6681.4 Ų81.441%0.40540%0.396SS..G310 helixtrans-46.8-40.117244.40000114M521 F523 K536M521-T533 HydrophobicContact CE-CG2 4.2Å; F523-T533 HydrophobicContact CE2-CG2 3.61Å; F523-T533 HydrophobicContact CZ-CG2 4.17Å; T533-K536 WeakPolarHBondContact O-CG 3.49Å
534R95.9Very high91Very high207 Ų20782.7 Ų82.778%0.78140%0.402SS*.G310 helixtrans-70.1-34.4179.8-63.5-174.9177.4-178.2-1.8113.4C532 F540C532-R534 PolarHBondContact O-N 3.41Å; C532-R534 VanDerWaalsContact O-N 3.15Å; R534-F540 WeakPolarHBondContact O-CE2 3.4Å
535H96.5Very high89.8Confident34 Ų3479.6 Ų79.616%0.15740%0.396CS..G310 helixtrans-104.813.9-177.1-58.2106.7000113.4V512 C513 L531 C532 A537 F540V512-H535 HydrophobicContact CB-CB 4.04Å; V512-H535 HydrophobicContact CG1-CB 4.42Å; V512-H535 HydrophobicContact CG2-CB 4.1Å; C513-H535 WeakPolarHBondContact CB-CE1 3.3Å; C513-H535 PolarHBondContact SG-CE1 3.04Å; C513-H535 PolarHBondContact SG-ND1 3.14Å; L531-H535 HydrophobicContact CD2-CB 4.37Å; C532-H535 CarbonylContact O-C 3.58Å; C532-H535 PolarHBondContact O-N 3.46Å; C532-H535 PolarHBondContact SG-ND1 3.49Å; H535-A537 PolarHBondContact O-N 3.15Å; H535-F540 HydrophobicContact CB-CB 4.15Å; H535-F540 AromaticContact CD2-CD1 3.91Å; H535-F540 AromaticContact CD2-CG 3.81Å
536K94.6Very high88.2Confident121 Ų12182.1 Ų82.153%0.52641%0.414SS..  trans-70.6-21.7174.582.8178-177.2168.70112.7F523 C532 T533F523-K536 HydrophobicContact CB-CB 4.28Å; F523-K536 HydrophobicContact CD1-CB 4.42Å; F523-K536 HydrophobicContact CD1-CD 4.35Å; F523-K536 HydrophobicContact CD2-CB 4.07Å; F523-K536 HydrophobicContact CE1-CD 4.11Å; F523-K536 HydrophobicContact CE2-CD 4.36Å; F523-K536 HydrophobicContact CG-CB 3.97Å; F523-K536 HydrophobicContact CZ-CD 4.12Å; C532-K536 PolarHBondContact O-N 2.93Å; T533-K536 WeakPolarHBondContact O-CG 3.49Å
537A91.7Very high86.7Confident38 Ų3878.3 Ų78.331%0.31440%0.399SS..SBendtrans-73142.5-175.800000110.3H535 K539 F540H535-A537 PolarHBondContact O-N 3.15Å; A537-K539 PolarHBondContact O-N 2.6Å; A537-F540 HydrophobicContact CB-CD2 3.94Å; A537-F540 HydrophobicContact CB-CE2 4.09Å; A537-F540 PolarHBondContact O-N 3.32Å
538P85.6Confident85Confident57 Ų5778.2 Ų78.237%0.3740%0.399SS..G310 helixtrans-61.5-28.1-168.2-20.831.1000113.9F540 H541 F544P538-F540 PolarHBondContact O-N 2.76Å; P538-F540 VanDerWaalsContact O-N 3.11Å; P538-H541 PolarHBondContact O-N 2.81Å; P538-F544 HydrophobicContact CB-CB 3.55Å; P538-F544 HydrophobicContact CB-CD1 4.12Å; P538-F544 HydrophobicContact CB-CD2 3.27Å; P538-F544 HydrophobicContact CB-CE2 3.95Å; P538-F544 HydrophobicContact CB-CG 3.36Å; P538-F544 HydrophobicContact CG-CD2 3.96Å; P538-F544 HydrophobicContact CG-CE2 4.27Å; P538-F544 HydrophobicContact CG-CG 4.48Å
539K89.7Confident83.4Confident196 Ų19678.4 Ų78.485%0.85240%0.396SS*.G310 helixtrans-59.3-17.6176.9-58.7-174.1179.8-175.40114.7A537A537-K539 PolarHBondContact O-N 2.6Å
540F91Very high81.7Confident108 Ų10882.1 Ų82.147%0.47442%0.417SS..G310 helixtrans-98.66.4-178.3-61.3-68.1000114.2V512 R534 H535 A537 P538V512-F540 WeakPolarHBondContact CG2-O 3.16Å; R534-F540 WeakPolarHBondContact O-CE2 3.4Å; H535-F540 HydrophobicContact CB-CB 4.15Å; H535-F540 AromaticContact CD2-CD1 3.91Å; H535-F540 AromaticContact CD2-CG 3.81Å; A537-F540 HydrophobicContact CB-CD2 3.94Å; A537-F540 HydrophobicContact CB-CE2 4.09Å; A537-F540 PolarHBondContact O-N 3.32Å; P538-F540 PolarHBondContact O-N 2.76Å; P538-F540 VanDerWaalsContact O-N 3.11Å
541H82.2Confident80.1Confident23 Ų2387 Ų8711%0.10644%0.438CS..SBendtrans-151.2143.8174.758.458.6000112.7C525 L531 P538 C543C525-H541 PolarHBondContact SG-CE1 3.48Å; C525-H541 PolarHBondContact SG-NE2 3.36Å; L531-H541 WeakPolarHBondContact CD1-CD2 3.27Å; P538-H541 PolarHBondContact O-N 2.81Å; H541-C543 PolarHBondContact O-N 3.08Å
542P80.7Confident78.3Confident78 Ų7892.6 Ų92.651%0.50647%0.472SS..THydrogen-bonded Turntrans-64.2-10.8-174.625-35.9000114.7F544 E545P542-F544 PolarHBondContact O-N 3.35Å; P542-E545 PolarHBondContact O-N 3.01Å
543C83Confident76.3Confident32 Ų32102.9 Ų102.922%0.21651%0.51CS..THydrogen-bonded Turntrans-70.66.9-178-38.40000114.1C527 H541C527-C543 HydrophobicContact CB-CB 3.8Å; C527-C543 WeakPolarHBondContact CB-SG 3.47Å; C527-C543 WeakPolarHBondContact SG-CB 3.23Å; C527-C543 CovalentContact SG-SG 2.03Å; C527-C543 PolarHBondContact SG-SG 3.48Å; H541-C543 PolarHBondContact O-N 3.08Å
544F71.9Confident74.4Confident103 Ų103103.6 Ų103.645%0.45252%0.517SS..THydrogen-bonded Turntrans-98.7-44.9172.3-175.1-113000112.6P538 P542 S546 R547 S548P538-F544 HydrophobicContact CB-CB 3.55Å; P538-F544 HydrophobicContact CB-CD1 4.12Å; P538-F544 HydrophobicContact CB-CD2 3.27Å; P538-F544 HydrophobicContact CB-CE2 3.95Å; P538-F544 HydrophobicContact CB-CG 3.36Å; P538-F544 HydrophobicContact CG-CD2 3.96Å; P538-F544 HydrophobicContact CG-CE2 4.27Å; P538-F544 HydrophobicContact CG-CG 4.48Å; P542-F544 PolarHBondContact O-N 3.35Å; F544-S546 PolarHBondContact O-N 2.97Å; F544-R547 PolarHBondContact O-N 3.45Å; F544-S548 PolarHBondContact O-N 3.17Å
545E68.8Low72.5Confident138 Ų138102.1 Ų102.165%0.64552%0.517SS*.Hα-helixtrans-59.1-34.3-178-68172.316300111.6P542 R547 S548 A549P542-E545 PolarHBondContact O-N 3.01Å; E545-R547 PolarHBondContact O-N 3.49Å; E545-R547 VanDerWaalsContact O-N 3.09Å; E545-S548 PolarHBondContact O-N 3.42Å; E545-S548 PolarHBondContact O-OG 2.82Å; E545-A549 WeakPolarHBondContact O-CB 3.39Å; E545-A549 PolarHBondContact O-N 3.19Å
546S62Low70.7Confident76 Ų76105.7 Ų105.753%0.53154%0.543SS..Hα-helixtrans-64.4-7.9174.1580000115F544F544-S546 PolarHBondContact O-N 2.97Å
547R59.1Low68.7Low158 Ų158103.9 Ų103.960%0.59655%0.551SS**Hα-helixtrans-103-46.9173-155.8177.4-171.9-162.3-3.8111.8F544 E545 A549 L550 E551F544-R547 PolarHBondContact O-N 3.45Å; E545-R547 PolarHBondContact O-N 3.49Å; E545-R547 VanDerWaalsContact O-N 3.09Å; R547-A549 VanDerWaalsContact C-N 3.27Å; R547-A549 PolarHBondContact O-N 2.95Å; R547-L550 PolarHBondContact O-N 2.78Å; R547-E551 PolarHBondContact O-N 2.76Å
548S58.7Low67.1Low54 Ų54109.1 Ų109.138%0.37857%0.573SS.*Hα-helixtrans-62.7-32.517549.70000112.8F544 E545 L550 V552F544-S548 PolarHBondContact O-N 3.17Å; E545-S548 PolarHBondContact O-N 3.42Å; E545-S548 PolarHBondContact O-OG 2.82Å; S548-L550 VanDerWaalsContact C-N 3.32Å; S548-V552 WeakPolarHBondContact O-CG2 3.06Å; S548-V552 PolarHBondContact O-N 3.07Å
549A60Low65.7Low60 Ų60113.9 Ų113.950%0.49660%0.596SS.*Hα-helixtrans-74.5-18.3174.200000114.3E545 R547E545-A549 WeakPolarHBondContact O-CB 3.39Å; E545-A549 PolarHBondContact O-N 3.19Å; R547-A549 VanDerWaalsContact C-N 3.27Å; R547-A549 PolarHBondContact O-N 2.95Å
550L59.8Low64.2Low136 Ų136108.9 Ų108.971%0.71259%0.591SS**Hα-helixtrans-88.4-35.5176.9-125.8112.4000111.6R547 S548 R553R547-L550 PolarHBondContact O-N 2.78Å; S548-L550 VanDerWaalsContact C-N 3.32Å; L550-R553 PolarHBondContact O-N 3.05Å
551E61.6Low62.2Low128 Ų128107.2 Ų107.260%0.59860%0.604SS**Hα-helixtrans-78.3-23.5-176.4-156.9155.3-165.500112.9R547 S554R547-E551 PolarHBondContact O-N 2.76Å; E551-S554 PolarHBondContact O-OG 3.44Å
552V58.3Low61.4Low120 Ų120112 Ų11273%0.72764%0.637SS**THydrogen-bonded Turntrans-85.2-10.8175.1176.50000113S548S548-V552 WeakPolarHBondContact O-CG2 3.06Å; S548-V552 PolarHBondContact O-N 3.07Å
553R56.3Low60.3Low227 Ų227113.9 Ų113.986%0.85765%0.653SS**THydrogen-bonded Turntrans-965-178.8-83.2-173.8168.2-178.2-3.5115.1L550L550-R553 PolarHBondContact O-N 3.05Å
554S54.3Low59.3Low81 Ų81117.7 Ų117.757%0.56668%0.679SS**  trans-114.453.1179.555.70000112.8E551E551-S554 PolarHBondContact O-OG 3.44Å
555F55.8Low58.5Low177 Ų177120.1 Ų120.178%0.77670%0.697SS**  trans-133.8115.7160.7-77.7-78.3000109.2A557F555-A557 PolarHBondContact O-N 2.92Å
556P59.6Low58.4Low108 Ų108119.1 Ų119.170%0.70171%0.706SS**  trans-67122.6168.827.8-31.5000108.9N558P556-N558 PolarHBondContact O-N 2.87Å
557A53.4Low58.3Low83 Ų83123 Ų12369%0.68672%0.72SS**  trans-73.689.5177.600000110.2F555 N559F555-A557 PolarHBondContact O-N 2.92Å; A557-N559 PolarHBondContact O-N 3.33Å
558N58Low58.3Low148 Ų148127 Ų12779%0.79174%0.735SS**  trans-71.277169.5-80.3-11000110.4P556 A560P556-N558 PolarHBondContact O-N 2.87Å; N558-A560 VanDerWaalsContact C-N 3.3Å; N558-A560 PolarHBondContact O-N 3.39Å
559N54.7Low58.6Low158 Ų158132.6 Ų132.685%0.84576%0.76SS**  trans-75.381.1168.5-74.5-32000109.9A557A557-N559 PolarHBondContact O-N 3.33Å
560A58.3Low59.2Low90 Ų90135.8 Ų135.874%0.74478%0.776SS**  trans-119.792.7168.600000108.8N558 P562N558-A560 VanDerWaalsContact C-N 3.3Å; N558-A560 PolarHBondContact O-N 3.39Å; A560-P562 WeakPolarHBondContact O-CD 3.34Å
561G48.9Very low59.2Low74 Ų74132.2 Ų132.276%0.76377%0.772SS**  trans-80.4126.6-179.400000112.2S563G561-S563 PolarHBondContact O-N 3.07Å
562P67.2Low59.7Low122 Ų122132.4 Ų132.479%0.79278%0.784SS**  trans-81.1112.9164.931.1-29.6000109.5A560A560-P562 WeakPolarHBondContact O-CD 3.34Å
563S56.5Low60Low119 Ų119134.7 Ų134.783%0.83279%0.79SS**  trans-81.4117.9163.645.20000108.7G561G561-S563 PolarHBondContact O-N 3.07Å
564S62.3Low60.6Low111 Ų111132.9 Ų132.978%0.77681%0.813SS**  trans-138.5101.8170.4-75.50000110.5
565D55.9Low60.9Low154 Ų154135.5 Ų135.582%0.82483%0.825SS**  trans-45.9135.3156.9-95.3-54.9000111.4
566S65.9Low61.2Low118 Ų118133.3 Ų133.383%0.82583%0.828SS**  trans-16663.1159.1-82.30000112R568S566-R568 PolarHBondContact O-N 3.13Å
567D60.3Low61.3Low156 Ų156134.7 Ų134.783%0.83484%0.835SS**  trans-68110.1158.6-91.4-35.8000109.9
568R58Low61.8Low243 Ų243137.8 Ų137.892%0.91784%0.844SS**  trans-161.9103.3158.9-112.8165.9-165-1452.2112.6S566S566-R568 PolarHBondContact O-N 3.13Å
569L64.8Low62Low172 Ų172137.1 Ų137.190%0.90185%0.847SS**PPolyproline II helixtrans-73.1135.1168.4-64.7169.3000110.7
570P74.3Confident62.5Low126 Ų126135.7 Ų135.782%0.81885%0.847SS**PPolyproline II helixtrans-83.5120.3162.131.5-29.1000110.1
571G58.2Low62.8Low61 Ų61139 Ų13963%0.62985%0.854SS**PPolyproline II helixtrans-77.2153.7168.700000111.9
572P72.6Confident63.9Low133 Ų133144 Ų14486%0.86486%0.861SS**PPolyproline II helixtrans-74.4143.2177.231.7-34.4000111.4
573I64.2Low63.6Low167 Ų167145.8 Ų145.886%0.85687%0.867SS**  trans-105.2143.5166.2-57.3174.8000107.2
574S70Confident64.2Low190 Ų190148.3 Ų148.3100%1.32987%0.87SS**  trans-64.20-176.5-54.60000114.9

Retrieved 574 of 574 residues in 109.9 ms (Link to these results)

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