A0A5K4F483_SCHMA Loading...

Putative retinal dehydrogenase

AlphaFold DB , UniProt , Accession A0A5K4F483, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 327 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
1M41.5Very low73.3Confident233 Ų233120 Ų120100%1.14864%0.64SS**  0130.60-70.1-174.7164.100108.4K3M1-K3 PolarHBondContact O-N 3.29Å
2P46.7Very low73.6Confident125 Ų125129.7 Ų129.781%0.81266%0.661SS**  trans-54.7130.5170.4-16.328.4000108.1I4P2-I4 PolarHBondContact O-N 3.02Å
3K52.2Low74.3Confident199 Ų199123 Ų12387%0.86562%0.623SS**  trans-54.8118.2171.7-87.5178.3175.7172.10106.7M1 M5M1-K3 PolarHBondContact O-N 3.29Å; K3-M5 PolarHBondContact O-N 3.5Å
4I62.2Low75.5Confident165 Ų165117.9 Ų117.985%0.84660%0.595SS**  trans-55.2106.1170.7-61.2171.8000105.7P2 K6P2-I4 PolarHBondContact O-N 3.02Å; I4-K6 PolarHBondContact O-N 2.85Å
5M69.7Low76.8Confident160 Ų160111.8 Ų111.879%0.78856%0.564SS**  trans-63.9129-180-80.9-166.2-89.900107.5K3 E7K3-M5 PolarHBondContact O-N 3.5Å; M5-E7 PolarHBondContact O-N 2.72Å
6K86.5Confident78Confident162 Ų162104.8 Ų104.870%0.70453%0.529SS*.  trans-57.4118.1172.7-72.9-173.2178.1-178.40108.2I4 T8 I17I4-K6 PolarHBondContact O-N 2.85Å; K6-T8 VanDerWaalsContact C-N 3.29Å; K6-I17 WeakPolarHBondContact O-CD1 3.49Å; K6-I17 WeakPolarHBondContact O-CG1 3.34Å
7E92.6Very high79.1Confident47 Ų4799.1 Ų99.122%0.2250%0.5CS..  trans-82-10.2177.9-64.4-176.2132.900112.8M5 I17 I18 Y279 T283M5-E7 PolarHBondContact O-N 2.72Å; E7-I17 WeakPolarHBondContact O-CG1 3.39Å; E7-I17 PolarHBondContact O-N 3.07Å; E7-I18 HydrophobicContact CB-CD1 4.04Å; E7-I18 HydrophobicContact CB-CG1 3.69Å; E7-I18 HydrophobicContact CG-CD1 4.24Å; E7-I18 HydrophobicContact CG-CG1 3.93Å; E7-Y279 HydrophobicContact CB-CD2 4.47Å; E7-Y279 HydrophobicContact CB-CE2 3.75Å; E7-Y279 WeakPolarHBondContact OE2-CE2 3.33Å; E7-Y279 VanDerWaalsContact OE2-CZ 3.31Å; E7-Y279 PolarHBondContact OE2-OH 2.96Å; E7-T283 PolarHBondContact OE1-OG1 3.23Å; E7-T283 PolarHBondContact OE2-OG1 2.92Å
8T93.9Very high80Confident26 Ų2694.7 Ų94.716%0.1648%0.478CS..EExtended strand (participates in β ladder)trans-139.9153.4-176.366.20000112.3K6 K14 L15 Y279 C295K6-T8 VanDerWaalsContact C-N 3.29Å; T8-K14 HydrophobicContact CG2-CD 4.47Å; T8-L15 CarbonylContact C-O 3.58Å; T8-L15 WeakPolarHBondContact CA-O 3.04Å; T8-L15 WeakPolarHBondContact CB-O 3.39Å; T8-Y279 HydrophobicContact CG2-CD2 3.82Å; T8-Y279 HydrophobicContact CG2-CE2 3.86Å; T8-C295 HydrophobicContact CG2-CB 3.41Å; T8-C295 VanDerWaalsContact CG2-CB 3.41Å
9I92.6Very high80.8Confident56 Ų5694 Ų9429%0.28748%0.476SS..EExtended strand (participates in β ladder)trans-125156.3170.261.9176.6000111.4K14 L15 I17 A85 C86I9-K14 CarbonylContact O-C 3.45Å; I9-K14 WeakPolarHBondContact O-CA 3.17Å; I9-L15 HydrophobicContact CD1-CD1 4.32Å; I9-L15 HydrophobicContact CG1-CB 3.95Å; I9-L15 HydrophobicContact CG1-CD1 4.42Å; I9-L15 HydrophobicContact CG1-CG 4.47Å; I9-L15 PolarHBondContact N-O 3.1Å; I9-L15 PolarHBondContact O-N 2.88Å; I9-I17 HydrophobicContact CB-CG2 4.29Å; I9-I17 HydrophobicContact CD1-CG2 3.74Å; I9-I17 HydrophobicContact CG1-CG2 3.63Å; I9-I17 HydrophobicContact CG2-CD1 3.51Å; I9-I17 HydrophobicContact CG2-CG1 4.02Å; I9-I17 HydrophobicContact CG2-CG2 3.87Å; I9-A85 WeakPolarHBondContact CD1-O 3.41Å; I9-C86 HydrophobicContact CD1-CB 3.79Å
10G89.7Confident81.6Confident56 Ų5692.9 Ų92.958%0.57747%0.468SS*.  trans94.1161.5-177.300000113.3K14G10-K14 WeakPolarHBondContact O-CG 3.31Å
11S78.8Confident82.4Confident91 Ų9191.6 Ų91.664%0.63646%0.457SS*.SBendtrans-109.1-52.6-177.851.90000112.5
12W76.2Confident85.1Confident236 Ų23680.7 Ų80.789%0.89440%0.403SS*.SBendtrans-80.6-49.5-177.4-59.5104.2000112.5N294W12-N294 PolarHBondContact O-ND2 2.72Å
13R83.1Confident87.5Confident43 Ų4379.3 Ų79.316%0.16239%0.389CS..SBendtrans-124.5105172.9-176.766.5-175.1179.24.5109P240 G241 T268 K272 G273 N294R13-P240 PolarHBondContact NH1-O 3.49Å; R13-P240 VanDerWaalsContact NH1-O 3.1Å; R13-P240 PolarHBondContact NH2-O 2.94Å; R13-G241 VanDerWaalsContact NH1-CA 3.31Å; R13-T268 HydrophobicContact CG-CG2 4.33Å; R13-K272 PolarHBondContact NE-O 2.96Å; R13-K272 PolarHBondContact NH2-O 3.12Å; R13-G273 PolarHBondContact NH2-O 3.3Å; R13-N294 WeakPolarHBondContact CA-OD1 3.22Å
14K91.3Very high89.7Confident52 Ų5272.5 Ų72.523%0.22638%0.375CS..PPolyproline II helixtrans-73.8135179.5-71.1-175.4-175.9176.70110.5T8 I9 G10 N294 C295 T296T8-K14 HydrophobicContact CG2-CD 4.47Å; I9-K14 CarbonylContact O-C 3.45Å; I9-K14 WeakPolarHBondContact O-CA 3.17Å; G10-K14 WeakPolarHBondContact O-CG 3.31Å; K14-N294 WeakPolarHBondContact CD-O 3.29Å; K14-N294 PolarHBondContact N-OD1 3.18Å; K14-C295 HydrophobicContact CB-CB 4.18Å; K14-T296 PolarHBondContact NZ-OG1 2.95Å
15L94.8Very high91.4Very high26 Ų2667.9 Ų67.914%0.13635%0.349CS..EExtended strand (participates in β ladder)trans-100.7141.5169.8-51.5178.2000108.7T8 I9 A85 W271 K272 Q275T8-L15 CarbonylContact C-O 3.58Å; T8-L15 WeakPolarHBondContact CA-O 3.04Å; T8-L15 WeakPolarHBondContact CB-O 3.39Å; I9-L15 HydrophobicContact CD1-CD1 4.32Å; I9-L15 HydrophobicContact CG1-CB 3.95Å; I9-L15 HydrophobicContact CG1-CD1 4.42Å; I9-L15 HydrophobicContact CG1-CG 4.47Å; I9-L15 PolarHBondContact N-O 3.1Å; I9-L15 PolarHBondContact O-N 2.88Å; L15-A85 HydrophobicContact CB-CB 3.97Å; L15-A85 HydrophobicContact CD1-CB 4.26Å; L15-W271 HydrophobicContact CD1-CH2 3.91Å; L15-W271 HydrophobicContact CD1-CZ3 4.27Å; L15-W271 HydrophobicContact CD2-CH2 4.15Å; L15-W271 HydrophobicContact CD2-CZ3 4.01Å; L15-K272 HydrophobicContact CD2-CG 4.21Å; L15-Q275 HydrophobicContact CD2-CG 3.81Å
16C96Very high92.8Very high0 Ų061.2 Ų61.20%032%0.317CS..EExtended strand (participates in β ladder)trans-70.9129.2172.8-176.70000108.7A85 L278C16-A85 WeakPolarHBondContact O-CB 2.99Å; C16-L278 HydrophobicContact CB-CB 4.43Å
17I96.5Very high93.4Very high7 Ų753.5 Ų53.54%0.03628%0.283CS..  trans-124.423.3175.761.5151.4000112.5K6 E7 I9 N19 A85 C86 V89K6-I17 WeakPolarHBondContact O-CD1 3.49Å; K6-I17 WeakPolarHBondContact O-CG1 3.34Å; E7-I17 WeakPolarHBondContact O-CG1 3.39Å; E7-I17 PolarHBondContact O-N 3.07Å; I9-I17 HydrophobicContact CB-CG2 4.29Å; I9-I17 HydrophobicContact CD1-CG2 3.74Å; I9-I17 HydrophobicContact CG1-CG2 3.63Å; I9-I17 HydrophobicContact CG2-CD1 3.51Å; I9-I17 HydrophobicContact CG2-CG1 4.02Å; I9-I17 HydrophobicContact CG2-CG2 3.87Å; I17-N19 PolarHBondContact O-N 3.13Å; I17-A85 HydrophobicContact CG2-CB 4.07Å; I17-C86 HydrophobicContact CG2-CB 4.46Å; I17-C86 WeakPolarHBondContact CG2-SG 3.37Å; I17-V89 VanDerWaalsContact C-CG1 3.49Å; I17-V89 VanDerWaalsContact CA-CG1 3.47Å; I17-V89 HydrophobicContact CB-CG1 4.14Å
18I96.4Very high93.7Very high20 Ų2051.3 Ų51.310%0.10327%0.273CS..  trans-67.6121.3172.8-61.9163.4000107.9E7 K20 R47 Y279 L282E7-I18 HydrophobicContact CB-CD1 4.04Å; E7-I18 HydrophobicContact CB-CG1 3.69Å; E7-I18 HydrophobicContact CG-CD1 4.24Å; E7-I18 HydrophobicContact CG-CG1 3.93Å; I18-K20 HydrophobicContact CG2-CB 3.84Å; I18-K20 PolarHBondContact O-N 3.44Å; I18-R47 PolarHBondContact O-NH1 2.96Å; I18-R47 PolarHBondContact O-NH2 2.85Å; I18-Y279 HydrophobicContact CD1-CD2 3.85Å; I18-Y279 HydrophobicContact CD1-CE2 4.05Å; I18-L282 HydrophobicContact CB-CB 4.08Å; I18-L282 HydrophobicContact CD1-CB 3.98Å; I18-L282 HydrophobicContact CG2-CB 3.91Å
19N95.2Very high93.9Very high82 Ų8250 Ų5044%0.43927%0.265SS..  trans-94.369.3-178.6-175.622.9000109.7I17 R88 S91 S92I17-N19 PolarHBondContact O-N 3.13Å; N19-R88 WeakPolarHBondContact CB-O 3.16Å; N19-R88 PolarHBondContact ND2-O 3.2Å; N19-S91 VanDerWaalsContact CG-OG 3.3Å; N19-S91 PolarHBondContact ND2-OG 2.8Å; N19-S91 PolarHBondContact OD1-OG 2.75Å; N19-S92 WeakPolarHBondContact OD1-CB 3.43Å; N19-S92 PolarHBondContact OD1-N 2.86Å; N19-S92 PolarHBondContact OD1-OG 3.2Å; N19-S92 VanDerWaalsContact OD1-OG 3.13Å
20K95.8Very high94.2Very high72 Ų7247.4 Ų47.431%0.31325%0.252SS..  trans-119.3131.9-176.5-179.6168.9-176.7171.50111.3I18 R47 L282I18-K20 HydrophobicContact CG2-CB 3.84Å; I18-K20 PolarHBondContact O-N 3.44Å; K20-R47 PolarHBondContact O-NH1 3.06Å; K20-L282 HydrophobicContact CB-CD2 4.34Å
21R97.8Very high94.5Very high65 Ų6545.6 Ų45.625%0.24523%0.233CC..  trans-83.7155168.6-72.8-58.8-56.6176.7-4.4111.2D23 R46 R47 S92R21-D23 WeakPolarHBondContact CB-OD2 3.16Å; R21-D23 IonicContact CZ-OD1 3.63Å; R21-D23 IonicContact CZ-OD2 2.72Å; R21-D23 IonicContact NE-OD1 3.34Å; R21-D23 IonicContact NE-OD2 3.18Å; R21-D23 PolarHBondContact NE-OD2 3.28Å; R21-D23 IonicContact NH2-OD1 2.95Å; R21-D23 PolarHBondContact NH2-OD1 3Å; R21-D23 IonicContact NH2-OD2 2.66Å; R21-D23 PolarHBondContact NH2-OD2 3.01Å; R21-R46 PolarHBondContact NH1-O 3.44Å; R21-R47 PolarHBondContact NE-O 3.46Å; R21-R47 VanDerWaalsContact NE-O 3.07Å; R21-R47 PolarHBondContact NH1-O 3.37Å; R21-R47 PolarHBondContact NH2-O 2.88Å; R21-R47 VanDerWaalsContact NH2-O 3.15Å; R21-S92 WeakPolarHBondContact CD-O 3.39Å; R21-S92 PolarHBondContact NH1-O 3.13Å
22L98.5Very high95.3Very high4 Ų441.3 Ų41.32%0.02120%0.203CC..  trans-132.124.5-176.5-60.7180000111G24 K25 L44 R47 G48 A49 F130 L282L22-G24 PolarHBondContact O-N 3.38Å; L22-K25 HydrophobicContact CB-CB 4.14Å; L22-K25 HydrophobicContact CB-CG 4.15Å; L22-K25 HydrophobicContact CD2-CG 4.36Å; L22-K25 WeakPolarHBondContact O-CB 3.15Å; L22-K25 WeakPolarHBondContact O-CG 3.37Å; L22-K25 PolarHBondContact O-N 2.98Å; L22-L44 HydrophobicContact CD1-CB 4.38Å; L22-L44 HydrophobicContact CD1-CD2 3.39Å; L22-L44 HydrophobicContact CD1-CG 4.47Å; L22-R47 CarbonylContact C-O 3.5Å; L22-R47 WeakPolarHBondContact CA-O 3.41Å; L22-R47 HydrophobicContact CB-CB 4.2Å; L22-R47 HydrophobicContact CD1-CB 4.01Å; L22-R47 HydrophobicContact CG-CB 4Å; L22-R47 PolarHBondContact N-O 2.84Å; L22-G48 CarbonylContact O-C 3.44Å; L22-A49 HydrophobicContact CB-CB 3.94Å; L22-A49 HydrophobicContact CD1-CB 4.33Å; L22-A49 WeakPolarHBondContact O-CA 3.48Å; L22-A49 PolarHBondContact O-N 3.28Å; L22-F130 HydrophobicContact CD1-CE2 4.2Å; L22-F130 HydrophobicContact CD2-CE2 3.9Å; L22-F130 HydrophobicContact CD2-CZ 3.77Å; L22-L282 HydrophobicContact CD1-CD2 3.95Å; L22-L282 HydrophobicContact CD2-CD2 4.05Å; L22-L282 HydrophobicContact CG-CD2 4.14Å
23D98.2Very high96.1Very high97 Ų9731.6 Ų31.652%0.51917%0.168SC..THydrogen-bonded Turntrans-55133.3175.8-56.1-75.3000110.6R21 K25R21-D23 WeakPolarHBondContact CB-OD2 3.16Å; R21-D23 IonicContact CZ-OD1 3.63Å; R21-D23 IonicContact CZ-OD2 2.72Å; R21-D23 IonicContact NE-OD1 3.34Å; R21-D23 IonicContact NE-OD2 3.18Å; R21-D23 PolarHBondContact NE-OD2 3.28Å; R21-D23 IonicContact NH2-OD1 2.95Å; R21-D23 PolarHBondContact NH2-OD1 3Å; R21-D23 IonicContact NH2-OD2 2.66Å; R21-D23 PolarHBondContact NH2-OD2 3.01Å; D23-K25 PolarHBondContact O-N 2.83Å
24G97.3Very high96.4Very high55 Ų5532 Ų3257%0.56718%0.175SC*.THydrogen-bonded Turntrans71.47.9-17700000115.3L22 K127L22-G24 PolarHBondContact O-N 3.38Å; G24-K127 PolarHBondContact O-NZ 3.11Å
25K98.6Very high96.4Very high68 Ų6830.1 Ų30.130%0.29617%0.171SC..  trans-93.9144.2172.6-57.2-68.4179.11780110.9L22 D23 A49 T50 D129 F130L22-K25 HydrophobicContact CB-CB 4.14Å; L22-K25 HydrophobicContact CB-CG 4.15Å; L22-K25 HydrophobicContact CD2-CG 4.36Å; L22-K25 WeakPolarHBondContact O-CB 3.15Å; L22-K25 WeakPolarHBondContact O-CG 3.37Å; L22-K25 PolarHBondContact O-N 2.98Å; D23-K25 PolarHBondContact O-N 2.83Å; K25-A49 HydrophobicContact CB-CB 4.49Å; K25-A49 CarbonylContact O-C 3.6Å; K25-A49 VanDerWaalsContact O-CA 3.25Å; K25-A49 WeakPolarHBondContact O-CA 3.33Å; K25-A49 WeakPolarHBondContact O-CB 3.38Å; K25-T50 PolarHBondContact O-N 3.12Å; K25-D129 VanDerWaalsContact CA-OD2 3.31Å; K25-D129 WeakPolarHBondContact CA-OD2 3.48Å; K25-D129 HydrophobicContact CB-CB 4.14Å; K25-D129 HydrophobicContact CD-CB 3.84Å; K25-D129 WeakPolarHBondContact CD-OD1 3.43Å; K25-D129 IonicContact NZ-OD1 3.59Å; K25-D129 PolarHBondContact NZ-OD1 3.04Å; K25-F130 HydrophobicContact CB-CE2 3.97Å; K25-F130 HydrophobicContact CG-CE2 4.35Å
26I98.9Very high96.3Very high21 Ų2129.7 Ų29.711%0.10817%0.169CC..EExtended strand (participates in β ladder)trans-115.9126.9179.7-53.4174.3000109.2T50 I52 Y125 K127 I128 D129 F130I26-T50 WeakPolarHBondContact CA-O 3.41Å; I26-I52 HydrophobicContact CG2-CD1 3.77Å; I26-I52 HydrophobicContact CG2-CG1 4.31Å; I26-Y125 HydrophobicContact CD1-CD1 3.75Å; I26-Y125 HydrophobicContact CD1-CE1 4.36Å; I26-K127 HydrophobicContact CD1-CG 4.5Å; I26-I128 HydrophobicContact CB-CD1 4.4Å; I26-I128 HydrophobicContact CG2-CD1 3.7Å; I26-D129 PolarHBondContact N-OD2 3.16Å; I26-D129 PolarHBondContact O-N 3.36Å; I26-F130 PolarHBondContact O-N 3.2Å; I26-F130 VanDerWaalsContact O-N 3.11Å
27A98.9Very high96.2Very high0 Ų029.7 Ų29.70%017%0.169CC..EExtended strand (participates in β ladder)trans-120.4133.4178.300000111.3L44 T50 I51 I52 F130A27-L44 HydrophobicContact CB-CD1 4.09Å; A27-T50 PolarHBondContact N-O 3.22Å; A27-I51 HydrophobicContact CB-CD1 3.88Å; A27-I51 WeakPolarHBondContact O-CA 3.16Å; A27-I52 PolarHBondContact O-N 2.78Å; A27-F130 CarbonylContact C-O 3.42Å; A27-F130 VanDerWaalsContact CA-O 3.3Å; A27-F130 WeakPolarHBondContact CA-O 3.39Å; A27-F130 HydrophobicContact CB-CB 3.86Å; A27-F130 HydrophobicContact CB-CD2 4.1Å; A27-F130 HydrophobicContact CB-CG 4.44Å
28I99Very high96.3Very high0 Ų030 Ų300%017%0.17CC..EExtended strand (participates in β ladder)trans-97.1126.5164.3-63.4167.4000107.6T30 I52 A54 F117 I121 I128 F130 L131 I132 L167I28-T30 HydrophobicContact CG2-CG2 4.48Å; I28-I52 HydrophobicContact CD1-CD1 4.44Å; I28-I52 HydrophobicContact CG1-CB 3.9Å; I28-I52 HydrophobicContact CG1-CD1 3.83Å; I28-I52 HydrophobicContact CG1-CG1 4.45Å; I28-I52 HydrophobicContact CG1-CG2 4.2Å; I28-A54 HydrophobicContact CG2-CB 3.94Å; I28-F117 HydrophobicContact CD1-CE1 4.35Å; I28-F117 HydrophobicContact CD1-CZ 4.43Å; I28-F117 HydrophobicContact CG2-CZ 4.09Å; I28-I121 HydrophobicContact CD1-CG2 4.15Å; I28-I128 HydrophobicContact CD1-CD1 3.8Å; I28-I128 HydrophobicContact CD1-CG1 3.95Å; I28-I128 HydrophobicContact CD1-CG2 4.06Å; I28-I128 HydrophobicContact CG1-CD1 4.05Å; I28-I128 HydrophobicContact CG1-CG2 4.25Å; I28-F130 PolarHBondContact N-O 3.16Å; I28-L131 HydrophobicContact CB-CD1 3.92Å; I28-L131 HydrophobicContact CG2-CD1 3.86Å; I28-I132 PolarHBondContact O-N 2.91Å; I28-L167 HydrophobicContact CD1-CD1 3.6Å
29V98.9Very high96.3Very high0 Ų030.3 Ų30.30%017%0.171CC..EExtended strand (participates in β ladder)trans-122.3114.6174.1-168.80000108.8C32 A41 L44 I51 I52 A54 I132 N134V29-C32 HydrophobicContact CB-CB 3.96Å; V29-C32 HydrophobicContact CG1-CB 3.66Å; V29-C32 PolarHBondContact O-SG 3.41Å; V29-A41 HydrophobicContact CG2-CB 4.38Å; V29-L44 HydrophobicContact CG2-CD1 4.32Å; V29-I51 HydrophobicContact CG2-CG2 4.15Å; V29-I52 PolarHBondContact N-O 3.23Å; V29-I52 VanDerWaalsContact N-O 3.1Å; V29-A54 PolarHBondContact O-N 2.91Å; V29-A54 VanDerWaalsContact O-N 3.16Å; V29-I132 HydrophobicContact CB-CB 4.44Å; V29-I132 HydrophobicContact CG1-CB 4.15Å; V29-I132 HydrophobicContact CG1-CG2 4.35Å; V29-I132 HydrophobicContact CG2-CB 4.27Å; V29-I132 HydrophobicContact CG2-CG1 4.04Å; V29-N134 HydrophobicContact CG1-CB 4.46Å
30T98.7Very high96.5Very high1 Ų126.4 Ų26.41%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-80.8138.3-179.765.80000111.4I28 C32 A54 L106 I132 N134 A135 L163I28-T30 HydrophobicContact CG2-CG2 4.48Å; T30-C32 VanDerWaalsContact C-N 3.31Å; T30-C32 PolarHBondContact O-N 2.69Å; T30-A54 CarbonylContact C-O 3.53Å; T30-A54 WeakPolarHBondContact CA-O 3.34Å; T30-A54 HydrophobicContact CG2-CB 4.32Å; T30-L106 HydrophobicContact CG2-CD2 3.87Å; T30-I132 PolarHBondContact N-O 3.42Å; T30-I132 VanDerWaalsContact N-O 3.08Å; T30-I132 PolarHBondContact OG1-O 3.27Å; T30-N134 WeakPolarHBondContact O-CB 3.49Å; T30-N134 PolarHBondContact O-ND2 3.11Å; T30-N134 PolarHBondContact OG1-N 3.31Å; T30-A135 PolarHBondContact O-N 2.77Å; T30-A135 VanDerWaalsContact O-N 3.13Å; T30-A135 WeakPolarHBondContact OG1-CB 3.23Å; T30-A135 PolarHBondContact OG1-N 3.15Å; T30-L163 HydrophobicContact CG2-CD2 3.83Å
31G94.8Very high96.7Very high18 Ų1823 Ų2319%0.18614%0.135CC..THydrogen-bonded Turntrans60.938.2176.800000113.1N33 A54 N134G31-N33 VanDerWaalsContact C-N 3.28Å; G31-N33 PolarHBondContact O-N 3.35Å; G31-A54 PolarHBondContact N-O 2.88Å; G31-N134 PolarHBondContact O-ND2 2.8Å
32C95.9Very high96.7Very high0 Ų019.9 Ų19.90%012%0.124CC..THydrogen-bonded Turntrans-89.115.3-177.567.10000114.2V29 T30 T34 G37 F38 A41 M53V29-C32 HydrophobicContact CB-CB 3.96Å; V29-C32 HydrophobicContact CG1-CB 3.66Å; V29-C32 PolarHBondContact O-SG 3.41Å; T30-C32 VanDerWaalsContact C-N 3.31Å; T30-C32 PolarHBondContact O-N 2.69Å; C32-T34 PolarHBondContact O-N 3.46Å; C32-G37 WeakPolarHBondContact CB-O 3.21Å; C32-F38 VanDerWaalsContact O-CA 3.3Å; C32-F38 WeakPolarHBondContact O-CA 3.49Å; C32-A41 HydrophobicContact CB-CB 4.03Å; C32-M53 VanDerWaalsContact SG-CA 3.54Å; C32-M53 VanDerWaalsContact SG-CB 3.53Å
33N93.2Very high96.7Very high32 Ų3219.8 Ų19.817%0.17112%0.123CC..THydrogen-bonded Turntrans-78-6.4175.465.9-75.9000113.5G31 R60 A64G31-N33 VanDerWaalsContact C-N 3.28Å; G31-N33 PolarHBondContact O-N 3.35Å; N33-R60 HydrophobicContact CB-CB 4.47Å; N33-A64 VanDerWaalsContact CA-CB 3.49Å; N33-A64 HydrophobicContact CB-CB 3.94Å; N33-A64 WeakPolarHBondContact O-CB 3.2Å
34T90.7Very high96.7Very high51 Ų5115.2 Ų15.231%0.31310%0.098SC..SBendtrans-158171.9175.4-172.90000110.8C32 F38 E246C32-T34 PolarHBondContact O-N 3.46Å; T34-F38 PolarHBondContact O-N 2.65Å; T34-E246 PolarHBondContact OG1-OE1 3.27Å
35G90.4Very high96.8Very high13 Ų1312.6 Ų12.613%0.1347%0.072CC..Hα-helixtrans60.3-141.6165.200000115G37 F38 H39G35-G37 VanDerWaalsContact C-N 3.3Å; G35-G37 PolarHBondContact O-N 2.75Å; G35-F38 WeakPolarHBondContact O-CB 3.3Å; G35-F38 PolarHBondContact O-N 2.89Å; G35-H39 PolarHBondContact O-CD2 3.1Å; G35-H39 PolarHBondContact O-N 3.43Å
36I92.4Very high96.8Very high17 Ų179.4 Ų9.49%0.0876%0.058CC..Hα-helixtrans-62.1-39.6-175.5-64.6156.1000111.2F38 H39 T40 P240 V243 T245 A274I36-F38 VanDerWaalsContact C-N 3.33Å; I36-F38 PolarHBondContact O-N 3.18Å; I36-H39 PolarHBondContact O-N 2.82Å; I36-T40 WeakPolarHBondContact O-CB 3.28Å; I36-T40 PolarHBondContact O-N 2.83Å; I36-T40 PolarHBondContact O-OG1 3.02Å; I36-P240 HydrophobicContact CD1-CB 3.58Å; I36-P240 HydrophobicContact CD1-CG 3.71Å; I36-P240 HydrophobicContact CG1-CB 4.46Å; I36-V243 HydrophobicContact CD1-CB 4.21Å; I36-V243 HydrophobicContact CD1-CG1 4.43Å; I36-V243 HydrophobicContact CD1-CG2 3.9Å; I36-V243 HydrophobicContact CG1-CB 4.43Å; I36-V243 HydrophobicContact CG1-CG1 4.14Å; I36-V243 HydrophobicContact CG1-CG2 4.12Å; I36-T245 HydrophobicContact CD1-CG2 4.46Å; I36-A274 HydrophobicContact CG2-CB 4.26Å
37G95.2Very high96.8Very high0 Ų08.4 Ų8.40%05%0.053CC..Hα-helixtrans-61.9-40.7178.700000112.1C32 G35 T40 A41 N134C32-G37 WeakPolarHBondContact CB-O 3.21Å; G35-G37 VanDerWaalsContact C-N 3.3Å; G35-G37 PolarHBondContact O-N 2.75Å; G37-T40 PolarHBondContact O-N 2.93Å; G37-A41 WeakPolarHBondContact O-CB 3.44Å; G37-A41 PolarHBondContact O-N 3Å; G37-N134 VanDerWaalsContact CA-ND2 3.32Å; G37-N134 WeakPolarHBondContact CA-ND2 3.48Å; G37-N134 PolarHBondContact N-OD1 2.97Å
38F97.3Very high96.8Very high13 Ų138.9 Ų8.96%0.0576%0.058CC..Hα-helixtrans-58.1-51.5176.4177-88.4000112.3C32 T34 G35 I36 T40 A41 S42 A64 H67 L68 M71 Y72C32-F38 VanDerWaalsContact O-CA 3.3Å; C32-F38 WeakPolarHBondContact O-CA 3.49Å; T34-F38 PolarHBondContact O-N 2.65Å; G35-F38 WeakPolarHBondContact O-CB 3.3Å; G35-F38 PolarHBondContact O-N 2.89Å; I36-F38 VanDerWaalsContact C-N 3.33Å; I36-F38 PolarHBondContact O-N 3.18Å; F38-T40 VanDerWaalsContact C-N 3.35Å; F38-T40 PolarHBondContact O-N 2.9Å; F38-A41 PolarHBondContact O-N 2.92Å; F38-S42 WeakPolarHBondContact O-CB 3.23Å; F38-S42 PolarHBondContact O-N 3.3Å; F38-A64 HydrophobicContact CD2-CB 4.24Å; F38-A64 HydrophobicContact CE2-CB 4.4Å; F38-A64 WeakPolarHBondContact CE2-O 3.41Å; F38-H67 HydrophobicContact CE2-CB 4.33Å; F38-H67 AromaticContact CE2-CD2 3.94Å; F38-H67 HydrophobicContact CZ-CB 4.42Å; F38-H67 AromaticContact CZ-CD2 3.48Å; F38-H67 VanDerWaalsContact CZ-CD2 3.48Å; F38-H67 WeakPolarHBondContact CZ-CD2 3.47Å; F38-L68 HydrophobicContact CD1-CD2 4.24Å; F38-L68 HydrophobicContact CD2-CD2 4.08Å; F38-L68 HydrophobicContact CD2-CG 4.06Å; F38-L68 HydrophobicContact CE1-CD2 3.78Å; F38-L68 HydrophobicContact CE2-CD1 4.39Å; F38-L68 HydrophobicContact CE2-CD2 3.62Å; F38-L68 HydrophobicContact CE2-CG 3.49Å; F38-L68 VanDerWaalsContact CE2-CG 3.49Å; F38-L68 HydrophobicContact CG-CD2 4.37Å; F38-L68 HydrophobicContact CZ-CD2 3.44Å; F38-L68 VanDerWaalsContact CZ-CD2 3.44Å; F38-L68 HydrophobicContact CZ-CG 3.75Å; F38-M71 HydrophobicContact CE1-SD 4.21Å; F38-M71 HydrophobicContact CZ-SD 4.26Å; F38-Y72 HydrophobicContact CE1-CE2 4.35Å
39H97.5Very high96.8Very high27 Ų278.9 Ų8.913%0.1256%0.058CC..Hα-helixtrans-74.1-25.9179.2-68.1-86.1000113.3G35 I36 S42 E43 D83 W271 A274G35-H39 PolarHBondContact O-CD2 3.1Å; G35-H39 PolarHBondContact O-N 3.43Å; I36-H39 PolarHBondContact O-N 2.82Å; H39-S42 WeakPolarHBondContact CA-OG 3.35Å; H39-S42 PolarHBondContact O-OG 3.01Å; H39-S42 VanDerWaalsContact O-OG 3.08Å; H39-E43 PolarHBondContact O-N 3.31Å; H39-E43 VanDerWaalsContact O-N 3.11Å; H39-D83 IonicContact CE1-OD2 3.86Å; H39-D83 PolarHBondContact CE1-OD2 3.03Å; H39-D83 IonicContact ND1-OD2 3.7Å; H39-D83 PolarHBondContact ND1-OD2 3.26Å; H39-W271 HydrophobicContact CB-CB 4.38Å; H39-W271 PolarHBondContact CD2-N 2.9Å; H39-W271 VanDerWaalsContact CD2-N 3.27Å; H39-W271 AromaticContact ND1-CD1 3.83Å; H39-A274 HydrophobicContact CB-CB 3.98Å
40T98.6Very high96.7Very high0 Ų010.8 Ų10.80%07%0.069CC..Hα-helixtrans-65.5-49.3171.2-57.40000109.7I36 G37 F38 S42 L44 I132 A274 T277I36-T40 WeakPolarHBondContact O-CB 3.28Å; I36-T40 PolarHBondContact O-N 2.83Å; I36-T40 PolarHBondContact O-OG1 3.02Å; G37-T40 PolarHBondContact O-N 2.93Å; F38-T40 VanDerWaalsContact C-N 3.35Å; F38-T40 PolarHBondContact O-N 2.9Å; T40-S42 VanDerWaalsContact C-N 3.34Å; T40-S42 PolarHBondContact O-N 2.98Å; T40-L44 HydrophobicContact CG2-CD1 3.99Å; T40-L44 HydrophobicContact CG2-CG 4.5Å; T40-L44 WeakPolarHBondContact O-CB 3.38Å; T40-L44 VanDerWaalsContact O-CG 3.22Å; T40-L44 WeakPolarHBondContact O-CG 3.44Å; T40-L44 PolarHBondContact O-N 3.06Å; T40-L44 VanDerWaalsContact O-N 3.11Å; T40-I132 HydrophobicContact CG2-CG2 4.4Å; T40-A274 WeakPolarHBondContact OG1-CB 3.1Å; T40-T277 HydrophobicContact CG2-CG2 3.68Å
41A98.8Very high96.8Very high0 Ų010.8 Ų10.80%07%0.069CC..Hα-helixtrans-58.9-45175.500000111.6V29 C32 G37 F38 E43 L44 A45 I51V29-A41 HydrophobicContact CG2-CB 4.38Å; C32-A41 HydrophobicContact CB-CB 4.03Å; G37-A41 WeakPolarHBondContact O-CB 3.44Å; G37-A41 PolarHBondContact O-N 3Å; F38-A41 PolarHBondContact O-N 2.92Å; A41-E43 PolarHBondContact O-N 3.47Å; A41-L44 PolarHBondContact O-N 3.49Å; A41-A45 WeakPolarHBondContact O-CB 3.49Å; A41-A45 PolarHBondContact O-N 2.86Å; A41-I51 HydrophobicContact CB-CG2 3.95Å
42S98.6Very high97Very high1 Ų19.9 Ų9.91%0.0076%0.06CC..Hα-helixtrans-60.1-49.2-179.3830000112.3F38 H39 T40 A45 R46F38-S42 WeakPolarHBondContact O-CB 3.23Å; F38-S42 PolarHBondContact O-N 3.3Å; H39-S42 WeakPolarHBondContact CA-OG 3.35Å; H39-S42 PolarHBondContact O-OG 3.01Å; H39-S42 VanDerWaalsContact O-OG 3.08Å; T40-S42 VanDerWaalsContact C-N 3.34Å; T40-S42 PolarHBondContact O-N 2.98Å; S42-A45 PolarHBondContact O-N 2.7Å; S42-R46 WeakPolarHBondContact O-CB 3.25Å; S42-R46 WeakPolarHBondContact O-CG 3.37Å; S42-R46 PolarHBondContact O-N 3.34Å
43E98.7Very high97.1Very high2 Ų29.9 Ų9.91%0.0096%0.06CC..Hα-helixtrans-73.1-34.1-176.2-170.3173.2144.300111.9H39 A41 R46 R47 L93 L278H39-E43 PolarHBondContact O-N 3.31Å; H39-E43 VanDerWaalsContact O-N 3.11Å; A41-E43 PolarHBondContact O-N 3.47Å; E43-R46 PolarHBondContact O-N 2.75Å; E43-R47 WeakPolarHBondContact O-CB 3.39Å; E43-R47 WeakPolarHBondContact O-CD 3.33Å; E43-R47 WeakPolarHBondContact O-CG 3.28Å; E43-R47 PolarHBondContact O-N 3.06Å; E43-R47 IonicContact OE1-CZ 3.63Å; E43-R47 IonicContact OE1-NE 2.72Å; E43-R47 PolarHBondContact OE1-NE 3.45Å; E43-R47 VanDerWaalsContact OE1-NE 3.1Å; E43-R47 IonicContact OE1-NH2 3.58Å; E43-R47 PolarHBondContact OE1-NH2 3.21Å; E43-L93 HydrophobicContact CG-CD2 3.88Å; E43-L278 HydrophobicContact CB-CD1 4Å; E43-L278 HydrophobicContact CB-CD2 3.77Å; E43-L278 VanDerWaalsContact CD-CD1 3.42Å; E43-L278 HydrophobicContact CG-CD1 4.17Å; E43-L278 HydrophobicContact CG-CD2 4.04Å; E43-L278 WeakPolarHBondContact OE2-CD1 3.42Å
44L98.9Very high97.4Very high0 Ų08.5 Ų8.50%05%0.053CC..Hα-helixtrans-63.5-42.7172-65.7175.8000111.6L22 A27 V29 T40 A41 R47 G48 A49 I51 I132 L278 A281L22-L44 HydrophobicContact CD1-CB 4.38Å; L22-L44 HydrophobicContact CD1-CD2 3.39Å; L22-L44 HydrophobicContact CD1-CG 4.47Å; A27-L44 HydrophobicContact CB-CD1 4.09Å; V29-L44 HydrophobicContact CG2-CD1 4.32Å; T40-L44 HydrophobicContact CG2-CD1 3.99Å; T40-L44 HydrophobicContact CG2-CG 4.5Å; T40-L44 WeakPolarHBondContact O-CB 3.38Å; T40-L44 VanDerWaalsContact O-CG 3.22Å; T40-L44 WeakPolarHBondContact O-CG 3.44Å; T40-L44 PolarHBondContact O-N 3.06Å; T40-L44 VanDerWaalsContact O-N 3.11Å; A41-L44 PolarHBondContact O-N 3.49Å; L44-R47 CarbonylContact O-C 3.6Å; L44-R47 WeakPolarHBondContact O-CA 3.06Å; L44-R47 WeakPolarHBondContact O-CB 3.27Å; L44-R47 PolarHBondContact O-N 3.02Å; L44-G48 PolarHBondContact O-N 3Å; L44-A49 HydrophobicContact CB-CB 4.42Å; L44-A49 WeakPolarHBondContact O-CB 3.37Å; L44-A49 PolarHBondContact O-N 3.42Å; L44-A49 VanDerWaalsContact O-N 3.11Å; L44-I51 HydrophobicContact CB-CD1 3.58Å; L44-I132 HydrophobicContact CD1-CG1 4.47Å; L44-L278 HydrophobicContact CD2-CD2 4.17Å; L44-L278 HydrophobicContact CG-CD2 4.24Å; L44-A281 HydrophobicContact CD2-CB 4.21Å
45A98.9Very high97.7Very high1 Ų16.1 Ų6.11%0.0084%0.038CC..Hα-helixtrans-64.8-46.1175.500000112A41 S42 R47 G48 I51 I96 Q100 L101A41-A45 WeakPolarHBondContact O-CB 3.49Å; A41-A45 PolarHBondContact O-N 2.86Å; S42-A45 PolarHBondContact O-N 2.7Å; A45-R47 PolarHBondContact O-N 2.78Å; A45-R47 VanDerWaalsContact O-N 3.13Å; A45-G48 WeakPolarHBondContact O-CA 3.22Å; A45-G48 PolarHBondContact O-N 3.06Å; A45-I51 HydrophobicContact CB-CD1 4.43Å; A45-I51 HydrophobicContact CB-CG1 3.69Å; A45-I96 HydrophobicContact CB-CD1 3.75Å; A45-I96 HydrophobicContact CB-CG1 3.86Å; A45-I96 HydrophobicContact CB-CG2 4.01Å; A45-Q100 PolarHBondContact O-NE2 3.24Å; A45-L101 HydrophobicContact CB-CD2 3.94Å
46R98.6Very high98Very high1 Ų112.9 Ų12.90%0.0046%0.06CC..Hα-helixtrans-60.4-24.3174.2-70.2171.674.2-162.47.8112R21 S42 E43 G48 Y72 S79 T82 L93 K94 I96R21-R46 PolarHBondContact NH1-O 3.44Å; S42-R46 WeakPolarHBondContact O-CB 3.25Å; S42-R46 WeakPolarHBondContact O-CG 3.37Å; S42-R46 PolarHBondContact O-N 3.34Å; E43-R46 PolarHBondContact O-N 2.75Å; R46-G48 VanDerWaalsContact C-N 3.33Å; R46-Y72 HydrophobicContact CG-CG 4.49Å; R46-S79 PolarHBondContact NH2-O 2.89Å; R46-T82 VanDerWaalsContact CZ-O 3.32Å; R46-T82 PolarHBondContact NH1-O 3.21Å; R46-T82 PolarHBondContact NH2-O 3.47Å; R46-L93 HydrophobicContact CB-CD2 3.99Å; R46-K94 WeakPolarHBondContact CA-O 3.42Å; R46-K94 WeakPolarHBondContact CB-O 3.34Å; R46-K94 WeakPolarHBondContact CG-O 3.44Å; R46-K94 PolarHBondContact O-N 2.87Å; R46-I96 HydrophobicContact CB-CG1 4.49Å; R46-I96 HydrophobicContact CG-CD1 3.91Å; R46-I96 HydrophobicContact CG-CG1 3.54Å
47R98.4Very high98.1Very high0 Ų015.6 Ų15.60%07%0.074CC..THydrogen-bonded Turntrans-84.12.4171.1-70.6170.1-176.7-750.3114I18 K20 R21 L22 E43 L44 A45 S92 L93I18-R47 PolarHBondContact O-NH1 2.96Å; I18-R47 PolarHBondContact O-NH2 2.85Å; K20-R47 PolarHBondContact O-NH1 3.06Å; R21-R47 PolarHBondContact NE-O 3.46Å; R21-R47 VanDerWaalsContact NE-O 3.07Å; R21-R47 PolarHBondContact NH1-O 3.37Å; R21-R47 PolarHBondContact NH2-O 2.88Å; R21-R47 VanDerWaalsContact NH2-O 3.15Å; L22-R47 CarbonylContact C-O 3.5Å; L22-R47 WeakPolarHBondContact CA-O 3.41Å; L22-R47 HydrophobicContact CB-CB 4.2Å; L22-R47 HydrophobicContact CD1-CB 4.01Å; L22-R47 HydrophobicContact CG-CB 4Å; L22-R47 PolarHBondContact N-O 2.84Å; E43-R47 WeakPolarHBondContact O-CB 3.39Å; E43-R47 WeakPolarHBondContact O-CD 3.33Å; E43-R47 WeakPolarHBondContact O-CG 3.28Å; E43-R47 PolarHBondContact O-N 3.06Å; E43-R47 IonicContact OE1-CZ 3.63Å; E43-R47 IonicContact OE1-NE 2.72Å; E43-R47 PolarHBondContact OE1-NE 3.45Å; E43-R47 VanDerWaalsContact OE1-NE 3.1Å; E43-R47 IonicContact OE1-NH2 3.58Å; E43-R47 PolarHBondContact OE1-NH2 3.21Å; L44-R47 CarbonylContact O-C 3.6Å; L44-R47 WeakPolarHBondContact O-CA 3.06Å; L44-R47 WeakPolarHBondContact O-CB 3.27Å; L44-R47 PolarHBondContact O-N 3.02Å; A45-R47 PolarHBondContact O-N 2.78Å; A45-R47 VanDerWaalsContact O-N 3.13Å; R47-S92 PolarHBondContact NH1-OG 3.32Å; R47-L93 HydrophobicContact CG-CD2 3.95Å
48G98.5Very high98.2Very high10 Ų1018.6 Ų18.610%0.1039%0.089CC..THydrogen-bonded Turntrans97.40.7172.300000115.6L22 L44 A45 R46L22-G48 CarbonylContact O-C 3.44Å; L44-G48 PolarHBondContact O-N 3Å; A45-G48 WeakPolarHBondContact O-CA 3.22Å; A45-G48 PolarHBondContact O-N 3.06Å; R46-G48 VanDerWaalsContact C-N 3.33Å
49A98.8Very high98.3Very high0 Ų024.4 Ų24.40%012%0.117CC..  trans-71.4148.217700000110.6L22 K25 L44 I51 Q100L22-A49 HydrophobicContact CB-CB 3.94Å; L22-A49 HydrophobicContact CD1-CB 4.33Å; L22-A49 WeakPolarHBondContact O-CA 3.48Å; L22-A49 PolarHBondContact O-N 3.28Å; K25-A49 HydrophobicContact CB-CB 4.49Å; K25-A49 CarbonylContact O-C 3.6Å; K25-A49 VanDerWaalsContact O-CA 3.25Å; K25-A49 WeakPolarHBondContact O-CA 3.33Å; K25-A49 WeakPolarHBondContact O-CB 3.38Å; L44-A49 HydrophobicContact CB-CB 4.42Å; L44-A49 WeakPolarHBondContact O-CB 3.37Å; L44-A49 PolarHBondContact O-N 3.42Å; L44-A49 VanDerWaalsContact O-N 3.11Å; A49-I51 HydrophobicContact CB-CD1 3.83Å; A49-Q100 PolarHBondContact O-NE2 3.48Å
50T98.9Very high98.2Very high40 Ų4027.1 Ų27.125%0.24513%0.126CC..EExtended strand (participates in β ladder)trans-78.5128.2159.6-56.90000108.1K25 I26 A27 L102K25-T50 PolarHBondContact O-N 3.12Å; I26-T50 WeakPolarHBondContact CA-O 3.41Å; A27-T50 PolarHBondContact N-O 3.22Å; T50-L102 HydrophobicContact CG2-CD1 3.54Å; T50-L102 HydrophobicContact CG2-CG 4.11Å
51I98.9Very high98.2Very high0 Ų027.1 Ų27.10%013%0.126CC..EExtended strand (participates in β ladder)trans-109.2117.5-178.4-49.3-55000109.9A27 V29 A41 L44 A45 A49 M53 Q100 L101 L102A27-I51 HydrophobicContact CB-CD1 3.88Å; A27-I51 WeakPolarHBondContact O-CA 3.16Å; V29-I51 HydrophobicContact CG2-CG2 4.15Å; A41-I51 HydrophobicContact CB-CG2 3.95Å; L44-I51 HydrophobicContact CB-CD1 3.58Å; A45-I51 HydrophobicContact CB-CD1 4.43Å; A45-I51 HydrophobicContact CB-CG1 3.69Å; A49-I51 HydrophobicContact CB-CD1 3.83Å; I51-M53 HydrophobicContact CG2-CG 4Å; I51-M53 PolarHBondContact O-N 3.27Å; I51-Q100 PolarHBondContact N-O 3.12Å; I51-L101 HydrophobicContact CB-CD2 4.07Å; I51-L101 HydrophobicContact CG1-CD2 4.17Å; I51-L102 PolarHBondContact O-N 2.87Å
52I98.9Very high98.2Very high0 Ų031 Ų310%015%0.147CC..EExtended strand (participates in β ladder)trans-85.9102.3164.7-60.1164.1000107.1I26 A27 I28 V29 A54 L102 E104 F117 I121 Y125 I128I26-I52 HydrophobicContact CG2-CD1 3.77Å; I26-I52 HydrophobicContact CG2-CG1 4.31Å; A27-I52 PolarHBondContact O-N 2.78Å; I28-I52 HydrophobicContact CD1-CD1 4.44Å; I28-I52 HydrophobicContact CG1-CB 3.9Å; I28-I52 HydrophobicContact CG1-CD1 3.83Å; I28-I52 HydrophobicContact CG1-CG1 4.45Å; I28-I52 HydrophobicContact CG1-CG2 4.2Å; V29-I52 PolarHBondContact N-O 3.23Å; V29-I52 VanDerWaalsContact N-O 3.1Å; I52-A54 PolarHBondContact O-N 3.23Å; I52-A54 VanDerWaalsContact O-N 3.16Å; I52-L102 CarbonylContact C-O 3.45Å; I52-L102 WeakPolarHBondContact CA-O 3.44Å; I52-E104 HydrophobicContact CG2-CB 4.03Å; I52-E104 HydrophobicContact CG2-CG 3.96Å; I52-F117 HydrophobicContact CG2-CE2 4.39Å; I52-F117 HydrophobicContact CG2-CZ 4.21Å; I52-I121 HydrophobicContact CD1-CD1 4.25Å; I52-I121 HydrophobicContact CG2-CD1 4.03Å; I52-Y125 HydrophobicContact CD1-CD2 3.93Å; I52-Y125 HydrophobicContact CD1-CE2 3.56Å; I52-Y125 HydrophobicContact CG1-CE2 4.27Å; I52-I128 HydrophobicContact CD1-CD1 3.88Å
53M98.8Very high98.2Very high0 Ų036.5 Ų36.50%017%0.172CC..EExtended strand (participates in β ladder)trans-7891.9177-61.3-17872.500109.2C32 I51 C55 A64 R65 L68 L101 L102 I103 E104C32-M53 VanDerWaalsContact SG-CA 3.54Å; C32-M53 VanDerWaalsContact SG-CB 3.53Å; I51-M53 HydrophobicContact CG2-CG 4Å; I51-M53 PolarHBondContact O-N 3.27Å; M53-C55 PolarHBondContact O-N 2.61Å; M53-A64 HydrophobicContact CE-CB 4.27Å; M53-R65 HydrophobicContact CE-CB 4.46Å; M53-R65 HydrophobicContact SD-CB 4.13Å; M53-L68 HydrophobicContact CE-CD1 3.76Å; M53-L68 HydrophobicContact SD-CD1 4.17Å; M53-L101 HydrophobicContact SD-CB 4.12Å; M53-L101 HydrophobicContact SD-CD2 4.36Å; M53-L102 PolarHBondContact N-O 3.38Å; M53-I103 HydrophobicContact CB-CG1 4.44Å; M53-I103 HydrophobicContact SD-CG1 4.45Å; M53-E104 PolarHBondContact O-N 3.47Å
54A98.9Very high98.1Very high2 Ų236.8 Ų36.82%0.01718%0.175CC..EExtended strand (participates in β ladder)trans-88.7102.3-175.800000110.7I28 V29 T30 G31 I52 E104 L106 F117I28-A54 HydrophobicContact CG2-CB 3.94Å; V29-A54 PolarHBondContact O-N 2.91Å; V29-A54 VanDerWaalsContact O-N 3.16Å; T30-A54 CarbonylContact C-O 3.53Å; T30-A54 WeakPolarHBondContact CA-O 3.34Å; T30-A54 HydrophobicContact CG2-CB 4.32Å; G31-A54 PolarHBondContact N-O 2.88Å; I52-A54 PolarHBondContact O-N 3.23Å; I52-A54 VanDerWaalsContact O-N 3.16Å; A54-E104 WeakPolarHBondContact CA-O 3.39Å; A54-L106 HydrophobicContact CB-CB 4.14Å; A54-L106 HydrophobicContact CB-CD2 3.78Å; A54-F117 HydrophobicContact CB-CE2 3.65Å; A54-F117 HydrophobicContact CB-CZ 3.7Å
55C97.8Very high98.1Very high1 Ų140.2 Ų40.21%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-133.5145.9-168.5-69.70000112.1M53 A61 E104 Q105 L106M53-C55 PolarHBondContact O-N 2.61Å; C55-A61 HydrophobicContact CB-CB 3.64Å; C55-E104 PolarHBondContact N-O 3.34Å; C55-Q105 CarbonylContact O-C 3.36Å; C55-Q105 WeakPolarHBondContact O-CA 3.41Å; C55-L106 CarbonylContact C-O 3.58Å; C55-L106 PolarHBondContact O-N 3.49Å
56R96.3Very high98.1Very high156 Ų15643 Ų4359%0.58921%0.211SC*.SBendtrans-70.2-50.2178.8-178.7-178.8-175.4-163.72.7112.6L106 D107R56-L106 WeakPolarHBondContact CA-O 3.43Å; R56-L106 PolarHBondContact N-O 2.9Å; R56-L106 VanDerWaalsContact N-O 3.16Å; R56-D107 WeakPolarHBondContact CD-OD1 3.34Å; R56-D107 HydrophobicContact CG-CB 4.02Å; R56-D107 IonicContact CZ-OD2 3.36Å; R56-D107 VanDerWaalsContact NE-CG 3.28Å; R56-D107 IonicContact NE-OD1 3.38Å; R56-D107 PolarHBondContact NE-OD1 3.08Å; R56-D107 IonicContact NE-OD2 2.72Å; R56-D107 PolarHBondContact NE-OD2 3.27Å; R56-D107 IonicContact NH2-OD2 3.32Å; R56-D107 PolarHBondContact NH2-OD2 2.61Å
57N94.9Very high98.1Very high73 Ų7347 Ų4739%0.3923%0.229SC..  trans-99.2115.1-177.9-180-54.3000109.3E59 R60 A61N57-E59 WeakPolarHBondContact OD1-CA 3.12Å; N57-E59 WeakPolarHBondContact OD1-CB 3.45Å; N57-E59 PolarHBondContact OD1-N 2.89Å; N57-R60 HydrophobicContact CB-CB 4.32Å; N57-R60 HydrophobicContact CB-CG 4.38Å; N57-R60 PolarHBondContact OD1-N 2.74Å; N57-A61 WeakPolarHBondContact O-CB 3.32Å; N57-A61 PolarHBondContact O-N 2.97Å
58M97.8Very high98.1Very high63 Ų6347 Ų4731%0.3123%0.229SC..Hα-helixtrans-71.4-31.8-175.8-67-61.1-70.400113.2A61 N62 I103 Q105M58-A61 PolarHBondContact O-N 3.04Å; M58-N62 WeakPolarHBondContact O-CB 3.27Å; M58-N62 PolarHBondContact O-N 3.11Å; M58-N62 PolarHBondContact O-ND2 2.88Å; M58-I103 HydrophobicContact CE-CB 4.21Å; M58-I103 HydrophobicContact CE-CG2 3.37Å; M58-I103 HydrophobicContact SD-CG2 3.75Å; M58-Q105 HydrophobicContact CG-CB 4.1Å; M58-Q105 HydrophobicContact CG-CG 4.05Å; M58-Q105 HydrophobicContact SD-CB 3.59Å; M58-Q105 VanDerWaalsContact SD-CB 3.59Å; M58-Q105 HydrophobicContact SD-CG 4.07Å
59E98.2Very high98.1Very high136 Ų13648.4 Ų48.464%0.63623%0.234SC*.Hα-helixtrans-63.3-53.6175.6-176.9178.9-159.400110.2N57 A61 N62 E63N57-E59 WeakPolarHBondContact OD1-CA 3.12Å; N57-E59 WeakPolarHBondContact OD1-CB 3.45Å; N57-E59 PolarHBondContact OD1-N 2.89Å; E59-A61 PolarHBondContact O-N 3.05Å; E59-N62 WeakPolarHBondContact O-CB 3.48Å; E59-N62 PolarHBondContact O-N 2.89Å; E59-E63 WeakPolarHBondContact O-CG 3.49Å; E59-E63 PolarHBondContact O-N 3.13Å
60R96.6Very high98.1Very high84 Ų8454.7 Ų54.732%0.31726%0.263SS..Hα-helixtrans-60-32.5175.1-66.1-173.173-1783.3112.5N33 N57 A64 E246N33-R60 HydrophobicContact CB-CB 4.47Å; N57-R60 HydrophobicContact CB-CB 4.32Å; N57-R60 HydrophobicContact CB-CG 4.38Å; N57-R60 PolarHBondContact OD1-N 2.74Å; R60-A64 VanDerWaalsContact O-CB 3.31Å; R60-A64 WeakPolarHBondContact O-CB 3.48Å; R60-A64 PolarHBondContact O-N 3.34Å; R60-E246 IonicContact CZ-OE2 3.1Å; R60-E246 IonicContact NH1-OE2 3.12Å; R60-E246 IonicContact NH2-OE1 3.9Å; R60-E246 IonicContact NH2-OE2 3.04Å; R60-E246 PolarHBondContact NH2-OE2 3.1Å
61A97.8Very high98Very high0 Ų055 Ų550%026%0.262CS..Hα-helixtrans-69.3-40175.700000112.1C55 N57 M58 E59 A64 R65 I103C55-A61 HydrophobicContact CB-CB 3.64Å; N57-A61 WeakPolarHBondContact O-CB 3.32Å; N57-A61 PolarHBondContact O-N 2.97Å; M58-A61 PolarHBondContact O-N 3.04Å; E59-A61 PolarHBondContact O-N 3.05Å; A61-A64 PolarHBondContact O-N 3.28Å; A61-R65 WeakPolarHBondContact O-CB 3.5Å; A61-R65 PolarHBondContact O-N 3.24Å; A61-I103 HydrophobicContact CB-CD1 4.32Å; A61-I103 HydrophobicContact CB-CG2 3.62Å
62N98.6Very high98Very high82 Ų8255 Ų5544%0.43926%0.262SS..Hα-helixtrans-66.1-43.1175-80-64.3000111.7M58 E59 A64 R65 A66 I103M58-N62 WeakPolarHBondContact O-CB 3.27Å; M58-N62 PolarHBondContact O-N 3.11Å; M58-N62 PolarHBondContact O-ND2 2.88Å; E59-N62 WeakPolarHBondContact O-CB 3.48Å; E59-N62 PolarHBondContact O-N 2.89Å; N62-A64 VanDerWaalsContact C-N 3.34Å; N62-A64 PolarHBondContact O-N 3.18Å; N62-R65 PolarHBondContact O-N 2.84Å; N62-A66 PolarHBondContact O-N 3.36Å; N62-I103 HydrophobicContact CB-CD1 4.3Å; N62-I103 VanDerWaalsContact OD1-CD1 3.23Å; N62-I103 WeakPolarHBondContact OD1-CD1 3.35Å
63E98.5Very high98Very high115 Ų11555.1 Ų55.154%0.53726%0.264SS..Hα-helixtrans-58.1-46.8173-69.5173.5168.400111.3E59 R65 A66 H67E59-E63 WeakPolarHBondContact O-CG 3.49Å; E59-E63 PolarHBondContact O-N 3.13Å; E63-R65 PolarHBondContact O-N 3.49Å; E63-A66 PolarHBondContact O-N 2.98Å; E63-H67 WeakPolarHBondContact O-CB 3.43Å; E63-H67 PolarHBondContact O-N 2.94Å
64A98.1Very high97.8Very high8 Ų860.8 Ų60.87%0.06629%0.291CS..Hα-helixtrans-63.5-40.3177.600000112.4N33 F38 M53 R60 A61 N62 H67 L68N33-A64 VanDerWaalsContact CA-CB 3.49Å; N33-A64 HydrophobicContact CB-CB 3.94Å; N33-A64 WeakPolarHBondContact O-CB 3.2Å; F38-A64 HydrophobicContact CD2-CB 4.24Å; F38-A64 HydrophobicContact CE2-CB 4.4Å; F38-A64 WeakPolarHBondContact CE2-O 3.41Å; M53-A64 HydrophobicContact CE-CB 4.27Å; R60-A64 VanDerWaalsContact O-CB 3.31Å; R60-A64 WeakPolarHBondContact O-CB 3.48Å; R60-A64 PolarHBondContact O-N 3.34Å; A61-A64 PolarHBondContact O-N 3.28Å; N62-A64 VanDerWaalsContact C-N 3.34Å; N62-A64 PolarHBondContact O-N 3.18Å; A64-H67 PolarHBondContact O-N 2.73Å; A64-L68 WeakPolarHBondContact O-CG 3.26Å; A64-L68 PolarHBondContact O-N 2.71Å
65R98.7Very high97.6Very high73 Ų7368 Ų6828%0.27533%0.329SS..Hα-helixtrans-61.6-45.7174.1176.3177.3173.7-91.7-4111.3M53 A61 N62 E63 H67 L68 L69 S98 L101 I103M53-R65 HydrophobicContact CE-CB 4.46Å; M53-R65 HydrophobicContact SD-CB 4.13Å; A61-R65 WeakPolarHBondContact O-CB 3.5Å; A61-R65 PolarHBondContact O-N 3.24Å; N62-R65 PolarHBondContact O-N 2.84Å; E63-R65 PolarHBondContact O-N 3.49Å; R65-H67 VanDerWaalsContact C-N 3.33Å; R65-H67 PolarHBondContact O-N 2.85Å; R65-L68 PolarHBondContact O-N 2.85Å; R65-L69 HydrophobicContact CG-CD1 4.32Å; R65-L69 WeakPolarHBondContact O-CG 3.17Å; R65-L69 PolarHBondContact O-N 2.85Å; R65-L69 VanDerWaalsContact O-N 3.13Å; R65-S98 PolarHBondContact NH2-O 3.48Å; R65-L101 HydrophobicContact CG-CB 4.01Å; R65-L101 HydrophobicContact CG-CD1 4.06Å; R65-L101 PolarHBondContact NE-O 2.88Å; R65-L101 VanDerWaalsContact NE-O 3.11Å; R65-I103 HydrophobicContact CB-CD1 3.9Å; R65-I103 HydrophobicContact CB-CG1 4.44Å; R65-I103 HydrophobicContact CG-CD1 4.42Å
66A98.6Very high97.6Very high59 Ų5970.3 Ų70.349%0.48834%0.341SS..Hα-helixtrans-60.2-44.3176.400000111.2N62 E63 L68 L69 E70N62-A66 PolarHBondContact O-N 3.36Å; E63-A66 PolarHBondContact O-N 2.98Å; A66-L68 PolarHBondContact O-N 2.99Å; A66-L69 PolarHBondContact O-N 3.11Å; A66-E70 PolarHBondContact O-N 3.11Å
67H98.4Very high97.5Very high85 Ų8567.8 Ų67.839%0.39435%0.353SS..Hα-helixtrans-66.2-35.9178.2-167.252.3000113.1F38 E63 A64 R65 L69 E70 M71F38-H67 HydrophobicContact CE2-CB 4.33Å; F38-H67 AromaticContact CE2-CD2 3.94Å; F38-H67 HydrophobicContact CZ-CB 4.42Å; F38-H67 AromaticContact CZ-CD2 3.48Å; F38-H67 VanDerWaalsContact CZ-CD2 3.48Å; F38-H67 WeakPolarHBondContact CZ-CD2 3.47Å; E63-H67 WeakPolarHBondContact O-CB 3.43Å; E63-H67 PolarHBondContact O-N 2.94Å; A64-H67 PolarHBondContact O-N 2.73Å; R65-H67 VanDerWaalsContact C-N 3.33Å; R65-H67 PolarHBondContact O-N 2.85Å; H67-L69 VanDerWaalsContact C-N 3.34Å; H67-L69 PolarHBondContact O-N 2.91Å; H67-E70 IonicContact CE1-OE2 3.77Å; H67-E70 IonicContact ND1-OE2 3.88Å; H67-E70 PolarHBondContact ND1-OE2 2.89Å; H67-E70 VanDerWaalsContact ND1-OE2 3.12Å; H67-E70 PolarHBondContact O-N 2.91Å; H67-M71 PolarHBondContact NE2-SD 3.38Å; H67-M71 VanDerWaalsContact NE2-SD 3.39Å; H67-M71 WeakPolarHBondContact O-CB 3.29Å; H67-M71 WeakPolarHBondContact O-CG 3.44Å; H67-M71 PolarHBondContact O-N 3.19Å
68L98.5Very high97.5Very high0 Ų070.7 Ų70.70%036%0.362CS..Hα-helixtrans-60.1-43.7171.5-77.8173.3000111.9F38 M53 A64 R65 A66 M71 Y72 L101F38-L68 HydrophobicContact CD1-CD2 4.24Å; F38-L68 HydrophobicContact CD2-CD2 4.08Å; F38-L68 HydrophobicContact CD2-CG 4.06Å; F38-L68 HydrophobicContact CE1-CD2 3.78Å; F38-L68 HydrophobicContact CE2-CD1 4.39Å; F38-L68 HydrophobicContact CE2-CD2 3.62Å; F38-L68 HydrophobicContact CE2-CG 3.49Å; F38-L68 VanDerWaalsContact CE2-CG 3.49Å; F38-L68 HydrophobicContact CG-CD2 4.37Å; F38-L68 HydrophobicContact CZ-CD2 3.44Å; F38-L68 VanDerWaalsContact CZ-CD2 3.44Å; F38-L68 HydrophobicContact CZ-CG 3.75Å; M53-L68 HydrophobicContact CE-CD1 3.76Å; M53-L68 HydrophobicContact SD-CD1 4.17Å; A64-L68 WeakPolarHBondContact O-CG 3.26Å; A64-L68 PolarHBondContact O-N 2.71Å; R65-L68 PolarHBondContact O-N 2.85Å; A66-L68 PolarHBondContact O-N 2.99Å; L68-M71 PolarHBondContact O-N 2.76Å; L68-Y72 HydrophobicContact CD2-CD2 3.98Å; L68-Y72 HydrophobicContact CD2-CE2 4.11Å; L68-Y72 WeakPolarHBondContact O-CA 3.48Å; L68-Y72 WeakPolarHBondContact O-CB 3.14Å; L68-Y72 PolarHBondContact O-N 2.81Å; L68-L101 HydrophobicContact CB-CD1 3.77Å; L68-L101 HydrophobicContact CD1-CD1 3.88Å; L68-L101 HydrophobicContact CD1-CD2 4.27Å; L68-L101 HydrophobicContact CG-CD1 4.48Å
69L98.6Very high97.4Very high39 Ų3968 Ų6820%0.20435%0.35CS..Hα-helixtrans-71.7-33.6179.4-65.8170.7000112.1R65 A66 H67 G73 I96 L101R65-L69 HydrophobicContact CG-CD1 4.32Å; R65-L69 WeakPolarHBondContact O-CG 3.17Å; R65-L69 PolarHBondContact O-N 2.85Å; R65-L69 VanDerWaalsContact O-N 3.13Å; A66-L69 PolarHBondContact O-N 3.11Å; H67-L69 VanDerWaalsContact C-N 3.34Å; H67-L69 PolarHBondContact O-N 2.91Å; L69-G73 WeakPolarHBondContact O-CA 3.36Å; L69-G73 PolarHBondContact O-N 3.41Å; L69-I96 HydrophobicContact CD2-CB 4.45Å; L69-I96 HydrophobicContact CD2-CG2 4.07Å; L69-L101 HydrophobicContact CD2-CD1 4.08Å; L69-L101 HydrophobicContact CG-CD1 4.1Å
70E98.1Very high97.2Very high132 Ų13265.5 Ų65.562%0.61734%0.338SS*.Hα-helixtrans-64.5-45.9171.9-177.3-172.2-164.400111.7A66 H67 N76A66-E70 PolarHBondContact O-N 3.11Å; H67-E70 IonicContact CE1-OE2 3.77Å; H67-E70 IonicContact ND1-OE2 3.88Å; H67-E70 PolarHBondContact ND1-OE2 2.89Å; H67-E70 VanDerWaalsContact ND1-OE2 3.12Å; H67-E70 PolarHBondContact O-N 2.91Å; E70-N76 VanDerWaalsContact O-CB 3.32Å; E70-N76 WeakPolarHBondContact O-CB 3.48Å; E70-N76 PolarHBondContact O-ND2 3.2Å
71M97.8Very high97.1Very high46 Ų4667.6 Ų67.623%0.22735%0.352CS..Hα-helixtrans-76.3-39.1-177.3-71.4-169.876.600113.3F38 H67 L68 N76 T82F38-M71 HydrophobicContact CE1-SD 4.21Å; F38-M71 HydrophobicContact CZ-SD 4.26Å; H67-M71 PolarHBondContact NE2-SD 3.38Å; H67-M71 VanDerWaalsContact NE2-SD 3.39Å; H67-M71 WeakPolarHBondContact O-CB 3.29Å; H67-M71 WeakPolarHBondContact O-CG 3.44Å; H67-M71 PolarHBondContact O-N 3.19Å; L68-M71 PolarHBondContact O-N 2.76Å; M71-N76 PolarHBondContact O-ND2 3.25Å; M71-T82 HydrophobicContact CE-CG2 4.34Å
72Y98.4Very high96.9Very high0 Ų069.7 Ų69.70%036%0.364CS..Hα-helixtrans-129.30.7-166.3-51.4-67.1000114.1F38 R46 L68 S79 T82 D83 H95 I96F38-Y72 HydrophobicContact CE1-CE2 4.35Å; R46-Y72 HydrophobicContact CG-CG 4.49Å; L68-Y72 HydrophobicContact CD2-CD2 3.98Å; L68-Y72 HydrophobicContact CD2-CE2 4.11Å; L68-Y72 WeakPolarHBondContact O-CA 3.48Å; L68-Y72 WeakPolarHBondContact O-CB 3.14Å; L68-Y72 PolarHBondContact O-N 2.81Å; Y72-S79 WeakPolarHBondContact O-CB 3.2Å; Y72-T82 HydrophobicContact CE1-CG2 3.94Å; Y72-D83 HydrophobicContact CE1-CB 4.11Å; Y72-D83 PolarHBondContact OH-OD2 3.16Å; Y72-H95 CarbonylContact O-C 3.58Å; Y72-H95 WeakPolarHBondContact O-CA 3.43Å; Y72-H95 WeakPolarHBondContact O-CB 3.27Å; Y72-I96 HydrophobicContact CD2-CD1 4.26Å; Y72-I96 HydrophobicContact CG-CD1 4.31Å; Y72-I96 PolarHBondContact O-N 3.46Å
73G98Very high96.8Very high3 Ų367.9 Ų67.93%0.03136%0.355CS..BIsolated β-bridgetrans-78.2171.8177.600000113.4L69 N75 N76 S79 I96L69-G73 WeakPolarHBondContact O-CA 3.36Å; L69-G73 PolarHBondContact O-N 3.41Å; G73-N75 PolarHBondContact O-N 3.1Å; G73-N76 PolarHBondContact O-N 3.11Å; G73-N76 VanDerWaalsContact O-N 3.1Å; G73-S79 WeakPolarHBondContact O-CB 3.34Å; G73-I96 WeakPolarHBondContact CA-O 3.45Å
74E95.5Very high96.7Very high120 Ų12063.8 Ų63.856%0.56134%0.338SS*.THydrogen-bonded Turntrans-56.2-32.1-176.756.6172.8173.700113.7N76 H95E74-N76 PolarHBondContact O-N 2.95Å; E74-H95 HydrophobicContact CB-CB 4.46Å
75N95.5Very high96.5Very high154 Ų15464 Ų6482%0.82434%0.34SS*.THydrogen-bonded Turntrans-74.3-11-177.6-67.3-48.3000113.4G73G73-N75 PolarHBondContact O-N 3.1Å
76N96.9Very high96.3Very high49 Ų4962 Ų6226%0.26234%0.336SS..  trans-100.9107.5176.3-173.4-22.4000110.4E70 M71 G73 E74 K78 S79E70-N76 VanDerWaalsContact O-CB 3.32Å; E70-N76 WeakPolarHBondContact O-CB 3.48Å; E70-N76 PolarHBondContact O-ND2 3.2Å; M71-N76 PolarHBondContact O-ND2 3.25Å; G73-N76 PolarHBondContact O-N 3.11Å; G73-N76 VanDerWaalsContact O-N 3.1Å; E74-N76 PolarHBondContact O-N 2.95Å; N76-K78 PolarHBondContact O-N 3.39Å; N76-K78 PolarHBondContact OD1-N 3.16Å; N76-S79 WeakPolarHBondContact O-CB 3.17Å; N76-S79 PolarHBondContact O-N 3.04Å; N76-S79 PolarHBondContact O-OG 2.92Å
77A94.7Very high96.1Very high102 Ų10263.8 Ų63.884%0.84335%0.345SS*.THydrogen-bonded Turntrans-59-17.2179.300000114.4
78K95.2Very high95.8Very high134 Ų13466.5 Ų66.558%0.58335%0.352SS*.THydrogen-bonded Turntrans-103.46.8177.5-61.8-177.1179.3177.90113.2N76 E80 E81 T82N76-K78 PolarHBondContact O-N 3.39Å; N76-K78 PolarHBondContact OD1-N 3.16Å; K78-E80 VanDerWaalsContact C-N 3.26Å; K78-E80 PolarHBondContact O-N 3.44Å; K78-E81 PolarHBondContact O-N 3.24Å; K78-T82 PolarHBondContact O-N 2.68Å; K78-T82 PolarHBondContact O-OG1 2.82Å
79S95.4Very high95.6Very high7 Ų766.5 Ų66.55%0.04935%0.352CS..THydrogen-bonded Turntrans-54.9-39.6-177.854.50000112.9R46 Y72 G73 N76 E81R46-S79 PolarHBondContact NH2-O 2.89Å; Y72-S79 WeakPolarHBondContact O-CB 3.2Å; G73-S79 WeakPolarHBondContact O-CB 3.34Å; N76-S79 WeakPolarHBondContact O-CB 3.17Å; N76-S79 PolarHBondContact O-N 3.04Å; N76-S79 PolarHBondContact O-OG 2.92Å; S79-E81 VanDerWaalsContact C-N 3.35Å
80E93.4Very high95.5Very high83 Ų8369.4 Ų69.439%0.38836%0.363SS..THydrogen-bonded Turntrans-82.9-10179.7-63.4-174.7-171.100113.7K78 V84 H95K78-E80 VanDerWaalsContact C-N 3.26Å; K78-E80 PolarHBondContact O-N 3.44Å; E80-V84 WeakPolarHBondContact O-CG2 3.39Å; E80-H95 PolarHBondContact OE1-N 2.82Å; E80-H95 IonicContact OE1-ND1 3.5Å
81E93.5Very high95.3Very high129 Ų12967.2 Ų67.260%0.60336%0.362SS*.THydrogen-bonded Turntrans-103.5-19-180-58.8-170.4162.200113.3K78 S79 V84K78-E81 PolarHBondContact O-N 3.24Å; S79-E81 VanDerWaalsContact C-N 3.35Å; E81-V84 WeakPolarHBondContact O-CG2 3.35Å
82T94.8Very high95.3Very high43 Ų4365 Ų6526%0.26435%0.351SS..THydrogen-bonded Turntrans-81.5142-179.9-590000110.7R46 M71 Y72 K78 V84R46-T82 VanDerWaalsContact CZ-O 3.32Å; R46-T82 PolarHBondContact NH1-O 3.21Å; R46-T82 PolarHBondContact NH2-O 3.47Å; M71-T82 HydrophobicContact CE-CG2 4.34Å; Y72-T82 HydrophobicContact CE1-CG2 3.94Å; K78-T82 PolarHBondContact O-N 2.68Å; K78-T82 PolarHBondContact O-OG1 2.82Å; T82-V84 VanDerWaalsContact C-N 3.29Å; T82-V84 WeakPolarHBondContact O-CG2 3.3Å; T82-V84 PolarHBondContact O-N 3.29Å
83D95.5Very high95.2Very high44 Ų4465.1 Ų65.124%0.23535%0.352CS..THydrogen-bonded Turntrans5442.6175.6-83.810.1000113.4H39 Y72 W271H39-D83 IonicContact CE1-OD2 3.86Å; H39-D83 PolarHBondContact CE1-OD2 3.03Å; H39-D83 IonicContact ND1-OD2 3.7Å; H39-D83 PolarHBondContact ND1-OD2 3.26Å; Y72-D83 HydrophobicContact CE1-CB 4.11Å; Y72-D83 PolarHBondContact OH-OD2 3.16Å; D83-W271 HydrophobicContact CB-CD2 4.43Å; D83-W271 HydrophobicContact CB-CG 4.16Å; D83-W271 VanDerWaalsContact CG-CD1 3.45Å; D83-W271 WeakPolarHBondContact O-CZ2 3.21Å; D83-W271 PolarHBondContact O-NE1 3.13Å; D83-W271 VanDerWaalsContact O-NE1 3.11Å
84V96.3Very high95.2Very high29 Ų2970.3 Ų70.318%0.17637%0.374CS..  trans-101.2120.6180179.60000110.3E80 E81 T82 C86 V89 K90 L93E80-V84 WeakPolarHBondContact O-CG2 3.39Å; E81-V84 WeakPolarHBondContact O-CG2 3.35Å; T82-V84 VanDerWaalsContact C-N 3.29Å; T82-V84 WeakPolarHBondContact O-CG2 3.3Å; T82-V84 PolarHBondContact O-N 3.29Å; V84-C86 VanDerWaalsContact CG1-O 3.28Å; V84-C86 WeakPolarHBondContact CG1-O 3.01Å; V84-C86 PolarHBondContact O-N 3.01Å; V84-V89 HydrophobicContact CG1-CG2 3.86Å; V84-K90 HydrophobicContact CG1-CG 3.72Å; V84-L93 HydrophobicContact CG1-CD1 4.45Å; V84-L93 HydrophobicContact CG2-CD1 4.01Å
85A94.4Very high95.3Very high14 Ų1467.5 Ų67.512%0.11636%0.36CS..SBendtrans-62.6-43.7-178.500000113.3I9 L15 C16 I17 V89 W271I9-A85 WeakPolarHBondContact CD1-O 3.41Å; L15-A85 HydrophobicContact CB-CB 3.97Å; L15-A85 HydrophobicContact CD1-CB 4.26Å; C16-A85 WeakPolarHBondContact O-CB 2.99Å; I17-A85 HydrophobicContact CG2-CB 4.07Å; A85-V89 HydrophobicContact CB-CG2 4.26Å; A85-W271 HydrophobicContact CB-CH2 4.41Å; A85-W271 HydrophobicContact CB-CZ2 4.28Å
86C94.4Very high95.5Very high30 Ų3060.2 Ų60.220%0.20332%0.321CS..  trans-165.2177.2170.4720000111.8I9 I17 V84 R88 V89I9-C86 HydrophobicContact CD1-CB 3.79Å; I17-C86 HydrophobicContact CG2-CB 4.46Å; I17-C86 WeakPolarHBondContact CG2-SG 3.37Å; V84-C86 VanDerWaalsContact CG1-O 3.28Å; V84-C86 WeakPolarHBondContact CG1-O 3.01Å; V84-C86 PolarHBondContact O-N 3.01Å; C86-R88 PolarHBondContact O-N 3.11Å; C86-R88 PolarHBondContact SG-N 3.49Å; C86-V89 VanDerWaalsContact O-CG2 3.3Å; C86-V89 WeakPolarHBondContact O-CG2 3.31Å; C86-V89 PolarHBondContact O-N 2.85Å
87S93.8Very high95.5Very high97 Ų9760.9 Ų60.968%0.67832%0.323SS*.THydrogen-bonded Turntrans-55-27.2178.355.50000114.4V89 K90S87-V89 VanDerWaalsContact C-N 3.35Å; S87-V89 PolarHBondContact O-N 3.37Å; S87-K90 PolarHBondContact O-N 3.26Å
88R92.7Very high95.7Very high141 Ų14159.1 Ų59.153%0.53230%0.304SS..THydrogen-bonded Turntrans-69.3-27.7-178.1-62.2-178.3-179.8-175.5-1.8114.3N19 C86N19-R88 WeakPolarHBondContact CB-O 3.16Å; N19-R88 PolarHBondContact ND2-O 3.2Å; C86-R88 PolarHBondContact O-N 3.11Å; C86-R88 PolarHBondContact SG-N 3.49Å
89V95.5Very high95.8Very high1 Ų158.1 Ų58.11%0.00631%0.305CS..THydrogen-bonded Turntrans-90.8-12.6-179.4-62.10000112.8I17 V84 A85 C86 S87 S91 S92 L93I17-V89 VanDerWaalsContact C-CG1 3.49Å; I17-V89 VanDerWaalsContact CA-CG1 3.47Å; I17-V89 HydrophobicContact CB-CG1 4.14Å; V84-V89 HydrophobicContact CG1-CG2 3.86Å; A85-V89 HydrophobicContact CB-CG2 4.26Å; C86-V89 VanDerWaalsContact O-CG2 3.3Å; C86-V89 WeakPolarHBondContact O-CG2 3.31Å; C86-V89 PolarHBondContact O-N 2.85Å; S87-V89 VanDerWaalsContact C-N 3.35Å; S87-V89 PolarHBondContact O-N 3.37Å; V89-S91 VanDerWaalsContact C-N 3.28Å; V89-S91 PolarHBondContact O-N 3.03Å; V89-S92 WeakPolarHBondContact O-CA 3.41Å; V89-S92 PolarHBondContact O-N 3.42Å; V89-S92 PolarHBondContact O-OG 2.89Å; V89-L93 HydrophobicContact CG2-CD1 4.06Å; V89-L93 PolarHBondContact O-N 3.2Å
90K95.3Very high96Very high100 Ų10058.9 Ų58.944%0.43531%0.308SS..G310 helixtrans-51.7-44.8-176.5-76.1-167.9170.2-1610112.5V84 S87 S92 L93V84-K90 HydrophobicContact CG1-CG 3.72Å; S87-K90 PolarHBondContact O-N 3.26Å; K90-S92 PolarHBondContact O-N 3.47Å; K90-S92 VanDerWaalsContact O-N 3.1Å; K90-L93 PolarHBondContact O-N 3.47Å
91S94.9Very high96.2Very high85 Ų8555.1 Ų55.159%0.59429%0.291SS*.G310 helixtrans-63.3-18.4178.956.80000114.7N19 V89N19-S91 VanDerWaalsContact CG-OG 3.3Å; N19-S91 PolarHBondContact ND2-OG 2.8Å; N19-S91 PolarHBondContact OD1-OG 2.75Å; V89-S91 VanDerWaalsContact C-N 3.28Å; V89-S91 PolarHBondContact O-N 3.03Å
92S96.5Very high96.5Very high0 Ų051.6 Ų51.60%028%0.276CS..G310 helixtrans-94.5-6175.460.20000114.1N19 R21 R47 V89 K90N19-S92 WeakPolarHBondContact OD1-CB 3.43Å; N19-S92 PolarHBondContact OD1-N 2.86Å; N19-S92 PolarHBondContact OD1-OG 3.2Å; N19-S92 VanDerWaalsContact OD1-OG 3.13Å; R21-S92 WeakPolarHBondContact CD-O 3.39Å; R21-S92 PolarHBondContact NH1-O 3.13Å; R47-S92 PolarHBondContact NH1-OG 3.32Å; V89-S92 WeakPolarHBondContact O-CA 3.41Å; V89-S92 PolarHBondContact O-N 3.42Å; V89-S92 PolarHBondContact O-OG 2.89Å; K90-S92 PolarHBondContact O-N 3.47Å; K90-S92 VanDerWaalsContact O-N 3.1Å
93L97.9Very high96.6Very high2 Ų251.1 Ų51.11%0.0127%0.271CS..  trans-109.1119.7-178-59.2176.5000108.8E43 R46 R47 V84 V89 K90E43-L93 HydrophobicContact CG-CD2 3.88Å; R46-L93 HydrophobicContact CB-CD2 3.99Å; R47-L93 HydrophobicContact CG-CD2 3.95Å; V84-L93 HydrophobicContact CG1-CD1 4.45Å; V84-L93 HydrophobicContact CG2-CD1 4.01Å; V89-L93 HydrophobicContact CG2-CD1 4.06Å; V89-L93 PolarHBondContact O-N 3.2Å; K90-L93 PolarHBondContact O-N 3.47Å
94K97.7Very high96.8Very high112 Ų11250 Ų5049%0.48727%0.265SS..  trans-117.3169.4171.5-64-173.1176.2-176.30109R46R46-K94 WeakPolarHBondContact CA-O 3.42Å; R46-K94 WeakPolarHBondContact CB-O 3.34Å; R46-K94 WeakPolarHBondContact CG-O 3.44Å; R46-K94 PolarHBondContact O-N 2.87Å
95H97.9Very high96.9Very high61 Ų6153.5 Ų53.528%0.28228%0.279SS..PPolyproline II helixtrans-57.9154166.652.6-94.3000111.7Y72 E74 E80 E97Y72-H95 CarbonylContact O-C 3.58Å; Y72-H95 WeakPolarHBondContact O-CA 3.43Å; Y72-H95 WeakPolarHBondContact O-CB 3.27Å; E74-H95 HydrophobicContact CB-CB 4.46Å; E80-H95 PolarHBondContact OE1-N 2.82Å; E80-H95 IonicContact OE1-ND1 3.5Å; H95-E97 IonicContact CD2-OE1 3.68Å; H95-E97 PolarHBondContact CD2-OE1 3.49Å; H95-E97 IonicContact NE2-OE1 3.18Å; H95-E97 PolarHBondContact NE2-OE1 3.49Å
96I98.5Very high97.1Very high1 Ų153 Ų531%0.00528%0.275CS..BIsolated β-bridgetrans-88126.6176.1-58.3177.8000109A45 R46 L69 Y72 G73 Q100 L101A45-I96 HydrophobicContact CB-CD1 3.75Å; A45-I96 HydrophobicContact CB-CG1 3.86Å; A45-I96 HydrophobicContact CB-CG2 4.01Å; R46-I96 HydrophobicContact CB-CG1 4.49Å; R46-I96 HydrophobicContact CG-CD1 3.91Å; R46-I96 HydrophobicContact CG-CG1 3.54Å; L69-I96 HydrophobicContact CD2-CB 4.45Å; L69-I96 HydrophobicContact CD2-CG2 4.07Å; Y72-I96 HydrophobicContact CD2-CD1 4.26Å; Y72-I96 HydrophobicContact CG-CD1 4.31Å; Y72-I96 PolarHBondContact O-N 3.46Å; G73-I96 WeakPolarHBondContact CA-O 3.45Å; I96-Q100 HydrophobicContact CG2-CB 4.42Å; I96-L101 HydrophobicContact CG2-CD1 3.88Å; I96-L101 HydrophobicContact CG2-CD2 4.09Å; I96-L101 HydrophobicContact CG2-CG 3.77Å
97E98Very high97.3Very high64 Ų6452.7 Ų52.730%0.29927%0.271SS..PPolyproline II helixtrans-81.3145.9168.4-62.1-61.4160.500111.3H95 D99 Q100H95-E97 IonicContact CD2-OE1 3.68Å; H95-E97 PolarHBondContact CD2-OE1 3.49Å; H95-E97 IonicContact NE2-OE1 3.18Å; H95-E97 PolarHBondContact NE2-OE1 3.49Å; E97-D99 WeakPolarHBondContact CB-OD1 3.4Å; E97-D99 PolarHBondContact O-N 2.89Å; E97-Q100 HydrophobicContact CB-CG 4.1Å; E97-Q100 WeakPolarHBondContact O-CB 3.3Å; E97-Q100 PolarHBondContact O-N 3.4Å; E97-Q100 VanDerWaalsContact O-N 3.1Å
98S97.8Very high97.5Very high64 Ų6448.6 Ų48.645%0.44824%0.241SC..G310 helixtrans-65.4-23.8-174.1740000114.4R65R65-S98 PolarHBondContact NH2-O 3.48Å
99D97.9Very high97.8Very high113 Ų11342 Ų4260%0.60422%0.217SC*.G310 helixtrans-82.8-15.4177.868-16.2000113E97 L101 L102E97-D99 WeakPolarHBondContact CB-OD1 3.4Å; E97-D99 PolarHBondContact O-N 2.89Å; D99-L101 PolarHBondContact O-N 2.94Å; D99-L102 WeakPolarHBondContact O-CD2 3.34Å
100Q98.5Very high98Very high24 Ų2442.2 Ų42.211%0.11222%0.218CC..G310 helixtrans-70.5-22170.1-66.2-178.5-95.200112.1A45 A49 I51 I96 E97A45-Q100 PolarHBondContact O-NE2 3.24Å; A49-Q100 PolarHBondContact O-NE2 3.48Å; I51-Q100 PolarHBondContact N-O 3.12Å; I96-Q100 HydrophobicContact CG2-CB 4.42Å; E97-Q100 HydrophobicContact CB-CG 4.1Å; E97-Q100 WeakPolarHBondContact O-CB 3.3Å; E97-Q100 PolarHBondContact O-N 3.4Å; E97-Q100 VanDerWaalsContact O-N 3.1Å
101L98.8Very high98.1Very high3 Ų338.3 Ų38.32%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-105.898.6-174.3-58.9-176000111.6A45 I51 M53 R65 L68 L69 I96 D99A45-L101 HydrophobicContact CB-CD2 3.94Å; I51-L101 HydrophobicContact CB-CD2 4.07Å; I51-L101 HydrophobicContact CG1-CD2 4.17Å; M53-L101 HydrophobicContact SD-CB 4.12Å; M53-L101 HydrophobicContact SD-CD2 4.36Å; R65-L101 HydrophobicContact CG-CB 4.01Å; R65-L101 HydrophobicContact CG-CD1 4.06Å; R65-L101 PolarHBondContact NE-O 2.88Å; R65-L101 VanDerWaalsContact NE-O 3.11Å; L68-L101 HydrophobicContact CB-CD1 3.77Å; L68-L101 HydrophobicContact CD1-CD1 3.88Å; L68-L101 HydrophobicContact CD1-CD2 4.27Å; L68-L101 HydrophobicContact CG-CD1 4.48Å; L69-L101 HydrophobicContact CD2-CD1 4.08Å; L69-L101 HydrophobicContact CG-CD1 4.1Å; I96-L101 HydrophobicContact CG2-CD1 3.88Å; I96-L101 HydrophobicContact CG2-CD2 4.09Å; I96-L101 HydrophobicContact CG2-CG 3.77Å; D99-L101 PolarHBondContact O-N 2.94Å
102L98.7Very high98.3Very high56 Ų5640.6 Ų40.629%0.29320%0.202SC..EExtended strand (participates in β ladder)trans-107.2117.5-175.1-54.3178.9000110.1T50 I51 I52 M53 D99 Y125T50-L102 HydrophobicContact CG2-CD1 3.54Å; T50-L102 HydrophobicContact CG2-CG 4.11Å; I51-L102 PolarHBondContact O-N 2.87Å; I52-L102 CarbonylContact C-O 3.45Å; I52-L102 WeakPolarHBondContact CA-O 3.44Å; M53-L102 PolarHBondContact N-O 3.38Å; D99-L102 WeakPolarHBondContact O-CD2 3.34Å; L102-Y125 WeakPolarHBondContact CD1-OH 3.38Å
103I98.7Very high98.4Very high33 Ų3341.4 Ų41.417%0.16921%0.207CC..EExtended strand (participates in β ladder)trans-89.9131.3-178.4-54.6175.1000110M53 M58 A61 N62 R65M53-I103 HydrophobicContact CB-CG1 4.44Å; M53-I103 HydrophobicContact SD-CG1 4.45Å; M58-I103 HydrophobicContact CE-CB 4.21Å; M58-I103 HydrophobicContact CE-CG2 3.37Å; M58-I103 HydrophobicContact SD-CG2 3.75Å; A61-I103 HydrophobicContact CB-CD1 4.32Å; A61-I103 HydrophobicContact CB-CG2 3.62Å; N62-I103 HydrophobicContact CB-CD1 4.3Å; N62-I103 VanDerWaalsContact OD1-CD1 3.23Å; N62-I103 WeakPolarHBondContact OD1-CD1 3.35Å; R65-I103 HydrophobicContact CB-CD1 3.9Å; R65-I103 HydrophobicContact CB-CG1 4.44Å; R65-I103 HydrophobicContact CG-CD1 4.42Å
104E98.8Very high98.5Very high19 Ų1941.3 Ų41.39%0.08921%0.207CC..EExtended strand (participates in β ladder)trans-133.3135.4174.3-78.4-75.3170.500110.2I52 M53 A54 C55 L106 F117 R120 I121 K124I52-E104 HydrophobicContact CG2-CB 4.03Å; I52-E104 HydrophobicContact CG2-CG 3.96Å; M53-E104 PolarHBondContact O-N 3.47Å; A54-E104 WeakPolarHBondContact CA-O 3.39Å; C55-E104 PolarHBondContact N-O 3.34Å; E104-L106 PolarHBondContact O-N 3.08Å; E104-F117 HydrophobicContact CB-CD2 4.01Å; E104-F117 HydrophobicContact CB-CE2 3.53Å; E104-F117 HydrophobicContact CG-CE2 4.42Å; E104-R120 IonicContact OE2-CZ 2.78Å; E104-R120 IonicContact OE2-NE 3.6Å; E104-R120 PolarHBondContact OE2-NE 2.72Å; E104-R120 IonicContact OE2-NH2 3.57Å; E104-R120 PolarHBondContact OE2-NH2 2.9Å; E104-I121 HydrophobicContact CG-CD1 3.96Å; E104-K124 IonicContact OE1-NZ 3.04Å; E104-K124 PolarHBondContact OE1-NZ 3.32Å
105Q98.7Very high98.5Very high103 Ų10340.3 Ų40.348%0.48120%0.2SC..EExtended strand (participates in β ladder)trans-75.4126.8-179.5-167.1177.2800111.3C55 M58 F117 R120C55-Q105 CarbonylContact O-C 3.36Å; C55-Q105 WeakPolarHBondContact O-CA 3.41Å; M58-Q105 HydrophobicContact CG-CB 4.1Å; M58-Q105 HydrophobicContact CG-CG 4.05Å; M58-Q105 HydrophobicContact SD-CB 3.59Å; M58-Q105 VanDerWaalsContact SD-CB 3.59Å; M58-Q105 HydrophobicContact SD-CG 4.07Å; Q105-F117 WeakPolarHBondContact O-CD2 3.35Å; Q105-R120 PolarHBondContact O-NH2 2.99Å
106L98.8Very high98.6Very high5 Ų541.5 Ų41.53%0.02621%0.206CC..  trans-144.1113.3176.4174.763.4000110.4T30 A54 C55 R56 E104 L108 I114 F117 L163T30-L106 HydrophobicContact CG2-CD2 3.87Å; A54-L106 HydrophobicContact CB-CB 4.14Å; A54-L106 HydrophobicContact CB-CD2 3.78Å; C55-L106 CarbonylContact C-O 3.58Å; C55-L106 PolarHBondContact O-N 3.49Å; R56-L106 WeakPolarHBondContact CA-O 3.43Å; R56-L106 PolarHBondContact N-O 2.9Å; R56-L106 VanDerWaalsContact N-O 3.16Å; E104-L106 PolarHBondContact O-N 3.08Å; L106-L108 HydrophobicContact CD1-CD2 4.26Å; L106-L108 HydrophobicContact CD2-CD2 4Å; L106-L108 HydrophobicContact CD2-CG 4.39Å; L106-L108 HydrophobicContact CG-CD2 4.16Å; L106-L108 HydrophobicContact CG-CG 4.34Å; L106-I114 HydrophobicContact CD1-CB 4.42Å; L106-I114 HydrophobicContact CD1-CG1 3.93Å; L106-F117 HydrophobicContact CB-CD2 3.77Å; L106-F117 HydrophobicContact CB-CE2 4.14Å; L106-F117 HydrophobicContact CB-CG 4.18Å; L106-F117 HydrophobicContact CD1-CB 3.79Å; L106-F117 HydrophobicContact CD1-CD1 4.2Å; L106-F117 HydrophobicContact CD1-CD2 4.34Å; L106-F117 HydrophobicContact CD1-CG 3.86Å; L106-F117 HydrophobicContact CD2-CD1 4.46Å; L106-F117 HydrophobicContact CD2-CE1 4.47Å; L106-F117 HydrophobicContact CD2-CZ 4.5Å; L106-F117 HydrophobicContact CG-CD2 4.44Å; L106-F117 HydrophobicContact CG-CG 4.4Å; L106-L163 HydrophobicContact CD2-CD2 3.86Å
107D98.5Very high98.6Very high22 Ų2241.5 Ų41.512%0.11821%0.205CC..  trans-100110167.6-163.9-12.7000110.4R56 A109 S110 S113R56-D107 WeakPolarHBondContact CD-OD1 3.34Å; R56-D107 HydrophobicContact CG-CB 4.02Å; R56-D107 IonicContact CZ-OD2 3.36Å; R56-D107 VanDerWaalsContact NE-CG 3.28Å; R56-D107 IonicContact NE-OD1 3.38Å; R56-D107 PolarHBondContact NE-OD1 3.08Å; R56-D107 IonicContact NE-OD2 2.72Å; R56-D107 PolarHBondContact NE-OD2 3.27Å; R56-D107 IonicContact NH2-OD2 3.32Å; R56-D107 PolarHBondContact NH2-OD2 2.61Å; D107-A109 PolarHBondContact O-N 2.8Å; D107-A109 WeakPolarHBondContact OD1-CB 3.39Å; D107-A109 PolarHBondContact OD1-N 2.91Å; D107-S110 PolarHBondContact O-N 3.39Å; D107-S113 PolarHBondContact N-OG 3.34Å; D107-S113 WeakPolarHBondContact O-CB 3.46Å
108L98.6Very high98.6Very high11 Ų1138.4 Ų38.46%0.05819%0.191CC..THydrogen-bonded Turntrans-72.5-9.6178-68.3173.2000113.3L106 S110 I114 A135 V155 P160 L163L106-L108 HydrophobicContact CD1-CD2 4.26Å; L106-L108 HydrophobicContact CD2-CD2 4Å; L106-L108 HydrophobicContact CD2-CG 4.39Å; L106-L108 HydrophobicContact CG-CD2 4.16Å; L106-L108 HydrophobicContact CG-CG 4.34Å; L108-S110 VanDerWaalsContact C-N 3.26Å; L108-I114 HydrophobicContact CD2-CD1 4.31Å; L108-I114 HydrophobicContact CD2-CG1 4.17Å; L108-A135 HydrophobicContact CD1-CB 3.52Å; L108-V155 HydrophobicContact CB-CG1 4.27Å; L108-P160 HydrophobicContact CD1-CG 4.08Å; L108-P160 HydrophobicContact CD2-CG 4.4Å; L108-L163 HydrophobicContact CD2-CD2 4.44Å
109A98.3Very high98.7Very high4 Ų439.5 Ų39.53%0.03319%0.192CC..THydrogen-bonded Turntrans-87.911.7172.800000113.2D107 T145 E146 M151 V155D107-A109 PolarHBondContact O-N 2.8Å; D107-A109 WeakPolarHBondContact OD1-CB 3.39Å; D107-A109 PolarHBondContact OD1-N 2.91Å; A109-T145 HydrophobicContact CB-CG2 4.11Å; A109-T145 VanDerWaalsContact O-CB 3.25Å; A109-T145 WeakPolarHBondContact O-CB 3.29Å; A109-E146 PolarHBondContact O-N 3.26Å; A109-M151 HydrophobicContact CB-CE 4.4Å; A109-M151 HydrophobicContact CB-SD 3.73Å; A109-V155 HydrophobicContact CB-CG2 3.81Å
110S98.8Very high98.7Very high4 Ų437.7 Ų37.73%0.02818%0.177CC..  trans-141.6113.31791770000110.6D107 L108 K112 S113 I114 E146D107-S110 PolarHBondContact O-N 3.39Å; L108-S110 VanDerWaalsContact C-N 3.26Å; S110-K112 PolarHBondContact O-N 2.73Å; S110-S113 PolarHBondContact O-N 3.21Å; S110-S113 VanDerWaalsContact O-N 3.13Å; S110-S113 PolarHBondContact OG-N 3.48Å; S110-I114 WeakPolarHBondContact O-CD1 3.37Å; S110-I114 WeakPolarHBondContact O-CG1 3.22Å; S110-I114 PolarHBondContact O-N 2.85Å; S110-E146 WeakPolarHBondContact CB-OE2 3.23Å; S110-E146 PolarHBondContact OG-OE2 2.97Å
111L98.8Very high98.8Very high19 Ų1936.5 Ų36.510%0.09917%0.171CC..Hα-helixtrans-61.6-31.9176.6-60.6-168.2000111.4I114 R115 D147 F149 L162 L321L111-I114 HydrophobicContact CD2-CD1 4.13Å; L111-I114 PolarHBondContact O-N 2.85Å; L111-R115 WeakPolarHBondContact O-CG 3.49Å; L111-R115 PolarHBondContact O-N 3.26Å; L111-R115 VanDerWaalsContact O-N 3.07Å; L111-D147 WeakPolarHBondContact CB-OD1 3.48Å; L111-D147 HydrophobicContact CD1-CB 4.21Å; L111-D147 HydrophobicContact CG-CB 4.02Å; L111-D147 VanDerWaalsContact CG-CG 3.43Å; L111-D147 WeakPolarHBondContact CG-OD2 3.5Å; L111-D147 PolarHBondContact N-OD2 2.86Å; L111-F149 HydrophobicContact CD1-CE2 3.91Å; L111-F149 HydrophobicContact CD1-CZ 4.49Å; L111-F149 HydrophobicContact CD2-CE2 4.34Å; L111-F149 HydrophobicContact CG-CE2 4.24Å; L111-L162 HydrophobicContact CB-CD2 3.97Å; L111-L162 HydrophobicContact CD2-CD2 3.7Å; L111-L162 HydrophobicContact CG-CD2 4.24Å; L111-L321 HydrophobicContact CD1-CD2 3.86Å; L111-L321 HydrophobicContact CD2-CD2 3.7Å; L111-L321 HydrophobicContact CG-CD2 4.45Å
112K98.8Very high98.7Very high133 Ų13340.1 Ų40.158%0.57819%0.187SC*.Hα-helixtrans-60.9-51.4172.3179.5-178.5169.9-175.30111S110 I114 R115 E116S110-K112 PolarHBondContact O-N 2.73Å; K112-I114 VanDerWaalsContact C-N 3.26Å; K112-I114 PolarHBondContact O-N 2.99Å; K112-R115 PolarHBondContact O-N 3.04Å; K112-E116 WeakPolarHBondContact CE-OE1 3.32Å; K112-E116 HydrophobicContact CG-CG 4.46Å; K112-E116 IonicContact NZ-OE1 2.79Å; K112-E116 WeakPolarHBondContact O-CG 3.35Å; K112-E116 PolarHBondContact O-N 3.28Å
113S98.9Very high98.7Very high16 Ų1642 Ų4211%0.11221%0.205CC..Hα-helixtrans-58.1-40178.6-173.60000112.1D107 S110 E116 F117D107-S113 PolarHBondContact N-OG 3.34Å; D107-S113 WeakPolarHBondContact O-CB 3.46Å; S110-S113 PolarHBondContact O-N 3.21Å; S110-S113 VanDerWaalsContact O-N 3.13Å; S110-S113 PolarHBondContact OG-N 3.48Å; S113-E116 PolarHBondContact O-N 3.34Å; S113-F117 WeakPolarHBondContact O-CB 3.49Å; S113-F117 PolarHBondContact O-N 2.92Å
114I98.9Very high98.7Very high0 Ų046.2 Ų46.20%022%0.222CC..Hα-helixtrans-63.4-44.4177.9-66.3158000111.7L106 L108 S110 L111 K112 F117 A118 L162 L163 L166L106-I114 HydrophobicContact CD1-CB 4.42Å; L106-I114 HydrophobicContact CD1-CG1 3.93Å; L108-I114 HydrophobicContact CD2-CD1 4.31Å; L108-I114 HydrophobicContact CD2-CG1 4.17Å; S110-I114 WeakPolarHBondContact O-CD1 3.37Å; S110-I114 WeakPolarHBondContact O-CG1 3.22Å; S110-I114 PolarHBondContact O-N 2.85Å; L111-I114 HydrophobicContact CD2-CD1 4.13Å; L111-I114 PolarHBondContact O-N 2.85Å; K112-I114 VanDerWaalsContact C-N 3.26Å; K112-I114 PolarHBondContact O-N 2.99Å; I114-F117 PolarHBondContact O-N 3.01Å; I114-A118 WeakPolarHBondContact O-CB 3.49Å; I114-A118 PolarHBondContact O-N 2.88Å; I114-L162 HydrophobicContact CB-CD2 4.2Å; I114-L162 HydrophobicContact CD1-CD2 4.46Å; I114-L162 HydrophobicContact CG2-CB 4.23Å; I114-L162 HydrophobicContact CG2-CD2 3.91Å; I114-L162 HydrophobicContact CG2-CG 3.85Å; I114-L163 HydrophobicContact CG2-CB 3.93Å; I114-L163 HydrophobicContact CG2-CD1 4.3Å; I114-L166 HydrophobicContact CG2-CD1 4.06Å
115R98.8Very high98.7Very high91 Ų9147.3 Ų47.334%0.34323%0.225SC..Hα-helixtrans-64.3-47.9177.8-70.5174.8-168.5-75.61.3111.4L111 K112 F117 A118 D119 L162 L166L111-R115 WeakPolarHBondContact O-CG 3.49Å; L111-R115 PolarHBondContact O-N 3.26Å; L111-R115 VanDerWaalsContact O-N 3.07Å; K112-R115 PolarHBondContact O-N 3.04Å; R115-F117 VanDerWaalsContact C-N 3.32Å; R115-F117 PolarHBondContact O-N 3.18Å; R115-A118 PolarHBondContact O-N 3.4Å; R115-D119 VanDerWaalsContact O-CG 3.32Å; R115-D119 PolarHBondContact O-N 3.09Å; R115-L162 HydrophobicContact CG-CD2 4.39Å; R115-L166 HydrophobicContact CB-CD1 4.43Å; R115-L166 HydrophobicContact CG-CD1 3.84Å
116E98.9Very high98.6Very high87 Ų8748 Ų4841%0.40723%0.233SC..Hα-helixtrans-61.2-40.9177.6-70.2174.6167.500111.9K112 S113 D119 R120K112-E116 WeakPolarHBondContact CE-OE1 3.32Å; K112-E116 HydrophobicContact CG-CG 4.46Å; K112-E116 IonicContact NZ-OE1 2.79Å; K112-E116 WeakPolarHBondContact O-CG 3.35Å; K112-E116 PolarHBondContact O-N 3.28Å; S113-E116 PolarHBondContact O-N 3.34Å; E116-D119 PolarHBondContact O-N 3.04Å; E116-R120 WeakPolarHBondContact O-CG 3.48Å; E116-R120 PolarHBondContact O-N 2.74Å; E116-R120 PolarHBondContact O-NH1 3.33Å
117F98.9Very high98.6Very high0 Ų050.5 Ų50.50%024%0.243CC..Hα-helixtrans-59.3-52.6172.5173.2-87.7000111I28 I52 A54 E104 Q105 L106 S113 I114 R115 D119 R120 I121 L163 L167I28-F117 HydrophobicContact CD1-CE1 4.35Å; I28-F117 HydrophobicContact CD1-CZ 4.43Å; I28-F117 HydrophobicContact CG2-CZ 4.09Å; I52-F117 HydrophobicContact CG2-CE2 4.39Å; I52-F117 HydrophobicContact CG2-CZ 4.21Å; A54-F117 HydrophobicContact CB-CE2 3.65Å; A54-F117 HydrophobicContact CB-CZ 3.7Å; E104-F117 HydrophobicContact CB-CD2 4.01Å; E104-F117 HydrophobicContact CB-CE2 3.53Å; E104-F117 HydrophobicContact CG-CE2 4.42Å; Q105-F117 WeakPolarHBondContact O-CD2 3.35Å; L106-F117 HydrophobicContact CB-CD2 3.77Å; L106-F117 HydrophobicContact CB-CE2 4.14Å; L106-F117 HydrophobicContact CB-CG 4.18Å; L106-F117 HydrophobicContact CD1-CB 3.79Å; L106-F117 HydrophobicContact CD1-CD1 4.2Å; L106-F117 HydrophobicContact CD1-CD2 4.34Å; L106-F117 HydrophobicContact CD1-CG 3.86Å; L106-F117 HydrophobicContact CD2-CD1 4.46Å; L106-F117 HydrophobicContact CD2-CE1 4.47Å; L106-F117 HydrophobicContact CD2-CZ 4.5Å; L106-F117 HydrophobicContact CG-CD2 4.44Å; L106-F117 HydrophobicContact CG-CG 4.4Å; S113-F117 WeakPolarHBondContact O-CB 3.49Å; S113-F117 PolarHBondContact O-N 2.92Å; I114-F117 PolarHBondContact O-N 3.01Å; R115-F117 VanDerWaalsContact C-N 3.32Å; R115-F117 PolarHBondContact O-N 3.18Å; F117-D119 VanDerWaalsContact C-N 3.25Å; F117-D119 PolarHBondContact O-N 3.37Å; F117-R120 PolarHBondContact O-N 3Å; F117-R120 VanDerWaalsContact O-N 3.13Å; F117-I121 HydrophobicContact CD1-CG1 3.95Å; F117-I121 HydrophobicContact CD2-CG1 4.46Å; F117-I121 HydrophobicContact CE1-CD1 4.32Å; F117-I121 HydrophobicContact CE1-CG1 3.5Å; F117-I121 VanDerWaalsContact CE1-CG1 3.5Å; F117-I121 HydrophobicContact CE2-CD1 4.08Å; F117-I121 HydrophobicContact CE2-CG1 4.11Å; F117-I121 HydrophobicContact CG-CG1 4.41Å; F117-I121 HydrophobicContact CZ-CD1 3.9Å; F117-I121 HydrophobicContact CZ-CG1 3.59Å; F117-I121 WeakPolarHBondContact O-CG1 3.39Å; F117-I121 PolarHBondContact O-N 3.37Å; F117-L163 HydrophobicContact CD1-CD1 3.57Å; F117-L163 HydrophobicContact CE1-CD1 3.73Å; F117-L167 HydrophobicContact CE1-CD1 4.44Å
118A98.9Very high98.6Very high0 Ų049.5 Ų49.50%024%0.237CC..Hα-helixtrans-59.1-38.6-178.900000111.9I114 R115 I121 K122 L166 L167I114-A118 WeakPolarHBondContact O-CB 3.49Å; I114-A118 PolarHBondContact O-N 2.88Å; R115-A118 PolarHBondContact O-N 3.4Å; A118-I121 PolarHBondContact O-N 3.45Å; A118-K122 VanDerWaalsContact C-CE 3.49Å; A118-K122 WeakPolarHBondContact O-CB 3.31Å; A118-K122 WeakPolarHBondContact O-CE 2.93Å; A118-K122 VanDerWaalsContact O-CG 3.3Å; A118-K122 WeakPolarHBondContact O-CG 3.43Å; A118-K122 PolarHBondContact O-N 3.49Å; A118-L166 HydrophobicContact CB-CB 3.68Å; A118-L166 HydrophobicContact CB-CD1 3.91Å; A118-L166 HydrophobicContact CB-CG 4.43Å; A118-L167 HydrophobicContact CB-CD2 4.19Å
119D98.8Very high98.7Very high87 Ų8749 Ų4947%0.46524%0.235SC..Hα-helixtrans-65.9-41.4176.6-69.3-20000112.3R115 E116 F117 I121 K122 S123R115-D119 VanDerWaalsContact O-CG 3.32Å; R115-D119 PolarHBondContact O-N 3.09Å; E116-D119 PolarHBondContact O-N 3.04Å; F117-D119 VanDerWaalsContact C-N 3.25Å; F117-D119 PolarHBondContact O-N 3.37Å; D119-I121 VanDerWaalsContact C-N 3.35Å; D119-I121 PolarHBondContact O-N 2.89Å; D119-K122 PolarHBondContact O-N 3.33Å; D119-K122 VanDerWaalsContact OD1-CE 3.23Å; D119-K122 WeakPolarHBondContact OD1-CE 3.46Å; D119-K122 IonicContact OD1-NZ 3.12Å; D119-K122 PolarHBondContact OD1-NZ 2.93Å; D119-S123 WeakPolarHBondContact O-CB 3.31Å; D119-S123 PolarHBondContact O-N 3.03Å; D119-S123 PolarHBondContact O-OG 2.66Å
120R98.8Very high98.7Very high74 Ų7449.3 Ų49.328%0.27924%0.235SC..Hα-helixtrans-64-37.4172.6-69.7-168.2-49-84.61.4112.8E104 Q105 E116 F117 S123 K124E104-R120 IonicContact OE2-CZ 2.78Å; E104-R120 IonicContact OE2-NE 3.6Å; E104-R120 PolarHBondContact OE2-NE 2.72Å; E104-R120 IonicContact OE2-NH2 3.57Å; E104-R120 PolarHBondContact OE2-NH2 2.9Å; Q105-R120 PolarHBondContact O-NH2 2.99Å; E116-R120 WeakPolarHBondContact O-CG 3.48Å; E116-R120 PolarHBondContact O-N 2.74Å; E116-R120 PolarHBondContact O-NH1 3.33Å; F117-R120 PolarHBondContact O-N 3Å; F117-R120 VanDerWaalsContact O-N 3.13Å; R120-S123 PolarHBondContact O-OG 3.34Å; R120-K124 WeakPolarHBondContact O-CG 3.29Å; R120-K124 PolarHBondContact O-N 3.06Å
121I98.8Very high98.7Very high0 Ų049.1 Ų49.10%023%0.234CC..Hα-helixtrans-69.2-46.9177-61.5-43000110.4I28 I52 E104 F117 A118 D119 S123 K124 Y125 I128 L167 L170I28-I121 HydrophobicContact CD1-CG2 4.15Å; I52-I121 HydrophobicContact CD1-CD1 4.25Å; I52-I121 HydrophobicContact CG2-CD1 4.03Å; E104-I121 HydrophobicContact CG-CD1 3.96Å; F117-I121 HydrophobicContact CD1-CG1 3.95Å; F117-I121 HydrophobicContact CD2-CG1 4.46Å; F117-I121 HydrophobicContact CE1-CD1 4.32Å; F117-I121 HydrophobicContact CE1-CG1 3.5Å; F117-I121 VanDerWaalsContact CE1-CG1 3.5Å; F117-I121 HydrophobicContact CE2-CD1 4.08Å; F117-I121 HydrophobicContact CE2-CG1 4.11Å; F117-I121 HydrophobicContact CG-CG1 4.41Å; F117-I121 HydrophobicContact CZ-CD1 3.9Å; F117-I121 HydrophobicContact CZ-CG1 3.59Å; F117-I121 WeakPolarHBondContact O-CG1 3.39Å; F117-I121 PolarHBondContact O-N 3.37Å; A118-I121 PolarHBondContact O-N 3.45Å; D119-I121 VanDerWaalsContact C-N 3.35Å; D119-I121 PolarHBondContact O-N 2.89Å; I121-S123 PolarHBondContact O-N 3.13Å; I121-K124 PolarHBondContact O-N 3.36Å; I121-K124 VanDerWaalsContact O-N 3.13Å; I121-Y125 HydrophobicContact CD1-CE2 4.27Å; I121-Y125 HydrophobicContact CG2-CD2 3.89Å; I121-Y125 WeakPolarHBondContact O-CD2 3.44Å; I121-Y125 PolarHBondContact O-N 3.07Å; I121-I128 HydrophobicContact CG2-CD1 4.02Å; I121-I128 HydrophobicContact CG2-CG1 4.28Å; I121-L167 HydrophobicContact CB-CD2 4.23Å; I121-L167 HydrophobicContact CG2-CD2 4.08Å; I121-L170 HydrophobicContact CG2-CD1 3.73Å
122K98.6Very high98.7Very high79 Ų7948.2 Ų48.234%0.34323%0.229SC..Hα-helixtrans-62.6-28.4178.7-73.2175.9-66.1171.90113.4A118 D119 L170A118-K122 VanDerWaalsContact C-CE 3.49Å; A118-K122 WeakPolarHBondContact O-CB 3.31Å; A118-K122 WeakPolarHBondContact O-CE 2.93Å; A118-K122 VanDerWaalsContact O-CG 3.3Å; A118-K122 WeakPolarHBondContact O-CG 3.43Å; A118-K122 PolarHBondContact O-N 3.49Å; D119-K122 PolarHBondContact O-N 3.33Å; D119-K122 VanDerWaalsContact OD1-CE 3.23Å; D119-K122 WeakPolarHBondContact OD1-CE 3.46Å; D119-K122 IonicContact OD1-NZ 3.12Å; D119-K122 PolarHBondContact OD1-NZ 2.93Å; K122-L170 HydrophobicContact CG-CD1 3.92Å; K122-L170 HydrophobicContact CG-CD2 4.36Å; K122-L170 HydrophobicContact CG-CG 4.09Å
123S98.4Very high98.7Very high96 Ų9642.2 Ų42.267%0.67120%0.204SC*.Hα-helixtrans-78-22.2176.668.50000113.7D119 R120 I121D119-S123 WeakPolarHBondContact O-CB 3.31Å; D119-S123 PolarHBondContact O-N 3.03Å; D119-S123 PolarHBondContact O-OG 2.66Å; R120-S123 PolarHBondContact O-OG 3.34Å; I121-S123 PolarHBondContact O-N 3.13Å
124K98.4Very high98.7Very high120 Ų12042.3 Ų42.352%0.52220%0.203SC..Hα-helixtrans-102-30.6-176.8-67177.2-174-178.20113.8E104 R120 I121E104-K124 IonicContact OE1-NZ 3.04Å; E104-K124 PolarHBondContact OE1-NZ 3.32Å; R120-K124 WeakPolarHBondContact O-CG 3.29Å; R120-K124 PolarHBondContact O-N 3.06Å; I121-K124 PolarHBondContact O-N 3.36Å; I121-K124 VanDerWaalsContact O-N 3.13Å
125Y98.3Very high98.4Very high43 Ų4343.1 Ų43.117%0.16921%0.21CC..  trans-127.1139.8-172.1-53-79.3000111.2I26 I52 L102 I121 L170I26-Y125 HydrophobicContact CD1-CD1 3.75Å; I26-Y125 HydrophobicContact CD1-CE1 4.36Å; I52-Y125 HydrophobicContact CD1-CD2 3.93Å; I52-Y125 HydrophobicContact CD1-CE2 3.56Å; I52-Y125 HydrophobicContact CG1-CE2 4.27Å; L102-Y125 WeakPolarHBondContact CD1-OH 3.38Å; I121-Y125 HydrophobicContact CD1-CE2 4.27Å; I121-Y125 HydrophobicContact CG2-CD2 3.89Å; I121-Y125 WeakPolarHBondContact O-CD2 3.44Å; I121-Y125 PolarHBondContact O-N 3.07Å; Y125-L170 VanDerWaalsContact O-CD2 3.3Å; Y125-L170 WeakPolarHBondContact O-CD2 3.39Å
126N97.6Very high97.9Very high118 Ų11840.1 Ų40.163%0.63121%0.207SC*.SBendtrans-91.3-9175.962.213.1000113.3N173N126-N173 VanDerWaalsContact O-CB 3.23Å; N126-N173 WeakPolarHBondContact O-CB 3.49Å; N126-N173 PolarHBondContact O-ND2 2.95Å
127K98.5Very high97.4Very high57 Ų5738 Ų3825%0.24820%0.198CC..  trans-155.2153.7-175.679.2175.3-179.4158.70111.1G24 I26 D129 L170 N173 A174G24-K127 PolarHBondContact O-NZ 3.11Å; I26-K127 HydrophobicContact CD1-CG 4.5Å; K127-D129 IonicContact NZ-OD2 2.85Å; K127-L170 WeakPolarHBondContact CA-O 3.47Å; K127-N173 HydrophobicContact CB-CB 4.24Å; K127-A174 HydrophobicContact CB-CB 3.89Å; K127-A174 HydrophobicContact CD-CB 4.47Å; K127-A174 HydrophobicContact CG-CB 4.39Å
128I98.9Very high96.9Very high0 Ų038.2 Ų38.20%020%0.199CC..  trans-135120.8168-64.3-64000108.3I26 I28 I52 I121 F130 L170 L171 A174I26-I128 HydrophobicContact CB-CD1 4.4Å; I26-I128 HydrophobicContact CG2-CD1 3.7Å; I28-I128 HydrophobicContact CD1-CD1 3.8Å; I28-I128 HydrophobicContact CD1-CG1 3.95Å; I28-I128 HydrophobicContact CD1-CG2 4.06Å; I28-I128 HydrophobicContact CG1-CD1 4.05Å; I28-I128 HydrophobicContact CG1-CG2 4.25Å; I52-I128 HydrophobicContact CD1-CD1 3.88Å; I121-I128 HydrophobicContact CG2-CD1 4.02Å; I121-I128 HydrophobicContact CG2-CG1 4.28Å; I128-F130 WeakPolarHBondContact CG2-O 3.36Å; I128-L170 HydrophobicContact CB-CB 4.27Å; I128-L170 HydrophobicContact CG1-CB 3.93Å; I128-L170 HydrophobicContact CG1-CD1 3.92Å; I128-L170 PolarHBondContact N-O 3.15Å; I128-L171 HydrophobicContact CB-CD2 4.35Å; I128-L171 HydrophobicContact CG2-CD2 4.06Å; I128-A174 VanDerWaalsContact C-CB 3.44Å; I128-A174 WeakPolarHBondContact O-CB 3.47Å
129D98.8Very high96.3Very high1 Ų139.5 Ų39.51%0.00521%0.206CC..SBendtrans-83.8-32.4-176.7-61-96.5000112.4K25 I26 K127 S177 R178K25-D129 VanDerWaalsContact CA-OD2 3.31Å; K25-D129 WeakPolarHBondContact CA-OD2 3.48Å; K25-D129 HydrophobicContact CB-CB 4.14Å; K25-D129 HydrophobicContact CD-CB 3.84Å; K25-D129 WeakPolarHBondContact CD-OD1 3.43Å; K25-D129 IonicContact NZ-OD1 3.59Å; K25-D129 PolarHBondContact NZ-OD1 3.04Å; I26-D129 PolarHBondContact N-OD2 3.16Å; I26-D129 PolarHBondContact O-N 3.36Å; K127-D129 IonicContact NZ-OD2 2.85Å; D129-S177 CarbonylContact O-C 3.57Å; D129-S177 VanDerWaalsContact O-CA 3.22Å; D129-S177 WeakPolarHBondContact O-CA 3.32Å; D129-S177 WeakPolarHBondContact O-CB 3.47Å; D129-R178 PolarHBondContact O-N 3.1Å
130F98.9Very high95.8Very high10 Ų1037.5 Ų37.54%0.04419%0.194CC..EExtended strand (participates in β ladder)trans-135.5126.9178.8-51.7-80.6000111.7L22 K25 I26 A27 I28 I128 I132 R178 A281L22-F130 HydrophobicContact CD1-CE2 4.2Å; L22-F130 HydrophobicContact CD2-CE2 3.9Å; L22-F130 HydrophobicContact CD2-CZ 3.77Å; K25-F130 HydrophobicContact CB-CE2 3.97Å; K25-F130 HydrophobicContact CG-CE2 4.35Å; I26-F130 PolarHBondContact O-N 3.2Å; I26-F130 VanDerWaalsContact O-N 3.11Å; A27-F130 CarbonylContact C-O 3.42Å; A27-F130 VanDerWaalsContact CA-O 3.3Å; A27-F130 WeakPolarHBondContact CA-O 3.39Å; A27-F130 HydrophobicContact CB-CB 3.86Å; A27-F130 HydrophobicContact CB-CD2 4.1Å; A27-F130 HydrophobicContact CB-CG 4.44Å; I28-F130 PolarHBondContact N-O 3.16Å; I128-F130 WeakPolarHBondContact CG2-O 3.36Å; F130-I132 HydrophobicContact CB-CD1 4.17Å; F130-R178 CarbonylContact C-O 3.55Å; F130-R178 WeakPolarHBondContact CA-O 3.36Å; F130-R178 HydrophobicContact CD1-CB 4.03Å; F130-R178 HydrophobicContact CD1-CG 4.3Å; F130-R178 HydrophobicContact CE1-CB 4.49Å; F130-R178 HydrophobicContact CE1-CG 4.27Å; F130-A281 HydrophobicContact CD1-CB 4.29Å; F130-A281 HydrophobicContact CE1-CB 4.33Å; F130-A281 VanDerWaalsContact CE1-O 3.27Å; F130-A281 WeakPolarHBondContact CE1-O 3.3Å
131L98.9Very high95.5Very high0 Ų039.7 Ų39.70%021%0.211CC..EExtended strand (participates in β ladder)trans-111.1109.5164.817660.5000109I28 L163 T164 L167 L171 R178 I179 I180I28-L131 HydrophobicContact CB-CD1 3.92Å; I28-L131 HydrophobicContact CG2-CD1 3.86Å; L131-L163 HydrophobicContact CD1-CD2 4.18Å; L131-T164 HydrophobicContact CD2-CG2 4.34Å; L131-L167 HydrophobicContact CD1-CD1 4.27Å; L131-L167 HydrophobicContact CD2-CD1 4.38Å; L131-L171 HydrophobicContact CB-CD1 4.44Å; L131-L171 HydrophobicContact CB-CD2 4.04Å; L131-L171 HydrophobicContact CD2-CD1 4.16Å; L131-R178 PolarHBondContact N-O 3.49Å; L131-I179 HydrophobicContact CD2-CG2 4.46Å; L131-I179 WeakPolarHBondContact O-CA 3.48Å; L131-I180 PolarHBondContact O-N 3.42Å
132I98.9Very high95.4Very high0 Ų042.8 Ų42.80%022%0.224CC..EExtended strand (participates in β ladder)trans-10298.5178.3-43.3-58.9000108.9I28 V29 T30 T40 L44 F130 N134 I180 T277I28-I132 PolarHBondContact O-N 2.91Å; V29-I132 HydrophobicContact CB-CB 4.44Å; V29-I132 HydrophobicContact CG1-CB 4.15Å; V29-I132 HydrophobicContact CG1-CG2 4.35Å; V29-I132 HydrophobicContact CG2-CB 4.27Å; V29-I132 HydrophobicContact CG2-CG1 4.04Å; T30-I132 PolarHBondContact N-O 3.42Å; T30-I132 VanDerWaalsContact N-O 3.08Å; T30-I132 PolarHBondContact OG1-O 3.27Å; T40-I132 HydrophobicContact CG2-CG2 4.4Å; L44-I132 HydrophobicContact CD1-CG1 4.47Å; F130-I132 HydrophobicContact CB-CD1 4.17Å; I132-N134 HydrophobicContact CG2-CB 4.01Å; I132-N134 PolarHBondContact O-N 2.9Å; I132-I180 HydrophobicContact CD1-CB 3.85Å; I132-I180 HydrophobicContact CD1-CD1 3.45Å; I132-I180 VanDerWaalsContact CD1-CD1 3.45Å; I132-I180 HydrophobicContact CD1-CG1 4.1Å; I132-T277 HydrophobicContact CG2-CG2 3.72Å
133N98.8Very high95.4Very high7 Ų741.9 Ų41.94%0.03723%0.225CC..EExtended strand (participates in β ladder)trans-77.276.7172.9-70.5-43000109.2P160 T164 I180 N181 V182N133-P160 HydrophobicContact CB-CB 4.22Å; N133-T164 PolarHBondContact ND2-OG1 3.06Å; N133-T164 VanDerWaalsContact ND2-OG1 3.1Å; N133-I180 PolarHBondContact N-O 3.35Å; N133-N181 PolarHBondContact ND2-OD1 3.27Å; N133-V182 PolarHBondContact O-N 3.46Å
134N98.1Very high95.4Very high19 Ų1940.4 Ų40.410%0.10221%0.212CC..  trans-96.5-34.8-176.1163.189.4000113.3V29 T30 G31 G37 I132 G136 V182V29-N134 HydrophobicContact CG1-CB 4.46Å; T30-N134 WeakPolarHBondContact O-CB 3.49Å; T30-N134 PolarHBondContact O-ND2 3.11Å; T30-N134 PolarHBondContact OG1-N 3.31Å; G31-N134 PolarHBondContact O-ND2 2.8Å; G37-N134 VanDerWaalsContact CA-ND2 3.32Å; G37-N134 WeakPolarHBondContact CA-ND2 3.48Å; G37-N134 PolarHBondContact N-OD1 2.97Å; I132-N134 HydrophobicContact CG2-CB 4.01Å; I132-N134 PolarHBondContact O-N 2.9Å; N134-G136 PolarHBondContact O-N 3.48Å; N134-V182 HydrophobicContact CB-CG2 3.98Å
135A92.6Very high95.4Very high17 Ų1735 Ų3514%0.1419%0.189CC..  trans-53.4138.4-178.100000111.2T30 L108T30-A135 PolarHBondContact O-N 2.77Å; T30-A135 VanDerWaalsContact O-N 3.13Å; T30-A135 WeakPolarHBondContact OG1-CB 3.23Å; T30-A135 PolarHBondContact OG1-N 3.15Å; L108-A135 HydrophobicContact CD1-CB 3.52Å
136G89.3Confident95.4Very high28 Ų2839.9 Ų39.929%0.28921%0.213SC..  trans-175.4162.1172.100000112.3N134 N156N134-G136 PolarHBondContact O-N 3.48Å; G136-N156 WeakPolarHBondContact CA-OD1 3.3Å
137L88.4Confident95.4Very high41 Ų4137.7 Ų37.722%0.21520%0.201CC..  trans-145.2173.1-179.260.371.8000110.9L139 M151 V155 N156 Y210L137-L139 HydrophobicContact CD1-CD2 4.25Å; L137-L139 HydrophobicContact CD1-CG 3.83Å; L137-M151 HydrophobicContact CD1-CG 4.45Å; L137-V155 HydrophobicContact CD2-CB 4.18Å; L137-V155 HydrophobicContact CD2-CG1 4.01Å; L137-V155 HydrophobicContact CD2-CG2 4.03Å; L137-V155 HydrophobicContact CG-CB 4.12Å; L137-V155 HydrophobicContact CG-CG1 3.94Å; L137-V155 HydrophobicContact CG-CG2 4.49Å; L137-N156 PolarHBondContact N-OD1 3.33Å; L137-N156 PolarHBondContact O-ND2 2.9Å; L137-N156 PolarHBondContact O-OD1 3.41Å; L137-Y210 WeakPolarHBondContact O-CD2 3.13Å
138I87.7Confident95.4Very high5 Ų537 Ų373%0.02621%0.211CC..  trans-138.4127.6165.5177.1172.3000107A206 L207 Y210 V247 M251I138-A206 HydrophobicContact CD1-CB 4.12Å; I138-A206 WeakPolarHBondContact CD1-O 3.41Å; I138-A206 HydrophobicContact CG1-CB 4.08Å; I138-L207 HydrophobicContact CD1-CD2 3.91Å; I138-Y210 HydrophobicContact CB-CD2 3.92Å; I138-Y210 HydrophobicContact CB-CG 4.15Å; I138-Y210 HydrophobicContact CD1-CD1 4.32Å; I138-Y210 HydrophobicContact CD1-CG 3.97Å; I138-Y210 HydrophobicContact CG1-CG 4.32Å; I138-V247 HydrophobicContact CG2-CG1 3.88Å; I138-V247 WeakPolarHBondContact CG2-O 3.24Å; I138-M251 HydrophobicContact CD1-CE 3.96Å; I138-M251 HydrophobicContact CD1-SD 3.81Å; I138-M251 HydrophobicContact CG1-SD 4.43Å; I138-M251 HydrophobicContact CG2-CG 4.36Å; I138-M251 HydrophobicContact CG2-SD 4.17Å
139L87.1Confident95.4Very high27 Ų2737.9 Ų37.914%0.14122%0.215CC..  trans-106.6137176.5-64.7-168.7000111.4L137 T143 M151 Y204 A206 D250L137-L139 HydrophobicContact CD1-CD2 4.25Å; L137-L139 HydrophobicContact CD1-CG 3.83Å; L139-T143 VanDerWaalsContact CD1-OG1 3.29Å; L139-T143 WeakPolarHBondContact CD1-OG1 3.38Å; L139-M151 HydrophobicContact CD1-CB 3.91Å; L139-M151 HydrophobicContact CD1-CG 3.47Å; L139-M151 VanDerWaalsContact CD1-CG 3.47Å; L139-M151 HydrophobicContact CG-CG 4.33Å; L139-Y204 PolarHBondContact O-OH 2.84Å; L139-A206 WeakPolarHBondContact O-CB 3.2Å; L139-D250 HydrophobicContact CD2-CB 4.2Å; L139-D250 WeakPolarHBondContact CD2-OD2 3.5Å
140Q87.1Confident95.4Very high46 Ų4637.8 Ų37.822%0.21521%0.214CC..SBendtrans-66.3-40.1176.4-178.859.243.200112D250Q140-D250 WeakPolarHBondContact CB-O 3.13Å
141N93.4Very high95.3Very high120 Ų12038.6 Ų38.664%0.64222%0.219SC*.SBendtrans-107.6143.3-176-62.8-32.9000110.6T143N141-T143 PolarHBondContact O-N 3.01Å
142Y96.8Very high95.2Very high65 Ų6538.6 Ų38.626%0.25522%0.219SC..  trans-60.9126.6173.9-178-88.8000110.5T144 E150 Q201 Y204Y142-T144 HydrophobicContact CE1-CG2 3.82Å; Y142-E150 HydrophobicContact CD2-CG 4.01Å; Y142-E150 HydrophobicContact CE2-CB 4.06Å; Y142-E150 HydrophobicContact CE2-CG 3.77Å; Y142-Q201 HydrophobicContact CD1-CB 3.67Å; Y142-Q201 HydrophobicContact CD1-CG 3.66Å; Y142-Q201 HydrophobicContact CD2-CB 4.34Å; Y142-Q201 HydrophobicContact CE1-CB 3.73Å; Y142-Q201 HydrophobicContact CE1-CG 4.19Å; Y142-Q201 HydrophobicContact CE2-CB 4.38Å; Y142-Q201 HydrophobicContact CG-CB 3.98Å; Y142-Q201 HydrophobicContact CG-CG 4Å; Y142-Y204 AromaticContact CD2-CD2 3.73Å; Y142-Y204 HydrophobicContact CD2-CD2 3.73Å; Y142-Y204 HydrophobicContact CD2-CE2 4.49Å; Y142-Y204 AromaticContact CD2-CG 3.79Å; Y142-Y204 HydrophobicContact CD2-CG 3.79Å; Y142-Y204 HydrophobicContact CG-CG 4.36Å
143T98Very high95.2Very high60 Ų6038.6 Ų38.637%0.36822%0.219SC..  trans-145.6169.4169.855.90000108.2L139 N141 M151L139-T143 VanDerWaalsContact CD1-OG1 3.29Å; L139-T143 WeakPolarHBondContact CD1-OG1 3.38Å; N141-T143 PolarHBondContact O-N 3.01Å; T143-M151 WeakPolarHBondContact O-CB 3.14Å; T143-M151 PolarHBondContact O-N 3.29Å; T143-M151 WeakPolarHBondContact OG1-CB 3.4Å
144T98.5Very high95.2Very high65 Ų6538.4 Ų38.440%0.39922%0.218SC..BIsolated β-bridgetrans-120.2152.9-179.758.70000112.5Y142 F149 M151Y142-T144 HydrophobicContact CE1-CG2 3.82Å; T144-F149 CarbonylContact C-O 3.44Å; T144-F149 WeakPolarHBondContact CA-O 3.33Å; T144-F149 WeakPolarHBondContact CB-O 3.3Å; T144-M151 WeakPolarHBondContact O-CE 3.37Å
145T98.5Very high95.2Very high7 Ų738.1 Ų38.14%0.04322%0.217CC..  trans-62171.5164.764.30000111A109 D147 G148 F149 M151A109-T145 HydrophobicContact CB-CG2 4.11Å; A109-T145 VanDerWaalsContact O-CB 3.25Å; A109-T145 WeakPolarHBondContact O-CB 3.29Å; T145-D147 PolarHBondContact O-N 3.19Å; T145-D147 PolarHBondContact OG1-N 2.83Å; T145-G148 PolarHBondContact O-N 3.08Å; T145-G148 VanDerWaalsContact O-N 3.08Å; T145-G148 PolarHBondContact OG1-N 3.33Å; T145-F149 HydrophobicContact CG2-CB 4.18Å; T145-F149 PolarHBondContact N-O 2.89Å; T145-F149 PolarHBondContact OG1-N 2.93Å; T145-F149 PolarHBondContact OG1-O 3.41Å; T145-M151 HydrophobicContact CG2-SD 4.05Å
146E97.9Very high95.4Very high144 Ų14437.4 Ų37.467%0.67321%0.211SC*.THydrogen-bonded Turntrans-56.1-35.2173.5-67.6-175.2172.400111.8A109 S110A109-E146 PolarHBondContact O-N 3.26Å; S110-E146 WeakPolarHBondContact CB-OE2 3.23Å; S110-E146 PolarHBondContact OG-OE2 2.97Å
147D98.5Very high95.9Very high72 Ų7236.1 Ų36.139%0.38520%0.197SC..THydrogen-bonded Turntrans-89.67.7-178.8-47-94000114.4L111 T145 F149L111-D147 WeakPolarHBondContact CB-OD1 3.48Å; L111-D147 HydrophobicContact CD1-CB 4.21Å; L111-D147 HydrophobicContact CG-CB 4.02Å; L111-D147 VanDerWaalsContact CG-CG 3.43Å; L111-D147 WeakPolarHBondContact CG-OD2 3.5Å; L111-D147 PolarHBondContact N-OD2 2.86Å; T145-D147 PolarHBondContact O-N 3.19Å; T145-D147 PolarHBondContact OG1-N 2.83Å; D147-F149 HydrophobicContact CB-CD2 4.01Å; D147-F149 HydrophobicContact CB-CE2 3.78Å
148G98Very high96.4Very high44 Ų4434.2 Ų34.245%0.45419%0.187SC..SBendtrans86.18173.200000116.8T145T145-G148 PolarHBondContact O-N 3.08Å; T145-G148 VanDerWaalsContact O-N 3.08Å; T145-G148 PolarHBondContact OG1-N 3.33Å
149F98.6Very high96.9Very high17 Ų1734 Ų348%0.07519%0.186CC..SBendtrans-76.2149171.3-56.8-71.5000110.9L111 T144 T145 D147 M151 F158 L320 L321L111-F149 HydrophobicContact CD1-CE2 3.91Å; L111-F149 HydrophobicContact CD1-CZ 4.49Å; L111-F149 HydrophobicContact CD2-CE2 4.34Å; L111-F149 HydrophobicContact CG-CE2 4.24Å; T144-F149 CarbonylContact C-O 3.44Å; T144-F149 WeakPolarHBondContact CA-O 3.33Å; T144-F149 WeakPolarHBondContact CB-O 3.3Å; T145-F149 HydrophobicContact CG2-CB 4.18Å; T145-F149 PolarHBondContact N-O 2.89Å; T145-F149 PolarHBondContact OG1-N 2.93Å; T145-F149 PolarHBondContact OG1-O 3.41Å; D147-F149 HydrophobicContact CB-CD2 4.01Å; D147-F149 HydrophobicContact CB-CE2 3.78Å; F149-M151 PolarHBondContact O-N 3.28Å; F149-F158 HydrophobicContact CB-CD2 3.95Å; F149-F158 HydrophobicContact CB-CE2 4.29Å; F149-F158 AromaticContact CD1-CD2 3.76Å; F149-F158 HydrophobicContact CD1-CD2 3.76Å; F149-F158 AromaticContact CD1-CE2 3.77Å; F149-F158 HydrophobicContact CD1-CE2 3.77Å; F149-F158 HydrophobicContact CD1-CG 4.28Å; F149-F158 HydrophobicContact CD1-CZ 4.28Å; F149-F158 AromaticContact CG-CD2 3.84Å; F149-F158 HydrophobicContact CG-CD2 3.84Å; F149-F158 HydrophobicContact CG-CE2 4.23Å; F149-F158 HydrophobicContact CG-CG 4.4Å; F149-L320 HydrophobicContact CE1-CB 4.15Å; F149-L320 WeakPolarHBondContact CZ-O 3.44Å; F149-L321 HydrophobicContact CE2-CD2 4.25Å; F149-L321 HydrophobicContact CZ-CD2 4.14Å
150E98.3Very high97.5Very high0 Ų032.9 Ų32.90%018%0.18CC..BIsolated β-bridgetrans-54.8126.7167.7-176.4-76.4124.200109Y142 T152 M153 G154 Q198 Y204Y142-E150 HydrophobicContact CD2-CG 4.01Å; Y142-E150 HydrophobicContact CE2-CB 4.06Å; Y142-E150 HydrophobicContact CE2-CG 3.77Å; E150-T152 VanDerWaalsContact CD-N 3.33Å; E150-T152 PolarHBondContact O-N 3.45Å; E150-T152 WeakPolarHBondContact OE1-CA 3.3Å; E150-T152 WeakPolarHBondContact OE1-CB 3.44Å; E150-T152 PolarHBondContact OE1-N 3.36Å; E150-T152 PolarHBondContact OE1-OG1 2.84Å; E150-T152 VanDerWaalsContact OE1-OG1 3.13Å; E150-T152 WeakPolarHBondContact OE2-CB 3.46Å; E150-T152 PolarHBondContact OE2-N 3.08Å; E150-M153 PolarHBondContact O-N 3.44Å; E150-M153 VanDerWaalsContact O-N 3.16Å; E150-M153 WeakPolarHBondContact OE2-CB 3.45Å; E150-M153 VanDerWaalsContact OE2-CG 3.3Å; E150-M153 WeakPolarHBondContact OE2-CG 3.28Å; E150-M153 PolarHBondContact OE2-N 3.18Å; E150-G154 PolarHBondContact O-N 3.2Å; E150-Q198 HydrophobicContact CB-CB 4.2Å; E150-Q198 HydrophobicContact CB-CG 4.46Å; E150-Y204 HydrophobicContact CG-CD2 3.89Å; E150-Y204 HydrophobicContact CG-CE2 3.78Å; E150-Y204 VanDerWaalsContact OE1-CE2 3.22Å; E150-Y204 WeakPolarHBondContact OE1-CE2 3.48Å
151M98.3Very high98Very high27 Ų2730.7 Ų30.713%0.13317%0.17CC..Hα-helixtrans-55.5-42.3-164.7-176.462.37600114.6A109 L137 L139 T143 T144 T145 F149 G154 V155A109-M151 HydrophobicContact CB-CE 4.4Å; A109-M151 HydrophobicContact CB-SD 3.73Å; L137-M151 HydrophobicContact CD1-CG 4.45Å; L139-M151 HydrophobicContact CD1-CB 3.91Å; L139-M151 HydrophobicContact CD1-CG 3.47Å; L139-M151 VanDerWaalsContact CD1-CG 3.47Å; L139-M151 HydrophobicContact CG-CG 4.33Å; T143-M151 WeakPolarHBondContact O-CB 3.14Å; T143-M151 PolarHBondContact O-N 3.29Å; T143-M151 WeakPolarHBondContact OG1-CB 3.4Å; T144-M151 WeakPolarHBondContact O-CE 3.37Å; T145-M151 HydrophobicContact CG2-SD 4.05Å; F149-M151 PolarHBondContact O-N 3.28Å; M151-G154 PolarHBondContact O-N 3.15Å; M151-V155 PolarHBondContact O-N 2.91Å; M151-V155 HydrophobicContact SD-CG2 3.88Å
152T96.4Very high98.3Very high0 Ų025 Ų250%014%0.139CC..Hα-helixtrans-65.4-47.7179.8-550000110.8E150 N156 Y204 Y210E150-T152 VanDerWaalsContact CD-N 3.33Å; E150-T152 PolarHBondContact O-N 3.45Å; E150-T152 WeakPolarHBondContact OE1-CA 3.3Å; E150-T152 WeakPolarHBondContact OE1-CB 3.44Å; E150-T152 PolarHBondContact OE1-N 3.36Å; E150-T152 PolarHBondContact OE1-OG1 2.84Å; E150-T152 VanDerWaalsContact OE1-OG1 3.13Å; E150-T152 WeakPolarHBondContact OE2-CB 3.46Å; E150-T152 PolarHBondContact OE2-N 3.08Å; T152-N156 WeakPolarHBondContact O-CB 3.46Å; T152-N156 PolarHBondContact O-N 2.94Å; T152-Y204 PolarHBondContact OG1-OH 3.46Å; T152-Y210 HydrophobicContact CG2-CD2 4.29Å
153M98.4Very high98.4Very high0 Ų021.9 Ų21.90%013%0.127CC..Hα-helixtrans-63.7-40.2173.5-76.4-61.6-58.700112.4E150 Y157 F158 L197 Q198 T212 S213 A216E150-M153 PolarHBondContact O-N 3.44Å; E150-M153 VanDerWaalsContact O-N 3.16Å; E150-M153 WeakPolarHBondContact OE2-CB 3.45Å; E150-M153 VanDerWaalsContact OE2-CG 3.3Å; E150-M153 WeakPolarHBondContact OE2-CG 3.28Å; E150-M153 PolarHBondContact OE2-N 3.18Å; M153-Y157 HydrophobicContact CE-CD1 3.68Å; M153-Y157 HydrophobicContact CE-CG 4.24Å; M153-Y157 WeakPolarHBondContact O-CA 3.5Å; M153-Y157 WeakPolarHBondContact O-CB 3.39Å; M153-Y157 PolarHBondContact O-N 3.42Å; M153-F158 HydrophobicContact CB-CD2 4.04Å; M153-F158 HydrophobicContact CB-CE2 3.8Å; M153-F158 HydrophobicContact CE-CE2 4.28Å; M153-F158 HydrophobicContact CE-CZ 4.39Å; M153-F158 PolarHBondContact O-N 3.43Å; M153-L197 WeakPolarHBondContact CE-O 3.38Å; M153-Q198 HydrophobicContact CB-CB 4.11Å; M153-Q198 HydrophobicContact CG-CB 3.82Å; M153-T212 HydrophobicContact SD-CG2 3.92Å; M153-S213 WeakPolarHBondContact SD-CA 3.45Å; M153-S213 VanDerWaalsContact SD-CB 3.53Å; M153-S213 PolarHBondContact SD-N 3.4Å; M153-S213 VanDerWaalsContact SD-N 3.44Å; M153-A216 HydrophobicContact CE-CB 4.29Å
154G98.7Very high98.4Very high2 Ų219 Ų192%0.02111%0.11CC..Iπ-helixtrans-54-60.7174.900000112.1E150 M151 F158 G159E150-G154 PolarHBondContact O-N 3.2Å; M151-G154 PolarHBondContact O-N 3.15Å; G154-F158 PolarHBondContact O-N 3.29Å; G154-G159 PolarHBondContact O-N 3.2Å
155V98Very high98.4Very high14 Ų1417 Ų179%0.08510%0.096CC..Iπ-helixtrans-72.4-40.2-175.4172.40000112.7L108 A109 L137 M151 P160L108-V155 HydrophobicContact CB-CG1 4.27Å; A109-V155 HydrophobicContact CB-CG2 3.81Å; L137-V155 HydrophobicContact CD2-CB 4.18Å; L137-V155 HydrophobicContact CD2-CG1 4.01Å; L137-V155 HydrophobicContact CD2-CG2 4.03Å; L137-V155 HydrophobicContact CG-CB 4.12Å; L137-V155 HydrophobicContact CG-CG1 3.94Å; L137-V155 HydrophobicContact CG-CG2 4.49Å; M151-V155 PolarHBondContact O-N 2.91Å; M151-V155 HydrophobicContact SD-CG2 3.88Å; V155-P160 WeakPolarHBondContact O-CD 3.31Å; V155-P160 WeakPolarHBondContact O-CG 3Å
156N98.2Very high98.4Very high2 Ų218.2 Ų18.21%0.01110%0.102CC..Iπ-helixtrans-84.7-22-173.4-64.1-0.6000113.1G136 L137 T152 S213 N217G136-N156 WeakPolarHBondContact CA-OD1 3.3Å; L137-N156 PolarHBondContact N-OD1 3.33Å; L137-N156 PolarHBondContact O-ND2 2.9Å; L137-N156 PolarHBondContact O-OD1 3.41Å; T152-N156 WeakPolarHBondContact O-CB 3.46Å; T152-N156 PolarHBondContact O-N 2.94Å; N156-S213 PolarHBondContact ND2-OG 2.75Å; N156-N217 PolarHBondContact O-ND2 3.24Å
157Y98.9Very high98.4Very high1 Ų111.4 Ų11.40%0.0047%0.07CC..Iπ-helixtrans-133.4-64.5-172.8174.6-116.9000114.3M153 G159 P160 F161 A216 H220 F313 T317M153-Y157 HydrophobicContact CE-CD1 3.68Å; M153-Y157 HydrophobicContact CE-CG 4.24Å; M153-Y157 WeakPolarHBondContact O-CA 3.5Å; M153-Y157 WeakPolarHBondContact O-CB 3.39Å; M153-Y157 PolarHBondContact O-N 3.42Å; Y157-G159 VanDerWaalsContact C-N 3.33Å; Y157-G159 PolarHBondContact O-N 3.46Å; Y157-P160 WeakPolarHBondContact O-CD 3.41Å; Y157-F161 HydrophobicContact CE2-CB 4.19Å; Y157-F161 AromaticContact CE2-CD2 3.91Å; Y157-F161 HydrophobicContact CE2-CD2 3.91Å; Y157-F161 HydrophobicContact CE2-CG 4.47Å; Y157-F161 AromaticContact CZ-CD2 3.91Å; Y157-F161 WeakPolarHBondContact O-CB 3.47Å; Y157-F161 PolarHBondContact O-N 2.85Å; Y157-F161 WeakPolarHBondContact OH-CD2 3.32Å; Y157-A216 HydrophobicContact CD1-CB 3.84Å; Y157-A216 HydrophobicContact CD2-CB 3.55Å; Y157-A216 HydrophobicContact CE1-CB 4.22Å; Y157-A216 HydrophobicContact CE2-CB 3.98Å; Y157-A216 HydrophobicContact CG-CB 3.47Å; Y157-A216 VanDerWaalsContact CG-CB 3.47Å; Y157-H220 HydrophobicContact CE2-CB 3.96Å; Y157-F313 HydrophobicContact CD1-CZ 4.47Å; Y157-F313 AromaticContact CE1-CE1 3.63Å; Y157-F313 HydrophobicContact CE1-CE1 3.63Å; Y157-F313 AromaticContact CE1-CZ 3.86Å; Y157-F313 HydrophobicContact CE1-CZ 3.86Å; Y157-F313 HydrophobicContact CE2-CE1 4.05Å; Y157-F313 AromaticContact CZ-CE1 3.34Å; Y157-F313 WeakPolarHBondContact OH-CE1 3.12Å; Y157-T317 HydrophobicContact CE1-CG2 3.78Å; Y157-T317 WeakPolarHBondContact OH-CB 3.48Å; Y157-T317 VanDerWaalsContact OH-CG2 3.27Å; Y157-T317 WeakPolarHBondContact OH-CG2 3.2Å; Y157-T317 PolarHBondContact OH-OG1 3.4Å
158F98.9Very high98.4Very high1 Ų18.1 Ų8.10%0.0045%0.053CC..Iπ-helixtrans-60-44-171.9-69.2-58.5000112.1F149 M153 G154 F161 L162 L197 Q198 T317 L320 L321F149-F158 HydrophobicContact CB-CD2 3.95Å; F149-F158 HydrophobicContact CB-CE2 4.29Å; F149-F158 AromaticContact CD1-CD2 3.76Å; F149-F158 HydrophobicContact CD1-CD2 3.76Å; F149-F158 AromaticContact CD1-CE2 3.77Å; F149-F158 HydrophobicContact CD1-CE2 3.77Å; F149-F158 HydrophobicContact CD1-CG 4.28Å; F149-F158 HydrophobicContact CD1-CZ 4.28Å; F149-F158 AromaticContact CG-CD2 3.84Å; F149-F158 HydrophobicContact CG-CD2 3.84Å; F149-F158 HydrophobicContact CG-CE2 4.23Å; F149-F158 HydrophobicContact CG-CG 4.4Å; M153-F158 HydrophobicContact CB-CD2 4.04Å; M153-F158 HydrophobicContact CB-CE2 3.8Å; M153-F158 HydrophobicContact CE-CE2 4.28Å; M153-F158 HydrophobicContact CE-CZ 4.39Å; M153-F158 PolarHBondContact O-N 3.43Å; G154-F158 PolarHBondContact O-N 3.29Å; F158-F161 PolarHBondContact O-N 2.86Å; F158-L162 PolarHBondContact O-N 2.78Å; F158-L197 HydrophobicContact CE1-CD1 4.38Å; F158-L197 HydrophobicContact CZ-CB 4.16Å; F158-Q198 HydrophobicContact CE2-CB 4.45Å; F158-T317 HydrophobicContact CD1-CG2 4.1Å; F158-T317 HydrophobicContact CE1-CG2 4.33Å; F158-L320 HydrophobicContact CE1-CD1 3.95Å; F158-L320 HydrophobicContact CZ-CD1 4Å; F158-L321 HydrophobicContact CB-CD2 4.17Å
159G98.9Very high98.3Very high0 Ų09.5 Ų9.50%05%0.054CC..Hα-helixtrans-61.6-55.4175.700000112.9G154 Y157 F161 L162 L163G154-G159 PolarHBondContact O-N 3.2Å; Y157-G159 VanDerWaalsContact C-N 3.33Å; Y157-G159 PolarHBondContact O-N 3.46Å; G159-F161 VanDerWaalsContact C-N 3.29Å; G159-F161 PolarHBondContact O-N 3.48Å; G159-L162 PolarHBondContact O-N 2.8Å; G159-L163 WeakPolarHBondContact O-CB 3.47Å; G159-L163 PolarHBondContact O-N 3.1Å
160P98.9Very high98.3Very high3 Ų39.2 Ų9.22%0.0195%0.053CC..Hα-helixtrans-56.9-34.7173.8-3137.3000115.1L108 N133 V155 Y157 T164L108-P160 HydrophobicContact CD1-CG 4.08Å; L108-P160 HydrophobicContact CD2-CG 4.4Å; N133-P160 HydrophobicContact CB-CB 4.22Å; V155-P160 WeakPolarHBondContact O-CD 3.31Å; V155-P160 WeakPolarHBondContact O-CG 3Å; Y157-P160 WeakPolarHBondContact O-CD 3.41Å; P160-T164 VanDerWaalsContact O-CB 3.31Å; P160-T164 WeakPolarHBondContact O-CB 3.28Å; P160-T164 PolarHBondContact O-N 3.23Å; P160-T164 PolarHBondContact O-OG1 2.86Å
161F98.9Very high98.4Very high0 Ų09.2 Ų9.20%05%0.053CC..Hα-helixtrans-62.5-54.2173.9-175.2-78.9000110.1Y157 F158 G159 L163 T164 E165 H220 W314 T317 L321 I323Y157-F161 HydrophobicContact CE2-CB 4.19Å; Y157-F161 AromaticContact CE2-CD2 3.91Å; Y157-F161 HydrophobicContact CE2-CD2 3.91Å; Y157-F161 HydrophobicContact CE2-CG 4.47Å; Y157-F161 AromaticContact CZ-CD2 3.91Å; Y157-F161 WeakPolarHBondContact O-CB 3.47Å; Y157-F161 PolarHBondContact O-N 2.85Å; Y157-F161 WeakPolarHBondContact OH-CD2 3.32Å; F158-F161 PolarHBondContact O-N 2.86Å; G159-F161 VanDerWaalsContact C-N 3.29Å; G159-F161 PolarHBondContact O-N 3.48Å; F161-L163 VanDerWaalsContact C-N 3.33Å; F161-L163 PolarHBondContact O-N 3.1Å; F161-T164 WeakPolarHBondContact O-CB 3.49Å; F161-T164 PolarHBondContact O-N 2.97Å; F161-T164 VanDerWaalsContact O-N 3.15Å; F161-E165 HydrophobicContact CD1-CG 4.01Å; F161-E165 HydrophobicContact CE1-CG 3.71Å; F161-E165 HydrophobicContact CZ-CG 4.33Å; F161-E165 PolarHBondContact O-N 2.82Å; F161-H220 AromaticContact CD2-CD2 3.34Å; F161-H220 WeakPolarHBondContact CD2-CD2 3.44Å; F161-H220 AromaticContact CD2-NE2 3.5Å; F161-H220 WeakPolarHBondContact CD2-NE2 3.48Å; F161-H220 AromaticContact CE2-CD2 3.57Å; F161-H220 AromaticContact CE2-NE2 3.87Å; F161-W314 HydrophobicContact CE2-CD2 4.08Å; F161-W314 AromaticContact CE2-CE3 3.68Å; F161-W314 HydrophobicContact CE2-CE3 3.68Å; F161-W314 HydrophobicContact CE2-CH2 4.02Å; F161-W314 HydrophobicContact CE2-CZ2 4.4Å; F161-W314 AromaticContact CE2-CZ3 3.65Å; F161-W314 HydrophobicContact CE2-CZ3 3.65Å; F161-W314 AromaticContact CZ-CD2 3.96Å; F161-W314 HydrophobicContact CZ-CD2 3.96Å; F161-W314 AromaticContact CZ-CE2 3.9Å; F161-W314 HydrophobicContact CZ-CE3 4Å; F161-W314 AromaticContact CZ-CH2 3.9Å; F161-W314 HydrophobicContact CZ-CH2 3.9Å; F161-W314 AromaticContact CZ-CZ2 3.88Å; F161-W314 HydrophobicContact CZ-CZ2 3.88Å; F161-W314 AromaticContact CZ-CZ3 3.98Å; F161-W314 HydrophobicContact CZ-CZ3 3.98Å; F161-T317 HydrophobicContact CB-CG2 4.3Å; F161-T317 HydrophobicContact CD1-CG2 3.65Å; F161-T317 HydrophobicContact CD2-CG2 3.75Å; F161-T317 HydrophobicContact CE1-CG2 3.8Å; F161-T317 HydrophobicContact CE2-CG2 3.91Å; F161-T317 HydrophobicContact CG-CG2 3.63Å; F161-T317 HydrophobicContact CZ-CG2 3.94Å; F161-L321 HydrophobicContact CB-CD1 4.33Å; F161-L321 HydrophobicContact CD1-CD1 3.45Å; F161-L321 VanDerWaalsContact CD1-CD1 3.45Å; F161-L321 HydrophobicContact CE1-CD1 4.14Å; F161-L321 HydrophobicContact CG-CD1 4.21Å; F161-I323 HydrophobicContact CD1-CD1 4.33Å; F161-I323 HydrophobicContact CE1-CD1 4.02Å
162L98.8Very high98.3Very high0 Ų011.4 Ų11.40%06%0.061CC..Hα-helixtrans-58.3-45.8177.817961.6000111.5L111 I114 R115 F158 G159 T164 E165 L166 L321 I323L111-L162 HydrophobicContact CB-CD2 3.97Å; L111-L162 HydrophobicContact CD2-CD2 3.7Å; L111-L162 HydrophobicContact CG-CD2 4.24Å; I114-L162 HydrophobicContact CB-CD2 4.2Å; I114-L162 HydrophobicContact CD1-CD2 4.46Å; I114-L162 HydrophobicContact CG2-CB 4.23Å; I114-L162 HydrophobicContact CG2-CD2 3.91Å; I114-L162 HydrophobicContact CG2-CG 3.85Å; R115-L162 HydrophobicContact CG-CD2 4.39Å; F158-L162 PolarHBondContact O-N 2.78Å; G159-L162 PolarHBondContact O-N 2.8Å; L162-T164 VanDerWaalsContact C-N 3.28Å; L162-T164 PolarHBondContact O-N 3.27Å; L162-E165 PolarHBondContact O-N 2.9Å; L162-L166 HydrophobicContact CD1-CD1 3.91Å; L162-L166 HydrophobicContact CD1-CD2 4.41Å; L162-L166 HydrophobicContact CD1-CG 3.94Å; L162-L166 HydrophobicContact CD2-CD1 4.41Å; L162-L166 HydrophobicContact CG-CD1 3.81Å; L162-L166 HydrophobicContact CG-CG 4.26Å; L162-L166 WeakPolarHBondContact O-CB 3.4Å; L162-L166 VanDerWaalsContact O-CG 3.25Å; L162-L166 WeakPolarHBondContact O-CG 3.27Å; L162-L166 PolarHBondContact O-N 3.36Å; L162-L321 HydrophobicContact CB-CD1 4.13Å; L162-I323 HydrophobicContact CD1-CD1 3.98Å; L162-I323 HydrophobicContact CD1-CG2 3.86Å
163L98.9Very high98.4Very high0 Ų016.8 Ų16.80%09%0.09CC..Hα-helixtrans-56.9-44.9177.8178.365.3000111.4T30 L106 L108 I114 F117 L131 G159 F161 L166 L167T30-L163 HydrophobicContact CG2-CD2 3.83Å; L106-L163 HydrophobicContact CD2-CD2 3.86Å; L108-L163 HydrophobicContact CD2-CD2 4.44Å; I114-L163 HydrophobicContact CG2-CB 3.93Å; I114-L163 HydrophobicContact CG2-CD1 4.3Å; F117-L163 HydrophobicContact CD1-CD1 3.57Å; F117-L163 HydrophobicContact CE1-CD1 3.73Å; L131-L163 HydrophobicContact CD1-CD2 4.18Å; G159-L163 WeakPolarHBondContact O-CB 3.47Å; G159-L163 PolarHBondContact O-N 3.1Å; F161-L163 VanDerWaalsContact C-N 3.33Å; F161-L163 PolarHBondContact O-N 3.1Å; L163-L166 PolarHBondContact O-N 2.86Å; L163-L167 HydrophobicContact CD1-CD1 3.66Å; L163-L167 HydrophobicContact CD1-CG 4.19Å; L163-L167 HydrophobicContact CG-CD1 3.97Å; L163-L167 WeakPolarHBondContact O-CB 3.32Å; L163-L167 VanDerWaalsContact O-CG 3.3Å; L163-L167 WeakPolarHBondContact O-CG 3.32Å; L163-L167 PolarHBondContact O-N 2.67Å; L163-L167 VanDerWaalsContact O-N 3.15Å
164T98.8Very high98.2Very high0 Ų017.1 Ų17.10%09%0.093CC..Hα-helixtrans-61-52.3179-60.30000110.5L131 N133 P160 F161 L162 L166 L167 L168 I179 L224L131-T164 HydrophobicContact CD2-CG2 4.34Å; N133-T164 PolarHBondContact ND2-OG1 3.06Å; N133-T164 VanDerWaalsContact ND2-OG1 3.1Å; P160-T164 VanDerWaalsContact O-CB 3.31Å; P160-T164 WeakPolarHBondContact O-CB 3.28Å; P160-T164 PolarHBondContact O-N 3.23Å; P160-T164 PolarHBondContact O-OG1 2.86Å; F161-T164 WeakPolarHBondContact O-CB 3.49Å; F161-T164 PolarHBondContact O-N 2.97Å; F161-T164 VanDerWaalsContact O-N 3.15Å; L162-T164 VanDerWaalsContact C-N 3.28Å; L162-T164 PolarHBondContact O-N 3.27Å; T164-L166 VanDerWaalsContact C-N 3.33Å; T164-L166 PolarHBondContact O-N 3.21Å; T164-L167 PolarHBondContact O-N 3.28Å; T164-L167 VanDerWaalsContact O-N 3.11Å; T164-L168 HydrophobicContact CG2-CD2 4.41Å; T164-L168 WeakPolarHBondContact O-CG 3.32Å; T164-L168 PolarHBondContact O-N 2.63Å; T164-I179 HydrophobicContact CG2-CD1 3.81Å; T164-I179 HydrophobicContact CG2-CG2 4.06Å; T164-L224 HydrophobicContact CG2-CD2 3.63Å
165E98.2Very high97.5Very high22 Ų2219.8 Ų19.810%0.10312%0.115CC..Hα-helixtrans-56.2-44.8179-71.8-58.8117.600112.3F161 L162 L167 L168 W314 I323 N327F161-E165 HydrophobicContact CD1-CG 4.01Å; F161-E165 HydrophobicContact CE1-CG 3.71Å; F161-E165 HydrophobicContact CZ-CG 4.33Å; F161-E165 PolarHBondContact O-N 2.82Å; L162-E165 PolarHBondContact O-N 2.9Å; E165-L167 VanDerWaalsContact C-N 3.27Å; E165-L167 PolarHBondContact O-N 3.49Å; E165-L168 PolarHBondContact O-N 3.46Å; E165-W314 WeakPolarHBondContact OE1-CH2 3.44Å; E165-I323 HydrophobicContact CB-CD1 4.21Å; E165-I323 HydrophobicContact CG-CD1 4.07Å; E165-N327 PolarHBondContact OE1-ND2 3.01Å; E165-N327 PolarHBondContact OE2-ND2 3.34Å
166L98.4Very high97.3Very high34 Ų3423.7 Ų23.718%0.17814%0.143CC..Hα-helixtrans-67.8-25.4-179.7-67.4174000113.8I114 R115 A118 L162 L163 T164I114-L166 HydrophobicContact CG2-CD1 4.06Å; R115-L166 HydrophobicContact CB-CD1 4.43Å; R115-L166 HydrophobicContact CG-CD1 3.84Å; A118-L166 HydrophobicContact CB-CB 3.68Å; A118-L166 HydrophobicContact CB-CD1 3.91Å; A118-L166 HydrophobicContact CB-CG 4.43Å; L162-L166 HydrophobicContact CD1-CD1 3.91Å; L162-L166 HydrophobicContact CD1-CD2 4.41Å; L162-L166 HydrophobicContact CD1-CG 3.94Å; L162-L166 HydrophobicContact CD2-CD1 4.41Å; L162-L166 HydrophobicContact CG-CD1 3.81Å; L162-L166 HydrophobicContact CG-CG 4.26Å; L162-L166 WeakPolarHBondContact O-CB 3.4Å; L162-L166 VanDerWaalsContact O-CG 3.25Å; L162-L166 WeakPolarHBondContact O-CG 3.27Å; L162-L166 PolarHBondContact O-N 3.36Å; L163-L166 PolarHBondContact O-N 2.86Å; T164-L166 VanDerWaalsContact C-N 3.33Å; T164-L166 PolarHBondContact O-N 3.21Å
167L98.5Very high97.3Very high0 Ų023.6 Ų23.60%014%0.142CC..Hα-helixtrans-97.6-4.2-179.3-66.5178.8000113.6I28 F117 A118 I121 L131 L163 T164 E165 P169 L170 L171I28-L167 HydrophobicContact CD1-CD1 3.6Å; F117-L167 HydrophobicContact CE1-CD1 4.44Å; A118-L167 HydrophobicContact CB-CD2 4.19Å; I121-L167 HydrophobicContact CB-CD2 4.23Å; I121-L167 HydrophobicContact CG2-CD2 4.08Å; L131-L167 HydrophobicContact CD1-CD1 4.27Å; L131-L167 HydrophobicContact CD2-CD1 4.38Å; L163-L167 HydrophobicContact CD1-CD1 3.66Å; L163-L167 HydrophobicContact CD1-CG 4.19Å; L163-L167 HydrophobicContact CG-CD1 3.97Å; L163-L167 WeakPolarHBondContact O-CB 3.32Å; L163-L167 VanDerWaalsContact O-CG 3.3Å; L163-L167 WeakPolarHBondContact O-CG 3.32Å; L163-L167 PolarHBondContact O-N 2.67Å; L163-L167 VanDerWaalsContact O-N 3.15Å; T164-L167 PolarHBondContact O-N 3.28Å; T164-L167 VanDerWaalsContact O-N 3.11Å; E165-L167 VanDerWaalsContact C-N 3.27Å; E165-L167 PolarHBondContact O-N 3.49Å; L167-P169 VanDerWaalsContact C-CD 3.41Å; L167-P169 VanDerWaalsContact C-N 3.3Å; L167-L170 HydrophobicContact CD2-CD1 4.2Å; L167-L170 PolarHBondContact O-N 3.19Å; L167-L171 HydrophobicContact CB-CD1 4.17Å; L167-L171 PolarHBondContact O-N 3.46Å
168L97.8Very high97.3Very high4 Ų424.8 Ų24.82%0.02115%0.147CC..Hα-helixtrans-50.9-40.6178.9-75.8-178.7000114.1T164 E165 L170 L171 K172 I179 L228 N327T164-L168 HydrophobicContact CG2-CD2 4.41Å; T164-L168 WeakPolarHBondContact O-CG 3.32Å; T164-L168 PolarHBondContact O-N 2.63Å; E165-L168 PolarHBondContact O-N 3.46Å; L168-L170 VanDerWaalsContact C-N 3.32Å; L168-L170 PolarHBondContact O-N 2.98Å; L168-L171 HydrophobicContact CD2-CD1 4.29Å; L168-L171 PolarHBondContact O-N 3.1Å; L168-K172 WeakPolarHBondContact O-CB 3.47Å; L168-K172 VanDerWaalsContact O-CG 3.31Å; L168-K172 WeakPolarHBondContact O-CG 3.25Å; L168-K172 PolarHBondContact O-N 3.28Å; L168-I179 HydrophobicContact CD2-CD1 4.14Å; L168-L228 HydrophobicContact CD1-CD2 4.36Å; L168-L228 HydrophobicContact CD2-CD1 3.77Å; L168-L228 HydrophobicContact CD2-CD2 4.02Å; L168-L228 HydrophobicContact CD2-CG 4.5Å; L168-N327 WeakPolarHBondContact CD1-ND2 3.08Å; L168-N327 WeakPolarHBondContact CD1-OD1 3.41Å
169P96.4Very high97.3Very high73 Ų7324.8 Ų24.847%0.47415%0.147SC..Hα-helixtrans-57.2-43.4176.1-27.136.4000113.1L167 K172 N173L167-P169 VanDerWaalsContact C-CD 3.41Å; L167-P169 VanDerWaalsContact C-N 3.3Å; P169-K172 PolarHBondContact O-N 3.33Å; P169-N173 PolarHBondContact O-N 3.18Å; P169-N173 PolarHBondContact O-OD1 2.95Å
170L98.6Very high97.3Very high11 Ų1124.8 Ų24.86%0.05815%0.147CC..Hα-helixtrans-72.3-35.6179.1-56.2-173.8000112.2I121 K122 Y125 K127 I128 L167 L168 N173 A174I121-L170 HydrophobicContact CG2-CD1 3.73Å; K122-L170 HydrophobicContact CG-CD1 3.92Å; K122-L170 HydrophobicContact CG-CD2 4.36Å; K122-L170 HydrophobicContact CG-CG 4.09Å; Y125-L170 VanDerWaalsContact O-CD2 3.3Å; Y125-L170 WeakPolarHBondContact O-CD2 3.39Å; K127-L170 WeakPolarHBondContact CA-O 3.47Å; I128-L170 HydrophobicContact CB-CB 4.27Å; I128-L170 HydrophobicContact CG1-CB 3.93Å; I128-L170 HydrophobicContact CG1-CD1 3.92Å; I128-L170 PolarHBondContact N-O 3.15Å; L167-L170 HydrophobicContact CD2-CD1 4.2Å; L167-L170 PolarHBondContact O-N 3.19Å; L168-L170 VanDerWaalsContact C-N 3.32Å; L168-L170 PolarHBondContact O-N 2.98Å; L170-N173 PolarHBondContact O-N 3.41Å; L170-A174 PolarHBondContact O-N 3.47Å
171L98.6Very high97.3Very high0 Ų024.6 Ų24.60%015%0.146CC..Hα-helixtrans-65.2-43175.5-71.6157.7000110.7I128 L131 L167 L168 A174 S177 I179 V233I128-L171 HydrophobicContact CB-CD2 4.35Å; I128-L171 HydrophobicContact CG2-CD2 4.06Å; L131-L171 HydrophobicContact CB-CD1 4.44Å; L131-L171 HydrophobicContact CB-CD2 4.04Å; L131-L171 HydrophobicContact CD2-CD1 4.16Å; L167-L171 HydrophobicContact CB-CD1 4.17Å; L167-L171 PolarHBondContact O-N 3.46Å; L168-L171 HydrophobicContact CD2-CD1 4.29Å; L168-L171 PolarHBondContact O-N 3.1Å; L171-A174 PolarHBondContact O-N 2.88Å; L171-S177 VanDerWaalsContact O-CB 3.27Å; L171-S177 WeakPolarHBondContact O-CB 3.39Å; L171-S177 PolarHBondContact O-OG 2.9Å; L171-I179 HydrophobicContact CD1-CD1 3.88Å; L171-I179 HydrophobicContact CD1-CG1 3.89Å; L171-I179 HydrophobicContact CD2-CG1 4.17Å; L171-V233 HydrophobicContact CB-CG1 4.33Å; L171-V233 HydrophobicContact CB-CG2 4.4Å
172K97.6Very high97.2Very high72 Ų7225 Ų2531%0.31315%0.148SC..Hα-helixtrans-63.3-40175.2-71.6177.2179.3-177.90111.6L168 P169 A174 A175 C231 V233L168-K172 WeakPolarHBondContact O-CB 3.47Å; L168-K172 VanDerWaalsContact O-CG 3.31Å; L168-K172 WeakPolarHBondContact O-CG 3.25Å; L168-K172 PolarHBondContact O-N 3.28Å; P169-K172 PolarHBondContact O-N 3.33Å; K172-A174 PolarHBondContact O-N 3.49Å; K172-A175 WeakPolarHBondContact O-CB 3.47Å; K172-A175 PolarHBondContact O-N 2.97Å; K172-C231 HydrophobicContact CG-CB 4.34Å; K172-V233 HydrophobicContact CB-CG2 4.45Å; K172-V233 HydrophobicContact CG-CG2 3.87Å
173N97.5Very high97.1Very high113 Ų11325 Ų2560%0.60415%0.149SC*.Hα-helixtrans-63.8-25.5176-71.3-9.5000114.1N126 K127 P169 L170N126-N173 VanDerWaalsContact O-CB 3.23Å; N126-N173 WeakPolarHBondContact O-CB 3.49Å; N126-N173 PolarHBondContact O-ND2 2.95Å; K127-N173 HydrophobicContact CB-CB 4.24Å; P169-N173 PolarHBondContact O-N 3.18Å; P169-N173 PolarHBondContact O-OD1 2.95Å; L170-N173 PolarHBondContact O-N 3.41Å
174A95.5Very high96.7Very high7 Ų726 Ų266%0.05816%0.155CC..THydrogen-bonded Turntrans-89.11.9179.500000114.2K127 I128 L170 L171 K172 S176K127-A174 HydrophobicContact CB-CB 3.89Å; K127-A174 HydrophobicContact CD-CB 4.47Å; K127-A174 HydrophobicContact CG-CB 4.39Å; I128-A174 VanDerWaalsContact C-CB 3.44Å; I128-A174 WeakPolarHBondContact O-CB 3.47Å; L170-A174 PolarHBondContact O-N 3.47Å; L171-A174 PolarHBondContact O-N 2.88Å; K172-A174 PolarHBondContact O-N 3.49Å; A174-S176 CarbonylContact O-C 3.57Å; A174-S176 PolarHBondContact O-N 2.75Å
175A84.1Confident96.3Very high59 Ų5931 Ų3149%0.48818%0.18SC..SBendtrans-44.7124.2-172.100000112.3K172K172-A175 WeakPolarHBondContact O-CB 3.47Å; K172-A175 PolarHBondContact O-N 2.97Å
176S92.8Very high95.9Very high95 Ų9532.2 Ų32.266%0.66419%0.186SC*.SBendcis-82.6116.46-48.80000114.5A174 G232A174-S176 CarbonylContact O-C 3.57Å; A174-S176 PolarHBondContact O-N 2.75Å; S176-G232 VanDerWaalsContact CA-O 3.28Å; S176-G232 WeakPolarHBondContact CA-O 3.45Å
177S98.3Very high95.7Very high0 Ų030.6 Ų30.60%018%0.178CC..EExtended strand (participates in β ladder)trans-113.2165.6176.567.90000112.1D129 L171 G232 V233 V234D129-S177 CarbonylContact O-C 3.57Å; D129-S177 VanDerWaalsContact O-CA 3.22Å; D129-S177 WeakPolarHBondContact O-CA 3.32Å; D129-S177 WeakPolarHBondContact O-CB 3.47Å; L171-S177 VanDerWaalsContact O-CB 3.27Å; L171-S177 WeakPolarHBondContact O-CB 3.39Å; L171-S177 PolarHBondContact O-OG 2.9Å; S177-G232 PolarHBondContact N-O 2.99Å; S177-V233 WeakPolarHBondContact OG-CG2 3.42Å; S177-V234 PolarHBondContact O-N 2.9Å
178R98.6Very high95.4Very high27 Ų2735.5 Ų35.510%0.10220%0.201CC..EExtended strand (participates in β ladder)trans-135.3138.1-173.6-53.8178.9-173.3-158.3-2.5112.9D129 F130 L131 I180 V234 T280 A281 T283 L286D129-R178 PolarHBondContact O-N 3.1Å; F130-R178 CarbonylContact C-O 3.55Å; F130-R178 WeakPolarHBondContact CA-O 3.36Å; F130-R178 HydrophobicContact CD1-CB 4.03Å; F130-R178 HydrophobicContact CD1-CG 4.3Å; F130-R178 HydrophobicContact CE1-CB 4.49Å; F130-R178 HydrophobicContact CE1-CG 4.27Å; L131-R178 PolarHBondContact N-O 3.49Å; R178-I180 HydrophobicContact CB-CD1 4.45Å; R178-V234 CarbonylContact C-O 3.52Å; R178-V234 VanDerWaalsContact CA-O 3.29Å; R178-V234 WeakPolarHBondContact CA-O 3.5Å; R178-T280 WeakPolarHBondContact CD-O 3.41Å; R178-T280 PolarHBondContact NH1-O 3.07Å; R178-A281 VanDerWaalsContact CZ-O 3.31Å; R178-A281 PolarHBondContact NH1-O 2.72Å; R178-T283 PolarHBondContact NH1-O 3.48Å; R178-T283 PolarHBondContact NH2-O 3Å; R178-L286 HydrophobicContact CG-CD2 4.18Å
179I98.9Very high95.2Very high0 Ų042.8 Ų42.80%023%0.228CC..EExtended strand (participates in β ladder)trans-114.4118173.7-55.7164.4000107.2L131 T164 L168 L171 L224 L228 V233 V234 A235 V236L131-I179 HydrophobicContact CD2-CG2 4.46Å; L131-I179 WeakPolarHBondContact O-CA 3.48Å; T164-I179 HydrophobicContact CG2-CD1 3.81Å; T164-I179 HydrophobicContact CG2-CG2 4.06Å; L168-I179 HydrophobicContact CD2-CD1 4.14Å; L171-I179 HydrophobicContact CD1-CD1 3.88Å; L171-I179 HydrophobicContact CD1-CG1 3.89Å; L171-I179 HydrophobicContact CD2-CG1 4.17Å; I179-L224 HydrophobicContact CD1-CD2 3.6Å; I179-L224 HydrophobicContact CG2-CD2 4.25Å; I179-L228 HydrophobicContact CD1-CD1 3.94Å; I179-V233 HydrophobicContact CD1-CG1 3.63Å; I179-V233 HydrophobicContact CG1-CG1 4.01Å; I179-V234 PolarHBondContact N-O 3.41Å; I179-A235 HydrophobicContact CB-CB 4.07Å; I179-A235 CarbonylContact O-C 3.43Å; I179-A235 VanDerWaalsContact O-CA 3.31Å; I179-A235 WeakPolarHBondContact O-CA 3.34Å; I179-V236 PolarHBondContact O-N 2.92Å
180I98.9Very high95.1Very high0 Ų039.3 Ų39.30%021%0.206CC..EExtended strand (participates in β ladder)trans-119.9110-173.5-64.6162.4000108.8L131 I132 N133 R178 V236 L238 T277 A281L131-I180 PolarHBondContact O-N 3.42Å; I132-I180 HydrophobicContact CD1-CB 3.85Å; I132-I180 HydrophobicContact CD1-CD1 3.45Å; I132-I180 VanDerWaalsContact CD1-CD1 3.45Å; I132-I180 HydrophobicContact CD1-CG1 4.1Å; N133-I180 PolarHBondContact N-O 3.35Å; R178-I180 HydrophobicContact CB-CD1 4.45Å; I180-V236 HydrophobicContact CG1-CG2 3.88Å; I180-L238 HydrophobicContact CG2-CD2 3.51Å; I180-L238 HydrophobicContact CG2-CG 4.44Å; I180-T277 HydrophobicContact CG2-CG2 4.09Å; I180-A281 HydrophobicContact CD1-CB 3.83Å
181N98.9Very high95Very high0 Ų043.7 Ų43.70%022%0.221CC..EExtended strand (participates in β ladder)trans-94.5117.9178.2-63.2-21.8000110.8N133 S183 N217 H220 V236 S237 L238N133-N181 PolarHBondContact ND2-OD1 3.27Å; N181-S183 PolarHBondContact O-N 3.47Å; N181-S183 VanDerWaalsContact O-N 3.13Å; N181-N217 HydrophobicContact CB-CB 4.11Å; N181-N217 PolarHBondContact ND2-O 3.31Å; N181-H220 PolarHBondContact ND2-ND1 3.01Å; N181-V236 PolarHBondContact N-O 2.79Å; N181-S237 VanDerWaalsContact O-CA 3.27Å; N181-S237 WeakPolarHBondContact O-CA 3.34Å; N181-L238 PolarHBondContact O-N 2.97Å; N181-L238 VanDerWaalsContact O-N 3.1Å
182V97.8Very high94.9Very high7 Ų745.1 Ų45.14%0.04223%0.228CC..EExtended strand (participates in β ladder)trans-80.698.8178.1-176.80000110.2N133 N134 K214 N217 L238 P240N133-V182 PolarHBondContact O-N 3.46Å; N134-V182 HydrophobicContact CB-CG2 3.98Å; V182-K214 PolarHBondContact O-NZ 3.49Å; V182-N217 PolarHBondContact O-OD1 2.76Å; V182-L238 HydrophobicContact CG1-CD1 4.31Å; V182-L238 HydrophobicContact CG2-CD1 4.47Å; V182-P240 HydrophobicContact CG1-CB 4.43Å; V182-P240 HydrophobicContact CG1-CG 3.95Å
183S96.6Very high94.8Very high2 Ų243.4 Ų43.41%0.01422%0.222CC..  trans-88.9-152.7174.2-1730000111N181 K214 V218 L238 P240N181-S183 PolarHBondContact O-N 3.47Å; N181-S183 VanDerWaalsContact O-N 3.13Å; S183-K214 PolarHBondContact OG-O 3.32Å; S183-V218 WeakPolarHBondContact OG-CG2 2.84Å; S183-L238 CarbonylContact C-O 3.24Å; S183-L238 VanDerWaalsContact C-O 3.24Å; S183-L238 WeakPolarHBondContact CA-O 3.49Å; S183-L238 WeakPolarHBondContact CB-O 3.41Å; S183-L238 PolarHBondContact N-O 2.97Å; S183-P240 WeakPolarHBondContact O-CD 3.38Å
184S90.2Very high94.7Very high19 Ų1944 Ų4413%0.13322%0.219CC..  trans-161157175.8172.40000110.2I186 H187S184-I186 PolarHBondContact O-N 3.32Å; S184-I186 VanDerWaalsContact O-N 3.08Å; S184-I186 WeakPolarHBondContact OG-CG2 3.48Å; S184-I186 PolarHBondContact OG-N 3Å; S184-H187 VanDerWaalsContact O-CB 3.23Å; S184-H187 WeakPolarHBondContact O-CB 3.31Å; S184-H187 PolarHBondContact O-N 2.95Å; S184-H187 PolarHBondContact O-ND1 3.04Å
185M89.8Confident94.7Very high106 Ų10647.1 Ų47.152%0.52224%0.239SC..G310 helixtrans-55.4-26.5171.2-168.2172.373.100112.5H187 E188 H239M185-H187 PolarHBondContact O-N 3.38Å; M185-H187 VanDerWaalsContact O-N 3.12Å; M185-E188 PolarHBondContact O-N 2.94Å; M185-H239 PolarHBondContact N-ND1 2.84Å
186I90.4Very high95.1Very high47 Ų4747.7 Ų47.724%0.24123%0.234CC..G310 helixtrans-64.7-14.7176.5-154.769.9000113.4S184 E188 R189 Y210 S211 K214S184-I186 PolarHBondContact O-N 3.32Å; S184-I186 VanDerWaalsContact O-N 3.08Å; S184-I186 WeakPolarHBondContact OG-CG2 3.48Å; S184-I186 PolarHBondContact OG-N 3Å; I186-E188 PolarHBondContact O-N 3.37Å; I186-E188 VanDerWaalsContact O-N 3.12Å; I186-R189 HydrophobicContact CD1-CG 4.39Å; I186-R189 WeakPolarHBondContact O-CB 3.41Å; I186-R189 PolarHBondContact O-N 3.15Å; I186-Y210 HydrophobicContact CG2-CD1 3.83Å; I186-Y210 HydrophobicContact CG2-CE1 3.75Å; I186-S211 VanDerWaalsContact O-CB 3.29Å; I186-S211 WeakPolarHBondContact O-CB 3.37Å; I186-K214 HydrophobicContact CG2-CB 4.39Å; I186-K214 HydrophobicContact CG2-CG 4.33Å
187H94.4Very high95.4Very high0 Ų043.1 Ų43.10%020%0.202CC..G310 helixtrans-57.4-25.7175.385.8-82.4000112.8S184 M185 R189 G190 K214 L215 V218 Y291 S301S184-H187 VanDerWaalsContact O-CB 3.23Å; S184-H187 WeakPolarHBondContact O-CB 3.31Å; S184-H187 PolarHBondContact O-N 2.95Å; S184-H187 PolarHBondContact O-ND1 3.04Å; M185-H187 PolarHBondContact O-N 3.38Å; M185-H187 VanDerWaalsContact O-N 3.12Å; H187-R189 PolarHBondContact O-N 2.87Å; H187-G190 PolarHBondContact O-N 2.89Å; H187-K214 VanDerWaalsContact CB-C 3.49Å; H187-K214 HydrophobicContact CB-CB 3.97Å; H187-L215 HydrophobicContact CB-CB 4.34Å; H187-V218 HydrophobicContact CB-CG2 4.4Å; H187-Y291 AromaticContact CE1-CE1 3.68Å; H187-Y291 AromaticContact CE1-CE2 3.99Å; H187-Y291 AromaticContact CE1-CZ 3.45Å; H187-Y291 VanDerWaalsContact CE1-CZ 3.45Å; H187-Y291 PolarHBondContact CE1-OH 3.06Å; H187-Y291 AromaticContact ND1-CZ 3.8Å; H187-Y291 PolarHBondContact ND1-OH 3.02Å; H187-S301 PolarHBondContact NE2-N 3.22Å
188E92.6Very high95.4Very high103 Ų10344.5 Ų44.548%0.48121%0.209SC..G310 helixtrans-62.5-26.1175.2-65.5-179.1-162.800112.7M185 I186M185-E188 PolarHBondContact O-N 2.94Å; I186-E188 PolarHBondContact O-N 3.37Å; I186-E188 VanDerWaalsContact O-N 3.12Å
189R91.9Very high95.3Very high158 Ų15844.8 Ų44.860%0.59621%0.21SC*.G310 helixtrans-87.1-13.7174.7-63.6-173.567.3177.1-1.7113.5I186 H187 R191I186-R189 HydrophobicContact CD1-CG 4.39Å; I186-R189 WeakPolarHBondContact O-CB 3.41Å; I186-R189 PolarHBondContact O-N 3.15Å; H187-R189 PolarHBondContact O-N 2.87Å; R189-R191 PolarHBondContact O-NH1 2.69Å
190G95Very high95.2Very high0 Ų048.7 Ų48.70%023%0.231CC..  trans-62.9160.9178.500000112.7H187 S211H187-G190 PolarHBondContact O-N 2.89Å; G190-S211 WeakPolarHBondContact CA-O 2.97Å
191R96.3Very high95.1Very high102 Ų10255.5 Ų55.539%0.38526%0.263SS..  trans-134.8149.7177.6-64.2-65.4-179.3-88.8-3.8110R189 I193 T212 Y303R189-R191 PolarHBondContact O-NH1 2.69Å; R191-I193 HydrophobicContact CB-CD1 3.83Å; R191-I193 PolarHBondContact O-N 2.88Å; R191-T212 PolarHBondContact N-OG1 2.84Å; R191-T212 WeakPolarHBondContact O-CG2 3.48Å; R191-T212 PolarHBondContact O-OG1 3.39Å; R191-Y303 PolarHBondContact NE-OH 2.85Å
192I96.9Very high95Very high30 Ų3065 Ų6515%0.15430%0.304CS..  trans-78.7111.3167.6-64.5174000107K194 L215 I219 D309 W312 F313I192-K194 HydrophobicContact CG2-CG 4.35Å; I192-L215 HydrophobicContact CG1-CD2 4.48Å; I192-I219 HydrophobicContact CD1-CD1 3.91Å; I192-I219 HydrophobicContact CG1-CD1 3.93Å; I192-D309 HydrophobicContact CD1-CB 3.8Å; I192-W312 HydrophobicContact CG2-CE3 4.22Å; I192-W312 HydrophobicContact CG2-CZ3 3.72Å; I192-F313 HydrophobicContact CG1-CD2 4.23Å; I192-F313 HydrophobicContact CG2-CD2 4.06Å
193I96.6Very high94.9Very high36 Ų3668.4 Ų68.419%0.18533%0.325CS..  trans-89.7125.8179.4-49.8-55.7000108.4R191 L197 Q198 Y199 T212R191-I193 HydrophobicContact CB-CD1 3.83Å; R191-I193 PolarHBondContact O-N 2.88Å; I193-L197 WeakPolarHBondContact O-CA 3.31Å; I193-L197 PolarHBondContact O-N 2.89Å; I193-Q198 WeakPolarHBondContact CG2-O 3.39Å; I193-Y199 HydrophobicContact CD1-CE1 3.93Å; I193-Y199 HydrophobicContact CD1-CE2 4.15Å; I193-Y199 WeakPolarHBondContact CD1-OH 3.2Å; I193-Y199 HydrophobicContact CG1-CD2 4.49Å; I193-Y199 HydrophobicContact CG1-CE1 4.38Å; I193-Y199 HydrophobicContact CG1-CE2 4.04Å; I193-T212 HydrophobicContact CG1-CG2 4.19Å
194K95Very high94.9Very high125 Ų12570 Ų7054%0.54333%0.331SS..THydrogen-bonded Turntrans-110.3146.1178.5-58-162.1175.1179.70109.9I192 W312I192-K194 HydrophobicContact CG2-CG 4.35Å; K194-W312 HydrophobicContact CB-CH2 4.03Å; K194-W312 HydrophobicContact CB-CZ2 4.46Å; K194-W312 HydrophobicContact CD-CH2 3.87Å; K194-W312 HydrophobicContact CD-CZ2 4Å; K194-W312 HydrophobicContact CD-CZ3 4.1Å; K194-W312 HydrophobicContact CG-CH2 3.5Å; K194-W312 VanDerWaalsContact CG-CH2 3.5Å; K194-W312 HydrophobicContact CG-CZ2 4.08Å; K194-W312 HydrophobicContact CG-CZ3 3.8Å
195P94Very high95.1Very high73 Ų7372 Ų7247%0.47434%0.341SS..THydrogen-bonded Turncis-84.1-16.8-2.131.8-30.2000113.8K316P195-K316 WeakPolarHBondContact O-CE 3.34Å; P195-K316 WeakPolarHBondContact O-CG 3.22Å
196D94.2Very high95.1Very high71 Ų7167.1 Ų67.138%0.3832%0.317SS..THydrogen-bonded Turntrans-96.23.7-159.6-54.8-51000115.8Q198 L320D196-Q198 HydrophobicContact CB-CG 4.27Å; D196-Q198 WeakPolarHBondContact O-CG 3.46Å; D196-Q198 PolarHBondContact O-N 3.1Å; D196-L320 WeakPolarHBondContact O-CD1 3.12Å
197L97.9Very high95.1Very high0 Ų067.2 Ų67.20%032%0.318CS..SBendtrans66-1.1-178.8-46.7-176.7000115.6M153 F158 I193 W312 F313 K316 T317 L320M153-L197 WeakPolarHBondContact CE-O 3.38Å; F158-L197 HydrophobicContact CE1-CD1 4.38Å; F158-L197 HydrophobicContact CZ-CB 4.16Å; I193-L197 WeakPolarHBondContact O-CA 3.31Å; I193-L197 PolarHBondContact O-N 2.89Å; L197-W312 HydrophobicContact CD2-CE3 4.31Å; L197-W312 HydrophobicContact CD2-CH2 3.64Å; L197-W312 HydrophobicContact CD2-CZ3 3.3Å; L197-F313 HydrophobicContact CB-CE2 4.16Å; L197-F313 HydrophobicContact CD1-CD1 4.48Å; L197-F313 HydrophobicContact CD1-CD2 4.12Å; L197-F313 HydrophobicContact CD1-CE1 4.41Å; L197-F313 HydrophobicContact CD1-CE2 4Å; L197-F313 HydrophobicContact CD1-CG 4.33Å; L197-F313 HydrophobicContact CD1-CZ 4.12Å; L197-F313 HydrophobicContact CD2-CD2 3.53Å; L197-F313 HydrophobicContact CD2-CE2 3.67Å; L197-F313 HydrophobicContact CD2-CG 4.32Å; L197-F313 HydrophobicContact CG-CD2 4.36Å; L197-F313 HydrophobicContact CG-CE2 4.16Å; L197-K316 HydrophobicContact CD1-CB 4.22Å; L197-K316 HydrophobicContact CD1-CG 4.21Å; L197-K316 HydrophobicContact CD2-CG 4.31Å; L197-K316 HydrophobicContact CG-CB 4.49Å; L197-K316 HydrophobicContact CG-CG 4.08Å; L197-T317 VanDerWaalsContact CD1-OG1 3.24Å; L197-T317 WeakPolarHBondContact CD1-OG1 3.32Å; L197-L320 HydrophobicContact CD1-CD1 4.18Å; L197-L320 HydrophobicContact CG-CD1 4.18Å
198Q98.2Very high95.1Very high29 Ų2970 Ų7014%0.13633%0.333CS..SBendtrans-139162.8-174.964.8-166.9-27.100111.5E150 M153 F158 I193 D196E150-Q198 HydrophobicContact CB-CB 4.2Å; E150-Q198 HydrophobicContact CB-CG 4.46Å; M153-Q198 HydrophobicContact CB-CB 4.11Å; M153-Q198 HydrophobicContact CG-CB 3.82Å; F158-Q198 HydrophobicContact CE2-CB 4.45Å; I193-Q198 WeakPolarHBondContact CG2-O 3.39Å; D196-Q198 HydrophobicContact CB-CG 4.27Å; D196-Q198 WeakPolarHBondContact O-CG 3.46Å; D196-Q198 PolarHBondContact O-N 3.1Å
199Y97.4Very high95.2Very high33 Ų3365.1 Ų65.113%0.12931%0.31CS..  trans-83.3146.7175.4-68.3-85000110.9I193 N208 A209I193-Y199 HydrophobicContact CD1-CE1 3.93Å; I193-Y199 HydrophobicContact CD1-CE2 4.15Å; I193-Y199 WeakPolarHBondContact CD1-OH 3.2Å; I193-Y199 HydrophobicContact CG1-CD2 4.49Å; I193-Y199 HydrophobicContact CG1-CE1 4.38Å; I193-Y199 HydrophobicContact CG1-CE2 4.04Å; Y199-N208 HydrophobicContact CE2-CB 3.87Å; Y199-A209 HydrophobicContact CD2-CB 4.15Å
200D96.7Very high95.3Very high81 Ų8159.6 Ų59.643%0.43329%0.289SS..  trans-84.2172.5169.16919.3000111.4K202 T203 Y204D200-K202 PolarHBondContact O-N 3.04Å; D200-K202 VanDerWaalsContact O-N 3.16Å; D200-K202 PolarHBondContact OD1-N 3.36Å; D200-T203 PolarHBondContact N-OG1 2.98Å; D200-T203 PolarHBondContact O-N 3.13Å; D200-T203 WeakPolarHBondContact OD1-CB 3.43Å; D200-T203 PolarHBondContact OD1-N 3.38Å; D200-T203 PolarHBondContact OD1-OG1 3.46Å; D200-Y204 WeakPolarHBondContact O-CB 3.41Å; D200-Y204 PolarHBondContact O-N 2.94Å
201Q97.2Very high95.2Very high144 Ų14459.7 Ų59.767%0.67329%0.29SS*.THydrogen-bonded Turntrans-57.5-31.2179.7-172.3176.612.200113.7Y142Y142-Q201 HydrophobicContact CD1-CB 3.67Å; Y142-Q201 HydrophobicContact CD1-CG 3.66Å; Y142-Q201 HydrophobicContact CD2-CB 4.34Å; Y142-Q201 HydrophobicContact CE1-CB 3.73Å; Y142-Q201 HydrophobicContact CE1-CG 4.19Å; Y142-Q201 HydrophobicContact CE2-CB 4.38Å; Y142-Q201 HydrophobicContact CG-CB 3.98Å; Y142-Q201 HydrophobicContact CG-CG 4Å
202K96.1Very high95.3Very high198 Ų19855 Ų5586%0.86127%0.272SS*.THydrogen-bonded Turntrans-78.6-31.3-175.5-66.6179.5-179.8175.80112.3D200D200-K202 PolarHBondContact O-N 3.04Å; D200-K202 VanDerWaalsContact O-N 3.16Å; D200-K202 PolarHBondContact OD1-N 3.36Å
203T95.4Very high95.4Very high80 Ų8053.5 Ų53.549%0.49127%0.265SS..THydrogen-bonded Turntrans-106.9-1.6-174.358.10000113.3D200 D205D200-T203 PolarHBondContact N-OG1 2.98Å; D200-T203 PolarHBondContact O-N 3.13Å; D200-T203 WeakPolarHBondContact OD1-CB 3.43Å; D200-T203 PolarHBondContact OD1-N 3.38Å; D200-T203 PolarHBondContact OD1-OG1 3.46Å; T203-D205 PolarHBondContact O-N 3.46Å
204Y96.8Very high95.4Very high34 Ų3452.1 Ų52.113%0.13326%0.258CS..  trans-58.5129.2-178.1-175-100.2000112.8L139 Y142 E150 T152 D200 A206 A209L139-Y204 PolarHBondContact O-OH 2.84Å; Y142-Y204 AromaticContact CD2-CD2 3.73Å; Y142-Y204 HydrophobicContact CD2-CD2 3.73Å; Y142-Y204 HydrophobicContact CD2-CE2 4.49Å; Y142-Y204 AromaticContact CD2-CG 3.79Å; Y142-Y204 HydrophobicContact CD2-CG 3.79Å; Y142-Y204 HydrophobicContact CG-CG 4.36Å; E150-Y204 HydrophobicContact CG-CD2 3.89Å; E150-Y204 HydrophobicContact CG-CE2 3.78Å; E150-Y204 VanDerWaalsContact OE1-CE2 3.22Å; E150-Y204 WeakPolarHBondContact OE1-CE2 3.48Å; T152-Y204 PolarHBondContact OG1-OH 3.46Å; D200-Y204 WeakPolarHBondContact O-CB 3.41Å; D200-Y204 PolarHBondContact O-N 2.94Å; Y204-A206 HydrophobicContact CE1-CB 4.34Å; Y204-A209 HydrophobicContact CD2-CB 4.05Å; Y204-A209 HydrophobicContact CE2-CB 3.4Å; Y204-A209 VanDerWaalsContact CE2-CB 3.4Å
205D93.8Very high95.6Very high63 Ų6346.3 Ų46.334%0.33723%0.232SC..  trans-136132.3164.2166.4-94.3000108.2T203 L207 N208 A209T203-D205 PolarHBondContact O-N 3.46Å; D205-L207 VanDerWaalsContact C-N 3.34Å; D205-L207 PolarHBondContact O-N 3.38Å; D205-L207 PolarHBondContact OD1-N 3.33Å; D205-L207 VanDerWaalsContact OD1-N 3.12Å; D205-N208 HydrophobicContact CB-CB 3.98Å; D205-N208 PolarHBondContact O-N 3.03Å; D205-N208 WeakPolarHBondContact OD1-CB 3.45Å; D205-N208 VanDerWaalsContact OD1-CG 3.25Å; D205-N208 PolarHBondContact OD1-N 3Å; D205-N208 PolarHBondContact OD1-ND2 3.28Å; D205-A209 WeakPolarHBondContact O-CB 3.26Å; D205-A209 PolarHBondContact O-N 3.18Å
206A91.3Very high95.8Very high2 Ų242.9 Ų42.92%0.01721%0.21CC..Hα-helixtrans-58.5-42.8-172.400000112.6I138 L139 Y204 Y210 M251I138-A206 HydrophobicContact CD1-CB 4.12Å; I138-A206 WeakPolarHBondContact CD1-O 3.41Å; I138-A206 HydrophobicContact CG1-CB 4.08Å; L139-A206 WeakPolarHBondContact O-CB 3.2Å; Y204-A206 HydrophobicContact CE1-CB 4.34Å; A206-Y210 WeakPolarHBondContact O-CB 3.34Å; A206-Y210 PolarHBondContact O-N 3.32Å; A206-M251 HydrophobicContact CB-CE 4.38Å
207L89Confident96Very high50 Ų5039.7 Ų39.726%0.26219%0.193SC..Hα-helixtrans-72.9-36.4179.8-72.7-172.2000112I138 D205 S211 M251 F254I138-L207 HydrophobicContact CD1-CD2 3.91Å; D205-L207 VanDerWaalsContact C-N 3.34Å; D205-L207 PolarHBondContact O-N 3.38Å; D205-L207 PolarHBondContact OD1-N 3.33Å; D205-L207 VanDerWaalsContact OD1-N 3.12Å; L207-S211 VanDerWaalsContact O-CB 3.22Å; L207-S211 WeakPolarHBondContact O-CB 3.14Å; L207-S211 PolarHBondContact O-N 3.13Å; L207-S211 PolarHBondContact O-OG 3.49Å; L207-M251 HydrophobicContact CD2-CE 4.28Å; L207-F254 HydrophobicContact CD1-CE1 3.9Å; L207-F254 HydrophobicContact CD1-CE2 4.31Å; L207-F254 HydrophobicContact CD1-CZ 3.36Å; L207-F254 HydrophobicContact CD2-CZ 4.5Å; L207-F254 HydrophobicContact CG-CE2 4.22Å; L207-F254 HydrophobicContact CG-CZ 3.74Å
208N94.5Very high96.1Very high59 Ų5939.7 Ų39.732%0.31619%0.193SC..Hα-helixtrans-66.8-45.5176-71.7-24000111.5Y199 D205 S211 T212Y199-N208 HydrophobicContact CE2-CB 3.87Å; D205-N208 HydrophobicContact CB-CB 3.98Å; D205-N208 PolarHBondContact O-N 3.03Å; D205-N208 WeakPolarHBondContact OD1-CB 3.45Å; D205-N208 VanDerWaalsContact OD1-CG 3.25Å; D205-N208 PolarHBondContact OD1-N 3Å; D205-N208 PolarHBondContact OD1-ND2 3.28Å; N208-S211 WeakPolarHBondContact CA-OG 3.34Å; N208-S211 PolarHBondContact O-OG 3.42Å; N208-T212 VanDerWaalsContact O-CB 3.23Å; N208-T212 WeakPolarHBondContact O-CB 3.21Å; N208-T212 PolarHBondContact O-N 3.25Å; N208-T212 PolarHBondContact O-OG1 3.35Å
209A95.6Very high96.1Very high0 Ų038.4 Ų38.40%019%0.187CC..Hα-helixtrans-62.3-46.917500000111.1Y199 Y204 D205 S211 T212 S213Y199-A209 HydrophobicContact CD2-CB 4.15Å; Y204-A209 HydrophobicContact CD2-CB 4.05Å; Y204-A209 HydrophobicContact CE2-CB 3.4Å; Y204-A209 VanDerWaalsContact CE2-CB 3.4Å; D205-A209 WeakPolarHBondContact O-CB 3.26Å; D205-A209 PolarHBondContact O-N 3.18Å; A209-S211 PolarHBondContact O-N 2.95Å; A209-T212 PolarHBondContact O-N 3.14Å; A209-S213 PolarHBondContact O-N 2.95Å
210Y93.9Very high96.2Very high41 Ų4137 Ų3716%0.16118%0.181CC..Hα-helixtrans-61.1-49.4177.2-176.9-114.4000112.4L137 I138 T152 I186 A206 T212 S213 K214L137-Y210 WeakPolarHBondContact O-CD2 3.13Å; I138-Y210 HydrophobicContact CB-CD2 3.92Å; I138-Y210 HydrophobicContact CB-CG 4.15Å; I138-Y210 HydrophobicContact CD1-CD1 4.32Å; I138-Y210 HydrophobicContact CD1-CG 3.97Å; I138-Y210 HydrophobicContact CG1-CG 4.32Å; T152-Y210 HydrophobicContact CG2-CD2 4.29Å; I186-Y210 HydrophobicContact CG2-CD1 3.83Å; I186-Y210 HydrophobicContact CG2-CE1 3.75Å; A206-Y210 WeakPolarHBondContact O-CB 3.34Å; A206-Y210 PolarHBondContact O-N 3.32Å; Y210-T212 VanDerWaalsContact C-N 3.29Å; Y210-T212 PolarHBondContact O-N 3.39Å; Y210-S213 PolarHBondContact O-N 3.3Å; Y210-S213 PolarHBondContact O-OG 3.02Å; Y210-K214 HydrophobicContact CD2-CG 4.45Å; Y210-K214 HydrophobicContact CE1-CG 4.26Å; Y210-K214 HydrophobicContact CE2-CD 4.28Å; Y210-K214 VanDerWaalsContact CE2-CE 3.4Å; Y210-K214 HydrophobicContact CE2-CG 4.09Å; Y210-K214 WeakPolarHBondContact O-CG 3.34Å; Y210-K214 PolarHBondContact O-N 3.49Å; Y210-K214 WeakPolarHBondContact OH-CE 3.25Å
211S93.4Very high96.3Very high3 Ų333.1 Ų33.12%0.02116%0.161CC..Hα-helixtrans-61.9-36.3178.261.50000113.1I186 G190 L207 N208 A209 K214 L215I186-S211 VanDerWaalsContact O-CB 3.29Å; I186-S211 WeakPolarHBondContact O-CB 3.37Å; G190-S211 WeakPolarHBondContact CA-O 2.97Å; L207-S211 VanDerWaalsContact O-CB 3.22Å; L207-S211 WeakPolarHBondContact O-CB 3.14Å; L207-S211 PolarHBondContact O-N 3.13Å; L207-S211 PolarHBondContact O-OG 3.49Å; N208-S211 WeakPolarHBondContact CA-OG 3.34Å; N208-S211 PolarHBondContact O-OG 3.42Å; A209-S211 PolarHBondContact O-N 2.95Å; S211-K214 PolarHBondContact O-N 3.13Å; S211-L215 PolarHBondContact O-N 2.9Å
212T97.7Very high96.3Very high2 Ų227.1 Ų27.11%0.01213%0.133CC..Hα-helixtrans-65.4-44.2173.2-63.60000111.7M153 R191 I193 N208 A209 Y210 K214 L215 A216M153-T212 HydrophobicContact SD-CG2 3.92Å; R191-T212 PolarHBondContact N-OG1 2.84Å; R191-T212 WeakPolarHBondContact O-CG2 3.48Å; R191-T212 PolarHBondContact O-OG1 3.39Å; I193-T212 HydrophobicContact CG1-CG2 4.19Å; N208-T212 VanDerWaalsContact O-CB 3.23Å; N208-T212 WeakPolarHBondContact O-CB 3.21Å; N208-T212 PolarHBondContact O-N 3.25Å; N208-T212 PolarHBondContact O-OG1 3.35Å; A209-T212 PolarHBondContact O-N 3.14Å; Y210-T212 VanDerWaalsContact C-N 3.29Å; Y210-T212 PolarHBondContact O-N 3.39Å; T212-K214 VanDerWaalsContact C-N 3.29Å; T212-K214 PolarHBondContact O-N 2.78Å; T212-L215 WeakPolarHBondContact O-CB 3.36Å; T212-L215 PolarHBondContact O-N 2.87Å; T212-L215 VanDerWaalsContact O-N 3.15Å; T212-A216 PolarHBondContact O-N 3.08Å
213S98.3Very high96.4Very high0 Ų018.1 Ų18.10%09%0.094CC..Hα-helixtrans-61.8-36.8176.178.40000112.8M153 N156 A209 Y210 A216 N217M153-S213 WeakPolarHBondContact SD-CA 3.45Å; M153-S213 VanDerWaalsContact SD-CB 3.53Å; M153-S213 PolarHBondContact SD-N 3.4Å; M153-S213 VanDerWaalsContact SD-N 3.44Å; N156-S213 PolarHBondContact ND2-OG 2.75Å; A209-S213 PolarHBondContact O-N 2.95Å; Y210-S213 PolarHBondContact O-N 3.3Å; Y210-S213 PolarHBondContact O-OG 3.02Å; S213-A216 WeakPolarHBondContact O-CB 3.45Å; S213-A216 PolarHBondContact O-N 3.44Å; S213-N217 PolarHBondContact O-N 3.41Å; S213-N217 VanDerWaalsContact O-N 3.11Å
214K97.4Very high96.6Very high7 Ų714.3 Ų14.33%0.037%0.071CC..Hα-helixtrans-74.6-30.6177-61.9-51.2-175.6-179.70112.2V182 S183 I186 H187 Y210 S211 T212 N217 V218V182-K214 PolarHBondContact O-NZ 3.49Å; S183-K214 PolarHBondContact OG-O 3.32Å; I186-K214 HydrophobicContact CG2-CB 4.39Å; I186-K214 HydrophobicContact CG2-CG 4.33Å; H187-K214 VanDerWaalsContact CB-C 3.49Å; H187-K214 HydrophobicContact CB-CB 3.97Å; Y210-K214 HydrophobicContact CD2-CG 4.45Å; Y210-K214 HydrophobicContact CE1-CG 4.26Å; Y210-K214 HydrophobicContact CE2-CD 4.28Å; Y210-K214 VanDerWaalsContact CE2-CE 3.4Å; Y210-K214 HydrophobicContact CE2-CG 4.09Å; Y210-K214 WeakPolarHBondContact O-CG 3.34Å; Y210-K214 PolarHBondContact O-N 3.49Å; Y210-K214 WeakPolarHBondContact OH-CE 3.25Å; S211-K214 PolarHBondContact O-N 3.13Å; T212-K214 VanDerWaalsContact C-N 3.29Å; T212-K214 PolarHBondContact O-N 2.78Å; K214-N217 WeakPolarHBondContact CD-OD1 3.17Å; K214-V218 PolarHBondContact O-N 3.37Å
215L98.4Very high96.6Very high2 Ų213.2 Ų13.21%0.017%0.068CC..Hα-helixtrans-65-42.7167.8175.963.1000111.1H187 I192 S211 T212 N217 V218 I219 A304H187-L215 HydrophobicContact CB-CB 4.34Å; I192-L215 HydrophobicContact CG1-CD2 4.48Å; S211-L215 PolarHBondContact O-N 2.9Å; T212-L215 WeakPolarHBondContact O-CB 3.36Å; T212-L215 PolarHBondContact O-N 2.87Å; T212-L215 VanDerWaalsContact O-N 3.15Å; L215-N217 VanDerWaalsContact C-N 3.29Å; L215-N217 PolarHBondContact O-N 3.43Å; L215-V218 WeakPolarHBondContact O-CB 3.36Å; L215-V218 PolarHBondContact O-N 3.28Å; L215-I219 HydrophobicContact CD1-CD1 4.2Å; L215-I219 HydrophobicContact CD1-CG1 4.32Å; L215-I219 HydrophobicContact CD2-CD1 4.36Å; L215-I219 HydrophobicContact CG-CD1 3.86Å; L215-I219 HydrophobicContact CG-CG1 4.41Å; L215-I219 PolarHBondContact O-N 3.19Å; L215-A304 HydrophobicContact CD1-CB 4.03Å
216A98.8Very high96.7Very high1 Ų115.8 Ų15.81%0.0088%0.078CC..Hα-helixtrans-57.7-41.4176.900000111.9M153 Y157 T212 S213 V218 I219 H220 F313M153-A216 HydrophobicContact CE-CB 4.29Å; Y157-A216 HydrophobicContact CD1-CB 3.84Å; Y157-A216 HydrophobicContact CD2-CB 3.55Å; Y157-A216 HydrophobicContact CE1-CB 4.22Å; Y157-A216 HydrophobicContact CE2-CB 3.98Å; Y157-A216 HydrophobicContact CG-CB 3.47Å; Y157-A216 VanDerWaalsContact CG-CB 3.47Å; T212-A216 PolarHBondContact O-N 3.08Å; S213-A216 WeakPolarHBondContact O-CB 3.45Å; S213-A216 PolarHBondContact O-N 3.44Å; A216-V218 VanDerWaalsContact C-N 3.27Å; A216-V218 PolarHBondContact O-N 3.46Å; A216-I219 PolarHBondContact O-N 3.26Å; A216-H220 WeakPolarHBondContact O-CB 3.39Å; A216-H220 PolarHBondContact O-N 3.35Å; A216-F313 HydrophobicContact CB-CE1 3.89Å; A216-F313 HydrophobicContact CB-CZ 3.49Å; A216-F313 VanDerWaalsContact CB-CZ 3.49Å
217N98.8Very high97Very high4 Ų418.2 Ų18.22%0.0219%0.087CC..Hα-helixtrans-58.3-36.6174-66.4155.5000113.6N156 N181 V182 S213 K214 L215 A221N156-N217 PolarHBondContact O-ND2 3.24Å; N181-N217 HydrophobicContact CB-CB 4.11Å; N181-N217 PolarHBondContact ND2-O 3.31Å; V182-N217 PolarHBondContact O-OD1 2.76Å; S213-N217 PolarHBondContact O-N 3.41Å; S213-N217 VanDerWaalsContact O-N 3.11Å; K214-N217 WeakPolarHBondContact CD-OD1 3.17Å; L215-N217 VanDerWaalsContact C-N 3.29Å; L215-N217 PolarHBondContact O-N 3.43Å; N217-A221 PolarHBondContact O-N 3.21Å; N217-A221 VanDerWaalsContact O-N 3.14Å
218V98.9Very high97.3Very high0 Ų016 Ų160%08%0.075CC..Hα-helixtrans-74.1-47.4178.2178.60000110.7S183 H187 K214 L215 A216 H220 A221 I222 Y291 P300 A304S183-V218 WeakPolarHBondContact OG-CG2 2.84Å; H187-V218 HydrophobicContact CB-CG2 4.4Å; K214-V218 PolarHBondContact O-N 3.37Å; L215-V218 WeakPolarHBondContact O-CB 3.36Å; L215-V218 PolarHBondContact O-N 3.28Å; A216-V218 VanDerWaalsContact C-N 3.27Å; A216-V218 PolarHBondContact O-N 3.46Å; V218-H220 VanDerWaalsContact C-N 3.28Å; V218-H220 PolarHBondContact O-N 2.68Å; V218-A221 PolarHBondContact O-N 3.18Å; V218-I222 HydrophobicContact CG1-CD1 3.99Å; V218-I222 WeakPolarHBondContact O-CG1 3.42Å; V218-I222 PolarHBondContact O-N 3.31Å; V218-I222 VanDerWaalsContact O-N 3.13Å; V218-Y291 HydrophobicContact CG2-CD2 4.08Å; V218-Y291 HydrophobicContact CG2-CE2 4.29Å; V218-P300 HydrophobicContact CG1-CB 3.55Å; V218-P300 HydrophobicContact CG1-CG 4.46Å; V218-A304 HydrophobicContact CG1-CB 3.85Å
219I98.8Very high97.3Very high2 Ų219.8 Ų19.81%0.019%0.089CC..Hα-helixtrans-55.5-47.3175-71.8169.1000110.3I192 L215 A216 A221 I222 E223 A304 R310 F313I192-I219 HydrophobicContact CD1-CD1 3.91Å; I192-I219 HydrophobicContact CG1-CD1 3.93Å; L215-I219 HydrophobicContact CD1-CD1 4.2Å; L215-I219 HydrophobicContact CD1-CG1 4.32Å; L215-I219 HydrophobicContact CD2-CD1 4.36Å; L215-I219 HydrophobicContact CG-CD1 3.86Å; L215-I219 HydrophobicContact CG-CG1 4.41Å; L215-I219 PolarHBondContact O-N 3.19Å; A216-I219 PolarHBondContact O-N 3.26Å; I219-A221 PolarHBondContact O-N 3.07Å; I219-I222 PolarHBondContact O-N 3.45Å; I219-E223 WeakPolarHBondContact O-CB 3.48Å; I219-E223 PolarHBondContact O-N 3.06Å; I219-A304 HydrophobicContact CG1-CB 3.78Å; I219-R310 HydrophobicContact CG2-CB 4.28Å; I219-R310 HydrophobicContact CG2-CG 4Å; I219-F313 HydrophobicContact CB-CD1 4.34Å; I219-F313 HydrophobicContact CB-CE1 4.47Å; I219-F313 HydrophobicContact CD1-CD2 4.28Å; I219-F313 HydrophobicContact CD1-CE2 4.43Å; I219-F313 HydrophobicContact CD1-CG 4.42Å; I219-F313 HydrophobicContact CG2-CB 4.1Å; I219-F313 HydrophobicContact CG2-CD1 3.53Å; I219-F313 HydrophobicContact CG2-CE1 4.11Å; I219-F313 HydrophobicContact CG2-CG 3.91Å
220H98.7Very high97.1Very high3 Ų327 Ų271%0.01413%0.128CC..Hα-helixtrans-58.4-48.1178.3179.6-135.1000112Y157 F161 N181 A216 V218 I222 E223 L224 W314Y157-H220 HydrophobicContact CE2-CB 3.96Å; F161-H220 AromaticContact CD2-CD2 3.34Å; F161-H220 WeakPolarHBondContact CD2-CD2 3.44Å; F161-H220 AromaticContact CD2-NE2 3.5Å; F161-H220 WeakPolarHBondContact CD2-NE2 3.48Å; F161-H220 AromaticContact CE2-CD2 3.57Å; F161-H220 AromaticContact CE2-NE2 3.87Å; N181-H220 PolarHBondContact ND2-ND1 3.01Å; A216-H220 WeakPolarHBondContact O-CB 3.39Å; A216-H220 PolarHBondContact O-N 3.35Å; V218-H220 VanDerWaalsContact C-N 3.28Å; V218-H220 PolarHBondContact O-N 2.68Å; H220-I222 VanDerWaalsContact C-N 3.33Å; H220-I222 PolarHBondContact O-N 3.32Å; H220-E223 PolarHBondContact O-N 2.82Å; H220-L224 WeakPolarHBondContact O-CB 3.37Å; H220-L224 PolarHBondContact O-N 3.24Å; H220-W314 AromaticContact CD2-CZ3 3.74Å
221A98.8Very high97.2Very high0 Ų027.1 Ų27.10%013%0.134CC..Hα-helixtrans-61.8-40-18000000112.9N217 V218 I219 S225 V236N217-A221 PolarHBondContact O-N 3.21Å; N217-A221 VanDerWaalsContact O-N 3.14Å; V218-A221 PolarHBondContact O-N 3.18Å; I219-A221 PolarHBondContact O-N 3.07Å; A221-S225 WeakPolarHBondContact O-CB 3.06Å; A221-S225 PolarHBondContact O-N 3Å; A221-S225 PolarHBondContact O-OG 3.38Å; A221-V236 VanDerWaalsContact CB-C 3.45Å
222I98.7Very high97.2Very high19 Ų1928.6 Ų28.610%0.09715%0.149CC..Hα-helixtrans-66.2-56177.7-61.1161.4000110V218 I219 H220 L224 S225 E226 G289 P300 A304 R310V218-I222 HydrophobicContact CG1-CD1 3.99Å; V218-I222 WeakPolarHBondContact O-CG1 3.42Å; V218-I222 PolarHBondContact O-N 3.31Å; V218-I222 VanDerWaalsContact O-N 3.13Å; I219-I222 PolarHBondContact O-N 3.45Å; H220-I222 VanDerWaalsContact C-N 3.33Å; H220-I222 PolarHBondContact O-N 3.32Å; I222-L224 PolarHBondContact O-N 3.28Å; I222-S225 WeakPolarHBondContact O-CB 2.86Å; I222-S225 PolarHBondContact O-N 2.02Å; I222-S225 VanDerWaalsContact O-N 3.15Å; I222-E226 PolarHBondContact O-N 3.02Å; I222-G289 WeakPolarHBondContact CG1-O 3.34Å; I222-P300 HydrophobicContact CD1-CG 4.26Å; I222-A304 HydrophobicContact CD1-CB 3.84Å; I222-A304 WeakPolarHBondContact CD1-O 3.12Å; I222-R310 VanDerWaalsContact CG2-NE 3.33Å
223E98.2Very high97.3Very high8 Ų828.8 Ų28.84%0.03715%0.151CC..Hα-helixtrans-67.2-37.9-174.5-168.461.4-161.900112.4I219 H220 S225 E226 R227 R310 K311 W314I219-E223 WeakPolarHBondContact O-CB 3.48Å; I219-E223 PolarHBondContact O-N 3.06Å; H220-E223 PolarHBondContact O-N 2.82Å; E223-S225 VanDerWaalsContact C-N 3.28Å; E223-S225 PolarHBondContact O-N 3.13Å; E223-E226 PolarHBondContact O-N 3.24Å; E223-R227 WeakPolarHBondContact O-CG 3.19Å; E223-R227 PolarHBondContact O-N 3.33Å; E223-R227 VanDerWaalsContact O-N 3.08Å; E223-R227 IonicContact OE1-NE 3.37Å; E223-R310 HydrophobicContact CB-CB 4.33Å; E223-R310 HydrophobicContact CG-CB 4.45Å; E223-R310 WeakPolarHBondContact OE2-CB 3.49Å; E223-R310 IonicContact OE2-NE 2.78Å; E223-R310 PolarHBondContact OE2-NE 3.08Å; E223-K311 WeakPolarHBondContact OE1-CG 3.38Å; E223-W314 HydrophobicContact CB-CE3 4.07Å; E223-W314 HydrophobicContact CG-CB 3.99Å; E223-W314 HydrophobicContact CG-CD2 4.15Å; E223-W314 HydrophobicContact CG-CE3 3.8Å; E223-W314 HydrophobicContact CG-CG 4.25Å
224L98.1Very high97.3Very high0 Ų030.2 Ų30.20%016%0.159CC..Hα-helixtrans-61.7-37.8174-175.664000111.4T164 I179 H220 I222 R227 L228 A235 W314T164-L224 HydrophobicContact CG2-CD2 3.63Å; I179-L224 HydrophobicContact CD1-CD2 3.6Å; I179-L224 HydrophobicContact CG2-CD2 4.25Å; H220-L224 WeakPolarHBondContact O-CB 3.37Å; H220-L224 PolarHBondContact O-N 3.24Å; I222-L224 PolarHBondContact O-N 3.28Å; L224-R227 PolarHBondContact O-N 3.29Å; L224-L228 HydrophobicContact CD1-CD1 3.7Å; L224-L228 HydrophobicContact CD1-CG 3.92Å; L224-L228 HydrophobicContact CD2-CD1 4.25Å; L224-L228 HydrophobicContact CG-CD1 3.66Å; L224-L228 HydrophobicContact CG-CG 4.17Å; L224-L228 WeakPolarHBondContact O-CB 3.49Å; L224-L228 VanDerWaalsContact O-CG 3.28Å; L224-L228 WeakPolarHBondContact O-CG 3.37Å; L224-L228 PolarHBondContact O-N 3.27Å; L224-A235 HydrophobicContact CB-CB 4.16Å; L224-A235 HydrophobicContact CD2-CB 3.77Å; L224-A235 HydrophobicContact CG-CB 4.04Å; L224-W314 HydrophobicContact CB-CH2 4.48Å; L224-W314 HydrophobicContact CB-CZ3 3.98Å; L224-W314 HydrophobicContact CD1-CH2 3.62Å; L224-W314 HydrophobicContact CD1-CZ3 3.99Å
225S97.1Very high97.3Very high11 Ų1129.9 Ų29.98%0.07716%0.158CC..Hα-helixtrans-67.8-36.6177.8-64.10000113A221 I222 E223 R227 K229 A235 G289A221-S225 WeakPolarHBondContact O-CB 3.06Å; A221-S225 PolarHBondContact O-N 3Å; A221-S225 PolarHBondContact O-OG 3.38Å; I222-S225 WeakPolarHBondContact O-CB 2.86Å; I222-S225 PolarHBondContact O-N 2.02Å; I222-S225 VanDerWaalsContact O-N 3.15Å; E223-S225 VanDerWaalsContact C-N 3.28Å; E223-S225 PolarHBondContact O-N 3.13Å; S225-R227 VanDerWaalsContact C-N 3.31Å; S225-K229 PolarHBondContact O-N 3.16Å; S225-A235 WeakPolarHBondContact OG-CB 3.34Å; S225-A235 PolarHBondContact OG-N 2.82Å; S225-A235 PolarHBondContact OG-O 2.99Å; S225-G289 VanDerWaalsContact CB-N 3.3Å; S225-G289 VanDerWaalsContact OG-CA 3.28Å; S225-G289 WeakPolarHBondContact OG-CA 3.44Å; S225-G289 PolarHBondContact OG-N 2.9Å
226E96.8Very high97.3Very high117 Ų11729.8 Ų29.855%0.54716%0.158SC..Hα-helixtrans-63.8-40.3173.1-65.6-60.9152.300111.1I222 E223 K229I222-E226 PolarHBondContact O-N 3.02Å; E223-E226 PolarHBondContact O-N 3.24Å; E226-K229 WeakPolarHBondContact O-CB 3.27Å
227R96.7Very high97.3Very high54 Ų5429.8 Ų29.820%0.20416%0.157CC..Hα-helixtrans-74.2-29.9179.3-70.1173.3170.8-92.27.1113.9E223 L224 S225 K229 W314 N327E223-R227 WeakPolarHBondContact O-CG 3.19Å; E223-R227 PolarHBondContact O-N 3.33Å; E223-R227 VanDerWaalsContact O-N 3.08Å; E223-R227 IonicContact OE1-NE 3.37Å; L224-R227 PolarHBondContact O-N 3.29Å; S225-R227 VanDerWaalsContact C-N 3.31Å; R227-K229 VanDerWaalsContact C-N 3.31Å; R227-W314 VanDerWaalsContact CD-CE2 3.45Å; R227-N327 HydrophobicContact CB-CB 4.29Å; R227-N327 PolarHBondContact NH1-O 2.82Å
228L96.3Very high97.3Very high3 Ų329.6 Ų29.62%0.01616%0.156CC..THydrogen-bonded Turntrans-94.315.2177.4-63.1-179.9000113L168 I179 L224 D230 C231 V233L168-L228 HydrophobicContact CD1-CD2 4.36Å; L168-L228 HydrophobicContact CD2-CD1 3.77Å; L168-L228 HydrophobicContact CD2-CD2 4.02Å; L168-L228 HydrophobicContact CD2-CG 4.5Å; I179-L228 HydrophobicContact CD1-CD1 3.94Å; L224-L228 HydrophobicContact CD1-CD1 3.7Å; L224-L228 HydrophobicContact CD1-CG 3.92Å; L224-L228 HydrophobicContact CD2-CD1 4.25Å; L224-L228 HydrophobicContact CG-CD1 3.66Å; L224-L228 HydrophobicContact CG-CG 4.17Å; L224-L228 WeakPolarHBondContact O-CB 3.49Å; L224-L228 VanDerWaalsContact O-CG 3.28Å; L224-L228 WeakPolarHBondContact O-CG 3.37Å; L224-L228 PolarHBondContact O-N 3.27Å; L228-D230 PolarHBondContact O-N 3.23Å; L228-C231 HydrophobicContact CB-CB 4.35Å; L228-C231 VanDerWaalsContact O-CB 3.27Å; L228-C231 WeakPolarHBondContact O-CB 3.39Å; L228-C231 PolarHBondContact O-N 3.29Å; L228-V233 HydrophobicContact CB-CB 4.4Å; L228-V233 HydrophobicContact CD1-CB 3.87Å; L228-V233 HydrophobicContact CD1-CG1 3.69Å
229K93.9Very high97.1Very high138 Ų13830.2 Ų30.260%0.616%0.159SC*.THydrogen-bonded Turntrans-53.8136.8174-164.9179.2178-179.30109.5S225 E226 R227 C231S225-K229 PolarHBondContact O-N 3.16Å; E226-K229 WeakPolarHBondContact O-CB 3.27Å; R227-K229 VanDerWaalsContact C-N 3.31Å; K229-C231 PolarHBondContact O-N 3.03Å
230D92.3Very high96.6Very high153 Ų15330.6 Ų30.682%0.81816%0.162SC*.THydrogen-bonded Turntrans63.23-179-47.9-43.9000115.7L228 G232L228-D230 PolarHBondContact O-N 3.23Å; D230-G232 VanDerWaalsContact C-N 3.31Å
231C94.8Very high95.5Very high42 Ų4231 Ų3128%0.28417%0.167SC..THydrogen-bonded Turntrans-83.9-4.9173.9-64.50000113.4K172 L228 K229 V233K172-C231 HydrophobicContact CG-CB 4.34Å; L228-C231 HydrophobicContact CB-CB 4.35Å; L228-C231 VanDerWaalsContact O-CB 3.27Å; L228-C231 WeakPolarHBondContact O-CB 3.39Å; L228-C231 PolarHBondContact O-N 3.29Å; K229-C231 PolarHBondContact O-N 3.03Å; C231-V233 HydrophobicContact CB-CG2 4.4Å; C231-V233 PolarHBondContact O-N 3.3Å
232G94.7Very high93.8Very high34 Ų3435.3 Ų35.335%0.35119%0.189SC..THydrogen-bonded Turntrans68.515.1-174.500000114.4S176 S177 D230S176-G232 VanDerWaalsContact CA-O 3.28Å; S176-G232 WeakPolarHBondContact CA-O 3.45Å; S177-G232 PolarHBondContact N-O 2.99Å; D230-G232 VanDerWaalsContact C-N 3.31Å
233V98Very high91.8Very high7 Ų735.3 Ų35.34%0.04219%0.19CC..EExtended strand (participates in β ladder)trans-109.6126.2176.6-174.40000108.9L171 K172 S177 I179 L228 C231L171-V233 HydrophobicContact CB-CG1 4.33Å; L171-V233 HydrophobicContact CB-CG2 4.4Å; K172-V233 HydrophobicContact CB-CG2 4.45Å; K172-V233 HydrophobicContact CG-CG2 3.87Å; S177-V233 WeakPolarHBondContact OG-CG2 3.42Å; I179-V233 HydrophobicContact CD1-CG1 3.63Å; I179-V233 HydrophobicContact CG1-CG1 4.01Å; L228-V233 HydrophobicContact CB-CB 4.4Å; L228-V233 HydrophobicContact CD1-CB 3.87Å; L228-V233 HydrophobicContact CD1-CG1 3.69Å; C231-V233 HydrophobicContact CB-CG2 4.4Å; C231-V233 PolarHBondContact O-N 3.3Å
234V98.4Very high89.6Confident30 Ų3038.6 Ų38.618%0.18221%0.207CC..EExtended strand (participates in β ladder)trans-109.5119.9-178.4-1770000109.9S177 R178 I179 V236 L286 P288S177-V234 PolarHBondContact O-N 2.9Å; R178-V234 CarbonylContact C-O 3.52Å; R178-V234 VanDerWaalsContact CA-O 3.29Å; R178-V234 WeakPolarHBondContact CA-O 3.5Å; I179-V234 PolarHBondContact N-O 3.41Å; V234-V236 HydrophobicContact CG1-CG1 4.21Å; V234-L286 HydrophobicContact CB-CD2 4.15Å; V234-L286 HydrophobicContact CG1-CB 4.48Å; V234-L286 HydrophobicContact CG1-CD2 3.57Å; V234-L286 HydrophobicContact CG1-CG 3.94Å; V234-P288 HydrophobicContact CG1-CB 4.14Å; V234-P288 HydrophobicContact CG1-CG 4.01Å; V234-P288 HydrophobicContact CG2-CG 4.32Å
235A98.7Very high87.4Confident0 Ų040.5 Ų40.50%022%0.219CC..EExtended strand (participates in β ladder)trans-100.7137.2172.200000111.2I179 L224 S225 G289I179-A235 HydrophobicContact CB-CB 4.07Å; I179-A235 CarbonylContact O-C 3.43Å; I179-A235 VanDerWaalsContact O-CA 3.31Å; I179-A235 WeakPolarHBondContact O-CA 3.34Å; L224-A235 HydrophobicContact CB-CB 4.16Å; L224-A235 HydrophobicContact CD2-CB 3.77Å; L224-A235 HydrophobicContact CG-CB 4.04Å; S225-A235 WeakPolarHBondContact OG-CB 3.34Å; S225-A235 PolarHBondContact OG-N 2.82Å; S225-A235 PolarHBondContact OG-O 2.99Å; A235-G289 WeakPolarHBondContact O-CA 3.23Å; A235-G289 PolarHBondContact O-N 3Å
236V98.9Very high85.3Confident0 Ų044.1 Ų44.10%024%0.235CC..EExtended strand (participates in β ladder)trans-142.4163.9176.2-65.20000110.5I179 I180 N181 A221 V234 T280 L286 I287 Y292I179-V236 PolarHBondContact O-N 2.92Å; I180-V236 HydrophobicContact CG1-CG2 3.88Å; N181-V236 PolarHBondContact N-O 2.79Å; A221-V236 VanDerWaalsContact CB-C 3.45Å; V234-V236 HydrophobicContact CG1-CG1 4.21Å; V236-T280 HydrophobicContact CG2-CG2 4.14Å; V236-L286 HydrophobicContact CG1-CD1 3.89Å; V236-L286 HydrophobicContact CG1-CD2 3.89Å; V236-L286 HydrophobicContact CG1-CG 3.77Å; V236-L286 HydrophobicContact CG2-CD1 4.2Å; V236-L286 HydrophobicContact CG2-CD2 4.11Å; V236-I287 WeakPolarHBondContact CG1-O 3.14Å; V236-Y292 HydrophobicContact CB-CD2 4.48Å; V236-Y292 HydrophobicContact CB-CE2 4.47Å; V236-Y292 HydrophobicContact CG1-CE2 4.15Å
237S98.8Very high83.2Confident0 Ų040.6 Ų40.60%022%0.222CC..EExtended strand (participates in β ladder)trans-125.5159.9171.459.20000111N181 S290 Y291 Y292N181-S237 VanDerWaalsContact O-CA 3.27Å; N181-S237 WeakPolarHBondContact O-CA 3.34Å; S237-S290 PolarHBondContact N-O 3.4Å; S237-S290 VanDerWaalsContact N-O 3.1Å; S237-Y291 CarbonylContact O-C 3.58Å; S237-Y291 VanDerWaalsContact O-CA 3.32Å; S237-Y291 WeakPolarHBondContact O-CA 3.19Å; S237-Y292 PolarHBondContact O-N 3.48Å
238L98.3Very high81.2Confident0 Ų040.9 Ų40.90%023%0.226CC..EExtended strand (participates in β ladder)trans-150.8159.9179.865.288.9000114.8I180 N181 V182 S183 P240 T276 T277 T280 Y292I180-L238 HydrophobicContact CG2-CD2 3.51Å; I180-L238 HydrophobicContact CG2-CG 4.44Å; N181-L238 PolarHBondContact O-N 2.97Å; N181-L238 VanDerWaalsContact O-N 3.1Å; V182-L238 HydrophobicContact CG1-CD1 4.31Å; V182-L238 HydrophobicContact CG2-CD1 4.47Å; S183-L238 CarbonylContact C-O 3.24Å; S183-L238 VanDerWaalsContact C-O 3.24Å; S183-L238 WeakPolarHBondContact CA-O 3.49Å; S183-L238 WeakPolarHBondContact CB-O 3.41Å; S183-L238 PolarHBondContact N-O 2.97Å; L238-P240 HydrophobicContact CD1-CB 4.24Å; L238-T276 HydrophobicContact CB-CG2 3.8Å; L238-T276 HydrophobicContact CD1-CG2 4.24Å; L238-T276 HydrophobicContact CD2-CG2 4.25Å; L238-T276 HydrophobicContact CG-CG2 4.33Å; L238-T277 VanDerWaalsContact CD2-CA 3.46Å; L238-T277 HydrophobicContact CD2-CG2 4.41Å; L238-T280 HydrophobicContact CD2-CG2 3.99Å; L238-T280 WeakPolarHBondContact CD2-OG1 3.37Å; L238-Y292 CarbonylContact C-O 3.54Å; L238-Y292 WeakPolarHBondContact CA-O 3.19Å; L238-Y292 WeakPolarHBondContact CB-O 3.48Å
239H93.6Very high79.3Confident14 Ų1449.2 Ų49.27%0.06526%0.257CS..EExtended strand (participates in β ladder)trans-99.9125.2161.5170.254000110.9M185 G241 T276 Y291 Y292M185-H239 PolarHBondContact N-ND1 2.84Å; H239-G241 VanDerWaalsContact C-N 3.27Å; H239-G241 PolarHBondContact CD2-N 3.47Å; H239-G241 WeakPolarHBondContact CE1-CA 3.19Å; H239-G241 PolarHBondContact CE1-N 3.36Å; H239-G241 PolarHBondContact CE1-O 2.79Å; H239-G241 PolarHBondContact ND1-N 3.03Å; H239-G241 WeakPolarHBondContact NE2-CA 3.37Å; H239-G241 PolarHBondContact NE2-N 3.5Å; H239-G241 PolarHBondContact O-N 3.34Å; H239-T276 PolarHBondContact O-OG1 2.82Å; H239-Y291 HydrophobicContact CB-CE2 4.36Å; H239-Y291 VanDerWaalsContact CB-OH 3.25Å; H239-Y291 WeakPolarHBondContact CB-OH 3.41Å; H239-Y292 PolarHBondContact N-O 3.35Å
240P88.8Confident77.2Confident10 Ų1046.8 Ų46.87%0.06525%0.251CS..  trans-79.5-0.9-179.432.7-37.2000113.6R13 I36 V182 S183 L238 G273R13-P240 PolarHBondContact NH1-O 3.49Å; R13-P240 VanDerWaalsContact NH1-O 3.1Å; R13-P240 PolarHBondContact NH2-O 2.94Å; I36-P240 HydrophobicContact CD1-CB 3.58Å; I36-P240 HydrophobicContact CD1-CG 3.71Å; I36-P240 HydrophobicContact CG1-CB 4.46Å; V182-P240 HydrophobicContact CG1-CB 4.43Å; V182-P240 HydrophobicContact CG1-CG 3.95Å; S183-P240 WeakPolarHBondContact O-CD 3.38Å; L238-P240 HydrophobicContact CD1-CB 4.24Å; P240-G273 WeakPolarHBondContact O-CA 3.4Å
241G76.6Confident75.2Confident12 Ų1240.5 Ų40.512%0.12422%0.216CC..  trans92173-167.500000113R13 H239 V243R13-G241 VanDerWaalsContact NH1-CA 3.31Å; H239-G241 VanDerWaalsContact C-N 3.27Å; H239-G241 PolarHBondContact CD2-N 3.47Å; H239-G241 WeakPolarHBondContact CE1-CA 3.19Å; H239-G241 PolarHBondContact CE1-N 3.36Å; H239-G241 PolarHBondContact CE1-O 2.79Å; H239-G241 PolarHBondContact ND1-N 3.03Å; H239-G241 WeakPolarHBondContact NE2-CA 3.37Å; H239-G241 PolarHBondContact NE2-N 3.5Å; H239-G241 PolarHBondContact O-N 3.34Å; G241-V243 PolarHBondContact O-N 2.87Å
242I63.2Low73.1Confident90 Ų9044.2 Ų44.246%0.46224%0.238SC..SBendtrans-84.8100.5172.3-54.9174000107.4A266 T268I242-A266 HydrophobicContact CB-CB 4.18Å; I242-A266 HydrophobicContact CD1-CB 4.23Å; I242-A266 HydrophobicContact CG2-CB 3.74Å; I242-T268 PolarHBondContact O-N 3.33Å; I242-T268 PolarHBondContact O-OG1 3.26Å
243V55.4Low71Confident18 Ų1846.7 Ų46.711%0.10925%0.25CS..BIsolated β-bridgetrans-106.1139.6-173.9-176.60000109I36 G241 T245 T268 P270I36-V243 HydrophobicContact CD1-CB 4.21Å; I36-V243 HydrophobicContact CD1-CG1 4.43Å; I36-V243 HydrophobicContact CD1-CG2 3.9Å; I36-V243 HydrophobicContact CG1-CB 4.43Å; I36-V243 HydrophobicContact CG1-CG1 4.14Å; I36-V243 HydrophobicContact CG1-CG2 4.12Å; G241-V243 PolarHBondContact O-N 2.87Å; V243-T245 HydrophobicContact CB-CG2 3.79Å; V243-T245 HydrophobicContact CG1-CG2 3.56Å; V243-T245 PolarHBondContact O-N 3.44Å; V243-T268 WeakPolarHBondContact CG2-OG1 3.44Å; V243-P270 HydrophobicContact CG1-CB 4.22Å; V243-P270 HydrophobicContact CG1-CG 3.98Å
244N53.3Low68.7Low77 Ų7749.3 Ų49.341%0.41226%0.261SS..  trans-63.7105.4166.8-162.95.8000108.5F267 T268N244-F267 HydrophobicContact CB-CD1 3.34Å; N244-F267 HydrophobicContact CB-CE1 3.36Å; N244-F267 HydrophobicContact CB-CG 4.37Å; N244-F267 HydrophobicContact CB-CZ 4.36Å; N244-F267 WeakPolarHBondContact ND2-CE1 2.84Å; N244-F267 WeakPolarHBondContact ND2-CZ 3.26Å; N244-F267 VanDerWaalsContact OD1-CE1 3.25Å; N244-F267 WeakPolarHBondContact OD1-CE1 3.43Å; N244-T268 PolarHBondContact N-O 3.02Å
245T51.1Low66.3Low41 Ų4152.5 Ų52.525%0.25228%0.282SS..  trans-133.5152.7-177.6560000111.4I36 V243 V247I36-T245 HydrophobicContact CD1-CG2 4.46Å; V243-T245 HydrophobicContact CB-CG2 3.79Å; V243-T245 HydrophobicContact CG1-CG2 3.56Å; V243-T245 PolarHBondContact O-N 3.44Å; T245-V247 PolarHBondContact O-N 2.74Å; T245-V247 VanDerWaalsContact O-N 3.13Å; T245-V247 WeakPolarHBondContact OG1-CB 3.49Å; T245-V247 WeakPolarHBondContact OG1-CG2 3.11Å
246E53.8Low64Low86 Ų8655.2 Ų55.240%0.40230%0.301SS..G310 helixtrans-63.5-6.2168.3-68.6179.5-145.900113.1T34 R60 M248 R249T34-E246 PolarHBondContact OG1-OE1 3.27Å; R60-E246 IonicContact CZ-OE2 3.1Å; R60-E246 IonicContact NH1-OE2 3.12Å; R60-E246 IonicContact NH2-OE1 3.9Å; R60-E246 IonicContact NH2-OE2 3.04Å; R60-E246 PolarHBondContact NH2-OE2 3.1Å; E246-M248 PolarHBondContact O-N 3.25Å; E246-R249 WeakPolarHBondContact O-CB 3.42Å; E246-R249 PolarHBondContact O-N 2.67Å
247V51.9Low61.4Low44 Ų4461.2 Ų61.227%0.26733%0.333SS..G310 helixtrans-52.8-32-179172.90000111.4I138 T245I138-V247 HydrophobicContact CG2-CG1 3.88Å; I138-V247 WeakPolarHBondContact CG2-O 3.24Å; T245-V247 PolarHBondContact O-N 2.74Å; T245-V247 VanDerWaalsContact O-N 3.13Å; T245-V247 WeakPolarHBondContact OG1-CB 3.49Å; T245-V247 WeakPolarHBondContact OG1-CG2 3.11Å
248M54.8Low58.9Low60 Ų6066.9 Ų66.930%0.29636%0.362SS..G310 helixtrans-94.411-179.3-54.8-17377.100114.3E246 D250 M251 L259 I263E246-M248 PolarHBondContact O-N 3.25Å; M248-D250 PolarHBondContact O-N 2.96Å; M248-D250 VanDerWaalsContact O-N 3.13Å; M248-M251 HydrophobicContact CB-CG 4.49Å; M248-M251 HydrophobicContact CB-SD 4.44Å; M248-M251 HydrophobicContact CE-SD 3.4Å; M248-M251 WeakPolarHBondContact CE-SD 3.39Å; M248-M251 HydrophobicContact CG-SD 4.43Å; M248-M251 PolarHBondContact O-N 2.83Å; M248-L259 HydrophobicContact CE-CD1 4.03Å; M248-L259 HydrophobicContact CE-CD2 3.64Å; M248-L259 HydrophobicContact CE-CG 4.11Å; M248-I263 HydrophobicContact CE-CD1 4.28Å; M248-I263 HydrophobicContact SD-CD1 3.71Å; M248-I263 HydrophobicContact SD-CG1 4.05Å
249R55.4Low56.4Low178 Ų17868.6 Ų68.667%0.67237%0.372SS*.THydrogen-bonded Turntrans-56.5-31.5-175178.6176.2166.3178.4-4.5113E246E246-R249 WeakPolarHBondContact O-CB 3.42Å; E246-R249 PolarHBondContact O-N 2.67Å
250D50.2Low54.1Low87 Ų8776 Ų7647%0.46540%0.399SS..THydrogen-bonded Turntrans-92.61.4-177.7-61.6-30.4000113.9L139 Q140 M248 T252L139-D250 HydrophobicContact CD2-CB 4.2Å; L139-D250 WeakPolarHBondContact CD2-OD2 3.5Å; Q140-D250 WeakPolarHBondContact CB-O 3.13Å; M248-D250 PolarHBondContact O-N 2.96Å; M248-D250 VanDerWaalsContact O-N 3.13Å; D250-T252 PolarHBondContact O-N 2.96Å; D250-T252 VanDerWaalsContact O-N 3.15Å
251M51.4Low51.6Low20 Ų2080.6 Ų80.610%0.09942%0.422CS..  trans-86.874.8177.5-62.3-164.885.200111.6I138 A206 L207 M248 F254I138-M251 HydrophobicContact CD1-CE 3.96Å; I138-M251 HydrophobicContact CD1-SD 3.81Å; I138-M251 HydrophobicContact CG1-SD 4.43Å; I138-M251 HydrophobicContact CG2-CG 4.36Å; I138-M251 HydrophobicContact CG2-SD 4.17Å; A206-M251 HydrophobicContact CB-CE 4.38Å; L207-M251 HydrophobicContact CD2-CE 4.28Å; M248-M251 HydrophobicContact CB-CG 4.49Å; M248-M251 HydrophobicContact CB-SD 4.44Å; M248-M251 HydrophobicContact CE-SD 3.4Å; M248-M251 WeakPolarHBondContact CE-SD 3.39Å; M248-M251 HydrophobicContact CG-SD 4.43Å; M248-M251 PolarHBondContact O-N 2.83Å; M251-F254 HydrophobicContact CE-CD2 3.25Å; M251-F254 HydrophobicContact CE-CE2 3.2Å; M251-F254 HydrophobicContact CE-CG 4.23Å; M251-F254 HydrophobicContact CE-CZ 4.16Å
252T50.5Low50.1Low121 Ų12184.4 Ų84.474%0.74244%0.439SS*.  trans-79.8-18.3-179.1550000114.1D250D250-T252 PolarHBondContact O-N 2.96Å; D250-T252 VanDerWaalsContact O-N 3.15Å
253S50.5Low49.3Very low86 Ų8682.2 Ų82.260%0.60143%0.428SS*.SBendtrans-105-4-169-51.30000116.2
254F48.8Very low48.6Very low62 Ų6290.3 Ų90.327%0.27246%0.456SS..SBendtrans-66.5145.8170.3-101-102.3000109.9L207 M251 S256 L259L207-F254 HydrophobicContact CD1-CE1 3.9Å; L207-F254 HydrophobicContact CD1-CE2 4.31Å; L207-F254 HydrophobicContact CD1-CZ 3.36Å; L207-F254 HydrophobicContact CD2-CZ 4.5Å; L207-F254 HydrophobicContact CG-CE2 4.22Å; L207-F254 HydrophobicContact CG-CZ 3.74Å; M251-F254 HydrophobicContact CE-CD2 3.25Å; M251-F254 HydrophobicContact CE-CE2 3.2Å; M251-F254 HydrophobicContact CE-CG 4.23Å; M251-F254 HydrophobicContact CE-CZ 4.16Å; F254-S256 VanDerWaalsContact C-N 3.33Å; F254-S256 VanDerWaalsContact O-CA 3.28Å; F254-S256 WeakPolarHBondContact O-CA 2.97Å; F254-S256 PolarHBondContact O-N 2.82Å; F254-L259 HydrophobicContact CB-CB 4.43Å; F254-L259 HydrophobicContact CB-CD2 3.35Å; F254-L259 HydrophobicContact CD1-CD2 3.87Å; F254-L259 HydrophobicContact CG-CD2 3.66Å
255P48.2Very low48.1Very low96 Ų9691.8 Ų91.862%0.62347%0.468SS*.  trans-54100.9175.7-19.629.5000108.7N257 I258 L259P255-N257 PolarHBondContact O-N 3.38Å; P255-I258 PolarHBondContact O-N 3.49Å; P255-L259 PolarHBondContact O-N 3.43Å
256S50.9Low48.1Very low57 Ų5791.6 Ų91.640%0.39947%0.471SS..Hα-helixtrans-65.3-23.3-155.560.90000111.7F254 R260F254-S256 VanDerWaalsContact C-N 3.33Å; F254-S256 VanDerWaalsContact O-CA 3.28Å; F254-S256 WeakPolarHBondContact O-CA 2.97Å; F254-S256 PolarHBondContact O-N 2.82Å; S256-R260 WeakPolarHBondContact O-CA 3.19Å; S256-R260 WeakPolarHBondContact O-CB 3.43Å; S256-R260 WeakPolarHBondContact O-CD 3.36Å; S256-R260 WeakPolarHBondContact O-CG 3.47Å; S256-R260 PolarHBondContact O-N 3.46Å
257N44.8Very low48.3Very low126 Ų12691.7 Ų91.767%0.67447%0.47SS*.Hα-helixtrans-77-47.2-174.1-64.9-19.5000113.1P255 L261P255-N257 PolarHBondContact O-N 3.38Å; N257-L261 WeakPolarHBondContact O-CB 3.32Å; N257-L261 PolarHBondContact O-N 2.94Å
258I45.4Very low49.1Very low119 Ų11990.8 Ų90.861%0.6146%0.464SS*.Hα-helixtrans-74.2-40-179.1-66.3170.3000109.9P255 L261 I262P255-I258 PolarHBondContact O-N 3.49Å; I258-L261 PolarHBondContact O-N 3.27Å; I258-I262 HydrophobicContact CG2-CD1 3.74Å; I258-I262 HydrophobicContact CG2-CG1 4.35Å; I258-I262 WeakPolarHBondContact O-CB 3.47Å; I258-I262 VanDerWaalsContact O-CG1 3.24Å; I258-I262 WeakPolarHBondContact O-CG1 3.47Å; I258-I262 PolarHBondContact O-N 3.13Å
259L46.6Very low50.5Low37 Ų3791.2 Ų91.219%0.19447%0.47CS..Hα-helixtrans-68.2-44.3176.5-170.164.1000111.4M248 F254 P255 L261 I262 I263M248-L259 HydrophobicContact CE-CD1 4.03Å; M248-L259 HydrophobicContact CE-CD2 3.64Å; M248-L259 HydrophobicContact CE-CG 4.11Å; F254-L259 HydrophobicContact CB-CB 4.43Å; F254-L259 HydrophobicContact CB-CD2 3.35Å; F254-L259 HydrophobicContact CD1-CD2 3.87Å; F254-L259 HydrophobicContact CG-CD2 3.66Å; P255-L259 PolarHBondContact O-N 3.43Å; L259-L261 PolarHBondContact O-N 3.47Å; L259-I262 PolarHBondContact O-N 3.36Å; L259-I263 HydrophobicContact CD1-CD1 4.49Å; L259-I263 HydrophobicContact CD2-CD1 4.49Å; L259-I263 HydrophobicContact CG-CD1 3.86Å; L259-I263 HydrophobicContact CG-CG1 4.41Å; L259-I263 VanDerWaalsContact O-CB 3.26Å; L259-I263 WeakPolarHBondContact O-CB 3.41Å; L259-I263 WeakPolarHBondContact O-CD1 3.42Å; L259-I263 WeakPolarHBondContact O-CG1 3.42Å; L259-I263 PolarHBondContact O-N 2.88Å
260R44.1Very low52.1Low169 Ų16984.2 Ų84.264%0.63845%0.448SS*.Hα-helixtrans-61.5-33.8171.6-79.4175173.8-178.5-1.5112S256 R264S256-R260 WeakPolarHBondContact O-CA 3.19Å; S256-R260 WeakPolarHBondContact O-CB 3.43Å; S256-R260 WeakPolarHBondContact O-CD 3.36Å; S256-R260 WeakPolarHBondContact O-CG 3.47Å; S256-R260 PolarHBondContact O-N 3.46Å; R260-R264 WeakPolarHBondContact O-CA 3.5Å; R260-R264 WeakPolarHBondContact O-CB 3.23Å; R260-R264 PolarHBondContact O-N 3.15Å
261L37.4Very low54.2Low107 Ų10781.3 Ų81.356%0.5643%0.431SS*.Hα-helixtrans-71.3-41.6177.9-169.371.6000111.1N257 I258 L259 R264 T265N257-L261 WeakPolarHBondContact O-CB 3.32Å; N257-L261 PolarHBondContact O-N 2.94Å; I258-L261 PolarHBondContact O-N 3.27Å; L259-L261 PolarHBondContact O-N 3.47Å; L261-R264 CarbonylContact O-C 3.59Å; L261-R264 PolarHBondContact O-N 2.97Å; L261-T265 HydrophobicContact CD1-CG2 4.24Å; L261-T265 HydrophobicContact CG-CG2 4.4Å; L261-T265 WeakPolarHBondContact O-CB 3.47Å; L261-T265 WeakPolarHBondContact O-CG2 3.37Å; L261-T265 PolarHBondContact O-N 2.68Å; L261-T265 PolarHBondContact O-OG1 3.01Å
262I43.8Very low56.1Low91 Ų9184.5 Ų84.547%0.46744%0.444SS..Hα-helixtrans-66.5-44.3174.8-69.1167.9000110.3I258 L259 R264 A266I258-I262 HydrophobicContact CG2-CD1 3.74Å; I258-I262 HydrophobicContact CG2-CG1 4.35Å; I258-I262 WeakPolarHBondContact O-CB 3.47Å; I258-I262 VanDerWaalsContact O-CG1 3.24Å; I258-I262 WeakPolarHBondContact O-CG1 3.47Å; I258-I262 PolarHBondContact O-N 3.13Å; L259-I262 PolarHBondContact O-N 3.36Å; I262-R264 VanDerWaalsContact C-N 3.31Å; I262-R264 PolarHBondContact O-N 3.11Å; I262-A266 WeakPolarHBondContact O-CB 3.46Å; I262-A266 PolarHBondContact O-N 3.43Å; I262-A266 VanDerWaalsContact O-N 3.1Å
263I46.3Very low58.1Low44 Ų4478.7 Ų78.723%0.22641%0.409CS..Hα-helixtrans-55.5-50.5169.8-69.2166000108.2M248 L259 T265 F267M248-I263 HydrophobicContact CE-CD1 4.28Å; M248-I263 HydrophobicContact SD-CD1 3.71Å; M248-I263 HydrophobicContact SD-CG1 4.05Å; L259-I263 HydrophobicContact CD1-CD1 4.49Å; L259-I263 HydrophobicContact CD2-CD1 4.49Å; L259-I263 HydrophobicContact CG-CD1 3.86Å; L259-I263 HydrophobicContact CG-CG1 4.41Å; L259-I263 VanDerWaalsContact O-CB 3.26Å; L259-I263 WeakPolarHBondContact O-CB 3.41Å; L259-I263 WeakPolarHBondContact O-CD1 3.42Å; L259-I263 WeakPolarHBondContact O-CG1 3.42Å; L259-I263 PolarHBondContact O-N 2.88Å; I263-T265 PolarHBondContact O-N 3.32Å; I263-F267 VanDerWaalsContact C-CE1 3.47Å; I263-F267 HydrophobicContact CG2-CE1 3.56Å; I263-F267 HydrophobicContact CG2-CZ 4.04Å; I263-F267 WeakPolarHBondContact O-CD1 3.45Å; I263-F267 WeakPolarHBondContact O-CE1 3.21Å; I263-F267 WeakPolarHBondContact O-CG 3.25Å; I263-F267 WeakPolarHBondContact O-CZ 3.13Å
264R41.9Very low60.2Low189 Ų18974.6 Ų74.671%0.71338%0.38SS*.Hα-helixtrans-65.5-33.6-176.6-95.6-172.7152.6179.7-5.1116.3R260 L261 I262 F267R260-R264 WeakPolarHBondContact O-CA 3.5Å; R260-R264 WeakPolarHBondContact O-CB 3.23Å; R260-R264 PolarHBondContact O-N 3.15Å; L261-R264 CarbonylContact O-C 3.59Å; L261-R264 PolarHBondContact O-N 2.97Å; I262-R264 VanDerWaalsContact C-N 3.31Å; I262-R264 PolarHBondContact O-N 3.11Å; R264-F267 VanDerWaalsContact CA-CZ 3.43Å; R264-F267 HydrophobicContact CB-CE2 3.98Å; R264-F267 HydrophobicContact CB-CZ 4.24Å; R264-F267 HydrophobicContact CG-CE2 3.69Å; R264-F267 HydrophobicContact CG-CZ 3.84Å; R264-F267 WeakPolarHBondContact O-CD2 3.18Å; R264-F267 VanDerWaalsContact O-CE2 3.26Å; R264-F267 WeakPolarHBondContact O-CE2 2.83Å
265T42.2Very low62.5Low108 Ų10871.7 Ų71.766%0.66337%0.367SS*.Hα-helixtrans-100.6-17.5-170.654.20000112.9L261 I263L261-T265 HydrophobicContact CD1-CG2 4.24Å; L261-T265 HydrophobicContact CG-CG2 4.4Å; L261-T265 WeakPolarHBondContact O-CB 3.47Å; L261-T265 WeakPolarHBondContact O-CG2 3.37Å; L261-T265 PolarHBondContact O-N 2.68Å; L261-T265 PolarHBondContact O-OG1 3.01Å; I263-T265 PolarHBondContact O-N 3.32Å
266A51.3Low64.8Low37 Ų3767.1 Ų67.131%0.30634%0.337SS..SBendtrans-92.59.8176.800000114.3I242 I262 T268I242-A266 HydrophobicContact CB-CB 4.18Å; I242-A266 HydrophobicContact CD1-CB 4.23Å; I242-A266 HydrophobicContact CG2-CB 3.74Å; I262-A266 WeakPolarHBondContact O-CB 3.46Å; I262-A266 PolarHBondContact O-N 3.43Å; I262-A266 VanDerWaalsContact O-N 3.1Å; A266-T268 PolarHBondContact O-N 3.13Å
267F58.3Low67.1Low88 Ų8864.4 Ų64.439%0.38632%0.318SS..  trans-59.5103.8-166.7-75.8-39000115.1N244 I263 R264N244-F267 HydrophobicContact CB-CD1 3.34Å; N244-F267 HydrophobicContact CB-CE1 3.36Å; N244-F267 HydrophobicContact CB-CG 4.37Å; N244-F267 HydrophobicContact CB-CZ 4.36Å; N244-F267 WeakPolarHBondContact ND2-CE1 2.84Å; N244-F267 WeakPolarHBondContact ND2-CZ 3.26Å; N244-F267 VanDerWaalsContact OD1-CE1 3.25Å; N244-F267 WeakPolarHBondContact OD1-CE1 3.43Å; I263-F267 VanDerWaalsContact C-CE1 3.47Å; I263-F267 HydrophobicContact CG2-CE1 3.56Å; I263-F267 HydrophobicContact CG2-CZ 4.04Å; I263-F267 WeakPolarHBondContact O-CD1 3.45Å; I263-F267 WeakPolarHBondContact O-CE1 3.21Å; I263-F267 WeakPolarHBondContact O-CG 3.25Å; I263-F267 WeakPolarHBondContact O-CZ 3.13Å; R264-F267 VanDerWaalsContact CA-CZ 3.43Å; R264-F267 HydrophobicContact CB-CE2 3.98Å; R264-F267 HydrophobicContact CB-CZ 4.24Å; R264-F267 HydrophobicContact CG-CE2 3.69Å; R264-F267 HydrophobicContact CG-CZ 3.84Å; R264-F267 WeakPolarHBondContact O-CD2 3.18Å; R264-F267 VanDerWaalsContact O-CE2 3.26Å; R264-F267 WeakPolarHBondContact O-CE2 2.83Å
268T67.5Low69.7Low24 Ų2458.4 Ų58.415%0.14729%0.286CS..BIsolated β-bridgetrans-88.7142.2149.659.60000109.7R13 I242 V243 N244 A266R13-T268 HydrophobicContact CG-CG2 4.33Å; I242-T268 PolarHBondContact O-N 3.33Å; I242-T268 PolarHBondContact O-OG1 3.26Å; V243-T268 WeakPolarHBondContact CG2-OG1 3.44Å; N244-T268 PolarHBondContact N-O 3.02Å; A266-T268 PolarHBondContact O-N 3.13Å
269T86Confident72.2Confident69 Ų6953.9 Ų53.942%0.42326%0.262SS..  trans-67.8153173.861.90000109.7W271 K272 G273T269-W271 PolarHBondContact O-N 3.02Å; T269-K272 CarbonylContact O-C 3.6Å; T269-K272 WeakPolarHBondContact O-CA 3.38Å; T269-K272 WeakPolarHBondContact O-CB 3.36Å; T269-K272 PolarHBondContact O-N 3.26Å; T269-K272 WeakPolarHBondContact OG1-CG 3.49Å; T269-K272 PolarHBondContact OG1-N 2.76Å; T269-G273 PolarHBondContact O-N 3.08Å
270P88.2Confident74.7Confident32 Ų3252.1 Ų52.121%0.20825%0.253CS..Hα-helixtrans-51.4-38.3172.4-3138.5000114.1V243 G273 A274V243-P270 HydrophobicContact CG1-CB 4.22Å; V243-P270 HydrophobicContact CG1-CG 3.98Å; P270-G273 CarbonylContact O-C 3.59Å; P270-G273 WeakPolarHBondContact O-CA 3.45Å; P270-G273 PolarHBondContact O-N 3.37Å; P270-A274 PolarHBondContact O-N 3.07Å
271W93.7Very high77.3Confident25 Ų2544.1 Ų44.110%0.09522%0.222CC..Hα-helixtrans-57.6-49.2171177.476.6000113.3L15 H39 D83 A85 T269 G273 A274 Q275L15-W271 HydrophobicContact CD1-CH2 3.91Å; L15-W271 HydrophobicContact CD1-CZ3 4.27Å; L15-W271 HydrophobicContact CD2-CH2 4.15Å; L15-W271 HydrophobicContact CD2-CZ3 4.01Å; H39-W271 HydrophobicContact CB-CB 4.38Å; H39-W271 PolarHBondContact CD2-N 2.9Å; H39-W271 VanDerWaalsContact CD2-N 3.27Å; H39-W271 AromaticContact ND1-CD1 3.83Å; D83-W271 HydrophobicContact CB-CD2 4.43Å; D83-W271 HydrophobicContact CB-CG 4.16Å; D83-W271 VanDerWaalsContact CG-CD1 3.45Å; D83-W271 WeakPolarHBondContact O-CZ2 3.21Å; D83-W271 PolarHBondContact O-NE1 3.13Å; D83-W271 VanDerWaalsContact O-NE1 3.11Å; A85-W271 HydrophobicContact CB-CH2 4.41Å; A85-W271 HydrophobicContact CB-CZ2 4.28Å; T269-W271 PolarHBondContact O-N 3.02Å; W271-G273 PolarHBondContact O-N 3.04Å; W271-A274 PolarHBondContact O-N 3.48Å; W271-Q275 PolarHBondContact O-NE2 3.47Å
272K92.3Very high80.1Confident87 Ų8739 Ų3938%0.37820%0.196SC..Hα-helixtrans-61.2-35.2173.6-74.7-178.4-178174.20110.7R13 L15 T269 Q275R13-K272 PolarHBondContact NE-O 2.96Å; R13-K272 PolarHBondContact NH2-O 3.12Å; L15-K272 HydrophobicContact CD2-CG 4.21Å; T269-K272 CarbonylContact O-C 3.6Å; T269-K272 WeakPolarHBondContact O-CA 3.38Å; T269-K272 WeakPolarHBondContact O-CB 3.36Å; T269-K272 PolarHBondContact O-N 3.26Å; T269-K272 WeakPolarHBondContact OG1-CG 3.49Å; T269-K272 PolarHBondContact OG1-N 2.76Å; K272-Q275 WeakPolarHBondContact O-CB 3.38Å; K272-Q275 VanDerWaalsContact O-CG 3.29Å; K272-Q275 WeakPolarHBondContact O-CG 3.4Å; K272-Q275 PolarHBondContact O-N 3.1Å
273G91.2Very high82.7Confident0 Ų034.7 Ų34.70%017%0.173CC..Hα-helixtrans-59.1-40.5175.900000114R13 P240 T269 P270 W271 Q275R13-G273 PolarHBondContact NH2-O 3.3Å; P240-G273 WeakPolarHBondContact O-CA 3.4Å; T269-G273 PolarHBondContact O-N 3.08Å; P270-G273 CarbonylContact O-C 3.59Å; P270-G273 WeakPolarHBondContact O-CA 3.45Å; P270-G273 PolarHBondContact O-N 3.37Å; W271-G273 PolarHBondContact O-N 3.04Å; G273-Q275 PolarHBondContact O-N 3.43Å
274A95.9Very high84.9Confident0 Ų039.8 Ų39.80%020%0.197CC..Hα-helixtrans-67.4-18.6179.300000114.2I36 H39 T40 P270 W271 T276 T277 L278I36-A274 HydrophobicContact CG2-CB 4.26Å; H39-A274 HydrophobicContact CB-CB 3.98Å; T40-A274 WeakPolarHBondContact OG1-CB 3.1Å; P270-A274 PolarHBondContact O-N 3.07Å; W271-A274 PolarHBondContact O-N 3.48Å; A274-T276 PolarHBondContact O-N 3.3Å; A274-T277 WeakPolarHBondContact O-CA 3.49Å; A274-T277 VanDerWaalsContact O-CB 3.31Å; A274-T277 WeakPolarHBondContact O-CB 3.13Å; A274-T277 PolarHBondContact O-N 3.2Å; A274-L278 HydrophobicContact CB-CD1 4.09Å; A274-L278 WeakPolarHBondContact O-CG 3.25Å; A274-L278 PolarHBondContact O-N 2.66Å
275Q97.1Very high87.2Confident0 Ų036.4 Ų36.40%019%0.193CC..Hα-helixtrans-61.1-37.6-170.9-62.6-61.8-5300114.1L15 W271 K272 G273 Y279L15-Q275 HydrophobicContact CD2-CG 3.81Å; W271-Q275 PolarHBondContact O-NE2 3.47Å; K272-Q275 WeakPolarHBondContact O-CB 3.38Å; K272-Q275 VanDerWaalsContact O-CG 3.29Å; K272-Q275 WeakPolarHBondContact O-CG 3.4Å; K272-Q275 PolarHBondContact O-N 3.1Å; G273-Q275 PolarHBondContact O-N 3.43Å; Q275-Y279 VanDerWaalsContact O-CB 3.31Å; Q275-Y279 WeakPolarHBondContact O-CB 3.39Å; Q275-Y279 PolarHBondContact O-N 3.03Å
276T96.9Very high89.8Confident0 Ų032.2 Ų32.20%017%0.166CC..Hα-helixtrans-68-39.2174.7-51.10000110.9L238 H239 A274 Y279 T280 N294L238-T276 HydrophobicContact CB-CG2 3.8Å; L238-T276 HydrophobicContact CD1-CG2 4.24Å; L238-T276 HydrophobicContact CD2-CG2 4.25Å; L238-T276 HydrophobicContact CG-CG2 4.33Å; H239-T276 PolarHBondContact O-OG1 2.82Å; A274-T276 PolarHBondContact O-N 3.3Å; T276-Y279 WeakPolarHBondContact O-CB 3.45Å; T276-Y279 PolarHBondContact O-N 3.35Å; T276-T280 WeakPolarHBondContact O-CG2 3.35Å; T276-T280 PolarHBondContact O-N 3.33Å; T276-T280 PolarHBondContact O-OG1 3.06Å; T276-N294 PolarHBondContact OG1-N 2.73Å
277T98.5Very high92Very high0 Ų034.2 Ų34.20%017%0.171CC..Hα-helixtrans-61.6-47.1175.5-500000111.2T40 I132 I180 L238 A274 Y279 T280 A281T40-T277 HydrophobicContact CG2-CG2 3.68Å; I132-T277 HydrophobicContact CG2-CG2 3.72Å; I180-T277 HydrophobicContact CG2-CG2 4.09Å; L238-T277 VanDerWaalsContact CD2-CA 3.46Å; L238-T277 HydrophobicContact CD2-CG2 4.41Å; A274-T277 WeakPolarHBondContact O-CA 3.49Å; A274-T277 VanDerWaalsContact O-CB 3.31Å; A274-T277 WeakPolarHBondContact O-CB 3.13Å; A274-T277 PolarHBondContact O-N 3.2Å; T277-Y279 PolarHBondContact O-N 3.03Å; T277-T280 WeakPolarHBondContact CA-OG1 3.4Å; T277-T280 PolarHBondContact O-N 2.95Å; T277-T280 PolarHBondContact O-OG1 2.98Å; T277-A281 PolarHBondContact O-N 3.32Å
278L98.6Very high93.9Very high0 Ų033.7 Ų33.70%018%0.176CC..Hα-helixtrans-62-43175.7-68.1162.8000111.5C16 E43 L44 A274 T280 A281 L282C16-L278 HydrophobicContact CB-CB 4.43Å; E43-L278 HydrophobicContact CB-CD1 4Å; E43-L278 HydrophobicContact CB-CD2 3.77Å; E43-L278 VanDerWaalsContact CD-CD1 3.42Å; E43-L278 HydrophobicContact CG-CD1 4.17Å; E43-L278 HydrophobicContact CG-CD2 4.04Å; E43-L278 WeakPolarHBondContact OE2-CD1 3.42Å; L44-L278 HydrophobicContact CD2-CD2 4.17Å; L44-L278 HydrophobicContact CG-CD2 4.24Å; A274-L278 HydrophobicContact CB-CD1 4.09Å; A274-L278 WeakPolarHBondContact O-CG 3.25Å; A274-L278 PolarHBondContact O-N 2.66Å; L278-T280 VanDerWaalsContact C-N 3.33Å; L278-T280 PolarHBondContact O-N 2.8Å; L278-A281 PolarHBondContact O-N 2.61Å; L278-A281 VanDerWaalsContact O-N 3.16Å; L278-L282 HydrophobicContact CB-CD1 4.32Å; L278-L282 VanDerWaalsContact O-CB 3.26Å; L278-L282 WeakPolarHBondContact O-CB 3.43Å; L278-L282 WeakPolarHBondContact O-CD1 3.19Å; L278-L282 WeakPolarHBondContact O-CG 3.43Å; L278-L282 PolarHBondContact O-N 3.38Å
279Y98.3Very high95.4Very high25 Ų2533.1 Ų33.110%0.09818%0.175CC..Hα-helixtrans-56-48.8173.9179.4-94.6000111.3E7 T8 I18 Q275 T276 T277 A281 L282 T283 Y292 C295E7-Y279 HydrophobicContact CB-CD2 4.47Å; E7-Y279 HydrophobicContact CB-CE2 3.75Å; E7-Y279 WeakPolarHBondContact OE2-CE2 3.33Å; E7-Y279 VanDerWaalsContact OE2-CZ 3.31Å; E7-Y279 PolarHBondContact OE2-OH 2.96Å; T8-Y279 HydrophobicContact CG2-CD2 3.82Å; T8-Y279 HydrophobicContact CG2-CE2 3.86Å; I18-Y279 HydrophobicContact CD1-CD2 3.85Å; I18-Y279 HydrophobicContact CD1-CE2 4.05Å; Q275-Y279 VanDerWaalsContact O-CB 3.31Å; Q275-Y279 WeakPolarHBondContact O-CB 3.39Å; Q275-Y279 PolarHBondContact O-N 3.03Å; T276-Y279 WeakPolarHBondContact O-CB 3.45Å; T276-Y279 PolarHBondContact O-N 3.35Å; T277-Y279 PolarHBondContact O-N 3.03Å; Y279-A281 VanDerWaalsContact C-N 3.3Å; Y279-A281 PolarHBondContact O-N 3.46Å; Y279-L282 PolarHBondContact O-N 3.44Å; Y279-T283 HydrophobicContact CD1-CG2 4.47Å; Y279-T283 HydrophobicContact CE1-CG2 4.1Å; Y279-T283 WeakPolarHBondContact O-CB 3.24Å; Y279-T283 VanDerWaalsContact O-CG2 3.29Å; Y279-T283 WeakPolarHBondContact O-CG2 3.41Å; Y279-T283 PolarHBondContact O-N 2.96Å; Y279-Y292 HydrophobicContact CD1-CD1 4.14Å; Y279-Y292 HydrophobicContact CD1-CE1 4.34Å; Y279-Y292 AromaticContact CE1-CD1 3.84Å; Y279-Y292 HydrophobicContact CE1-CD1 3.84Å; Y279-Y292 AromaticContact CE1-CE1 3.66Å; Y279-Y292 HydrophobicContact CE1-CE1 3.66Å; Y279-C295 HydrophobicContact CD1-CB 4.1Å; Y279-C295 HydrophobicContact CD2-CB 3.86Å; Y279-C295 HydrophobicContact CE2-CB 4.46Å; Y279-C295 HydrophobicContact CG-CB 3.67Å
280T98.5Very high96Very high0 Ų030.7 Ų30.70%016%0.16CC..Hα-helixtrans-66.3-29.3177.954.20000113.5R178 V236 L238 T276 T277 L278 L286 Y292R178-T280 WeakPolarHBondContact CD-O 3.41Å; R178-T280 PolarHBondContact NH1-O 3.07Å; V236-T280 HydrophobicContact CG2-CG2 4.14Å; L238-T280 HydrophobicContact CD2-CG2 3.99Å; L238-T280 WeakPolarHBondContact CD2-OG1 3.37Å; T276-T280 WeakPolarHBondContact O-CG2 3.35Å; T276-T280 PolarHBondContact O-N 3.33Å; T276-T280 PolarHBondContact O-OG1 3.06Å; T277-T280 WeakPolarHBondContact CA-OG1 3.4Å; T277-T280 PolarHBondContact O-N 2.95Å; T277-T280 PolarHBondContact O-OG1 2.98Å; L278-T280 VanDerWaalsContact C-N 3.33Å; L278-T280 PolarHBondContact O-N 2.8Å; T280-L286 HydrophobicContact CG2-CD1 4.15Å; T280-L286 WeakPolarHBondContact O-CD2 3.44Å; T280-Y292 HydrophobicContact CG2-CD1 4.48Å; T280-Y292 HydrophobicContact CG2-CD2 3.62Å; T280-Y292 HydrophobicContact CG2-CE2 4.19Å; T280-Y292 HydrophobicContact CG2-CG 3.77Å
281A98.6Very high96.5Very high0 Ų029.4 Ų29.40%015%0.152CC..Hα-helixtrans-75.4-29.8174.700000112.8L44 F130 R178 I180 T277 L278 Y279L44-A281 HydrophobicContact CD2-CB 4.21Å; F130-A281 HydrophobicContact CD1-CB 4.29Å; F130-A281 HydrophobicContact CE1-CB 4.33Å; F130-A281 VanDerWaalsContact CE1-O 3.27Å; F130-A281 WeakPolarHBondContact CE1-O 3.3Å; R178-A281 VanDerWaalsContact CZ-O 3.31Å; R178-A281 PolarHBondContact NH1-O 2.72Å; I180-A281 HydrophobicContact CD1-CB 3.83Å; T277-A281 PolarHBondContact O-N 3.32Å; L278-A281 PolarHBondContact O-N 2.61Å; L278-A281 VanDerWaalsContact O-N 3.16Å; Y279-A281 VanDerWaalsContact C-N 3.3Å; Y279-A281 PolarHBondContact O-N 3.46Å
282L98.2Very high96.7Very high0 Ų028.4 Ų28.40%015%0.148CC..Hα-helixtrans-106.1-31.1-167.3-62.4170.9000114.7I18 K20 L22 L278 Y279 E284I18-L282 HydrophobicContact CB-CB 4.08Å; I18-L282 HydrophobicContact CD1-CB 3.98Å; I18-L282 HydrophobicContact CG2-CB 3.91Å; K20-L282 HydrophobicContact CB-CD2 4.34Å; L22-L282 HydrophobicContact CD1-CD2 3.95Å; L22-L282 HydrophobicContact CD2-CD2 4.05Å; L22-L282 HydrophobicContact CG-CD2 4.14Å; L278-L282 HydrophobicContact CB-CD1 4.32Å; L278-L282 VanDerWaalsContact O-CB 3.26Å; L278-L282 WeakPolarHBondContact O-CB 3.43Å; L278-L282 WeakPolarHBondContact O-CD1 3.19Å; L278-L282 WeakPolarHBondContact O-CG 3.43Å; L278-L282 PolarHBondContact O-N 3.38Å; Y279-L282 PolarHBondContact O-N 3.44Å; L282-E284 PolarHBondContact O-N 3.49Å
283T96.4Very high96.8Very high0 Ų025.3 Ų25.30%014%0.137CC..  trans-60.7137.5-174.5-177.70000111.4E7 R178 Y279 N285 L286E7-T283 PolarHBondContact OE1-OG1 3.23Å; E7-T283 PolarHBondContact OE2-OG1 2.92Å; R178-T283 PolarHBondContact NH1-O 3.48Å; R178-T283 PolarHBondContact NH2-O 3Å; Y279-T283 HydrophobicContact CD1-CG2 4.47Å; Y279-T283 HydrophobicContact CE1-CG2 4.1Å; Y279-T283 WeakPolarHBondContact O-CB 3.24Å; Y279-T283 VanDerWaalsContact O-CG2 3.29Å; Y279-T283 WeakPolarHBondContact O-CG2 3.41Å; Y279-T283 PolarHBondContact O-N 2.96Å; T283-N285 VanDerWaalsContact C-N 3.27Å; T283-N285 PolarHBondContact OG1-N 2.92Å; T283-L286 HydrophobicContact CG2-CB 3.93Å; T283-L286 HydrophobicContact CG2-CD1 3.85Å
284E93Very high96.9Very high152 Ų15226.8 Ų26.871%0.7115%0.145SC*.THydrogen-bonded Turntrans-73-25.9176.7-65.6-177.8166.400111.7L282 L286L282-E284 PolarHBondContact O-N 3.49Å; E284-L286 PolarHBondContact O-N 2.95Å
285N91.3Very high96.8Very high118 Ų11827 Ų2763%0.63115%0.146SC*.THydrogen-bonded Turntrans-104.645.4-173.5-57.1-61.5000111.7T283 I287T283-N285 VanDerWaalsContact C-N 3.27Å; T283-N285 PolarHBondContact OG1-N 2.92Å; N285-I287 PolarHBondContact O-N 2.78Å
286L96.4Very high96.7Very high19 Ų1929.2 Ų29.210%0.09916%0.16CC..PPolyproline II helixtrans-70.2123.9177.4-169.170.9000109.8R178 V234 V236 T280 T283 E284 P288 Y292R178-L286 HydrophobicContact CG-CD2 4.18Å; V234-L286 HydrophobicContact CB-CD2 4.15Å; V234-L286 HydrophobicContact CG1-CB 4.48Å; V234-L286 HydrophobicContact CG1-CD2 3.57Å; V234-L286 HydrophobicContact CG1-CG 3.94Å; V236-L286 HydrophobicContact CG1-CD1 3.89Å; V236-L286 HydrophobicContact CG1-CD2 3.89Å; V236-L286 HydrophobicContact CG1-CG 3.77Å; V236-L286 HydrophobicContact CG2-CD1 4.2Å; V236-L286 HydrophobicContact CG2-CD2 4.11Å; T280-L286 HydrophobicContact CG2-CD1 4.15Å; T280-L286 WeakPolarHBondContact O-CD2 3.44Å; T283-L286 HydrophobicContact CG2-CB 3.93Å; T283-L286 HydrophobicContact CG2-CD1 3.85Å; E284-L286 PolarHBondContact O-N 2.95Å; L286-P288 WeakPolarHBondContact O-CD 3.49Å; L286-Y292 HydrophobicContact CD1-CD2 4.48Å; L286-Y292 HydrophobicContact CD1-CE2 3.62Å
287I97.6Very high96.7Very high80 Ų8033.1 Ų33.141%0.4118%0.181SC..PPolyproline II helixtrans-89.3121.4-179.2-57.6-172.3000109.5V236 N285 S290 Y292 L297V236-I287 WeakPolarHBondContact CG1-O 3.14Å; N285-I287 PolarHBondContact O-N 2.78Å; I287-S290 WeakPolarHBondContact O-CB 3.18Å; I287-S290 PolarHBondContact O-N 2.87Å; I287-S290 PolarHBondContact O-OG 3.44Å; I287-Y292 PolarHBondContact N-OH 3.39Å; I287-Y292 VanDerWaalsContact N-OH 3.16Å; I287-L297 HydrophobicContact CB-CD2 4.4Å; I287-L297 HydrophobicContact CD1-CD1 3.48Å; I287-L297 VanDerWaalsContact CD1-CD1 3.48Å; I287-L297 HydrophobicContact CD1-CD2 4.2Å; I287-L297 HydrophobicContact CD1-CG 4.46Å; I287-L297 HydrophobicContact CG1-CD1 4.43Å
288P98.2Very high96.6Very high77 Ų7738.8 Ų38.850%0.521%0.205SC..THydrogen-bonded Turntrans-55.3139.6176.7-23.532.7000113.1V234 L286 S290V234-P288 HydrophobicContact CG1-CB 4.14Å; V234-P288 HydrophobicContact CG1-CG 4.01Å; V234-P288 HydrophobicContact CG2-CG 4.32Å; L286-P288 WeakPolarHBondContact O-CD 3.49Å; P288-S290 PolarHBondContact O-N 2.84Å; P288-S290 VanDerWaalsContact O-N 3.08Å
289G98.3Very high96.5Very high11 Ų1143.9 Ų43.911%0.11324%0.237CC..THydrogen-bonded Turntrans72.1-3.8177.900000114.7I222 S225 A235I222-G289 WeakPolarHBondContact CG1-O 3.34Å; S225-G289 VanDerWaalsContact CB-N 3.3Å; S225-G289 VanDerWaalsContact OG-CA 3.28Å; S225-G289 WeakPolarHBondContact OG-CA 3.44Å; S225-G289 PolarHBondContact OG-N 2.9Å; A235-G289 WeakPolarHBondContact O-CA 3.23Å; A235-G289 PolarHBondContact O-N 3Å
290S98.5Very high96.4Very high18 Ų1844 Ų4413%0.12624%0.24CC..  trans-78.2159.2-172.767.20000113.4S237 I287 P288 Y292 L297S237-S290 PolarHBondContact N-O 3.4Å; S237-S290 VanDerWaalsContact N-O 3.1Å; I287-S290 WeakPolarHBondContact O-CB 3.18Å; I287-S290 PolarHBondContact O-N 2.87Å; I287-S290 PolarHBondContact O-OG 3.44Å; P288-S290 PolarHBondContact O-N 2.84Å; P288-S290 VanDerWaalsContact O-N 3.08Å; S290-Y292 WeakPolarHBondContact OG-CE2 3.46Å; S290-L297 VanDerWaalsContact CB-CD2 3.49Å; S290-L297 WeakPolarHBondContact OG-CD2 3.47Å
291Y98.6Very high96.3Very high6 Ų644.4 Ų44.42%0.02424%0.243CC..EExtended strand (participates in β ladder)trans-109.3127.2176.9172.7-110000110.1H187 V218 S237 H239 K298 P300H187-Y291 AromaticContact CE1-CE1 3.68Å; H187-Y291 AromaticContact CE1-CE2 3.99Å; H187-Y291 AromaticContact CE1-CZ 3.45Å; H187-Y291 VanDerWaalsContact CE1-CZ 3.45Å; H187-Y291 PolarHBondContact CE1-OH 3.06Å; H187-Y291 AromaticContact ND1-CZ 3.8Å; H187-Y291 PolarHBondContact ND1-OH 3.02Å; V218-Y291 HydrophobicContact CG2-CD2 4.08Å; V218-Y291 HydrophobicContact CG2-CE2 4.29Å; S237-Y291 CarbonylContact O-C 3.58Å; S237-Y291 VanDerWaalsContact O-CA 3.32Å; S237-Y291 WeakPolarHBondContact O-CA 3.19Å; H239-Y291 HydrophobicContact CB-CE2 4.36Å; H239-Y291 VanDerWaalsContact CB-OH 3.25Å; H239-Y291 WeakPolarHBondContact CB-OH 3.41Å; Y291-K298 HydrophobicContact CD1-CB 3.76Å; Y291-K298 HydrophobicContact CE1-CB 4.02Å; Y291-K298 PolarHBondContact O-N 2.89Å; Y291-P300 HydrophobicContact CG-CB 4.42Å
292Y98.1Very high96.2Very high3 Ų351 Ų511%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-110.5141.3-179.4-71-94.8000112.1V236 S237 L238 H239 Y279 T280 L286 I287 S290 T296 L297V236-Y292 HydrophobicContact CB-CD2 4.48Å; V236-Y292 HydrophobicContact CB-CE2 4.47Å; V236-Y292 HydrophobicContact CG1-CE2 4.15Å; S237-Y292 PolarHBondContact O-N 3.48Å; L238-Y292 CarbonylContact C-O 3.54Å; L238-Y292 WeakPolarHBondContact CA-O 3.19Å; L238-Y292 WeakPolarHBondContact CB-O 3.48Å; H239-Y292 PolarHBondContact N-O 3.35Å; Y279-Y292 HydrophobicContact CD1-CD1 4.14Å; Y279-Y292 HydrophobicContact CD1-CE1 4.34Å; Y279-Y292 AromaticContact CE1-CD1 3.84Å; Y279-Y292 HydrophobicContact CE1-CD1 3.84Å; Y279-Y292 AromaticContact CE1-CE1 3.66Å; Y279-Y292 HydrophobicContact CE1-CE1 3.66Å; T280-Y292 HydrophobicContact CG2-CD1 4.48Å; T280-Y292 HydrophobicContact CG2-CD2 3.62Å; T280-Y292 HydrophobicContact CG2-CE2 4.19Å; T280-Y292 HydrophobicContact CG2-CG 3.77Å; L286-Y292 HydrophobicContact CD1-CD2 4.48Å; L286-Y292 HydrophobicContact CD1-CE2 3.62Å; I287-Y292 PolarHBondContact N-OH 3.39Å; I287-Y292 VanDerWaalsContact N-OH 3.16Å; S290-Y292 WeakPolarHBondContact OG-CE2 3.46Å; Y292-T296 WeakPolarHBondContact CA-O 3.19Å; Y292-L297 HydrophobicContact CD1-CD2 4.24Å; Y292-L297 HydrophobicContact CD1-CG 4.37Å; Y292-L297 HydrophobicContact CE1-CD2 3.58Å; Y292-L297 HydrophobicContact CE1-CG 3.73Å; Y292-L297 HydrophobicContact CE2-CD2 3.94Å; Y292-L297 VanDerWaalsContact CZ-CD2 3.41Å
293S94.1Very high96Very high22 Ų2254.1 Ų54.115%0.15428%0.284CS..EExtended strand (participates in β ladder)trans-142.7136.8167.4-179.60000108.7C295 T296S293-C295 VanDerWaalsContact C-N 3.3Å; S293-C295 PolarHBondContact O-N 2.87Å; S293-T296 PolarHBondContact N-O 2.94Å; S293-T296 PolarHBondContact O-N 3.36Å; S293-T296 VanDerWaalsContact O-N 3.09Å
294N93.1Very high96.1Very high32 Ų3254.1 Ų54.117%0.17128%0.284CS..THydrogen-bonded Turntrans53.449-177.9-159.332.1000111.4W12 R13 K14 T276 T296W12-N294 PolarHBondContact O-ND2 2.72Å; R13-N294 WeakPolarHBondContact CA-OD1 3.22Å; K14-N294 WeakPolarHBondContact CD-O 3.29Å; K14-N294 PolarHBondContact N-OD1 3.18Å; T276-N294 PolarHBondContact OG1-N 2.73Å; N294-T296 PolarHBondContact O-N 3.31Å; N294-T296 PolarHBondContact O-OG1 3.5Å
295C94.8Very high96.2Very high3 Ų351.4 Ų51.42%0.0227%0.271CS..THydrogen-bonded Turntrans51.329.3-177.3-50.70000114.7T8 K14 Y279 S293T8-C295 HydrophobicContact CG2-CB 3.41Å; T8-C295 VanDerWaalsContact CG2-CB 3.41Å; K14-C295 HydrophobicContact CB-CB 4.18Å; Y279-C295 HydrophobicContact CD1-CB 4.1Å; Y279-C295 HydrophobicContact CD2-CB 3.86Å; Y279-C295 HydrophobicContact CE2-CB 4.46Å; Y279-C295 HydrophobicContact CG-CB 3.67Å; S293-C295 VanDerWaalsContact C-N 3.3Å; S293-C295 PolarHBondContact O-N 2.87Å
296T94.7Very high96.5Very high48 Ų4851.8 Ų51.829%0.29427%0.267SS..EExtended strand (participates in β ladder)trans-140.9145.1-177-49.30000109.5K14 Y292 S293 N294K14-T296 PolarHBondContact NZ-OG1 2.95Å; Y292-T296 WeakPolarHBondContact CA-O 3.19Å; S293-T296 PolarHBondContact N-O 2.94Å; S293-T296 PolarHBondContact O-N 3.36Å; S293-T296 VanDerWaalsContact O-N 3.09Å; N294-T296 PolarHBondContact O-N 3.31Å; N294-T296 PolarHBondContact O-OG1 3.5Å
297L96.4Very high96.5Very high82 Ų8253.6 Ų53.643%0.42928%0.279SS..EExtended strand (participates in β ladder)trans-57.4139.3172.8-70.2163.1000111.2I287 S290 Y292I287-L297 HydrophobicContact CB-CD2 4.4Å; I287-L297 HydrophobicContact CD1-CD1 3.48Å; I287-L297 VanDerWaalsContact CD1-CD1 3.48Å; I287-L297 HydrophobicContact CD1-CD2 4.2Å; I287-L297 HydrophobicContact CD1-CG 4.46Å; I287-L297 HydrophobicContact CG1-CD1 4.43Å; S290-L297 VanDerWaalsContact CB-CD2 3.49Å; S290-L297 WeakPolarHBondContact OG-CD2 3.47Å; Y292-L297 HydrophobicContact CD1-CD2 4.24Å; Y292-L297 HydrophobicContact CD1-CG 4.37Å; Y292-L297 HydrophobicContact CE1-CD2 3.58Å; Y292-L297 HydrophobicContact CE1-CG 3.73Å; Y292-L297 HydrophobicContact CE2-CD2 3.94Å; Y292-L297 VanDerWaalsContact CZ-CD2 3.41Å
298K96.3Very high96.5Very high118 Ų11856.4 Ų56.451%0.51329%0.29SS..EExtended strand (participates in β ladder)trans-138.4150.4173.6-68.3-60.9178.1-179.90110.5Y291Y291-K298 HydrophobicContact CD1-CB 3.76Å; Y291-K298 HydrophobicContact CE1-CB 4.02Å; Y291-K298 PolarHBondContact O-N 2.89Å
299T97.2Very high96.5Very high108 Ų10854.5 Ų54.566%0.66328%0.276SS*.  trans-69.5125.3171.6-52.50000109.1
300P96.8Very high96.4Very high26 Ų2654.9 Ų54.917%0.16927%0.274CS..  trans-74.4169.6175.131.3-34.8000111.3V218 I222 Y291 A304 Q305V218-P300 HydrophobicContact CG1-CB 3.55Å; V218-P300 HydrophobicContact CG1-CG 4.46Å; I222-P300 HydrophobicContact CD1-CG 4.26Å; Y291-P300 HydrophobicContact CG-CB 4.42Å; P300-A304 HydrophobicContact CB-CB 4.44Å; P300-Q305 HydrophobicContact CG-CG 4.35Å; P300-Q305 PolarHBondContact O-NE2 2.78Å
301S95.6Very high96.4Very high9 Ų959.3 Ų59.36%0.06329%0.291CS..  trans-46141171.8-177.30000113H187 Y303 A304H187-S301 PolarHBondContact NE2-N 3.22Å; S301-Y303 PolarHBondContact O-N 3.06Å; S301-Y303 WeakPolarHBondContact OG-CD2 3.4Å; S301-Y303 PolarHBondContact OG-N 2.84Å; S301-A304 WeakPolarHBondContact O-CB 3.44Å; S301-A304 PolarHBondContact O-N 2.94Å
302K96.3Very high96.3Very high139 Ų13962.8 Ų62.860%0.60430%0.304SS*.Hα-helixtrans-55.3-27.617668179.5-178.4179.10113.4A304 Q305K302-A304 PolarHBondContact O-N 3.12Å; K302-Q305 PolarHBondContact O-N 3.46Å
303Y95.3Very high96.3Very high65 Ų6562.8 Ų62.826%0.25530%0.304SS..Hα-helixtrans-70.7-17177.6-60.5-69.7000113.2R191 S301R191-Y303 PolarHBondContact NE-OH 2.85Å; S301-Y303 PolarHBondContact O-N 3.06Å; S301-Y303 WeakPolarHBondContact OG-CD2 3.4Å; S301-Y303 PolarHBondContact OG-N 2.84Å
304A97.2Very high96.5Very high0 Ų062 Ų620%030%0.298CS..Hα-helixtrans-92.9-10.1174.500000113.3L215 V218 I219 I222 P300 S301 K302 R310L215-A304 HydrophobicContact CD1-CB 4.03Å; V218-A304 HydrophobicContact CG1-CB 3.85Å; I219-A304 HydrophobicContact CG1-CB 3.78Å; I222-A304 HydrophobicContact CD1-CB 3.84Å; I222-A304 WeakPolarHBondContact CD1-O 3.12Å; P300-A304 HydrophobicContact CB-CB 4.44Å; S301-A304 WeakPolarHBondContact O-CB 3.44Å; S301-A304 PolarHBondContact O-N 2.94Å; K302-A304 PolarHBondContact O-N 3.12Å; A304-R310 VanDerWaalsContact O-CD 3.26Å; A304-R310 WeakPolarHBondContact O-CD 3.24Å; A304-R310 WeakPolarHBondContact O-CG 2.95Å; A304-R310 PolarHBondContact O-NH1 3.47Å; A304-R310 VanDerWaalsContact O-NH1 3.08Å
305Q95.7Very high96.6Very high95 Ų9564.9 Ų64.944%0.44431%0.313SS..Hα-helixtrans-88.4-26.4-170.2-64178.427.200113.7P300 K302 V307 R310P300-Q305 HydrophobicContact CG-CG 4.35Å; P300-Q305 PolarHBondContact O-NE2 2.78Å; K302-Q305 PolarHBondContact O-N 3.46Å; Q305-V307 PolarHBondContact O-N 2.95Å; Q305-R310 VanDerWaalsContact C-NH1 3.26Å; Q305-R310 PolarHBondContact O-NH1 3.22Å
306K97Very high96.8Very high127 Ų12766 Ų6655%0.55232%0.318SS*.  trans-74121.6-178.9-68.4179.1173.5-171.40111.3E308 D309 R310K306-E308 PolarHBondContact O-N 2.87Å; K306-D309 HydrophobicContact CB-CB 4.04Å; K306-D309 WeakPolarHBondContact CD-OD2 3.26Å; K306-D309 PolarHBondContact O-N 2.89Å; K306-R310 WeakPolarHBondContact O-CG 3.43Å; K306-R310 PolarHBondContact O-N 3.02Å; K306-R310 VanDerWaalsContact O-N 3.13Å
307V97.7Very high97Very high57 Ų5763.7 Ų63.735%0.34530%0.304SS..Hα-helixtrans-63-42.8-174.6179.30000111.3Q305 D309 R310 K311Q305-V307 PolarHBondContact O-N 2.95Å; V307-D309 PolarHBondContact O-N 3.26Å; V307-R310 PolarHBondContact O-N 3.31Å; V307-K311 HydrophobicContact CG1-CD 4.08Å; V307-K311 HydrophobicContact CG1-CG 4.43Å; V307-K311 WeakPolarHBondContact O-CG 3.13Å; V307-K311 PolarHBondContact O-N 2.83Å
308E97Very high97.1Very high138 Ų13860.2 Ų60.265%0.64529%0.286SS*.Hα-helixtrans-65.8-41.7-176.9-59.668.9-147.400111K306 K311 W312K306-E308 PolarHBondContact O-N 2.87Å; E308-K311 PolarHBondContact O-N 3.35Å; E308-W312 VanDerWaalsContact O-CB 3.32Å; E308-W312 WeakPolarHBondContact O-CB 3.04Å; E308-W312 PolarHBondContact O-N 3.48Å
309D97Very high97.1Very high38 Ų3860.6 Ų60.620%0.20329%0.29CS..Hα-helixtrans-64.6-40.9176.4-76.4-27.3000110.9I192 K306 V307 F313I192-D309 HydrophobicContact CD1-CB 3.8Å; K306-D309 HydrophobicContact CB-CB 4.04Å; K306-D309 WeakPolarHBondContact CD-OD2 3.26Å; K306-D309 PolarHBondContact O-N 2.89Å; V307-D309 PolarHBondContact O-N 3.26Å; D309-F313 WeakPolarHBondContact O-CB 3.25Å; D309-F313 PolarHBondContact O-N 3.25Å
310R97.3Very high97.2Very high18 Ų1857.5 Ų57.57%0.06827%0.269CS..Hα-helixtrans-65.2-46.1176.2-68.5-159-57.3-83.84112.8I219 I222 E223 A304 Q305 K306 V307 W312 F313 W314I219-R310 HydrophobicContact CG2-CB 4.28Å; I219-R310 HydrophobicContact CG2-CG 4Å; I222-R310 VanDerWaalsContact CG2-NE 3.33Å; E223-R310 HydrophobicContact CB-CB 4.33Å; E223-R310 HydrophobicContact CG-CB 4.45Å; E223-R310 WeakPolarHBondContact OE2-CB 3.49Å; E223-R310 IonicContact OE2-NE 2.78Å; E223-R310 PolarHBondContact OE2-NE 3.08Å; A304-R310 VanDerWaalsContact O-CD 3.26Å; A304-R310 WeakPolarHBondContact O-CD 3.24Å; A304-R310 WeakPolarHBondContact O-CG 2.95Å; A304-R310 PolarHBondContact O-NH1 3.47Å; A304-R310 VanDerWaalsContact O-NH1 3.08Å; Q305-R310 VanDerWaalsContact C-NH1 3.26Å; Q305-R310 PolarHBondContact O-NH1 3.22Å; K306-R310 WeakPolarHBondContact O-CG 3.43Å; K306-R310 PolarHBondContact O-N 3.02Å; K306-R310 VanDerWaalsContact O-N 3.13Å; V307-R310 PolarHBondContact O-N 3.31Å; R310-W312 VanDerWaalsContact C-N 3.33Å; R310-W312 PolarHBondContact O-N 2.82Å; R310-F313 WeakPolarHBondContact O-CB 3.45Å; R310-F313 PolarHBondContact O-N 3.36Å; R310-W314 WeakPolarHBondContact O-CB 3.35Å; R310-W314 PolarHBondContact O-N 2.68Å
311K97.2Very high97.2Very high111 Ų11156.4 Ų56.448%0.48326%0.262SS..Hα-helixtrans-61.2-43.1177.2-74.6-179.4177.5-176.60111.6E223 V307 E308 W314 N315E223-K311 WeakPolarHBondContact OE1-CG 3.38Å; V307-K311 HydrophobicContact CG1-CD 4.08Å; V307-K311 HydrophobicContact CG1-CG 4.43Å; V307-K311 WeakPolarHBondContact O-CG 3.13Å; V307-K311 PolarHBondContact O-N 2.83Å; E308-K311 PolarHBondContact O-N 3.35Å; K311-W314 PolarHBondContact O-N 3.26Å; K311-N315 WeakPolarHBondContact O-CB 3.46Å; K311-N315 VanDerWaalsContact O-CG 3.27Å; K311-N315 PolarHBondContact O-N 3.44Å; K311-N315 PolarHBondContact O-ND2 3.34Å
312W97.1Very high97.3Very high80 Ų8063.1 Ų63.130%0.30330%0.297SS..Hα-helixtrans-62.4-46.6174.7-179.785.3000111.4I192 K194 L197 E308 R310 W314 N315 K316I192-W312 HydrophobicContact CG2-CE3 4.22Å; I192-W312 HydrophobicContact CG2-CZ3 3.72Å; K194-W312 HydrophobicContact CB-CH2 4.03Å; K194-W312 HydrophobicContact CB-CZ2 4.46Å; K194-W312 HydrophobicContact CD-CH2 3.87Å; K194-W312 HydrophobicContact CD-CZ2 4Å; K194-W312 HydrophobicContact CD-CZ3 4.1Å; K194-W312 HydrophobicContact CG-CH2 3.5Å; K194-W312 VanDerWaalsContact CG-CH2 3.5Å; K194-W312 HydrophobicContact CG-CZ2 4.08Å; K194-W312 HydrophobicContact CG-CZ3 3.8Å; L197-W312 HydrophobicContact CD2-CE3 4.31Å; L197-W312 HydrophobicContact CD2-CH2 3.64Å; L197-W312 HydrophobicContact CD2-CZ3 3.3Å; E308-W312 VanDerWaalsContact O-CB 3.32Å; E308-W312 WeakPolarHBondContact O-CB 3.04Å; E308-W312 PolarHBondContact O-N 3.48Å; R310-W312 VanDerWaalsContact C-N 3.33Å; R310-W312 PolarHBondContact O-N 2.82Å; W312-W314 VanDerWaalsContact C-N 3.34Å; W312-W314 PolarHBondContact O-N 2.98Å; W312-N315 PolarHBondContact O-N 3.13Å; W312-K316 HydrophobicContact CH2-CB 4.4Å; W312-K316 HydrophobicContact CH2-CG 4.19Å; W312-K316 HydrophobicContact CZ2-CB 4.34Å; W312-K316 HydrophobicContact CZ2-CG 4.2Å; W312-K316 WeakPolarHBondContact O-CB 3.29Å; W312-K316 PolarHBondContact O-N 2.62Å
313F98Very high97.2Very high3 Ų358 Ų581%0.01328%0.276CS..Hα-helixtrans-59.6-44178.8-168.8-88.8000112Y157 I192 L197 A216 I219 D309 R310 T317Y157-F313 HydrophobicContact CD1-CZ 4.47Å; Y157-F313 AromaticContact CE1-CE1 3.63Å; Y157-F313 HydrophobicContact CE1-CE1 3.63Å; Y157-F313 AromaticContact CE1-CZ 3.86Å; Y157-F313 HydrophobicContact CE1-CZ 3.86Å; Y157-F313 HydrophobicContact CE2-CE1 4.05Å; Y157-F313 AromaticContact CZ-CE1 3.34Å; Y157-F313 WeakPolarHBondContact OH-CE1 3.12Å; I192-F313 HydrophobicContact CG1-CD2 4.23Å; I192-F313 HydrophobicContact CG2-CD2 4.06Å; L197-F313 HydrophobicContact CB-CE2 4.16Å; L197-F313 HydrophobicContact CD1-CD1 4.48Å; L197-F313 HydrophobicContact CD1-CD2 4.12Å; L197-F313 HydrophobicContact CD1-CE1 4.41Å; L197-F313 HydrophobicContact CD1-CE2 4Å; L197-F313 HydrophobicContact CD1-CG 4.33Å; L197-F313 HydrophobicContact CD1-CZ 4.12Å; L197-F313 HydrophobicContact CD2-CD2 3.53Å; L197-F313 HydrophobicContact CD2-CE2 3.67Å; L197-F313 HydrophobicContact CD2-CG 4.32Å; L197-F313 HydrophobicContact CG-CD2 4.36Å; L197-F313 HydrophobicContact CG-CE2 4.16Å; A216-F313 HydrophobicContact CB-CE1 3.89Å; A216-F313 HydrophobicContact CB-CZ 3.49Å; A216-F313 VanDerWaalsContact CB-CZ 3.49Å; I219-F313 HydrophobicContact CB-CD1 4.34Å; I219-F313 HydrophobicContact CB-CE1 4.47Å; I219-F313 HydrophobicContact CD1-CD2 4.28Å; I219-F313 HydrophobicContact CD1-CE2 4.43Å; I219-F313 HydrophobicContact CD1-CG 4.42Å; I219-F313 HydrophobicContact CG2-CB 4.1Å; I219-F313 HydrophobicContact CG2-CD1 3.53Å; I219-F313 HydrophobicContact CG2-CE1 4.11Å; I219-F313 HydrophobicContact CG2-CG 3.91Å; D309-F313 WeakPolarHBondContact O-CB 3.25Å; D309-F313 PolarHBondContact O-N 3.25Å; R310-F313 WeakPolarHBondContact O-CB 3.45Å; R310-F313 PolarHBondContact O-N 3.36Å; F313-T317 WeakPolarHBondContact O-CB 3.42Å; F313-T317 PolarHBondContact O-N 3.13Å; F313-T317 PolarHBondContact O-OG1 2.82Å
314W97.9Very high97Very high4 Ų463.3 Ų63.32%0.01530%0.3CS..Hα-helixtrans-59.9-55.8175.1179.3-77.3000111.6F161 E165 H220 E223 L224 R227 R310 K311 W312 K316 T317 C318 C325F161-W314 HydrophobicContact CE2-CD2 4.08Å; F161-W314 AromaticContact CE2-CE3 3.68Å; F161-W314 HydrophobicContact CE2-CE3 3.68Å; F161-W314 HydrophobicContact CE2-CH2 4.02Å; F161-W314 HydrophobicContact CE2-CZ2 4.4Å; F161-W314 AromaticContact CE2-CZ3 3.65Å; F161-W314 HydrophobicContact CE2-CZ3 3.65Å; F161-W314 AromaticContact CZ-CD2 3.96Å; F161-W314 HydrophobicContact CZ-CD2 3.96Å; F161-W314 AromaticContact CZ-CE2 3.9Å; F161-W314 HydrophobicContact CZ-CE3 4Å; F161-W314 AromaticContact CZ-CH2 3.9Å; F161-W314 HydrophobicContact CZ-CH2 3.9Å; F161-W314 AromaticContact CZ-CZ2 3.88Å; F161-W314 HydrophobicContact CZ-CZ2 3.88Å; F161-W314 AromaticContact CZ-CZ3 3.98Å; F161-W314 HydrophobicContact CZ-CZ3 3.98Å; E165-W314 WeakPolarHBondContact OE1-CH2 3.44Å; H220-W314 AromaticContact CD2-CZ3 3.74Å; E223-W314 HydrophobicContact CB-CE3 4.07Å; E223-W314 HydrophobicContact CG-CB 3.99Å; E223-W314 HydrophobicContact CG-CD2 4.15Å; E223-W314 HydrophobicContact CG-CE3 3.8Å; E223-W314 HydrophobicContact CG-CG 4.25Å; L224-W314 HydrophobicContact CB-CH2 4.48Å; L224-W314 HydrophobicContact CB-CZ3 3.98Å; L224-W314 HydrophobicContact CD1-CH2 3.62Å; L224-W314 HydrophobicContact CD1-CZ3 3.99Å; R227-W314 VanDerWaalsContact CD-CE2 3.45Å; R310-W314 WeakPolarHBondContact O-CB 3.35Å; R310-W314 PolarHBondContact O-N 2.68Å; K311-W314 PolarHBondContact O-N 3.26Å; W312-W314 VanDerWaalsContact C-N 3.34Å; W312-W314 PolarHBondContact O-N 2.98Å; W314-K316 VanDerWaalsContact C-N 3.27Å; W314-K316 PolarHBondContact O-N 3.16Å; W314-T317 WeakPolarHBondContact O-CB 3.1Å; W314-T317 PolarHBondContact O-N 3.21Å; W314-C318 PolarHBondContact NE1-SG 3.06Å; W314-C318 VanDerWaalsContact NE1-SG 3.39Å; W314-C318 PolarHBondContact O-N 2.88Å; W314-C318 PolarHBondContact O-SG 3.31Å; W314-C325 HydrophobicContact CZ2-CB 3.94Å
315N96.9Very high96.1Very high93 Ų9364 Ų6450%0.49731%0.305SS..Hα-helixtrans-59.4-41.3-177.6-69.8-11.5000111.2K311 W312 T317 C318 E319K311-N315 WeakPolarHBondContact O-CB 3.46Å; K311-N315 VanDerWaalsContact O-CG 3.27Å; K311-N315 PolarHBondContact O-N 3.44Å; K311-N315 PolarHBondContact O-ND2 3.34Å; W312-N315 PolarHBondContact O-N 3.13Å; N315-T317 VanDerWaalsContact C-N 3.34Å; N315-T317 PolarHBondContact O-N 2.75Å; N315-C318 PolarHBondContact O-N 2.84Å; N315-E319 PolarHBondContact O-N 3.15Å
316K98.1Very high94.7Very high26 Ų2666 Ų6611%0.11332%0.318CS..Hα-helixtrans-67-35.1177.1-171.757.1178.5179.60112.5P195 L197 W312 W314 E319 L320P195-K316 WeakPolarHBondContact O-CE 3.34Å; P195-K316 WeakPolarHBondContact O-CG 3.22Å; L197-K316 HydrophobicContact CD1-CB 4.22Å; L197-K316 HydrophobicContact CD1-CG 4.21Å; L197-K316 HydrophobicContact CD2-CG 4.31Å; L197-K316 HydrophobicContact CG-CB 4.49Å; L197-K316 HydrophobicContact CG-CG 4.08Å; W312-K316 HydrophobicContact CH2-CB 4.4Å; W312-K316 HydrophobicContact CH2-CG 4.19Å; W312-K316 HydrophobicContact CZ2-CB 4.34Å; W312-K316 HydrophobicContact CZ2-CG 4.2Å; W312-K316 WeakPolarHBondContact O-CB 3.29Å; W312-K316 PolarHBondContact O-N 2.62Å; W314-K316 VanDerWaalsContact C-N 3.27Å; W314-K316 PolarHBondContact O-N 3.16Å; K316-E319 VanDerWaalsContact CD-OE2 3.25Å; K316-E319 WeakPolarHBondContact CD-OE2 3.45Å; K316-E319 IonicContact NZ-OE1 2.68Å; K316-E319 PolarHBondContact NZ-OE1 3Å; K316-E319 IonicContact NZ-OE2 3.25Å; K316-E319 PolarHBondContact NZ-OE2 3.33Å; K316-E319 PolarHBondContact O-N 2.82Å; K316-L320 HydrophobicContact CD-CG 4.43Å; K316-L320 HydrophobicContact CG-CD1 4.19Å; K316-L320 HydrophobicContact CG-CG 4.46Å; K316-L320 WeakPolarHBondContact O-CB 3.09Å; K316-L320 VanDerWaalsContact O-CG 3.24Å; K316-L320 WeakPolarHBondContact O-CG 3.5Å; K316-L320 PolarHBondContact O-N 3.47Å
317T98.6Very high92.7Very high0 Ų063.5 Ų63.50%031%0.312CS..Hα-helixtrans-63-45.5173.3-57.10000111.1Y157 F158 F161 L197 F313 W314 N315 E319 L320 L321Y157-T317 HydrophobicContact CE1-CG2 3.78Å; Y157-T317 WeakPolarHBondContact OH-CB 3.48Å; Y157-T317 VanDerWaalsContact OH-CG2 3.27Å; Y157-T317 WeakPolarHBondContact OH-CG2 3.2Å; Y157-T317 PolarHBondContact OH-OG1 3.4Å; F158-T317 HydrophobicContact CD1-CG2 4.1Å; F158-T317 HydrophobicContact CE1-CG2 4.33Å; F161-T317 HydrophobicContact CB-CG2 4.3Å; F161-T317 HydrophobicContact CD1-CG2 3.65Å; F161-T317 HydrophobicContact CD2-CG2 3.75Å; F161-T317 HydrophobicContact CE1-CG2 3.8Å; F161-T317 HydrophobicContact CE2-CG2 3.91Å; F161-T317 HydrophobicContact CG-CG2 3.63Å; F161-T317 HydrophobicContact CZ-CG2 3.94Å; L197-T317 VanDerWaalsContact CD1-OG1 3.24Å; L197-T317 WeakPolarHBondContact CD1-OG1 3.32Å; F313-T317 WeakPolarHBondContact O-CB 3.42Å; F313-T317 PolarHBondContact O-N 3.13Å; F313-T317 PolarHBondContact O-OG1 2.82Å; W314-T317 WeakPolarHBondContact O-CB 3.1Å; W314-T317 PolarHBondContact O-N 3.21Å; N315-T317 VanDerWaalsContact C-N 3.34Å; N315-T317 PolarHBondContact O-N 2.75Å; T317-E319 VanDerWaalsContact C-N 3.34Å; T317-E319 PolarHBondContact O-N 3.12Å; T317-L320 PolarHBondContact O-N 3.16Å; T317-L321 HydrophobicContact CG2-CD1 3.83Å; T317-L321 HydrophobicContact CG2-CG 4.44Å; T317-L321 WeakPolarHBondContact O-CB 3.39Å; T317-L321 WeakPolarHBondContact O-CG 3.36Å; T317-L321 PolarHBondContact O-N 3.27Å
318C98.2Very high92.4Very high9 Ų963.9 Ų63.96%0.06131%0.31CS..Hα-helixtrans-63.2-40.3178-57.50000112.1W314 N315 L321 N322 I323 C325W314-C318 PolarHBondContact NE1-SG 3.06Å; W314-C318 VanDerWaalsContact NE1-SG 3.39Å; W314-C318 PolarHBondContact O-N 2.88Å; W314-C318 PolarHBondContact O-SG 3.31Å; N315-C318 PolarHBondContact O-N 2.84Å; C318-L321 PolarHBondContact O-N 3Å; C318-N322 PolarHBondContact O-N 3.19Å; C318-I323 HydrophobicContact CB-CG1 4.31Å; C318-I323 PolarHBondContact O-N 2.98Å; C318-C325 HydrophobicContact CB-CB 3.98Å; C318-C325 WeakPolarHBondContact CB-SG 3.28Å; C318-C325 WeakPolarHBondContact SG-CB 3.38Å; C318-C325 CovalentContact SG-SG 2.02Å; C318-C325 PolarHBondContact SG-SG 3.4Å
319E97.5Very high92.2Very high127 Ų12759.9 Ų59.959%0.59329%0.292SS*.Hα-helixtrans-59.6-51.8173.1-173.6-161.5138.400111.4N315 K316 T317 L321 N322N315-E319 PolarHBondContact O-N 3.15Å; K316-E319 VanDerWaalsContact CD-OE2 3.25Å; K316-E319 WeakPolarHBondContact CD-OE2 3.45Å; K316-E319 IonicContact NZ-OE1 2.68Å; K316-E319 PolarHBondContact NZ-OE1 3Å; K316-E319 IonicContact NZ-OE2 3.25Å; K316-E319 PolarHBondContact NZ-OE2 3.33Å; K316-E319 PolarHBondContact O-N 2.82Å; T317-E319 VanDerWaalsContact C-N 3.34Å; T317-E319 PolarHBondContact O-N 3.12Å; E319-L321 VanDerWaalsContact C-N 3.29Å; E319-L321 PolarHBondContact O-N 3.4Å; E319-N322 PolarHBondContact O-N 3.43Å
320L98.1Very high91.9Very high43 Ų4361.2 Ų61.223%0.22530%0.297CS..Hα-helixtrans-61.4-36.1-179.9-74.1171.1000112.6F149 F158 D196 L197 K316 T317 N322F149-L320 HydrophobicContact CE1-CB 4.15Å; F149-L320 WeakPolarHBondContact CZ-O 3.44Å; F158-L320 HydrophobicContact CE1-CD1 3.95Å; F158-L320 HydrophobicContact CZ-CD1 4Å; D196-L320 WeakPolarHBondContact O-CD1 3.12Å; L197-L320 HydrophobicContact CD1-CD1 4.18Å; L197-L320 HydrophobicContact CG-CD1 4.18Å; K316-L320 HydrophobicContact CD-CG 4.43Å; K316-L320 HydrophobicContact CG-CD1 4.19Å; K316-L320 HydrophobicContact CG-CG 4.46Å; K316-L320 WeakPolarHBondContact O-CB 3.09Å; K316-L320 VanDerWaalsContact O-CG 3.24Å; K316-L320 WeakPolarHBondContact O-CG 3.5Å; K316-L320 PolarHBondContact O-N 3.47Å; T317-L320 PolarHBondContact O-N 3.16Å; L320-N322 VanDerWaalsContact C-N 3.3Å
321L98.2Very high91.6Very high3 Ų363.7 Ų63.72%0.01631%0.311CS..THydrogen-bonded Turntrans-84-3.8177.2-70175.6000113.7L111 F149 F158 F161 L162 T317 C318 E319 I323L111-L321 HydrophobicContact CD1-CD2 3.86Å; L111-L321 HydrophobicContact CD2-CD2 3.7Å; L111-L321 HydrophobicContact CG-CD2 4.45Å; F149-L321 HydrophobicContact CE2-CD2 4.25Å; F149-L321 HydrophobicContact CZ-CD2 4.14Å; F158-L321 HydrophobicContact CB-CD2 4.17Å; F161-L321 HydrophobicContact CB-CD1 4.33Å; F161-L321 HydrophobicContact CD1-CD1 3.45Å; F161-L321 VanDerWaalsContact CD1-CD1 3.45Å; F161-L321 HydrophobicContact CE1-CD1 4.14Å; F161-L321 HydrophobicContact CG-CD1 4.21Å; L162-L321 HydrophobicContact CB-CD1 4.13Å; T317-L321 HydrophobicContact CG2-CD1 3.83Å; T317-L321 HydrophobicContact CG2-CG 4.44Å; T317-L321 WeakPolarHBondContact O-CB 3.39Å; T317-L321 WeakPolarHBondContact O-CG 3.36Å; T317-L321 PolarHBondContact O-N 3.27Å; C318-L321 PolarHBondContact O-N 3Å; E319-L321 VanDerWaalsContact C-N 3.29Å; E319-L321 PolarHBondContact O-N 3.4Å; L321-I323 VanDerWaalsContact C-N 3.31Å; L321-I323 HydrophobicContact CB-CD1 4.22Å; L321-I323 HydrophobicContact CB-CG1 3.99Å; L321-I323 HydrophobicContact CD1-CD1 4.22Å; L321-I323 PolarHBondContact O-N 3.4Å
322N96.2Very high91.3Very high149 Ų14960.8 Ų60.880%0.79730%0.3SS*.THydrogen-bonded Turntrans48.950.2-173.7-169.230.5000112.5C318 E319 L320C318-N322 PolarHBondContact O-N 3.19Å; E319-N322 PolarHBondContact O-N 3.43Å; L320-N322 VanDerWaalsContact C-N 3.3Å
323I95.7Very high90.9Very high31 Ų3159.5 Ų59.516%0.15930%0.3CS..  trans-125.1148.6175.561.4176.6000111.1F161 L162 E165 C318 L321F161-I323 HydrophobicContact CD1-CD1 4.33Å; F161-I323 HydrophobicContact CE1-CD1 4.02Å; L162-I323 HydrophobicContact CD1-CD1 3.98Å; L162-I323 HydrophobicContact CD1-CG2 3.86Å; E165-I323 HydrophobicContact CB-CD1 4.21Å; E165-I323 HydrophobicContact CG-CD1 4.07Å; C318-I323 HydrophobicContact CB-CG1 4.31Å; C318-I323 PolarHBondContact O-N 2.98Å; L321-I323 VanDerWaalsContact C-N 3.31Å; L321-I323 HydrophobicContact CB-CD1 4.22Å; L321-I323 HydrophobicContact CB-CG1 3.99Å; L321-I323 HydrophobicContact CD1-CD1 4.22Å; L321-I323 PolarHBondContact O-N 3.4Å
324K89.7Confident90.4Very high177 Ų17763.5 Ų63.577%0.7732%0.32SS*.  trans-84.2118.5168.1-67.5-170.8178.2-174.20109.1D326K324-D326 PolarHBondContact O-N 2.71Å
325C79.1Confident89.8Confident16 Ų1668.1 Ų68.111%0.10834%0.344CS..  trans-100.571.6173.2-60.40000108.6W314 C318 N327W314-C325 HydrophobicContact CZ2-CB 3.94Å; C318-C325 HydrophobicContact CB-CB 3.98Å; C318-C325 WeakPolarHBondContact CB-SG 3.28Å; C318-C325 WeakPolarHBondContact SG-CB 3.38Å; C318-C325 CovalentContact SG-SG 2.02Å; C318-C325 PolarHBondContact SG-SG 3.4Å; C325-N327 PolarHBondContact O-N 2.68Å
326D65.3Low89.2Confident135 Ų13566 Ų6672%0.72233%0.331SS*.  trans-85.518.2-177.6-63.7-24.1000112.4K324K324-D326 PolarHBondContact O-N 2.71Å
327N55.7Low88.4Confident76 Ų7669.6 Ų69.641%0.40635%0.351SS..  trans-61.20177.7-60.9-39.4000111.8E165 L168 R227 C325E165-N327 PolarHBondContact OE1-ND2 3.01Å; E165-N327 PolarHBondContact OE2-ND2 3.34Å; L168-N327 WeakPolarHBondContact CD1-ND2 3.08Å; L168-N327 WeakPolarHBondContact CD1-OD1 3.41Å; R227-N327 HydrophobicContact CB-CB 4.29Å; R227-N327 PolarHBondContact NH1-O 2.82Å; C325-N327 PolarHBondContact O-N 2.68Å

Retrieved 327 of 327 residues in 68.1 ms (Link to these results)

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