A0A077YZK2_TRITR Loading...

fumarate hydratase

AlphaFold DB , UniProt , Accession A0A077YZK2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 465 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
1M45.3Very low84.1Confident241 Ų241103.1 Ų103.1100%1.18754%0.54SS*.  0132.20-73.7-168.5-98.500107.3A3M1-A3 PolarHBondContact O-N 2.71Å
2V54.8Low84.8Confident139 Ų139108.7 Ų108.784%0.84256%0.557SS**PPolyproline II helixtrans-65.1119.5171.9-177.70000105.9D4V2-D4 PolarHBondContact O-N 3.09Å
3A72.9Confident85.5Confident68 Ų68101.7 Ų101.756%0.56253%0.529SS*.PPolyproline II helixtrans-57133.5177.400000108.9M1M1-A3 PolarHBondContact O-N 2.71Å
4D92.1Very high86.2Confident123 Ų123104.4 Ų104.466%0.65854%0.538SS*.PPolyproline II helixtrans-61.9146.9177.8-159.35.2000109.6V2 A19V2-D4 PolarHBondContact O-N 3.09Å; D4-A19 HydrophobicContact CB-CB 4.02Å; D4-A19 WeakPolarHBondContact O-CB 3.4Å; D4-A19 PolarHBondContact O-N 3.43Å
5Y95.3Very high86.8Confident104 Ų10498.9 Ų98.941%0.40851%0.509SS..EExtended strand (participates in β ladder)trans-137.4147.6-174.865.7-90.3000111.8V7 K16 V17Y5-V7 HydrophobicContact CD2-CG2 4.37Å; Y5-V7 HydrophobicContact CE2-CG2 4.18Å; Y5-K16 HydrophobicContact CD1-CD 4.26Å; Y5-K16 HydrophobicContact CD2-CB 3.89Å; Y5-K16 HydrophobicContact CD2-CD 3.71Å; Y5-K16 HydrophobicContact CD2-CG 3.61Å; Y5-K16 HydrophobicContact CE1-CD 4.17Å; Y5-K16 HydrophobicContact CE2-CD 3.59Å; Y5-K16 HydrophobicContact CE2-CG 3.78Å; Y5-K16 HydrophobicContact CG-CB 4.14Å; Y5-K16 HydrophobicContact CG-CD 4.05Å; Y5-K16 HydrophobicContact CG-CG 4.22Å; Y5-K16 PolarHBondContact OH-NZ 2.82Å; Y5-V17 CarbonylContact C-O 3.55Å; Y5-V17 VanDerWaalsContact CA-O 3.27Å; Y5-V17 WeakPolarHBondContact CA-O 3.45Å; Y5-V17 WeakPolarHBondContact CB-O 3.43Å
6R96Very high87.4Confident36 Ų36101 Ų10114%0.13651%0.514CS..EExtended strand (participates in β ladder)trans-102.4152.1163.768.8179.9-176.2-78.7-0.4110.1E8 V17 P18 K21 Y23R6-E8 HydrophobicContact CG-CG 4.43Å; R6-E8 IonicContact CZ-OE1 2.59Å; R6-E8 VanDerWaalsContact CZ-OE1 3.23Å; R6-E8 IonicContact NE-OE1 2.7Å; R6-E8 PolarHBondContact NE-OE1 3.4Å; R6-E8 IonicContact NH2-OE1 3.2Å; R6-E8 PolarHBondContact NH2-OE1 2.93Å; R6-V17 HydrophobicContact CG-CB 4.12Å; R6-V17 PolarHBondContact N-O 3.5Å; R6-V17 PolarHBondContact O-N 3.47Å; R6-P18 PolarHBondContact NH1-O 3.49Å; R6-K21 VanDerWaalsContact CZ-O 3.28Å; R6-K21 PolarHBondContact NH1-O 3.24Å; R6-K21 PolarHBondContact NH2-O 3.46Å; R6-Y23 PolarHBondContact NH2-O 3.4Å
7V96Very high88Confident80 Ų8095.1 Ų95.149%0.48548%0.483SS..EExtended strand (participates in β ladder)trans-93.3121.9173.2-179.70000108.2Y5 E14Y5-V7 HydrophobicContact CD2-CG2 4.37Å; Y5-V7 HydrophobicContact CE2-CG2 4.18Å; V7-E14 HydrophobicContact CG1-CB 3.82Å; V7-E14 HydrophobicContact CG1-CG 3.85Å
8E96.9Very high88.5Confident9 Ų991.8 Ų91.84%0.04247%0.47CS..EExtended strand (participates in β ladder)trans-116.6161.7167.4-70.8-164.3-140.900109.8R6 E14 L15 V17 G24 A25 G125 K127R6-E8 HydrophobicContact CG-CG 4.43Å; R6-E8 IonicContact CZ-OE1 2.59Å; R6-E8 VanDerWaalsContact CZ-OE1 3.23Å; R6-E8 IonicContact NE-OE1 2.7Å; R6-E8 PolarHBondContact NE-OE1 3.4Å; R6-E8 IonicContact NH2-OE1 3.2Å; R6-E8 PolarHBondContact NH2-OE1 2.93Å; E8-E14 CarbonylContact O-C 3.43Å; E8-E14 WeakPolarHBondContact O-CA 3.36Å; E8-L15 PolarHBondContact N-O 3.05Å; E8-L15 PolarHBondContact O-N 3.32Å; E8-V17 HydrophobicContact CB-CG2 4.14Å; E8-V17 HydrophobicContact CG-CG2 4.27Å; E8-G24 WeakPolarHBondContact OE1-CA 2.82Å; E8-G24 WeakPolarHBondContact OE2-CA 3.47Å; E8-A25 HydrophobicContact CB-CB 3.78Å; E8-A25 PolarHBondContact OE2-N 3.47Å; E8-G125 VanDerWaalsContact CD-CA 3.41Å; E8-G125 VanDerWaalsContact OE1-CA 3.3Å; E8-G125 WeakPolarHBondContact OE1-CA 3.25Å; E8-K127 IonicContact OE2-NZ 3.48Å
9R92.8Very high88.9Confident171 Ų17189.1 Ų89.165%0.64546%0.462SS*.EExtended strand (participates in β ladder)trans-128.5139.8-178.6-179.2169.7179.8-177.41.5111.2G13 E14R9-G13 WeakPolarHBondContact CA-O 3.37Å; R9-E14 HydrophobicContact CB-CG 4.49Å
10D92.5Very high89.2Confident27 Ų2790.2 Ų90.214%0.14447%0.469CS..EExtended strand (participates in β ladder)trans-116.8-172.216163.223.2000110.1F12 G13 A25 R29D10-F12 PolarHBondContact O-N 3.49Å; D10-F12 PolarHBondContact OD1-N 2.9Å; D10-G13 PolarHBondContact N-O 3.37Å; D10-G13 VanDerWaalsContact N-O 3.09Å; D10-G13 PolarHBondContact O-N 3.08Å; D10-G13 VanDerWaalsContact O-N 3.15Å; D10-G13 PolarHBondContact OD1-N 3.36Å; D10-A25 HydrophobicContact CB-CB 4.27Å; D10-R29 IonicContact OD1-CZ 2.89Å; D10-R29 IonicContact OD1-NE 3.53Å; D10-R29 PolarHBondContact OD1-NE 3.18Å; D10-R29 IonicContact OD1-NH2 2.6Å; D10-R29 PolarHBondContact OD1-NH2 3.42Å; D10-R29 WeakPolarHBondContact OD2-CD 3.44Å; D10-R29 IonicContact OD2-CZ 2.62Å; D10-R29 IonicContact OD2-NE 3.13Å; D10-R29 PolarHBondContact OD2-NE 3.02Å; D10-R29 IonicContact OD2-NH2 2.73Å; D10-R29 PolarHBondContact OD2-NH2 3.39Å
11T90.4Very high89.6Confident136 Ų13688 Ų8883%0.83446%0.456SS*.THydrogen-bonded Turntrans-65.1-18.3-177.950.60000113.7
12F92.4Very high92.2Very high170 Ų17078.4 Ų78.475%0.74641%0.406SS*.THydrogen-bonded Turntrans-93.6-6.2177-69.2-12.1000113.6D10D10-F12 PolarHBondContact O-N 3.49Å; D10-F12 PolarHBondContact OD1-N 2.9Å
13G94.1Very high94.3Very high18 Ų1872.8 Ų72.819%0.18637%0.37CS..EExtended strand (participates in β ladder)trans125.9-162.1173.700000113.1R9 D10R9-G13 WeakPolarHBondContact CA-O 3.37Å; D10-G13 PolarHBondContact N-O 3.37Å; D10-G13 VanDerWaalsContact N-O 3.09Å; D10-G13 PolarHBondContact O-N 3.08Å; D10-G13 VanDerWaalsContact O-N 3.15Å; D10-G13 PolarHBondContact OD1-N 3.36Å
14E95.1Very high95.5Very high140 Ų14069.5 Ų69.565%0.65434%0.344SS*.EExtended strand (participates in β ladder)trans-80.4145.5-174.8-67.9-179.2177.300112.3V7 E8 R9V7-E14 HydrophobicContact CG1-CB 3.82Å; V7-E14 HydrophobicContact CG1-CG 3.85Å; E8-E14 CarbonylContact O-C 3.43Å; E8-E14 WeakPolarHBondContact O-CA 3.36Å; R9-E14 HydrophobicContact CB-CG 4.49Å
15L95.8Very high95.7Very high21 Ų2163.7 Ų63.711%0.1131%0.313CS..EExtended strand (participates in β ladder)trans-135.5143.2173.2-79.3169.4000110.3E8 A25 A28 R29 M32E8-L15 PolarHBondContact N-O 3.05Å; E8-L15 PolarHBondContact O-N 3.32Å; L15-A25 HydrophobicContact CD1-CB 4.44Å; L15-A25 VanDerWaalsContact CD1-O 3.23Å; L15-A25 WeakPolarHBondContact CD1-O 3.44Å; L15-A28 HydrophobicContact CB-CB 4.48Å; L15-A28 HydrophobicContact CD1-CB 4.23Å; L15-R29 HydrophobicContact CD1-CB 3.6Å; L15-R29 HydrophobicContact CD1-CG 4.28Å; L15-R29 VanDerWaalsContact CD1-CZ 3.49Å; L15-M32 HydrophobicContact CD2-CE 4.5Å; L15-M32 HydrophobicContact CD2-SD 3.56Å; L15-M32 VanDerWaalsContact CD2-SD 3.56Å
16K95.9Very high95.8Very high133 Ų13362.1 Ų62.158%0.57831%0.309SS*.EExtended strand (participates in β ladder)trans-83.2122.1171.3-62.8-174179.4-171.80108.8Y5Y5-K16 HydrophobicContact CD1-CD 4.26Å; Y5-K16 HydrophobicContact CD2-CB 3.89Å; Y5-K16 HydrophobicContact CD2-CD 3.71Å; Y5-K16 HydrophobicContact CD2-CG 3.61Å; Y5-K16 HydrophobicContact CE1-CD 4.17Å; Y5-K16 HydrophobicContact CE2-CD 3.59Å; Y5-K16 HydrophobicContact CE2-CG 3.78Å; Y5-K16 HydrophobicContact CG-CB 4.14Å; Y5-K16 HydrophobicContact CG-CD 4.05Å; Y5-K16 HydrophobicContact CG-CG 4.22Å; Y5-K16 PolarHBondContact OH-NZ 2.82Å
17V97.3Very high95.9Very high0 Ų060.4 Ų60.40%030%0.302CS..EExtended strand (participates in β ladder)trans-114.2129.1176.7-1780000107.9Y5 R6 E8 A19 Y23 A28Y5-V17 CarbonylContact C-O 3.55Å; Y5-V17 VanDerWaalsContact CA-O 3.27Å; Y5-V17 WeakPolarHBondContact CA-O 3.45Å; Y5-V17 WeakPolarHBondContact CB-O 3.43Å; R6-V17 HydrophobicContact CG-CB 4.12Å; R6-V17 PolarHBondContact N-O 3.5Å; R6-V17 PolarHBondContact O-N 3.47Å; E8-V17 HydrophobicContact CB-CG2 4.14Å; E8-V17 HydrophobicContact CG-CG2 4.27Å; V17-A19 PolarHBondContact O-N 3.07Å; V17-Y23 HydrophobicContact CG1-CD2 3.95Å; V17-Y23 HydrophobicContact CG1-CE2 3.79Å; V17-Y23 WeakPolarHBondContact CG1-O 3.46Å; V17-A28 HydrophobicContact CG2-CB 4.1Å
18P96.8Very high96Very high37 Ų3757.1 Ų57.124%0.2428%0.284CS..EExtended strand (participates in β ladder)trans-53.2133.5177-26.235.2000111.8R6 D20 K21 Y23R6-P18 PolarHBondContact NH1-O 3.49Å; P18-D20 VanDerWaalsContact CB-OD1 3.23Å; P18-D20 WeakPolarHBondContact CB-OD1 3.41Å; P18-D20 PolarHBondContact O-N 2.91Å; P18-K21 HydrophobicContact CB-CB 4.34Å; P18-K21 HydrophobicContact CB-CG 3.87Å; P18-K21 HydrophobicContact CG-CG 4.34Å; P18-K21 PolarHBondContact O-N 2.97Å; P18-K21 VanDerWaalsContact O-N 3.1Å; P18-Y23 WeakPolarHBondContact CD-OH 3.48Å; P18-Y23 WeakPolarHBondContact CG-OH 3.31Å
19A96Very high96Very high39 Ų3959 Ų5932%0.32229%0.291SS..THydrogen-bonded Turntrans-63.7-26.2-173.600000112.7D4 V17 K21D4-A19 HydrophobicContact CB-CB 4.02Å; D4-A19 WeakPolarHBondContact O-CB 3.4Å; D4-A19 PolarHBondContact O-N 3.43Å; V17-A19 PolarHBondContact O-N 3.07Å; A19-K21 VanDerWaalsContact C-N 3.33Å
20D96.1Very high96.3Very high111 Ų11151.3 Ų51.359%0.59426%0.263SS*.THydrogen-bonded Turntrans-85.55178.470.2-38.1000114P18 H90P18-D20 VanDerWaalsContact CB-OD1 3.23Å; P18-D20 WeakPolarHBondContact CB-OD1 3.41Å; P18-D20 PolarHBondContact O-N 2.91Å; D20-H90 PolarHBondContact O-CE1 2.7Å
21K97.8Very high96.4Very high46 Ų4652.8 Ų52.820%0.227%0.27CS..  trans-115.3131.8-177.9-62.3-62.8177.6-177.60113.1R6 P18 A19 Y23 D89R6-K21 VanDerWaalsContact CZ-O 3.28Å; R6-K21 PolarHBondContact NH1-O 3.24Å; R6-K21 PolarHBondContact NH2-O 3.46Å; P18-K21 HydrophobicContact CB-CB 4.34Å; P18-K21 HydrophobicContact CB-CG 3.87Å; P18-K21 HydrophobicContact CG-CG 4.34Å; P18-K21 PolarHBondContact O-N 2.97Å; P18-K21 VanDerWaalsContact O-N 3.1Å; A19-K21 VanDerWaalsContact C-N 3.33Å; K21-Y23 HydrophobicContact CB-CD1 3.79Å; K21-Y23 HydrophobicContact CB-CE1 3.52Å; K21-Y23 HydrophobicContact CB-CE2 4.44Å; K21-Y23 HydrophobicContact CB-CG 4.35Å; K21-Y23 HydrophobicContact CD-CE1 4.02Å; K21-Y23 HydrophobicContact CG-CD1 4.28Å; K21-Y23 HydrophobicContact CG-CE1 3.6Å; K21-D89 PolarHBondContact NZ-O 2.81Å
22Y98.7Very high96.7Very high38 Ų3851.4 Ų51.415%0.14926%0.256CS..  trans-75.8-16.3175.5-65-65.8000114.9L87 H90 E110 N114 R115 E118 L124Y22-L87 HydrophobicContact CD2-CD2 3.88Å; Y22-L87 HydrophobicContact CE2-CD2 3.68Å; Y22-H90 AromaticContact CD2-CD2 3.58Å; Y22-H90 AromaticContact CD2-CE1 3.36Å; Y22-H90 WeakPolarHBondContact CD2-CE1 3.47Å; Y22-H90 AromaticContact CD2-CG 3.8Å; Y22-H90 AromaticContact CD2-ND1 3.69Å; Y22-H90 AromaticContact CD2-NE2 3.29Å; Y22-H90 VanDerWaalsContact CD2-NE2 3.29Å; Y22-H90 WeakPolarHBondContact CD2-NE2 3.35Å; Y22-H90 AromaticContact CE2-CE1 3.84Å; Y22-H90 AromaticContact CE2-NE2 3.6Å; Y22-H90 PolarHBondContact N-ND1 3.4Å; Y22-H90 VanDerWaalsContact N-ND1 3.11Å; Y22-E110 CarbonylContact O-C 3.22Å; Y22-N114 HydrophobicContact CD1-CB 4.15Å; Y22-N114 VanDerWaalsContact O-CB 3.3Å; Y22-N114 WeakPolarHBondContact O-CB 3.38Å; Y22-N114 PolarHBondContact O-ND2 3.29Å; Y22-R115 HydrophobicContact CD1-CB 4.3Å; Y22-R115 HydrophobicContact CE1-CB 4.4Å; Y22-E118 VanDerWaalsContact CE1-OE2 3.29Å; Y22-E118 WeakPolarHBondContact CE1-OE2 3.49Å; Y22-E118 VanDerWaalsContact CZ-OE2 3.32Å; Y22-E118 PolarHBondContact OH-OE2 2.81Å; Y22-L124 HydrophobicContact CD1-CD2 3.63Å; Y22-L124 HydrophobicContact CE1-CD2 3.91Å
23Y98.5Very high97Very high21 Ų2148.5 Ų48.58%0.08225%0.248CC..  trans-68.6158.4173.867.7-112000111R6 V17 P18 K21 T27 A28 P92R6-Y23 PolarHBondContact NH2-O 3.4Å; V17-Y23 HydrophobicContact CG1-CD2 3.95Å; V17-Y23 HydrophobicContact CG1-CE2 3.79Å; V17-Y23 WeakPolarHBondContact CG1-O 3.46Å; P18-Y23 WeakPolarHBondContact CD-OH 3.48Å; P18-Y23 WeakPolarHBondContact CG-OH 3.31Å; K21-Y23 HydrophobicContact CB-CD1 3.79Å; K21-Y23 HydrophobicContact CB-CE1 3.52Å; K21-Y23 HydrophobicContact CB-CE2 4.44Å; K21-Y23 HydrophobicContact CB-CG 4.35Å; K21-Y23 HydrophobicContact CD-CE1 4.02Å; K21-Y23 HydrophobicContact CG-CD1 4.28Å; K21-Y23 HydrophobicContact CG-CE1 3.6Å; Y23-T27 HydrophobicContact CD1-CG2 4.23Å; Y23-T27 HydrophobicContact CD2-CG2 3.82Å; Y23-T27 HydrophobicContact CG-CG2 3.66Å; Y23-A28 HydrophobicContact CE2-CB 4.4Å; Y23-P92 HydrophobicContact CD1-CG 4.04Å; Y23-P92 HydrophobicContact CE1-CG 3.92Å
24G98Very high97.2Very high0 Ų050.7 Ų50.70%025%0.253CS..  trans-116.9-157.6-173.800000114.3E8 Q26 T27 A28 E110E8-G24 WeakPolarHBondContact OE1-CA 2.82Å; E8-G24 WeakPolarHBondContact OE2-CA 3.47Å; G24-Q26 VanDerWaalsContact C-N 3.34Å; G24-Q26 PolarHBondContact O-N 3.06Å; G24-T27 PolarHBondContact O-N 3.42Å; G24-A28 PolarHBondContact O-N 2.88Å; G24-E110 WeakPolarHBondContact CA-OE1 3.24Å; G24-E110 WeakPolarHBondContact CA-OE2 3.24Å; G24-E110 VanDerWaalsContact N-CD 3.29Å; G24-E110 PolarHBondContact N-OE2 2.8Å
25A97.8Very high97.2Very high1 Ų151.5 Ų51.51%0.00826%0.256CS..Hα-helixtrans-59-39.3-176.900000113.5E8 D10 L15 A28 R29 E110E8-A25 HydrophobicContact CB-CB 3.78Å; E8-A25 PolarHBondContact OE2-N 3.47Å; D10-A25 HydrophobicContact CB-CB 4.27Å; L15-A25 HydrophobicContact CD1-CB 4.44Å; L15-A25 VanDerWaalsContact CD1-O 3.23Å; L15-A25 WeakPolarHBondContact CD1-O 3.44Å; A25-A28 PolarHBondContact O-N 3.48Å; A25-R29 WeakPolarHBondContact O-CB 3.31Å; A25-R29 PolarHBondContact O-N 3.22Å; A25-E110 PolarHBondContact N-OE1 2.89Å; A25-E110 VanDerWaalsContact N-OE1 3.16Å
26Q97.9Very high97.4Very high71 Ų7154.9 Ų54.933%0.33227%0.273SS..Hα-helixtrans-67.4-41-177.8-62.4-178.7-3900110.9G24 R29 S30 M106 E110G24-Q26 VanDerWaalsContact C-N 3.34Å; G24-Q26 PolarHBondContact O-N 3.06Å; Q26-R29 PolarHBondContact O-N 3.01Å; Q26-S30 WeakPolarHBondContact O-CB 3.39Å; Q26-S30 PolarHBondContact O-N 2.91Å; Q26-S30 PolarHBondContact O-OG 3.02Å; Q26-M106 HydrophobicContact CB-CB 4.29Å; Q26-M106 HydrophobicContact CB-CE 4.3Å; Q26-M106 HydrophobicContact CB-SD 4.28Å; Q26-M106 HydrophobicContact CG-SD 4.29Å; Q26-M106 PolarHBondContact NE2-SD 3.04Å; Q26-M106 PolarHBondContact OE1-SD 3.07Å; Q26-M106 VanDerWaalsContact OE1-SD 3.32Å; Q26-E110 WeakPolarHBondContact CB-OE1 3.28Å; Q26-E110 PolarHBondContact N-OE1 3.37Å
27T98.3Very high97.4Very high0 Ų051.2 Ų51.20%027%0.274CS..Hα-helixtrans-66.2-44.9174.7-55.60000111.5Y23 G24 R29 S30 L31 P92 L93 N107 E110Y23-T27 HydrophobicContact CD1-CG2 4.23Å; Y23-T27 HydrophobicContact CD2-CG2 3.82Å; Y23-T27 HydrophobicContact CG-CG2 3.66Å; G24-T27 PolarHBondContact O-N 3.42Å; T27-R29 VanDerWaalsContact C-N 3.31Å; T27-R29 PolarHBondContact O-N 3.18Å; T27-S30 WeakPolarHBondContact O-CB 3.42Å; T27-S30 PolarHBondContact O-N 3.33Å; T27-S30 VanDerWaalsContact O-N 3.11Å; T27-L31 PolarHBondContact O-N 3.22Å; T27-P92 HydrophobicContact CG2-CG 3.84Å; T27-L93 HydrophobicContact CG2-CD1 4.36Å; T27-L93 HydrophobicContact CG2-CD2 3.95Å; T27-L93 HydrophobicContact CG2-CG 4.06Å; T27-N107 HydrophobicContact CG2-CB 4.12Å; T27-N107 WeakPolarHBondContact OG1-CA 3.5Å; T27-N107 VanDerWaalsContact OG1-CB 3.27Å; T27-N107 WeakPolarHBondContact OG1-CB 3.46Å; T27-N107 PolarHBondContact OG1-ND2 2.99Å; T27-E110 VanDerWaalsContact CB-OE2 3.29Å; T27-E110 WeakPolarHBondContact CB-OE2 3.28Å; T27-E110 PolarHBondContact N-OE2 2.96Å; T27-E110 PolarHBondContact OG1-OE2 3.47Å
28A97.3Very high97.4Very high11 Ų1152.7 Ų52.79%0.09129%0.289CS..Hα-helixtrans-59-42.5176.700000111.6L15 V17 Y23 G24 A25 S30 L31 M32L15-A28 HydrophobicContact CB-CB 4.48Å; L15-A28 HydrophobicContact CD1-CB 4.23Å; V17-A28 HydrophobicContact CG2-CB 4.1Å; Y23-A28 HydrophobicContact CE2-CB 4.4Å; G24-A28 PolarHBondContact O-N 2.88Å; A25-A28 PolarHBondContact O-N 3.48Å; A28-S30 VanDerWaalsContact C-N 3.34Å; A28-S30 PolarHBondContact O-N 3.21Å; A28-L31 PolarHBondContact O-N 3.07Å; A28-M32 WeakPolarHBondContact O-CG 3.38Å; A28-M32 PolarHBondContact O-N 2.93Å
29R97.4Very high97.3Very high49 Ų4956.5 Ų56.519%0.18531%0.313CS..Hα-helixtrans-65-40.2174.9-162.6158.7-56.8-89.86.2112.1D10 L15 A25 Q26 T27 L31 M32 N33D10-R29 IonicContact OD1-CZ 2.89Å; D10-R29 IonicContact OD1-NE 3.53Å; D10-R29 PolarHBondContact OD1-NE 3.18Å; D10-R29 IonicContact OD1-NH2 2.6Å; D10-R29 PolarHBondContact OD1-NH2 3.42Å; D10-R29 WeakPolarHBondContact OD2-CD 3.44Å; D10-R29 IonicContact OD2-CZ 2.62Å; D10-R29 IonicContact OD2-NE 3.13Å; D10-R29 PolarHBondContact OD2-NE 3.02Å; D10-R29 IonicContact OD2-NH2 2.73Å; D10-R29 PolarHBondContact OD2-NH2 3.39Å; L15-R29 HydrophobicContact CD1-CB 3.6Å; L15-R29 HydrophobicContact CD1-CG 4.28Å; L15-R29 VanDerWaalsContact CD1-CZ 3.49Å; A25-R29 WeakPolarHBondContact O-CB 3.31Å; A25-R29 PolarHBondContact O-N 3.22Å; Q26-R29 PolarHBondContact O-N 3.01Å; T27-R29 VanDerWaalsContact C-N 3.31Å; T27-R29 PolarHBondContact O-N 3.18Å; R29-L31 VanDerWaalsContact C-N 3.3Å; R29-L31 PolarHBondContact O-N 3.28Å; R29-M32 PolarHBondContact O-N 3.03Å; R29-N33 PolarHBondContact O-N 3.2Å; R29-N33 PolarHBondContact O-ND2 3.04Å
30S97.6Very high97.4Very high9 Ų959.3 Ų59.36%0.06333%0.331CS..Hα-helixtrans-63.2-39.2179.9-59.10000111.3Q26 T27 A28 M32 N33 F34 Q103Q26-S30 WeakPolarHBondContact O-CB 3.39Å; Q26-S30 PolarHBondContact O-N 2.91Å; Q26-S30 PolarHBondContact O-OG 3.02Å; T27-S30 WeakPolarHBondContact O-CB 3.42Å; T27-S30 PolarHBondContact O-N 3.33Å; T27-S30 VanDerWaalsContact O-N 3.11Å; A28-S30 VanDerWaalsContact C-N 3.34Å; A28-S30 PolarHBondContact O-N 3.21Å; S30-M32 VanDerWaalsContact C-N 3.33Å; S30-M32 PolarHBondContact O-N 3.36Å; S30-N33 PolarHBondContact O-N 3.33Å; S30-F34 WeakPolarHBondContact O-CD2 3.39Å; S30-F34 PolarHBondContact O-N 3.35Å; S30-F34 VanDerWaalsContact O-N 3.12Å; S30-Q103 WeakPolarHBondContact OG-CG 3.47Å
31L96.2Very high97.5Very high57 Ų5756.6 Ų56.630%0.29832%0.315SS..Hα-helixtrans-57.9-43.6174.5-75.8170.7000112.7T27 A28 R29 N33 E35 P92 L93T27-L31 PolarHBondContact O-N 3.22Å; A28-L31 PolarHBondContact O-N 3.07Å; R29-L31 VanDerWaalsContact C-N 3.3Å; R29-L31 PolarHBondContact O-N 3.28Å; L31-N33 PolarHBondContact O-N 3.24Å; L31-E35 WeakPolarHBondContact O-CG 3.45Å; L31-P92 HydrophobicContact CD1-CB 4.11Å; L31-P92 HydrophobicContact CD1-CG 3.65Å; L31-P92 HydrophobicContact CD2-CB 3.81Å; L31-P92 HydrophobicContact CD2-CG 3.88Å; L31-P92 HydrophobicContact CG-CB 4.44Å; L31-P92 HydrophobicContact CG-CG 4.03Å; L31-L93 HydrophobicContact CD2-CD2 3.95Å; L31-L93 HydrophobicContact CG-CD2 3.9Å
32M96.5Very high97.6Very high108 Ų10858 Ų5853%0.53232%0.319SS..Hα-helixtrans-66.9-20.8-179.8-61.7168.563.600113.9L15 A28 R29 S30L15-M32 HydrophobicContact CD2-CE 4.5Å; L15-M32 HydrophobicContact CD2-SD 3.56Å; L15-M32 VanDerWaalsContact CD2-SD 3.56Å; A28-M32 WeakPolarHBondContact O-CG 3.38Å; A28-M32 PolarHBondContact O-N 2.93Å; R29-M32 PolarHBondContact O-N 3.03Å; S30-M32 VanDerWaalsContact C-N 3.33Å; S30-M32 PolarHBondContact O-N 3.36Å
33N97.9Very high97.6Very high109 Ų10956.6 Ų56.658%0.58331%0.313SS*.Hα-helixtrans-106.8-15.1-172.5-70.4-67000113.5R29 S30 L31R29-N33 PolarHBondContact O-N 3.2Å; R29-N33 PolarHBondContact O-ND2 3.04Å; S30-N33 PolarHBondContact O-N 3.33Å; L31-N33 PolarHBondContact O-N 3.24Å
34F98.1Very high97.6Very high64 Ų6456.8 Ų56.828%0.28132%0.317SS..  trans-127.853.4-175.8-63.2-80.8000111.1S30 I36 V94 W96 Q97 Q103S30-F34 WeakPolarHBondContact O-CD2 3.39Å; S30-F34 PolarHBondContact O-N 3.35Å; S30-F34 VanDerWaalsContact O-N 3.12Å; F34-I36 PolarHBondContact O-N 3.44Å; F34-V94 HydrophobicContact CB-CG2 4.34Å; F34-V94 VanDerWaalsContact O-CG2 3.26Å; F34-V94 WeakPolarHBondContact O-CG2 3.39Å; F34-W96 VanDerWaalsContact CD1-O 3.32Å; F34-W96 WeakPolarHBondContact CD1-O 3.19Å; F34-Q97 HydrophobicContact CD1-CB 4.44Å; F34-Q97 HydrophobicContact CG-CB 4.36Å; F34-Q103 HydrophobicContact CE2-CG 4.43Å
35E96.4Very high97.6Very high157 Ų15760.1 Ų60.173%0.73434%0.335SS*.  trans-81.953.6179.7-60.6-175.4-167.800112.2L31L31-E35 WeakPolarHBondContact O-CG 3.45Å
36I98.5Very high97.7Very high91 Ų9161.6 Ų61.647%0.46734%0.344SS..SBendtrans-108117.3-173.6-56.7173000109.5F34 G38 W96F34-I36 PolarHBondContact O-N 3.44Å; I36-G38 PolarHBondContact O-N 2.69Å; I36-G38 VanDerWaalsContact O-N 3.15Å; I36-W96 HydrophobicContact CB-CB 3.78Å; I36-W96 HydrophobicContact CB-CG 4.23Å; I36-W96 HydrophobicContact CD1-CB 4.11Å; I36-W96 HydrophobicContact CG2-CB 3.81Å; I36-W96 HydrophobicContact CG2-CG 3.83Å
37G97.4Very high97.7Very high57 Ų5758.2 Ų58.259%0.58833%0.328SS*.SBendtrans78.3-15.1171.800000116.8
38G95.6Very high97.7Very high31 Ų3158.3 Ų58.332%0.3233%0.329SS..  trans81.9-164.2170.800000114.7I36 S40 E41I36-G38 PolarHBondContact O-N 2.69Å; I36-G38 VanDerWaalsContact O-N 3.15Å; G38-S40 VanDerWaalsContact C-N 3.27Å; G38-S40 PolarHBondContact O-N 3.38Å; G38-S40 VanDerWaalsContact O-N 3.15Å; G38-E41 PolarHBondContact O-N 3.21Å
39P96.6Very high97.8Very high116 Ų11659.9 Ų59.975%0.75333%0.334SS*.G310 helixtrans-63.2-22.2-168.8-26.435.5000116.2E41 R42P39-E41 PolarHBondContact O-N 3.36Å; P39-R42 WeakPolarHBondContact O-CD 3.38Å; P39-R42 VanDerWaalsContact O-CG 3.26Å; P39-R42 WeakPolarHBondContact O-CG 3.47Å; P39-R42 PolarHBondContact O-N 3.32Å
40S97.3Very high97.9Very high99 Ų9957.7 Ų57.769%0.69233%0.326SS*.G310 helixtrans-69.3-23.1174.858.20000112.8G38 R42G38-S40 VanDerWaalsContact C-N 3.27Å; G38-S40 PolarHBondContact O-N 3.38Å; G38-S40 VanDerWaalsContact O-N 3.15Å; S40-R42 VanDerWaalsContact C-N 3.31Å
41E98.4Very high97.9Very high53 Ų5357.2 Ų57.225%0.24832%0.323CS..G310 helixtrans-93.212.4-178.6-56.4-53.8113.600112.6G38 P39 V94 I95 W96G38-E41 PolarHBondContact O-N 3.21Å; P39-E41 PolarHBondContact O-N 3.36Å; E41-V94 HydrophobicContact CB-CB 4.24Å; E41-V94 HydrophobicContact CB-CG1 4.16Å; E41-V94 CarbonylContact O-C 3.19Å; E41-V94 WeakPolarHBondContact O-CA 3.36Å; E41-V94 VanDerWaalsContact O-CB 3.3Å; E41-V94 WeakPolarHBondContact O-CB 3.28Å; E41-I95 WeakPolarHBondContact O-CG1 3.29Å; E41-I95 PolarHBondContact O-N 3.13Å; E41-W96 PolarHBondContact OE2-NE1 2.98Å
42R98.6Very high98.1Very high77 Ų7754.5 Ų54.529%0.29131%0.309SS..BIsolated β-bridgetrans-54.9147.3174.6-78.5174.867.3-165.3-1.8110.8P39 S40 D88 F91 L93P39-R42 WeakPolarHBondContact O-CD 3.38Å; P39-R42 VanDerWaalsContact O-CG 3.26Å; P39-R42 WeakPolarHBondContact O-CG 3.47Å; P39-R42 PolarHBondContact O-N 3.32Å; S40-R42 VanDerWaalsContact C-N 3.31Å; R42-D88 PolarHBondContact NH2-O 3.28Å; R42-F91 PolarHBondContact NE-O 3.37Å; R42-F91 PolarHBondContact NH2-O 2.97Å; R42-L93 WeakPolarHBondContact CA-O 3.24Å
43M98.8Very high98.2Very high7 Ų750.2 Ų50.23%0.03429%0.288CS..PPolyproline II helixtrans-50.9132.4175.1-172.961.559.600110.2L45 V47 I48 L93 T104 F146 P365M43-L45 PolarHBondContact O-N 3.2Å; M43-V47 HydrophobicContact CG-CB 4.13Å; M43-V47 HydrophobicContact CG-CG1 4.21Å; M43-V47 HydrophobicContact SD-CB 4.34Å; M43-V47 HydrophobicContact SD-CG1 4.22Å; M43-V47 HydrophobicContact SD-CG2 4.35Å; M43-I48 HydrophobicContact CB-CD1 4.25Å; M43-I48 HydrophobicContact CG-CD1 3.99Å; M43-L93 PolarHBondContact N-O 2.93Å; M43-T104 HydrophobicContact CG-CG2 4.3Å; M43-F146 HydrophobicContact CE-CE2 3.9Å; M43-F146 HydrophobicContact CE-CZ 3.87Å; M43-F146 HydrophobicContact SD-CE2 4.17Å; M43-F146 HydrophobicContact SD-CZ 3.92Å; M43-P365 HydrophobicContact CE-CB 4.06Å; M43-P365 HydrophobicContact CE-CG 4.46Å
44P98.8Very high98.2Very high26 Ų2645 Ų4517%0.16926%0.26CS..PPolyproline II helixtrans-56131.3179.4-26.834.5000111.9P46 V47 A369 L372P44-P46 VanDerWaalsContact C-N 3.3Å; P44-V47 HydrophobicContact CB-CG2 4.36Å; P44-V47 WeakPolarHBondContact O-CB 3.5Å; P44-V47 PolarHBondContact O-N 3.31Å; P44-A369 HydrophobicContact CG-CB 4.15Å; P44-L372 HydrophobicContact CB-CD1 3.85Å; P44-L372 HydrophobicContact CG-CD1 4.32Å
45L98.7Very high98.3Very high70 Ų7042 Ų4237%0.36625%0.247SC..Hα-helixtrans-53.9-36.7-179.8-64.7176.6000114M43 V47 I48 H49 D88M43-L45 PolarHBondContact O-N 3.2Å; L45-V47 PolarHBondContact O-N 3.49Å; L45-V47 VanDerWaalsContact O-N 3.16Å; L45-I48 WeakPolarHBondContact O-CA 3.42Å; L45-I48 WeakPolarHBondContact O-CB 3.24Å; L45-I48 PolarHBondContact O-N 2.7Å; L45-H49 PolarHBondContact O-CD2 2.99Å; L45-H49 PolarHBondContact O-N 3.09Å; L45-D88 WeakPolarHBondContact CD1-OD2 3.25Å; L45-D88 HydrophobicContact CD2-CB 3.86Å
46P98.8Very high98.4Very high31 Ų3136.3 Ų36.320%0.20122%0.22CC..Hα-helixtrans-56.1-33.8174.5-2836.2000113.7P44 A50 S153 E157 L372P44-P46 VanDerWaalsContact C-N 3.3Å; P46-A50 VanDerWaalsContact O-CB 3.23Å; P46-A50 WeakPolarHBondContact O-CB 3.25Å; P46-A50 PolarHBondContact O-N 3.4Å; P46-S153 VanDerWaalsContact C-CB 3.47Å; P46-S153 WeakPolarHBondContact O-CB 3.46Å; P46-E157 HydrophobicContact CB-CG 4.04Å; P46-E157 HydrophobicContact CG-CG 4.13Å; P46-E157 WeakPolarHBondContact CG-OE1 3.48Å; P46-L372 HydrophobicContact CB-CD1 4.14Å; P46-L372 HydrophobicContact CB-CD2 4.33Å
47V98.9Very high98.4Very high0 Ų032 Ų320%020%0.198CC..Hα-helixtrans-66.6-42.1174.8-179.40000110.5M43 P44 L45 A50 F51 F146 A149 V368 L372M43-V47 HydrophobicContact CG-CB 4.13Å; M43-V47 HydrophobicContact CG-CG1 4.21Å; M43-V47 HydrophobicContact SD-CB 4.34Å; M43-V47 HydrophobicContact SD-CG1 4.22Å; M43-V47 HydrophobicContact SD-CG2 4.35Å; P44-V47 HydrophobicContact CB-CG2 4.36Å; P44-V47 WeakPolarHBondContact O-CB 3.5Å; P44-V47 PolarHBondContact O-N 3.31Å; L45-V47 PolarHBondContact O-N 3.49Å; L45-V47 VanDerWaalsContact O-N 3.16Å; V47-A50 PolarHBondContact O-N 2.7Å; V47-F51 HydrophobicContact CG1-CD2 4.02Å; V47-F51 HydrophobicContact CG1-CE2 4.05Å; V47-F51 WeakPolarHBondContact O-CD2 3.47Å; V47-F51 PolarHBondContact O-N 3.37Å; V47-F146 HydrophobicContact CG1-CE2 4.14Å; V47-F146 HydrophobicContact CG1-CZ 4.25Å; V47-A149 HydrophobicContact CG1-CB 4.35Å; V47-V368 HydrophobicContact CG2-CG1 4.05Å; V47-V368 HydrophobicContact CG2-CG2 3.99Å; V47-L372 HydrophobicContact CG2-CD1 3.55Å
48I98.9Very high98.4Very high2 Ų229.2 Ų29.21%0.0117%0.17CC..Hα-helixtrans-63.7-45.6178-56.5-53.2000111M43 L45 A50 F51 G52 V82 F91 T104M43-I48 HydrophobicContact CB-CD1 4.25Å; M43-I48 HydrophobicContact CG-CD1 3.99Å; L45-I48 WeakPolarHBondContact O-CA 3.42Å; L45-I48 WeakPolarHBondContact O-CB 3.24Å; L45-I48 PolarHBondContact O-N 2.7Å; I48-A50 VanDerWaalsContact C-N 3.35Å; I48-A50 PolarHBondContact O-N 3.05Å; I48-F51 VanDerWaalsContact O-CB 3.29Å; I48-F51 WeakPolarHBondContact O-CB 3.42Å; I48-F51 PolarHBondContact O-N 3.25Å; I48-G52 PolarHBondContact O-N 3.24Å; I48-G52 VanDerWaalsContact O-N 3.12Å; I48-V82 HydrophobicContact CG2-CG1 4.01Å; I48-V82 WeakPolarHBondContact O-CG1 3.18Å; I48-F91 HydrophobicContact CD1-CB 4.08Å; I48-F91 HydrophobicContact CD1-CD1 3.88Å; I48-F91 HydrophobicContact CD1-CG 4.07Å; I48-F91 HydrophobicContact CG1-CB 4.17Å; I48-F91 HydrophobicContact CG1-CD1 4.42Å; I48-F91 HydrophobicContact CG1-CG 4.18Å; I48-F91 HydrophobicContact CG2-CB 4.4Å; I48-F91 HydrophobicContact CG2-CD1 3.77Å; I48-F91 HydrophobicContact CG2-CD2 3.44Å; I48-F91 VanDerWaalsContact CG2-CD2 3.44Å; I48-F91 HydrophobicContact CG2-CE1 3.78Å; I48-F91 HydrophobicContact CG2-CE2 3.45Å; I48-F91 VanDerWaalsContact CG2-CE2 3.45Å; I48-F91 HydrophobicContact CG2-CG 3.58Å; I48-F91 HydrophobicContact CG2-CZ 3.62Å; I48-T104 HydrophobicContact CD1-CG2 3.88Å
49H98.9Very high98.6Very high45 Ų4528 Ų2821%0.20816%0.156CC..Hα-helixtrans-65.5-39.9178.5-57.5166000111.1L45 F51 G52 I53 V82 G85 D88L45-H49 PolarHBondContact O-CD2 2.99Å; L45-H49 PolarHBondContact O-N 3.09Å; H49-F51 VanDerWaalsContact C-N 3.31Å; H49-F51 PolarHBondContact O-N 3.41Å; H49-G52 WeakPolarHBondContact O-CA 3.44Å; H49-G52 PolarHBondContact O-N 3.23Å; H49-I53 PolarHBondContact O-N 3.01Å; H49-V82 PolarHBondContact CD2-O 2.81Å; H49-G85 WeakPolarHBondContact NE2-CA 3.47Å; H49-D88 IonicContact CD2-OD1 2.66Å; H49-D88 IonicContact CE1-OD1 3.63Å; H49-D88 IonicContact CE1-OD2 2.8Å; H49-D88 IonicContact NE2-OD1 2.8Å; H49-D88 PolarHBondContact NE2-OD1 3.38Å; H49-D88 IonicContact NE2-OD2 3.23Å; H49-D88 PolarHBondContact NE2-OD2 2.62Å
50A98.9Very high98.7Very high2 Ų224.2 Ų24.22%0.01713%0.129CC..Hα-helixtrans-62-35.817300000113.3P46 V47 I48 G52 I53 L54 A149 I152P46-A50 VanDerWaalsContact O-CB 3.23Å; P46-A50 WeakPolarHBondContact O-CB 3.25Å; P46-A50 PolarHBondContact O-N 3.4Å; V47-A50 PolarHBondContact O-N 2.7Å; I48-A50 VanDerWaalsContact C-N 3.35Å; I48-A50 PolarHBondContact O-N 3.05Å; A50-G52 VanDerWaalsContact C-N 3.33Å; A50-I53 PolarHBondContact O-N 3.1Å; A50-L54 WeakPolarHBondContact O-CB 3.45Å; A50-L54 PolarHBondContact O-N 3.01Å; A50-A149 HydrophobicContact CB-CB 4.28Å; A50-A149 WeakPolarHBondContact CB-O 3.23Å; A50-I152 HydrophobicContact CB-CB 3.86Å; A50-I152 HydrophobicContact CB-CG2 3.64Å
51F98.9Very high98.7Very high0 Ų019.8 Ų19.80%010%0.098CC..Hα-helixtrans-62.2-40.2170.8-100.5-70.5000112V47 I48 H49 I53 L54 K55 T104 N105 V108 F146 A149V47-F51 HydrophobicContact CG1-CD2 4.02Å; V47-F51 HydrophobicContact CG1-CE2 4.05Å; V47-F51 WeakPolarHBondContact O-CD2 3.47Å; V47-F51 PolarHBondContact O-N 3.37Å; I48-F51 VanDerWaalsContact O-CB 3.29Å; I48-F51 WeakPolarHBondContact O-CB 3.42Å; I48-F51 PolarHBondContact O-N 3.25Å; H49-F51 VanDerWaalsContact C-N 3.31Å; H49-F51 PolarHBondContact O-N 3.41Å; F51-I53 VanDerWaalsContact C-N 3.33Å; F51-I53 PolarHBondContact O-N 3.34Å; F51-L54 PolarHBondContact O-N 3.03Å; F51-K55 WeakPolarHBondContact O-CB 3.4Å; F51-K55 WeakPolarHBondContact O-CG 3.21Å; F51-K55 PolarHBondContact O-N 3.19Å; F51-T104 HydrophobicContact CD2-CG2 4.03Å; F51-T104 HydrophobicContact CE2-CG2 3.68Å; F51-T104 HydrophobicContact CZ-CG2 4.43Å; F51-N105 HydrophobicContact CE1-CB 3.97Å; F51-N105 HydrophobicContact CZ-CB 4.01Å; F51-V108 HydrophobicContact CB-CB 4.35Å; F51-V108 HydrophobicContact CB-CG1 3.87Å; F51-V108 HydrophobicContact CB-CG2 3.66Å; F51-V108 HydrophobicContact CD1-CB 4.26Å; F51-V108 HydrophobicContact CD1-CG1 4Å; F51-V108 HydrophobicContact CD1-CG2 4.13Å; F51-V108 HydrophobicContact CD2-CG2 4.09Å; F51-V108 HydrophobicContact CG-CB 4.33Å; F51-V108 HydrophobicContact CG-CG1 4.18Å; F51-V108 HydrophobicContact CG-CG2 3.72Å; F51-F146 AromaticContact CE2-CD2 3.65Å; F51-F146 HydrophobicContact CE2-CD2 3.65Å; F51-F146 HydrophobicContact CE2-CE2 4.18Å; F51-F146 HydrophobicContact CE2-CG 4.41Å; F51-F146 HydrophobicContact CZ-CB 4.12Å; F51-F146 AromaticContact CZ-CD2 3.81Å; F51-F146 HydrophobicContact CZ-CD2 3.81Å; F51-F146 HydrophobicContact CZ-CG 4.35Å; F51-A149 HydrophobicContact CD1-CB 4.32Å; F51-A149 HydrophobicContact CD2-CB 3.52Å; F51-A149 HydrophobicContact CE1-CB 4.39Å; F51-A149 HydrophobicContact CE2-CB 3.58Å; F51-A149 HydrophobicContact CG-CB 3.9Å; F51-A149 HydrophobicContact CZ-CB 4.04Å
52G98.8Very high98.7Very high0 Ų017.3 Ų17.30%09%0.087CC..Hα-helixtrans-55-47.3172.100000112.3I48 H49 A50 K55 K56 C79 T83I48-G52 PolarHBondContact O-N 3.24Å; I48-G52 VanDerWaalsContact O-N 3.12Å; H49-G52 WeakPolarHBondContact O-CA 3.44Å; H49-G52 PolarHBondContact O-N 3.23Å; A50-G52 VanDerWaalsContact C-N 3.33Å; G52-K55 PolarHBondContact O-N 3.03Å; G52-K56 VanDerWaalsContact O-CB 3.3Å; G52-K56 WeakPolarHBondContact O-CB 3.35Å; G52-K56 PolarHBondContact O-N 3.47Å; G52-C79 WeakPolarHBondContact O-CB 3.33Å; G52-T83 VanDerWaalsContact C-OG1 3.25Å; G52-T83 WeakPolarHBondContact CA-OG1 3.4Å
53I98.9Very high98.6Very high17 Ų1718 Ų189%0.0879%0.092CC..Hα-helixtrans-61-48.7176.8-63166.2000111.1H49 A50 F51 K55 K56 A57 T83 I152 I156 I252 L255 T256H49-I53 PolarHBondContact O-N 3.01Å; A50-I53 PolarHBondContact O-N 3.1Å; F51-I53 VanDerWaalsContact C-N 3.33Å; F51-I53 PolarHBondContact O-N 3.34Å; I53-K55 PolarHBondContact O-N 2.86Å; I53-K56 PolarHBondContact O-N 3.07Å; I53-A57 PolarHBondContact O-N 3.34Å; I53-T83 HydrophobicContact CD1-CG2 4.05Å; I53-T83 HydrophobicContact CG1-CG2 3.56Å; I53-T83 PolarHBondContact N-OG1 3.45Å; I53-I152 HydrophobicContact CD1-CG2 4.1Å; I53-I156 HydrophobicContact CD1-CD1 3.6Å; I53-I252 HydrophobicContact CG2-CG2 4.25Å; I53-L255 HydrophobicContact CG2-CB 4.34Å; I53-L255 HydrophobicContact CG2-CD1 4.36Å; I53-T256 HydrophobicContact CD1-CG2 4.08Å; I53-T256 HydrophobicContact CG2-CG2 3.96Å
54L98.8Very high98.3Very high0 Ų023.5 Ų23.50%012%0.117CC..Hα-helixtrans-57.8-51.2179179.1164.2000111.3A50 F51 K56 A57 A58 Q140 T145 T148 I152 L229A50-L54 WeakPolarHBondContact O-CB 3.45Å; A50-L54 PolarHBondContact O-N 3.01Å; F51-L54 PolarHBondContact O-N 3.03Å; L54-K56 VanDerWaalsContact C-N 3.32Å; L54-K56 PolarHBondContact O-N 3.33Å; L54-A57 PolarHBondContact O-N 3.35Å; L54-A58 PolarHBondContact O-N 2.87Å; L54-Q140 VanDerWaalsContact CD2-OE1 3.32Å; L54-T145 HydrophobicContact CD1-CG2 4.48Å; L54-T145 VanDerWaalsContact CD1-O 3.27Å; L54-T145 WeakPolarHBondContact CD1-O 3.21Å; L54-T145 HydrophobicContact CD2-CG2 4.17Å; L54-T148 HydrophobicContact CD1-CG2 3.49Å; L54-T148 VanDerWaalsContact CD1-CG2 3.49Å; L54-T148 HydrophobicContact CG-CG2 4.18Å; L54-I152 HydrophobicContact CB-CD1 4.3Å; L54-L229 HydrophobicContact CG-CD2 4.44Å
55K98.8Very high97.9Very high2 Ų227.5 Ų27.51%0.00913%0.132CC..Hα-helixtrans-67.4-35.2-176.9-64.2-64.3177.7178.20111.5F51 G52 I53 A58 A59 N105 V108 N109 I112 V136 N137F51-K55 WeakPolarHBondContact O-CB 3.4Å; F51-K55 WeakPolarHBondContact O-CG 3.21Å; F51-K55 PolarHBondContact O-N 3.19Å; G52-K55 PolarHBondContact O-N 3.03Å; I53-K55 PolarHBondContact O-N 2.86Å; K55-A58 PolarHBondContact O-N 3Å; K55-A59 WeakPolarHBondContact O-CB 3.39Å; K55-A59 PolarHBondContact O-N 2.86Å; K55-N105 WeakPolarHBondContact CE-OD1 3.5Å; K55-N105 PolarHBondContact NZ-OD1 3.13Å; K55-V108 HydrophobicContact CG-CG1 3.78Å; K55-N109 WeakPolarHBondContact CE-OD1 3.44Å; K55-N109 PolarHBondContact NZ-OD1 2.93Å; K55-I112 HydrophobicContact CB-CD1 3.68Å; K55-I112 HydrophobicContact CG-CD1 3.76Å; K55-V136 HydrophobicContact CD-CG1 4.14Å; K55-N137 PolarHBondContact NZ-OD1 3.45Å
56K98.8Very high97.6Very high36 Ų3627.4 Ų27.416%0.15715%0.148CC..Hα-helixtrans-59.6-50.6171.3-179.3168.4176169.10111.3G52 I53 L54 A58 A59 I60 V76 C79 D80 L255G52-K56 VanDerWaalsContact O-CB 3.3Å; G52-K56 WeakPolarHBondContact O-CB 3.35Å; G52-K56 PolarHBondContact O-N 3.47Å; I53-K56 PolarHBondContact O-N 3.07Å; L54-K56 VanDerWaalsContact C-N 3.32Å; L54-K56 PolarHBondContact O-N 3.33Å; K56-A58 PolarHBondContact O-N 3.44Å; K56-A59 PolarHBondContact O-N 3.29Å; K56-I60 HydrophobicContact CG-CD1 3.95Å; K56-I60 WeakPolarHBondContact O-CG1 3.23Å; K56-I60 PolarHBondContact O-N 2.6Å; K56-V76 HydrophobicContact CD-CG1 4.27Å; K56-V76 HydrophobicContact CG-CG1 4.2Å; K56-V76 HydrophobicContact CG-CG2 4.29Å; K56-C79 HydrophobicContact CB-CB 3.69Å; K56-C79 PolarHBondContact N-SG 3.1Å; K56-C79 VanDerWaalsContact N-SG 3.44Å; K56-D80 WeakPolarHBondContact CD-OD1 3.32Å; K56-D80 WeakPolarHBondContact CE-OD1 3.45Å; K56-D80 VanDerWaalsContact NZ-CG 3.3Å; K56-D80 IonicContact NZ-OD1 2.87Å; K56-D80 PolarHBondContact NZ-OD1 3.42Å; K56-D80 IonicContact NZ-OD2 3.72Å; K56-D80 PolarHBondContact NZ-OD2 3.34Å; K56-L255 HydrophobicContact CB-CD1 4.33Å; K56-L255 HydrophobicContact CD-CD1 4.14Å; K56-L255 HydrophobicContact CD-CD2 4.12Å; K56-L255 HydrophobicContact CG-CD1 4.02Å
57A98.7Very high97.5Very high0 Ų026.2 Ų26.20%014%0.139CC..Hα-helixtrans-60.2-46.6178.600000111.8I53 L54 A59 I60 V61 E251 I252 L255I53-A57 PolarHBondContact O-N 3.34Å; L54-A57 PolarHBondContact O-N 3.35Å; A57-A59 PolarHBondContact O-N 3.36Å; A57-I60 PolarHBondContact O-N 3.49Å; A57-V61 WeakPolarHBondContact O-CG2 3.44Å; A57-V61 PolarHBondContact O-N 2.72Å; A57-E251 HydrophobicContact CB-CB 4.05Å; A57-E251 HydrophobicContact CB-CG 4.1Å; A57-I252 HydrophobicContact CB-CD1 4.26Å; A57-I252 HydrophobicContact CB-CG1 3.5Å; A57-I252 VanDerWaalsContact CB-CG1 3.5Å; A57-L255 HydrophobicContact CB-CD1 4.12Å
58A98.6Very high97.5Very high0 Ų030 Ų300%016%0.16CC..Hα-helixtrans-60.4-43.6177.900000112.1L54 K55 K56 I60 V61 N62 Q140 F244L54-A58 PolarHBondContact O-N 2.87Å; K55-A58 PolarHBondContact O-N 3Å; K56-A58 PolarHBondContact O-N 3.44Å; A58-I60 PolarHBondContact O-N 3.17Å; A58-V61 PolarHBondContact O-N 3.33Å; A58-N62 WeakPolarHBondContact O-CB 3.32Å; A58-N62 VanDerWaalsContact O-CG 3.24Å; A58-N62 PolarHBondContact O-N 3.36Å; A58-N62 PolarHBondContact O-ND2 3.3Å; A58-N62 VanDerWaalsContact O-ND2 3.1Å; A58-Q140 HydrophobicContact CB-CG 4.44Å; A58-F244 HydrophobicContact CB-CE2 4.28Å; A58-F244 HydrophobicContact CB-CZ 4.13Å
59A98.5Very high97.4Very high4 Ų433.4 Ų33.43%0.03318%0.182CC..Hα-helixtrans-63.2-40.4176.800000112.5K55 K56 A57 K63 L67 I75 V76K55-A59 WeakPolarHBondContact O-CB 3.39Å; K55-A59 PolarHBondContact O-N 2.86Å; K56-A59 PolarHBondContact O-N 3.29Å; A57-A59 PolarHBondContact O-N 3.36Å; A59-K63 PolarHBondContact O-N 2.85Å; A59-L67 HydrophobicContact CB-CD2 4.28Å; A59-I75 HydrophobicContact CB-CB 4.21Å; A59-I75 HydrophobicContact CB-CG2 3.58Å; A59-V76 HydrophobicContact CB-CG2 4.25Å
60I98.2Very high97.4Very high37 Ų3738 Ų3819%0.1920%0.201CC..Hα-helixtrans-61.9-47.3176.3-69.9166.9000110.7K56 A57 A58 K63 V76 E251K56-I60 HydrophobicContact CG-CD1 3.95Å; K56-I60 WeakPolarHBondContact O-CG1 3.23Å; K56-I60 PolarHBondContact O-N 2.6Å; A57-I60 PolarHBondContact O-N 3.49Å; A58-I60 PolarHBondContact O-N 3.17Å; I60-K63 WeakPolarHBondContact O-CB 3.38Å; I60-K63 WeakPolarHBondContact O-CE 3.41Å; I60-K63 PolarHBondContact O-N 3.46Å; I60-V76 HydrophobicContact CD1-CG2 4.42Å; I60-V76 HydrophobicContact CG1-CG2 3.83Å; I60-E251 HydrophobicContact CB-CG 4.35Å; I60-E251 HydrophobicContact CD1-CG 4.11Å; I60-E251 HydrophobicContact CG2-CG 4.17Å
61V98.1Very high97.4Very high7 Ų738.9 Ų38.94%0.04221%0.206CC..Hα-helixtrans-71-35.7-177.5172.40000111.9A57 A58 K63 E64 Y241 F244 K247 E251A57-V61 WeakPolarHBondContact O-CG2 3.44Å; A57-V61 PolarHBondContact O-N 2.72Å; A58-V61 PolarHBondContact O-N 3.33Å; V61-K63 VanDerWaalsContact C-N 3.27Å; V61-K63 PolarHBondContact O-N 2.88Å; V61-E64 PolarHBondContact O-N 2.96Å; V61-Y241 WeakPolarHBondContact CG1-OH 3.41Å; V61-Y241 PolarHBondContact O-OH 2.98Å; V61-F244 HydrophobicContact CG1-CD2 4.03Å; V61-F244 HydrophobicContact CG1-CE2 4.49Å; V61-K247 HydrophobicContact CG1-CB 3.71Å; V61-K247 HydrophobicContact CG1-CD 4.34Å; V61-K247 HydrophobicContact CG2-CB 3.95Å; V61-E251 HydrophobicContact CG2-CB 4.3Å
62N98.4Very high97.4Very high1 Ų138.9 Ų38.91%0.00521%0.206CC..Hα-helixtrans-70.6-17.3179.4-79.2-36.8000113.6A58 E64 K65 G66 L67 M138 A139 Y241A58-N62 WeakPolarHBondContact O-CB 3.32Å; A58-N62 VanDerWaalsContact O-CG 3.24Å; A58-N62 PolarHBondContact O-N 3.36Å; A58-N62 PolarHBondContact O-ND2 3.3Å; A58-N62 VanDerWaalsContact O-ND2 3.1Å; N62-E64 PolarHBondContact O-N 2.87Å; N62-K65 CarbonylContact O-C 3.45Å; N62-K65 PolarHBondContact O-N 2.89Å; N62-G66 PolarHBondContact O-N 2.92Å; N62-L67 HydrophobicContact CB-CB 3.9Å; N62-L67 HydrophobicContact CB-CD2 4.02Å; N62-L67 WeakPolarHBondContact O-CB 3.23Å; N62-L67 PolarHBondContact O-N 3.14Å; N62-L67 VanDerWaalsContact O-N 3.07Å; N62-M138 HydrophobicContact CB-SD 3.97Å; N62-M138 PolarHBondContact ND2-O 2.95Å; N62-A139 WeakPolarHBondContact OD1-CB 3.46Å; N62-Y241 VanDerWaalsContact OD1-CE1 3.3Å; N62-Y241 WeakPolarHBondContact OD1-CE1 3.45Å; N62-Y241 PolarHBondContact OD1-OH 3Å
63K96.5Very high97.3Very high92 Ų9244.2 Ų44.240%0.423%0.231SC..G310 helixtrans-54.5-37.2170.3-74.6-172.9-70.5178.10111.8A59 I60 V61 K65 A72A59-K63 PolarHBondContact O-N 2.85Å; I60-K63 WeakPolarHBondContact O-CB 3.38Å; I60-K63 WeakPolarHBondContact O-CE 3.41Å; I60-K63 PolarHBondContact O-N 3.46Å; V61-K63 VanDerWaalsContact C-N 3.27Å; V61-K63 PolarHBondContact O-N 2.88Å; K63-K65 PolarHBondContact O-N 3.36Å; K63-A72 HydrophobicContact CD-CB 3.73Å; K63-A72 HydrophobicContact CG-CB 3.4Å
64E91.7Very high97.3Very high121 Ų12143.5 Ų43.557%0.56523%0.228SC*.G310 helixtrans-70.8-13.7179-57.8-178.3175.200113.3V61 N62 K247V61-E64 PolarHBondContact O-N 2.96Å; N62-E64 PolarHBondContact O-N 2.87Å; E64-K247 IonicContact OE2-NZ 3.97Å; E64-K247 PolarHBondContact OE2-NZ 3.4Å
65K90.6Very high97.3Very high111 Ų11143.6 Ų43.648%0.48323%0.228SC..G310 helixtrans-12021.9-177.9-66-54.9-174.4-178.30113.9N62 K63 Y241N62-K65 CarbonylContact O-C 3.45Å; N62-K65 PolarHBondContact O-N 2.89Å; K63-K65 PolarHBondContact O-N 3.36Å; K65-Y241 HydrophobicContact CB-CD1 4.23Å; K65-Y241 HydrophobicContact CB-CE1 3.75Å; K65-Y241 HydrophobicContact CB-CE2 4.41Å; K65-Y241 HydrophobicContact CD-CD2 4.17Å; K65-Y241 HydrophobicContact CD-CE2 4.19Å; K65-Y241 HydrophobicContact CD-CG 4.43Å; K65-Y241 HydrophobicContact CG-CD1 3.88Å; K65-Y241 HydrophobicContact CG-CD2 3.7Å; K65-Y241 HydrophobicContact CG-CE1 3.54Å; K65-Y241 HydrophobicContact CG-CE2 3.34Å; K65-Y241 HydrophobicContact CG-CG 3.94Å
66G93Very high97.3Very high67 Ų6744.8 Ų44.869%0.69124%0.235SC*.THydrogen-bonded Turntrans100.96.4167.500000115.5N62 D68N62-G66 PolarHBondContact O-N 2.92Å; G66-D68 PolarHBondContact O-N 2.8Å
67L97.4Very high97.3Very high6 Ų648.6 Ų48.63%0.03125%0.252CS..  trans-64.9121.4164-17862.6000108.7A59 N62 L71 A72 I75 H135 M138A59-L67 HydrophobicContact CB-CD2 4.28Å; N62-L67 HydrophobicContact CB-CB 3.9Å; N62-L67 HydrophobicContact CB-CD2 4.02Å; N62-L67 WeakPolarHBondContact O-CB 3.23Å; N62-L67 PolarHBondContact O-N 3.14Å; N62-L67 VanDerWaalsContact O-N 3.07Å; L67-L71 HydrophobicContact CD1-CB 4.45Å; L67-A72 HydrophobicContact CD2-CB 3.78Å; L67-A72 HydrophobicContact CG-CB 4.06Å; L67-I75 HydrophobicContact CD2-CD1 4.34Å; L67-H135 HydrophobicContact CD1-CB 4.03Å; L67-M138 HydrophobicContact CB-SD 3.9Å; L67-M138 HydrophobicContact CD1-SD 4.32Å
68D98.1Very high97.3Very high79 Ų7948.6 Ų48.642%0.42225%0.252SS..  trans-51.9129.2179.8172.5-91.5000110.8G66 K70 L71 A72G66-D68 PolarHBondContact O-N 2.8Å; D68-K70 VanDerWaalsContact C-N 3.27Å; D68-K70 PolarHBondContact O-N 3.21Å; D68-K70 WeakPolarHBondContact OD1-CA 3.31Å; D68-K70 WeakPolarHBondContact OD1-CB 3.37Å; D68-K70 PolarHBondContact OD1-N 2.94Å; D68-L71 HydrophobicContact CB-CB 4.26Å; D68-L71 HydrophobicContact CB-CD1 4.06Å; D68-L71 HydrophobicContact CB-CG 3.88Å; D68-L71 PolarHBondContact O-N 2.83Å; D68-L71 VanDerWaalsContact O-N 3.14Å; D68-L71 PolarHBondContact OD1-N 3.22Å; D68-A72 PolarHBondContact O-N 3.07Å
69P97.7Very high97.3Very high75 Ų7548.6 Ų48.649%0.48725%0.252SS..Hα-helixtrans-57.1-36.6-175.9-28.835.9000114.2A72 E73P69-A72 PolarHBondContact O-N 3.46Å; P69-E73 WeakPolarHBondContact O-CG 3.49Å; P69-E73 PolarHBondContact O-N 3.23Å
70K98Very high97.3Very high140 Ų14051.2 Ų51.261%0.60927%0.265SS*.Hα-helixtrans-70.3-39.1180-174.4-178.4179.7-175.30111D68 A74 L120D68-K70 VanDerWaalsContact C-N 3.27Å; D68-K70 PolarHBondContact O-N 3.21Å; D68-K70 WeakPolarHBondContact OD1-CA 3.31Å; D68-K70 WeakPolarHBondContact OD1-CB 3.37Å; D68-K70 PolarHBondContact OD1-N 2.94Å; K70-A74 PolarHBondContact O-N 3.16Å; K70-L120 HydrophobicContact CD-CD2 4.46Å; K70-L120 HydrophobicContact CG-CD2 4.07Å
71L98.4Very high97.4Very high21 Ų2151.2 Ų51.211%0.1127%0.265CS..Hα-helixtrans-65.4-44.7172.4-56.5-172.2000111.3L67 D68 E73 A74 I75 L120 P129 V130L67-L71 HydrophobicContact CD1-CB 4.45Å; D68-L71 HydrophobicContact CB-CB 4.26Å; D68-L71 HydrophobicContact CB-CD1 4.06Å; D68-L71 HydrophobicContact CB-CG 3.88Å; D68-L71 PolarHBondContact O-N 2.83Å; D68-L71 VanDerWaalsContact O-N 3.14Å; D68-L71 PolarHBondContact OD1-N 3.22Å; L71-E73 VanDerWaalsContact C-N 3.33Å; L71-E73 PolarHBondContact O-N 3.45Å; L71-A74 PolarHBondContact O-N 2.94Å; L71-I75 VanDerWaalsContact O-CG1 3.29Å; L71-I75 WeakPolarHBondContact O-CG1 3.47Å; L71-I75 PolarHBondContact O-N 2.83Å; L71-L120 HydrophobicContact CD2-CD1 3.83Å; L71-P129 WeakPolarHBondContact CD1-O 3.45Å; L71-P129 HydrophobicContact CD2-CB 3.78Å; L71-P129 HydrophobicContact CD2-CG 3.84Å; L71-V130 HydrophobicContact CD2-CG2 4Å
72A98.4Very high97.4Very high1 Ų150.9 Ų50.91%0.00826%0.263CS..Hα-helixtrans-59.1-43.3177.900000111.9K63 L67 D68 P69 I75 V76K63-A72 HydrophobicContact CD-CB 3.73Å; K63-A72 HydrophobicContact CG-CB 3.4Å; L67-A72 HydrophobicContact CD2-CB 3.78Å; L67-A72 HydrophobicContact CG-CB 4.06Å; D68-A72 PolarHBondContact O-N 3.07Å; P69-A72 PolarHBondContact O-N 3.46Å; A72-I75 PolarHBondContact O-N 3.09Å; A72-V76 WeakPolarHBondContact O-CB 3.36Å; A72-V76 VanDerWaalsContact O-CG2 3.23Å; A72-V76 WeakPolarHBondContact O-CG2 3.38Å; A72-V76 PolarHBondContact O-N 3.11Å
73E98.4Very high97.4Very high112 Ų11252.6 Ų52.652%0.52327%0.273SS..Hα-helixtrans-62.4-40.9176.2-76.5175.3-163.700112.9P69 L71 V76 K77P69-E73 WeakPolarHBondContact O-CG 3.49Å; P69-E73 PolarHBondContact O-N 3.23Å; L71-E73 VanDerWaalsContact C-N 3.33Å; L71-E73 PolarHBondContact O-N 3.45Å; E73-V76 PolarHBondContact O-N 3.18Å; E73-K77 WeakPolarHBondContact O-CG 3.23Å; E73-K77 PolarHBondContact O-N 3.06Å
74A98.7Very high97.5Very high2 Ų252.7 Ų52.72%0.01728%0.282CS..Hα-helixtrans-67.1-41.4176.400000112K70 L71 K77 A78 A116 I119 L120K70-A74 PolarHBondContact O-N 3.16Å; L71-A74 PolarHBondContact O-N 2.94Å; A74-K77 PolarHBondContact O-N 2.98Å; A74-A78 PolarHBondContact O-N 3.28Å; A74-A116 HydrophobicContact CB-CB 3.95Å; A74-I119 HydrophobicContact CB-CG2 4.32Å; A74-L120 HydrophobicContact CB-CD1 3.73Å; A74-L120 HydrophobicContact CB-CD2 4.05Å; A74-L120 HydrophobicContact CB-CG 3.74Å
75I98.9Very high97.8Very high1 Ų147.9 Ų47.91%0.00526%0.264CS..Hα-helixtrans-60.9-47.4174.1-69.1166.3000110.2A59 L67 L71 A72 K77 A78 C79 I112 A116 V130 H135 V136A59-I75 HydrophobicContact CB-CB 4.21Å; A59-I75 HydrophobicContact CB-CG2 3.58Å; L67-I75 HydrophobicContact CD2-CD1 4.34Å; L71-I75 VanDerWaalsContact O-CG1 3.29Å; L71-I75 WeakPolarHBondContact O-CG1 3.47Å; L71-I75 PolarHBondContact O-N 2.83Å; A72-I75 PolarHBondContact O-N 3.09Å; I75-K77 VanDerWaalsContact C-N 3.32Å; I75-K77 PolarHBondContact O-N 2.99Å; I75-A78 PolarHBondContact O-N 2.94Å; I75-C79 WeakPolarHBondContact O-CB 3.35Å; I75-C79 PolarHBondContact O-N 2.97Å; I75-C79 PolarHBondContact O-SG 3.44Å; I75-I112 HydrophobicContact CB-CG2 4.48Å; I75-I112 HydrophobicContact CG2-CG2 3.85Å; I75-A116 HydrophobicContact CG1-CB 4.31Å; I75-V130 HydrophobicContact CD1-CG1 3.91Å; I75-V130 HydrophobicContact CG1-CG1 3.79Å; I75-H135 HydrophobicContact CD1-CB 4.1Å; I75-V136 HydrophobicContact CD1-CG2 4.25Å; I75-V136 HydrophobicContact CG1-CG2 4.3Å
76V98.7Very high98.2Very high27 Ų2749.9 Ų49.916%0.16427%0.273CS..Hα-helixtrans-57.3-45178.3165.40000111.4K56 A59 I60 A72 E73 C79 D80K56-V76 HydrophobicContact CD-CG1 4.27Å; K56-V76 HydrophobicContact CG-CG1 4.2Å; K56-V76 HydrophobicContact CG-CG2 4.29Å; A59-V76 HydrophobicContact CB-CG2 4.25Å; I60-V76 HydrophobicContact CD1-CG2 4.42Å; I60-V76 HydrophobicContact CG1-CG2 3.83Å; A72-V76 WeakPolarHBondContact O-CB 3.36Å; A72-V76 VanDerWaalsContact O-CG2 3.23Å; A72-V76 WeakPolarHBondContact O-CG2 3.38Å; A72-V76 PolarHBondContact O-N 3.11Å; E73-V76 PolarHBondContact O-N 3.18Å; V76-C79 WeakPolarHBondContact O-CB 3.35Å; V76-C79 PolarHBondContact O-N 2.9Å; V76-D80 PolarHBondContact O-N 2.95Å
77K98.7Very high98.5Very high116 Ų11647.1 Ų47.150%0.50424%0.242SC..Hα-helixtrans-62.3-43.3176.5-72.3173.7-175175.90112.3E73 A74 I75 D80 E81 I119E73-K77 WeakPolarHBondContact O-CG 3.23Å; E73-K77 PolarHBondContact O-N 3.06Å; A74-K77 PolarHBondContact O-N 2.98Å; I75-K77 VanDerWaalsContact C-N 3.32Å; I75-K77 PolarHBondContact O-N 2.99Å; K77-D80 PolarHBondContact O-N 3.17Å; K77-E81 PolarHBondContact O-N 2.95Å; K77-I119 HydrophobicContact CB-CD1 3.89Å; K77-I119 HydrophobicContact CD-CG2 4.38Å
78A98.8Very high98.5Very high0 Ų048.3 Ų48.30%025%0.249CC..Hα-helixtrans-64.3-40.2175.900000112A74 I75 D80 E81 V82 I112 R115 A116 I119A74-A78 PolarHBondContact O-N 3.28Å; I75-A78 PolarHBondContact O-N 2.94Å; A78-D80 VanDerWaalsContact C-N 3.31Å; A78-D80 PolarHBondContact O-N 3.26Å; A78-E81 PolarHBondContact O-N 3.3Å; A78-E81 VanDerWaalsContact O-N 3.16Å; A78-V82 PolarHBondContact O-N 3.24Å; A78-I112 HydrophobicContact CB-CG2 4.09Å; A78-R115 HydrophobicContact CB-CB 3.92Å; A78-R115 HydrophobicContact CB-CG 3.85Å; A78-A116 HydrophobicContact CB-CB 4.34Å; A78-I119 HydrophobicContact CB-CD1 4.42Å
79C98.9Very high98.5Very high0 Ų049.9 Ų49.90%026%0.257CS..Hα-helixtrans-62.7-34.9175-67.30000112.9G52 K56 I75 V76 E81 V82 T83G52-C79 WeakPolarHBondContact O-CB 3.33Å; K56-C79 HydrophobicContact CB-CB 3.69Å; K56-C79 PolarHBondContact N-SG 3.1Å; K56-C79 VanDerWaalsContact N-SG 3.44Å; I75-C79 WeakPolarHBondContact O-CB 3.35Å; I75-C79 PolarHBondContact O-N 2.97Å; I75-C79 PolarHBondContact O-SG 3.44Å; V76-C79 WeakPolarHBondContact O-CB 3.35Å; V76-C79 PolarHBondContact O-N 2.9Å; C79-E81 VanDerWaalsContact C-N 3.3Å; C79-E81 PolarHBondContact O-N 3.35Å; C79-V82 PolarHBondContact O-N 2.96Å; C79-T83 WeakPolarHBondContact O-CB 3.32Å; C79-T83 PolarHBondContact O-N 2.85Å; C79-T83 PolarHBondContact O-OG1 3.21Å
80D98.7Very high98.6Very high59 Ų5947.3 Ų47.332%0.31624%0.239SC..Hα-helixtrans-63.4-37.6174.2-75.7-28.9000111.5K56 V76 K77 A78 T83 T84K56-D80 WeakPolarHBondContact CD-OD1 3.32Å; K56-D80 WeakPolarHBondContact CE-OD1 3.45Å; K56-D80 VanDerWaalsContact NZ-CG 3.3Å; K56-D80 IonicContact NZ-OD1 2.87Å; K56-D80 PolarHBondContact NZ-OD1 3.42Å; K56-D80 IonicContact NZ-OD2 3.72Å; K56-D80 PolarHBondContact NZ-OD2 3.34Å; V76-D80 PolarHBondContact O-N 2.95Å; K77-D80 PolarHBondContact O-N 3.17Å; A78-D80 VanDerWaalsContact C-N 3.31Å; A78-D80 PolarHBondContact O-N 3.26Å; D80-T83 PolarHBondContact O-N 2.95Å; D80-T84 WeakPolarHBondContact O-CB 3.23Å; D80-T84 VanDerWaalsContact O-CG2 3.29Å; D80-T84 WeakPolarHBondContact O-CG2 3.37Å; D80-T84 PolarHBondContact O-N 3.11Å; D80-T84 PolarHBondContact O-OG1 3.32Å
81E98.8Very high98.6Very high37 Ų3740.9 Ų40.917%0.17321%0.211CC..Hα-helixtrans-69.8-37.8175-63.8-176.7-179.800112.6K77 A78 C79 T84 G85 K86 L87 R115K77-E81 PolarHBondContact O-N 2.95Å; A78-E81 PolarHBondContact O-N 3.3Å; A78-E81 VanDerWaalsContact O-N 3.16Å; C79-E81 VanDerWaalsContact C-N 3.3Å; C79-E81 PolarHBondContact O-N 3.35Å; E81-T84 PolarHBondContact O-OG1 3.23Å; E81-G85 PolarHBondContact O-N 3.46Å; E81-K86 HydrophobicContact CB-CB 4.17Å; E81-K86 HydrophobicContact CB-CD 4.38Å; E81-K86 HydrophobicContact CG-CD 4.12Å; E81-K86 PolarHBondContact O-N 2.95Å; E81-L87 HydrophobicContact CB-CD1 3.8Å; E81-L87 HydrophobicContact CB-CG 3.95Å; E81-R115 IonicContact OE1-CZ 3.31Å; E81-R115 IonicContact OE1-NE 3.77Å; E81-R115 PolarHBondContact OE1-NE 3.26Å; E81-R115 IonicContact OE1-NH2 2.73Å; E81-R115 PolarHBondContact OE1-NH2 3.38Å; E81-R115 IonicContact OE2-CZ 2.64Å; E81-R115 IonicContact OE2-NE 3.21Å; E81-R115 PolarHBondContact OE2-NE 3.45Å; E81-R115 IonicContact OE2-NH2 2.98Å; E81-R115 PolarHBondContact OE2-NH2 3.13Å
82V98.8Very high98.6Very high0 Ų041.3 Ų41.30%022%0.215CC..Hα-helixtrans-63.2-47.5171.3176.10000110.9I48 H49 A78 C79 T84 G85 L87 F91 V111 I112I48-V82 HydrophobicContact CG2-CG1 4.01Å; I48-V82 WeakPolarHBondContact O-CG1 3.18Å; H49-V82 PolarHBondContact CD2-O 2.81Å; A78-V82 PolarHBondContact O-N 3.24Å; C79-V82 PolarHBondContact O-N 2.96Å; V82-T84 VanDerWaalsContact C-N 3.28Å; V82-T84 PolarHBondContact O-N 2.8Å; V82-G85 PolarHBondContact O-N 2.69Å; V82-L87 HydrophobicContact CG2-CB 4.47Å; V82-L87 HydrophobicContact CG2-CD1 3.85Å; V82-F91 HydrophobicContact CG1-CE2 4.33Å; V82-F91 HydrophobicContact CG1-CZ 3.95Å; V82-F91 HydrophobicContact CG2-CZ 4.06Å; V82-V111 HydrophobicContact CG2-CG1 4.35Å; V82-I112 HydrophobicContact CG2-CD1 4.45Å; V82-I112 HydrophobicContact CG2-CG1 3.86Å
83T98.6Very high98.6Very high38 Ų3841.5 Ų41.523%0.23322%0.216CC..Hα-helixtrans-64.1-33.3-177-55.20000112.2G52 I53 C79 D80 G85G52-T83 VanDerWaalsContact C-OG1 3.25Å; G52-T83 WeakPolarHBondContact CA-OG1 3.4Å; I53-T83 HydrophobicContact CD1-CG2 4.05Å; I53-T83 HydrophobicContact CG1-CG2 3.56Å; I53-T83 PolarHBondContact N-OG1 3.45Å; C79-T83 WeakPolarHBondContact O-CB 3.32Å; C79-T83 PolarHBondContact O-N 2.85Å; C79-T83 PolarHBondContact O-OG1 3.21Å; D80-T83 PolarHBondContact O-N 2.95Å; T83-G85 VanDerWaalsContact C-N 3.34Å
84T98.1Very high98.6Very high93 Ų9336.8 Ų36.857%0.57120%0.195SC*.THydrogen-bonded Turntrans-89.13.3-179.354.50000113.9D80 E81 V82 K86D80-T84 WeakPolarHBondContact O-CB 3.23Å; D80-T84 VanDerWaalsContact O-CG2 3.29Å; D80-T84 WeakPolarHBondContact O-CG2 3.37Å; D80-T84 PolarHBondContact O-N 3.11Å; D80-T84 PolarHBondContact O-OG1 3.32Å; E81-T84 PolarHBondContact O-OG1 3.23Å; V82-T84 VanDerWaalsContact C-N 3.28Å; V82-T84 PolarHBondContact O-N 2.8Å; T84-K86 VanDerWaalsContact C-N 3.31Å; T84-K86 PolarHBondContact O-N 2.85Å
85G98.4Very high98.6Very high20 Ų2037.7 Ų37.721%0.20620%0.199CC..THydrogen-bonded Turntrans77.77.5178.100000115.6H49 E81 V82 T83 L87 D88H49-G85 WeakPolarHBondContact NE2-CA 3.47Å; E81-G85 PolarHBondContact O-N 3.46Å; V82-G85 PolarHBondContact O-N 2.69Å; T83-G85 VanDerWaalsContact C-N 3.34Å; G85-L87 PolarHBondContact O-N 3.08Å; G85-L87 VanDerWaalsContact O-N 3.15Å; G85-D88 WeakPolarHBondContact CA-OD1 3.2Å; G85-D88 VanDerWaalsContact O-CG 3.29Å; G85-D88 PolarHBondContact O-N 2.88Å
86K98.7Very high98.6Very high154 Ų15442.2 Ų42.267%0.6722%0.216SC*.THydrogen-bonded Turntrans-65.3-18.5179.1-69.9179.7178.7178.60113.2E81 T84E81-K86 HydrophobicContact CB-CB 4.17Å; E81-K86 HydrophobicContact CB-CD 4.38Å; E81-K86 HydrophobicContact CG-CD 4.12Å; E81-K86 PolarHBondContact O-N 2.95Å; T84-K86 VanDerWaalsContact C-N 3.31Å; T84-K86 PolarHBondContact O-N 2.85Å
87L98.7Very high98.6Very high8 Ų841.9 Ų41.94%0.04221%0.213CC..THydrogen-bonded Turntrans-115.715.9-175.1-59.8179.4000113.3Y22 E81 V82 G85 D89 H90 F91 V111 R115Y22-L87 HydrophobicContact CD2-CD2 3.88Å; Y22-L87 HydrophobicContact CE2-CD2 3.68Å; E81-L87 HydrophobicContact CB-CD1 3.8Å; E81-L87 HydrophobicContact CB-CG 3.95Å; V82-L87 HydrophobicContact CG2-CB 4.47Å; V82-L87 HydrophobicContact CG2-CD1 3.85Å; G85-L87 PolarHBondContact O-N 3.08Å; G85-L87 VanDerWaalsContact O-N 3.15Å; L87-D89 PolarHBondContact O-N 2.6Å; L87-D89 VanDerWaalsContact O-N 3.09Å; L87-H90 WeakPolarHBondContact O-CB 3.43Å; L87-H90 PolarHBondContact O-CD2 2.98Å; L87-H90 VanDerWaalsContact O-CD2 3.27Å; L87-H90 PolarHBondContact O-N 3.26Å; L87-F91 HydrophobicContact CB-CE2 4.2Å; L87-F91 WeakPolarHBondContact O-CD2 3.29Å; L87-F91 WeakPolarHBondContact O-CE2 3.41Å; L87-V111 HydrophobicContact CB-CG1 4.38Å; L87-V111 HydrophobicContact CD1-CG1 4.02Å; L87-R115 HydrophobicContact CD1-CB 4.42Å; L87-R115 HydrophobicContact CD1-CG 4.2Å
88D98.7Very high98.6Very high31 Ų3138.4 Ų38.417%0.16620%0.201CC..G310 helixtrans-57.4-29.6-173.7-74.7-9.7000113.7R42 L45 H49 G85 H90 F91R42-D88 PolarHBondContact NH2-O 3.28Å; L45-D88 WeakPolarHBondContact CD1-OD2 3.25Å; L45-D88 HydrophobicContact CD2-CB 3.86Å; H49-D88 IonicContact CD2-OD1 2.66Å; H49-D88 IonicContact CE1-OD1 3.63Å; H49-D88 IonicContact CE1-OD2 2.8Å; H49-D88 IonicContact NE2-OD1 2.8Å; H49-D88 PolarHBondContact NE2-OD1 3.38Å; H49-D88 IonicContact NE2-OD2 3.23Å; H49-D88 PolarHBondContact NE2-OD2 2.62Å; G85-D88 WeakPolarHBondContact CA-OD1 3.2Å; G85-D88 VanDerWaalsContact O-CG 3.29Å; G85-D88 PolarHBondContact O-N 2.88Å; D88-H90 PolarHBondContact O-N 3.2Å; D88-H90 VanDerWaalsContact O-N 3.15Å; D88-F91 PolarHBondContact O-N 3.28Å
89D98.3Very high98.6Very high113 Ų11339.3 Ų39.360%0.60421%0.21SC*.G310 helixtrans-72.8-0.9178.5-73.3-22.8000114.7K21 L87K21-D89 PolarHBondContact NZ-O 2.81Å; L87-D89 PolarHBondContact O-N 2.6Å; L87-D89 VanDerWaalsContact O-N 3.09Å
90H98.7Very high98.6Very high20 Ų2039.6 Ų39.69%0.09321%0.212CC..G310 helixtrans-103.68.4177.8-54.4-75.9000113.5D20 Y22 L87 D88 P92 N107 V111D20-H90 PolarHBondContact O-CE1 2.7Å; Y22-H90 AromaticContact CD2-CD2 3.58Å; Y22-H90 AromaticContact CD2-CE1 3.36Å; Y22-H90 WeakPolarHBondContact CD2-CE1 3.47Å; Y22-H90 AromaticContact CD2-CG 3.8Å; Y22-H90 AromaticContact CD2-ND1 3.69Å; Y22-H90 AromaticContact CD2-NE2 3.29Å; Y22-H90 VanDerWaalsContact CD2-NE2 3.29Å; Y22-H90 WeakPolarHBondContact CD2-NE2 3.35Å; Y22-H90 AromaticContact CE2-CE1 3.84Å; Y22-H90 AromaticContact CE2-NE2 3.6Å; Y22-H90 PolarHBondContact N-ND1 3.4Å; Y22-H90 VanDerWaalsContact N-ND1 3.11Å; L87-H90 WeakPolarHBondContact O-CB 3.43Å; L87-H90 PolarHBondContact O-CD2 2.98Å; L87-H90 VanDerWaalsContact O-CD2 3.27Å; L87-H90 PolarHBondContact O-N 3.26Å; D88-H90 PolarHBondContact O-N 3.2Å; D88-H90 VanDerWaalsContact O-N 3.15Å; H90-P92 VanDerWaalsContact C-CD 3.47Å; H90-P92 VanDerWaalsContact O-CD 3.24Å; H90-P92 WeakPolarHBondContact O-CD 3.32Å; H90-N107 PolarHBondContact O-ND2 3.11Å; H90-V111 HydrophobicContact CB-CG1 4.2Å; H90-V111 HydrophobicContact CB-CG2 3.69Å
91F98.7Very high98.6Very high5 Ų536.8 Ų36.82%0.02220%0.197CC..  trans-118.576.4-179.6-59.6-81.8000111.7R42 I48 V82 L87 D88 N107 V108 V111R42-F91 PolarHBondContact NE-O 3.37Å; R42-F91 PolarHBondContact NH2-O 2.97Å; I48-F91 HydrophobicContact CD1-CB 4.08Å; I48-F91 HydrophobicContact CD1-CD1 3.88Å; I48-F91 HydrophobicContact CD1-CG 4.07Å; I48-F91 HydrophobicContact CG1-CB 4.17Å; I48-F91 HydrophobicContact CG1-CD1 4.42Å; I48-F91 HydrophobicContact CG1-CG 4.18Å; I48-F91 HydrophobicContact CG2-CB 4.4Å; I48-F91 HydrophobicContact CG2-CD1 3.77Å; I48-F91 HydrophobicContact CG2-CD2 3.44Å; I48-F91 VanDerWaalsContact CG2-CD2 3.44Å; I48-F91 HydrophobicContact CG2-CE1 3.78Å; I48-F91 HydrophobicContact CG2-CE2 3.45Å; I48-F91 VanDerWaalsContact CG2-CE2 3.45Å; I48-F91 HydrophobicContact CG2-CG 3.58Å; I48-F91 HydrophobicContact CG2-CZ 3.62Å; V82-F91 HydrophobicContact CG1-CE2 4.33Å; V82-F91 HydrophobicContact CG1-CZ 3.95Å; V82-F91 HydrophobicContact CG2-CZ 4.06Å; L87-F91 HydrophobicContact CB-CE2 4.2Å; L87-F91 WeakPolarHBondContact O-CD2 3.29Å; L87-F91 WeakPolarHBondContact O-CE2 3.41Å; D88-F91 PolarHBondContact O-N 3.28Å; F91-N107 WeakPolarHBondContact CA-OD1 3.33Å; F91-N107 WeakPolarHBondContact CD1-OD1 3.28Å; F91-V108 HydrophobicContact CD1-CG2 4.27Å; F91-V108 HydrophobicContact CE1-CB 4.34Å; F91-V108 HydrophobicContact CE1-CG2 3.64Å; F91-V111 HydrophobicContact CE1-CB 4.2Å; F91-V111 HydrophobicContact CE1-CG1 4.46Å; F91-V111 HydrophobicContact CE1-CG2 4.06Å; F91-V111 HydrophobicContact CE2-CG1 4.18Å; F91-V111 HydrophobicContact CZ-CB 3.96Å; F91-V111 HydrophobicContact CZ-CG1 3.73Å; F91-V111 HydrophobicContact CZ-CG2 4.1Å
92P98.3Very high98.5Very high31 Ų3136.4 Ų36.420%0.20120%0.198CC..  trans-88-5.8-17037.5-38.7000113.6Y23 T27 L31 H90Y23-P92 HydrophobicContact CD1-CG 4.04Å; Y23-P92 HydrophobicContact CE1-CG 3.92Å; T27-P92 HydrophobicContact CG2-CG 3.84Å; L31-P92 HydrophobicContact CD1-CB 4.11Å; L31-P92 HydrophobicContact CD1-CG 3.65Å; L31-P92 HydrophobicContact CD2-CB 3.81Å; L31-P92 HydrophobicContact CD2-CG 3.88Å; L31-P92 HydrophobicContact CG-CB 4.44Å; L31-P92 HydrophobicContact CG-CG 4.03Å; H90-P92 VanDerWaalsContact C-CD 3.47Å; H90-P92 VanDerWaalsContact O-CD 3.24Å; H90-P92 WeakPolarHBondContact O-CD 3.32Å
93L98.6Very high98.5Very high5 Ų537.4 Ų37.43%0.02620%0.202CC..  trans-72.9145.5-173.2-57.5-176.2000112.7T27 L31 R42 M43 Q103 N107T27-L93 HydrophobicContact CG2-CD1 4.36Å; T27-L93 HydrophobicContact CG2-CD2 3.95Å; T27-L93 HydrophobicContact CG2-CG 4.06Å; L31-L93 HydrophobicContact CD2-CD2 3.95Å; L31-L93 HydrophobicContact CG-CD2 3.9Å; R42-L93 WeakPolarHBondContact CA-O 3.24Å; M43-L93 PolarHBondContact N-O 2.93Å; L93-Q103 VanDerWaalsContact CD1-C 3.47Å; L93-Q103 HydrophobicContact CD1-CB 3.61Å; L93-Q103 WeakPolarHBondContact CD1-O 3.38Å; L93-N107 HydrophobicContact CD1-CB 3.75Å; L93-N107 HydrophobicContact CG-CB 4.45Å
94V98.7Very high98.5Very high13 Ų1335.7 Ų35.78%0.07919%0.192CC..BIsolated β-bridgetrans-87.9163.8-179.1-62.10000113F34 E41 W96 Q97F34-V94 HydrophobicContact CB-CG2 4.34Å; F34-V94 VanDerWaalsContact O-CG2 3.26Å; F34-V94 WeakPolarHBondContact O-CG2 3.39Å; E41-V94 HydrophobicContact CB-CB 4.24Å; E41-V94 HydrophobicContact CB-CG1 4.16Å; E41-V94 CarbonylContact O-C 3.19Å; E41-V94 WeakPolarHBondContact O-CA 3.36Å; E41-V94 VanDerWaalsContact O-CB 3.3Å; E41-V94 WeakPolarHBondContact O-CB 3.28Å; V94-W96 HydrophobicContact CG2-CB 4.12Å; V94-W96 PolarHBondContact O-N 3.46Å; V94-Q97 PolarHBondContact O-NE2 2.95Å
95I98.7Very high98.6Very high20 Ų2031.4 Ų31.410%0.10317%0.165CC..SBendtrans-57-39.1170.5-64.9157.2000110.4E41 Q97 P365 V366 A369E41-I95 WeakPolarHBondContact O-CG1 3.29Å; E41-I95 PolarHBondContact O-N 3.13Å; I95-Q97 PolarHBondContact O-N 3.14Å; I95-P365 HydrophobicContact CG2-CB 4.01Å; I95-P365 WeakPolarHBondContact O-CB 3.28Å; I95-V366 HydrophobicContact CG2-CB 4.48Å; I95-A369 HydrophobicContact CD1-CB 3.59Å; I95-A369 HydrophobicContact CG1-CB 3.89Å; I95-A369 HydrophobicContact CG2-CB 3.92Å
96W98.7Very high98.6Very high97 Ų9732.4 Ų32.437%0.36717%0.165SC..SBendtrans-79.555.2-174.7-45.3115.1000113F34 I36 E41 V94 V366F34-W96 VanDerWaalsContact CD1-O 3.32Å; F34-W96 WeakPolarHBondContact CD1-O 3.19Å; I36-W96 HydrophobicContact CB-CB 3.78Å; I36-W96 HydrophobicContact CB-CG 4.23Å; I36-W96 HydrophobicContact CD1-CB 4.11Å; I36-W96 HydrophobicContact CG2-CB 3.81Å; I36-W96 HydrophobicContact CG2-CG 3.83Å; E41-W96 PolarHBondContact OE2-NE1 2.98Å; V94-W96 HydrophobicContact CG2-CB 4.12Å; V94-W96 PolarHBondContact O-N 3.46Å; W96-V366 HydrophobicContact CH2-CG2 3.83Å; W96-V366 HydrophobicContact CZ3-CB 3.94Å; W96-V366 HydrophobicContact CZ3-CG2 3.64Å
97Q98.6Very high98.6Very high20 Ų2025.1 Ų25.19%0.09313%0.133CC..SBendtrans-110.1-157.1-178.870.8179.7-10000111.1F34 V94 I95 G99 Q103 T104 P365F34-Q97 HydrophobicContact CD1-CB 4.44Å; F34-Q97 HydrophobicContact CG-CB 4.36Å; V94-Q97 PolarHBondContact O-NE2 2.95Å; I95-Q97 PolarHBondContact O-N 3.14Å; Q97-G99 PolarHBondContact O-N 2.93Å; Q97-Q103 VanDerWaalsContact CB-OE1 3.27Å; Q97-T104 PolarHBondContact NE2-OG1 3.34Å; Q97-T104 PolarHBondContact OE1-OG1 3.5Å; Q97-P365 HydrophobicContact CG-CG 4.22Å
98T98.4Very high98.6Very high43 Ų4324.7 Ų24.726%0.26413%0.131SC..  trans-56.3137.8167.6-171.20000110.8S100 G101 Q103T98-S100 WeakPolarHBondContact CG2-OG 3.25Å; T98-S100 PolarHBondContact O-N 3.46Å; T98-S100 VanDerWaalsContact O-N 3.12Å; T98-G101 PolarHBondContact O-N 3.24Å; T98-Q103 VanDerWaalsContact CB-NE2 3.35Å
99G98.5Very high98.6Very high18 Ų1823.5 Ų23.519%0.18613%0.125CC..THydrogen-bonded Turntrans-62.9-20-177.300000115.4Q97 V362 K364 P365Q97-G99 PolarHBondContact O-N 2.93Å; G99-V362 CarbonylContact C-O 3.58Å; G99-V362 WeakPolarHBondContact CA-O 3.46Å; G99-V362 CarbonylContact O-C 3.59Å; G99-V362 WeakPolarHBondContact O-CA 3.33Å; G99-K364 WeakPolarHBondContact O-CB 3.01Å; G99-K364 VanDerWaalsContact O-CG 3.32Å; G99-K364 WeakPolarHBondContact O-CG 3.26Å; G99-K364 PolarHBondContact O-N 2.95Å; G99-P365 WeakPolarHBondContact O-CD 3.28Å
100S98.5Very high98.6Very high7 Ų718.3 Ų18.35%0.04910%0.097CC..THydrogen-bonded Turntrans-81.6-13.7172.958.60000113.5T98 T102 F146T98-S100 WeakPolarHBondContact CG2-OG 3.25Å; T98-S100 PolarHBondContact O-N 3.46Å; T98-S100 VanDerWaalsContact O-N 3.12Å; S100-T102 VanDerWaalsContact C-N 3.31Å; S100-T102 PolarHBondContact OG-OG1 3.4Å; S100-F146 VanDerWaalsContact O-CB 3.27Å; S100-F146 WeakPolarHBondContact O-CB 3.48Å
101G98.6Very high98.6Very high0 Ų017.3 Ų17.30%09%0.092CC..  trans74.517.5-17300000114.6T98 Q103 T104 N105 F146T98-G101 PolarHBondContact O-N 3.24Å; G101-Q103 VanDerWaalsContact C-N 3.3Å; G101-Q103 PolarHBondContact O-N 3Å; G101-T104 PolarHBondContact O-N 3.08Å; G101-N105 PolarHBondContact O-N 3.4Å; G101-N105 VanDerWaalsContact O-N 3.11Å; G101-F146 VanDerWaalsContact CA-CD2 3.48Å; G101-F146 WeakPolarHBondContact O-CD2 3.41Å
102T98.4Very high98.7Very high29 Ų2917.1 Ų17.118%0.1789%0.091CC..Hα-helixtrans-56.6-38179.8-59.40000112.9S100 N105 M106 S142S100-T102 VanDerWaalsContact C-N 3.31Å; S100-T102 PolarHBondContact OG-OG1 3.4Å; T102-N105 PolarHBondContact O-N 3.04Å; T102-M106 HydrophobicContact CG2-CE 4.09Å; T102-M106 HydrophobicContact CG2-CG 4.31Å; T102-M106 HydrophobicContact CG2-SD 4.2Å; T102-M106 WeakPolarHBondContact O-CG 3.5Å; T102-M106 PolarHBondContact O-N 2.98Å; T102-S142 VanDerWaalsContact CG2-CB 3.46Å; T102-S142 WeakPolarHBondContact OG1-CB 3.46Å; T102-S142 PolarHBondContact OG1-OG 2.83Å
103Q98.6Very high98.7Very high21 Ų2115.7 Ų15.710%0.0988%0.082CC..Hα-helixtrans-66.9-39.7-179.9-59.195.5-4.300111.8S30 F34 L93 Q97 T98 G101 M106 N107S30-Q103 WeakPolarHBondContact OG-CG 3.47Å; F34-Q103 HydrophobicContact CE2-CG 4.43Å; L93-Q103 VanDerWaalsContact CD1-C 3.47Å; L93-Q103 HydrophobicContact CD1-CB 3.61Å; L93-Q103 WeakPolarHBondContact CD1-O 3.38Å; Q97-Q103 VanDerWaalsContact CB-OE1 3.27Å; T98-Q103 VanDerWaalsContact CB-NE2 3.35Å; G101-Q103 VanDerWaalsContact C-N 3.3Å; G101-Q103 PolarHBondContact O-N 3Å; Q103-M106 HydrophobicContact CB-CE 4.43Å; Q103-M106 HydrophobicContact CG-CE 4.17Å; Q103-M106 PolarHBondContact O-N 3.25Å; Q103-N107 WeakPolarHBondContact O-CB 3.2Å; Q103-N107 PolarHBondContact O-N 3.21Å
104T98.8Very high98.7Very high1 Ų115.7 Ų15.71%0.0068%0.082CC..Hα-helixtrans-63.1-40.9172.3-74.20000112.1M43 I48 F51 Q97 G101 M106 N107 V108 F146M43-T104 HydrophobicContact CG-CG2 4.3Å; I48-T104 HydrophobicContact CD1-CG2 3.88Å; F51-T104 HydrophobicContact CD2-CG2 4.03Å; F51-T104 HydrophobicContact CE2-CG2 3.68Å; F51-T104 HydrophobicContact CZ-CG2 4.43Å; Q97-T104 PolarHBondContact NE2-OG1 3.34Å; Q97-T104 PolarHBondContact OE1-OG1 3.5Å; G101-T104 PolarHBondContact O-N 3.08Å; T104-M106 VanDerWaalsContact C-N 3.34Å; T104-M106 PolarHBondContact O-N 2.9Å; T104-N107 PolarHBondContact O-N 2.86Å; T104-V108 HydrophobicContact CG2-CG2 4.46Å; T104-V108 VanDerWaalsContact O-CG2 3.3Å; T104-V108 WeakPolarHBondContact O-CG2 3.32Å; T104-V108 PolarHBondContact O-N 3.03Å; T104-F146 HydrophobicContact CG2-CD2 4.41Å; T104-F146 HydrophobicContact CG2-CE2 4.09Å
105N98.8Very high98.7Very high3 Ų317.3 Ų17.32%0.0169%0.087CC..Hα-helixtrans-59.1-45.1173.2176.957.6000111.7F51 K55 G101 T102 V108 N109 N137 T145F51-N105 HydrophobicContact CE1-CB 3.97Å; F51-N105 HydrophobicContact CZ-CB 4.01Å; K55-N105 WeakPolarHBondContact CE-OD1 3.5Å; K55-N105 PolarHBondContact NZ-OD1 3.13Å; G101-N105 PolarHBondContact O-N 3.4Å; G101-N105 VanDerWaalsContact O-N 3.11Å; T102-N105 PolarHBondContact O-N 3.04Å; N105-V108 PolarHBondContact O-N 3.43Å; N105-N109 PolarHBondContact ND2-ND2 2.81Å; N105-N109 PolarHBondContact O-N 3.46Å; N105-N109 PolarHBondContact O-ND2 3.4Å; N105-N137 PolarHBondContact ND2-OD1 2.9Å; N105-N137 PolarHBondContact OD1-OD1 2.96Å; N105-T145 VanDerWaalsContact CG-OG1 3.23Å; N105-T145 PolarHBondContact OD1-OG1 3.45Å
106M98.5Very high98.7Very high41 Ų4116.3 Ų16.320%0.2028%0.082CC..Hα-helixtrans-63.4-42.4176.7-70.6-172.7-5400111.9Q26 T102 Q103 T104 V108 N109 E110Q26-M106 HydrophobicContact CB-CB 4.29Å; Q26-M106 HydrophobicContact CB-CE 4.3Å; Q26-M106 HydrophobicContact CB-SD 4.28Å; Q26-M106 HydrophobicContact CG-SD 4.29Å; Q26-M106 PolarHBondContact NE2-SD 3.04Å; Q26-M106 PolarHBondContact OE1-SD 3.07Å; Q26-M106 VanDerWaalsContact OE1-SD 3.32Å; T102-M106 HydrophobicContact CG2-CE 4.09Å; T102-M106 HydrophobicContact CG2-CG 4.31Å; T102-M106 HydrophobicContact CG2-SD 4.2Å; T102-M106 WeakPolarHBondContact O-CG 3.5Å; T102-M106 PolarHBondContact O-N 2.98Å; Q103-M106 HydrophobicContact CB-CE 4.43Å; Q103-M106 HydrophobicContact CG-CE 4.17Å; Q103-M106 PolarHBondContact O-N 3.25Å; T104-M106 VanDerWaalsContact C-N 3.34Å; T104-M106 PolarHBondContact O-N 2.9Å; M106-V108 VanDerWaalsContact C-N 3.35Å; M106-V108 PolarHBondContact O-N 3.28Å; M106-N109 WeakPolarHBondContact O-CB 3.26Å; M106-N109 PolarHBondContact O-N 2.83Å; M106-N109 VanDerWaalsContact O-N 3.15Å; M106-E110 WeakPolarHBondContact O-CG 3.46Å; M106-E110 PolarHBondContact O-N 3.24Å
107N98.8Very high98.7Very high1 Ų111.7 Ų11.71%0.0057%0.065CC..Hα-helixtrans-60-44.6176.3177.7-165.6000111.9T27 H90 F91 L93 Q103 T104 E110 V111T27-N107 HydrophobicContact CG2-CB 4.12Å; T27-N107 WeakPolarHBondContact OG1-CA 3.5Å; T27-N107 VanDerWaalsContact OG1-CB 3.27Å; T27-N107 WeakPolarHBondContact OG1-CB 3.46Å; T27-N107 PolarHBondContact OG1-ND2 2.99Å; H90-N107 PolarHBondContact O-ND2 3.11Å; F91-N107 WeakPolarHBondContact CA-OD1 3.33Å; F91-N107 WeakPolarHBondContact CD1-OD1 3.28Å; L93-N107 HydrophobicContact CD1-CB 3.75Å; L93-N107 HydrophobicContact CG-CB 4.45Å; Q103-N107 WeakPolarHBondContact O-CB 3.2Å; Q103-N107 PolarHBondContact O-N 3.21Å; T104-N107 PolarHBondContact O-N 2.86Å; N107-E110 PolarHBondContact O-N 3.12Å; N107-V111 WeakPolarHBondContact O-CB 3.46Å; N107-V111 VanDerWaalsContact O-CG2 3.3Å; N107-V111 WeakPolarHBondContact O-CG2 3.25Å; N107-V111 PolarHBondContact O-N 3.21Å
108V98.9Very high98.7Very high0 Ų014.3 Ų14.30%08%0.077CC..Hα-helixtrans-58.8-47.5172.4167.20000111.4F51 K55 F91 T104 N105 M106 E110 V111 I112F51-V108 HydrophobicContact CB-CB 4.35Å; F51-V108 HydrophobicContact CB-CG1 3.87Å; F51-V108 HydrophobicContact CB-CG2 3.66Å; F51-V108 HydrophobicContact CD1-CB 4.26Å; F51-V108 HydrophobicContact CD1-CG1 4Å; F51-V108 HydrophobicContact CD1-CG2 4.13Å; F51-V108 HydrophobicContact CD2-CG2 4.09Å; F51-V108 HydrophobicContact CG-CB 4.33Å; F51-V108 HydrophobicContact CG-CG1 4.18Å; F51-V108 HydrophobicContact CG-CG2 3.72Å; K55-V108 HydrophobicContact CG-CG1 3.78Å; F91-V108 HydrophobicContact CD1-CG2 4.27Å; F91-V108 HydrophobicContact CE1-CB 4.34Å; F91-V108 HydrophobicContact CE1-CG2 3.64Å; T104-V108 HydrophobicContact CG2-CG2 4.46Å; T104-V108 VanDerWaalsContact O-CG2 3.3Å; T104-V108 WeakPolarHBondContact O-CG2 3.32Å; T104-V108 PolarHBondContact O-N 3.03Å; N105-V108 PolarHBondContact O-N 3.43Å; M106-V108 VanDerWaalsContact C-N 3.35Å; M106-V108 PolarHBondContact O-N 3.28Å; V108-E110 VanDerWaalsContact C-N 3.35Å; V108-E110 PolarHBondContact O-N 3.25Å; V108-V111 PolarHBondContact O-N 2.67Å; V108-I112 HydrophobicContact CG1-CD1 3.53Å; V108-I112 HydrophobicContact CG1-CG1 4.48Å; V108-I112 WeakPolarHBondContact O-CB 3.41Å; V108-I112 WeakPolarHBondContact O-CG1 3.42Å; V108-I112 PolarHBondContact O-N 3.23Å
109N98.8Very high98.7Very high5 Ų514.9 Ų14.93%0.0278%0.077CC..Hα-helixtrans-60-44.6178.7-67.8-27.8000112K55 N105 M106 S113 P132 V136 N137K55-N109 WeakPolarHBondContact CE-OD1 3.44Å; K55-N109 PolarHBondContact NZ-OD1 2.93Å; N105-N109 PolarHBondContact ND2-ND2 2.81Å; N105-N109 PolarHBondContact O-N 3.46Å; N105-N109 PolarHBondContact O-ND2 3.4Å; M106-N109 WeakPolarHBondContact O-CB 3.26Å; M106-N109 PolarHBondContact O-N 2.83Å; M106-N109 VanDerWaalsContact O-N 3.15Å; N109-S113 WeakPolarHBondContact O-CB 3.24Å; N109-S113 PolarHBondContact O-N 3.43Å; N109-P132 HydrophobicContact CB-CB 3.93Å; N109-P132 WeakPolarHBondContact CB-O 3.45Å; N109-V136 HydrophobicContact CB-CB 4.39Å; N109-V136 HydrophobicContact CB-CG1 4.33Å; N109-N137 WeakPolarHBondContact ND2-CB 3.43Å; N109-N137 PolarHBondContact ND2-OD1 3.06Å
110E98.8Very high98.7Very high4 Ų416.4 Ų16.42%0.0198%0.081CC..Hα-helixtrans-64.4-46.5178.6-72.1-177.5142.600111.8Y22 G24 A25 Q26 T27 M106 N107 V108 S113 N114 P132Y22-E110 CarbonylContact O-C 3.22Å; G24-E110 WeakPolarHBondContact CA-OE1 3.24Å; G24-E110 WeakPolarHBondContact CA-OE2 3.24Å; G24-E110 VanDerWaalsContact N-CD 3.29Å; G24-E110 PolarHBondContact N-OE2 2.8Å; A25-E110 PolarHBondContact N-OE1 2.89Å; A25-E110 VanDerWaalsContact N-OE1 3.16Å; Q26-E110 WeakPolarHBondContact CB-OE1 3.28Å; Q26-E110 PolarHBondContact N-OE1 3.37Å; T27-E110 VanDerWaalsContact CB-OE2 3.29Å; T27-E110 WeakPolarHBondContact CB-OE2 3.28Å; T27-E110 PolarHBondContact N-OE2 2.96Å; T27-E110 PolarHBondContact OG1-OE2 3.47Å; M106-E110 WeakPolarHBondContact O-CG 3.46Å; M106-E110 PolarHBondContact O-N 3.24Å; N107-E110 PolarHBondContact O-N 3.12Å; V108-E110 VanDerWaalsContact C-N 3.35Å; V108-E110 PolarHBondContact O-N 3.25Å; E110-S113 PolarHBondContact O-N 2.99Å; E110-N114 WeakPolarHBondContact O-CB 3.49Å; E110-N114 PolarHBondContact O-N 2.73Å; E110-N114 PolarHBondContact O-ND2 2.87Å; E110-P132 HydrophobicContact CG-CB 4.4Å
111V98.9Very high98.7Very high0 Ų019.4 Ų19.40%011%0.114CC..Hα-helixtrans-61.6-48.4179.2169.60000111.1V82 L87 H90 F91 N107 V108 N114 R115V82-V111 HydrophobicContact CG2-CG1 4.35Å; L87-V111 HydrophobicContact CB-CG1 4.38Å; L87-V111 HydrophobicContact CD1-CG1 4.02Å; H90-V111 HydrophobicContact CB-CG1 4.2Å; H90-V111 HydrophobicContact CB-CG2 3.69Å; F91-V111 HydrophobicContact CE1-CB 4.2Å; F91-V111 HydrophobicContact CE1-CG1 4.46Å; F91-V111 HydrophobicContact CE1-CG2 4.06Å; F91-V111 HydrophobicContact CE2-CG1 4.18Å; F91-V111 HydrophobicContact CZ-CB 3.96Å; F91-V111 HydrophobicContact CZ-CG1 3.73Å; F91-V111 HydrophobicContact CZ-CG2 4.1Å; N107-V111 WeakPolarHBondContact O-CB 3.46Å; N107-V111 VanDerWaalsContact O-CG2 3.3Å; N107-V111 WeakPolarHBondContact O-CG2 3.25Å; N107-V111 PolarHBondContact O-N 3.21Å; V108-V111 PolarHBondContact O-N 2.67Å; V111-N114 PolarHBondContact O-N 3.13Å; V111-R115 WeakPolarHBondContact O-CB 3.42Å; V111-R115 PolarHBondContact O-N 3.11Å
112I98.9Very high98.6Very high0 Ų021.1 Ų21.10%013%0.131CC..Hα-helixtrans-65-42.7178.9-69.7166.3000110.8K55 I75 A78 V82 V108 A116 V136K55-I112 HydrophobicContact CB-CD1 3.68Å; K55-I112 HydrophobicContact CG-CD1 3.76Å; I75-I112 HydrophobicContact CB-CG2 4.48Å; I75-I112 HydrophobicContact CG2-CG2 3.85Å; A78-I112 HydrophobicContact CB-CG2 4.09Å; V82-I112 HydrophobicContact CG2-CD1 4.45Å; V82-I112 HydrophobicContact CG2-CG1 3.86Å; V108-I112 HydrophobicContact CG1-CD1 3.53Å; V108-I112 HydrophobicContact CG1-CG1 4.48Å; V108-I112 WeakPolarHBondContact O-CB 3.41Å; V108-I112 WeakPolarHBondContact O-CG1 3.42Å; V108-I112 PolarHBondContact O-N 3.23Å; I112-A116 WeakPolarHBondContact O-CB 3.42Å; I112-A116 PolarHBondContact O-N 3.19Å; I112-V136 HydrophobicContact CB-CG1 3.96Å; I112-V136 HydrophobicContact CD1-CG1 4.25Å; I112-V136 HydrophobicContact CG2-CG1 3.69Å; I112-V136 HydrophobicContact CG2-CG2 4Å
113S98.9Very high98.6Very high2 Ų227.1 Ų27.11%0.01416%0.157CC..Hα-helixtrans-57.9-54.2176.9160.50000110.9N109 E110 R115 A116 I117 V130N109-S113 WeakPolarHBondContact O-CB 3.24Å; N109-S113 PolarHBondContact O-N 3.43Å; E110-S113 PolarHBondContact O-N 2.99Å; S113-R115 PolarHBondContact O-N 3.26Å; S113-A116 PolarHBondContact O-N 3.37Å; S113-I117 VanDerWaalsContact O-CG1 3.24Å; S113-I117 WeakPolarHBondContact O-CG1 3.33Å; S113-I117 PolarHBondContact O-N 3.12Å; S113-V130 PolarHBondContact OG-O 2.8Å
114N98.8Very high98.5Very high4 Ų428.3 Ų28.32%0.02116%0.164CC..Hα-helixtrans-65.5-39.3-177.7-85.1-35.6000112.5Y22 E110 V111 I117 E118 L124 G125Y22-N114 HydrophobicContact CD1-CB 4.15Å; Y22-N114 VanDerWaalsContact O-CB 3.3Å; Y22-N114 WeakPolarHBondContact O-CB 3.38Å; Y22-N114 PolarHBondContact O-ND2 3.29Å; E110-N114 WeakPolarHBondContact O-CB 3.49Å; E110-N114 PolarHBondContact O-N 2.73Å; E110-N114 PolarHBondContact O-ND2 2.87Å; V111-N114 PolarHBondContact O-N 3.13Å; N114-I117 WeakPolarHBondContact O-CB 3.44Å; N114-I117 PolarHBondContact O-N 3.09Å; N114-E118 PolarHBondContact O-N 3.48Å; N114-L124 HydrophobicContact CB-CD2 3.57Å; N114-L124 WeakPolarHBondContact O-CD2 3.35Å; N114-G125 PolarHBondContact OD1-N 3.45Å
115R98.8Very high98.4Very high47 Ų4728.9 Ų28.918%0.17717%0.17CC..Hα-helixtrans-67-39.9174.7-177.158.4-177.8134.88.1112.2Y22 A78 E81 L87 V111 S113 I117 E118 I119Y22-R115 HydrophobicContact CD1-CB 4.3Å; Y22-R115 HydrophobicContact CE1-CB 4.4Å; A78-R115 HydrophobicContact CB-CB 3.92Å; A78-R115 HydrophobicContact CB-CG 3.85Å; E81-R115 IonicContact OE1-CZ 3.31Å; E81-R115 IonicContact OE1-NE 3.77Å; E81-R115 PolarHBondContact OE1-NE 3.26Å; E81-R115 IonicContact OE1-NH2 2.73Å; E81-R115 PolarHBondContact OE1-NH2 3.38Å; E81-R115 IonicContact OE2-CZ 2.64Å; E81-R115 IonicContact OE2-NE 3.21Å; E81-R115 PolarHBondContact OE2-NE 3.45Å; E81-R115 IonicContact OE2-NH2 2.98Å; E81-R115 PolarHBondContact OE2-NH2 3.13Å; L87-R115 HydrophobicContact CD1-CB 4.42Å; L87-R115 HydrophobicContact CD1-CG 4.2Å; V111-R115 WeakPolarHBondContact O-CB 3.42Å; V111-R115 PolarHBondContact O-N 3.11Å; S113-R115 PolarHBondContact O-N 3.26Å; R115-I117 VanDerWaalsContact C-N 3.34Å; R115-E118 IonicContact CZ-OE2 4Å; R115-E118 IonicContact NE-OE2 3.95Å; R115-E118 IonicContact NH1-OE2 3.72Å; R115-E118 PolarHBondContact NH1-OE2 3.3Å; R115-E118 PolarHBondContact O-N 2.99Å; R115-I119 HydrophobicContact CG-CD1 4.21Å; R115-I119 VanDerWaalsContact O-CG1 3.3Å; R115-I119 WeakPolarHBondContact O-CG1 3.46Å; R115-I119 PolarHBondContact O-N 3.16Å
116A98.8Very high98.3Very high0 Ų031 Ų310%019%0.186CC..Hα-helixtrans-66.1-36.7175.400000112.1A74 I75 A78 I112 S113 I119 L120 V130A74-A116 HydrophobicContact CB-CB 3.95Å; I75-A116 HydrophobicContact CG1-CB 4.31Å; A78-A116 HydrophobicContact CB-CB 4.34Å; I112-A116 WeakPolarHBondContact O-CB 3.42Å; I112-A116 PolarHBondContact O-N 3.19Å; S113-A116 PolarHBondContact O-N 3.37Å; A116-I119 PolarHBondContact O-N 3.46Å; A116-L120 WeakPolarHBondContact O-CB 3.29Å; A116-L120 VanDerWaalsContact O-CG 3.26Å; A116-L120 WeakPolarHBondContact O-CG 3.2Å; A116-L120 PolarHBondContact O-N 2.91Å; A116-L120 VanDerWaalsContact O-N 3.1Å; A116-V130 HydrophobicContact CB-CB 4.23Å; A116-V130 HydrophobicContact CB-CG1 4.19Å; A116-V130 HydrophobicContact CB-CG2 3.84Å
117I98.8Very high98.3Very high0 Ų031.7 Ų31.70%019%0.187CC..Hα-helixtrans-59.9-47.4171.8-72.7168.3000110.4S113 N114 R115 I119 L120 G121 G122 Q123 T128 V130S113-I117 VanDerWaalsContact O-CG1 3.24Å; S113-I117 WeakPolarHBondContact O-CG1 3.33Å; S113-I117 PolarHBondContact O-N 3.12Å; N114-I117 WeakPolarHBondContact O-CB 3.44Å; N114-I117 PolarHBondContact O-N 3.09Å; R115-I117 VanDerWaalsContact C-N 3.34Å; I117-I119 PolarHBondContact O-N 2.93Å; I117-L120 CarbonylContact O-C 3.41Å; I117-L120 WeakPolarHBondContact O-CA 3.45Å; I117-L120 PolarHBondContact O-N 2.86Å; I117-L120 VanDerWaalsContact O-N 3.08Å; I117-G121 PolarHBondContact O-N 3.47Å; I117-G121 VanDerWaalsContact O-N 3.13Å; I117-G122 PolarHBondContact O-N 3.19Å; I117-Q123 WeakPolarHBondContact CG2-O 3.39Å; I117-T128 WeakPolarHBondContact CG1-O 3.46Å; I117-V130 HydrophobicContact CG1-CB 4.04Å
118E98.5Very high98.2Very high74 Ų7436 Ų3635%0.34621%0.214SC..Hα-helixtrans-62.9-42.3178.6-173.5-177.4-126.900112.1Y22 N114 R115 L120 G121Y22-E118 VanDerWaalsContact CE1-OE2 3.29Å; Y22-E118 WeakPolarHBondContact CE1-OE2 3.49Å; Y22-E118 VanDerWaalsContact CZ-OE2 3.32Å; Y22-E118 PolarHBondContact OH-OE2 2.81Å; N114-E118 PolarHBondContact O-N 3.48Å; R115-E118 IonicContact CZ-OE2 4Å; R115-E118 IonicContact NE-OE2 3.95Å; R115-E118 IonicContact NH1-OE2 3.72Å; R115-E118 PolarHBondContact NH1-OE2 3.3Å; R115-E118 PolarHBondContact O-N 2.99Å; E118-L120 PolarHBondContact O-N 2.64Å; E118-G121 PolarHBondContact O-N 3.15Å
119I98.6Very high98.2Very high55 Ų5538.5 Ų38.528%0.28223%0.23SC..Hα-helixtrans-57-33173.2-71.1165.6000111.6A74 K77 A78 R115 A116 I117 G121A74-I119 HydrophobicContact CB-CG2 4.32Å; K77-I119 HydrophobicContact CB-CD1 3.89Å; K77-I119 HydrophobicContact CD-CG2 4.38Å; A78-I119 HydrophobicContact CB-CD1 4.42Å; R115-I119 HydrophobicContact CG-CD1 4.21Å; R115-I119 VanDerWaalsContact O-CG1 3.3Å; R115-I119 WeakPolarHBondContact O-CG1 3.46Å; R115-I119 PolarHBondContact O-N 3.16Å; A116-I119 PolarHBondContact O-N 3.46Å; I117-I119 PolarHBondContact O-N 2.93Å; I119-G121 VanDerWaalsContact C-N 3.33Å
120L98.5Very high98.2Very high50 Ų5038.2 Ų38.226%0.26223%0.229SC..THydrogen-bonded Turntrans-88.83.5178.7-66.2172.1000113.4K70 L71 A74 A116 I117 E118 G122 P129 V130K70-L120 HydrophobicContact CD-CD2 4.46Å; K70-L120 HydrophobicContact CG-CD2 4.07Å; L71-L120 HydrophobicContact CD2-CD1 3.83Å; A74-L120 HydrophobicContact CB-CD1 3.73Å; A74-L120 HydrophobicContact CB-CD2 4.05Å; A74-L120 HydrophobicContact CB-CG 3.74Å; A116-L120 WeakPolarHBondContact O-CB 3.29Å; A116-L120 VanDerWaalsContact O-CG 3.26Å; A116-L120 WeakPolarHBondContact O-CG 3.2Å; A116-L120 PolarHBondContact O-N 2.91Å; A116-L120 VanDerWaalsContact O-N 3.1Å; I117-L120 CarbonylContact O-C 3.41Å; I117-L120 WeakPolarHBondContact O-CA 3.45Å; I117-L120 PolarHBondContact O-N 2.86Å; I117-L120 VanDerWaalsContact O-N 3.08Å; E118-L120 PolarHBondContact O-N 2.64Å; L120-G122 VanDerWaalsContact C-N 3.33Å; L120-P129 HydrophobicContact CB-CG 4.34Å; L120-P129 HydrophobicContact CD1-CG 3.56Å; L120-V130 HydrophobicContact CD1-CG2 3.91Å
121G98.1Very high98.2Very high71 Ų7140.6 Ų40.673%0.73224%0.239SC*.THydrogen-bonded Turntrans73.520.2-179.600000114.5I117 E118 I119I117-G121 PolarHBondContact O-N 3.47Å; I117-G121 VanDerWaalsContact O-N 3.13Å; E118-G121 PolarHBondContact O-N 3.15Å; I119-G121 VanDerWaalsContact C-N 3.33Å
122G97.2Very high98.1Very high36 Ų3641 Ų4137%0.37124%0.242SC..  trans-89.1-176.4177.800000113.8I117 L120I117-G122 PolarHBondContact O-N 3.19Å; L120-G122 VanDerWaalsContact C-N 3.33Å
123Q97.1Very high98Very high154 Ų15445.4 Ų45.472%0.7227%0.266SS*.  trans-97.8124.1-178.3-174.3179.79.600111.8I117 S126I117-Q123 WeakPolarHBondContact CG2-O 3.39Å; Q123-S126 WeakPolarHBondContact O-CB 3.34Å; Q123-S126 PolarHBondContact O-N 3.22Å; Q123-S126 PolarHBondContact O-OG 3.34Å
124L97.1Very high98Very high46 Ų4649.6 Ų49.624%0.24129%0.288CS..THydrogen-bonded Turntrans-52138.3174-68.9160.3000111.9Y22 N114 S126Y22-L124 HydrophobicContact CD1-CD2 3.63Å; Y22-L124 HydrophobicContact CE1-CD2 3.91Å; N114-L124 HydrophobicContact CB-CD2 3.57Å; N114-L124 WeakPolarHBondContact O-CD2 3.35Å; L124-S126 PolarHBondContact O-N 3.33Å
125G96.4Very high97.9Very high14 Ų1452 Ų5214%0.14430%0.299CS..THydrogen-bonded Turntrans80.6-12.3-18000000115.2E8 N114 K127E8-G125 VanDerWaalsContact CD-CA 3.41Å; E8-G125 VanDerWaalsContact OE1-CA 3.3Å; E8-G125 WeakPolarHBondContact OE1-CA 3.25Å; N114-G125 PolarHBondContact OD1-N 3.45Å; G125-K127 PolarHBondContact O-N 3.04Å
126S96.8Very high97.9Very high48 Ų4849.9 Ų49.934%0.33629%0.291SS..SBendtrans-70.4-16.3179.969.50000114.1Q123 L124 T128Q123-S126 WeakPolarHBondContact O-CB 3.34Å; Q123-S126 PolarHBondContact O-N 3.22Å; Q123-S126 PolarHBondContact O-OG 3.34Å; L124-S126 PolarHBondContact O-N 3.33Å; S126-T128 PolarHBondContact O-N 3.45Å; S126-T128 VanDerWaalsContact O-N 3.08Å; S126-T128 PolarHBondContact O-OG1 3.45Å; S126-T128 PolarHBondContact OG-N 2.85Å; S126-T128 PolarHBondContact OG-O 3.43Å; S126-T128 VanDerWaalsContact OG-O 3.05Å
127K98Very high97.9Very high54 Ų5450.6 Ų50.624%0.23530%0.295CS..  trans57.317.5-172.4-53175.7177.361.60113.3E8 G125 V130 H131 P132E8-K127 IonicContact OE2-NZ 3.48Å; G125-K127 PolarHBondContact O-N 3.04Å; K127-V130 CarbonylContact C-O 3.48Å; K127-V130 CarbonylContact O-C 3.28Å; K127-V130 VanDerWaalsContact O-C 3.28Å; K127-H131 WeakPolarHBondContact O-CA 3.16Å; K127-H131 PolarHBondContact O-N 3.43Å; K127-P132 HydrophobicContact CD-CG 4.34Å; K127-P132 HydrophobicContact CG-CG 4.34Å
128T97.9Very high97.9Very high93 Ų9352.9 Ų52.957%0.57131%0.307SS*.  trans-130132-177.1-57.20000109.8I117 S126I117-T128 WeakPolarHBondContact CG1-O 3.46Å; S126-T128 PolarHBondContact O-N 3.45Å; S126-T128 VanDerWaalsContact O-N 3.08Å; S126-T128 PolarHBondContact O-OG1 3.45Å; S126-T128 PolarHBondContact OG-N 2.85Å; S126-T128 PolarHBondContact OG-O 3.43Å; S126-T128 VanDerWaalsContact OG-O 3.05Å
129P98.1Very high97.8Very high51 Ų5150.2 Ų50.233%0.33130%0.297SS..SBendcis-85.1-1.1236.7-38.1000113.9L71 L120 H135L71-P129 WeakPolarHBondContact CD1-O 3.45Å; L71-P129 HydrophobicContact CD2-CB 3.78Å; L71-P129 HydrophobicContact CD2-CG 3.84Å; L120-P129 HydrophobicContact CB-CG 4.34Å; L120-P129 HydrophobicContact CD1-CG 3.56Å; P129-H135 PolarHBondContact O-CE1 2.77Å; P129-H135 PolarHBondContact O-ND1 3.1Å; P129-H135 VanDerWaalsContact O-ND1 3.14Å
130V98.7Very high97.8Very high0 Ų048.5 Ų48.50%029%0.288CS..SBendtrans-106.9107.1-178.4-1750000110.9L71 I75 S113 A116 I117 L120 K127 H135 V136L71-V130 HydrophobicContact CD2-CG2 4Å; I75-V130 HydrophobicContact CD1-CG1 3.91Å; I75-V130 HydrophobicContact CG1-CG1 3.79Å; S113-V130 PolarHBondContact OG-O 2.8Å; A116-V130 HydrophobicContact CB-CB 4.23Å; A116-V130 HydrophobicContact CB-CG1 4.19Å; A116-V130 HydrophobicContact CB-CG2 3.84Å; I117-V130 HydrophobicContact CG1-CB 4.04Å; L120-V130 HydrophobicContact CD1-CG2 3.91Å; K127-V130 CarbonylContact C-O 3.48Å; K127-V130 CarbonylContact O-C 3.28Å; K127-V130 VanDerWaalsContact O-C 3.28Å; V130-H135 HydrophobicContact CG1-CB 4.23Å; V130-V136 HydrophobicContact CG1-CG2 3.76Å
131H98.4Very high97.8Very high53 Ų5347 Ų4725%0.24528%0.281CS..  trans-85.3133.7177.4-165.9-87.6000111.3K127 N133 D134 H135 V136K127-H131 WeakPolarHBondContact O-CA 3.16Å; K127-H131 PolarHBondContact O-N 3.43Å; H131-N133 VanDerWaalsContact C-N 3.35Å; H131-N133 PolarHBondContact ND1-N 2.98Å; H131-N133 PolarHBondContact O-N 2.9Å; H131-D134 HydrophobicContact CB-CB 4.11Å; H131-D134 IonicContact CE1-OD1 3.22Å; H131-D134 IonicContact CE1-OD2 2.73Å; H131-D134 IonicContact CG-OD2 3.78Å; H131-D134 PolarHBondContact ND1-N 3.45Å; H131-D134 IonicContact ND1-OD1 2.59Å; H131-D134 PolarHBondContact ND1-OD1 2.89Å; H131-D134 IonicContact ND1-OD2 3.28Å; H131-H135 PolarHBondContact N-ND1 3.48Å; H131-H135 WeakPolarHBondContact O-CB 3.47Å; H131-H135 PolarHBondContact O-N 3.06Å; H131-H135 VanDerWaalsContact O-N 3.08Å; H131-V136 PolarHBondContact O-N 2.93Å
132P98.3Very high97.2Very high8 Ų845 Ų455%0.05226%0.257CS..Iπ-helixtrans-64.1-36.7-176.223.8-33000112.9N109 E110 K127 V136 N137N109-P132 HydrophobicContact CB-CB 3.93Å; N109-P132 WeakPolarHBondContact CB-O 3.45Å; E110-P132 HydrophobicContact CG-CB 4.4Å; K127-P132 HydrophobicContact CD-CG 4.34Å; K127-P132 HydrophobicContact CG-CG 4.34Å; P132-V136 WeakPolarHBondContact O-CB 3.5Å; P132-N137 WeakPolarHBondContact O-CB 3.38Å; P132-N137 PolarHBondContact O-N 3.5Å
133N97.2Very high97.2Very high93 Ų9344.8 Ų44.850%0.49725%0.246SC..Iπ-helixtrans-81.6-65.6176.2-175.574.9000111.4H131 H135 N137 M138H131-N133 VanDerWaalsContact C-N 3.35Å; H131-N133 PolarHBondContact ND1-N 2.98Å; H131-N133 PolarHBondContact O-N 2.9Å; N133-H135 VanDerWaalsContact C-N 3.28Å; N133-H135 PolarHBondContact O-N 3.24Å; N133-N137 CarbonylContact O-C 3.56Å; N133-N137 VanDerWaalsContact O-CA 3.29Å; N133-N137 WeakPolarHBondContact O-CA 3.29Å; N133-N137 VanDerWaalsContact O-CB 3.25Å; N133-N137 WeakPolarHBondContact O-CB 3.38Å; N133-N137 PolarHBondContact O-N 3.5Å; N133-N137 VanDerWaalsContact O-N 3.1Å; N133-M138 PolarHBondContact O-N 3.38Å
134D97.1Very high97.3Very high91 Ų9137.4 Ų37.449%0.48721%0.212SC..Iπ-helixtrans-64.4-24.9-169.7-49.4-3.4000114.9H131 M138H131-D134 HydrophobicContact CB-CB 4.11Å; H131-D134 IonicContact CE1-OD1 3.22Å; H131-D134 IonicContact CE1-OD2 2.73Å; H131-D134 IonicContact CG-OD2 3.78Å; H131-D134 PolarHBondContact ND1-N 3.45Å; H131-D134 IonicContact ND1-OD1 2.59Å; H131-D134 PolarHBondContact ND1-OD1 2.89Å; H131-D134 IonicContact ND1-OD2 3.28Å; D134-M138 WeakPolarHBondContact O-CB 2.98Å
135H98.3Very high97.4Very high53 Ų5335.2 Ų35.225%0.24520%0.201CC..Iπ-helixtrans-111-54.6177.9-55153.2000112.5L67 I75 P129 V130 H131 N133 M138L67-H135 HydrophobicContact CD1-CB 4.03Å; I75-H135 HydrophobicContact CD1-CB 4.1Å; P129-H135 PolarHBondContact O-CE1 2.77Å; P129-H135 PolarHBondContact O-ND1 3.1Å; P129-H135 VanDerWaalsContact O-ND1 3.14Å; V130-H135 HydrophobicContact CG1-CB 4.23Å; H131-H135 PolarHBondContact N-ND1 3.48Å; H131-H135 WeakPolarHBondContact O-CB 3.47Å; H131-H135 PolarHBondContact O-N 3.06Å; H131-H135 VanDerWaalsContact O-N 3.08Å; N133-H135 VanDerWaalsContact C-N 3.28Å; N133-H135 PolarHBondContact O-N 3.24Å; H135-M138 WeakPolarHBondContact O-CB 3.48Å; H135-M138 PolarHBondContact O-N 2.99Å
136V98.6Very high97.5Very high4 Ų434.6 Ų34.62%0.02419%0.194CC..Iπ-helixtrans-74.5-35.5-174.9-171.50000112K55 I75 N109 I112 V130 H131 P132 Q140K55-V136 HydrophobicContact CD-CG1 4.14Å; I75-V136 HydrophobicContact CD1-CG2 4.25Å; I75-V136 HydrophobicContact CG1-CG2 4.3Å; N109-V136 HydrophobicContact CB-CB 4.39Å; N109-V136 HydrophobicContact CB-CG1 4.33Å; I112-V136 HydrophobicContact CB-CG1 3.96Å; I112-V136 HydrophobicContact CD1-CG1 4.25Å; I112-V136 HydrophobicContact CG2-CG1 3.69Å; I112-V136 HydrophobicContact CG2-CG2 4Å; V130-V136 HydrophobicContact CG1-CG2 3.76Å; H131-V136 PolarHBondContact O-N 2.93Å; P132-V136 WeakPolarHBondContact O-CB 3.5Å; V136-Q140 PolarHBondContact O-NE2 3.25Å
137N98.5Very high97.6Very high14 Ų1432.4 Ų32.48%0.07518%0.179CC..THydrogen-bonded Turntrans-96.413.8175.5-150.472.3000113.2K55 N105 N109 P132 N133 A139 Q140K55-N137 PolarHBondContact NZ-OD1 3.45Å; N105-N137 PolarHBondContact ND2-OD1 2.9Å; N105-N137 PolarHBondContact OD1-OD1 2.96Å; N109-N137 WeakPolarHBondContact ND2-CB 3.43Å; N109-N137 PolarHBondContact ND2-OD1 3.06Å; P132-N137 WeakPolarHBondContact O-CB 3.38Å; P132-N137 PolarHBondContact O-N 3.5Å; N133-N137 CarbonylContact O-C 3.56Å; N133-N137 VanDerWaalsContact O-CA 3.29Å; N133-N137 WeakPolarHBondContact O-CA 3.29Å; N133-N137 VanDerWaalsContact O-CB 3.25Å; N133-N137 WeakPolarHBondContact O-CB 3.38Å; N133-N137 PolarHBondContact O-N 3.5Å; N133-N137 VanDerWaalsContact O-N 3.1Å; N137-A139 PolarHBondContact O-N 2.86Å; N137-Q140 PolarHBondContact ND2-O 2.95Å; N137-Q140 WeakPolarHBondContact O-CB 3.44Å; N137-Q140 PolarHBondContact O-N 3.16Å; N137-Q140 VanDerWaalsContact O-N 3.14Å
138M98Very high97.6Very high49 Ų4929.8 Ų29.824%0.24117%0.167CC..THydrogen-bonded Turntrans-55.7133.5-179.7-173.6179.1-177.400111N62 L67 N133 D134 H135 Q140N62-M138 HydrophobicContact CB-SD 3.97Å; N62-M138 PolarHBondContact ND2-O 2.95Å; L67-M138 HydrophobicContact CB-SD 3.9Å; L67-M138 HydrophobicContact CD1-SD 4.32Å; N133-M138 PolarHBondContact O-N 3.38Å; D134-M138 WeakPolarHBondContact O-CB 2.98Å; H135-M138 WeakPolarHBondContact O-CB 3.48Å; H135-M138 PolarHBondContact O-N 2.99Å; M138-Q140 WeakPolarHBondContact O-CG 3.32Å; M138-Q140 PolarHBondContact O-N 3.23Å; M138-Q140 PolarHBondContact O-NE2 3.31Å
139A97.5Very high97.7Very high17 Ų1725.4 Ų25.414%0.1414%0.14CC..THydrogen-bonded Turntrans62.612.3-179.300000115.9N62 N137 T240 Y241 F244N62-A139 WeakPolarHBondContact OD1-CB 3.46Å; N137-A139 PolarHBondContact O-N 2.86Å; A139-T240 WeakPolarHBondContact O-CB 3.45Å; A139-T240 PolarHBondContact O-OG1 3.45Å; A139-Y241 HydrophobicContact CB-CD1 4.06Å; A139-Y241 HydrophobicContact CB-CE1 3.69Å; A139-F244 HydrophobicContact CB-CD1 4.4Å; A139-F244 HydrophobicContact CB-CD2 3.92Å; A139-F244 HydrophobicContact CB-CE1 4.34Å; A139-F244 HydrophobicContact CB-CE2 3.85Å; A139-F244 HydrophobicContact CB-CG 4.2Å; A139-F244 HydrophobicContact CB-CZ 4.08Å; A139-F244 VanDerWaalsContact O-CE1 3.24Å; A139-F244 WeakPolarHBondContact O-CE1 3.34Å
140Q98.6Very high97.7Very high19 Ų1923 Ų239%0.08912%0.124CC..  trans-119161-176.1-62.9159.469.100111.7L54 A58 V136 N137 M138 T145 L229 F244L54-Q140 VanDerWaalsContact CD2-OE1 3.32Å; A58-Q140 HydrophobicContact CB-CG 4.44Å; V136-Q140 PolarHBondContact O-NE2 3.25Å; N137-Q140 PolarHBondContact ND2-O 2.95Å; N137-Q140 WeakPolarHBondContact O-CB 3.44Å; N137-Q140 PolarHBondContact O-N 3.16Å; N137-Q140 VanDerWaalsContact O-N 3.14Å; M138-Q140 WeakPolarHBondContact O-CG 3.32Å; M138-Q140 PolarHBondContact O-N 3.23Å; M138-Q140 PolarHBondContact O-NE2 3.31Å; Q140-T145 HydrophobicContact CB-CG2 3.69Å; Q140-T145 HydrophobicContact CG-CG2 4.09Å; Q140-L229 HydrophobicContact CG-CD1 4.14Å; Q140-F244 HydrophobicContact CG-CE1 4.19Å; Q140-F244 HydrophobicContact CG-CZ 3.79Å
141S97.4Very high97.7Very high19 Ų1923.7 Ų23.713%0.13313%0.128CC..  trans-117.7158.5170.8171.70000110.3N143 D144 T145 T232S141-N143 PolarHBondContact O-N 3.46Å; S141-N143 PolarHBondContact OG-N 3.36Å; S141-D144 WeakPolarHBondContact CA-OD1 3.11Å; S141-D144 WeakPolarHBondContact CB-OD1 3.43Å; S141-D144 PolarHBondContact N-OD1 3.03Å; S141-T145 WeakPolarHBondContact O-CB 3.06Å; S141-T145 WeakPolarHBondContact O-CG2 3.42Å; S141-T145 PolarHBondContact O-N 3.33Å; S141-T145 PolarHBondContact O-OG1 3.27Å; S141-T232 VanDerWaalsContact CB-CA 3.45Å; S141-T232 VanDerWaalsContact CB-O 3.23Å; S141-T232 WeakPolarHBondContact CB-O 3.31Å; S141-T232 PolarHBondContact OG-O 3.46Å; S141-T232 VanDerWaalsContact OG-O 3.06Å
142S85.9Confident97.8Very high30 Ų3021.2 Ų21.221%0.2112%0.116CC..Hα-helixtrans-62.7-27.4167.557.20000112.5T102 T145T102-S142 VanDerWaalsContact CG2-CB 3.46Å; T102-S142 WeakPolarHBondContact OG1-CB 3.46Å; T102-S142 PolarHBondContact OG1-OG 2.83Å; S142-T145 PolarHBondContact O-OG1 3.1Å
143N97.8Very high97.8Very high30 Ų3020.9 Ų20.916%0.1611%0.114CC..Hα-helixtrans-81.7-25.1-172.5-64.8-3.6000113S141 P147 A233 L270 L360S141-N143 PolarHBondContact O-N 3.46Å; S141-N143 PolarHBondContact OG-N 3.36Å; N143-P147 WeakPolarHBondContact O-CD 3.15Å; N143-P147 WeakPolarHBondContact O-CG 3.38Å; N143-A233 PolarHBondContact ND2-O 2.82Å; N143-L270 WeakPolarHBondContact O-CD2 3.24Å; N143-L360 HydrophobicContact CB-CD1 3.9Å; N143-L360 HydrophobicContact CB-CD2 4.34Å
144D98.6Very high97.9Very high0 Ų016.5 Ų16.50%09%0.091CC..Hα-helixtrans-104.4-13.3-179.971-10.7000114.1S141 T148 G230 G231 T232 L270S141-D144 WeakPolarHBondContact CA-OD1 3.11Å; S141-D144 WeakPolarHBondContact CB-OD1 3.43Å; S141-D144 PolarHBondContact N-OD1 3.03Å; D144-T148 WeakPolarHBondContact O-CB 3.48Å; D144-T148 PolarHBondContact O-OG1 2.87Å; D144-G230 WeakPolarHBondContact OD2-CA 3.39Å; D144-G230 PolarHBondContact OD2-N 3.29Å; D144-G231 PolarHBondContact OD2-N 3.48Å; D144-T232 WeakPolarHBondContact OD2-CA 3.21Å; D144-T232 PolarHBondContact OD2-N 2.92Å; D144-L270 HydrophobicContact CB-CD2 4.06Å
145T98.8Very high97.9Very high0 Ų012.1 Ų12.10%07%0.068CC..Hα-helixtrans-79.3-50.3178.248.50000112.9L54 N105 Q140 S141 S142 T148 A149 L229L54-T145 HydrophobicContact CD1-CG2 4.48Å; L54-T145 VanDerWaalsContact CD1-O 3.27Å; L54-T145 WeakPolarHBondContact CD1-O 3.21Å; L54-T145 HydrophobicContact CD2-CG2 4.17Å; N105-T145 VanDerWaalsContact CG-OG1 3.23Å; N105-T145 PolarHBondContact OD1-OG1 3.45Å; Q140-T145 HydrophobicContact CB-CG2 3.69Å; Q140-T145 HydrophobicContact CG-CG2 4.09Å; S141-T145 WeakPolarHBondContact O-CB 3.06Å; S141-T145 WeakPolarHBondContact O-CG2 3.42Å; S141-T145 PolarHBondContact O-N 3.33Å; S141-T145 PolarHBondContact O-OG1 3.27Å; S142-T145 PolarHBondContact O-OG1 3.1Å; T145-T148 WeakPolarHBondContact O-CB 3.29Å; T145-T148 PolarHBondContact O-N 2.95Å; T145-A149 PolarHBondContact O-N 3.31Å; T145-L229 HydrophobicContact CG2-CD1 4.24Å
146F98.8Very high98Very high0 Ų010.9 Ų10.90%06%0.062CC..Hα-helixtrans-59.3-49.2178.1-162.4-85.5000113.9M43 V47 F51 S100 G101 T104 T148 A149 M150 K364 P365 V368M43-F146 HydrophobicContact CE-CE2 3.9Å; M43-F146 HydrophobicContact CE-CZ 3.87Å; M43-F146 HydrophobicContact SD-CE2 4.17Å; M43-F146 HydrophobicContact SD-CZ 3.92Å; V47-F146 HydrophobicContact CG1-CE2 4.14Å; V47-F146 HydrophobicContact CG1-CZ 4.25Å; F51-F146 AromaticContact CE2-CD2 3.65Å; F51-F146 HydrophobicContact CE2-CD2 3.65Å; F51-F146 HydrophobicContact CE2-CE2 4.18Å; F51-F146 HydrophobicContact CE2-CG 4.41Å; F51-F146 HydrophobicContact CZ-CB 4.12Å; F51-F146 AromaticContact CZ-CD2 3.81Å; F51-F146 HydrophobicContact CZ-CD2 3.81Å; F51-F146 HydrophobicContact CZ-CG 4.35Å; S100-F146 VanDerWaalsContact O-CB 3.27Å; S100-F146 WeakPolarHBondContact O-CB 3.48Å; G101-F146 VanDerWaalsContact CA-CD2 3.48Å; G101-F146 WeakPolarHBondContact O-CD2 3.41Å; T104-F146 HydrophobicContact CG2-CD2 4.41Å; T104-F146 HydrophobicContact CG2-CE2 4.09Å; F146-T148 PolarHBondContact O-N 3.22Å; F146-A149 PolarHBondContact O-N 2.91Å; F146-A149 VanDerWaalsContact O-N 3.07Å; F146-M150 HydrophobicContact CD1-CG 3.72Å; F146-M150 HydrophobicContact CD1-SD 3.59Å; F146-M150 VanDerWaalsContact CD1-SD 3.59Å; F146-M150 HydrophobicContact CE1-CG 3.6Å; F146-M150 HydrophobicContact CE1-SD 3.68Å; F146-M150 WeakPolarHBondContact O-CG 3.43Å; F146-M150 PolarHBondContact O-N 3.4Å; F146-K364 HydrophobicContact CD1-CB 3.71Å; F146-K364 HydrophobicContact CD1-CD 4.36Å; F146-K364 HydrophobicContact CE1-CB 3.83Å; F146-P365 HydrophobicContact CE1-CG 4.19Å; F146-P365 HydrophobicContact CZ-CB 4.27Å; F146-P365 HydrophobicContact CZ-CG 3.97Å; F146-V368 HydrophobicContact CE1-CG1 4.12Å; F146-V368 HydrophobicContact CZ-CG1 4.23Å
147P98.8Very high98Very high2 Ų212.4 Ų12.41%0.0137%0.069CC..Hα-helixtrans-60.1-34.7176.326.3-37.7000112.8N143 M150 H151 A228 L270 K364N143-P147 WeakPolarHBondContact O-CD 3.15Å; N143-P147 WeakPolarHBondContact O-CG 3.38Å; P147-M150 WeakPolarHBondContact O-CB 3.24Å; P147-M150 PolarHBondContact O-N 3.16Å; P147-H151 PolarHBondContact O-CD2 3.25Å; P147-H151 PolarHBondContact O-N 3Å; P147-H151 VanDerWaalsContact O-N 3.11Å; P147-A228 HydrophobicContact CB-CB 4.02Å; P147-A228 HydrophobicContact CG-CB 3.72Å; P147-L270 HydrophobicContact CG-CD2 4.04Å; P147-K364 HydrophobicContact CB-CD 4.39Å
148T98.9Very high98Very high0 Ų011.8 Ų11.80%07%0.066CC..Hα-helixtrans-63.6-44.9173.4-60.70000111.3L54 D144 T145 F146 M150 H151 I152 L227 L229 I252L54-T148 HydrophobicContact CD1-CG2 3.49Å; L54-T148 VanDerWaalsContact CD1-CG2 3.49Å; L54-T148 HydrophobicContact CG-CG2 4.18Å; D144-T148 WeakPolarHBondContact O-CB 3.48Å; D144-T148 PolarHBondContact O-OG1 2.87Å; T145-T148 WeakPolarHBondContact O-CB 3.29Å; T145-T148 PolarHBondContact O-N 2.95Å; F146-T148 PolarHBondContact O-N 3.22Å; T148-M150 VanDerWaalsContact C-N 3.32Å; T148-M150 PolarHBondContact O-N 3.49Å; T148-H151 PolarHBondContact O-N 2.89Å; T148-I152 HydrophobicContact CG2-CD1 3.84Å; T148-I152 VanDerWaalsContact O-CG1 3.29Å; T148-I152 WeakPolarHBondContact O-CG1 3.45Å; T148-I152 PolarHBondContact O-N 3.23Å; T148-L227 HydrophobicContact CG2-CB 4.18Å; T148-L227 HydrophobicContact CG2-CD1 4.06Å; T148-L227 HydrophobicContact CG2-CD2 4.07Å; T148-L227 HydrophobicContact CG2-CG 4.32Å; T148-L229 HydrophobicContact CG2-CB 4.06Å; T148-L229 WeakPolarHBondContact OG1-CB 3.44Å; T148-L229 PolarHBondContact OG1-N 3.07Å; T148-I252 HydrophobicContact CG2-CD1 4.33Å
149A98.9Very high98Very high0 Ų012.8 Ų12.80%07%0.072CC..Hα-helixtrans-64.4-34.5175.600000112.7V47 A50 F51 T145 F146 S153V47-A149 HydrophobicContact CG1-CB 4.35Å; A50-A149 HydrophobicContact CB-CB 4.28Å; A50-A149 WeakPolarHBondContact CB-O 3.23Å; F51-A149 HydrophobicContact CD1-CB 4.32Å; F51-A149 HydrophobicContact CD2-CB 3.52Å; F51-A149 HydrophobicContact CE1-CB 4.39Å; F51-A149 HydrophobicContact CE2-CB 3.58Å; F51-A149 HydrophobicContact CG-CB 3.9Å; F51-A149 HydrophobicContact CZ-CB 4.04Å; T145-A149 PolarHBondContact O-N 3.31Å; F146-A149 PolarHBondContact O-N 2.91Å; F146-A149 VanDerWaalsContact O-N 3.07Å; A149-S153 VanDerWaalsContact O-CB 3.31Å; A149-S153 WeakPolarHBondContact O-CB 3.3Å; A149-S153 PolarHBondContact O-N 3.28Å; A149-S153 PolarHBondContact O-OG 3.16Å
150M98.8Very high98.1Very high0 Ų017.8 Ų17.80%09%0.093CC..Hα-helixtrans-60.4-48.1173.8-64.4166.458.700111.6F146 P147 T148 S153 T154 M276 K364 M367 V368F146-M150 HydrophobicContact CD1-CG 3.72Å; F146-M150 HydrophobicContact CD1-SD 3.59Å; F146-M150 VanDerWaalsContact CD1-SD 3.59Å; F146-M150 HydrophobicContact CE1-CG 3.6Å; F146-M150 HydrophobicContact CE1-SD 3.68Å; F146-M150 WeakPolarHBondContact O-CG 3.43Å; F146-M150 PolarHBondContact O-N 3.4Å; P147-M150 WeakPolarHBondContact O-CB 3.24Å; P147-M150 PolarHBondContact O-N 3.16Å; T148-M150 VanDerWaalsContact C-N 3.32Å; T148-M150 PolarHBondContact O-N 3.49Å; M150-S153 PolarHBondContact O-OG 3.42Å; M150-T154 VanDerWaalsContact O-CB 3.27Å; M150-T154 WeakPolarHBondContact O-CB 3.41Å; M150-T154 PolarHBondContact O-N 3.15Å; M150-T154 PolarHBondContact O-OG1 3.01Å; M150-M276 HydrophobicContact CE-CE 4.44Å; M150-M276 HydrophobicContact CE-CG 3.96Å; M150-M276 HydrophobicContact CE-SD 4.47Å; M150-K364 HydrophobicContact CE-CB 4.33Å; M150-K364 HydrophobicContact SD-CB 3.61Å; M150-K364 HydrophobicContact SD-CD 4.43Å; M150-K364 HydrophobicContact SD-CG 4.42Å; M150-M367 HydrophobicContact CE-CB 4.47Å; M150-V368 HydrophobicContact CB-CB 4.15Å; M150-V368 HydrophobicContact CB-CG2 3.86Å; M150-V368 HydrophobicContact CE-CB 3.96Å; M150-V368 HydrophobicContact CG-CB 3.7Å; M150-V368 HydrophobicContact CG-CG1 3.93Å; M150-V368 HydrophobicContact CG-CG2 3.85Å; M150-V368 HydrophobicContact SD-CB 4.42Å
151H98.9Very high98.1Very high16 Ų1618.1 Ų18.17%0.07410%0.096CC..Hα-helixtrans-66.8-44.1-179-80-145.3000111.6P147 T148 T154 A155 L224 E226 L227P147-H151 PolarHBondContact O-CD2 3.25Å; P147-H151 PolarHBondContact O-N 3Å; P147-H151 VanDerWaalsContact O-N 3.11Å; T148-H151 PolarHBondContact O-N 2.89Å; H151-T154 PolarHBondContact O-N 3.11Å; H151-A155 WeakPolarHBondContact O-CB 3.47Å; H151-A155 PolarHBondContact O-N 2.83Å; H151-L224 HydrophobicContact CB-CD1 4.25Å; H151-L224 WeakPolarHBondContact CB-O 3.36Å; H151-L224 PolarHBondContact ND1-O 2.94Å; H151-E226 PolarHBondContact CE1-O 3.18Å; H151-E226 PolarHBondContact ND1-O 3.28Å; H151-L227 HydrophobicContact CB-CD2 3.8Å
152I98.9Very high98.2Very high0 Ų017.2 Ų17.20%09%0.09CC..Hα-helixtrans-59.7-52.3177-66.8166.2000111A50 I53 L54 T148 T154 A155 I156 L227 I252 F260A50-I152 HydrophobicContact CB-CB 3.86Å; A50-I152 HydrophobicContact CB-CG2 3.64Å; I53-I152 HydrophobicContact CD1-CG2 4.1Å; L54-I152 HydrophobicContact CB-CD1 4.3Å; T148-I152 HydrophobicContact CG2-CD1 3.84Å; T148-I152 VanDerWaalsContact O-CG1 3.29Å; T148-I152 WeakPolarHBondContact O-CG1 3.45Å; T148-I152 PolarHBondContact O-N 3.23Å; I152-T154 VanDerWaalsContact C-N 3.34Å; I152-T154 PolarHBondContact O-N 3.46Å; I152-A155 PolarHBondContact O-N 3.11Å; I152-I156 HydrophobicContact CG2-CD1 3.68Å; I152-I156 HydrophobicContact CG2-CG1 4.48Å; I152-I156 WeakPolarHBondContact O-CB 3.47Å; I152-I156 VanDerWaalsContact O-CG1 3.3Å; I152-I156 WeakPolarHBondContact O-CG1 3.42Å; I152-I156 PolarHBondContact O-N 3.2Å; I152-L227 HydrophobicContact CG1-CD2 4.15Å; I152-I252 HydrophobicContact CD1-CD1 4.07Å; I152-I252 HydrophobicContact CD1-CG1 4.42Å; I152-I252 HydrophobicContact CD1-CG2 3.75Å; I152-I252 HydrophobicContact CG1-CG2 3.96Å; I152-F260 HydrophobicContact CB-CZ 4.3Å; I152-F260 HydrophobicContact CG1-CE1 4.17Å; I152-F260 HydrophobicContact CG1-CZ 4.09Å
153S98.9Very high98.8Very high2 Ų216.1 Ų16.11%0.0148%0.082CC..Hα-helixtrans-61-43.4-178.454.40000112.2P46 A149 M150 I156 E157P46-S153 VanDerWaalsContact C-CB 3.47Å; P46-S153 WeakPolarHBondContact O-CB 3.46Å; A149-S153 VanDerWaalsContact O-CB 3.31Å; A149-S153 WeakPolarHBondContact O-CB 3.3Å; A149-S153 PolarHBondContact O-N 3.28Å; A149-S153 PolarHBondContact O-OG 3.16Å; M150-S153 PolarHBondContact O-OG 3.42Å; S153-I156 PolarHBondContact O-N 3.42Å; S153-E157 WeakPolarHBondContact O-CB 3.16Å; S153-E157 WeakPolarHBondContact O-CG 3.28Å; S153-E157 PolarHBondContact O-N 3.38Å
154T98.9Very high98.8Very high0 Ų017.6 Ų17.60%09%0.093CC..Hα-helixtrans-65.4-45.1179.8-56.40000111.5M150 H151 I152 E157 I158 L224 M276 V279 V371 I375M150-T154 VanDerWaalsContact O-CB 3.27Å; M150-T154 WeakPolarHBondContact O-CB 3.41Å; M150-T154 PolarHBondContact O-N 3.15Å; M150-T154 PolarHBondContact O-OG1 3.01Å; H151-T154 PolarHBondContact O-N 3.11Å; I152-T154 VanDerWaalsContact C-N 3.34Å; I152-T154 PolarHBondContact O-N 3.46Å; T154-E157 PolarHBondContact O-N 3.24Å; T154-I158 HydrophobicContact CG2-CD1 3.99Å; T154-I158 VanDerWaalsContact O-CG1 3.29Å; T154-I158 WeakPolarHBondContact O-CG1 3.4Å; T154-I158 PolarHBondContact O-N 3.02Å; T154-L224 HydrophobicContact CG2-CD1 4.06Å; T154-L224 HydrophobicContact CG2-CD2 3.74Å; T154-M276 HydrophobicContact CG2-CE 4.25Å; T154-M276 WeakPolarHBondContact OG1-CE 3.33Å; T154-V279 HydrophobicContact CG2-CG1 4.1Å; T154-V371 HydrophobicContact CG2-CG1 3.68Å; T154-I375 HydrophobicContact CG2-CD1 3.75Å
155A98.9Very high98.8Very high0 Ų017.9 Ų17.90%010%0.095CC..Hα-helixtrans-65.6-41179.800000111.9H151 I152 I158 D159 L224 Y225 L258 F260H151-A155 WeakPolarHBondContact O-CB 3.47Å; H151-A155 PolarHBondContact O-N 2.83Å; I152-A155 PolarHBondContact O-N 3.11Å; A155-I158 PolarHBondContact O-N 3.46Å; A155-D159 WeakPolarHBondContact O-CB 3.46Å; A155-D159 PolarHBondContact O-N 3.46Å; A155-L224 HydrophobicContact CB-CD2 3.74Å; A155-L224 HydrophobicContact CB-CG 4.1Å; A155-Y225 HydrophobicContact CB-CD1 4.44Å; A155-Y225 HydrophobicContact CB-CE1 4.07Å; A155-L258 HydrophobicContact CB-CD1 4.27Å; A155-F260 HydrophobicContact CB-CE1 4.06Å; A155-F260 HydrophobicContact CB-CZ 3.71Å
156I98.8Very high98.9Very high27 Ų2717.9 Ų17.914%0.13810%0.095CC..Hα-helixtrans-61.8-47.3175.3-71.7173000110.8I53 I152 S153 I158 D159 Q160 T256 L258I53-I156 HydrophobicContact CD1-CD1 3.6Å; I152-I156 HydrophobicContact CG2-CD1 3.68Å; I152-I156 HydrophobicContact CG2-CG1 4.48Å; I152-I156 WeakPolarHBondContact O-CB 3.47Å; I152-I156 VanDerWaalsContact O-CG1 3.3Å; I152-I156 WeakPolarHBondContact O-CG1 3.42Å; I152-I156 PolarHBondContact O-N 3.2Å; S153-I156 PolarHBondContact O-N 3.42Å; I156-I158 VanDerWaalsContact C-N 3.32Å; I156-I158 PolarHBondContact O-N 3.44Å; I156-D159 PolarHBondContact O-N 3.36Å; I156-Q160 HydrophobicContact CG2-CG 4.32Å; I156-Q160 WeakPolarHBondContact O-CB 3.42Å; I156-Q160 WeakPolarHBondContact O-CG 3.48Å; I156-Q160 PolarHBondContact O-N 3.48Å; I156-T256 HydrophobicContact CD1-CG2 4.11Å; I156-L258 HydrophobicContact CG1-CD1 4.02Å
157E98.9Very high98.9Very high36 Ų3623.3 Ų23.317%0.16812%0.118CC..Hα-helixtrans-66.7-32.4179.3-74.7-65.1153.700112.6P46 S153 T154 T161 L162 L372 I375P46-E157 HydrophobicContact CB-CG 4.04Å; P46-E157 HydrophobicContact CG-CG 4.13Å; P46-E157 WeakPolarHBondContact CG-OE1 3.48Å; S153-E157 WeakPolarHBondContact O-CB 3.16Å; S153-E157 WeakPolarHBondContact O-CG 3.28Å; S153-E157 PolarHBondContact O-N 3.38Å; T154-E157 PolarHBondContact O-N 3.24Å; E157-T161 WeakPolarHBondContact O-CA 3.26Å; E157-T161 WeakPolarHBondContact O-CB 3.44Å; E157-T161 PolarHBondContact O-N 2.86Å; E157-T161 VanDerWaalsContact O-N 3.09Å; E157-T161 VanDerWaalsContact OE2-CB 3.25Å; E157-T161 WeakPolarHBondContact OE2-CB 3.27Å; E157-T161 PolarHBondContact OE2-OG1 3.48Å; E157-L162 PolarHBondContact O-N 3.14Å; E157-L372 HydrophobicContact CB-CD2 4.21Å; E157-L372 HydrophobicContact CG-CD2 3.91Å; E157-I375 HydrophobicContact CB-CG2 3.78Å
158I98.9Very high98.9Very high0 Ų027.8 Ų27.80%014%0.137CC..Iπ-helixtrans-65.1-50.4172.3-69.5167.7000110.6T154 A155 I156 L162 L163 I217 L221 L224 V279 I375T154-I158 HydrophobicContact CG2-CD1 3.99Å; T154-I158 VanDerWaalsContact O-CG1 3.29Å; T154-I158 WeakPolarHBondContact O-CG1 3.4Å; T154-I158 PolarHBondContact O-N 3.02Å; A155-I158 PolarHBondContact O-N 3.46Å; I156-I158 VanDerWaalsContact C-N 3.32Å; I156-I158 PolarHBondContact O-N 3.44Å; I158-L162 HydrophobicContact CG1-CD2 4.26Å; I158-L162 PolarHBondContact O-N 2.99Å; I158-L163 HydrophobicContact CG2-CD1 3.99Å; I158-L163 HydrophobicContact CG2-CG 3.96Å; I158-L163 WeakPolarHBondContact O-CB 3.42Å; I158-L163 WeakPolarHBondContact O-CG 3.27Å; I158-L163 PolarHBondContact O-N 3.47Å; I158-I217 HydrophobicContact CD1-CD1 3.98Å; I158-I217 HydrophobicContact CD1-CG1 4.14Å; I158-I217 HydrophobicContact CG1-CG1 4.37Å; I158-I217 HydrophobicContact CG2-CG1 3.94Å; I158-L221 HydrophobicContact CB-CD2 4.41Å; I158-L221 HydrophobicContact CD1-CD2 4.2Å; I158-L221 HydrophobicContact CG2-CD2 3.94Å; I158-L224 HydrophobicContact CD1-CD2 3.79Å; I158-V279 HydrophobicContact CD1-CG1 3.98Å; I158-I375 HydrophobicContact CD1-CD1 4.34Å; I158-I375 HydrophobicContact CG1-CD1 3.85Å; I158-I375 HydrophobicContact CG1-CG1 4.39Å
159D98.8Very high98.9Very high70 Ų7027.9 Ų27.937%0.37414%0.138SC..Iπ-helixtrans-68.1-45.9-175.5-177.967.3000112.9A155 I156 P164 L258A155-D159 WeakPolarHBondContact O-CB 3.46Å; A155-D159 PolarHBondContact O-N 3.46Å; I156-D159 PolarHBondContact O-N 3.36Å; D159-P164 WeakPolarHBondContact O-CD 3.18Å; D159-P164 WeakPolarHBondContact O-CG 3.31Å; D159-L258 HydrophobicContact CB-CD2 4.21Å
160Q98.5Very high98.9Very high122 Ų12228.8 Ų28.857%0.5714%0.143SC*.Iπ-helixtrans-94.2-24.8-169.5-59.3-175.23.100113.5I156I156-Q160 HydrophobicContact CG2-CG 4.32Å; I156-Q160 WeakPolarHBondContact O-CB 3.42Å; I156-Q160 WeakPolarHBondContact O-CG 3.48Å; I156-Q160 PolarHBondContact O-N 3.48Å
161T98.8Very high98.9Very high26 Ų2632.1 Ų32.116%0.1617%0.166CC..Iπ-helixtrans-114.3-56.3-173.7-53.40000112E157 S165 A379E157-T161 WeakPolarHBondContact O-CA 3.26Å; E157-T161 WeakPolarHBondContact O-CB 3.44Å; E157-T161 PolarHBondContact O-N 2.86Å; E157-T161 VanDerWaalsContact O-N 3.09Å; E157-T161 VanDerWaalsContact OE2-CB 3.25Å; E157-T161 WeakPolarHBondContact OE2-CB 3.27Å; E157-T161 PolarHBondContact OE2-OG1 3.48Å; T161-S165 WeakPolarHBondContact O-CB 3.16Å; T161-S165 PolarHBondContact O-N 3.28Å; T161-S165 PolarHBondContact O-OG 3.47Å; T161-A379 HydrophobicContact CG2-CB 3.57Å
162L98.9Very high98.9Very high0 Ų031.7 Ų31.70%017%0.165CC..Iπ-helixtrans-72.2-57.4-172.7-176.862.6000113.6E157 I158 S165 L166 I217 L283 I375 I378 A379E157-L162 PolarHBondContact O-N 3.14Å; I158-L162 HydrophobicContact CG1-CD2 4.26Å; I158-L162 PolarHBondContact O-N 2.99Å; L162-S165 PolarHBondContact O-N 2.89Å; L162-S165 VanDerWaalsContact O-N 3.11Å; L162-L166 HydrophobicContact CD1-CD1 3.89Å; L162-L166 HydrophobicContact CD1-CG 4.07Å; L162-L166 HydrophobicContact CG-CD1 3.91Å; L162-L166 HydrophobicContact CG-CG 4.39Å; L162-L166 PolarHBondContact O-N 3.47Å; L162-I217 HydrophobicContact CD2-CD1 4.5Å; L162-I217 HydrophobicContact CD2-CG1 4.07Å; L162-L283 HydrophobicContact CD2-CD2 3.5Å; L162-I375 HydrophobicContact CB-CG2 4.01Å; L162-I375 HydrophobicContact CD2-CG2 4.47Å; L162-I378 HydrophobicContact CD1-CB 3.88Å; L162-I378 HydrophobicContact CD1-CG2 3.46Å; L162-I378 VanDerWaalsContact CD1-CG2 3.46Å; L162-A379 HydrophobicContact CD1-CB 4.34Å
163L98.9Very high98.9Very high8 Ų831.7 Ų31.74%0.04217%0.165CC..Hα-helixtrans-58.9-44.6-175.7-74.2176.9000112.1I158 S165 L166 K167 I214 I217 N218I158-L163 HydrophobicContact CG2-CD1 3.99Å; I158-L163 HydrophobicContact CG2-CG 3.96Å; I158-L163 WeakPolarHBondContact O-CB 3.42Å; I158-L163 WeakPolarHBondContact O-CG 3.27Å; I158-L163 PolarHBondContact O-N 3.47Å; L163-S165 VanDerWaalsContact C-N 3.3Å; L163-S165 PolarHBondContact O-N 2.86Å; L163-L166 PolarHBondContact O-N 3.19Å; L163-K167 WeakPolarHBondContact O-CB 3.33Å; L163-K167 WeakPolarHBondContact O-CG 3.5Å; L163-K167 PolarHBondContact O-N 3.01Å; L163-I214 HydrophobicContact CD2-CG1 4.44Å; L163-I214 HydrophobicContact CD2-CG2 3.88Å; L163-I217 HydrophobicContact CD2-CG2 3.62Å; L163-N218 WeakPolarHBondContact CD1-OD1 3.4Å
164P98.9Very high98.9Very high61 Ų6135.9 Ų35.940%0.39619%0.185SC..Hα-helixtrans-62.3-37.7176-25.737.7000112.7D159 K167 K168D159-P164 WeakPolarHBondContact O-CD 3.18Å; D159-P164 WeakPolarHBondContact O-CG 3.31Å; P164-K167 PolarHBondContact O-N 3.37Å; P164-K168 WeakPolarHBondContact O-CB 3.4Å; P164-K168 PolarHBondContact O-N 3.21Å
165S98.9Very high98.9Very high5 Ų538.7 Ų38.74%0.03521%0.208CC..Hα-helixtrans-70.8-41.9-179.7-60.70000112.4T161 L162 L163 K168 L169 A379T161-S165 WeakPolarHBondContact O-CB 3.16Å; T161-S165 PolarHBondContact O-N 3.28Å; T161-S165 PolarHBondContact O-OG 3.47Å; L162-S165 PolarHBondContact O-N 2.89Å; L162-S165 VanDerWaalsContact O-N 3.11Å; L163-S165 VanDerWaalsContact C-N 3.3Å; L163-S165 PolarHBondContact O-N 2.86Å; S165-K168 WeakPolarHBondContact O-CB 3.33Å; S165-K168 PolarHBondContact O-N 3.26Å; S165-L169 PolarHBondContact O-N 2.91Å; S165-L169 VanDerWaalsContact O-N 3.09Å; S165-A379 WeakPolarHBondContact CB-O 3.26Å; S165-A379 PolarHBondContact OG-O 3.29Å
166L98.9Very high98.9Very high1 Ų139.3 Ų39.31%0.00521%0.211CC..Hα-helixtrans-65.3-41.3173.2-69.4177.1000111.6L162 L163 K168 L169 L170 I210 I214 I286 M290 I378 A382L162-L166 HydrophobicContact CD1-CD1 3.89Å; L162-L166 HydrophobicContact CD1-CG 4.07Å; L162-L166 HydrophobicContact CG-CD1 3.91Å; L162-L166 HydrophobicContact CG-CG 4.39Å; L162-L166 PolarHBondContact O-N 3.47Å; L163-L166 PolarHBondContact O-N 3.19Å; L166-K168 VanDerWaalsContact C-N 3.3Å; L166-K168 PolarHBondContact O-N 3.49Å; L166-L169 PolarHBondContact O-N 3.39Å; L166-L170 WeakPolarHBondContact O-CB 3.2Å; L166-L170 PolarHBondContact O-N 3.19Å; L166-I210 HydrophobicContact CB-CG2 4.37Å; L166-I210 HydrophobicContact CD2-CG2 4.48Å; L166-I214 HydrophobicContact CB-CD1 3.98Å; L166-I214 HydrophobicContact CB-CG1 3.83Å; L166-I214 HydrophobicContact CD1-CG1 4.15Å; L166-I286 HydrophobicContact CD1-CD1 4.05Å; L166-I286 HydrophobicContact CD2-CG2 4.14Å; L166-M290 HydrophobicContact CD2-SD 4.42Å; L166-I378 HydrophobicContact CD2-CG2 3.99Å; L166-A382 HydrophobicContact CD2-CB 4.16Å
167K98.9Very high98.9Very high114 Ų11438.6 Ų38.650%0.49621%0.209SC..Hα-helixtrans-59.5-40.7174-75.3170.9-1771740111.5L163 P164 L170 S171 I214L163-K167 WeakPolarHBondContact O-CB 3.33Å; L163-K167 WeakPolarHBondContact O-CG 3.5Å; L163-K167 PolarHBondContact O-N 3.01Å; P164-K167 PolarHBondContact O-N 3.37Å; K167-L170 WeakPolarHBondContact O-CB 3.41Å; K167-L170 PolarHBondContact O-N 2.99Å; K167-S171 PolarHBondContact O-N 2.94Å; K167-S171 PolarHBondContact O-OG 3.22Å; K167-S171 VanDerWaalsContact O-OG 3.12Å; K167-I214 HydrophobicContact CG-CD1 4.04Å
168K98.9Very high98.9Very high95 Ų9545 Ų4541%0.41324%0.236SC..Hα-helixtrans-62.3-43.4175.5-172.6172.8-175.6172.20112.3P164 S165 L166 A172 A386P164-K168 WeakPolarHBondContact O-CB 3.4Å; P164-K168 PolarHBondContact O-N 3.21Å; S165-K168 WeakPolarHBondContact O-CB 3.33Å; S165-K168 PolarHBondContact O-N 3.26Å; L166-K168 VanDerWaalsContact C-N 3.3Å; L166-K168 PolarHBondContact O-N 3.49Å; K168-A172 PolarHBondContact O-N 3.43Å; K168-A172 VanDerWaalsContact O-N 3.12Å; K168-A386 HydrophobicContact CG-CB 4.31Å
169L98.9Very high98.9Very high2 Ų250.1 Ų50.11%0.0126%0.26CS..Hα-helixtrans-64.6-44174.9178.460.3000111.7S165 L166 S171 A172 L173 I210 M290 A382 F385 A386 V390S165-L169 PolarHBondContact O-N 2.91Å; S165-L169 VanDerWaalsContact O-N 3.09Å; L166-L169 PolarHBondContact O-N 3.39Å; L169-S171 PolarHBondContact O-N 2.93Å; L169-A172 PolarHBondContact O-N 3.37Å; L169-L173 HydrophobicContact CD1-CD1 4.12Å; L169-L173 HydrophobicContact CD1-CG 4.19Å; L169-L173 HydrophobicContact CG-CD1 4Å; L169-L173 WeakPolarHBondContact O-CG 3.36Å; L169-L173 PolarHBondContact O-N 3.21Å; L169-I210 HydrophobicContact CD2-CD1 3.92Å; L169-I210 HydrophobicContact CD2-CG1 4.19Å; L169-I210 HydrophobicContact CG-CG1 4.42Å; L169-M290 HydrophobicContact CD2-CE 4.25Å; L169-A382 HydrophobicContact CB-CB 4.22Å; L169-A382 HydrophobicContact CD2-CB 4Å; L169-F385 HydrophobicContact CD1-CD1 3.83Å; L169-F385 HydrophobicContact CD1-CE1 4.47Å; L169-A386 HydrophobicContact CB-CB 4.34Å; L169-A386 HydrophobicContact CD1-CB 4.13Å; L169-V390 HydrophobicContact CD1-CG2 3.96Å
170L98.9Very high98.9Very high20 Ų2046.9 Ų46.911%0.10524%0.243CC..Hα-helixtrans-55.8-51.217617559000111.3L166 K167 A172 L173 Q174 A207 I210 E211 I214L166-L170 WeakPolarHBondContact O-CB 3.2Å; L166-L170 PolarHBondContact O-N 3.19Å; K167-L170 WeakPolarHBondContact O-CB 3.41Å; K167-L170 PolarHBondContact O-N 2.99Å; L170-A172 VanDerWaalsContact C-N 3.31Å; L170-A172 PolarHBondContact O-N 2.98Å; L170-L173 PolarHBondContact O-N 2.65Å; L170-Q174 HydrophobicContact CD1-CG 4Å; L170-Q174 HydrophobicContact CG-CG 4.45Å; L170-Q174 WeakPolarHBondContact O-CB 3.35Å; L170-Q174 WeakPolarHBondContact O-CG 3.47Å; L170-Q174 PolarHBondContact O-N 3.43Å; L170-A207 HydrophobicContact CD1-CB 3.95Å; L170-A207 WeakPolarHBondContact CD1-O 3.38Å; L170-I210 HydrophobicContact CB-CG2 3.93Å; L170-E211 HydrophobicContact CD1-CB 4.12Å; L170-E211 HydrophobicContact CD2-CB 4.15Å; L170-I214 HydrophobicContact CD2-CD1 4.07Å
171S98.9Very high98.8Very high69 Ų6944.8 Ų44.848%0.48324%0.241SC..Hα-helixtrans-61.4-39.1179.1-600000112.4K167 L169 Q174 A175K167-S171 PolarHBondContact O-N 2.94Å; K167-S171 PolarHBondContact O-OG 3.22Å; K167-S171 VanDerWaalsContact O-OG 3.12Å; L169-S171 PolarHBondContact O-N 2.93Å; S171-Q174 PolarHBondContact O-N 2.74Å; S171-A175 WeakPolarHBondContact O-CB 3.32Å; S171-A175 PolarHBondContact O-N 3.21Å
172A98.9Very high98.7Very high8 Ų846.6 Ų46.67%0.06627%0.265CS..Hα-helixtrans-64.5-43.4176.400000112K168 L169 L170 A175 K176 A386 V390 I391K168-A172 PolarHBondContact O-N 3.43Å; K168-A172 VanDerWaalsContact O-N 3.12Å; L169-A172 PolarHBondContact O-N 3.37Å; L170-A172 VanDerWaalsContact C-N 3.31Å; L170-A172 PolarHBondContact O-N 2.98Å; A172-A175 PolarHBondContact O-N 2.73Å; A172-K176 PolarHBondContact O-N 3.41Å; A172-K176 VanDerWaalsContact O-N 3.1Å; A172-A386 HydrophobicContact CB-CB 4.22Å; A172-V390 HydrophobicContact CB-CB 4.25Å; A172-V390 HydrophobicContact CB-CG1 3.8Å; A172-I391 HydrophobicContact CB-CG1 3.85Å
173L98.9Very high98.7Very high0 Ų047.5 Ų47.50%027%0.27CS..Hα-helixtrans-66-42.2176.6-71.1168.4000111.9L169 L170 K176 A177 F203 Y206 A207 I210 I293 V390L169-L173 HydrophobicContact CD1-CD1 4.12Å; L169-L173 HydrophobicContact CD1-CG 4.19Å; L169-L173 HydrophobicContact CG-CD1 4Å; L169-L173 WeakPolarHBondContact O-CG 3.36Å; L169-L173 PolarHBondContact O-N 3.21Å; L170-L173 PolarHBondContact O-N 2.65Å; L173-K176 PolarHBondContact O-N 3.32Å; L173-A177 WeakPolarHBondContact O-CB 3.48Å; L173-A177 PolarHBondContact O-N 3.4Å; L173-F203 HydrophobicContact CD2-CD1 4.12Å; L173-F203 HydrophobicContact CD2-CE1 4.31Å; L173-Y206 HydrophobicContact CD2-CD2 4.41Å; L173-A207 HydrophobicContact CB-CB 4.12Å; L173-I210 HydrophobicContact CD1-CG1 3.79Å; L173-I293 HydrophobicContact CD2-CG2 4.5Å; L173-V390 HydrophobicContact CD2-CG1 3.86Å; L173-V390 HydrophobicContact CD2-CG2 4.41Å; L173-V390 HydrophobicContact CG-CG1 4.21Å
174Q98.9Very high98.6Very high89 Ų8948 Ų4842%0.41627%0.273SS..Hα-helixtrans-63.4-40.8176.2-74.1175.5-30.700112.1L170 S171 A177 K178 A207L170-Q174 HydrophobicContact CD1-CG 4Å; L170-Q174 HydrophobicContact CG-CG 4.45Å; L170-Q174 WeakPolarHBondContact O-CB 3.35Å; L170-Q174 WeakPolarHBondContact O-CG 3.47Å; L170-Q174 PolarHBondContact O-N 3.43Å; S171-Q174 PolarHBondContact O-N 2.74Å; Q174-A177 PolarHBondContact O-N 2.83Å; Q174-K178 PolarHBondContact O-N 3.38Å; Q174-A207 HydrophobicContact CG-CB 3.75Å
175A98.9Very high98.6Very high59 Ų5945.2 Ų45.249%0.48826%0.255SS..Hα-helixtrans-60.9-44.9175.200000111.3S171 A172 K178 E179S171-A175 WeakPolarHBondContact O-CB 3.32Å; S171-A175 PolarHBondContact O-N 3.21Å; A172-A175 PolarHBondContact O-N 2.73Å; A175-K178 PolarHBondContact O-N 3.24Å; A175-E179 WeakPolarHBondContact O-CB 3.36Å; A175-E179 PolarHBondContact O-N 3.09Å
176K98.8Very high98.6Very high14 Ų1445.4 Ų45.46%0.06126%0.255CS..Hα-helixtrans-67-37.8175.8-72.4-70.2166.5-1640113.1A172 L173 K178 E179 F180 F203 V390 I391 I393A172-K176 PolarHBondContact O-N 3.41Å; A172-K176 VanDerWaalsContact O-N 3.1Å; L173-K176 PolarHBondContact O-N 3.32Å; K176-K178 VanDerWaalsContact C-N 3.26Å; K176-K178 PolarHBondContact O-N 3.12Å; K176-E179 WeakPolarHBondContact CD-OE2 3.49Å; K176-E179 WeakPolarHBondContact CE-OE2 3.38Å; K176-E179 VanDerWaalsContact NZ-CD 3.3Å; K176-E179 IonicContact NZ-OE1 3.81Å; K176-E179 PolarHBondContact NZ-OE1 3.48Å; K176-E179 VanDerWaalsContact NZ-OE1 3.13Å; K176-E179 IonicContact NZ-OE2 3.84Å; K176-E179 PolarHBondContact NZ-OE2 2.92Å; K176-E179 PolarHBondContact O-N 2.97Å; K176-F180 HydrophobicContact CB-CD2 4.32Å; K176-F180 HydrophobicContact CB-CE2 4.1Å; K176-F180 HydrophobicContact CD-CE1 4.33Å; K176-F180 HydrophobicContact CD-CE2 3.78Å; K176-F180 HydrophobicContact CD-CZ 3.6Å; K176-F180 HydrophobicContact CG-CE2 4.43Å; K176-F180 WeakPolarHBondContact O-CB 3.36Å; K176-F180 WeakPolarHBondContact O-CD2 3.38Å; K176-F180 VanDerWaalsContact O-CG 3.29Å; K176-F180 WeakPolarHBondContact O-CG 3.48Å; K176-F180 PolarHBondContact O-N 2.88Å; K176-F203 HydrophobicContact CB-CD1 3.62Å; K176-F203 HydrophobicContact CB-CE1 3.83Å; K176-F203 HydrophobicContact CG-CE1 4.42Å; K176-V390 WeakPolarHBondContact CE-O 3.37Å; K176-V390 HydrophobicContact CG-CG1 4.27Å; K176-V390 WeakPolarHBondContact CG-O 3.23Å; K176-I391 WeakPolarHBondContact CE-O 3.38Å; K176-I391 PolarHBondContact NZ-O 3.29Å; K176-I391 VanDerWaalsContact NZ-O 3.12Å; K176-I393 HydrophobicContact CD-CB 4.35Å; K176-I393 VanDerWaalsContact CE-O 3.26Å; K176-I393 WeakPolarHBondContact CE-O 3.36Å; K176-I393 PolarHBondContact NZ-O 2.95Å
177A98.8Very high98.5Very high12 Ų1245.5 Ų45.510%0.09926%0.257CS..Hα-helixtrans-58.4-41.4173.800000111.7L173 Q174 S181 G200 F203L173-A177 WeakPolarHBondContact O-CB 3.48Å; L173-A177 PolarHBondContact O-N 3.4Å; Q174-A177 PolarHBondContact O-N 2.83Å; A177-S181 PolarHBondContact O-N 3.12Å; A177-G200 WeakPolarHBondContact O-CA 3.39Å; A177-F203 HydrophobicContact CB-CB 3.78Å
178K98.8Very high98.5Very high171 Ų17143.7 Ų43.774%0.74325%0.247SC*.Hα-helixtrans-69.6-44.7175.4-174.6179.1178.5-178.60112.2Q174 A175 K176 F180 S181Q174-K178 PolarHBondContact O-N 3.38Å; A175-K178 PolarHBondContact O-N 3.24Å; K176-K178 VanDerWaalsContact C-N 3.26Å; K176-K178 PolarHBondContact O-N 3.12Å; K178-F180 VanDerWaalsContact C-N 3.25Å; K178-F180 PolarHBondContact O-N 3.33Å; K178-S181 PolarHBondContact O-N 3.48Å; K178-S181 PolarHBondContact O-OG 3.29Å
179E98.8Very high98.5Very high106 Ų10643.3 Ų43.350%0.49525%0.253SS..Hα-helixtrans-57.9-39.7177-174.3-177.3146.100111.6A175 K176A175-E179 WeakPolarHBondContact O-CB 3.36Å; A175-E179 PolarHBondContact O-N 3.09Å; K176-E179 WeakPolarHBondContact CD-OE2 3.49Å; K176-E179 WeakPolarHBondContact CE-OE2 3.38Å; K176-E179 VanDerWaalsContact NZ-CD 3.3Å; K176-E179 IonicContact NZ-OE1 3.81Å; K176-E179 PolarHBondContact NZ-OE1 3.48Å; K176-E179 VanDerWaalsContact NZ-OE1 3.13Å; K176-E179 IonicContact NZ-OE2 3.84Å; K176-E179 PolarHBondContact NZ-OE2 2.92Å; K176-E179 PolarHBondContact O-N 2.97Å
180F98.8Very high98.4Very high3 Ų351.6 Ų51.61%0.01329%0.291CS..THydrogen-bonded Turntrans-95.610.9-175.3-56.6-26.3000114.5K176 K178 G182 I183 L199 G200 F203 L311 I393 A395K176-F180 HydrophobicContact CB-CD2 4.32Å; K176-F180 HydrophobicContact CB-CE2 4.1Å; K176-F180 HydrophobicContact CD-CE1 4.33Å; K176-F180 HydrophobicContact CD-CE2 3.78Å; K176-F180 HydrophobicContact CD-CZ 3.6Å; K176-F180 HydrophobicContact CG-CE2 4.43Å; K176-F180 WeakPolarHBondContact O-CB 3.36Å; K176-F180 WeakPolarHBondContact O-CD2 3.38Å; K176-F180 VanDerWaalsContact O-CG 3.29Å; K176-F180 WeakPolarHBondContact O-CG 3.48Å; K176-F180 PolarHBondContact O-N 2.88Å; K178-F180 VanDerWaalsContact C-N 3.25Å; K178-F180 PolarHBondContact O-N 3.33Å; F180-G182 PolarHBondContact O-N 2.9Å; F180-I183 HydrophobicContact CB-CD1 4.34Å; F180-I183 HydrophobicContact CD1-CD1 3.77Å; F180-I183 HydrophobicContact CG-CD1 4.37Å; F180-I183 PolarHBondContact O-N 3.42Å; F180-I183 VanDerWaalsContact O-N 3.11Å; F180-L199 HydrophobicContact CB-CB 3.62Å; F180-L199 HydrophobicContact CD2-CB 4.29Å; F180-L199 HydrophobicContact CG-CB 4.24Å; F180-G200 PolarHBondContact O-N 3.4Å; F180-F203 HydrophobicContact CD2-CD2 4.22Å; F180-F203 HydrophobicContact CD2-CE2 4.18Å; F180-F203 HydrophobicContact CD2-CG 4.46Å; F180-F203 HydrophobicContact CD2-CZ 4.4Å; F180-F203 HydrophobicContact CE2-CE1 4.34Å; F180-F203 HydrophobicContact CE2-CE2 4.25Å; F180-F203 HydrophobicContact CE2-CZ 4.07Å; F180-L311 HydrophobicContact CE2-CD2 4.44Å; F180-I393 HydrophobicContact CE2-CG2 3.93Å; F180-I393 HydrophobicContact CZ-CG2 3.95Å; F180-A395 HydrophobicContact CD1-CB 4.35Å; F180-A395 HydrophobicContact CE1-CB 4.17Å
181S97.7Very high98.3Very high78 Ų7856.2 Ų56.255%0.54532%0.32SS..THydrogen-bonded Turntrans-60.1-32.5-173.967.40000113.5A177 K178 S198A177-S181 PolarHBondContact O-N 3.12Å; K178-S181 PolarHBondContact O-N 3.48Å; K178-S181 PolarHBondContact O-OG 3.29Å; S181-S198 VanDerWaalsContact O-CB 3.29Å; S181-S198 WeakPolarHBondContact O-CB 3.4Å; S181-S198 PolarHBondContact O-OG 3.39Å
182G96.5Very high98.2Very high63 Ų6359 Ų5965%0.64933%0.325SS*.THydrogen-bonded Turntrans-88.7-5.4179.800000115.3F180 V184F180-G182 PolarHBondContact O-N 2.9Å; G182-V184 PolarHBondContact O-N 3.33Å
183I98.1Very high98.2Very high20 Ų2062.5 Ų62.510%0.10334%0.343CS..  trans-92.7100.3-173.1-54178.2000109.2F180 S198 L199 A395 E397 I400F180-I183 HydrophobicContact CB-CD1 4.34Å; F180-I183 HydrophobicContact CD1-CD1 3.77Å; F180-I183 HydrophobicContact CG-CD1 4.37Å; F180-I183 PolarHBondContact O-N 3.42Å; F180-I183 VanDerWaalsContact O-N 3.11Å; I183-S198 CarbonylContact O-C 3.49Å; I183-S198 WeakPolarHBondContact O-CA 3.24Å; I183-S198 WeakPolarHBondContact O-CB 3.45Å; I183-L199 HydrophobicContact CB-CB 4.43Å; I183-L199 HydrophobicContact CB-CD1 4.38Å; I183-L199 HydrophobicContact CG2-CD1 3.93Å; I183-L199 PolarHBondContact O-N 2.95Å; I183-A395 HydrophobicContact CD1-CB 3.46Å; I183-A395 VanDerWaalsContact CD1-CB 3.46Å; I183-A395 HydrophobicContact CG2-CB 4.48Å; I183-E397 HydrophobicContact CD1-CG 3.97Å; I183-E397 HydrophobicContact CG1-CG 4.45Å; I183-E397 HydrophobicContact CG2-CG 4.35Å; I183-I400 HydrophobicContact CG2-CD1 3.91Å; I183-I400 HydrophobicContact CG2-CG2 4.26Å
184V97.9Very high98Very high19 Ų1963.1 Ų63.112%0.11535%0.349CS..EExtended strand (participates in β ladder)trans-80.9129.5179.5-175.30000110.7G182 P196 I400 P458 L462G182-V184 PolarHBondContact O-N 3.33Å; V184-P196 HydrophobicContact CG1-CB 3.76Å; V184-I400 WeakPolarHBondContact O-CG2 3.25Å; V184-P458 HydrophobicContact CG1-CB 3.93Å; V184-L462 HydrophobicContact CG1-CD2 4.04Å; V184-L462 HydrophobicContact CG2-CD1 3.83Å; V184-L462 HydrophobicContact CG2-CD2 4.46Å
185K98.4Very high97.8Very high2 Ų263.1 Ų63.11%0.00935%0.354CS..EExtended strand (participates in β ladder)trans-128.8168.9176.959.4163-83-178.10111.4P196 L197 L199 E202 E310 I400K185-P196 VanDerWaalsContact O-CA 3.25Å; K185-P196 WeakPolarHBondContact O-CA 3.26Å; K185-L197 VanDerWaalsContact CG-O 3.28Å; K185-L197 WeakPolarHBondContact CG-O 3.3Å; K185-L197 PolarHBondContact N-O 2.95Å; K185-L197 PolarHBondContact O-N 3.2Å; K185-L197 VanDerWaalsContact O-N 3.11Å; K185-L199 HydrophobicContact CD-CD2 3.56Å; K185-L199 HydrophobicContact CD-CG 3.8Å; K185-L199 HydrophobicContact CG-CD2 4.49Å; K185-L199 HydrophobicContact CG-CG 4.22Å; K185-E202 VanDerWaalsContact NZ-CD 3.28Å; K185-E202 IonicContact NZ-OE1 3.34Å; K185-E202 PolarHBondContact NZ-OE1 3.35Å; K185-E202 IonicContact NZ-OE2 2.7Å; K185-E202 PolarHBondContact NZ-OE2 2.86Å; K185-E310 VanDerWaalsContact CD-OE2 3.26Å; K185-E310 WeakPolarHBondContact CD-OE2 3.3Å; K185-E310 WeakPolarHBondContact CE-OE2 3.34Å; K185-E310 IonicContact NZ-OE2 3.47Å; K185-E310 PolarHBondContact NZ-OE2 2.97Å; K185-I400 HydrophobicContact CB-CG2 3.99Å
186I98.1Very high97.7Very high8 Ų860.7 Ų60.74%0.04133%0.333CS..EExtended strand (participates in β ladder)trans-76.4127.1170.9-65.1-58.3000109.5D193 S407I186-D193 HydrophobicContact CG2-CB 3.99Å; I186-S407 VanDerWaalsContact CD1-CB 3.49Å; I186-S407 WeakPolarHBondContact CD1-OG 3.21Å
187G98Very high97.6Very high4 Ų462.1 Ų62.14%0.04134%0.341CS..EExtended strand (participates in β ladder)trans-69.7161.2172.100000111.7A194 V195G187-A194 WeakPolarHBondContact O-CB 3.12Å; G187-A194 PolarHBondContact O-N 3.12Å; G187-V195 WeakPolarHBondContact CA-O 3.09Å; G187-V195 PolarHBondContact N-O 3.14Å; G187-V195 VanDerWaalsContact N-O 3.09Å
188R98.6Very high97.6Very high75 Ų7561.9 Ų61.928%0.28334%0.339SS..EExtended strand (participates in β ladder)trans-130.9124.9172.2-65.4-173.2-174.678.67.5111.4Q192 E310R188-Q192 VanDerWaalsContact CA-O 3.23Å; R188-Q192 WeakPolarHBondContact CA-O 3.45Å; R188-E310 IonicContact CZ-OE1 2.7Å; R188-E310 IonicContact NH1-OE1 3.36Å; R188-E310 PolarHBondContact NH1-OE1 3.02Å; R188-E310 IonicContact NH1-OE2 2.94Å; R188-E310 IonicContact NH2-OE1 3.87Å; R188-E310 PolarHBondContact NH2-OE1 2.93Å
189T98Very high97.6Very high88 Ų8853.7 Ų53.754%0.5430%0.304SS..EExtended strand (participates in β ladder)trans-124.5136.9169.361.30000107.7T191 Q192 A194T189-T191 PolarHBondContact O-N 2.73Å; T189-Q192 PolarHBondContact N-O 3.41Å; T189-Q192 PolarHBondContact O-N 3.26Å; T189-A194 HydrophobicContact CG2-CB 4.29Å
190H97.6Very high97.6Very high175 Ų17549 Ų4981%0.8128%0.283SS*.THydrogen-bonded Turntrans53.528.4-170.6-51.4-92.1000113.6Q192H190-Q192 PolarHBondContact O-N 2.94Å; H190-Q192 VanDerWaalsContact O-N 3.16Å
191T96.9Very high97.6Very high118 Ų11852.7 Ų52.772%0.72430%0.301SS*.THydrogen-bonded Turntrans64.61.9-172.7740000116T189T189-T191 PolarHBondContact O-N 2.73Å
192Q97.7Very high97.6Very high126 Ų12650.6 Ų50.659%0.58928%0.282SS*.EExtended strand (participates in β ladder)trans-90156.1176.9-58-59.1-63.100111R188 T189 H190 A194R188-Q192 VanDerWaalsContact CA-O 3.23Å; R188-Q192 WeakPolarHBondContact CA-O 3.45Å; T189-Q192 PolarHBondContact N-O 3.41Å; T189-Q192 PolarHBondContact O-N 3.26Å; H190-Q192 PolarHBondContact O-N 2.94Å; H190-Q192 VanDerWaalsContact O-N 3.16Å; Q192-A194 PolarHBondContact O-N 3.4Å
193D97.7Very high97.8Very high82 Ų8247.6 Ų47.644%0.43925%0.251SS..EExtended strand (participates in β ladder)trans-56.6134.5172.9-72.65.5000110.7I186 M409I186-D193 HydrophobicContact CG2-CB 3.99Å; D193-M409 HydrophobicContact CB-CG 3.78Å; D193-M409 HydrophobicContact CB-SD 4.5Å; D193-M409 VanDerWaalsContact O-SD 3.36Å
194A95.2Very high97.8Very high14 Ų1449.6 Ų49.612%0.11627%0.267CS..EExtended strand (participates in β ladder)trans-133-175.917900000111.6G187 T189 Q192 M409G187-A194 WeakPolarHBondContact O-CB 3.12Å; G187-A194 PolarHBondContact O-N 3.12Å; T189-A194 HydrophobicContact CG2-CB 4.29Å; Q192-A194 PolarHBondContact O-N 3.4Å; A194-M409 VanDerWaalsContact O-CB 3.29Å; A194-M409 WeakPolarHBondContact O-CB 3.48Å; A194-M409 WeakPolarHBondContact O-CG 3.44Å
195V94.1Very high97.8Very high88 Ų8850.2 Ų50.253%0.53328%0.277SS..EExtended strand (participates in β ladder)trans-59.9157.6176.5-64.80000112.3G187G187-V195 WeakPolarHBondContact CA-O 3.09Å; G187-V195 PolarHBondContact N-O 3.14Å; G187-V195 VanDerWaalsContact N-O 3.09Å
196P96.4Very high97.9Very high8 Ų850.2 Ų50.25%0.05228%0.277CS..EExtended strand (participates in β ladder)trans-67.8152.9-176.1-20.834.3000114.4V184 K185 L410 M461 L462V184-P196 HydrophobicContact CG1-CB 3.76Å; K185-P196 VanDerWaalsContact O-CA 3.25Å; K185-P196 WeakPolarHBondContact O-CA 3.26Å; P196-L410 HydrophobicContact CG-CD2 3.43Å; P196-L410 VanDerWaalsContact CG-CD2 3.43Å; P196-M461 HydrophobicContact CG-CB 4.36Å; P196-M461 HydrophobicContact CG-SD 4.42Å; P196-L462 HydrophobicContact CB-CD2 4.12Å
197L98.3Very high97.9Very high44 Ų4450.1 Ų50.123%0.2328%0.278CS..EExtended strand (participates in β ladder)trans-144163.5160.369.9154.3000108.6K185 Q201 E202K185-L197 VanDerWaalsContact CG-O 3.28Å; K185-L197 WeakPolarHBondContact CG-O 3.3Å; K185-L197 PolarHBondContact N-O 2.95Å; K185-L197 PolarHBondContact O-N 3.2Å; K185-L197 VanDerWaalsContact O-N 3.11Å; L197-Q201 HydrophobicContact CB-CB 4.46Å; L197-Q201 HydrophobicContact CD1-CB 4.23Å; L197-E202 HydrophobicContact CD1-CB 3.87Å
198S98.2Very high98Very high7 Ų754.5 Ų54.55%0.04930%0.296CS..EExtended strand (participates in β ladder)trans-80151.1169.676.30000112S181 I183 G200 Q201 E202S181-S198 VanDerWaalsContact O-CB 3.29Å; S181-S198 WeakPolarHBondContact O-CB 3.4Å; S181-S198 PolarHBondContact O-OG 3.39Å; I183-S198 CarbonylContact O-C 3.49Å; I183-S198 WeakPolarHBondContact O-CA 3.24Å; I183-S198 WeakPolarHBondContact O-CB 3.45Å; S198-G200 PolarHBondContact O-N 2.88Å; S198-G200 PolarHBondContact OG-N 2.79Å; S198-Q201 WeakPolarHBondContact O-CB 3.44Å; S198-Q201 PolarHBondContact O-N 3.27Å; S198-Q201 WeakPolarHBondContact OG-CG 3.4Å; S198-Q201 PolarHBondContact OG-N 2.8Å; S198-E202 PolarHBondContact O-N 3.19Å; S198-E202 VanDerWaalsContact O-N 3.07Å
199L98.6Very high98Very high0 Ų053.5 Ų53.50%029%0.294CS..Hα-helixtrans-56.3-32.6168-89177.2000111F180 I183 K185 E202 F203 L311 A395 I400F180-L199 HydrophobicContact CB-CB 3.62Å; F180-L199 HydrophobicContact CD2-CB 4.29Å; F180-L199 HydrophobicContact CG-CB 4.24Å; I183-L199 HydrophobicContact CB-CB 4.43Å; I183-L199 HydrophobicContact CB-CD1 4.38Å; I183-L199 HydrophobicContact CG2-CD1 3.93Å; I183-L199 PolarHBondContact O-N 2.95Å; K185-L199 HydrophobicContact CD-CD2 3.56Å; K185-L199 HydrophobicContact CD-CG 3.8Å; K185-L199 HydrophobicContact CG-CD2 4.49Å; K185-L199 HydrophobicContact CG-CG 4.22Å; L199-E202 WeakPolarHBondContact CD2-OE2 3.44Å; L199-E202 PolarHBondContact O-N 3.46Å; L199-F203 HydrophobicContact CD2-CE2 4.43Å; L199-F203 WeakPolarHBondContact O-CB 3.46Å; L199-F203 WeakPolarHBondContact O-CD2 3.35Å; L199-F203 PolarHBondContact O-N 3.4Å; L199-L311 HydrophobicContact CD1-CD2 4.19Å; L199-L311 HydrophobicContact CD2-CD2 4.35Å; L199-A395 HydrophobicContact CD1-CB 3.8Å; L199-I400 HydrophobicContact CD1-CD1 3.62Å
200G98.7Very high98Very high6 Ų649.4 Ų49.46%0.06227%0.269CS..Hα-helixtrans-62.7-40.6172.800000113.8A177 F180 S198 F203 S204A177-G200 WeakPolarHBondContact O-CA 3.39Å; F180-G200 PolarHBondContact O-N 3.4Å; S198-G200 PolarHBondContact O-N 2.88Å; S198-G200 PolarHBondContact OG-N 2.79Å; G200-F203 PolarHBondContact O-N 2.97Å; G200-S204 WeakPolarHBondContact O-CB 3.49Å; G200-S204 PolarHBondContact O-N 3.39Å
201Q98.7Very high98.1Very high82 Ų8244.4 Ų44.438%0.38325%0.246SC..Hα-helixtrans-65.1-38.4173-73.8170.5-44.900111.7L197 S198 S204 G205 L462L197-Q201 HydrophobicContact CB-CB 4.46Å; L197-Q201 HydrophobicContact CD1-CB 4.23Å; S198-Q201 WeakPolarHBondContact O-CB 3.44Å; S198-Q201 PolarHBondContact O-N 3.27Å; S198-Q201 WeakPolarHBondContact OG-CG 3.4Å; S198-Q201 PolarHBondContact OG-N 2.8Å; Q201-S204 PolarHBondContact O-N 3.47Å; Q201-S204 PolarHBondContact O-OG 2.97Å; Q201-G205 PolarHBondContact O-N 3.44Å; Q201-L462 PolarHBondContact NE2-O 2.59Å
202E98.9Very high98.2Very high34 Ų3439.8 Ų39.816%0.15922%0.218CC..Hα-helixtrans-64.7-47.4176.1-170.8170-120.600111.4K185 L197 S198 L199 S204 G205 Y206 L300K185-E202 VanDerWaalsContact NZ-CD 3.28Å; K185-E202 IonicContact NZ-OE1 3.34Å; K185-E202 PolarHBondContact NZ-OE1 3.35Å; K185-E202 IonicContact NZ-OE2 2.7Å; K185-E202 PolarHBondContact NZ-OE2 2.86Å; L197-E202 HydrophobicContact CD1-CB 3.87Å; S198-E202 PolarHBondContact O-N 3.19Å; S198-E202 VanDerWaalsContact O-N 3.07Å; L199-E202 WeakPolarHBondContact CD2-OE2 3.44Å; L199-E202 PolarHBondContact O-N 3.46Å; E202-S204 VanDerWaalsContact C-N 3.34Å; E202-S204 PolarHBondContact O-N 3.08Å; E202-G205 PolarHBondContact O-N 3.34Å; E202-Y206 HydrophobicContact CG-CE1 4.48Å; E202-Y206 HydrophobicContact CG-CE2 4.22Å; E202-Y206 VanDerWaalsContact CG-OH 3.28Å; E202-Y206 WeakPolarHBondContact CG-OH 3.25Å; E202-Y206 PolarHBondContact O-N 2.81Å; E202-L300 WeakPolarHBondContact OE2-CD1 3.36Å
203F98.9Very high98.2Very high0 Ų033.8 Ų33.80%019%0.191CC..Hα-helixtrans-68.9-28.6178.2-88.9-112.3000113.6L173 K176 A177 F180 L199 G200 G205 Y206 A207 I297 L311 I393L173-F203 HydrophobicContact CD2-CD1 4.12Å; L173-F203 HydrophobicContact CD2-CE1 4.31Å; K176-F203 HydrophobicContact CB-CD1 3.62Å; K176-F203 HydrophobicContact CB-CE1 3.83Å; K176-F203 HydrophobicContact CG-CE1 4.42Å; A177-F203 HydrophobicContact CB-CB 3.78Å; F180-F203 HydrophobicContact CD2-CD2 4.22Å; F180-F203 HydrophobicContact CD2-CE2 4.18Å; F180-F203 HydrophobicContact CD2-CG 4.46Å; F180-F203 HydrophobicContact CD2-CZ 4.4Å; F180-F203 HydrophobicContact CE2-CE1 4.34Å; F180-F203 HydrophobicContact CE2-CE2 4.25Å; F180-F203 HydrophobicContact CE2-CZ 4.07Å; L199-F203 HydrophobicContact CD2-CE2 4.43Å; L199-F203 WeakPolarHBondContact O-CB 3.46Å; L199-F203 WeakPolarHBondContact O-CD2 3.35Å; L199-F203 PolarHBondContact O-N 3.4Å; G200-F203 PolarHBondContact O-N 2.97Å; F203-G205 VanDerWaalsContact C-N 3.26Å; F203-G205 PolarHBondContact O-N 3.09Å; F203-Y206 HydrophobicContact CB-CD2 4.3Å; F203-Y206 HydrophobicContact CD1-CD2 4.12Å; F203-Y206 HydrophobicContact CD2-CD2 4.12Å; F203-Y206 AromaticContact CD2-CE2 3.82Å; F203-Y206 HydrophobicContact CD2-CE2 3.82Å; F203-Y206 HydrophobicContact CE1-CD2 4.49Å; F203-Y206 HydrophobicContact CE2-CD2 4.49Å; F203-Y206 AromaticContact CE2-CE2 3.98Å; F203-Y206 HydrophobicContact CE2-CE2 3.98Å; F203-Y206 AromaticContact CG-CD2 3.93Å; F203-Y206 HydrophobicContact CG-CD2 3.93Å; F203-Y206 HydrophobicContact CG-CE2 4.12Å; F203-Y206 HydrophobicContact CZ-CE2 4.41Å; F203-Y206 WeakPolarHBondContact O-CB 3.39Å; F203-Y206 PolarHBondContact O-N 3.42Å; F203-A207 PolarHBondContact O-N 3.17Å; F203-I297 HydrophobicContact CZ-CG1 4.46Å; F203-L311 HydrophobicContact CE2-CD1 4.2Å; F203-L311 HydrophobicContact CZ-CD1 4.04Å; F203-I393 HydrophobicContact CE1-CD1 4.2Å; F203-I393 HydrophobicContact CZ-CD1 4.1Å; F203-I393 HydrophobicContact CZ-CG2 4.37Å
204S98.9Very high98.3Very high61 Ų6130.7 Ų30.743%0.42717%0.174SC..Hα-helixtrans-66-32.5174.178.80000111.6G200 Q201 E202 A207 K208G200-S204 WeakPolarHBondContact O-CB 3.49Å; G200-S204 PolarHBondContact O-N 3.39Å; Q201-S204 PolarHBondContact O-N 3.47Å; Q201-S204 PolarHBondContact O-OG 2.97Å; E202-S204 VanDerWaalsContact C-N 3.34Å; E202-S204 PolarHBondContact O-N 3.08Å; S204-A207 PolarHBondContact O-N 3.44Å; S204-K208 PolarHBondContact O-N 3.47Å
205G98.9Very high98.5Very high33 Ų3334.7 Ų34.734%0.3419%0.19SC..Hα-helixtrans-59.5-47.4169.500000112.1Q201 E202 F203 A207 K208 Q209Q201-G205 PolarHBondContact O-N 3.44Å; E202-G205 PolarHBondContact O-N 3.34Å; F203-G205 VanDerWaalsContact C-N 3.26Å; F203-G205 PolarHBondContact O-N 3.09Å; G205-A207 PolarHBondContact O-N 2.81Å; G205-K208 PolarHBondContact O-N 2.79Å; G205-Q209 WeakPolarHBondContact O-CG 3.48Å; G205-Q209 PolarHBondContact O-N 3.37Å
206Y98.9Very high98.7Very high1 Ų135.6 Ų35.60%0.00418%0.184CC..Hα-helixtrans-61.1-45.8176.8-52.7-30.3000112.1L173 E202 F203 K208 Q209 I210 K292 I293 D296L173-Y206 HydrophobicContact CD2-CD2 4.41Å; E202-Y206 HydrophobicContact CG-CE1 4.48Å; E202-Y206 HydrophobicContact CG-CE2 4.22Å; E202-Y206 VanDerWaalsContact CG-OH 3.28Å; E202-Y206 WeakPolarHBondContact CG-OH 3.25Å; E202-Y206 PolarHBondContact O-N 2.81Å; F203-Y206 HydrophobicContact CB-CD2 4.3Å; F203-Y206 HydrophobicContact CD1-CD2 4.12Å; F203-Y206 HydrophobicContact CD2-CD2 4.12Å; F203-Y206 AromaticContact CD2-CE2 3.82Å; F203-Y206 HydrophobicContact CD2-CE2 3.82Å; F203-Y206 HydrophobicContact CE1-CD2 4.49Å; F203-Y206 HydrophobicContact CE2-CD2 4.49Å; F203-Y206 AromaticContact CE2-CE2 3.98Å; F203-Y206 HydrophobicContact CE2-CE2 3.98Å; F203-Y206 AromaticContact CG-CD2 3.93Å; F203-Y206 HydrophobicContact CG-CD2 3.93Å; F203-Y206 HydrophobicContact CG-CE2 4.12Å; F203-Y206 HydrophobicContact CZ-CE2 4.41Å; F203-Y206 WeakPolarHBondContact O-CB 3.39Å; F203-Y206 PolarHBondContact O-N 3.42Å; Y206-K208 VanDerWaalsContact C-N 3.32Å; Y206-K208 PolarHBondContact O-N 3.09Å; Y206-Q209 PolarHBondContact O-N 3.02Å; Y206-I210 PolarHBondContact O-N 3.19Å; Y206-K292 HydrophobicContact CE1-CD 4.37Å; Y206-I293 HydrophobicContact CD1-CB 4.41Å; Y206-I293 HydrophobicContact CD1-CG1 3.73Å; Y206-I293 HydrophobicContact CD1-CG2 4.44Å; Y206-I293 HydrophobicContact CD2-CG2 4.34Å; Y206-I293 HydrophobicContact CG-CB 4.49Å; Y206-I293 HydrophobicContact CG-CG1 3.95Å; Y206-I293 HydrophobicContact CG-CG2 4.06Å; Y206-D296 HydrophobicContact CE1-CB 4.24Å; Y206-D296 WeakPolarHBondContact CE1-OD2 3.43Å; Y206-D296 VanDerWaalsContact OH-CB 3.24Å; Y206-D296 WeakPolarHBondContact OH-CB 3.32Å; Y206-D296 PolarHBondContact OH-OD2 3.11Å; Y206-D296 VanDerWaalsContact OH-OD2 3.13Å
207A98.9Very high98.8Very high6 Ų635.2 Ų35.25%0.0518%0.182CC..Hα-helixtrans-57.5-46.3176.200000110.9L170 L173 Q174 F203 S204 G205 Q209 I210 E211L170-A207 HydrophobicContact CD1-CB 3.95Å; L170-A207 WeakPolarHBondContact CD1-O 3.38Å; L173-A207 HydrophobicContact CB-CB 4.12Å; Q174-A207 HydrophobicContact CG-CB 3.75Å; F203-A207 PolarHBondContact O-N 3.17Å; S204-A207 PolarHBondContact O-N 3.44Å; G205-A207 PolarHBondContact O-N 2.81Å; A207-Q209 VanDerWaalsContact C-N 3.31Å; A207-Q209 PolarHBondContact O-N 3.05Å; A207-I210 PolarHBondContact O-N 3.08Å; A207-E211 PolarHBondContact O-N 3.21Å
208K98.9Very high98.8Very high97 Ų9736.2 Ų36.242%0.42219%0.187SC..Hα-helixtrans-63.4-36.4178.8-174.957.3-173.7172.30112.7S204 G205 Y206 I210 E211 S212 E215S204-K208 PolarHBondContact O-N 3.47Å; G205-K208 PolarHBondContact O-N 2.79Å; Y206-K208 VanDerWaalsContact C-N 3.32Å; Y206-K208 PolarHBondContact O-N 3.09Å; K208-I210 VanDerWaalsContact C-N 3.35Å; K208-I210 PolarHBondContact O-N 3.08Å; K208-E211 HydrophobicContact CD-CB 4.5Å; K208-E211 WeakPolarHBondContact CD-OE2 3.36Å; K208-E211 WeakPolarHBondContact CE-OE2 3.4Å; K208-E211 IonicContact NZ-OE2 3.6Å; K208-E211 PolarHBondContact NZ-OE2 3.28Å; K208-E211 PolarHBondContact O-N 3.13Å; K208-S212 WeakPolarHBondContact CE-OG 3.46Å; K208-S212 PolarHBondContact O-N 2.87Å; K208-E215 IonicContact NZ-OE1 3.92Å
209Q98.9Very high98.9Very high53 Ų5338.9 Ų38.925%0.24821%0.209CC..Hα-helixtrans-61.6-41.2175.4-71-179.4-90.300112.3G205 Y206 A207 G213 I293G205-Q209 WeakPolarHBondContact O-CG 3.48Å; G205-Q209 PolarHBondContact O-N 3.37Å; Y206-Q209 PolarHBondContact O-N 3.02Å; A207-Q209 VanDerWaalsContact C-N 3.31Å; A207-Q209 PolarHBondContact O-N 3.05Å; Q209-G213 PolarHBondContact O-N 2.96Å; Q209-I293 HydrophobicContact CB-CD1 4.24Å
210I98.9Very high98.9Very high3 Ų339 Ų392%0.01521%0.211CC..Hα-helixtrans-70.3-42.9176-59.3-56.4000111.3L166 L169 L170 L173 Y206 A207 K208 S212 G213 I214 M290 I293L166-I210 HydrophobicContact CB-CG2 4.37Å; L166-I210 HydrophobicContact CD2-CG2 4.48Å; L169-I210 HydrophobicContact CD2-CD1 3.92Å; L169-I210 HydrophobicContact CD2-CG1 4.19Å; L169-I210 HydrophobicContact CG-CG1 4.42Å; L170-I210 HydrophobicContact CB-CG2 3.93Å; L173-I210 HydrophobicContact CD1-CG1 3.79Å; Y206-I210 PolarHBondContact O-N 3.19Å; A207-I210 PolarHBondContact O-N 3.08Å; K208-I210 VanDerWaalsContact C-N 3.35Å; K208-I210 PolarHBondContact O-N 3.08Å; I210-S212 PolarHBondContact O-N 2.93Å; I210-G213 WeakPolarHBondContact O-CA 3.37Å; I210-G213 PolarHBondContact O-N 3.46Å; I210-I214 HydrophobicContact CG2-CD1 4.36Å; I210-I214 PolarHBondContact O-N 3.27Å; I210-M290 HydrophobicContact CD1-CG 4Å; I210-I293 HydrophobicContact CD1-CD1 3.76Å; I210-I293 HydrophobicContact CG1-CD1 3.93Å
211E98.9Very high98.9Very high70 Ų7039.5 Ų39.533%0.32721%0.212SC..Hα-helixtrans-56.6-50.2175.5-177.5-179.6-121.600111.3L170 A207 K208 G213 I214 E215L170-E211 HydrophobicContact CD1-CB 4.12Å; L170-E211 HydrophobicContact CD2-CB 4.15Å; A207-E211 PolarHBondContact O-N 3.21Å; K208-E211 HydrophobicContact CD-CB 4.5Å; K208-E211 WeakPolarHBondContact CD-OE2 3.36Å; K208-E211 WeakPolarHBondContact CE-OE2 3.4Å; K208-E211 IonicContact NZ-OE2 3.6Å; K208-E211 PolarHBondContact NZ-OE2 3.28Å; K208-E211 PolarHBondContact O-N 3.13Å; E211-G213 PolarHBondContact O-N 2.88Å; E211-I214 WeakPolarHBondContact O-CB 3.49Å; E211-I214 PolarHBondContact O-N 2.98Å; E211-I214 VanDerWaalsContact O-N 3.07Å; E211-E215 PolarHBondContact O-N 3.31Å
212S98.9Very high98.9Very high20 Ų2038.9 Ų38.914%0.1421%0.214CC..Hα-helixtrans-69.4-21.2175.6-70.10000113.3K208 I210 E215 R216K208-S212 WeakPolarHBondContact CE-OG 3.46Å; K208-S212 PolarHBondContact O-N 2.87Å; I210-S212 PolarHBondContact O-N 2.93Å; S212-E215 WeakPolarHBondContact CA-OE2 3.06Å; S212-E215 PolarHBondContact OG-OE2 3.45Å; S212-R216 WeakPolarHBondContact O-CG 3.25Å; S212-R216 PolarHBondContact O-N 3.04Å; S212-R216 VanDerWaalsContact O-N 3.1Å; S212-R216 PolarHBondContact O-NH1 3.03Å; S212-R216 VanDerWaalsContact O-NH1 3.08Å
213G98.9Very high98.8Very high1 Ų141.1 Ų41.11%0.0123%0.225CC..Hα-helixtrans-63.9-45.4166.600000112Q209 I210 E211 R216 I217Q209-G213 PolarHBondContact O-N 2.96Å; I210-G213 WeakPolarHBondContact O-CA 3.37Å; I210-G213 PolarHBondContact O-N 3.46Å; E211-G213 PolarHBondContact O-N 2.88Å; G213-R216 PolarHBondContact O-N 2.91Å; G213-I217 PolarHBondContact O-N 3.38Å; G213-I217 VanDerWaalsContact O-N 3.08Å
214I98.9Very high98.8Very high17 Ų1741.1 Ų41.19%0.08723%0.225CC..Hα-helixtrans-62.4-43.2175.3-68.5164.3000111L163 L166 K167 L170 I210 E211 R216 I217 N218L163-I214 HydrophobicContact CD2-CG1 4.44Å; L163-I214 HydrophobicContact CD2-CG2 3.88Å; L166-I214 HydrophobicContact CB-CD1 3.98Å; L166-I214 HydrophobicContact CB-CG1 3.83Å; L166-I214 HydrophobicContact CD1-CG1 4.15Å; K167-I214 HydrophobicContact CG-CD1 4.04Å; L170-I214 HydrophobicContact CD2-CD1 4.07Å; I210-I214 HydrophobicContact CG2-CD1 4.36Å; I210-I214 PolarHBondContact O-N 3.27Å; E211-I214 WeakPolarHBondContact O-CB 3.49Å; E211-I214 PolarHBondContact O-N 2.98Å; E211-I214 VanDerWaalsContact O-N 3.07Å; I214-R216 VanDerWaalsContact C-N 3.34Å; I214-R216 PolarHBondContact O-N 3.48Å; I214-I217 VanDerWaalsContact O-CG2 3.31Å; I214-I217 WeakPolarHBondContact O-CG2 3.44Å; I214-I217 PolarHBondContact O-N 2.81Å; I214-N218 WeakPolarHBondContact CG2-ND2 3.36Å; I214-N218 WeakPolarHBondContact O-CB 3.24Å; I214-N218 PolarHBondContact O-N 3.01Å; I214-N218 VanDerWaalsContact O-N 3.07Å; I214-N218 PolarHBondContact O-ND2 2.78Å; I214-N218 VanDerWaalsContact O-ND2 3.09Å
215E98.9Very high98.8Very high98 Ų9839.5 Ų39.546%0.45821%0.209SC..Hα-helixtrans-57.8-46.3174.8-68.1164.8177.900111.3K208 E211 S212 N218 A219K208-E215 IonicContact NZ-OE1 3.92Å; E211-E215 PolarHBondContact O-N 3.31Å; S212-E215 WeakPolarHBondContact CA-OE2 3.06Å; S212-E215 PolarHBondContact OG-OE2 3.45Å; E215-N218 PolarHBondContact O-N 3.35Å; E215-A219 PolarHBondContact O-N 3.31Å
216R98.9Very high98.8Very high107 Ų10739.5 Ų39.540%0.40420%0.201SC..Hα-helixtrans-62.6-46.2-180-74.4172.6-169.8106.8-4.3113S212 G213 I214 N218 A219 A282S212-R216 WeakPolarHBondContact O-CG 3.25Å; S212-R216 PolarHBondContact O-N 3.04Å; S212-R216 VanDerWaalsContact O-N 3.1Å; S212-R216 PolarHBondContact O-NH1 3.03Å; S212-R216 VanDerWaalsContact O-NH1 3.08Å; G213-R216 PolarHBondContact O-N 2.91Å; I214-R216 VanDerWaalsContact C-N 3.34Å; I214-R216 PolarHBondContact O-N 3.48Å; R216-N218 VanDerWaalsContact C-N 3.35Å; R216-A219 WeakPolarHBondContact O-CB 3.49Å; R216-A219 PolarHBondContact O-N 2.89Å; R216-A282 HydrophobicContact CB-CB 4.3Å
217I98.8Very high98.8Very high0 Ų039.5 Ų39.50%020%0.201CC..Hα-helixtrans-67.2-38.8179.6-16767000111.1I158 L162 L163 G213 I214 A219 T220 V279 A282 L283 I286I158-I217 HydrophobicContact CD1-CD1 3.98Å; I158-I217 HydrophobicContact CD1-CG1 4.14Å; I158-I217 HydrophobicContact CG1-CG1 4.37Å; I158-I217 HydrophobicContact CG2-CG1 3.94Å; L162-I217 HydrophobicContact CD2-CD1 4.5Å; L162-I217 HydrophobicContact CD2-CG1 4.07Å; L163-I217 HydrophobicContact CD2-CG2 3.62Å; G213-I217 PolarHBondContact O-N 3.38Å; G213-I217 VanDerWaalsContact O-N 3.08Å; I214-I217 VanDerWaalsContact O-CG2 3.31Å; I214-I217 WeakPolarHBondContact O-CG2 3.44Å; I214-I217 PolarHBondContact O-N 2.81Å; I217-A219 VanDerWaalsContact C-N 3.25Å; I217-A219 PolarHBondContact O-N 2.76Å; I217-T220 PolarHBondContact O-N 2.95Å; I217-T220 VanDerWaalsContact O-N 3.1Å; I217-T220 PolarHBondContact O-OG1 3.1Å; I217-V279 HydrophobicContact CD1-CG1 4.15Å; I217-A282 HydrophobicContact CB-CB 4.48Å; I217-A282 HydrophobicContact CD1-CB 3.98Å; I217-L283 HydrophobicContact CD1-CD2 3.99Å; I217-L283 HydrophobicContact CD1-CG 4.33Å; I217-I286 HydrophobicContact CB-CD1 4.35Å
218N98.8Very high98.8Very high64 Ų6439.4 Ų39.434%0.34220%0.2SC..Hα-helixtrans-61.9-33.5175.9-77.1-34.6000112.6L163 I214 E215 R216 T220 L221L163-N218 WeakPolarHBondContact CD1-OD1 3.4Å; I214-N218 WeakPolarHBondContact CG2-ND2 3.36Å; I214-N218 WeakPolarHBondContact O-CB 3.24Å; I214-N218 PolarHBondContact O-N 3.01Å; I214-N218 VanDerWaalsContact O-N 3.07Å; I214-N218 PolarHBondContact O-ND2 2.78Å; I214-N218 VanDerWaalsContact O-ND2 3.09Å; E215-N218 PolarHBondContact O-N 3.35Å; R216-N218 VanDerWaalsContact C-N 3.35Å; N218-T220 PolarHBondContact O-N 3.07Å; N218-L221 HydrophobicContact CB-CD1 4.48Å; N218-L221 WeakPolarHBondContact O-CB 3.23Å; N218-L221 PolarHBondContact O-N 3.22Å; N218-L221 WeakPolarHBondContact OD1-CD1 3.21Å
219A98.8Very high98.8Very high63 Ų6334.9 Ų34.952%0.52118%0.18SC..Hα-helixtrans-63.6-22.617700000113.4E215 R216 I217 P222E215-A219 PolarHBondContact O-N 3.31Å; R216-A219 WeakPolarHBondContact O-CB 3.49Å; R216-A219 PolarHBondContact O-N 2.89Å; I217-A219 VanDerWaalsContact C-N 3.25Å; I217-A219 PolarHBondContact O-N 2.76Å; A219-P222 WeakPolarHBondContact O-CD 3.49Å
220T98.8Very high98.8Very high4 Ų432.7 Ų32.73%0.02517%0.172CC..Hα-helixtrans-84.7-19.3178.472.20000113.5I217 N218 P222 H223 L224 E278 V279 A282I217-T220 PolarHBondContact O-N 2.95Å; I217-T220 VanDerWaalsContact O-N 3.1Å; I217-T220 PolarHBondContact O-OG1 3.1Å; N218-T220 PolarHBondContact O-N 3.07Å; T220-P222 VanDerWaalsContact C-CD 3.47Å; T220-H223 PolarHBondContact O-N 2.73Å; T220-L224 PolarHBondContact O-N 2.84Å; T220-E278 HydrophobicContact CG2-CG 3.89Å; T220-V279 WeakPolarHBondContact OG1-CG2 3.17Å; T220-A282 HydrophobicContact CG2-CB 4.06Å
221L98.8Very high98.8Very high16 Ų1632.5 Ų32.58%0.08417%0.171CC..Hα-helixtrans-60-39.3-173.6-67.2177.4000114.3I158 N218 H223 L224 Y225I158-L221 HydrophobicContact CB-CD2 4.41Å; I158-L221 HydrophobicContact CD1-CD2 4.2Å; I158-L221 HydrophobicContact CG2-CD2 3.94Å; N218-L221 HydrophobicContact CB-CD1 4.48Å; N218-L221 WeakPolarHBondContact O-CB 3.23Å; N218-L221 PolarHBondContact O-N 3.22Å; N218-L221 WeakPolarHBondContact OD1-CD1 3.21Å; L221-H223 VanDerWaalsContact C-N 3.29Å; L221-H223 PolarHBondContact O-N 3.05Å; L221-L224 HydrophobicContact CD2-CD2 4.23Å; L221-L224 PolarHBondContact O-N 3.39Å; L221-L224 VanDerWaalsContact O-N 3.08Å; L221-Y225 HydrophobicContact CB-CD2 4.33Å; L221-Y225 HydrophobicContact CB-CE2 3.65Å; L221-Y225 WeakPolarHBondContact O-CD2 3.35Å; L221-Y225 VanDerWaalsContact O-CG 3.3Å; L221-Y225 PolarHBondContact O-N 3.15Å
222P98.7Very high98.7Very high68 Ų6829.5 Ų29.544%0.44216%0.157SC..Hα-helixtrans-55.2-39.8178.8-28.437.1000114.3A219 T220A219-P222 WeakPolarHBondContact O-CD 3.49Å; T220-P222 VanDerWaalsContact C-CD 3.47Å
223H98.5Very high98.7Very high81 Ų8130.9 Ų30.938%0.37517%0.17SC..Hα-helixtrans-74.6-36.3176.3-56.2144.7000111.4T220 L221 Y225 E226 T275 E278T220-H223 PolarHBondContact O-N 2.73Å; L221-H223 VanDerWaalsContact C-N 3.29Å; L221-H223 PolarHBondContact O-N 3.05Å; H223-Y225 PolarHBondContact O-N 3Å; H223-E226 WeakPolarHBondContact O-CB 3.41Å; H223-E226 PolarHBondContact O-N 3.09Å; H223-E226 VanDerWaalsContact O-N 3.11Å; H223-T275 HydrophobicContact CB-CG2 3.81Å; H223-E278 IonicContact CE1-OE2 3.58Å; H223-E278 IonicContact CG-OE2 2.78Å; H223-E278 IonicContact ND1-OE1 2.71Å; H223-E278 IonicContact ND1-OE2 3.49Å; H223-E278 PolarHBondContact ND1-OE2 3.09Å
224L98.3Very high98.7Very high0 Ų033.7 Ų33.70%019%0.187CC..Hα-helixtrans-65.1-28.4177.6-166.463.7000112.9H151 T154 A155 I158 T220 L221 E226 T275 M276 V279H151-L224 HydrophobicContact CB-CD1 4.25Å; H151-L224 WeakPolarHBondContact CB-O 3.36Å; H151-L224 PolarHBondContact ND1-O 2.94Å; T154-L224 HydrophobicContact CG2-CD1 4.06Å; T154-L224 HydrophobicContact CG2-CD2 3.74Å; A155-L224 HydrophobicContact CB-CD2 3.74Å; A155-L224 HydrophobicContact CB-CG 4.1Å; I158-L224 HydrophobicContact CD1-CD2 3.79Å; T220-L224 PolarHBondContact O-N 2.84Å; L221-L224 HydrophobicContact CD2-CD2 4.23Å; L221-L224 PolarHBondContact O-N 3.39Å; L221-L224 VanDerWaalsContact O-N 3.08Å; L224-E226 PolarHBondContact O-N 3.41Å; L224-T275 HydrophobicContact CB-CG2 4.04Å; L224-T275 HydrophobicContact CD1-CG2 3.95Å; L224-M276 HydrophobicContact CD1-SD 4.06Å; L224-V279 HydrophobicContact CD1-CG2 4.35Å; L224-V279 HydrophobicContact CD2-CG2 4.32Å
225Y98.9Very high98.6Very high27 Ų2733.2 Ų33.211%0.10619%0.186CC..THydrogen-bonded Turntrans-73.1-6.5175.4-65.1-44.1000114.3A155 L221 H223 L258 P259 F260 K261A155-Y225 HydrophobicContact CB-CD1 4.44Å; A155-Y225 HydrophobicContact CB-CE1 4.07Å; L221-Y225 HydrophobicContact CB-CD2 4.33Å; L221-Y225 HydrophobicContact CB-CE2 3.65Å; L221-Y225 WeakPolarHBondContact O-CD2 3.35Å; L221-Y225 VanDerWaalsContact O-CG 3.3Å; L221-Y225 PolarHBondContact O-N 3.15Å; H223-Y225 PolarHBondContact O-N 3Å; Y225-L258 HydrophobicContact CE1-CB 3.98Å; Y225-L258 HydrophobicContact CE1-CD1 4.49Å; Y225-P259 HydrophobicContact CD1-CG 4.39Å; Y225-P259 HydrophobicContact CD2-CG 3.63Å; Y225-P259 HydrophobicContact CE1-CG 4.28Å; Y225-P259 HydrophobicContact CE2-CG 3.47Å; Y225-P259 VanDerWaalsContact CE2-CG 3.47Å; Y225-P259 HydrophobicContact CG-CG 4.11Å; Y225-F260 AromaticContact CD1-CD1 3.94Å; Y225-F260 HydrophobicContact CD1-CD1 3.94Å; Y225-F260 AromaticContact CD1-CE1 3.89Å; Y225-F260 HydrophobicContact CD1-CE1 3.89Å; Y225-F260 HydrophobicContact CD1-CG 4.36Å; Y225-F260 HydrophobicContact CD1-CZ 4.28Å; Y225-F260 WeakPolarHBondContact O-CA 3.23Å; Y225-K261 PolarHBondContact O-N 3.43Å
226E98.9Very high98.6Very high34 Ų3432.8 Ų32.816%0.15919%0.19CC..EExtended strand (participates in β ladder)trans-85.8118.7177.8-67.9-178.1-177.200110.9H151 H223 L224 K261 A263 P264H151-E226 PolarHBondContact CE1-O 3.18Å; H151-E226 PolarHBondContact ND1-O 3.28Å; H223-E226 WeakPolarHBondContact O-CB 3.41Å; H223-E226 PolarHBondContact O-N 3.09Å; H223-E226 VanDerWaalsContact O-N 3.11Å; L224-E226 PolarHBondContact O-N 3.41Å; E226-K261 WeakPolarHBondContact CA-O 3.49Å; E226-K261 HydrophobicContact CG-CD 4.32Å; E226-K261 VanDerWaalsContact CG-CE 3.46Å; E226-K261 HydrophobicContact CG-CG 4.1Å; E226-K261 VanDerWaalsContact OE1-CE 3.26Å; E226-K261 WeakPolarHBondContact OE1-CE 3.31Å; E226-K261 IonicContact OE1-NZ 2.65Å; E226-K261 PolarHBondContact OE1-NZ 3Å; E226-A263 HydrophobicContact CB-CB 4.01Å; E226-P264 WeakPolarHBondContact OE2-CD 3.21Å
227L98.9Very high98.6Very high1 Ų128.7 Ų28.71%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-103.2134.6-173.6-59.6-177.1000112.4T148 H151 I152 L229 A249 I252 F260 K261 A263T148-L227 HydrophobicContact CG2-CB 4.18Å; T148-L227 HydrophobicContact CG2-CD1 4.06Å; T148-L227 HydrophobicContact CG2-CD2 4.07Å; T148-L227 HydrophobicContact CG2-CG 4.32Å; H151-L227 HydrophobicContact CB-CD2 3.8Å; I152-L227 HydrophobicContact CG1-CD2 4.15Å; L227-L229 VanDerWaalsContact C-N 3.28Å; L227-L229 PolarHBondContact O-N 2.89Å; L227-A249 HydrophobicContact CD1-CB 4.35Å; L227-I252 HydrophobicContact CD1-CB 4.31Å; L227-I252 HydrophobicContact CD1-CD1 3.71Å; L227-I252 HydrophobicContact CD1-CG2 4.05Å; L227-F260 HydrophobicContact CD1-CB 3.92Å; L227-F260 HydrophobicContact CD1-CD1 4.01Å; L227-F260 HydrophobicContact CD1-CG 4.14Å; L227-F260 HydrophobicContact CD2-CD1 3.63Å; L227-F260 HydrophobicContact CD2-CE1 4Å; L227-F260 HydrophobicContact CG-CB 4.36Å; L227-F260 HydrophobicContact CG-CD1 3.91Å; L227-F260 HydrophobicContact CG-CG 4.47Å; L227-K261 PolarHBondContact N-O 2.82Å; L227-A263 WeakPolarHBondContact O-CB 3.43Å; L227-A263 PolarHBondContact O-N 3.11Å
228A98.8Very high98.5Very high3 Ų334.2 Ų34.23%0.02521%0.21CC..  trans-71.6-18.8178.600000113.9P147 G230 G231 K266 A269 L270P147-A228 HydrophobicContact CB-CB 4.02Å; P147-A228 HydrophobicContact CG-CB 3.72Å; A228-G230 PolarHBondContact O-N 3.41Å; A228-G231 PolarHBondContact O-N 3.4Å; A228-K266 WeakPolarHBondContact O-CD 3.36Å; A228-A269 HydrophobicContact CB-CB 3.98Å; A228-L270 HydrophobicContact CB-CD2 3.98Å
229L98.6Very high98.3Very high2 Ų238 Ų381%0.0123%0.23CC..THydrogen-bonded Turntrans-50.3131.7-176.4-165.864000112.3L54 Q140 T145 T148 L227 F244 A245 I252 K266L54-L229 HydrophobicContact CG-CD2 4.44Å; Q140-L229 HydrophobicContact CG-CD1 4.14Å; T145-L229 HydrophobicContact CG2-CD1 4.24Å; T148-L229 HydrophobicContact CG2-CB 4.06Å; T148-L229 WeakPolarHBondContact OG1-CB 3.44Å; T148-L229 PolarHBondContact OG1-N 3.07Å; L227-L229 VanDerWaalsContact C-N 3.28Å; L227-L229 PolarHBondContact O-N 2.89Å; L229-F244 HydrophobicContact CD1-CE1 4.15Å; L229-F244 HydrophobicContact CD2-CE1 4.29Å; L229-F244 HydrophobicContact CD2-CZ 4.38Å; L229-F244 HydrophobicContact CG-CE1 3.88Å; L229-F244 HydrophobicContact CG-CZ 4.4Å; L229-A245 WeakPolarHBondContact O-CB 3.5Å; L229-I252 HydrophobicContact CD2-CD1 4.23Å; L229-K266 VanDerWaalsContact O-CE 3.31Å; L229-K266 WeakPolarHBondContact O-CE 3.42Å
230G98.5Very high98.3Very high7 Ų736.7 Ų36.77%0.07222%0.215CC..THydrogen-bonded Turntrans91.8-6.1-173.500000113.9D144 A228 T232 G237D144-G230 WeakPolarHBondContact OD2-CA 3.39Å; D144-G230 PolarHBondContact OD2-N 3.29Å; A228-G230 PolarHBondContact O-N 3.41Å; G230-T232 VanDerWaalsContact C-N 3.25Å; G230-G237 VanDerWaalsContact O-CA 3.29Å; G230-G237 WeakPolarHBondContact O-CA 3.41Å
231G98.5Very high98.1Very high0 Ų038.7 Ų38.70%022%0.223CC..  trans-70.1-21.7168.300000113.2D144 A228 G235 T236 G237D144-G231 PolarHBondContact OD2-N 3.48Å; A228-G231 PolarHBondContact O-N 3.4Å; G231-G235 CarbonylContact O-C 3.22Å; G231-G235 VanDerWaalsContact O-C 3.22Å; G231-G235 WeakPolarHBondContact O-CA 3.39Å; G231-G235 PolarHBondContact O-N 3.29Å; G231-T236 PolarHBondContact O-N 2.83Å; G231-G237 PolarHBondContact O-N 2.93Å
232T98.3Very high98Very high7 Ų748 Ų484%0.04326%0.263CS..THydrogen-bonded Turntrans59.1-129.9178.968.30000113.3S141 D144 G230 G237 L238 T240S141-T232 VanDerWaalsContact CB-CA 3.45Å; S141-T232 VanDerWaalsContact CB-O 3.23Å; S141-T232 WeakPolarHBondContact CB-O 3.31Å; S141-T232 PolarHBondContact OG-O 3.46Å; S141-T232 VanDerWaalsContact OG-O 3.06Å; D144-T232 WeakPolarHBondContact OD2-CA 3.21Å; D144-T232 PolarHBondContact OD2-N 2.92Å; G230-T232 VanDerWaalsContact C-N 3.25Å; T232-G237 WeakPolarHBondContact OG1-CA 3.47Å; T232-G237 PolarHBondContact OG1-N 3.15Å; T232-L238 VanDerWaalsContact CB-O 3.28Å; T232-L238 WeakPolarHBondContact CB-O 3.47Å; T232-L238 VanDerWaalsContact CG2-O 3.3Å; T232-L238 WeakPolarHBondContact CG2-O 3.18Å; T232-L238 PolarHBondContact OG1-N 2.82Å; T232-L238 PolarHBondContact OG1-O 3.47Å; T232-T240 HydrophobicContact CG2-CG2 3.62Å
233A98Very high97.9Very high48 Ų4845.6 Ų45.640%0.39725%0.251SS..THydrogen-bonded Turntrans-73.6-44.2-171.700000113.1N143N143-A233 PolarHBondContact ND2-O 2.82Å
234V98.4Very high97.9Very high61 Ų6141.8 Ų41.837%0.3723%0.233SC..THydrogen-bonded Turntrans-138.312.2-168-63.40000113.6T236 F267 E359V234-T236 HydrophobicContact CG2-CG2 4.1Å; V234-F267 VanDerWaalsContact O-CD1 3.27Å; V234-F267 WeakPolarHBondContact O-CD1 3.31Å; V234-F267 WeakPolarHBondContact O-CE1 3.4Å; V234-E359 HydrophobicContact CB-CB 4.04Å; V234-E359 HydrophobicContact CB-CG 4.07Å; V234-E359 HydrophobicContact CG1-CB 4.18Å; V234-E359 HydrophobicContact CG1-CG 4.41Å
235G98.6Very high97.9Very high6 Ų642.3 Ų42.36%0.06224%0.238CC..SBendtrans100.4-11.1176.800000115.1G231 G237 K266 L270G231-G235 CarbonylContact O-C 3.22Å; G231-G235 VanDerWaalsContact O-C 3.22Å; G231-G235 WeakPolarHBondContact O-CA 3.39Å; G231-G235 PolarHBondContact O-N 3.29Å; G235-G237 PolarHBondContact O-N 3.45Å; G235-K266 WeakPolarHBondContact O-CB 3.46Å; G235-L270 VanDerWaalsContact N-CD1 3.3Å
236T98.4Very high97.9Very high90 Ų9046.1 Ų46.155%0.55226%0.256SS*.SBendtrans-79.2-17-175.656.70000114.9G231 V234 L238 F267G231-T236 PolarHBondContact O-N 2.83Å; V234-T236 HydrophobicContact CG2-CG2 4.1Å; T236-L238 VanDerWaalsContact C-N 3.34Å; T236-L238 PolarHBondContact OG1-N 3.42Å; T236-F267 HydrophobicContact CG2-CE1 3.95Å; T236-F267 HydrophobicContact CG2-CZ 4.15Å
237G98.1Very high97.9Very high20 Ų2048.7 Ų48.721%0.20627%0.267CS..  trans76.116.9-171.300000114.8G230 G231 T232 G235 N239 T240G230-G237 VanDerWaalsContact O-CA 3.29Å; G230-G237 WeakPolarHBondContact O-CA 3.41Å; G231-G237 PolarHBondContact O-N 2.93Å; T232-G237 WeakPolarHBondContact OG1-CA 3.47Å; T232-G237 PolarHBondContact OG1-N 3.15Å; G235-G237 PolarHBondContact O-N 3.45Å; G237-N239 PolarHBondContact O-N 3Å; G237-T240 VanDerWaalsContact O-CG2 3.25Å; G237-T240 WeakPolarHBondContact O-CG2 3.47Å; G237-T240 PolarHBondContact O-N 3.41Å
238L97.5Very high97.9Very high116 Ų11648.6 Ų48.661%0.60727%0.267SS*.THydrogen-bonded Turntrans-60.2135.2173.9-176.866.3000110.9T232 T236 T240T232-L238 VanDerWaalsContact CB-O 3.28Å; T232-L238 WeakPolarHBondContact CB-O 3.47Å; T232-L238 VanDerWaalsContact CG2-O 3.3Å; T232-L238 WeakPolarHBondContact CG2-O 3.18Å; T232-L238 PolarHBondContact OG1-N 2.82Å; T232-L238 PolarHBondContact OG1-O 3.47Å; T236-L238 VanDerWaalsContact C-N 3.34Å; T236-L238 PolarHBondContact OG1-N 3.42Å; L238-T240 PolarHBondContact O-N 3.35Å
239N95Very high97.9Very high145 Ų14548.7 Ų48.778%0.77527%0.267SS*.THydrogen-bonded Turntrans67.813.2-177.5-53.6-30.7000115.6G237G237-N239 PolarHBondContact O-N 3Å
240T97Very high97.9Very high34 Ų3451.3 Ų51.321%0.20929%0.289CS..SBendtrans-109.5-175.1156.6-163.10000110A139 T232 G237 L238 F244A139-T240 WeakPolarHBondContact O-CB 3.45Å; A139-T240 PolarHBondContact O-OG1 3.45Å; T232-T240 HydrophobicContact CG2-CG2 3.62Å; G237-T240 VanDerWaalsContact O-CG2 3.25Å; G237-T240 WeakPolarHBondContact O-CG2 3.47Å; G237-T240 PolarHBondContact O-N 3.41Å; L238-T240 PolarHBondContact O-N 3.35Å; T240-F244 WeakPolarHBondContact OG1-CB 3.36Å; T240-F244 WeakPolarHBondContact OG1-CD1 3.21Å; T240-F244 WeakPolarHBondContact OG1-CG 3.38Å
241Y96.4Very high97.9Very high46 Ų4652.4 Ų52.418%0.1829%0.292CS..  trans-120.2151.6178.958-95.2000112.5V61 N62 K65 A139 G243 F244V61-Y241 WeakPolarHBondContact CG1-OH 3.41Å; V61-Y241 PolarHBondContact O-OH 2.98Å; N62-Y241 VanDerWaalsContact OD1-CE1 3.3Å; N62-Y241 WeakPolarHBondContact OD1-CE1 3.45Å; N62-Y241 PolarHBondContact OD1-OH 3Å; K65-Y241 HydrophobicContact CB-CD1 4.23Å; K65-Y241 HydrophobicContact CB-CE1 3.75Å; K65-Y241 HydrophobicContact CB-CE2 4.41Å; K65-Y241 HydrophobicContact CD-CD2 4.17Å; K65-Y241 HydrophobicContact CD-CE2 4.19Å; K65-Y241 HydrophobicContact CD-CG 4.43Å; K65-Y241 HydrophobicContact CG-CD1 3.88Å; K65-Y241 HydrophobicContact CG-CD2 3.7Å; K65-Y241 HydrophobicContact CG-CE1 3.54Å; K65-Y241 HydrophobicContact CG-CE2 3.34Å; K65-Y241 HydrophobicContact CG-CG 3.94Å; A139-Y241 HydrophobicContact CB-CD1 4.06Å; A139-Y241 HydrophobicContact CB-CE1 3.69Å; Y241-G243 PolarHBondContact O-N 3.3Å; Y241-F244 HydrophobicContact CD1-CB 4.38Å; Y241-F244 HydrophobicContact CD2-CB 3.85Å; Y241-F244 HydrophobicContact CE1-CB 4.18Å; Y241-F244 AromaticContact CE1-CD2 3.92Å; Y241-F244 HydrophobicContact CE1-CD2 3.92Å; Y241-F244 HydrophobicContact CE1-CG 4.34Å; Y241-F244 HydrophobicContact CE2-CB 3.63Å; Y241-F244 HydrophobicContact CE2-CD2 4.23Å; Y241-F244 HydrophobicContact CE2-CG 4.42Å; Y241-F244 HydrophobicContact CG-CB 4.24Å; Y241-F244 AromaticContact CZ-CD2 3.61Å; Y241-F244 VanDerWaalsContact O-CB 3.27Å; Y241-F244 WeakPolarHBondContact O-CB 3.46Å; Y241-F244 PolarHBondContact O-N 3.21Å
242K96.3Very high97.9Very high211 Ų21152.4 Ų52.492%0.91729%0.292SS*.THydrogen-bonded Turntrans-55.3126.9177.2-173.1175.1-178.1176.50110.8
243G96.9Very high98Very high19 Ų1953 Ų5320%0.19630%0.298CS..THydrogen-bonded Turntrans93.2-9.9-177.800000115Y241 E246 K247Y241-G243 PolarHBondContact O-N 3.3Å; G243-E246 WeakPolarHBondContact CA-OE2 3.44Å; G243-K247 VanDerWaalsContact O-CB 3.25Å; G243-K247 WeakPolarHBondContact O-CB 3.45Å; G243-K247 WeakPolarHBondContact O-CG 3.46Å; G243-K247 PolarHBondContact O-N 2.77Å
244F98.3Very high98Very high0 Ų057.8 Ų57.80%031%0.31CS..Hα-helixtrans-61.6-44.9177.9176.6-107.2000111.9A58 V61 A139 Q140 L229 T240 Y241 S248A58-F244 HydrophobicContact CB-CE2 4.28Å; A58-F244 HydrophobicContact CB-CZ 4.13Å; V61-F244 HydrophobicContact CG1-CD2 4.03Å; V61-F244 HydrophobicContact CG1-CE2 4.49Å; A139-F244 HydrophobicContact CB-CD1 4.4Å; A139-F244 HydrophobicContact CB-CD2 3.92Å; A139-F244 HydrophobicContact CB-CE1 4.34Å; A139-F244 HydrophobicContact CB-CE2 3.85Å; A139-F244 HydrophobicContact CB-CG 4.2Å; A139-F244 HydrophobicContact CB-CZ 4.08Å; A139-F244 VanDerWaalsContact O-CE1 3.24Å; A139-F244 WeakPolarHBondContact O-CE1 3.34Å; Q140-F244 HydrophobicContact CG-CE1 4.19Å; Q140-F244 HydrophobicContact CG-CZ 3.79Å; L229-F244 HydrophobicContact CD1-CE1 4.15Å; L229-F244 HydrophobicContact CD2-CE1 4.29Å; L229-F244 HydrophobicContact CD2-CZ 4.38Å; L229-F244 HydrophobicContact CG-CE1 3.88Å; L229-F244 HydrophobicContact CG-CZ 4.4Å; T240-F244 WeakPolarHBondContact OG1-CB 3.36Å; T240-F244 WeakPolarHBondContact OG1-CD1 3.21Å; T240-F244 WeakPolarHBondContact OG1-CG 3.38Å; Y241-F244 HydrophobicContact CD1-CB 4.38Å; Y241-F244 HydrophobicContact CD2-CB 3.85Å; Y241-F244 HydrophobicContact CE1-CB 4.18Å; Y241-F244 AromaticContact CE1-CD2 3.92Å; Y241-F244 HydrophobicContact CE1-CD2 3.92Å; Y241-F244 HydrophobicContact CE1-CG 4.34Å; Y241-F244 HydrophobicContact CE2-CB 3.63Å; Y241-F244 HydrophobicContact CE2-CD2 4.23Å; Y241-F244 HydrophobicContact CE2-CG 4.42Å; Y241-F244 HydrophobicContact CG-CB 4.24Å; Y241-F244 AromaticContact CZ-CD2 3.61Å; Y241-F244 VanDerWaalsContact O-CB 3.27Å; Y241-F244 WeakPolarHBondContact O-CB 3.46Å; Y241-F244 PolarHBondContact O-N 3.21Å; F244-S248 VanDerWaalsContact CE2-OG 3.3Å; F244-S248 WeakPolarHBondContact CE2-OG 3.39Å; F244-S248 WeakPolarHBondContact O-CB 3.23Å; F244-S248 PolarHBondContact O-N 3.12Å; F244-S248 PolarHBondContact O-OG 3.35Å
245A98.4Very high98Very high12 Ų1257.7 Ų57.710%0.09931%0.307CS..Hα-helixtrans-63.3-48.9-176.500000111.7L229 A249 T262L229-A245 WeakPolarHBondContact O-CB 3.5Å; A245-A249 WeakPolarHBondContact O-CB 3.21Å; A245-A249 PolarHBondContact O-N 2.88Å; A245-T262 WeakPolarHBondContact CB-OG1 3.22Å
246E98.6Very high98Very high106 Ų10658.7 Ų58.750%0.49531%0.312SS..Hα-helixtrans-66.4-46.7-179.4-61.879.5-178.600111.4G243 A249 A250 T262G243-E246 WeakPolarHBondContact CA-OE2 3.44Å; E246-A249 PolarHBondContact O-N 3.44Å; E246-A250 WeakPolarHBondContact O-CB 3.22Å; E246-A250 PolarHBondContact O-N 2.99Å; E246-T262 HydrophobicContact CG-CG2 4.11Å
247K98.5Very high98Very high88 Ų8857.8 Ų57.838%0.38332%0.32SS..Hα-helixtrans-67.5-41-179.1-71.5179.7176.8-170.30112.2V61 E64 G243 A250 E251V61-K247 HydrophobicContact CG1-CB 3.71Å; V61-K247 HydrophobicContact CG1-CD 4.34Å; V61-K247 HydrophobicContact CG2-CB 3.95Å; E64-K247 IonicContact OE2-NZ 3.97Å; E64-K247 PolarHBondContact OE2-NZ 3.4Å; G243-K247 VanDerWaalsContact O-CB 3.25Å; G243-K247 WeakPolarHBondContact O-CB 3.45Å; G243-K247 WeakPolarHBondContact O-CG 3.46Å; G243-K247 PolarHBondContact O-N 2.77Å; K247-A250 PolarHBondContact O-N 2.68Å; K247-E251 PolarHBondContact O-N 2.94Å
248S98.6Very high98Very high0 Ų057.5 Ų57.50%031%0.314CS..Hα-helixtrans-67.3-41.7178.5-580000111.1F244 A250 E251 I252F244-S248 VanDerWaalsContact CE2-OG 3.3Å; F244-S248 WeakPolarHBondContact CE2-OG 3.39Å; F244-S248 WeakPolarHBondContact O-CB 3.23Å; F244-S248 PolarHBondContact O-N 3.12Å; F244-S248 PolarHBondContact O-OG 3.35Å; S248-A250 VanDerWaalsContact C-N 3.35Å; S248-A250 PolarHBondContact O-N 2.91Å; S248-E251 PolarHBondContact O-N 3.12Å; S248-I252 WeakPolarHBondContact O-CB 3.27Å; S248-I252 WeakPolarHBondContact O-CD1 3.27Å; S248-I252 WeakPolarHBondContact O-CG1 3.46Å; S248-I252 PolarHBondContact O-N 3.47Å
249A98.8Very high98.1Very high4 Ų455.9 Ų55.93%0.03331%0.311CS..Hα-helixtrans-62-42174.300000112.1L227 A245 E246 I252 A253L227-A249 HydrophobicContact CD1-CB 4.35Å; A245-A249 WeakPolarHBondContact O-CB 3.21Å; A245-A249 PolarHBondContact O-N 2.88Å; E246-A249 PolarHBondContact O-N 3.44Å; A249-I252 PolarHBondContact O-N 3.47Å; A249-A253 WeakPolarHBondContact O-CB 3.27Å; A249-A253 PolarHBondContact O-N 3.38Å
250A98.7Very high98.3Very high58 Ų5849.4 Ų49.448%0.47928%0.276SS..Hα-helixtrans-64.2-40176.100000112.8E246 K247 S248 A253 K254E246-A250 WeakPolarHBondContact O-CB 3.22Å; E246-A250 PolarHBondContact O-N 2.99Å; K247-A250 PolarHBondContact O-N 2.68Å; S248-A250 VanDerWaalsContact C-N 3.35Å; S248-A250 PolarHBondContact O-N 2.91Å; A250-A253 WeakPolarHBondContact O-CB 3.29Å; A250-A253 PolarHBondContact O-N 3.02Å; A250-K254 WeakPolarHBondContact O-CB 3.37Å; A250-K254 PolarHBondContact O-N 3.11Å
251E98.7Very high98.4Very high29 Ų2952.5 Ų52.514%0.13629%0.286CS..Hα-helixtrans-69.5-38.3175.8-167.964.5-160.500111.2A57 I60 V61 K247 S248 A253 K254 L255A57-E251 HydrophobicContact CB-CB 4.05Å; A57-E251 HydrophobicContact CB-CG 4.1Å; I60-E251 HydrophobicContact CB-CG 4.35Å; I60-E251 HydrophobicContact CD1-CG 4.11Å; I60-E251 HydrophobicContact CG2-CG 4.17Å; V61-E251 HydrophobicContact CG2-CB 4.3Å; K247-E251 PolarHBondContact O-N 2.94Å; S248-E251 PolarHBondContact O-N 3.12Å; E251-A253 VanDerWaalsContact C-N 3.33Å; E251-A253 PolarHBondContact O-N 3.37Å; E251-K254 PolarHBondContact O-N 3.49Å; E251-K254 IonicContact OE1-NZ 3.47Å; E251-K254 PolarHBondContact OE1-NZ 2.85Å; E251-K254 IonicContact OE2-NZ 2.82Å; E251-K254 PolarHBondContact OE2-NZ 2.89Å; E251-L255 HydrophobicContact CG-CD1 4.24Å; E251-L255 HydrophobicContact CG-CG 4.43Å; E251-L255 WeakPolarHBondContact O-CB 3.35Å; E251-L255 VanDerWaalsContact O-CG 3.22Å; E251-L255 WeakPolarHBondContact O-CG 3.31Å; E251-L255 PolarHBondContact O-N 3.37Å
252I98.9Very high98.5Very high0 Ų051.8 Ų51.80%029%0.287CS..Hα-helixtrans-60.8-43.7172.3-68.8160.9000110.5I53 A57 T148 I152 L227 L229 S248 A249 K254 L255 T256 F260I53-I252 HydrophobicContact CG2-CG2 4.25Å; A57-I252 HydrophobicContact CB-CD1 4.26Å; A57-I252 HydrophobicContact CB-CG1 3.5Å; A57-I252 VanDerWaalsContact CB-CG1 3.5Å; T148-I252 HydrophobicContact CG2-CD1 4.33Å; I152-I252 HydrophobicContact CD1-CD1 4.07Å; I152-I252 HydrophobicContact CD1-CG1 4.42Å; I152-I252 HydrophobicContact CD1-CG2 3.75Å; I152-I252 HydrophobicContact CG1-CG2 3.96Å; L227-I252 HydrophobicContact CD1-CB 4.31Å; L227-I252 HydrophobicContact CD1-CD1 3.71Å; L227-I252 HydrophobicContact CD1-CG2 4.05Å; L229-I252 HydrophobicContact CD2-CD1 4.23Å; S248-I252 WeakPolarHBondContact O-CB 3.27Å; S248-I252 WeakPolarHBondContact O-CD1 3.27Å; S248-I252 WeakPolarHBondContact O-CG1 3.46Å; S248-I252 PolarHBondContact O-N 3.47Å; A249-I252 PolarHBondContact O-N 3.47Å; I252-K254 VanDerWaalsContact C-N 3.34Å; I252-K254 PolarHBondContact O-N 3.16Å; I252-L255 PolarHBondContact O-N 3.08Å; I252-T256 HydrophobicContact CG2-CG2 4.44Å; I252-T256 WeakPolarHBondContact O-CB 3.21Å; I252-T256 WeakPolarHBondContact O-CG2 3.47Å; I252-T256 PolarHBondContact O-N 3.2Å; I252-T256 PolarHBondContact O-OG1 3.05Å; I252-F260 HydrophobicContact CG2-CB 4.28Å; I252-F260 HydrophobicContact CG2-CD2 3.73Å; I252-F260 HydrophobicContact CG2-CE2 4.22Å; I252-F260 HydrophobicContact CG2-CG 4.03Å
253A98.9Very high98.6Very high20 Ų2041.9 Ų41.917%0.16524%0.244CC..Hα-helixtrans-59.4-45.2176.300000111.7A249 A250 E251 T256 G257 L258 F260A249-A253 WeakPolarHBondContact O-CB 3.27Å; A249-A253 PolarHBondContact O-N 3.38Å; A250-A253 WeakPolarHBondContact O-CB 3.29Å; A250-A253 PolarHBondContact O-N 3.02Å; E251-A253 VanDerWaalsContact C-N 3.33Å; E251-A253 PolarHBondContact O-N 3.37Å; A253-T256 PolarHBondContact O-N 3.01Å; A253-T256 PolarHBondContact O-OG1 2.87Å; A253-G257 WeakPolarHBondContact O-CA 3.38Å; A253-G257 PolarHBondContact O-N 3.39Å; A253-L258 WeakPolarHBondContact CA-O 3.36Å; A253-L258 WeakPolarHBondContact CB-O 3.45Å; A253-L258 PolarHBondContact O-N 3.48Å; A253-F260 HydrophobicContact CB-CB 4.12Å
254K98.7Very high98.7Very high148 Ų14846.3 Ų46.364%0.64327%0.269SS*.Hα-helixtrans-63.4-42.7175.7175.7-175.2158.7-145.40112.8A250 E251 I252 T256A250-K254 WeakPolarHBondContact O-CB 3.37Å; A250-K254 PolarHBondContact O-N 3.11Å; E251-K254 PolarHBondContact O-N 3.49Å; E251-K254 IonicContact OE1-NZ 3.47Å; E251-K254 PolarHBondContact OE1-NZ 2.85Å; E251-K254 IonicContact OE2-NZ 2.82Å; E251-K254 PolarHBondContact OE2-NZ 2.89Å; I252-K254 VanDerWaalsContact C-N 3.34Å; I252-K254 PolarHBondContact O-N 3.16Å; K254-T256 VanDerWaalsContact C-N 3.3Å; K254-T256 PolarHBondContact O-N 2.81Å
255L98.6Very high98.7Very high60 Ų6049.9 Ų49.931%0.31429%0.288SS..Hα-helixtrans-67.7-30.8-179-72.1171.5000112.7I53 K56 A57 E251 I252I53-L255 HydrophobicContact CG2-CB 4.34Å; I53-L255 HydrophobicContact CG2-CD1 4.36Å; K56-L255 HydrophobicContact CB-CD1 4.33Å; K56-L255 HydrophobicContact CD-CD1 4.14Å; K56-L255 HydrophobicContact CD-CD2 4.12Å; K56-L255 HydrophobicContact CG-CD1 4.02Å; A57-L255 HydrophobicContact CB-CD1 4.12Å; E251-L255 HydrophobicContact CG-CD1 4.24Å; E251-L255 HydrophobicContact CG-CG 4.43Å; E251-L255 WeakPolarHBondContact O-CB 3.35Å; E251-L255 VanDerWaalsContact O-CG 3.22Å; E251-L255 WeakPolarHBondContact O-CG 3.31Å; E251-L255 PolarHBondContact O-N 3.37Å; I252-L255 PolarHBondContact O-N 3.08Å
256T98.6Very high98.7Very high27 Ų2750.7 Ų50.717%0.16629%0.29CS..Hα-helixtrans-99.2-21.4-176.256.10000113.7I53 I156 I252 A253 K254 L258 F260I53-T256 HydrophobicContact CD1-CG2 4.08Å; I53-T256 HydrophobicContact CG2-CG2 3.96Å; I156-T256 HydrophobicContact CD1-CG2 4.11Å; I252-T256 HydrophobicContact CG2-CG2 4.44Å; I252-T256 WeakPolarHBondContact O-CB 3.21Å; I252-T256 WeakPolarHBondContact O-CG2 3.47Å; I252-T256 PolarHBondContact O-N 3.2Å; I252-T256 PolarHBondContact O-OG1 3.05Å; A253-T256 PolarHBondContact O-N 3.01Å; A253-T256 PolarHBondContact O-OG1 2.87Å; K254-T256 VanDerWaalsContact C-N 3.3Å; K254-T256 PolarHBondContact O-N 2.81Å; T256-L258 PolarHBondContact O-N 3.37Å; T256-L258 PolarHBondContact OG1-N 3.01Å; T256-F260 HydrophobicContact CG2-CE2 4.1Å; T256-F260 WeakPolarHBondContact OG1-CD2 3.21Å; T256-F260 WeakPolarHBondContact OG1-CE2 3.44Å
257G98.6Very high98.7Very high70 Ų7050.7 Ų50.772%0.72229%0.288SS*.SBendtrans73.16.9-168.700000113.8A253A253-G257 WeakPolarHBondContact O-CA 3.38Å; A253-G257 PolarHBondContact O-N 3.39Å
258L98.7Very high98.7Very high14 Ų1449.9 Ų49.97%0.07329%0.286CS..SBendtrans-103.6147.9179.7-62.8176000110.5A155 I156 D159 Y225 A253 T256 F260A155-L258 HydrophobicContact CB-CD1 4.27Å; I156-L258 HydrophobicContact CG1-CD1 4.02Å; D159-L258 HydrophobicContact CB-CD2 4.21Å; Y225-L258 HydrophobicContact CE1-CB 3.98Å; Y225-L258 HydrophobicContact CE1-CD1 4.49Å; A253-L258 WeakPolarHBondContact CA-O 3.36Å; A253-L258 WeakPolarHBondContact CB-O 3.45Å; A253-L258 PolarHBondContact O-N 3.48Å; T256-L258 PolarHBondContact O-N 3.37Å; T256-L258 PolarHBondContact OG1-N 3.01Å; L258-F260 HydrophobicContact CB-CD2 3.88Å; L258-F260 HydrophobicContact CB-CE2 3.63Å; L258-F260 HydrophobicContact CB-CZ 4.42Å; L258-F260 HydrophobicContact CD1-CE2 3.95Å; L258-F260 HydrophobicContact CD1-CZ 4.24Å; L258-F260 HydrophobicContact CG-CE2 4.39Å; L258-F260 PolarHBondContact O-N 2.59Å
259P98.7Very high98.7Very high83 Ų8350.4 Ų50.454%0.53929%0.29SS..  trans-80.950.6-169.535-38.5000113.6Y225Y225-P259 HydrophobicContact CD1-CG 4.39Å; Y225-P259 HydrophobicContact CD2-CG 3.63Å; Y225-P259 HydrophobicContact CE1-CG 4.28Å; Y225-P259 HydrophobicContact CE2-CG 3.47Å; Y225-P259 VanDerWaalsContact CE2-CG 3.47Å; Y225-P259 HydrophobicContact CG-CG 4.11Å
260F98.9Very high98.7Very high9 Ų950.2 Ų50.24%0.03929%0.288CS..  trans-60142.7175.9-69.8-75000112.2I152 A155 Y225 L227 I252 A253 T256 L258I152-F260 HydrophobicContact CB-CZ 4.3Å; I152-F260 HydrophobicContact CG1-CE1 4.17Å; I152-F260 HydrophobicContact CG1-CZ 4.09Å; A155-F260 HydrophobicContact CB-CE1 4.06Å; A155-F260 HydrophobicContact CB-CZ 3.71Å; Y225-F260 AromaticContact CD1-CD1 3.94Å; Y225-F260 HydrophobicContact CD1-CD1 3.94Å; Y225-F260 AromaticContact CD1-CE1 3.89Å; Y225-F260 HydrophobicContact CD1-CE1 3.89Å; Y225-F260 HydrophobicContact CD1-CG 4.36Å; Y225-F260 HydrophobicContact CD1-CZ 4.28Å; Y225-F260 WeakPolarHBondContact O-CA 3.23Å; L227-F260 HydrophobicContact CD1-CB 3.92Å; L227-F260 HydrophobicContact CD1-CD1 4.01Å; L227-F260 HydrophobicContact CD1-CG 4.14Å; L227-F260 HydrophobicContact CD2-CD1 3.63Å; L227-F260 HydrophobicContact CD2-CE1 4Å; L227-F260 HydrophobicContact CG-CB 4.36Å; L227-F260 HydrophobicContact CG-CD1 3.91Å; L227-F260 HydrophobicContact CG-CG 4.47Å; I252-F260 HydrophobicContact CG2-CB 4.28Å; I252-F260 HydrophobicContact CG2-CD2 3.73Å; I252-F260 HydrophobicContact CG2-CE2 4.22Å; I252-F260 HydrophobicContact CG2-CG 4.03Å; A253-F260 HydrophobicContact CB-CB 4.12Å; T256-F260 HydrophobicContact CG2-CE2 4.1Å; T256-F260 WeakPolarHBondContact OG1-CD2 3.21Å; T256-F260 WeakPolarHBondContact OG1-CE2 3.44Å; L258-F260 HydrophobicContact CB-CD2 3.88Å; L258-F260 HydrophobicContact CB-CE2 3.63Å; L258-F260 HydrophobicContact CB-CZ 4.42Å; L258-F260 HydrophobicContact CD1-CE2 3.95Å; L258-F260 HydrophobicContact CD1-CZ 4.24Å; L258-F260 HydrophobicContact CG-CE2 4.39Å; L258-F260 PolarHBondContact O-N 2.59Å
261K98.8Very high98.7Very high99 Ų9948.2 Ų48.243%0.4327%0.272SS..EExtended strand (participates in β ladder)trans-142.516117856.9178.2175152.30109.7Y225 E226 L227Y225-K261 PolarHBondContact O-N 3.43Å; E226-K261 WeakPolarHBondContact CA-O 3.49Å; E226-K261 HydrophobicContact CG-CD 4.32Å; E226-K261 VanDerWaalsContact CG-CE 3.46Å; E226-K261 HydrophobicContact CG-CG 4.1Å; E226-K261 VanDerWaalsContact OE1-CE 3.26Å; E226-K261 WeakPolarHBondContact OE1-CE 3.31Å; E226-K261 IonicContact OE1-NZ 2.65Å; E226-K261 PolarHBondContact OE1-NZ 3Å; L227-K261 PolarHBondContact N-O 2.82Å
262T98.8Very high98.7Very high31 Ų3148.7 Ų48.719%0.1928%0.277CS..EExtended strand (participates in β ladder)trans-72.5139.5175.2-160.40000110A245 E246 K266A245-T262 WeakPolarHBondContact CB-OG1 3.22Å; E246-T262 HydrophobicContact CG-CG2 4.11Å; T262-K266 VanDerWaalsContact OG1-CE 3.29Å; T262-K266 WeakPolarHBondContact OG1-CE 3.39Å; T262-K266 PolarHBondContact OG1-NZ 3.08Å
263A98.8Very high98.7Very high2 Ų248.9 Ų48.92%0.01728%0.278CS..  trans-61.9133.5178.900000110.6E226 L227 N265 K266 A269E226-A263 HydrophobicContact CB-CB 4.01Å; L227-A263 WeakPolarHBondContact O-CB 3.43Å; L227-A263 PolarHBondContact O-N 3.11Å; A263-N265 PolarHBondContact O-N 2.7Å; A263-K266 HydrophobicContact CB-CD 4.42Å; A263-K266 PolarHBondContact O-NZ 3.36Å; A263-A269 HydrophobicContact CB-CB 3.81Å
264P98.5Very high98.7Very high112 Ų11251.9 Ų51.973%0.72729%0.291SS*.SBendtrans-66.4-28.4-178.127.7-33.4000112E226E226-P264 WeakPolarHBondContact OE2-CD 3.21Å
265N98.8Very high98.7Very high76 Ų7645.6 Ų45.641%0.40627%0.265SS..  trans-124.3111.8174.6-170.3-39.1000110A263 F267 E268 A269A263-N265 PolarHBondContact O-N 2.7Å; N265-F267 WeakPolarHBondContact OD1-CA 3.36Å; N265-F267 VanDerWaalsContact OD1-CB 3.32Å; N265-F267 WeakPolarHBondContact OD1-CB 3.46Å; N265-F267 WeakPolarHBondContact OD1-CD2 3.41Å; N265-F267 PolarHBondContact OD1-N 3.49Å; N265-E268 HydrophobicContact CB-CB 4.22Å; N265-E268 PolarHBondContact OD1-N 3.29Å; N265-E268 VanDerWaalsContact OD1-N 3.12Å; N265-A269 PolarHBondContact O-N 3.46Å
266K98.7Very high98.8Very high29 Ų2942.7 Ų42.713%0.12625%0.25CS..THydrogen-bonded Turntrans-78.5-19.5-179.9-66.1-60.7-173.6-590113.7A228 L229 G235 T262 A263 L270A228-K266 WeakPolarHBondContact O-CD 3.36Å; L229-K266 VanDerWaalsContact O-CE 3.31Å; L229-K266 WeakPolarHBondContact O-CE 3.42Å; G235-K266 WeakPolarHBondContact O-CB 3.46Å; T262-K266 VanDerWaalsContact OG1-CE 3.29Å; T262-K266 WeakPolarHBondContact OG1-CE 3.39Å; T262-K266 PolarHBondContact OG1-NZ 3.08Å; A263-K266 HydrophobicContact CB-CD 4.42Å; A263-K266 PolarHBondContact O-NZ 3.36Å; K266-L270 WeakPolarHBondContact O-CB 3.37Å; K266-L270 WeakPolarHBondContact O-CG 3.29Å; K266-L270 PolarHBondContact O-N 2.82Å
267F98.8Very high98.8Very high106 Ų10643.1 Ų43.147%0.46525%0.252SS..THydrogen-bonded Turntrans-71-47.8175.9-53.2-78.1000109.4V234 T236 N265 L270 A271V234-F267 VanDerWaalsContact O-CD1 3.27Å; V234-F267 WeakPolarHBondContact O-CD1 3.31Å; V234-F267 WeakPolarHBondContact O-CE1 3.4Å; T236-F267 HydrophobicContact CG2-CE1 3.95Å; T236-F267 HydrophobicContact CG2-CZ 4.15Å; N265-F267 WeakPolarHBondContact OD1-CA 3.36Å; N265-F267 VanDerWaalsContact OD1-CB 3.32Å; N265-F267 WeakPolarHBondContact OD1-CB 3.46Å; N265-F267 WeakPolarHBondContact OD1-CD2 3.41Å; N265-F267 PolarHBondContact OD1-N 3.49Å; F267-L270 PolarHBondContact O-N 3.35Å; F267-A271 WeakPolarHBondContact O-CB 3.44Å; F267-A271 PolarHBondContact O-N 2.88Å
268E98.8Very high98.8Very high70 Ų7043.5 Ų43.533%0.32724%0.236SC..Hα-helixtrans-58-53.3174.1-175.7-80.5157.300110.8N265 L270 A271 T272N265-E268 HydrophobicContact CB-CB 4.22Å; N265-E268 PolarHBondContact OD1-N 3.29Å; N265-E268 VanDerWaalsContact OD1-N 3.12Å; E268-L270 PolarHBondContact O-N 3.29Å; E268-A271 PolarHBondContact O-N 2.69Å; E268-T272 PolarHBondContact O-N 2.95Å; E268-T272 PolarHBondContact O-OG1 3.1Å; E268-T272 VanDerWaalsContact O-OG1 3.04Å; E268-T272 PolarHBondContact OE1-OG1 3.16Å
269A98.7Very high98.8Very high11 Ų1142.9 Ų42.99%0.09123%0.232CC..Hα-helixtrans-61.3-13.1-178.200000115.7A228 A263 N265A228-A269 HydrophobicContact CB-CB 3.98Å; A263-A269 HydrophobicContact CB-CB 3.81Å; N265-A269 PolarHBondContact O-N 3.46Å
270L98.8Very high98.8Very high0 Ų038.9 Ų38.90%021%0.206CC..Hα-helixtrans-105.8-43.6175.6-66.7-178.7000112.5N143 D144 P147 A228 G235 K266 F267 E268 L360 N361 K364N143-L270 WeakPolarHBondContact O-CD2 3.24Å; D144-L270 HydrophobicContact CB-CD2 4.06Å; P147-L270 HydrophobicContact CG-CD2 4.04Å; A228-L270 HydrophobicContact CB-CD2 3.98Å; G235-L270 VanDerWaalsContact N-CD1 3.3Å; K266-L270 WeakPolarHBondContact O-CB 3.37Å; K266-L270 WeakPolarHBondContact O-CG 3.29Å; K266-L270 PolarHBondContact O-N 2.82Å; F267-L270 PolarHBondContact O-N 3.35Å; E268-L270 PolarHBondContact O-N 3.29Å; L270-L360 HydrophobicContact CB-CD1 4.15Å; L270-L360 WeakPolarHBondContact O-CA 3.39Å; L270-N361 PolarHBondContact O-N 2.94Å; L270-K364 PolarHBondContact O-NZ 2.98Å
271A98.8Very high98.8Very high17 Ų1739.6 Ų39.614%0.1422%0.216CC..Hα-helixtrans-78-25.2-174.100000113.3F267 E268 F358 N361F267-A271 WeakPolarHBondContact O-CB 3.44Å; F267-A271 PolarHBondContact O-N 2.88Å; E268-A271 PolarHBondContact O-N 2.69Å; A271-F358 VanDerWaalsContact CB-O 3.27Å; A271-F358 WeakPolarHBondContact CB-O 3.4Å; A271-N361 VanDerWaalsContact O-CB 3.3Å; A271-N361 WeakPolarHBondContact O-CB 3.19Å; A271-N361 PolarHBondContact O-N 3.01Å
272T98.8Very high98.8Very high38 Ų3835.3 Ų35.323%0.23320%0.199CC..  trans-130.4172.4177.764.50000110.8E268E268-T272 PolarHBondContact O-N 2.95Å; E268-T272 PolarHBondContact O-OG1 3.1Å; E268-T272 VanDerWaalsContact O-OG1 3.04Å; E268-T272 PolarHBondContact OE1-OG1 3.16Å
273H98.8Very high98.8Very high4 Ų433.8 Ų33.82%0.01919%0.19CC..  trans-142.642.9175.8-81.7-55.1000109.6T275 M276 V277 K364 M367H273-T275 VanDerWaalsContact C-N 3.26Å; H273-T275 PolarHBondContact O-N 2.96Å; H273-M276 HydrophobicContact CB-CB 4.35Å; H273-M276 HydrophobicContact CB-CG 4.25Å; H273-M276 WeakPolarHBondContact O-CB 3.2Å; H273-M276 PolarHBondContact O-N 2.95Å; H273-V277 PolarHBondContact O-N 3.49Å; H273-K364 VanDerWaalsContact NE2-CD 3.34Å; H273-K364 WeakPolarHBondContact NE2-CD 3.1Å; H273-K364 VanDerWaalsContact NE2-CG 3.27Å; H273-K364 WeakPolarHBondContact NE2-CG 3Å; H273-K364 PolarHBondContact NE2-NZ 3.22Å; H273-M367 HydrophobicContact CB-CE 3.42Å; H273-M367 VanDerWaalsContact CB-CE 3.42Å; H273-M367 HydrophobicContact CB-SD 3.78Å
274D98.9Very high98.8Very high84 Ų8435.7 Ų35.745%0.44920%0.2SC..Hα-helixtrans-63.9-35.8-171.9-64.4-11.3000111M276 V277 E278D274-M276 VanDerWaalsContact C-N 3.26Å; D274-M276 PolarHBondContact O-N 3.47Å; D274-V277 CarbonylContact O-C 3.47Å; D274-V277 WeakPolarHBondContact O-CA 3.29Å; D274-V277 WeakPolarHBondContact O-CB 3.29Å; D274-V277 PolarHBondContact O-N 2.99Å; D274-E278 WeakPolarHBondContact O-CB 3.45Å; D274-E278 PolarHBondContact O-N 2.9Å
275T98.8Very high98.9Very high15 Ų1532.7 Ų32.79%0.09218%0.18CC..Hα-helixtrans-53.3-41.3169.9-58.10000112.5H223 L224 H273 E278 V279H223-T275 HydrophobicContact CB-CG2 3.81Å; L224-T275 HydrophobicContact CB-CG2 4.04Å; L224-T275 HydrophobicContact CD1-CG2 3.95Å; H273-T275 VanDerWaalsContact C-N 3.26Å; H273-T275 PolarHBondContact O-N 2.96Å; T275-E278 PolarHBondContact O-N 3.42Å; T275-V279 HydrophobicContact CG2-CG2 4.47Å; T275-V279 WeakPolarHBondContact O-CB 3.4Å; T275-V279 WeakPolarHBondContact O-CG2 3.48Å; T275-V279 PolarHBondContact O-N 2.96Å
276M98.9Very high98.9Very high0 Ų029.2 Ų29.20%016%0.161CC..Hα-helixtrans-70.9-33.9178.5-59.8-60.3-60.200111.5M150 T154 L224 H273 D274 H280 M367 V368 V371M150-M276 HydrophobicContact CE-CE 4.44Å; M150-M276 HydrophobicContact CE-CG 3.96Å; M150-M276 HydrophobicContact CE-SD 4.47Å; T154-M276 HydrophobicContact CG2-CE 4.25Å; T154-M276 WeakPolarHBondContact OG1-CE 3.33Å; L224-M276 HydrophobicContact CD1-SD 4.06Å; H273-M276 HydrophobicContact CB-CB 4.35Å; H273-M276 HydrophobicContact CB-CG 4.25Å; H273-M276 WeakPolarHBondContact O-CB 3.2Å; H273-M276 PolarHBondContact O-N 2.95Å; D274-M276 VanDerWaalsContact C-N 3.26Å; D274-M276 PolarHBondContact O-N 3.47Å; M276-H280 WeakPolarHBondContact O-CB 3.38Å; M276-H280 PolarHBondContact O-N 2.76Å; M276-H280 VanDerWaalsContact O-N 3.08Å; M276-M367 HydrophobicContact CB-CE 4.02Å; M276-V368 HydrophobicContact CE-CB 4.45Å; M276-V368 HydrophobicContact CE-CG2 4.29Å; M276-V371 HydrophobicContact CE-CB 3.78Å; M276-V371 HydrophobicContact CE-CG1 3.75Å; M276-V371 HydrophobicContact CE-CG2 3.63Å
277V98.9Very high98.9Very high35 Ų3527.9 Ų27.921%0.21216%0.155CC..Hα-helixtrans-67.4-42.6173.3-177.40000110.8H273 D274 H280 G281 V349 M367H273-V277 PolarHBondContact O-N 3.49Å; D274-V277 CarbonylContact O-C 3.47Å; D274-V277 WeakPolarHBondContact O-CA 3.29Å; D274-V277 WeakPolarHBondContact O-CB 3.29Å; D274-V277 PolarHBondContact O-N 2.99Å; V277-H280 PolarHBondContact O-N 2.94Å; V277-G281 PolarHBondContact O-N 3.37Å; V277-V349 HydrophobicContact CG2-CG1 4.17Å; V277-M367 HydrophobicContact CG2-CE 3.9Å
278E98.9Very high98.9Very high79 Ų7925.9 Ų25.937%0.36915%0.154SC..Hα-helixtrans-63.5-51177.5-174.8-172.4-167.900111.5T220 H223 D274 T275 H280 G281 A282T220-E278 HydrophobicContact CG2-CG 3.89Å; H223-E278 IonicContact CE1-OE2 3.58Å; H223-E278 IonicContact CG-OE2 2.78Å; H223-E278 IonicContact ND1-OE1 2.71Å; H223-E278 IonicContact ND1-OE2 3.49Å; H223-E278 PolarHBondContact ND1-OE2 3.09Å; D274-E278 WeakPolarHBondContact O-CB 3.45Å; D274-E278 PolarHBondContact O-N 2.9Å; T275-E278 PolarHBondContact O-N 3.42Å; E278-H280 VanDerWaalsContact C-N 3.29Å; E278-H280 PolarHBondContact O-N 3.38Å; E278-G281 WeakPolarHBondContact O-CA 3.35Å; E278-G281 PolarHBondContact O-N 3.48Å; E278-A282 PolarHBondContact O-N 2.98Å
279V98.9Very high98.9Very high0 Ų023.1 Ų23.10%014%0.142CC..Hα-helixtrans-53.3-49.8174.9166.90000109.9T154 I158 I217 T220 L224 T275 G281 A282 L283 V371T154-V279 HydrophobicContact CG2-CG1 4.1Å; I158-V279 HydrophobicContact CD1-CG1 3.98Å; I217-V279 HydrophobicContact CD1-CG1 4.15Å; T220-V279 WeakPolarHBondContact OG1-CG2 3.17Å; L224-V279 HydrophobicContact CD1-CG2 4.35Å; L224-V279 HydrophobicContact CD2-CG2 4.32Å; T275-V279 HydrophobicContact CG2-CG2 4.47Å; T275-V279 WeakPolarHBondContact O-CB 3.4Å; T275-V279 WeakPolarHBondContact O-CG2 3.48Å; T275-V279 PolarHBondContact O-N 2.96Å; V279-G281 VanDerWaalsContact C-N 3.29Å; V279-G281 PolarHBondContact O-N 3.09Å; V279-A282 WeakPolarHBondContact O-CB 2.94Å; V279-A282 PolarHBondContact O-N 3.01Å; V279-L283 HydrophobicContact CG1-CD1 4.44Å; V279-L283 WeakPolarHBondContact O-CG 3.46Å; V279-L283 PolarHBondContact O-N 2.74Å; V279-L283 VanDerWaalsContact O-N 3.13Å; V279-V371 HydrophobicContact CG1-CG1 4.05Å
280H98.9Very high98.9Very high0 Ų023 Ų230%014%0.139CC..Hα-helixtrans-65.8-33.7179.6-157.6-58.6000111.9M276 V277 E278 A282 L283 N284 V342 N345 Q346 V349 V371 S374M276-H280 WeakPolarHBondContact O-CB 3.38Å; M276-H280 PolarHBondContact O-N 2.76Å; M276-H280 VanDerWaalsContact O-N 3.08Å; V277-H280 PolarHBondContact O-N 2.94Å; E278-H280 VanDerWaalsContact C-N 3.29Å; E278-H280 PolarHBondContact O-N 3.38Å; H280-A282 VanDerWaalsContact C-N 3.3Å; H280-A282 PolarHBondContact O-N 2.92Å; H280-L283 CarbonylContact O-C 3.57Å; H280-L283 WeakPolarHBondContact O-CA 3.27Å; H280-L283 WeakPolarHBondContact O-CB 3.1Å; H280-L283 PolarHBondContact O-N 3.11Å; H280-L283 VanDerWaalsContact O-N 3.09Å; H280-N284 WeakPolarHBondContact O-CB 3.37Å; H280-N284 PolarHBondContact O-N 3.34Å; H280-V342 PolarHBondContact CE1-O 3.05Å; H280-N345 WeakPolarHBondContact NE2-CB 3.2Å; H280-Q346 WeakPolarHBondContact CE1-CA 3.15Å; H280-Q346 PolarHBondContact CE1-N 3.49Å; H280-Q346 WeakPolarHBondContact ND1-CA 3.14Å; H280-Q346 PolarHBondContact ND1-OE1 3.49Å; H280-Q346 PolarHBondContact O-OE1 3.48Å; H280-V349 HydrophobicContact CB-CB 4.37Å; H280-V349 HydrophobicContact CB-CG1 4.07Å; H280-V349 HydrophobicContact CB-CG2 4.42Å; H280-V371 HydrophobicContact CB-CG2 4.2Å; H280-S374 WeakPolarHBondContact NE2-CB 3.32Å; H280-S374 PolarHBondContact NE2-OG 3.29Å
281G98.9Very high98.9Very high24 Ų2425.6 Ų25.625%0.24715%0.152CC..Hα-helixtrans-59.9-38.3174.300000113V277 E278 V279 N284 T285V277-G281 PolarHBondContact O-N 3.37Å; E278-G281 WeakPolarHBondContact O-CA 3.35Å; E278-G281 PolarHBondContact O-N 3.48Å; V279-G281 VanDerWaalsContact C-N 3.29Å; V279-G281 PolarHBondContact O-N 3.09Å; G281-N284 PolarHBondContact O-N 3.18Å; G281-T285 PolarHBondContact O-N 2.59Å; G281-T285 VanDerWaalsContact O-N 3.08Å; G281-T285 PolarHBondContact O-OG1 3.37Å; G281-T285 VanDerWaalsContact O-OG1 3.05Å
282A98.9Very high98.9Very high8 Ų829 Ų297%0.06616%0.164CC..Hα-helixtrans-65.6-44171.700000111.7R216 I217 T220 E278 V279 H280 N284 T285 I286R216-A282 HydrophobicContact CB-CB 4.3Å; I217-A282 HydrophobicContact CB-CB 4.48Å; I217-A282 HydrophobicContact CD1-CB 3.98Å; T220-A282 HydrophobicContact CG2-CB 4.06Å; E278-A282 PolarHBondContact O-N 2.98Å; V279-A282 WeakPolarHBondContact O-CB 2.94Å; V279-A282 PolarHBondContact O-N 3.01Å; H280-A282 VanDerWaalsContact C-N 3.3Å; H280-A282 PolarHBondContact O-N 2.92Å; A282-N284 VanDerWaalsContact C-N 3.31Å; A282-N284 PolarHBondContact O-N 2.84Å; A282-T285 PolarHBondContact O-N 2.99Å; A282-I286 WeakPolarHBondContact O-CG1 3.15Å; A282-I286 PolarHBondContact O-N 3.41Å
283L99Very high98.9Very high0 Ų027.3 Ų27.30%015%0.154CC..Hα-helixtrans-60-40.6174.5-59.8174.1000112L162 I217 V279 H280 T285 I286 A287 V342 I375 I378L162-L283 HydrophobicContact CD2-CD2 3.5Å; I217-L283 HydrophobicContact CD1-CD2 3.99Å; I217-L283 HydrophobicContact CD1-CG 4.33Å; V279-L283 HydrophobicContact CG1-CD1 4.44Å; V279-L283 WeakPolarHBondContact O-CG 3.46Å; V279-L283 PolarHBondContact O-N 2.74Å; V279-L283 VanDerWaalsContact O-N 3.13Å; H280-L283 CarbonylContact O-C 3.57Å; H280-L283 WeakPolarHBondContact O-CA 3.27Å; H280-L283 WeakPolarHBondContact O-CB 3.1Å; H280-L283 PolarHBondContact O-N 3.11Å; H280-L283 VanDerWaalsContact O-N 3.09Å; L283-T285 VanDerWaalsContact C-N 3.34Å; L283-T285 PolarHBondContact O-N 3.27Å; L283-I286 WeakPolarHBondContact O-CB 3.48Å; L283-I286 PolarHBondContact O-N 3.21Å; L283-A287 PolarHBondContact O-N 2.73Å; L283-V342 HydrophobicContact CB-CG1 4.34Å; L283-I375 HydrophobicContact CD1-CD1 4.45Å; L283-I375 HydrophobicContact CD1-CG1 3.63Å; L283-I375 HydrophobicContact CD2-CG1 4.13Å; L283-I378 HydrophobicContact CB-CD1 3.94Å; L283-I378 HydrophobicContact CD2-CD1 4.03Å
284N99Very high98.9Very high41 Ų4127.1 Ų27.122%0.21915%0.153CC..Hα-helixtrans-62-41.4176.2-178.967.6000111.5H280 G281 A282 I286 A287 C288 M343 Q346H280-N284 WeakPolarHBondContact O-CB 3.37Å; H280-N284 PolarHBondContact O-N 3.34Å; G281-N284 PolarHBondContact O-N 3.18Å; A282-N284 VanDerWaalsContact C-N 3.31Å; A282-N284 PolarHBondContact O-N 2.84Å; N284-I286 VanDerWaalsContact C-N 3.34Å; N284-I286 PolarHBondContact O-N 3.29Å; N284-A287 WeakPolarHBondContact O-CB 3.43Å; N284-A287 PolarHBondContact O-N 3.02Å; N284-C288 PolarHBondContact O-N 3.43Å; N284-C288 PolarHBondContact O-SG 2.74Å; N284-C288 VanDerWaalsContact O-SG 3.42Å; N284-M343 WeakPolarHBondContact OD1-CG 3.49Å; N284-Q346 HydrophobicContact CB-CB 4.23Å; N284-Q346 HydrophobicContact CB-CG 4.19Å
285T98.9Very high98.9Very high50 Ų5026.1 Ų26.131%0.30715%0.147SC..Hα-helixtrans-65.4-38.1175.4-56.10000112.1G281 A282 L283 C288 S289G281-T285 PolarHBondContact O-N 2.59Å; G281-T285 VanDerWaalsContact O-N 3.08Å; G281-T285 PolarHBondContact O-OG1 3.37Å; G281-T285 VanDerWaalsContact O-OG1 3.05Å; A282-T285 PolarHBondContact O-N 2.99Å; L283-T285 VanDerWaalsContact C-N 3.34Å; L283-T285 PolarHBondContact O-N 3.27Å; T285-C288 PolarHBondContact O-N 3.44Å; T285-S289 PolarHBondContact O-N 3.02Å; T285-S289 VanDerWaalsContact O-N 3.16Å; T285-S289 PolarHBondContact O-OG 3.43Å
286I98.9Very high98.9Very high3 Ų327.5 Ų27.52%0.01515%0.154CC..Hα-helixtrans-63.8-43.2173.4-67.1162.1000110.3L166 I217 A282 L283 N284 C288 S289 M290 I378L166-I286 HydrophobicContact CD1-CD1 4.05Å; L166-I286 HydrophobicContact CD2-CG2 4.14Å; I217-I286 HydrophobicContact CB-CD1 4.35Å; A282-I286 WeakPolarHBondContact O-CG1 3.15Å; A282-I286 PolarHBondContact O-N 3.41Å; L283-I286 WeakPolarHBondContact O-CB 3.48Å; L283-I286 PolarHBondContact O-N 3.21Å; N284-I286 VanDerWaalsContact C-N 3.34Å; N284-I286 PolarHBondContact O-N 3.29Å; I286-C288 PolarHBondContact O-N 3.33Å; I286-S289 WeakPolarHBondContact O-CB 3.27Å; I286-S289 PolarHBondContact O-N 2.83Å; I286-S289 VanDerWaalsContact O-N 3.11Å; I286-M290 HydrophobicContact CG2-CG 4.27Å; I286-M290 HydrophobicContact CG2-SD 3.93Å; I286-M290 WeakPolarHBondContact O-CG 3.34Å; I286-M290 PolarHBondContact O-N 3.03Å; I286-I378 HydrophobicContact CG2-CD1 4.49Å; I286-I378 HydrophobicContact CG2-CG2 3.99Å
287A98.9Very high98.9Very high1 Ų127.5 Ų27.51%0.00815%0.154CC..Hα-helixtrans-60.2-43.4176.600000112.4L283 N284 S289 M290 M291 A339 V342 M343L283-A287 PolarHBondContact O-N 2.73Å; N284-A287 WeakPolarHBondContact O-CB 3.43Å; N284-A287 PolarHBondContact O-N 3.02Å; A287-S289 VanDerWaalsContact C-N 3.29Å; A287-S289 PolarHBondContact O-N 2.8Å; A287-M290 PolarHBondContact O-N 3.39Å; A287-M291 VanDerWaalsContact O-CB 3.32Å; A287-M291 WeakPolarHBondContact O-CB 3.2Å; A287-M291 PolarHBondContact O-N 3.29Å; A287-A339 HydrophobicContact CB-CB 4.11Å; A287-A339 WeakPolarHBondContact O-CB 3.29Å; A287-V342 HydrophobicContact CB-CB 3.82Å; A287-V342 HydrophobicContact CB-CG1 3.73Å; A287-V342 HydrophobicContact CB-CG2 4.49Å; A287-M343 HydrophobicContact CB-CE 4.32Å
288C99Very high98.9Very high64 Ų6428.2 Ų28.243%0.43215%0.153SC..Hα-helixtrans-56.6-44172.3-68.50000112.1N284 T285 I286 K292 M343N284-C288 PolarHBondContact O-N 3.43Å; N284-C288 PolarHBondContact O-SG 2.74Å; N284-C288 VanDerWaalsContact O-SG 3.42Å; T285-C288 PolarHBondContact O-N 3.44Å; I286-C288 PolarHBondContact O-N 3.33Å; C288-K292 PolarHBondContact O-N 3.34Å; C288-M343 HydrophobicContact CB-CE 4.42Å
289S98.9Very high98.9Very high12 Ų1230 Ų308%0.08416%0.16CC..Hα-helixtrans-65.4-47.5179.1-61.80000111.9T285 I286 A287 M291 K292 I293T285-S289 PolarHBondContact O-N 3.02Å; T285-S289 VanDerWaalsContact O-N 3.16Å; T285-S289 PolarHBondContact O-OG 3.43Å; I286-S289 WeakPolarHBondContact O-CB 3.27Å; I286-S289 PolarHBondContact O-N 2.83Å; I286-S289 VanDerWaalsContact O-N 3.11Å; A287-S289 VanDerWaalsContact C-N 3.29Å; A287-S289 PolarHBondContact O-N 2.8Å; S289-M291 VanDerWaalsContact C-N 3.34Å; S289-M291 PolarHBondContact O-N 2.8Å; S289-K292 PolarHBondContact O-N 3.4Å; S289-I293 WeakPolarHBondContact O-CD1 3.35Å; S289-I293 VanDerWaalsContact O-CG1 3.24Å; S289-I293 WeakPolarHBondContact O-CG1 3.3Å; S289-I293 PolarHBondContact O-N 2.96Å
290M98.9Very high98.9Very high7 Ų730.3 Ų30.33%0.03416%0.161CC..Hα-helixtrans-65-36.7178.3-70.9-177.369.900112.4L166 L169 I210 I286 A287 I293 A294 V335 I378 A382L166-M290 HydrophobicContact CD2-SD 4.42Å; L169-M290 HydrophobicContact CD2-CE 4.25Å; I210-M290 HydrophobicContact CD1-CG 4Å; I286-M290 HydrophobicContact CG2-CG 4.27Å; I286-M290 HydrophobicContact CG2-SD 3.93Å; I286-M290 WeakPolarHBondContact O-CG 3.34Å; I286-M290 PolarHBondContact O-N 3.03Å; A287-M290 PolarHBondContact O-N 3.39Å; M290-I293 PolarHBondContact O-N 3.25Å; M290-A294 VanDerWaalsContact O-CB 3.24Å; M290-A294 WeakPolarHBondContact O-CB 3.38Å; M290-A294 PolarHBondContact O-N 3.19Å; M290-V335 HydrophobicContact CB-CG1 4Å; M290-V335 HydrophobicContact CE-CG1 3.98Å; M290-I378 HydrophobicContact SD-CG2 3.85Å; M290-A382 HydrophobicContact CE-CB 3.96Å
291M98.9Very high98.9Very high55 Ų5531.2 Ų31.227%0.27117%0.171SC..Hα-helixtrans-56.9-50.7173.1-17968.683.300111A287 S289 N295 T336 A339 A340A287-M291 VanDerWaalsContact O-CB 3.32Å; A287-M291 WeakPolarHBondContact O-CB 3.2Å; A287-M291 PolarHBondContact O-N 3.29Å; S289-M291 VanDerWaalsContact C-N 3.34Å; S289-M291 PolarHBondContact O-N 2.8Å; M291-N295 VanDerWaalsContact O-CB 3.28Å; M291-N295 WeakPolarHBondContact O-CB 3.37Å; M291-N295 PolarHBondContact O-N 2.96Å; M291-T336 VanDerWaalsContact CE-O 3.25Å; M291-T336 WeakPolarHBondContact CE-O 3.46Å; M291-T336 HydrophobicContact SD-CG2 3.51Å; M291-T336 VanDerWaalsContact SD-CG2 3.51Å; M291-A339 HydrophobicContact CB-CB 3.97Å; M291-A339 HydrophobicContact CE-CB 3.76Å; M291-A339 HydrophobicContact SD-CB 4.46Å; M291-A340 HydrophobicContact CE-CB 4.46Å
292K98.9Very high98.9Very high89 Ų8931.9 Ų31.939%0.38717%0.172SC..Hα-helixtrans-60-50.8178.7-169.4-81.4-171-178.30111.3Y206 C288 S289 A294 N295 D296Y206-K292 HydrophobicContact CE1-CD 4.37Å; C288-K292 PolarHBondContact O-N 3.34Å; S289-K292 PolarHBondContact O-N 3.4Å; K292-A294 PolarHBondContact O-N 2.94Å; K292-N295 PolarHBondContact O-N 3.47Å; K292-D296 WeakPolarHBondContact CD-OD2 3.44Å; K292-D296 WeakPolarHBondContact CE-OD2 3.34Å; K292-D296 IonicContact NZ-OD2 2.72Å; K292-D296 PolarHBondContact NZ-OD2 3.15Å; K292-D296 PolarHBondContact O-N 3.25Å
293I98.9Very high98.8Very high3 Ų333.5 Ų33.52%0.01519%0.189CC..Hα-helixtrans-60.2-49.2-178.3-65164.2000111.1L173 Y206 Q209 I210 S289 M290 N295 D296 I297 F385L173-I293 HydrophobicContact CD2-CG2 4.5Å; Y206-I293 HydrophobicContact CD1-CB 4.41Å; Y206-I293 HydrophobicContact CD1-CG1 3.73Å; Y206-I293 HydrophobicContact CD1-CG2 4.44Å; Y206-I293 HydrophobicContact CD2-CG2 4.34Å; Y206-I293 HydrophobicContact CG-CB 4.49Å; Y206-I293 HydrophobicContact CG-CG1 3.95Å; Y206-I293 HydrophobicContact CG-CG2 4.06Å; Q209-I293 HydrophobicContact CB-CD1 4.24Å; I210-I293 HydrophobicContact CD1-CD1 3.76Å; I210-I293 HydrophobicContact CG1-CD1 3.93Å; S289-I293 WeakPolarHBondContact O-CD1 3.35Å; S289-I293 VanDerWaalsContact O-CG1 3.24Å; S289-I293 WeakPolarHBondContact O-CG1 3.3Å; S289-I293 PolarHBondContact O-N 2.96Å; M290-I293 PolarHBondContact O-N 3.25Å; I293-N295 VanDerWaalsContact C-N 3.33Å; I293-N295 PolarHBondContact O-N 2.7Å; I293-D296 PolarHBondContact O-N 3.32Å; I293-I297 HydrophobicContact CG2-CD1 3.93Å; I293-I297 WeakPolarHBondContact O-CG1 3.32Å; I293-I297 PolarHBondContact O-N 3.24Å; I293-F385 HydrophobicContact CG2-CE1 4.35Å
294A98.9Very high98.6Very high0 Ų036.9 Ų36.90%021%0.211CC..Hα-helixtrans-65.9-36.8-178.700000112M290 K292 R298 C332 V335 T336 F385M290-A294 VanDerWaalsContact O-CB 3.24Å; M290-A294 WeakPolarHBondContact O-CB 3.38Å; M290-A294 PolarHBondContact O-N 3.19Å; K292-A294 PolarHBondContact O-N 2.94Å; A294-R298 VanDerWaalsContact O-CB 3.28Å; A294-R298 WeakPolarHBondContact O-CB 3.49Å; A294-R298 PolarHBondContact O-N 3.09Å; A294-C332 HydrophobicContact CB-CB 4.33Å; A294-C332 PolarHBondContact O-SG 3.36Å; A294-C332 VanDerWaalsContact O-SG 3.4Å; A294-V335 HydrophobicContact CB-CB 3.94Å; A294-V335 HydrophobicContact CB-CG1 3.64Å; A294-T336 HydrophobicContact CB-CG2 3.92Å; A294-F385 HydrophobicContact CB-CZ 4.45Å
295N98.9Very high98.5Very high62 Ų6245.7 Ų45.733%0.33224%0.242SC..Hα-helixtrans-72.1-38.5178-159.953.3000112.4M291 K292 I293 R298 F299M291-N295 VanDerWaalsContact O-CB 3.28Å; M291-N295 WeakPolarHBondContact O-CB 3.37Å; M291-N295 PolarHBondContact O-N 2.96Å; K292-N295 PolarHBondContact O-N 3.47Å; I293-N295 VanDerWaalsContact C-N 3.33Å; I293-N295 PolarHBondContact O-N 2.7Å; N295-R298 WeakPolarHBondContact O-CB 3.44Å; N295-R298 PolarHBondContact O-N 2.83Å; N295-F299 WeakPolarHBondContact O-CD2 3.44Å; N295-F299 PolarHBondContact O-N 2.81Å
296D98.9Very high98.5Very high44 Ų4449.7 Ų49.724%0.23527%0.271CS..Hα-helixtrans-61.5-48.7173-792.7000110.7Y206 K292 I293 R298 F299 L300Y206-D296 HydrophobicContact CE1-CB 4.24Å; Y206-D296 WeakPolarHBondContact CE1-OD2 3.43Å; Y206-D296 VanDerWaalsContact OH-CB 3.24Å; Y206-D296 WeakPolarHBondContact OH-CB 3.32Å; Y206-D296 PolarHBondContact OH-OD2 3.11Å; Y206-D296 VanDerWaalsContact OH-OD2 3.13Å; K292-D296 WeakPolarHBondContact CD-OD2 3.44Å; K292-D296 WeakPolarHBondContact CE-OD2 3.34Å; K292-D296 IonicContact NZ-OD2 2.72Å; K292-D296 PolarHBondContact NZ-OD2 3.15Å; K292-D296 PolarHBondContact O-N 3.25Å; I293-D296 PolarHBondContact O-N 3.32Å; D296-R298 VanDerWaalsContact C-N 3.29Å; D296-R298 PolarHBondContact O-N 3.16Å; D296-F299 PolarHBondContact O-N 3.44Å; D296-F299 VanDerWaalsContact O-N 3.17Å; D296-L300 WeakPolarHBondContact O-CB 3.47Å; D296-L300 WeakPolarHBondContact O-CG 3.44Å; D296-L300 PolarHBondContact O-N 2.93Å
297I98.9Very high98.4Very high0 Ų050.5 Ų50.50%028%0.281CS..Hα-helixtrans-60.3-40.3177.9-70.9169.3000111.1F203 I293 G301 L313 F385 I393F203-I297 HydrophobicContact CZ-CG1 4.46Å; I293-I297 HydrophobicContact CG2-CD1 3.93Å; I293-I297 WeakPolarHBondContact O-CG1 3.32Å; I293-I297 PolarHBondContact O-N 3.24Å; I297-G301 PolarHBondContact O-N 2.82Å; I297-L313 HydrophobicContact CG2-CD1 4.37Å; I297-L313 HydrophobicContact CG2-CD2 3.75Å; I297-F385 HydrophobicContact CB-CZ 4.49Å; I297-F385 HydrophobicContact CD1-CE1 4.07Å; I297-F385 HydrophobicContact CD1-CZ 3.68Å; I297-F385 HydrophobicContact CG2-CZ 4.41Å; I297-I393 HydrophobicContact CD1-CD1 4.07Å; I297-I393 HydrophobicContact CG1-CD1 4.4Å; I297-I393 HydrophobicContact CG2-CD1 3.93Å
298R98.7Very high98.4Very high51 Ų5152.7 Ų52.719%0.19229%0.292CS..Hα-helixtrans-57.2-50.6173.5175.4-161.3-63.9-80.11.9111.7A294 N295 D296 G301 S302 P329 C332 E333 T336A294-R298 VanDerWaalsContact O-CB 3.28Å; A294-R298 WeakPolarHBondContact O-CB 3.49Å; A294-R298 PolarHBondContact O-N 3.09Å; N295-R298 WeakPolarHBondContact O-CB 3.44Å; N295-R298 PolarHBondContact O-N 2.83Å; D296-R298 VanDerWaalsContact C-N 3.29Å; D296-R298 PolarHBondContact O-N 3.16Å; R298-G301 PolarHBondContact O-N 3.39Å; R298-S302 PolarHBondContact O-N 2.94Å; R298-P329 HydrophobicContact CB-CB 4.44Å; R298-P329 HydrophobicContact CB-CG 4.33Å; R298-P329 HydrophobicContact CG-CB 4.3Å; R298-P329 HydrophobicContact CG-CG 3.67Å; R298-C332 HydrophobicContact CB-CB 4.01Å; R298-C332 PolarHBondContact NH2-O 3.29Å; R298-E333 IonicContact NH1-OE1 3.54Å; R298-E333 PolarHBondContact NH1-OE1 3.41Å; R298-E333 VanDerWaalsContact NH2-N 3.16Å; R298-T336 PolarHBondContact NH2-OG1 3.01Å; R298-T336 VanDerWaalsContact NH2-OG1 3.13Å
299F98.8Very high98.4Very high116 Ų11649.9 Ų49.951%0.50927%0.274SS..Hα-helixtrans-71.5-40-177.9-91.9-90.3000112.4N295 D296 G301 S302 L308N295-F299 WeakPolarHBondContact O-CD2 3.44Å; N295-F299 PolarHBondContact O-N 2.81Å; D296-F299 PolarHBondContact O-N 3.44Å; D296-F299 VanDerWaalsContact O-N 3.17Å; F299-G301 PolarHBondContact O-N 3.27Å; F299-S302 VanDerWaalsContact O-CB 3.23Å; F299-S302 WeakPolarHBondContact O-CB 3.46Å; F299-S302 PolarHBondContact O-N 3.39Å; F299-S302 PolarHBondContact O-OG 3.27Å; F299-L308 HydrophobicContact CB-CD1 4.38Å
300L98.8Very high98.4Very high6 Ų649.5 Ų49.53%0.03127%0.271CS..Hα-helixtrans-63.2-31.7175.1-67.9170.6000111.8E202 D296 L308 G309 E310 L311E202-L300 WeakPolarHBondContact OE2-CD1 3.36Å; D296-L300 WeakPolarHBondContact O-CB 3.47Å; D296-L300 WeakPolarHBondContact O-CG 3.44Å; D296-L300 PolarHBondContact O-N 2.93Å; L300-L308 HydrophobicContact CD2-CD1 4.24Å; L300-G309 CarbonylContact O-C 3.53Å; L300-G309 PolarHBondContact O-N 3.07Å; L300-E310 HydrophobicContact CD2-CB 4.21Å; L300-E310 HydrophobicContact CD2-CG 4.43Å; L300-E310 VanDerWaalsContact CD2-OE2 3.29Å; L300-E310 WeakPolarHBondContact CD2-OE2 3.3Å; L300-E310 PolarHBondContact O-N 3.33Å; L300-L311 HydrophobicContact CB-CB 4.38Å; L300-L311 HydrophobicContact CB-CD1 3.71Å; L300-L311 HydrophobicContact CB-CG 3.82Å; L300-L311 HydrophobicContact CD1-CD1 4.05Å; L300-L311 PolarHBondContact O-N 3.19Å
301G98.5Very high98.4Very high20 Ų2049.5 Ų49.521%0.20627%0.271CS..THydrogen-bonded Turntrans-82.8-1.4172.100000115.6I297 R298 F299 L311I297-G301 PolarHBondContact O-N 2.82Å; R298-G301 PolarHBondContact O-N 3.39Å; F299-G301 PolarHBondContact O-N 3.27Å; G301-L311 WeakPolarHBondContact CA-O 3.4Å
302S98.6Very high98.4Very high37 Ų3750.9 Ų50.926%0.25928%0.279SS..  trans-66.9134-17865.50000111.9R298 F299 G307 L308 G309R298-S302 PolarHBondContact O-N 2.94Å; F299-S302 VanDerWaalsContact O-CB 3.23Å; F299-S302 WeakPolarHBondContact O-CB 3.46Å; F299-S302 PolarHBondContact O-N 3.39Å; F299-S302 PolarHBondContact O-OG 3.27Å; S302-G307 CarbonylContact O-C 3.56Å; S302-G307 WeakPolarHBondContact OG-CA 3.34Å; S302-L308 PolarHBondContact O-N 2.91Å; S302-L308 PolarHBondContact OG-N 3.45Å; S302-L308 VanDerWaalsContact OG-N 3.07Å; S302-G309 VanDerWaalsContact O-CA 3.31Å; S302-G309 WeakPolarHBondContact O-CA 3.41Å; S302-G309 PolarHBondContact O-N 3.28Å
303G97.1Very high98.3Very high42 Ų4247.4 Ų47.443%0.43326%0.264SS..  trans167.7-158.3-173.800000113.5
304P95.9Very high98.2Very high72 Ų7249 Ų4947%0.46828%0.275SS..SBendcis-82.1-1911.929.9-35.1000115
305R97Very high98Very high226 Ų22654.2 Ų54.285%0.85330%0.299SS*.SBendtrans-127.5-13.9-170.7-66.5-175.5178.2-179.4-0.5116.4
306S97.9Very high97.6Very high133 Ų13355 Ų5593%0.9330%0.303SS*.SBendtrans-120.224.1-176.8-56.80000112.9
307G97.7Very high97Very high21 Ų2157 Ų5722%0.21631%0.311CS..SBendtrans-132.3-161.9175.400000111.4S302 R399S302-G307 CarbonylContact O-C 3.56Å; S302-G307 WeakPolarHBondContact OG-CA 3.34Å; G307-R399 PolarHBondContact O-NH2 2.93Å
308L98.4Very high96Very high46 Ų4663.5 Ų63.524%0.24135%0.353CS..  trans-69.3-53.7176.6-55-174.3000110.3F299 L300 S302 E310 R399F299-L308 HydrophobicContact CB-CD1 4.38Å; L300-L308 HydrophobicContact CD2-CD1 4.24Å; S302-L308 PolarHBondContact O-N 2.91Å; S302-L308 PolarHBondContact OG-N 3.45Å; S302-L308 VanDerWaalsContact OG-N 3.07Å; L308-E310 VanDerWaalsContact C-N 3.32Å; L308-E310 PolarHBondContact O-N 3.31Å; L308-R399 PolarHBondContact O-NE 2.85Å; L308-R399 VanDerWaalsContact O-NE 3.07Å
309G98.4Very high94.8Very high6 Ų662.9 Ų62.96%0.06236%0.363CS..  trans67.628.2175.800000114.2L300 S302 N396 R399L300-G309 CarbonylContact O-C 3.53Å; L300-G309 PolarHBondContact O-N 3.07Å; S302-G309 VanDerWaalsContact O-CA 3.31Å; S302-G309 WeakPolarHBondContact O-CA 3.41Å; S302-G309 PolarHBondContact O-N 3.28Å; G309-N396 VanDerWaalsContact O-CB 3.23Å; G309-N396 WeakPolarHBondContact O-CB 3.49Å; G309-N396 PolarHBondContact O-ND2 3.47Å; G309-R399 WeakPolarHBondContact O-CG 3.47Å
310E98.8Very high93.3Very high4 Ų460.4 Ų60.42%0.01936%0.36CS..  trans-78.6-29.8178.9-67.1-178-15600112.2K185 R188 L300 L308 N396 I400K185-E310 VanDerWaalsContact CD-OE2 3.26Å; K185-E310 WeakPolarHBondContact CD-OE2 3.3Å; K185-E310 WeakPolarHBondContact CE-OE2 3.34Å; K185-E310 IonicContact NZ-OE2 3.47Å; K185-E310 PolarHBondContact NZ-OE2 2.97Å; R188-E310 IonicContact CZ-OE1 2.7Å; R188-E310 IonicContact NH1-OE1 3.36Å; R188-E310 PolarHBondContact NH1-OE1 3.02Å; R188-E310 IonicContact NH1-OE2 2.94Å; R188-E310 IonicContact NH2-OE1 3.87Å; R188-E310 PolarHBondContact NH2-OE1 2.93Å; L300-E310 HydrophobicContact CD2-CB 4.21Å; L300-E310 HydrophobicContact CD2-CG 4.43Å; L300-E310 VanDerWaalsContact CD2-OE2 3.29Å; L300-E310 WeakPolarHBondContact CD2-OE2 3.3Å; L300-E310 PolarHBondContact O-N 3.33Å; L308-E310 VanDerWaalsContact C-N 3.32Å; L308-E310 PolarHBondContact O-N 3.31Å; E310-N396 PolarHBondContact O-N 3.11Å; E310-I400 HydrophobicContact CB-CD1 4.28Å; E310-I400 HydrophobicContact CB-CG1 4.06Å; E310-I400 HydrophobicContact CG-CG1 4.04Å; E310-I400 WeakPolarHBondContact O-CD1 3.29Å
311L98.8Very high92.3Very high6 Ų666.1 Ų66.13%0.03140%0.401CS..EExtended strand (participates in β ladder)trans-113.8146.9177.1-61.1-179.1000111.3F180 L199 F203 L300 G301 L313 I393 K394F180-L311 HydrophobicContact CE2-CD2 4.44Å; L199-L311 HydrophobicContact CD1-CD2 4.19Å; L199-L311 HydrophobicContact CD2-CD2 4.35Å; F203-L311 HydrophobicContact CE2-CD1 4.2Å; F203-L311 HydrophobicContact CZ-CD1 4.04Å; L300-L311 HydrophobicContact CB-CB 4.38Å; L300-L311 HydrophobicContact CB-CD1 3.71Å; L300-L311 HydrophobicContact CB-CG 3.82Å; L300-L311 HydrophobicContact CD1-CD1 4.05Å; L300-L311 PolarHBondContact O-N 3.19Å; G301-L311 WeakPolarHBondContact CA-O 3.4Å; L311-L313 HydrophobicContact CB-CD2 4.19Å; L311-I393 HydrophobicContact CB-CG2 4.26Å; L311-I393 HydrophobicContact CD1-CG2 3.99Å; L311-I393 HydrophobicContact CD2-CG2 3.73Å; L311-I393 HydrophobicContact CG-CG2 4.2Å; L311-K394 CarbonylContact C-O 3.56Å; L311-K394 WeakPolarHBondContact CA-O 3.29Å
312I98.5Very high91.8Very high85 Ų8572 Ų7244%0.43643%0.426SS..EExtended strand (participates in β ladder)trans-110.1114.2167.8-56.1171.1000106.4K394 N396I312-K394 HydrophobicContact CB-CB 4.34Å; I312-K394 PolarHBondContact N-O 3.22Å; I312-K394 PolarHBondContact O-N 2.68Å; I312-N396 HydrophobicContact CD1-CB 4.16Å; I312-N396 HydrophobicContact CG1-CB 4.07Å
313L98.2Very high91.5Very high15 Ų1574.5 Ų74.58%0.07944%0.435CS..  trans-89.9151.6-178.8-52.9-176.3000110.6I297 L311 V327 P329 I393I297-L313 HydrophobicContact CG2-CD1 4.37Å; I297-L313 HydrophobicContact CG2-CD2 3.75Å; L311-L313 HydrophobicContact CB-CD2 4.19Å; L313-V327 HydrophobicContact CB-CG1 4.45Å; L313-P329 HydrophobicContact CD1-CB 3.73Å; L313-I393 HydrophobicContact CD2-CD1 4.26Å; L313-I393 HydrophobicContact CD2-CG1 3.91Å
314P97.4Very high91Very high36 Ų3677.8 Ų77.823%0.23445%0.448CS..  trans-60.2137.7172.3-23.835.7000112.1
315E93.3Very high90.6Very high111 Ų11177.1 Ų77.152%0.51946%0.455SS..  trans-95.2108.9171.4-172.9177.8-160.200108.7E317 G319 V327E315-E317 WeakPolarHBondContact CG-O 3.34Å; E315-G319 WeakPolarHBondContact OE1-CA 3.49Å; E315-G319 PolarHBondContact OE1-N 3.33Å; E315-G319 VanDerWaalsContact OE1-N 3.1Å; E315-V327 HydrophobicContact CB-CG1 4.13Å; E315-V327 HydrophobicContact CB-CG2 4.03Å; E315-V327 HydrophobicContact CG-CG2 4.4Å
316N91.3Very high90.6Very high78 Ų7870.8 Ų70.842%0.41743%0.433SS..  trans-103-19.2-177.3-55.4-62000113N388N316-N388 PolarHBondContact ND2-O 3.28Å
317E85.6Confident90.5Very high86 Ų8666.2 Ų66.240%0.40240%0.399SS..SBendtrans-117.5142.1179.7-58.782.8-17100109.3E315 G319 T330E315-E317 WeakPolarHBondContact CG-O 3.34Å; E317-G319 PolarHBondContact O-N 3.25Å; E317-T330 PolarHBondContact OE1-OG1 3.44Å; E317-T330 PolarHBondContact OE2-OG1 3.38Å; E317-T330 VanDerWaalsContact OE2-OG1 3.08Å
318P79.4Confident90.4Very high136 Ų13669.5 Ų69.588%0.88341%0.412SS*.  trans-56.9113.2-178.7-24.233.2000112.1
319G73.5Confident90.3Very high39 Ų3968.6 Ų68.640%0.40241%0.409SS..  trans-68163.3163.100000111.7E315 E317 S321E315-G319 WeakPolarHBondContact OE1-CA 3.49Å; E315-G319 PolarHBondContact OE1-N 3.33Å; E315-G319 VanDerWaalsContact OE1-N 3.1Å; E317-G319 PolarHBondContact O-N 3.25Å; G319-S321 PolarHBondContact O-N 3.32Å
320S67Low90.3Very high64 Ų6470 Ų7045%0.44842%0.416SS..  trans-68.6124.9169.9-178.60000109.3I322 M323S320-I322 PolarHBondContact O-N 3.07Å; S320-I322 VanDerWaalsContact O-N 3.09Å; S320-I322 VanDerWaalsContact OG-CG2 3.25Å; S320-I322 WeakPolarHBondContact OG-CG2 3.46Å; S320-M323 WeakPolarHBondContact O-CA 3.33Å; S320-M323 PolarHBondContact O-N 3.1Å
321S77.5Confident90.3Very high126 Ų12671.1 Ų71.188%0.88142%0.421SS*.THydrogen-bonded Turntrans-58.3-25.6-178.858.60000113.7G319 M323G319-S321 PolarHBondContact O-N 3.32Å; S321-M323 PolarHBondContact O-N 3.06Å
322I88.2Confident90.3Very high142 Ų14270.8 Ų70.873%0.72842%0.42SS*.THydrogen-bonded Turntrans-76.9-3.6173.8-161.5165.6000113.5S320 P324S320-I322 PolarHBondContact O-N 3.07Å; S320-I322 VanDerWaalsContact O-N 3.09Å; S320-I322 VanDerWaalsContact OG-CG2 3.25Å; S320-I322 WeakPolarHBondContact OG-CG2 3.46Å; I322-P324 VanDerWaalsContact C-CD 3.42Å; I322-P324 WeakPolarHBondContact O-CD 3.3Å
323M90.8Very high90.3Very high91 Ų9170.3 Ų70.345%0.44842%0.416SS..SBendtrans-120.562.3-178.6-61-172.2-177.800112.5S320 S321 G325 K326S320-M323 WeakPolarHBondContact O-CA 3.33Å; S320-M323 PolarHBondContact O-N 3.1Å; S321-M323 PolarHBondContact O-N 3.06Å; M323-G325 PolarHBondContact O-N 3.39Å; M323-K326 HydrophobicContact CB-CB 4.11Å; M323-K326 HydrophobicContact CB-CD 4.17Å; M323-K326 WeakPolarHBondContact O-CB 3.43Å; M323-K326 PolarHBondContact O-N 3.42Å; M323-K326 HydrophobicContact SD-CD 3.62Å
324P87.6Confident90.3Very high111 Ų11171.5 Ų71.572%0.72143%0.428SS*.THydrogen-bonded Turntrans-62137.4-177.627.2-35.4000112.2I322 K326I322-P324 VanDerWaalsContact C-CD 3.42Å; I322-P324 WeakPolarHBondContact O-CD 3.3Å; P324-K326 PolarHBondContact O-N 2.89Å
325G88.2Confident90.4Very high58 Ų5869.9 Ų69.960%0.59842%0.417SS*.THydrogen-bonded Turntrans77.2-2.9179.300000115.1M323 V327M323-G325 PolarHBondContact O-N 3.39Å; G325-V327 PolarHBondContact O-N 2.8Å
326K95.4Very high90.7Very high93 Ų9365.7 Ų65.740%0.40440%0.399SS..  trans-80.5107.3171.1-179.8-172172.8-1770109.3M323 P324 N328M323-K326 HydrophobicContact CB-CB 4.11Å; M323-K326 HydrophobicContact CB-CD 4.17Å; M323-K326 WeakPolarHBondContact O-CB 3.43Å; M323-K326 PolarHBondContact O-N 3.42Å; M323-K326 HydrophobicContact SD-CD 3.62Å; P324-K326 PolarHBondContact O-N 2.89Å; K326-N328 WeakPolarHBondContact CE-OD1 3.46Å
327V95.9Very high91.1Very high36 Ų3668.2 Ų68.222%0.21841%0.41CS..  trans-116.6117174.3-176.70000108.9L313 E315 G325L313-V327 HydrophobicContact CB-CG1 4.45Å; E315-V327 HydrophobicContact CB-CG1 4.13Å; E315-V327 HydrophobicContact CB-CG2 4.03Å; E315-V327 HydrophobicContact CG-CG2 4.4Å; G325-V327 PolarHBondContact O-N 2.8Å
328N95.8Very high91.7Very high91 Ų9165.1 Ų65.149%0.48740%0.397SS..  trans-74.6133.4173.6-68.1-14.9000109.1K326 T330K326-N328 WeakPolarHBondContact CE-OD1 3.46Å; N328-T330 HydrophobicContact CB-CG2 4.16Å; N328-T330 PolarHBondContact O-N 2.8Å
329P97.7Very high92.6Very high26 Ų2658.8 Ų58.817%0.16936%0.356CS..  trans-80.259.9-178.432.9-34.6000111.8R298 L313 Q331 C332 E333R298-P329 HydrophobicContact CB-CB 4.44Å; R298-P329 HydrophobicContact CB-CG 4.33Å; R298-P329 HydrophobicContact CG-CB 4.3Å; R298-P329 HydrophobicContact CG-CG 3.67Å; L313-P329 HydrophobicContact CD1-CB 3.73Å; P329-Q331 VanDerWaalsContact C-N 3.3Å; P329-Q331 PolarHBondContact O-N 3.15Å; P329-C332 HydrophobicContact CB-CB 4.06Å; P329-C332 WeakPolarHBondContact O-CA 3.3Å; P329-C332 VanDerWaalsContact O-CB 3.28Å; P329-C332 WeakPolarHBondContact O-CB 3.32Å; P329-C332 PolarHBondContact O-N 2.86Å; P329-E333 PolarHBondContact O-N 3.44Å; P329-E333 VanDerWaalsContact O-N 3.1Å
330T97.8Very high93.8Very high36 Ų3659.6 Ų59.622%0.22136%0.359CS..Hα-helixtrans-57.2-38.3-171.155.20000113.4E317 N328 E333 A334E317-T330 PolarHBondContact OE1-OG1 3.44Å; E317-T330 PolarHBondContact OE2-OG1 3.38Å; E317-T330 VanDerWaalsContact OE2-OG1 3.08Å; N328-T330 HydrophobicContact CB-CG2 4.16Å; N328-T330 PolarHBondContact O-N 2.8Å; T330-E333 WeakPolarHBondContact O-CB 3.4Å; T330-E333 PolarHBondContact O-N 2.98Å; T330-A334 PolarHBondContact O-N 2.94Å
331Q98.7Very high95.3Very high27 Ų2760.8 Ų60.813%0.12636%0.358CS..Hα-helixtrans-69.7-33.8176.7-60.7-63.8-5000112.3P329 E333 V335 S384 F385 N388 C389P329-Q331 VanDerWaalsContact C-N 3.3Å; P329-Q331 PolarHBondContact O-N 3.15Å; Q331-E333 VanDerWaalsContact C-N 3.3Å; Q331-V335 WeakPolarHBondContact O-CG2 3.33Å; Q331-V335 PolarHBondContact O-N 2.96Å; Q331-V335 VanDerWaalsContact O-N 3.08Å; Q331-S384 PolarHBondContact OE1-OG 3.45Å; Q331-F385 HydrophobicContact CB-CD2 3.82Å; Q331-F385 HydrophobicContact CB-CE2 4.44Å; Q331-N388 HydrophobicContact CG-CB 3.92Å; Q331-C389 HydrophobicContact CB-CB 3.94Å; Q331-C389 HydrophobicContact CG-CB 4.24Å
332C98.7Very high96.4Very high0 Ų054.8 Ų54.80%032%0.316CS..Hα-helixtrans-64.3-39171.7-60.50000110.5A294 R298 P329 V335 T336A294-C332 HydrophobicContact CB-CB 4.33Å; A294-C332 PolarHBondContact O-SG 3.36Å; A294-C332 VanDerWaalsContact O-SG 3.4Å; R298-C332 HydrophobicContact CB-CB 4.01Å; R298-C332 PolarHBondContact NH2-O 3.29Å; P329-C332 HydrophobicContact CB-CB 4.06Å; P329-C332 WeakPolarHBondContact O-CA 3.3Å; P329-C332 VanDerWaalsContact O-CB 3.28Å; P329-C332 WeakPolarHBondContact O-CB 3.32Å; P329-C332 PolarHBondContact O-N 2.86Å; C332-V335 PolarHBondContact O-N 3.42Å; C332-T336 WeakPolarHBondContact O-CG2 3.44Å; C332-T336 PolarHBondContact O-N 2.96Å; C332-T336 PolarHBondContact O-OG1 3.39Å
333E98.7Very high96.9Very high75 Ų7550.9 Ų50.935%0.3530%0.295SS..Hα-helixtrans-58.9-52175.6-65.2164.1-173.500111.7R298 P329 T330 Q331 V335 T336 M337R298-E333 IonicContact NH1-OE1 3.54Å; R298-E333 PolarHBondContact NH1-OE1 3.41Å; R298-E333 VanDerWaalsContact NH2-N 3.16Å; P329-E333 PolarHBondContact O-N 3.44Å; P329-E333 VanDerWaalsContact O-N 3.1Å; T330-E333 WeakPolarHBondContact O-CB 3.4Å; T330-E333 PolarHBondContact O-N 2.98Å; Q331-E333 VanDerWaalsContact C-N 3.3Å; E333-V335 PolarHBondContact O-N 3.19Å; E333-T336 PolarHBondContact O-N 3.29Å; E333-T336 PolarHBondContact O-OG1 2.96Å; E333-M337 WeakPolarHBondContact O-CG 3.49Å; E333-M337 PolarHBondContact O-N 2.98Å
334A98.8Very high97.3Very high40 Ų4048.4 Ų48.433%0.33129%0.293SS..Hα-helixtrans-55.8-48.4176.400000112.2T330 T336 M337 V338T330-A334 PolarHBondContact O-N 2.94Å; A334-T336 PolarHBondContact O-N 3.41Å; A334-M337 PolarHBondContact O-N 2.78Å; A334-V338 WeakPolarHBondContact O-CG2 3.41Å; A334-V338 PolarHBondContact O-N 2.96Å
335V98.9Very high97.8Very high2 Ų243.4 Ų43.41%0.01226%0.26CS..Hα-helixtrans-61.5-44179171.40000111.8M290 A294 Q331 C332 E333 V338 A339 F385M290-V335 HydrophobicContact CB-CG1 4Å; M290-V335 HydrophobicContact CE-CG1 3.98Å; A294-V335 HydrophobicContact CB-CB 3.94Å; A294-V335 HydrophobicContact CB-CG1 3.64Å; Q331-V335 WeakPolarHBondContact O-CG2 3.33Å; Q331-V335 PolarHBondContact O-N 2.96Å; Q331-V335 VanDerWaalsContact O-N 3.08Å; C332-V335 PolarHBondContact O-N 3.42Å; E333-V335 PolarHBondContact O-N 3.19Å; V335-V338 PolarHBondContact O-N 2.78Å; V335-A339 PolarHBondContact O-N 2.9Å; V335-F385 HydrophobicContact CG2-CB 3.7Å; V335-F385 HydrophobicContact CG2-CD1 4.26Å; V335-F385 HydrophobicContact CG2-CD2 4.06Å; V335-F385 HydrophobicContact CG2-CG 3.77Å
336T98.9Very high98.3Very high22 Ų2241.8 Ų41.814%0.13524%0.237CC..Hα-helixtrans-68.4-34.9-179.152.10000112.7M291 A294 R298 C332 E333 A334 A339 A340M291-T336 VanDerWaalsContact CE-O 3.25Å; M291-T336 WeakPolarHBondContact CE-O 3.46Å; M291-T336 HydrophobicContact SD-CG2 3.51Å; M291-T336 VanDerWaalsContact SD-CG2 3.51Å; A294-T336 HydrophobicContact CB-CG2 3.92Å; R298-T336 PolarHBondContact NH2-OG1 3.01Å; R298-T336 VanDerWaalsContact NH2-OG1 3.13Å; C332-T336 WeakPolarHBondContact O-CG2 3.44Å; C332-T336 PolarHBondContact O-N 2.96Å; C332-T336 PolarHBondContact O-OG1 3.39Å; E333-T336 PolarHBondContact O-N 3.29Å; E333-T336 PolarHBondContact O-OG1 2.96Å; A334-T336 PolarHBondContact O-N 3.41Å; T336-A339 PolarHBondContact O-N 3.43Å; T336-A340 PolarHBondContact O-N 3.47Å; T336-A340 VanDerWaalsContact O-N 3.14Å
337M98.9Very high98.5Very high131 Ų13141.9 Ų41.965%0.64525%0.245SC*.Hα-helixtrans-66.8-42.8172.4-70.9-172.6-67.200111.8E333 A334 A339 A340 Q341E333-M337 WeakPolarHBondContact O-CG 3.49Å; E333-M337 PolarHBondContact O-N 2.98Å; A334-M337 PolarHBondContact O-N 2.78Å; M337-A339 VanDerWaalsContact C-N 3.33Å; M337-A339 PolarHBondContact O-N 3.3Å; M337-A340 PolarHBondContact O-N 3.48Å; M337-Q341 PolarHBondContact O-N 2.99Å
338V98.9Very high98.6Very high22 Ų2241.9 Ų41.913%0.13325%0.249CC..Hα-helixtrans-58.9-45.2174.3162.80000111.2A334 V335 A340 Q341 V342 L377A334-V338 WeakPolarHBondContact O-CG2 3.41Å; A334-V338 PolarHBondContact O-N 2.96Å; V335-V338 PolarHBondContact O-N 2.78Å; V338-A340 VanDerWaalsContact C-N 3.31Å; V338-A340 PolarHBondContact O-N 3.12Å; V338-Q341 PolarHBondContact O-N 3.37Å; V338-Q341 VanDerWaalsContact O-N 3.16Å; V338-V342 HydrophobicContact CG1-CG2 4.32Å; V338-V342 WeakPolarHBondContact O-CG2 3.3Å; V338-V342 PolarHBondContact O-N 3.5Å; V338-L377 HydrophobicContact CG1-CB 3.71Å; V338-L377 HydrophobicContact CG2-CB 4.15Å; V338-L377 HydrophobicContact CG2-CD2 4.41Å
339A98.9Very high98.8Very high3 Ų337.6 Ų37.63%0.02523%0.226CC..Hα-helixtrans-61.1-39.7178.900000112.2A287 M291 V335 T336 M337 V342 M343A287-A339 HydrophobicContact CB-CB 4.11Å; A287-A339 WeakPolarHBondContact O-CB 3.29Å; M291-A339 HydrophobicContact CB-CB 3.97Å; M291-A339 HydrophobicContact CE-CB 3.76Å; M291-A339 HydrophobicContact SD-CB 4.46Å; V335-A339 PolarHBondContact O-N 2.9Å; T336-A339 PolarHBondContact O-N 3.43Å; M337-A339 VanDerWaalsContact C-N 3.33Å; M337-A339 PolarHBondContact O-N 3.3Å; A339-V342 PolarHBondContact O-N 2.94Å; A339-M343 HydrophobicContact CB-CE 4.49Å; A339-M343 VanDerWaalsContact O-CG 3.3Å; A339-M343 WeakPolarHBondContact O-CG 3.3Å; A339-M343 PolarHBondContact O-N 3.37Å; A339-M343 VanDerWaalsContact O-N 3.13Å
340A98.9Very high98.8Very high55 Ų5538.5 Ų38.546%0.45523%0.233SC..Hα-helixtrans-63.7-42.9173.600000112.3M291 T336 M337 V338 V342 M343 G344M291-A340 HydrophobicContact CE-CB 4.46Å; T336-A340 PolarHBondContact O-N 3.47Å; T336-A340 VanDerWaalsContact O-N 3.14Å; M337-A340 PolarHBondContact O-N 3.48Å; V338-A340 VanDerWaalsContact C-N 3.31Å; V338-A340 PolarHBondContact O-N 3.12Å; A340-V342 PolarHBondContact O-N 3.07Å; A340-M343 PolarHBondContact O-N 3.49Å; A340-G344 PolarHBondContact O-N 3.19Å; A340-G344 VanDerWaalsContact O-N 3.09Å
341Q98.9Very high98.9Very high90 Ų9040.5 Ų40.542%0.42125%0.245SC..Hα-helixtrans-60.9-44.7176.7-173.363.454.100111.6M337 V338 M343 G344 N345 L377M337-Q341 PolarHBondContact O-N 2.99Å; V338-Q341 PolarHBondContact O-N 3.37Å; V338-Q341 VanDerWaalsContact O-N 3.16Å; Q341-M343 VanDerWaalsContact C-N 3.32Å; Q341-M343 PolarHBondContact O-N 2.96Å; Q341-G344 PolarHBondContact O-N 3.41Å; Q341-G344 VanDerWaalsContact O-N 3.16Å; Q341-N345 PolarHBondContact NE2-OD1 3.29Å; Q341-N345 VanDerWaalsContact O-CG 3.28Å; Q341-N345 PolarHBondContact O-N 3.32Å; Q341-N345 PolarHBondContact O-OD1 2.73Å; Q341-L377 HydrophobicContact CB-CD1 4.38Å; Q341-L377 HydrophobicContact CG-CD1 3.95Å
342V99Very high98.9Very high0 Ų039.3 Ų39.30%024%0.24CC..Hα-helixtrans-60.3-42.6177.5174.30000111H280 L283 A287 V338 A339 A340 G344 N345 Q346 I378H280-V342 PolarHBondContact CE1-O 3.05Å; L283-V342 HydrophobicContact CB-CG1 4.34Å; A287-V342 HydrophobicContact CB-CB 3.82Å; A287-V342 HydrophobicContact CB-CG1 3.73Å; A287-V342 HydrophobicContact CB-CG2 4.49Å; V338-V342 HydrophobicContact CG1-CG2 4.32Å; V338-V342 WeakPolarHBondContact O-CG2 3.3Å; V338-V342 PolarHBondContact O-N 3.5Å; A339-V342 PolarHBondContact O-N 2.94Å; A340-V342 PolarHBondContact O-N 3.07Å; V342-G344 VanDerWaalsContact C-N 3.3Å; V342-G344 PolarHBondContact O-N 3.47Å; V342-N345 PolarHBondContact O-N 3.02Å; V342-Q346 PolarHBondContact O-N 2.78Å; V342-I378 HydrophobicContact CG1-CD1 4.17Å; V342-I378 HydrophobicContact CG2-CD1 3.92Å; V342-I378 HydrophobicContact CG2-CG1 3.84Å
343M98.9Very high98.9Very high59 Ų5939.8 Ų39.829%0.29125%0.245SC..Hα-helixtrans-62.7-37.6176.9-66.6168.2-166.200112N284 A287 C288 A339 A340 Q341 Q346N284-M343 WeakPolarHBondContact OD1-CG 3.49Å; A287-M343 HydrophobicContact CB-CE 4.32Å; C288-M343 HydrophobicContact CB-CE 4.42Å; A339-M343 HydrophobicContact CB-CE 4.49Å; A339-M343 VanDerWaalsContact O-CG 3.3Å; A339-M343 WeakPolarHBondContact O-CG 3.3Å; A339-M343 PolarHBondContact O-N 3.37Å; A339-M343 VanDerWaalsContact O-N 3.13Å; A340-M343 PolarHBondContact O-N 3.49Å; Q341-M343 VanDerWaalsContact C-N 3.32Å; Q341-M343 PolarHBondContact O-N 2.96Å; M343-Q346 WeakPolarHBondContact O-CB 3.35Å; M343-Q346 PolarHBondContact O-N 3.16Å
344G98.9Very high98.9Very high40 Ų4040.4 Ų40.441%0.41226%0.258SS..Hα-helixtrans-64.6-45.9172.300000112.6A340 Q341 V342 Q346 V347 A348A340-G344 PolarHBondContact O-N 3.19Å; A340-G344 VanDerWaalsContact O-N 3.09Å; Q341-G344 PolarHBondContact O-N 3.41Å; Q341-G344 VanDerWaalsContact O-N 3.16Å; V342-G344 VanDerWaalsContact C-N 3.3Å; V342-G344 PolarHBondContact O-N 3.47Å; G344-Q346 VanDerWaalsContact C-N 3.26Å; G344-Q346 PolarHBondContact O-N 2.85Å; G344-V347 WeakPolarHBondContact O-CB 3.44Å; G344-V347 PolarHBondContact O-N 3.34Å; G344-V347 VanDerWaalsContact O-N 3.07Å; G344-A348 PolarHBondContact O-N 3.5Å
345N98.9Very high98.9Very high5 Ų541.5 Ų41.53%0.02726%0.258CS..Hα-helixtrans-59.9-35.7177.6-71.49.4000112.1H280 Q341 V342 V347 A348 V349 N370 Q373 S374H280-N345 WeakPolarHBondContact NE2-CB 3.2Å; Q341-N345 PolarHBondContact NE2-OD1 3.29Å; Q341-N345 VanDerWaalsContact O-CG 3.28Å; Q341-N345 PolarHBondContact O-N 3.32Å; Q341-N345 PolarHBondContact O-OD1 2.73Å; V342-N345 PolarHBondContact O-N 3.02Å; N345-V347 VanDerWaalsContact C-N 3.27Å; N345-V347 PolarHBondContact O-N 3.49Å; N345-A348 PolarHBondContact O-N 2.84Å; N345-V349 WeakPolarHBondContact O-CG2 3.33Å; N345-V349 PolarHBondContact O-N 2.99Å; N345-N370 HydrophobicContact CB-CB 4.1Å; N345-N370 VanDerWaalsContact CG-OD1 3.25Å; N345-N370 PolarHBondContact OD1-OD1 2.66Å; N345-Q373 PolarHBondContact ND2-OE1 3.37Å; N345-S374 WeakPolarHBondContact CB-OG 3.16Å; N345-S374 PolarHBondContact ND2-OG 3.3Å; N345-S374 VanDerWaalsContact ND2-OG 3.11Å
346Q98.9Very high98.9Very high25 Ų2542.9 Ų42.912%0.11727%0.272CS..Hα-helixtrans-56.5-44.2174.7174.362.543.800111.3H280 N284 V342 M343 G344 V349 S350H280-Q346 WeakPolarHBondContact CE1-CA 3.15Å; H280-Q346 PolarHBondContact CE1-N 3.49Å; H280-Q346 WeakPolarHBondContact ND1-CA 3.14Å; H280-Q346 PolarHBondContact ND1-OE1 3.49Å; H280-Q346 PolarHBondContact O-OE1 3.48Å; N284-Q346 HydrophobicContact CB-CB 4.23Å; N284-Q346 HydrophobicContact CB-CG 4.19Å; V342-Q346 PolarHBondContact O-N 2.78Å; M343-Q346 WeakPolarHBondContact O-CB 3.35Å; M343-Q346 PolarHBondContact O-N 3.16Å; G344-Q346 VanDerWaalsContact C-N 3.26Å; G344-Q346 PolarHBondContact O-N 2.85Å; Q346-V349 PolarHBondContact O-N 3Å; Q346-S350 PolarHBondContact NE2-OG 2.86Å; Q346-S350 WeakPolarHBondContact O-CB 3.09Å; Q346-S350 PolarHBondContact O-N 2.71Å; Q346-S350 PolarHBondContact O-OG 3.23Å
347V98.9Very high98.9Very high94 Ų9446.9 Ų46.957%0.5729%0.289SS*.Hα-helixtrans-64.6-43.7-179.8179.90000110.1G344 N345 V349 S350 V351G344-V347 WeakPolarHBondContact O-CB 3.44Å; G344-V347 PolarHBondContact O-N 3.34Å; G344-V347 VanDerWaalsContact O-N 3.07Å; N345-V347 VanDerWaalsContact C-N 3.27Å; N345-V347 PolarHBondContact O-N 3.49Å; V347-V349 VanDerWaalsContact C-N 3.34Å; V347-V349 PolarHBondContact O-N 3.13Å; V347-S350 PolarHBondContact O-N 3.17Å; V347-V351 HydrophobicContact CG1-CG2 4.39Å; V347-V351 WeakPolarHBondContact O-CG2 3.41Å; V347-V351 PolarHBondContact O-N 3.38Å
348A98.9Very high98.9Very high37 Ų3749.2 Ų49.231%0.30630%0.296SS..Hα-helixtrans-59.2-43.7176.200000112.1G344 N345 G352G344-A348 PolarHBondContact O-N 3.5Å; N345-A348 PolarHBondContact O-N 2.84Å; A348-G352 PolarHBondContact O-N 3.28Å
349V99Very high98.8Very high0 Ų053 Ų530%031%0.313CS..Hα-helixtrans-65.8-43.4177175.70000111.4V277 H280 N345 Q346 V347 G352 G353 M367 N370 V371V277-V349 HydrophobicContact CG2-CG1 4.17Å; H280-V349 HydrophobicContact CB-CB 4.37Å; H280-V349 HydrophobicContact CB-CG1 4.07Å; H280-V349 HydrophobicContact CB-CG2 4.42Å; N345-V349 WeakPolarHBondContact O-CG2 3.33Å; N345-V349 PolarHBondContact O-N 2.99Å; Q346-V349 PolarHBondContact O-N 3Å; V347-V349 VanDerWaalsContact C-N 3.34Å; V347-V349 PolarHBondContact O-N 3.13Å; V349-G352 PolarHBondContact O-N 3.32Å; V349-G353 PolarHBondContact O-N 3.3Å; V349-M367 HydrophobicContact CG1-CE 4.09Å; V349-N370 HydrophobicContact CG2-CB 3.54Å; V349-V371 HydrophobicContact CG1-CG2 4.36Å; V349-V371 HydrophobicContact CG2-CG2 3.98Å
350S98.9Very high98.8Very high46 Ų4654.2 Ų54.232%0.32232%0.318SS..Hα-helixtrans-62.8-43.3177.3-72.50000112.2Q346 V347 G353 S354Q346-S350 PolarHBondContact NE2-OG 2.86Å; Q346-S350 WeakPolarHBondContact O-CB 3.09Å; Q346-S350 PolarHBondContact O-N 2.71Å; Q346-S350 PolarHBondContact O-OG 3.23Å; V347-S350 PolarHBondContact O-N 3.17Å; S350-G353 PolarHBondContact O-N 3.37Å; S350-S354 WeakPolarHBondContact O-CB 3.43Å; S350-S354 PolarHBondContact O-N 2.95Å; S350-S354 PolarHBondContact O-OG 3.42Å
351V98.9Very high98.8Very high78 Ų7851.6 Ų51.647%0.47330%0.297SS..Hα-helixtrans-62.9-47.2175.6174.60000110.3V347 G353 S354 N355V347-V351 HydrophobicContact CG1-CG2 4.39Å; V347-V351 WeakPolarHBondContact O-CG2 3.41Å; V347-V351 PolarHBondContact O-N 3.38Å; V351-G353 PolarHBondContact O-N 3.48Å; V351-S354 PolarHBondContact O-N 2.91Å; V351-S354 PolarHBondContact O-OG 2.98Å; V351-N355 PolarHBondContact O-N 3.04Å; V351-N355 PolarHBondContact O-ND2 2.79Å
352G98.9Very high98.8Very high2 Ų250 Ų502%0.02129%0.293CS..Hα-helixtrans-60.2-42.8176.700000113.4A348 V349 S354 N355 N361A348-G352 PolarHBondContact O-N 3.28Å; V349-G352 PolarHBondContact O-N 3.32Å; G352-S354 PolarHBondContact O-N 3.49Å; G352-N355 PolarHBondContact O-N 3.21Å; G352-N361 PolarHBondContact O-ND2 3.06Å
353G98.8Very high98.8Very high9 Ų953.4 Ų53.49%0.09331%0.308CS..Hα-helixtrans-63.5-38.8177.600000112.9V349 S350 V351 N355 N361V349-G353 PolarHBondContact O-N 3.3Å; S350-G353 PolarHBondContact O-N 3.37Å; V351-G353 PolarHBondContact O-N 3.48Å; G353-N355 VanDerWaalsContact C-N 3.29Å; G353-N355 PolarHBondContact O-N 3.39Å; G353-N361 PolarHBondContact O-ND2 3.02Å
354S98.8Very high98.8Very high89 Ų8950.6 Ų50.662%0.62229%0.294SS*.Hα-helixtrans-72.3-14.2-178.8690000115.4S350 V351 G352S350-S354 WeakPolarHBondContact O-CB 3.43Å; S350-S354 PolarHBondContact O-N 2.95Å; S350-S354 PolarHBondContact O-OG 3.42Å; V351-S354 PolarHBondContact O-N 2.91Å; V351-S354 PolarHBondContact O-OG 2.98Å; G352-S354 PolarHBondContact O-N 3.49Å
355N98.9Very high98.8Very high62 Ų6248.9 Ų48.933%0.33228%0.276SS..THydrogen-bonded Turntrans-108.140.9-173.5-74.6-80.1000113V351 G352 G353 H357 F363V351-N355 PolarHBondContact O-N 3.04Å; V351-N355 PolarHBondContact O-ND2 2.79Å; G352-N355 PolarHBondContact O-N 3.21Å; G353-N355 VanDerWaalsContact C-N 3.29Å; G353-N355 PolarHBondContact O-N 3.39Å; N355-H357 PolarHBondContact O-CE1 2.79Å; N355-H357 PolarHBondContact O-ND1 3Å; N355-F363 HydrophobicContact CB-CD2 4.05Å; N355-F363 HydrophobicContact CB-CE2 3.54Å; N355-F363 HydrophobicContact CB-CZ 3.99Å
356G98.6Very high98.8Very high31 Ų3149.9 Ų49.932%0.3228%0.282SS..  trans-72.3143167.100000111.7
357H98.8Very high98.8Very high106 Ų10648.7 Ų48.749%0.49128%0.277SS..BIsolated β-bridgetrans-127.1120.9178.1-56.6106.4000110.3N355 E359 L360N355-H357 PolarHBondContact O-CE1 2.79Å; N355-H357 PolarHBondContact O-ND1 3Å; H357-E359 PolarHBondContact O-N 3.2Å; H357-E359 VanDerWaalsContact O-N 3.17Å; H357-L360 PolarHBondContact N-O 2.95Å; H357-L360 PolarHBondContact O-N 3.3Å; H357-L360 VanDerWaalsContact O-N 3.13Å
358F98.3Very high98.8Very high181 Ų18144.2 Ų44.279%0.79425%0.249SC*.THydrogen-bonded Turntrans51.5-118.4176.7-46.4-69.9000111.4A271A271-F358 VanDerWaalsContact CB-O 3.27Å; A271-F358 WeakPolarHBondContact CB-O 3.4Å
359E98.7Very high98.8Very high102 Ų10243 Ų4348%0.47724%0.239SC..THydrogen-bonded Turntrans-86.1-1.9-174.5-66.168.1-134.900114.9V234 H357V234-E359 HydrophobicContact CB-CB 4.04Å; V234-E359 HydrophobicContact CB-CG 4.07Å; V234-E359 HydrophobicContact CG1-CB 4.18Å; V234-E359 HydrophobicContact CG1-CG 4.41Å; H357-E359 PolarHBondContact O-N 3.2Å; H357-E359 VanDerWaalsContact O-N 3.17Å
360L98.9Very high98.8Very high27 Ų2744 Ų4414%0.14124%0.244CC..BIsolated β-bridgetrans-148.6121.7-176.3-160.670.1000114N143 L270 H357 V362N143-L360 HydrophobicContact CB-CD1 3.9Å; N143-L360 HydrophobicContact CB-CD2 4.34Å; L270-L360 HydrophobicContact CB-CD1 4.15Å; L270-L360 WeakPolarHBondContact O-CA 3.39Å; H357-L360 PolarHBondContact N-O 2.95Å; H357-L360 PolarHBondContact O-N 3.3Å; H357-L360 VanDerWaalsContact O-N 3.13Å; L360-V362 HydrophobicContact CB-CG1 4.47Å; L360-V362 HydrophobicContact CD2-CG1 3.83Å; L360-V362 HydrophobicContact CG-CG1 4.07Å; L360-V362 PolarHBondContact O-N 2.68Å
361N98.9Very high98.8Very high0 Ų041.8 Ų41.80%023%0.229CC..  trans-75.9122.5161.7-176.7-56.6000109.6L270 A271 G352 G353 F363 K364L270-N361 PolarHBondContact O-N 2.94Å; A271-N361 VanDerWaalsContact O-CB 3.3Å; A271-N361 WeakPolarHBondContact O-CB 3.19Å; A271-N361 PolarHBondContact O-N 3.01Å; G352-N361 PolarHBondContact O-ND2 3.06Å; G353-N361 PolarHBondContact O-ND2 3.02Å; N361-F363 WeakPolarHBondContact OD1-CB 3.29Å; N361-F363 PolarHBondContact OD1-N 2.85Å; N361-K364 WeakPolarHBondContact O-CE 3.27Å; N361-K364 WeakPolarHBondContact O-CG 3.08Å; N361-K364 PolarHBondContact O-NZ 3.25Å
362V98.8Very high98.8Very high58 Ų5838.5 Ų38.535%0.35221%0.209SC..  trans-109.237.6-178.1-65.70000112.4G99 L360G99-V362 CarbonylContact C-O 3.58Å; G99-V362 WeakPolarHBondContact CA-O 3.46Å; G99-V362 CarbonylContact O-C 3.59Å; G99-V362 WeakPolarHBondContact O-CA 3.33Å; L360-V362 HydrophobicContact CB-CG1 4.47Å; L360-V362 HydrophobicContact CD2-CG1 3.83Å; L360-V362 HydrophobicContact CG-CG1 4.07Å; L360-V362 PolarHBondContact O-N 2.68Å
363F98.9Very high98.8Very high70 Ų7042.6 Ų42.631%0.30723%0.227SC..  trans-11519.1169.3-72.3-100.1000111.3N355 N361 V366 M367N355-F363 HydrophobicContact CB-CD2 4.05Å; N355-F363 HydrophobicContact CB-CE2 3.54Å; N355-F363 HydrophobicContact CB-CZ 3.99Å; N361-F363 WeakPolarHBondContact OD1-CB 3.29Å; N361-F363 PolarHBondContact OD1-N 2.85Å; F363-V366 HydrophobicContact CB-CG1 4.04Å; F363-V366 HydrophobicContact CD1-CG1 4.11Å; F363-V366 WeakPolarHBondContact O-CG1 3.22Å; F363-V366 PolarHBondContact O-N 3.3Å; F363-M367 HydrophobicContact CB-CG 4.33Å; F363-M367 HydrophobicContact CB-SD 4.33Å; F363-M367 VanDerWaalsContact O-CG 3.31Å; F363-M367 WeakPolarHBondContact O-CG 3.38Å; F363-M367 PolarHBondContact O-N 3.11Å; F363-M367 VanDerWaalsContact O-N 3.12Å
364K98.9Very high98.8Very high0 Ų042.2 Ų42.20%022%0.223CC..Hα-helixtrans-56.9-49.3-168.3-46.9-162.8-175.3-62.50113.1G99 F146 P147 M150 L270 H273 N361 M367 V368G99-K364 WeakPolarHBondContact O-CB 3.01Å; G99-K364 VanDerWaalsContact O-CG 3.32Å; G99-K364 WeakPolarHBondContact O-CG 3.26Å; G99-K364 PolarHBondContact O-N 2.95Å; F146-K364 HydrophobicContact CD1-CB 3.71Å; F146-K364 HydrophobicContact CD1-CD 4.36Å; F146-K364 HydrophobicContact CE1-CB 3.83Å; P147-K364 HydrophobicContact CB-CD 4.39Å; M150-K364 HydrophobicContact CE-CB 4.33Å; M150-K364 HydrophobicContact SD-CB 3.61Å; M150-K364 HydrophobicContact SD-CD 4.43Å; M150-K364 HydrophobicContact SD-CG 4.42Å; L270-K364 PolarHBondContact O-NZ 2.98Å; H273-K364 VanDerWaalsContact NE2-CD 3.34Å; H273-K364 WeakPolarHBondContact NE2-CD 3.1Å; H273-K364 VanDerWaalsContact NE2-CG 3.27Å; H273-K364 WeakPolarHBondContact NE2-CG 3Å; H273-K364 PolarHBondContact NE2-NZ 3.22Å; N361-K364 WeakPolarHBondContact O-CE 3.27Å; N361-K364 WeakPolarHBondContact O-CG 3.08Å; N361-K364 PolarHBondContact O-NZ 3.25Å; K364-M367 PolarHBondContact O-N 3.08Å; K364-V368 PolarHBondContact O-N 3.32Å; K364-V368 VanDerWaalsContact O-N 3.16Å
365P98.9Very high98.8Very high4 Ų438 Ų383%0.02619%0.193CC..Hα-helixtrans-60.3-47179.1-29.239000114.8M43 I95 Q97 G99 F146 M367 V368 A369M43-P365 HydrophobicContact CE-CB 4.06Å; M43-P365 HydrophobicContact CE-CG 4.46Å; I95-P365 HydrophobicContact CG2-CB 4.01Å; I95-P365 WeakPolarHBondContact O-CB 3.28Å; Q97-P365 HydrophobicContact CG-CG 4.22Å; G99-P365 WeakPolarHBondContact O-CD 3.28Å; F146-P365 HydrophobicContact CE1-CG 4.19Å; F146-P365 HydrophobicContact CZ-CB 4.27Å; F146-P365 HydrophobicContact CZ-CG 3.97Å; P365-M367 VanDerWaalsContact C-N 3.33Å; P365-M367 PolarHBondContact O-N 3.27Å; P365-V368 WeakPolarHBondContact O-CG1 3.49Å; P365-A369 VanDerWaalsContact O-CB 3.24Å; P365-A369 WeakPolarHBondContact O-CB 3.19Å; P365-A369 PolarHBondContact O-N 3.29Å
366V98.9Very high98.8Very high27 Ų2741.2 Ų41.216%0.16420%0.201CC..Hα-helixtrans-68.1-36.5-177.263.20000111.1I95 W96 F363 N370I95-V366 HydrophobicContact CG2-CB 4.48Å; W96-V366 HydrophobicContact CH2-CG2 3.83Å; W96-V366 HydrophobicContact CZ3-CB 3.94Å; W96-V366 HydrophobicContact CZ3-CG2 3.64Å; F363-V366 HydrophobicContact CB-CG1 4.04Å; F363-V366 HydrophobicContact CD1-CG1 4.11Å; F363-V366 WeakPolarHBondContact O-CG1 3.22Å; F363-V366 PolarHBondContact O-N 3.3Å; V366-N370 WeakPolarHBondContact CG2-ND2 3.43Å; V366-N370 PolarHBondContact O-N 2.81Å; V366-N370 VanDerWaalsContact O-N 3.17Å; V366-N370 PolarHBondContact O-ND2 3.08Å
367M98.9Very high98.9Very high0 Ų042.3 Ų42.30%020%0.199CC..Hα-helixtrans-62.7-53176.6-69.5-179.275.200111.4M150 H273 M276 V277 V349 F363 K364 P365 A369 N370 V371M150-M367 HydrophobicContact CE-CB 4.47Å; H273-M367 HydrophobicContact CB-CE 3.42Å; H273-M367 VanDerWaalsContact CB-CE 3.42Å; H273-M367 HydrophobicContact CB-SD 3.78Å; M276-M367 HydrophobicContact CB-CE 4.02Å; V277-M367 HydrophobicContact CG2-CE 3.9Å; V349-M367 HydrophobicContact CG1-CE 4.09Å; F363-M367 HydrophobicContact CB-CG 4.33Å; F363-M367 HydrophobicContact CB-SD 4.33Å; F363-M367 VanDerWaalsContact O-CG 3.31Å; F363-M367 WeakPolarHBondContact O-CG 3.38Å; F363-M367 PolarHBondContact O-N 3.11Å; F363-M367 VanDerWaalsContact O-N 3.12Å; K364-M367 PolarHBondContact O-N 3.08Å; P365-M367 VanDerWaalsContact C-N 3.33Å; P365-M367 PolarHBondContact O-N 3.27Å; M367-A369 VanDerWaalsContact C-N 3.34Å; M367-A369 PolarHBondContact O-N 2.88Å; M367-N370 PolarHBondContact O-N 2.64Å; M367-V371 WeakPolarHBondContact O-CG2 3.41Å; M367-V371 PolarHBondContact O-N 3.22Å; M367-V371 VanDerWaalsContact O-N 3.08Å
368V98.9Very high98.9Very high0 Ų037.3 Ų37.30%018%0.176CC..Hα-helixtrans-66.8-35.5-178.871.20000112.2V47 F146 M150 M276 K364 P365 N370 V371 L372V47-V368 HydrophobicContact CG2-CG1 4.05Å; V47-V368 HydrophobicContact CG2-CG2 3.99Å; F146-V368 HydrophobicContact CE1-CG1 4.12Å; F146-V368 HydrophobicContact CZ-CG1 4.23Å; M150-V368 HydrophobicContact CB-CB 4.15Å; M150-V368 HydrophobicContact CB-CG2 3.86Å; M150-V368 HydrophobicContact CE-CB 3.96Å; M150-V368 HydrophobicContact CG-CB 3.7Å; M150-V368 HydrophobicContact CG-CG1 3.93Å; M150-V368 HydrophobicContact CG-CG2 3.85Å; M150-V368 HydrophobicContact SD-CB 4.42Å; M276-V368 HydrophobicContact CE-CB 4.45Å; M276-V368 HydrophobicContact CE-CG2 4.29Å; K364-V368 PolarHBondContact O-N 3.32Å; K364-V368 VanDerWaalsContact O-N 3.16Å; P365-V368 WeakPolarHBondContact O-CG1 3.49Å; V368-N370 PolarHBondContact O-N 3.2Å; V368-V371 PolarHBondContact O-N 2.63Å; V368-L372 HydrophobicContact CG2-CD1 3.74Å; V368-L372 HydrophobicContact CG2-CG 3.99Å; V368-L372 WeakPolarHBondContact O-CB 3.17Å; V368-L372 VanDerWaalsContact O-CG 3.31Å; V368-L372 WeakPolarHBondContact O-CG 3.4Å; V368-L372 PolarHBondContact O-N 2.85Å
369A98.9Very high98.9Very high10 Ų1028.7 Ų28.78%0.08314%0.138CC..Hα-helixtrans-61.1-45.4177.600000112.1P44 I95 P365 M367 Q373P44-A369 HydrophobicContact CG-CB 4.15Å; I95-A369 HydrophobicContact CD1-CB 3.59Å; I95-A369 HydrophobicContact CG1-CB 3.89Å; I95-A369 HydrophobicContact CG2-CB 3.92Å; P365-A369 VanDerWaalsContact O-CB 3.24Å; P365-A369 WeakPolarHBondContact O-CB 3.19Å; P365-A369 PolarHBondContact O-N 3.29Å; M367-A369 VanDerWaalsContact C-N 3.34Å; M367-A369 PolarHBondContact O-N 2.88Å; A369-Q373 VanDerWaalsContact O-CB 3.28Å; A369-Q373 WeakPolarHBondContact O-CB 3.3Å; A369-Q373 PolarHBondContact O-N 2.87Å
370N99Very high98.9Very high21 Ų2126.1 Ų26.111%0.11213%0.128CC..Hα-helixtrans-66.5-41.2177.2-81.4-84.6000112.1N345 V349 V366 M367 V368 S374N345-N370 HydrophobicContact CB-CB 4.1Å; N345-N370 VanDerWaalsContact CG-OD1 3.25Å; N345-N370 PolarHBondContact OD1-OD1 2.66Å; V349-N370 HydrophobicContact CG2-CB 3.54Å; V366-N370 WeakPolarHBondContact CG2-ND2 3.43Å; V366-N370 PolarHBondContact O-N 2.81Å; V366-N370 VanDerWaalsContact O-N 3.17Å; V366-N370 PolarHBondContact O-ND2 3.08Å; M367-N370 PolarHBondContact O-N 2.64Å; V368-N370 PolarHBondContact O-N 3.2Å; N370-S374 WeakPolarHBondContact O-CB 3.24Å; N370-S374 PolarHBondContact O-N 3.05Å; N370-S374 PolarHBondContact O-OG 3.29Å; N370-S374 VanDerWaalsContact O-OG 3.09Å
371V99Very high98.9Very high0 Ų025.3 Ų25.30%013%0.125CC..Hα-helixtrans-61.3-51.7176.2174.30000111T154 M276 V279 H280 V349 M367 V368 Q373 S374 I375T154-V371 HydrophobicContact CG2-CG1 3.68Å; M276-V371 HydrophobicContact CE-CB 3.78Å; M276-V371 HydrophobicContact CE-CG1 3.75Å; M276-V371 HydrophobicContact CE-CG2 3.63Å; V279-V371 HydrophobicContact CG1-CG1 4.05Å; H280-V371 HydrophobicContact CB-CG2 4.2Å; V349-V371 HydrophobicContact CG1-CG2 4.36Å; V349-V371 HydrophobicContact CG2-CG2 3.98Å; M367-V371 WeakPolarHBondContact O-CG2 3.41Å; M367-V371 PolarHBondContact O-N 3.22Å; M367-V371 VanDerWaalsContact O-N 3.08Å; V368-V371 PolarHBondContact O-N 2.63Å; V371-Q373 PolarHBondContact O-N 3.44Å; V371-S374 PolarHBondContact O-N 3.46Å; V371-I375 HydrophobicContact CG1-CD1 3.7Å; V371-I375 HydrophobicContact CG1-CG1 4.41Å; V371-I375 VanDerWaalsContact O-CG1 3.25Å; V371-I375 WeakPolarHBondContact O-CG1 3.19Å; V371-I375 PolarHBondContact O-N 3.43Å
372L99Very high98.9Very high9 Ų925.3 Ų25.35%0.04713%0.125CC..Hα-helixtrans-65-38.3-179.6-68.4174.5000112.2P44 P46 V47 E157 V368 I375 R376P44-L372 HydrophobicContact CB-CD1 3.85Å; P44-L372 HydrophobicContact CG-CD1 4.32Å; P46-L372 HydrophobicContact CB-CD1 4.14Å; P46-L372 HydrophobicContact CB-CD2 4.33Å; V47-L372 HydrophobicContact CG2-CD1 3.55Å; E157-L372 HydrophobicContact CB-CD2 4.21Å; E157-L372 HydrophobicContact CG-CD2 3.91Å; V368-L372 HydrophobicContact CG2-CD1 3.74Å; V368-L372 HydrophobicContact CG2-CG 3.99Å; V368-L372 WeakPolarHBondContact O-CB 3.17Å; V368-L372 VanDerWaalsContact O-CG 3.31Å; V368-L372 WeakPolarHBondContact O-CG 3.4Å; V368-L372 PolarHBondContact O-N 2.85Å; L372-I375 PolarHBondContact O-N 3.25Å; L372-R376 WeakPolarHBondContact O-CB 3.42Å; L372-R376 PolarHBondContact O-N 3.46Å
373Q98.9Very high98.9Very high89 Ų8927.6 Ų27.642%0.41613%0.127SC..Hα-helixtrans-61.3-48.6174.3-172.1-173.249.500110.8N345 A369 V371 I375 R376 L377N345-Q373 PolarHBondContact ND2-OE1 3.37Å; A369-Q373 VanDerWaalsContact O-CB 3.28Å; A369-Q373 WeakPolarHBondContact O-CB 3.3Å; A369-Q373 PolarHBondContact O-N 2.87Å; V371-Q373 PolarHBondContact O-N 3.44Å; Q373-I375 PolarHBondContact O-N 3.17Å; Q373-R376 PolarHBondContact O-N 2.94Å; Q373-L377 HydrophobicContact CG-CD1 3.88Å; Q373-L377 HydrophobicContact CG-CG 4.23Å; Q373-L377 WeakPolarHBondContact O-CB 3.1Å; Q373-L377 VanDerWaalsContact O-CG 3.27Å; Q373-L377 WeakPolarHBondContact O-CG 3.44Å; Q373-L377 PolarHBondContact O-N 3.46Å
374S99Very high98.9Very high0 Ų026 Ų260%012%0.124CC..Hα-helixtrans-61-44.2178.4-69.10000112.1H280 N345 N370 V371 R376 L377 I378H280-S374 WeakPolarHBondContact NE2-CB 3.32Å; H280-S374 PolarHBondContact NE2-OG 3.29Å; N345-S374 WeakPolarHBondContact CB-OG 3.16Å; N345-S374 PolarHBondContact ND2-OG 3.3Å; N345-S374 VanDerWaalsContact ND2-OG 3.11Å; N370-S374 WeakPolarHBondContact O-CB 3.24Å; N370-S374 PolarHBondContact O-N 3.05Å; N370-S374 PolarHBondContact O-OG 3.29Å; N370-S374 VanDerWaalsContact O-OG 3.09Å; V371-S374 PolarHBondContact O-N 3.46Å; S374-R376 PolarHBondContact O-N 2.87Å; S374-L377 PolarHBondContact O-N 3.5Å; S374-I378 WeakPolarHBondContact O-CB 3.39Å; S374-I378 VanDerWaalsContact O-CG1 3.27Å; S374-I378 WeakPolarHBondContact O-CG1 3.47Å; S374-I378 PolarHBondContact O-N 3.03Å
375I99Very high98.9Very high0 Ų026.1 Ų26.10%013%0.125CC..Hα-helixtrans-56-51.8175.1-71.7168.1000110.3T154 E157 I158 L162 L283 V371 L372 Q373 A379T154-I375 HydrophobicContact CG2-CD1 3.75Å; E157-I375 HydrophobicContact CB-CG2 3.78Å; I158-I375 HydrophobicContact CD1-CD1 4.34Å; I158-I375 HydrophobicContact CG1-CD1 3.85Å; I158-I375 HydrophobicContact CG1-CG1 4.39Å; L162-I375 HydrophobicContact CB-CG2 4.01Å; L162-I375 HydrophobicContact CD2-CG2 4.47Å; L283-I375 HydrophobicContact CD1-CD1 4.45Å; L283-I375 HydrophobicContact CD1-CG1 3.63Å; L283-I375 HydrophobicContact CD2-CG1 4.13Å; V371-I375 HydrophobicContact CG1-CD1 3.7Å; V371-I375 HydrophobicContact CG1-CG1 4.41Å; V371-I375 VanDerWaalsContact O-CG1 3.25Å; V371-I375 WeakPolarHBondContact O-CG1 3.19Å; V371-I375 PolarHBondContact O-N 3.43Å; L372-I375 PolarHBondContact O-N 3.25Å; Q373-I375 PolarHBondContact O-N 3.17Å; I375-A379 VanDerWaalsContact O-CB 3.31Å; I375-A379 WeakPolarHBondContact O-CB 3.47Å; I375-A379 PolarHBondContact O-N 2.76Å
376R98.9Very high98.9Very high131 Ų13126 Ų2649%0.49412%0.124SC..Hα-helixtrans-64.3-45.2-177-179.560.6-170.1-91.9-11112.4L372 Q373 S374 A379 D380L372-R376 WeakPolarHBondContact O-CB 3.42Å; L372-R376 PolarHBondContact O-N 3.46Å; Q373-R376 PolarHBondContact O-N 2.94Å; S374-R376 PolarHBondContact O-N 2.87Å; R376-A379 PolarHBondContact O-N 2.99Å; R376-D380 IonicContact CZ-OD2 3.16Å; R376-D380 VanDerWaalsContact CZ-OD2 3.31Å; R376-D380 IonicContact NE-OD1 2.69Å; R376-D380 PolarHBondContact NE-OD1 3.32Å; R376-D380 IonicContact NE-OD2 2.8Å; R376-D380 PolarHBondContact NE-OD2 3.29Å; R376-D380 IonicContact NH2-OD2 3.94Å; R376-D380 PolarHBondContact NH2-OD2 3.45Å; R376-D380 WeakPolarHBondContact O-CB 3.49Å; R376-D380 PolarHBondContact O-N 3.45Å
377L98.9Very high98.9Very high53 Ų5331.3 Ų31.328%0.27715%0.145SC..Hα-helixtrans-65.4-42.9-179.7-69.9178.2000112V338 Q341 Q373 S374 S381V338-L377 HydrophobicContact CG1-CB 3.71Å; V338-L377 HydrophobicContact CG2-CB 4.15Å; V338-L377 HydrophobicContact CG2-CD2 4.41Å; Q341-L377 HydrophobicContact CB-CD1 4.38Å; Q341-L377 HydrophobicContact CG-CD1 3.95Å; Q373-L377 HydrophobicContact CG-CD1 3.88Å; Q373-L377 HydrophobicContact CG-CG 4.23Å; Q373-L377 WeakPolarHBondContact O-CB 3.1Å; Q373-L377 VanDerWaalsContact O-CG 3.27Å; Q373-L377 WeakPolarHBondContact O-CG 3.44Å; Q373-L377 PolarHBondContact O-N 3.46Å; S374-L377 PolarHBondContact O-N 3.5Å; L377-S381 WeakPolarHBondContact O-CB 3.49Å; L377-S381 PolarHBondContact O-N 3.41Å; L377-S381 PolarHBondContact O-OG 3.08Å
378I99Very high98.9Very high2 Ų233.4 Ų33.41%0.0116%0.156CC..Hα-helixtrans-62.7-46.8175.7-69.5168.9000110L162 L166 L283 I286 M290 V342 S374 S381 A382L162-I378 HydrophobicContact CD1-CB 3.88Å; L162-I378 HydrophobicContact CD1-CG2 3.46Å; L162-I378 VanDerWaalsContact CD1-CG2 3.46Å; L166-I378 HydrophobicContact CD2-CG2 3.99Å; L283-I378 HydrophobicContact CB-CD1 3.94Å; L283-I378 HydrophobicContact CD2-CD1 4.03Å; I286-I378 HydrophobicContact CG2-CD1 4.49Å; I286-I378 HydrophobicContact CG2-CG2 3.99Å; M290-I378 HydrophobicContact SD-CG2 3.85Å; V342-I378 HydrophobicContact CG1-CD1 4.17Å; V342-I378 HydrophobicContact CG2-CD1 3.92Å; V342-I378 HydrophobicContact CG2-CG1 3.84Å; S374-I378 WeakPolarHBondContact O-CB 3.39Å; S374-I378 VanDerWaalsContact O-CG1 3.27Å; S374-I378 WeakPolarHBondContact O-CG1 3.47Å; S374-I378 PolarHBondContact O-N 3.03Å; I378-S381 PolarHBondContact O-OG 3.5Å; I378-S381 VanDerWaalsContact O-OG 3.1Å; I378-A382 WeakPolarHBondContact O-CB 3.46Å; I378-A382 PolarHBondContact O-N 3.42Å
379A98.9Very high98.9Very high0 Ų033.7 Ų33.70%016%0.158CC..Hα-helixtrans-60.8-50.5-179.800000112.2T161 L162 S165 I375 R376 A382 R383T161-A379 HydrophobicContact CG2-CB 3.57Å; L162-A379 HydrophobicContact CD1-CB 4.34Å; S165-A379 WeakPolarHBondContact CB-O 3.26Å; S165-A379 PolarHBondContact OG-O 3.29Å; I375-A379 VanDerWaalsContact O-CB 3.31Å; I375-A379 WeakPolarHBondContact O-CB 3.47Å; I375-A379 PolarHBondContact O-N 2.76Å; R376-A379 PolarHBondContact O-N 2.99Å; A379-A382 PolarHBondContact O-N 3.1Å; A379-R383 WeakPolarHBondContact O-CB 3.35Å; A379-R383 PolarHBondContact O-N 2.84Å
380D98.9Very high98.9Very high47 Ų4733.2 Ų33.225%0.25115%0.154SC..Hα-helixtrans-63.7-44.5-179.4-77.40.6000111.6R376 R383 S384R376-D380 IonicContact CZ-OD2 3.16Å; R376-D380 VanDerWaalsContact CZ-OD2 3.31Å; R376-D380 IonicContact NE-OD1 2.69Å; R376-D380 PolarHBondContact NE-OD1 3.32Å; R376-D380 IonicContact NE-OD2 2.8Å; R376-D380 PolarHBondContact NE-OD2 3.29Å; R376-D380 IonicContact NH2-OD2 3.94Å; R376-D380 PolarHBondContact NH2-OD2 3.45Å; R376-D380 WeakPolarHBondContact O-CB 3.49Å; R376-D380 PolarHBondContact O-N 3.45Å; D380-R383 PolarHBondContact O-N 3.3Å; D380-R383 IonicContact OD1-CZ 2.85Å; D380-R383 IonicContact OD1-NH2 2.95Å; D380-R383 PolarHBondContact OD1-NH2 3.03Å; D380-S384 VanDerWaalsContact O-CB 3.29Å; D380-S384 WeakPolarHBondContact O-CB 3.4Å; D380-S384 PolarHBondContact O-N 3.37Å
381S98.8Very high98.9Very high11 Ų1136.7 Ų36.78%0.07717%0.172CC..Hα-helixtrans-66.9-41.2178.264.90000112.2L377 I378 R383 S384 F385L377-S381 WeakPolarHBondContact O-CB 3.49Å; L377-S381 PolarHBondContact O-N 3.41Å; L377-S381 PolarHBondContact O-OG 3.08Å; I378-S381 PolarHBondContact O-OG 3.5Å; I378-S381 VanDerWaalsContact O-OG 3.1Å; S381-R383 PolarHBondContact O-N 3.36Å; S381-S384 PolarHBondContact O-N 2.86Å; S381-F385 WeakPolarHBondContact O-CB 3.47Å; S381-F385 PolarHBondContact O-N 3.13Å
382A98.9Very high98.9Very high0 Ų038.2 Ų38.20%019%0.187CC..Hα-helixtrans-61.5-45.4175.700000111.6L166 L169 M290 I378 A379 A386L166-A382 HydrophobicContact CD2-CB 4.16Å; L169-A382 HydrophobicContact CB-CB 4.22Å; L169-A382 HydrophobicContact CD2-CB 4Å; M290-A382 HydrophobicContact CE-CB 3.96Å; I378-A382 WeakPolarHBondContact O-CB 3.46Å; I378-A382 PolarHBondContact O-N 3.42Å; A379-A382 PolarHBondContact O-N 3.1Å; A382-A386 VanDerWaalsContact O-CB 3.24Å; A382-A386 WeakPolarHBondContact O-CB 3.38Å; A382-A386 PolarHBondContact O-N 2.95Å
383R98.7Very high98.9Very high106 Ų10637.8 Ų37.840%0.419%0.185SC..Hα-helixtrans-65.4-44.5177.8173.3169.550.2-172.1-6.5112.3A379 D380 S381 K387A379-R383 WeakPolarHBondContact O-CB 3.35Å; A379-R383 PolarHBondContact O-N 2.84Å; D380-R383 PolarHBondContact O-N 3.3Å; D380-R383 IonicContact OD1-CZ 2.85Å; D380-R383 IonicContact OD1-NH2 2.95Å; D380-R383 PolarHBondContact OD1-NH2 3.03Å; S381-R383 PolarHBondContact O-N 3.36Å; R383-K387 WeakPolarHBondContact O-CB 3.49Å; R383-K387 PolarHBondContact O-N 3.17Å; R383-K387 VanDerWaalsContact O-N 3.16Å
384S98.9Very high98.8Very high36 Ų3640 Ų4025%0.25219%0.193SC..Hα-helixtrans-65.8-47.3177.8-171.60000111.1Q331 D380 S381 A386 K387 N388Q331-S384 PolarHBondContact OE1-OG 3.45Å; D380-S384 VanDerWaalsContact O-CB 3.29Å; D380-S384 WeakPolarHBondContact O-CB 3.4Å; D380-S384 PolarHBondContact O-N 3.37Å; S381-S384 PolarHBondContact O-N 2.86Å; S384-A386 PolarHBondContact O-N 3.37Å; S384-K387 PolarHBondContact O-N 2.59Å; S384-N388 WeakPolarHBondContact O-CB 3.47Å; S384-N388 PolarHBondContact O-N 3.47Å; S384-N388 PolarHBondContact OG-ND2 3.21Å; S384-N388 VanDerWaalsContact OG-ND2 3.11Å
385F98.9Very high98.8Very high3 Ų340.8 Ų40.81%0.01320%0.2CC..Hα-helixtrans-62.2-42.2179.6-173-127.8000112.1L169 I293 A294 I297 Q331 V335 S381 C389 V390L169-F385 HydrophobicContact CD1-CD1 3.83Å; L169-F385 HydrophobicContact CD1-CE1 4.47Å; I293-F385 HydrophobicContact CG2-CE1 4.35Å; A294-F385 HydrophobicContact CB-CZ 4.45Å; I297-F385 HydrophobicContact CB-CZ 4.49Å; I297-F385 HydrophobicContact CD1-CE1 4.07Å; I297-F385 HydrophobicContact CD1-CZ 3.68Å; I297-F385 HydrophobicContact CG2-CZ 4.41Å; Q331-F385 HydrophobicContact CB-CD2 3.82Å; Q331-F385 HydrophobicContact CB-CE2 4.44Å; V335-F385 HydrophobicContact CG2-CB 3.7Å; V335-F385 HydrophobicContact CG2-CD1 4.26Å; V335-F385 HydrophobicContact CG2-CD2 4.06Å; V335-F385 HydrophobicContact CG2-CG 3.77Å; S381-F385 WeakPolarHBondContact O-CB 3.47Å; S381-F385 PolarHBondContact O-N 3.13Å; F385-C389 HydrophobicContact CD2-CB 3.68Å; F385-C389 HydrophobicContact CE2-CB 3.75Å; F385-C389 WeakPolarHBondContact O-CA 3.48Å; F385-C389 WeakPolarHBondContact O-CB 3.2Å; F385-C389 PolarHBondContact O-N 3.07Å; F385-V390 HydrophobicContact CD1-CG2 3.71Å; F385-V390 HydrophobicContact CE1-CG2 3.57Å; F385-V390 HydrophobicContact CE2-CG2 4.42Å; F385-V390 HydrophobicContact CG-CG2 4.2Å; F385-V390 HydrophobicContact CZ-CG2 3.96Å; F385-V390 PolarHBondContact O-N 2.85Å
386A98.9Very high98.8Very high0 Ų042.8 Ų42.80%021%0.211CC..Hα-helixtrans-58.7-50.6174.500000111.6K168 L169 A172 A382 S384 I391K168-A386 HydrophobicContact CG-CB 4.31Å; L169-A386 HydrophobicContact CB-CB 4.34Å; L169-A386 HydrophobicContact CD1-CB 4.13Å; A172-A386 HydrophobicContact CB-CB 4.22Å; A382-A386 VanDerWaalsContact O-CB 3.24Å; A382-A386 WeakPolarHBondContact O-CB 3.38Å; A382-A386 PolarHBondContact O-N 2.95Å; S384-A386 PolarHBondContact O-N 3.37Å; A386-I391 WeakPolarHBondContact O-CD1 3.08Å; A386-I391 VanDerWaalsContact O-CG1 3.23Å; A386-I391 WeakPolarHBondContact O-CG1 3.27Å; A386-I391 PolarHBondContact O-N 3.31Å; A386-I391 VanDerWaalsContact O-N 3.12Å
387K98.7Very high98.8Very high139 Ų13941.6 Ų41.660%0.60421%0.211SC*.Hα-helixtrans-69.9-50.8-175.6-176.5-171.6171.5-173.10112.9R383 S384R383-K387 WeakPolarHBondContact O-CB 3.49Å; R383-K387 PolarHBondContact O-N 3.17Å; R383-K387 VanDerWaalsContact O-N 3.16Å; S384-K387 PolarHBondContact O-N 2.59Å
388N98.8Very high98.8Very high44 Ų4447 Ų4724%0.23523%0.234CC..Hα-helixtrans-97.6-3.2-165.7-57.7-32.5000112.6N316 Q331 S384N316-N388 PolarHBondContact ND2-O 3.28Å; Q331-N388 HydrophobicContact CG-CB 3.92Å; S384-N388 WeakPolarHBondContact O-CB 3.47Å; S384-N388 PolarHBondContact O-N 3.47Å; S384-N388 PolarHBondContact OG-ND2 3.21Å; S384-N388 VanDerWaalsContact OG-ND2 3.11Å
389C98.8Very high98.7Very high6 Ų649.7 Ų49.74%0.04124%0.244CC..THydrogen-bonded Turntrans-134.1-71.3175.4-174.70000111.4Q331 F385 I391 G392 I393Q331-C389 HydrophobicContact CB-CB 3.94Å; Q331-C389 HydrophobicContact CG-CB 4.24Å; F385-C389 HydrophobicContact CD2-CB 3.68Å; F385-C389 HydrophobicContact CE2-CB 3.75Å; F385-C389 WeakPolarHBondContact O-CA 3.48Å; F385-C389 WeakPolarHBondContact O-CB 3.2Å; F385-C389 PolarHBondContact O-N 3.07Å; C389-I391 PolarHBondContact O-N 3.36Å; C389-G392 PolarHBondContact O-N 3.2Å; C389-I393 WeakPolarHBondContact O-CG1 3.45Å; C389-I393 PolarHBondContact O-N 3.12Å
390V98.9Very high98.7Very high0 Ų049.9 Ų49.90%025%0.245CC..G310 helixtrans-55.9-47.3-164.4179.40000113L169 A172 L173 K176 F385 G392 I393L169-V390 HydrophobicContact CD1-CG2 3.96Å; A172-V390 HydrophobicContact CB-CB 4.25Å; A172-V390 HydrophobicContact CB-CG1 3.8Å; L173-V390 HydrophobicContact CD2-CG1 3.86Å; L173-V390 HydrophobicContact CD2-CG2 4.41Å; L173-V390 HydrophobicContact CG-CG1 4.21Å; K176-V390 WeakPolarHBondContact CE-O 3.37Å; K176-V390 HydrophobicContact CG-CG1 4.27Å; K176-V390 WeakPolarHBondContact CG-O 3.23Å; F385-V390 HydrophobicContact CD1-CG2 3.71Å; F385-V390 HydrophobicContact CE1-CG2 3.57Å; F385-V390 HydrophobicContact CE2-CG2 4.42Å; F385-V390 HydrophobicContact CG-CG2 4.2Å; F385-V390 HydrophobicContact CZ-CG2 3.96Å; F385-V390 PolarHBondContact O-N 2.85Å; V390-G392 PolarHBondContact O-N 2.91Å; V390-I393 PolarHBondContact O-N 3.06Å
391I98.7Very high98.6Very high95 Ų9550.9 Ų50.949%0.48725%0.25SS..G310 helixtrans-60.6-34.3-178.8-70.6168.5000112A172 K176 A386 C389A172-I391 HydrophobicContact CB-CG1 3.85Å; K176-I391 WeakPolarHBondContact CE-O 3.38Å; K176-I391 PolarHBondContact NZ-O 3.29Å; K176-I391 VanDerWaalsContact NZ-O 3.12Å; A386-I391 WeakPolarHBondContact O-CD1 3.08Å; A386-I391 VanDerWaalsContact O-CG1 3.23Å; A386-I391 WeakPolarHBondContact O-CG1 3.27Å; A386-I391 PolarHBondContact O-N 3.31Å; A386-I391 VanDerWaalsContact O-N 3.12Å; C389-I391 PolarHBondContact O-N 3.36Å
392G98.6Very high98.5Very high32 Ų3255.6 Ų55.633%0.3327%0.27SS..G310 helixtrans-92.7-1-176.800000115.1C389 V390 K394C389-G392 PolarHBondContact O-N 3.2Å; V390-G392 PolarHBondContact O-N 2.91Å; G392-K394 PolarHBondContact O-N 3.38Å
393I98.8Very high98.3Very high0 Ų057.4 Ų57.40%028%0.279CS..  trans-57.5133.4177.1-66.5178.9000109.9K176 F180 F203 I297 L311 L313 C389 V390K176-I393 HydrophobicContact CD-CB 4.35Å; K176-I393 VanDerWaalsContact CE-O 3.26Å; K176-I393 WeakPolarHBondContact CE-O 3.36Å; K176-I393 PolarHBondContact NZ-O 2.95Å; F180-I393 HydrophobicContact CE2-CG2 3.93Å; F180-I393 HydrophobicContact CZ-CG2 3.95Å; F203-I393 HydrophobicContact CE1-CD1 4.2Å; F203-I393 HydrophobicContact CZ-CD1 4.1Å; F203-I393 HydrophobicContact CZ-CG2 4.37Å; I297-I393 HydrophobicContact CD1-CD1 4.07Å; I297-I393 HydrophobicContact CG1-CD1 4.4Å; I297-I393 HydrophobicContact CG2-CD1 3.93Å; L311-I393 HydrophobicContact CB-CG2 4.26Å; L311-I393 HydrophobicContact CD1-CG2 3.99Å; L311-I393 HydrophobicContact CD2-CG2 3.73Å; L311-I393 HydrophobicContact CG-CG2 4.2Å; L313-I393 HydrophobicContact CD2-CD1 4.26Å; L313-I393 HydrophobicContact CD2-CG1 3.91Å; C389-I393 WeakPolarHBondContact O-CG1 3.45Å; C389-I393 PolarHBondContact O-N 3.12Å; V390-I393 PolarHBondContact O-N 3.06Å
394K98.7Very high98.1Very high135 Ų13553.6 Ų53.659%0.58727%0.266SS*.EExtended strand (participates in β ladder)trans-119.5149.4168.6-62.3179.3-178.7178.30110.1L311 I312 G392L311-K394 CarbonylContact C-O 3.56Å; L311-K394 WeakPolarHBondContact CA-O 3.29Å; I312-K394 HydrophobicContact CB-CB 4.34Å; I312-K394 PolarHBondContact N-O 3.22Å; I312-K394 PolarHBondContact O-N 2.68Å; G392-K394 PolarHBondContact O-N 3.38Å
395A98.8Very high97.8Very high16 Ų1658.9 Ų58.913%0.13229%0.285CS..EExtended strand (participates in β ladder)trans-80.3136.5169.200000110.1F180 I183 L199 E397 I400F180-A395 HydrophobicContact CD1-CB 4.35Å; F180-A395 HydrophobicContact CE1-CB 4.17Å; I183-A395 HydrophobicContact CD1-CB 3.46Å; I183-A395 VanDerWaalsContact CD1-CB 3.46Å; I183-A395 HydrophobicContact CG2-CB 4.48Å; L199-A395 HydrophobicContact CD1-CB 3.8Å; A395-E397 VanDerWaalsContact C-N 3.27Å; A395-E397 HydrophobicContact CB-CG 4.16Å; A395-E397 PolarHBondContact O-N 2.93Å; A395-E397 VanDerWaalsContact O-N 3.14Å; A395-I400 HydrophobicContact CB-CD1 4.11Å
396N98.6Very high97.6Very high43 Ų4363.4 Ų63.423%0.2331%0.306CS..  trans-85.174.5168.5-170.4-15000109.1G309 E310 I312 E398 R399 I400G309-N396 VanDerWaalsContact O-CB 3.23Å; G309-N396 WeakPolarHBondContact O-CB 3.49Å; G309-N396 PolarHBondContact O-ND2 3.47Å; E310-N396 PolarHBondContact O-N 3.11Å; I312-N396 HydrophobicContact CD1-CB 4.16Å; I312-N396 HydrophobicContact CG1-CB 4.07Å; N396-E398 PolarHBondContact O-N 3.23Å; N396-R399 HydrophobicContact CB-CB 4Å; N396-R399 WeakPolarHBondContact ND2-CB 3.07Å; N396-R399 PolarHBondContact O-N 3.14Å; N396-R399 VanDerWaalsContact O-N 3.09Å; N396-R399 WeakPolarHBondContact OD1-CB 3.44Å; N396-R399 PolarHBondContact OD1-N 2.86Å; N396-I400 WeakPolarHBondContact O-CG1 3.26Å; N396-I400 PolarHBondContact O-N 3.41Å
397E98.4Very high97.5Very high106 Ų10663.6 Ų63.650%0.49531%0.307SS..Hα-helixtrans-58-33.7-174-69.5-174-13600112.9I183 A395 I400 N401I183-E397 HydrophobicContact CD1-CG 3.97Å; I183-E397 HydrophobicContact CG1-CG 4.45Å; I183-E397 HydrophobicContact CG2-CG 4.35Å; A395-E397 VanDerWaalsContact C-N 3.27Å; A395-E397 HydrophobicContact CB-CG 4.16Å; A395-E397 PolarHBondContact O-N 2.93Å; A395-E397 VanDerWaalsContact O-N 3.14Å; E397-I400 PolarHBondContact O-N 2.91Å; E397-N401 WeakPolarHBondContact O-CB 3.4Å; E397-N401 PolarHBondContact O-N 2.85Å; E397-N401 PolarHBondContact O-ND2 2.7Å
398E98.1Very high97.4Very high165 Ų16558.9 Ų58.977%0.77129%0.288SS*.Hα-helixtrans-61.4-50.6175-171.8-173.2161.500111.2N396 N401 K402N396-E398 PolarHBondContact O-N 3.23Å; E398-N401 PolarHBondContact O-N 3.38Å; E398-K402 WeakPolarHBondContact O-CB 3.49Å; E398-K402 PolarHBondContact O-N 3.22Å
399R98Very high97.3Very high60 Ų6059.6 Ų59.623%0.22629%0.291CS..Hα-helixtrans-61.9-45.8176.5-178.295.2177.9104.2-2.5111.4G307 L308 G309 N396 K402 L403G307-R399 PolarHBondContact O-NH2 2.93Å; L308-R399 PolarHBondContact O-NE 2.85Å; L308-R399 VanDerWaalsContact O-NE 3.07Å; G309-R399 WeakPolarHBondContact O-CG 3.47Å; N396-R399 HydrophobicContact CB-CB 4Å; N396-R399 WeakPolarHBondContact ND2-CB 3.07Å; N396-R399 PolarHBondContact O-N 3.14Å; N396-R399 VanDerWaalsContact O-N 3.09Å; N396-R399 WeakPolarHBondContact OD1-CB 3.44Å; N396-R399 PolarHBondContact OD1-N 2.86Å; R399-K402 PolarHBondContact O-N 3.22Å; R399-L403 HydrophobicContact CG-CD1 4.09Å; R399-L403 HydrophobicContact CG-CG 4.49Å; R399-L403 WeakPolarHBondContact O-CG 3.39Å; R399-L403 PolarHBondContact O-N 3.1Å
400I98.4Very high97.1Very high3 Ų359.7 Ų59.72%0.01529%0.291CS..Hα-helixtrans-60.7-48.7-179.5-69.2165.7000110.3I183 V184 K185 L199 E310 A395 N396 E397 K402 L403 M404I183-I400 HydrophobicContact CG2-CD1 3.91Å; I183-I400 HydrophobicContact CG2-CG2 4.26Å; V184-I400 WeakPolarHBondContact O-CG2 3.25Å; K185-I400 HydrophobicContact CB-CG2 3.99Å; L199-I400 HydrophobicContact CD1-CD1 3.62Å; E310-I400 HydrophobicContact CB-CD1 4.28Å; E310-I400 HydrophobicContact CB-CG1 4.06Å; E310-I400 HydrophobicContact CG-CG1 4.04Å; E310-I400 WeakPolarHBondContact O-CD1 3.29Å; A395-I400 HydrophobicContact CB-CD1 4.11Å; N396-I400 WeakPolarHBondContact O-CG1 3.26Å; N396-I400 PolarHBondContact O-N 3.41Å; E397-I400 PolarHBondContact O-N 2.91Å; I400-K402 VanDerWaalsContact C-N 3.31Å; I400-K402 PolarHBondContact O-N 3.19Å; I400-L403 PolarHBondContact O-N 3.38Å; I400-M404 VanDerWaalsContact O-CB 3.32Å; I400-M404 WeakPolarHBondContact O-CB 3.44Å; I400-M404 PolarHBondContact O-N 3.2Å
401N96.6Very high96.9Very high68 Ų6860.3 Ų60.336%0.36430%0.295SS..Hα-helixtrans-63.4-37.4179.1-76.1-40.4000112.2E397 E398 K405E397-N401 WeakPolarHBondContact O-CB 3.4Å; E397-N401 PolarHBondContact O-N 2.85Å; E397-N401 PolarHBondContact O-ND2 2.7Å; E398-N401 PolarHBondContact O-N 3.38Å; N401-K405 WeakPolarHBondContact O-CG 3.35Å; N401-K405 PolarHBondContact O-N 3.42Å; N401-K405 VanDerWaalsContact O-N 3.17Å
402K96.4Very high96.6Very high110 Ų11058.7 Ų58.748%0.47829%0.29SS..Hα-helixtrans-62.2-53173.5-179.8178.6176.9179.10111.2E398 R399 I400 M404 K405 E406E398-K402 WeakPolarHBondContact O-CB 3.49Å; E398-K402 PolarHBondContact O-N 3.22Å; R399-K402 PolarHBondContact O-N 3.22Å; I400-K402 VanDerWaalsContact C-N 3.31Å; I400-K402 PolarHBondContact O-N 3.19Å; K402-M404 VanDerWaalsContact C-N 3.27Å; K402-M404 PolarHBondContact O-N 3.08Å; K402-K405 PolarHBondContact O-N 3.28Å; K402-E406 WeakPolarHBondContact CE-OE1 3.46Å; K402-E406 WeakPolarHBondContact CE-OE2 3.38Å; K402-E406 WeakPolarHBondContact CG-OE1 3.41Å; K402-E406 IonicContact NZ-OE1 3.52Å; K402-E406 WeakPolarHBondContact O-CG 3.41Å; K402-E406 PolarHBondContact O-N 2.98Å
403L95.7Very high96.4Very high39 Ų3958 Ų5820%0.20428%0.28CS..Hα-helixtrans-60.3-38179.7-72175.2000112.2R399 I400 E406 S407R399-L403 HydrophobicContact CG-CD1 4.09Å; R399-L403 HydrophobicContact CG-CG 4.49Å; R399-L403 WeakPolarHBondContact O-CG 3.39Å; R399-L403 PolarHBondContact O-N 3.1Å; I400-L403 PolarHBondContact O-N 3.38Å; L403-E406 PolarHBondContact O-N 3.05Å; L403-S407 WeakPolarHBondContact O-CB 3.33Å; L403-S407 PolarHBondContact O-N 3.04Å
404M94.8Very high96.3Very high26 Ų2658 Ų5813%0.12828%0.28CS..Hα-helixtrans-63.7-42.5177.9-175.6-87.1-77.400111.7I400 K402 S407 L410 P458I400-M404 VanDerWaalsContact O-CB 3.32Å; I400-M404 WeakPolarHBondContact O-CB 3.44Å; I400-M404 PolarHBondContact O-N 3.2Å; K402-M404 VanDerWaalsContact C-N 3.27Å; K402-M404 PolarHBondContact O-N 3.08Å; M404-S407 PolarHBondContact O-N 2.86Å; M404-L410 HydrophobicContact CG-CD1 4.3Å; M404-L410 WeakPolarHBondContact O-CD1 3.47Å; M404-L410 HydrophobicContact SD-CD1 3.67Å; M404-P458 HydrophobicContact CE-CB 4.41Å; M404-P458 HydrophobicContact CE-CG 3.77Å; M404-P458 HydrophobicContact CG-CG 4.37Å; M404-P458 HydrophobicContact SD-CB 4.16Å; M404-P458 HydrophobicContact SD-CG 3.37Å; M404-P458 WeakPolarHBondContact SD-CG 3.4Å
405K91.5Very high96.1Very high147 Ų14754.1 Ų54.164%0.63927%0.266SS*.Hα-helixtrans-70-31.4176.3-70.1174.5-176.2179.70113.6N401 K402N401-K405 WeakPolarHBondContact O-CG 3.35Å; N401-K405 PolarHBondContact O-N 3.42Å; N401-K405 VanDerWaalsContact O-N 3.17Å; K402-K405 PolarHBondContact O-N 3.28Å
406E95.1Very high95.8Very high98 Ų9858.6 Ų58.646%0.45829%0.294SS..Hα-helixtrans-83.4-12.8179.3-70.1173.5174.700112.8K402 L403K402-E406 WeakPolarHBondContact CE-OE1 3.46Å; K402-E406 WeakPolarHBondContact CE-OE2 3.38Å; K402-E406 WeakPolarHBondContact CG-OE1 3.41Å; K402-E406 IonicContact NZ-OE1 3.52Å; K402-E406 WeakPolarHBondContact O-CG 3.41Å; K402-E406 PolarHBondContact O-N 2.98Å; L403-E406 PolarHBondContact O-N 3.05Å
407S96.3Very high95.7Very high4 Ų461 Ų613%0.02830%0.304CS..  trans-71.7144.6-177.1-172.30000113.3I186 L403 M404 M409 L437I186-S407 VanDerWaalsContact CD1-CB 3.49Å; I186-S407 WeakPolarHBondContact CD1-OG 3.21Å; L403-S407 WeakPolarHBondContact O-CB 3.33Å; L403-S407 PolarHBondContact O-N 3.04Å; M404-S407 PolarHBondContact O-N 2.86Å; S407-M409 VanDerWaalsContact C-N 3.34Å; S407-M409 PolarHBondContact OG-N 3.32Å; S407-L437 VanDerWaalsContact O-CD1 3.32Å; S407-L437 WeakPolarHBondContact O-CD1 3.34Å
408L97.3Very high95.7Very high39 Ų3957.1 Ų57.120%0.20429%0.286CS..SBendtrans-83.3-8.9173.8-57.3-179.2000113.3V411 A430 H431 L437L408-V411 WeakPolarHBondContact O-CB 3.47Å; L408-V411 WeakPolarHBondContact O-CG1 3.5Å; L408-V411 PolarHBondContact O-N 2.83Å; L408-A430 HydrophobicContact CD2-CB 3.65Å; L408-H431 HydrophobicContact CD1-CB 3.77Å; L408-L437 HydrophobicContact CD2-CD2 3.85Å; L408-L437 HydrophobicContact CD2-CG 4.26Å
409M96Very high95.6Very high59 Ų5950.8 Ų50.829%0.29127%0.265SS..G310 helixtrans-77.6-23.6-170.5-63.9-61.390.500114.4D193 A194 S407 V411 T412D193-M409 HydrophobicContact CB-CG 3.78Å; D193-M409 HydrophobicContact CB-SD 4.5Å; D193-M409 VanDerWaalsContact O-SD 3.36Å; A194-M409 VanDerWaalsContact O-CB 3.29Å; A194-M409 WeakPolarHBondContact O-CB 3.48Å; A194-M409 WeakPolarHBondContact O-CG 3.44Å; S407-M409 VanDerWaalsContact C-N 3.34Å; S407-M409 PolarHBondContact OG-N 3.32Å; M409-V411 PolarHBondContact O-N 3.15Å; M409-T412 PolarHBondContact O-OG1 3.34Å
410L95Very high95.6Very high9 Ų955.9 Ų55.95%0.04729%0.285CS..G310 helixtrans-69.2-11.8177.3-55.4-177.2000113P196 M404 T412 A413 L437 V456 P458 M461P196-L410 HydrophobicContact CG-CD2 3.43Å; P196-L410 VanDerWaalsContact CG-CD2 3.43Å; M404-L410 HydrophobicContact CG-CD1 4.3Å; M404-L410 WeakPolarHBondContact O-CD1 3.47Å; M404-L410 HydrophobicContact SD-CD1 3.67Å; L410-T412 PolarHBondContact O-N 3.14Å; L410-T412 VanDerWaalsContact O-N 3.11Å; L410-A413 WeakPolarHBondContact O-CB 3.22Å; L410-A413 PolarHBondContact O-N 3.06Å; L410-L437 HydrophobicContact CB-CD1 4.09Å; L410-V456 HydrophobicContact CB-CG1 3.62Å; L410-V456 HydrophobicContact CD1-CG1 4.23Å; L410-P458 HydrophobicContact CD1-CG 4.15Å; L410-P458 HydrophobicContact CD2-CG 4.44Å; L410-M461 HydrophobicContact CD2-CE 4.47Å; L410-M461 HydrophobicContact CD2-SD 3.91Å
411V95.7Very high95.5Very high13 Ų1362 Ų628%0.07932%0.319CS..G310 helixtrans-58.5-27.3179.278.70000112.5L408 M409 A413 L414 A423 I426 A427 L437L408-V411 WeakPolarHBondContact O-CB 3.47Å; L408-V411 WeakPolarHBondContact O-CG1 3.5Å; L408-V411 PolarHBondContact O-N 2.83Å; M409-V411 PolarHBondContact O-N 3.15Å; V411-A413 PolarHBondContact O-N 2.96Å; V411-L414 HydrophobicContact CG2-CD1 4.1Å; V411-L414 VanDerWaalsContact O-CB 3.24Å; V411-L414 WeakPolarHBondContact O-CB 3.23Å; V411-L414 PolarHBondContact O-N 3.49Å; V411-A423 HydrophobicContact CG2-CB 4.13Å; V411-A423 VanDerWaalsContact CG2-O 3.23Å; V411-A423 WeakPolarHBondContact CG2-O 3.21Å; V411-I426 HydrophobicContact CG2-CB 4.37Å; V411-I426 HydrophobicContact CG2-CG2 4.35Å; V411-A427 HydrophobicContact CB-CB 4.43Å; V411-A427 HydrophobicContact CG1-CB 4.1Å; V411-A427 HydrophobicContact CG2-CB 4.18Å; V411-L437 HydrophobicContact CB-CD1 3.8Å; V411-L437 HydrophobicContact CB-CD2 3.86Å; V411-L437 HydrophobicContact CB-CG 4.48Å; V411-L437 HydrophobicContact CG2-CD2 3.95Å; V411-L437 VanDerWaalsContact N-CD1 3.32Å
412T92.9Very high95.6Very high61 Ų6163.5 Ų63.537%0.37432%0.322SS..G310 helixtrans-62.8-2517953.60000113M409 L410 L414 N415 M461M409-T412 PolarHBondContact O-OG1 3.34Å; L410-T412 PolarHBondContact O-N 3.14Å; L410-T412 VanDerWaalsContact O-N 3.11Å; T412-L414 PolarHBondContact O-N 3.5Å; T412-N415 PolarHBondContact O-N 2.94Å; T412-M461 WeakPolarHBondContact OG1-CE 3.42Å
413A94.3Very high95.6Very high16 Ų1658.3 Ų58.313%0.13230%0.299CS..G310 helixtrans-63.8-21.7171.900000112.6L410 V411 P416 H417 V456 M461L410-A413 WeakPolarHBondContact O-CB 3.22Å; L410-A413 PolarHBondContact O-N 3.06Å; V411-A413 PolarHBondContact O-N 2.96Å; A413-P416 WeakPolarHBondContact O-CD 3.29Å; A413-H417 PolarHBondContact O-CD2 3.43Å; A413-H417 VanDerWaalsContact O-CD2 3.3Å; A413-V456 HydrophobicContact CB-CG1 4.39Å; A413-V456 HydrophobicContact CB-CG2 4.34Å; A413-M461 HydrophobicContact CB-CE 4.04Å; A413-M461 HydrophobicContact CB-SD 3.86Å
414L95.2Very high95.7Very high0 Ų057.6 Ų57.60%030%0.299CS..G310 helixtrans-81-20.9179.9-59.2177.5000112.9V411 T412 P416 H417 I418 A423 I426 L447 F452 W455 V456V411-L414 HydrophobicContact CG2-CD1 4.1Å; V411-L414 VanDerWaalsContact O-CB 3.24Å; V411-L414 WeakPolarHBondContact O-CB 3.23Å; V411-L414 PolarHBondContact O-N 3.49Å; T412-L414 PolarHBondContact O-N 3.5Å; L414-P416 VanDerWaalsContact C-CD 3.45Å; L414-H417 PolarHBondContact O-N 2.99Å; L414-I418 HydrophobicContact CB-CD1 3.82Å; L414-I418 HydrophobicContact CB-CG1 3.97Å; L414-I418 HydrophobicContact CD1-CD1 4.1Å; L414-I418 HydrophobicContact CG-CD1 4.5Å; L414-I418 WeakPolarHBondContact O-CG1 3.42Å; L414-I418 PolarHBondContact O-N 3.24Å; L414-A423 HydrophobicContact CB-CB 4.27Å; L414-I426 HydrophobicContact CD1-CD1 3.8Å; L414-L447 HydrophobicContact CD1-CD2 4.12Å; L414-L447 HydrophobicContact CD2-CD2 3.76Å; L414-F452 HydrophobicContact CD1-CE2 4.29Å; L414-F452 HydrophobicContact CD2-CD2 4.5Å; L414-W455 HydrophobicContact CD2-CB 4.37Å; L414-W455 HydrophobicContact CD2-CE3 4.11Å; L414-V456 HydrophobicContact CD2-CG2 3.41Å; L414-V456 VanDerWaalsContact CD2-CG2 3.41Å; L414-V456 HydrophobicContact CG-CG2 3.93Å
415N94.4Very high95.8Very high54 Ų5462 Ų6229%0.28932%0.317SS..Hα-helixtrans-52.4-44.6-174.2-66.818.3000113.4T412 H417 G419 A423T412-N415 PolarHBondContact O-N 2.94Å; N415-H417 PolarHBondContact O-N 3.02Å; N415-G419 VanDerWaalsContact O-CA 3.25Å; N415-G419 WeakPolarHBondContact O-CA 3.34Å; N415-G419 PolarHBondContact O-N 3.25Å; N415-A423 WeakPolarHBondContact OD1-CB 3.27Å
416P94Very high96.2Very high110 Ų11055 Ų5571%0.71429%0.287SS*.Hα-helixtrans-68.5-17.5178.6-18.733.7000114.3A413 L414A413-P416 WeakPolarHBondContact O-CD 3.29Å; L414-P416 VanDerWaalsContact C-CD 3.45Å
417H96.1Very high96.3Very high95 Ų9551.3 Ų51.344%0.4427%0.273SS..Hα-helixtrans-101.7-37.2-173.8-58.7-73.9000113A413 L414 N415 W455A413-H417 PolarHBondContact O-CD2 3.43Å; A413-H417 VanDerWaalsContact O-CD2 3.3Å; L414-H417 PolarHBondContact O-N 2.99Å; N415-H417 PolarHBondContact O-N 3.02Å; H417-W455 HydrophobicContact CB-CD2 3.82Å; H417-W455 HydrophobicContact CB-CE3 3.59Å; H417-W455 HydrophobicContact CB-CG 4.46Å; H417-W455 HydrophobicContact CB-CH2 4.18Å; H417-W455 HydrophobicContact CB-CZ2 4.39Å; H417-W455 HydrophobicContact CB-CZ3 3.79Å; H417-W455 AromaticContact CD2-CD2 3.99Å; H417-W455 AromaticContact CD2-CG 3.72Å; H417-W455 AromaticContact CE1-CD1 3.76Å; H417-W455 AromaticContact CE1-CG 3.94Å; H417-W455 AromaticContact CG-CD2 3.63Å; H417-W455 AromaticContact CG-CE3 3.91Å; H417-W455 AromaticContact CG-CG 3.79Å; H417-W455 AromaticContact ND1-CD1 3.89Å; H417-W455 AromaticContact ND1-CD2 3.92Å; H417-W455 AromaticContact ND1-CE2 3.91Å; H417-W455 AromaticContact ND1-CG 3.93Å; H417-W455 AromaticContact ND1-NE1 3.89Å; H417-W455 AromaticContact NE2-CG 3.84Å
418I97.2Very high96.3Very high23 Ų2358.7 Ų58.712%0.11830%0.304CS..Hα-helixtrans-125.1-3.5-174.469.4176.7000113.9L414 K422 A423 I426 L447 W455L414-I418 HydrophobicContact CB-CD1 3.82Å; L414-I418 HydrophobicContact CB-CG1 3.97Å; L414-I418 HydrophobicContact CD1-CD1 4.1Å; L414-I418 HydrophobicContact CG-CD1 4.5Å; L414-I418 WeakPolarHBondContact O-CG1 3.42Å; L414-I418 PolarHBondContact O-N 3.24Å; I418-K422 HydrophobicContact CB-CB 4.19Å; I418-K422 HydrophobicContact CB-CD 4.17Å; I418-K422 HydrophobicContact CD1-CB 3.84Å; I418-K422 HydrophobicContact CG1-CB 3.92Å; I418-K422 WeakPolarHBondContact O-CD 3.46Å; I418-A423 HydrophobicContact CD1-CB 4.46Å; I418-I426 HydrophobicContact CD1-CD1 3.57Å; I418-L447 HydrophobicContact CD1-CD2 4.23Å; I418-L447 HydrophobicContact CG2-CD2 4.38Å; I418-W455 HydrophobicContact CG2-CH2 4.44Å; I418-W455 HydrophobicContact CG2-CZ3 3.76Å
419G96.6Very high96.4Very high33 Ų3358.5 Ų58.534%0.3430%0.303SS..  trans81.1159.3-175.600000113.8N415 D421 A423N415-G419 VanDerWaalsContact O-CA 3.25Å; N415-G419 WeakPolarHBondContact O-CA 3.34Å; N415-G419 PolarHBondContact O-N 3.25Å; G419-D421 PolarHBondContact O-N 2.87Å; G419-A423 PolarHBondContact O-N 2.9Å
420Y97.3Very high96.5Very high166 Ų16655.8 Ų55.865%0.65129%0.29SS*.Hα-helixtrans-58.4-47.8-174.7179.2-87.8000113.1K422 A423 A424Y420-K422 VanDerWaalsContact C-N 3.33Å; Y420-K422 PolarHBondContact O-N 3.34Å; Y420-A423 PolarHBondContact O-N 3.48Å; Y420-A424 HydrophobicContact CD1-CB 4.47Å; Y420-A424 HydrophobicContact CE1-CB 4.15Å; Y420-A424 WeakPolarHBondContact O-CB 3.08Å; Y420-A424 PolarHBondContact O-N 3.38Å
421D97.4Very high96.6Very high133 Ų13362.2 Ų62.271%0.71132%0.32SS*.Hα-helixtrans-63.8-38.4-173.2-67.1-38.6000112.8G419 K425G419-D421 PolarHBondContact O-N 2.87Å; D421-K425 WeakPolarHBondContact O-CB 3.39Å; D421-K425 PolarHBondContact O-N 3.28Å
422K98Very high96.7Very high99 Ų9969.9 Ų69.943%0.4335%0.352SS..Hα-helixtrans-68.7-44.4176.2-68.6-171.5-174.2170.50111.1I418 Y420 K425 I426 F446I418-K422 HydrophobicContact CB-CB 4.19Å; I418-K422 HydrophobicContact CB-CD 4.17Å; I418-K422 HydrophobicContact CD1-CB 3.84Å; I418-K422 HydrophobicContact CG1-CB 3.92Å; I418-K422 WeakPolarHBondContact O-CD 3.46Å; Y420-K422 VanDerWaalsContact C-N 3.33Å; Y420-K422 PolarHBondContact O-N 3.34Å; K422-K425 PolarHBondContact O-N 2.98Å; K422-I426 WeakPolarHBondContact O-CG1 3.3Å; K422-I426 PolarHBondContact O-N 3.48Å; K422-F446 HydrophobicContact CB-CD2 3.81Å; K422-F446 HydrophobicContact CB-CE2 3.81Å; K422-F446 HydrophobicContact CD-CD1 4.44Å; K422-F446 HydrophobicContact CD-CD2 4.36Å; K422-F446 HydrophobicContact CD-CE2 4.5Å; K422-F446 HydrophobicContact CD-CG 4.32Å; K422-F446 HydrophobicContact CG-CD2 4.18Å; K422-F446 HydrophobicContact CG-CE2 3.96Å; K422-F446 HydrophobicContact CG-CZ 4.18Å
423A97.4Very high96.9Very high1 Ų170 Ų701%0.00835%0.351CS..Hα-helixtrans-59.3-46.9175.400000111.6V411 L414 N415 I418 G419 Y420 K425 I426 A427V411-A423 HydrophobicContact CG2-CB 4.13Å; V411-A423 VanDerWaalsContact CG2-O 3.23Å; V411-A423 WeakPolarHBondContact CG2-O 3.21Å; L414-A423 HydrophobicContact CB-CB 4.27Å; N415-A423 WeakPolarHBondContact OD1-CB 3.27Å; I418-A423 HydrophobicContact CD1-CB 4.46Å; G419-A423 PolarHBondContact O-N 2.9Å; Y420-A423 PolarHBondContact O-N 3.48Å; A423-K425 VanDerWaalsContact C-N 3.32Å; A423-K425 PolarHBondContact O-N 3.33Å; A423-I426 WeakPolarHBondContact O-CB 3.32Å; A423-I426 PolarHBondContact O-N 2.87Å; A423-A427 PolarHBondContact O-N 3.46Å
424A97.2Very high97Very high23 Ų2372.6 Ų72.619%0.1938%0.379CS..Hα-helixtrans-61.4-38.4176.900000112.4Y420 A427 K428Y420-A424 HydrophobicContact CD1-CB 4.47Å; Y420-A424 HydrophobicContact CE1-CB 4.15Å; Y420-A424 WeakPolarHBondContact O-CB 3.08Å; Y420-A424 PolarHBondContact O-N 3.38Å; A424-A427 PolarHBondContact O-N 2.87Å; A424-K428 WeakPolarHBondContact O-CB 3.28Å; A424-K428 VanDerWaalsContact O-CG 3.31Å; A424-K428 WeakPolarHBondContact O-CG 3.35Å; A424-K428 PolarHBondContact O-N 3.37Å
425K97.8Very high97.1Very high120 Ų12074.8 Ų74.852%0.52239%0.393SS..Hα-helixtrans-66.8-37.3176.2-167.7175.1-177.4-178.90112.3D421 K422 A423 L429 L444 F446D421-K425 WeakPolarHBondContact O-CB 3.39Å; D421-K425 PolarHBondContact O-N 3.28Å; K422-K425 PolarHBondContact O-N 2.98Å; A423-K425 VanDerWaalsContact C-N 3.32Å; A423-K425 PolarHBondContact O-N 3.33Å; K425-L429 WeakPolarHBondContact O-CB 3.4Å; K425-L429 PolarHBondContact O-N 3.41Å; K425-L444 HydrophobicContact CG-CD1 4.24Å; K425-F446 HydrophobicContact CB-CE2 4.27Å; K425-F446 HydrophobicContact CD-CE2 4.17Å; K425-F446 HydrophobicContact CD-CZ 4.01Å
426I98.2Very high97.2Very high0 Ų073.9 Ų73.90%039%0.389CS..Hα-helixtrans-60.5-51.6172.1-67.1165.7000110.1V411 L414 I418 K422 A423 K428 L429 A430 L437 A440 A441 L444 F446V411-I426 HydrophobicContact CG2-CB 4.37Å; V411-I426 HydrophobicContact CG2-CG2 4.35Å; L414-I426 HydrophobicContact CD1-CD1 3.8Å; I418-I426 HydrophobicContact CD1-CD1 3.57Å; K422-I426 WeakPolarHBondContact O-CG1 3.3Å; K422-I426 PolarHBondContact O-N 3.48Å; A423-I426 WeakPolarHBondContact O-CB 3.32Å; A423-I426 PolarHBondContact O-N 2.87Å; I426-K428 PolarHBondContact O-N 2.92Å; I426-L429 PolarHBondContact O-N 2.87Å; I426-A430 WeakPolarHBondContact O-CB 3.29Å; I426-A430 PolarHBondContact O-N 3.37Å; I426-L437 HydrophobicContact CG2-CB 4.49Å; I426-L437 HydrophobicContact CG2-CD2 4.04Å; I426-L437 WeakPolarHBondContact CG2-O 3.29Å; I426-A440 HydrophobicContact CG2-CB 4.08Å; I426-A441 HydrophobicContact CD1-CB 3.73Å; I426-A441 HydrophobicContact CG1-CB 4.15Å; I426-A441 HydrophobicContact CG2-CB 4.1Å; I426-L444 HydrophobicContact CG1-CD1 3.92Å; I426-F446 HydrophobicContact CD1-CB 4.41Å; I426-F446 HydrophobicContact CD1-CD2 3.99Å; I426-F446 HydrophobicContact CG1-CD2 3.85Å; I426-F446 HydrophobicContact CG1-CE2 4.47Å
427A97.3Very high97.3Very high20 Ų2068.9 Ų68.917%0.16536%0.356CS..Hα-helixtrans-60.2-44-179.500000112.5V411 A423 A424 L429 A430 H431 L437V411-A427 HydrophobicContact CB-CB 4.43Å; V411-A427 HydrophobicContact CG1-CB 4.1Å; V411-A427 HydrophobicContact CG2-CB 4.18Å; A423-A427 PolarHBondContact O-N 3.46Å; A424-A427 PolarHBondContact O-N 2.87Å; A427-L429 PolarHBondContact O-N 3.2Å; A427-A430 PolarHBondContact O-N 3.5Å; A427-H431 WeakPolarHBondContact O-CB 3.42Å; A427-H431 PolarHBondContact O-N 2.92Å; A427-L437 HydrophobicContact CB-CD2 4.43Å
428K97.6Very high97.4Very high158 Ų15867.1 Ų67.169%0.68735%0.347SS*.Hα-helixtrans-61.8-41.9176.7-75.4175.4179.7178.40112.1A424 I426 K432A424-K428 WeakPolarHBondContact O-CB 3.28Å; A424-K428 VanDerWaalsContact O-CG 3.31Å; A424-K428 WeakPolarHBondContact O-CG 3.35Å; A424-K428 PolarHBondContact O-N 3.37Å; I426-K428 PolarHBondContact O-N 2.92Å; K428-K432 WeakPolarHBondContact O-CB 3.47Å; K428-K432 PolarHBondContact O-N 3.22Å
429L98.1Very high97.3Very high35 Ų3571 Ų7118%0.18337%0.365CS..Hα-helixtrans-68.6-47178.4-175.865.5000111.4K425 I426 A427 H431 K432 D433 A440 K443 L444K425-L429 WeakPolarHBondContact O-CB 3.4Å; K425-L429 PolarHBondContact O-N 3.41Å; I426-L429 PolarHBondContact O-N 2.87Å; A427-L429 PolarHBondContact O-N 3.2Å; L429-H431 VanDerWaalsContact C-N 3.29Å; L429-H431 PolarHBondContact O-N 2.94Å; L429-K432 PolarHBondContact O-N 3.38Å; L429-D433 WeakPolarHBondContact CD1-OD2 3.24Å; L429-D433 WeakPolarHBondContact O-CB 3.41Å; L429-D433 PolarHBondContact O-N 3.19Å; L429-A440 HydrophobicContact CB-CB 4.42Å; L429-A440 HydrophobicContact CD2-CB 4.35Å; L429-A440 HydrophobicContact CG-CB 4.44Å; L429-K443 HydrophobicContact CD2-CD 4.37Å; L429-L444 HydrophobicContact CB-CD1 4.36Å; L429-L444 HydrophobicContact CD2-CD1 3.8Å; L429-L444 HydrophobicContact CD2-CD2 3.84Å; L429-L444 HydrophobicContact CD2-CG 3.55Å
430A98Very high97.4Very high2 Ų269.5 Ų69.52%0.01735%0.349CS..Hα-helixtrans-55.8-45.1177.400000111.6L408 I426 A427 G434 T435 L437 A440L408-A430 HydrophobicContact CD2-CB 3.65Å; I426-A430 WeakPolarHBondContact O-CB 3.29Å; I426-A430 PolarHBondContact O-N 3.37Å; A427-A430 PolarHBondContact O-N 3.5Å; A430-G434 WeakPolarHBondContact O-CA 3.31Å; A430-G434 PolarHBondContact O-N 3.28Å; A430-T435 WeakPolarHBondContact CB-O 3.22Å; A430-T435 PolarHBondContact O-N 2.89Å; A430-T435 VanDerWaalsContact O-N 3.08Å; A430-L437 HydrophobicContact CB-CD2 4.19Å; A430-A440 HydrophobicContact CB-CB 3.76Å
431H97.8Very high97.4Very high145 Ų14561.6 Ų61.667%0.67132%0.318SS*.Hα-helixtrans-62.5-47.4175.8-176.159.8000112.8L408 A427 L429 D433L408-H431 HydrophobicContact CD1-CB 3.77Å; A427-H431 WeakPolarHBondContact O-CB 3.42Å; A427-H431 PolarHBondContact O-N 2.92Å; L429-H431 VanDerWaalsContact C-N 3.29Å; L429-H431 PolarHBondContact O-N 2.94Å; H431-D433 PolarHBondContact O-N 3.15Å
432K97.6Very high97.4Very high174 Ų17458.9 Ų58.976%0.75730%0.303SS*.Hα-helixtrans-62.7-42.5-178.7-179.2-176.9173.8-176.50112.2K428 L429K428-K432 WeakPolarHBondContact O-CB 3.47Å; K428-K432 PolarHBondContact O-N 3.22Å; L429-K432 PolarHBondContact O-N 3.38Å
433D97.7Very high97.3Very high63 Ų6361.1 Ų61.134%0.33731%0.313SS..Hα-helixtrans-91.1-8.8-173.5-69.86000112.4L429 H431 T435 K443L429-D433 WeakPolarHBondContact CD1-OD2 3.24Å; L429-D433 WeakPolarHBondContact O-CB 3.41Å; L429-D433 PolarHBondContact O-N 3.19Å; H431-D433 PolarHBondContact O-N 3.15Å; D433-T435 VanDerWaalsContact C-N 3.32Å; D433-T435 HydrophobicContact CB-CG2 4.03Å; D433-K443 IonicContact OD2-NZ 3.51Å; D433-K443 PolarHBondContact OD2-NZ 3.33Å
434G96.3Very high97.3Very high71 Ų7163.4 Ų63.473%0.73233%0.325SS*.THydrogen-bonded Turntrans69.127.3-176.900000113.8A430A430-G434 WeakPolarHBondContact O-CA 3.31Å; A430-G434 PolarHBondContact O-N 3.28Å
435T96.8Very high97.3Very high46 Ų4665.3 Ų65.328%0.28235%0.347SS..  trans-104.9169.2-178.264.80000111.6A430 D433 E439A430-T435 WeakPolarHBondContact CB-O 3.22Å; A430-T435 PolarHBondContact O-N 2.89Å; A430-T435 VanDerWaalsContact O-N 3.08Å; D433-T435 VanDerWaalsContact C-N 3.32Å; D433-T435 HydrophobicContact CB-CG2 4.03Å; T435-E439 WeakPolarHBondContact CB-OE2 3.41Å
436T96.5Very high97.3Very high35 Ų3562.2 Ų62.222%0.21533%0.333CS..  trans-70.4162.3171.165.30000112.2K438 E439 A440T436-K438 VanDerWaalsContact C-N 3.27Å; T436-K438 PolarHBondContact O-N 3.35Å; T436-E439 WeakPolarHBondContact CB-OE2 3.32Å; T436-E439 PolarHBondContact N-OE2 2.85Å; T436-E439 PolarHBondContact O-N 3.34Å; T436-E439 WeakPolarHBondContact OG1-CB 3.43Å; T436-E439 VanDerWaalsContact OG1-CG 3.24Å; T436-E439 WeakPolarHBondContact OG1-CG 3.45Å; T436-E439 PolarHBondContact OG1-N 2.71Å; T436-E439 PolarHBondContact OG1-OE2 2.93Å; T436-A440 PolarHBondContact O-N 3.02Å
437L97.2Very high97.2Very high4 Ų462.8 Ų62.82%0.02134%0.336CS..Hα-helixtrans-59.1-38.6172.7-69.2175.7000112.4S407 L408 L410 V411 I426 A427 A430 A440 A441 F452S407-L437 VanDerWaalsContact O-CD1 3.32Å; S407-L437 WeakPolarHBondContact O-CD1 3.34Å; L408-L437 HydrophobicContact CD2-CD2 3.85Å; L408-L437 HydrophobicContact CD2-CG 4.26Å; L410-L437 HydrophobicContact CB-CD1 4.09Å; V411-L437 HydrophobicContact CB-CD1 3.8Å; V411-L437 HydrophobicContact CB-CD2 3.86Å; V411-L437 HydrophobicContact CB-CG 4.48Å; V411-L437 HydrophobicContact CG2-CD2 3.95Å; V411-L437 VanDerWaalsContact N-CD1 3.32Å; I426-L437 HydrophobicContact CG2-CB 4.49Å; I426-L437 HydrophobicContact CG2-CD2 4.04Å; I426-L437 WeakPolarHBondContact CG2-O 3.29Å; A427-L437 HydrophobicContact CB-CD2 4.43Å; A430-L437 HydrophobicContact CB-CD2 4.19Å; L437-A440 PolarHBondContact O-N 3.1Å; L437-A441 VanDerWaalsContact O-CB 3.25Å; L437-A441 WeakPolarHBondContact O-CB 3.3Å; L437-A441 PolarHBondContact O-N 2.92Å; L437-F452 HydrophobicContact CB-CE2 3.93Å; L437-F452 HydrophobicContact CB-CZ 3.81Å
438K96.7Very high97.2Very high59 Ų5963.8 Ų63.826%0.25734%0.342SS..Hα-helixtrans-63.8-48.2179.9-173.4172.2-175.7170.40111.1T436 A440 A441 L442 F452 D453T436-K438 VanDerWaalsContact C-N 3.27Å; T436-K438 PolarHBondContact O-N 3.35Å; K438-A440 PolarHBondContact O-N 2.77Å; K438-A441 PolarHBondContact O-N 3.48Å; K438-L442 HydrophobicContact CG-CD1 4.18Å; K438-L442 WeakPolarHBondContact O-CB 3.49Å; K438-L442 VanDerWaalsContact O-CG 3.28Å; K438-L442 WeakPolarHBondContact O-CG 3.3Å; K438-L442 PolarHBondContact O-N 3.06Å; K438-F452 HydrophobicContact CB-CD1 3.87Å; K438-F452 HydrophobicContact CB-CD2 4.23Å; K438-F452 HydrophobicContact CB-CE1 3.84Å; K438-F452 HydrophobicContact CB-CE2 4.19Å; K438-F452 HydrophobicContact CB-CG 4.07Å; K438-F452 HydrophobicContact CB-CZ 4Å; K438-F452 HydrophobicContact CD-CD1 3.95Å; K438-F452 HydrophobicContact CD-CG 4.36Å; K438-F452 HydrophobicContact CG-CB 4.2Å; K438-F452 HydrophobicContact CG-CD1 3.87Å; K438-F452 HydrophobicContact CG-CD2 4.41Å; K438-F452 HydrophobicContact CG-CE1 4.36Å; K438-F452 HydrophobicContact CG-CG 3.89Å; K438-D453 IonicContact NZ-OD1 2.71Å; K438-D453 PolarHBondContact NZ-OD1 3.47Å; K438-D453 IonicContact NZ-OD2 3.53Å; K438-D453 PolarHBondContact NZ-OD2 3.26Å
439E96.8Very high97.2Very high105 Ų10557.4 Ų57.449%0.49132%0.319SS..Hα-helixtrans-62-44.2177.5-70.7161.7151.500111.8T435 T436 A441 L442 K443T435-E439 WeakPolarHBondContact CB-OE2 3.41Å; T436-E439 WeakPolarHBondContact CB-OE2 3.32Å; T436-E439 PolarHBondContact N-OE2 2.85Å; T436-E439 PolarHBondContact O-N 3.34Å; T436-E439 WeakPolarHBondContact OG1-CB 3.43Å; T436-E439 VanDerWaalsContact OG1-CG 3.24Å; T436-E439 WeakPolarHBondContact OG1-CG 3.45Å; T436-E439 PolarHBondContact OG1-N 2.71Å; T436-E439 PolarHBondContact OG1-OE2 2.93Å; E439-A441 PolarHBondContact O-N 2.97Å; E439-L442 PolarHBondContact O-N 3.21Å; E439-K443 VanDerWaalsContact O-CB 3.31Å; E439-K443 WeakPolarHBondContact O-CB 3.19Å; E439-K443 PolarHBondContact O-N 2.74Å
440A97.6Very high97.1Very high0 Ų062 Ų620%034%0.339CS..Hα-helixtrans-64.9-38.9177.700000112.5I426 L429 A430 T436 L437 K438 K443 L444I426-A440 HydrophobicContact CG2-CB 4.08Å; L429-A440 HydrophobicContact CB-CB 4.42Å; L429-A440 HydrophobicContact CD2-CB 4.35Å; L429-A440 HydrophobicContact CG-CB 4.44Å; A430-A440 HydrophobicContact CB-CB 3.76Å; T436-A440 PolarHBondContact O-N 3.02Å; L437-A440 PolarHBondContact O-N 3.1Å; K438-A440 PolarHBondContact O-N 2.77Å; A440-K443 PolarHBondContact O-N 3.07Å; A440-L444 WeakPolarHBondContact O-CB 3.41Å; A440-L444 WeakPolarHBondContact O-CG 3.21Å; A440-L444 PolarHBondContact O-N 2.98Å
441A97.7Very high97.1Very high0 Ų065.3 Ų65.30%035%0.354CS..Hα-helixtrans-65.7-41.5177.700000112.5I426 L437 K438 E439 G445 F446 L447 F452I426-A441 HydrophobicContact CD1-CB 3.73Å; I426-A441 HydrophobicContact CG1-CB 4.15Å; I426-A441 HydrophobicContact CG2-CB 4.1Å; L437-A441 VanDerWaalsContact O-CB 3.25Å; L437-A441 WeakPolarHBondContact O-CB 3.3Å; L437-A441 PolarHBondContact O-N 2.92Å; K438-A441 PolarHBondContact O-N 3.48Å; E439-A441 PolarHBondContact O-N 2.97Å; A441-G445 PolarHBondContact O-N 3.39Å; A441-F446 PolarHBondContact O-N 3.35Å; A441-L447 HydrophobicContact CB-CD1 3.72Å; A441-L447 HydrophobicContact CB-CD2 4.24Å; A441-L447 HydrophobicContact CB-CG 3.92Å; A441-F452 HydrophobicContact CB-CD2 4.34Å
442L97.1Very high97.1Very high77 Ų7759.4 Ų59.440%0.40333%0.327SS..Hα-helixtrans-64.9-46.5174.1-72169.4000111.6K438 E439 L444 G445 A449K438-L442 HydrophobicContact CG-CD1 4.18Å; K438-L442 WeakPolarHBondContact O-CB 3.49Å; K438-L442 VanDerWaalsContact O-CG 3.28Å; K438-L442 WeakPolarHBondContact O-CG 3.3Å; K438-L442 PolarHBondContact O-N 3.06Å; E439-L442 PolarHBondContact O-N 3.21Å; L442-L444 VanDerWaalsContact C-N 3.26Å; L442-L444 PolarHBondContact O-N 3.34Å; L442-G445 PolarHBondContact O-N 2.83Å; L442-A449 HydrophobicContact CD1-CB 4.37Å; L442-A449 HydrophobicContact CD2-CB 4.21Å
443K96.8Very high97Very high146 Ų14655.3 Ų55.364%0.63531%0.314SS*.Hα-helixtrans-60.8-34.6178.7-175.1176.6177.7-177.10112.5L429 D433 E439 A440 G445L429-K443 HydrophobicContact CD2-CD 4.37Å; D433-K443 IonicContact OD2-NZ 3.51Å; D433-K443 PolarHBondContact OD2-NZ 3.33Å; E439-K443 VanDerWaalsContact O-CB 3.31Å; E439-K443 WeakPolarHBondContact O-CB 3.19Å; E439-K443 PolarHBondContact O-N 2.74Å; A440-K443 PolarHBondContact O-N 3.07Å; K443-G445 VanDerWaalsContact C-N 3.31Å
444L97.4Very high96.9Very high48 Ų4858.8 Ų58.825%0.25133%0.328SS..THydrogen-bonded Turntrans-79.9-10.5175.2-73.3170.5000113.7K425 I426 L429 A440 L442 F446K425-L444 HydrophobicContact CG-CD1 4.24Å; I426-L444 HydrophobicContact CG1-CD1 3.92Å; L429-L444 HydrophobicContact CB-CD1 4.36Å; L429-L444 HydrophobicContact CD2-CD1 3.8Å; L429-L444 HydrophobicContact CD2-CD2 3.84Å; L429-L444 HydrophobicContact CD2-CG 3.55Å; A440-L444 WeakPolarHBondContact O-CB 3.41Å; A440-L444 WeakPolarHBondContact O-CG 3.21Å; A440-L444 PolarHBondContact O-N 2.98Å; L442-L444 VanDerWaalsContact C-N 3.26Å; L442-L444 PolarHBondContact O-N 3.34Å; L444-F446 HydrophobicContact CB-CD1 4.17Å; L444-F446 HydrophobicContact CB-CD2 4Å; L444-F446 HydrophobicContact CB-CE1 4.35Å; L444-F446 HydrophobicContact CB-CE2 4.17Å; L444-F446 HydrophobicContact CB-CG 4.01Å; L444-F446 HydrophobicContact CB-CZ 4.35Å; L444-F446 HydrophobicContact CD1-CD2 4.14Å; L444-F446 HydrophobicContact CD1-CE2 3.91Å; L444-F446 WeakPolarHBondContact O-CD1 3.41Å; L444-F446 PolarHBondContact O-N 3.48Å
445G96.9Very high96.8Very high64 Ų6457.9 Ų57.966%0.6630%0.302SS*.THydrogen-bonded Turntrans65.525.4-177.100000113.7A441 L442 K443A441-G445 PolarHBondContact O-N 3.39Å; L442-G445 PolarHBondContact O-N 2.83Å; K443-G445 VanDerWaalsContact C-N 3.31Å
446F97.2Very high96.8Very high54 Ų5456.3 Ų56.324%0.23729%0.293CS..SBendtrans-83.6-22.1-177.3-72.7-9.5000113.8K422 K425 I426 A441 L444K422-F446 HydrophobicContact CB-CD2 3.81Å; K422-F446 HydrophobicContact CB-CE2 3.81Å; K422-F446 HydrophobicContact CD-CD1 4.44Å; K422-F446 HydrophobicContact CD-CD2 4.36Å; K422-F446 HydrophobicContact CD-CE2 4.5Å; K422-F446 HydrophobicContact CD-CG 4.32Å; K422-F446 HydrophobicContact CG-CD2 4.18Å; K422-F446 HydrophobicContact CG-CE2 3.96Å; K422-F446 HydrophobicContact CG-CZ 4.18Å; K425-F446 HydrophobicContact CB-CE2 4.27Å; K425-F446 HydrophobicContact CD-CE2 4.17Å; K425-F446 HydrophobicContact CD-CZ 4.01Å; I426-F446 HydrophobicContact CD1-CB 4.41Å; I426-F446 HydrophobicContact CD1-CD2 3.99Å; I426-F446 HydrophobicContact CG1-CD2 3.85Å; I426-F446 HydrophobicContact CG1-CE2 4.47Å; A441-F446 PolarHBondContact O-N 3.35Å; L444-F446 HydrophobicContact CB-CD1 4.17Å; L444-F446 HydrophobicContact CB-CD2 4Å; L444-F446 HydrophobicContact CB-CE1 4.35Å; L444-F446 HydrophobicContact CB-CE2 4.17Å; L444-F446 HydrophobicContact CB-CG 4.01Å; L444-F446 HydrophobicContact CB-CZ 4.35Å; L444-F446 HydrophobicContact CD1-CD2 4.14Å; L444-F446 HydrophobicContact CD1-CE2 3.91Å; L444-F446 WeakPolarHBondContact O-CD1 3.41Å; L444-F446 PolarHBondContact O-N 3.48Å
447L96.5Very high96.6Very high12 Ų1260.1 Ų60.16%0.06330%0.303CS..SBendtrans-164.1161179.552.986.5000110.3L414 I418 A441 Q451 F452 W455L414-L447 HydrophobicContact CD1-CD2 4.12Å; L414-L447 HydrophobicContact CD2-CD2 3.76Å; I418-L447 HydrophobicContact CD1-CD2 4.23Å; I418-L447 HydrophobicContact CG2-CD2 4.38Å; A441-L447 HydrophobicContact CB-CD1 3.72Å; A441-L447 HydrophobicContact CB-CD2 4.24Å; A441-L447 HydrophobicContact CB-CG 3.92Å; L447-Q451 HydrophobicContact CB-CB 4.07Å; L447-F452 HydrophobicContact CD1-CB 3.64Å; L447-F452 HydrophobicContact CD1-CD2 3.91Å; L447-F452 HydrophobicContact CD1-CG 4.28Å; L447-W455 HydrophobicContact CB-CH2 4.43Å; L447-W455 HydrophobicContact CB-CZ3 3.84Å; L447-W455 HydrophobicContact CD2-CE3 4.08Å; L447-W455 HydrophobicContact CD2-CZ3 3.89Å; L447-W455 HydrophobicContact CG-CZ3 4.5Å
448S97.1Very high96.5Very high41 Ų4160.5 Ų60.529%0.28731%0.306SS..  trans-83.5170.2174.387.10000112.5E450 Q451 F452S448-E450 VanDerWaalsContact C-N 3.29Å; S448-E450 VanDerWaalsContact CB-OE2 3.24Å; S448-E450 WeakPolarHBondContact CB-OE2 3.22Å; S448-E450 PolarHBondContact O-N 3.48Å; S448-E450 PolarHBondContact OG-N 2.98Å; S448-E450 PolarHBondContact OG-OE2 3.14Å; S448-Q451 PolarHBondContact O-N 2.91Å; S448-Q451 PolarHBondContact OG-N 2.9Å; S448-F452 PolarHBondContact O-N 3.37Å
449A96.6Very high96.2Very high24 Ų2461.8 Ų61.820%0.19831%0.313CS..Hα-helixtrans-64.5-38.8178.800000111L442 F452 D453L442-A449 HydrophobicContact CD1-CB 4.37Å; L442-A449 HydrophobicContact CD2-CB 4.21Å; A449-F452 WeakPolarHBondContact O-CB 3.47Å; A449-F452 PolarHBondContact O-N 3.22Å; A449-D453 VanDerWaalsContact O-CG 3.29Å; A449-D453 PolarHBondContact O-N 2.89Å
450E97.2Very high96Very high131 Ų13161.9 Ų61.961%0.61231%0.313SS*.Hα-helixtrans-66.8-41.5178.2-55.970.7-15200111S448 F452 D453 Q454S448-E450 VanDerWaalsContact C-N 3.29Å; S448-E450 VanDerWaalsContact CB-OE2 3.24Å; S448-E450 WeakPolarHBondContact CB-OE2 3.22Å; S448-E450 PolarHBondContact O-N 3.48Å; S448-E450 PolarHBondContact OG-N 2.98Å; S448-E450 PolarHBondContact OG-OE2 3.14Å; E450-F452 VanDerWaalsContact C-N 3.34Å; E450-D453 PolarHBondContact O-N 3.02Å; E450-Q454 WeakPolarHBondContact O-CB 3.38Å; E450-Q454 PolarHBondContact O-N 3.27Å
451Q97.3Very high95.9Very high72 Ų7264 Ų6434%0.33632%0.323SS..Hα-helixtrans-62.3-42.1174.3-74.1177.7-36.900111.4L447 S448 Q454 W455L447-Q451 HydrophobicContact CB-CB 4.07Å; S448-Q451 PolarHBondContact O-N 2.91Å; S448-Q451 PolarHBondContact OG-N 2.9Å; Q451-Q454 PolarHBondContact O-N 3.39Å; Q451-W455 HydrophobicContact CB-CD2 4.22Å; Q451-W455 HydrophobicContact CB-CE3 4.17Å; Q451-W455 HydrophobicContact CB-CH2 3.84Å; Q451-W455 HydrophobicContact CB-CZ2 3.87Å; Q451-W455 HydrophobicContact CB-CZ3 3.99Å; Q451-W455 HydrophobicContact CG-CH2 3.92Å; Q451-W455 HydrophobicContact CG-CZ2 3.76Å; Q451-W455 WeakPolarHBondContact O-CB 3.41Å; Q451-W455 VanDerWaalsContact O-CD2 3.3Å; Q451-W455 PolarHBondContact O-N 3.23Å
452F97.2Very high95.7Very high21 Ų2166.3 Ų66.39%0.09234%0.336CS..Hα-helixtrans-59.5-49.4175.8-166.4-86.1000111.2L414 L437 K438 A441 L447 S448 A449 E450 Q454 W455 V456L414-F452 HydrophobicContact CD1-CE2 4.29Å; L414-F452 HydrophobicContact CD2-CD2 4.5Å; L437-F452 HydrophobicContact CB-CE2 3.93Å; L437-F452 HydrophobicContact CB-CZ 3.81Å; K438-F452 HydrophobicContact CB-CD1 3.87Å; K438-F452 HydrophobicContact CB-CD2 4.23Å; K438-F452 HydrophobicContact CB-CE1 3.84Å; K438-F452 HydrophobicContact CB-CE2 4.19Å; K438-F452 HydrophobicContact CB-CG 4.07Å; K438-F452 HydrophobicContact CB-CZ 4Å; K438-F452 HydrophobicContact CD-CD1 3.95Å; K438-F452 HydrophobicContact CD-CG 4.36Å; K438-F452 HydrophobicContact CG-CB 4.2Å; K438-F452 HydrophobicContact CG-CD1 3.87Å; K438-F452 HydrophobicContact CG-CD2 4.41Å; K438-F452 HydrophobicContact CG-CE1 4.36Å; K438-F452 HydrophobicContact CG-CG 3.89Å; A441-F452 HydrophobicContact CB-CD2 4.34Å; L447-F452 HydrophobicContact CD1-CB 3.64Å; L447-F452 HydrophobicContact CD1-CD2 3.91Å; L447-F452 HydrophobicContact CD1-CG 4.28Å; S448-F452 PolarHBondContact O-N 3.37Å; A449-F452 WeakPolarHBondContact O-CB 3.47Å; A449-F452 PolarHBondContact O-N 3.22Å; E450-F452 VanDerWaalsContact C-N 3.34Å; F452-Q454 VanDerWaalsContact C-N 3.27Å; F452-Q454 PolarHBondContact O-N 3.44Å; F452-W455 PolarHBondContact O-N 3.46Å; F452-V456 HydrophobicContact CD1-CB 4.13Å; F452-V456 HydrophobicContact CD1-CG2 4.16Å; F452-V456 HydrophobicContact CD2-CG2 4Å; F452-V456 HydrophobicContact CE1-CB 3.81Å; F452-V456 HydrophobicContact CE1-CG1 4.06Å; F452-V456 HydrophobicContact CE1-CG2 3.96Å; F452-V456 HydrophobicContact CE2-CG2 3.82Å; F452-V456 HydrophobicContact CG-CG2 4.19Å; F452-V456 HydrophobicContact CZ-CB 4.05Å; F452-V456 HydrophobicContact CZ-CG1 4.07Å; F452-V456 HydrophobicContact CZ-CG2 3.79Å; F452-V456 WeakPolarHBondContact O-CB 3.25Å; F452-V456 PolarHBondContact O-N 3.26Å
453D95.6Very high95.5Very high89 Ų8965 Ų6548%0.47634%0.341SS..Hα-helixtrans-66.6-30.1-177.9-65-24000112.3K438 A449 E450K438-D453 IonicContact NZ-OD1 2.71Å; K438-D453 PolarHBondContact NZ-OD1 3.47Å; K438-D453 IonicContact NZ-OD2 3.53Å; K438-D453 PolarHBondContact NZ-OD2 3.26Å; A449-D453 VanDerWaalsContact O-CG 3.29Å; A449-D453 PolarHBondContact O-N 2.89Å; E450-D453 PolarHBondContact O-N 3.02Å
454Q95.6Very high95.2Very high136 Ų13664.7 Ų64.764%0.63635%0.354SS*.Hα-helixtrans-74.8-39.1175.6-171.7-178.6900112.6E450 Q451 F452E450-Q454 WeakPolarHBondContact O-CB 3.38Å; E450-Q454 PolarHBondContact O-N 3.27Å; Q451-Q454 PolarHBondContact O-N 3.39Å; F452-Q454 VanDerWaalsContact C-N 3.27Å; F452-Q454 PolarHBondContact O-N 3.44Å
455W95.6Very high94.5Very high52 Ų5274.1 Ų74.120%0.19739%0.393CS..Hα-helixtrans-91.6-34.6-171.8-58.6-16.8000113.2L414 H417 I418 L447 Q451 F452 R457L414-W455 HydrophobicContact CD2-CB 4.37Å; L414-W455 HydrophobicContact CD2-CE3 4.11Å; H417-W455 HydrophobicContact CB-CD2 3.82Å; H417-W455 HydrophobicContact CB-CE3 3.59Å; H417-W455 HydrophobicContact CB-CG 4.46Å; H417-W455 HydrophobicContact CB-CH2 4.18Å; H417-W455 HydrophobicContact CB-CZ2 4.39Å; H417-W455 HydrophobicContact CB-CZ3 3.79Å; H417-W455 AromaticContact CD2-CD2 3.99Å; H417-W455 AromaticContact CD2-CG 3.72Å; H417-W455 AromaticContact CE1-CD1 3.76Å; H417-W455 AromaticContact CE1-CG 3.94Å; H417-W455 AromaticContact CG-CD2 3.63Å; H417-W455 AromaticContact CG-CE3 3.91Å; H417-W455 AromaticContact CG-CG 3.79Å; H417-W455 AromaticContact ND1-CD1 3.89Å; H417-W455 AromaticContact ND1-CD2 3.92Å; H417-W455 AromaticContact ND1-CE2 3.91Å; H417-W455 AromaticContact ND1-CG 3.93Å; H417-W455 AromaticContact ND1-NE1 3.89Å; H417-W455 AromaticContact NE2-CG 3.84Å; I418-W455 HydrophobicContact CG2-CH2 4.44Å; I418-W455 HydrophobicContact CG2-CZ3 3.76Å; L447-W455 HydrophobicContact CB-CH2 4.43Å; L447-W455 HydrophobicContact CB-CZ3 3.84Å; L447-W455 HydrophobicContact CD2-CE3 4.08Å; L447-W455 HydrophobicContact CD2-CZ3 3.89Å; L447-W455 HydrophobicContact CG-CZ3 4.5Å; Q451-W455 HydrophobicContact CB-CD2 4.22Å; Q451-W455 HydrophobicContact CB-CE3 4.17Å; Q451-W455 HydrophobicContact CB-CH2 3.84Å; Q451-W455 HydrophobicContact CB-CZ2 3.87Å; Q451-W455 HydrophobicContact CB-CZ3 3.99Å; Q451-W455 HydrophobicContact CG-CH2 3.92Å; Q451-W455 HydrophobicContact CG-CZ2 3.76Å; Q451-W455 WeakPolarHBondContact O-CB 3.41Å; Q451-W455 VanDerWaalsContact O-CD2 3.3Å; Q451-W455 PolarHBondContact O-N 3.23Å; F452-W455 PolarHBondContact O-N 3.46Å; W455-R457 PolarHBondContact O-N 3.25Å
456V95.3Very high94.3Very high13 Ų1374.7 Ų74.78%0.07938%0.379CS..  trans-97.680.9-175.9-170.30000109.5L410 A413 L414 F452 P458L410-V456 HydrophobicContact CB-CG1 3.62Å; L410-V456 HydrophobicContact CD1-CG1 4.23Å; A413-V456 HydrophobicContact CB-CG1 4.39Å; A413-V456 HydrophobicContact CB-CG2 4.34Å; L414-V456 HydrophobicContact CD2-CG2 3.41Å; L414-V456 VanDerWaalsContact CD2-CG2 3.41Å; L414-V456 HydrophobicContact CG-CG2 3.93Å; F452-V456 HydrophobicContact CD1-CB 4.13Å; F452-V456 HydrophobicContact CD1-CG2 4.16Å; F452-V456 HydrophobicContact CD2-CG2 4Å; F452-V456 HydrophobicContact CE1-CB 3.81Å; F452-V456 HydrophobicContact CE1-CG1 4.06Å; F452-V456 HydrophobicContact CE1-CG2 3.96Å; F452-V456 HydrophobicContact CE2-CG2 3.82Å; F452-V456 HydrophobicContact CG-CG2 4.19Å; F452-V456 HydrophobicContact CZ-CB 4.05Å; F452-V456 HydrophobicContact CZ-CG1 4.07Å; F452-V456 HydrophobicContact CZ-CG2 3.79Å; F452-V456 WeakPolarHBondContact O-CB 3.25Å; F452-V456 PolarHBondContact O-N 3.26Å; V456-P458 WeakPolarHBondContact O-CD 3.45Å
457R94Very high94.2Very high114 Ų11475.7 Ų75.743%0.4339%0.387SS..  trans-113.896.7-176.8-71.1-141.462.3-175.8-6.4110.9W455 E459 Q460W455-R457 PolarHBondContact O-N 3.25Å; R457-E459 VanDerWaalsContact C-N 3.29Å; R457-E459 VanDerWaalsContact CB-OE1 3.32Å; R457-E459 WeakPolarHBondContact CB-OE1 3.25Å; R457-E459 IonicContact CZ-OE1 2.7Å; R457-E459 IonicContact NE-OE1 2.82Å; R457-E459 PolarHBondContact NE-OE1 3.26Å; R457-E459 IonicContact NH2-OE1 3.69Å; R457-E459 PolarHBondContact NH2-OE1 3.23Å; R457-E459 PolarHBondContact O-N 3.07Å; R457-Q460 HydrophobicContact CB-CB 4.22Å; R457-Q460 HydrophobicContact CB-CG 3.96Å; R457-Q460 WeakPolarHBondContact O-CA 3.21Å; R457-Q460 WeakPolarHBondContact O-CB 3.27Å; R457-Q460 PolarHBondContact O-N 2.93Å
458P93.3Very high94.1Very high13 Ų1379.3 Ų79.38%0.08441%0.405CS..G310 helixtrans-54.7-38.8-172.4-25.832.2000114.4V184 M404 L410 V456 Q460 M461V184-P458 HydrophobicContact CG1-CB 3.93Å; M404-P458 HydrophobicContact CE-CB 4.41Å; M404-P458 HydrophobicContact CE-CG 3.77Å; M404-P458 HydrophobicContact CG-CG 4.37Å; M404-P458 HydrophobicContact SD-CB 4.16Å; M404-P458 HydrophobicContact SD-CG 3.37Å; M404-P458 WeakPolarHBondContact SD-CG 3.4Å; L410-P458 HydrophobicContact CD1-CG 4.15Å; L410-P458 HydrophobicContact CD2-CG 4.44Å; V456-P458 WeakPolarHBondContact O-CD 3.45Å; P458-Q460 PolarHBondContact O-N 3.26Å; P458-M461 WeakPolarHBondContact O-CB 3.19Å; P458-M461 PolarHBondContact O-N 3.27Å
459E91.7Very high93.9Very high85 Ų8581.5 Ų81.540%0.39741%0.412SS..G310 helixtrans-67.2-12.8176.367.5-66.5154.100114R457R457-E459 VanDerWaalsContact C-N 3.29Å; R457-E459 VanDerWaalsContact CB-OE1 3.32Å; R457-E459 WeakPolarHBondContact CB-OE1 3.25Å; R457-E459 IonicContact CZ-OE1 2.7Å; R457-E459 IonicContact NE-OE1 2.82Å; R457-E459 PolarHBondContact NE-OE1 3.26Å; R457-E459 IonicContact NH2-OE1 3.69Å; R457-E459 PolarHBondContact NH2-OE1 3.23Å; R457-E459 PolarHBondContact O-N 3.07Å
460Q93.4Very high93.7Very high107 Ų10785.1 Ų85.150%0.543%0.425SS..G310 helixtrans-953.7170-58.3-170.9-1.700113.2R457 P458R457-Q460 HydrophobicContact CB-CB 4.22Å; R457-Q460 HydrophobicContact CB-CG 3.96Å; R457-Q460 WeakPolarHBondContact O-CA 3.21Å; R457-Q460 WeakPolarHBondContact O-CB 3.27Å; R457-Q460 PolarHBondContact O-N 2.93Å; P458-Q460 PolarHBondContact O-N 3.26Å
461M93.9Very high93.5Very high44 Ų4482.1 Ų82.122%0.21741%0.413CS..SBendtrans-107.622.9179.9-57.7178.670.800112.6P196 L410 T412 A413 P458P196-M461 HydrophobicContact CG-CB 4.36Å; P196-M461 HydrophobicContact CG-SD 4.42Å; L410-M461 HydrophobicContact CD2-CE 4.47Å; L410-M461 HydrophobicContact CD2-SD 3.91Å; T412-M461 WeakPolarHBondContact OG1-CE 3.42Å; A413-M461 HydrophobicContact CB-CE 4.04Å; A413-M461 HydrophobicContact CB-SD 3.86Å; P458-M461 WeakPolarHBondContact O-CB 3.19Å; P458-M461 PolarHBondContact O-N 3.27Å
462L94.9Very high93.2Very high50 Ų5082.8 Ų82.826%0.26242%0.418SS..SBendtrans-107.88.5-169.7-56.4180000114.8V184 P196 Q201V184-L462 HydrophobicContact CG1-CD2 4.04Å; V184-L462 HydrophobicContact CG2-CD1 3.83Å; V184-L462 HydrophobicContact CG2-CD2 4.46Å; P196-L462 HydrophobicContact CB-CD2 4.12Å; Q201-L462 PolarHBondContact NE2-O 2.59Å
463G92.5Very high92.9Very high50 Ų5087.5 Ų87.552%0.51544%0.443SS..SBendtrans-175.1173.3-177.500000113.6
464P90.9Very high92.7Very high138 Ų13887.4 Ų87.490%0.89644%0.441SS*.  trans-64.6155.5175.528.9-34.4000111.5
465K81.4Confident92.4Very high247 Ų24783 Ų83100%1.07442%0.423SS*.  trans-108.50173.5-69.2-168.1178.2-174.70111.1

Retrieved 465 of 465 residues in 142.9 ms (Link to these results)

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