A0A087XQ38_POEFO Loading...

Zinc finger CCHC domain-containing protein 17

AlphaFold DB , UniProt , Accession A0A087XQ38, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 248 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
1M51.8Low51Low239 Ų239149.2 Ų149.2100%1.17782%0.82SS**  0890-74.4154.615500106.7
2S52.7Low51.5Low117 Ų117144.3 Ų144.382%0.81881%0.814SS**  trans-88109.7-173.7-44.30000108.4R4S2-R4 PolarHBondContact O-N 3.2Å; S2-R4 VanDerWaalsContact O-N 3.15Å
3D52.4Low51.7Low162 Ų162136.3 Ų136.387%0.86678%0.783SS**  trans-58.4115.5173.2-118.9-94.1000109.1G5D3-G5 VanDerWaalsContact C-N 3.28Å; D3-G5 PolarHBondContact O-N 3.24Å
4R53.6Low52.1Low239 Ų239139.6 Ų139.690%0.90280%0.796SS**  trans-70.488.9174.9-68.6178.7178.8-176.6-1.1107.4S2 G6S2-R4 PolarHBondContact O-N 3.2Å; S2-R4 VanDerWaalsContact O-N 3.15Å; R4-G6 PolarHBondContact O-N 3.4Å
5G47.9Very low53.2Low77 Ų77138 Ų13879%0.79478%0.784SS**  trans-47.6112.5175.200000110.8D3D3-G5 VanDerWaalsContact C-N 3.28Å; D3-G5 PolarHBondContact O-N 3.24Å
6G45.9Very low54.7Low68 Ų68131.8 Ų131.870%0.70176%0.759SS**  trans-57.3142-166.100000114.3R4 G8R4-G6 PolarHBondContact O-N 3.4Å; G6-G8 PolarHBondContact O-N 3.48Å
7H42.6Very low56.4Low185 Ų185124.6 Ų124.686%0.85672%0.718SS**  trans-36117.6168.2-61.8-83.1000112.2R9H7-R9 PolarHBondContact O-N 3.4Å
8G44.9Very low57.9Low75 Ų75117.8 Ų117.877%0.77368%0.679SS**  trans-55.7103.8160.800000107.8G6 E10G6-G8 PolarHBondContact O-N 3.48Å; G8-E10 VanDerWaalsContact C-N 3.35Å; G8-E10 PolarHBondContact O-N 3.46Å
9R54.1Low59.5Low240 Ų240114.9 Ų114.991%0.90666%0.664SS**  trans-59.4103.7169.5-83.1178.5163.5-176.7-4.7106.4H7H7-R9 PolarHBondContact O-N 3.4Å
10E57.7Low60.9Low179 Ų179113.2 Ų113.284%0.83665%0.652SS**  trans-48.1127.1165.4-94.6-15591.300108G8 A12G8-E10 VanDerWaalsContact C-N 3.35Å; G8-E10 PolarHBondContact O-N 3.46Å; E10-A12 VanDerWaalsContact C-N 3.35Å; E10-A12 PolarHBondContact O-N 3.34Å
11P57.3Low62.3Low60 Ų60111.8 Ų111.839%0.3964%0.64SS.*  trans-70.498.117823.8-28.2000109.7G13 Y43P11-G13 PolarHBondContact O-N 3.25Å; P11-Y43 HydrophobicContact CB-CE1 4.04Å; P11-Y43 HydrophobicContact CB-CE2 4.38Å; P11-Y43 WeakPolarHBondContact CB-OH 3.39Å; P11-Y43 HydrophobicContact CG-CE1 4.16Å; P11-Y43 HydrophobicContact CG-CE2 4.31Å
12A56.6Low64.1Low91 Ų91101.8 Ų101.875%0.75259%0.593SS**  trans-58.5124.3175.300000112.2E10E10-A12 VanDerWaalsContact C-N 3.35Å; E10-A12 PolarHBondContact O-N 3.34Å
13G54.2Low66Low40 Ų4098.7 Ų98.741%0.41257%0.567SS.*  trans-170.9131.516200000107.7P11 D15 G16P11-G13 PolarHBondContact O-N 3.25Å; G13-D15 PolarHBondContact O-N 3.27Å; G13-G16 PolarHBondContact O-N 3.34Å; G13-G16 VanDerWaalsContact O-N 3.07Å
14L58Low67.9Low183 Ų18391.8 Ų91.896%0.95853%0.533SS*.THydrogen-bonded Turntrans-54.3-12.5-172.6-73.1152.9000115
15D68.8Low69.7Low115 Ų11585.1 Ų85.162%0.61551%0.51SS*.THydrogen-bonded Turntrans-126.412-175.8-56.9-70.1000114.3G13 L17G13-D15 PolarHBondContact O-N 3.27Å; D15-L17 VanDerWaalsContact C-N 3.33Å; D15-L17 HydrophobicContact CB-CD1 3.75Å; D15-L17 PolarHBondContact O-N 3.17Å
16G77.3Confident71.9Confident38 Ų3881.5 Ų81.539%0.39247%0.473SS..SBendtrans64.339.4-177.400000112.8G13 Y43G13-G16 PolarHBondContact O-N 3.34Å; G13-G16 VanDerWaalsContact O-N 3.07Å; G16-Y43 WeakPolarHBondContact O-CD1 3.42Å
17L82.2Confident74.3Confident11 Ų1182 Ų826%0.05846%0.457CS..  trans-125.2144178.7-87.8128.3000110.1D15 V86 M88D15-L17 VanDerWaalsContact C-N 3.33Å; D15-L17 HydrophobicContact CB-CD1 3.75Å; D15-L17 PolarHBondContact O-N 3.17Å; L17-V86 HydrophobicContact CD1-CG1 4.2Å; L17-V86 HydrophobicContact CD2-CG1 3.52Å; L17-V86 HydrophobicContact CG-CG1 4.41Å; L17-M88 HydrophobicContact CD2-CE 4.09Å; L17-M88 HydrophobicContact CD2-CG 4.03Å; L17-M88 HydrophobicContact CD2-SD 3.66Å
18P84.8Confident76.8Confident1 Ų173.2 Ų73.21%0.00642%0.416CS..PPolyproline II helixtrans-66.4150.2177.227.2-34.1000111.4L40 Y43 V76 M88P18-L40 HydrophobicContact CG-CD1 3.98Å; P18-Y43 VanDerWaalsContact CA-CE1 3.48Å; P18-Y43 WeakPolarHBondContact CA-OH 3.5Å; P18-Y43 HydrophobicContact CB-CE1 3.88Å; P18-Y43 HydrophobicContact CB-CE2 4.05Å; P18-Y43 WeakPolarHBondContact CB-OH 3.41Å; P18-Y43 VanDerWaalsContact CD-CD1 3.5Å; P18-Y43 HydrophobicContact CG-CE1 4.33Å; P18-V76 HydrophobicContact CB-CG2 4.01Å; P18-V76 HydrophobicContact CG-CG2 3.91Å; P18-M88 HydrophobicContact CG-CE 3.25Å
19P87.2Confident79.2Confident63 Ų6372.4 Ų72.441%0.40940%0.396SS..PPolyproline II helixtrans-62.6154.8171.616.1-16.6000111.5S22P19-S22 PolarHBondContact O-N 3.22Å; P19-S22 PolarHBondContact O-OG 2.79Å
20L88.8Confident81.1Confident81 Ų8163.2 Ų63.242%0.42437%0.369SS..THydrogen-bonded Turntrans-63.9142.9173.8-72.5171.7000110S22 V76 R79L20-S22 PolarHBondContact O-N 3.42Å; L20-S22 VanDerWaalsContact O-N 3.16Å; L20-V76 HydrophobicContact CD2-CG1 4.41Å; L20-R79 HydrophobicContact CD2-CB 4.12Å; L20-R79 HydrophobicContact CD2-CG 3.81Å; L20-R79 HydrophobicContact CG-CG 4.29Å
21H89.7Confident82.9Confident84 Ų8456 Ų5639%0.38934%0.337SS..THydrogen-bonded Turntrans63.59.3-180-46.2-59.3000115.9V76 N107H21-V76 WeakPolarHBondContact CA-O 3.33Å; H21-V76 PolarHBondContact N-O 3.1Å; H21-N107 PolarHBondContact ND1-ND2 2.93Å; H21-N107 PolarHBondContact ND1-OD1 3.17Å
22S90.3Very high84.7Confident28 Ų2856.8 Ų56.820%0.19634%0.335CS..  trans-72.6146.9172.166.10000111.5P19 L20 K75 V76P19-S22 PolarHBondContact O-N 3.22Å; P19-S22 PolarHBondContact O-OG 2.79Å; L20-S22 PolarHBondContact O-N 3.42Å; L20-S22 VanDerWaalsContact O-N 3.16Å; S22-K75 WeakPolarHBondContact O-CA 3.46Å; S22-V76 PolarHBondContact O-N 3.47Å
23I91.4Very high86.3Confident52 Ų5256.7 Ų56.727%0.26733%0.329SS..EExtended strand (participates in β ladder)trans-95132.9169.9-63.5173.8000108.5W73 I74 K75 V95 D102I23-W73 HydrophobicContact CG2-CE3 3.75Å; I23-W73 HydrophobicContact CG2-CZ3 4.24Å; I23-I74 WeakPolarHBondContact CA-O 3.34Å; I23-K75 HydrophobicContact CG1-CB 4.38Å; I23-K75 HydrophobicContact CG1-CG 4.43Å; I23-V95 HydrophobicContact CD1-CG1 4.21Å; I23-V95 HydrophobicContact CD1-CG2 4.08Å; I23-V95 HydrophobicContact CG1-CG2 3.97Å; I23-V95 HydrophobicContact CG2-CG1 3.89Å; I23-V95 HydrophobicContact CG2-CG2 4.31Å; I23-D102 HydrophobicContact CD1-CB 3.48Å; I23-D102 VanDerWaalsContact CD1-CB 3.48Å
24A91.7Very high88Confident18 Ų1859.2 Ų59.215%0.14933%0.327CS..EExtended strand (participates in β ladder)trans-141.3153.817600000110.2L40 I74A24-L40 HydrophobicContact CB-CD1 4.35Å; A24-L40 HydrophobicContact CB-CD2 3.57Å; A24-I74 PolarHBondContact N-O 2.83Å; A24-I74 WeakPolarHBondContact O-CG1 3.44Å; A24-I74 PolarHBondContact O-N 2.93Å
25K93.1Very high89.7Confident99 Ų9950.5 Ų50.543%0.4328%0.281SS..EExtended strand (participates in β ladder)trans-91.4126.6172.1-165.6176.3-174.9-178.20108.3P41 V72 W73K25-P41 WeakPolarHBondContact O-CD 3.33Å; K25-V72 WeakPolarHBondContact CA-O 3.37Å; K25-W73 HydrophobicContact CB-CD2 4.28Å; K25-W73 HydrophobicContact CB-CE3 4.07Å; K25-W73 HydrophobicContact CB-CH2 4.29Å; K25-W73 HydrophobicContact CB-CZ2 4.48Å; K25-W73 HydrophobicContact CB-CZ3 4.08Å; K25-W73 HydrophobicContact CD-CZ2 4.13Å; K25-W73 HydrophobicContact CG-CD2 4.41Å
26G94.1Very high90.9Very high1 Ų145 Ų451%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-128.7162.8-179.400000112.4R39 H71 V72G26-R39 CarbonylContact C-O 3.59Å; G26-R39 VanDerWaalsContact CA-O 3.23Å; G26-R39 WeakPolarHBondContact CA-O 3.47Å; G26-H71 CarbonylContact O-C 3.52Å; G26-H71 VanDerWaalsContact O-CA 3.3Å; G26-H71 WeakPolarHBondContact O-CA 3.49Å; G26-V72 PolarHBondContact N-O 2.91Å; G26-V72 PolarHBondContact O-N 3.39Å
27E95.4Very high91.8Very high77 Ų7745.5 Ų45.536%0.3624%0.243SC..EExtended strand (participates in β ladder)trans-104.4134.8176-174.6-171.7170.400109.8V29 V38 R39 E70E27-V29 PolarHBondContact O-N 2.91Å; E27-V38 CarbonylContact O-C 3.52Å; E27-V38 WeakPolarHBondContact O-CA 3.3Å; E27-R39 PolarHBondContact N-O 2.9Å; E27-R39 PolarHBondContact O-N 3.15Å; E27-E70 WeakPolarHBondContact CA-O 3.38Å
28V96Very high92.4Very high1 Ų145 Ų451%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-75116.9175.7-179.10000109.7V31 A36 V38 V66 D67 G69 E70 V72V28-V31 HydrophobicContact CG1-CG2 3.64Å; V28-A36 HydrophobicContact CG1-CB 4.42Å; V28-V38 HydrophobicContact CG2-CG2 4.28Å; V28-V66 HydrophobicContact CG1-CG2 4.41Å; V28-V66 HydrophobicContact CG2-CB 4.35Å; V28-V66 HydrophobicContact CG2-CG2 4.46Å; V28-D67 WeakPolarHBondContact CB-O 3.48Å; V28-G69 PolarHBondContact O-N 2.91Å; V28-E70 HydrophobicContact CG2-CB 4.46Å; V28-E70 PolarHBondContact N-O 3.28Å; V28-V72 HydrophobicContact CG2-CG1 4.35Å; V28-V72 HydrophobicContact CG2-CG2 4.03Å
29V95.2Very high92.8Very high58 Ų5851.4 Ų51.435%0.35227%0.265SS..EExtended strand (participates in β ladder)trans-89.1-40179.5179.40000111.5E27 F37 R39 V68E27-V29 PolarHBondContact O-N 2.91Å; V29-F37 PolarHBondContact N-O 3.05Å; V29-R39 HydrophobicContact CG2-CB 3.47Å; V29-R39 VanDerWaalsContact CG2-CB 3.47Å; V29-V68 WeakPolarHBondContact O-CG1 3.09Å
30S94.6Very high93Very high47 Ų4748.4 Ų48.433%0.32925%0.245SC..EExtended strand (participates in β ladder)trans-154.7141.9-176.4-173.90000110.7F37S30-F37 PolarHBondContact O-N 2.9Å
31V94.7Very high93Very high28 Ų2849.1 Ų49.117%0.1726%0.255CS..EExtended strand (participates in β ladder)trans-113.8131.1177.5-173.80000108.9V28 A36 A62 V66 V68V28-V31 HydrophobicContact CG1-CG2 3.64Å; V31-A36 HydrophobicContact CG2-CB 4.45Å; V31-A62 HydrophobicContact CG1-CB 3.6Å; V31-V66 HydrophobicContact CG1-CG2 4.49Å; V31-V66 HydrophobicContact CG2-CG2 3.9Å; V31-V68 HydrophobicContact CG2-CG2 4.07Å
32Q94.1Very high92.8Very high77 Ų7748.6 Ų48.636%0.3627%0.272SS..EExtended strand (participates in β ladder)trans-124.8164.3176.1-59.2-1666.500109.8Y34 G35 F37 A62Q32-Y34 HydrophobicContact CB-CD1 4.13Å; Q32-Y34 HydrophobicContact CB-CE1 3.84Å; Q32-Y34 HydrophobicContact CG-CE1 4.45Å; Q32-Y34 PolarHBondContact O-N 3.44Å; Q32-Y34 PolarHBondContact OE1-OH 3.49Å; Q32-G35 CarbonylContact C-O 3.44Å; Q32-G35 WeakPolarHBondContact CA-O 3.39Å; Q32-G35 PolarHBondContact N-O 3.37Å; Q32-G35 PolarHBondContact O-N 2.85Å; Q32-G35 VanDerWaalsContact O-N 3.1Å; Q32-F37 HydrophobicContact CG-CD2 4.46Å; Q32-F37 HydrophobicContact CG-CE2 4.11Å; Q32-A62 WeakPolarHBondContact O-CB 3.38Å
33S90.8Very high92.5Very high88 Ų8848.5 Ų48.562%0.61527%0.268SS*.THydrogen-bonded Turntrans-60.5-30.5-177.352.30000113.7
34Y90.3Very high92.1Very high93 Ų9355.9 Ų55.937%0.36530%0.298SS..THydrogen-bonded Turntrans-88.7-10.9178.563.3-96.6000114.2Q32 F37 L48 V51Q32-Y34 HydrophobicContact CB-CD1 4.13Å; Q32-Y34 HydrophobicContact CB-CE1 3.84Å; Q32-Y34 HydrophobicContact CG-CE1 4.45Å; Q32-Y34 PolarHBondContact O-N 3.44Å; Q32-Y34 PolarHBondContact OE1-OH 3.49Å; Y34-F37 HydrophobicContact CE2-CE2 4.5Å; Y34-F37 HydrophobicContact CE2-CZ 4.48Å; Y34-F37 WeakPolarHBondContact OH-CE2 3.38Å; Y34-F37 WeakPolarHBondContact OH-CZ 3.36Å; Y34-L48 HydrophobicContact CD2-CD1 4.14Å; Y34-L48 HydrophobicContact CD2-CD2 4.2Å; Y34-L48 HydrophobicContact CE2-CD1 3.57Å; Y34-L48 HydrophobicContact CE2-CD2 3.77Å; Y34-L48 HydrophobicContact CE2-CG 4.32Å; Y34-V51 PolarHBondContact O-N 2.79Å
35G93.3Very high92Very high0 Ų059.3 Ų59.30%031%0.309CS..EExtended strand (participates in β ladder)trans165-179.6-173.700000115.1Q32 V49Q32-G35 CarbonylContact C-O 3.44Å; Q32-G35 WeakPolarHBondContact CA-O 3.39Å; Q32-G35 PolarHBondContact N-O 3.37Å; Q32-G35 PolarHBondContact O-N 2.85Å; Q32-G35 VanDerWaalsContact O-N 3.1Å; G35-V49 CarbonylContact C-O 3.57Å; G35-V49 WeakPolarHBondContact CA-O 3.23Å
36A95.1Very high91.9Very high1 Ų159.1 Ų59.11%0.00831%0.31CS..EExtended strand (participates in β ladder)trans-119.2139.7-179.200000111.4V28 V31 V49 M54 V66V28-A36 HydrophobicContact CG1-CB 4.42Å; V31-A36 HydrophobicContact CG2-CB 4.45Å; A36-V49 PolarHBondContact N-O 2.8Å; A36-V49 PolarHBondContact O-N 2.9Å; A36-M54 HydrophobicContact CB-CE 4.22Å; A36-V66 HydrophobicContact CB-CG2 4Å
37F95.6Very high91.9Very high48 Ų4859.1 Ų59.121%0.21131%0.31CS..EExtended strand (participates in β ladder)trans-90.8121.8173.1-71.3-85.9000109.5V29 S30 Q32 Y34 G47 L48V29-F37 PolarHBondContact N-O 3.05Å; S30-F37 PolarHBondContact O-N 2.9Å; Q32-F37 HydrophobicContact CG-CD2 4.46Å; Q32-F37 HydrophobicContact CG-CE2 4.11Å; Y34-F37 HydrophobicContact CE2-CE2 4.5Å; Y34-F37 HydrophobicContact CE2-CZ 4.48Å; Y34-F37 WeakPolarHBondContact OH-CE2 3.38Å; Y34-F37 WeakPolarHBondContact OH-CZ 3.36Å; F37-G47 WeakPolarHBondContact CA-O 3.19Å; F37-L48 HydrophobicContact CD1-CD1 4.37Å; F37-L48 HydrophobicContact CD2-CD1 4.39Å; F37-L48 HydrophobicContact CE1-CB 4.36Å; F37-L48 HydrophobicContact CE1-CD1 4.07Å; F37-L48 HydrophobicContact CE2-CD1 4.07Å; F37-L48 HydrophobicContact CZ-CD1 3.91Å
38V95.1Very high91.8Very high0 Ų058 Ų580%031%0.306CS..EExtended strand (participates in β ladder)trans-116.5128.8-178.5-178.20000109.1E27 V28 G47 V49 V72 I74 F90E27-V38 CarbonylContact O-C 3.52Å; E27-V38 WeakPolarHBondContact O-CA 3.3Å; V28-V38 HydrophobicContact CG2-CG2 4.28Å; V38-G47 PolarHBondContact N-O 2.86Å; V38-G47 PolarHBondContact O-N 3.32Å; V38-V49 HydrophobicContact CG2-CG2 3.79Å; V38-V72 HydrophobicContact CG1-CG2 4.31Å; V38-V72 HydrophobicContact CG2-CG2 4.21Å; V38-I74 HydrophobicContact CB-CD1 4.45Å; V38-I74 HydrophobicContact CG1-CD1 4Å; V38-I74 HydrophobicContact CG1-CG1 4.49Å; V38-F90 HydrophobicContact CB-CD2 4.3Å; V38-F90 HydrophobicContact CB-CE2 4.45Å
39R93.4Very high91.8Very high135 Ų13557.9 Ų57.951%0.50931%0.306SS..EExtended strand (participates in β ladder)trans-96.7129.2173-178.5176.1-179.2-133.12109.3G26 E27 V29 E46G26-R39 CarbonylContact C-O 3.59Å; G26-R39 VanDerWaalsContact CA-O 3.23Å; G26-R39 WeakPolarHBondContact CA-O 3.47Å; E27-R39 PolarHBondContact N-O 2.9Å; E27-R39 PolarHBondContact O-N 3.15Å; V29-R39 HydrophobicContact CG2-CB 3.47Å; V29-R39 VanDerWaalsContact CG2-CB 3.47Å; R39-E46 HydrophobicContact CB-CG 4.3Å
40L91.3Very high91.7Very high1 Ų158.5 Ų58.51%0.00531%0.305CS..PPolyproline II helixtrans-95.2134.6175.2-69.3173.5000110.3P18 A24 G42 Y43 I74 F90P18-L40 HydrophobicContact CG-CD1 3.98Å; A24-L40 HydrophobicContact CB-CD1 4.35Å; A24-L40 HydrophobicContact CB-CD2 3.57Å; L40-G42 PolarHBondContact O-N 3.4Å; L40-Y43 HydrophobicContact CB-CD2 3.47Å; L40-Y43 VanDerWaalsContact CB-CD2 3.47Å; L40-Y43 HydrophobicContact CB-CE2 4.2Å; L40-Y43 HydrophobicContact CB-CG 4.3Å; L40-Y43 HydrophobicContact CD1-CD2 4.14Å; L40-Y43 HydrophobicContact CD1-CE2 4.35Å; L40-Y43 HydrophobicContact CG-CD2 4.46Å; L40-Y43 PolarHBondContact O-N 2.85Å; L40-I74 HydrophobicContact CD1-CD1 4.23Å; L40-I74 HydrophobicContact CD2-CD1 3.62Å; L40-I74 HydrophobicContact CD2-CG1 3.96Å; L40-I74 HydrophobicContact CG-CD1 4.06Å; L40-F90 HydrophobicContact CD1-CE1 3.95Å; L40-F90 HydrophobicContact CD1-CE2 4.41Å; L40-F90 HydrophobicContact CD1-CZ 3.57Å; L40-F90 HydrophobicContact CG-CZ 4.13Å
41P88.6Confident91.6Very high96 Ų9657 Ų5762%0.62329%0.294SS*.THydrogen-bonded Turntrans-64.4133.817528.1-33000109.9K25 Y43K25-P41 WeakPolarHBondContact O-CD 3.33Å; P41-Y43 VanDerWaalsContact C-N 3.34Å; P41-Y43 WeakPolarHBondContact O-CD2 3.25Å
42G84.5Confident91.4Very high73 Ų7357.3 Ų57.375%0.75330%0.297SS*.THydrogen-bonded Turntrans87.3-6.6-178.200000115.2L40L40-G42 PolarHBondContact O-N 3.4Å
43Y84.9Confident91.3Very high26 Ų2653.9 Ų53.910%0.10228%0.281CS..  trans-115142.7177.7-55.7-79.2000111.2P11 G16 P18 L40 P41P11-Y43 HydrophobicContact CB-CE1 4.04Å; P11-Y43 HydrophobicContact CB-CE2 4.38Å; P11-Y43 WeakPolarHBondContact CB-OH 3.39Å; P11-Y43 HydrophobicContact CG-CE1 4.16Å; P11-Y43 HydrophobicContact CG-CE2 4.31Å; G16-Y43 WeakPolarHBondContact O-CD1 3.42Å; P18-Y43 VanDerWaalsContact CA-CE1 3.48Å; P18-Y43 WeakPolarHBondContact CA-OH 3.5Å; P18-Y43 HydrophobicContact CB-CE1 3.88Å; P18-Y43 HydrophobicContact CB-CE2 4.05Å; P18-Y43 WeakPolarHBondContact CB-OH 3.41Å; P18-Y43 VanDerWaalsContact CD-CD1 3.5Å; P18-Y43 HydrophobicContact CG-CE1 4.33Å; L40-Y43 HydrophobicContact CB-CD2 3.47Å; L40-Y43 VanDerWaalsContact CB-CD2 3.47Å; L40-Y43 HydrophobicContact CB-CE2 4.2Å; L40-Y43 HydrophobicContact CB-CG 4.3Å; L40-Y43 HydrophobicContact CD1-CD2 4.14Å; L40-Y43 HydrophobicContact CD1-CE2 4.35Å; L40-Y43 HydrophobicContact CG-CD2 4.46Å; L40-Y43 PolarHBondContact O-N 2.85Å; P41-Y43 VanDerWaalsContact C-N 3.34Å; P41-Y43 WeakPolarHBondContact O-CD2 3.25Å
44K83.4Confident91.3Very high206 Ų20650.1 Ų50.190%0.89625%0.254SS*.SBendtrans-83.5-17.4-176.4-65.2-179.1-178.51770113.6
45K88.3Confident91.3Very high91 Ų9147.7 Ų47.740%0.39625%0.25SS..SBendtrans-107.6137.4-174.8-63.5-65.9-173.3179.70110.1V86 M88K45-V86 HydrophobicContact CD-CB 4.39Å; K45-V86 HydrophobicContact CG-CB 4.26Å; K45-V86 HydrophobicContact CG-CG1 4.37Å; K45-M88 HydrophobicContact CB-SD 3.82Å
46E92.1Very high91Very high94 Ų9451.7 Ų51.744%0.43928%0.283SS..EExtended strand (participates in β ladder)trans-83.1153.1170.4-63.1171.3-17900109.6R39R39-E46 HydrophobicContact CB-CG 4.3Å
47G93.1Very high90.6Very high2 Ų256.6 Ų56.62%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-126.9160.117300000112.4F37 V38 M88F37-G47 WeakPolarHBondContact CA-O 3.19Å; V38-G47 PolarHBondContact N-O 2.86Å; V38-G47 PolarHBondContact O-N 3.32Å; G47-M88 WeakPolarHBondContact CA-O 3.01Å
48L94.4Very high90Very high52 Ų5263.9 Ų63.927%0.27234%0.34SS..EExtended strand (participates in β ladder)trans-101.6128.6-176.1178.768.4000110Y34 F37 M88 F90Y34-L48 HydrophobicContact CD2-CD1 4.14Å; Y34-L48 HydrophobicContact CD2-CD2 4.2Å; Y34-L48 HydrophobicContact CE2-CD1 3.57Å; Y34-L48 HydrophobicContact CE2-CD2 3.77Å; Y34-L48 HydrophobicContact CE2-CG 4.32Å; F37-L48 HydrophobicContact CD1-CD1 4.37Å; F37-L48 HydrophobicContact CD2-CD1 4.39Å; F37-L48 HydrophobicContact CE1-CB 4.36Å; F37-L48 HydrophobicContact CE1-CD1 4.07Å; F37-L48 HydrophobicContact CE2-CD1 4.07Å; F37-L48 HydrophobicContact CZ-CD1 3.91Å; L48-M88 PolarHBondContact N-O 2.8Å; L48-F90 PolarHBondContact O-N 2.87Å
49V94.7Very high89.6Confident0 Ų065 Ų650%035%0.347CS..EExtended strand (participates in β ladder)trans-96.4114.6164-173.10000107.4G35 A36 V38 E53 M54 I74 F90 M92G35-V49 CarbonylContact C-O 3.57Å; G35-V49 WeakPolarHBondContact CA-O 3.23Å; A36-V49 PolarHBondContact N-O 2.8Å; A36-V49 PolarHBondContact O-N 2.9Å; V38-V49 HydrophobicContact CG2-CG2 3.79Å; V49-E53 HydrophobicContact CG1-CB 4.19Å; V49-M54 HydrophobicContact CB-CG 4.43Å; V49-M54 HydrophobicContact CG1-CG 3.54Å; V49-I74 HydrophobicContact CG2-CG2 4.26Å; V49-F90 HydrophobicContact CG2-CB 3.64Å; V49-F90 HydrophobicContact CG2-CD2 4.41Å; V49-M92 HydrophobicContact CG1-CG 4.02Å; V49-M92 HydrophobicContact CG1-SD 4.16Å; V49-M92 HydrophobicContact CG2-CG 4.39Å
50H93.1Very high89.2Confident71 Ų7166.1 Ų66.133%0.32936%0.357SS..EExtended strand (participates in β ladder)trans-71.9150175.4-164.4-106.6000110.4S52 E53 M54H50-S52 PolarHBondContact ND1-OG 3.22Å; H50-S52 PolarHBondContact O-N 3.25Å; H50-E53 HydrophobicContact CB-CG 4.25Å; H50-E53 CarbonylContact O-C 3.49Å; H50-E53 WeakPolarHBondContact O-CA 3.2Å; H50-E53 WeakPolarHBondContact O-CB 3.47Å; H50-E53 PolarHBondContact O-N 2.96Å; H50-M54 PolarHBondContact O-N 2.85Å
51V91.9Very high89Confident15 Ų1569.4 Ų69.49%0.09138%0.375CS..Hα-helixtrans-53.2-32.3178.867.60000113.4Y34 E53 M54 V59Y34-V51 PolarHBondContact O-N 2.79Å; V51-E53 VanDerWaalsContact C-N 3.26Å; V51-E53 PolarHBondContact O-N 3.05Å; V51-M54 PolarHBondContact O-N 3.04Å; V51-V59 HydrophobicContact CG2-CB 4.29Å; V51-V59 WeakPolarHBondContact CG2-O 3.47Å
52S90.7Very high89Confident35 Ų3564.9 Ų64.925%0.24535%0.345CS..Hα-helixtrans-77.1-9.4176.6-42.90000114.6H50 K93H50-S52 PolarHBondContact ND1-OG 3.22Å; H50-S52 PolarHBondContact O-N 3.25Å; S52-K93 PolarHBondContact O-NZ 2.89Å
53E92.1Very high89.2Confident4 Ų465 Ų652%0.01934%0.335CS..Hα-helixtrans-105.4-8.6175.6-64-56.8125.600112.3V49 H50 V51 I77 F90 S91 M92 K93 R117V49-E53 HydrophobicContact CG1-CB 4.19Å; H50-E53 HydrophobicContact CB-CG 4.25Å; H50-E53 CarbonylContact O-C 3.49Å; H50-E53 WeakPolarHBondContact O-CA 3.2Å; H50-E53 WeakPolarHBondContact O-CB 3.47Å; H50-E53 PolarHBondContact O-N 2.96Å; V51-E53 VanDerWaalsContact C-N 3.26Å; V51-E53 PolarHBondContact O-N 3.05Å; E53-I77 HydrophobicContact CG-CD1 3.95Å; E53-I77 WeakPolarHBondContact OE2-CD1 3.46Å; E53-F90 WeakPolarHBondContact CB-O 3.02Å; E53-S91 PolarHBondContact OE2-OG 2.98Å; E53-M92 PolarHBondContact O-N 2.63Å; E53-K93 PolarHBondContact O-N 2.71Å; E53-K93 IonicContact OE1-NZ 3.24Å; E53-K93 PolarHBondContact OE1-NZ 3.01Å; E53-K93 WeakPolarHBondContact OE2-CE 3.42Å; E53-K93 IonicContact OE2-NZ 3.93Å; E53-K93 PolarHBondContact OE2-NZ 3.34Å; E53-R117 IonicContact OE1-CZ 3.68Å; E53-R117 IonicContact OE1-NH1 3.44Å; E53-R117 IonicContact OE1-NH2 2.7Å; E53-R117 PolarHBondContact OE1-NH2 3.42Å
54M91.9Very high89.4Confident9 Ų970.7 Ų70.74%0.04436%0.362CS..Hα-helixtrans-74.6-43.8177.3-66.3-177.279.100111.8A36 V49 H50 V51 A62 I65 V66 M92A36-M54 HydrophobicContact CB-CE 4.22Å; V49-M54 HydrophobicContact CB-CG 4.43Å; V49-M54 HydrophobicContact CG1-CG 3.54Å; H50-M54 PolarHBondContact O-N 2.85Å; V51-M54 PolarHBondContact O-N 3.04Å; M54-A62 HydrophobicContact CE-CB 3.91Å; M54-A62 HydrophobicContact SD-CB 3.47Å; M54-A62 WeakPolarHBondContact SD-CB 3.4Å; M54-I65 HydrophobicContact CB-CD1 3.76Å; M54-I65 HydrophobicContact CE-CB 4.02Å; M54-I65 HydrophobicContact CE-CD1 4.07Å; M54-I65 HydrophobicContact CE-CG2 4.39Å; M54-I65 HydrophobicContact SD-CD1 4.25Å; M54-V66 HydrophobicContact CE-CB 4.29Å; M54-V66 HydrophobicContact CE-CG1 3.84Å; M54-V66 HydrophobicContact CE-CG2 3.48Å; M54-V66 VanDerWaalsContact CE-CG2 3.48Å; M54-M92 HydrophobicContact CE-SD 4.36Å; M54-M92 HydrophobicContact CG-SD 4.36Å
55S90.4Very high89.6Confident42 Ų4263.7 Ų63.729%0.29433%0.334SS..  trans-141.5158.1-179.7-173.80000111.4T57S55-T57 VanDerWaalsContact C-N 3.29Å; S55-T57 PolarHBondContact OG-N 3.16Å
56A86.2Confident89.8Confident84 Ų8459.5 Ų59.569%0.69432%0.316SS*.SBendtrans-72.3-26.3170.400000111.9
57T86.9Confident89.8Confident104 Ų10460.6 Ų60.664%0.63833%0.325SS*.SBendtrans-81.7149.5175.1-56.40000110.2S55 V59S55-T57 VanDerWaalsContact C-N 3.29Å; S55-T57 PolarHBondContact OG-N 3.16Å; T57-V59 PolarHBondContact O-N 3.25Å
58R83Confident90Very high202 Ų20265.2 Ų65.276%0.76235%0.353SS*.  trans-67.3118.2174.4-175.565.2178.5-168.42.4109.4
59V86.2Confident90Very high24 Ų2464.2 Ų64.215%0.14536%0.355CS..  trans-117.8141.2172.2-174.10000108.8V51 T57 N61 I65V51-V59 HydrophobicContact CG2-CB 4.29Å; V51-V59 WeakPolarHBondContact CG2-O 3.47Å; T57-V59 PolarHBondContact O-N 3.25Å; V59-N61 WeakPolarHBondContact CG1-O 3.38Å; V59-I65 HydrophobicContact CB-CD1 3.95Å; V59-I65 HydrophobicContact CG1-CD1 3.83Å; V59-I65 HydrophobicContact CG1-CG1 4.06Å; V59-I65 HydrophobicContact CG2-CD1 3.77Å; V59-I65 HydrophobicContact CG2-CG1 4.39Å
60E85.7Confident90Very high158 Ų15868.1 Ų68.174%0.73837%0.373SS*.SBendtrans-91.3-40.7177.8-59.9-165.8140.600111.5
61N87.1Confident90Very high70 Ų7070.2 Ų70.237%0.37438%0.383SS..  trans-116123.6-176.9-54.6-54.9000111.3V59 S63 E64V59-N61 WeakPolarHBondContact CG1-O 3.38Å; N61-S63 PolarHBondContact O-N 3.35Å; N61-E64 HydrophobicContact CB-CG 4.25Å; N61-E64 PolarHBondContact ND2-OE1 2.89Å; N61-E64 PolarHBondContact O-N 2.86Å
62A88.1Confident90.1Very high0 Ų069.5 Ų69.50%038%0.379CS..G310 helixtrans-64.6-26.4174.800000113V31 Q32 M54 E64 I65 V66V31-A62 HydrophobicContact CG1-CB 3.6Å; Q32-A62 WeakPolarHBondContact O-CB 3.38Å; M54-A62 HydrophobicContact CE-CB 3.91Å; M54-A62 HydrophobicContact SD-CB 3.47Å; M54-A62 WeakPolarHBondContact SD-CB 3.4Å; A62-E64 PolarHBondContact O-N 2.93Å; A62-I65 PolarHBondContact O-N 3.23Å; A62-I65 VanDerWaalsContact O-N 3.17Å; A62-V66 PolarHBondContact O-N 3.3Å
63S89.9Confident90.3Very high77 Ų7771.4 Ų71.454%0.53838%0.38SS..G310 helixtrans-66.9-13.9-179.3-54.70000114.6N61N61-S63 PolarHBondContact O-N 3.35Å
64E88Confident90.4Very high144 Ų14471.2 Ų71.267%0.67338%0.379SS*.G310 helixtrans-84.5-16.1176.4-67.2171.1-149.600112.4N61 A62N61-E64 HydrophobicContact CB-CG 4.25Å; N61-E64 PolarHBondContact ND2-OE1 2.89Å; N61-E64 PolarHBondContact O-N 2.86Å; A62-E64 PolarHBondContact O-N 2.93Å
65I88.5Confident90.5Very high60 Ų6070.9 Ų70.931%0.30838%0.378SS..THydrogen-bonded Turntrans-102.8-39.8-174.5-48.3174.6000111.3M54 V59 A62M54-I65 HydrophobicContact CB-CD1 3.76Å; M54-I65 HydrophobicContact CE-CB 4.02Å; M54-I65 HydrophobicContact CE-CD1 4.07Å; M54-I65 HydrophobicContact CE-CG2 4.39Å; M54-I65 HydrophobicContact SD-CD1 4.25Å; V59-I65 HydrophobicContact CB-CD1 3.95Å; V59-I65 HydrophobicContact CG1-CD1 3.83Å; V59-I65 HydrophobicContact CG1-CG1 4.06Å; V59-I65 HydrophobicContact CG2-CD1 3.77Å; V59-I65 HydrophobicContact CG2-CG1 4.39Å; A62-I65 PolarHBondContact O-N 3.23Å; A62-I65 VanDerWaalsContact O-N 3.17Å
66V91.1Very high90.6Very high2 Ų269 Ų691%0.01236%0.364CS..  trans-136.4142.3-173.3-58.20000110.9V28 V31 A36 M54 A62 V72 M92V28-V66 HydrophobicContact CG1-CG2 4.41Å; V28-V66 HydrophobicContact CG2-CB 4.35Å; V28-V66 HydrophobicContact CG2-CG2 4.46Å; V31-V66 HydrophobicContact CG1-CG2 4.49Å; V31-V66 HydrophobicContact CG2-CG2 3.9Å; A36-V66 HydrophobicContact CB-CG2 4Å; M54-V66 HydrophobicContact CE-CB 4.29Å; M54-V66 HydrophobicContact CE-CG1 3.84Å; M54-V66 HydrophobicContact CE-CG2 3.48Å; M54-V66 VanDerWaalsContact CE-CG2 3.48Å; A62-V66 PolarHBondContact O-N 3.3Å; V66-V72 HydrophobicContact CG1-CG1 4.28Å; V66-M92 HydrophobicContact CG1-CE 3.69Å; V66-M92 HydrophobicContact CG1-SD 4.17Å
67D93.8Very high90.9Very high117 Ų11767 Ų6763%0.62634%0.342SS*.  trans-100.6158.3172-81.4-68.9000111.9V28 G69 E70V28-D67 WeakPolarHBondContact CB-O 3.48Å; D67-G69 PolarHBondContact O-N 3.18Å; D67-E70 PolarHBondContact N-OE2 3.45Å; D67-E70 WeakPolarHBondContact O-CB 3.08Å; D67-E70 PolarHBondContact O-N 3.4Å
68V95.6Very high91Very high99 Ų9963.2 Ų63.260%0.632%0.323SS*.THydrogen-bonded Turntrans-67.5131.5174.2179.50000109.3V29 V31V29-V68 WeakPolarHBondContact O-CG1 3.09Å; V31-V68 HydrophobicContact CG2-CG2 4.07Å
69G94.7Very high91.3Very high31 Ų3158.7 Ų58.732%0.3231%0.306SS..THydrogen-bonded Turntrans88.8-2-175.800000114.4V28 D67V28-G69 PolarHBondContact O-N 2.91Å; D67-G69 PolarHBondContact O-N 3.18Å
70E94.4Very high91.5Very high82 Ų8262.9 Ų62.938%0.38332%0.324SS..  trans-72.4144.2177.8-165.6179.7154.300111.6E27 V28 D67 V72E27-E70 WeakPolarHBondContact CA-O 3.38Å; V28-E70 HydrophobicContact CG2-CB 4.46Å; V28-E70 PolarHBondContact N-O 3.28Å; D67-E70 PolarHBondContact N-OE2 3.45Å; D67-E70 WeakPolarHBondContact O-CB 3.08Å; D67-E70 PolarHBondContact O-N 3.4Å; E70-V72 HydrophobicContact CG-CG1 4.32Å
71H93.8Very high91.6Very high116 Ų11659 Ų5954%0.53731%0.308SS..EExtended strand (participates in β ladder)trans-97.3113.7176.2-67.168.4000111.2G26G26-H71 CarbonylContact O-C 3.52Å; G26-H71 VanDerWaalsContact O-CA 3.3Å; G26-H71 WeakPolarHBondContact O-CA 3.49Å
72V94.2Very high91.7Very high0 Ų062.4 Ų62.40%032%0.321CS..EExtended strand (participates in β ladder)trans-119150.7-175.2-65.10000112K25 G26 V28 V38 V66 E70 I74 M92K25-V72 WeakPolarHBondContact CA-O 3.37Å; G26-V72 PolarHBondContact N-O 2.91Å; G26-V72 PolarHBondContact O-N 3.39Å; V28-V72 HydrophobicContact CG2-CG1 4.35Å; V28-V72 HydrophobicContact CG2-CG2 4.03Å; V38-V72 HydrophobicContact CG1-CG2 4.31Å; V38-V72 HydrophobicContact CG2-CG2 4.21Å; V66-V72 HydrophobicContact CG1-CG1 4.28Å; E70-V72 HydrophobicContact CG-CG1 4.32Å; V72-I74 HydrophobicContact CG2-CG2 4.13Å; V72-M92 HydrophobicContact CB-CE 3.94Å; V72-M92 HydrophobicContact CG1-CE 3.75Å; V72-M92 HydrophobicContact CG2-CE 4.42Å
73W94.6Very high91.6Very high74 Ų7465.4 Ų65.428%0.2835%0.352SS..EExtended strand (participates in β ladder)trans-88.7126.7171.8-69.794.8000110.1I23 K25 V95 Q97I23-W73 HydrophobicContact CG2-CE3 3.75Å; I23-W73 HydrophobicContact CG2-CZ3 4.24Å; K25-W73 HydrophobicContact CB-CD2 4.28Å; K25-W73 HydrophobicContact CB-CE3 4.07Å; K25-W73 HydrophobicContact CB-CH2 4.29Å; K25-W73 HydrophobicContact CB-CZ2 4.48Å; K25-W73 HydrophobicContact CB-CZ3 4.08Å; K25-W73 HydrophobicContact CD-CZ2 4.13Å; K25-W73 HydrophobicContact CG-CD2 4.41Å; W73-V95 HydrophobicContact CB-CB 4.39Å; W73-V95 HydrophobicContact CB-CG1 3.71Å; W73-Q97 PolarHBondContact O-NE2 3.16Å; W73-Q97 PolarHBondContact O-OE1 2.98Å
74I94.2Very high91.3Very high0 Ų069.1 Ų69.10%037%0.366CS..EExtended strand (participates in β ladder)trans-131149.3-178.452.9151.6000111.9I23 A24 V38 L40 V49 V72 F90 S91 M92I23-I74 WeakPolarHBondContact CA-O 3.34Å; A24-I74 PolarHBondContact N-O 2.83Å; A24-I74 WeakPolarHBondContact O-CG1 3.44Å; A24-I74 PolarHBondContact O-N 2.93Å; V38-I74 HydrophobicContact CB-CD1 4.45Å; V38-I74 HydrophobicContact CG1-CD1 4Å; V38-I74 HydrophobicContact CG1-CG1 4.49Å; L40-I74 HydrophobicContact CD1-CD1 4.23Å; L40-I74 HydrophobicContact CD2-CD1 3.62Å; L40-I74 HydrophobicContact CD2-CG1 3.96Å; L40-I74 HydrophobicContact CG-CD1 4.06Å; V49-I74 HydrophobicContact CG2-CG2 4.26Å; V72-I74 HydrophobicContact CG2-CG2 4.13Å; I74-F90 HydrophobicContact CB-CB 4.31Å; I74-F90 HydrophobicContact CD1-CB 3.96Å; I74-F90 HydrophobicContact CD1-CD1 3.63Å; I74-F90 HydrophobicContact CD1-CD2 3.4Å; I74-F90 HydrophobicContact CD1-CE1 3.87Å; I74-F90 HydrophobicContact CD1-CE2 3.59Å; I74-F90 HydrophobicContact CD1-CG 3.4Å; I74-F90 HydrophobicContact CD1-CZ 3.85Å; I74-F90 HydrophobicContact CG2-CB 4.5Å; I74-S91 WeakPolarHBondContact CA-O 3.41Å; I74-M92 HydrophobicContact CG2-CG 3.69Å
75K93.3Very high91.2Very high3 Ų370 Ų701%0.01337%0.367CS..EExtended strand (participates in β ladder)trans-107136.8170.4-175173.4-173.41710110.6S22 I23 I77 F90 S91 A94 V95 D102 D104 N107S22-K75 WeakPolarHBondContact O-CA 3.46Å; I23-K75 HydrophobicContact CG1-CB 4.38Å; I23-K75 HydrophobicContact CG1-CG 4.43Å; K75-I77 PolarHBondContact O-N 3.06Å; K75-F90 WeakPolarHBondContact O-CA 3.17Å; K75-S91 PolarHBondContact N-O 3.03Å; K75-S91 PolarHBondContact O-N 2.93Å; K75-A94 HydrophobicContact CB-CB 4.3Å; K75-A94 HydrophobicContact CD-CB 3.87Å; K75-V95 HydrophobicContact CB-CG2 3.54Å; K75-D102 IonicContact NZ-OD1 2.7Å; K75-D102 PolarHBondContact NZ-OD1 3.1Å; K75-D102 IonicContact NZ-OD2 2.71Å; K75-D102 PolarHBondContact NZ-OD2 2.85Å; K75-D104 PolarHBondContact NZ-O 3.45Å; K75-N107 WeakPolarHBondContact CE-OD1 3.48Å; K75-N107 PolarHBondContact NZ-OD1 2.91Å; K75-N107 VanDerWaalsContact NZ-OD1 3.1Å
76V92.7Very high91.2Very high1 Ų168.6 Ų68.61%0.00636%0.362CS..EExtended strand (participates in β ladder)trans-77.6110.8175.5-171.30000110.2P18 L20 H21 S22 F90P18-V76 HydrophobicContact CB-CG2 4.01Å; P18-V76 HydrophobicContact CG-CG2 3.91Å; L20-V76 HydrophobicContact CD2-CG1 4.41Å; H21-V76 WeakPolarHBondContact CA-O 3.33Å; H21-V76 PolarHBondContact N-O 3.1Å; S22-V76 PolarHBondContact O-N 3.47Å; V76-F90 HydrophobicContact CB-CD1 4.46Å; V76-F90 HydrophobicContact CB-CE1 4.46Å; V76-F90 HydrophobicContact CG1-CE1 4.33Å; V76-F90 HydrophobicContact CG2-CD1 4.13Å; V76-F90 HydrophobicContact CG2-CE1 3.83Å
77I92.3Very high91.2Very high44 Ų4474.8 Ų74.823%0.22639%0.388CS..EExtended strand (participates in β ladder)trans-89.8-41.1-179.4-42.5174.9000111E53 K75 S89 A110E53-I77 HydrophobicContact CG-CD1 3.95Å; E53-I77 WeakPolarHBondContact OE2-CD1 3.46Å; K75-I77 PolarHBondContact O-N 3.06Å; I77-S89 PolarHBondContact N-O 2.9Å; I77-A110 HydrophobicContact CG2-CB 3.66Å
78G89.8Confident91.1Very high23 Ų2369.5 Ų69.524%0.23736%0.36CS..EExtended strand (participates in β ladder)trans-152.7141.6-171.200000111.7S89G78-S89 PolarHBondContact N-O 3.48Å; G78-S89 PolarHBondContact O-N 3.19Å
79R90Very high91Very high108 Ų10867.8 Ų67.841%0.40835%0.353SS..EExtended strand (participates in β ladder)trans-128.6125.2170.379.5-171-158.6177.810107.6L20L20-R79 HydrophobicContact CD2-CB 4.12Å; L20-R79 HydrophobicContact CD2-CG 3.81Å; L20-R79 HydrophobicContact CG-CG 4.29Å
80E88.9Confident90.9Very high111 Ų11166.4 Ų66.452%0.51934%0.338SS..EExtended strand (participates in β ladder)trans-121.3118.6176.9-169.4178.6-153.300107.4K87E80-K87 HydrophobicContact CB-CB 4.39Å; E80-K87 PolarHBondContact N-O 2.84Å; E80-K87 PolarHBondContact O-N 2.66Å
81I88.9Confident90.9Very high78 Ų7862.7 Ų62.740%0.432%0.321SS..EExtended strand (participates in β ladder)trans-111107.8-179.1-56.8169.3000106.1V86I81-V86 HydrophobicContact CG1-CG1 4.44Å; I81-V86 HydrophobicContact CG2-CG2 4.45Å
82Q88.1Confident90.9Very high141 Ų14157.7 Ų57.766%0.65930%0.298SS*.EExtended strand (participates in β ladder)trans-116.790.9177.4-168.469.830.900108.5D84 K85Q82-D84 PolarHBondContact O-N 3.21Å; Q82-K85 PolarHBondContact N-O 2.82Å; Q82-K85 PolarHBondContact O-N 2.9Å; Q82-K85 VanDerWaalsContact O-N 3.09Å
83G86.9Confident90.8Very high63 Ų6358.9 Ų58.965%0.64930%0.303SS*.THydrogen-bonded Turntrans58.4-126.2-171.900000110.9K85G83-K85 VanDerWaalsContact C-N 3.29Å; G83-K85 PolarHBondContact O-N 3.15Å
84D83.8Confident90.7Very high155 Ų15555.6 Ų55.683%0.82929%0.292SS*.THydrogen-bonded Turntrans-74.5-15177.8-56.6-78.9000114.5Q82Q82-D84 PolarHBondContact O-N 3.21Å
85K86.4Confident90.7Very high161 Ų16155.9 Ų55.970%0.729%0.293SS*.EExtended strand (participates in β ladder)trans-90.4112.4-177.3-65.6-179-177177.50109.6Q82 G83Q82-K85 PolarHBondContact N-O 2.82Å; Q82-K85 PolarHBondContact O-N 2.9Å; Q82-K85 VanDerWaalsContact O-N 3.09Å; G83-K85 VanDerWaalsContact C-N 3.29Å; G83-K85 PolarHBondContact O-N 3.15Å
86V88.2Confident90.6Very high32 Ų3258.7 Ų58.719%0.19431%0.308CS..EExtended strand (participates in β ladder)trans-104.7118.9176.3-176.90000108.7L17 K45 I81 M88L17-V86 HydrophobicContact CD1-CG1 4.2Å; L17-V86 HydrophobicContact CD2-CG1 3.52Å; L17-V86 HydrophobicContact CG-CG1 4.41Å; K45-V86 HydrophobicContact CD-CB 4.39Å; K45-V86 HydrophobicContact CG-CB 4.26Å; K45-V86 HydrophobicContact CG-CG1 4.37Å; I81-V86 HydrophobicContact CG1-CG1 4.44Å; I81-V86 HydrophobicContact CG2-CG2 4.45Å; V86-M88 HydrophobicContact CG1-CG 4.21Å
87K90.1Very high90.5Very high131 Ų13162.2 Ų62.257%0.5733%0.325SS*.EExtended strand (participates in β ladder)trans-108.5127.5174.3-64.7179-176.1173.50109.3E80E80-K87 HydrophobicContact CB-CB 4.39Å; E80-K87 PolarHBondContact N-O 2.84Å; E80-K87 PolarHBondContact O-N 2.66Å
88M92Very high90.4Very high7 Ų763.5 Ų63.53%0.03435%0.348CS..EExtended strand (participates in β ladder)trans-117.4130.3179-63.8177.171.300109.6L17 P18 K45 G47 L48 V86 F90L17-M88 HydrophobicContact CD2-CE 4.09Å; L17-M88 HydrophobicContact CD2-CG 4.03Å; L17-M88 HydrophobicContact CD2-SD 3.66Å; P18-M88 HydrophobicContact CG-CE 3.25Å; K45-M88 HydrophobicContact CB-SD 3.82Å; G47-M88 WeakPolarHBondContact CA-O 3.01Å; L48-M88 PolarHBondContact N-O 2.8Å; V86-M88 HydrophobicContact CG1-CG 4.21Å; M88-F90 HydrophobicContact CB-CE1 4.27Å; M88-F90 HydrophobicContact CB-CZ 4.1Å; M88-F90 HydrophobicContact CE-CE1 3.73Å; M88-F90 HydrophobicContact CE-CZ 3.55Å; M88-F90 HydrophobicContact SD-CZ 4.45Å
89S93.2Very high90.3Very high63 Ų6366.8 Ų66.844%0.44136%0.364SS..EExtended strand (participates in β ladder)trans-114.3125.4178.1-62.10000110.3I77 G78I77-S89 PolarHBondContact N-O 2.9Å; G78-S89 PolarHBondContact N-O 3.48Å; G78-S89 PolarHBondContact O-N 3.19Å
90F94Very high90.1Very high2 Ų262.2 Ų62.21%0.00935%0.351CS..EExtended strand (participates in β ladder)trans-117.6153.9-175.4-62.8-41.1000112.4V38 L40 L48 V49 E53 I74 K75 V76 M88V38-F90 HydrophobicContact CB-CD2 4.3Å; V38-F90 HydrophobicContact CB-CE2 4.45Å; L40-F90 HydrophobicContact CD1-CE1 3.95Å; L40-F90 HydrophobicContact CD1-CE2 4.41Å; L40-F90 HydrophobicContact CD1-CZ 3.57Å; L40-F90 HydrophobicContact CG-CZ 4.13Å; L48-F90 PolarHBondContact O-N 2.87Å; V49-F90 HydrophobicContact CG2-CB 3.64Å; V49-F90 HydrophobicContact CG2-CD2 4.41Å; E53-F90 WeakPolarHBondContact CB-O 3.02Å; I74-F90 HydrophobicContact CB-CB 4.31Å; I74-F90 HydrophobicContact CD1-CB 3.96Å; I74-F90 HydrophobicContact CD1-CD1 3.63Å; I74-F90 HydrophobicContact CD1-CD2 3.4Å; I74-F90 HydrophobicContact CD1-CE1 3.87Å; I74-F90 HydrophobicContact CD1-CE2 3.59Å; I74-F90 HydrophobicContact CD1-CG 3.4Å; I74-F90 HydrophobicContact CD1-CZ 3.85Å; I74-F90 HydrophobicContact CG2-CB 4.5Å; K75-F90 WeakPolarHBondContact O-CA 3.17Å; V76-F90 HydrophobicContact CB-CD1 4.46Å; V76-F90 HydrophobicContact CB-CE1 4.46Å; V76-F90 HydrophobicContact CG1-CE1 4.33Å; V76-F90 HydrophobicContact CG2-CD1 4.13Å; V76-F90 HydrophobicContact CG2-CE1 3.83Å; M88-F90 HydrophobicContact CB-CE1 4.27Å; M88-F90 HydrophobicContact CB-CZ 4.1Å; M88-F90 HydrophobicContact CE-CE1 3.73Å; M88-F90 HydrophobicContact CE-CZ 3.55Å; M88-F90 HydrophobicContact SD-CZ 4.45Å
91S94.3Very high90.2Very high3 Ų362.9 Ų62.92%0.02135%0.354CS..EExtended strand (participates in β ladder)trans-121.4132.4172.7-145.60000111.3E53 I74 K75 K93E53-S91 PolarHBondContact OE2-OG 2.98Å; I74-S91 WeakPolarHBondContact CA-O 3.41Å; K75-S91 PolarHBondContact N-O 3.03Å; K75-S91 PolarHBondContact O-N 2.93Å; S91-K93 WeakPolarHBondContact OG-CG 3.44Å
92M93.6Very high90.3Very high11 Ų1161.9 Ų61.95%0.05435%0.35CS..SBendtrans-95.7-32.3167.2-66.1174.464.300111.4V49 E53 M54 V66 V72 I74 A94 V95 Q97V49-M92 HydrophobicContact CG1-CG 4.02Å; V49-M92 HydrophobicContact CG1-SD 4.16Å; V49-M92 HydrophobicContact CG2-CG 4.39Å; E53-M92 PolarHBondContact O-N 2.63Å; M54-M92 HydrophobicContact CE-SD 4.36Å; M54-M92 HydrophobicContact CG-SD 4.36Å; V66-M92 HydrophobicContact CG1-CE 3.69Å; V66-M92 HydrophobicContact CG1-SD 4.17Å; V72-M92 HydrophobicContact CB-CE 3.94Å; V72-M92 HydrophobicContact CG1-CE 3.75Å; V72-M92 HydrophobicContact CG2-CE 4.42Å; I74-M92 HydrophobicContact CG2-CG 3.69Å; M92-A94 PolarHBondContact O-N 3.24Å; M92-V95 PolarHBondContact O-N 2.75Å; M92-V95 VanDerWaalsContact O-N 3.16Å; M92-Q97 PolarHBondContact O-NE2 2.68Å
93K92.1Very high90.3Very high26 Ų2660 Ų6011%0.11334%0.343CS..THydrogen-bonded Turntrans-64.8-24.6-179.668.9179.8177.8-154.70114.2S52 E53 S91 V95 D113S52-K93 PolarHBondContact O-NZ 2.89Å; E53-K93 PolarHBondContact O-N 2.71Å; E53-K93 IonicContact OE1-NZ 3.24Å; E53-K93 PolarHBondContact OE1-NZ 3.01Å; E53-K93 WeakPolarHBondContact OE2-CE 3.42Å; E53-K93 IonicContact OE2-NZ 3.93Å; E53-K93 PolarHBondContact OE2-NZ 3.34Å; S91-K93 WeakPolarHBondContact OG-CG 3.44Å; K93-V95 PolarHBondContact O-N 3.03Å; K93-D113 VanDerWaalsContact NZ-CG 3.3Å; K93-D113 IonicContact NZ-OD1 2.63Å; K93-D113 IonicContact NZ-OD2 2.84Å; K93-D113 PolarHBondContact NZ-OD2 3.28Å
94A92.1Very high90.3Very high5 Ų557.7 Ų57.74%0.04132%0.316CS..THydrogen-bonded Turntrans-80.2-5.7179.500000112.9K75 M92 L103 D104K75-A94 HydrophobicContact CB-CB 4.3Å; K75-A94 HydrophobicContact CD-CB 3.87Å; M92-A94 PolarHBondContact O-N 3.24Å; A94-L103 WeakPolarHBondContact O-CB 3.45Å; A94-L103 PolarHBondContact O-N 3.29Å; A94-D104 HydrophobicContact CB-CB 4.29Å
95V93.4Very high90.4Very high5 Ų554.5 Ų54.53%0.0330%0.304CS..BIsolated β-bridgetrans-129.1140.3-176.4-1700000110.3I23 W73 K75 M92 K93 Q97I23-V95 HydrophobicContact CD1-CG1 4.21Å; I23-V95 HydrophobicContact CD1-CG2 4.08Å; I23-V95 HydrophobicContact CG1-CG2 3.97Å; I23-V95 HydrophobicContact CG2-CG1 3.89Å; I23-V95 HydrophobicContact CG2-CG2 4.31Å; W73-V95 HydrophobicContact CB-CB 4.39Å; W73-V95 HydrophobicContact CB-CG1 3.71Å; K75-V95 HydrophobicContact CB-CG2 3.54Å; M92-V95 PolarHBondContact O-N 2.75Å; M92-V95 VanDerWaalsContact O-N 3.16Å; K93-V95 PolarHBondContact O-N 3.03Å; V95-Q97 PolarHBondContact O-N 3.09Å
96N92.6Very high90.4Very high62 Ų6253 Ų5333%0.33230%0.303SS..  trans-75.2123.4171-171.2-72.3000110.5G98 T99 G100 Q101 L103N96-G98 VanDerWaalsContact C-N 3.3Å; N96-G98 PolarHBondContact O-N 3Å; N96-G98 WeakPolarHBondContact OD1-CA 3.08Å; N96-G98 PolarHBondContact OD1-N 2.93Å; N96-T99 PolarHBondContact OD1-N 2.98Å; N96-G100 VanDerWaalsContact O-CA 3.25Å; N96-G100 WeakPolarHBondContact O-CA 3.17Å; N96-G100 PolarHBondContact O-N 2.75Å; N96-Q101 PolarHBondContact N-O 2.77Å; N96-L103 HydrophobicContact CB-CD1 4.31Å; N96-L103 HydrophobicContact CB-CD2 4.21Å; N96-L103 HydrophobicContact CB-CG 4.28Å
97Q90.4Very high90.3Very high76 Ų7653.1 Ų53.136%0.35530%0.303SS..THydrogen-bonded Turntrans-70.4-22.3-177.1-59.7-56.4-42.500114W73 M92 V95W73-Q97 PolarHBondContact O-NE2 3.16Å; W73-Q97 PolarHBondContact O-OE1 2.98Å; M92-Q97 PolarHBondContact O-NE2 2.68Å; V95-Q97 PolarHBondContact O-N 3.09Å
98G89.2Confident90.2Very high70 Ų7050.4 Ų50.472%0.72230%0.297SS*.THydrogen-bonded Turntrans-84.7-46.117800000113.1N96N96-G98 VanDerWaalsContact C-N 3.3Å; N96-G98 PolarHBondContact O-N 3Å; N96-G98 WeakPolarHBondContact OD1-CA 3.08Å; N96-G98 PolarHBondContact OD1-N 2.93Å
99T88.3Confident89.9Confident92 Ų9253.5 Ų53.556%0.56431%0.313SS*.THydrogen-bonded Turntrans-101.9-14.1-172.5-36.40000113.3N96 Q101N96-T99 PolarHBondContact OD1-N 2.98Å; T99-Q101 HydrophobicContact CG2-CG 3.75Å; T99-Q101 PolarHBondContact O-N 3.17Å
100G86.9Confident89.6Confident13 Ų1351.3 Ų51.313%0.13430%0.298CS..  trans67.113.5-173.900000113.8N96N96-G100 VanDerWaalsContact O-CA 3.25Å; N96-G100 WeakPolarHBondContact O-CA 3.17Å; N96-G100 PolarHBondContact O-N 2.75Å
101Q89.8Confident89.2Confident125 Ų12554.8 Ų54.858%0.58432%0.317SS*.  trans-76.4143.6179-73.3-175.5-15.600111.5N96 T99 L103N96-Q101 PolarHBondContact N-O 2.77Å; T99-Q101 HydrophobicContact CG2-CG 3.75Å; T99-Q101 PolarHBondContact O-N 3.17Å; Q101-L103 PolarHBondContact O-N 2.7Å
102D90.7Very high88.9Confident57 Ų5759.4 Ų59.431%0.30534%0.338SS..BIsolated β-bridgetrans-70.2121.2173.4-160.2-3.8000110.3I23 K75 D104I23-D102 HydrophobicContact CD1-CB 3.48Å; I23-D102 VanDerWaalsContact CD1-CB 3.48Å; K75-D102 IonicContact NZ-OD1 2.7Å; K75-D102 PolarHBondContact NZ-OD1 3.1Å; K75-D102 IonicContact NZ-OD2 2.71Å; K75-D102 PolarHBondContact NZ-OD2 2.85Å; D102-D104 PolarHBondContact OD1-N 3.43Å; D102-D104 VanDerWaalsContact OD1-N 3.15Å
103L88.4Confident88.5Confident101 Ų10159.6 Ų59.653%0.52934%0.339SS..SBendtrans-90.3-18.8176.1-62176.7000112.1A94 N96 Q101A94-L103 WeakPolarHBondContact O-CB 3.45Å; A94-L103 PolarHBondContact O-N 3.29Å; N96-L103 HydrophobicContact CB-CD1 4.31Å; N96-L103 HydrophobicContact CB-CD2 4.21Å; N96-L103 HydrophobicContact CB-CG 4.28Å; Q101-L103 PolarHBondContact O-N 2.7Å
104D87Confident88.2Confident15 Ų1560.7 Ų60.78%0.0835%0.353CS..  trans-130.767.5-177.4-169.7-147.4000111.3K75 A94 D102 N106 N107 V108 M109K75-D104 PolarHBondContact NZ-O 3.45Å; A94-D104 HydrophobicContact CB-CB 4.29Å; D102-D104 PolarHBondContact OD1-N 3.43Å; D102-D104 VanDerWaalsContact OD1-N 3.15Å; D104-N106 PolarHBondContact O-N 3.29Å; D104-N106 VanDerWaalsContact O-N 3.17Å; D104-N107 PolarHBondContact O-N 2.91Å; D104-N107 WeakPolarHBondContact OD1-CA 3.41Å; D104-V108 PolarHBondContact OD1-N 2.85Å; D104-V108 PolarHBondContact OD2-N 2.97Å; D104-V108 VanDerWaalsContact OD2-N 3.09Å; D104-M109 HydrophobicContact CB-CG 4.48Å; D104-M109 HydrophobicContact CB-SD 4.47Å; D104-M109 WeakPolarHBondContact OD1-CB 3.1Å; D104-M109 PolarHBondContact OD1-N 3.38Å
105P85.3Confident87.8Confident87 Ų8767.8 Ų67.857%0.56538%0.379SS*.THydrogen-bonded Turntrans-60.3-28.2-178.123.8-33.6000112.9
106N87.6Confident87.4Confident129 Ų12975 Ų7569%0.6941%0.405SS*.THydrogen-bonded Turntrans-87.4-2.2178.9-66.867.5000113.6D104 V108D104-N106 PolarHBondContact O-N 3.29Å; D104-N106 VanDerWaalsContact O-N 3.17Å; N106-V108 HydrophobicContact CB-CG2 3.64Å; N106-V108 PolarHBondContact O-N 3.48Å; N106-V108 VanDerWaalsContact O-N 3.16Å
107N86.4Confident86.7Confident35 Ų3578 Ų7819%0.18741%0.412CS..  trans53.729.5-176.4-57-71.8000113.6H21 K75 D104 M109 A110 D111H21-N107 PolarHBondContact ND1-ND2 2.93Å; H21-N107 PolarHBondContact ND1-OD1 3.17Å; K75-N107 WeakPolarHBondContact CE-OD1 3.48Å; K75-N107 PolarHBondContact NZ-OD1 2.91Å; K75-N107 VanDerWaalsContact NZ-OD1 3.1Å; D104-N107 PolarHBondContact O-N 2.91Å; D104-N107 WeakPolarHBondContact OD1-CA 3.41Å; N107-M109 VanDerWaalsContact C-N 3.34Å; N107-A110 HydrophobicContact CB-CB 4.42Å; N107-A110 PolarHBondContact O-N 2.99Å; N107-D111 PolarHBondContact O-N 2.9Å; N107-D111 VanDerWaalsContact O-N 3.07Å
108V87.9Confident86Confident75 Ų7582.7 Ų82.746%0.45543%0.431SS..Hα-helixtrans-71.1-34.2-174.9167.60000110.6D104 N106 Q112D104-V108 PolarHBondContact OD1-N 2.85Å; D104-V108 PolarHBondContact OD2-N 2.97Å; D104-V108 VanDerWaalsContact OD2-N 3.09Å; N106-V108 HydrophobicContact CB-CG2 3.64Å; N106-V108 PolarHBondContact O-N 3.48Å; N106-V108 VanDerWaalsContact O-N 3.16Å; V108-Q112 WeakPolarHBondContact O-CB 3.35Å; V108-Q112 VanDerWaalsContact O-CG 3.27Å; V108-Q112 WeakPolarHBondContact O-CG 3.48Å; V108-Q112 PolarHBondContact O-N 3.16Å; V108-Q112 VanDerWaalsContact O-N 3.14Å; V108-Q112 PolarHBondContact O-NE2 3.21Å
109M85.8Confident84.8Confident72 Ų7287.1 Ų87.136%0.35543%0.433SS..Hα-helixtrans-69-44.8176.2-59.1-175.579.600110.3D104 N107 D111 Q112 D113D104-M109 HydrophobicContact CB-CG 4.48Å; D104-M109 HydrophobicContact CB-SD 4.47Å; D104-M109 WeakPolarHBondContact OD1-CB 3.1Å; D104-M109 PolarHBondContact OD1-N 3.38Å; N107-M109 VanDerWaalsContact C-N 3.34Å; M109-D111 PolarHBondContact O-N 2.7Å; M109-Q112 PolarHBondContact O-N 3.46Å; M109-D113 PolarHBondContact O-N 3.31Å; M109-D113 VanDerWaalsContact O-OD2 3.1Å
110A85.6Confident83Confident16 Ų1690.6 Ų90.613%0.13244%0.441CS..Hα-helixtrans-61.4-43.1179.300000112.6I77 N107 D113 A114I77-A110 HydrophobicContact CG2-CB 3.66Å; N107-A110 HydrophobicContact CB-CB 4.42Å; N107-A110 PolarHBondContact O-N 2.99Å; A110-D113 PolarHBondContact O-N 3.22Å; A110-A114 VanDerWaalsContact O-CB 3.3Å; A110-A114 WeakPolarHBondContact O-CB 3.4Å; A110-A114 PolarHBondContact O-N 2.79Å
111D86.9Confident81.7Confident75 Ų75100 Ų10040%0.40147%0.472SS..Hα-helixtrans-65.9-41.9176.9-174.7-113.2000111.8N107 M109 A114 R115N107-D111 PolarHBondContact O-N 2.9Å; N107-D111 VanDerWaalsContact O-N 3.07Å; M109-D111 PolarHBondContact O-N 2.7Å; D111-A114 PolarHBondContact O-N 3.07Å; D111-R115 WeakPolarHBondContact O-CB 3.3Å; D111-R115 VanDerWaalsContact O-CG 3.29Å; D111-R115 WeakPolarHBondContact O-CG 3.36Å; D111-R115 PolarHBondContact O-N 3.14Å; D111-R115 IonicContact OD1-CZ 3.92Å; D111-R115 IonicContact OD1-NE 2.99Å; D111-R115 PolarHBondContact OD1-NE 3.46Å; D111-R115 IonicContact OD1-NH2 2.79Å; D111-R115 PolarHBondContact OD1-NH2 2.94Å; D111-R115 IonicContact OD2-NE 3.69Å; D111-R115 IonicContact OD2-NH2 2.71Å
112Q87.3Confident80.1Confident101 Ų10198.5 Ų98.547%0.47247%0.468SS..Hα-helixtrans-62.2-44.5175.5-77.7179.767.700112.3V108 M109 R115 R116V108-Q112 WeakPolarHBondContact O-CB 3.35Å; V108-Q112 VanDerWaalsContact O-CG 3.27Å; V108-Q112 WeakPolarHBondContact O-CG 3.48Å; V108-Q112 PolarHBondContact O-N 3.16Å; V108-Q112 VanDerWaalsContact O-N 3.14Å; V108-Q112 PolarHBondContact O-NE2 3.21Å; M109-Q112 PolarHBondContact O-N 3.46Å; Q112-R115 PolarHBondContact O-N 3.36Å; Q112-R116 WeakPolarHBondContact O-CB 3.27Å; Q112-R116 PolarHBondContact O-N 2.92Å
113D85.8Confident78.4Confident15 Ų15103.6 Ų103.68%0.0849%0.49CS..Hα-helixtrans-67.3-38.5177.5-80.2-62.4000112.2K93 M109 A110 R116 R117K93-D113 VanDerWaalsContact NZ-CG 3.3Å; K93-D113 IonicContact NZ-OD1 2.63Å; K93-D113 IonicContact NZ-OD2 2.84Å; K93-D113 PolarHBondContact NZ-OD2 3.28Å; M109-D113 PolarHBondContact O-N 3.31Å; M109-D113 VanDerWaalsContact O-OD2 3.1Å; A110-D113 PolarHBondContact O-N 3.22Å; D113-R116 PolarHBondContact O-N 3.48Å; D113-R116 IonicContact OD1-CZ 2.75Å; D113-R116 IonicContact OD1-NH1 3.64Å; D113-R116 PolarHBondContact OD1-NH1 3.36Å; D113-R116 IonicContact OD1-NH2 3.77Å; D113-R117 WeakPolarHBondContact O-CG 3.29Å; D113-R117 PolarHBondContact O-N 2.71Å
114A84.3Confident77Confident48 Ų48103.3 Ų103.340%0.39749%0.493SS..Hα-helixtrans-62.1-43.1173.200000111.9A110 D111 R117 K118A110-A114 VanDerWaalsContact O-CB 3.3Å; A110-A114 WeakPolarHBondContact O-CB 3.4Å; A110-A114 PolarHBondContact O-N 2.79Å; D111-A114 PolarHBondContact O-N 3.07Å; A114-R117 PolarHBondContact O-N 2.91Å; A114-K118 PolarHBondContact O-N 2.91Å
115R85.3Confident75.5Confident154 Ų154107.8 Ų107.858%0.58153%0.525SS*.Hα-helixtrans-63.2-45174.6-73.3177.4-166.2-162.66.9111.9D111 Q112 R117 K118 Q119D111-R115 WeakPolarHBondContact O-CB 3.3Å; D111-R115 VanDerWaalsContact O-CG 3.29Å; D111-R115 WeakPolarHBondContact O-CG 3.36Å; D111-R115 PolarHBondContact O-N 3.14Å; D111-R115 IonicContact OD1-CZ 3.92Å; D111-R115 IonicContact OD1-NE 2.99Å; D111-R115 PolarHBondContact OD1-NE 3.46Å; D111-R115 IonicContact OD1-NH2 2.79Å; D111-R115 PolarHBondContact OD1-NH2 2.94Å; D111-R115 IonicContact OD2-NE 3.69Å; D111-R115 IonicContact OD2-NH2 2.71Å; Q112-R115 PolarHBondContact O-N 3.36Å; R115-R117 VanDerWaalsContact C-N 3.29Å; R115-R117 PolarHBondContact O-N 3.38Å; R115-K118 PolarHBondContact O-N 2.89Å; R115-K118 VanDerWaalsContact O-N 3.09Å; R115-Q119 PolarHBondContact O-N 3.07Å
116R83.5Confident74.4Confident156 Ų156110 Ų11059%0.58953%0.532SS*.Hα-helixtrans-60.6-38.8177.8-159-175.2-54.8130.19.5111.5Q112 D113Q112-R116 WeakPolarHBondContact O-CB 3.27Å; Q112-R116 PolarHBondContact O-N 2.92Å; D113-R116 PolarHBondContact O-N 3.48Å; D113-R116 IonicContact OD1-CZ 2.75Å; D113-R116 IonicContact OD1-NH1 3.64Å; D113-R116 PolarHBondContact OD1-NH1 3.36Å; D113-R116 IonicContact OD1-NH2 3.77Å
117R78.4Confident73Confident126 Ų126114.2 Ų114.248%0.47554%0.538SS..Hα-helixtrans-70.4-31.9173.9-71.2177.5-165144.917.7113.4E53 D113 A114 R115E53-R117 IonicContact OE1-CZ 3.68Å; E53-R117 IonicContact OE1-NH1 3.44Å; E53-R117 IonicContact OE1-NH2 2.7Å; E53-R117 PolarHBondContact OE1-NH2 3.42Å; D113-R117 WeakPolarHBondContact O-CG 3.29Å; D113-R117 PolarHBondContact O-N 2.71Å; A114-R117 PolarHBondContact O-N 2.91Å; R115-R117 VanDerWaalsContact C-N 3.29Å; R115-R117 PolarHBondContact O-N 3.38Å
118K75.8Confident71.7Confident175 Ų175120.1 Ų120.176%0.76157%0.568SS**Hα-helixtrans-73.8-29.4176.9-119.581.1179.2-172.80112.3A114 R115 F120A114-K118 PolarHBondContact O-N 2.91Å; R115-K118 PolarHBondContact O-N 2.89Å; R115-K118 VanDerWaalsContact O-N 3.09Å; K118-F120 PolarHBondContact O-N 2.83Å
119Q63.4Low70.2Confident162 Ų162120.2 Ų120.276%0.75757%0.569SS**  trans-96.172.8-174.4-72.1-173.3-2200112.5R115R115-Q119 PolarHBondContact O-N 3.07Å
120F51.2Low69Low166 Ų166125 Ų12573%0.72860%0.595SS**  trans-14262.9142-162.6-95.5000108.1K118 D122K118-F120 PolarHBondContact O-N 2.83Å; F120-D122 WeakPolarHBondContact CE1-OD2 3.17Å; F120-D122 WeakPolarHBondContact CZ-OD2 3.18Å
121R58.5Low67.8Low209 Ų209131.3 Ų131.379%0.78962%0.622SS**  trans-105.799.3156.6-69.2-170.883.21785.7104.8H123R121-H123 PolarHBondContact O-N 2.98Å
122D56.4Low66.4Low95 Ų95131.9 Ų131.951%0.50864%0.637SS.*  trans-55.585.9154.8-62.9-45.2000106.7F120 T124 S125F120-D122 WeakPolarHBondContact CE1-OD2 3.17Å; F120-D122 WeakPolarHBondContact CZ-OD2 3.18Å; D122-T124 PolarHBondContact O-N 3.39Å; D122-S125 PolarHBondContact O-N 3.4Å
123H56.6Low65.1Low163 Ų163131 Ų13176%0.75564%0.638SS**SBendtrans-71.43.3164.3-139.572.2000110.5R121R121-H123 PolarHBondContact O-N 2.98Å
124T58.6Low63.9Low96 Ų96134 Ų13459%0.58965%0.654SS**  trans-99.153.7163.5610000110D122 N126D122-T124 PolarHBondContact O-N 3.39Å; T124-N126 CarbonylContact O-C 3.45Å; T124-N126 PolarHBondContact O-N 3.09Å
125S55.9Low62.9Low109 Ų109139.3 Ų139.376%0.76268%0.676SS**  trans-65.8-10.8152.559.90000111.1D122 R127D122-S125 PolarHBondContact O-N 3.4Å; S125-R127 PolarHBondContact O-N 2.98Å
126N61.1Low62.1Low133 Ų133134.2 Ų134.271%0.71166%0.662SS**SBendtrans-65.592.8150.5-79.33.8000107.7T124 I128T124-N126 CarbonylContact O-C 3.45Å; T124-N126 PolarHBondContact O-N 3.09Å; N126-I128 PolarHBondContact O-N 2.86Å; N126-I128 VanDerWaalsContact O-N 3.16Å
127R59.4Low61.7Low218 Ų218131 Ų13182%0.82366%0.659SS**  trans-40.8126.1151.8-76.6-172.8-178.1-1721.4106.4S125 T129S125-R127 PolarHBondContact O-N 2.98Å; R127-T129 HydrophobicContact CB-CG2 4.26Å; R127-T129 PolarHBondContact O-N 2.93Å
128I58.7Low61.5Low158 Ų158125.2 Ų125.281%0.8164%0.638SS**  trans-66.187.9157.7-60162.4000103.6N126 L130N126-I128 PolarHBondContact O-N 2.86Å; N126-I128 VanDerWaalsContact O-N 3.16Å; I128-L130 PolarHBondContact O-N 3.31Å
129T55.8Low61.6Low78 Ų78122.1 Ų122.148%0.47964%0.639SS.*  trans-62.6130.416450.50000104.8R127 E131R127-T129 HydrophobicContact CB-CG2 4.26Å; R127-T129 PolarHBondContact O-N 2.93Å; T129-E131 PolarHBondContact O-N 3.09Å
130L60.6Low62Low172 Ų172122.1 Ų122.190%0.90164%0.636SS**SBendtrans-66.416.2171.4-68.6160.2000111.6I128 A132I128-L130 PolarHBondContact O-N 3.31Å; L130-A132 PolarHBondContact O-N 3.43Å
131E59.9Low63.3Low148 Ų148116.2 Ų116.269%0.69262%0.615SS**  trans-78.433.6172-64.5-174.7125.700111.8T129 V133T129-E131 PolarHBondContact O-N 3.09Å; E131-V133 PolarHBondContact O-N 3.34Å
132A57.1Low64Low87 Ų87108.8 Ų108.872%0.71960%0.604SS**  trans-68.851147.400000109L130 L134L130-A132 PolarHBondContact O-N 3.43Å; A132-L134 PolarHBondContact O-N 2.73Å
133V61.3Low64.5Low82 Ų82107.9 Ų107.950%0.49760%0.604SS.*  trans-64.899.9154.2-179.90000102.7E131 N135E131-V133 PolarHBondContact O-N 3.34Å; V133-N135 PolarHBondContact O-N 3.37Å; V133-N135 PolarHBondContact O-OD1 3.32Å
134L60Low65.3Low79 Ų79107.7 Ų107.741%0.41460%0.601SS.*  trans-45.4119.9172.9-65.5153.5000106.5A132 T136 F147A132-L134 PolarHBondContact O-N 2.73Å; L134-T136 HydrophobicContact CB-CG2 4.13Å; L134-T136 VanDerWaalsContact CB-OG1 3.24Å; L134-T136 WeakPolarHBondContact CB-OG1 3.44Å; L134-T136 PolarHBondContact O-N 3.38Å; L134-F147 HydrophobicContact CD1-CD2 4.4Å; L134-F147 HydrophobicContact CD1-CE2 3.88Å; L134-F147 HydrophobicContact CD2-CE2 4.44Å
135N63.2Low66.1Low160 Ų160104.7 Ų104.786%0.85659%0.589SS**SBendtrans-65.320.2171.8-68.19.6000111.6V133V133-N135 PolarHBondContact O-N 3.37Å; V133-N135 PolarHBondContact O-OD1 3.32Å
136T69.6Low67.1Low46 Ų46101.6 Ų101.628%0.28256%0.563SS.*PPolyproline II helixtrans-87.1116.2175.961.90000108.2L134 G145 F147L134-T136 HydrophobicContact CB-CG2 4.13Å; L134-T136 VanDerWaalsContact CB-OG1 3.24Å; L134-T136 WeakPolarHBondContact CB-OG1 3.44Å; L134-T136 PolarHBondContact O-N 3.38Å; T136-G145 PolarHBondContact O-N 2.79Å; T136-G145 VanDerWaalsContact O-N 3.09Å; T136-F147 HydrophobicContact CG2-CE1 4.2Å; T136-F147 HydrophobicContact CG2-CZ 4.28Å
137T75.4Confident67.7Low88 Ų88100.5 Ų100.554%0.5455%0.552SS.*BIsolated β-bridgetrans-80.9130.6166.438.80000109S139 K144T137-S139 PolarHBondContact O-N 3.39Å; T137-K144 HydrophobicContact CG2-CG 3.8Å
138C73.4Confident68.4Low5 Ų592.5 Ų92.53%0.03453%0.527CS..PPolyproline II helixtrans-70.5126.8174.81780000110.1K140 C141 G142 C143 H146C138-K140 PolarHBondContact O-N 3.04Å; C138-K140 PolarHBondContact SG-N 3.39Å; C138-C141 VanDerWaalsContact CB-SG 3.6Å; C138-C141 VanDerWaalsContact SG-SG 3.61Å; C138-G142 VanDerWaalsContact O-CA 3.27Å; C138-G142 WeakPolarHBondContact O-CA 3.48Å; C138-G142 PolarHBondContact O-N 3.2Å; C138-C143 PolarHBondContact N-O 3.42Å; C138-H146 WeakPolarHBondContact CB-NE2 3.47Å; C138-H146 PolarHBondContact SG-NE2 3.16Å
139S78.5Confident68.9Low111 Ų11194.4 Ų94.478%0.77653%0.53SS*.THydrogen-bonded Turntrans-74.3-5178.8260000114.7T137 T148T137-S139 PolarHBondContact O-N 3.39Å; S139-T148 WeakPolarHBondContact OG-CG2 3.24Å
140K72Confident69.6Low161 Ų16196 Ų9670%0.754%0.535SS*.THydrogen-bonded Turntrans-94.8-38174.6-74.8-177.4177.2179.70113.9C138 T148 C151C138-K140 PolarHBondContact O-N 3.04Å; C138-K140 PolarHBondContact SG-N 3.39Å; K140-T148 HydrophobicContact CG-CG2 4.19Å; K140-C151 HydrophobicContact CD-CB 4.49Å
141C77.6Confident70Confident42 Ų4288.9 Ų88.928%0.28450%0.5SS..THydrogen-bonded Turntrans-124.1-5.8-174.663.80000114.2C138 C143 H146 C151C138-C141 VanDerWaalsContact CB-SG 3.6Å; C138-C141 VanDerWaalsContact SG-SG 3.61Å; C141-C143 PolarHBondContact O-N 2.86Å; C141-C143 VanDerWaalsContact O-N 3.1Å; C141-H146 PolarHBondContact SG-CE1 2.96Å; C141-H146 PolarHBondContact SG-NE2 3.43Å; C141-H146 VanDerWaalsContact SG-NE2 3.36Å; C141-C151 VanDerWaalsContact SG-SG 3.64Å
142G73.8Confident70.4Confident54 Ų5490.3 Ų90.356%0.55750%0.504SS*.  trans73.3-7.8179.200000115.4C138C138-G142 VanDerWaalsContact O-CA 3.27Å; C138-G142 WeakPolarHBondContact O-CA 3.48Å; C138-G142 PolarHBondContact O-N 3.2Å
143C66.6Low70.7Confident75 Ų7590.3 Ų90.351%0.50750%0.499SS..  trans-72.1144.2178.1-58.80000111.7C138 C141C138-C143 PolarHBondContact N-O 3.42Å; C141-C143 PolarHBondContact O-N 2.86Å; C141-C143 VanDerWaalsContact O-N 3.1Å
144K73.4Confident70.8Confident160 Ų16089.6 Ų89.670%0.69650%0.502SS*.BIsolated β-bridgetrans-80.5145.2176.7-60.9-168.4178.8-163.90110.7T137T137-K144 HydrophobicContact CG2-CG 3.8Å
145G75.7Confident70.6Confident33 Ų3392.5 Ų92.534%0.3453%0.525SS..SBendtrans102.69.8167.100000117.2T136T136-G145 PolarHBondContact O-N 2.79Å; T136-G145 VanDerWaalsContact O-N 3.09Å
146H75.2Confident70.4Confident43 Ų4387.9 Ų87.920%0.19952%0.516CS..  trans-148.215917070.3-77.7000112.9C138 C141 C151C138-H146 WeakPolarHBondContact CB-NE2 3.47Å; C138-H146 PolarHBondContact SG-NE2 3.16Å; C141-H146 PolarHBondContact SG-CE1 2.96Å; C141-H146 PolarHBondContact SG-NE2 3.43Å; C141-H146 VanDerWaalsContact SG-NE2 3.36Å; H146-C151 VanDerWaalsContact CD2-CA 3.47Å; H146-C151 WeakPolarHBondContact CD2-CA 3.4Å; H146-C151 WeakPolarHBondContact NE2-CA 3.09Å
147F74.6Confident69.8Low110 Ų11091.4 Ų91.448%0.48253%0.532SS..  trans-85.4157.5175-71.5-79.7000111.5L134 T136 K149 D150 C151L134-F147 HydrophobicContact CD1-CD2 4.4Å; L134-F147 HydrophobicContact CD1-CE2 3.88Å; L134-F147 HydrophobicContact CD2-CE2 4.44Å; T136-F147 HydrophobicContact CG2-CE1 4.2Å; T136-F147 HydrophobicContact CG2-CZ 4.28Å; F147-K149 PolarHBondContact O-N 2.95Å; F147-D150 PolarHBondContact O-N 2.94Å; F147-C151 PolarHBondContact O-N 2.97Å
148T73.2Confident68.7Low50 Ų5096.4 Ų96.431%0.30755%0.549SS..THydrogen-bonded Turntrans-58.8-17.4179.441.70000115.3S139 K140S139-T148 WeakPolarHBondContact OG-CG2 3.24Å; K140-T148 HydrophobicContact CG-CG2 4.19Å
149K69.8Low68.1Low198 Ų198105.5 Ų105.586%0.86158%0.584SS**THydrogen-bonded Turntrans-81-26.1176.5-63.1-177.8179.4-177.20112.6F147F147-K149 PolarHBondContact O-N 2.95Å
150D70.1Confident67.1Low111 Ų111104.6 Ų104.659%0.59458%0.583SS**SBendtrans-105.916-178.3-55.9-71.6000112.1F147 F152F147-D150 PolarHBondContact O-N 2.94Å; D150-F152 PolarHBondContact O-N 3.11Å; D150-F152 VanDerWaalsContact O-N 3.16Å
151C70.8Confident66.4Low23 Ų23104.8 Ų104.816%0.15559%0.591CS.*  trans-74.2104.4-177.8-173.50000110.5K140 C141 H146 F147 S153K140-C151 HydrophobicContact CD-CB 4.49Å; C141-C151 VanDerWaalsContact SG-SG 3.64Å; H146-C151 VanDerWaalsContact CD2-CA 3.47Å; H146-C151 WeakPolarHBondContact CD2-CA 3.4Å; H146-C151 WeakPolarHBondContact NE2-CA 3.09Å; F147-C151 PolarHBondContact O-N 2.97Å; C151-S153 PolarHBondContact O-N 3.16Å; C151-S153 VanDerWaalsContact O-N 3.11Å
152F68.4Low65.8Low178 Ų178108.9 Ų108.978%0.78162%0.615SS**  trans-71.72.8-175.2-122.6-94.4000115.4D150 A154D150-F152 PolarHBondContact O-N 3.11Å; D150-F152 VanDerWaalsContact O-N 3.16Å; F152-A154 PolarHBondContact O-N 2.94Å
153S63.3Low65.4Low87 Ų87110.8 Ų110.861%0.60862%0.617SS**  trans-73.621.6177.4-49.20000114.2C151 P155C151-S153 PolarHBondContact O-N 3.16Å; C151-S153 VanDerWaalsContact O-N 3.11Å; S153-P155 WeakPolarHBondContact O-CD 3.27Å
154A62.3Low65.3Low68 Ų68116 Ų11656%0.56263%0.634SS**  trans-70.1123.7171.400000109F152 G156F152-A154 PolarHBondContact O-N 2.94Å; A154-G156 VanDerWaalsContact C-N 3.33Å; A154-G156 PolarHBondContact O-N 3.21Å
155P55.8Low64.7Low139 Ų139116.3 Ų116.390%0.90364%0.638SS**THydrogen-bonded Turntrans-73.989172.731.2-32.2000108.2S153S153-P155 WeakPolarHBondContact O-CD 3.27Å
156G59.7Low63.6Low64 Ų64121.4 Ų121.466%0.6666%0.657SS**THydrogen-bonded Turntrans174.9-9177.700000119.5A154A154-G156 VanDerWaalsContact C-N 3.33Å; A154-G156 PolarHBondContact O-N 3.21Å
157L55.7Low62.5Low120 Ų120127.1 Ų127.163%0.62869%0.689SS**  trans-117.871.1175.7-66.5175.6000110.3Y159L157-Y159 HydrophobicContact CB-CE2 4.4Å; L157-Y159 PolarHBondContact O-N 3Å
158Q52.5Low61.2Low193 Ų193126.2 Ų126.290%0.90270%0.702SS**  trans-79.6103.1156.8-64.8-147-0.900107.6A160Q158-A160 PolarHBondContact O-N 2.82Å
159Y61.7Low59.9Low196 Ų196132.6 Ų132.677%0.76973%0.729SS**  trans-73.3110.7159.9-78.5-92.4000106.8L157 L161L157-Y159 HydrophobicContact CB-CE2 4.4Å; L157-Y159 PolarHBondContact O-N 3Å; Y159-L161 PolarHBondContact O-N 2.99Å
160A57Low58.9Low91 Ų91127.8 Ų127.875%0.75273%0.726SS**PPolyproline II helixtrans-65.9123.816500000107.5Q158 V162Q158-A160 PolarHBondContact O-N 2.82Å; A160-V162 PolarHBondContact O-N 3.47Å
161L58.1Low58Low166 Ų166131.5 Ų131.587%0.86974%0.74SS**PPolyproline II helixtrans-54.5122.9170.7-67.6165.7000107.9Y159Y159-L161 PolarHBondContact O-N 2.99Å
162V65.2Low57.2Low128 Ų128139.3 Ų139.378%0.77677%0.774SS**PPolyproline II helixtrans-61.5126.4168.4177.90000106.5A160 E164A160-V162 PolarHBondContact O-N 3.47Å; V162-E164 PolarHBondContact O-N 3.31Å
163P65.3Low56.5Low94 Ų94139.5 Ų139.561%0.6178%0.777SS**PPolyproline II helixtrans-54.8124.9177.9-25.934.8000110.9E165P163-E165 PolarHBondContact O-N 3.36Å
164E63.7Low56.1Low185 Ų185143.5 Ų143.586%0.86479%0.786SS**  trans-72.384.5163.5-82.8179.7107.700107.8V162 D166V162-E164 PolarHBondContact O-N 3.31Å; E164-D166 VanDerWaalsContact C-N 3.3Å; E164-D166 PolarHBondContact O-N 3.22Å
165E60.4Low55.7Low166 Ų166148.9 Ų148.978%0.77680%0.8SS**THydrogen-bonded Turntrans-80.177.3164.247.9-172.688.400109.4P163P163-E165 PolarHBondContact O-N 3.36Å
166D54Low55.6Low140 Ų140151 Ų15175%0.74980%0.798SS**THydrogen-bonded Turntrans-16935.5153.9-115.7-59.8000115.3E164E164-D166 VanDerWaalsContact C-N 3.3Å; E164-D166 PolarHBondContact O-N 3.22Å
167D50.1Low55.3Low162 Ų162156.1 Ų156.187%0.86680%0.804SS**  trans-98.544172.3-123.7-57.9000112.2
168A48Very low55.1Low92 Ų92158.3 Ų158.376%0.7681%0.811SS**  trans-13116-172.800000116.7
169E46.3Very low54.3Low184 Ų184155.9 Ų155.986%0.8681%0.81SS**SBendtrans-127.924.6-177.7-136.1159.6115.900116.9
170A48.7Very low53.1Low97 Ų97151.5 Ų151.580%0.80282%0.815SS**SBendtrans-12321.4-179.900000116.5
171Q50.2Low52.1Low188 Ų188153.1 Ų153.188%0.87982%0.815SS**SBendtrans-123.112.8-177.9-68.2-169.8400117.2
172Q54Low51Low188 Ų188152.5 Ų152.588%0.87981%0.811SS**SBendtrans-100.42.7178.2-74-174.713.300116.4
173Q54.6Low49.4Very low182 Ų182157.9 Ų157.985%0.8582%0.817SS**SBendtrans-101.21.9179.6-72.8-176.515.400115.8
174Q54.3Low48.4Very low170 Ų170159.1 Ų159.179%0.79483%0.825SS**SBendtrans-104.30.6-178.6-69.7-174.917.600115.3
175Q54.4Low47.8Very low182 Ų182155.6 Ų155.685%0.8582%0.819SS**SBendtrans-109.613.9-174.9-131.1167.152.300116
176Q53.6Low46.7Very low183 Ų183156.7 Ų156.786%0.85582%0.824SS**SBendtrans-103.98.3170.5-70.2-179.320.200114.2
177Q53.8Low45.7Very low171 Ų171156.8 Ų156.880%0.79983%0.825SS**SBendtrans-102.314-179.9-72.7177.748.400114.6
178Q50.9Low45.5Very low166 Ų166153 Ų15378%0.77681%0.811SS**  trans-132.866.9-177.4-61.1-174.633.100112.4
179T36.9Very low45.5Very low142 Ų142155.4 Ų155.487%0.87181%0.811SS**  trans-151.3142.8144.250.20000109.7
180A35.5Very low45.5Very low105 Ų105156.7 Ų156.787%0.86881%0.814SS**  trans97.6111.6176.900000117.5
181T35.7Very low45.4Very low125 Ų125161.8 Ų161.877%0.76782%0.818SS**  trans-94.5147.5-168.439.90000115.1
182I36.5Very low45.4Very low153 Ų153160.8 Ų160.879%0.78581%0.81SS**  trans65.5109.2138.3-54.7160.8000121.1
183R31.2Very low45Very low240 Ų240161 Ų16191%0.90681%0.808SS**  175.5146.1125.9-94.3173.4-165.8-112.22.4111.4
184P42.8Very low44.7Very low120 Ų120161.4 Ų161.478%0.77981%0.807SS**  trans-111.1-173.7177.441.2-31.1000112.8
185P52.5Low44.5Very low112 Ų112161.8 Ų161.873%0.72781%0.806SS**  cis-110.3-175.3-47.533.5-17.3000109.8
186Q36.1Very low44.3Very low189 Ų189160.2 Ų160.288%0.88380%0.799SS**  trans174.8125.5138.1-70-127.8-36.700112.8
187D34.3Very low44.2Very low142 Ų142160.4 Ų160.476%0.75980%0.797SS**  trans51.8136.4141.5-138-112.2000125.4
188S45.5Very low44.1Very low83 Ų83160.8 Ų160.858%0.5880%0.796SS**  trans34.1112.9152.761.70000122
189D48.7Very low44.2Very low142 Ų142160.4 Ų160.476%0.75980%0.796SS**  trans169.271.2130-103.4-58000113.3
190K45.4Very low45Very low211 Ų211162.3 Ų162.392%0.91779%0.792SS**SBendtrans-130.423.1172.7-134171.8-173.2171.80114.9
191K46.1Very low45.7Very low204 Ų204165.2 Ų165.289%0.88779%0.785SS**SBendtrans-108.4-2.2176.1-158.9168.2179.61790114.6
192K49.8Very low46.4Very low167 Ų167166.8 Ų166.873%0.72678%0.782SS**SBendtrans-100.8-27.1-175.7-142.1169.9-178.4178.60115.4
193K46.3Very low47.1Very low191 Ų191167.2 Ų167.283%0.8378%0.778SS**Hα-helixtrans-82.4-15.1-173.9-125.7172.7-176.9173.30116
194K48.8Very low47.8Very low192 Ų192164.2 Ų164.284%0.83577%0.771SS**Hα-helixtrans-84.1-15.5179.3-161170.7179.6177.10113.3
195K49.3Very low47.9Very low178 Ų178168.3 Ų168.377%0.77477%0.771SS**Hα-helixtrans-86.7-29.5-177.2-153.9174.4-178.9-177.10113
196E50Low47.5Very low149 Ų149169.8 Ų169.870%0.69677%0.768SS**Hα-helixtrans-72.6-34.8-179.9-99.2-177.590.300114.3K198 M199E196-K198 VanDerWaalsContact C-N 3.29Å; E196-K198 PolarHBondContact O-N 3.01Å; E196-M199 PolarHBondContact O-N 3.09Å
197K52.4Low47.9Very low187 Ų187170.6 Ų170.681%0.81376%0.763SS**Hα-helixtrans-71.6-22.5-177.8-122.8176.9-177.6178.50113.4
198K50.9Low48.2Very low178 Ų178173.1 Ų173.177%0.77477%0.768SS**Hα-helixtrans-81.4-25.8-179.5-156.2174.3-178.7-177.90112.6E196E196-K198 VanDerWaalsContact C-N 3.29Å; E196-K198 PolarHBondContact O-N 3.01Å
199M53.6Low48.1Very low159 Ų159177.9 Ų177.978%0.78378%0.78SS**Hα-helixtrans-81-32.6-178.4-126.3172.9165.600113.1E196 K201 K202E196-M199 PolarHBondContact O-N 3.09Å; M199-K201 VanDerWaalsContact C-N 3.34Å; M199-K201 PolarHBondContact O-N 2.74Å; M199-K202 PolarHBondContact O-N 3.1Å
200K53.6Low47.8Very low181 Ų181175 Ų17579%0.78777%0.772SS**Hα-helixtrans-69.5-23.6177.3-93.2-179.1173.7175.40114.6
201K49.8Very low47.3Very low167 Ų167172.6 Ų172.673%0.72677%0.769SS**Hα-helixtrans-81.1-24179.5-163.6169.9179.6176.50113.3M199M199-K201 VanDerWaalsContact C-N 3.34Å; M199-K201 PolarHBondContact O-N 2.74Å
202K51.5Low46.8Very low158 Ų158168.7 Ų168.769%0.68777%0.767SS**Hα-helixtrans-77-37.5177.4-148.2179.6179.8-169.10111.8M199 K204 R205M199-K202 PolarHBondContact O-N 3.1Å; K202-K204 VanDerWaalsContact C-N 3.3Å; K202-K204 PolarHBondContact O-N 3.28Å; K202-R205 PolarHBondContact O-N 3.44Å
203K49.8Very low45.9Very low162 Ų162167.6 Ų167.670%0.70477%0.769SS**THydrogen-bonded Turntrans-73.5-8.7-177.8-146.8173.6-175.51770115.6
204K45.7Very low45.2Very low177 Ų177163.5 Ų163.577%0.7777%0.765SS**THydrogen-bonded Turntrans-97.2-12.6177.6-160.1175.9179.9-179.70113.5K202K202-K204 VanDerWaalsContact C-N 3.3Å; K202-K204 PolarHBondContact O-N 3.28Å
205R44.8Very low44.5Very low206 Ų206159.1 Ų159.178%0.77776%0.758SS**THydrogen-bonded Turntrans-87.1-30.3176.2-85.9-175.1169.1-173.4-5.5112.9K202 R207K202-R205 PolarHBondContact O-N 3.44Å; R205-R207 PolarHBondContact O-N 2.86Å
206E45.8Very low44.1Very low142 Ų142155.1 Ų155.166%0.66475%0.753SS**THydrogen-bonded Turntrans-82.714-178.2-62-179.114500114.3
207R43.1Very low43.4Very low207 Ų207156.8 Ų156.878%0.78176%0.761SS**THydrogen-bonded Turntrans-118.915.4176.2-78.4-170.4176-167.7-3113.8R205R205-R207 PolarHBondContact O-N 2.86Å
208K42.3Very low42.3Very low195 Ų195153.4 Ų153.485%0.84876%0.759SS**SBendtrans-11913.1176.3-99.3-164.6173.4-163.80113.8
209E41.4Very low41.4Very low182 Ų182153.8 Ų153.885%0.8576%0.761SS**SBendtrans-114.234.4176.2-70.9-176136.900112.2
210S43.3Very low40.6Very low83 Ų83152 Ų15258%0.5876%0.759SS**  trans-144.41411673.40000107.4
211D35.8Very low39.8Very low159 Ų159153.4 Ų153.485%0.8577%0.765SS**  trans85.5110.2-169.6-41.6-44.5000111.4
212S34.7Very low39.2Very low122 Ų122155.4 Ų155.485%0.85377%0.768SS**  cis-166.5151.133-39.60000111
213D31Very low38.4Very low145 Ų145159.6 Ų159.678%0.77578%0.78SS**  trans-83162.4175.5-163.6-90.2000112.6
214S32.5Very low37.7Very low104 Ų104161.4 Ų161.473%0.72778%0.782SS**  trans82.7124.8149.5-93.80000124.4
215S33.5Very low37.3Very low101 Ų101162 Ų16271%0.70679%0.787SS**  101.4123.7127.7-160.50000121.8
216S40.5Very low36.8Very low94 Ų94156.6 Ų156.666%0.65778%0.781SS**  trans68.9118.9135.960.10000122.3
217E35.6Very low36.3Very low184 Ų184157.4 Ų157.486%0.8679%0.79SS**  trans62.7136.1134.4-57.3-157.4102.900121.9
218C29.7Very low35.9Very low116 Ų116153.3 Ų153.378%0.78479%0.793SS**  trans120.3119.2130.791.50000118.9
219K30.6Very low36Very low186 Ų186152 Ų15281%0.80979%0.794SS**  trans64.5106.5134.3-86.2167175.41650120.4
220T37.5Very low36Very low122 Ų122150.6 Ų150.675%0.74879%0.792SS**  40.8120.8121.753.20000118.1
221K36.6Very low35.9Very low210 Ų210158.2 Ų158.291%0.91381%0.809SS**  -158.2117.3125.5-107.3158.4-170.1178.60112.1
222R36.8Very low36.4Very low209 Ų209159.7 Ų159.779%0.78981%0.81SS**  trans-41.3139.1161.6-64.9165.8163.3179.8-3.9111.7
223R35.5Very low37.1Very low245 Ų245162.6 Ų162.693%0.92581%0.811SS**  trans-141.3104.5133-86.5-164.5163.4175.7-5.8110
224R35Very low37.8Very low201 Ų201165.1 Ų165.176%0.75882%0.815SS**  trans-63.9139.8160.4-67.4174.4169.7176.1-5.7108.3
225H36.7Very low38.3Very low190 Ų190170.3 Ų170.388%0.8882%0.824SS**  trans-135105.1141.2-99.362000108.1
226S34.6Very low39Very low92 Ų92175.7 Ų175.764%0.64384%0.835SS**  trans-76.6130.816244.90000109
227N35.3Very low39.4Very low159 Ų159181 Ų18185%0.8585%0.846SS**  172.5113129-92.9-1.6000110.4
228S34.5Very low40Very low121 Ų121181.6 Ų181.685%0.84685%0.846SS**  trans-152.688.7152.4-175.50000107.3
229L44.5Very low40.7Very low167 Ų167185.7 Ų185.787%0.87485%0.853SS**  trans-101.6150.4153.6-72175.1000106.7
230D42.5Very low41.6Very low152 Ų152186.7 Ų186.781%0.81386%0.857SS**  trans87.880.7165.5-134.2-88.1000117.4
231R40.9Very low42Very low243 Ų243190.5 Ų190.592%0.91786%0.864SS**  trans-167.552.6142.8-109.9169-179.4-167.91.6112.7
232Q45.3Very low42.7Very low190 Ų190190 Ų19089%0.88886%0.864SS**  trans-114.376.1161.6-87.2-172.3-7.700109.4
233E49.2Very low43.3Very low184 Ų184190 Ų19086%0.8687%0.87SS**  trans-167.9146.8148.7-117.8-178.499.300109.1
234K46.3Very low43.8Very low198 Ų198183 Ų18386%0.86186%0.859SS**SBendtrans87.469.7-174-53.2169.8176.7174.70115.9
235K43.2Very low44.4Very low213 Ų213182.8 Ų182.893%0.92687%0.866SS**  trans-159.819.6137.1-107.4166.4-169.5-1740116
236K48Very low45.4Very low213 Ų213182 Ų18293%0.92686%0.86SS**  trans-101.576.8164.8-76.7-176176.7177.90110.5
237K48.5Very low45.7Very low207 Ų207185.3 Ų185.390%0.987%0.865SS**  trans-158.829.7168-117.8177.5-171-179.60114.9
238K47.9Very low46.3Very low195 Ų195186.9 Ų186.985%0.84889%0.889SS**SBendtrans-141.279.9170.2-77-170.9176.9-175.70109.5
239H44.5Very low46.9Very low202 Ų202190.2 Ų190.294%0.93589%0.891SS**  trans178.268.5153.2-91.4-62000108.5
240K49.8Very low47Very low208 Ų208191.4 Ų191.490%0.90489%0.892SS**  trans-157.868.5161.4-159.3174.1-177.7179.40110.7
241K47.3Very low47.3Very low202 Ų202193.6 Ų193.688%0.87890%0.896SS**  trans-164.692.2156.3-142.7173-177.71800109.3
242Q50.3Low47.7Very low198 Ų198190.7 Ų190.793%0.92590%0.895SS**  trans178.779.4148.9-100175.912.900108.1
243K49.5Very low47.8Very low209 Ų209190.8 Ų190.891%0.90990%0.895SS**  trans-163.686.8158.1-130-179-175.5-179.50109.1
244S46.3Very low47.7Very low100 Ų100191.2 Ų191.270%0.69990%0.898SS**  trans176.4106.3153.652.10000107.8
245H47.8Very low47.8Very low196 Ų196190.7 Ų190.791%0.90790%0.9SS**  -168.1127115.2-96.9-74.2000108.7
246K57.7Low48.2Very low172 Ų172189 Ų18975%0.74890%0.898SS**  trans-121.6138.6-178.5168.1170.3-176.4-177.40105.1
247H40.2Very low48.2Very low162 Ų162187 Ų18775%0.7590%0.896SS**  trans59.4124.6169-65.6-59.1000118.9
248S48.6Very low48.2Very low193 Ų193185.2 Ų185.2100%1.3590%0.896SS**  -152.6087-1170000110.3

Retrieved 248 of 248 residues in 72 ms (Link to these results)