A0A087XQ62_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087XQ62, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 473 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
1M32.7Very low33.2Very low224 Ų224138.8 Ų138.8100%1.10382%0.815SS**  0143.30-70.1171.5173.700107.9Y3M1-Y3 PolarHBondContact O-N 2.7Å
2S27.1Very low34Very low114 Ų114137.6 Ų137.680%0.79781%0.81SS**  trans-82109.6-178.3-176.60000110.7R4S2-R4 PolarHBondContact O-N 2.64Å
3Y31.8Very low34.8Very low222 Ų222133.7 Ų133.787%0.87180%0.795SS**  trans-77.874.2173.3-79.4-82.8000110.6M1 S5M1-Y3 PolarHBondContact O-N 2.7Å; Y3-S5 PolarHBondContact O-N 3.24Å
4R29.8Very low36Very low225 Ų225135.6 Ų135.685%0.84980%0.799SS**  trans-78.587.5175.6-155.4177.7-158.7-1736.4109.8S2 T6S2-R4 PolarHBondContact O-N 2.64Å; R4-T6 PolarHBondContact O-N 2.7Å
5S34Very low38Very low98 Ų98133.3 Ų133.369%0.68577%0.771SS**  trans-54.8119176-177.40000110.8Y3 A7Y3-S5 PolarHBondContact O-N 3.24Å; S5-A7 PolarHBondContact O-N 3.22Å; S5-A7 VanDerWaalsContact O-N 3.09Å
6T31.7Very low40.9Very low140 Ų140136.4 Ų136.486%0.85978%0.777SS**  trans-85.445.8176.456.80000111.4R4R4-T6 PolarHBondContact O-N 2.7Å
7A35.6Very low43.8Very low74 Ų74129.2 Ų129.261%0.61274%0.736SS**  trans-85.5111171.100000109.1S5 P9S5-A7 PolarHBondContact O-N 3.22Å; S5-A7 VanDerWaalsContact O-N 3.09Å; A7-P9 VanDerWaalsContact O-CD 3.3Å; A7-P9 WeakPolarHBondContact O-CD 3.48Å
8T31.2Very low46.6Very low131 Ų131125.4 Ų125.480%0.80472%0.717SS**  trans-70.2116.4177.226.90000111G10T8-G10 PolarHBondContact O-N 2.99Å
9P40.7Very low49.1Very low137 Ų137122.9 Ų122.989%0.8970%0.704SS**SBendtrans-81.382.7-179.733.3-33.5000110.1A7A7-P9 VanDerWaalsContact O-CD 3.3Å; A7-P9 WeakPolarHBondContact O-CD 3.48Å
10G38.9Very low51.5Low75 Ų75120.2 Ų120.277%0.77369%0.687SS**  trans177.223.6-176.200000119.4T8T8-G10 PolarHBondContact O-N 2.99Å
11A31.9Very low53.6Low87 Ų87124 Ų12472%0.71969%0.69SS**  trans-153.292.7171.600000112.6S13A11-S13 PolarHBondContact O-N 3.07Å
12T42.3Very low56.6Low124 Ų124114.1 Ų114.176%0.76164%0.641SS**  trans-76.881.2159.349.60000108.6N14T12-N14 PolarHBondContact O-N 3.12Å
13S44.1Very low59.9Low87 Ų87115.5 Ų115.561%0.60864%0.635SS**  trans-59.7110.1164.348.30000107.9A11 R15A11-S13 PolarHBondContact O-N 3.07Å; S13-R15 PolarHBondContact O-N 3.41Å
14N52.3Low62.8Low161 Ų161106.6 Ų106.686%0.86161%0.607SS**  trans-73.780.3-177.1-162.923.5000109.1T12 E16T12-N14 PolarHBondContact O-N 3.12Å; N14-E16 PolarHBondContact O-N 2.66Å
15R65.8Low65.7Low100 Ų10097.8 Ų97.838%0.37758%0.577SS.*  trans-70.5100.1-168.1-175177.1180179.3-2.6110.4S13 V17 H93 E95S13-R15 PolarHBondContact O-N 3.41Å; R15-V17 PolarHBondContact O-N 3.02Å; R15-H93 PolarHBondContact NH1-CE1 3.31Å; R15-H93 PolarHBondContact NH1-NE2 2.91Å; R15-H93 PolarHBondContact NH2-NE2 3.37Å; R15-E95 IonicContact CZ-OE2 2.63Å; R15-E95 IonicContact NH2-OE1 2.74Å; R15-E95 PolarHBondContact NH2-OE1 3.11Å; R15-E95 IonicContact NH2-OE2 2.69Å; R15-E95 PolarHBondContact NH2-OE2 3.16Å
16E83.8Confident68.5Low184 Ų18496.7 Ų96.786%0.8657%0.569SS**  trans-69.193.2177.2-170.6173.5-16400111N14 P18N14-E16 PolarHBondContact O-N 2.66Å; E16-P18 VanDerWaalsContact O-CD 3.27Å; E16-P18 WeakPolarHBondContact O-CD 3.34Å
17V91.1Very high71.5Confident13 Ų1392.3 Ų92.38%0.07954%0.539CS..  trans-62.5116.3174.1174.90000109.7R15 K84 L94R15-V17 PolarHBondContact O-N 3.02Å; V17-K84 HydrophobicContact CB-CG 4.03Å; V17-K84 HydrophobicContact CG1-CG 4.39Å; V17-K84 HydrophobicContact CG2-CG 4.4Å; V17-L94 HydrophobicContact CG1-CD2 3.94Å; V17-L94 HydrophobicContact CG1-CG 3.89Å; V17-L94 WeakPolarHBondContact CG2-O 3.41Å
18P94.1Very high74.3Confident61 Ų6188.8 Ų88.840%0.39651%0.51SS..  trans-66.3150.3-170.9-23.234.7000114.2E16 I20 E95 V96 T97E16-P18 VanDerWaalsContact O-CD 3.27Å; E16-P18 WeakPolarHBondContact O-CD 3.34Å; P18-I20 HydrophobicContact CB-CG1 4.33Å; P18-E95 WeakPolarHBondContact CD-O 3.16Å; P18-V96 HydrophobicContact CB-CG2 4.12Å; P18-T97 PolarHBondContact O-N 3.35Å; P18-T97 PolarHBondContact O-OG1 2.86Å
19V94.8Very high77.3Confident79 Ų7989.5 Ų89.548%0.47950%0.498SS..EExtended strand (participates in β ladder)trans-119.390.3175.5-170.70000109.3K84 T97 N99V19-K84 VanDerWaalsContact CG2-NZ 3.25Å; V19-T97 WeakPolarHBondContact CA-O 3.27Å; V19-N99 WeakPolarHBondContact CG1-ND2 3.24Å
20I96.6Very high79.9Confident68 Ų6889.5 Ų89.535%0.34948%0.484SS..EExtended strand (participates in β ladder)trans-92.3123.7-173.7-59.2177.5000109.9P18 L22 V96 T97 Y98 N99P18-I20 HydrophobicContact CB-CG1 4.33Å; I20-L22 HydrophobicContact CG2-CD2 4.14Å; I20-V96 HydrophobicContact CD1-CG2 3.9Å; I20-V96 HydrophobicContact CG1-CG2 4.18Å; I20-T97 PolarHBondContact N-O 3.32Å; I20-Y98 HydrophobicContact CB-CD1 3.69Å; I20-Y98 HydrophobicContact CB-CE1 3.73Å; I20-Y98 HydrophobicContact CD1-CE1 3.73Å; I20-Y98 HydrophobicContact CG1-CE1 4.28Å; I20-Y98 HydrophobicContact CG2-CD1 3.83Å; I20-Y98 HydrophobicContact CG2-CE1 3.75Å; I20-Y98 CarbonylContact O-C 3.59Å; I20-Y98 WeakPolarHBondContact O-CA 3.46Å; I20-N99 PolarHBondContact O-N 3.33Å
21R96.3Very high82.7Confident201 Ų20188 Ų8876%0.75846%0.458SS*.EExtended strand (participates in β ladder)trans-92.2121.2175.9-174.3173.5177166-2.1110.8N99R21-N99 CarbonylContact C-O 3.44Å; R21-N99 WeakPolarHBondContact CA-O 3.29Å
22L95.6Very high85.8Confident15 Ų1584.1 Ų84.18%0.07943%0.425CS..PPolyproline II helixtrans-99.8148.3175.1-58.3-179.8000110.2I20 E27 L28 I31 Y98 N99 T100I20-L22 HydrophobicContact CG2-CD2 4.14Å; L22-E27 HydrophobicContact CB-CB 4.33Å; L22-E27 HydrophobicContact CD1-CB 4.23Å; L22-E27 HydrophobicContact CD2-CB 4.27Å; L22-L28 HydrophobicContact CD1-CB 4Å; L22-L28 HydrophobicContact CD1-CD1 4.27Å; L22-I31 HydrophobicContact CD2-CD1 4.14Å; L22-Y98 HydrophobicContact CD1-CD1 3.76Å; L22-Y98 HydrophobicContact CD1-CG 4.28Å; L22-Y98 HydrophobicContact CD2-CD1 4.13Å; L22-Y98 HydrophobicContact CD2-CE1 4.49Å; L22-Y98 HydrophobicContact CG-CD1 3.93Å; L22-N99 PolarHBondContact N-O 3.36Å; L22-T100 HydrophobicContact CB-CG2 4.4Å; L22-T100 HydrophobicContact CD1-CG2 4.33Å
23Q94.7Very high88.5Confident143 Ų14384 Ų8467%0.66842%0.416SS*.SBendtrans-86.1-22.5-179.2-55.3-59.5-18.700112.3E27 P101Q23-E27 PolarHBondContact N-OE2 2.96Å; Q23-P101 WeakPolarHBondContact O-CG 3.33Å
24A93.9Very high91Very high35 Ų3581.2 Ų81.229%0.28939%0.393SS..SBendtrans-144.1152.5173.200000112.5S26 E27A24-S26 PolarHBondContact O-N 2.83Å; A24-E27 HydrophobicContact CB-CG 4.14Å; A24-E27 PolarHBondContact N-OE2 3.44Å; A24-E27 WeakPolarHBondContact O-CB 3.48Å; A24-E27 WeakPolarHBondContact O-CG 3.37Å; A24-E27 PolarHBondContact O-N 2.76Å; A24-E27 VanDerWaalsContact O-N 3.07Å
25D90.4Very high93Very high40 Ų4075.8 Ų75.821%0.21437%0.374CS..G310 helixtrans-59.1-29177.9-66.113.3000112.7E27 T100 T102 K103D25-E27 VanDerWaalsContact C-N 3.26Å; D25-E27 PolarHBondContact O-N 2.98Å; D25-T100 WeakPolarHBondContact OD1-CB 3.35Å; D25-T100 PolarHBondContact OD1-OG1 2.94Å; D25-T102 PolarHBondContact OD2-OG1 3.1Å; D25-K103 VanDerWaalsContact OD2-CE 3.27Å; D25-K103 WeakPolarHBondContact OD2-CE 3.25Å
26S92.3Very high94.4Very high75 Ų7577.3 Ų77.352%0.52438%0.384SS..G310 helixtrans-75.5-6.8178.255.10000114.4A24A24-S26 PolarHBondContact O-N 2.83Å
27E94.8Very high95Very high48 Ų4872.3 Ų72.322%0.22437%0.366CS..G310 helixtrans-76.6-27.4177.5-55.3-159111.200112.5L22 Q23 A24 D25 W29 K30L22-E27 HydrophobicContact CB-CB 4.33Å; L22-E27 HydrophobicContact CD1-CB 4.23Å; L22-E27 HydrophobicContact CD2-CB 4.27Å; Q23-E27 PolarHBondContact N-OE2 2.96Å; A24-E27 HydrophobicContact CB-CG 4.14Å; A24-E27 PolarHBondContact N-OE2 3.44Å; A24-E27 WeakPolarHBondContact O-CB 3.48Å; A24-E27 WeakPolarHBondContact O-CG 3.37Å; A24-E27 PolarHBondContact O-N 2.76Å; A24-E27 VanDerWaalsContact O-N 3.07Å; D25-E27 VanDerWaalsContact C-N 3.26Å; D25-E27 PolarHBondContact O-N 2.98Å; E27-W29 PolarHBondContact O-N 3.03Å; E27-K30 HydrophobicContact CB-CD 4.48Å; E27-K30 WeakPolarHBondContact O-CB 3.15Å; E27-K30 PolarHBondContact O-N 2.86Å; E27-K30 IonicContact OE1-NZ 2.7Å; E27-K30 PolarHBondContact OE1-NZ 2.81Å
28L94.5Very high95Very high0 Ų075 Ų750%038%0.38CS..G310 helixtrans-62.4-31.6175.2-167.860.8000111.6L22 K30 I31 Y32 F34 I60 Y98 C105L22-L28 HydrophobicContact CD1-CB 4Å; L22-L28 HydrophobicContact CD1-CD1 4.27Å; L28-K30 PolarHBondContact O-N 2.82Å; L28-I31 PolarHBondContact O-N 3.36Å; L28-I31 VanDerWaalsContact O-N 3.1Å; L28-Y32 HydrophobicContact CD1-CD2 3.7Å; L28-Y32 HydrophobicContact CD1-CE2 3.86Å; L28-Y32 HydrophobicContact CG-CD2 4.32Å; L28-Y32 PolarHBondContact O-N 3.45Å; L28-F34 HydrophobicContact CD2-CZ 3.86Å; L28-F34 HydrophobicContact CG-CE2 4.2Å; L28-F34 HydrophobicContact CG-CZ 4Å; L28-I60 HydrophobicContact CD2-CG2 4.39Å; L28-Y98 HydrophobicContact CD1-CD1 4.22Å; L28-Y98 HydrophobicContact CD1-CD2 3.68Å; L28-Y98 HydrophobicContact CD1-CE2 4.05Å; L28-Y98 HydrophobicContact CD1-CG 3.78Å; L28-C105 HydrophobicContact CD2-CB 3.86Å
29W93.7Very high94.7Very high147 Ų14773.5 Ų73.556%0.55738%0.375SS*.G310 helixtrans-73.5-8174.8-65.871.8000114E27 F34E27-W29 PolarHBondContact O-N 3.03Å; W29-F34 AromaticContact CD2-CD2 3.69Å; W29-F34 HydrophobicContact CD2-CD2 3.69Å; W29-F34 HydrophobicContact CD2-CE2 4.05Å; W29-F34 HydrophobicContact CD2-CG 4.4Å; W29-F34 AromaticContact CE2-CD2 3.78Å; W29-F34 AromaticContact CE2-CE2 3.98Å; W29-F34 HydrophobicContact CE3-CB 4.34Å; W29-F34 AromaticContact CE3-CD2 3.87Å; W29-F34 HydrophobicContact CE3-CD2 3.87Å; W29-F34 HydrophobicContact CE3-CG 4.38Å; W29-F34 HydrophobicContact CG-CD2 4.16Å; W29-F34 HydrophobicContact CG-CE2 4.1Å; W29-F34 HydrophobicContact CH2-CB 3.77Å; W29-F34 HydrophobicContact CH2-CD2 4.24Å; W29-F34 AromaticContact CH2-CG 3.99Å; W29-F34 HydrophobicContact CH2-CG 3.99Å; W29-F34 HydrophobicContact CZ2-CB 4.29Å; W29-F34 HydrophobicContact CZ2-CD1 4.4Å; W29-F34 HydrophobicContact CZ2-CD2 4.07Å; W29-F34 AromaticContact CZ2-CG 4Å; W29-F34 HydrophobicContact CZ2-CG 4Å; W29-F34 HydrophobicContact CZ3-CB 3.8Å; W29-F34 HydrophobicContact CZ3-CD2 4.15Å; W29-F34 HydrophobicContact CZ3-CG 4.19Å; W29-F34 AromaticContact NE1-CE2 3.95Å
30K96Very high94.3Very high137 Ų13777.4 Ų77.460%0.59639%0.388SS*.G310 helixtrans-90.8-12.4169.4-50.7171.9-170.1167.10112.2E27 L28E27-K30 HydrophobicContact CB-CD 4.48Å; E27-K30 WeakPolarHBondContact O-CB 3.15Å; E27-K30 PolarHBondContact O-N 2.86Å; E27-K30 IonicContact OE1-NZ 2.7Å; E27-K30 PolarHBondContact OE1-NZ 2.81Å; L28-K30 PolarHBondContact O-N 2.82Å
31I97.4Very high93.1Very high42 Ų4276.7 Ų76.722%0.21540%0.397CS..THydrogen-bonded Turntrans-107.3-37.9-175.7-55.7170.2000109.7L22 L28 H51 I52 Y98L22-I31 HydrophobicContact CD2-CD1 4.14Å; L28-I31 PolarHBondContact O-N 3.36Å; L28-I31 VanDerWaalsContact O-N 3.1Å; I31-H51 PolarHBondContact O-CD2 3.49Å; I31-H51 VanDerWaalsContact O-CD2 3.28Å; I31-I52 PolarHBondContact O-N 3.48Å; I31-Y98 HydrophobicContact CD1-CE1 3.79Å
32Y98Very high91.8Very high6 Ų671.1 Ų71.12%0.02439%0.39CS..EExtended strand (participates in β ladder)trans-126.7138.4178.7-58.9-93.9000112.3L28 A49 T50 H51 W58 I60 Y98 V107L28-Y32 HydrophobicContact CD1-CD2 3.7Å; L28-Y32 HydrophobicContact CD1-CE2 3.86Å; L28-Y32 HydrophobicContact CG-CD2 4.32Å; L28-Y32 PolarHBondContact O-N 3.45Å; Y32-A49 HydrophobicContact CD1-CB 4.28Å; Y32-A49 HydrophobicContact CG-CB 4.5Å; Y32-T50 CarbonylContact C-O 3.52Å; Y32-T50 VanDerWaalsContact CA-O 3.28Å; Y32-T50 WeakPolarHBondContact CA-O 3.4Å; Y32-H51 HydrophobicContact CD1-CB 3.86Å; Y32-H51 HydrophobicContact CE1-CB 3.69Å; Y32-H51 AromaticContact CE1-CD2 3.81Å; Y32-H51 AromaticContact CZ-CD2 3.92Å; Y32-W58 AromaticContact CE1-CD1 3.78Å; Y32-W58 HydrophobicContact CE1-CG 4.4Å; Y32-I60 HydrophobicContact CD1-CD1 3.78Å; Y32-I60 HydrophobicContact CD2-CD1 3.81Å; Y32-I60 HydrophobicContact CE1-CD1 4.15Å; Y32-I60 HydrophobicContact CE2-CD1 4.2Å; Y32-I60 HydrophobicContact CG-CD1 3.6Å; Y32-Y98 HydrophobicContact CE2-CD2 4.46Å; Y32-Y98 AromaticContact CE2-CE2 3.62Å; Y32-Y98 HydrophobicContact CE2-CE2 3.62Å; Y32-Y98 AromaticContact CE2-CZ 3.97Å; Y32-V107 HydrophobicContact CE1-CG1 4.2Å; Y32-V107 HydrophobicContact CE2-CG2 4.43Å
33E97.8Very high90.7Very high123 Ų12372.3 Ų72.358%0.57539%0.394SS*.EExtended strand (participates in β ladder)trans-82.9121.2162.4-179.5177.6-141.900108.6A49 T50 I52E33-A49 CarbonylContact O-C 3.52Å; E33-A49 VanDerWaalsContact O-CA 3.26Å; E33-A49 WeakPolarHBondContact O-CA 3.16Å; E33-T50 PolarHBondContact N-O 3.39Å; E33-T50 PolarHBondContact O-N 3.22Å; E33-I52 HydrophobicContact CB-CG1 4.32Å
34F96.7Very high90.2Very high28 Ų2866.4 Ų66.412%0.12337%0.372CS..EExtended strand (participates in β ladder)trans-86125.5-178.4-79.1-104000111.2L28 W29 Y47 I60L28-F34 HydrophobicContact CD2-CZ 3.86Å; L28-F34 HydrophobicContact CG-CE2 4.2Å; L28-F34 HydrophobicContact CG-CZ 4Å; W29-F34 AromaticContact CD2-CD2 3.69Å; W29-F34 HydrophobicContact CD2-CD2 3.69Å; W29-F34 HydrophobicContact CD2-CE2 4.05Å; W29-F34 HydrophobicContact CD2-CG 4.4Å; W29-F34 AromaticContact CE2-CD2 3.78Å; W29-F34 AromaticContact CE2-CE2 3.98Å; W29-F34 HydrophobicContact CE3-CB 4.34Å; W29-F34 AromaticContact CE3-CD2 3.87Å; W29-F34 HydrophobicContact CE3-CD2 3.87Å; W29-F34 HydrophobicContact CE3-CG 4.38Å; W29-F34 HydrophobicContact CG-CD2 4.16Å; W29-F34 HydrophobicContact CG-CE2 4.1Å; W29-F34 HydrophobicContact CH2-CB 3.77Å; W29-F34 HydrophobicContact CH2-CD2 4.24Å; W29-F34 AromaticContact CH2-CG 3.99Å; W29-F34 HydrophobicContact CH2-CG 3.99Å; W29-F34 HydrophobicContact CZ2-CB 4.29Å; W29-F34 HydrophobicContact CZ2-CD1 4.4Å; W29-F34 HydrophobicContact CZ2-CD2 4.07Å; W29-F34 AromaticContact CZ2-CG 4Å; W29-F34 HydrophobicContact CZ2-CG 4Å; W29-F34 HydrophobicContact CZ3-CB 3.8Å; W29-F34 HydrophobicContact CZ3-CD2 4.15Å; W29-F34 HydrophobicContact CZ3-CG 4.19Å; W29-F34 AromaticContact NE1-CE2 3.95Å; F34-Y47 HydrophobicContact CD1-CD1 4.35Å; F34-Y47 HydrophobicContact CD1-CD2 4.05Å; F34-Y47 AromaticContact CD1-CG 3.82Å; F34-Y47 HydrophobicContact CD1-CG 3.82Å; F34-Y47 HydrophobicContact CE1-CD2 4Å; F34-Y47 HydrophobicContact CE1-CG 4.21Å; F34-I60 HydrophobicContact CE1-CB 4.49Å; F34-I60 HydrophobicContact CE1-CD1 4.45Å; F34-I60 HydrophobicContact CE1-CG2 4.43Å; F34-I60 HydrophobicContact CZ-CD1 4.17Å
35G95.8Very high90.1Very high46 Ų4667.1 Ų67.147%0.47437%0.37SS..EExtended strand (participates in β ladder)trans-98.1-141.9174.800000112.9E48G35-E48 WeakPolarHBondContact CA-O 3.36Å; G35-E48 PolarHBondContact N-O 2.9Å
36K95.1Very high90.3Very high132 Ų13267.1 Ų67.157%0.57437%0.371SS*.EExtended strand (participates in β ladder)trans-69.8148.9-17674.8-167.4-171.2-1240112.6L38 E48K36-L38 HydrophobicContact CG-CD2 4.2Å; K36-L38 PolarHBondContact O-N 2.99Å; K36-E48 WeakPolarHBondContact CE-OE2 3.11Å; K36-E48 HydrophobicContact CG-CB 4.12Å; K36-E48 IonicContact NZ-OE2 2.7Å; K36-E48 PolarHBondContact NZ-OE2 2.56Å; K36-E48 PolarHBondContact O-N 3.01Å
37T95.7Very high90.5Very high80 Ų8065.8 Ų65.849%0.49136%0.355SS..EExtended strand (participates in β ladder)trans-64.9125164.1-54.10000109.6I45T37-I45 HydrophobicContact CG2-CG2 3.65Å
38L91.7Very high90.6Very high70 Ų7064.5 Ų64.537%0.36635%0.349SS..EExtended strand (participates in β ladder)trans-89.3-31.8175-64.1172.6000111.9K36 V46 E48 A59 L110K36-L38 HydrophobicContact CG-CD2 4.2Å; K36-L38 PolarHBondContact O-N 2.99Å; L38-V46 HydrophobicContact CB-CB 4.44Å; L38-V46 HydrophobicContact CB-CG1 4.15Å; L38-V46 HydrophobicContact CD1-CG1 4.24Å; L38-V46 PolarHBondContact N-O 3.27Å; L38-E48 HydrophobicContact CD1-CB 4.11Å; L38-E48 HydrophobicContact CD2-CB 4.2Å; L38-E48 HydrophobicContact CG-CB 4.12Å; L38-A59 HydrophobicContact CD1-CB 4.03Å; L38-L110 HydrophobicContact CD1-CD1 3.53Å
39G87.6Confident90.8Very high29 Ų2964.5 Ų64.530%0.29935%0.349SS..EExtended strand (participates in β ladder)trans-171.2164.9177.600000113.5V46G39-V46 PolarHBondContact N-O 3.48Å; G39-V46 PolarHBondContact O-N 2.92Å
40Q85.9Confident91Very high160 Ų16058.5 Ų58.575%0.74833%0.329SS*.EExtended strand (participates in β ladder)trans-138.4127.2174.5178.7171.812.200108.9I45Q40-I45 HydrophobicContact CG-CG1 4.11Å
41G72.2Confident91.1Very high53 Ų5353.9 Ų53.955%0.54631%0.309SS..  trans-135.3-176.2-174.500000113.5F43 G44G41-F43 PolarHBondContact O-N 3.41Å; G41-F43 VanDerWaalsContact O-N 3.16Å; G41-G44 PolarHBondContact N-O 3.08Å; G41-G44 PolarHBondContact O-N 3.31Å
42S68Low91.1Very high85 Ų8555.7 Ų55.759%0.59432%0.318SS*.SBendtrans-64.3-16.6-17954.60000114.7K72S42-K72 PolarHBondContact O-NZ 3.11Å
43F71.7Confident91.1Very high40 Ų4059.7 Ų59.718%0.17535%0.353CS..SBendtrans-102-28.5178.7-65.2-75.9000114G41 V63 K72 M75G41-F43 PolarHBondContact O-N 3.41Å; G41-F43 VanDerWaalsContact O-N 3.16Å; F43-V63 HydrophobicContact CB-CG2 4.42Å; F43-V63 WeakPolarHBondContact O-CG1 3.4Å; F43-K72 HydrophobicContact CE1-CB 4.47Å; F43-K72 HydrophobicContact CE1-CG 4.35Å; F43-M75 HydrophobicContact CE1-CB 4.12Å; F43-M75 HydrophobicContact CE1-CE 4.45Å; F43-M75 HydrophobicContact CE1-SD 4.3Å; F43-M75 HydrophobicContact CE2-CE 4.33Å; F43-M75 HydrophobicContact CZ-CB 4.3Å; F43-M75 HydrophobicContact CZ-CE 3.57Å; F43-M75 HydrophobicContact CZ-SD 3.88Å
44G85.6Confident91.1Very high19 Ų1957.6 Ų57.620%0.19635%0.349CS..  trans173.7-168.2-169.400000115.2G41 E62G41-G44 PolarHBondContact N-O 3.08Å; G41-G44 PolarHBondContact O-N 3.31Å; G44-E62 WeakPolarHBondContact CA-O 3.29Å
45I92.2Very high91.1Very high49 Ų4962.5 Ų62.525%0.25137%0.372SS..EExtended strand (participates in β ladder)trans-116136.8174.1-53.5173.5000107.7T37 Q40 Y47 E62T37-I45 HydrophobicContact CG2-CG2 3.65Å; Q40-I45 HydrophobicContact CG-CG1 4.11Å; I45-Y47 HydrophobicContact CB-CE2 3.8Å; I45-Y47 HydrophobicContact CG2-CD2 4.18Å; I45-Y47 HydrophobicContact CG2-CE1 3.96Å; I45-Y47 HydrophobicContact CG2-CE2 3.58Å; I45-Y47 VanDerWaalsContact CG2-CZ 3.46Å; I45-E62 PolarHBondContact N-O 3.43Å; I45-E62 VanDerWaalsContact N-O 3.12Å; I45-E62 PolarHBondContact O-N 2.89Å
46V94.7Very high91.2Very high40 Ų4063.1 Ų63.124%0.24237%0.367CS..EExtended strand (participates in β ladder)trans-107.4127.3177-175.40000108.3L38 G39 A59 I60 K61L38-V46 HydrophobicContact CB-CB 4.44Å; L38-V46 HydrophobicContact CB-CG1 4.15Å; L38-V46 HydrophobicContact CD1-CG1 4.24Å; L38-V46 PolarHBondContact N-O 3.27Å; G39-V46 PolarHBondContact N-O 3.48Å; G39-V46 PolarHBondContact O-N 2.92Å; V46-A59 HydrophobicContact CG1-CB 4.18Å; V46-I60 CarbonylContact C-O 3.58Å; V46-I60 WeakPolarHBondContact CA-O 3.34Å; V46-K61 HydrophobicContact CG2-CB 4.13Å; V46-K61 HydrophobicContact CG2-CG 4Å
47Y96.3Very high91.3Very high47 Ų4761.3 Ų61.318%0.18436%0.358CS..EExtended strand (participates in β ladder)trans-115145.8179-61.9-85.3000111.2F34 I45 A59 I60 E62F34-Y47 HydrophobicContact CD1-CD1 4.35Å; F34-Y47 HydrophobicContact CD1-CD2 4.05Å; F34-Y47 AromaticContact CD1-CG 3.82Å; F34-Y47 HydrophobicContact CD1-CG 3.82Å; F34-Y47 HydrophobicContact CE1-CD2 4Å; F34-Y47 HydrophobicContact CE1-CG 4.21Å; I45-Y47 HydrophobicContact CB-CE2 3.8Å; I45-Y47 HydrophobicContact CG2-CD2 4.18Å; I45-Y47 HydrophobicContact CG2-CE1 3.96Å; I45-Y47 HydrophobicContact CG2-CE2 3.58Å; I45-Y47 VanDerWaalsContact CG2-CZ 3.46Å; Y47-A59 CarbonylContact O-C 3.56Å; Y47-A59 WeakPolarHBondContact O-CA 3.4Å; Y47-I60 PolarHBondContact N-O 3.12Å; Y47-I60 PolarHBondContact O-N 2.89Å; Y47-E62 HydrophobicContact CD2-CG 4.22Å; Y47-E62 HydrophobicContact CE2-CB 4.46Å; Y47-E62 HydrophobicContact CE2-CG 4.12Å
48E97.2Very high91.4Very high22 Ų2259.1 Ų59.110%0.10334%0.341CS..EExtended strand (participates in β ladder)trans-69.5136.1156.6-174179.4154.800107.7G35 K36 L38 K57 L110G35-E48 WeakPolarHBondContact CA-O 3.36Å; G35-E48 PolarHBondContact N-O 2.9Å; K36-E48 WeakPolarHBondContact CE-OE2 3.11Å; K36-E48 HydrophobicContact CG-CB 4.12Å; K36-E48 IonicContact NZ-OE2 2.7Å; K36-E48 PolarHBondContact NZ-OE2 2.56Å; K36-E48 PolarHBondContact O-N 3.01Å; L38-E48 HydrophobicContact CD1-CB 4.11Å; L38-E48 HydrophobicContact CD2-CB 4.2Å; L38-E48 HydrophobicContact CG-CB 4.12Å; E48-K57 WeakPolarHBondContact OE1-CE 3.27Å; E48-K57 IonicContact OE1-NZ 2.67Å; E48-K57 PolarHBondContact OE1-NZ 2.73Å; E48-L110 HydrophobicContact CG-CD1 4.38Å; E48-L110 HydrophobicContact CG-CD2 3.88Å
49A97.8Very high91.7Very high0 Ų056.2 Ų56.20%033%0.327CS..EExtended strand (participates in β ladder)trans-145.8142.117800000112.2Y32 E33 K57 W58 I60Y32-A49 HydrophobicContact CD1-CB 4.28Å; Y32-A49 HydrophobicContact CG-CB 4.5Å; E33-A49 CarbonylContact O-C 3.52Å; E33-A49 VanDerWaalsContact O-CA 3.26Å; E33-A49 WeakPolarHBondContact O-CA 3.16Å; A49-K57 WeakPolarHBondContact O-CA 3.27Å; A49-W58 PolarHBondContact N-O 2.9Å; A49-W58 PolarHBondContact O-N 2.87Å; A49-I60 HydrophobicContact CB-CD1 3.49Å; A49-I60 VanDerWaalsContact CB-CD1 3.49Å; A49-I60 HydrophobicContact CB-CG1 3.79Å
50T98.3Very high92.1Very high20 Ų2054.8 Ų54.812%0.12331%0.313CS..EExtended strand (participates in β ladder)trans-101.1122.3175.7-51.60000109.1Y32 E33 I52Y32-T50 CarbonylContact C-O 3.52Å; Y32-T50 VanDerWaalsContact CA-O 3.28Å; Y32-T50 WeakPolarHBondContact CA-O 3.4Å; E33-T50 PolarHBondContact N-O 3.39Å; E33-T50 PolarHBondContact O-N 3.22Å; T50-I52 PolarHBondContact O-N 3.33Å
51H98.1Very high92.5Very high40 Ų4048.6 Ų48.619%0.18528%0.283CS..EExtended strand (participates in β ladder)trans-69.7116.7173.6-178-123.7000109.8I31 Y32 A53 T54 Q55 T56I31-H51 PolarHBondContact O-CD2 3.49Å; I31-H51 VanDerWaalsContact O-CD2 3.28Å; Y32-H51 HydrophobicContact CD1-CB 3.86Å; Y32-H51 HydrophobicContact CE1-CB 3.69Å; Y32-H51 AromaticContact CE1-CD2 3.81Å; Y32-H51 AromaticContact CZ-CD2 3.92Å; H51-A53 VanDerWaalsContact C-N 3.32Å; H51-A53 PolarHBondContact O-N 2.85Å; H51-T54 PolarHBondContact ND1-OG1 3.04Å; H51-T54 PolarHBondContact O-N 3.44Å; H51-Q55 VanDerWaalsContact O-CA 3.3Å; H51-Q55 WeakPolarHBondContact O-CA 3.47Å; H51-Q55 PolarHBondContact O-N 2.8Å; H51-T56 PolarHBondContact N-O 3.12Å
52I98Very high93.6Very high80 Ų8047.1 Ų47.141%0.4126%0.262SS..THydrogen-bonded Turntrans-62.7-39.1-164.2-64.8170.9000111.7I31 E33 T50 Q55I31-I52 PolarHBondContact O-N 3.48Å; E33-I52 HydrophobicContact CB-CG1 4.32Å; T50-I52 PolarHBondContact O-N 3.33Å; I52-Q55 PolarHBondContact O-NE2 3.03Å
53A97.1Very high94.8Very high90 Ų9043.3 Ų43.374%0.74424%0.235SC*.THydrogen-bonded Turntrans-76.5-28.7-176.300000114.5H51H51-A53 VanDerWaalsContact C-N 3.32Å; H51-A53 PolarHBondContact O-N 2.85Å
54T97.3Very high95.7Very high80 Ų8051.4 Ų51.449%0.49127%0.265SS..THydrogen-bonded Turntrans-113.5-5.2-176.964.80000114H51 T56H51-T54 PolarHBondContact ND1-OG1 3.04Å; H51-T54 PolarHBondContact O-N 3.44Å; T54-T56 WeakPolarHBondContact CB-OG1 3.45Å; T54-T56 PolarHBondContact O-N 2.66Å; T54-T56 PolarHBondContact O-OG1 3.41Å; T54-T56 WeakPolarHBondContact OG1-CB 3.2Å; T54-T56 PolarHBondContact OG1-OG1 3.02Å
55Q97.6Very high95.9Very high131 Ų13154.7 Ų54.761%0.61227%0.273SS*.  trans56.313.1-173-60.6-66-60.400114.5H51 I52H51-Q55 VanDerWaalsContact O-CA 3.3Å; H51-Q55 WeakPolarHBondContact O-CA 3.47Å; H51-Q55 PolarHBondContact O-N 2.8Å; I52-Q55 PolarHBondContact O-NE2 3.03Å
56T97.1Very high95.4Very high59 Ų5953.7 Ų53.736%0.36227%0.27SS..  trans-74.6133.9178.8-42.10000110.3H51 T54 W58H51-T56 PolarHBondContact N-O 3.12Å; T54-T56 WeakPolarHBondContact CB-OG1 3.45Å; T54-T56 PolarHBondContact O-N 2.66Å; T54-T56 PolarHBondContact O-OG1 3.41Å; T54-T56 WeakPolarHBondContact OG1-CB 3.2Å; T54-T56 PolarHBondContact OG1-OG1 3.02Å; T56-W58 HydrophobicContact CG2-CZ2 3.72Å; T56-W58 VanDerWaalsContact O-CD1 3.25Å
57K97.2Very high94.8Very high93 Ų9355.3 Ų55.340%0.40429%0.288SS..EExtended strand (participates in β ladder)trans-90.4137.8176.3-70.6-166.4167.2-163.30112.3E48 A49 L110E48-K57 WeakPolarHBondContact OE1-CE 3.27Å; E48-K57 IonicContact OE1-NZ 2.67Å; E48-K57 PolarHBondContact OE1-NZ 2.73Å; A49-K57 WeakPolarHBondContact O-CA 3.27Å; K57-L110 HydrophobicContact CB-CD2 3.73Å; K57-L110 HydrophobicContact CD-CD2 4.26Å
58W97.9Very high94Very high35 Ų3557.6 Ų57.613%0.13332%0.316CS..EExtended strand (participates in β ladder)trans-135.9165.9-176.1-6099.1000111.1Y32 A49 T56 E95 V107Y32-W58 AromaticContact CE1-CD1 3.78Å; Y32-W58 HydrophobicContact CE1-CG 4.4Å; A49-W58 PolarHBondContact N-O 2.9Å; A49-W58 PolarHBondContact O-N 2.87Å; T56-W58 HydrophobicContact CG2-CZ2 3.72Å; T56-W58 VanDerWaalsContact O-CD1 3.25Å; W58-E95 HydrophobicContact CE3-CB 4.21Å; W58-E95 HydrophobicContact CH2-CB 3.82Å; W58-E95 HydrophobicContact CH2-CG 3.61Å; W58-E95 VanDerWaalsContact CH2-OE2 3.32Å; W58-E95 WeakPolarHBondContact CH2-OE2 3.44Å; W58-E95 HydrophobicContact CZ2-CB 4.44Å; W58-E95 HydrophobicContact CZ2-CG 3.92Å; W58-E95 HydrophobicContact CZ3-CB 3.69Å; W58-E95 HydrophobicContact CZ3-CG 4.03Å; W58-V107 HydrophobicContact CB-CG1 3.65Å; W58-V107 HydrophobicContact CD2-CG1 4Å; W58-V107 HydrophobicContact CE3-CG1 4.27Å; W58-V107 HydrophobicContact CG-CG1 3.74Å
59A97.4Very high93Very high8 Ų859 Ų597%0.06634%0.337CS..EExtended strand (participates in β ladder)trans-101.9132.4162.300000109.5L38 V46 Y47 V107 T108 L110L38-A59 HydrophobicContact CD1-CB 4.03Å; V46-A59 HydrophobicContact CG1-CB 4.18Å; Y47-A59 CarbonylContact O-C 3.56Å; Y47-A59 WeakPolarHBondContact O-CA 3.4Å; A59-V107 WeakPolarHBondContact O-CA 3.28Å; A59-T108 PolarHBondContact N-O 3.12Å; A59-T108 PolarHBondContact O-N 2.91Å; A59-L110 HydrophobicContact CB-CD1 4.24Å
60I97.1Very high92.3Very high0 Ų061 Ų610%035%0.351CS..EExtended strand (participates in β ladder)trans-116.8110.5178.2-56.7-171.8000109.8L28 Y32 F34 V46 Y47 A49 E62 C105 L106 V107L28-I60 HydrophobicContact CD2-CG2 4.39Å; Y32-I60 HydrophobicContact CD1-CD1 3.78Å; Y32-I60 HydrophobicContact CD2-CD1 3.81Å; Y32-I60 HydrophobicContact CE1-CD1 4.15Å; Y32-I60 HydrophobicContact CE2-CD1 4.2Å; Y32-I60 HydrophobicContact CG-CD1 3.6Å; F34-I60 HydrophobicContact CE1-CB 4.49Å; F34-I60 HydrophobicContact CE1-CD1 4.45Å; F34-I60 HydrophobicContact CE1-CG2 4.43Å; F34-I60 HydrophobicContact CZ-CD1 4.17Å; V46-I60 CarbonylContact C-O 3.58Å; V46-I60 WeakPolarHBondContact CA-O 3.34Å; Y47-I60 PolarHBondContact N-O 3.12Å; Y47-I60 PolarHBondContact O-N 2.89Å; A49-I60 HydrophobicContact CB-CD1 3.49Å; A49-I60 VanDerWaalsContact CB-CD1 3.49Å; A49-I60 HydrophobicContact CB-CG1 3.79Å; I60-E62 HydrophobicContact CG2-CG 4.41Å; I60-E62 PolarHBondContact O-N 3.5Å; I60-C105 HydrophobicContact CG2-CB 4.06Å; I60-L106 WeakPolarHBondContact CA-O 3.5Å; I60-V107 HydrophobicContact CD1-CG2 4.26Å; I60-V107 HydrophobicContact CG1-CG1 4.31Å; I60-V107 HydrophobicContact CG1-CG2 4.1Å
61K94.9Very high91.3Very high30 Ų3064.2 Ų64.213%0.1338%0.375CS..EExtended strand (participates in β ladder)trans-86.197174-172.1-172.5-167.7-177.80108.9V46 V63 E79 C105 L106V46-K61 HydrophobicContact CG2-CB 4.13Å; V46-K61 HydrophobicContact CG2-CG 4Å; K61-V63 HydrophobicContact CD-CG2 4.38Å; K61-V63 HydrophobicContact CG-CG2 4.1Å; K61-V63 PolarHBondContact O-N 2.96Å; K61-E79 IonicContact NZ-OE1 3.17Å; K61-E79 PolarHBondContact NZ-OE1 3.19Å; K61-E79 IonicContact NZ-OE2 3.14Å; K61-E79 PolarHBondContact NZ-OE2 3.48Å; K61-C105 WeakPolarHBondContact O-CA 3.29Å; K61-L106 HydrophobicContact CB-CB 4.3Å; K61-L106 PolarHBondContact N-O 2.86Å; K61-L106 PolarHBondContact O-N 3.34Å; K61-L106 VanDerWaalsContact O-N 3.12Å
62E94.3Very high90.3Very high22 Ų2267.4 Ų67.410%0.10339%0.388CS..EExtended strand (participates in β ladder)trans-79.3114173.1-71.8-149.3132.700111.2G44 I45 Y47 I60 K103G44-E62 WeakPolarHBondContact CA-O 3.29Å; I45-E62 PolarHBondContact N-O 3.43Å; I45-E62 VanDerWaalsContact N-O 3.12Å; I45-E62 PolarHBondContact O-N 2.89Å; Y47-E62 HydrophobicContact CD2-CG 4.22Å; Y47-E62 HydrophobicContact CE2-CB 4.46Å; Y47-E62 HydrophobicContact CE2-CG 4.12Å; I60-E62 HydrophobicContact CG2-CG 4.41Å; I60-E62 PolarHBondContact O-N 3.5Å; E62-K103 HydrophobicContact CB-CD 4.46Å; E62-K103 HydrophobicContact CG-CD 4.48Å; E62-K103 WeakPolarHBondContact OE1-CD 3.23Å; E62-K103 IonicContact OE1-NZ 2.7Å; E62-K103 PolarHBondContact OE1-NZ 3.04Å; E62-K103 IonicContact OE2-NZ 3.72Å; E62-K103 PolarHBondContact OE2-NZ 3.35Å
63V92.5Very high89.6Confident4 Ų467.1 Ų67.12%0.02438%0.384CS..EExtended strand (participates in β ladder)trans-112.1119.9176.2177.40000109.6F43 K61 K65 L76 K103 I104F43-V63 HydrophobicContact CB-CG2 4.42Å; F43-V63 WeakPolarHBondContact O-CG1 3.4Å; K61-V63 HydrophobicContact CD-CG2 4.38Å; K61-V63 HydrophobicContact CG-CG2 4.1Å; K61-V63 PolarHBondContact O-N 2.96Å; V63-K65 PolarHBondContact O-N 3.32Å; V63-L76 HydrophobicContact CB-CD1 4.2Å; V63-L76 HydrophobicContact CB-CD2 4.21Å; V63-L76 HydrophobicContact CG1-CD1 4.03Å; V63-L76 HydrophobicContact CG1-CD2 3.51Å; V63-L76 HydrophobicContact CG1-CG 4.37Å; V63-L76 HydrophobicContact CG2-CD1 3.92Å; V63-K103 CarbonylContact O-C 3.56Å; V63-K103 VanDerWaalsContact O-CA 3.23Å; V63-K103 WeakPolarHBondContact O-CA 3.44Å; V63-K103 WeakPolarHBondContact O-CB 3.37Å; V63-I104 WeakPolarHBondContact CB-O 3.35Å; V63-I104 PolarHBondContact N-O 2.84Å; V63-I104 PolarHBondContact O-N 2.84Å
64R91.3Very high88.9Confident210 Ų21069.5 Ų69.579%0.79238%0.377SS*.EExtended strand (participates in β ladder)trans-64132.8168.9-73.8-176.2179.5139.11.6108.9P66R64-P66 WeakPolarHBondContact O-CD 3.44Å
65K88.9Confident88.1Confident88 Ų8867.6 Ų67.638%0.38336%0.363SS..  trans-55.6111.8-178.8-82.7176.5168.11750110.3V63 N99 T100 T102 K103 I104V63-K65 PolarHBondContact O-N 3.32Å; K65-N99 PolarHBondContact NZ-OD1 2.85Å; K65-T100 PolarHBondContact NZ-O 3.04Å; K65-T102 WeakPolarHBondContact CB-O 3.44Å; K65-T102 PolarHBondContact N-O 3.11Å; K65-K103 VanDerWaalsContact CE-O 3.27Å; K65-K103 WeakPolarHBondContact CE-O 3.44Å; K65-I104 HydrophobicContact CD-CG1 4.36Å; K65-I104 HydrophobicContact CG-CD1 4.35Å; K65-I104 HydrophobicContact CG-CG1 3.77Å
66P82.3Confident87.6Confident28 Ų2861.4 Ų61.418%0.18234%0.335CS..PPolyproline II helixtrans-71.8159.1176.230.8-33.8000109.8R64 A68 K72 F73 L76R64-P66 WeakPolarHBondContact O-CD 3.44Å; P66-A68 PolarHBondContact O-N 2.93Å; P66-K72 HydrophobicContact CB-CB 3.86Å; P66-K72 HydrophobicContact CG-CB 4.29Å; P66-F73 HydrophobicContact CB-CB 4.48Å; P66-F73 VanDerWaalsContact CG-CA 3.48Å; P66-F73 HydrophobicContact CG-CB 3.82Å; P66-F73 HydrophobicContact CG-CD2 4.18Å; P66-F73 HydrophobicContact CG-CG 4.49Å; P66-L76 HydrophobicContact CG-CD2 4.48Å
67A83Confident87.1Confident75 Ų7562.1 Ų62.162%0.6234%0.336SS*.PPolyproline II helixtrans-54.7136.8176.900000111.1S70A67-S70 WeakPolarHBondContact O-CB 3.23Å; A67-S70 PolarHBondContact O-N 3.11Å; A67-S70 VanDerWaalsContact O-N 3.12Å; A67-S70 PolarHBondContact O-OG 2.87Å
68A79.9Confident86.5Confident94 Ų9460 Ų6078%0.77733%0.329SS*.THydrogen-bonded Turntrans-55.3140.5-177.900000111.4P66 S70P66-A68 PolarHBondContact O-N 2.93Å; A68-S70 PolarHBondContact O-N 3.29Å; A68-S70 VanDerWaalsContact O-N 3.07Å
69G75.9Confident86Confident53 Ų5358.8 Ų58.855%0.54633%0.325SS..THydrogen-bonded Turntrans72.3-11.6-177.800000116.1K74G69-K74 WeakPolarHBondContact O-CE 3.2Å
70S81.6Confident85.7Confident40 Ų4059.1 Ų59.128%0.2833%0.325SS..SBendtrans-63.2156.9177.571.50000112.6A67 A68 K72 F73 K74A67-S70 WeakPolarHBondContact O-CB 3.23Å; A67-S70 PolarHBondContact O-N 3.11Å; A67-S70 VanDerWaalsContact O-N 3.12Å; A67-S70 PolarHBondContact O-OG 2.87Å; A68-S70 PolarHBondContact O-N 3.29Å; A68-S70 VanDerWaalsContact O-N 3.07Å; S70-K72 PolarHBondContact O-N 3.04Å; S70-F73 WeakPolarHBondContact O-CB 3.47Å; S70-F73 PolarHBondContact O-N 2.79Å; S70-F73 PolarHBondContact OG-N 3.43Å; S70-K74 PolarHBondContact O-N 2.88Å; S70-K74 VanDerWaalsContact O-N 3.08Å
71S77.2Confident85.4Confident89 Ų8961.9 Ų61.962%0.62234%0.34SS*.Hα-helixtrans-57-37.4178.3-1580000112.4F73 K74 M75S71-F73 VanDerWaalsContact C-N 3.34Å; S71-F73 PolarHBondContact O-N 3.19Å; S71-K74 PolarHBondContact O-N 3.41Å; S71-M75 VanDerWaalsContact O-CG 3.28Å; S71-M75 WeakPolarHBondContact O-CG 3.47Å; S71-M75 PolarHBondContact O-N 3.48Å
72K78.4Confident85.3Confident107 Ų10760.7 Ų60.747%0.46534%0.335SS..Hα-helixtrans-66.2-33.8175.9-68.8-163.9175.9-1640113S42 F43 P66 S70 L76S42-K72 PolarHBondContact O-NZ 3.11Å; F43-K72 HydrophobicContact CE1-CB 4.47Å; F43-K72 HydrophobicContact CE1-CG 4.35Å; P66-K72 HydrophobicContact CB-CB 3.86Å; P66-K72 HydrophobicContact CG-CB 4.29Å; S70-K72 PolarHBondContact O-N 3.04Å; K72-L76 WeakPolarHBondContact O-CB 3.42Å; K72-L76 PolarHBondContact O-N 2.87Å
73F83.6Confident85.2Confident74 Ų7459.9 Ų59.933%0.32533%0.331SS..Hα-helixtrans-64.3-49.1172.6-175.8-87.6000110.6P66 S70 S71 M75 L76 D77P66-F73 HydrophobicContact CB-CB 4.48Å; P66-F73 VanDerWaalsContact CG-CA 3.48Å; P66-F73 HydrophobicContact CG-CB 3.82Å; P66-F73 HydrophobicContact CG-CD2 4.18Å; P66-F73 HydrophobicContact CG-CG 4.49Å; S70-F73 WeakPolarHBondContact O-CB 3.47Å; S70-F73 PolarHBondContact O-N 2.79Å; S70-F73 PolarHBondContact OG-N 3.43Å; S71-F73 VanDerWaalsContact C-N 3.34Å; S71-F73 PolarHBondContact O-N 3.19Å; F73-M75 PolarHBondContact O-N 3Å; F73-L76 PolarHBondContact O-N 3.19Å; F73-D77 HydrophobicContact CE1-CB 4.29Å; F73-D77 WeakPolarHBondContact O-CB 3.11Å; F73-D77 PolarHBondContact O-N 2.85Å
74K81.1Confident85.3Confident139 Ų13962.9 Ų62.960%0.60434%0.344SS*.Hα-helixtrans-61.2-41.5-179.4-63.6-174.1-179.8-170.10112.7G69 S70 S71 N78G69-K74 WeakPolarHBondContact O-CE 3.2Å; S70-K74 PolarHBondContact O-N 2.88Å; S70-K74 VanDerWaalsContact O-N 3.08Å; S71-K74 PolarHBondContact O-N 3.41Å; K74-N78 WeakPolarHBondContact O-CB 3.41Å; K74-N78 PolarHBondContact O-N 3.15Å
75M82.1Confident85.3Confident41 Ų4157.2 Ų57.220%0.20233%0.327CS..Hα-helixtrans-65-42.3176.8-67.8177.873.600112.5F43 S71 F73 E79 G181 L182F43-M75 HydrophobicContact CE1-CB 4.12Å; F43-M75 HydrophobicContact CE1-CE 4.45Å; F43-M75 HydrophobicContact CE1-SD 4.3Å; F43-M75 HydrophobicContact CE2-CE 4.33Å; F43-M75 HydrophobicContact CZ-CB 4.3Å; F43-M75 HydrophobicContact CZ-CE 3.57Å; F43-M75 HydrophobicContact CZ-SD 3.88Å; S71-M75 VanDerWaalsContact O-CG 3.28Å; S71-M75 WeakPolarHBondContact O-CG 3.47Å; S71-M75 PolarHBondContact O-N 3.48Å; F73-M75 PolarHBondContact O-N 3Å; M75-E79 WeakPolarHBondContact O-CB 3.29Å; M75-E79 PolarHBondContact O-N 3.36Å; M75-G181 WeakPolarHBondContact CB-O 3.36Å; M75-G181 VanDerWaalsContact CE-O 3.29Å; M75-G181 WeakPolarHBondContact CE-O 3.41Å; M75-G181 VanDerWaalsContact CG-O 3.29Å; M75-G181 WeakPolarHBondContact CG-O 3.46Å; M75-L182 HydrophobicContact CE-CD2 3.49Å; M75-L182 VanDerWaalsContact CE-CD2 3.49Å; M75-L182 HydrophobicContact CE-CG 3.64Å; M75-L182 HydrophobicContact SD-CD2 4.48Å
76L86Confident85.5Confident1 Ų153.7 Ų53.71%0.00531%0.312CS..Hα-helixtrans-67.6-43.5178.2179.266.7000112.3V63 P66 K72 F73 N78 E79 I80 I104 L106V63-L76 HydrophobicContact CB-CD1 4.2Å; V63-L76 HydrophobicContact CB-CD2 4.21Å; V63-L76 HydrophobicContact CG1-CD1 4.03Å; V63-L76 HydrophobicContact CG1-CD2 3.51Å; V63-L76 HydrophobicContact CG1-CG 4.37Å; V63-L76 HydrophobicContact CG2-CD1 3.92Å; P66-L76 HydrophobicContact CG-CD2 4.48Å; K72-L76 WeakPolarHBondContact O-CB 3.42Å; K72-L76 PolarHBondContact O-N 2.87Å; F73-L76 PolarHBondContact O-N 3.19Å; L76-N78 VanDerWaalsContact C-N 3.34Å; L76-E79 PolarHBondContact O-N 3.1Å; L76-I80 HydrophobicContact CD1-CD1 4.23Å; L76-I80 HydrophobicContact CG-CD1 4.08Å; L76-I80 VanDerWaalsContact O-CG1 3.29Å; L76-I80 WeakPolarHBondContact O-CG1 3.39Å; L76-I80 PolarHBondContact O-N 2.86Å; L76-I104 HydrophobicContact CD2-CB 4.42Å; L76-I104 HydrophobicContact CD2-CD1 3.89Å; L76-I104 HydrophobicContact CD2-CG1 4.41Å; L76-L106 HydrophobicContact CD1-CD1 4.14Å
77D85.9Confident86Confident73 Ų7356.2 Ų56.239%0.3932%0.324SS..Hα-helixtrans-63.6-42.1176.6-17370.6000110.8F73 I80 N81F73-D77 HydrophobicContact CE1-CB 4.29Å; F73-D77 WeakPolarHBondContact O-CB 3.11Å; F73-D77 PolarHBondContact O-N 2.85Å; D77-I80 PolarHBondContact O-N 3.03Å; D77-N81 VanDerWaalsContact CG-ND2 3.35Å; D77-N81 VanDerWaalsContact O-CB 3.24Å; D77-N81 WeakPolarHBondContact O-CB 3.42Å; D77-N81 PolarHBondContact O-N 2.82Å; D77-N81 PolarHBondContact O-ND2 3.07Å; D77-N81 PolarHBondContact OD2-ND2 3.2Å
78N84.6Confident86.7Confident48 Ų4854.2 Ų54.226%0.25730%0.302SS..Hα-helixtrans-63.2-45.3173.7-174.885.7000112.9K74 L76 I80 N81 I82 F180 S183K74-N78 WeakPolarHBondContact O-CB 3.41Å; K74-N78 PolarHBondContact O-N 3.15Å; L76-N78 VanDerWaalsContact C-N 3.34Å; N78-I80 PolarHBondContact O-N 3.48Å; N78-N81 PolarHBondContact O-N 3.38Å; N78-I82 WeakPolarHBondContact ND2-CD1 3.43Å; N78-I82 WeakPolarHBondContact O-CB 3.4Å; N78-I82 WeakPolarHBondContact O-CG1 3.45Å; N78-I82 PolarHBondContact O-N 2.79Å; N78-F180 PolarHBondContact ND2-O 3.31Å; N78-F180 VanDerWaalsContact ND2-O 3.11Å; N78-S183 PolarHBondContact ND2-O 3.36Å
79E89.1Confident87.4Confident11 Ų1152.6 Ų52.65%0.05129%0.289CS..Hα-helixtrans-56.1-50.5174.6-179.1-175.3-16300110.9K61 M75 L76 I82 L83 L106 F180K61-E79 IonicContact NZ-OE1 3.17Å; K61-E79 PolarHBondContact NZ-OE1 3.19Å; K61-E79 IonicContact NZ-OE2 3.14Å; K61-E79 PolarHBondContact NZ-OE2 3.48Å; M75-E79 WeakPolarHBondContact O-CB 3.29Å; M75-E79 PolarHBondContact O-N 3.36Å; L76-E79 PolarHBondContact O-N 3.1Å; E79-I82 PolarHBondContact O-N 3.42Å; E79-L83 HydrophobicContact CG-CD1 3.9Å; E79-L83 WeakPolarHBondContact O-CB 3.29Å; E79-L83 VanDerWaalsContact O-CG 3.28Å; E79-L83 WeakPolarHBondContact O-CG 3.33Å; E79-L83 PolarHBondContact O-N 2.84Å; E79-L106 HydrophobicContact CG-CD2 4.48Å; E79-F180 HydrophobicContact CG-CB 4.42Å
80I90.7Very high88.5Confident14 Ų1451 Ų517%0.07227%0.267CS..Hα-helixtrans-61.6-48177.9-68.5165.3000110.6L76 D77 N78 I82 L83 K84 T97 I104 L106L76-I80 HydrophobicContact CD1-CD1 4.23Å; L76-I80 HydrophobicContact CG-CD1 4.08Å; L76-I80 VanDerWaalsContact O-CG1 3.29Å; L76-I80 WeakPolarHBondContact O-CG1 3.39Å; L76-I80 PolarHBondContact O-N 2.86Å; D77-I80 PolarHBondContact O-N 3.03Å; N78-I80 PolarHBondContact O-N 3.48Å; I80-I82 VanDerWaalsContact C-N 3.34Å; I80-I82 PolarHBondContact O-N 3.18Å; I80-L83 PolarHBondContact O-N 3.03Å; I80-K84 HydrophobicContact CG2-CD 4.1Å; I80-K84 HydrophobicContact CG2-CG 4.49Å; I80-K84 VanDerWaalsContact O-CG 3.23Å; I80-K84 WeakPolarHBondContact O-CG 3.29Å; I80-K84 PolarHBondContact O-N 3.4Å; I80-T97 HydrophobicContact CG2-CG2 4.2Å; I80-I104 HydrophobicContact CD1-CG2 3.88Å; I80-L106 HydrophobicContact CD1-CD1 4.11Å; I80-L106 HydrophobicContact CG1-CD1 4.09Å; I80-L106 HydrophobicContact CG1-CD2 3.87Å; I80-L106 HydrophobicContact CG1-CG 4.04Å
81N91.3Very high89.2Confident58 Ų5849.1 Ų49.131%0.3125%0.254SS..Hα-helixtrans-67-34.2-175.7-71.8-31.6000112.2D77 N78 Q85D77-N81 VanDerWaalsContact CG-ND2 3.35Å; D77-N81 VanDerWaalsContact O-CB 3.24Å; D77-N81 WeakPolarHBondContact O-CB 3.42Å; D77-N81 PolarHBondContact O-N 2.82Å; D77-N81 PolarHBondContact O-ND2 3.07Å; D77-N81 PolarHBondContact OD2-ND2 3.2Å; N78-N81 PolarHBondContact O-N 3.38Å; N81-Q85 PolarHBondContact O-NE2 3.42Å
82I91.4Very high90.2Very high5 Ų545.3 Ų45.33%0.02623%0.226CC..Hα-helixtrans-71.3-47.2172.9-70.5173.1000110.9N78 E79 I80 K84 Q85 V86 I150 F180N78-I82 WeakPolarHBondContact ND2-CD1 3.43Å; N78-I82 WeakPolarHBondContact O-CB 3.4Å; N78-I82 WeakPolarHBondContact O-CG1 3.45Å; N78-I82 PolarHBondContact O-N 2.79Å; E79-I82 PolarHBondContact O-N 3.42Å; I80-I82 VanDerWaalsContact C-N 3.34Å; I80-I82 PolarHBondContact O-N 3.18Å; I82-K84 PolarHBondContact O-N 3.4Å; I82-K84 VanDerWaalsContact O-N 3.12Å; I82-Q85 PolarHBondContact O-N 2.98Å; I82-V86 HydrophobicContact CG2-CG1 4.29Å; I82-V86 PolarHBondContact O-N 3.11Å; I82-I150 HydrophobicContact CD1-CG2 4.21Å; I82-I150 HydrophobicContact CG2-CD1 4.29Å; I82-I150 HydrophobicContact CG2-CG2 4.1Å; I82-F180 HydrophobicContact CB-CB 4.23Å; I82-F180 HydrophobicContact CD1-CB 4.49Å; I82-F180 HydrophobicContact CG2-CB 4.01Å; I82-F180 HydrophobicContact CG2-CD1 3.55Å; I82-F180 HydrophobicContact CG2-CE1 4.14Å; I82-F180 HydrophobicContact CG2-CG 3.78Å
83L93.5Very high90.9Very high5 Ų541.9 Ų41.93%0.02621%0.212CC..Hα-helixtrans-60.6-21.8178.2-75.1174.2000113.8E79 I80 V86 I92 L94 L106 F180E79-L83 HydrophobicContact CG-CD1 3.9Å; E79-L83 WeakPolarHBondContact O-CB 3.29Å; E79-L83 VanDerWaalsContact O-CG 3.28Å; E79-L83 WeakPolarHBondContact O-CG 3.33Å; E79-L83 PolarHBondContact O-N 2.84Å; I80-L83 PolarHBondContact O-N 3.03Å; L83-V86 HydrophobicContact CD2-CG2 4.45Å; L83-I92 HydrophobicContact CD2-CG2 3.79Å; L83-L94 HydrophobicContact CB-CB 3.97Å; L83-L94 HydrophobicContact CB-CD2 3.55Å; L83-L94 HydrophobicContact CB-CG 4.35Å; L83-L94 HydrophobicContact CD1-CD2 4.36Å; L83-L106 HydrophobicContact CD1-CD2 4.15Å; L83-F180 HydrophobicContact CD2-CD2 3.55Å; L83-F180 HydrophobicContact CD2-CE2 3.66Å; L83-F180 HydrophobicContact CG-CD2 3.97Å
84K92.9Very high91.6Very high67 Ų6738.4 Ų38.429%0.29120%0.197SC..THydrogen-bonded Turntrans-77.4-14.6171.3-74177.1169.5-179.40115.1V17 V19 I80 I82 L94V17-K84 HydrophobicContact CB-CG 4.03Å; V17-K84 HydrophobicContact CG1-CG 4.39Å; V17-K84 HydrophobicContact CG2-CG 4.4Å; V19-K84 VanDerWaalsContact CG2-NZ 3.25Å; I80-K84 HydrophobicContact CG2-CD 4.1Å; I80-K84 HydrophobicContact CG2-CG 4.49Å; I80-K84 VanDerWaalsContact O-CG 3.23Å; I80-K84 WeakPolarHBondContact O-CG 3.29Å; I80-K84 PolarHBondContact O-N 3.4Å; I82-K84 PolarHBondContact O-N 3.4Å; I82-K84 VanDerWaalsContact O-N 3.12Å; K84-L94 HydrophobicContact CG-CD2 4.46Å
85Q91.2Very high92.3Very high92 Ų9234.4 Ų34.443%0.4318%0.18SC..SBendtrans-113.82.1-173.3-73.1171.78200112.8N81 I82N81-Q85 PolarHBondContact O-NE2 3.42Å; I82-Q85 PolarHBondContact O-N 2.98Å
86V93.4Very high93Very high13 Ų1333 Ų338%0.07917%0.174CC..  trans-124.4130-178.4-57.80000110.1I82 L83 I91 Y144 L145 I150I82-V86 HydrophobicContact CG2-CG1 4.29Å; I82-V86 PolarHBondContact O-N 3.11Å; L83-V86 HydrophobicContact CD2-CG2 4.45Å; V86-I91 HydrophobicContact CB-CD1 4.41Å; V86-I91 HydrophobicContact CG2-CG2 3.85Å; V86-Y144 HydrophobicContact CB-CE1 3.88Å; V86-Y144 HydrophobicContact CG1-CE1 4.03Å; V86-L145 HydrophobicContact CG1-CD2 3.84Å; V86-I150 HydrophobicContact CG1-CD1 3.8Å
87D93.8Very high93.5Very high81 Ų8133 Ų3343%0.43317%0.174SC..  trans-140.7110.1172.3-170.2-10.4000106.6Y144D87-Y144 PolarHBondContact N-OH 3.28Å; D87-Y144 WeakPolarHBondContact O-CE2 3.23Å; D87-Y144 PolarHBondContact O-OH 2.95Å
88H96.3Very high94Very high34 Ų3430.2 Ų30.216%0.15716%0.158CC..  trans-157.1146.1-171-164.6-115.5000111.7H90 I91 D140 Y144H88-H90 VanDerWaalsContact C-N 3.27Å; H88-H90 PolarHBondContact O-N 3.4Å; H88-I91 HydrophobicContact CB-CB 4.06Å; H88-I91 HydrophobicContact CB-CD1 3.76Å; H88-I91 HydrophobicContact CB-CG1 3.91Å; H88-I91 PolarHBondContact O-N 3.01Å; H88-D140 IonicContact CE1-OD2 2.93Å; H88-D140 PolarHBondContact CE1-OD2 2.74Å; H88-D140 IonicContact NE2-OD2 3.82Å; H88-D140 PolarHBondContact NE2-OD2 3.48Å; H88-Y144 HydrophobicContact CB-CD1 4.08Å; H88-Y144 HydrophobicContact CB-CD2 3.95Å; H88-Y144 HydrophobicContact CB-CE1 4.19Å; H88-Y144 HydrophobicContact CB-CE2 3.98Å; H88-Y144 HydrophobicContact CB-CG 3.99Å; H88-Y144 AromaticContact CD2-CD2 3.13Å; H88-Y144 WeakPolarHBondContact CD2-CD2 3.33Å; H88-Y144 AromaticContact CD2-CE2 3.72Å; H88-Y144 AromaticContact CD2-CG 3.59Å; H88-Y144 AromaticContact CG-CD2 3.64Å; H88-Y144 AromaticContact CG-CG 3.69Å; H88-Y144 AromaticContact NE2-CD2 3.85Å
89A96.3Very high94.5Very high59 Ų5929.8 Ų29.849%0.48816%0.156SC..THydrogen-bonded Turntrans-52.4-44.9-177.900000112.6K176A89-K176 WeakPolarHBondContact O-CE 3.28Å; A89-K176 PolarHBondContact O-NZ 2.86Å
90H97.6Very high94.8Very high19 Ų1929.5 Ų29.59%0.08816%0.155CC..THydrogen-bonded Turntrans-101.116.8-174-57.5-51.4000114.9H88 C137 D140 A141 I175 V177H88-H90 VanDerWaalsContact C-N 3.27Å; H88-H90 PolarHBondContact O-N 3.4Å; H90-C137 HydrophobicContact CB-CB 4.4Å; H90-C137 WeakPolarHBondContact CB-O 3.38Å; H90-C137 PolarHBondContact CE1-SG 3.33Å; H90-D140 IonicContact CD2-OD2 2.65Å; H90-A141 HydrophobicContact CB-CB 4Å; H90-I175 WeakPolarHBondContact CA-O 3.26Å; H90-V177 PolarHBondContact O-N 2.94Å
91I97.6Very high94.9Very high2 Ų232.6 Ų32.61%0.0118%0.176CC..BIsolated β-bridgetrans-113.9146.4172.7-62176000108.9V86 H88 H93 A141 Y144 L145 K176 F180V86-I91 HydrophobicContact CB-CD1 4.41Å; V86-I91 HydrophobicContact CG2-CG2 3.85Å; H88-I91 HydrophobicContact CB-CB 4.06Å; H88-I91 HydrophobicContact CB-CD1 3.76Å; H88-I91 HydrophobicContact CB-CG1 3.91Å; H88-I91 PolarHBondContact O-N 3.01Å; I91-H93 PolarHBondContact O-N 3.14Å; I91-A141 HydrophobicContact CG1-CB 4.04Å; I91-Y144 HydrophobicContact CD1-CD1 3.73Å; I91-Y144 HydrophobicContact CD1-CE1 4.22Å; I91-Y144 HydrophobicContact CD1-CG 4.49Å; I91-L145 HydrophobicContact CD1-CD1 4.21Å; I91-L145 HydrophobicContact CD1-CD2 3.89Å; I91-L145 HydrophobicContact CD1-CG 3.83Å; I91-K176 WeakPolarHBondContact O-CD 3.37Å; I91-K176 PolarHBondContact O-NZ 3.24Å; I91-F180 HydrophobicContact CG2-CE2 3.83Å; I91-F180 HydrophobicContact CG2-CZ 3.67Å
92I96.7Very high94.9Very high8 Ų833.3 Ų33.34%0.04118%0.182CC..  trans-64.8119.4177.9-164.373.5000111.2L83 T108 E109 C111 L161 K176 V177 A178 F180L83-I92 HydrophobicContact CD2-CG2 3.79Å; I92-T108 HydrophobicContact CG1-CG2 4.41Å; I92-E109 HydrophobicContact CD1-CG 3.52Å; I92-E109 HydrophobicContact CG1-CG 4.32Å; I92-C111 VanDerWaalsContact CD1-SG 3.55Å; I92-L161 HydrophobicContact CD1-CD1 4.22Å; I92-K176 HydrophobicContact CB-CB 4.47Å; I92-K176 HydrophobicContact CD1-CB 4.05Å; I92-K176 HydrophobicContact CD1-CG 4.42Å; I92-V177 WeakPolarHBondContact CB-O 3.49Å; I92-V177 WeakPolarHBondContact CG2-O 3.29Å; I92-V177 PolarHBondContact N-O 3.03Å; I92-A178 HydrophobicContact CB-CB 4.13Å; I92-A178 HydrophobicContact CG2-CB 3.79Å; I92-F180 HydrophobicContact CG2-CE2 4.49Å
93H95Very high95Very high35 Ų3534.7 Ų34.716%0.16219%0.188CC..  trans-74.3132177.8170.746.9000111.9R15 I91 E95 T108 E109R15-H93 PolarHBondContact NH1-CE1 3.31Å; R15-H93 PolarHBondContact NH1-NE2 2.91Å; R15-H93 PolarHBondContact NH2-NE2 3.37Å; I91-H93 PolarHBondContact O-N 3.14Å; H93-E95 IonicContact CD2-OE2 3.66Å; H93-E95 IonicContact CE1-OE2 2.81Å; H93-E95 WeakPolarHBondContact NE2-CA 3.23Å; H93-E95 IonicContact NE2-OE2 3.82Å; H93-E95 PolarHBondContact NE2-OE2 2.84Å; H93-T108 CarbonylContact O-C 3.58Å; H93-T108 WeakPolarHBondContact O-CA 3.33Å; H93-T108 VanDerWaalsContact O-CB 3.23Å; H93-T108 WeakPolarHBondContact O-CB 3.48Å; H93-E109 HydrophobicContact CB-CB 4.44Å; H93-E109 HydrophobicContact CB-CG 4.3Å; H93-E109 WeakPolarHBondContact CB-OE1 3.38Å; H93-E109 PolarHBondContact N-OE1 3.45Å; H93-E109 PolarHBondContact O-N 3.1Å
94L96.6Very high95.1Very high2 Ų235.2 Ų35.21%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-103.6109.5173.8177.169.4000110.1V17 L83 K84 T97 L106 T108V17-L94 HydrophobicContact CG1-CD2 3.94Å; V17-L94 HydrophobicContact CG1-CG 3.89Å; V17-L94 WeakPolarHBondContact CG2-O 3.41Å; L83-L94 HydrophobicContact CB-CB 3.97Å; L83-L94 HydrophobicContact CB-CD2 3.55Å; L83-L94 HydrophobicContact CB-CG 4.35Å; L83-L94 HydrophobicContact CD1-CD2 4.36Å; K84-L94 HydrophobicContact CG-CD2 4.46Å; L94-T97 HydrophobicContact CD1-CG2 4.2Å; L94-T97 HydrophobicContact CD2-CG2 3.99Å; L94-T97 HydrophobicContact CG-CG2 4.46Å; L94-L106 HydrophobicContact CD1-CB 3.83Å; L94-L106 HydrophobicContact CD1-CD2 4.4Å; L94-L106 HydrophobicContact CD1-CG 4.25Å; L94-T108 HydrophobicContact CB-CG2 4.46Å; L94-T108 HydrophobicContact CD1-CG2 3.86Å
95E96.4Very high95.2Very high55 Ų5532 Ų3226%0.25718%0.177SC..EExtended strand (participates in β ladder)trans-77.8-48.2-176.9-17360.8-131.400112.4R15 P18 W58 H93 V107R15-E95 IonicContact CZ-OE2 2.63Å; R15-E95 IonicContact NH2-OE1 2.74Å; R15-E95 PolarHBondContact NH2-OE1 3.11Å; R15-E95 IonicContact NH2-OE2 2.69Å; R15-E95 PolarHBondContact NH2-OE2 3.16Å; P18-E95 WeakPolarHBondContact CD-O 3.16Å; W58-E95 HydrophobicContact CE3-CB 4.21Å; W58-E95 HydrophobicContact CH2-CB 3.82Å; W58-E95 HydrophobicContact CH2-CG 3.61Å; W58-E95 VanDerWaalsContact CH2-OE2 3.32Å; W58-E95 WeakPolarHBondContact CH2-OE2 3.44Å; W58-E95 HydrophobicContact CZ2-CB 4.44Å; W58-E95 HydrophobicContact CZ2-CG 3.92Å; W58-E95 HydrophobicContact CZ3-CB 3.69Å; W58-E95 HydrophobicContact CZ3-CG 4.03Å; H93-E95 IonicContact CD2-OE2 3.66Å; H93-E95 IonicContact CE1-OE2 2.81Å; H93-E95 WeakPolarHBondContact NE2-CA 3.23Å; H93-E95 IonicContact NE2-OE2 3.82Å; H93-E95 PolarHBondContact NE2-OE2 2.84Å; E95-V107 PolarHBondContact N-O 2.91Å
96V96.5Very high95.4Very high10 Ų1027.7 Ų27.76%0.06116%0.157CC..EExtended strand (participates in β ladder)trans-159.3152.3-173.455.80000111.2P18 I20 Y98 V107P18-V96 HydrophobicContact CB-CG2 4.12Å; I20-V96 HydrophobicContact CD1-CG2 3.9Å; I20-V96 HydrophobicContact CG1-CG2 4.18Å; V96-Y98 HydrophobicContact CB-CE2 4.37Å; V96-Y98 HydrophobicContact CG1-CD2 4.31Å; V96-Y98 HydrophobicContact CG1-CE2 3.55Å; V96-Y98 HydrophobicContact CG2-CD2 4.3Å; V96-Y98 HydrophobicContact CG2-CE2 3.85Å; V96-V107 HydrophobicContact CG1-CB 3.7Å; V96-V107 HydrophobicContact CG1-CG1 4.27Å; V96-V107 HydrophobicContact CG1-CG2 3.79Å; V96-V107 PolarHBondContact O-N 3.26Å
97T96.8Very high95.6Very high2 Ų227 Ų271%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-116.1130.5171.658.10000111.2P18 V19 I20 I80 L94 C105 L106P18-T97 PolarHBondContact O-N 3.35Å; P18-T97 PolarHBondContact O-OG1 2.86Å; V19-T97 WeakPolarHBondContact CA-O 3.27Å; I20-T97 PolarHBondContact N-O 3.32Å; I80-T97 HydrophobicContact CG2-CG2 4.2Å; L94-T97 HydrophobicContact CD1-CG2 4.2Å; L94-T97 HydrophobicContact CD2-CG2 3.99Å; L94-T97 HydrophobicContact CG-CG2 4.46Å; T97-C105 WeakPolarHBondContact CA-O 3.32Å; T97-L106 HydrophobicContact CG2-CG 4.42Å
98Y97.1Very high95.7Very high14 Ų1424.2 Ų24.26%0.05514%0.139CC..EExtended strand (participates in β ladder)trans-107.1130.8174.6-68.5-86.3000111.1I20 L22 L28 I31 Y32 V96 I104 C105 V107I20-Y98 HydrophobicContact CB-CD1 3.69Å; I20-Y98 HydrophobicContact CB-CE1 3.73Å; I20-Y98 HydrophobicContact CD1-CE1 3.73Å; I20-Y98 HydrophobicContact CG1-CE1 4.28Å; I20-Y98 HydrophobicContact CG2-CD1 3.83Å; I20-Y98 HydrophobicContact CG2-CE1 3.75Å; I20-Y98 CarbonylContact O-C 3.59Å; I20-Y98 WeakPolarHBondContact O-CA 3.46Å; L22-Y98 HydrophobicContact CD1-CD1 3.76Å; L22-Y98 HydrophobicContact CD1-CG 4.28Å; L22-Y98 HydrophobicContact CD2-CD1 4.13Å; L22-Y98 HydrophobicContact CD2-CE1 4.49Å; L22-Y98 HydrophobicContact CG-CD1 3.93Å; L28-Y98 HydrophobicContact CD1-CD1 4.22Å; L28-Y98 HydrophobicContact CD1-CD2 3.68Å; L28-Y98 HydrophobicContact CD1-CE2 4.05Å; L28-Y98 HydrophobicContact CD1-CG 3.78Å; I31-Y98 HydrophobicContact CD1-CE1 3.79Å; Y32-Y98 HydrophobicContact CE2-CD2 4.46Å; Y32-Y98 AromaticContact CE2-CE2 3.62Å; Y32-Y98 HydrophobicContact CE2-CE2 3.62Å; Y32-Y98 AromaticContact CE2-CZ 3.97Å; V96-Y98 HydrophobicContact CB-CE2 4.37Å; V96-Y98 HydrophobicContact CG1-CD2 4.31Å; V96-Y98 HydrophobicContact CG1-CE2 3.55Å; V96-Y98 HydrophobicContact CG2-CD2 4.3Å; V96-Y98 HydrophobicContact CG2-CE2 3.85Å; Y98-I104 CarbonylContact O-C 3.5Å; Y98-I104 WeakPolarHBondContact O-CA 3.27Å; Y98-C105 PolarHBondContact N-O 2.81Å; Y98-C105 PolarHBondContact O-N 3.1Å; Y98-V107 HydrophobicContact CD2-CG2 3.86Å; Y98-V107 HydrophobicContact CE2-CG2 3.86Å
99N95.5Very high95.7Very high40 Ų4023.8 Ų23.821%0.21414%0.137CC..EExtended strand (participates in β ladder)trans-111.9105.3178.1-95.1-70.6000109.9V19 I20 R21 L22 K65V19-N99 WeakPolarHBondContact CG1-ND2 3.24Å; I20-N99 PolarHBondContact O-N 3.33Å; R21-N99 CarbonylContact C-O 3.44Å; R21-N99 WeakPolarHBondContact CA-O 3.29Å; L22-N99 PolarHBondContact N-O 3.36Å; K65-N99 PolarHBondContact NZ-OD1 2.85Å
100T94.1Very high95.7Very high4 Ų422 Ų223%0.02512%0.119CC..  trans-94.1179.4175.486.70000110.2L22 D25 K65 T102 K103L22-T100 HydrophobicContact CB-CG2 4.4Å; L22-T100 HydrophobicContact CD1-CG2 4.33Å; D25-T100 WeakPolarHBondContact OD1-CB 3.35Å; D25-T100 PolarHBondContact OD1-OG1 2.94Å; K65-T100 PolarHBondContact NZ-O 3.04Å; T100-T102 VanDerWaalsContact C-N 3.35Å; T100-T102 PolarHBondContact O-N 2.95Å; T100-T102 PolarHBondContact OG1-N 3.23Å; T100-K103 HydrophobicContact CG2-CB 4.4Å; T100-K103 PolarHBondContact N-O 3.16Å; T100-K103 PolarHBondContact OG1-N 3.19Å; T100-K103 PolarHBondContact OG1-O 3.19Å
101P93.1Very high95.6Very high80 Ų8021.7 Ų21.752%0.51912%0.119SC..SBendtrans-58.8-41.8170.4-2535.3000113.3Q23Q23-P101 WeakPolarHBondContact O-CG 3.33Å
102T91.8Very high95.4Very high73 Ų7328.8 Ų28.845%0.44815%0.145SC..SBendtrans-107.6-15.5-172.596.40000115D25 K65 T100D25-T102 PolarHBondContact OD2-OG1 3.1Å; K65-T102 WeakPolarHBondContact CB-O 3.44Å; K65-T102 PolarHBondContact N-O 3.11Å; T100-T102 VanDerWaalsContact C-N 3.35Å; T100-T102 PolarHBondContact O-N 2.95Å; T100-T102 PolarHBondContact OG1-N 3.23Å
103K93.4Very high95.2Very high33 Ų3328.7 Ų28.714%0.14315%0.147CC..EExtended strand (participates in β ladder)trans-130.1161.5-173-48.2-174.4-162.3175.40113.5D25 E62 V63 K65 T100D25-K103 VanDerWaalsContact OD2-CE 3.27Å; D25-K103 WeakPolarHBondContact OD2-CE 3.25Å; E62-K103 HydrophobicContact CB-CD 4.46Å; E62-K103 HydrophobicContact CG-CD 4.48Å; E62-K103 WeakPolarHBondContact OE1-CD 3.23Å; E62-K103 IonicContact OE1-NZ 2.7Å; E62-K103 PolarHBondContact OE1-NZ 3.04Å; E62-K103 IonicContact OE2-NZ 3.72Å; E62-K103 PolarHBondContact OE2-NZ 3.35Å; V63-K103 CarbonylContact O-C 3.56Å; V63-K103 VanDerWaalsContact O-CA 3.23Å; V63-K103 WeakPolarHBondContact O-CA 3.44Å; V63-K103 WeakPolarHBondContact O-CB 3.37Å; K65-K103 VanDerWaalsContact CE-O 3.27Å; K65-K103 WeakPolarHBondContact CE-O 3.44Å; T100-K103 HydrophobicContact CG2-CB 4.4Å; T100-K103 PolarHBondContact N-O 3.16Å; T100-K103 PolarHBondContact OG1-N 3.19Å; T100-K103 PolarHBondContact OG1-O 3.19Å
104I94.2Very high95.1Very high16 Ų1628.1 Ų28.18%0.08215%0.15CC..EExtended strand (participates in β ladder)trans-119130157.2-48.1-171.4000106.2V63 K65 L76 I80 Y98 L106V63-I104 WeakPolarHBondContact CB-O 3.35Å; V63-I104 PolarHBondContact N-O 2.84Å; V63-I104 PolarHBondContact O-N 2.84Å; K65-I104 HydrophobicContact CD-CG1 4.36Å; K65-I104 HydrophobicContact CG-CD1 4.35Å; K65-I104 HydrophobicContact CG-CG1 3.77Å; L76-I104 HydrophobicContact CD2-CB 4.42Å; L76-I104 HydrophobicContact CD2-CD1 3.89Å; L76-I104 HydrophobicContact CD2-CG1 4.41Å; I80-I104 HydrophobicContact CD1-CG2 3.88Å; Y98-I104 CarbonylContact O-C 3.5Å; Y98-I104 WeakPolarHBondContact O-CA 3.27Å; I104-L106 HydrophobicContact CG2-CD1 4.31Å
105C95.4Very high95Very high0 Ų029.3 Ų29.30%016%0.158CC..EExtended strand (participates in β ladder)trans-120.6120.2-179-54.10000109.2L28 I60 K61 T97 Y98L28-C105 HydrophobicContact CD2-CB 3.86Å; I60-C105 HydrophobicContact CG2-CB 4.06Å; K61-C105 WeakPolarHBondContact O-CA 3.29Å; T97-C105 WeakPolarHBondContact CA-O 3.32Å; Y98-C105 PolarHBondContact N-O 2.81Å; Y98-C105 PolarHBondContact O-N 3.1Å
106L96Very high95Very high1 Ų126.7 Ų26.71%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-94.9129.5175.5-67.669.3000108.1I60 K61 L76 E79 I80 L83 L94 T97 I104I60-L106 WeakPolarHBondContact CA-O 3.5Å; K61-L106 HydrophobicContact CB-CB 4.3Å; K61-L106 PolarHBondContact N-O 2.86Å; K61-L106 PolarHBondContact O-N 3.34Å; K61-L106 VanDerWaalsContact O-N 3.12Å; L76-L106 HydrophobicContact CD1-CD1 4.14Å; E79-L106 HydrophobicContact CG-CD2 4.48Å; I80-L106 HydrophobicContact CD1-CD1 4.11Å; I80-L106 HydrophobicContact CG1-CD1 4.09Å; I80-L106 HydrophobicContact CG1-CD2 3.87Å; I80-L106 HydrophobicContact CG1-CG 4.04Å; L83-L106 HydrophobicContact CD1-CD2 4.15Å; L94-L106 HydrophobicContact CD1-CB 3.83Å; L94-L106 HydrophobicContact CD1-CD2 4.4Å; L94-L106 HydrophobicContact CD1-CG 4.25Å; T97-L106 HydrophobicContact CG2-CG 4.42Å; I104-L106 HydrophobicContact CG2-CD1 4.31Å
107V97.3Very high94.9Very high0 Ų030.9 Ų30.90%016%0.163CC..EExtended strand (participates in β ladder)trans-106.7110.7176-173.60000108.7Y32 W58 A59 I60 E95 V96 Y98Y32-V107 HydrophobicContact CE1-CG1 4.2Å; Y32-V107 HydrophobicContact CE2-CG2 4.43Å; W58-V107 HydrophobicContact CB-CG1 3.65Å; W58-V107 HydrophobicContact CD2-CG1 4Å; W58-V107 HydrophobicContact CE3-CG1 4.27Å; W58-V107 HydrophobicContact CG-CG1 3.74Å; A59-V107 WeakPolarHBondContact O-CA 3.28Å; I60-V107 HydrophobicContact CD1-CG2 4.26Å; I60-V107 HydrophobicContact CG1-CG1 4.31Å; I60-V107 HydrophobicContact CG1-CG2 4.1Å; E95-V107 PolarHBondContact N-O 2.91Å; V96-V107 HydrophobicContact CG1-CB 3.7Å; V96-V107 HydrophobicContact CG1-CG1 4.27Å; V96-V107 HydrophobicContact CG1-CG2 3.79Å; V96-V107 PolarHBondContact O-N 3.26Å; Y98-V107 HydrophobicContact CD2-CG2 3.86Å; Y98-V107 HydrophobicContact CE2-CG2 3.86Å
108T97.1Very high94.8Very high22 Ų2235.6 Ų35.614%0.13519%0.185CC..EExtended strand (participates in β ladder)trans-118161.9-178630000111.3A59 I92 H93 L94A59-T108 PolarHBondContact N-O 3.12Å; A59-T108 PolarHBondContact O-N 2.91Å; I92-T108 HydrophobicContact CG1-CG2 4.41Å; H93-T108 CarbonylContact O-C 3.58Å; H93-T108 WeakPolarHBondContact O-CA 3.33Å; H93-T108 VanDerWaalsContact O-CB 3.23Å; H93-T108 WeakPolarHBondContact O-CB 3.48Å; L94-T108 HydrophobicContact CB-CG2 4.46Å; L94-T108 HydrophobicContact CD1-CG2 3.86Å
109E95.9Very high94.7Very high24 Ų2435.5 Ų35.511%0.11218%0.184CC..EExtended strand (participates in β ladder)trans-53.7144.8173.971.3-176.112200112I92 H93 C111 K163 K176I92-E109 HydrophobicContact CD1-CG 3.52Å; I92-E109 HydrophobicContact CG1-CG 4.32Å; H93-E109 HydrophobicContact CB-CB 4.44Å; H93-E109 HydrophobicContact CB-CG 4.3Å; H93-E109 WeakPolarHBondContact CB-OE1 3.38Å; H93-E109 PolarHBondContact N-OE1 3.45Å; H93-E109 PolarHBondContact O-N 3.1Å; E109-C111 PolarHBondContact O-N 3.34Å; E109-K163 WeakPolarHBondContact OE2-CE 3.5Å; E109-K176 VanDerWaalsContact CD-CE 3.46Å; E109-K176 VanDerWaalsContact CD-NZ 3.3Å; E109-K176 WeakPolarHBondContact OE1-CD 3.46Å; E109-K176 WeakPolarHBondContact OE1-CE 3.47Å; E109-K176 IonicContact OE1-NZ 3.72Å; E109-K176 PolarHBondContact OE1-NZ 3.27Å; E109-K176 WeakPolarHBondContact OE2-CE 3.43Å; E109-K176 IonicContact OE2-NZ 2.73Å; E109-K176 PolarHBondContact OE2-NZ 3.2Å
110L96.3Very high94.7Very high21 Ų2134.3 Ų34.311%0.1118%0.178CC..  trans-85.4107-176.417861.2000111.4L38 E48 K57 A59 R112L38-L110 HydrophobicContact CD1-CD1 3.53Å; E48-L110 HydrophobicContact CG-CD1 4.38Å; E48-L110 HydrophobicContact CG-CD2 3.88Å; K57-L110 HydrophobicContact CB-CD2 3.73Å; K57-L110 HydrophobicContact CD-CD2 4.26Å; A59-L110 HydrophobicContact CB-CD1 4.24Å; L110-R112 HydrophobicContact CG-CG 4.42Å
111C95.4Very high94.8Very high14 Ų1440.7 Ų40.710%0.09521%0.207CC..  trans-83116.6170.1-65.50000111.4I92 E109 L161 V162I92-C111 VanDerWaalsContact CD1-SG 3.55Å; E109-C111 PolarHBondContact O-N 3.34Å; C111-L161 HydrophobicContact CB-CB 3.72Å; C111-L161 HydrophobicContact CB-CD1 4.09Å; C111-V162 CarbonylContact C-O 3.59Å; C111-V162 WeakPolarHBondContact CB-O 3.33Å
112R92.8Very high94.7Very high150 Ų15042.7 Ų42.757%0.56621%0.21SC*.SBendtrans-86.8-36.2-172.7-63.8-177.6178.7179.21.6113.9L110 G114 V162 K163L110-R112 HydrophobicContact CG-CG 4.42Å; R112-G114 PolarHBondContact O-N 3.3Å; R112-G114 VanDerWaalsContact O-N 3.13Å; R112-V162 PolarHBondContact N-O 2.89Å; R112-K163 WeakPolarHBondContact CB-O 3.37Å; R112-K163 PolarHBondContact N-O 3.3Å
113G91.9Very high94.8Very high7 Ų743.1 Ų43.17%0.07221%0.206CC..SBendtrans-70.4-0.5179.500000115Q119 V162 N164G113-Q119 PolarHBondContact O-NE2 2.91Å; G113-V162 WeakPolarHBondContact CA-O 3.28Å; G113-V162 PolarHBondContact N-O 3.23Å; G113-N164 WeakPolarHBondContact CA-O 3.48Å; G113-N164 PolarHBondContact N-O 2.98Å
114G93.1Very high94.7Very high22 Ų2247.3 Ų47.323%0.22722%0.224CC..EExtended strand (participates in β ladder)trans74-146178.500000112.4R112 L161 V162R112-G114 PolarHBondContact O-N 3.3Å; R112-G114 VanDerWaalsContact O-N 3.13Å; G114-L161 CarbonylContact O-C 3.58Å; G114-L161 VanDerWaalsContact O-CA 3.26Å; G114-L161 WeakPolarHBondContact O-CA 3.36Å; G114-V162 PolarHBondContact O-N 3.31Å
115T94.8Very high94.6Very high28 Ų2851.9 Ų51.917%0.17224%0.243CC..EExtended strand (participates in β ladder)trans-88.4149177610000111.9K117 Q118 Q119 E158 I160 L161T115-K117 PolarHBondContact O-N 3.17Å; T115-Q118 WeakPolarHBondContact O-CB 3.26Å; T115-Q118 PolarHBondContact O-N 3.11Å; T115-Q118 VanDerWaalsContact OG1-CG 3.31Å; T115-Q118 WeakPolarHBondContact OG1-CG 3.36Å; T115-Q118 PolarHBondContact OG1-N 2.69Å; T115-Q118 PolarHBondContact OG1-OE1 3.18Å; T115-Q119 PolarHBondContact O-N 2.81Å; T115-Q119 VanDerWaalsContact O-N 3.16Å; T115-E158 WeakPolarHBondContact CG2-O 3.44Å; T115-I160 WeakPolarHBondContact CA-O 3.37Å; T115-L161 HydrophobicContact CG2-CD2 3.79Å
116L96Very high94.6Very high0 Ų052 Ų520%024%0.244CC..Hα-helixtrans-58.3-29.3171.4-175.260.3000111.7Q119 L120 F126 I134 L157 I160 L231L116-Q119 PolarHBondContact O-N 3.14Å; L116-L120 PolarHBondContact O-N 2.63Å; L116-F126 HydrophobicContact CD1-CE1 4.42Å; L116-F126 HydrophobicContact CD1-CE2 4.36Å; L116-F126 HydrophobicContact CD1-CZ 3.77Å; L116-I134 HydrophobicContact CD1-CD1 4.11Å; L116-I134 HydrophobicContact CD2-CG2 3.89Å; L116-L157 HydrophobicContact CD2-CD2 3.84Å; L116-L157 HydrophobicContact CG-CD2 3.95Å; L116-I160 HydrophobicContact CB-CB 4.04Å; L116-I160 HydrophobicContact CB-CG2 4.07Å; L116-I160 HydrophobicContact CD2-CB 4.15Å; L116-I160 HydrophobicContact CD2-CD1 4.09Å; L116-I160 HydrophobicContact CD2-CG2 3.92Å; L116-I160 PolarHBondContact N-O 3.46Å; L116-L231 HydrophobicContact CD1-CD2 4.06Å; L116-L231 HydrophobicContact CD2-CD1 4.47Å; L116-L231 HydrophobicContact CD2-CD2 4.16Å; L116-L231 HydrophobicContact CG-CD2 4.11Å
117K95.6Very high94.6Very high98 Ų9855.6 Ų55.643%0.42627%0.266SS..Hα-helixtrans-60.7-41.3169.5-176.4173.2-177.4175.90113.5T115 H121 L157 E158T115-K117 PolarHBondContact O-N 3.17Å; K117-H121 WeakPolarHBondContact O-CB 3.31Å; K117-H121 PolarHBondContact O-N 3.22Å; K117-L157 HydrophobicContact CB-CB 3.74Å; K117-L157 WeakPolarHBondContact CB-O 3.37Å; K117-L157 HydrophobicContact CG-CB 4.47Å; K117-L157 PolarHBondContact N-O 3.07Å; K117-E158 HydrophobicContact CD-CG 3.64Å; K117-E158 WeakPolarHBondContact CD-OE1 3.32Å; K117-E158 WeakPolarHBondContact CE-OE1 3.48Å; K117-E158 IonicContact NZ-OE1 3.51Å; K117-E158 PolarHBondContact NZ-OE1 2.93Å
118Q94.6Very high94.5Very high101 Ų10157.2 Ų57.247%0.47227%0.273SS..Hα-helixtrans-67.5-40.4176.3-74.7159.6-63.200110.6T115 H121 Q122T115-Q118 WeakPolarHBondContact O-CB 3.26Å; T115-Q118 PolarHBondContact O-N 3.11Å; T115-Q118 VanDerWaalsContact OG1-CG 3.31Å; T115-Q118 WeakPolarHBondContact OG1-CG 3.36Å; T115-Q118 PolarHBondContact OG1-N 2.69Å; T115-Q118 PolarHBondContact OG1-OE1 3.18Å; Q118-H121 PolarHBondContact O-N 3.43Å; Q118-Q122 VanDerWaalsContact O-CG 3.3Å; Q118-Q122 WeakPolarHBondContact O-CG 3.38Å; Q118-Q122 PolarHBondContact O-N 3.12Å
119Q94.8Very high94.3Very high11 Ų1159.3 Ų59.35%0.05128%0.284CS..Hα-helixtrans-61.7-47.2174.5-63.9-60.3-27.500111.9G113 T115 L116 H121 Q122 K123 F126 V162 F173G113-Q119 PolarHBondContact O-NE2 2.91Å; T115-Q119 PolarHBondContact O-N 2.81Å; T115-Q119 VanDerWaalsContact O-N 3.16Å; L116-Q119 PolarHBondContact O-N 3.14Å; Q119-H121 VanDerWaalsContact C-N 3.33Å; Q119-H121 PolarHBondContact O-N 2.62Å; Q119-Q122 PolarHBondContact O-N 3.43Å; Q119-Q122 VanDerWaalsContact O-N 3.15Å; Q119-K123 PolarHBondContact O-N 2.83Å; Q119-F126 HydrophobicContact CB-CZ 3.88Å; Q119-V162 HydrophobicContact CG-CG2 4.09Å; Q119-F173 HydrophobicContact CB-CE1 4.44Å; Q119-F173 HydrophobicContact CG-CE1 4.23Å
120L95.6Very high94.3Very high16 Ų1659.6 Ų59.68%0.08429%0.285CS..Hα-helixtrans-60.5-40.9173.5-174.862.1000112L116 Q122 K124 F126 L157 M230L116-L120 PolarHBondContact O-N 2.63Å; L120-Q122 VanDerWaalsContact C-N 3.26Å; L120-Q122 PolarHBondContact O-N 2.68Å; L120-K124 WeakPolarHBondContact CD1-O 3.44Å; L120-K124 WeakPolarHBondContact O-CA 3.37Å; L120-K124 PolarHBondContact O-N 3.37Å; L120-F126 HydrophobicContact CB-CE2 3.93Å; L120-F126 HydrophobicContact CD1-CD2 3.8Å; L120-F126 HydrophobicContact CD1-CE2 3.81Å; L120-F126 HydrophobicContact CG-CE2 4.49Å; L120-L157 HydrophobicContact CD2-CD1 3.53Å; L120-M230 HydrophobicContact CD2-CB 4.16Å; L120-M230 WeakPolarHBondContact CD2-O 3.48Å
121H95.1Very high94.3Very high137 Ų13758.6 Ų58.663%0.63428%0.28SS*.Hα-helixtrans-65.2-30.6177.7-170.683.2000112.7K117 Q118 Q119 K124K117-H121 WeakPolarHBondContact O-CB 3.31Å; K117-H121 PolarHBondContact O-N 3.22Å; Q118-H121 PolarHBondContact O-N 3.43Å; Q119-H121 VanDerWaalsContact C-N 3.33Å; Q119-H121 PolarHBondContact O-N 2.62Å; H121-K124 WeakPolarHBondContact O-CE 3.32Å; H121-K124 PolarHBondContact O-NZ 3.16Å
122Q92.7Very high94.4Very high123 Ų12360.6 Ų60.658%0.57529%0.285SS*.Hα-helixtrans-76.3-57.1175.4-69.4169.827.200111Q118 Q119 L120 K124Q118-Q122 VanDerWaalsContact O-CG 3.3Å; Q118-Q122 WeakPolarHBondContact O-CG 3.38Å; Q118-Q122 PolarHBondContact O-N 3.12Å; Q119-Q122 PolarHBondContact O-N 3.43Å; Q119-Q122 VanDerWaalsContact O-N 3.15Å; L120-Q122 VanDerWaalsContact C-N 3.26Å; L120-Q122 PolarHBondContact O-N 2.68Å; Q122-K124 VanDerWaalsContact C-N 3.33Å; Q122-K124 PolarHBondContact O-N 2.9Å
123K92.3Very high94.5Very high82 Ų8257.4 Ų57.436%0.35728%0.276SS..Hα-helixtrans-71.9-19.4-177-66.3179.562.799.30115Q119 F125 F126 E130 F173Q119-K123 PolarHBondContact O-N 2.83Å; K123-F125 WeakPolarHBondContact CB-O 3.19Å; K123-F125 PolarHBondContact O-N 3.36Å; K123-F126 HydrophobicContact CD-CD1 4.02Å; K123-F126 HydrophobicContact CD-CE1 3.78Å; K123-F126 HydrophobicContact CD-CZ 4.09Å; K123-E130 WeakPolarHBondContact CE-OE1 3.27Å; K123-E130 IonicContact NZ-OE1 2.66Å; K123-E130 PolarHBondContact NZ-OE1 3.06Å; K123-E130 IonicContact NZ-OE2 2.58Å; K123-E130 PolarHBondContact NZ-OE2 3.25Å; K123-F173 HydrophobicContact CD-CZ 4.05Å
124K93.1Very high94.8Very high121 Ų12157 Ų5753%0.52627%0.272SS..SBendtrans68.2-41.2-170.1-47.3-53.6175.3-167.50114.9L120 H121 Q122 G234L120-K124 WeakPolarHBondContact CD1-O 3.44Å; L120-K124 WeakPolarHBondContact O-CA 3.37Å; L120-K124 PolarHBondContact O-N 3.37Å; H121-K124 WeakPolarHBondContact O-CE 3.32Å; H121-K124 PolarHBondContact O-NZ 3.16Å; Q122-K124 VanDerWaalsContact C-N 3.33Å; Q122-K124 PolarHBondContact O-N 2.9Å; K124-G234 VanDerWaalsContact O-CA 3.28Å; K124-G234 WeakPolarHBondContact O-CA 3.18Å
125F91.9Very high95Very high112 Ų11256 Ų5649%0.49126%0.261SS..SBendtrans-149.4165.1170.457-87.6000109.2K123 L231K123-F125 WeakPolarHBondContact CB-O 3.19Å; K123-F125 PolarHBondContact O-N 3.36Å; F125-L231 CarbonylContact C-O 3.51Å; F125-L231 WeakPolarHBondContact CA-O 3.4Å
126F95.1Very high95.2Very high3 Ų359.7 Ų59.71%0.01327%0.273CS..  trans-105.4156.1172.3-71.4-104.4000109.5L116 Q119 L120 K123 E130 I134 F173 L231L116-F126 HydrophobicContact CD1-CE1 4.42Å; L116-F126 HydrophobicContact CD1-CE2 4.36Å; L116-F126 HydrophobicContact CD1-CZ 3.77Å; Q119-F126 HydrophobicContact CB-CZ 3.88Å; L120-F126 HydrophobicContact CB-CE2 3.93Å; L120-F126 HydrophobicContact CD1-CD2 3.8Å; L120-F126 HydrophobicContact CD1-CE2 3.81Å; L120-F126 HydrophobicContact CG-CE2 4.49Å; K123-F126 HydrophobicContact CD-CD1 4.02Å; K123-F126 HydrophobicContact CD-CE1 3.78Å; K123-F126 HydrophobicContact CD-CZ 4.09Å; F126-E130 HydrophobicContact CB-CB 4.18Å; F126-E130 HydrophobicContact CD1-CB 3.93Å; F126-I134 HydrophobicContact CD1-CD1 3.85Å; F126-I134 HydrophobicContact CE1-CD1 3.74Å; F126-I134 HydrophobicContact CZ-CD1 4.38Å; F126-F173 HydrophobicContact CD1-CE2 4.06Å; F126-F173 HydrophobicContact CD1-CZ 4.35Å; F126-F173 HydrophobicContact CE1-CD1 4.4Å; F126-F173 HydrophobicContact CE1-CD2 4.11Å; F126-F173 AromaticContact CE1-CE1 4Å; F126-F173 HydrophobicContact CE1-CE1 4Å; F126-F173 AromaticContact CE1-CE2 3.68Å; F126-F173 HydrophobicContact CE1-CE2 3.68Å; F126-F173 HydrophobicContact CE1-CG 4.48Å; F126-F173 AromaticContact CE1-CZ 3.64Å; F126-F173 HydrophobicContact CE1-CZ 3.64Å; F126-L231 HydrophobicContact CD2-CB 4.19Å; F126-L231 HydrophobicContact CD2-CD2 3.42Å; F126-L231 VanDerWaalsContact CD2-CD2 3.42Å; F126-L231 HydrophobicContact CD2-CG 4.4Å; F126-L231 HydrophobicContact CE2-CD2 3.36Å; F126-L231 HydrophobicContact CG-CD2 4.21Å; F126-L231 HydrophobicContact CZ-CD2 4.09Å; F126-L231 PolarHBondContact N-O 2.87Å
127T95.1Very high95.2Very high76 Ų7660 Ų6047%0.46628%0.275SS..  trans-64.7161.1165.561.10000110.4D129 E130 T131T127-D129 PolarHBondContact O-N 2.99Å; T127-E130 WeakPolarHBondContact CB-OE2 3.44Å; T127-E130 WeakPolarHBondContact CG2-OE2 3.27Å; T127-E130 PolarHBondContact N-OE2 2.67Å; T127-E130 PolarHBondContact O-N 3.26Å; T127-E130 WeakPolarHBondContact OG1-CB 3.42Å; T127-E130 VanDerWaalsContact OG1-CD 3.31Å; T127-E130 WeakPolarHBondContact OG1-CG 3.33Å; T127-E130 PolarHBondContact OG1-N 3.25Å; T127-E130 PolarHBondContact OG1-OE2 2.56Å; T127-T131 WeakPolarHBondContact O-CB 3.15Å; T127-T131 PolarHBondContact O-N 3.37Å; T127-T131 PolarHBondContact O-OG1 3.39Å
128E95.4Very high95.3Very high33 Ų3355.4 Ų55.415%0.15426%0.255CS..Hα-helixtrans-62.9-31.7177.7-167.2177.8140.300112.3R132 L232 V265 S266 W295E128-R132 WeakPolarHBondContact O-CB 3.27Å; E128-R132 PolarHBondContact O-N 2.88Å; E128-R132 IonicContact OE1-NH2 3.67Å; E128-L232 HydrophobicContact CB-CD2 4.21Å; E128-L232 HydrophobicContact CG-CD2 4.24Å; E128-V265 VanDerWaalsContact OE2-CA 3.32Å; E128-V265 WeakPolarHBondContact OE2-CA 3.27Å; E128-S266 WeakPolarHBondContact OE1-CB 3.4Å; E128-S266 PolarHBondContact OE1-OG 3.44Å; E128-S266 PolarHBondContact OE2-N 3.25Å; E128-W295 HydrophobicContact CG-CZ2 3.77Å; E128-W295 PolarHBondContact OE1-NE1 2.89Å
129D93.9Very high95.5Very high66 Ų6650.6 Ų50.635%0.35323%0.233SC..Hα-helixtrans-75.9-42.1178.4-172.266000113.6T127 T131 R132 K133T127-D129 PolarHBondContact O-N 2.99Å; D129-T131 VanDerWaalsContact C-N 3.25Å; D129-T131 PolarHBondContact O-N 3.22Å; D129-R132 WeakPolarHBondContact O-CB 3.46Å; D129-R132 PolarHBondContact O-N 3.29Å; D129-R132 IonicContact OD1-NH1 3.84Å; D129-R132 PolarHBondContact OD1-NH1 3.17Å; D129-K133 WeakPolarHBondContact O-CG 3.5Å; D129-K133 PolarHBondContact O-N 3.38Å; D129-K133 WeakPolarHBondContact OD2-CE 3.43Å; D129-K133 IonicContact OD2-NZ 3.41Å; D129-K133 PolarHBondContact OD2-NZ 2.82Å
130E94.8Very high95.7Very high31 Ų3151.9 Ų51.915%0.14524%0.24CC..Hα-helixtrans-59-41.8169.4-69.2167.1117.500110.8K123 F126 T127 K133 I134 F173K123-E130 WeakPolarHBondContact CE-OE1 3.27Å; K123-E130 IonicContact NZ-OE1 2.66Å; K123-E130 PolarHBondContact NZ-OE1 3.06Å; K123-E130 IonicContact NZ-OE2 2.58Å; K123-E130 PolarHBondContact NZ-OE2 3.25Å; F126-E130 HydrophobicContact CB-CB 4.18Å; F126-E130 HydrophobicContact CD1-CB 3.93Å; T127-E130 WeakPolarHBondContact CB-OE2 3.44Å; T127-E130 WeakPolarHBondContact CG2-OE2 3.27Å; T127-E130 PolarHBondContact N-OE2 2.67Å; T127-E130 PolarHBondContact O-N 3.26Å; T127-E130 WeakPolarHBondContact OG1-CB 3.42Å; T127-E130 VanDerWaalsContact OG1-CD 3.31Å; T127-E130 WeakPolarHBondContact OG1-CG 3.33Å; T127-E130 PolarHBondContact OG1-N 3.25Å; T127-E130 PolarHBondContact OG1-OE2 2.56Å; E130-K133 PolarHBondContact O-N 2.95Å; E130-I134 WeakPolarHBondContact O-CD1 3.13Å; E130-I134 VanDerWaalsContact O-CG1 3.26Å; E130-I134 WeakPolarHBondContact O-CG1 3.45Å; E130-I134 PolarHBondContact O-N 3.12Å; E130-F173 HydrophobicContact CG-CE2 4.28Å; E130-F173 WeakPolarHBondContact OE1-CE2 3.49Å
131T97Very high95.8Very high0 Ų051.1 Ų51.10%024%0.236CC..Hα-helixtrans-62.9-46.1176.2-540000111T127 D129 K133 I134 I135 M228 L231 L232 W295T127-T131 WeakPolarHBondContact O-CB 3.15Å; T127-T131 PolarHBondContact O-N 3.37Å; T127-T131 PolarHBondContact O-OG1 3.39Å; D129-T131 VanDerWaalsContact C-N 3.25Å; D129-T131 PolarHBondContact O-N 3.22Å; T131-K133 VanDerWaalsContact C-N 3.34Å; T131-K133 PolarHBondContact O-N 3.06Å; T131-I134 PolarHBondContact O-N 3.32Å; T131-I135 HydrophobicContact CG2-CG1 3.97Å; T131-I135 WeakPolarHBondContact O-CB 3.31Å; T131-I135 VanDerWaalsContact O-CG1 3.26Å; T131-I135 WeakPolarHBondContact O-CG1 3.42Å; T131-I135 PolarHBondContact O-N 2.69Å; T131-M228 HydrophobicContact CG2-CG 3.98Å; T131-L231 HydrophobicContact CG2-CB 3.87Å; T131-L231 HydrophobicContact CG2-CD1 4.06Å; T131-L232 HydrophobicContact CG2-CD2 4.13Å; T131-L232 HydrophobicContact CG2-CG 4.01Å; T131-W295 HydrophobicContact CG2-CH2 4.15Å
132R96.6Very high95.9Very high55 Ų5544.6 Ų44.621%0.20821%0.206CC..Hα-helixtrans-54-49.1176.5-178.7-173-64.3110.39.6111.7E128 D129 I135 Y136 W295 I296E128-R132 WeakPolarHBondContact O-CB 3.27Å; E128-R132 PolarHBondContact O-N 2.88Å; E128-R132 IonicContact OE1-NH2 3.67Å; D129-R132 WeakPolarHBondContact O-CB 3.46Å; D129-R132 PolarHBondContact O-N 3.29Å; D129-R132 IonicContact OD1-NH1 3.84Å; D129-R132 PolarHBondContact OD1-NH1 3.17Å; R132-I135 PolarHBondContact O-N 3.21Å; R132-Y136 WeakPolarHBondContact O-CB 3.38Å; R132-Y136 PolarHBondContact O-N 3.5Å; R132-W295 VanDerWaalsContact CA-CH2 3.42Å; R132-W295 HydrophobicContact CB-CH2 3.86Å; R132-W295 HydrophobicContact CB-CZ2 3.97Å; R132-W295 HydrophobicContact CB-CZ3 4.35Å; R132-W295 WeakPolarHBondContact CD-O 3.46Å; R132-W295 PolarHBondContact NE-O 2.81Å; R132-I296 HydrophobicContact CG-CD1 4.21Å
133K95.6Very high96.1Very high83 Ų8339.2 Ų39.236%0.36118%0.181SC..Hα-helixtrans-59.2-49.2176.6-71.1160.8173.11630111.8D129 E130 T131 I135 Y136 C137D129-K133 WeakPolarHBondContact O-CG 3.5Å; D129-K133 PolarHBondContact O-N 3.38Å; D129-K133 WeakPolarHBondContact OD2-CE 3.43Å; D129-K133 IonicContact OD2-NZ 3.41Å; D129-K133 PolarHBondContact OD2-NZ 2.82Å; E130-K133 PolarHBondContact O-N 2.95Å; T131-K133 VanDerWaalsContact C-N 3.34Å; T131-K133 PolarHBondContact O-N 3.06Å; K133-I135 VanDerWaalsContact C-N 3.35Å; K133-I135 PolarHBondContact O-N 3.24Å; K133-Y136 PolarHBondContact O-N 3.46Å; K133-C137 PolarHBondContact O-N 3.29Å; K133-C137 VanDerWaalsContact O-N 3.11Å; K133-C137 PolarHBondContact O-SG 3.43Å
134I97.4Very high96.4Very high0 Ų036.9 Ų36.90%017%0.171CC..Hα-helixtrans-61.9-41.7179.2-69162000111.5L116 F126 E130 T131 L138 F173 I175 L231L116-I134 HydrophobicContact CD1-CD1 4.11Å; L116-I134 HydrophobicContact CD2-CG2 3.89Å; F126-I134 HydrophobicContact CD1-CD1 3.85Å; F126-I134 HydrophobicContact CE1-CD1 3.74Å; F126-I134 HydrophobicContact CZ-CD1 4.38Å; E130-I134 WeakPolarHBondContact O-CD1 3.13Å; E130-I134 VanDerWaalsContact O-CG1 3.26Å; E130-I134 WeakPolarHBondContact O-CG1 3.45Å; E130-I134 PolarHBondContact O-N 3.12Å; T131-I134 PolarHBondContact O-N 3.32Å; I134-L138 VanDerWaalsContact O-CB 3.32Å; I134-L138 WeakPolarHBondContact O-CB 3.13Å; I134-L138 PolarHBondContact O-N 3.19Å; I134-F173 HydrophobicContact CD1-CB 4.31Å; I134-F173 HydrophobicContact CD1-CD2 4.1Å; I134-F173 HydrophobicContact CD1-CG 4.25Å; I134-F173 HydrophobicContact CG1-CB 4.11Å; I134-I175 HydrophobicContact CG1-CG2 4.42Å; I134-I175 HydrophobicContact CG2-CD1 4.37Å; I134-I175 HydrophobicContact CG2-CG2 4.44Å; I134-I175 WeakPolarHBondContact O-CD1 3.37Å; I134-L231 HydrophobicContact CB-CD1 4.34Å; I134-L231 HydrophobicContact CG2-CD1 3.74Å
135I98.1Very high96.5Very high0 Ų031.1 Ų31.10%015%0.145CC..Hα-helixtrans-73.5-34.6-179.2-63.8-61.2000111.9T131 R132 K133 L138 A139 I224 I227 M228 L231 L290 W295 I296T131-I135 HydrophobicContact CG2-CG1 3.97Å; T131-I135 WeakPolarHBondContact O-CB 3.31Å; T131-I135 VanDerWaalsContact O-CG1 3.26Å; T131-I135 WeakPolarHBondContact O-CG1 3.42Å; T131-I135 PolarHBondContact O-N 2.69Å; R132-I135 PolarHBondContact O-N 3.21Å; K133-I135 VanDerWaalsContact C-N 3.35Å; K133-I135 PolarHBondContact O-N 3.24Å; I135-L138 HydrophobicContact CD1-CD2 4.41Å; I135-L138 PolarHBondContact O-N 3.22Å; I135-A139 VanDerWaalsContact O-CB 3.23Å; I135-A139 WeakPolarHBondContact O-CB 3.34Å; I135-A139 PolarHBondContact O-N 3.38Å; I135-I224 HydrophobicContact CD1-CG2 3.97Å; I135-I224 HydrophobicContact CG2-CG2 3.86Å; I135-I227 HydrophobicContact CD1-CG2 4.16Å; I135-M228 HydrophobicContact CD1-CB 3.69Å; I135-M228 HydrophobicContact CD1-CG 4.41Å; I135-M228 HydrophobicContact CG1-CB 3.94Å; I135-M228 HydrophobicContact CG1-CG 4.1Å; I135-L231 HydrophobicContact CD1-CD1 4.29Å; I135-L290 HydrophobicContact CG2-CD1 4.5Å; I135-L290 HydrophobicContact CG2-CD2 4.01Å; I135-W295 HydrophobicContact CB-CZ3 4.28Å; I135-W295 HydrophobicContact CG2-CZ3 4.27Å; I135-I296 HydrophobicContact CB-CD1 4.34Å; I135-I296 HydrophobicContact CG2-CD1 4.06Å
136Y97.7Very high96.5Very high105 Ų10527.2 Ų27.241%0.41213%0.129SC..Hα-helixtrans-57.4-55.4169.2171.5-89.1000111R132 K133 L138 A139 D140 L291 I296R132-Y136 WeakPolarHBondContact O-CB 3.38Å; R132-Y136 PolarHBondContact O-N 3.5Å; K133-Y136 PolarHBondContact O-N 3.46Å; Y136-L138 PolarHBondContact O-N 2.93Å; Y136-A139 PolarHBondContact O-N 2.81Å; Y136-A139 VanDerWaalsContact O-N 3.16Å; Y136-D140 WeakPolarHBondContact O-CB 3.49Å; Y136-D140 PolarHBondContact O-N 2.73Å; Y136-L291 HydrophobicContact CD2-CD2 3.64Å; Y136-L291 HydrophobicContact CE2-CD2 3.82Å; Y136-L291 HydrophobicContact CG-CD2 4.32Å; Y136-I296 HydrophobicContact CD2-CG2 3.68Å; Y136-I296 HydrophobicContact CG-CG2 4.43Å
137C97.6Very high96.5Very high8 Ų833.9 Ų33.95%0.05416%0.158CC..Hα-helixtrans-59.2-36.5-179.2-62.90000112.3H90 K133 A141 I175H90-C137 HydrophobicContact CB-CB 4.4Å; H90-C137 WeakPolarHBondContact CB-O 3.38Å; H90-C137 PolarHBondContact CE1-SG 3.33Å; K133-C137 PolarHBondContact O-N 3.29Å; K133-C137 VanDerWaalsContact O-N 3.11Å; K133-C137 PolarHBondContact O-SG 3.43Å; C137-A141 PolarHBondContact O-N 2.88Å; C137-A141 VanDerWaalsContact O-N 3.14Å; C137-I175 HydrophobicContact CB-CD1 3.76Å; C137-I175 HydrophobicContact CB-CG1 3.49Å; C137-I175 VanDerWaalsContact CB-CG1 3.49Å
138L98.1Very high96.3Very high0 Ų034.1 Ų34.10%015%0.15CC..Hα-helixtrans-73.4-40.4178.4-176.660.7000112I134 I135 Y136 V142 L155 I160 I175 V177 I224 I227I134-L138 VanDerWaalsContact O-CB 3.32Å; I134-L138 WeakPolarHBondContact O-CB 3.13Å; I134-L138 PolarHBondContact O-N 3.19Å; I135-L138 HydrophobicContact CD1-CD2 4.41Å; I135-L138 PolarHBondContact O-N 3.22Å; Y136-L138 PolarHBondContact O-N 2.93Å; L138-V142 WeakPolarHBondContact O-CB 3.32Å; L138-V142 VanDerWaalsContact O-CG2 3.26Å; L138-V142 WeakPolarHBondContact O-CG2 3.49Å; L138-V142 PolarHBondContact O-N 2.92Å; L138-L155 HydrophobicContact CD1-CD2 4.24Å; L138-I160 HydrophobicContact CD1-CD1 3.79Å; L138-I160 HydrophobicContact CD1-CG1 4.37Å; L138-I160 HydrophobicContact CD2-CD1 3.79Å; L138-I160 HydrophobicContact CG-CD1 4.41Å; L138-I175 HydrophobicContact CB-CD1 3.92Å; L138-V177 HydrophobicContact CD1-CG2 3.63Å; L138-I224 HydrophobicContact CD2-CB 4.42Å; L138-I224 HydrophobicContact CD2-CG1 3.89Å; L138-I224 HydrophobicContact CD2-CG2 4.34Å; L138-I224 HydrophobicContact CG-CD1 4.36Å; L138-I224 HydrophobicContact CG-CG1 4Å; L138-I227 HydrophobicContact CD2-CD1 3.97Å; L138-I227 HydrophobicContact CD2-CG2 4.25Å
139A98.1Very high96Very high0 Ų036.3 Ų36.30%016%0.163CC..Hα-helixtrans-63.9-43.4175.500000111.3I135 Y136 V142 V143 L290 L291I135-A139 VanDerWaalsContact O-CB 3.23Å; I135-A139 WeakPolarHBondContact O-CB 3.34Å; I135-A139 PolarHBondContact O-N 3.38Å; Y136-A139 PolarHBondContact O-N 2.81Å; Y136-A139 VanDerWaalsContact O-N 3.16Å; A139-V142 CarbonylContact O-C 3.55Å; A139-V142 PolarHBondContact O-N 3.35Å; A139-V142 VanDerWaalsContact O-N 3.15Å; A139-V143 WeakPolarHBondContact O-CG2 3.33Å; A139-V143 PolarHBondContact O-N 3.1Å; A139-L290 HydrophobicContact CB-CD2 3.66Å; A139-L290 HydrophobicContact CB-CG 4.08Å; A139-L291 HydrophobicContact CB-CD2 3.71Å; A139-L291 HydrophobicContact CB-CG 4.07Å
140D98.3Very high95.8Very high39 Ų3933.2 Ų33.221%0.20915%0.146CC..Hα-helixtrans-62.7-45.6177.5-173.546.1000112H88 H90 Y136 V142 V143 Y144 L291H88-D140 IonicContact CE1-OD2 2.93Å; H88-D140 PolarHBondContact CE1-OD2 2.74Å; H88-D140 IonicContact NE2-OD2 3.82Å; H88-D140 PolarHBondContact NE2-OD2 3.48Å; H90-D140 IonicContact CD2-OD2 2.65Å; Y136-D140 WeakPolarHBondContact O-CB 3.49Å; Y136-D140 PolarHBondContact O-N 2.73Å; D140-V142 VanDerWaalsContact C-N 3.28Å; D140-V142 PolarHBondContact O-N 3.06Å; D140-V143 PolarHBondContact O-N 3.49Å; D140-Y144 PolarHBondContact O-N 3.33Å; D140-L291 HydrophobicContact CB-CD1 4.43Å; D140-L291 HydrophobicContact CB-CD2 4.22Å
141A98Very high95.6Very high0 Ų031.8 Ų31.80%014%0.139CC..Hα-helixtrans-56.7-40.617100000112.9H90 I91 C137 Y144 L145 V177H90-A141 HydrophobicContact CB-CB 4Å; I91-A141 HydrophobicContact CG1-CB 4.04Å; C137-A141 PolarHBondContact O-N 2.88Å; C137-A141 VanDerWaalsContact O-N 3.14Å; A141-Y144 PolarHBondContact O-N 3.06Å; A141-L145 VanDerWaalsContact O-CG 3.29Å; A141-L145 WeakPolarHBondContact O-CG 3.3Å; A141-L145 PolarHBondContact O-N 2.86Å; A141-L145 VanDerWaalsContact O-N 3.14Å; A141-V177 HydrophobicContact CB-CG2 3.92Å
142V97.4Very high95.4Very high0 Ų031.8 Ų31.80%014%0.139CC..Hα-helixtrans-73.8-37-179.8171.30000111.6L138 A139 D140 Y144 L145 H146 L155 D220 I224 A287L138-V142 WeakPolarHBondContact O-CB 3.32Å; L138-V142 VanDerWaalsContact O-CG2 3.26Å; L138-V142 WeakPolarHBondContact O-CG2 3.49Å; L138-V142 PolarHBondContact O-N 2.92Å; A139-V142 CarbonylContact O-C 3.55Å; A139-V142 PolarHBondContact O-N 3.35Å; A139-V142 VanDerWaalsContact O-N 3.15Å; D140-V142 VanDerWaalsContact C-N 3.28Å; D140-V142 PolarHBondContact O-N 3.06Å; V142-Y144 VanDerWaalsContact C-N 3.35Å; V142-Y144 PolarHBondContact O-N 2.93Å; V142-L145 PolarHBondContact O-N 3.04Å; V142-H146 WeakPolarHBondContact CG1-CE1 3.46Å; V142-H146 WeakPolarHBondContact CG1-NE2 3.47Å; V142-H146 WeakPolarHBondContact O-CB 3.26Å; V142-H146 PolarHBondContact O-CD2 3.39Å; V142-H146 PolarHBondContact O-N 2.91Å; V142-L155 HydrophobicContact CG2-CD1 3.67Å; V142-D220 HydrophobicContact CG1-CB 4.06Å; V142-I224 HydrophobicContact CB-CD1 4.26Å; V142-I224 HydrophobicContact CG1-CD1 4.4Å; V142-I224 HydrophobicContact CG2-CD1 4.13Å; V142-A287 HydrophobicContact CB-CB 4.21Å; V142-A287 HydrophobicContact CG1-CB 3.7Å
143V97.4Very high95Very high10 Ų1031 Ų316%0.06114%0.137CC..Hα-helixtrans-61.2-42.9170.6168.70000111.1A139 D140 L145 H146 K147 A287 H288 L291A139-V143 WeakPolarHBondContact O-CG2 3.33Å; A139-V143 PolarHBondContact O-N 3.1Å; D140-V143 PolarHBondContact O-N 3.49Å; V143-L145 VanDerWaalsContact C-N 3.34Å; V143-L145 PolarHBondContact O-N 3.28Å; V143-H146 PolarHBondContact O-N 3.29Å; V143-K147 HydrophobicContact CG1-CD 3.84Å; V143-K147 HydrophobicContact CG1-CG 4.45Å; V143-K147 WeakPolarHBondContact O-CB 3.36Å; V143-K147 VanDerWaalsContact O-CG 3.29Å; V143-K147 WeakPolarHBondContact O-CG 3.14Å; V143-K147 PolarHBondContact O-N 2.97Å; V143-A287 HydrophobicContact CG2-CB 3.68Å; V143-A287 WeakPolarHBondContact CG2-O 3.45Å; V143-H288 HydrophobicContact CG2-CB 4.22Å; V143-L291 HydrophobicContact CB-CD1 4.43Å; V143-L291 HydrophobicContact CG2-CD1 3.91Å
144Y97.2Very high94.7Very high33 Ų3327.8 Ų27.813%0.12912%0.123CC..Hα-helixtrans-59.6-42.6176.2177-80.2000112.7V86 D87 H88 I91 D140 A141 V142 R148V86-Y144 HydrophobicContact CB-CE1 3.88Å; V86-Y144 HydrophobicContact CG1-CE1 4.03Å; D87-Y144 PolarHBondContact N-OH 3.28Å; D87-Y144 WeakPolarHBondContact O-CE2 3.23Å; D87-Y144 PolarHBondContact O-OH 2.95Å; H88-Y144 HydrophobicContact CB-CD1 4.08Å; H88-Y144 HydrophobicContact CB-CD2 3.95Å; H88-Y144 HydrophobicContact CB-CE1 4.19Å; H88-Y144 HydrophobicContact CB-CE2 3.98Å; H88-Y144 HydrophobicContact CB-CG 3.99Å; H88-Y144 AromaticContact CD2-CD2 3.13Å; H88-Y144 WeakPolarHBondContact CD2-CD2 3.33Å; H88-Y144 AromaticContact CD2-CE2 3.72Å; H88-Y144 AromaticContact CD2-CG 3.59Å; H88-Y144 AromaticContact CG-CD2 3.64Å; H88-Y144 AromaticContact CG-CG 3.69Å; H88-Y144 AromaticContact NE2-CD2 3.85Å; I91-Y144 HydrophobicContact CD1-CD1 3.73Å; I91-Y144 HydrophobicContact CD1-CE1 4.22Å; I91-Y144 HydrophobicContact CD1-CG 4.49Å; D140-Y144 PolarHBondContact O-N 3.33Å; A141-Y144 PolarHBondContact O-N 3.06Å; V142-Y144 VanDerWaalsContact C-N 3.35Å; V142-Y144 PolarHBondContact O-N 2.93Å; Y144-R148 VanDerWaalsContact CD2-NH1 3.34Å; Y144-R148 VanDerWaalsContact CE2-NH1 3.29Å; Y144-R148 PolarHBondContact O-NH1 3.3Å; Y144-R148 PolarHBondContact OH-NE 3.1Å; Y144-R148 PolarHBondContact OH-NH2 2.94Å
145L95.1Very high94.5Very high0 Ų027.8 Ų27.80%012%0.123CC..Hα-helixtrans-70.3-46.6178.7-71.4167.7000111.7V86 I91 A141 V142 V143 K147 R148 D149 I150 F180V86-L145 HydrophobicContact CG1-CD2 3.84Å; I91-L145 HydrophobicContact CD1-CD1 4.21Å; I91-L145 HydrophobicContact CD1-CD2 3.89Å; I91-L145 HydrophobicContact CD1-CG 3.83Å; A141-L145 VanDerWaalsContact O-CG 3.29Å; A141-L145 WeakPolarHBondContact O-CG 3.3Å; A141-L145 PolarHBondContact O-N 2.86Å; A141-L145 VanDerWaalsContact O-N 3.14Å; V142-L145 PolarHBondContact O-N 3.04Å; V143-L145 VanDerWaalsContact C-N 3.34Å; V143-L145 PolarHBondContact O-N 3.28Å; L145-K147 VanDerWaalsContact C-N 3.31Å; L145-K147 PolarHBondContact O-N 3.37Å; L145-R148 CarbonylContact O-C 3.56Å; L145-R148 WeakPolarHBondContact O-CA 3.23Å; L145-R148 PolarHBondContact O-N 3.2Å; L145-D149 PolarHBondContact O-N 3.12Å; L145-I150 CarbonylContact C-O 3.6Å; L145-I150 VanDerWaalsContact C-O 3.25Å; L145-I150 HydrophobicContact CB-CB 4.32Å; L145-I150 HydrophobicContact CD2-CB 4.09Å; L145-I150 HydrophobicContact CD2-CD1 4.31Å; L145-I150 HydrophobicContact CD2-CG2 3.81Å; L145-I150 PolarHBondContact O-N 3.25Å; L145-F180 HydrophobicContact CD1-CE1 3.85Å; L145-F180 HydrophobicContact CD1-CZ 4.35Å; L145-F180 HydrophobicContact CD2-CE1 3.74Å; L145-F180 HydrophobicContact CD2-CZ 4.32Å; L145-F180 HydrophobicContact CG-CE1 4.47Å
146H93.4Very high94.3Very high30 Ų3029.2 Ų29.214%0.13913%0.129CC..Hα-helixtrans-65.3-34.1-178.4-69.8-173.2000111.9V142 V143 R148 D149 I150 H217 D220V142-H146 WeakPolarHBondContact CG1-CE1 3.46Å; V142-H146 WeakPolarHBondContact CG1-NE2 3.47Å; V142-H146 WeakPolarHBondContact O-CB 3.26Å; V142-H146 PolarHBondContact O-CD2 3.39Å; V142-H146 PolarHBondContact O-N 2.91Å; V143-H146 PolarHBondContact O-N 3.29Å; H146-R148 PolarHBondContact O-N 3.43Å; H146-R148 VanDerWaalsContact O-N 3.11Å; H146-D149 PolarHBondContact O-N 3.3Å; H146-D149 VanDerWaalsContact O-N 3.12Å; H146-I150 PolarHBondContact CD2-O 3.44Å; H146-H217 AromaticContact CD2-ND1 3.35Å; H146-H217 PolarHBondContact CD2-ND1 2.65Å; H146-H217 PolarHBondContact CE1-O 2.74Å; H146-H217 AromaticContact CG-ND1 3.21Å; H146-H217 AromaticContact ND1-CG 3.99Å; H146-H217 AromaticContact ND1-ND1 3.66Å; H146-H217 AromaticContact NE2-ND1 3.85Å; H146-D220 IonicContact CD2-OD2 2.84Å; H146-D220 IonicContact CE1-OD2 3.03Å; H146-D220 IonicContact NE2-OD2 2.64Å; H146-D220 PolarHBondContact NE2-OD2 2.8Å
147K93.9Very high94.2Very high143 Ų14324.5 Ų24.562%0.62211%0.111SC*.THydrogen-bonded Turntrans-67.40.4170.2-74.3174.3176.5171.10114.7V143 L145V143-K147 HydrophobicContact CG1-CD 3.84Å; V143-K147 HydrophobicContact CG1-CG 4.45Å; V143-K147 WeakPolarHBondContact O-CB 3.36Å; V143-K147 VanDerWaalsContact O-CG 3.29Å; V143-K147 WeakPolarHBondContact O-CG 3.14Å; V143-K147 PolarHBondContact O-N 2.97Å; L145-K147 VanDerWaalsContact C-N 3.31Å; L145-K147 PolarHBondContact O-N 3.37Å
148R91.9Very high94Very high80 Ų8027 Ų2730%0.30212%0.122SC..THydrogen-bonded Turntrans-125.316.5174.8-68.8170.4174.567.25.9112Y144 L145 H146 I150Y144-R148 VanDerWaalsContact CD2-NH1 3.34Å; Y144-R148 VanDerWaalsContact CE2-NH1 3.29Å; Y144-R148 PolarHBondContact O-NH1 3.3Å; Y144-R148 PolarHBondContact OH-NE 3.1Å; Y144-R148 PolarHBondContact OH-NH2 2.94Å; L145-R148 CarbonylContact O-C 3.56Å; L145-R148 WeakPolarHBondContact O-CA 3.23Å; L145-R148 PolarHBondContact O-N 3.2Å; H146-R148 PolarHBondContact O-N 3.43Å; H146-R148 VanDerWaalsContact O-N 3.11Å; R148-I150 HydrophobicContact CB-CD1 4Å; R148-I150 HydrophobicContact CB-CG1 4.35Å; R148-I150 PolarHBondContact O-N 3.37Å
149D89.2Confident93.8Very high79 Ų7927.7 Ų27.742%0.42213%0.126SC..THydrogen-bonded Turntrans60.79.4-175.9-53.6-69.3000114.5L145 H146 K185 A186L145-D149 PolarHBondContact O-N 3.12Å; H146-D149 PolarHBondContact O-N 3.3Å; H146-D149 VanDerWaalsContact O-N 3.12Å; D149-K185 CarbonylContact O-C 3.25Å; D149-K185 VanDerWaalsContact O-CA 3.27Å; D149-K185 WeakPolarHBondContact O-CA 3.38Å; D149-A186 HydrophobicContact CB-CB 3.97Å; D149-A186 PolarHBondContact O-N 3.43Å
150I89.8Confident93.8Very high2 Ų227.7 Ų27.71%0.0113%0.126CC..EExtended strand (participates in β ladder)trans-84.5130.6178.6-60.6158.5000108.8I82 V86 L145 H146 R148 V184 K185I82-I150 HydrophobicContact CD1-CG2 4.21Å; I82-I150 HydrophobicContact CG2-CD1 4.29Å; I82-I150 HydrophobicContact CG2-CG2 4.1Å; V86-I150 HydrophobicContact CG1-CD1 3.8Å; L145-I150 CarbonylContact C-O 3.6Å; L145-I150 VanDerWaalsContact C-O 3.25Å; L145-I150 HydrophobicContact CB-CB 4.32Å; L145-I150 HydrophobicContact CD2-CB 4.09Å; L145-I150 HydrophobicContact CD2-CD1 4.31Å; L145-I150 HydrophobicContact CD2-CG2 3.81Å; L145-I150 PolarHBondContact O-N 3.25Å; H146-I150 PolarHBondContact CD2-O 3.44Å; R148-I150 HydrophobicContact CB-CD1 4Å; R148-I150 HydrophobicContact CB-CG1 4.35Å; R148-I150 PolarHBondContact O-N 3.37Å; I150-V184 CarbonylContact C-O 3.55Å; I150-V184 WeakPolarHBondContact CA-O 3.32Å; I150-K185 HydrophobicContact CG1-CG 4.3Å
151V90.1Very high93.7Very high0 Ų027.9 Ų27.90%013%0.127CC..EExtended strand (participates in β ladder)trans-124129.6175.6176.70000109.5R153 S183 V184 S216 H217 D220V151-R153 HydrophobicContact CG1-CG 3.86Å; V151-S183 CarbonylContact O-C 3.56Å; V151-S183 WeakPolarHBondContact O-CA 3.45Å; V151-S183 WeakPolarHBondContact O-CB 3.38Å; V151-V184 PolarHBondContact N-O 3.45Å; V151-V184 PolarHBondContact O-N 3.31Å; V151-S216 VanDerWaalsContact CG1-C 3.46Å; V151-S216 WeakPolarHBondContact CG1-O 3.37Å; V151-H217 HydrophobicContact CG2-CB 4.43Å; V151-H217 WeakPolarHBondContact CG2-CE1 3.33Å; V151-H217 WeakPolarHBondContact CG2-ND1 3.35Å; V151-D220 VanDerWaalsContact CG1-OD2 3.26Å; V151-D220 WeakPolarHBondContact CG1-OD2 3.38Å
152H91.8Very high93.6Very high0 Ų028 Ų280%013%0.128CC..  trans-72.3-41.4-167.2-164.7-78.1000112.3D154 L155 V177 A178 D179 F180 S183 D220H152-D154 PolarHBondContact O-N 3.42Å; H152-L155 HydrophobicContact CB-CD1 4.43Å; H152-L155 HydrophobicContact CB-CD2 4.06Å; H152-L155 HydrophobicContact CB-CG 3.85Å; H152-L155 PolarHBondContact ND1-N 2.91Å; H152-V177 WeakPolarHBondContact NE2-CG1 3.35Å; H152-A178 PolarHBondContact CE1-O 2.89Å; H152-A178 PolarHBondContact NE2-O 2.85Å; H152-D179 PolarHBondContact CE1-O 2.9Å; H152-F180 AromaticContact CD2-CD1 3.76Å; H152-F180 AromaticContact CD2-CE1 3.5Å; H152-F180 VanDerWaalsContact CD2-CE1 3.5Å; H152-F180 WeakPolarHBondContact CD2-CE1 3.4Å; H152-F180 AromaticContact NE2-CE1 3.99Å; H152-S183 WeakPolarHBondContact CA-OG 3.43Å; H152-S183 WeakPolarHBondContact O-CA 3.13Å; H152-S183 PolarHBondContact O-OG 3.06Å; H152-D220 PolarHBondContact N-OD1 2.81Å; H152-D220 PolarHBondContact N-OD2 3.02Å
153R89.1Confident93.3Very high40 Ų4031.8 Ų31.815%0.15114%0.144CC..SBendtrans63.1-17.8178.9-64.5-175.4158.1177.6-3.9117.2V151 V184 G190 M209 Y215 D220V151-R153 HydrophobicContact CG1-CG 3.86Å; R153-V184 VanDerWaalsContact CZ-CG2 3.42Å; R153-G190 PolarHBondContact NH1-O 3.19Å; R153-M209 HydrophobicContact CB-CE 4.43Å; R153-Y215 PolarHBondContact NH2-O 3.02Å; R153-D220 PolarHBondContact N-OD1 3.49Å
154D88.8Confident93Very high14 Ų1432 Ų328%0.07515%0.145CC..  trans-129.744.1179.4-165.829.5000112.4H152 K156 N159 L182H152-D154 PolarHBondContact O-N 3.42Å; D154-K156 IonicContact OD1-NZ 3.43Å; D154-K156 PolarHBondContact OD1-NZ 3.14Å; D154-K156 IonicContact OD2-NZ 3.7Å; D154-K156 PolarHBondContact OD2-NZ 2.87Å; D154-N159 PolarHBondContact O-ND2 3.13Å; D154-N159 PolarHBondContact OD2-ND2 3.43Å; D154-N159 VanDerWaalsContact OD2-ND2 3.14Å; D154-L182 HydrophobicContact CB-CB 4.08Å; D154-L182 HydrophobicContact CB-CD1 3.87Å
155L94.1Very high92.2Very high0 Ų031.5 Ų31.50%015%0.146CC..  trans-72.2124.8171-71.9178.1000110.4L138 V142 H152 V177 D220 S223 I224 I227L138-L155 HydrophobicContact CD1-CD2 4.24Å; V142-L155 HydrophobicContact CG2-CD1 3.67Å; H152-L155 HydrophobicContact CB-CD1 4.43Å; H152-L155 HydrophobicContact CB-CD2 4.06Å; H152-L155 HydrophobicContact CB-CG 3.85Å; H152-L155 PolarHBondContact ND1-N 2.91Å; L155-V177 HydrophobicContact CD2-CG1 3.81Å; L155-D220 HydrophobicContact CD1-CB 3.75Å; L155-S223 WeakPolarHBondContact O-CB 3.4Å; L155-I224 HydrophobicContact CD1-CG1 4.43Å; L155-I227 HydrophobicContact CB-CD1 4.36Å
156K94.3Very high90.8Very high30 Ų3035.7 Ų35.713%0.1317%0.173CC..SBendtrans-163.3164.9-179.256.3-177.3177-134.80110.6D154 E158 N159 I160 Y204D154-K156 IonicContact OD1-NZ 3.43Å; D154-K156 PolarHBondContact OD1-NZ 3.14Å; D154-K156 IonicContact OD2-NZ 3.7Å; D154-K156 PolarHBondContact OD2-NZ 2.87Å; K156-E158 HydrophobicContact CD-CB 4.08Å; K156-E158 HydrophobicContact CD-CG 4.5Å; K156-E158 HydrophobicContact CG-CB 4.05Å; K156-E158 PolarHBondContact O-N 2.85Å; K156-E158 VanDerWaalsContact O-N 3.14Å; K156-N159 WeakPolarHBondContact CE-ND2 3.43Å; K156-N159 WeakPolarHBondContact CE-OD1 3.45Å; K156-N159 HydrophobicContact CG-CB 3.93Å; K156-N159 PolarHBondContact O-N 3.22Å; K156-I160 PolarHBondContact O-N 3.39Å; K156-Y204 HydrophobicContact CB-CD1 3.95Å; K156-Y204 HydrophobicContact CB-CD2 3.6Å; K156-Y204 HydrophobicContact CB-CE1 3.78Å; K156-Y204 HydrophobicContact CB-CE2 3.39Å; K156-Y204 HydrophobicContact CB-CG 3.84Å; K156-Y204 VanDerWaalsContact CB-CZ 3.45Å; K156-Y204 HydrophobicContact CD-CE2 4.42Å
157L95.4Very high89.7Confident6 Ų640.6 Ų40.63%0.03120%0.2CC..THydrogen-bonded Turntrans-60.6-23.7-179.7-61.9173.1000113.8L116 K117 L120 Y204 I227 M230 L231L116-L157 HydrophobicContact CD2-CD2 3.84Å; L116-L157 HydrophobicContact CG-CD2 3.95Å; K117-L157 HydrophobicContact CB-CB 3.74Å; K117-L157 WeakPolarHBondContact CB-O 3.37Å; K117-L157 HydrophobicContact CG-CB 4.47Å; K117-L157 PolarHBondContact N-O 3.07Å; L120-L157 HydrophobicContact CD2-CD1 3.53Å; L157-Y204 HydrophobicContact CG-CE1 4.31Å; L157-Y204 PolarHBondContact N-OH 3.27Å; L157-I227 HydrophobicContact CD2-CG1 4.36Å; L157-I227 HydrophobicContact CD2-CG2 3.9Å; L157-M230 HydrophobicContact CD1-CB 4.07Å; L157-M230 HydrophobicContact CD1-CG 4.5Å; L157-M230 HydrophobicContact CD1-SD 3.61Å; L157-M230 HydrophobicContact CG-SD 4.21Å; L157-L231 HydrophobicContact CD2-CD2 4.18Å; L157-L231 HydrophobicContact CD2-CG 4.48Å
158E93.2Very high88.7Confident62 Ų6236.5 Ų36.529%0.2919%0.185SC..THydrogen-bonded Turntrans-70.6-30.8172.7-66.984.9166.100113.7T115 K117 K156 Y204T115-E158 WeakPolarHBondContact CG2-O 3.44Å; K117-E158 HydrophobicContact CD-CG 3.64Å; K117-E158 WeakPolarHBondContact CD-OE1 3.32Å; K117-E158 WeakPolarHBondContact CE-OE1 3.48Å; K117-E158 IonicContact NZ-OE1 3.51Å; K117-E158 PolarHBondContact NZ-OE1 2.93Å; K156-E158 HydrophobicContact CD-CB 4.08Å; K156-E158 HydrophobicContact CD-CG 4.5Å; K156-E158 HydrophobicContact CG-CB 4.05Å; K156-E158 PolarHBondContact O-N 2.85Å; K156-E158 VanDerWaalsContact O-N 3.14Å; E158-Y204 PolarHBondContact OE2-OH 2.92Å
159N94.3Very high87.3Confident14 Ų1440.7 Ų40.78%0.07521%0.214CC..SBendtrans-1016.6-171.5-74.614.4000112.7D154 K156 A178D154-N159 PolarHBondContact O-ND2 3.13Å; D154-N159 PolarHBondContact OD2-ND2 3.43Å; D154-N159 VanDerWaalsContact OD2-ND2 3.14Å; K156-N159 WeakPolarHBondContact CE-ND2 3.43Å; K156-N159 WeakPolarHBondContact CE-OD1 3.45Å; K156-N159 HydrophobicContact CG-CB 3.93Å; K156-N159 PolarHBondContact O-N 3.22Å; N159-A178 WeakPolarHBondContact CB-O 3.3Å; N159-A178 PolarHBondContact O-N 3.47Å
160I97.1Very high86.5Confident0 Ų041.4 Ų41.40%022%0.215CC..EExtended strand (participates in β ladder)trans-111.3119.1171.1-60.1170.1000107.1T115 L116 L138 K156 I175 I227T115-I160 WeakPolarHBondContact CA-O 3.37Å; L116-I160 HydrophobicContact CB-CB 4.04Å; L116-I160 HydrophobicContact CB-CG2 4.07Å; L116-I160 HydrophobicContact CD2-CB 4.15Å; L116-I160 HydrophobicContact CD2-CD1 4.09Å; L116-I160 HydrophobicContact CD2-CG2 3.92Å; L116-I160 PolarHBondContact N-O 3.46Å; L138-I160 HydrophobicContact CD1-CD1 3.79Å; L138-I160 HydrophobicContact CD1-CG1 4.37Å; L138-I160 HydrophobicContact CD2-CD1 3.79Å; L138-I160 HydrophobicContact CG-CD1 4.41Å; K156-I160 PolarHBondContact O-N 3.39Å; I160-I175 HydrophobicContact CG2-CB 3.76Å; I160-I175 HydrophobicContact CG2-CD1 4.04Å; I160-I175 HydrophobicContact CG2-CG2 3.98Å; I160-I227 HydrophobicContact CD1-CD1 3.88Å
161L96.6Very high85.7Confident43 Ų4349 Ų4923%0.22526%0.255CS..EExtended strand (participates in β ladder)trans-97156.5176.5-53.3-176.4000110.4I92 C111 G114 T115 I175 K176 A178I92-L161 HydrophobicContact CD1-CD1 4.22Å; C111-L161 HydrophobicContact CB-CB 3.72Å; C111-L161 HydrophobicContact CB-CD1 4.09Å; G114-L161 CarbonylContact O-C 3.58Å; G114-L161 VanDerWaalsContact O-CA 3.26Å; G114-L161 WeakPolarHBondContact O-CA 3.36Å; T115-L161 HydrophobicContact CG2-CD2 3.79Å; L161-I175 CarbonylContact O-C 3.5Å; L161-I175 VanDerWaalsContact O-CA 3.29Å; L161-I175 WeakPolarHBondContact O-CA 3.36Å; L161-K176 HydrophobicContact CB-CB 4.37Å; L161-K176 PolarHBondContact N-O 2.85Å; L161-K176 PolarHBondContact O-N 3.04Å; L161-A178 HydrophobicContact CD1-CB 4.27Å; L161-A178 HydrophobicContact CG-CB 4.32Å
162V95.6Very high85.2Confident3 Ų353 Ų532%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-112.8124.5173.1179.90000108.4C111 R112 G113 G114 Q119 N164 F173 I175C111-V162 CarbonylContact C-O 3.59Å; C111-V162 WeakPolarHBondContact CB-O 3.33Å; R112-V162 PolarHBondContact N-O 2.89Å; G113-V162 WeakPolarHBondContact CA-O 3.28Å; G113-V162 PolarHBondContact N-O 3.23Å; G114-V162 PolarHBondContact O-N 3.31Å; Q119-V162 HydrophobicContact CG-CG2 4.09Å; V162-N164 WeakPolarHBondContact CG1-OD1 3.38Å; V162-F173 HydrophobicContact CG1-CB 4.4Å; V162-F173 HydrophobicContact CG1-CD1 3.93Å; V162-F173 HydrophobicContact CG2-CD1 4.17Å; V162-I175 HydrophobicContact CG2-CG2 4.45Å
163K92.3Very high85Confident78 Ų7854.6 Ų54.634%0.33928%0.277SS..  trans-82-48.7-167.9-170.9-156.7-170.5-173.90112.6E109 R112 D174 K176E109-K163 WeakPolarHBondContact OE2-CE 3.5Å; R112-K163 WeakPolarHBondContact CB-O 3.37Å; R112-K163 PolarHBondContact N-O 3.3Å; K163-D174 HydrophobicContact CB-CB 4.08Å; K163-D174 WeakPolarHBondContact CB-O 3.21Å; K163-D174 HydrophobicContact CD-CB 4.39Å; K163-D174 WeakPolarHBondContact CD-OD2 3.44Å; K163-D174 PolarHBondContact N-O 3.23Å; K163-D174 IonicContact NZ-OD2 2.85Å; K163-D174 PolarHBondContact NZ-OD2 3.01Å; K163-K176 HydrophobicContact CB-CG 4.29Å
164N89.7Confident85.1Confident16 Ų1653.5 Ų53.59%0.08627%0.274CS..SBendtrans-67.8152.617255.6-36.6000111.6G113 V162 D168 W172 D174G113-N164 WeakPolarHBondContact CA-O 3.48Å; G113-N164 PolarHBondContact N-O 2.98Å; V162-N164 WeakPolarHBondContact CG1-OD1 3.38Å; N164-D168 HydrophobicContact CB-CB 4.47Å; N164-W172 PolarHBondContact ND2-O 3.13Å; N164-D174 PolarHBondContact OD1-N 2.95Å; N164-D174 VanDerWaalsContact OD1-N 3.08Å
165S80.6Confident85.5Confident21 Ų2152.8 Ų52.815%0.14727%0.271CS..  trans-81.6152.1170.6-150.80000110D167 D168S165-D167 PolarHBondContact O-N 3.21Å; S165-D167 VanDerWaalsContact O-N 3.12Å; S165-D167 PolarHBondContact OG-OD2 2.73Å; S165-D168 VanDerWaalsContact CB-OD2 3.27Å; S165-D168 WeakPolarHBondContact CB-OD2 3.32Å; S165-D168 PolarHBondContact N-OD2 2.85Å; S165-D168 WeakPolarHBondContact O-CB 3.1Å; S165-D168 PolarHBondContact O-N 3.1Å
166P66.9Low85.7Confident88 Ų8853.4 Ų53.457%0.57127%0.273SS*.THydrogen-bonded Turntrans-61.1-14.2167-22.735.1000114.2
167D70.1Confident85.8Confident133 Ų13352 Ų5271%0.71127%0.267SS*.THydrogen-bonded Turntrans-91.6-12.4175.1-32.1-89.3000113.2S165S165-D167 PolarHBondContact O-N 3.21Å; S165-D167 VanDerWaalsContact O-N 3.12Å; S165-D167 PolarHBondContact OG-OD2 2.73Å
168D71.2Confident85.7Confident57 Ų5752.3 Ų52.331%0.30527%0.271SS..SBendtrans-78.2128.6170.3-60-40.9000106.6N164 S165 E170N164-D168 HydrophobicContact CB-CB 4.47Å; S165-D168 VanDerWaalsContact CB-OD2 3.27Å; S165-D168 WeakPolarHBondContact CB-OD2 3.32Å; S165-D168 PolarHBondContact N-OD2 2.85Å; S165-D168 WeakPolarHBondContact O-CB 3.1Å; S165-D168 PolarHBondContact O-N 3.1Å; D168-E170 PolarHBondContact O-N 2.78Å
169N63.8Low85.4Confident168 Ų16851.3 Ų51.390%0.89827%0.267SS*.  trans-75.958.6-170.2-62.9-80.6000112.9
170E71.9Confident84.9Confident95 Ų9550.7 Ų50.744%0.44426%0.264SS..  trans-121.2113.5-175.1-69.4-170.2-129.300110.7D168 W172D168-E170 PolarHBondContact O-N 2.78Å; E170-W172 PolarHBondContact O-N 3.31Å; E170-W172 PolarHBondContact OE2-NE1 3.32Å
171D72.4Confident84Confident160 Ų16050.9 Ų50.986%0.85627%0.266SS*.SBendtrans-73.431.5-177.4-61.9-51.4000114.5
172W81Confident83Confident86 Ų8651 Ų5133%0.32627%0.267SS..SBendtrans-154.2164.9-178.177.8-62.2000111.9N164 E170 D174N164-W172 PolarHBondContact ND2-O 3.13Å; E170-W172 PolarHBondContact O-N 3.31Å; E170-W172 PolarHBondContact OE2-NE1 3.32Å; W172-D174 HydrophobicContact CH2-CB 3.43Å; W172-D174 VanDerWaalsContact CH2-CB 3.43Å; W172-D174 HydrophobicContact CZ2-CB 3.69Å; W172-D174 HydrophobicContact CZ3-CB 3.9Å
173F87Confident82Confident32 Ų3251 Ų5114%0.1427%0.266CS..  trans-108.5106.3-179.8-64.5-94.3000109.6Q119 K123 F126 E130 I134 V162 I175Q119-F173 HydrophobicContact CB-CE1 4.44Å; Q119-F173 HydrophobicContact CG-CE1 4.23Å; K123-F173 HydrophobicContact CD-CZ 4.05Å; F126-F173 HydrophobicContact CD1-CE2 4.06Å; F126-F173 HydrophobicContact CD1-CZ 4.35Å; F126-F173 HydrophobicContact CE1-CD1 4.4Å; F126-F173 HydrophobicContact CE1-CD2 4.11Å; F126-F173 AromaticContact CE1-CE1 4Å; F126-F173 HydrophobicContact CE1-CE1 4Å; F126-F173 AromaticContact CE1-CE2 3.68Å; F126-F173 HydrophobicContact CE1-CE2 3.68Å; F126-F173 HydrophobicContact CE1-CG 4.48Å; F126-F173 AromaticContact CE1-CZ 3.64Å; F126-F173 HydrophobicContact CE1-CZ 3.64Å; E130-F173 HydrophobicContact CG-CE2 4.28Å; E130-F173 WeakPolarHBondContact OE1-CE2 3.49Å; I134-F173 HydrophobicContact CD1-CB 4.31Å; I134-F173 HydrophobicContact CD1-CD2 4.1Å; I134-F173 HydrophobicContact CD1-CG 4.25Å; I134-F173 HydrophobicContact CG1-CB 4.11Å; V162-F173 HydrophobicContact CG1-CB 4.4Å; V162-F173 HydrophobicContact CG1-CD1 3.93Å; V162-F173 HydrophobicContact CG2-CD1 4.17Å; F173-I175 HydrophobicContact CB-CG2 4.23Å; F173-I175 PolarHBondContact O-N 3.32Å; F173-I175 VanDerWaalsContact O-N 3.07Å
174D91.7Very high81.2Confident17 Ų1748.6 Ų48.69%0.09126%0.258CS..  trans-74.296.8171.9-173.72.7000108.6K163 N164 W172K163-D174 HydrophobicContact CB-CB 4.08Å; K163-D174 WeakPolarHBondContact CB-O 3.21Å; K163-D174 HydrophobicContact CD-CB 4.39Å; K163-D174 WeakPolarHBondContact CD-OD2 3.44Å; K163-D174 PolarHBondContact N-O 3.23Å; K163-D174 IonicContact NZ-OD2 2.85Å; K163-D174 PolarHBondContact NZ-OD2 3.01Å; N164-D174 PolarHBondContact OD1-N 2.95Å; N164-D174 VanDerWaalsContact OD1-N 3.08Å; W172-D174 HydrophobicContact CH2-CB 3.43Å; W172-D174 VanDerWaalsContact CH2-CB 3.43Å; W172-D174 HydrophobicContact CZ2-CB 3.69Å; W172-D174 HydrophobicContact CZ3-CB 3.9Å
175I96.5Very high80.2Confident0 Ų052.1 Ų52.10%027%0.273CS..EExtended strand (participates in β ladder)trans-89146.3-175.564.6151.3000113.7H90 I134 C137 L138 I160 L161 V162 F173H90-I175 WeakPolarHBondContact CA-O 3.26Å; I134-I175 HydrophobicContact CG1-CG2 4.42Å; I134-I175 HydrophobicContact CG2-CD1 4.37Å; I134-I175 HydrophobicContact CG2-CG2 4.44Å; I134-I175 WeakPolarHBondContact O-CD1 3.37Å; C137-I175 HydrophobicContact CB-CD1 3.76Å; C137-I175 HydrophobicContact CB-CG1 3.49Å; C137-I175 VanDerWaalsContact CB-CG1 3.49Å; L138-I175 HydrophobicContact CB-CD1 3.92Å; I160-I175 HydrophobicContact CG2-CB 3.76Å; I160-I175 HydrophobicContact CG2-CD1 4.04Å; I160-I175 HydrophobicContact CG2-CG2 3.98Å; L161-I175 CarbonylContact O-C 3.5Å; L161-I175 VanDerWaalsContact O-CA 3.29Å; L161-I175 WeakPolarHBondContact O-CA 3.36Å; V162-I175 HydrophobicContact CG2-CG2 4.45Å; F173-I175 HydrophobicContact CB-CG2 4.23Å; F173-I175 PolarHBondContact O-N 3.32Å; F173-I175 VanDerWaalsContact O-N 3.07Å
176K97.8Very high79Confident12 Ų1253 Ų535%0.05228%0.282CS..EExtended strand (participates in β ladder)trans-130.1115.2178.6-65.2-68.4-173.6154.90110.6A89 I91 I92 E109 L161 K163A89-K176 WeakPolarHBondContact O-CE 3.28Å; A89-K176 PolarHBondContact O-NZ 2.86Å; I91-K176 WeakPolarHBondContact O-CD 3.37Å; I91-K176 PolarHBondContact O-NZ 3.24Å; I92-K176 HydrophobicContact CB-CB 4.47Å; I92-K176 HydrophobicContact CD1-CB 4.05Å; I92-K176 HydrophobicContact CD1-CG 4.42Å; E109-K176 VanDerWaalsContact CD-CE 3.46Å; E109-K176 VanDerWaalsContact CD-NZ 3.3Å; E109-K176 WeakPolarHBondContact OE1-CD 3.46Å; E109-K176 WeakPolarHBondContact OE1-CE 3.47Å; E109-K176 IonicContact OE1-NZ 3.72Å; E109-K176 PolarHBondContact OE1-NZ 3.27Å; E109-K176 WeakPolarHBondContact OE2-CE 3.43Å; E109-K176 IonicContact OE2-NZ 2.73Å; E109-K176 PolarHBondContact OE2-NZ 3.2Å; L161-K176 HydrophobicContact CB-CB 4.37Å; L161-K176 PolarHBondContact N-O 2.85Å; L161-K176 PolarHBondContact O-N 3.04Å; K163-K176 HydrophobicContact CB-CG 4.29Å
177V97.4Very high78.1Confident0 Ų055.5 Ų55.50%029%0.29CS..EExtended strand (participates in β ladder)trans-72132.5172.8178.70000110H90 I92 L138 A141 H152 L155 F180H90-V177 PolarHBondContact O-N 2.94Å; I92-V177 WeakPolarHBondContact CB-O 3.49Å; I92-V177 WeakPolarHBondContact CG2-O 3.29Å; I92-V177 PolarHBondContact N-O 3.03Å; L138-V177 HydrophobicContact CD1-CG2 3.63Å; A141-V177 HydrophobicContact CB-CG2 3.92Å; H152-V177 WeakPolarHBondContact NE2-CG1 3.35Å; L155-V177 HydrophobicContact CD2-CG1 3.81Å; V177-F180 HydrophobicContact CG1-CZ 4.28Å
178A93.3Very high76.8Confident13 Ų1351 Ų5111%0.10728%0.276CS..  trans-144.3170.8-173.500000113.4I92 H152 N159 L161I92-A178 HydrophobicContact CB-CB 4.13Å; I92-A178 HydrophobicContact CG2-CB 3.79Å; H152-A178 PolarHBondContact CE1-O 2.89Å; H152-A178 PolarHBondContact NE2-O 2.85Å; N159-A178 WeakPolarHBondContact CB-O 3.3Å; N159-A178 PolarHBondContact O-N 3.47Å; L161-A178 HydrophobicContact CD1-CB 4.27Å; L161-A178 HydrophobicContact CG-CB 4.32Å
179D86Confident75.2Confident42 Ų4255.7 Ų55.723%0.22531%0.306CS..  trans61.874.4-175.4-160.6-6.3000114.8H152 G181H152-D179 PolarHBondContact CE1-O 2.9Å; D179-G181 PolarHBondContact O-N 3.09Å; D179-G181 PolarHBondContact OD1-N 3.29Å
180F84.6Confident74.2Confident0 Ų049.6 Ų49.60%028%0.283CS..G310 helixtrans-79.315.3174.3-65.9-89.2000113.6N78 E79 I82 L83 I91 I92 L145 H152 V177 L182 S183N78-F180 PolarHBondContact ND2-O 3.31Å; N78-F180 VanDerWaalsContact ND2-O 3.11Å; E79-F180 HydrophobicContact CG-CB 4.42Å; I82-F180 HydrophobicContact CB-CB 4.23Å; I82-F180 HydrophobicContact CD1-CB 4.49Å; I82-F180 HydrophobicContact CG2-CB 4.01Å; I82-F180 HydrophobicContact CG2-CD1 3.55Å; I82-F180 HydrophobicContact CG2-CE1 4.14Å; I82-F180 HydrophobicContact CG2-CG 3.78Å; L83-F180 HydrophobicContact CD2-CD2 3.55Å; L83-F180 HydrophobicContact CD2-CE2 3.66Å; L83-F180 HydrophobicContact CG-CD2 3.97Å; I91-F180 HydrophobicContact CG2-CE2 3.83Å; I91-F180 HydrophobicContact CG2-CZ 3.67Å; I92-F180 HydrophobicContact CG2-CE2 4.49Å; L145-F180 HydrophobicContact CD1-CE1 3.85Å; L145-F180 HydrophobicContact CD1-CZ 4.35Å; L145-F180 HydrophobicContact CD2-CE1 3.74Å; L145-F180 HydrophobicContact CD2-CZ 4.32Å; L145-F180 HydrophobicContact CG-CE1 4.47Å; H152-F180 AromaticContact CD2-CD1 3.76Å; H152-F180 AromaticContact CD2-CE1 3.5Å; H152-F180 VanDerWaalsContact CD2-CE1 3.5Å; H152-F180 WeakPolarHBondContact CD2-CE1 3.4Å; H152-F180 AromaticContact NE2-CE1 3.99Å; V177-F180 HydrophobicContact CG1-CZ 4.28Å; F180-L182 PolarHBondContact O-N 3.16Å; F180-S183 VanDerWaalsContact CA-OG 3.31Å; F180-S183 WeakPolarHBondContact CA-OG 3.23Å; F180-S183 WeakPolarHBondContact O-CB 3.45Å; F180-S183 PolarHBondContact O-N 3.36Å; F180-S183 PolarHBondContact O-OG 3.46Å
181G77.3Confident73Confident4 Ų449.8 Ų49.84%0.04129%0.285CS..G310 helixtrans-64.9-20-174.900000115.1M75 D179M75-G181 WeakPolarHBondContact CB-O 3.36Å; M75-G181 VanDerWaalsContact CE-O 3.29Å; M75-G181 WeakPolarHBondContact CE-O 3.41Å; M75-G181 VanDerWaalsContact CG-O 3.29Å; M75-G181 WeakPolarHBondContact CG-O 3.46Å; D179-G181 PolarHBondContact O-N 3.09Å; D179-G181 PolarHBondContact OD1-N 3.29Å
182L75.3Confident71.8Confident46 Ų4653 Ų5324%0.24129%0.286CS..G310 helixtrans-109.6-1.8176.4-75.9173.6000114.2M75 D154 F180 V194M75-L182 HydrophobicContact CE-CD2 3.49Å; M75-L182 VanDerWaalsContact CE-CD2 3.49Å; M75-L182 HydrophobicContact CE-CG 3.64Å; M75-L182 HydrophobicContact SD-CD2 4.48Å; D154-L182 HydrophobicContact CB-CB 4.08Å; D154-L182 HydrophobicContact CB-CD1 3.87Å; F180-L182 PolarHBondContact O-N 3.16Å; L182-V194 HydrophobicContact CD1-CG1 4.06Å; L182-V194 HydrophobicContact CD2-CG1 3.71Å; L182-V194 HydrophobicContact CD2-CG2 4.15Å; L182-V194 HydrophobicContact CG-CG1 4.47Å
183S75.1Confident70Confident2 Ų258.1 Ų58.11%0.01431%0.31CS..  trans-73.5157.3-176.7-49.90000111.9N78 V151 H152 F180N78-S183 PolarHBondContact ND2-O 3.36Å; V151-S183 CarbonylContact O-C 3.56Å; V151-S183 WeakPolarHBondContact O-CA 3.45Å; V151-S183 WeakPolarHBondContact O-CB 3.38Å; H152-S183 WeakPolarHBondContact CA-OG 3.43Å; H152-S183 WeakPolarHBondContact O-CA 3.13Å; H152-S183 PolarHBondContact O-OG 3.06Å; F180-S183 VanDerWaalsContact CA-OG 3.31Å; F180-S183 WeakPolarHBondContact CA-OG 3.23Å; F180-S183 WeakPolarHBondContact O-CB 3.45Å; F180-S183 PolarHBondContact O-N 3.36Å; F180-S183 PolarHBondContact O-OG 3.46Å
184V76.4Confident68Low28 Ų2859.2 Ų59.217%0.1732%0.32CS..EExtended strand (participates in β ladder)trans-139.4159.1177-59.80000111.5I150 V151 R153I150-V184 CarbonylContact C-O 3.55Å; I150-V184 WeakPolarHBondContact CA-O 3.32Å; V151-V184 PolarHBondContact N-O 3.45Å; V151-V184 PolarHBondContact O-N 3.31Å; R153-V184 VanDerWaalsContact CZ-CG2 3.42Å
185K67.9Low65.5Low90 Ų9063.4 Ų63.439%0.39134%0.341SS..EExtended strand (participates in β ladder)trans-80.6143.7156.2-65.7-163.5175.7-164.60110.1D149 I150 D187 G188D149-K185 CarbonylContact O-C 3.25Å; D149-K185 VanDerWaalsContact O-CA 3.27Å; D149-K185 WeakPolarHBondContact O-CA 3.38Å; I150-K185 HydrophobicContact CG1-CG 4.3Å; K185-D187 VanDerWaalsContact C-N 3.33Å; K185-D187 PolarHBondContact O-N 2.82Å; K185-G188 PolarHBondContact O-N 2.96Å
186A54.9Low62.9Low40 Ų4068.7 Ų68.733%0.33137%0.374SS..THydrogen-bonded Turntrans-58.8-39.3-172.500000113.7D149 G188D149-A186 HydrophobicContact CB-CB 3.97Å; D149-A186 PolarHBondContact O-N 3.43Å; A186-G188 PolarHBondContact O-N 3.11Å; A186-G188 VanDerWaalsContact O-N 3.16Å
187D47.7Very low60.1Low141 Ų14174.8 Ų74.875%0.75441%0.407SS*.THydrogen-bonded Turntrans-67.8-10.2177.5-53.6-42.8000114K185 V189K185-D187 VanDerWaalsContact C-N 3.33Å; K185-D187 PolarHBondContact O-N 2.82Å; D187-V189 PolarHBondContact O-N 3.21Å
188G43.5Very low57.4Low39 Ų3979 Ų7940%0.40244%0.437SS..  trans-70.6113.3-179.900000111.9K185 A186 G190K185-G188 PolarHBondContact O-N 2.96Å; A186-G188 PolarHBondContact O-N 3.11Å; A186-G188 VanDerWaalsContact O-N 3.16Å; G188-G190 PolarHBondContact O-N 3.1Å
189V38.4Very low55Low155 Ų15582.1 Ų82.194%0.93946%0.456SS*.  trans-67.274.1172.6-172.80000110.6D187D187-V189 PolarHBondContact O-N 3.21Å
190G42.8Very low53.3Low40 Ų4082 Ų8241%0.41247%0.465SS..  trans-142.240.1-167.600000112.4R153 G188R153-G190 PolarHBondContact NH1-O 3.19Å; G188-G190 PolarHBondContact O-N 3.1Å
191I46.4Very low52.4Low98 Ų9884 Ų8450%0.50348%0.477SS..  trans-87.2-5-172.7-69.9164.5000112.8
192R46.1Very low52.6Low228 Ų22884.3 Ų84.386%0.8648%0.478SS*.SBendtrans-130.881.8-175.9-62.3-169.6-174.8-159.33.9114.9
193K43.3Very low53.2Low194 Ų19483.8 Ų83.884%0.84348%0.475SS*.  trans166.878.7138.5-94173.5178.4179.90112.5
194V45Very low53.9Low55 Ų5584.4 Ų84.433%0.33348%0.477SS..  trans-136.148.2163.3-163.60000110.3L182L182-V194 HydrophobicContact CD1-CG1 4.06Å; L182-V194 HydrophobicContact CD2-CG1 3.71Å; L182-V194 HydrophobicContact CD2-CG2 4.15Å; L182-V194 HydrophobicContact CG-CG1 4.47Å
195L40.8Very low54.5Low105 Ų10583.8 Ų83.855%0.5547%0.473SS..  trans-113.25.5177.8-82.5167.6000113.1
196T42Very low55.5Low111 Ų11179.5 Ų79.568%0.68145%0.454SS*.  trans-95.3125.8-17545.80000111.9
197D37.6Very low57.1Low140 Ų14077.8 Ų77.875%0.74944%0.44SS*.SBendtrans72.8140.9166.2-55.2-27.7000120.1
198S41.1Very low58.8Low89 Ų8971.5 Ų71.562%0.62241%0.406SS*.  trans69.3121.8177-55.20000117.6G200S198-G200 PolarHBondContact O-N 3.02Å
199C42.3Very low60.5Low77 Ų7771.6 Ų71.652%0.5240%0.396SS..THydrogen-bonded Turntrans-67-16.7170.4-64.10000113.7
200G50.2Low62.4Low39 Ų3965.7 Ų65.740%0.40236%0.359SS..THydrogen-bonded Turntrans-67.1-44.2177.700000113S198 L202 L203S198-G200 PolarHBondContact O-N 3.02Å; G200-L202 PolarHBondContact O-N 3.24Å; G200-L203 WeakPolarHBondContact O-CB 3.19Å; G200-L203 WeakPolarHBondContact O-CG 3.41Å; G200-L203 PolarHBondContact O-N 3.24Å; G200-L203 VanDerWaalsContact O-N 3.1Å
201T66.6Low63.8Low43 Ų4366.3 Ų66.326%0.26436%0.357SS..G310 helixtrans-60.5-32.4178.6-370000112L203 Y204 M205T201-L203 PolarHBondContact O-N 3.47Å; T201-Y204 PolarHBondContact O-N 2.95Å; T201-M205 PolarHBondContact O-N 3.12Å
202L80.5Confident64.5Low10 Ų1064.1 Ų64.15%0.05236%0.359CS..G310 helixtrans-67-15178.8-57.7176.7000114.1G200 M205 M210 K243 L246 I250G200-L202 PolarHBondContact O-N 3.24Å; L202-M205 HydrophobicContact CD2-CE 4.29Å; L202-M205 HydrophobicContact CD2-SD 3.83Å; L202-M210 HydrophobicContact CB-CE 4.33Å; L202-M210 HydrophobicContact CD2-CE 4.37Å; L202-M210 WeakPolarHBondContact O-CE 3.3Å; L202-K243 HydrophobicContact CD1-CD 3.67Å; L202-K243 HydrophobicContact CD1-CG 3.68Å; L202-L246 HydrophobicContact CB-CD2 4.22Å; L202-I250 WeakPolarHBondContact O-CD1 3.4Å
203L87.9Confident65.1Low35 Ų3561.4 Ų61.418%0.18335%0.348CS..G310 helixtrans-71.6-34.9177.1-61172.7000111.7G200 T201 V226 M230 P236 F238 L246G200-L203 WeakPolarHBondContact O-CB 3.19Å; G200-L203 WeakPolarHBondContact O-CG 3.41Å; G200-L203 PolarHBondContact O-N 3.24Å; G200-L203 VanDerWaalsContact O-N 3.1Å; T201-L203 PolarHBondContact O-N 3.47Å; L203-V226 WeakPolarHBondContact O-CG1 3.47Å; L203-M230 HydrophobicContact CB-CE 4.28Å; L203-P236 HydrophobicContact CD1-CB 4.4Å; L203-P236 HydrophobicContact CD2-CB 4.15Å; L203-P236 HydrophobicContact CD2-CG 4.4Å; L203-F238 WeakPolarHBondContact CD2-O 3.46Å; L203-L246 HydrophobicContact CD2-CD1 4.12Å; L203-L246 HydrophobicContact CD2-CD2 3.87Å
204Y90Very high65.7Low16 Ų1654.2 Ų54.26%0.06333%0.33CS..THydrogen-bonded Turntrans-93.2-19.9179.1-51.8-86.4000112.6K156 L157 E158 T201 S223 V226 I227 M230K156-Y204 HydrophobicContact CB-CD1 3.95Å; K156-Y204 HydrophobicContact CB-CD2 3.6Å; K156-Y204 HydrophobicContact CB-CE1 3.78Å; K156-Y204 HydrophobicContact CB-CE2 3.39Å; K156-Y204 HydrophobicContact CB-CG 3.84Å; K156-Y204 VanDerWaalsContact CB-CZ 3.45Å; K156-Y204 HydrophobicContact CD-CE2 4.42Å; L157-Y204 HydrophobicContact CG-CE1 4.31Å; L157-Y204 PolarHBondContact N-OH 3.27Å; E158-Y204 PolarHBondContact OE2-OH 2.92Å; T201-Y204 PolarHBondContact O-N 2.95Å; Y204-S223 PolarHBondContact O-OG 3.15Å; Y204-S223 VanDerWaalsContact O-OG 3.07Å; Y204-V226 HydrophobicContact CD1-CB 4.19Å; Y204-V226 HydrophobicContact CD1-CG1 3.54Å; Y204-V226 HydrophobicContact CE1-CG1 4.1Å; Y204-V226 HydrophobicContact CG-CG1 4.24Å; Y204-I227 HydrophobicContact CD1-CG1 4.19Å; Y204-I227 HydrophobicContact CE1-CG1 4.06Å; Y204-M230 HydrophobicContact CD1-CE 4.33Å; Y204-M230 HydrophobicContact CD1-SD 4.44Å; Y204-M230 HydrophobicContact CE1-CE 3.74Å; Y204-M230 HydrophobicContact CE1-SD 3.51Å; Y204-M230 VanDerWaalsContact CE1-SD 3.51Å
205M88.7Confident66.4Low14 Ų1456.4 Ų56.47%0.06933%0.333CS..  trans-66.6134.3-176.9-178.3175-73.200112.7T201 L202 M209 M210 W222T201-M205 PolarHBondContact O-N 3.12Å; L202-M205 HydrophobicContact CD2-CE 4.29Å; L202-M205 HydrophobicContact CD2-SD 3.83Å; M205-M209 HydrophobicContact CG-CB 3.75Å; M205-M209 HydrophobicContact CG-CG 4.38Å; M205-M209 HydrophobicContact CG-SD 3.82Å; M205-M209 HydrophobicContact SD-CB 4.2Å; M205-M210 HydrophobicContact CB-CE 3.73Å; M205-M210 HydrophobicContact CG-CE 3.84Å; M205-M210 HydrophobicContact CG-CG 4.05Å; M205-M210 HydrophobicContact SD-CE 4.12Å; M205-M210 HydrophobicContact SD-CG 3.82Å; M205-W222 PolarHBondContact O-NE1 2.83Å
206A89.2Confident67.8Low0 Ų052.5 Ų52.50%031%0.314CS..  trans-76.8150.9-178.600000113.3E208 M209 M210 C219 W222A206-E208 VanDerWaalsContact CB-CD 3.46Å; A206-E208 WeakPolarHBondContact CB-OE1 3.47Å; A206-E208 WeakPolarHBondContact CB-OE2 3.33Å; A206-E208 PolarHBondContact O-N 2.96Å; A206-M209 HydrophobicContact CB-CG 4.29Å; A206-M209 HydrophobicContact CB-SD 4.34Å; A206-M209 WeakPolarHBondContact O-CB 3.42Å; A206-M209 PolarHBondContact O-N 3.14Å; A206-M209 VanDerWaalsContact O-N 3.11Å; A206-M210 PolarHBondContact O-N 3.14Å; A206-C219 HydrophobicContact CB-CB 3.8Å; A206-W222 HydrophobicContact CB-CB 3.76Å; A206-W222 HydrophobicContact CB-CD2 4.27Å; A206-W222 HydrophobicContact CB-CG 3.66Å
207P88.4Confident69.8Low5 Ų549.3 Ų49.33%0.03229%0.291CS..Hα-helixtrans-56.2-35-176.1-2431.9000114.3M210 S211 W222 I250 M251 T279P207-M210 PolarHBondContact O-N 2.77Å; P207-S211 PolarHBondContact O-N 3.17Å; P207-S211 PolarHBondContact O-OG 3.29Å; P207-W222 HydrophobicContact CG-CE3 4.21Å; P207-W222 HydrophobicContact CG-CH2 3.68Å; P207-W222 HydrophobicContact CG-CZ2 4.04Å; P207-W222 HydrophobicContact CG-CZ3 3.76Å; P207-I250 HydrophobicContact CB-CG2 4.28Å; P207-I250 HydrophobicContact CG-CG2 3.78Å; P207-M251 HydrophobicContact CB-CG 4.4Å; P207-T279 HydrophobicContact CB-CG2 3.86Å; P207-T279 HydrophobicContact CG-CG2 3.8Å
208E84.4Confident72.2Confident8 Ų846.6 Ų46.64%0.03727%0.271CS..Hα-helixtrans-71.3-32.7-179.269.5-80.1-174.200112.9A206 M210 S211 G212 Y215 P281 R284A206-E208 VanDerWaalsContact CB-CD 3.46Å; A206-E208 WeakPolarHBondContact CB-OE1 3.47Å; A206-E208 WeakPolarHBondContact CB-OE2 3.33Å; A206-E208 PolarHBondContact O-N 2.96Å; E208-M210 VanDerWaalsContact C-N 3.32Å; E208-M210 PolarHBondContact O-N 3.34Å; E208-S211 WeakPolarHBondContact O-CB 3.18Å; E208-S211 PolarHBondContact O-N 3.4Å; E208-S211 VanDerWaalsContact O-N 3.1Å; E208-G212 PolarHBondContact O-N 2.93Å; E208-Y215 HydrophobicContact CB-CD2 3.59Å; E208-Y215 HydrophobicContact CB-CE2 3.91Å; E208-Y215 HydrophobicContact CG-CD2 3.59Å; E208-Y215 HydrophobicContact CG-CE2 4.34Å; E208-Y215 HydrophobicContact CG-CG 4.17Å; E208-P281 HydrophobicContact CB-CG 3.97Å; E208-P281 HydrophobicContact CG-CG 3.72Å; E208-R284 IonicContact OE1-CZ 2.68Å; E208-R284 IonicContact OE1-NH1 3.22Å; E208-R284 PolarHBondContact OE1-NH1 3.04Å; E208-R284 IonicContact OE1-NH2 2.82Å; E208-R284 IonicContact OE2-CZ 2.62Å; E208-R284 IonicContact OE2-NH1 2.67Å; E208-R284 PolarHBondContact OE2-NH1 3.14Å; E208-R284 IonicContact OE2-NH2 2.73Å; E208-R284 PolarHBondContact OE2-NH2 3.15Å
209M79.3Confident74.6Confident41 Ų4142.4 Ų42.420%0.20224%0.242CC..Hα-helixtrans-64.3-39173.1-59.5177.979.900111R153 M205 A206 S211 G212 C219R153-M209 HydrophobicContact CB-CE 4.43Å; M205-M209 HydrophobicContact CG-CB 3.75Å; M205-M209 HydrophobicContact CG-CG 4.38Å; M205-M209 HydrophobicContact CG-SD 3.82Å; M205-M209 HydrophobicContact SD-CB 4.2Å; A206-M209 HydrophobicContact CB-CG 4.29Å; A206-M209 HydrophobicContact CB-SD 4.34Å; A206-M209 WeakPolarHBondContact O-CB 3.42Å; A206-M209 PolarHBondContact O-N 3.14Å; A206-M209 VanDerWaalsContact O-N 3.11Å; M209-S211 PolarHBondContact O-N 2.7Å; M209-G212 PolarHBondContact O-N 2.72Å; M209-C219 HydrophobicContact CG-CB 3.83Å; M209-C219 HydrophobicContact SD-CB 3.5Å; M209-C219 WeakPolarHBondContact SD-CB 3.46Å
210M78.4Confident77Confident31 Ų3138.8 Ų38.815%0.15322%0.217CC..Hα-helixtrans-68.4-24.2174.9-56.2-174.5-179.500112.4L202 M205 A206 P207 E208 V247 I250L202-M210 HydrophobicContact CB-CE 4.33Å; L202-M210 HydrophobicContact CD2-CE 4.37Å; L202-M210 WeakPolarHBondContact O-CE 3.3Å; M205-M210 HydrophobicContact CB-CE 3.73Å; M205-M210 HydrophobicContact CG-CE 3.84Å; M205-M210 HydrophobicContact CG-CG 4.05Å; M205-M210 HydrophobicContact SD-CE 4.12Å; M205-M210 HydrophobicContact SD-CG 3.82Å; A206-M210 PolarHBondContact O-N 3.14Å; P207-M210 PolarHBondContact O-N 2.77Å; E208-M210 VanDerWaalsContact C-N 3.32Å; E208-M210 PolarHBondContact O-N 3.34Å; M210-V247 HydrophobicContact SD-CB 4.17Å; M210-V247 HydrophobicContact SD-CG1 3.91Å; M210-V247 HydrophobicContact SD-CG2 3.8Å; M210-I250 HydrophobicContact CE-CD1 3.7Å; M210-I250 HydrophobicContact CE-CG2 4.05Å; M210-I250 HydrophobicContact SD-CB 4.48Å; M210-I250 HydrophobicContact SD-CG2 4Å
211S70.5Confident79.2Confident53 Ų5337 Ų3737%0.37120%0.198SC..THydrogen-bonded Turntrans-86.7-3.4-178.7-55.40000113.6P207 E208 M209 R213 M251P207-S211 PolarHBondContact O-N 3.17Å; P207-S211 PolarHBondContact O-OG 3.29Å; E208-S211 WeakPolarHBondContact O-CB 3.18Å; E208-S211 PolarHBondContact O-N 3.4Å; E208-S211 VanDerWaalsContact O-N 3.1Å; M209-S211 PolarHBondContact O-N 2.7Å; S211-R213 PolarHBondContact O-N 3.47Å; S211-R213 VanDerWaalsContact O-N 3.15Å; S211-M251 WeakPolarHBondContact OG-CE 3.38Å
212G61.9Low80.6Confident53 Ų5334.9 Ų34.955%0.54619%0.185SC..THydrogen-bonded Turntrans66.411.3179.800000115.1E208 M209E208-G212 PolarHBondContact O-N 2.93Å; M209-G212 PolarHBondContact O-N 2.72Å
213R59.4Low81.3Confident170 Ų17034.6 Ų34.664%0.64218%0.184SC*.  trans-79.5139.7175-65.7-177.2178.6-176.1-1.6109.3S211 Y215S211-R213 PolarHBondContact O-N 3.47Å; S211-R213 VanDerWaalsContact O-N 3.15Å; R213-Y215 HydrophobicContact CB-CD2 3.81Å; R213-Y215 HydrophobicContact CB-CE2 3.33Å; R213-Y215 HydrophobicContact CG-CE2 4.32Å; R213-Y215 PolarHBondContact O-N 2.84Å; R213-Y215 VanDerWaalsContact O-N 3.11Å
214G55.1Low81.8Confident44 Ų4433 Ų3345%0.45418%0.176SC..  trans-74100-175.200000112.4
215Y61.1Low82.2Confident100 Ų10032.2 Ų32.239%0.39217%0.173SC..  trans-137163.2172.5-57.6-71.4000111.5R153 E208 R213R153-Y215 PolarHBondContact NH2-O 3.02Å; E208-Y215 HydrophobicContact CB-CD2 3.59Å; E208-Y215 HydrophobicContact CB-CE2 3.91Å; E208-Y215 HydrophobicContact CG-CD2 3.59Å; E208-Y215 HydrophobicContact CG-CE2 4.34Å; E208-Y215 HydrophobicContact CG-CG 4.17Å; R213-Y215 HydrophobicContact CB-CD2 3.81Å; R213-Y215 HydrophobicContact CB-CE2 3.33Å; R213-Y215 HydrophobicContact CG-CE2 4.32Å; R213-Y215 PolarHBondContact O-N 2.84Å; R213-Y215 VanDerWaalsContact O-N 3.11Å
216S68.3Low82.6Confident24 Ų2431.5 Ų31.517%0.16817%0.169CC..  trans-131.6-89.6-177.861.70000109.9V151 W218 C219V151-S216 VanDerWaalsContact CG1-C 3.46Å; V151-S216 WeakPolarHBondContact CG1-O 3.37Å; S216-W218 PolarHBondContact O-N 3.1Å; S216-W218 VanDerWaalsContact O-N 3.16Å; S216-C219 PolarHBondContact O-N 2.86Å; S216-C219 PolarHBondContact O-SG 2.85Å
217H84.4Confident83Confident43 Ų4331.5 Ų31.520%0.19917%0.169CC..Hα-helixtrans-52-46.8-163.6-58-74.3000114.9H146 V151 C219 D220H146-H217 AromaticContact CD2-ND1 3.35Å; H146-H217 PolarHBondContact CD2-ND1 2.65Å; H146-H217 PolarHBondContact CE1-O 2.74Å; H146-H217 AromaticContact CG-ND1 3.21Å; H146-H217 AromaticContact ND1-CG 3.99Å; H146-H217 AromaticContact ND1-ND1 3.66Å; H146-H217 AromaticContact NE2-ND1 3.85Å; V151-H217 HydrophobicContact CG2-CB 4.43Å; V151-H217 WeakPolarHBondContact CG2-CE1 3.33Å; V151-H217 WeakPolarHBondContact CG2-ND1 3.35Å; H217-C219 PolarHBondContact O-N 3.06Å; H217-C219 VanDerWaalsContact O-N 3.1Å; H217-D220 PolarHBondContact O-N 3.3Å
218W89Confident83.5Confident84 Ų8431.3 Ų31.332%0.31817%0.168SC..Hα-helixtrans-61.5-22.9-174.3-53.6106.1000115S216 V221 W222 P281 R284S216-W218 PolarHBondContact O-N 3.1Å; S216-W218 VanDerWaalsContact O-N 3.16Å; W218-V221 PolarHBondContact O-N 2.9Å; W218-W222 PolarHBondContact O-N 3.49Å; W218-P281 HydrophobicContact CB-CB 3.87Å; W218-P281 HydrophobicContact CG-CB 3.89Å; W218-R284 HydrophobicContact CE3-CB 4.36Å; W218-R284 VanDerWaalsContact CZ3-O 3.3Å; W218-R284 WeakPolarHBondContact CZ3-O 3.42Å; W218-R284 PolarHBondContact O-NH1 3.4Å
219C90.4Very high84.1Confident1 Ų131.3 Ų31.31%0.00717%0.168CC..Hα-helixtrans-71.3-34.118074.20000112.3A206 M209 S216 H217 V221 W222 S223A206-C219 HydrophobicContact CB-CB 3.8Å; M209-C219 HydrophobicContact CG-CB 3.83Å; M209-C219 HydrophobicContact SD-CB 3.5Å; M209-C219 WeakPolarHBondContact SD-CB 3.46Å; S216-C219 PolarHBondContact O-N 2.86Å; S216-C219 PolarHBondContact O-SG 2.85Å; H217-C219 PolarHBondContact O-N 3.06Å; H217-C219 VanDerWaalsContact O-N 3.1Å; C219-V221 VanDerWaalsContact C-N 3.28Å; C219-V221 PolarHBondContact O-N 3.09Å; C219-W222 PolarHBondContact O-N 3.44Å; C219-S223 PolarHBondContact O-N 3.44Å; C219-S223 VanDerWaalsContact O-N 3.1Å; C219-S223 PolarHBondContact O-OG 2.91Å
220D93.7Very high85Confident0 Ų029.9 Ų29.90%016%0.161CC..Hα-helixtrans-62.4-39.9175-68.4-17.6000110.2V142 H146 V151 H152 R153 L155 H217 S223 I224V142-D220 HydrophobicContact CG1-CB 4.06Å; H146-D220 IonicContact CD2-OD2 2.84Å; H146-D220 IonicContact CE1-OD2 3.03Å; H146-D220 IonicContact NE2-OD2 2.64Å; H146-D220 PolarHBondContact NE2-OD2 2.8Å; V151-D220 VanDerWaalsContact CG1-OD2 3.26Å; V151-D220 WeakPolarHBondContact CG1-OD2 3.38Å; H152-D220 PolarHBondContact N-OD1 2.81Å; H152-D220 PolarHBondContact N-OD2 3.02Å; R153-D220 PolarHBondContact N-OD1 3.49Å; L155-D220 HydrophobicContact CD1-CB 3.75Å; H217-D220 PolarHBondContact O-N 3.3Å; D220-S223 WeakPolarHBondContact O-CA 3.44Å; D220-S223 VanDerWaalsContact O-CB 3.32Å; D220-S223 WeakPolarHBondContact O-CB 3.44Å; D220-S223 PolarHBondContact O-N 2.83Å; D220-S223 VanDerWaalsContact O-N 3.12Å; D220-I224 WeakPolarHBondContact O-CG1 3.26Å; D220-I224 PolarHBondContact O-N 2.88Å
221V96.1Very high85.9Confident1 Ų128.4 Ų28.41%0.00615%0.154CC..Hα-helixtrans-70.8-33.1-179-163.80000112.5W218 C219 I224 G225 L276 L285 A287W218-V221 PolarHBondContact O-N 2.9Å; C219-V221 VanDerWaalsContact C-N 3.28Å; C219-V221 PolarHBondContact O-N 3.09Å; V221-I224 WeakPolarHBondContact O-CB 3.25Å; V221-I224 PolarHBondContact O-N 3.07Å; V221-G225 PolarHBondContact O-N 3.38Å; V221-G225 VanDerWaalsContact O-N 3.09Å; V221-L276 HydrophobicContact CG1-CD2 3.45Å; V221-L276 VanDerWaalsContact CG1-CD2 3.45Å; V221-L285 VanDerWaalsContact CG1-O 3.23Å; V221-L285 WeakPolarHBondContact CG1-O 3.4Å; V221-A287 HydrophobicContact CG2-CB 4.11Å
222W95.5Very high87.2Confident0 Ų026.1 Ų26.10%014%0.137CC..Hα-helixtrans-62.8-42.7167.9171.4-79.2000111.2M205 A206 P207 W218 C219 I224 G225 V226 F238 I250 L277M205-W222 PolarHBondContact O-NE1 2.83Å; A206-W222 HydrophobicContact CB-CB 3.76Å; A206-W222 HydrophobicContact CB-CD2 4.27Å; A206-W222 HydrophobicContact CB-CG 3.66Å; P207-W222 HydrophobicContact CG-CE3 4.21Å; P207-W222 HydrophobicContact CG-CH2 3.68Å; P207-W222 HydrophobicContact CG-CZ2 4.04Å; P207-W222 HydrophobicContact CG-CZ3 3.76Å; W218-W222 PolarHBondContact O-N 3.49Å; C219-W222 PolarHBondContact O-N 3.44Å; W222-I224 VanDerWaalsContact C-N 3.31Å; W222-I224 PolarHBondContact O-N 3.24Å; W222-G225 WeakPolarHBondContact O-CA 3.46Å; W222-G225 PolarHBondContact O-N 2.93Å; W222-V226 PolarHBondContact O-N 2.86Å; W222-F238 AromaticContact CH2-CE2 3.75Å; W222-F238 HydrophobicContact CH2-CE2 3.75Å; W222-F238 HydrophobicContact CH2-CZ 4.1Å; W222-F238 HydrophobicContact CZ2-CD2 4.22Å; W222-F238 AromaticContact CZ2-CE2 3.55Å; W222-F238 HydrophobicContact CZ2-CE2 3.55Å; W222-F238 HydrophobicContact CZ2-CZ 4.35Å; W222-I250 HydrophobicContact CH2-CG2 4.39Å; W222-I250 HydrophobicContact CZ2-CG2 3.87Å; W222-L277 HydrophobicContact CD2-CD2 3.96Å; W222-L277 HydrophobicContact CE3-CD2 4.06Å; W222-L277 HydrophobicContact CG-CD2 4.48Å; W222-L277 HydrophobicContact CH2-CD2 4.42Å; W222-L277 HydrophobicContact CZ2-CD2 4.31Å; W222-L277 HydrophobicContact CZ3-CB 4.27Å; W222-L277 HydrophobicContact CZ3-CD2 4.3Å; W222-L277 WeakPolarHBondContact CZ3-O 3.26Å
223S96.1Very high88.8Confident4 Ų424.1 Ų24.13%0.02812%0.115CC..Hα-helixtrans-61.2-37.6174.5-60.40000112.5L155 Y204 C219 D220 G225 V226 I227L155-S223 WeakPolarHBondContact O-CB 3.4Å; Y204-S223 PolarHBondContact O-OG 3.15Å; Y204-S223 VanDerWaalsContact O-OG 3.07Å; C219-S223 PolarHBondContact O-N 3.44Å; C219-S223 VanDerWaalsContact O-N 3.1Å; C219-S223 PolarHBondContact O-OG 2.91Å; D220-S223 WeakPolarHBondContact O-CA 3.44Å; D220-S223 VanDerWaalsContact O-CB 3.32Å; D220-S223 WeakPolarHBondContact O-CB 3.44Å; D220-S223 PolarHBondContact O-N 2.83Å; D220-S223 VanDerWaalsContact O-N 3.12Å; S223-G225 VanDerWaalsContact C-N 3.33Å; S223-G225 PolarHBondContact O-N 2.83Å; S223-V226 PolarHBondContact O-N 2.95Å; S223-I227 WeakPolarHBondContact O-CB 3.39Å; S223-I227 WeakPolarHBondContact O-CD1 3.45Å; S223-I227 VanDerWaalsContact O-CG1 3.25Å; S223-I227 WeakPolarHBondContact O-CG1 3.36Å; S223-I227 PolarHBondContact O-N 3.26Å
224I97.9Very high90.5Very high0 Ų017.8 Ų17.80%010%0.102CC..Hα-helixtrans-57.2-46.9170.4-62.3176.6000110.3I135 L138 V142 L155 D220 V221 W222 V226 I227 M228 L276 L290I135-I224 HydrophobicContact CD1-CG2 3.97Å; I135-I224 HydrophobicContact CG2-CG2 3.86Å; L138-I224 HydrophobicContact CD2-CB 4.42Å; L138-I224 HydrophobicContact CD2-CG1 3.89Å; L138-I224 HydrophobicContact CD2-CG2 4.34Å; L138-I224 HydrophobicContact CG-CD1 4.36Å; L138-I224 HydrophobicContact CG-CG1 4Å; V142-I224 HydrophobicContact CB-CD1 4.26Å; V142-I224 HydrophobicContact CG1-CD1 4.4Å; V142-I224 HydrophobicContact CG2-CD1 4.13Å; L155-I224 HydrophobicContact CD1-CG1 4.43Å; D220-I224 WeakPolarHBondContact O-CG1 3.26Å; D220-I224 PolarHBondContact O-N 2.88Å; V221-I224 WeakPolarHBondContact O-CB 3.25Å; V221-I224 PolarHBondContact O-N 3.07Å; W222-I224 VanDerWaalsContact C-N 3.31Å; W222-I224 PolarHBondContact O-N 3.24Å; I224-V226 PolarHBondContact O-N 3.32Å; I224-I227 PolarHBondContact O-N 3.42Å; I224-M228 WeakPolarHBondContact O-CB 3.43Å; I224-M228 PolarHBondContact O-N 2.86Å; I224-L276 HydrophobicContact CG2-CD1 4.42Å; I224-L290 HydrophobicContact CD1-CD2 4.41Å; I224-L290 HydrophobicContact CG2-CD2 3.87Å
225G97.8Very high92.3Very high0 Ų021.1 Ų21.10%011%0.106CC..Hα-helixtrans-60.6-39.8176.200000113.7V221 W222 S223 F229 L273V221-G225 PolarHBondContact O-N 3.38Å; V221-G225 VanDerWaalsContact O-N 3.09Å; W222-G225 WeakPolarHBondContact O-CA 3.46Å; W222-G225 PolarHBondContact O-N 2.93Å; S223-G225 VanDerWaalsContact C-N 3.33Å; S223-G225 PolarHBondContact O-N 2.83Å; G225-F229 WeakPolarHBondContact O-CB 3.47Å; G225-F229 PolarHBondContact O-N 3.44Å; G225-L273 VanDerWaalsContact O-CD2 3.27Å; G225-L273 WeakPolarHBondContact O-CD2 3.49Å
226V97.3Very high93.8Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-65.9-43.1174.9174.20000111.2L203 Y204 W222 S223 I224 F229 M230 P237 L277L203-V226 WeakPolarHBondContact O-CG1 3.47Å; Y204-V226 HydrophobicContact CD1-CB 4.19Å; Y204-V226 HydrophobicContact CD1-CG1 3.54Å; Y204-V226 HydrophobicContact CE1-CG1 4.1Å; Y204-V226 HydrophobicContact CG-CG1 4.24Å; W222-V226 PolarHBondContact O-N 2.86Å; S223-V226 PolarHBondContact O-N 2.95Å; I224-V226 PolarHBondContact O-N 3.32Å; V226-F229 PolarHBondContact O-N 2.95Å; V226-M230 HydrophobicContact CG1-CE 3.67Å; V226-M230 HydrophobicContact CG1-SD 4.17Å; V226-M230 WeakPolarHBondContact O-CG 3.45Å; V226-M230 PolarHBondContact O-N 3.38Å; V226-P237 HydrophobicContact CG1-CG 4.32Å; V226-P237 HydrophobicContact CG2-CG 4.16Å; V226-L277 HydrophobicContact CG2-CD2 3.96Å
227I98.1Very high95Very high0 Ų017.9 Ų17.90%010%0.096CC..Hα-helixtrans-62.1-49.1176.7-72.4161.1000110.3I135 L138 L155 L157 I160 Y204 S223 I224 F229 M230 L231I135-I227 HydrophobicContact CD1-CG2 4.16Å; L138-I227 HydrophobicContact CD2-CD1 3.97Å; L138-I227 HydrophobicContact CD2-CG2 4.25Å; L155-I227 HydrophobicContact CB-CD1 4.36Å; L157-I227 HydrophobicContact CD2-CG1 4.36Å; L157-I227 HydrophobicContact CD2-CG2 3.9Å; I160-I227 HydrophobicContact CD1-CD1 3.88Å; Y204-I227 HydrophobicContact CD1-CG1 4.19Å; Y204-I227 HydrophobicContact CE1-CG1 4.06Å; S223-I227 WeakPolarHBondContact O-CB 3.39Å; S223-I227 WeakPolarHBondContact O-CD1 3.45Å; S223-I227 VanDerWaalsContact O-CG1 3.25Å; S223-I227 WeakPolarHBondContact O-CG1 3.36Å; S223-I227 PolarHBondContact O-N 3.26Å; I224-I227 PolarHBondContact O-N 3.42Å; I227-F229 VanDerWaalsContact C-N 3.32Å; I227-F229 PolarHBondContact O-N 2.83Å; I227-M230 PolarHBondContact O-N 2.78Å; I227-M230 VanDerWaalsContact O-N 3.17Å; I227-L231 HydrophobicContact CG2-CD1 3.8Å; I227-L231 HydrophobicContact CG2-CG 4.26Å; I227-L231 VanDerWaalsContact O-CG 3.29Å; I227-L231 WeakPolarHBondContact O-CG 3.49Å; I227-L231 PolarHBondContact O-N 2.89Å
228M98.3Very high95.3Very high0 Ų016.2 Ų16.20%09%0.088CC..Hα-helixtrans-55.9-44.9177-178.7175.8172.300112.1T131 I135 I224 L231 L232 G269 V272 L273 L276 W295T131-M228 HydrophobicContact CG2-CG 3.98Å; I135-M228 HydrophobicContact CD1-CB 3.69Å; I135-M228 HydrophobicContact CD1-CG 4.41Å; I135-M228 HydrophobicContact CG1-CB 3.94Å; I135-M228 HydrophobicContact CG1-CG 4.1Å; I224-M228 WeakPolarHBondContact O-CB 3.43Å; I224-M228 PolarHBondContact O-N 2.86Å; M228-L231 PolarHBondContact O-N 3.14Å; M228-L232 HydrophobicContact CE-CD1 3.89Å; M228-L232 HydrophobicContact CG-CD1 4.06Å; M228-L232 WeakPolarHBondContact O-CG 3.48Å; M228-L232 PolarHBondContact O-N 3.26Å; M228-L232 VanDerWaalsContact O-N 3.15Å; M228-G269 WeakPolarHBondContact CE-O 3.48Å; M228-V272 HydrophobicContact CE-CG1 3.54Å; M228-V272 HydrophobicContact SD-CG1 3.91Å; M228-L273 HydrophobicContact CB-CD2 3.86Å; M228-L273 HydrophobicContact CE-CD1 4.21Å; M228-L273 HydrophobicContact CE-CG 3.88Å; M228-L273 HydrophobicContact CG-CD1 4.42Å; M228-L273 HydrophobicContact CG-CD2 3.8Å; M228-L273 HydrophobicContact CG-CG 4.06Å; M228-L273 HydrophobicContact SD-CD2 3.93Å; M228-L273 HydrophobicContact SD-CG 3.8Å; M228-L276 HydrophobicContact SD-CD1 4.17Å; M228-W295 HydrophobicContact CE-CD2 4.02Å; M228-W295 HydrophobicContact CE-CE3 3.83Å; M228-W295 HydrophobicContact CE-CH2 3.28Å; M228-W295 HydrophobicContact CE-CZ2 3.48Å; M228-W295 VanDerWaalsContact CE-CZ2 3.48Å; M228-W295 HydrophobicContact CE-CZ3 3.45Å; M228-W295 VanDerWaalsContact CE-CZ3 3.45Å; M228-W295 HydrophobicContact SD-CE3 4.39Å; M228-W295 HydrophobicContact SD-CH2 3.98Å; M228-W295 HydrophobicContact SD-CZ3 3.78Å
229F97.9Very high95.3Very high9 Ų917.7 Ų17.74%0.03910%0.099CC..Hα-helixtrans-62.6-45.2177.8-170.5-78.6000111.6G225 V226 I227 L231 L232 C233 E235 P237 V255 F257 W262 L273G225-F229 WeakPolarHBondContact O-CB 3.47Å; G225-F229 PolarHBondContact O-N 3.44Å; V226-F229 PolarHBondContact O-N 2.95Å; I227-F229 VanDerWaalsContact C-N 3.32Å; I227-F229 PolarHBondContact O-N 2.83Å; F229-L231 VanDerWaalsContact C-N 3.35Å; F229-L231 PolarHBondContact O-N 2.97Å; F229-L232 PolarHBondContact O-N 2.86Å; F229-C233 WeakPolarHBondContact CE1-SG 3.36Å; F229-C233 PolarHBondContact O-N 3.01Å; F229-C233 VanDerWaalsContact O-N 3.17Å; F229-E235 VanDerWaalsContact CD1-O 3.3Å; F229-E235 WeakPolarHBondContact CD1-O 3.41Å; F229-P237 HydrophobicContact CB-CB 4.39Å; F229-P237 HydrophobicContact CB-CG 4.29Å; F229-P237 HydrophobicContact CD1-CB 3.74Å; F229-P237 HydrophobicContact CD1-CG 4.14Å; F229-P237 HydrophobicContact CD2-CB 3.93Å; F229-P237 VanDerWaalsContact CE1-CA 3.41Å; F229-P237 HydrophobicContact CE1-CB 3.9Å; F229-P237 HydrophobicContact CE2-CB 4.1Å; F229-P237 HydrophobicContact CG-CB 3.75Å; F229-P237 HydrophobicContact CG-CG 4.14Å; F229-P237 HydrophobicContact CZ-CB 4.08Å; F229-V255 HydrophobicContact CD2-CG2 3.61Å; F229-V255 HydrophobicContact CE2-CG2 3.34Å; F229-V255 HydrophobicContact CZ-CG2 4.32Å; F229-F257 HydrophobicContact CD2-CE1 4.22Å; F229-F257 AromaticContact CE2-CD1 3.94Å; F229-F257 HydrophobicContact CE2-CD1 3.94Å; F229-F257 AromaticContact CE2-CE1 3.99Å; F229-F257 HydrophobicContact CE2-CE1 3.99Å; F229-W262 HydrophobicContact CD1-CZ2 4.1Å; F229-W262 AromaticContact CD2-CH2 3.6Å; F229-W262 HydrophobicContact CD2-CH2 3.6Å; F229-W262 AromaticContact CD2-CZ2 3.5Å; F229-W262 HydrophobicContact CD2-CZ2 3.5Å; F229-W262 AromaticContact CE1-CZ2 3.93Å; F229-W262 HydrophobicContact CE1-CZ2 3.93Å; F229-W262 AromaticContact CE2-CE2 3.96Å; F229-W262 AromaticContact CE2-CH2 3.81Å; F229-W262 HydrophobicContact CE2-CH2 3.81Å; F229-W262 AromaticContact CE2-CZ2 3.29Å; F229-W262 HydrophobicContact CE2-CZ2 3.29Å; F229-W262 HydrophobicContact CG-CH2 4.07Å; F229-W262 AromaticContact CG-CZ2 3.91Å; F229-W262 HydrophobicContact CG-CZ2 3.91Å; F229-W262 HydrophobicContact CZ-CH2 4.45Å; F229-W262 AromaticContact CZ-CZ2 3.54Å; F229-W262 HydrophobicContact CZ-CZ2 3.54Å; F229-L273 HydrophobicContact CB-CD2 3.97Å; F229-L273 HydrophobicContact CD2-CD1 4.3Å
230M97.4Very high95.1Very high11 Ų1119.2 Ų19.25%0.05411%0.109CC..Hα-helixtrans-63.9-36.2176.6-71.6174.9176.700113L120 L157 L203 Y204 V226 I227 G234 P236L120-M230 HydrophobicContact CD2-CB 4.16Å; L120-M230 WeakPolarHBondContact CD2-O 3.48Å; L157-M230 HydrophobicContact CD1-CB 4.07Å; L157-M230 HydrophobicContact CD1-CG 4.5Å; L157-M230 HydrophobicContact CD1-SD 3.61Å; L157-M230 HydrophobicContact CG-SD 4.21Å; L203-M230 HydrophobicContact CB-CE 4.28Å; Y204-M230 HydrophobicContact CD1-CE 4.33Å; Y204-M230 HydrophobicContact CD1-SD 4.44Å; Y204-M230 HydrophobicContact CE1-CE 3.74Å; Y204-M230 HydrophobicContact CE1-SD 3.51Å; Y204-M230 VanDerWaalsContact CE1-SD 3.51Å; V226-M230 HydrophobicContact CG1-CE 3.67Å; V226-M230 HydrophobicContact CG1-SD 4.17Å; V226-M230 WeakPolarHBondContact O-CG 3.45Å; V226-M230 PolarHBondContact O-N 3.38Å; I227-M230 PolarHBondContact O-N 2.78Å; I227-M230 VanDerWaalsContact O-N 3.17Å; M230-G234 VanDerWaalsContact O-CA 3.23Å; M230-G234 WeakPolarHBondContact O-CA 3.21Å; M230-G234 PolarHBondContact O-N 3.49Å; M230-P236 HydrophobicContact CE-CB 3.68Å
231L97.8Very high94.7Very high0 Ų029.3 Ų29.30%015%0.153CC..Hα-helixtrans-66.1-43.1178.1-69170.1000111.3L116 F125 F126 T131 I134 I135 L157 I227 M228 F229L116-L231 HydrophobicContact CD1-CD2 4.06Å; L116-L231 HydrophobicContact CD2-CD1 4.47Å; L116-L231 HydrophobicContact CD2-CD2 4.16Å; L116-L231 HydrophobicContact CG-CD2 4.11Å; F125-L231 CarbonylContact C-O 3.51Å; F125-L231 WeakPolarHBondContact CA-O 3.4Å; F126-L231 HydrophobicContact CD2-CB 4.19Å; F126-L231 HydrophobicContact CD2-CD2 3.42Å; F126-L231 VanDerWaalsContact CD2-CD2 3.42Å; F126-L231 HydrophobicContact CD2-CG 4.4Å; F126-L231 HydrophobicContact CE2-CD2 3.36Å; F126-L231 HydrophobicContact CG-CD2 4.21Å; F126-L231 HydrophobicContact CZ-CD2 4.09Å; F126-L231 PolarHBondContact N-O 2.87Å; T131-L231 HydrophobicContact CG2-CB 3.87Å; T131-L231 HydrophobicContact CG2-CD1 4.06Å; I134-L231 HydrophobicContact CB-CD1 4.34Å; I134-L231 HydrophobicContact CG2-CD1 3.74Å; I135-L231 HydrophobicContact CD1-CD1 4.29Å; L157-L231 HydrophobicContact CD2-CD2 4.18Å; L157-L231 HydrophobicContact CD2-CG 4.48Å; I227-L231 HydrophobicContact CG2-CD1 3.8Å; I227-L231 HydrophobicContact CG2-CG 4.26Å; I227-L231 VanDerWaalsContact O-CG 3.29Å; I227-L231 WeakPolarHBondContact O-CG 3.49Å; I227-L231 PolarHBondContact O-N 2.89Å; M228-L231 PolarHBondContact O-N 3.14Å; F229-L231 VanDerWaalsContact C-N 3.35Å; F229-L231 PolarHBondContact O-N 2.97Å
232L97.2Very high94.3Very high4 Ų430.8 Ų30.82%0.02116%0.164CC..Hα-helixtrans-73.4-30.3-178.1-67.8166.4000114E128 T131 M228 F229 W262 V265 L273E128-L232 HydrophobicContact CB-CD2 4.21Å; E128-L232 HydrophobicContact CG-CD2 4.24Å; T131-L232 HydrophobicContact CG2-CD2 4.13Å; T131-L232 HydrophobicContact CG2-CG 4.01Å; M228-L232 HydrophobicContact CE-CD1 3.89Å; M228-L232 HydrophobicContact CG-CD1 4.06Å; M228-L232 WeakPolarHBondContact O-CG 3.48Å; M228-L232 PolarHBondContact O-N 3.26Å; M228-L232 VanDerWaalsContact O-N 3.15Å; F229-L232 PolarHBondContact O-N 2.86Å; L232-W262 HydrophobicContact CB-CH2 3.95Å; L232-W262 HydrophobicContact CB-CZ3 4.27Å; L232-W262 HydrophobicContact CD1-CH2 4.09Å; L232-W262 HydrophobicContact CD1-CZ3 3.95Å; L232-V265 HydrophobicContact CB-CG2 4.46Å; L232-V265 HydrophobicContact CD1-CG1 4.26Å; L232-V265 HydrophobicContact CD2-CG2 4.3Å; L232-L273 HydrophobicContact CD1-CD1 3.92Å
233C95.4Very high93.7Very high12 Ų1235 Ų358%0.08118%0.182CC..Hα-helixtrans-131.50.9-171.595.10000116.3F229 E235 Q259 V261 W262F229-C233 WeakPolarHBondContact CE1-SG 3.36Å; F229-C233 PolarHBondContact O-N 3.01Å; F229-C233 VanDerWaalsContact O-N 3.17Å; C233-E235 PolarHBondContact O-N 3.02Å; C233-E235 VanDerWaalsContact O-N 3.15Å; C233-Q259 VanDerWaalsContact CB-OE1 3.27Å; C233-Q259 PolarHBondContact O-OE1 2.65Å; C233-Q259 PolarHBondContact SG-OE1 2.74Å; C233-V261 HydrophobicContact CB-CG1 3.59Å; C233-W262 HydrophobicContact CB-CZ2 3.6Å
234G94.9Very high93.2Very high36 Ų3640.3 Ų40.337%0.37121%0.206SC..SBendtrans73.1-3.8176.700000116.4K124 M230K124-G234 VanDerWaalsContact O-CA 3.28Å; K124-G234 WeakPolarHBondContact O-CA 3.18Å; M230-G234 VanDerWaalsContact O-CA 3.23Å; M230-G234 WeakPolarHBondContact O-CA 3.21Å; M230-G234 PolarHBondContact O-N 3.49Å
235E92.9Very high92.8Very high115 Ų11548.1 Ų48.154%0.53724%0.236SC..SBendtrans-126.4155.7-177.7-69.5-157.6141.300112.6F229 C233 Q259F229-E235 VanDerWaalsContact CD1-O 3.3Å; F229-E235 WeakPolarHBondContact CD1-O 3.41Å; C233-E235 PolarHBondContact O-N 3.02Å; C233-E235 VanDerWaalsContact O-N 3.15Å; E235-Q259 PolarHBondContact OE2-NE2 3.07Å
236P93.2Very high92.3Very high34 Ų3448.4 Ų48.422%0.22124%0.237CC..  trans-67.2145.1171.726.2-34.3000112.8L203 M230 F238 H239L203-P236 HydrophobicContact CD1-CB 4.4Å; L203-P236 HydrophobicContact CD2-CB 4.15Å; L203-P236 HydrophobicContact CD2-CG 4.4Å; M230-P236 HydrophobicContact CE-CB 3.68Å; P236-F238 PolarHBondContact O-N 3.19Å; P236-F238 VanDerWaalsContact O-N 3.16Å; P236-H239 HydrophobicContact CG-CB 4.31Å
237P93.3Very high91.8Very high21 Ų2150 Ų5014%0.13625%0.247CC..SBendtrans-62.2-24.8174.624-31.9000113.1V226 F229 V255 L277V226-P237 HydrophobicContact CG1-CG 4.32Å; V226-P237 HydrophobicContact CG2-CG 4.16Å; F229-P237 HydrophobicContact CB-CB 4.39Å; F229-P237 HydrophobicContact CB-CG 4.29Å; F229-P237 HydrophobicContact CD1-CB 3.74Å; F229-P237 HydrophobicContact CD1-CG 4.14Å; F229-P237 HydrophobicContact CD2-CB 3.93Å; F229-P237 VanDerWaalsContact CE1-CA 3.41Å; F229-P237 HydrophobicContact CE1-CB 3.9Å; F229-P237 HydrophobicContact CE2-CB 4.1Å; F229-P237 HydrophobicContact CG-CB 3.75Å; F229-P237 HydrophobicContact CG-CG 4.14Å; F229-P237 HydrophobicContact CZ-CB 4.08Å; P237-V255 HydrophobicContact CB-CG2 4.16Å; P237-L277 HydrophobicContact CB-CD1 4.34Å; P237-L277 HydrophobicContact CG-CD1 4.41Å
238F91.6Very high91.3Very high8 Ų856.5 Ų56.54%0.03527%0.272CS..SBendtrans-129.6112.3178.6-50.8-71.7000110.7L203 W222 P236 L246 K249 I250 K253L203-F238 WeakPolarHBondContact CD2-O 3.46Å; W222-F238 AromaticContact CH2-CE2 3.75Å; W222-F238 HydrophobicContact CH2-CE2 3.75Å; W222-F238 HydrophobicContact CH2-CZ 4.1Å; W222-F238 HydrophobicContact CZ2-CD2 4.22Å; W222-F238 AromaticContact CZ2-CE2 3.55Å; W222-F238 HydrophobicContact CZ2-CE2 3.55Å; W222-F238 HydrophobicContact CZ2-CZ 4.35Å; P236-F238 PolarHBondContact O-N 3.19Å; P236-F238 VanDerWaalsContact O-N 3.16Å; F238-L246 HydrophobicContact CB-CD1 3.84Å; F238-L246 WeakPolarHBondContact O-CD1 3.43Å; F238-K249 HydrophobicContact CB-CB 4.47Å; F238-K249 HydrophobicContact CD1-CB 4.12Å; F238-I250 HydrophobicContact CB-CD1 4.39Å; F238-I250 HydrophobicContact CB-CG1 3.77Å; F238-I250 HydrophobicContact CD2-CG1 3.66Å; F238-I250 HydrophobicContact CE2-CG1 4.41Å; F238-I250 HydrophobicContact CG-CG1 3.73Å; F238-K253 HydrophobicContact CE1-CB 4.49Å; F238-K253 WeakPolarHBondContact CE1-O 3.3Å
239H88.1Confident90.9Very high115 Ų11560 Ų6053%0.53229%0.287SS..  trans-119.6142.9172.4177.877000112.2P236 K249P236-H239 HydrophobicContact CG-CB 4.31Å; H239-K249 WeakPolarHBondContact O-CD 3.46Å; H239-K249 WeakPolarHBondContact O-CE 3.29Å; H239-K249 PolarHBondContact O-NZ 2.99Å
240S86.8Confident90.4Very high33 Ų3359.6 Ų59.623%0.23129%0.285CS..  trans-157.4156.8163.9-153.30000112.8S242 R245S240-S242 VanDerWaalsContact C-N 3.3Å; S240-S242 PolarHBondContact O-N 2.8Å; S240-R245 VanDerWaalsContact OG-CB 3.29Å; S240-R245 WeakPolarHBondContact OG-CB 3.33Å
241K84.8Confident89.8Confident212 Ų21262.8 Ų62.892%0.92230%0.301SS*.SBendtrans-77.5-8.4175-63-171.9178.6-175.20114.3
242S87.5Confident89Confident33 Ų3372.3 Ų72.323%0.23134%0.337CS..SBendtrans-128.3142.6173.6117.80000110.2S240 E244 R245 L246S240-S242 VanDerWaalsContact C-N 3.3Å; S240-S242 PolarHBondContact O-N 2.8Å; S242-E244 VanDerWaalsContact C-N 3.32Å; S242-E244 VanDerWaalsContact CB-OE2 3.27Å; S242-E244 WeakPolarHBondContact CB-OE2 3.38Å; S242-E244 PolarHBondContact O-N 3.15Å; S242-E244 PolarHBondContact OG-OE2 3.48Å; S242-R245 PolarHBondContact O-N 3.29Å; S242-R245 WeakPolarHBondContact OG-CG 3.47Å; S242-R245 PolarHBondContact OG-N 3.1Å; S242-R245 VanDerWaalsContact OG-N 3.16Å; S242-L246 PolarHBondContact O-N 3.01Å
243K84Confident87.8Confident89 Ų8977.7 Ų77.739%0.38736%0.36SS..Hα-helixtrans-62.9-40.4-178.3168.4170.7175.6172.70111.1L202 R245 L246 V247L202-K243 HydrophobicContact CD1-CD 3.67Å; L202-K243 HydrophobicContact CD1-CG 3.68Å; K243-R245 PolarHBondContact O-N 2.82Å; K243-L246 WeakPolarHBondContact O-CB 3.23Å; K243-L246 PolarHBondContact O-N 3.49Å; K243-V247 HydrophobicContact CG-CG2 4.44Å; K243-V247 WeakPolarHBondContact O-CB 2.9Å; K243-V247 VanDerWaalsContact O-CG2 3.27Å; K243-V247 WeakPolarHBondContact O-CG2 3.41Å; K243-V247 PolarHBondContact O-N 3.16Å
244E85.7Confident86.9Confident114 Ų11485.1 Ų85.153%0.53339%0.393SS..Hα-helixtrans-66.4-38.7-180-46.264-125.600110.8S242 R248S242-E244 VanDerWaalsContact C-N 3.32Å; S242-E244 VanDerWaalsContact CB-OE2 3.27Å; S242-E244 WeakPolarHBondContact CB-OE2 3.38Å; S242-E244 PolarHBondContact O-N 3.15Å; S242-E244 PolarHBondContact OG-OE2 3.48Å; E244-R248 VanDerWaalsContact O-CB 3.26Å; E244-R248 WeakPolarHBondContact O-CB 3.49Å; E244-R248 PolarHBondContact O-N 3.24Å
245R88Confident86.5Confident164 Ų16484.1 Ų84.162%0.61938%0.38SS*.Hα-helixtrans-72.6-32.7174.5-68.4177.9-174.2-156.81.4112.1S240 S242 K243 K249S240-R245 VanDerWaalsContact OG-CB 3.29Å; S240-R245 WeakPolarHBondContact OG-CB 3.33Å; S242-R245 PolarHBondContact O-N 3.29Å; S242-R245 WeakPolarHBondContact OG-CG 3.47Å; S242-R245 PolarHBondContact OG-N 3.1Å; S242-R245 VanDerWaalsContact OG-N 3.16Å; K243-R245 PolarHBondContact O-N 2.82Å; R245-K249 WeakPolarHBondContact O-CG 3.42Å; R245-K249 PolarHBondContact O-N 3.47Å; R245-K249 VanDerWaalsContact O-N 3.13Å
246L88.9Confident86.3Confident6 Ų685.7 Ų85.73%0.03139%0.385CS..Hα-helixtrans-68.2-52.9173.8175.460.3000111.3L202 L203 F238 S242 K243 R248 K249 I250L202-L246 HydrophobicContact CB-CD2 4.22Å; L203-L246 HydrophobicContact CD2-CD1 4.12Å; L203-L246 HydrophobicContact CD2-CD2 3.87Å; F238-L246 HydrophobicContact CB-CD1 3.84Å; F238-L246 WeakPolarHBondContact O-CD1 3.43Å; S242-L246 PolarHBondContact O-N 3.01Å; K243-L246 WeakPolarHBondContact O-CB 3.23Å; K243-L246 PolarHBondContact O-N 3.49Å; L246-R248 VanDerWaalsContact C-N 3.28Å; L246-R248 PolarHBondContact O-N 3.22Å; L246-K249 WeakPolarHBondContact O-CA 3.48Å; L246-K249 WeakPolarHBondContact O-CB 3.5Å; L246-K249 PolarHBondContact O-N 2.93Å; L246-I250 HydrophobicContact CD1-CD1 3.91Å; L246-I250 HydrophobicContact CD1-CG1 4.39Å; L246-I250 HydrophobicContact CG-CD1 3.97Å; L246-I250 PolarHBondContact O-N 2.92Å
247V86.8Confident86.3Confident35 Ų3586.9 Ų86.921%0.21239%0.387CS..Hα-helixtrans-53.9-45.6174.7170.90000110.5M210 K243 K249 I250 M251M210-V247 HydrophobicContact SD-CB 4.17Å; M210-V247 HydrophobicContact SD-CG1 3.91Å; M210-V247 HydrophobicContact SD-CG2 3.8Å; K243-V247 HydrophobicContact CG-CG2 4.44Å; K243-V247 WeakPolarHBondContact O-CB 2.9Å; K243-V247 VanDerWaalsContact O-CG2 3.27Å; K243-V247 WeakPolarHBondContact O-CG2 3.41Å; K243-V247 PolarHBondContact O-N 3.16Å; V247-K249 VanDerWaalsContact C-N 3.29Å; V247-K249 PolarHBondContact O-N 3.14Å; V247-I250 PolarHBondContact O-N 3.43Å; V247-M251 HydrophobicContact CG1-CG 4.19Å; V247-M251 HydrophobicContact CG1-SD 3.61Å; V247-M251 WeakPolarHBondContact O-CB 3.48Å; V247-M251 WeakPolarHBondContact O-CG 3.47Å; V247-M251 PolarHBondContact O-N 3Å
248R87.9Confident86.1Confident135 Ų13591.7 Ų91.751%0.50942%0.416SS..Hα-helixtrans-65.5-26.1176.7-165.5-175.2-55.7140.96.3114E244 L246 R252E244-R248 VanDerWaalsContact O-CB 3.26Å; E244-R248 WeakPolarHBondContact O-CB 3.49Å; E244-R248 PolarHBondContact O-N 3.24Å; L246-R248 VanDerWaalsContact C-N 3.28Å; L246-R248 PolarHBondContact O-N 3.22Å; R248-R252 WeakPolarHBondContact O-CB 3.5Å; R248-R252 PolarHBondContact O-N 3.39Å
249K89Confident86.1Confident75 Ų7593.7 Ų93.733%0.32643%0.426SS..Hα-helixtrans-70.2-53.9169.6-78.7-175.9172.8-168.20110F238 H239 R245 L246 V247 M251 R252 K253F238-K249 HydrophobicContact CB-CB 4.47Å; F238-K249 HydrophobicContact CD1-CB 4.12Å; H239-K249 WeakPolarHBondContact O-CD 3.46Å; H239-K249 WeakPolarHBondContact O-CE 3.29Å; H239-K249 PolarHBondContact O-NZ 2.99Å; R245-K249 WeakPolarHBondContact O-CG 3.42Å; R245-K249 PolarHBondContact O-N 3.47Å; R245-K249 VanDerWaalsContact O-N 3.13Å; L246-K249 WeakPolarHBondContact O-CA 3.48Å; L246-K249 WeakPolarHBondContact O-CB 3.5Å; L246-K249 PolarHBondContact O-N 2.93Å; V247-K249 VanDerWaalsContact C-N 3.29Å; V247-K249 PolarHBondContact O-N 3.14Å; K249-M251 VanDerWaalsContact C-N 3.3Å; K249-M251 PolarHBondContact O-N 2.88Å; K249-R252 PolarHBondContact O-N 3.37Å; K249-R252 VanDerWaalsContact O-N 3.13Å; K249-K253 HydrophobicContact CG-CD 4.4Å; K249-K253 WeakPolarHBondContact O-CB 3.43Å; K249-K253 PolarHBondContact O-N 2.85Å
250I88.2Confident86.3Confident0 Ų093.9 Ų93.90%044%0.437CS..Hα-helixtrans-55.2-43.1-178.7-71.4168000111.8L202 P207 M210 W222 F238 L246 V247L202-I250 WeakPolarHBondContact O-CD1 3.4Å; P207-I250 HydrophobicContact CB-CG2 4.28Å; P207-I250 HydrophobicContact CG-CG2 3.78Å; M210-I250 HydrophobicContact CE-CD1 3.7Å; M210-I250 HydrophobicContact CE-CG2 4.05Å; M210-I250 HydrophobicContact SD-CB 4.48Å; M210-I250 HydrophobicContact SD-CG2 4Å; W222-I250 HydrophobicContact CH2-CG2 4.39Å; W222-I250 HydrophobicContact CZ2-CG2 3.87Å; F238-I250 HydrophobicContact CB-CD1 4.39Å; F238-I250 HydrophobicContact CB-CG1 3.77Å; F238-I250 HydrophobicContact CD2-CG1 3.66Å; F238-I250 HydrophobicContact CE2-CG1 4.41Å; F238-I250 HydrophobicContact CG-CG1 3.73Å; L246-I250 HydrophobicContact CD1-CD1 3.91Å; L246-I250 HydrophobicContact CD1-CG1 4.39Å; L246-I250 HydrophobicContact CG-CD1 3.97Å; L246-I250 PolarHBondContact O-N 2.92Å; V247-I250 PolarHBondContact O-N 3.43Å
251M84.8Confident86.6Confident77 Ų7794 Ų9438%0.37944%0.436SS..THydrogen-bonded Turntrans-80.3-10.7-179.4-64.6-178.976.600115.7P207 S211 V247 K249P207-M251 HydrophobicContact CB-CG 4.4Å; S211-M251 WeakPolarHBondContact OG-CE 3.38Å; V247-M251 HydrophobicContact CG1-CG 4.19Å; V247-M251 HydrophobicContact CG1-SD 3.61Å; V247-M251 WeakPolarHBondContact O-CB 3.48Å; V247-M251 WeakPolarHBondContact O-CG 3.47Å; V247-M251 PolarHBondContact O-N 3Å; K249-M251 VanDerWaalsContact C-N 3.3Å; K249-M251 PolarHBondContact O-N 2.88Å
252R79.3Confident87.1Confident200 Ų20084.3 Ų84.376%0.75539%0.394SS*.THydrogen-bonded Turntrans-143.33.9-169.2-54.7-171.6-179.5-173.7-2116.2R248 K249R248-R252 WeakPolarHBondContact O-CB 3.5Å; R248-R252 PolarHBondContact O-N 3.39Å; K249-R252 PolarHBondContact O-N 3.37Å; K249-R252 VanDerWaalsContact O-N 3.13Å
253K72.7Confident87.4Confident118 Ų11887 Ų8751%0.51342%0.418SS..  trans-128.4126.1178.4-62.1-157.1176.4-148.80110.4F238 K249F238-K253 HydrophobicContact CE1-CB 4.49Å; F238-K253 WeakPolarHBondContact CE1-O 3.3Å; K249-K253 HydrophobicContact CG-CD 4.4Å; K249-K253 WeakPolarHBondContact O-CB 3.43Å; K249-K253 PolarHBondContact O-N 2.85Å
254Q77.4Confident87.8Confident167 Ų16788.3 Ų88.378%0.7843%0.434SS*.  trans-55.6151.7158.2-66.3172.3-9.700109.8
255V86.4Confident88.2Confident15 Ų1583.3 Ų83.39%0.09141%0.411CS..  trans-57.1150.1172.763.30000111F229 P237 F257 T274 L277F229-V255 HydrophobicContact CD2-CG2 3.61Å; F229-V255 HydrophobicContact CE2-CG2 3.34Å; F229-V255 HydrophobicContact CZ-CG2 4.32Å; P237-V255 HydrophobicContact CB-CG2 4.16Å; V255-F257 HydrophobicContact CG1-CE1 4.21Å; V255-F257 HydrophobicContact CG1-CE2 4.28Å; V255-F257 HydrophobicContact CG1-CZ 3.72Å; V255-F257 HydrophobicContact CG2-CD1 4.47Å; V255-F257 HydrophobicContact CG2-CE1 3.9Å; V255-F257 HydrophobicContact CG2-CZ 4.27Å; V255-T274 HydrophobicContact CG1-CG2 3.96Å; V255-L277 HydrophobicContact CB-CD1 3.96Å; V255-L277 HydrophobicContact CG1-CD1 4.39Å; V255-L277 HydrophobicContact CG2-CD1 3.91Å
256K88.6Confident88.5Confident149 Ų14977.8 Ų77.865%0.64840%0.397SS*.  trans-134.2130178-66.9-156.7170.7-142.20111.9T258K256-T258 HydrophobicContact CB-CG2 4.1Å; K256-T258 PolarHBondContact O-N 3.44Å
257F92.9Very high88.7Confident59 Ų5983 Ų8326%0.25943%0.425SS..  trans-96.763.3-174.8-53.2-60.4000111.2F229 V255 W262 K270 L273 T274F229-F257 HydrophobicContact CD2-CE1 4.22Å; F229-F257 AromaticContact CE2-CD1 3.94Å; F229-F257 HydrophobicContact CE2-CD1 3.94Å; F229-F257 AromaticContact CE2-CE1 3.99Å; F229-F257 HydrophobicContact CE2-CE1 3.99Å; V255-F257 HydrophobicContact CG1-CE1 4.21Å; V255-F257 HydrophobicContact CG1-CE2 4.28Å; V255-F257 HydrophobicContact CG1-CZ 3.72Å; V255-F257 HydrophobicContact CG2-CD1 4.47Å; V255-F257 HydrophobicContact CG2-CE1 3.9Å; V255-F257 HydrophobicContact CG2-CZ 4.27Å; F257-W262 HydrophobicContact CB-CB 3.82Å; F257-W262 HydrophobicContact CB-CD2 3.93Å; F257-W262 HydrophobicContact CB-CE3 4.38Å; F257-W262 HydrophobicContact CB-CG 3.64Å; F257-W262 AromaticContact CD1-CD2 3.61Å; F257-W262 HydrophobicContact CD1-CD2 3.61Å; F257-W262 AromaticContact CD1-CE2 3.9Å; F257-W262 AromaticContact CD1-CE3 3.53Å; F257-W262 HydrophobicContact CD1-CE3 3.53Å; F257-W262 HydrophobicContact CD1-CG 4.26Å; F257-W262 HydrophobicContact CD1-CH2 4.07Å; F257-W262 HydrophobicContact CD1-CZ2 4.14Å; F257-W262 AromaticContact CD1-CZ3 3.77Å; F257-W262 HydrophobicContact CD1-CZ3 3.77Å; F257-W262 HydrophobicContact CE1-CE3 4.14Å; F257-W262 HydrophobicContact CE1-CH2 4.2Å; F257-W262 AromaticContact CE1-CZ3 3.94Å; F257-W262 HydrophobicContact CE1-CZ3 3.94Å; F257-W262 HydrophobicContact CG-CD2 4.17Å; F257-W262 HydrophobicContact CG-CE3 4.21Å; F257-W262 HydrophobicContact CG-CG 4.39Å; F257-K270 HydrophobicContact CD2-CB 4.31Å; F257-K270 HydrophobicContact CD2-CG 4.26Å; F257-K270 HydrophobicContact CE2-CB 3.88Å; F257-K270 HydrophobicContact CE2-CG 4.28Å; F257-K270 HydrophobicContact CG-CG 4.44Å; F257-K270 HydrophobicContact CZ-CB 4.1Å; F257-K270 HydrophobicContact CZ-CG 4.48Å; F257-L273 HydrophobicContact CE1-CB 4.27Å; F257-L273 HydrophobicContact CE1-CD1 4.02Å; F257-L273 HydrophobicContact CZ-CB 4.12Å; F257-T274 HydrophobicContact CE2-CG2 3.9Å; F257-T274 HydrophobicContact CZ-CG2 3.99Å
258T89.2Confident89Confident122 Ų12282.3 Ų82.375%0.74843%0.426SS*.  trans-95.4-7.9-168.855.30000115.8K256K256-T258 HydrophobicContact CB-CG2 4.1Å; K256-T258 PolarHBondContact O-N 3.44Å
259Q91.4Very high89.3Confident49 Ų4975.9 Ų75.923%0.22940%0.401CS..SBendtrans-83.6151.3176-60.7179.7-3.600111.3C233 E235 V261 W262C233-Q259 VanDerWaalsContact CB-OE1 3.27Å; C233-Q259 PolarHBondContact O-OE1 2.65Å; C233-Q259 PolarHBondContact SG-OE1 2.74Å; E235-Q259 PolarHBondContact OE2-NE2 3.07Å; Q259-V261 VanDerWaalsContact C-N 3.25Å; Q259-V261 HydrophobicContact CB-CG1 4.13Å; Q259-V261 PolarHBondContact O-N 3.11Å; Q259-V261 VanDerWaalsContact O-N 3.16Å; Q259-W262 PolarHBondContact O-N 3.09Å; Q259-W262 VanDerWaalsContact O-N 3.12Å
260P93.3Very high89.6Confident120 Ų12074.1 Ų74.178%0.77939%0.394SS*.G310 helixtrans-57.4-30.5-179.2-27.636.1000115.5W262 A263P260-W262 PolarHBondContact O-N 2.7Å; P260-A263 VanDerWaalsContact O-CB 3.28Å; P260-A263 WeakPolarHBondContact O-CB 3.41Å; P260-A263 PolarHBondContact O-N 2.91Å
261V92.5Very high89.9Confident34 Ų3476.8 Ų76.821%0.20640%0.404CS..G310 helixtrans-61-23.2178.565.70000113.3C233 Q259 A263 T264C233-V261 HydrophobicContact CB-CG1 3.59Å; Q259-V261 VanDerWaalsContact C-N 3.25Å; Q259-V261 HydrophobicContact CB-CG1 4.13Å; Q259-V261 PolarHBondContact O-N 3.11Å; Q259-V261 VanDerWaalsContact O-N 3.16Å; V261-A263 PolarHBondContact O-N 2.82Å; V261-T264 PolarHBondContact O-N 3.13Å; V261-T264 PolarHBondContact O-OG1 3.4Å
262W94.8Very high90.4Very high9 Ų973.1 Ų73.13%0.03439%0.386CS..G310 helixtrans-70.2-9.9174.9-63101.8000113.7F229 L232 C233 F257 Q259 P260 T264 V265 K270 L273F229-W262 HydrophobicContact CD1-CZ2 4.1Å; F229-W262 AromaticContact CD2-CH2 3.6Å; F229-W262 HydrophobicContact CD2-CH2 3.6Å; F229-W262 AromaticContact CD2-CZ2 3.5Å; F229-W262 HydrophobicContact CD2-CZ2 3.5Å; F229-W262 AromaticContact CE1-CZ2 3.93Å; F229-W262 HydrophobicContact CE1-CZ2 3.93Å; F229-W262 AromaticContact CE2-CE2 3.96Å; F229-W262 AromaticContact CE2-CH2 3.81Å; F229-W262 HydrophobicContact CE2-CH2 3.81Å; F229-W262 AromaticContact CE2-CZ2 3.29Å; F229-W262 HydrophobicContact CE2-CZ2 3.29Å; F229-W262 HydrophobicContact CG-CH2 4.07Å; F229-W262 AromaticContact CG-CZ2 3.91Å; F229-W262 HydrophobicContact CG-CZ2 3.91Å; F229-W262 HydrophobicContact CZ-CH2 4.45Å; F229-W262 AromaticContact CZ-CZ2 3.54Å; F229-W262 HydrophobicContact CZ-CZ2 3.54Å; L232-W262 HydrophobicContact CB-CH2 3.95Å; L232-W262 HydrophobicContact CB-CZ3 4.27Å; L232-W262 HydrophobicContact CD1-CH2 4.09Å; L232-W262 HydrophobicContact CD1-CZ3 3.95Å; C233-W262 HydrophobicContact CB-CZ2 3.6Å; F257-W262 HydrophobicContact CB-CB 3.82Å; F257-W262 HydrophobicContact CB-CD2 3.93Å; F257-W262 HydrophobicContact CB-CE3 4.38Å; F257-W262 HydrophobicContact CB-CG 3.64Å; F257-W262 AromaticContact CD1-CD2 3.61Å; F257-W262 HydrophobicContact CD1-CD2 3.61Å; F257-W262 AromaticContact CD1-CE2 3.9Å; F257-W262 AromaticContact CD1-CE3 3.53Å; F257-W262 HydrophobicContact CD1-CE3 3.53Å; F257-W262 HydrophobicContact CD1-CG 4.26Å; F257-W262 HydrophobicContact CD1-CH2 4.07Å; F257-W262 HydrophobicContact CD1-CZ2 4.14Å; F257-W262 AromaticContact CD1-CZ3 3.77Å; F257-W262 HydrophobicContact CD1-CZ3 3.77Å; F257-W262 HydrophobicContact CE1-CE3 4.14Å; F257-W262 HydrophobicContact CE1-CH2 4.2Å; F257-W262 AromaticContact CE1-CZ3 3.94Å; F257-W262 HydrophobicContact CE1-CZ3 3.94Å; F257-W262 HydrophobicContact CG-CD2 4.17Å; F257-W262 HydrophobicContact CG-CE3 4.21Å; F257-W262 HydrophobicContact CG-CG 4.39Å; Q259-W262 PolarHBondContact O-N 3.09Å; Q259-W262 VanDerWaalsContact O-N 3.12Å; P260-W262 PolarHBondContact O-N 2.7Å; W262-T264 VanDerWaalsContact C-N 3.32Å; W262-V265 HydrophobicContact CE3-CB 4.09Å; W262-V265 HydrophobicContact CE3-CG1 4.23Å; W262-V265 HydrophobicContact CE3-CG2 3.93Å; W262-V265 HydrophobicContact CZ3-CB 4.49Å; W262-V265 HydrophobicContact CZ3-CG1 4.21Å; W262-V265 HydrophobicContact CZ3-CG2 4.22Å; W262-K270 HydrophobicContact CE3-CG 4.4Å; W262-K270 WeakPolarHBondContact O-CE 3.34Å; W262-K270 PolarHBondContact O-NZ 3Å; W262-L273 HydrophobicContact CH2-CD1 3.54Å; W262-L273 HydrophobicContact CZ3-CD1 3.53Å
263A92.9Very high91.2Very high90 Ų9063.6 Ų63.674%0.74435%0.35SS*.G310 helixtrans-75.1-19.916800000113.1P260 V261P260-A263 VanDerWaalsContact O-CB 3.28Å; P260-A263 WeakPolarHBondContact O-CB 3.41Å; P260-A263 PolarHBondContact O-N 2.91Å; V261-A263 PolarHBondContact O-N 2.82Å
264T92.5Very high92.2Very high116 Ų11660.4 Ų60.471%0.71234%0.341SS*.SBendtrans-100.7-217759.10000113.7V261 W262V261-T264 PolarHBondContact O-N 3.13Å; V261-T264 PolarHBondContact O-OG1 3.4Å; W262-T264 VanDerWaalsContact C-N 3.32Å
265V94.9Very high93Very high10 Ų1052.5 Ų52.56%0.06130%0.304CS..SBendtrans-91139.2173.1-179.30000109E128 L232 W262 K270E128-V265 VanDerWaalsContact OE2-CA 3.32Å; E128-V265 WeakPolarHBondContact OE2-CA 3.27Å; L232-V265 HydrophobicContact CB-CG2 4.46Å; L232-V265 HydrophobicContact CD1-CG1 4.26Å; L232-V265 HydrophobicContact CD2-CG2 4.3Å; W262-V265 HydrophobicContact CE3-CB 4.09Å; W262-V265 HydrophobicContact CE3-CG1 4.23Å; W262-V265 HydrophobicContact CE3-CG2 3.93Å; W262-V265 HydrophobicContact CZ3-CB 4.49Å; W262-V265 HydrophobicContact CZ3-CG1 4.21Å; W262-V265 HydrophobicContact CZ3-CG2 4.22Å; V265-K270 HydrophobicContact CG1-CG 4.4Å; V265-K270 WeakPolarHBondContact O-CE 3.29Å; V265-K270 PolarHBondContact O-NZ 2.9Å
266S94.9Very high93.5Very high47 Ų4751.8 Ų51.833%0.32930%0.299SS..  trans-65155.2176.576.60000112.4E128 G268 G269 K270E128-S266 WeakPolarHBondContact OE1-CB 3.4Å; E128-S266 PolarHBondContact OE1-OG 3.44Å; E128-S266 PolarHBondContact OE2-N 3.25Å; S266-G268 VanDerWaalsContact C-N 3.27Å; S266-G268 PolarHBondContact O-N 3.34Å; S266-G269 PolarHBondContact O-N 2.93Å; S266-G269 VanDerWaalsContact O-N 3.14Å; S266-G269 PolarHBondContact OG-N 3.37Å; S266-K270 PolarHBondContact O-N 2.84Å
267D92.5Very high93.8Very high116 Ų11645 Ų4562%0.6227%0.27SS*.Hα-helixtrans-69.7-26176.3-62.5-47000112.3K270 Y271D267-K270 PolarHBondContact O-N 3.02Å; D267-K270 WeakPolarHBondContact OD1-CD 3.47Å; D267-K270 WeakPolarHBondContact OD1-CE 3.45Å; D267-K270 IonicContact OD1-NZ 2.74Å; D267-K270 PolarHBondContact OD1-NZ 2.7Å; D267-Y271 VanDerWaalsContact O-CB 3.23Å; D267-Y271 WeakPolarHBondContact O-CB 3.43Å; D267-Y271 PolarHBondContact O-N 3.04Å
268G92.9Very high93.8Very high21 Ų2144.7 Ų44.722%0.21627%0.268CS..Hα-helixtrans-63.5-38.9167.400000113S266 Y271 V272S266-G268 VanDerWaalsContact C-N 3.27Å; S266-G268 PolarHBondContact O-N 3.34Å; G268-Y271 PolarHBondContact O-N 3.37Å; G268-V272 PolarHBondContact O-N 3.07Å
269G94.4Very high93.9Very high0 Ų041.2 Ų41.20%025%0.247CC..Hα-helixtrans-68-35.9174.500000113.2M228 S266 L273 W295M228-G269 WeakPolarHBondContact CE-O 3.48Å; S266-G269 PolarHBondContact O-N 2.93Å; S266-G269 VanDerWaalsContact O-N 3.14Å; S266-G269 PolarHBondContact OG-N 3.37Å; G269-L273 WeakPolarHBondContact O-CG 3.31Å; G269-L273 PolarHBondContact O-N 3.35Å; G269-W295 VanDerWaalsContact CA-CD1 3.44Å; G269-W295 VanDerWaalsContact N-CD1 3.28Å
270K95.4Very high93.7Very high38 Ų3842.8 Ų42.817%0.16526%0.257CS..Hα-helixtrans-69.5-43.2171.5-65163.7-147.11580111.3F257 W262 V265 S266 D267 L273 T274F257-K270 HydrophobicContact CD2-CB 4.31Å; F257-K270 HydrophobicContact CD2-CG 4.26Å; F257-K270 HydrophobicContact CE2-CB 3.88Å; F257-K270 HydrophobicContact CE2-CG 4.28Å; F257-K270 HydrophobicContact CG-CG 4.44Å; F257-K270 HydrophobicContact CZ-CB 4.1Å; F257-K270 HydrophobicContact CZ-CG 4.48Å; W262-K270 HydrophobicContact CE3-CG 4.4Å; W262-K270 WeakPolarHBondContact O-CE 3.34Å; W262-K270 PolarHBondContact O-NZ 3Å; V265-K270 HydrophobicContact CG1-CG 4.4Å; V265-K270 WeakPolarHBondContact O-CE 3.29Å; V265-K270 PolarHBondContact O-NZ 2.9Å; S266-K270 PolarHBondContact O-N 2.84Å; D267-K270 PolarHBondContact O-N 3.02Å; D267-K270 WeakPolarHBondContact OD1-CD 3.47Å; D267-K270 WeakPolarHBondContact OD1-CE 3.45Å; D267-K270 IonicContact OD1-NZ 2.74Å; D267-K270 PolarHBondContact OD1-NZ 2.7Å; K270-L273 WeakPolarHBondContact O-CB 3.3Å; K270-L273 PolarHBondContact O-N 2.88Å; K270-T274 WeakPolarHBondContact O-CG2 3.45Å; K270-T274 PolarHBondContact O-N 3.19Å
271Y93.6Very high93.5Very high56 Ų5637.7 Ų37.722%0.2222%0.224CC..Hα-helixtrans-60.2-53.9-179.6179.3-91.9000111D267 G268 L273 T274 C275 H293 L304 G305 S307D267-Y271 VanDerWaalsContact O-CB 3.23Å; D267-Y271 WeakPolarHBondContact O-CB 3.43Å; D267-Y271 PolarHBondContact O-N 3.04Å; G268-Y271 PolarHBondContact O-N 3.37Å; Y271-L273 VanDerWaalsContact C-N 3.27Å; Y271-L273 PolarHBondContact O-N 3.17Å; Y271-T274 WeakPolarHBondContact O-CA 3.39Å; Y271-T274 PolarHBondContact O-N 3.42Å; Y271-T274 PolarHBondContact O-OG1 3.34Å; Y271-C275 PolarHBondContact O-N 3.16Å; Y271-C275 VanDerWaalsContact O-N 3.13Å; Y271-C275 PolarHBondContact O-SG 2.85Å; Y271-H293 AromaticContact CD1-NE2 3.49Å; Y271-H293 WeakPolarHBondContact CD1-NE2 3.19Å; Y271-H293 AromaticContact CE1-NE2 3.63Å; Y271-L304 HydrophobicContact CD1-CD1 4.42Å; Y271-L304 HydrophobicContact CD1-CD2 4.15Å; Y271-L304 HydrophobicContact CD2-CD1 4.45Å; Y271-L304 HydrophobicContact CE1-CD2 4.36Å; Y271-L304 HydrophobicContact CG-CD1 4.18Å; Y271-G305 PolarHBondContact OH-O 3.25Å; Y271-S307 WeakPolarHBondContact CE1-OG 3.49Å; Y271-S307 PolarHBondContact OH-OG 2.98Å
272V95.5Very high93.3Very high0 Ų038.4 Ų38.40%023%0.233CC..Hα-helixtrans-60-37179.374.40000112M228 G268 T274 C275 L276 L285 L290 W295M228-V272 HydrophobicContact CE-CG1 3.54Å; M228-V272 HydrophobicContact SD-CG1 3.91Å; G268-V272 PolarHBondContact O-N 3.07Å; V272-T274 PolarHBondContact O-N 2.87Å; V272-C275 PolarHBondContact O-N 2.92Å; V272-C275 VanDerWaalsContact O-N 3.09Å; V272-L276 HydrophobicContact CG2-CD1 4.32Å; V272-L276 HydrophobicContact CG2-CG 4.44Å; V272-L276 WeakPolarHBondContact O-CG 3.45Å; V272-L276 PolarHBondContact O-N 2.73Å; V272-L285 HydrophobicContact CG2-CD2 4.02Å; V272-L290 HydrophobicContact CG2-CD1 3.61Å; V272-W295 HydrophobicContact CB-CB 4.48Å; V272-W295 HydrophobicContact CG1-CB 4.21Å; V272-W295 HydrophobicContact CG1-CD2 3.87Å; V272-W295 HydrophobicContact CG1-CE3 3.74Å; V272-W295 HydrophobicContact CG1-CG 4.06Å; V272-W295 HydrophobicContact CG1-CZ3 4.47Å
273L95.9Very high93Very high0 Ų040.9 Ų40.90%024%0.243CC..Hα-helixtrans-59.6-40.4171-87.8170.8000113.4G225 M228 F229 L232 F257 W262 G269 K270 Y271 C275 L277G225-L273 VanDerWaalsContact O-CD2 3.27Å; G225-L273 WeakPolarHBondContact O-CD2 3.49Å; M228-L273 HydrophobicContact CB-CD2 3.86Å; M228-L273 HydrophobicContact CE-CD1 4.21Å; M228-L273 HydrophobicContact CE-CG 3.88Å; M228-L273 HydrophobicContact CG-CD1 4.42Å; M228-L273 HydrophobicContact CG-CD2 3.8Å; M228-L273 HydrophobicContact CG-CG 4.06Å; M228-L273 HydrophobicContact SD-CD2 3.93Å; M228-L273 HydrophobicContact SD-CG 3.8Å; F229-L273 HydrophobicContact CB-CD2 3.97Å; F229-L273 HydrophobicContact CD2-CD1 4.3Å; L232-L273 HydrophobicContact CD1-CD1 3.92Å; F257-L273 HydrophobicContact CE1-CB 4.27Å; F257-L273 HydrophobicContact CE1-CD1 4.02Å; F257-L273 HydrophobicContact CZ-CB 4.12Å; W262-L273 HydrophobicContact CH2-CD1 3.54Å; W262-L273 HydrophobicContact CZ3-CD1 3.53Å; G269-L273 WeakPolarHBondContact O-CG 3.31Å; G269-L273 PolarHBondContact O-N 3.35Å; K270-L273 WeakPolarHBondContact O-CB 3.3Å; K270-L273 PolarHBondContact O-N 2.88Å; Y271-L273 VanDerWaalsContact C-N 3.27Å; Y271-L273 PolarHBondContact O-N 3.17Å; L273-C275 PolarHBondContact O-N 3.13Å; L273-L277 HydrophobicContact CD2-CD1 4.34Å; L273-L277 VanDerWaalsContact O-CB 3.3Å; L273-L277 WeakPolarHBondContact O-CB 3.37Å; L273-L277 WeakPolarHBondContact O-CG 3.36Å; L273-L277 PolarHBondContact O-N 3.16Å
274T94.7Very high93Very high51 Ų5136.7 Ų36.731%0.31321%0.208SC..Hα-helixtrans-67.2-25.8175.365.30000112.7V255 F257 K270 Y271 V272 K278V255-T274 HydrophobicContact CG1-CG2 3.96Å; F257-T274 HydrophobicContact CE2-CG2 3.9Å; F257-T274 HydrophobicContact CZ-CG2 3.99Å; K270-T274 WeakPolarHBondContact O-CG2 3.45Å; K270-T274 PolarHBondContact O-N 3.19Å; Y271-T274 WeakPolarHBondContact O-CA 3.39Å; Y271-T274 PolarHBondContact O-N 3.42Å; Y271-T274 PolarHBondContact O-OG1 3.34Å; V272-T274 PolarHBondContact O-N 2.87Å; T274-K278 WeakPolarHBondContact O-CG 3.34Å; T274-K278 PolarHBondContact O-N 3.18Å
275C94.5Very high93Very high0 Ų031.3 Ų31.30%018%0.175CC..Hα-helixtrans-85.6-32.2178.9-60.60000113.4Y271 V272 L273 K278 L285 S307Y271-C275 PolarHBondContact O-N 3.16Å; Y271-C275 VanDerWaalsContact O-N 3.13Å; Y271-C275 PolarHBondContact O-SG 2.85Å; V272-C275 PolarHBondContact O-N 2.92Å; V272-C275 VanDerWaalsContact O-N 3.09Å; L273-C275 PolarHBondContact O-N 3.13Å; C275-K278 WeakPolarHBondContact O-CG 3.23Å; C275-L285 HydrophobicContact CB-CB 4.25Å; C275-L285 PolarHBondContact O-N 2.74Å; C275-L285 VanDerWaalsContact O-N 3.1Å; C275-S307 PolarHBondContact SG-OG 2.74Å
276L95.9Very high93Very high0 Ų032 Ų320%018%0.18CC..Hα-helixtrans-72.2-32.9169.9-63.4170.9000112.1V221 I224 M228 V272 R284 L285 L290V221-L276 HydrophobicContact CG1-CD2 3.45Å; V221-L276 VanDerWaalsContact CG1-CD2 3.45Å; I224-L276 HydrophobicContact CG2-CD1 4.42Å; M228-L276 HydrophobicContact SD-CD1 4.17Å; V272-L276 HydrophobicContact CG2-CD1 4.32Å; V272-L276 HydrophobicContact CG2-CG 4.44Å; V272-L276 WeakPolarHBondContact O-CG 3.45Å; V272-L276 PolarHBondContact O-N 2.73Å; L276-R284 WeakPolarHBondContact O-CD 3.26Å; L276-R284 WeakPolarHBondContact O-CG 3.39Å; L276-L285 HydrophobicContact CD2-CB 4.22Å; L276-L285 HydrophobicContact CD2-CD2 4.28Å; L276-L290 HydrophobicContact CD1-CD1 4.21Å; L276-L290 HydrophobicContact CD1-CD2 4.39Å; L276-L290 HydrophobicContact CD2-CD1 4.24Å; L276-L290 HydrophobicContact CD2-CD2 3.92Å; L276-L290 HydrophobicContact CD2-CG 4.49Å
277L95.3Very high92.9Very high6 Ų629.9 Ų29.93%0.03117%0.166CC..THydrogen-bonded Turntrans-9926.6-178.7-60.9175.9000113.7W222 V226 P237 V255 L273 T279W222-L277 HydrophobicContact CD2-CD2 3.96Å; W222-L277 HydrophobicContact CE3-CD2 4.06Å; W222-L277 HydrophobicContact CG-CD2 4.48Å; W222-L277 HydrophobicContact CH2-CD2 4.42Å; W222-L277 HydrophobicContact CZ2-CD2 4.31Å; W222-L277 HydrophobicContact CZ3-CB 4.27Å; W222-L277 HydrophobicContact CZ3-CD2 4.3Å; W222-L277 WeakPolarHBondContact CZ3-O 3.26Å; V226-L277 HydrophobicContact CG2-CD2 3.96Å; P237-L277 HydrophobicContact CB-CD1 4.34Å; P237-L277 HydrophobicContact CG-CD1 4.41Å; V255-L277 HydrophobicContact CB-CD1 3.96Å; V255-L277 HydrophobicContact CG1-CD1 4.39Å; V255-L277 HydrophobicContact CG2-CD1 3.91Å; L273-L277 HydrophobicContact CD2-CD1 4.34Å; L273-L277 VanDerWaalsContact O-CB 3.3Å; L273-L277 WeakPolarHBondContact O-CB 3.37Å; L273-L277 WeakPolarHBondContact O-CG 3.36Å; L273-L277 PolarHBondContact O-N 3.16Å; L277-T279 PolarHBondContact O-N 2.73Å
278K92.8Very high93Very high53 Ų5329 Ų2923%0.2316%0.158CC..  trans-66125.2168.3-59.1-99.4-175.3167.50108.8T274 C275 D280 Y283 R284 E311T274-K278 WeakPolarHBondContact O-CG 3.34Å; T274-K278 PolarHBondContact O-N 3.18Å; C275-K278 WeakPolarHBondContact O-CG 3.23Å; K278-D280 VanDerWaalsContact C-N 3.33Å; K278-D280 PolarHBondContact O-N 3.38Å; K278-Y283 WeakPolarHBondContact CG-O 3.26Å; K278-R284 HydrophobicContact CB-CB 4.25Å; K278-R284 PolarHBondContact O-NE 2.77Å; K278-R284 PolarHBondContact O-NH2 2.92Å; K278-R284 VanDerWaalsContact O-NH2 3.14Å; K278-E311 IonicContact NZ-OE1 2.73Å; K278-E311 PolarHBondContact NZ-OE1 3.46Å; K278-E311 IonicContact NZ-OE2 2.7Å
279T90.3Very high93.1Very high49 Ų4931.2 Ų31.230%0.30116%0.163SC..SBendtrans-62.9-39.4-176.2-52.70000112.3P207 L277 R284P207-T279 HydrophobicContact CB-CG2 3.86Å; P207-T279 HydrophobicContact CG-CG2 3.8Å; L277-T279 PolarHBondContact O-N 2.73Å; T279-R284 PolarHBondContact O-NH2 2.97Å
280D88.5Confident93.2Very high83 Ų8331.2 Ų31.244%0.44416%0.163SC..SBendtrans-84.1122.2173.8-174.2-18.2000110K278 A282 Y283 R284K278-D280 VanDerWaalsContact C-N 3.33Å; K278-D280 PolarHBondContact O-N 3.38Å; D280-A282 PolarHBondContact O-N 2.92Å; D280-A282 WeakPolarHBondContact OD1-CB 3.36Å; D280-A282 PolarHBondContact OD1-N 3.36Å; D280-Y283 HydrophobicContact CB-CD2 4Å; D280-Y283 PolarHBondContact O-N 3.39Å; D280-R284 PolarHBondContact O-N 2.81Å
281P88.5Confident93.2Very high12 Ų1230.7 Ų30.78%0.07816%0.161CC..G310 helixtrans-53.8-32.2175.5-28.336.9000114.8E208 W218 Y283 R284E208-P281 HydrophobicContact CB-CG 3.97Å; E208-P281 HydrophobicContact CG-CG 3.72Å; W218-P281 HydrophobicContact CB-CB 3.87Å; W218-P281 HydrophobicContact CG-CB 3.89Å; P281-Y283 PolarHBondContact O-N 3.28Å; P281-R284 WeakPolarHBondContact O-CB 3.47Å; P281-R284 PolarHBondContact O-N 3.4Å; P281-R284 VanDerWaalsContact O-N 3.11Å
282A87.8Confident93.2Very high49 Ų4932.8 Ų32.841%0.40518%0.176SC..G310 helixtrans-67.8-22-174.500000113.7D280 L310D280-A282 PolarHBondContact O-N 2.92Å; D280-A282 WeakPolarHBondContact OD1-CB 3.36Å; D280-A282 PolarHBondContact OD1-N 3.36Å; A282-L310 HydrophobicContact CB-CD1 3.85Å
283Y89.6Confident93.1Very high62 Ų6233.4 Ų33.424%0.24318%0.179CC..G310 helixtrans-106.22.1175.6-58.8-89.5000112.7K278 D280 P281 N308 L310 K314K278-Y283 WeakPolarHBondContact CG-O 3.26Å; D280-Y283 HydrophobicContact CB-CD2 4Å; D280-Y283 PolarHBondContact O-N 3.39Å; P281-Y283 PolarHBondContact O-N 3.28Å; Y283-N308 PolarHBondContact O-ND2 3.43Å; Y283-N308 VanDerWaalsContact O-ND2 3.1Å; Y283-L310 HydrophobicContact CD1-CB 4.06Å; Y283-L310 HydrophobicContact CE1-CB 3.67Å; Y283-L310 HydrophobicContact CE1-CD1 4.22Å; Y283-K314 WeakPolarHBondContact OH-CE 3.44Å; Y283-K314 PolarHBondContact OH-NZ 2.7Å
284R92.8Very high92.9Very high1 Ų134.8 Ų34.80%0.00419%0.188CC..SBendtrans-78.1140.6-180-161.2177.7-61.6152.35.2109.2E208 W218 L276 K278 T279 D280 P281E208-R284 IonicContact OE1-CZ 2.68Å; E208-R284 IonicContact OE1-NH1 3.22Å; E208-R284 PolarHBondContact OE1-NH1 3.04Å; E208-R284 IonicContact OE1-NH2 2.82Å; E208-R284 IonicContact OE2-CZ 2.62Å; E208-R284 IonicContact OE2-NH1 2.67Å; E208-R284 PolarHBondContact OE2-NH1 3.14Å; E208-R284 IonicContact OE2-NH2 2.73Å; E208-R284 PolarHBondContact OE2-NH2 3.15Å; W218-R284 HydrophobicContact CE3-CB 4.36Å; W218-R284 VanDerWaalsContact CZ3-O 3.3Å; W218-R284 WeakPolarHBondContact CZ3-O 3.42Å; W218-R284 PolarHBondContact O-NH1 3.4Å; L276-R284 WeakPolarHBondContact O-CD 3.26Å; L276-R284 WeakPolarHBondContact O-CG 3.39Å; K278-R284 HydrophobicContact CB-CB 4.25Å; K278-R284 PolarHBondContact O-NE 2.77Å; K278-R284 PolarHBondContact O-NH2 2.92Å; K278-R284 VanDerWaalsContact O-NH2 3.14Å; T279-R284 PolarHBondContact O-NH2 2.97Å; D280-R284 PolarHBondContact O-N 2.81Å; P281-R284 WeakPolarHBondContact O-CB 3.47Å; P281-R284 PolarHBondContact O-N 3.4Å; P281-R284 VanDerWaalsContact O-N 3.11Å
285L92.9Very high92.9Very high4 Ų432.9 Ų32.92%0.02118%0.175CC..PPolyproline II helixtrans-60.5141.8172.7-162.467.1000109.5V221 V272 C275 L276 Q289 L290 S307V221-L285 VanDerWaalsContact CG1-O 3.23Å; V221-L285 WeakPolarHBondContact CG1-O 3.4Å; V272-L285 HydrophobicContact CG2-CD2 4.02Å; C275-L285 HydrophobicContact CB-CB 4.25Å; C275-L285 PolarHBondContact O-N 2.74Å; C275-L285 VanDerWaalsContact O-N 3.1Å; L276-L285 HydrophobicContact CD2-CB 4.22Å; L276-L285 HydrophobicContact CD2-CD2 4.28Å; L285-Q289 HydrophobicContact CD1-CB 3.51Å; L285-Q289 HydrophobicContact CD1-CG 4.49Å; L285-Q289 HydrophobicContact CG-CB 3.97Å; L285-L290 HydrophobicContact CD2-CB 3.97Å; L285-L290 HydrophobicContact CD2-CD1 4.15Å; L285-L290 HydrophobicContact CG-CB 4.5Å; L285-S307 WeakPolarHBondContact CD1-O 3.4Å
286S93.4Very high92.9Very high24 Ų2433.6 Ų33.617%0.16818%0.179CC..PPolyproline II helixtrans-83.1161.317167.70000111.4H288 Q289 L290S286-H288 PolarHBondContact O-N 3.02Å; S286-Q289 VanDerWaalsContact CB-OE1 3.28Å; S286-Q289 PolarHBondContact O-N 2.85Å; S286-Q289 VanDerWaalsContact OG-CG 3.31Å; S286-Q289 WeakPolarHBondContact OG-CG 3.27Å; S286-Q289 PolarHBondContact OG-N 3.4Å; S286-Q289 PolarHBondContact OG-OE1 3.08Å; S286-L290 WeakPolarHBondContact O-CB 3.43Å; S286-L290 PolarHBondContact O-N 2.85Å
287A94.5Very high92.6Very high3 Ų337.3 Ų37.33%0.02520%0.202CC..Hα-helixtrans-61.2-27.5175.100000112.8V142 V143 V221V142-A287 HydrophobicContact CB-CB 4.21Å; V142-A287 HydrophobicContact CG1-CB 3.7Å; V143-A287 HydrophobicContact CG2-CB 3.68Å; V143-A287 WeakPolarHBondContact CG2-O 3.45Å; V221-A287 HydrophobicContact CG2-CB 4.11Å
288H94.5Very high92.1Very high98 Ų9839.5 Ų39.545%0.45423%0.225SC..Hα-helixtrans-71.2-55.5174.5-172.1-18.4000110.9V143 S286 L290 L291 D292V143-H288 HydrophobicContact CG2-CB 4.22Å; S286-H288 PolarHBondContact O-N 3.02Å; H288-L290 PolarHBondContact O-N 2.75Å; H288-L290 VanDerWaalsContact O-N 3.12Å; H288-L291 WeakPolarHBondContact O-CB 3.21Å; H288-L291 PolarHBondContact O-N 2.8Å; H288-D292 IonicContact CE1-OD2 2.86Å; H288-D292 PolarHBondContact CE1-OD2 3.26Å; H288-D292 IonicContact ND1-OD2 2.65Å; H288-D292 PolarHBondContact ND1-OD2 3.06Å; H288-D292 PolarHBondContact O-N 3.43Å
289Q94.5Very high91.4Very high67 Ų6740 Ų4031%0.31323%0.231SC..Hα-helixtrans-61.4-23.5179.2-64.3162.6-73.900112.7L285 S286 H293 S307L285-Q289 HydrophobicContact CD1-CB 3.51Å; L285-Q289 HydrophobicContact CD1-CG 4.49Å; L285-Q289 HydrophobicContact CG-CB 3.97Å; S286-Q289 VanDerWaalsContact CB-OE1 3.28Å; S286-Q289 PolarHBondContact O-N 2.85Å; S286-Q289 VanDerWaalsContact OG-CG 3.31Å; S286-Q289 WeakPolarHBondContact OG-CG 3.27Å; S286-Q289 PolarHBondContact OG-N 3.4Å; S286-Q289 PolarHBondContact OG-OE1 3.08Å; Q289-H293 WeakPolarHBondContact O-CB 3.48Å; Q289-H293 PolarHBondContact O-N 3.23Å; Q289-H293 VanDerWaalsContact O-N 3.15Å; Q289-S307 PolarHBondContact NE2-O 3.02Å; Q289-S307 VanDerWaalsContact NE2-O 3.12Å
290L96.1Very high90.3Very high0 Ų044.3 Ų44.30%026%0.257CS..Hα-helixtrans-65-40.4171175.660.1000112.2I135 A139 I224 V272 L276 L285 S286 H288 D292 H293 I296I135-L290 HydrophobicContact CG2-CD1 4.5Å; I135-L290 HydrophobicContact CG2-CD2 4.01Å; A139-L290 HydrophobicContact CB-CD2 3.66Å; A139-L290 HydrophobicContact CB-CG 4.08Å; I224-L290 HydrophobicContact CD1-CD2 4.41Å; I224-L290 HydrophobicContact CG2-CD2 3.87Å; V272-L290 HydrophobicContact CG2-CD1 3.61Å; L276-L290 HydrophobicContact CD1-CD1 4.21Å; L276-L290 HydrophobicContact CD1-CD2 4.39Å; L276-L290 HydrophobicContact CD2-CD1 4.24Å; L276-L290 HydrophobicContact CD2-CD2 3.92Å; L276-L290 HydrophobicContact CD2-CG 4.49Å; L285-L290 HydrophobicContact CD2-CB 3.97Å; L285-L290 HydrophobicContact CD2-CD1 4.15Å; L285-L290 HydrophobicContact CG-CB 4.5Å; S286-L290 WeakPolarHBondContact O-CB 3.43Å; S286-L290 PolarHBondContact O-N 2.85Å; H288-L290 PolarHBondContact O-N 2.75Å; H288-L290 VanDerWaalsContact O-N 3.12Å; L290-D292 VanDerWaalsContact C-N 3.31Å; L290-D292 PolarHBondContact O-N 3.37Å; L290-H293 WeakPolarHBondContact O-CB 3.44Å; L290-H293 PolarHBondContact O-N 2.81Å; L290-I296 HydrophobicContact CD1-CG1 3.97Å; L290-I296 HydrophobicContact CG-CG1 4.42Å; L290-I296 WeakPolarHBondContact O-CB 3.45Å; L290-I296 VanDerWaalsContact O-CG1 3.23Å; L290-I296 WeakPolarHBondContact O-CG1 3.18Å
291L95.6Very high88.9Confident27 Ų2745.9 Ų45.914%0.14127%0.27CS..Hα-helixtrans-64.8-37.6176.8-66.8172.1000111.8Y136 A139 D140 V143 H288 H293 I296 T297Y136-L291 HydrophobicContact CD2-CD2 3.64Å; Y136-L291 HydrophobicContact CE2-CD2 3.82Å; Y136-L291 HydrophobicContact CG-CD2 4.32Å; A139-L291 HydrophobicContact CB-CD2 3.71Å; A139-L291 HydrophobicContact CB-CG 4.07Å; D140-L291 HydrophobicContact CB-CD1 4.43Å; D140-L291 HydrophobicContact CB-CD2 4.22Å; V143-L291 HydrophobicContact CB-CD1 4.43Å; V143-L291 HydrophobicContact CG2-CD1 3.91Å; H288-L291 WeakPolarHBondContact O-CB 3.21Å; H288-L291 PolarHBondContact O-N 2.8Å; L291-H293 VanDerWaalsContact C-N 3.28Å; L291-H293 PolarHBondContact O-N 2.97Å; L291-I296 WeakPolarHBondContact O-CG2 3.3Å; L291-T297 WeakPolarHBondContact O-CG2 3.46Å
292D93Very high87.6Confident99 Ų9949 Ų4953%0.52929%0.288SS..THydrogen-bonded Turntrans-80.9-6.7-180-51.4-56.7000113H288 L290H288-D292 IonicContact CE1-OD2 2.86Å; H288-D292 PolarHBondContact CE1-OD2 3.26Å; H288-D292 IonicContact ND1-OD2 2.65Å; H288-D292 PolarHBondContact ND1-OD2 3.06Å; H288-D292 PolarHBondContact O-N 3.43Å; L290-D292 VanDerWaalsContact C-N 3.31Å; L290-D292 PolarHBondContact O-N 3.37Å
293H93.3Very high86.2Confident13 Ų1351.9 Ų51.96%0.0630%0.303CS..SBendtrans-72.2136.5-173.8-174.8-89.5000112Y271 Q289 L290 L291 W295 I296 T297Y271-H293 AromaticContact CD1-NE2 3.49Å; Y271-H293 WeakPolarHBondContact CD1-NE2 3.19Å; Y271-H293 AromaticContact CE1-NE2 3.63Å; Q289-H293 WeakPolarHBondContact O-CB 3.48Å; Q289-H293 PolarHBondContact O-N 3.23Å; Q289-H293 VanDerWaalsContact O-N 3.15Å; L290-H293 WeakPolarHBondContact O-CB 3.44Å; L290-H293 PolarHBondContact O-N 2.81Å; L291-H293 VanDerWaalsContact C-N 3.28Å; L291-H293 PolarHBondContact O-N 2.97Å; H293-W295 WeakPolarHBondContact ND1-CB 3.23Å; H293-W295 PolarHBondContact ND1-N 3.47Å; H293-W295 VanDerWaalsContact ND1-N 3.15Å; H293-W295 PolarHBondContact O-N 2.69Å; H293-I296 WeakPolarHBondContact O-CA 3.44Å; H293-I296 PolarHBondContact O-N 3.17Å; H293-T297 PolarHBondContact O-N 3.42Å; H293-T297 VanDerWaalsContact O-N 3.1Å
294P91.9Very high85Confident30 Ų3053.1 Ų53.120%0.19531%0.313CS..Hα-helixtrans-43.6-40.7178.8-37.339.8000116.1I296 T297 G298 D299 V302 L304P294-I296 VanDerWaalsContact C-N 3.3Å; P294-I296 PolarHBondContact O-N 3.15Å; P294-T297 WeakPolarHBondContact CA-OG1 3.33Å; P294-T297 PolarHBondContact O-OG1 3.15Å; P294-G298 WeakPolarHBondContact O-CA 3.28Å; P294-G298 PolarHBondContact O-N 3.33Å; P294-D299 WeakPolarHBondContact CB-O 3.14Å; P294-V302 HydrophobicContact CG-CB 4.33Å; P294-L304 HydrophobicContact CB-CD2 4.38Å; P294-L304 HydrophobicContact CG-CD2 4.33Å
295W94.4Very high83.5Confident11 Ų1155 Ų554%0.04233%0.333CS..Hα-helixtrans-64.5-28.8177.8-175.875.2000114.5E128 T131 R132 I135 M228 G269 V272 H293E128-W295 HydrophobicContact CG-CZ2 3.77Å; E128-W295 PolarHBondContact OE1-NE1 2.89Å; T131-W295 HydrophobicContact CG2-CH2 4.15Å; R132-W295 VanDerWaalsContact CA-CH2 3.42Å; R132-W295 HydrophobicContact CB-CH2 3.86Å; R132-W295 HydrophobicContact CB-CZ2 3.97Å; R132-W295 HydrophobicContact CB-CZ3 4.35Å; R132-W295 WeakPolarHBondContact CD-O 3.46Å; R132-W295 PolarHBondContact NE-O 2.81Å; I135-W295 HydrophobicContact CB-CZ3 4.28Å; I135-W295 HydrophobicContact CG2-CZ3 4.27Å; M228-W295 HydrophobicContact CE-CD2 4.02Å; M228-W295 HydrophobicContact CE-CE3 3.83Å; M228-W295 HydrophobicContact CE-CH2 3.28Å; M228-W295 HydrophobicContact CE-CZ2 3.48Å; M228-W295 VanDerWaalsContact CE-CZ2 3.48Å; M228-W295 HydrophobicContact CE-CZ3 3.45Å; M228-W295 VanDerWaalsContact CE-CZ3 3.45Å; M228-W295 HydrophobicContact SD-CE3 4.39Å; M228-W295 HydrophobicContact SD-CH2 3.98Å; M228-W295 HydrophobicContact SD-CZ3 3.78Å; G269-W295 VanDerWaalsContact CA-CD1 3.44Å; G269-W295 VanDerWaalsContact N-CD1 3.28Å; V272-W295 HydrophobicContact CB-CB 4.48Å; V272-W295 HydrophobicContact CG1-CB 4.21Å; V272-W295 HydrophobicContact CG1-CD2 3.87Å; V272-W295 HydrophobicContact CG1-CE3 3.74Å; V272-W295 HydrophobicContact CG1-CG 4.06Å; V272-W295 HydrophobicContact CG1-CZ3 4.47Å; H293-W295 WeakPolarHBondContact ND1-CB 3.23Å; H293-W295 PolarHBondContact ND1-N 3.47Å; H293-W295 VanDerWaalsContact ND1-N 3.15Å; H293-W295 PolarHBondContact O-N 2.69Å
296I94.8Very high82Confident14 Ų1457.1 Ų57.17%0.07235%0.348CS..Hα-helixtrans-86.8-46.9176.8-70.5-64.6000110.9R132 I135 Y136 L290 L291 H293 P294 G298R132-I296 HydrophobicContact CG-CD1 4.21Å; I135-I296 HydrophobicContact CB-CD1 4.34Å; I135-I296 HydrophobicContact CG2-CD1 4.06Å; Y136-I296 HydrophobicContact CD2-CG2 3.68Å; Y136-I296 HydrophobicContact CG-CG2 4.43Å; L290-I296 HydrophobicContact CD1-CG1 3.97Å; L290-I296 HydrophobicContact CG-CG1 4.42Å; L290-I296 WeakPolarHBondContact O-CB 3.45Å; L290-I296 VanDerWaalsContact O-CG1 3.23Å; L290-I296 WeakPolarHBondContact O-CG1 3.18Å; L291-I296 WeakPolarHBondContact O-CG2 3.3Å; H293-I296 WeakPolarHBondContact O-CA 3.44Å; H293-I296 PolarHBondContact O-N 3.17Å; P294-I296 VanDerWaalsContact C-N 3.3Å; P294-I296 PolarHBondContact O-N 3.15Å; I296-G298 VanDerWaalsContact C-N 3.27Å; I296-G298 PolarHBondContact O-N 3.32Å
297T91.2Very high80.7Confident79 Ų7956.4 Ų56.449%0.48534%0.343SS..Hα-helixtrans-68.7-26.6-178.861.20000112.9L291 H293 P294 D299L291-T297 WeakPolarHBondContact O-CG2 3.46Å; H293-T297 PolarHBondContact O-N 3.42Å; H293-T297 VanDerWaalsContact O-N 3.1Å; P294-T297 WeakPolarHBondContact CA-OG1 3.33Å; P294-T297 PolarHBondContact O-OG1 3.15Å; T297-D299 VanDerWaalsContact C-N 3.25Å; T297-D299 PolarHBondContact OG1-N 3.4Å
298G83.9Confident79.5Confident51 Ų5156.7 Ų56.753%0.52634%0.344SS..  trans79.25.7-172.600000113.7P294 I296 T300P294-G298 WeakPolarHBondContact O-CA 3.28Å; P294-G298 PolarHBondContact O-N 3.33Å; I296-G298 VanDerWaalsContact C-N 3.27Å; I296-G298 PolarHBondContact O-N 3.32Å; G298-T300 PolarHBondContact O-N 3.48Å
299D77.1Confident78.4Confident65 Ų6556.3 Ų56.335%0.34835%0.348SS..  trans-79114176.7-169.2-15.7000110.3P294 T297 T301P294-D299 WeakPolarHBondContact CB-O 3.14Å; T297-D299 VanDerWaalsContact C-N 3.25Å; T297-D299 PolarHBondContact OG1-N 3.4Å; D299-T301 WeakPolarHBondContact OD1-CB 3.32Å; D299-T301 PolarHBondContact OD1-N 3.15Å; D299-T301 PolarHBondContact OD1-OG1 2.84Å
300T67.3Low77.2Confident139 Ų13956.5 Ų56.585%0.85335%0.35SS*.  trans-97.84.2177.453.60000113.5G298G298-T300 PolarHBondContact O-N 3.48Å
301T60.5Low76.1Confident116 Ų11658.2 Ų58.271%0.71236%0.359SS*.SBendtrans-86-21.7-179.770.20000113.1D299 P303D299-T301 WeakPolarHBondContact OD1-CB 3.32Å; D299-T301 PolarHBondContact OD1-N 3.15Å; D299-T301 PolarHBondContact OD1-OG1 2.84Å; T301-P303 WeakPolarHBondContact O-CD 3.46Å
302V60.7Low75Confident76 Ų7661 Ų6146%0.46137%0.372SS..SBendtrans-83.8121.4178.1-174.50000110P294P294-V302 HydrophobicContact CG-CB 4.33Å
303P59Low74.1Confident110 Ų11061.6 Ų61.671%0.71437%0.373SS*.  trans-58.8147172.3-23.434.4000111.9T301 G305T301-P303 WeakPolarHBondContact O-CD 3.46Å; P303-G305 VanDerWaalsContact C-N 3.25Å; P303-G305 PolarHBondContact O-N 3.29Å
304L64.2Low73.1Confident88 Ų8866.7 Ų66.746%0.46140%0.395SS..  trans-71.779.1176.6-67176.7000111.1Y271 P294Y271-L304 HydrophobicContact CD1-CD1 4.42Å; Y271-L304 HydrophobicContact CD1-CD2 4.15Å; Y271-L304 HydrophobicContact CD2-CD1 4.45Å; Y271-L304 HydrophobicContact CE1-CD2 4.36Å; Y271-L304 HydrophobicContact CG-CD1 4.18Å; P294-L304 HydrophobicContact CB-CD2 4.38Å; P294-L304 HydrophobicContact CG-CD2 4.33Å
305G61.4Low72Confident41 Ų4170.6 Ų70.642%0.42341%0.41SS..  trans-71.4179.9176.400000114Y271 P303 S307Y271-G305 PolarHBondContact OH-O 3.25Å; P303-G305 VanDerWaalsContact C-N 3.25Å; P303-G305 PolarHBondContact O-N 3.29Å; G305-S307 PolarHBondContact O-N 2.81Å
306P60.7Low70.7Confident49 Ų4978.2 Ų78.232%0.31844%0.44SS..  trans-63.7134-176.5-1932.3000111.5N308 E311 M312P306-N308 VanDerWaalsContact C-N 3.27Å; P306-N308 PolarHBondContact O-N 2.78Å; P306-E311 HydrophobicContact CB-CB 3.89Å; P306-E311 HydrophobicContact CB-CG 4.07Å; P306-M312 HydrophobicContact CB-CB 4.39Å; P306-M312 HydrophobicContact CB-CG 3.75Å; P306-M312 HydrophobicContact CG-CG 4.04Å
307S65.1Low69.4Low9 Ų981.7 Ų81.76%0.06346%0.462CS..SBendtrans-79.1-4.7-168.1-78.70000114.7Y271 C275 L285 Q289 G305 E311Y271-S307 WeakPolarHBondContact CE1-OG 3.49Å; Y271-S307 PolarHBondContact OH-OG 2.98Å; C275-S307 PolarHBondContact SG-OG 2.74Å; L285-S307 WeakPolarHBondContact CD1-O 3.4Å; Q289-S307 PolarHBondContact NE2-O 3.02Å; Q289-S307 VanDerWaalsContact NE2-O 3.12Å; G305-S307 PolarHBondContact O-N 2.81Å; S307-E311 PolarHBondContact N-OE2 3.35Å
308N70.9Confident67.8Low9 Ų979.7 Ų79.75%0.04846%0.457CS..SBendtrans-159.6163.1179.762.383000111Y283 P306 L310 E311 M312Y283-N308 PolarHBondContact O-ND2 3.43Å; Y283-N308 VanDerWaalsContact O-ND2 3.1Å; P306-N308 VanDerWaalsContact C-N 3.27Å; P306-N308 PolarHBondContact O-N 2.78Å; N308-L310 VanDerWaalsContact C-N 3.3Å; N308-L310 PolarHBondContact O-N 2.58Å; N308-L310 WeakPolarHBondContact OD1-CB 3.32Å; N308-L310 PolarHBondContact OD1-N 2.85Å; N308-L310 VanDerWaalsContact OD1-N 3.17Å; N308-E311 WeakPolarHBondContact O-CB 2.92Å; N308-E311 PolarHBondContact O-N 2.64Å; N308-E311 PolarHBondContact OD1-N 3.26Å; N308-M312 PolarHBondContact O-N 2.82Å
309V69.9Low66.4Low89 Ų8982.1 Ų82.154%0.53946%0.458SS..Hα-helixtrans-60.8-34.3-175.7-177.70000113E311 M312 M313V309-E311 VanDerWaalsContact C-N 3.33Å; V309-M312 WeakPolarHBondContact O-CB 3.12Å; V309-M312 PolarHBondContact O-N 3.43Å; V309-M313 HydrophobicContact CG1-CE 3.78Å; V309-M313 HydrophobicContact CG1-CG 4.41Å; V309-M313 HydrophobicContact CG1-SD 4.05Å; V309-M313 WeakPolarHBondContact O-CB 3.2Å; V309-M313 VanDerWaalsContact O-CG 3.27Å; V309-M313 WeakPolarHBondContact O-CG 3.47Å; V309-M313 PolarHBondContact O-N 2.67Å
310L70.8Confident65.2Low71 Ų7185.9 Ų85.937%0.37247%0.474SS..Hα-helixtrans-71.7-29177.1-61.2177.7000112.6A282 Y283 N308 M313 K314A282-L310 HydrophobicContact CB-CD1 3.85Å; Y283-L310 HydrophobicContact CD1-CB 4.06Å; Y283-L310 HydrophobicContact CE1-CB 3.67Å; Y283-L310 HydrophobicContact CE1-CD1 4.22Å; N308-L310 VanDerWaalsContact C-N 3.3Å; N308-L310 PolarHBondContact O-N 2.58Å; N308-L310 WeakPolarHBondContact OD1-CB 3.32Å; N308-L310 PolarHBondContact OD1-N 2.85Å; N308-L310 VanDerWaalsContact OD1-N 3.17Å; L310-M313 HydrophobicContact CD2-SD 4.48Å; L310-K314 WeakPolarHBondContact O-CG 3.41Å; L310-K314 PolarHBondContact O-N 3.33Å
311E73.3Confident64.3Low36 Ų3685.2 Ų85.217%0.16847%0.465CS..Hα-helixtrans-75.3-40.7173.3-152.3159.9-111.700109.7K278 P306 S307 N308 V309 K314 H315K278-E311 IonicContact NZ-OE1 2.73Å; K278-E311 PolarHBondContact NZ-OE1 3.46Å; K278-E311 IonicContact NZ-OE2 2.7Å; P306-E311 HydrophobicContact CB-CB 3.89Å; P306-E311 HydrophobicContact CB-CG 4.07Å; S307-E311 PolarHBondContact N-OE2 3.35Å; N308-E311 WeakPolarHBondContact O-CB 2.92Å; N308-E311 PolarHBondContact O-N 2.64Å; N308-E311 PolarHBondContact OD1-N 3.26Å; V309-E311 VanDerWaalsContact C-N 3.33Å; E311-K314 PolarHBondContact O-N 2.84Å; E311-H315 PolarHBondContact O-CD2 2.73Å; E311-H315 PolarHBondContact O-N 3.29Å
312M72.4Confident63.7Low85 Ų8587.7 Ų87.742%0.41947%0.469SS..Hα-helixtrans-57-51.9169.9-64.3176.568.200112P306 N308 V309 K314 H315 Y316P306-M312 HydrophobicContact CB-CB 4.39Å; P306-M312 HydrophobicContact CB-CG 3.75Å; P306-M312 HydrophobicContact CG-CG 4.04Å; N308-M312 PolarHBondContact O-N 2.82Å; V309-M312 WeakPolarHBondContact O-CB 3.12Å; V309-M312 PolarHBondContact O-N 3.43Å; M312-K314 VanDerWaalsContact C-N 3.25Å; M312-K314 PolarHBondContact O-N 2.76Å; M312-H315 PolarHBondContact O-N 2.85Å; M312-Y316 WeakPolarHBondContact O-CD2 3.36Å; M312-Y316 PolarHBondContact O-N 2.85Å; M312-Y316 VanDerWaalsContact O-N 3.1Å
313M73.4Confident62.9Low112 Ų11292.3 Ų92.355%0.55249%0.485SS*.Hα-helixtrans-58.3-35.9-178.8-75.4170.7168.500112.6V309 L310 Y316 V317V309-M313 HydrophobicContact CG1-CE 3.78Å; V309-M313 HydrophobicContact CG1-CG 4.41Å; V309-M313 HydrophobicContact CG1-SD 4.05Å; V309-M313 WeakPolarHBondContact O-CB 3.2Å; V309-M313 VanDerWaalsContact O-CG 3.27Å; V309-M313 WeakPolarHBondContact O-CG 3.47Å; V309-M313 PolarHBondContact O-N 2.67Å; L310-M313 HydrophobicContact CD2-SD 4.48Å; M313-Y316 PolarHBondContact O-N 3.41Å; M313-V317 WeakPolarHBondContact O-CG2 3.42Å; M313-V317 PolarHBondContact O-N 3.12Å
314K72.2Confident62Low120 Ų12091.3 Ų91.352%0.52248%0.48SS..Hα-helixtrans-67.7-35.3174.7-74.6175.5-173.4-1770113.4Y283 L310 E311 M312 G318Y283-K314 WeakPolarHBondContact OH-CE 3.44Å; Y283-K314 PolarHBondContact OH-NZ 2.7Å; L310-K314 WeakPolarHBondContact O-CG 3.41Å; L310-K314 PolarHBondContact O-N 3.33Å; E311-K314 PolarHBondContact O-N 2.84Å; M312-K314 VanDerWaalsContact C-N 3.25Å; M312-K314 PolarHBondContact O-N 2.76Å; K314-G318 PolarHBondContact O-N 2.88Å
315H68.4Low60.9Low112 Ų11295.7 Ų95.752%0.51950%0.499SS..Hα-helixtrans-71.9-28.5175.5-78.7-70.5000112.8E311 M312 N319E311-H315 PolarHBondContact O-CD2 2.73Å; E311-H315 PolarHBondContact O-N 3.29Å; M312-H315 PolarHBondContact O-N 2.85Å; H315-N319 PolarHBondContact O-OD1 2.76Å; H315-N319 VanDerWaalsContact O-OD1 3.11Å
316Y67.5Low59.8Low171 Ų17199.6 Ų99.667%0.67151%0.514SS*.Hα-helixtrans-70.9-54170.1-81.7-81.1000111.6M312 M313 G318 N319 E320M312-Y316 WeakPolarHBondContact O-CD2 3.36Å; M312-Y316 PolarHBondContact O-N 2.85Å; M312-Y316 VanDerWaalsContact O-N 3.1Å; M313-Y316 PolarHBondContact O-N 3.41Å; Y316-G318 VanDerWaalsContact C-N 3.3Å; Y316-G318 PolarHBondContact O-N 3.41Å; Y316-N319 PolarHBondContact O-N 2.58Å; Y316-E320 PolarHBondContact O-N 3.02Å
317V68.2Low58.9Low87 Ų87105.7 Ų105.753%0.52754%0.539SS..Hα-helixtrans-60.7-38.7-178.6174.70000112.1M313 N319 E320M313-V317 WeakPolarHBondContact O-CG2 3.42Å; M313-V317 PolarHBondContact O-N 3.12Å; V317-N319 PolarHBondContact O-N 3.17Å; V317-E320 PolarHBondContact O-N 3.12Å
318G57Low57.5Low38 Ų38113.3 Ų113.339%0.39258%0.579SS.*Hα-helixtrans-70.2-11.1178.200000115.3K314 Y316K314-G318 PolarHBondContact O-N 2.88Å; Y316-G318 VanDerWaalsContact C-N 3.3Å; Y316-G318 PolarHBondContact O-N 3.41Å
319N54Low55.9Low102 Ų102120.6 Ų120.655%0.54562%0.618SS.*Hα-helixtrans-92.4-24.9173.6-82.338.6000112.2H315 Y316 V317 D321 E322H315-N319 PolarHBondContact O-OD1 2.76Å; H315-N319 VanDerWaalsContact O-OD1 3.11Å; Y316-N319 PolarHBondContact O-N 2.58Å; V317-N319 PolarHBondContact O-N 3.17Å; N319-D321 PolarHBondContact O-N 3.01Å; N319-E322 PolarHBondContact O-N 3.19Å
320E51.7Low54.3Low143 Ų143120.8 Ų120.867%0.66862%0.623SS**Hα-helixtrans-68.2-23.2179-66.6176.9150.200112.2Y316 V317Y316-E320 PolarHBondContact O-N 3.02Å; V317-E320 PolarHBondContact O-N 3.12Å
321D49.9Very low52.7Low125 Ų125124 Ų12467%0.66865%0.645SS**THydrogen-bonded Turntrans-77.1-32.5175.8-70.8-38.2000113.2N319 S324N319-D321 PolarHBondContact O-N 3.01Å; D321-S324 PolarHBondContact O-OG 2.96Å
322E46.7Very low50.8Low169 Ų169126.7 Ų126.779%0.7967%0.668SS**G310 helixtrans-86.2-20.2-175.2-74.2-167.3172.100114.4N319 S324N319-E322 PolarHBondContact O-N 3.19Å; E322-S324 PolarHBondContact O-N 3.16Å
323E44.3Very low48.7Very low172 Ų172128.3 Ų128.380%0.80468%0.683SS**G310 helixtrans-80.96.7179.1-69.1-168.1160.800114.1
324S39.9Very low46.7Very low89 Ų89127.9 Ų127.962%0.62269%0.691SS**G310 helixtrans-101.8-6.4-176.2700000116.4D321 E322D321-S324 PolarHBondContact O-OG 2.96Å; E322-S324 PolarHBondContact O-N 3.16Å
325E41.4Very low44.9Very low181 Ų181126.7 Ų126.785%0.84670%0.698SS**SBendtrans-102.346.1-177.9-67.5-158.7161.500114.8
326T39.1Very low43.4Very low122 Ų122130.2 Ų130.275%0.74871%0.714SS**  trans-135.9155.2161.154.60000112.5
327E41.6Very low41.7Very low178 Ų178128.9 Ų128.983%0.83272%0.719SS**SBendtrans66.676.2177.1-55.9-163.7165.400117.3
328N34.7Very low40Very low169 Ų169132.6 Ų132.690%0.90474%0.736SS**  -166.590.6128.6-100.2-60000111.2
329D37.9Very low38.7Very low162 Ų162138.9 Ų138.987%0.86676%0.755SS**  trans-140.2104.7164.4-175.912.6000110.5
330S36Very low37.7Very low93 Ų93139.9 Ų139.965%0.6576%0.764SS**  trans-166.8121.1165.863.60000111.7
331V37.4Very low37.6Very low137 Ų137139.1 Ų139.183%0.8377%0.772SS**  trans65.6122.9140.4177.90000116.4
332S33.2Very low36.7Very low94 Ų94136.4 Ų136.466%0.65777%0.773SS**  cis-165.3170.716.7-147.40000114.3
333T29Very low35.9Very low118 Ų118135.6 Ų135.672%0.72477%0.774SS**  trans6.5147.7140.955.80000120.4
334S30.7Very low35.2Very low103 Ų103133.6 Ų133.672%0.7277%0.769SS**  cis-171.4164.212.537.90000113.9
335S33.9Very low34.8Very low95 Ų95135.6 Ų135.666%0.66477%0.771SS**  trans14.2138.7151.460.10000123.3
336E36.7Very low34.4Very low186 Ų186133.9 Ų133.987%0.86977%0.766SS**  -168.7171.8109-101.6168.6-167.100111.2
337D33.4Very low33.8Very low144 Ų144133.1 Ų133.177%0.7776%0.764SS**  trans-111.4172.5-157.3-57.2-89.1000115.2
338D30.9Very low33.1Very low165 Ų165132.3 Ų132.388%0.88277%0.765SS**  163.3174125.2-105.5-45.1000116.2
339E30.5Very low33.4Very low169 Ų169129.4 Ų129.479%0.7976%0.756SS**  trans-96.7151-153.4-68.7-162.4122.500121.2
340V33Very low33Very low123 Ų123126 Ų12675%0.74575%0.745SS**  trans-8.8155.6137.8-129.70000117.1
341P50.6Low32.8Very low127 Ų127129.6 Ų129.683%0.82575%0.748SS**  cis-157.8172.643.543.8-20.7000122.7
342G29.2Very low32.3Very low68 Ų68132.2 Ų132.270%0.70175%0.748SS**  trans109.3142.5154.200000116.7
343L30.3Very low32Very low153 Ų153133 Ų13380%0.80175%0.754SS**  cis-155.2147.5-4-90.1167.7000109.8
344D30.9Very low32Very low130 Ų130132.3 Ų132.370%0.69575%0.754SS**  trans54.4145.6141.3-65.7-3000122.7
345I31.1Very low32.5Very low131 Ų131132.5 Ų132.567%0.67275%0.753SS**  cis-156.3134.81.9-122.2165.3000113.9
346I31.7Very low32.1Very low144 Ų144133.6 Ų133.674%0.73876%0.759SS**  trans55.7113.8144.9-61166.8000123.4
347C28.1Very low31.7Very low106 Ų106133.7 Ų133.772%0.71676%0.76SS**  trans46.6143133.8-53.80000123.8
348L26.5Very low31.6Very low162 Ų162131.1 Ų131.185%0.84875%0.753SS**  cis65.7151.245.1-73.2164.2000114.3
349P40.4Very low31.6Very low108 Ų108129 Ų12970%0.70175%0.746SS**  cis-123.1-150.719.935.8-12.7000112.2
350S30Very low31.7Very low91 Ų91130 Ų13064%0.63675%0.748SS**  cis-161.2123.29.9-150.20000116.2
351K30.6Very low31.7Very low168 Ų168129.3 Ų129.373%0.7376%0.755SS**  46.5126.5126.5-59.7174.7-173.6168.90123.3
352K27.2Very low30.7Very low191 Ų191128.3 Ų128.383%0.8376%0.758SS**  70.2155126.5-66.3-177.2-178.1-166.50118.7
353S27.4Very low30.8Very low112 Ų112135.4 Ų135.478%0.78377%0.769SS**  cis-159.4171.3-4.634.90000112.4
354S28.4Very low30.7Very low103 Ų103133.3 Ų133.372%0.7277%0.774SS**  trans-76-168.9163.559.50000111.9
355P41.8Very low30.6Very low107 Ų107136.8 Ų136.870%0.69578%0.783SS**  cis-139-178.6-3.844.1-27.1000116.4
356C26.2Very low30.5Very low117 Ų117137 Ų13779%0.79179%0.79SS**  trans59.4173.1154.1-67.10000118.5
357E27.7Very low30.3Very low188 Ų188138.6 Ų138.688%0.87979%0.794SS**  cis-145.6-164.9-6.6-139.7176.9162.400111.9
358S31Very low31Very low91 Ų91139.4 Ų139.464%0.63680%0.798SS**  trans-105.8162.4-168.173.20000116
359T30.5Very low31.1Very low120 Ų120135.8 Ų135.874%0.73679%0.786SS**  171.4151.4123.733.90000118.1
360K32.6Very low30.5Very low190 Ų190140.5 Ų140.583%0.82680%0.796SS**  trans64.598.3141.5-70.8167.8-176.9171.20124.3
361A32.9Very low30.3Very low108 Ų108139.4 Ų139.489%0.89380%0.799SS**  9.9148.8128.100000124.5
362A30.7Very low30.2Very low107 Ų107136.9 Ų136.988%0.88480%0.802SS**  trans-143.9164.515600000112.2
363K30.6Very low30.2Very low216 Ų216137 Ų13794%0.93980%0.803SS**  trans-125.4150.5-179.5-87.5-180176.5171.10112.2
364A29.1Very low30.2Very low109 Ų109138 Ų13890%0.90180%0.804SS**  trans-141.8162.7159.100000110.9
365K28.8Very low30.2Very low204 Ų204141.3 Ų141.389%0.88781%0.805SS**  trans-155.7146.9-169.5177.8-171.2178.7-172.40110.2
366V27.8Very low29.6Very low135 Ų135142.9 Ų142.982%0.81881%0.807SS**  trans158.6151142.9156.40000111.5
367Q28.5Very low29.7Very low178 Ų178142.4 Ų142.483%0.83280%0.804SS**  trans-103.2157.6176.6-62.3178-13.800111.5
368P42Very low30.6Very low122 Ų122138.9 Ų138.979%0.79280%0.798SS**  -149.1-179.29835.1-16.6000113.9
369S28.6Very low30.5Very low86 Ų86141.8 Ų141.860%0.60180%0.801SS**  cis-170.5162.9-36.965.80000110.1
370K28.5Very low30.4Very low207 Ų207146 Ų14690%0.980%0.804SS**  trans71.8150.3171.1-50.6163.3-172.9176.60115.9
371G25.8Very low30Very low68 Ų68141.1 Ų141.170%0.70179%0.793SS**  cis169.3155-10.800000114.1
372S28.6Very low29.8Very low115 Ų115142.1 Ų142.180%0.80479%0.788SS**  trans71.1127.5176-65.60000117
373K26.9Very low29.7Very low195 Ų195142.5 Ų142.585%0.84879%0.785SS**  67137.466.6-65.6179.5178.2178.90111.8
374V28.2Very low29.7Very low131 Ų131143.7 Ų143.779%0.79478%0.783SS**  cis-149.8145.929.4172.60000107.9
375K27.9Very low30.3Very low174 Ų174143.5 Ų143.576%0.75777%0.773SS**  cis95.5123.49.1-154.3-141.7168.5-168.80118.2
376I28.9Very low30.3Very low140 Ų140138.9 Ų138.972%0.71877%0.766SS**  trans102130.9166.1-57.9172.8000116.6
377S28.9Very low30.3Very low107 Ų107138.7 Ų138.775%0.74877%0.765SS**  trans-103.6158.6162.6-29.70000109.2
378P46.9Very low30.2Very low113 Ų113135.1 Ų135.173%0.73476%0.76SS**  -162.1-164.789.943.6-22.5000116.8
379E28.6Very low29.6Very low153 Ų153135.8 Ų135.872%0.71576%0.762SS**  trans82.8124.8148.6-79.1-69.610300123.6
380R27.1Very low29.7Very low209 Ų209140.7 Ų140.779%0.78977%0.772SS**  trans67.8108.9139.6-96.1-178.6172.8-159.6-4.4125.7
381S25.6Very low29.6Very low86 Ų86138.7 Ų138.760%0.60177%0.771SS**  49.4126.3122.666.60000123.1
382T26.9Very low29.6Very low129 Ų129140.8 Ų140.879%0.79178%0.775SS**  174.9168.5106.131.80000114.1
383S29.3Very low29.7Very low115 Ų115143 Ų14380%0.80478%0.777SS**  trans57.4113.6154.448.50000123.3
384R30.6Very low29.5Very low242 Ų242138.8 Ų138.891%0.91377%0.772SS**  trans-72176.1139.7-119.4-172.8173.8-172-0.7109.5
385P42.2Very low29.6Very low105 Ų105140.2 Ų140.268%0.68277%0.774SS**  cis-140.1-161.67.442.7-22.6000115.9
386S28.8Very low29.6Very low106 Ų106140.8 Ų140.874%0.74178%0.776SS**  trans80151.5161.191.90000116.2
387T26.9Very low29.4Very low131 Ų131139.9 Ų139.980%0.80478%0.782SS**  cis-153.6167.9-20.7-10000111.5
388S26.6Very low29.3Very low103 Ų103140.5 Ų140.572%0.7279%0.787SS**  trans-32.5137.2168.7151.60000117.9
389T30.1Very low28.4Very low137 Ų137141 Ų14184%0.8479%0.788SS**  trans-138.8138.2134.8-60.60000110.3
390K29.4Very low28.3Very low188 Ų188142.1 Ų142.182%0.81780%0.798SS**  trans-82141.5170.6-62.3170.3180171.60110
391L27.3Very low28.3Very low165 Ų165139.2 Ų139.286%0.86480%0.797SS**  trans-132.2111.5152.3-93.6173.5000110.7
392S26.4Very low28.4Very low113 Ų113141.1 Ų141.179%0.7981%0.81SS**  trans-91.2124.4167.350.80000109.2
393L29.3Very low28.5Very low160 Ų160139.8 Ų139.884%0.83881%0.806SS**  trans-117.7109.9165.1-78.4173.4000109.8
394S24.2Very low28.5Very low108 Ų108142.4 Ų142.476%0.75581%0.809SS**  trans-80.8128.6162.9178.50000107.9
395I29.9Very low28.3Very low161 Ų161135.6 Ų135.683%0.82680%0.799SS**  trans-112.7121165.5-63-178.9000106.6
396K27Very low27.6Very low185 Ų185139.7 Ų139.780%0.80481%0.809SS**  trans-77.3151.9179.6-66.3179.6179.4178.50110.3
397S25.3Very low27.6Very low121 Ų121141.6 Ų141.685%0.84680%0.804SS**  trans-56.2141.6167.6-41.60000111.3
398S27.1Very low27.6Very low121 Ų121141.2 Ų141.285%0.84681%0.806SS**  trans-115.5128.415850.40000109.1
399T26.8Very low27.8Very low123 Ų123142.6 Ų142.676%0.75580%0.801SS**  trans-91131.8177-40.50000108.9
400L27.8Very low27.7Very low177 Ų177142 Ų14293%0.92779%0.793SS**  trans-134.7134.8153.6-89.6178.9000109.7
401L27.7Very low27.7Very low148 Ų148140.7 Ų140.778%0.77579%0.787SS**  trans-89.5145.5175.7-71.3157.7000109.4
402S27.7Very low27.8Very low125 Ų125137.9 Ų137.987%0.87478%0.778SS**  trans-140122140.852.50000108.2
403S27.1Very low27.9Very low101 Ų101139.6 Ų139.671%0.70678%0.778SS**  trans-98.5133.4179.6-540000109
404I29.3Very low28Very low170 Ų170136.1 Ų136.187%0.87277%0.772SS**  trans-120134.7152-65-177.6000106.2
405S27.1Very low28.3Very low99 Ų99138 Ų13869%0.69278%0.779SS**  trans-121.2128.1-174173.30000108.6
406E28Very low28.3Very low191 Ų191135.6 Ų135.689%0.89378%0.777SS**  trans-119.9133156.2-69.4-167.914400108
407K28.4Very low28.3Very low147 Ų147135.1 Ų135.164%0.63978%0.782SS**  trans-94.7144.7177.8-83.9-177.2143.4-150.20109.7E409K407-E409 WeakPolarHBondContact CE-OE1 3.34Å; K407-E409 WeakPolarHBondContact CE-OE2 3.28Å; K407-E409 IonicContact NZ-OE1 3.39Å; K407-E409 PolarHBondContact NZ-OE1 3.39Å; K407-E409 IonicContact NZ-OE2 3.65Å; K407-E409 PolarHBondContact NZ-OE2 3.01Å
408S27.4Very low28.4Very low122 Ų122134.2 Ų134.285%0.85378%0.776SS**  trans-142.7103.4137.533.90000109.6
409E29.5Very low28.5Very low132 Ų132135 Ų13562%0.61778%0.775SS**  trans-68.4156.4147.7-67.2132.8162.300107K407K407-E409 WeakPolarHBondContact CE-OE1 3.34Å; K407-E409 WeakPolarHBondContact CE-OE2 3.28Å; K407-E409 IonicContact NZ-OE1 3.39Å; K407-E409 PolarHBondContact NZ-OE1 3.39Å; K407-E409 IonicContact NZ-OE2 3.65Å; K407-E409 PolarHBondContact NZ-OE2 3.01Å
410D29.2Very low28.7Very low126 Ų126138.2 Ų138.267%0.67478%0.779SS**  cis-147.5-161.217.1-143.6-5.9000107.3
411K29.5Very low28.7Very low159 Ų159135 Ų13569%0.69177%0.771SS**  cis-157.4-157.611.4-147.4160.8-170.974.20111.5
412T29Very low28.7Very low107 Ų107136.1 Ų136.166%0.65677%0.773SS**  trans-50.4160.3166.947.80000114
413D27.3Very low28.8Very low149 Ų149139.6 Ų139.680%0.79777%0.772SS**  cis-151.6168.945-134.6-29.1000117.4
414A33Very low28.7Very low87 Ų87138.4 Ų138.472%0.71978%0.776SS**  trans-135.3120.3178.800000111.6
415T29.9Very low28.7Very low146 Ų146139.7 Ų139.790%0.89678%0.778SS**  trans-135.6133.2167.817.60000111.3
416S30.5Very low28.8Very low111 Ų111140 Ų14078%0.77678%0.779SS**  trans-90.7158.2167.954.50000110.4
417L27.4Very low28.9Very low175 Ų175136.2 Ų136.292%0.91677%0.774SS**  trans-162.4159.2149.7-111.9165000110.2
418S27.4Very low29Very low103 Ų103134.5 Ų134.572%0.7278%0.781SS**  trans-149.4136.7-176.871.70000112.8
419T29.4Very low29.1Very low136 Ų136140.3 Ų140.383%0.83478%0.784SS**  trans-142.2111.9162.944.60000106.3
420K29.6Very low29.3Very low191 Ų191142.4 Ų142.483%0.8379%0.791SS**  59.8110.166-97.6-173.7176.3179.50115.4
421S27.5Very low29.4Very low109 Ų109142.7 Ų142.776%0.76280%0.797SS**  trans64.8153.3141.756.50000118.3
422E28.1Very low29.4Very low173 Ų173143 Ų14381%0.80880%0.802SS**  cis-130.3163.916.9-75.6-173.7123.700111.6
423K29.3Very low29.6Very low198 Ų198144.2 Ų144.286%0.86181%0.809SS**  cis97.5127.932.7-136.5-173.8-170.6-173.30113.3
424G26.5Very low30.5Very low76 Ų76142.9 Ų142.978%0.78481%0.808SS**  trans125.3111.9-177.200000112.8
425H29Very low30.7Very low197 Ų197145.8 Ų145.891%0.91281%0.811SS**  cis108.483.2-3.5-132.974.5000118.2
426S28.2Very low31.6Very low104 Ų104145 Ų14573%0.72781%0.809SS**  trans-177112.5153.448.40000109.7
427S29.8Very low31.7Very low113 Ų113148.2 Ų148.279%0.7981%0.811SS**  53.7120.588.271.10000113.9
428S31.1Very low31.8Very low110 Ų110143 Ų14377%0.76980%0.799SS**  cis-171-170.640.557.90000109.1
429R30.9Very low32Very low244 Ų244147.6 Ų147.692%0.92181%0.806SS**  cis-155.7-178.614.7-145.2174.6-164.5-175.55.2110.5
430K33Very low32.2Very low176 Ų176145 Ų14577%0.76580%0.798SS**  trans-95.2155.4-176.7-53.8174.6177.6-178.30114.3
431T30.2Very low32.3Very low132 Ų132145 Ų14581%0.8180%0.798SS**  trans-178.2122.1130.8320000106.7
432E29.5Very low32.5Very low167 Ų167149.3 Ų149.378%0.7880%0.803SS**  96.4140.754.3-78.3-175.1-16800115.3
433T33.7Very low32.8Very low131 Ų131150.5 Ų150.580%0.80481%0.809SS**  trans-73.5169.6-168.515.80000114.8
434P47.3Very low32.9Very low121 Ų121149.6 Ų149.679%0.78681%0.807SS**  -154.1178.650.843-20.3000120.9
435L35.5Very low33.2Very low149 Ų149157.9 Ų157.978%0.7882%0.815SS**  trans-74.8168.4166.2-67161.6000112.8
436P49.7Very low33.4Very low130 Ų130157.4 Ų157.484%0.84481%0.81SS**  trans-119.8166.1138.336.4-30.1000114
437H33.3Very low33.6Very low178 Ų178162 Ų16282%0.82482%0.817SS**  trans-123.6144-169.6-110.7-36.2000113.1
438G28.9Very low33.7Very low64 Ų64167.3 Ų167.366%0.6682%0.82SS**  trans-162.6125.6154.200000109.6
439K32.1Very low33.8Very low200 Ų200166.8 Ų166.887%0.8782%0.816SS**  cis69.5125.847.3-65.7-176.9179173.30112.2
440A33.7Very low33.9Very low81 Ų81165 Ų16567%0.66982%0.815SS**  cis-165.8177.21.400000114.7
441K32.1Very low34Very low192 Ų192166.8 Ų166.884%0.83582%0.823SS**  trans68115.4155.7-70.6165.9-177.7175.80117.3
442K31.5Very low33.9Very low199 Ų199164 Ų16487%0.86582%0.819SS**  67.5117.177.8-81.9-169.6173.6-1770114.9
443Q32.9Very low34.1Very low199 Ų199165.9 Ų165.993%0.9383%0.825SS**  -164.2157.3110.5-106.5-17448.500113.5
444H31.7Very low34.1Very low178 Ų178164.9 Ų164.982%0.82482%0.824SS**  trans-91.7155.4170.5-71.5-69000111
445R32.5Very low33.3Very low251 Ų251164.2 Ų164.295%0.94782%0.822SS**  -153.1141.3124.4-134.2166.6178.8165.9-1.6114.3
446K34.1Very low33.1Very low186 Ų186162.1 Ų162.181%0.80982%0.82SS**  trans-91.8147.8168.8-63.9173.2176.51750110
447K32.2Very low32.2Very low202 Ų202161.3 Ų161.388%0.87882%0.817SS**  trans156.2165.7132.8-87.2171.1-179.4-174.30110.7
448R32.7Very low32.2Very low224 Ų224159.7 Ų159.785%0.84581%0.81SS**  cis179.4115.8-40.2-160.9-171.4-170.5-170.83.9107.8
449S33.1Very low32.4Very low98 Ų98165.9 Ų165.969%0.68582%0.822SS**  trans38.7124.9153.465.90000123.1
450K32.3Very low32.5Very low207 Ų207163.8 Ų163.890%0.981%0.813SS**  trans179.6139.7135.7-97.5165.6-177.3-172.90106.7
451K34.7Very low32.7Very low214 Ų214167.9 Ų167.993%0.9382%0.822SS**  cis89.2109.420.6-154.6179.2-173.5-178.30114.9
452G29Very low32.8Very low72 Ų72167 Ų16774%0.74282%0.818SS**  trans134.9120.1-171.500000107.6
453K33.6Very low32.8Very low207 Ų207163 Ų16390%0.981%0.81SS**  cis87.8132.320.6-138.3-170.3-170.6-164.10114.4
454S32.3Very low32.8Very low111 Ų111162.5 Ų162.578%0.77681%0.805SS**  trans66.4151.2176.820.10000117.5
455S31.9Very low33Very low106 Ų106162.8 Ų162.874%0.74181%0.807SS**  cis-178.7153.1-22.947.60000112.4
456S31Very low33.1Very low106 Ų106159.9 Ų159.974%0.74180%0.801SS**  trans65.1113.7148.3-168.20000121.8
457S31.7Very low33.3Very low112 Ų112161 Ų16178%0.78381%0.805SS**  -177.7115.4122.743.40000108.2
458E33.3Very low33.6Very low144 Ų144158.1 Ų158.167%0.67380%0.795SS**  63.2105.479.6-77.2-139.1111.100115.6K460E458-K460 IonicContact OE1-NZ 3.57Å; E458-K460 PolarHBondContact OE1-NZ 2.66Å
459Q33.1Very low34.3Very low194 Ų194155.2 Ų155.291%0.90780%0.795SS**  -148.7140.5122.2-11317815.200111.2
460K34.1Very low34.8Very low157 Ų157158.7 Ų158.768%0.68380%0.798SS**  trans-107.5133.4176.3-56.7174.2-177.985.20108.5E458E458-K460 IonicContact OE1-NZ 3.57Å; E458-K460 PolarHBondContact OE1-NZ 2.66Å
461I36.1Very low35.1Very low167 Ų167152.1 Ų152.186%0.85679%0.789SS**  trans-125.9126.5152-69.9-174.3000108.2
462K34.6Very low35.6Very low174 Ų174151.9 Ų151.976%0.75779%0.788SS**  trans-79.8164.3171.2-66.5174.1179.4171.90107.3
463T32.3Very low36.3Very low115 Ų115162 Ų16271%0.70681%0.811SS**  -177.3157.265.1-53.50000110.1
464K32.8Very low36.4Very low187 Ų187159.8 Ų159.881%0.81381%0.807SS**  trans5.1148.3155.9-56.8170.3-174.7177.20118
465E34.9Very low36.7Very low185 Ų185162.3 Ų162.386%0.86481%0.808SS**  cis-155.6164.548.6-161.5157.5-149.100116.6
466K36.2Very low36.9Very low190 Ų190165.4 Ų165.483%0.82681%0.812SS**  trans-84.6150.6172.3-56.7177.4176.7-1760110.3
467K37.8Very low37.3Very low208 Ų208168.9 Ų168.990%0.90482%0.816SS**  -159.2130.6114.9-112161.5-175.1171.50113.9
468E38.9Very low37.6Very low142 Ų142172.5 Ų172.566%0.66482%0.818SS**  trans-82.6134.6167.3169-176.7-164.800108.7K470E468-K470 WeakPolarHBondContact OE1-CE 3.47Å; E468-K470 IonicContact OE1-NZ 2.92Å; E468-K470 PolarHBondContact OE1-NZ 2.92Å
469I46.8Very low37.9Very low164 Ų164174.4 Ų174.484%0.84183%0.828SS**  trans-135.2127155.8-62.4-175.6000108.2
470K42.7Very low38.3Very low171 Ų171173 Ų17374%0.74382%0.822SS**  trans-107.2132170.1-77.1172.6179.1137.10110.8E468E468-K470 WeakPolarHBondContact OE1-CE 3.47Å; E468-K470 IonicContact OE1-NZ 2.92Å; E468-K470 PolarHBondContact OE1-NZ 2.92Å
471G39.3Very low38.6Very low69 Ų69174.2 Ų174.271%0.71183%0.833SS**  trans94.9162.913100000119.4
472K45.1Very low38.8Very low209 Ų209174.8 Ų174.891%0.90983%0.831SS**  trans66.5119.8178.9-55.4-179.3180-179.60114
473K44.3Very low39.2Very low284 Ų284174.9 Ų174.9100%1.23584%0.838SS**  cis-118032.6-81.6177.4170.51770114.8

Retrieved 473 of 473 residues in 617.3 ms (Link to these results)

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