A0A077Z981_TRITR Loading...

Zf-C3HC4 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z981, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 143 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
1M35.2Very low38.2Very low235 Ų235149.3 Ų149.3100%1.15881%0.809SS**  0126.7038-85.3-176.300109.1
2T37.4Very low39.7Very low130 Ų130141.4 Ų141.480%0.79878%0.779SS**  trans-66139.4-179.329.10000111.8K4T2-K4 PolarHBondContact O-N 2.97Å
3L35.4Very low41.8Very low154 Ų154139.8 Ų139.881%0.80676%0.763SS**  trans-62.4104.3174.7-69.1171.6000109.3H5L3-H5 PolarHBondContact O-N 3.11Å; L3-H5 VanDerWaalsContact O-N 3.12Å
4K30.7Very low44.8Very low197 Ų197138.1 Ų138.186%0.85775%0.749SS**  trans-74.995.4170.1-66.2-176.4179.6-175.60107.9T2T2-K4 PolarHBondContact O-N 2.97Å
5H37Very low47.8Very low145 Ų145131.1 Ų131.167%0.67172%0.715SS**  trans-72.1129.4159.9-68.584.7000107.7L3 V7L3-H5 PolarHBondContact O-N 3.11Å; L3-H5 VanDerWaalsContact O-N 3.12Å; H5-V7 VanDerWaalsContact C-N 3.27Å; H5-V7 PolarHBondContact O-N 3.39Å
6P36.8Very low50.6Low129 Ų129124.3 Ų124.384%0.83868%0.677SS**  trans-72.284.8172.429.7-31.8000108.9G8P6-G8 PolarHBondContact O-N 2.91Å
7V39.7Very low53.2Low119 Ų119124.4 Ų124.472%0.72167%0.672SS**  trans-81.592.6165.4-178.30000107H5 R9H5-V7 VanDerWaalsContact C-N 3.27Å; H5-V7 PolarHBondContact O-N 3.39Å; V7-R9 PolarHBondContact O-N 3.32Å
8G35.7Very low55.6Low66 Ų66117.5 Ų117.568%0.6864%0.635SS**  trans-58.6103.5158.300000108.7P6P6-G8 PolarHBondContact O-N 2.91Å
9R39.1Very low57.6Low242 Ų242114.6 Ų114.691%0.91363%0.625SS**SBendtrans32.2124.4142.8-150.1171.4-166.1157.71.7117.5V7V7-R9 PolarHBondContact O-N 3.32Å
10S44.8Very low59.6Low99 Ų99112.2 Ų112.269%0.69261%0.61SS**SBendtrans88.4111.2-169.8-169.40000110.2A12S10-A12 PolarHBondContact O-N 3.1Å
11V48.7Very low61.4Low126 Ų126109 Ų10976%0.76460%0.596SS**  trans-46.2113.1161.6174.70000105.1E13V11-E13 PolarHBondContact O-N 3.24Å
12A56.2Low64.2Low55 Ų55101.9 Ų101.946%0.45557%0.568SS.*  trans-56.3103.7169.600000103.9S10 M14S10-A12 PolarHBondContact O-N 3.1Å; A12-M14 PolarHBondContact O-N 3.35Å
13E66.6Low67Low121 Ų121100.1 Ų100.157%0.56555%0.554SS**  trans-64.7108.7-168.6-173.3147.3-162.100105.3V11 S15 G76V11-E13 PolarHBondContact O-N 3.24Å; E13-S15 WeakPolarHBondContact CG-OG 3.32Å; E13-S15 PolarHBondContact O-N 2.63Å; E13-S15 PolarHBondContact OE1-OG 2.79Å; E13-G76 PolarHBondContact O-N 3.02Å
14M84.4Confident69.7Low115 Ų11596.6 Ų96.657%0.56754%0.539SS*.SBendtrans-7123.3-179.6-64.1-65.8-66.100110.9A12 P26 M89A12-M14 PolarHBondContact O-N 3.35Å; M14-P26 WeakPolarHBondContact O-CA 3.33Å; M14-M89 HydrophobicContact CE-CE 3.41Å; M14-M89 VanDerWaalsContact CE-CE 3.41Å; M14-M89 HydrophobicContact CE-SD 4.38Å; M14-M89 HydrophobicContact SD-CE 4.12Å
15S89.8Confident72.8Confident34 Ų3489.9 Ų89.924%0.23851%0.51CS..  trans-133.3159.1-175.929.30000110.3E13 F25E13-S15 WeakPolarHBondContact CG-OG 3.32Å; E13-S15 PolarHBondContact O-N 2.63Å; E13-S15 PolarHBondContact OE1-OG 2.79Å; S15-F25 CarbonylContact C-O 3.57Å; S15-F25 WeakPolarHBondContact CA-O 3.3Å; S15-F25 WeakPolarHBondContact CB-O 3.33Å
16L92Very high75.4Confident22 Ų2287.3 Ų87.312%0.11551%0.506CS..EExtended strand (participates in β ladder)trans-124.3142176.9-63167.3000107.4T24 F25 L28 R73 G75L16-T24 CarbonylContact O-C 3.45Å; L16-T24 WeakPolarHBondContact O-CA 3.35Å; L16-F25 PolarHBondContact N-O 2.9Å; L16-F25 PolarHBondContact O-N 3.37Å; L16-L28 HydrophobicContact CB-CD1 3.53Å; L16-L28 HydrophobicContact CB-CG 3.74Å; L16-L28 HydrophobicContact CD1-CB 4.21Å; L16-L28 HydrophobicContact CD1-CD1 4.19Å; L16-L28 HydrophobicContact CD1-CG 3.98Å; L16-L28 HydrophobicContact CG-CD1 4.49Å; L16-R73 HydrophobicContact CD1-CB 4.03Å; L16-R73 HydrophobicContact CD1-CG 3.81Å; L16-R73 WeakPolarHBondContact CD1-O 3.33Å; L16-G75 VanDerWaalsContact CG-CA 3.48Å
17E94.3Very high78Confident126 Ų12686 Ų8659%0.58949%0.487SS*.EExtended strand (participates in β ladder)trans-84.6134.6174-170.5-177.487.700110.7D23 L28E17-D23 WeakPolarHBondContact CA-O 3.41Å; E17-L28 WeakPolarHBondContact O-CD1 3.47Å
18C96.4Very high80.6Confident0 Ų080.6 Ų80.60%045%0.454CS..  trans-84.4121.6169.7-178.90000110.2I20 C22 D23 F25 L28 C38C18-I20 PolarHBondContact O-N 2.74Å; C18-C22 WeakPolarHBondContact O-CA 3.45Å; C18-C22 PolarHBondContact O-N 3.29Å; C18-D23 PolarHBondContact N-O 3.4Å; C18-F25 HydrophobicContact CB-CD2 4.22Å; C18-F25 HydrophobicContact CB-CE2 4.03Å; C18-L28 HydrophobicContact CB-CD2 4.24Å; C18-C38 HydrophobicContact CB-CB 4Å; C18-C38 PolarHBondContact SG-N 2.81Å
19S94.8Very high83.5Confident63 Ų6378.5 Ų78.544%0.44143%0.426SS..THydrogen-bonded Turntrans-71.61.5-179.856.80000115.8F37S19-F37 VanDerWaalsContact OG-CE1 3.26Å; S19-F37 WeakPolarHBondContact OG-CE1 3.5Å
20I96.8Very high86.2Confident66 Ų6668.3 Ų68.334%0.33839%0.391SS..THydrogen-bonded Turntrans-96-52.4175.4-61.8166.3000110.7C18 F37 C41 I45 P54C18-I20 PolarHBondContact O-N 2.74Å; I20-F37 HydrophobicContact CD1-CB 4.14Å; I20-F37 HydrophobicContact CD1-CD1 3.42Å; I20-F37 VanDerWaalsContact CD1-CD1 3.42Å; I20-F37 HydrophobicContact CD1-CE1 3.98Å; I20-F37 HydrophobicContact CD1-CG 3.89Å; I20-F37 HydrophobicContact CG1-CD1 3.65Å; I20-F37 HydrophobicContact CG1-CE1 3.98Å; I20-C41 HydrophobicContact CB-CB 4.12Å; I20-C41 HydrophobicContact CD1-CB 3.72Å; I20-C41 HydrophobicContact CG2-CB 4.07Å; I20-I45 HydrophobicContact CD1-CD1 4.48Å; I20-P54 HydrophobicContact CD1-CG 4.01Å; I20-P54 HydrophobicContact CG1-CG 4.43Å
21C97.2Very high88.7Confident45 Ų4563.9 Ų63.930%0.30436%0.36SS..THydrogen-bonded Turntrans-100.8-8.9-178.367.30000114.2D23C21-D23 PolarHBondContact O-N 3.09Å; C21-D23 PolarHBondContact SG-OD2 3.44Å; C21-D23 VanDerWaalsContact SG-OD2 3.41Å
22C94.9Very high90.9Very high86 Ų8662.8 Ų62.858%0.58135%0.353SS*.  trans61.216.5-175.9-52.80000114.8C18C18-C22 WeakPolarHBondContact O-CA 3.45Å; C18-C22 PolarHBondContact O-N 3.29Å
23D95.6Very high92.8Very high93 Ų9360.9 Ų60.950%0.49734%0.337SS..  trans-88.1157.5173-64.5-47.7000111.9E17 C18 C21 F25E17-D23 WeakPolarHBondContact CA-O 3.41Å; C18-D23 PolarHBondContact N-O 3.4Å; C21-D23 PolarHBondContact O-N 3.09Å; C21-D23 PolarHBondContact SG-OD2 3.44Å; C21-D23 VanDerWaalsContact SG-OD2 3.41Å; D23-F25 HydrophobicContact CB-CD2 4.47Å; D23-F25 HydrophobicContact CB-CE2 3.6Å; D23-F25 HydrophobicContact CB-CZ 3.9Å; D23-F25 WeakPolarHBondContact O-CD2 3.42Å
24T93.5Very high94.1Very high79 Ų7963 Ų6349%0.48535%0.346SS..EExtended strand (participates in β ladder)trans-98.4136.7178.857.20000112.4L16L16-T24 CarbonylContact O-C 3.45Å; L16-T24 WeakPolarHBondContact O-CA 3.35Å
25F94.1Very high94.6Very high56 Ų5660.6 Ų60.625%0.24633%0.334CS..EExtended strand (participates in β ladder)trans-136.7145.6-178.2-61.8-90.3000111.3S15 L16 C18 D23 K27 L28 C38S15-F25 CarbonylContact C-O 3.57Å; S15-F25 WeakPolarHBondContact CA-O 3.3Å; S15-F25 WeakPolarHBondContact CB-O 3.33Å; L16-F25 PolarHBondContact N-O 2.9Å; L16-F25 PolarHBondContact O-N 3.37Å; C18-F25 HydrophobicContact CB-CD2 4.22Å; C18-F25 HydrophobicContact CB-CE2 4.03Å; D23-F25 HydrophobicContact CB-CD2 4.47Å; D23-F25 HydrophobicContact CB-CE2 3.6Å; D23-F25 HydrophobicContact CB-CZ 3.9Å; D23-F25 WeakPolarHBondContact O-CD2 3.42Å; F25-K27 PolarHBondContact O-N 3.23Å; F25-L28 HydrophobicContact CB-CD2 3.79Å; F25-L28 HydrophobicContact CD2-CD2 3.76Å; F25-L28 HydrophobicContact CG-CD2 4.04Å; F25-C38 HydrophobicContact CD1-CB 4.26Å; F25-C38 HydrophobicContact CD2-CB 3.57Å; F25-C38 HydrophobicContact CE1-CB 4.06Å; F25-C38 HydrophobicContact CE2-CB 3.3Å; F25-C38 HydrophobicContact CG-CB 4.04Å; F25-C38 HydrophobicContact CZ-CB 3.58Å
26P91.3Very high94.9Very high92 Ų9259.9 Ų59.960%0.59733%0.329SS*.SBendtrans-64.3-23.9177.126.7-35.2000113.1M14 G75M14-P26 WeakPolarHBondContact O-CA 3.33Å; P26-G75 PolarHBondContact O-N 3.46Å
27K91.9Very high95.2Very high101 Ų10158.8 Ų58.844%0.43932%0.324SS..EExtended strand (participates in β ladder)trans-148.8144.4175.865.2-174.7179.8-176.40111.3F25 R73 F74F25-K27 PolarHBondContact O-N 3.23Å; K27-R73 CarbonylContact C-O 3.46Å; K27-R73 WeakPolarHBondContact CA-O 3.06Å; K27-F74 HydrophobicContact CB-CD1 3.78Å; K27-F74 HydrophobicContact CB-CE1 4.01Å; K27-F74 HydrophobicContact CB-CG 4.49Å; K27-F74 HydrophobicContact CD-CD1 4.46Å; K27-F74 HydrophobicContact CD-CE1 3.86Å
28L95.3Very high95.3Very high5 Ų552.9 Ų52.93%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-116.8158.5171.4-59.8-178.9000109.6L16 E17 C18 F25 A36 F37 C38 S72 R73L16-L28 HydrophobicContact CB-CD1 3.53Å; L16-L28 HydrophobicContact CB-CG 3.74Å; L16-L28 HydrophobicContact CD1-CB 4.21Å; L16-L28 HydrophobicContact CD1-CD1 4.19Å; L16-L28 HydrophobicContact CD1-CG 3.98Å; L16-L28 HydrophobicContact CG-CD1 4.49Å; E17-L28 WeakPolarHBondContact O-CD1 3.47Å; C18-L28 HydrophobicContact CB-CD2 4.24Å; F25-L28 HydrophobicContact CB-CD2 3.79Å; F25-L28 HydrophobicContact CD2-CD2 3.76Å; F25-L28 HydrophobicContact CG-CD2 4.04Å; L28-A36 HydrophobicContact CB-CB 3.82Å; L28-A36 HydrophobicContact CD1-CB 4.43Å; L28-F37 CarbonylContact C-O 3.6Å; L28-F37 WeakPolarHBondContact CA-O 3.3Å; L28-F37 WeakPolarHBondContact CB-O 3.43Å; L28-C38 HydrophobicContact CD2-CB 3.84Å; L28-S72 CarbonylContact O-C 3.52Å; L28-S72 VanDerWaalsContact O-CA 3.3Å; L28-S72 WeakPolarHBondContact O-CA 3.39Å; L28-R73 PolarHBondContact N-O 3Å; L28-R73 PolarHBondContact O-N 3.48Å
29K96.8Very high95.3Very high22 Ų2255 Ų5510%0.09631%0.31CS..EExtended strand (participates in β ladder)trans-93.8128.9176.1-70.3-54.2-158.7172.40110.1A36 F37 P39 L42 V67 K68 L70 S72K29-A36 WeakPolarHBondContact O-CA 3.37Å; K29-F37 PolarHBondContact N-O 2.92Å; K29-F37 PolarHBondContact O-N 3.42Å; K29-P39 HydrophobicContact CG-CG 4.17Å; K29-L42 HydrophobicContact CB-CD1 3.5Å; K29-L42 HydrophobicContact CG-CD1 4.48Å; K29-V67 WeakPolarHBondContact CE-O 3.5Å; K29-V67 HydrophobicContact CG-CG1 4.09Å; K29-K68 WeakPolarHBondContact CE-O 3.37Å; K29-K68 PolarHBondContact NZ-O 3.32Å; K29-L70 HydrophobicContact CB-CB 4.05Å; K29-L70 HydrophobicContact CB-CD1 4.17Å; K29-L70 HydrophobicContact CD-CB 4.05Å; K29-L70 WeakPolarHBondContact CD-O 3.42Å; K29-L70 HydrophobicContact CG-CB 4.37Å; K29-L70 PolarHBondContact NZ-O 3.3Å; K29-S72 PolarHBondContact NZ-OG 3.09Å; K29-S72 VanDerWaalsContact NZ-OG 3.09Å
30T95.8Very high95.5Very high29 Ų2954.6 Ų54.618%0.17831%0.311CS..EExtended strand (participates in β ladder)trans-95.9127-174.8-52.50000110.3H35 V71 R73T30-H35 WeakPolarHBondContact CA-O 3.43Å; T30-V71 WeakPolarHBondContact CB-O 3.15Å; T30-V71 PolarHBondContact N-O 2.9Å; T30-V71 PolarHBondContact OG1-O 3.06Å; T30-R73 WeakPolarHBondContact OG1-CB 3.37Å
31L96.5Very high95.5Very high6 Ų651.8 Ų51.83%0.03130%0.297CS..PPolyproline II helixtrans-77.6168.3173-62.8-174.2000111.3C33 Q34 H35 F37 L42 I51 C53 T60 L70L31-C33 PolarHBondContact O-N 2.72Å; L31-C33 VanDerWaalsContact O-N 3.12Å; L31-Q34 PolarHBondContact O-N 3.16Å; L31-H35 PolarHBondContact N-O 2.78Å; L31-F37 HydrophobicContact CD1-CD2 4.18Å; L31-F37 HydrophobicContact CD1-CE2 3.84Å; L31-F37 HydrophobicContact CG-CD2 4.4Å; L31-F37 HydrophobicContact CG-CE2 4.41Å; L31-L42 HydrophobicContact CD2-CD1 4.21Å; L31-L42 HydrophobicContact CD2-CD2 4.24Å; L31-I51 HydrophobicContact CD1-CG2 3.97Å; L31-I51 HydrophobicContact CD2-CB 4.37Å; L31-I51 HydrophobicContact CD2-CD1 4.43Å; L31-I51 HydrophobicContact CD2-CG2 3.96Å; L31-C53 HydrophobicContact CD1-CB 3.79Å; L31-T60 WeakPolarHBondContact CB-OG1 3.45Å; L31-T60 HydrophobicContact CD2-CG2 4.24Å; L31-L70 HydrophobicContact CD2-CD1 3.97Å
32T94.8Very high95.6Very high102 Ų10249.7 Ų49.763%0.62628%0.282SS*.THydrogen-bonded Turntrans-60.3-24.4176.149.30000112.9Q34 T60T32-Q34 PolarHBondContact O-N 3.22Å; T32-T60 HydrophobicContact CG2-CG2 3.9Å; T32-T60 PolarHBondContact N-OG1 3.32Å; T32-T60 VanDerWaalsContact N-OG1 3.12Å; T32-T60 PolarHBondContact OG1-OG1 3.15Å
33C96.1Very high95.6Very high16 Ų1650.3 Ų50.311%0.10828%0.277CS..THydrogen-bonded Turntrans-80.46.7173.8680000114.8L31 H35 C56 Q58L31-C33 PolarHBondContact O-N 2.72Å; L31-C33 VanDerWaalsContact O-N 3.12Å; C33-H35 PolarHBondContact O-N 3.26Å; C33-H35 VanDerWaalsContact O-N 3.15Å; C33-H35 PolarHBondContact SG-ND1 2.96Å; C33-C56 VanDerWaalsContact CB-SG 3.53Å; C33-C56 VanDerWaalsContact SG-SG 3.61Å; C33-Q58 HydrophobicContact CB-CB 3.92Å; C33-Q58 HydrophobicContact CB-CG 4.43Å
34Q93.4Very high95.7Very high165 Ų16553.2 Ų53.277%0.77129%0.287SS*.SBendtrans67.80-179.2-53.5179-4.600116.6L31 T32L31-Q34 PolarHBondContact O-N 3.16Å; T32-Q34 PolarHBondContact O-N 3.22Å
35H96.4Very high95.8Very high65 Ų6552.5 Ų52.530%0.30128%0.28SS..  trans-76145.5167.7-61.7106.1000111.1T30 L31 C33 F37 L55T30-H35 WeakPolarHBondContact CA-O 3.43Å; L31-H35 PolarHBondContact N-O 2.78Å; C33-H35 PolarHBondContact O-N 3.26Å; C33-H35 VanDerWaalsContact O-N 3.15Å; C33-H35 PolarHBondContact SG-ND1 2.96Å; H35-F37 HydrophobicContact CB-CE2 3.8Å; H35-F37 HydrophobicContact CB-CZ 4.05Å; H35-L55 HydrophobicContact CB-CD1 4.14Å; H35-L55 VanDerWaalsContact CD2-CD1 3.43Å; H35-L55 WeakPolarHBondContact CD2-CD1 3.26Å
36A95.4Very high95.9Very high18 Ų1852.9 Ų52.915%0.14928%0.283CS..EExtended strand (participates in β ladder)trans-127141.1-175.600000112.8L28 K29 R73L28-A36 HydrophobicContact CB-CB 3.82Å; L28-A36 HydrophobicContact CD1-CB 4.43Å; K29-A36 WeakPolarHBondContact O-CA 3.37Å; A36-R73 HydrophobicContact CB-CB 4.24Å
37F97.9Very high96.1Very high0 Ų056.6 Ų56.60%029%0.29CS..EExtended strand (participates in β ladder)trans-142.7164.7-177.4-51.7-87.6000110.8S19 I20 L28 K29 L31 H35 L42 P54 L55S19-F37 VanDerWaalsContact OG-CE1 3.26Å; S19-F37 WeakPolarHBondContact OG-CE1 3.5Å; I20-F37 HydrophobicContact CD1-CB 4.14Å; I20-F37 HydrophobicContact CD1-CD1 3.42Å; I20-F37 VanDerWaalsContact CD1-CD1 3.42Å; I20-F37 HydrophobicContact CD1-CE1 3.98Å; I20-F37 HydrophobicContact CD1-CG 3.89Å; I20-F37 HydrophobicContact CG1-CD1 3.65Å; I20-F37 HydrophobicContact CG1-CE1 3.98Å; L28-F37 CarbonylContact C-O 3.6Å; L28-F37 WeakPolarHBondContact CA-O 3.3Å; L28-F37 WeakPolarHBondContact CB-O 3.43Å; K29-F37 PolarHBondContact N-O 2.92Å; K29-F37 PolarHBondContact O-N 3.42Å; L31-F37 HydrophobicContact CD1-CD2 4.18Å; L31-F37 HydrophobicContact CD1-CE2 3.84Å; L31-F37 HydrophobicContact CG-CD2 4.4Å; L31-F37 HydrophobicContact CG-CE2 4.41Å; H35-F37 HydrophobicContact CB-CE2 3.8Å; H35-F37 HydrophobicContact CB-CZ 4.05Å; F37-L42 HydrophobicContact CB-CD2 3.75Å; F37-L42 HydrophobicContact CB-CG 3.91Å; F37-L42 HydrophobicContact CD2-CD2 3.78Å; F37-L42 HydrophobicContact CG-CD2 4.07Å; F37-P54 HydrophobicContact CE1-CG 4.43Å; F37-P54 HydrophobicContact CZ-CG 4.33Å; F37-L55 HydrophobicContact CE1-CD1 4.09Å; F37-L55 HydrophobicContact CE1-CG 4.23Å; F37-L55 HydrophobicContact CZ-CD1 3.77Å; F37-L55 HydrophobicContact CZ-CG 3.9Å
38C97.2Very high96.2Very high2 Ų258 Ų581%0.01430%0.302CS..  trans-71.1152.3-179.776.30000110.4C18 F25 L28 A40 C41 L42C18-C38 HydrophobicContact CB-CB 4Å; C18-C38 PolarHBondContact SG-N 2.81Å; F25-C38 HydrophobicContact CD1-CB 4.26Å; F25-C38 HydrophobicContact CD2-CB 3.57Å; F25-C38 HydrophobicContact CE1-CB 4.06Å; F25-C38 HydrophobicContact CE2-CB 3.3Å; F25-C38 HydrophobicContact CG-CB 4.04Å; F25-C38 HydrophobicContact CZ-CB 3.58Å; L28-C38 HydrophobicContact CD2-CB 3.84Å; C38-A40 VanDerWaalsContact C-N 3.28Å; C38-A40 PolarHBondContact O-N 3.39Å; C38-C41 PolarHBondContact O-N 3.32Å; C38-C41 VanDerWaalsContact SG-CB 3.58Å; C38-C41 PolarHBondContact SG-N 2.8Å; C38-C41 VanDerWaalsContact SG-N 3.39Å; C38-C41 PolarHBondContact SG-SG 2.8Å; C38-L42 PolarHBondContact O-N 2.8Å; C38-L42 VanDerWaalsContact O-N 3.13Å
39P96.6Very high96.2Very high44 Ų4465.1 Ų65.129%0.28633%0.329SS..Hα-helixtrans-55.6-42.5-178.8-24.732.6000113.1K29 C41 L42 E43 V67K29-P39 HydrophobicContact CG-CG 4.17Å; P39-C41 PolarHBondContact O-N 3.35Å; P39-L42 PolarHBondContact O-N 3.13Å; P39-E43 WeakPolarHBondContact O-CG 3.2Å; P39-E43 PolarHBondContact O-N 2.85Å; P39-V67 HydrophobicContact CB-CG1 4.33Å
40A97.3Very high96.1Very high55 Ų5568 Ų6846%0.45534%0.341SS..Hα-helixtrans-61.9-45.7-178.400000112.4C38 L42 E43 Q44C38-A40 VanDerWaalsContact C-N 3.28Å; C38-A40 PolarHBondContact O-N 3.39Å; A40-L42 VanDerWaalsContact C-N 3.33Å; A40-L42 PolarHBondContact O-N 3.39Å; A40-E43 PolarHBondContact O-N 2.9Å; A40-Q44 WeakPolarHBondContact O-CG 3.38Å; A40-Q44 PolarHBondContact O-N 3.3Å; A40-Q44 VanDerWaalsContact O-N 3.09Å
41C98.3Very high96.2Very high7 Ų766.7 Ų66.75%0.04733%0.333CS..Hα-helixtrans-66.8-35.1177.3-70.90000112.3I20 C38 P39 Q44 I45I20-C41 HydrophobicContact CB-CB 4.12Å; I20-C41 HydrophobicContact CD1-CB 3.72Å; I20-C41 HydrophobicContact CG2-CB 4.07Å; C38-C41 PolarHBondContact O-N 3.32Å; C38-C41 VanDerWaalsContact SG-CB 3.58Å; C38-C41 PolarHBondContact SG-N 2.8Å; C38-C41 VanDerWaalsContact SG-N 3.39Å; C38-C41 PolarHBondContact SG-SG 2.8Å; P39-C41 PolarHBondContact O-N 3.35Å; C41-Q44 PolarHBondContact O-N 2.78Å; C41-I45 WeakPolarHBondContact O-CG1 3.44Å; C41-I45 PolarHBondContact O-N 2.91Å
42L97.8Very high96.3Very high0 Ų073.1 Ų73.10%036%0.361CS..Hα-helixtrans-67.5-41.5175.1-71.6-170.3000112.3K29 L31 F37 C38 P39 A40 Q44 I45 E46 I51 V67 L70K29-L42 HydrophobicContact CB-CD1 3.5Å; K29-L42 HydrophobicContact CG-CD1 4.48Å; L31-L42 HydrophobicContact CD2-CD1 4.21Å; L31-L42 HydrophobicContact CD2-CD2 4.24Å; F37-L42 HydrophobicContact CB-CD2 3.75Å; F37-L42 HydrophobicContact CB-CG 3.91Å; F37-L42 HydrophobicContact CD2-CD2 3.78Å; F37-L42 HydrophobicContact CG-CD2 4.07Å; C38-L42 PolarHBondContact O-N 2.8Å; C38-L42 VanDerWaalsContact O-N 3.13Å; P39-L42 PolarHBondContact O-N 3.13Å; A40-L42 VanDerWaalsContact C-N 3.33Å; A40-L42 PolarHBondContact O-N 3.39Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.12Å; L42-I45 HydrophobicContact CD2-CD1 4.09Å; L42-I45 WeakPolarHBondContact O-CG1 3.48Å; L42-I45 PolarHBondContact O-N 3.12Å; L42-E46 WeakPolarHBondContact O-CB 3.49Å; L42-E46 PolarHBondContact O-N 3.48Å; L42-I51 HydrophobicContact CB-CD1 4Å; L42-I51 HydrophobicContact CD2-CD1 4.26Å; L42-I51 HydrophobicContact CD2-CG2 4.19Å; L42-I51 HydrophobicContact CG-CD1 4.5Å; L42-V67 HydrophobicContact CB-CB 4.47Å; L42-V67 HydrophobicContact CB-CG1 3.72Å; L42-V67 HydrophobicContact CB-CG2 3.81Å; L42-V67 HydrophobicContact CD1-CG1 4.02Å; L42-L70 HydrophobicContact CD1-CD1 3.76Å
43E96.6Very high96.4Very high99 Ų9968.3 Ų68.346%0.46333%0.331SS..Hα-helixtrans-62.9-33.3176.2-73.6173179.200111.6P39 A40 V67P39-E43 WeakPolarHBondContact O-CG 3.2Å; P39-E43 PolarHBondContact O-N 2.85Å; A40-E43 PolarHBondContact O-N 2.9Å; E43-V67 HydrophobicContact CG-CB 4.02Å; E43-V67 HydrophobicContact CG-CG1 4.33Å; E43-V67 HydrophobicContact CG-CG2 3.96Å
44Q96.9Very high96.4Very high154 Ų15471 Ų7172%0.7235%0.349SS*.Hα-helixtrans-70.2-33.3176.8-75.3173.9-21.200114A40 C41 L42A40-Q44 WeakPolarHBondContact O-CG 3.38Å; A40-Q44 PolarHBondContact O-N 3.3Å; A40-Q44 VanDerWaalsContact O-N 3.09Å; C41-Q44 PolarHBondContact O-N 2.78Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.12Å
45I96.1Very high96.6Very high65 Ų6568 Ų6833%0.33334%0.337SS..Hα-helixtrans-98.6-4-178.769177.1000112.9I20 C41 L42 F47 I51 P54I20-I45 HydrophobicContact CD1-CD1 4.48Å; C41-I45 WeakPolarHBondContact O-CG1 3.44Å; C41-I45 PolarHBondContact O-N 2.91Å; L42-I45 HydrophobicContact CD2-CD1 4.09Å; L42-I45 WeakPolarHBondContact O-CG1 3.48Å; L42-I45 PolarHBondContact O-N 3.12Å; I45-F47 PolarHBondContact O-N 3.07Å; I45-I51 HydrophobicContact CD1-CG2 3.88Å; I45-I51 HydrophobicContact CG1-CG2 4.12Å; I45-P54 HydrophobicContact CD1-CG 3.86Å
46E95.4Very high96.7Very high64 Ų6467.2 Ų67.230%0.29934%0.338SS..  trans-64126.3173.4-177.2-174.6159.300109.9L42 I51 L62L42-E46 WeakPolarHBondContact O-CB 3.49Å; L42-E46 PolarHBondContact O-N 3.48Å; E46-I51 HydrophobicContact CB-CD1 4.36Å; E46-I51 HydrophobicContact CB-CG1 4.05Å; E46-I51 HydrophobicContact CG-CG1 4.32Å; E46-L62 HydrophobicContact CG-CD1 3.63Å; E46-L62 VanDerWaalsContact OE2-CD1 3.32Å; E46-L62 WeakPolarHBondContact OE2-CD1 3.42Å
47F95.5Very high96.7Very high170 Ų17076.6 Ų76.675%0.74637%0.37SS*.BIsolated β-bridgetrans-136.1123.4173.4-175.2-102.4000110.3I45 R49 K50I45-F47 PolarHBondContact O-N 3.07Å; F47-R49 VanDerWaalsContact C-N 3.34Å; F47-R49 PolarHBondContact O-N 3.41Å; F47-K50 PolarHBondContact N-O 3.45Å; F47-K50 WeakPolarHBondContact O-CB 3.44Å; F47-K50 PolarHBondContact O-N 3.41Å; F47-K50 VanDerWaalsContact O-O 3.13Å
48N94.5Very high96.7Very high131 Ų13182 Ų8270%0.70140%0.395SS*.THydrogen-bonded Turntrans52.946.6179.3-161.435.7000113.4K50N48-K50 PolarHBondContact O-N 3.22Å
49R94.3Very high96.7Very high154 Ų15485.8 Ų85.858%0.58141%0.413SS*.THydrogen-bonded Turntrans57.428.2-175.7-56.3-177.5-179.8175.7-0.4114F47 L62F47-R49 VanDerWaalsContact C-N 3.34Å; F47-R49 PolarHBondContact O-N 3.41Å; R49-L62 HydrophobicContact CB-CB 4.35Å; R49-L62 PolarHBondContact O-N 2.89Å
50K96.5Very high96.7Very high83 Ų8383.8 Ų83.836%0.36140%0.4SS..EExtended strand (participates in β ladder)trans-132.1141.3178.5-68168.5167.5-135.80109.5F47 N48 E59 T60 T61F47-K50 PolarHBondContact N-O 3.45Å; F47-K50 WeakPolarHBondContact O-CB 3.44Å; F47-K50 PolarHBondContact O-N 3.41Å; F47-K50 VanDerWaalsContact O-O 3.13Å; N48-K50 PolarHBondContact O-N 3.22Å; K50-E59 HydrophobicContact CB-CG 4.17Å; K50-E59 VanDerWaalsContact CD-OE1 3.3Å; K50-E59 WeakPolarHBondContact CD-OE1 3.48Å; K50-E59 WeakPolarHBondContact CE-OE1 3.42Å; K50-E59 HydrophobicContact CG-CG 4.43Å; K50-E59 IonicContact NZ-OE1 2.74Å; K50-E59 PolarHBondContact NZ-OE1 2.79Å; K50-T60 WeakPolarHBondContact CA-O 3.41Å; K50-T61 HydrophobicContact CG-CG2 4.2Å
51I97.7Very high96.7Very high0 Ų085.8 Ų85.80%041%0.407CS..EExtended strand (participates in β ladder)trans-122.8127.3173.8-68.3174.1000107.7L31 L42 I45 E46 E59 T60 L62 V67L31-I51 HydrophobicContact CD1-CG2 3.97Å; L31-I51 HydrophobicContact CD2-CB 4.37Å; L31-I51 HydrophobicContact CD2-CD1 4.43Å; L31-I51 HydrophobicContact CD2-CG2 3.96Å; L42-I51 HydrophobicContact CB-CD1 4Å; L42-I51 HydrophobicContact CD2-CD1 4.26Å; L42-I51 HydrophobicContact CD2-CG2 4.19Å; L42-I51 HydrophobicContact CG-CD1 4.5Å; I45-I51 HydrophobicContact CD1-CG2 3.88Å; I45-I51 HydrophobicContact CG1-CG2 4.12Å; E46-I51 HydrophobicContact CB-CD1 4.36Å; E46-I51 HydrophobicContact CB-CG1 4.05Å; E46-I51 HydrophobicContact CG-CG1 4.32Å; I51-E59 CarbonylContact O-C 3.56Å; I51-E59 WeakPolarHBondContact O-CA 3.42Å; I51-T60 PolarHBondContact N-O 3.01Å; I51-T60 PolarHBondContact O-N 3.18Å; I51-L62 HydrophobicContact CD1-CD1 3.87Å; I51-L62 HydrophobicContact CD1-CD2 4.18Å; I51-L62 HydrophobicContact CD1-CG 4.38Å; I51-L62 HydrophobicContact CG1-CD1 4.15Å; I51-V67 HydrophobicContact CD1-CG2 3.8Å
52K97.5Very high96.6Very high141 Ų14186.3 Ų86.361%0.61341%0.409SS*.EExtended strand (participates in β ladder)trans-93.9122.8168.1-70.9-177.3-1801770108.7P54 E59K52-P54 WeakPolarHBondContact O-CD 3.15Å; K52-E59 WeakPolarHBondContact CE-OE2 3.18Å; K52-E59 HydrophobicContact CG-CG 4.48Å
53C97.9Very high96.4Very high2 Ų289.6 Ų89.61%0.01443%0.426CS..  trans-60124.3-179.1-179.80000111.1L31 L55 R57 Q58L31-C53 HydrophobicContact CD1-CB 3.79Å; C53-L55 PolarHBondContact O-N 2.82Å; C53-L55 PolarHBondContact SG-N 3.05Å; C53-R57 WeakPolarHBondContact O-CA 3.36Å; C53-R57 PolarHBondContact O-N 3.01Å; C53-Q58 WeakPolarHBondContact CB-O 3.19Å; C53-Q58 PolarHBondContact N-O 2.76Å
54P96.2Very high96.2Very high72 Ų7288.8 Ų88.847%0.46844%0.436SS..THydrogen-bonded Turntrans-61.4-24.4177.4-26.836.6000114.2I20 F37 I45 K52I20-P54 HydrophobicContact CD1-CG 4.01Å; I20-P54 HydrophobicContact CG1-CG 4.43Å; F37-P54 HydrophobicContact CE1-CG 4.43Å; F37-P54 HydrophobicContact CZ-CG 4.33Å; I45-P54 HydrophobicContact CD1-CG 3.86Å; K52-P54 WeakPolarHBondContact O-CD 3.15Å
55L96.7Very high96Very high101 Ų10188.7 Ų88.753%0.52943%0.434SS..THydrogen-bonded Turntrans-89.3-47-176.4-61173.4000112.8H35 F37 C53H35-L55 HydrophobicContact CB-CD1 4.14Å; H35-L55 VanDerWaalsContact CD2-CD1 3.43Å; H35-L55 WeakPolarHBondContact CD2-CD1 3.26Å; F37-L55 HydrophobicContact CE1-CD1 4.09Å; F37-L55 HydrophobicContact CE1-CG 4.23Å; F37-L55 HydrophobicContact CZ-CD1 3.77Å; F37-L55 HydrophobicContact CZ-CG 3.9Å; C53-L55 PolarHBondContact O-N 2.82Å; C53-L55 PolarHBondContact SG-N 3.05Å
56C97.4Very high95.9Very high49 Ų4986.2 Ų86.233%0.33143%0.425SS..THydrogen-bonded Turntrans-118.8-1.8-173.9710000114.9C33 Q58C33-C56 VanDerWaalsContact CB-SG 3.53Å; C33-C56 VanDerWaalsContact SG-SG 3.61Å; C56-Q58 PolarHBondContact O-N 2.84Å
57R96.1Very high95.8Very high215 Ų21583.3 Ų83.381%0.81141%0.411SS*.  trans62.52.1-179.4-52178.1-178.8-173.4-0.5116C53C53-R57 WeakPolarHBondContact O-CA 3.36Å; C53-R57 PolarHBondContact O-N 3.01Å
58Q97.9Very high95.7Very high113 Ų11382.7 Ų82.753%0.52841%0.408SS..  trans-62139171.9-69.7-173.8-25.600110.3C33 C53 C56C33-Q58 HydrophobicContact CB-CB 3.92Å; C33-Q58 HydrophobicContact CB-CG 4.43Å; C53-Q58 WeakPolarHBondContact CB-O 3.19Å; C53-Q58 PolarHBondContact N-O 2.76Å; C56-Q58 PolarHBondContact O-N 2.84Å
59E97.1Very high95.7Very high82 Ų8281 Ų8138%0.38340%0.399SS..EExtended strand (participates in β ladder)trans-91.1134.4-178.4-171170.5101.500110.6K50 I51 K52K50-E59 HydrophobicContact CB-CG 4.17Å; K50-E59 VanDerWaalsContact CD-OE1 3.3Å; K50-E59 WeakPolarHBondContact CD-OE1 3.48Å; K50-E59 WeakPolarHBondContact CE-OE1 3.42Å; K50-E59 HydrophobicContact CG-CG 4.43Å; K50-E59 IonicContact NZ-OE1 2.74Å; K50-E59 PolarHBondContact NZ-OE1 2.79Å; I51-E59 CarbonylContact O-C 3.56Å; I51-E59 WeakPolarHBondContact O-CA 3.42Å; K52-E59 WeakPolarHBondContact CE-OE2 3.18Å; K52-E59 HydrophobicContact CG-CG 4.48Å
60T97.4Very high95.7Very high2 Ų274.8 Ų74.81%0.01238%0.377CS..EExtended strand (participates in β ladder)trans-114119.7171.3-62.50000108.7L31 T32 K50 I51 L70L31-T60 WeakPolarHBondContact CB-OG1 3.45Å; L31-T60 HydrophobicContact CD2-CG2 4.24Å; T32-T60 HydrophobicContact CG2-CG2 3.9Å; T32-T60 PolarHBondContact N-OG1 3.32Å; T32-T60 VanDerWaalsContact N-OG1 3.12Å; T32-T60 PolarHBondContact OG1-OG1 3.15Å; K50-T60 WeakPolarHBondContact CA-O 3.41Å; I51-T60 PolarHBondContact N-O 3.01Å; I51-T60 PolarHBondContact O-N 3.18Å; T60-L70 HydrophobicContact CG2-CD2 4.07Å
61T96.8Very high95.5Very high98 Ų9876 Ų7660%0.60139%0.392SS*.EExtended strand (participates in β ladder)trans-82.9129.6172.350.50000110.3K50K50-T61 HydrophobicContact CG-CG2 4.2Å
62L95.5Very high95.2Very high17 Ų1777.3 Ų77.39%0.08940%0.4CS..  trans-92.6150.9177.9-56.2175.6000110.8E46 R49 I51 V67 L70E46-L62 HydrophobicContact CG-CD1 3.63Å; E46-L62 VanDerWaalsContact OE2-CD1 3.32Å; E46-L62 WeakPolarHBondContact OE2-CD1 3.42Å; R49-L62 HydrophobicContact CB-CB 4.35Å; R49-L62 PolarHBondContact O-N 2.89Å; I51-L62 HydrophobicContact CD1-CD1 3.87Å; I51-L62 HydrophobicContact CD1-CD2 4.18Å; I51-L62 HydrophobicContact CD1-CG 4.38Å; I51-L62 HydrophobicContact CG1-CD1 4.15Å; L62-V67 HydrophobicContact CD1-CG2 4.07Å; L62-L70 HydrophobicContact CD2-CD1 3.92Å; L62-L70 HydrophobicContact CD2-CD2 3.77Å; L62-L70 HydrophobicContact CD2-CG 3.89Å
63N93.9Very high94.8Very high70 Ų7074.4 Ų74.437%0.37439%0.385SS..  trans-85.7-170171.669.110.7000111.2F65 G66 D69N63-F65 PolarHBondContact O-N 3.45Å; N63-F65 VanDerWaalsContact O-N 3.11Å; N63-F65 WeakPolarHBondContact OD1-CB 3.49Å; N63-F65 PolarHBondContact OD1-N 3.19Å; N63-G66 PolarHBondContact O-N 2.82Å; N63-G66 VanDerWaalsContact O-N 3.1Å; N63-D69 PolarHBondContact ND2-OD2 2.74Å
64A92.2Very high94.4Very high81 Ų8177.6 Ų77.667%0.66940%0.399SS*.THydrogen-bonded Turntrans-61.1-19.6-178.700000114.3
65F93.3Very high94Very high153 Ų15374.2 Ų74.267%0.67138%0.377SS*.THydrogen-bonded Turntrans-93.1-2.2-179.7-59-74.3000113.2N63 D69N63-F65 PolarHBondContact O-N 3.45Å; N63-F65 VanDerWaalsContact O-N 3.11Å; N63-F65 WeakPolarHBondContact OD1-CB 3.49Å; N63-F65 PolarHBondContact OD1-N 3.19Å; F65-D69 HydrophobicContact CB-CB 3.75Å
66G93.4Very high93.5Very high13 Ų1369.6 Ų69.613%0.13436%0.355CS..G310 helixtrans65.1-147.5174.600000113.5N63 K68 D69N63-G66 PolarHBondContact O-N 2.82Å; N63-G66 VanDerWaalsContact O-N 3.1Å; G66-K68 PolarHBondContact O-N 3.39Å; G66-K68 VanDerWaalsContact O-N 3.16Å; G66-D69 PolarHBondContact O-N 3.01Å
67V95Very high92.9Very high3 Ų369.8 Ų69.82%0.01836%0.356CS..G310 helixtrans-56.9-29.6-179172.30000113.5K29 P39 L42 E43 I51 L62 D69 L70K29-V67 WeakPolarHBondContact CE-O 3.5Å; K29-V67 HydrophobicContact CG-CG1 4.09Å; P39-V67 HydrophobicContact CB-CG1 4.33Å; L42-V67 HydrophobicContact CB-CB 4.47Å; L42-V67 HydrophobicContact CB-CG1 3.72Å; L42-V67 HydrophobicContact CB-CG2 3.81Å; L42-V67 HydrophobicContact CD1-CG1 4.02Å; E43-V67 HydrophobicContact CG-CB 4.02Å; E43-V67 HydrophobicContact CG-CG1 4.33Å; E43-V67 HydrophobicContact CG-CG2 3.96Å; I51-V67 HydrophobicContact CD1-CG2 3.8Å; L62-V67 HydrophobicContact CD1-CG2 4.07Å; V67-D69 PolarHBondContact O-N 2.85Å; V67-L70 HydrophobicContact CG1-CD1 4.44Å; V67-L70 WeakPolarHBondContact O-CB 3.43Å; V67-L70 PolarHBondContact O-N 3.41Å
68K92.4Very high92.4Very high157 Ų15761.9 Ų61.968%0.68333%0.33SS*.G310 helixtrans-64.7-27.5-175.3-67.2179.7-178.3176.10113.2K29 G66K29-K68 WeakPolarHBondContact CE-O 3.37Å; K29-K68 PolarHBondContact NZ-O 3.32Å; G66-K68 PolarHBondContact O-N 3.39Å; G66-K68 VanDerWaalsContact O-N 3.16Å
69D94Very high91.8Very high94 Ų9462.5 Ų62.550%0.50333%0.333SS..G310 helixtrans-89.3-6-178.5-164.368.4000113.8N63 F65 G66 V67N63-D69 PolarHBondContact ND2-OD2 2.74Å; F65-D69 HydrophobicContact CB-CB 3.75Å; G66-D69 PolarHBondContact O-N 3.01Å; V67-D69 PolarHBondContact O-N 2.85Å
70L94.8Very high91.3Very high24 Ų2458.6 Ų58.613%0.12632%0.315CS..SBendtrans-60.9144.5173-68.2175.4000111.1K29 L31 L42 T60 L62 V67 S72K29-L70 HydrophobicContact CB-CB 4.05Å; K29-L70 HydrophobicContact CB-CD1 4.17Å; K29-L70 HydrophobicContact CD-CB 4.05Å; K29-L70 WeakPolarHBondContact CD-O 3.42Å; K29-L70 HydrophobicContact CG-CB 4.37Å; K29-L70 PolarHBondContact NZ-O 3.3Å; L31-L70 HydrophobicContact CD2-CD1 3.97Å; L42-L70 HydrophobicContact CD1-CD1 3.76Å; T60-L70 HydrophobicContact CG2-CD2 4.07Å; L62-L70 HydrophobicContact CD2-CD1 3.92Å; L62-L70 HydrophobicContact CD2-CD2 3.77Å; L62-L70 HydrophobicContact CD2-CG 3.89Å; V67-L70 HydrophobicContact CG1-CD1 4.44Å; V67-L70 WeakPolarHBondContact O-CB 3.43Å; V67-L70 PolarHBondContact O-N 3.41Å; L70-S72 PolarHBondContact O-N 3.12Å
71V91.9Very high90.6Very high110 Ų11062.3 Ų62.367%0.66734%0.337SS*.PPolyproline II helixtrans-55.3136.9174.3179.60000108.9T30T30-V71 WeakPolarHBondContact CB-O 3.15Å; T30-V71 PolarHBondContact N-O 2.9Å; T30-V71 PolarHBondContact OG1-O 3.06Å
72S91.3Very high90.1Very high26 Ų2661.4 Ų61.418%0.18233%0.329CS..EExtended strand (participates in β ladder)trans-96.9135-179.6-53.20000110.5L28 K29 L70L28-S72 CarbonylContact O-C 3.52Å; L28-S72 VanDerWaalsContact O-CA 3.3Å; L28-S72 WeakPolarHBondContact O-CA 3.39Å; K29-S72 PolarHBondContact NZ-OG 3.09Å; K29-S72 VanDerWaalsContact NZ-OG 3.09Å; L70-S72 PolarHBondContact O-N 3.12Å
73R90Very high89.8Confident80 Ų8063.8 Ų63.830%0.30235%0.346SS..EExtended strand (participates in β ladder)trans-95.9123.3163.8-170.2-178.7149112.15.2107.6L16 K27 L28 T30 A36 D88 T90L16-R73 HydrophobicContact CD1-CB 4.03Å; L16-R73 HydrophobicContact CD1-CG 3.81Å; L16-R73 WeakPolarHBondContact CD1-O 3.33Å; K27-R73 CarbonylContact C-O 3.46Å; K27-R73 WeakPolarHBondContact CA-O 3.06Å; L28-R73 PolarHBondContact N-O 3Å; L28-R73 PolarHBondContact O-N 3.48Å; T30-R73 WeakPolarHBondContact OG1-CB 3.37Å; A36-R73 HydrophobicContact CB-CB 4.24Å; R73-D88 IonicContact CZ-OD2 3.24Å; R73-D88 VanDerWaalsContact CZ-OD2 3.24Å; R73-D88 IonicContact NH1-OD2 3.15Å; R73-D88 PolarHBondContact NH1-OD2 3.1Å; R73-D88 VanDerWaalsContact NH1-OD2 3.15Å; R73-D88 IonicContact NH2-OD1 3.56Å; R73-D88 IonicContact NH2-OD2 2.69Å; R73-D88 PolarHBondContact NH2-OD2 2.81Å; R73-T90 HydrophobicContact CB-CG2 4.46Å; R73-T90 HydrophobicContact CG-CG2 4.15Å
74F89.5Confident89.6Confident69 Ų6965.9 Ų65.930%0.30336%0.357SS..EExtended strand (participates in β ladder)trans-94.8142.1177.8-62.3-86.1000110.5K27 T90K27-F74 HydrophobicContact CB-CD1 3.78Å; K27-F74 HydrophobicContact CB-CE1 4.01Å; K27-F74 HydrophobicContact CB-CG 4.49Å; K27-F74 HydrophobicContact CD-CD1 4.46Å; K27-F74 HydrophobicContact CD-CE1 3.86Å; F74-T90 HydrophobicContact CB-CG2 4.16Å; F74-T90 HydrophobicContact CD2-CG2 3.9Å
75G87.4Confident89.4Confident1 Ų166.5 Ų66.51%0.0135%0.349CS..SBendtrans-75.7151.7173.200000111.6L16 P26 M89L16-G75 VanDerWaalsContact CG-CA 3.48Å; P26-G75 PolarHBondContact O-N 3.46Å; G75-M89 WeakPolarHBondContact O-CE 3.28Å
76G86.8Confident89.2Confident5 Ų563.3 Ų63.35%0.05234%0.342CS..  trans106.7160.2-17600000113.1E13 M89E13-G76 PolarHBondContact O-N 3.02Å; G76-M89 PolarHBondContact O-N 2.86Å
77S84.9Confident88.7Confident52 Ų5263.4 Ų63.436%0.36434%0.34SS..EExtended strand (participates in β ladder)trans-136.8155.9-168.8-47.80000111.2V86 V87S77-V86 VanDerWaalsContact CB-CG1 3.44Å; S77-V87 CarbonylContact C-O 3.5Å; S77-V87 WeakPolarHBondContact CA-O 3.43Å; S77-V87 WeakPolarHBondContact CB-O 3.39Å
78L84.3Confident88.1Confident49 Ų4965.6 Ų65.626%0.25735%0.351SS..EExtended strand (participates in β ladder)trans-130.8152.9179.3-63166000109V86 V87 M89 I101L78-V86 CarbonylContact O-C 3.39Å; L78-V86 WeakPolarHBondContact O-CA 3.18Å; L78-V87 PolarHBondContact N-O 2.85Å; L78-V87 WeakPolarHBondContact O-CG2 2.95Å; L78-V87 PolarHBondContact O-N 3.15Å; L78-M89 HydrophobicContact CD1-CG 3.89Å; L78-M89 HydrophobicContact CG-CG 3.86Å; L78-I101 HydrophobicContact CB-CG2 3.81Å; L78-I101 HydrophobicContact CD1-CD1 3.91Å; L78-I101 HydrophobicContact CD1-CG1 4.17Å; L78-I101 HydrophobicContact CD1-CG2 4.15Å
79E86.3Confident87.6Confident127 Ų12759.5 Ų59.559%0.59333%0.325SS*.EExtended strand (participates in β ladder)trans-92.3132.6176.6-70.6176.7-168.600111T81 V86E79-T81 PolarHBondContact O-N 3.22Å; E79-V86 HydrophobicContact CG-CG2 4.02Å
80C85.6Confident86.9Confident0 Ų056 Ų560%031%0.308CS..  trans-65123.1170.6179.20000110D82 C83 N84 L85 I101 C103C80-D82 VanDerWaalsContact C-N 3.26Å; C80-D82 PolarHBondContact O-N 3.01Å; C80-C83 PolarHBondContact SG-SG 2.95Å; C80-N84 WeakPolarHBondContact O-CA 2.73Å; C80-N84 PolarHBondContact O-N 2.9Å; C80-L85 HydrophobicContact CB-CB 4.22Å; C80-L85 VanDerWaalsContact CB-O 3.26Å; C80-L85 WeakPolarHBondContact CB-O 3.42Å; C80-L85 PolarHBondContact N-O 2.93Å; C80-I101 CarbonylContact C-O 3.53Å; C80-I101 WeakPolarHBondContact CA-O 3.38Å; C80-C103 HydrophobicContact CB-CB 4.1Å; C80-C103 PolarHBondContact SG-N 3.19Å; C80-C103 VanDerWaalsContact SG-N 3.37Å
81T84.3Confident86.1Confident79 Ų7957.3 Ų57.349%0.48532%0.319SS..THydrogen-bonded Turntrans-63-29.5-177.7-51.30000113.3E79 I101E79-T81 PolarHBondContact O-N 3.22Å; T81-I101 PolarHBondContact N-O 2.82Å; T81-I101 PolarHBondContact OG1-N 2.82Å; T81-I101 PolarHBondContact OG1-O 3.24Å
82D84.7Confident85.7Confident80 Ų8052.1 Ų52.143%0.42829%0.287SS..THydrogen-bonded Turntrans-89.2-28.2-173.7-71.3-5.4000113.7C80 L102 C106 Q110C80-D82 VanDerWaalsContact C-N 3.26Å; C80-D82 PolarHBondContact O-N 3.01Å; D82-L102 HydrophobicContact CB-CD2 4.38Å; D82-C106 HydrophobicContact CB-CB 4.1Å; D82-Q110 PolarHBondContact OD1-NE2 3.14Å; D82-Q110 WeakPolarHBondContact OD2-CG 3.49Å; D82-Q110 PolarHBondContact OD2-NE2 3.25Å
83C90.5Very high85.2Confident66 Ų6651.7 Ų51.745%0.44628%0.283SS..THydrogen-bonded Turntrans-134.42.3-174.5690000114.6C80 L85 C106C80-C83 PolarHBondContact SG-SG 2.95Å; C83-L85 PolarHBondContact O-N 3.08Å; C83-L85 VanDerWaalsContact O-N 3.08Å; C83-L85 VanDerWaalsContact SG-CB 3.51Å; C83-C106 VanDerWaalsContact SG-SG 3.61Å
84N89.1Confident84.3Confident115 Ų11551.9 Ų51.962%0.61528%0.284SS*.  trans57.616.8-177.1-56.8-24.3000114.7C80 V86C80-N84 WeakPolarHBondContact O-CA 2.73Å; C80-N84 PolarHBondContact O-N 2.9Å; N84-V86 PolarHBondContact O-N 2.69Å
85L89Confident83.6Confident93 Ų9349.6 Ų49.649%0.48728%0.276SS..  trans-67.7124.9172.7-178.166.4000109.9C80 C83 V87 C103C80-L85 HydrophobicContact CB-CB 4.22Å; C80-L85 VanDerWaalsContact CB-O 3.26Å; C80-L85 WeakPolarHBondContact CB-O 3.42Å; C80-L85 PolarHBondContact N-O 2.93Å; C83-L85 PolarHBondContact O-N 3.08Å; C83-L85 VanDerWaalsContact O-N 3.08Å; C83-L85 VanDerWaalsContact SG-CB 3.51Å; L85-V87 HydrophobicContact CD2-CG1 4.38Å; L85-V87 HydrophobicContact CG-CG1 4.39Å; L85-V87 PolarHBondContact O-N 2.91Å; L85-C103 HydrophobicContact CD2-CB 3.91Å
86V87.9Confident82.7Confident86 Ų8654.9 Ų54.952%0.52130%0.301SS..EExtended strand (participates in β ladder)trans-72.3125172.1-179.50000109.3S77 L78 E79 N84S77-V86 VanDerWaalsContact CB-CG1 3.44Å; L78-V86 CarbonylContact O-C 3.39Å; L78-V86 WeakPolarHBondContact O-CA 3.18Å; E79-V86 HydrophobicContact CG-CG2 4.02Å; N84-V86 PolarHBondContact O-N 2.69Å
87V82.7Confident82.1Confident15 Ų1558.4 Ų58.49%0.09132%0.321CS..EExtended strand (participates in β ladder)trans-123149176.7-66.10000110.4S77 L78 L85 I101 C103S77-V87 CarbonylContact C-O 3.5Å; S77-V87 WeakPolarHBondContact CA-O 3.43Å; S77-V87 WeakPolarHBondContact CB-O 3.39Å; L78-V87 PolarHBondContact N-O 2.85Å; L78-V87 WeakPolarHBondContact O-CG2 2.95Å; L78-V87 PolarHBondContact O-N 3.15Å; L85-V87 HydrophobicContact CD2-CG1 4.38Å; L85-V87 HydrophobicContact CG-CG1 4.39Å; L85-V87 PolarHBondContact O-N 2.91Å; V87-I101 HydrophobicContact CG2-CG2 4.39Å; V87-C103 HydrophobicContact CG1-CB 3.49Å; V87-C103 VanDerWaalsContact CG1-CB 3.49Å
88D83.5Confident81.5Confident49 Ų4958.1 Ų58.126%0.26232%0.318SS..EExtended strand (participates in β ladder)trans-61.4147.7172-59.8-43.8000110.5R73 T90 S91 G92R73-D88 IonicContact CZ-OD2 3.24Å; R73-D88 VanDerWaalsContact CZ-OD2 3.24Å; R73-D88 IonicContact NH1-OD2 3.15Å; R73-D88 PolarHBondContact NH1-OD2 3.1Å; R73-D88 VanDerWaalsContact NH1-OD2 3.15Å; R73-D88 IonicContact NH2-OD1 3.56Å; R73-D88 IonicContact NH2-OD2 2.69Å; R73-D88 PolarHBondContact NH2-OD2 2.81Å; D88-T90 PolarHBondContact O-N 3.18Å; D88-S91 PolarHBondContact N-OG 3.33Å; D88-S91 PolarHBondContact O-N 3.3Å; D88-S91 PolarHBondContact O-OG 2.94Å; D88-S91 VanDerWaalsContact O-OG 3.08Å; D88-G92 PolarHBondContact O-N 2.85Å
89M81.4Confident81.2Confident29 Ų2960.1 Ų60.114%0.14334%0.337CS..THydrogen-bonded Turntrans-53.4-31.4179.3-82.8-161-76.100113.4M14 G75 G76 L78 Y140M14-M89 HydrophobicContact CE-CE 3.41Å; M14-M89 VanDerWaalsContact CE-CE 3.41Å; M14-M89 HydrophobicContact CE-SD 4.38Å; M14-M89 HydrophobicContact SD-CE 4.12Å; G75-M89 WeakPolarHBondContact O-CE 3.28Å; G76-M89 PolarHBondContact O-N 2.86Å; L78-M89 HydrophobicContact CD1-CG 3.89Å; L78-M89 HydrophobicContact CG-CG 3.86Å; M89-Y140 WeakPolarHBondContact O-CB 3.48Å
90T79Confident80.9Confident22 Ų2254.9 Ų54.914%0.13531%0.314CS..THydrogen-bonded Turntrans-82.1-20.4179.556.70000115.1R73 F74 D88R73-T90 HydrophobicContact CB-CG2 4.46Å; R73-T90 HydrophobicContact CG-CG2 4.15Å; F74-T90 HydrophobicContact CB-CG2 4.16Å; F74-T90 HydrophobicContact CD2-CG2 3.9Å; D88-T90 PolarHBondContact O-N 3.18Å
91S78.8Confident80.7Confident51 Ų5156 Ų5636%0.35732%0.32SS..THydrogen-bonded Turntrans-98-20.8177.258.50000112.1D88D88-S91 PolarHBondContact N-OG 3.33Å; D88-S91 PolarHBondContact O-N 3.3Å; D88-S91 PolarHBondContact O-OG 2.94Å; D88-S91 VanDerWaalsContact O-OG 3.08Å
92G82.6Confident80.6Confident0 Ų052.5 Ų52.50%030%0.298CS..  trans-62.1135.5170.200000112.5D88D88-G92 PolarHBondContact O-N 2.85Å
93L80Confident80.6Confident18 Ų1848.9 Ų48.99%0.09428%0.279CS..EExtended strand (participates in β ladder)trans-104.7124.4175.6-71.3173.7000109.4I101 L102 S107 L137 R139L93-I101 WeakPolarHBondContact O-CA 3.2Å; L93-L102 PolarHBondContact N-O 3.46Å; L93-L102 PolarHBondContact O-N 3.34Å; L93-S107 VanDerWaalsContact CD1-OG 3.27Å; L93-S107 WeakPolarHBondContact CD1-OG 3.27Å; L93-L137 HydrophobicContact CB-CD2 4.09Å; L93-L137 HydrophobicContact CD1-CD1 3.84Å; L93-L137 HydrophobicContact CD1-CD2 3.95Å; L93-L137 HydrophobicContact CD1-CG 4.41Å; L93-L137 HydrophobicContact CD2-CB 3.88Å; L93-L137 HydrophobicContact CD2-CD1 4.3Å; L93-L137 HydrophobicContact CD2-CD2 4.15Å; L93-L137 HydrophobicContact CD2-CG 4.35Å; L93-L137 HydrophobicContact CG-CD2 4.28Å; L93-R139 HydrophobicContact CD2-CG 4.22Å
94W72.8Confident80.2Confident83 Ų8353.7 Ų53.731%0.31430%0.295SS..EExtended strand (participates in β ladder)trans-97.4125.9177.9-177.360.2000111Q96 I101 Y140W94-Q96 HydrophobicContact CE3-CB 4.38Å; W94-Q96 HydrophobicContact CE3-CG 3.73Å; W94-Q96 HydrophobicContact CH2-CB 3.98Å; W94-Q96 HydrophobicContact CH2-CG 4.08Å; W94-Q96 HydrophobicContact CZ3-CB 3.87Å; W94-Q96 HydrophobicContact CZ3-CG 3.44Å; W94-Q96 VanDerWaalsContact CZ3-CG 3.44Å; W94-I101 HydrophobicContact CB-CD1 3.82Å; W94-I101 HydrophobicContact CG-CD1 4.03Å; W94-Y140 HydrophobicContact CB-CD2 4.27Å
95C73.6Confident79.8Confident21 Ų2152.9 Ų52.914%0.14230%0.298CS..EExtended strand (participates in β ladder)trans-89111.1171.2-177.40000109.6T97 C98 S99 S100C95-T97 PolarHBondContact O-N 3.4Å; C95-C98 HydrophobicContact CB-CB 4.07Å; C95-C98 PolarHBondContact SG-N 3.11Å; C95-C98 VanDerWaalsContact SG-SG 3.65Å; C95-S99 VanDerWaalsContact O-CA 3.28Å; C95-S99 WeakPolarHBondContact O-CA 3.13Å; C95-S99 PolarHBondContact O-N 2.98Å; C95-S100 PolarHBondContact N-O 3.05Å
96Q69.8Low79.5Confident113 Ų11349.2 Ų49.253%0.52828%0.28SS..THydrogen-bonded Turntrans-62.7-32.1-179.6-45.3-162.2-31.600112.4W94W94-Q96 HydrophobicContact CE3-CB 4.38Å; W94-Q96 HydrophobicContact CE3-CG 3.73Å; W94-Q96 HydrophobicContact CH2-CB 3.98Å; W94-Q96 HydrophobicContact CH2-CG 4.08Å; W94-Q96 HydrophobicContact CZ3-CB 3.87Å; W94-Q96 HydrophobicContact CZ3-CG 3.44Å; W94-Q96 VanDerWaalsContact CZ3-CG 3.44Å
97T73.5Confident78.9Confident78 Ų7845.6 Ų45.648%0.47926%0.258SS..THydrogen-bonded Turntrans-78.5-46.4-178.5-53.30000112.3C95 C114 Y118C95-T97 PolarHBondContact O-N 3.4Å; T97-C114 VanDerWaalsContact CB-SG 3.54Å; T97-Y118 HydrophobicContact CG2-CD2 3.78Å; T97-Y118 HydrophobicContact CG2-CE2 3.73Å
98C72.8Confident78.3Confident46 Ų4646.4 Ų46.431%0.31127%0.27SS..THydrogen-bonded Turntrans-86.1-11.2-178-60.70000112.8C95 S100C95-C98 HydrophobicContact CB-CB 4.07Å; C95-C98 PolarHBondContact SG-N 3.11Å; C95-C98 VanDerWaalsContact SG-SG 3.65Å; C98-S100 PolarHBondContact O-N 3.46Å; C98-S100 PolarHBondContact O-OG 3.44Å; C98-S100 VanDerWaalsContact O-OG 3.14Å
99S76.9Confident77.4Confident91 Ų9153 Ų5364%0.63629%0.292SS*.THydrogen-bonded Turntrans51.636.9-170.5-62.50000112.9C95C95-S99 VanDerWaalsContact O-CA 3.28Å; C95-S99 WeakPolarHBondContact O-CA 3.13Å; C95-S99 PolarHBondContact O-N 2.98Å
100S81.2Confident76.4Confident17 Ų1752.6 Ų52.612%0.11929%0.289CS..EExtended strand (participates in β ladder)trans-115.1148-176.5-49.80000111.1C95 C98C95-S100 PolarHBondContact N-O 3.05Å; C98-S100 PolarHBondContact O-N 3.46Å; C98-S100 PolarHBondContact O-OG 3.44Å; C98-S100 VanDerWaalsContact O-OG 3.14Å
101I81Confident75.4Confident25 Ų2554 Ų5413%0.12830%0.295CS..EExtended strand (participates in β ladder)trans-99.7135.2171.8-61.2-66.5000108.6L78 C80 T81 V87 L93 W94L78-I101 HydrophobicContact CB-CG2 3.81Å; L78-I101 HydrophobicContact CD1-CD1 3.91Å; L78-I101 HydrophobicContact CD1-CG1 4.17Å; L78-I101 HydrophobicContact CD1-CG2 4.15Å; C80-I101 CarbonylContact C-O 3.53Å; C80-I101 WeakPolarHBondContact CA-O 3.38Å; T81-I101 PolarHBondContact N-O 2.82Å; T81-I101 PolarHBondContact OG1-N 2.82Å; T81-I101 PolarHBondContact OG1-O 3.24Å; V87-I101 HydrophobicContact CG2-CG2 4.39Å; L93-I101 WeakPolarHBondContact O-CA 3.2Å; W94-I101 HydrophobicContact CB-CD1 3.82Å; W94-I101 HydrophobicContact CG-CD1 4.03Å
102L81.4Confident74.3Confident5 Ų559 Ų593%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-131.3142.2-175.8-57.6170.1000111.1D82 L93 C106 Q110D82-L102 HydrophobicContact CB-CD2 4.38Å; L93-L102 PolarHBondContact N-O 3.46Å; L93-L102 PolarHBondContact O-N 3.34Å; L102-C106 HydrophobicContact CB-CB 4.43Å; L102-C106 HydrophobicContact CD2-CB 4.18Å; L102-Q110 HydrophobicContact CD1-CB 3.35Å; L102-Q110 VanDerWaalsContact CD1-CD 3.47Å; L102-Q110 HydrophobicContact CD1-CG 3.44Å; L102-Q110 VanDerWaalsContact CD1-CG 3.44Å; L102-Q110 HydrophobicContact CD2-CG 3.77Å; L102-Q110 HydrophobicContact CG-CG 4.23Å
103C84.2Confident72.9Confident3 Ų364.3 Ų64.32%0.0234%0.339CS..  trans-72.8165.8166.170.80000111C80 L85 V87 S105 C106 S107C80-C103 HydrophobicContact CB-CB 4.1Å; C80-C103 PolarHBondContact SG-N 3.19Å; C80-C103 VanDerWaalsContact SG-N 3.37Å; L85-C103 HydrophobicContact CD2-CB 3.91Å; V87-C103 HydrophobicContact CG1-CB 3.49Å; V87-C103 VanDerWaalsContact CG1-CB 3.49Å; C103-S105 PolarHBondContact O-N 3.35Å; C103-S105 VanDerWaalsContact O-N 3.17Å; C103-C106 PolarHBondContact O-N 2.86Å; C103-C106 VanDerWaalsContact O-N 3.1Å; C103-C106 PolarHBondContact SG-N 2.78Å; C103-C106 VanDerWaalsContact SG-N 3.43Å; C103-S107 WeakPolarHBondContact O-CB 3.46Å; C103-S107 PolarHBondContact O-N 3.45Å
104E82Confident71.7Confident168 Ų16864.1 Ų64.179%0.78534%0.339SS*.Hα-helixtrans-51.9-41.1178.7-172.4168-167.100112S107E104-S107 PolarHBondContact O-OG 2.8Å
105S82.2Confident70.8Confident97 Ų9761.5 Ų61.568%0.67834%0.335SS*.Hα-helixtrans-71.6-33.5-179.6-46.40000114.4C103C103-S105 PolarHBondContact O-N 3.35Å; C103-S105 VanDerWaalsContact O-N 3.17Å
106C82Confident69.7Low16 Ų1663.4 Ų63.411%0.10835%0.349CS..Hα-helixtrans-87.3-24.8179.2-66.40000112.4D82 C83 L102 C103 G108 R109 Q110D82-C106 HydrophobicContact CB-CB 4.1Å; C83-C106 VanDerWaalsContact SG-SG 3.61Å; L102-C106 HydrophobicContact CB-CB 4.43Å; L102-C106 HydrophobicContact CD2-CB 4.18Å; C103-C106 PolarHBondContact O-N 2.86Å; C103-C106 VanDerWaalsContact O-N 3.1Å; C103-C106 PolarHBondContact SG-N 2.78Å; C103-C106 VanDerWaalsContact SG-N 3.43Å; C106-G108 VanDerWaalsContact C-N 3.3Å; C106-G108 PolarHBondContact O-N 2.9Å; C106-R109 PolarHBondContact O-N 3.25Å; C106-Q110 PolarHBondContact O-N 3.5Å
107S75Confident68.8Low10 Ų1065.3 Ų65.37%0.0736%0.355CS..Hα-helixtrans-57.5-42.4179.6720000112.6L93 C103 E104 R109 Q110 I111L93-S107 VanDerWaalsContact CD1-OG 3.27Å; L93-S107 WeakPolarHBondContact CD1-OG 3.27Å; C103-S107 WeakPolarHBondContact O-CB 3.46Å; C103-S107 PolarHBondContact O-N 3.45Å; E104-S107 PolarHBondContact O-OG 2.8Å; S107-R109 VanDerWaalsContact C-N 3.31Å; S107-R109 PolarHBondContact O-N 2.78Å; S107-Q110 PolarHBondContact O-N 3.29Å; S107-I111 WeakPolarHBondContact O-CB 3.38Å; S107-I111 WeakPolarHBondContact O-CD1 3.39Å; S107-I111 WeakPolarHBondContact O-CG1 3.34Å; S107-I111 PolarHBondContact O-N 2.88Å
108G70.7Confident67.4Low33 Ų3366.9 Ų66.934%0.3435%0.353SS..Hα-helixtrans-57.5-40.7174.300000113.1C106 F112C106-G108 VanDerWaalsContact C-N 3.3Å; C106-G108 PolarHBondContact O-N 2.9Å; G108-F112 WeakPolarHBondContact O-CD2 3.15Å
109R65Low66.1Low188 Ų18870.1 Ų70.171%0.70937%0.367SS*.Hα-helixtrans-72.8-42.9-179.5-63.6-175.3-173.3-141.41.1112.3C106 S107 F112 L113C106-R109 PolarHBondContact O-N 3.25Å; S107-R109 VanDerWaalsContact C-N 3.31Å; S107-R109 PolarHBondContact O-N 2.78Å; R109-F112 PolarHBondContact O-N 3.36Å; R109-L113 PolarHBondContact O-N 2.86Å
110Q59.1Low64.4Low19 Ų1974.4 Ų74.49%0.08937%0.374CS..Hα-helixtrans-70.5-29.5176.6-78-140.52.300113.3D82 L102 C106 S107 F112 L113 C114D82-Q110 PolarHBondContact OD1-NE2 3.14Å; D82-Q110 WeakPolarHBondContact OD2-CG 3.49Å; D82-Q110 PolarHBondContact OD2-NE2 3.25Å; L102-Q110 HydrophobicContact CD1-CB 3.35Å; L102-Q110 VanDerWaalsContact CD1-CD 3.47Å; L102-Q110 HydrophobicContact CD1-CG 3.44Å; L102-Q110 VanDerWaalsContact CD1-CG 3.44Å; L102-Q110 HydrophobicContact CD2-CG 3.77Å; L102-Q110 HydrophobicContact CG-CG 4.23Å; C106-Q110 PolarHBondContact O-N 3.5Å; S107-Q110 PolarHBondContact O-N 3.29Å; Q110-F112 PolarHBondContact O-N 2.81Å; Q110-L113 PolarHBondContact O-N 3.18Å; Q110-L113 VanDerWaalsContact O-N 3.14Å; Q110-C114 WeakPolarHBondContact O-CB 3.37Å; Q110-C114 PolarHBondContact O-N 3.36Å
111I58.2Low62.6Low51 Ų5177.2 Ų77.226%0.26239%0.394SS..Hα-helixtrans-53.5-45.5173.8-78.9162.7000110.4S107 A115 F135 L137S107-I111 WeakPolarHBondContact O-CB 3.38Å; S107-I111 WeakPolarHBondContact O-CD1 3.39Å; S107-I111 WeakPolarHBondContact O-CG1 3.34Å; S107-I111 PolarHBondContact O-N 2.88Å; I111-A115 WeakPolarHBondContact O-CB 3.17Å; I111-A115 PolarHBondContact O-N 2.73Å; I111-A115 VanDerWaalsContact O-N 3.11Å; I111-F135 HydrophobicContact CB-CE1 4.38Å; I111-F135 HydrophobicContact CG1-CD1 4.4Å; I111-F135 HydrophobicContact CG2-CD1 4.01Å; I111-F135 HydrophobicContact CG2-CE1 3.64Å; I111-F135 HydrophobicContact CG2-CZ 4.38Å; I111-L137 HydrophobicContact CD1-CD1 3.94Å; I111-L137 HydrophobicContact CD1-CD2 4.14Å; I111-L137 HydrophobicContact CD1-CG 4.21Å; I111-L137 HydrophobicContact CG1-CD2 4.39Å
112F55.5Low60.6Low156 Ų15679.2 Ų79.268%0.68441%0.407SS*.Hα-helixtrans-65.6-46.5174.6-72.9-76.8000112.5G108 R109 Q110 A115 S116G108-F112 WeakPolarHBondContact O-CD2 3.15Å; R109-F112 PolarHBondContact O-N 3.36Å; Q110-F112 PolarHBondContact O-N 2.81Å; F112-A115 WeakPolarHBondContact O-CB 3.42Å; F112-A115 PolarHBondContact O-N 3.14Å; F112-S116 PolarHBondContact O-N 3.31Å; F112-S116 PolarHBondContact O-OG 3.1Å
113L54.6Low58.8Low112 Ų11283 Ų8359%0.58644%0.439SS*.Hα-helixtrans-69.3-35.9-177.1-66.5173000113.3R109 Q110 S116 K117R109-L113 PolarHBondContact O-N 2.86Å; Q110-L113 PolarHBondContact O-N 3.18Å; Q110-L113 VanDerWaalsContact O-N 3.14Å; L113-S116 PolarHBondContact O-N 2.96Å; L113-K117 PolarHBondContact O-N 3.41Å
114C54.9Low57Low15 Ų1589.9 Ų89.910%0.10148%0.475CS..Hα-helixtrans-68.5-40.8175.7-171.90000110.6T97 Q110 S116 K117 Y118T97-C114 VanDerWaalsContact CB-SG 3.54Å; Q110-C114 WeakPolarHBondContact O-CB 3.37Å; Q110-C114 PolarHBondContact O-N 3.36Å; C114-S116 VanDerWaalsContact C-N 3.31Å; C114-S116 PolarHBondContact O-N 3.17Å; C114-K117 PolarHBondContact O-N 3.37Å; C114-Y118 PolarHBondContact O-N 3.04Å
115A53.3Low55.4Low28 Ų2889 Ų8923%0.23147%0.47CS..Hα-helixtrans-58.7-43.3170.900000111.5I111 F112 Y118 L119 F135I111-A115 WeakPolarHBondContact O-CB 3.17Å; I111-A115 PolarHBondContact O-N 2.73Å; I111-A115 VanDerWaalsContact O-N 3.11Å; F112-A115 WeakPolarHBondContact O-CB 3.42Å; F112-A115 PolarHBondContact O-N 3.14Å; A115-Y118 PolarHBondContact O-N 3.33Å; A115-L119 WeakPolarHBondContact O-CG 3.35Å; A115-L119 PolarHBondContact O-N 3.41Å; A115-F135 HydrophobicContact CB-CZ 4.01Å
116S50.6Low53.2Low61 Ų6191.4 Ų91.443%0.42748%0.476SS..Hα-helixtrans-64.8-44178.7-59.80000112.9F112 L113 C114 Y118 L119 F120F112-S116 PolarHBondContact O-N 3.31Å; F112-S116 PolarHBondContact O-OG 3.1Å; L113-S116 PolarHBondContact O-N 2.96Å; C114-S116 VanDerWaalsContact C-N 3.31Å; C114-S116 PolarHBondContact O-N 3.17Å; S116-Y118 VanDerWaalsContact C-N 3.32Å; S116-Y118 PolarHBondContact O-N 2.77Å; S116-L119 PolarHBondContact O-N 3.28Å; S116-F120 WeakPolarHBondContact O-CD2 3.49Å; S116-F120 PolarHBondContact O-N 2.99Å
117K50.8Low51.1Low153 Ų15397.4 Ų97.467%0.66551%0.505SS*.Hα-helixtrans-65.6-34.4175.5-74.6-170.1176.5-172.40112.6L113 C114 F120 S121L113-K117 PolarHBondContact O-N 3.41Å; C114-K117 PolarHBondContact O-N 3.37Å; K117-F120 PolarHBondContact O-N 3.03Å; K117-S121 PolarHBondContact O-N 3.35Å; K117-S121 PolarHBondContact O-OG 3.27Å
118Y44.6Very low49.6Very low111 Ų111107.7 Ų107.744%0.43554%0.543SS..Hα-helixtrans-72.3-38.7174.9-125.7-97000111.9T97 C114 A115 S116 F120 S121 V122T97-Y118 HydrophobicContact CG2-CD2 3.78Å; T97-Y118 HydrophobicContact CG2-CE2 3.73Å; C114-Y118 PolarHBondContact O-N 3.04Å; A115-Y118 PolarHBondContact O-N 3.33Å; S116-Y118 VanDerWaalsContact C-N 3.32Å; S116-Y118 PolarHBondContact O-N 2.77Å; Y118-F120 PolarHBondContact O-N 3.33Å; Y118-S121 CarbonylContact O-C 3.53Å; Y118-S121 WeakPolarHBondContact O-CA 3.4Å; Y118-S121 WeakPolarHBondContact O-CB 3.21Å; Y118-S121 PolarHBondContact O-N 3.02Å; Y118-V122 HydrophobicContact CD1-CG1 4.36Å; Y118-V122 HydrophobicContact CD1-CG2 4.23Å; Y118-V122 HydrophobicContact CE1-CG1 4.43Å; Y118-V122 WeakPolarHBondContact O-CG2 3.49Å; Y118-V122 PolarHBondContact O-N 2.98Å
119L44.7Very low48.1Very low114 Ų114113.8 Ų113.860%0.59757%0.566SS**Hα-helixtrans-57.4-32.9171.9-78.2167.6000112.2A115 S116 A123A115-L119 WeakPolarHBondContact O-CG 3.35Å; A115-L119 PolarHBondContact O-N 3.41Å; S116-L119 PolarHBondContact O-N 3.28Å; L119-A123 WeakPolarHBondContact O-CB 3.45Å; L119-A123 PolarHBondContact O-N 3.04Å
120F41.9Very low46.6Very low180 Ų180108.8 Ų108.879%0.78956%0.556SS**Hα-helixtrans-69.4-30.4169.4-88.9-84000113.7S116 K117 Y118S116-F120 WeakPolarHBondContact O-CD2 3.49Å; S116-F120 PolarHBondContact O-N 2.99Å; K117-F120 PolarHBondContact O-N 3.03Å; Y118-F120 PolarHBondContact O-N 3.33Å
121S41.9Very low45.6Very low76 Ų76116 Ų11653%0.53158%0.584SS.*Hα-helixtrans-81.1-37.6179.1-55.40000112.9K117 Y118K117-S121 PolarHBondContact O-N 3.35Å; K117-S121 PolarHBondContact O-OG 3.27Å; Y118-S121 CarbonylContact O-C 3.53Å; Y118-S121 WeakPolarHBondContact O-CA 3.4Å; Y118-S121 WeakPolarHBondContact O-CB 3.21Å; Y118-S121 PolarHBondContact O-N 3.02Å
122V39.9Very low44.8Very low67 Ų67123.2 Ų123.241%0.40661%0.609SS.*Hα-helixtrans-96.3-2179.1-77.70000114.7Y118 L124 Q125Y118-V122 HydrophobicContact CD1-CG1 4.36Å; Y118-V122 HydrophobicContact CD1-CG2 4.23Å; Y118-V122 HydrophobicContact CE1-CG1 4.43Å; Y118-V122 WeakPolarHBondContact O-CG2 3.49Å; Y118-V122 PolarHBondContact O-N 2.98Å; V122-L124 PolarHBondContact O-N 3.43Å; V122-L124 VanDerWaalsContact O-N 3.1Å; V122-Q125 CarbonylContact O-C 3.57Å; V122-Q125 PolarHBondContact O-N 3.12Å
123A44.3Very low44.2Very low85 Ų85119.3 Ų119.370%0.70260%0.602SS**THydrogen-bonded Turntrans-61-12.6163.200000112.9L119L119-A123 WeakPolarHBondContact O-CB 3.45Å; L119-A123 PolarHBondContact O-N 3.04Å
124L46.5Very low43.6Very low148 Ų148120.2 Ų120.278%0.77560%0.603SS**THydrogen-bonded Turntrans-91.8-12.7170.4-75.8170.4000114.8V122V122-L124 PolarHBondContact O-N 3.43Å; V122-L124 VanDerWaalsContact O-N 3.1Å
125Q46.8Very low43Very low148 Ų148123.8 Ų123.869%0.69262%0.617SS**SBendtrans-144.588177.4-90.2124.126.200111.5V122V122-Q125 CarbonylContact O-C 3.57Å; V122-Q125 PolarHBondContact O-N 3.12Å
126N36.6Very low42.7Very low148 Ų148132.1 Ų132.179%0.79164%0.642SS**  trans47.596.9150.7-72.5-58.9000118.7
127I37.5Very low42.5Very low142 Ų142132.8 Ų132.873%0.72864%0.64SS**  25.4125.4122.6-61.2173.4000117.9
128R43.6Very low42.3Very low226 Ų226127 Ų12785%0.85362%0.621SS**SBendtrans66.397.5162.2-75.5171.8167.8175.6-3.9113.4
129I39.4Very low42.4Very low161 Ų161129.8 Ų129.883%0.82663%0.631SS**SBend-169-4.192.2-89.4150.7000114.2Y131I129-Y131 PolarHBondContact O-N 2.8Å
130T34.7Very low42.2Very low83 Ų83130.7 Ų130.751%0.50963%0.627SS.*  trans-10127.2-165.5480000116.5Y132 S133T130-Y132 PolarHBondContact O-N 2.9Å; T130-Y132 VanDerWaalsContact O-N 3.07Å; T130-S133 WeakPolarHBondContact CB-OG 3.17Å; T130-S133 WeakPolarHBondContact CG2-OG 3.4Å; T130-S133 PolarHBondContact O-N 3.37Å
131Y38.4Very low42Very low170 Ų170124.8 Ų124.867%0.66762%0.617SS**THydrogen-bonded Turntrans-57.8-24.9179.1-164.4-97.6000113.5I129 F135I129-Y131 PolarHBondContact O-N 2.8Å; Y131-F135 WeakPolarHBondContact O-CD2 3.15Å; Y131-F135 WeakPolarHBondContact O-CE2 3.26Å
132Y40.4Very low41.3Very low203 Ų203124.6 Ų124.680%0.79663%0.628SS**THydrogen-bonded Turntrans-112.4-11.1-175.8-78.5-80.6000115.6T130T130-Y132 PolarHBondContact O-N 2.9Å; T130-Y132 VanDerWaalsContact O-N 3.07Å
133S42.8Very low41.1Very low75 Ų75129.7 Ų129.752%0.52468%0.677SS.*THydrogen-bonded Turntrans-94.4-15.7-172.358.90000115.1T130T130-S133 WeakPolarHBondContact CB-OG 3.17Å; T130-S133 WeakPolarHBondContact CG2-OG 3.4Å; T130-S133 PolarHBondContact O-N 3.37Å
134H41.7Very low40.9Very low131 Ų131132 Ų13261%0.60668%0.676SS**SBendtrans-96.4-13.2179.2-81.4-82.7000114.8R136H134-R136 PolarHBondContact O-N 3.25Å
135F43.6Very low40.6Very low90 Ų90131.1 Ų131.140%0.39567%0.67SS.*  trans-79.650.3172.6-65.4-77.3000111.4I111 A115 Y131 L137I111-F135 HydrophobicContact CB-CE1 4.38Å; I111-F135 HydrophobicContact CG1-CD1 4.4Å; I111-F135 HydrophobicContact CG2-CD1 4.01Å; I111-F135 HydrophobicContact CG2-CE1 3.64Å; I111-F135 HydrophobicContact CG2-CZ 4.38Å; A115-F135 HydrophobicContact CB-CZ 4.01Å; Y131-F135 WeakPolarHBondContact O-CD2 3.15Å; Y131-F135 WeakPolarHBondContact O-CE2 3.26Å; F135-L137 PolarHBondContact O-N 2.82Å
136R45.7Very low40.3Very low202 Ų202130.2 Ų130.276%0.76267%0.669SS**  trans-7688.6153.1-77.7-171.4-179.2-158.91.3105.7H134 A138H134-R136 PolarHBondContact O-N 3.25Å; R136-A138 PolarHBondContact O-N 3.08Å
137L46.3Very low40.5Very low76 Ų76129.1 Ų129.140%0.39866%0.662SS.*  trans-54.784146.8-79.2-178.9000106.3L93 I111 F135 R139L93-L137 HydrophobicContact CB-CD2 4.09Å; L93-L137 HydrophobicContact CD1-CD1 3.84Å; L93-L137 HydrophobicContact CD1-CD2 3.95Å; L93-L137 HydrophobicContact CD1-CG 4.41Å; L93-L137 HydrophobicContact CD2-CB 3.88Å; L93-L137 HydrophobicContact CD2-CD1 4.3Å; L93-L137 HydrophobicContact CD2-CD2 4.15Å; L93-L137 HydrophobicContact CD2-CG 4.35Å; L93-L137 HydrophobicContact CG-CD2 4.28Å; I111-L137 HydrophobicContact CD1-CD1 3.94Å; I111-L137 HydrophobicContact CD1-CD2 4.14Å; I111-L137 HydrophobicContact CD1-CG 4.21Å; I111-L137 HydrophobicContact CG1-CD2 4.39Å; F135-L137 PolarHBondContact O-N 2.82Å; L137-R139 PolarHBondContact O-N 3.47Å; L137-R139 VanDerWaalsContact O-N 3.12Å
138A46.1Very low40.7Very low32 Ų32128.3 Ų128.326%0.26466%0.658SS.*EExtended strand (participates in β ladder)trans-70.3110.8172.300000105.1R136 Y140R136-A138 PolarHBondContact O-N 3.08Å; A138-Y140 PolarHBondContact O-N 3.43Å
139R46.7Very low40.5Very low169 Ų169121.8 Ų121.864%0.63865%0.645SS**EExtended strand (participates in β ladder)trans-56.3134156.7-68-172.3-177.7-159.60.4106.2L93 L137 G141 G142L93-R139 HydrophobicContact CD2-CG 4.22Å; L137-R139 PolarHBondContact O-N 3.47Å; L137-R139 VanDerWaalsContact O-N 3.12Å; R139-G141 PolarHBondContact O-N 3Å; R139-G142 PolarHBondContact O-N 3.19Å
140Y40.9Very low40.5Very low132 Ų132119 Ų11952%0.51863%0.632SS.*THydrogen-bonded Turntrans-63.6100.2175.8-146.4-92.4000107.2M89 W94 A138M89-Y140 WeakPolarHBondContact O-CB 3.48Å; W94-Y140 HydrophobicContact CB-CD2 4.27Å; A138-Y140 PolarHBondContact O-N 3.43Å
141G38.1Very low41Very low56 Ų56121.8 Ų121.858%0.57764%0.641SS**THydrogen-bonded Turntrans132.210.7-174.300000117.1R139R139-G141 PolarHBondContact O-N 3Å
142G28.3Very low41.2Very low73 Ų73117.8 Ų117.875%0.75364%0.639SS**  trans-10074.8174.700000114.5R139R139-G142 PolarHBondContact O-N 3.19Å
143A34.1Very low41.3Very low174 Ų174110 Ų110100%1.43863%0.625SS**  trans-176.10146.700000108.4

Retrieved 143 of 143 residues in 86.5 ms (Link to these results)