A0A077ZBR7_TRITR Loading...

Aspartate ammonia-lyase

AlphaFold DB (P0AC38), UniProt , Accession A0A077ZBR7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 478 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
1M44.2Very low83.5Confident227 Ų227104.7 Ų104.7100%1.11855%0.55SS**  0127.30-66.1176.3-169.600105.6N3M1-N3 PolarHBondContact O-N 3.46Å
2S49.2Very low84.6Confident118 Ų118107.2 Ų107.283%0.82556%0.563SS**  trans-57113.6169.8530000106.5N4S2-N4 PolarHBondContact O-N 3.48Å
3N62.9Low85.6Confident135 Ų135100.8 Ų100.872%0.72254%0.539SS*.  trans-58.8108.4-179.3-81.3-8.5000107.3M1 I5M1-N3 PolarHBondContact O-N 3.46Å; N3-I5 VanDerWaalsContact C-N 3.32Å; N3-I5 HydrophobicContact CB-CG2 4.01Å; N3-I5 PolarHBondContact O-N 3.25Å
4N89.5Confident86.5Confident124 Ų12499.9 Ų99.966%0.66354%0.539SS*.  trans-70.795.6177.8-165.217.5000105.9S2 A19S2-N4 PolarHBondContact O-N 3.48Å; N4-A19 VanDerWaalsContact C-CB 3.48Å; N4-A19 HydrophobicContact CB-CB 4.11Å; N4-A19 WeakPolarHBondContact O-CB 3.25Å; N4-A19 PolarHBondContact O-N 3.11Å
5I94.5Very high87.2Confident67 Ų6797.9 Ų97.934%0.34452%0.521SS..EExtended strand (participates in β ladder)trans-116.2153.1-176.657.8169.7000109.6N3 I7 E16 V17N3-I5 VanDerWaalsContact C-N 3.32Å; N3-I5 HydrophobicContact CB-CG2 4.01Å; N3-I5 PolarHBondContact O-N 3.25Å; I5-I7 HydrophobicContact CD1-CD1 4.49Å; I5-E16 HydrophobicContact CB-CB 4.49Å; I5-E16 HydrophobicContact CD1-CB 4.12Å; I5-E16 VanDerWaalsContact CD1-CD 3.42Å; I5-E16 HydrophobicContact CD1-CG 3.84Å; I5-V17 CarbonylContact C-O 3.6Å; I5-V17 WeakPolarHBondContact CA-O 3.1Å
6R96.1Very high87.8Confident28 Ų2899.4 Ų99.411%0.10652%0.524CS..EExtended strand (participates in β ladder)trans-120.1149.4163.269.4179.7-171.7-85.9-2109.5E8 V17 P18 A19 A21 Y23 K126R6-E8 HydrophobicContact CG-CG 4.49Å; R6-E8 IonicContact CZ-OE1 3.06Å; R6-E8 IonicContact NE-OE1 3.62Å; R6-E8 PolarHBondContact NE-OE1 3.46Å; R6-E8 IonicContact NH2-OE1 2.7Å; R6-E8 PolarHBondContact NH2-OE1 2.94Å; R6-V17 HydrophobicContact CG-CB 4.21Å; R6-V17 PolarHBondContact N-O 3.48Å; R6-V17 PolarHBondContact O-N 2.98Å; R6-P18 PolarHBondContact NH1-O 2.91Å; R6-A19 PolarHBondContact NH1-O 2.9Å; R6-A21 PolarHBondContact NH1-O 3.23Å; R6-A21 PolarHBondContact NH2-O 3.14Å; R6-Y23 PolarHBondContact NH2-O 3.17Å; R6-K126 WeakPolarHBondContact CD-O 3.28Å
7I96.9Very high88.4Confident104 Ų10493.6 Ų93.653%0.53349%0.493SS..EExtended strand (participates in β ladder)trans-93.7125.2176.4-53.9-56.9000108I5 T14 E16I5-I7 HydrophobicContact CD1-CD1 4.49Å; I7-T14 HydrophobicContact CG2-CG2 4.08Å; I7-E16 HydrophobicContact CD1-CB 4.4Å; I7-E16 HydrophobicContact CD1-CG 3.7Å
8E97.8Very high88.8Confident8 Ų890.9 Ų90.94%0.03748%0.482CS..EExtended strand (participates in β ladder)trans-120.6155.4170.4-72.4-169.5-162.700109.9R6 T14 R15 V17 G24 V25 Y129R6-E8 HydrophobicContact CG-CG 4.49Å; R6-E8 IonicContact CZ-OE1 3.06Å; R6-E8 IonicContact NE-OE1 3.62Å; R6-E8 PolarHBondContact NE-OE1 3.46Å; R6-E8 IonicContact NH2-OE1 2.7Å; R6-E8 PolarHBondContact NH2-OE1 2.94Å; E8-T14 CarbonylContact O-C 3.6Å; E8-T14 VanDerWaalsContact O-CA 3.28Å; E8-T14 WeakPolarHBondContact O-CA 3.5Å; E8-R15 PolarHBondContact N-O 3.4Å; E8-R15 VanDerWaalsContact N-O 3.09Å; E8-R15 PolarHBondContact O-N 3.36Å; E8-V17 HydrophobicContact CB-CG2 4.14Å; E8-V17 HydrophobicContact CG-CG2 4.29Å; E8-G24 WeakPolarHBondContact OE2-CA 3.39Å; E8-V25 HydrophobicContact CB-CB 3.8Å; E8-V25 HydrophobicContact CB-CG1 4.08Å; E8-V25 PolarHBondContact OE2-N 3.22Å; E8-Y129 VanDerWaalsContact CD-OH 3.24Å; E8-Y129 HydrophobicContact CG-CE2 4.25Å; E8-Y129 PolarHBondContact OE1-OH 3.45Å; E8-Y129 WeakPolarHBondContact OE2-CE2 3.45Å; E8-Y129 PolarHBondContact OE2-OH 2.77Å
9E96.2Very high89.2Confident147 Ų14787.4 Ų87.469%0.68747%0.467SS*.EExtended strand (participates in β ladder)trans-128.8135.7-176.7-173.9176.5173.100110.1T14E9-T14 HydrophobicContact CB-CG2 4.09Å; E9-T14 HydrophobicContact CG-CG2 4.12Å
10D96.3Very high89.5Confident21 Ų2189 Ų8911%0.11248%0.476CS..EExtended strand (participates in β ladder)trans-124.8-170.1164.768.53.8000110.4L12 G13 V25 H26 R29D10-L12 PolarHBondContact O-N 3.12Å; D10-L12 PolarHBondContact OD1-N 2.64Å; D10-G13 PolarHBondContact N-O 3.27Å; D10-G13 PolarHBondContact O-N 3.25Å; D10-V25 HydrophobicContact CB-CG1 3.81Å; D10-V25 HydrophobicContact CB-CG2 4.36Å; D10-H26 IonicContact OD2-CE1 2.84Å; D10-H26 IonicContact OD2-ND1 2.72Å; D10-R29 VanDerWaalsContact CG-NE 3.29Å; D10-R29 IonicContact OD1-CZ 3.77Å; D10-R29 IonicContact OD1-NE 2.7Å; D10-R29 PolarHBondContact OD1-NE 3.02Å; D10-R29 VanDerWaalsContact OD1-NE 3.08Å; D10-R29 IonicContact OD1-NH2 2.87Å; D10-R29 PolarHBondContact OD1-NH2 2.9Å; D10-R29 VanDerWaalsContact OD2-CD 3.23Å; D10-R29 WeakPolarHBondContact OD2-CD 3.45Å; D10-R29 IonicContact OD2-CZ 2.76Å; D10-R29 IonicContact OD2-NE 2.61Å; D10-R29 PolarHBondContact OD2-NE 2.97Å; D10-R29 IonicContact OD2-NH2 3.11Å
11L95.5Very high89.9Confident173 Ų17385 Ų8591%0.90646%0.455SS*.THydrogen-bonded Turntrans-52.7-28.3178.5179.565.3000113.9G13L11-G13 VanDerWaalsContact C-N 3.34Å
12L96.7Very high92.5Very high134 Ų13475.7 Ų75.770%0.70241%0.407SS*.THydrogen-bonded Turntrans-93.36.4-177.1-59.4178.8000112.6D10D10-L12 PolarHBondContact O-N 3.12Å; D10-L12 PolarHBondContact OD1-N 2.64Å
13G97.3Very high94.8Very high25 Ų2571.7 Ų71.726%0.25838%0.375SS..EExtended strand (participates in β ladder)trans99.4-168.4178.900000113.8D10 L11 R29D10-G13 PolarHBondContact N-O 3.27Å; D10-G13 PolarHBondContact O-N 3.25Å; L11-G13 VanDerWaalsContact C-N 3.34Å; G13-R29 PolarHBondContact O-NH2 2.7Å
14T97.3Very high96.5Very high87 Ų8765.3 Ų65.353%0.53434%0.34SS..EExtended strand (participates in β ladder)trans-81.7146.1-171.156.10000113.3I7 E8 E9I7-T14 HydrophobicContact CG2-CG2 4.08Å; E8-T14 CarbonylContact O-C 3.6Å; E8-T14 VanDerWaalsContact O-CA 3.28Å; E8-T14 WeakPolarHBondContact O-CA 3.5Å; E9-T14 HydrophobicContact CB-CG2 4.09Å; E9-T14 HydrophobicContact CG-CG2 4.12Å
15R97.6Very high96.9Very high71 Ų7159.5 Ų59.527%0.26831%0.31SS..EExtended strand (participates in β ladder)trans-138155.2170.5-62.9-61.5-58.4-83.7-1.8111.6E8 V25 L28 E32E8-R15 PolarHBondContact N-O 3.4Å; E8-R15 VanDerWaalsContact N-O 3.09Å; E8-R15 PolarHBondContact O-N 3.36Å; R15-V25 HydrophobicContact CB-CG2 3.97Å; R15-V25 HydrophobicContact CG-CG2 3.95Å; R15-L28 HydrophobicContact CB-CD2 3.86Å; R15-E32 IonicContact CZ-OE1 3.28Å; R15-E32 IonicContact CZ-OE2 3.65Å; R15-E32 IonicContact NH1-OE2 3.85Å; R15-E32 PolarHBondContact NH1-OE2 3.31Å; R15-E32 IonicContact NH2-OE1 3.78Å; R15-E32 PolarHBondContact NH2-OE1 3.36Å; R15-E32 IonicContact NH2-OE2 3.6Å; R15-E32 PolarHBondContact NH2-OE2 3.33Å
16E97Very high97.1Very high122 Ų12259.1 Ų59.157%0.5731%0.306SS*.EExtended strand (participates in β ladder)trans-85.7116.7172.7-57.8-175169.300109.9I5 I7 L28I5-E16 HydrophobicContact CB-CB 4.49Å; I5-E16 HydrophobicContact CD1-CB 4.12Å; I5-E16 VanDerWaalsContact CD1-CD 3.42Å; I5-E16 HydrophobicContact CD1-CG 3.84Å; I7-E16 HydrophobicContact CD1-CB 4.4Å; I7-E16 HydrophobicContact CD1-CG 3.7Å; E16-L28 WeakPolarHBondContact O-CD2 3.5Å
17V97.6Very high97.2Very high0 Ų057.8 Ų57.80%030%0.301CS..EExtended strand (participates in β ladder)trans-107.3139.5175.8-175.60000108.6I5 R6 E8 A19 A21 Y23 L28I5-V17 CarbonylContact C-O 3.6Å; I5-V17 WeakPolarHBondContact CA-O 3.1Å; R6-V17 HydrophobicContact CG-CB 4.21Å; R6-V17 PolarHBondContact N-O 3.48Å; R6-V17 PolarHBondContact O-N 2.98Å; E8-V17 HydrophobicContact CB-CG2 4.14Å; E8-V17 HydrophobicContact CG-CG2 4.29Å; V17-A19 PolarHBondContact O-N 3.03Å; V17-A21 HydrophobicContact CG1-CB 4.35Å; V17-Y23 HydrophobicContact CG1-CD2 4.35Å; V17-Y23 HydrophobicContact CG1-CE2 4.09Å; V17-L28 HydrophobicContact CG2-CD2 3.95Å
18P96.6Very high97.3Very high46 Ų4653.6 Ų53.630%0.29928%0.28SS..EExtended strand (participates in β ladder)trans-54130.5172.4-24.734.2000111.2R6 D20 A21R6-P18 PolarHBondContact NH1-O 2.91Å; P18-D20 WeakPolarHBondContact CB-OD1 3.14Å; P18-D20 PolarHBondContact O-N 2.92Å; P18-A21 HydrophobicContact CB-CB 4.09Å; P18-A21 WeakPolarHBondContact O-CB 3.44Å; P18-A21 PolarHBondContact O-N 3.41Å; P18-A21 VanDerWaalsContact O-N 3.14Å
19A95.3Very high97.3Very high23 Ų2355 Ų5519%0.1928%0.284CS..THydrogen-bonded Turntrans-65-26.3-172.400000113.3N4 R6 V17N4-A19 VanDerWaalsContact C-CB 3.48Å; N4-A19 HydrophobicContact CB-CB 4.11Å; N4-A19 WeakPolarHBondContact O-CB 3.25Å; N4-A19 PolarHBondContact O-N 3.11Å; R6-A19 PolarHBondContact NH1-O 2.9Å; V17-A19 PolarHBondContact O-N 3.03Å
20D95.5Very high97.4Very high120 Ų12048.1 Ų48.164%0.64225%0.253SS*.THydrogen-bonded Turntrans-83.7-19.8177.561.4-30.5000113.9P18P18-D20 WeakPolarHBondContact CB-OD1 3.14Å; P18-D20 PolarHBondContact O-N 2.92Å
21A97.6Very high97.4Very high4 Ų449.5 Ų49.53%0.03326%0.26CS..  trans-64.7136.317800000111.6R6 V17 P18 Y23R6-A21 PolarHBondContact NH1-O 3.23Å; R6-A21 PolarHBondContact NH2-O 3.14Å; V17-A21 HydrophobicContact CG1-CB 4.35Å; P18-A21 HydrophobicContact CB-CB 4.09Å; P18-A21 WeakPolarHBondContact O-CB 3.44Å; P18-A21 PolarHBondContact O-N 3.41Å; P18-A21 VanDerWaalsContact O-N 3.14Å; A21-Y23 HydrophobicContact CB-CD1 3.91Å; A21-Y23 HydrophobicContact CB-CD2 4.3Å; A21-Y23 HydrophobicContact CB-CE1 3.6Å; A21-Y23 HydrophobicContact CB-CE2 4.02Å; A21-Y23 HydrophobicContact CB-CG 4.24Å
22Y98.6Very high97.5Very high32 Ų3245.1 Ų45.113%0.12524%0.235CC..SBendtrans-84.8-22.4173.1-77.5-100.1000112.7K88 C89 Q92 E112 V113 N116 I117 E120 K126Y22-K88 VanDerWaalsContact OH-CE 3.29Å; Y22-K88 WeakPolarHBondContact OH-CE 3.34Å; Y22-C89 WeakPolarHBondContact CD2-SG 3.29Å; Y22-C89 WeakPolarHBondContact CE2-SG 3.43Å; Y22-C89 VanDerWaalsContact CG-SG 3.58Å; Y22-C89 VanDerWaalsContact CZ-SG 3.57Å; Y22-Q92 HydrophobicContact CD2-CG 4.2Å; Y22-E112 CarbonylContact O-C 3.56Å; Y22-V113 WeakPolarHBondContact O-CA 3.08Å; Y22-N116 HydrophobicContact CD1-CB 4.03Å; Y22-N116 WeakPolarHBondContact O-CB 3.47Å; Y22-N116 PolarHBondContact O-ND2 2.71Å; Y22-I117 HydrophobicContact CD1-CG1 3.52Å; Y22-I117 HydrophobicContact CE1-CB 4.43Å; Y22-I117 HydrophobicContact CE1-CG1 3.61Å; Y22-E120 PolarHBondContact OH-OE1 3.25Å; Y22-E120 PolarHBondContact OH-OE2 2.75Å; Y22-K126 VanDerWaalsContact CE1-CE 3.44Å; Y22-K126 VanDerWaalsContact CE2-CE 3.5Å; Y22-K126 VanDerWaalsContact CZ-CE 3.42Å
23Y98.6Very high97.6Very high35 Ų3543.7 Ų43.714%0.13723%0.228CC..SBendtrans-72.9160.1170.368.2-105.8000111.2R6 V17 A21 T27 L28 I31 P94R6-Y23 PolarHBondContact NH2-O 3.17Å; V17-Y23 HydrophobicContact CG1-CD2 4.35Å; V17-Y23 HydrophobicContact CG1-CE2 4.09Å; A21-Y23 HydrophobicContact CB-CD1 3.91Å; A21-Y23 HydrophobicContact CB-CD2 4.3Å; A21-Y23 HydrophobicContact CB-CE1 3.6Å; A21-Y23 HydrophobicContact CB-CE2 4.02Å; A21-Y23 HydrophobicContact CB-CG 4.24Å; Y23-T27 HydrophobicContact CD1-CG2 4.39Å; Y23-T27 HydrophobicContact CD2-CG2 3.87Å; Y23-T27 HydrophobicContact CG-CG2 3.71Å; Y23-L28 HydrophobicContact CE2-CB 4.41Å; Y23-I31 HydrophobicContact CE1-CD1 4.44Å; Y23-I31 HydrophobicContact CE2-CD1 4.1Å; Y23-P94 HydrophobicContact CD1-CG 3.99Å; Y23-P94 HydrophobicContact CE1-CG 4.01Å
24G98.4Very high97.6Very high0 Ų044.8 Ų44.80%023%0.226CC..  trans-116.3-160-176.500000113.9E8 H26 T27 L28 E112E8-G24 WeakPolarHBondContact OE2-CA 3.39Å; G24-H26 PolarHBondContact O-N 3.25Å; G24-T27 PolarHBondContact O-N 3.26Å; G24-L28 PolarHBondContact O-N 3.27Å; G24-E112 VanDerWaalsContact C-CD 3.5Å; G24-E112 VanDerWaalsContact C-OE1 3.23Å; G24-E112 WeakPolarHBondContact CA-OE1 3.29Å; G24-E112 VanDerWaalsContact CA-OE2 3.31Å; G24-E112 WeakPolarHBondContact CA-OE2 3.16Å; G24-E112 VanDerWaalsContact N-CD 3.26Å; G24-E112 PolarHBondContact N-OE2 3.09Å
25V98.3Very high97.4Very high3 Ų349.8 Ų49.82%0.01824%0.236CC..Hα-helixtrans-60.3-37.9-175.658.90000113.9E8 D10 R15 L28 R29 E112E8-V25 HydrophobicContact CB-CB 3.8Å; E8-V25 HydrophobicContact CB-CG1 4.08Å; E8-V25 PolarHBondContact OE2-N 3.22Å; D10-V25 HydrophobicContact CB-CG1 3.81Å; D10-V25 HydrophobicContact CB-CG2 4.36Å; R15-V25 HydrophobicContact CB-CG2 3.97Å; R15-V25 HydrophobicContact CG-CG2 3.95Å; V25-L28 PolarHBondContact O-N 3.47Å; V25-R29 WeakPolarHBondContact O-CG 3.36Å; V25-R29 PolarHBondContact O-N 2.87Å; V25-E112 PolarHBondContact N-OE1 2.82Å
26H98.3Very high97.4Very high59 Ų5951.9 Ų51.927%0.27325%0.252SS..Hα-helixtrans-67.2-41.5-179.6-66.1-75000111D10 G24 R29 A30 M108 E112D10-H26 IonicContact OD2-CE1 2.84Å; D10-H26 IonicContact OD2-ND1 2.72Å; G24-H26 PolarHBondContact O-N 3.25Å; H26-R29 PolarHBondContact O-N 2.86Å; H26-A30 PolarHBondContact O-N 3.32Å; H26-M108 HydrophobicContact CB-CB 3.79Å; H26-M108 HydrophobicContact CB-CG 4.32Å; H26-M108 WeakPolarHBondContact CD2-CE 3.47Å; H26-E112 VanDerWaalsContact CB-OE1 3.24Å; H26-E112 WeakPolarHBondContact CB-OE1 3.45Å; H26-E112 IonicContact CD2-OE1 3.13Å; H26-E112 PolarHBondContact CD2-OE1 3.25Å; H26-E112 VanDerWaalsContact CD2-OE1 3.28Å; H26-E112 IonicContact CG-OE1 2.69Å; H26-E112 PolarHBondContact N-OE1 3.49Å
27T98.4Very high97.4Very high0 Ų047.9 Ų47.90%024%0.237CC..Hα-helixtrans-65.9-43.6174.9-55.60000111.3Y23 G24 R29 A30 I31 P94 V95 N109 E112Y23-T27 HydrophobicContact CD1-CG2 4.39Å; Y23-T27 HydrophobicContact CD2-CG2 3.87Å; Y23-T27 HydrophobicContact CG-CG2 3.71Å; G24-T27 PolarHBondContact O-N 3.26Å; T27-R29 VanDerWaalsContact C-N 3.3Å; T27-R29 PolarHBondContact O-N 3.1Å; T27-A30 WeakPolarHBondContact O-CB 3.46Å; T27-A30 PolarHBondContact O-N 3.46Å; T27-I31 HydrophobicContact CG2-CD1 4.21Å; T27-I31 HydrophobicContact CG2-CG1 4.42Å; T27-I31 WeakPolarHBondContact O-CG1 3.25Å; T27-I31 PolarHBondContact O-N 3.02Å; T27-P94 HydrophobicContact CG2-CG 4Å; T27-V95 HydrophobicContact CG2-CG2 3.81Å; T27-N109 HydrophobicContact CG2-CB 4.07Å; T27-N109 WeakPolarHBondContact CG2-OD1 3.38Å; T27-N109 WeakPolarHBondContact OG1-CA 3.32Å; T27-N109 WeakPolarHBondContact OG1-CB 3.41Å; T27-N109 PolarHBondContact OG1-ND2 3.08Å; T27-E112 VanDerWaalsContact CB-OE2 3.29Å; T27-E112 WeakPolarHBondContact CB-OE2 3.44Å; T27-E112 PolarHBondContact N-OE2 3.15Å; T27-E112 VanDerWaalsContact N-OE2 3.13Å; T27-E112 PolarHBondContact OG1-OE2 2.83Å
28L98.1Very high97.3Very high16 Ų1655.3 Ų55.38%0.08428%0.277CS..Hα-helixtrans-55.1-47.7176.6176.266.4000111.2R15 E16 V17 Y23 G24 V25 A30 I31 E32R15-L28 HydrophobicContact CB-CD2 3.86Å; E16-L28 WeakPolarHBondContact O-CD2 3.5Å; V17-L28 HydrophobicContact CG2-CD2 3.95Å; Y23-L28 HydrophobicContact CE2-CB 4.41Å; G24-L28 PolarHBondContact O-N 3.27Å; V25-L28 PolarHBondContact O-N 3.47Å; L28-A30 VanDerWaalsContact C-N 3.3Å; L28-A30 PolarHBondContact O-N 2.97Å; L28-I31 PolarHBondContact O-N 3.44Å; L28-E32 WeakPolarHBondContact O-CG 3.3Å; L28-E32 PolarHBondContact O-N 3.31Å; L28-E32 VanDerWaalsContact O-N 3.14Å
29R98.2Very high97.3Very high36 Ų3657 Ų5714%0.13628%0.283CS..Hα-helixtrans-61.8-38.4176.7-69.6-175.8-170.3-75.42.5112.1D10 G13 V25 H26 T27 E32 N33D10-R29 VanDerWaalsContact CG-NE 3.29Å; D10-R29 IonicContact OD1-CZ 3.77Å; D10-R29 IonicContact OD1-NE 2.7Å; D10-R29 PolarHBondContact OD1-NE 3.02Å; D10-R29 VanDerWaalsContact OD1-NE 3.08Å; D10-R29 IonicContact OD1-NH2 2.87Å; D10-R29 PolarHBondContact OD1-NH2 2.9Å; D10-R29 VanDerWaalsContact OD2-CD 3.23Å; D10-R29 WeakPolarHBondContact OD2-CD 3.45Å; D10-R29 IonicContact OD2-CZ 2.76Å; D10-R29 IonicContact OD2-NE 2.61Å; D10-R29 PolarHBondContact OD2-NE 2.97Å; D10-R29 IonicContact OD2-NH2 3.11Å; G13-R29 PolarHBondContact O-NH2 2.7Å; V25-R29 WeakPolarHBondContact O-CG 3.36Å; V25-R29 PolarHBondContact O-N 2.87Å; H26-R29 PolarHBondContact O-N 2.86Å; T27-R29 VanDerWaalsContact C-N 3.3Å; T27-R29 PolarHBondContact O-N 3.1Å; R29-E32 PolarHBondContact O-N 2.99Å; R29-N33 VanDerWaalsContact O-CB 3.29Å; R29-N33 WeakPolarHBondContact O-CB 3.47Å; R29-N33 PolarHBondContact O-N 2.98Å; R29-N33 PolarHBondContact O-ND2 3.31Å; R29-N33 VanDerWaalsContact O-ND2 3.14Å
30A98.1Very high97.4Very high3 Ų360.2 Ų60.23%0.02529%0.293CS..Hα-helixtrans-63.9-42.2177.100000112.3H26 T27 L28 E32 N33 F34 V95 S105H26-A30 PolarHBondContact O-N 3.32Å; T27-A30 WeakPolarHBondContact O-CB 3.46Å; T27-A30 PolarHBondContact O-N 3.46Å; L28-A30 VanDerWaalsContact C-N 3.3Å; L28-A30 PolarHBondContact O-N 2.97Å; A30-E32 VanDerWaalsContact C-N 3.28Å; A30-E32 PolarHBondContact O-N 3.46Å; A30-N33 PolarHBondContact O-N 3Å; A30-F34 HydrophobicContact CB-CD2 4.07Å; A30-F34 HydrophobicContact CB-CE2 4.2Å; A30-F34 WeakPolarHBondContact O-CB 3.49Å; A30-F34 VanDerWaalsContact O-CD2 3.28Å; A30-F34 WeakPolarHBondContact O-CD2 3.17Å; A30-F34 PolarHBondContact O-N 3.3Å; A30-V95 HydrophobicContact CB-CG1 3.99Å; A30-V95 HydrophobicContact CB-CG2 3.99Å; A30-S105 VanDerWaalsContact CB-CB 3.43Å; A30-S105 WeakPolarHBondContact CB-OG 3.36Å
31I97.4Very high97.6Very high51 Ų5154.7 Ų54.726%0.26226%0.263SS..Hα-helixtrans-58.4-43.2175.1-63.1164.4000110.7Y23 T27 L28 P94Y23-I31 HydrophobicContact CE1-CD1 4.44Å; Y23-I31 HydrophobicContact CE2-CD1 4.1Å; T27-I31 HydrophobicContact CG2-CD1 4.21Å; T27-I31 HydrophobicContact CG2-CG1 4.42Å; T27-I31 WeakPolarHBondContact O-CG1 3.25Å; T27-I31 PolarHBondContact O-N 3.02Å; L28-I31 PolarHBondContact O-N 3.44Å; I31-P94 HydrophobicContact CD1-CB 4.1Å; I31-P94 HydrophobicContact CD1-CG 3.39Å; I31-P94 HydrophobicContact CG1-CB 4.31Å; I31-P94 HydrophobicContact CG1-CG 3.82Å
32E97.1Very high97.6Very high80 Ų8055.7 Ų55.737%0.37427%0.27SS..Hα-helixtrans-76.8-31.1-176.5-68.1175.416200113.7R15 L28 R29 A30 Y35R15-E32 IonicContact CZ-OE1 3.28Å; R15-E32 IonicContact CZ-OE2 3.65Å; R15-E32 IonicContact NH1-OE2 3.85Å; R15-E32 PolarHBondContact NH1-OE2 3.31Å; R15-E32 IonicContact NH2-OE1 3.78Å; R15-E32 PolarHBondContact NH2-OE1 3.36Å; R15-E32 IonicContact NH2-OE2 3.6Å; R15-E32 PolarHBondContact NH2-OE2 3.33Å; L28-E32 WeakPolarHBondContact O-CG 3.3Å; L28-E32 PolarHBondContact O-N 3.31Å; L28-E32 VanDerWaalsContact O-N 3.14Å; R29-E32 PolarHBondContact O-N 2.99Å; A30-E32 VanDerWaalsContact C-N 3.28Å; A30-E32 PolarHBondContact O-N 3.46Å; E32-Y35 WeakPolarHBondContact O-CD1 3.45Å
33N97.7Very high97.6Very high105 Ų10558.7 Ų58.756%0.56129%0.289SS*.Hα-helixtrans-83.6-30.5-179.4-71.5-27.9000112.8R29 A30R29-N33 VanDerWaalsContact O-CB 3.29Å; R29-N33 WeakPolarHBondContact O-CB 3.47Å; R29-N33 PolarHBondContact O-N 2.98Å; R29-N33 PolarHBondContact O-ND2 3.31Å; R29-N33 VanDerWaalsContact O-ND2 3.14Å; A30-N33 PolarHBondContact O-N 3Å
34F97.3Very high97.5Very high48 Ų4858.3 Ų58.321%0.21129%0.288CS..  trans-121.885.8-170.5-46.2-49.2000110.8A30 D96 Q99A30-F34 HydrophobicContact CB-CD2 4.07Å; A30-F34 HydrophobicContact CB-CE2 4.2Å; A30-F34 WeakPolarHBondContact O-CB 3.49Å; A30-F34 VanDerWaalsContact O-CD2 3.28Å; A30-F34 WeakPolarHBondContact O-CD2 3.17Å; A30-F34 PolarHBondContact O-N 3.3Å; F34-D96 HydrophobicContact CB-CB 4.4Å; F34-D96 WeakPolarHBondContact O-CB 3.41Å; F34-Q99 HydrophobicContact CD2-CB 3.62Å; F34-Q99 HydrophobicContact CE2-CB 3.97Å; F34-Q99 HydrophobicContact CG-CB 4.1Å
35Y94.1Very high97.5Very high191 Ų19160.3 Ų60.375%0.74930%0.302SS*.  trans-114.561.1175.852.7-87.3000110.3E32E32-Y35 WeakPolarHBondContact O-CD1 3.45Å
36I97.9Very high97.4Very high116 Ų11662.1 Ų62.160%0.59531%0.31SS*.  trans-93.1-36.8-168.4-52.8-56.5000111.6D96 Y98I36-D96 WeakPolarHBondContact CA-OD2 3.47Å; I36-D96 PolarHBondContact N-OD2 2.9Å; I36-Y98 HydrophobicContact CB-CD2 4.38Å; I36-Y98 HydrophobicContact CB-CG 4.47Å; I36-Y98 HydrophobicContact CG2-CD2 4.06Å; I36-Y98 HydrophobicContact CG2-CG 4.09Å
37S96.6Very high97.4Very high38 Ų3859.5 Ų59.527%0.26630%0.298SS..  trans-139.2176.6-174.283.80000112.1N39 D96S37-N39 VanDerWaalsContact C-N 3.33Å; S37-N39 PolarHBondContact OG-N 2.92Å; S37-N39 VanDerWaalsContact OG-N 3.11Å; S37-N39 PolarHBondContact OG-O 3.33Å; S37-D96 PolarHBondContact N-OD2 2.8Å; S37-D96 PolarHBondContact OG-OD1 2.84Å
38N95.9Very high97.4Very high156 Ų15659.6 Ų59.683%0.83430%0.298SS*.SBendtrans-90.60.7172.2-68.5-34.8000112.8
39N96.6Very high97.5Very high82 Ų8262.9 Ų62.944%0.43931%0.309SS..  trans-100133.3-175.1-65.3-2.5000110.1S37 V97S37-N39 VanDerWaalsContact C-N 3.33Å; S37-N39 PolarHBondContact OG-N 2.92Å; S37-N39 VanDerWaalsContact OG-N 3.11Å; S37-N39 PolarHBondContact OG-O 3.33Å; N39-V97 HydrophobicContact CB-CG1 4.14Å; N39-V97 HydrophobicContact CB-CG2 3.85Å; N39-V97 PolarHBondContact O-N 2.66Å
40K97.7Very high97.5Very high90 Ų9061.2 Ų61.239%0.39130%0.304SS..BIsolated β-bridgetrans-117.4162.1-177.4-56.1-176.9-178.2-148.80110.9S42 D43 P94 V95K40-S42 WeakPolarHBondContact CB-OG 3.21Å; K40-S42 PolarHBondContact O-N 3.1Å; K40-D43 PolarHBondContact N-OD2 2.94Å; K40-D43 WeakPolarHBondContact O-CB 3.36Å; K40-D43 PolarHBondContact O-N 3.21Å; K40-P94 HydrophobicContact CD-CB 4.47Å; K40-V95 CarbonylContact C-O 3.32Å; K40-V95 VanDerWaalsContact CA-O 3.29Å; K40-V95 WeakPolarHBondContact CA-O 3.37Å
41I98.4Very high97.5Very high3 Ų361.1 Ų61.12%0.01530%0.302CS..G310 helixtrans-59.4-34.5172.5-59.9-62.1000111.4D43 I44 F47 V48 F93 V95 V97 V106I41-D43 PolarHBondContact O-N 2.95Å; I41-I44 CarbonylContact O-C 3.47Å; I41-I44 PolarHBondContact O-N 3.41Å; I41-F47 HydrophobicContact CD1-CD1 3.85Å; I41-F47 HydrophobicContact CD1-CE1 3.88Å; I41-F47 HydrophobicContact CG2-CD1 4.29Å; I41-V48 HydrophobicContact CG2-CG2 3.92Å; I41-F93 HydrophobicContact CB-CB 4.23Å; I41-F93 HydrophobicContact CG2-CB 4.12Å; I41-V95 HydrophobicContact CG1-CB 4.35Å; I41-V95 WeakPolarHBondContact CG1-O 3.24Å; I41-V95 PolarHBondContact N-O 3.48Å; I41-V97 HydrophobicContact CD1-CG1 4.34Å; I41-V106 HydrophobicContact CD1-CG2 3.77Å; I41-V106 HydrophobicContact CG1-CG2 3.82Å; I41-V106 HydrophobicContact CG2-CG1 4.28Å
42S98Very high97.6Very high26 Ų2658.7 Ų58.718%0.18229%0.29CS..G310 helixtrans-59.7-23.5173.857.80000114.1K40 I44 M90 F93K40-S42 WeakPolarHBondContact CB-OG 3.21Å; K40-S42 PolarHBondContact O-N 3.1Å; S42-I44 PolarHBondContact O-N 3.35Å; S42-M90 WeakPolarHBondContact CB-O 3.46Å; S42-F93 PolarHBondContact N-O 2.98Å
43D97.7Very high97.7Very high95 Ų9556.5 Ų56.551%0.50828%0.28SS..G310 helixtrans-79.3-5.7177.2-53.7-35.3000112.2K40 I41 P45K40-D43 PolarHBondContact N-OD2 2.94Å; K40-D43 WeakPolarHBondContact O-CB 3.36Å; K40-D43 PolarHBondContact O-N 3.21Å; I41-D43 PolarHBondContact O-N 2.95Å; D43-P45 VanDerWaalsContact C-CD 3.48Å; D43-P45 WeakPolarHBondContact O-CD 3.29Å
44I97.8Very high97.7Very high26 Ų2651.5 Ų51.513%0.13325%0.254CS..  trans-120.775177.1-46.2174.9000108.9I41 S42 E46 F47 V48 V97 F373I41-I44 CarbonylContact O-C 3.47Å; I41-I44 PolarHBondContact O-N 3.41Å; S42-I44 PolarHBondContact O-N 3.35Å; I44-E46 PolarHBondContact O-N 3.16Å; I44-E46 VanDerWaalsContact O-N 3.09Å; I44-F47 HydrophobicContact CB-CB 4.13Å; I44-F47 HydrophobicContact CG2-CB 3.82Å; I44-F47 WeakPolarHBondContact O-CB 3.44Å; I44-F47 PolarHBondContact O-N 3.06Å; I44-V48 PolarHBondContact O-N 3Å; I44-V97 HydrophobicContact CD1-CG1 3.88Å; I44-F373 HydrophobicContact CD1-CB 3.98Å; I44-F373 HydrophobicContact CD1-CD2 3.81Å; I44-F373 HydrophobicContact CD1-CG 4.11Å; I44-F373 HydrophobicContact CG2-CB 4.12Å; I44-F373 HydrophobicContact CG2-CD1 3.73Å; I44-F373 HydrophobicContact CG2-CD2 3.93Å; I44-F373 HydrophobicContact CG2-CE1 4.08Å; I44-F373 HydrophobicContact CG2-CE2 4.26Å; I44-F373 HydrophobicContact CG2-CG 3.67Å; I44-F373 HydrophobicContact CG2-CZ 4.34Å
45P97.4Very high97.8Very high43 Ų4349.3 Ų49.328%0.27924%0.244SC..Hα-helixtrans-56.3-31.3-174.2-28.437.3000114.3D43 F47 V48 R49 M90D43-P45 VanDerWaalsContact C-CD 3.48Å; D43-P45 WeakPolarHBondContact O-CD 3.29Å; P45-F47 VanDerWaalsContact C-N 3.27Å; P45-F47 PolarHBondContact O-N 3.5Å; P45-V48 PolarHBondContact O-N 3.03Å; P45-R49 WeakPolarHBondContact O-CG 3.47Å; P45-R49 PolarHBondContact O-N 3.33Å; P45-M90 HydrophobicContact CB-CE 3.77Å
46E97.3Very high98.1Very high41 Ų4142 Ų4219%0.19222%0.216CC..Hα-helixtrans-62.1-35.6175.4-7268.2-157.400111.7I44 R49 G50 A155 K162I44-E46 PolarHBondContact O-N 3.16Å; I44-E46 VanDerWaalsContact O-N 3.09Å; E46-R49 PolarHBondContact O-N 3.45Å; E46-G50 PolarHBondContact O-N 3.32Å; E46-A155 WeakPolarHBondContact O-CB 3.4Å; E46-K162 IonicContact OE1-NZ 2.74Å; E46-K162 PolarHBondContact OE1-NZ 2.91Å
47F98.5Very high98.1Very high4 Ų436.4 Ų36.42%0.01819%0.187CC..Hα-helixtrans-70.6-45179.1-163.8-172.5000111.6I41 I44 P45 R49 G50 M51 Y148 F152 A155 F373I41-F47 HydrophobicContact CD1-CD1 3.85Å; I41-F47 HydrophobicContact CD1-CE1 3.88Å; I41-F47 HydrophobicContact CG2-CD1 4.29Å; I44-F47 HydrophobicContact CB-CB 4.13Å; I44-F47 HydrophobicContact CG2-CB 3.82Å; I44-F47 WeakPolarHBondContact O-CB 3.44Å; I44-F47 PolarHBondContact O-N 3.06Å; P45-F47 VanDerWaalsContact C-N 3.27Å; P45-F47 PolarHBondContact O-N 3.5Å; F47-R49 VanDerWaalsContact C-N 3.32Å; F47-R49 PolarHBondContact O-N 3.34Å; F47-G50 PolarHBondContact O-N 2.89Å; F47-M51 HydrophobicContact CD2-CG 4.16Å; F47-M51 HydrophobicContact CE2-CG 4.12Å; F47-M51 HydrophobicContact CE2-SD 4.22Å; F47-M51 WeakPolarHBondContact O-CG 3.29Å; F47-M51 PolarHBondContact O-N 3.08Å; F47-Y148 HydrophobicContact CE1-CE2 4.14Å; F47-Y148 HydrophobicContact CE2-CE2 4.23Å; F47-Y148 HydrophobicContact CZ-CD2 4.15Å; F47-Y148 AromaticContact CZ-CE2 3.37Å; F47-Y148 HydrophobicContact CZ-CE2 3.37Å; F47-Y148 AromaticContact CZ-CZ 3.63Å; F47-F152 HydrophobicContact CE2-CB 3.76Å; F47-F152 HydrophobicContact CE2-CD2 4.33Å; F47-F152 HydrophobicContact CE2-CG 4.43Å; F47-F152 HydrophobicContact CZ-CB 4.14Å; F47-F152 HydrophobicContact CZ-CD2 4.37Å; F47-F152 HydrophobicContact CZ-CG 4.48Å; F47-A155 HydrophobicContact CB-CB 4.35Å; F47-A155 HydrophobicContact CD2-CB 4.16Å; F47-F373 HydrophobicContact CB-CE2 3.96Å; F47-F373 HydrophobicContact CB-CZ 3.84Å; F47-F373 HydrophobicContact CD1-CD2 4.42Å; F47-F373 AromaticContact CD1-CE2 3.62Å; F47-F373 HydrophobicContact CD1-CE2 3.62Å; F47-F373 HydrophobicContact CD1-CZ 4.26Å; F47-F373 HydrophobicContact CD2-CE2 4.28Å; F47-F373 HydrophobicContact CD2-CZ 4.18Å; F47-F373 HydrophobicContact CE1-CE2 4.06Å; F47-F373 AromaticContact CG-CE2 3.72Å; F47-F373 HydrophobicContact CG-CE2 3.72Å; F47-F373 AromaticContact CG-CZ 3.87Å; F47-F373 HydrophobicContact CG-CZ 3.87Å
48V98.7Very high98.2Very high1 Ų134.6 Ų34.61%0.00618%0.175CC..Hα-helixtrans-56.2-49172.3176.20000110.4I41 I44 P45 G50 M51 V52 V83 M90 F93I41-V48 HydrophobicContact CG2-CG2 3.92Å; I44-V48 PolarHBondContact O-N 3Å; P45-V48 PolarHBondContact O-N 3.03Å; V48-G50 PolarHBondContact O-N 2.81Å; V48-M51 PolarHBondContact O-N 3.34Å; V48-V52 HydrophobicContact CG1-CG2 4.4Å; V48-V52 VanDerWaalsContact O-CG2 3.29Å; V48-V52 WeakPolarHBondContact O-CG2 3.5Å; V48-V52 PolarHBondContact O-N 3.06Å; V48-V83 HydrophobicContact CG1-CG1 4.45Å; V48-M90 HydrophobicContact CB-CE 3.69Å; V48-M90 HydrophobicContact CB-SD 4.31Å; V48-M90 HydrophobicContact CG1-CE 3.71Å; V48-M90 HydrophobicContact CG1-SD 3.63Å; V48-M90 HydrophobicContact CG2-CE 4.33Å; V48-F93 HydrophobicContact CB-CD2 4.45Å; V48-F93 HydrophobicContact CG1-CD1 4.28Å; V48-F93 HydrophobicContact CG1-CD2 3.67Å; V48-F93 HydrophobicContact CG1-CE1 4Å; V48-F93 HydrophobicContact CG1-CE2 3.38Å; V48-F93 HydrophobicContact CG1-CG 4.13Å; V48-F93 HydrophobicContact CG1-CZ 3.56Å; V48-F93 HydrophobicContact CG2-CB 3.93Å; V48-F93 HydrophobicContact CG2-CD1 4.05Å; V48-F93 HydrophobicContact CG2-CD2 3.87Å; V48-F93 HydrophobicContact CG2-CE2 4.42Å; V48-F93 HydrophobicContact CG2-CG 3.67Å
49R98.7Very high98.4Very high86 Ų8627.4 Ų27.433%0.32514%0.137SC..Hα-helixtrans-61.2-42.9178.4-72.5-176.5-175.897.40.5112.4P45 E46 F47 M51 V52 M53 L84 M90P45-R49 WeakPolarHBondContact O-CG 3.47Å; P45-R49 PolarHBondContact O-N 3.33Å; E46-R49 PolarHBondContact O-N 3.45Å; F47-R49 VanDerWaalsContact C-N 3.32Å; F47-R49 PolarHBondContact O-N 3.34Å; R49-M51 PolarHBondContact O-N 3.31Å; R49-V52 PolarHBondContact O-N 3Å; R49-M53 WeakPolarHBondContact O-CB 3.44Å; R49-M53 VanDerWaalsContact O-CG 3.25Å; R49-M53 WeakPolarHBondContact O-CG 3.28Å; R49-M53 PolarHBondContact O-N 3Å; R49-L84 HydrophobicContact CB-CD2 4.07Å; R49-L84 HydrophobicContact CG-CD2 4.12Å; R49-M90 HydrophobicContact CG-CE 4.36Å
50G98.7Very high98.5Very high1 Ų125.7 Ų25.71%0.0113%0.126CC..Hα-helixtrans-57.4-47.7176.700000112E46 F47 V48 V52 M53 V54E46-G50 PolarHBondContact O-N 3.32Å; F47-G50 PolarHBondContact O-N 2.89Å; V48-G50 PolarHBondContact O-N 2.81Å; G50-V52 PolarHBondContact O-N 3.49Å; G50-M53 PolarHBondContact O-N 3.44Å; G50-V54 WeakPolarHBondContact O-CG2 3.37Å; G50-V54 PolarHBondContact O-N 3.1Å
51M98.9Very high98.5Very high0 Ų021.4 Ų21.40%011%0.108CC..Hα-helixtrans-62.4-44176.1-68.4-58.1-60.500112.3F47 V48 R49 M53 V54 K55 V106 N107 T110 Y148F47-M51 HydrophobicContact CD2-CG 4.16Å; F47-M51 HydrophobicContact CE2-CG 4.12Å; F47-M51 HydrophobicContact CE2-SD 4.22Å; F47-M51 WeakPolarHBondContact O-CG 3.29Å; F47-M51 PolarHBondContact O-N 3.08Å; V48-M51 PolarHBondContact O-N 3.34Å; R49-M51 PolarHBondContact O-N 3.31Å; M51-M53 PolarHBondContact O-N 3.03Å; M51-V54 WeakPolarHBondContact O-CB 3.36Å; M51-V54 PolarHBondContact O-N 2.79Å; M51-K55 WeakPolarHBondContact O-CG 3.31Å; M51-K55 PolarHBondContact O-N 2.77Å; M51-K55 VanDerWaalsContact O-N 3.08Å; M51-V106 HydrophobicContact CG-CG1 4.06Å; M51-N107 HydrophobicContact CE-CB 4.26Å; M51-T110 HydrophobicContact CB-CG2 3.95Å; M51-Y148 HydrophobicContact SD-CD2 4.46Å
52V98.9Very high98.5Very high0 Ų021.3 Ų21.30%011%0.107CC..Hα-helixtrans-65.2-38.1178.8175.10000111.9V48 R49 G50 V54 K55 K56 C80 V83 L84 T110 L114V48-V52 HydrophobicContact CG1-CG2 4.4Å; V48-V52 VanDerWaalsContact O-CG2 3.29Å; V48-V52 WeakPolarHBondContact O-CG2 3.5Å; V48-V52 PolarHBondContact O-N 3.06Å; R49-V52 PolarHBondContact O-N 3Å; G50-V52 PolarHBondContact O-N 3.49Å; V52-V54 VanDerWaalsContact C-N 3.3Å; V52-V54 PolarHBondContact O-N 3.39Å; V52-K55 PolarHBondContact O-N 2.73Å; V52-K56 PolarHBondContact O-N 3.14Å; V52-C80 HydrophobicContact CG1-CB 3.7Å; V52-V83 HydrophobicContact CG1-CB 4.19Å; V52-V83 HydrophobicContact CG1-CG1 4.49Å; V52-V83 HydrophobicContact CG2-CB 4.34Å; V52-V83 HydrophobicContact CG2-CG1 3.92Å; V52-L84 HydrophobicContact CB-CD2 4.08Å; V52-L84 HydrophobicContact CB-CG 4.38Å; V52-L84 HydrophobicContact CG1-CD1 4.05Å; V52-L84 HydrophobicContact CG1-CD2 3.93Å; V52-L84 HydrophobicContact CG1-CG 3.67Å; V52-T110 HydrophobicContact CG2-CG2 4.16Å; V52-L114 HydrophobicContact CG1-CD2 4.27Å; V52-L114 HydrophobicContact CG2-CD1 4.49Å; V52-L114 HydrophobicContact CG2-CD2 4.39Å
53M98.9Very high98.6Very high35 Ų3523.6 Ų23.617%0.17211%0.114CC..Hα-helixtrans-60.2-40.5174.6-72.8173.1-179.400111.6R49 G50 M51 K56 A57 L84 I154 V256 T257R49-M53 WeakPolarHBondContact O-CB 3.44Å; R49-M53 VanDerWaalsContact O-CG 3.25Å; R49-M53 WeakPolarHBondContact O-CG 3.28Å; R49-M53 PolarHBondContact O-N 3Å; G50-M53 PolarHBondContact O-N 3.44Å; M51-M53 PolarHBondContact O-N 3.03Å; M53-K56 PolarHBondContact O-N 2.84Å; M53-A57 WeakPolarHBondContact O-CB 3.24Å; M53-A57 PolarHBondContact O-N 3.29Å; M53-L84 HydrophobicContact CE-CD2 4.13Å; M53-L84 HydrophobicContact CG-CD1 4.02Å; M53-L84 HydrophobicContact CG-CD2 3.87Å; M53-I154 HydrophobicContact SD-CG2 4.02Å; M53-V256 HydrophobicContact CB-CG1 3.84Å; M53-V256 HydrophobicContact CG-CG1 3.86Å; M53-T257 HydrophobicContact CB-CG2 4.2Å; M53-T257 HydrophobicContact CG-CG2 4.49Å; M53-T257 HydrophobicContact SD-CG2 3.83Å
54V98.9Very high98.6Very high0 Ų024.2 Ų24.20%011%0.114CC..Hα-helixtrans-62.2-46.6174.2174.60000111.3G50 M51 V52 K56 A57 A58 A147 T150 L230 L253G50-V54 WeakPolarHBondContact O-CG2 3.37Å; G50-V54 PolarHBondContact O-N 3.1Å; M51-V54 WeakPolarHBondContact O-CB 3.36Å; M51-V54 PolarHBondContact O-N 2.79Å; V52-V54 VanDerWaalsContact C-N 3.3Å; V52-V54 PolarHBondContact O-N 3.39Å; V54-K56 VanDerWaalsContact C-N 3.32Å; V54-K56 PolarHBondContact O-N 3.42Å; V54-A57 PolarHBondContact O-N 3.22Å; V54-A58 WeakPolarHBondContact O-CB 3.43Å; V54-A58 PolarHBondContact O-N 3.16Å; V54-A147 HydrophobicContact CG1-CB 4.11Å; V54-T150 HydrophobicContact CG2-CG2 3.51Å; V54-L230 HydrophobicContact CG1-CD1 3.92Å; V54-L230 HydrophobicContact CG1-CD2 4.34Å; V54-L253 HydrophobicContact CG2-CD1 4.01Å
55K98.9Very high98.6Very high1 Ų125.3 Ų25.30%0.00412%0.12CC..Hα-helixtrans-63-38.5178.3-61.1-54.7174.7179.60112.5M51 V52 A58 A59 N107 T110 N111 L114 V138 N139M51-K55 WeakPolarHBondContact O-CG 3.31Å; M51-K55 PolarHBondContact O-N 2.77Å; M51-K55 VanDerWaalsContact O-N 3.08Å; V52-K55 PolarHBondContact O-N 2.73Å; K55-A58 PolarHBondContact O-N 3.47Å; K55-A59 WeakPolarHBondContact O-CB 3.4Å; K55-A59 PolarHBondContact O-N 3.48Å; K55-N107 VanDerWaalsContact CE-OD1 3.24Å; K55-N107 WeakPolarHBondContact CE-OD1 3.14Å; K55-N107 PolarHBondContact NZ-OD1 2.86Å; K55-T110 HydrophobicContact CG-CG2 3.85Å; K55-N111 WeakPolarHBondContact CE-OD1 3.24Å; K55-N111 PolarHBondContact NZ-OD1 2.98Å; K55-L114 HydrophobicContact CB-CD1 3.51Å; K55-L114 HydrophobicContact CG-CD1 3.71Å; K55-V138 HydrophobicContact CD-CG1 4.25Å; K55-V138 HydrophobicContact CG-CG1 4.42Å; K55-N139 PolarHBondContact NZ-OD1 3.42Å
56K98.9Very high98.7Very high37 Ų3730.2 Ų30.216%0.16114%0.139CC..Hα-helixtrans-62-48.9174.2-170.9175.2174.1-177.20111.4V52 M53 V54 A58 A59 M60 C80 D81 L84 V256V52-K56 PolarHBondContact O-N 3.14Å; M53-K56 PolarHBondContact O-N 2.84Å; V54-K56 VanDerWaalsContact C-N 3.32Å; V54-K56 PolarHBondContact O-N 3.42Å; K56-A58 PolarHBondContact O-N 2.99Å; K56-A59 PolarHBondContact O-N 3.28Å; K56-M60 HydrophobicContact CG-SD 4.19Å; K56-M60 VanDerWaalsContact O-CG 3.28Å; K56-M60 WeakPolarHBondContact O-CG 3.48Å; K56-M60 PolarHBondContact O-N 2.92Å; K56-C80 HydrophobicContact CB-CB 3.74Å; K56-C80 HydrophobicContact CD-CB 4.15Å; K56-C80 HydrophobicContact CG-CB 4.05Å; K56-D81 VanDerWaalsContact CE-OD1 3.31Å; K56-D81 WeakPolarHBondContact CE-OD1 3.46Å; K56-D81 IonicContact NZ-OD1 2.63Å; K56-D81 PolarHBondContact NZ-OD1 2.82Å; K56-D81 IonicContact NZ-OD2 3.86Å; K56-L84 HydrophobicContact CD-CD1 4.08Å; K56-V256 HydrophobicContact CB-CG1 4.41Å; K56-V256 HydrophobicContact CB-CG2 4.42Å; K56-V256 HydrophobicContact CD-CG1 4.07Å; K56-V256 HydrophobicContact CD-CG2 4.01Å; K56-V256 HydrophobicContact CG-CG2 4.04Å
57A98.9Very high98.7Very high0 Ų029.9 Ų29.90%014%0.14CC..Hα-helixtrans-60.5-44.8178.400000112.1M53 V54 M60 A61 K252 L253M53-A57 WeakPolarHBondContact O-CB 3.24Å; M53-A57 PolarHBondContact O-N 3.29Å; V54-A57 PolarHBondContact O-N 3.22Å; A57-M60 PolarHBondContact O-N 2.92Å; A57-A61 PolarHBondContact O-N 2.73Å; A57-K252 HydrophobicContact CB-CB 4.02Å; A57-L253 HydrophobicContact CB-CB 3.88Å; A57-L253 HydrophobicContact CB-CD1 4.07Å
58A98.9Very high98.7Very high0 Ų030.2 Ų30.20%014%0.142CC..Hα-helixtrans-62.9-43.3176.700000112.1V54 K55 K56 M60 A61 N62 Q142 Y245V54-A58 WeakPolarHBondContact O-CB 3.43Å; V54-A58 PolarHBondContact O-N 3.16Å; K55-A58 PolarHBondContact O-N 3.47Å; K56-A58 PolarHBondContact O-N 2.99Å; A58-M60 VanDerWaalsContact C-N 3.34Å; A58-M60 PolarHBondContact O-N 3.12Å; A58-A61 PolarHBondContact O-N 2.88Å; A58-N62 VanDerWaalsContact O-CB 3.29Å; A58-N62 WeakPolarHBondContact O-CB 3.38Å; A58-N62 PolarHBondContact O-N 3.28Å; A58-N62 PolarHBondContact O-ND2 2.94Å; A58-Q142 HydrophobicContact CB-CG 4.23Å; A58-Q142 VanDerWaalsContact CB-NE2 3.26Å; A58-Y245 WeakPolarHBondContact CB-OH 3.17Å
59A98.9Very high98.7Very high4 Ų433.6 Ų33.63%0.03316%0.164CC..Hα-helixtrans-63-39.217600000112.2K55 K56 K63 I76 I77K55-A59 WeakPolarHBondContact O-CB 3.4Å; K55-A59 PolarHBondContact O-N 3.48Å; K56-A59 PolarHBondContact O-N 3.28Å; A59-K63 VanDerWaalsContact O-CB 3.3Å; A59-K63 WeakPolarHBondContact O-CB 3.44Å; A59-K63 PolarHBondContact O-N 2.83Å; A59-I76 HydrophobicContact CB-CB 4.06Å; A59-I76 HydrophobicContact CB-CG2 3.69Å; A59-I77 HydrophobicContact CB-CG1 3.88Å
60M98.9Very high98.7Very high46 Ų4635.6 Ų35.623%0.22718%0.175CC..Hα-helixtrans-63.3-44.9174.5-70.1169.572.600112K56 A57 A58 K63 E64 I77 K252 V256K56-M60 HydrophobicContact CG-SD 4.19Å; K56-M60 VanDerWaalsContact O-CG 3.28Å; K56-M60 WeakPolarHBondContact O-CG 3.48Å; K56-M60 PolarHBondContact O-N 2.92Å; A57-M60 PolarHBondContact O-N 2.92Å; A58-M60 VanDerWaalsContact C-N 3.34Å; A58-M60 PolarHBondContact O-N 3.12Å; M60-K63 PolarHBondContact O-N 3.48Å; M60-E64 PolarHBondContact O-N 3.08Å; M60-I77 HydrophobicContact CG-CD1 3.73Å; M60-I77 HydrophobicContact CG-CG1 4.06Å; M60-K252 HydrophobicContact CB-CB 4.24Å; M60-K252 HydrophobicContact CB-CD 4.26Å; M60-K252 HydrophobicContact CB-CG 3.9Å; M60-K252 HydrophobicContact CE-CD 4.02Å; M60-V256 HydrophobicContact SD-CG2 3.69Å
61A98.8Very high98.6Very high0 Ų039.3 Ų39.30%020%0.2CC..Hα-helixtrans-65.5-46.6177.300000111.8A57 A58 K63 E64 L65 Y245 L248 A249 K252A57-A61 PolarHBondContact O-N 2.73Å; A58-A61 PolarHBondContact O-N 2.88Å; A61-K63 VanDerWaalsContact C-N 3.29Å; A61-K63 PolarHBondContact O-N 2.9Å; A61-E64 PolarHBondContact O-N 3.01Å; A61-E64 VanDerWaalsContact O-N 3.14Å; A61-L65 WeakPolarHBondContact O-CB 3.49Å; A61-L65 WeakPolarHBondContact O-CG 3.35Å; A61-L65 PolarHBondContact O-N 3.13Å; A61-Y245 HydrophobicContact CB-CD2 4.35Å; A61-Y245 HydrophobicContact CB-CE2 4.21Å; A61-L248 HydrophobicContact CB-CB 4.45Å; A61-L248 HydrophobicContact CB-CD2 4.09Å; A61-L248 HydrophobicContact CB-CG 3.97Å; A61-A249 HydrophobicContact CB-CB 4Å; A61-K252 HydrophobicContact CB-CG 4.4Å
62N98.8Very high98.6Very high1 Ų139.8 Ų39.81%0.00520%0.203CC..Hα-helixtrans-62.4-34.6177.6-78-46.9000112.6A58 Q66 T67 I68 K140 C141A58-N62 VanDerWaalsContact O-CB 3.29Å; A58-N62 WeakPolarHBondContact O-CB 3.38Å; A58-N62 PolarHBondContact O-N 3.28Å; A58-N62 PolarHBondContact O-ND2 2.94Å; N62-Q66 WeakPolarHBondContact O-CA 3.49Å; N62-Q66 PolarHBondContact O-N 3.47Å; N62-T67 VanDerWaalsContact CA-OG1 3.25Å; N62-T67 WeakPolarHBondContact CA-OG1 3.31Å; N62-T67 WeakPolarHBondContact CB-OG1 3.35Å; N62-T67 PolarHBondContact O-N 3.42Å; N62-T67 PolarHBondContact O-OG1 2.99Å; N62-T67 PolarHBondContact OD1-OG1 3.26Å; N62-I68 HydrophobicContact CB-CD1 3.98Å; N62-I68 HydrophobicContact CB-CG1 4.04Å; N62-K140 PolarHBondContact ND2-O 2.88Å; N62-C141 PolarHBondContact OD1-SG 2.93Å
63K98.7Very high98.6Very high74 Ų7439.8 Ų39.832%0.32220%0.203SC..Hα-helixtrans-62.9-44.6172.5-176.9178.9167.8-177.80112.2A59 M60 A61 Q66 K70 A73 N74 I77A59-K63 VanDerWaalsContact O-CB 3.3Å; A59-K63 WeakPolarHBondContact O-CB 3.44Å; A59-K63 PolarHBondContact O-N 2.83Å; M60-K63 PolarHBondContact O-N 3.48Å; A61-K63 VanDerWaalsContact C-N 3.29Å; A61-K63 PolarHBondContact O-N 2.9Å; K63-Q66 PolarHBondContact O-N 3.48Å; K63-K70 HydrophobicContact CG-CG 4.46Å; K63-A73 HydrophobicContact CB-CB 3.66Å; K63-A73 HydrophobicContact CD-CB 4.22Å; K63-A73 HydrophobicContact CG-CB 4.02Å; K63-N74 VanDerWaalsContact CE-OD1 3.25Å; K63-N74 WeakPolarHBondContact CE-OD1 3.23Å; K63-N74 PolarHBondContact NZ-OD1 3.39Å; K63-I77 HydrophobicContact CD-CD1 4.28Å
64E98.6Very high98.6Very high109 Ų10941.6 Ų41.651%0.50921%0.214SC..Hα-helixtrans-70.2-40.2-178-171.4170150.200111.1M60 A61 Q66 L248 K252M60-E64 PolarHBondContact O-N 3.08Å; A61-E64 PolarHBondContact O-N 3.01Å; A61-E64 VanDerWaalsContact O-N 3.14Å; E64-Q66 VanDerWaalsContact C-N 3.28Å; E64-Q66 PolarHBondContact O-N 3.28Å; E64-L248 HydrophobicContact CB-CD2 4.01Å; E64-L248 HydrophobicContact CG-CD2 4.12Å; E64-K252 WeakPolarHBondContact OE2-CE 3.43Å; E64-K252 IonicContact OE2-NZ 2.91Å; E64-K252 PolarHBondContact OE2-NZ 3.43Å
65L98.5Very high98.6Very high49 Ų4942 Ų4226%0.25722%0.217SC..THydrogen-bonded Turntrans-81.5-3.1175.2-62.2175.3000114.2A61 T67 P242 E244 Y245 L248A61-L65 WeakPolarHBondContact O-CB 3.49Å; A61-L65 WeakPolarHBondContact O-CG 3.35Å; A61-L65 PolarHBondContact O-N 3.13Å; L65-T67 HydrophobicContact CB-CG2 4.06Å; L65-T67 PolarHBondContact O-N 3.35Å; L65-P242 HydrophobicContact CD1-CB 4.36Å; L65-P242 HydrophobicContact CD1-CG 4.4Å; L65-E244 HydrophobicContact CD1-CB 4.35Å; L65-E244 HydrophobicContact CD2-CB 3.8Å; L65-Y245 HydrophobicContact CD1-CD2 4.3Å; L65-L248 HydrophobicContact CD1-CD2 4.01Å; L65-L248 HydrophobicContact CD2-CD2 4.02Å; L65-L248 HydrophobicContact CG-CD2 3.7Å
66Q98.3Very high98.6Very high146 Ų14642 Ų4268%0.68222%0.218SC*.THydrogen-bonded Turntrans59.230.6176.6-49175.912.800113.8N62 K63 E64 I68N62-Q66 WeakPolarHBondContact O-CA 3.49Å; N62-Q66 PolarHBondContact O-N 3.47Å; K63-Q66 PolarHBondContact O-N 3.48Å; E64-Q66 VanDerWaalsContact C-N 3.28Å; E64-Q66 PolarHBondContact O-N 3.28Å; Q66-I68 VanDerWaalsContact C-N 3.32Å
67T98.1Very high98.6Very high34 Ų3441.5 Ų41.521%0.20922%0.216CC..SBendtrans-81-14.2179.155.80000113N62 L65 K140 P242N62-T67 VanDerWaalsContact CA-OG1 3.25Å; N62-T67 WeakPolarHBondContact CA-OG1 3.31Å; N62-T67 WeakPolarHBondContact CB-OG1 3.35Å; N62-T67 PolarHBondContact O-N 3.42Å; N62-T67 PolarHBondContact O-OG1 2.99Å; N62-T67 PolarHBondContact OD1-OG1 3.26Å; L65-T67 HydrophobicContact CB-CG2 4.06Å; L65-T67 PolarHBondContact O-N 3.35Å; T67-K140 WeakPolarHBondContact O-CE 3.49Å; T67-P242 HydrophobicContact CG2-CG 3.53Å
68I98.3Very high98.6Very high10 Ų1043.3 Ų43.35%0.05123%0.231CC..SBendtrans-135.4157.9170.264.4-176.6000110.1N62 Q66 K70 A73 I76 K140N62-I68 HydrophobicContact CB-CD1 3.98Å; N62-I68 HydrophobicContact CB-CG1 4.04Å; Q66-I68 VanDerWaalsContact C-N 3.32Å; I68-K70 PolarHBondContact O-N 2.92Å; I68-A73 HydrophobicContact CD1-CB 3.74Å; I68-A73 HydrophobicContact CG1-CB 3.96Å; I68-I76 HydrophobicContact CD1-CD1 4.26Å; I68-K140 HydrophobicContact CG2-CB 3.83Å; I68-K140 HydrophobicContact CG2-CD 4.15Å; I68-K140 HydrophobicContact CG2-CG 3.6Å
69P98.2Very high98.6Very high72 Ų7243.3 Ų43.347%0.46823%0.231SC..  trans-56.9138.5175.1-24.834.7000112.4S71 V72 A73P69-S71 VanDerWaalsContact C-N 3.27Å; P69-S71 PolarHBondContact O-N 3.4Å; P69-V72 HydrophobicContact CB-CB 4.33Å; P69-V72 HydrophobicContact CB-CG2 4.05Å; P69-V72 HydrophobicContact CG-CG2 4.26Å; P69-V72 WeakPolarHBondContact O-CB 3.47Å; P69-V72 PolarHBondContact O-N 3.41Å; P69-V72 VanDerWaalsContact O-N 3.12Å; P69-A73 PolarHBondContact O-N 2.9Å
70K98.4Very high98.6Very high128 Ų12843.1 Ų43.156%0.55723%0.23SC*.Hα-helixtrans-58.8-36.5-178.2-68.8-176.9-179.9177.10113.1K63 I68 A73 N74K63-K70 HydrophobicContact CG-CG 4.46Å; I68-K70 PolarHBondContact O-N 2.92Å; K70-A73 PolarHBondContact O-N 3.34Å; K70-N74 WeakPolarHBondContact O-CB 3.38Å; K70-N74 PolarHBondContact O-N 2.59Å; K70-N74 PolarHBondContact O-ND2 3.48Å
71S98Very high98.6Very high79 Ų7943 Ų4355%0.55223%0.23SC*.Hα-helixtrans-62.4-45.9176.747.60000111.6P69 N74 A75P69-S71 VanDerWaalsContact C-N 3.27Å; P69-S71 PolarHBondContact O-N 3.4Å; S71-N74 PolarHBondContact O-N 3.14Å; S71-A75 PolarHBondContact O-N 3.17Å
72V98.6Very high98.6Very high10 Ų1046 Ų466%0.06124%0.244CC..Hα-helixtrans-63.2-46.3176.5175.60000110.7P69 N74 A75 I76 L132 H137P69-V72 HydrophobicContact CB-CB 4.33Å; P69-V72 HydrophobicContact CB-CG2 4.05Å; P69-V72 HydrophobicContact CG-CG2 4.26Å; P69-V72 WeakPolarHBondContact O-CB 3.47Å; P69-V72 PolarHBondContact O-N 3.41Å; P69-V72 VanDerWaalsContact O-N 3.12Å; V72-N74 VanDerWaalsContact C-N 3.31Å; V72-N74 PolarHBondContact O-N 2.91Å; V72-A75 PolarHBondContact O-N 2.89Å; V72-A75 VanDerWaalsContact O-N 3.16Å; V72-I76 HydrophobicContact CG1-CD1 4.02Å; V72-I76 WeakPolarHBondContact O-CG1 3.41Å; V72-I76 PolarHBondContact O-N 3.19Å; V72-L132 HydrophobicContact CG1-CG 4.22Å; V72-H137 HydrophobicContact CG1-CB 3.65Å
73A98.8Very high98.6Very high0 Ų045.9 Ų45.90%024%0.243CC..Hα-helixtrans-59.7-41.6176.900000112.5K63 I68 P69 K70 A75 I76 I77K63-A73 HydrophobicContact CB-CB 3.66Å; K63-A73 HydrophobicContact CD-CB 4.22Å; K63-A73 HydrophobicContact CG-CB 4.02Å; I68-A73 HydrophobicContact CD1-CB 3.74Å; I68-A73 HydrophobicContact CG1-CB 3.96Å; P69-A73 PolarHBondContact O-N 2.9Å; K70-A73 PolarHBondContact O-N 3.34Å; A73-A75 VanDerWaalsContact C-N 3.34Å; A73-A75 PolarHBondContact O-N 2.8Å; A73-I76 PolarHBondContact O-N 3.02Å; A73-I77 WeakPolarHBondContact O-CD1 3.39Å; A73-I77 VanDerWaalsContact O-CG1 3.24Å; A73-I77 WeakPolarHBondContact O-CG1 3.26Å; A73-I77 PolarHBondContact O-N 3.47Å
74N98.8Very high98.6Very high74 Ų7443.9 Ų43.940%0.39624%0.236SC..Hα-helixtrans-63-40.3176.2-71.2-19.9000112K63 K70 S71 V72 I77 A78K63-N74 VanDerWaalsContact CE-OD1 3.25Å; K63-N74 WeakPolarHBondContact CE-OD1 3.23Å; K63-N74 PolarHBondContact NZ-OD1 3.39Å; K70-N74 WeakPolarHBondContact O-CB 3.38Å; K70-N74 PolarHBondContact O-N 2.59Å; K70-N74 PolarHBondContact O-ND2 3.48Å; S71-N74 PolarHBondContact O-N 3.14Å; V72-N74 VanDerWaalsContact C-N 3.31Å; V72-N74 PolarHBondContact O-N 2.91Å; N74-I77 PolarHBondContact O-N 3.45Å; N74-A78 WeakPolarHBondContact O-CB 3.41Å; N74-A78 PolarHBondContact O-N 3.28Å
75A98.8Very high98.6Very high9 Ų944.1 Ų44.17%0.07424%0.241CC..Hα-helixtrans-63.8-41.2176.800000111.9S71 V72 A73 A78 A79 M122 L132S71-A75 PolarHBondContact O-N 3.17Å; V72-A75 PolarHBondContact O-N 2.89Å; V72-A75 VanDerWaalsContact O-N 3.16Å; A73-A75 VanDerWaalsContact C-N 3.34Å; A73-A75 PolarHBondContact O-N 2.8Å; A75-A78 PolarHBondContact O-N 3.25Å; A75-A79 WeakPolarHBondContact O-CB 3.42Å; A75-A79 PolarHBondContact O-N 3.29Å; A75-M122 HydrophobicContact CB-CG 3.74Å; A75-M122 HydrophobicContact CB-SD 3.49Å; A75-M122 WeakPolarHBondContact CB-SD 3.35Å; A75-L132 HydrophobicContact CB-CD1 3.99Å
76I98.9Very high98.5Very high1 Ų146.9 Ų46.91%0.00526%0.256CS..Hα-helixtrans-64.9-45176-62.1165.2000110.9A59 I68 V72 A73 A78 A79 C80 L132 H137 V138A59-I76 HydrophobicContact CB-CB 4.06Å; A59-I76 HydrophobicContact CB-CG2 3.69Å; I68-I76 HydrophobicContact CD1-CD1 4.26Å; V72-I76 HydrophobicContact CG1-CD1 4.02Å; V72-I76 WeakPolarHBondContact O-CG1 3.41Å; V72-I76 PolarHBondContact O-N 3.19Å; A73-I76 PolarHBondContact O-N 3.02Å; I76-A78 VanDerWaalsContact C-N 3.35Å; I76-A78 PolarHBondContact O-N 3.34Å; I76-A79 PolarHBondContact O-N 2.99Å; I76-C80 PolarHBondContact O-N 2.86Å; I76-C80 PolarHBondContact O-SG 2.95Å; I76-L132 HydrophobicContact CG1-CD1 4.02Å; I76-L132 HydrophobicContact CG1-CD2 4.4Å; I76-L132 HydrophobicContact CG1-CG 4.43Å; I76-H137 HydrophobicContact CD1-CB 4.09Å; I76-V138 HydrophobicContact CD1-CG2 4.13Å; I76-V138 HydrophobicContact CG1-CG2 4.19Å; I76-V138 HydrophobicContact CG2-CG1 4.41Å
77I98.9Very high98.5Very high25 Ų2541.5 Ų41.513%0.12824%0.239CC..Hα-helixtrans-60.5-46.5178.1-68.1163.2000110.3A59 M60 K63 A73 N74 A79 C80 D81A59-I77 HydrophobicContact CB-CG1 3.88Å; M60-I77 HydrophobicContact CG-CD1 3.73Å; M60-I77 HydrophobicContact CG-CG1 4.06Å; K63-I77 HydrophobicContact CD-CD1 4.28Å; A73-I77 WeakPolarHBondContact O-CD1 3.39Å; A73-I77 VanDerWaalsContact O-CG1 3.24Å; A73-I77 WeakPolarHBondContact O-CG1 3.26Å; A73-I77 PolarHBondContact O-N 3.47Å; N74-I77 PolarHBondContact O-N 3.45Å; I77-A79 PolarHBondContact O-N 3.48Å; I77-C80 WeakPolarHBondContact O-CB 3.33Å; I77-C80 PolarHBondContact O-N 3.19Å; I77-D81 PolarHBondContact O-N 2.89Å
78A98.8Very high98.5Very high39 Ų3942.2 Ų42.232%0.32224%0.24SC..Hα-helixtrans-63.2-40.2177.300000112.2N74 A75 I76 C80 D81 E82 L121N74-A78 WeakPolarHBondContact O-CB 3.41Å; N74-A78 PolarHBondContact O-N 3.28Å; A75-A78 PolarHBondContact O-N 3.25Å; I76-A78 VanDerWaalsContact C-N 3.35Å; I76-A78 PolarHBondContact O-N 3.34Å; A78-C80 VanDerWaalsContact C-N 3.34Å; A78-C80 PolarHBondContact O-N 3.26Å; A78-D81 WeakPolarHBondContact O-CB 3.1Å; A78-D81 PolarHBondContact O-N 2.94Å; A78-E82 PolarHBondContact O-N 3.32Å; A78-L121 HydrophobicContact CB-CD1 3.9Å
79A98.9Very high98.4Very high0 Ų042.5 Ų42.50%024%0.242CC..Hα-helixtrans-61.4-41.9173.700000112.1A75 I76 I77 D81 E82 V83 L114 I117 L121A75-A79 WeakPolarHBondContact O-CB 3.42Å; A75-A79 PolarHBondContact O-N 3.29Å; I76-A79 PolarHBondContact O-N 2.99Å; I77-A79 PolarHBondContact O-N 3.48Å; A79-D81 VanDerWaalsContact C-N 3.31Å; A79-D81 PolarHBondContact O-N 3.31Å; A79-E82 PolarHBondContact O-N 2.83Å; A79-V83 PolarHBondContact O-N 3.47Å; A79-L114 HydrophobicContact CB-CD2 4.33Å; A79-I117 HydrophobicContact CB-CB 3.88Å; A79-I117 HydrophobicContact CB-CG2 3.59Å; A79-L121 HydrophobicContact CB-CD1 4.33Å
80C98.9Very high98.4Very high0 Ų040.4 Ų40.40%023%0.227CC..Hα-helixtrans-62.5-40.4174.2-63.30000111.5V52 K56 I76 I77 A78 V83 L84V52-C80 HydrophobicContact CG1-CB 3.7Å; K56-C80 HydrophobicContact CB-CB 3.74Å; K56-C80 HydrophobicContact CD-CB 4.15Å; K56-C80 HydrophobicContact CG-CB 4.05Å; I76-C80 PolarHBondContact O-N 2.86Å; I76-C80 PolarHBondContact O-SG 2.95Å; I77-C80 WeakPolarHBondContact O-CB 3.33Å; I77-C80 PolarHBondContact O-N 3.19Å; A78-C80 VanDerWaalsContact C-N 3.34Å; A78-C80 PolarHBondContact O-N 3.26Å; C80-V83 PolarHBondContact O-N 2.9Å; C80-L84 WeakPolarHBondContact O-CB 3.39Å; C80-L84 VanDerWaalsContact O-CG 3.28Å; C80-L84 WeakPolarHBondContact O-CG 3.35Å; C80-L84 PolarHBondContact O-N 3.2Å
81D98.8Very high98.4Very high44 Ų4439.4 Ų39.424%0.23523%0.227CC..Hα-helixtrans-62.9-38.9176.8-75.6-33.9000112.5K56 I77 A78 A79 V83 L84 N85K56-D81 VanDerWaalsContact CE-OD1 3.31Å; K56-D81 WeakPolarHBondContact CE-OD1 3.46Å; K56-D81 IonicContact NZ-OD1 2.63Å; K56-D81 PolarHBondContact NZ-OD1 2.82Å; K56-D81 IonicContact NZ-OD2 3.86Å; I77-D81 PolarHBondContact O-N 2.89Å; A78-D81 WeakPolarHBondContact O-CB 3.1Å; A78-D81 PolarHBondContact O-N 2.94Å; A79-D81 VanDerWaalsContact C-N 3.31Å; A79-D81 PolarHBondContact O-N 3.31Å; D81-V83 VanDerWaalsContact C-N 3.33Å; D81-V83 PolarHBondContact O-N 2.84Å; D81-L84 PolarHBondContact O-N 3.23Å; D81-N85 WeakPolarHBondContact O-CB 3.27Å; D81-N85 PolarHBondContact O-N 3.5Å; D81-N85 PolarHBondContact O-ND2 2.84Å
82E98.6Very high98.4Very high61 Ų6137 Ų3729%0.28521%0.207SC..Hα-helixtrans-60.5-41.2173.7-73.7-59.7139.400112.3A78 A79 N86 G87 K88 I117 L121A78-E82 PolarHBondContact O-N 3.32Å; A79-E82 PolarHBondContact O-N 2.83Å; E82-N86 VanDerWaalsContact CD-ND2 3.27Å; E82-N86 CarbonylContact O-C 3.58Å; E82-N86 WeakPolarHBondContact O-CA 3.27Å; E82-N86 VanDerWaalsContact O-CB 3.3Å; E82-N86 WeakPolarHBondContact O-CB 3.24Å; E82-N86 PolarHBondContact O-N 3.11Å; E82-N86 VanDerWaalsContact O-N 3.13Å; E82-N86 PolarHBondContact OE1-ND2 3.44Å; E82-N86 PolarHBondContact OE2-ND2 2.79Å; E82-G87 PolarHBondContact O-N 3.46Å; E82-K88 HydrophobicContact CB-CB 4.09Å; E82-K88 HydrophobicContact CB-CD 4.11Å; E82-K88 HydrophobicContact CG-CD 4.47Å; E82-K88 PolarHBondContact O-N 3.32Å; E82-I117 HydrophobicContact CB-CG2 4.42Å; E82-L121 HydrophobicContact CG-CD1 4.45Å
83V98.7Very high98.4Very high0 Ų036.6 Ų36.60%020%0.204CC..Hα-helixtrans-71.9-47.2177.8-176.30000111.1V48 V52 A79 C80 D81 G87 K88 M90 L114 I117V48-V83 HydrophobicContact CG1-CG1 4.45Å; V52-V83 HydrophobicContact CG1-CB 4.19Å; V52-V83 HydrophobicContact CG1-CG1 4.49Å; V52-V83 HydrophobicContact CG2-CB 4.34Å; V52-V83 HydrophobicContact CG2-CG1 3.92Å; A79-V83 PolarHBondContact O-N 3.47Å; C80-V83 PolarHBondContact O-N 2.9Å; D81-V83 VanDerWaalsContact C-N 3.33Å; D81-V83 PolarHBondContact O-N 2.84Å; V83-G87 VanDerWaalsContact O-CA 3.25Å; V83-G87 WeakPolarHBondContact O-CA 3.39Å; V83-G87 PolarHBondContact O-N 3.28Å; V83-G87 VanDerWaalsContact O-N 3.09Å; V83-K88 WeakPolarHBondContact CG2-O 3.4Å; V83-M90 HydrophobicContact CG1-SD 3.62Å; V83-L114 HydrophobicContact CG2-CD2 3.91Å; V83-I117 HydrophobicContact CG2-CD1 3.6Å
84L98.6Very high98.3Very high31 Ų3137.4 Ų37.416%0.16221%0.21CC..Hα-helixtrans-71-41.9-174.4-67.5174.6000113R49 V52 M53 K56 C80 D81R49-L84 HydrophobicContact CB-CD2 4.07Å; R49-L84 HydrophobicContact CG-CD2 4.12Å; V52-L84 HydrophobicContact CB-CD2 4.08Å; V52-L84 HydrophobicContact CB-CG 4.38Å; V52-L84 HydrophobicContact CG1-CD1 4.05Å; V52-L84 HydrophobicContact CG1-CD2 3.93Å; V52-L84 HydrophobicContact CG1-CG 3.67Å; M53-L84 HydrophobicContact CE-CD2 4.13Å; M53-L84 HydrophobicContact CG-CD1 4.02Å; M53-L84 HydrophobicContact CG-CD2 3.87Å; K56-L84 HydrophobicContact CD-CD1 4.08Å; C80-L84 WeakPolarHBondContact O-CB 3.39Å; C80-L84 VanDerWaalsContact O-CG 3.28Å; C80-L84 WeakPolarHBondContact O-CG 3.35Å; C80-L84 PolarHBondContact O-N 3.2Å; D81-L84 PolarHBondContact O-N 3.23Å
85N98.1Very high98.3Very high115 Ų11533.9 Ų33.962%0.61519%0.191SC*.Hα-helixtrans-92.9-37.6-173.4-55.5-37.9000112.3D81D81-N85 WeakPolarHBondContact O-CB 3.27Å; D81-N85 PolarHBondContact O-N 3.5Å; D81-N85 PolarHBondContact O-ND2 2.84Å
86N97.8Very high98.3Very high107 Ų10733.9 Ų33.957%0.57219%0.19SC*.Hα-helixtrans-107.6-6.8-174-53.5-36.4000113.3E82 K88E82-N86 VanDerWaalsContact CD-ND2 3.27Å; E82-N86 CarbonylContact O-C 3.58Å; E82-N86 WeakPolarHBondContact O-CA 3.27Å; E82-N86 VanDerWaalsContact O-CB 3.3Å; E82-N86 WeakPolarHBondContact O-CB 3.24Å; E82-N86 PolarHBondContact O-N 3.11Å; E82-N86 VanDerWaalsContact O-N 3.13Å; E82-N86 PolarHBondContact OE1-ND2 3.44Å; E82-N86 PolarHBondContact OE2-ND2 2.79Å; N86-K88 PolarHBondContact O-N 3.39Å
87G97.4Very high98.2Very high32 Ų3234.1 Ų34.133%0.3319%0.191SC..  trans6723.3-177.500000113.5E82 V83 C89 M90E82-G87 PolarHBondContact O-N 3.46Å; V83-G87 VanDerWaalsContact O-CA 3.25Å; V83-G87 WeakPolarHBondContact O-CA 3.39Å; V83-G87 PolarHBondContact O-N 3.28Å; V83-G87 VanDerWaalsContact O-N 3.09Å; G87-C89 PolarHBondContact O-N 2.92Å; G87-M90 WeakPolarHBondContact O-CG 3.37Å
88K97.7Very high98.2Very high50 Ų5036.6 Ų36.622%0.21720%0.2CC..THydrogen-bonded Turntrans-60.1131.6179.6-175.1167.1-177.51750109.8Y22 E82 V83 N86 M90 I117 E120Y22-K88 VanDerWaalsContact OH-CE 3.29Å; Y22-K88 WeakPolarHBondContact OH-CE 3.34Å; E82-K88 HydrophobicContact CB-CB 4.09Å; E82-K88 HydrophobicContact CB-CD 4.11Å; E82-K88 HydrophobicContact CG-CD 4.47Å; E82-K88 PolarHBondContact O-N 3.32Å; V83-K88 WeakPolarHBondContact CG2-O 3.4Å; N86-K88 PolarHBondContact O-N 3.39Å; K88-M90 VanDerWaalsContact C-N 3.3Å; K88-M90 PolarHBondContact O-N 3.44Å; K88-I117 HydrophobicContact CD-CG2 4.46Å; K88-E120 IonicContact NZ-OE1 2.59Å; K88-E120 PolarHBondContact NZ-OE1 2.9Å
89C97.3Very high98.1Very high15 Ų1535.6 Ų35.610%0.10119%0.188CC..THydrogen-bonded Turntrans60.926.1172.2-590000116.1Y22 G87 D91 Q92 F93 V113 I117Y22-C89 WeakPolarHBondContact CD2-SG 3.29Å; Y22-C89 WeakPolarHBondContact CE2-SG 3.43Å; Y22-C89 VanDerWaalsContact CG-SG 3.58Å; Y22-C89 VanDerWaalsContact CZ-SG 3.57Å; G87-C89 PolarHBondContact O-N 2.92Å; C89-D91 PolarHBondContact O-N 2.81Å; C89-Q92 HydrophobicContact CB-CB 4.04Å; C89-Q92 HydrophobicContact CB-CG 3.64Å; C89-Q92 VanDerWaalsContact O-CB 3.29Å; C89-Q92 WeakPolarHBondContact O-CB 3.46Å; C89-Q92 PolarHBondContact O-N 3.28Å; C89-F93 WeakPolarHBondContact O-CE2 3.41Å; C89-V113 HydrophobicContact CB-CG1 4.1Å; C89-I117 HydrophobicContact CB-CD1 4.13Å
90M97.6Very high98Very high29 Ų2937.3 Ų37.314%0.14321%0.206CC..THydrogen-bonded Turntrans-63.1-23.5177.2-68-67-62.100113.4S42 P45 V48 R49 V83 G87 K88 Q92S42-M90 WeakPolarHBondContact CB-O 3.46Å; P45-M90 HydrophobicContact CB-CE 3.77Å; V48-M90 HydrophobicContact CB-CE 3.69Å; V48-M90 HydrophobicContact CB-SD 4.31Å; V48-M90 HydrophobicContact CG1-CE 3.71Å; V48-M90 HydrophobicContact CG1-SD 3.63Å; V48-M90 HydrophobicContact CG2-CE 4.33Å; R49-M90 HydrophobicContact CG-CE 4.36Å; V83-M90 HydrophobicContact CG1-SD 3.62Å; G87-M90 WeakPolarHBondContact O-CG 3.37Å; K88-M90 VanDerWaalsContact C-N 3.3Å; K88-M90 PolarHBondContact O-N 3.44Å; M90-Q92 VanDerWaalsContact C-N 3.3Å
91D97.7Very high97.7Very high106 Ų10639.6 Ų39.657%0.56723%0.229SC*.THydrogen-bonded Turntrans-78-11.5173.664.4-56.2000113.4C89 F93C89-D91 PolarHBondContact O-N 2.81Å; D91-F93 PolarHBondContact O-N 3.05Å; D91-F93 VanDerWaalsContact O-N 3.15Å
92Q98.4Very high97.6Very high30 Ų3037.7 Ų37.714%0.1422%0.22CC..  trans-85.822.7-176.8-56.3-68.8-5700112.8Y22 C89 M90 P94 N109 V113Y22-Q92 HydrophobicContact CD2-CG 4.2Å; C89-Q92 HydrophobicContact CB-CB 4.04Å; C89-Q92 HydrophobicContact CB-CG 3.64Å; C89-Q92 VanDerWaalsContact O-CB 3.29Å; C89-Q92 WeakPolarHBondContact O-CB 3.46Å; C89-Q92 PolarHBondContact O-N 3.28Å; M90-Q92 VanDerWaalsContact C-N 3.3Å; Q92-P94 WeakPolarHBondContact O-CD 3.32Å; Q92-N109 PolarHBondContact O-ND2 2.94Å; Q92-V113 HydrophobicContact CB-CG2 3.93Å; Q92-V113 WeakPolarHBondContact O-CG2 3.43Å
93F98.6Very high97.5Very high0 Ų034.8 Ų34.80%021%0.207CC..  trans-115.960.6175-64.8-95.9000111.6I41 S42 V48 C89 D91 V95 N109 T110 V113I41-F93 HydrophobicContact CB-CB 4.23Å; I41-F93 HydrophobicContact CG2-CB 4.12Å; S42-F93 PolarHBondContact N-O 2.98Å; V48-F93 HydrophobicContact CB-CD2 4.45Å; V48-F93 HydrophobicContact CG1-CD1 4.28Å; V48-F93 HydrophobicContact CG1-CD2 3.67Å; V48-F93 HydrophobicContact CG1-CE1 4Å; V48-F93 HydrophobicContact CG1-CE2 3.38Å; V48-F93 HydrophobicContact CG1-CG 4.13Å; V48-F93 HydrophobicContact CG1-CZ 3.56Å; V48-F93 HydrophobicContact CG2-CB 3.93Å; V48-F93 HydrophobicContact CG2-CD1 4.05Å; V48-F93 HydrophobicContact CG2-CD2 3.87Å; V48-F93 HydrophobicContact CG2-CE2 4.42Å; V48-F93 HydrophobicContact CG2-CG 3.67Å; C89-F93 WeakPolarHBondContact O-CE2 3.41Å; D91-F93 PolarHBondContact O-N 3.05Å; D91-F93 VanDerWaalsContact O-N 3.15Å; F93-V95 VanDerWaalsContact C-N 3.29Å; F93-V95 PolarHBondContact O-N 3.46Å; F93-N109 VanDerWaalsContact CA-OD1 3.29Å; F93-N109 WeakPolarHBondContact CA-OD1 3.48Å; F93-T110 HydrophobicContact CE1-CG2 4.42Å; F93-V113 HydrophobicContact CE2-CG1 4.1Å; F93-V113 HydrophobicContact CE2-CG2 4.5Å; F93-V113 HydrophobicContact CZ-CB 4.18Å; F93-V113 HydrophobicContact CZ-CG1 4.06Å; F93-V113 HydrophobicContact CZ-CG2 4.37Å
94P98Very high97.5Very high18 Ų1837.5 Ų37.512%0.11722%0.223CC..  trans-82.41.1-165.936.3-41.5000114.9Y23 T27 I31 K40 Q92Y23-P94 HydrophobicContact CD1-CG 3.99Å; Y23-P94 HydrophobicContact CE1-CG 4.01Å; T27-P94 HydrophobicContact CG2-CG 4Å; I31-P94 HydrophobicContact CD1-CB 4.1Å; I31-P94 HydrophobicContact CD1-CG 3.39Å; I31-P94 HydrophobicContact CG1-CB 4.31Å; I31-P94 HydrophobicContact CG1-CG 3.82Å; K40-P94 HydrophobicContact CD-CB 4.47Å; Q92-P94 WeakPolarHBondContact O-CD 3.32Å
95V98Very high97.5Very high0 Ų036.9 Ų36.90%022%0.221CC..  trans-63.9141.6-178.5-173.20000109.9T27 A30 K40 I41 F93 Q99 N109T27-V95 HydrophobicContact CG2-CG2 3.81Å; A30-V95 HydrophobicContact CB-CG1 3.99Å; A30-V95 HydrophobicContact CB-CG2 3.99Å; K40-V95 CarbonylContact C-O 3.32Å; K40-V95 VanDerWaalsContact CA-O 3.29Å; K40-V95 WeakPolarHBondContact CA-O 3.37Å; I41-V95 HydrophobicContact CG1-CB 4.35Å; I41-V95 WeakPolarHBondContact CG1-O 3.24Å; I41-V95 PolarHBondContact N-O 3.48Å; F93-V95 VanDerWaalsContact C-N 3.29Å; F93-V95 PolarHBondContact O-N 3.46Å; V95-Q99 HydrophobicContact CG1-CB 4.34Å; V95-Q99 VanDerWaalsContact CG1-NE2 3.27Å; V95-N109 HydrophobicContact CG2-CB 4.37Å; V95-N109 WeakPolarHBondContact CG2-OD1 3.45Å
96D98.3Very high97.5Very high9 Ų931.4 Ų31.45%0.04819%0.192CC..BIsolated β-bridgetrans-61.3144.3174-160.3-46.1000111.1F34 I36 S37 Y98 Q99F34-D96 HydrophobicContact CB-CB 4.4Å; F34-D96 WeakPolarHBondContact O-CB 3.41Å; I36-D96 WeakPolarHBondContact CA-OD2 3.47Å; I36-D96 PolarHBondContact N-OD2 2.9Å; S37-D96 PolarHBondContact N-OD2 2.8Å; S37-D96 PolarHBondContact OG-OD1 2.84Å; D96-Y98 PolarHBondContact O-N 3.39Å; D96-Y98 WeakPolarHBondContact OD1-CD2 3.44Å; D96-Y98 PolarHBondContact OD1-N 3.21Å; D96-Q99 PolarHBondContact O-NE2 3.41Å; D96-Q99 VanDerWaalsContact O-NE2 3.1Å
97V97.8Very high97.6Very high6 Ų626.3 Ų26.34%0.03617%0.165CC..SBendtrans-61.9-27.5173-61.90000111.6N39 I41 I44 Q370N39-V97 HydrophobicContact CB-CG1 4.14Å; N39-V97 HydrophobicContact CB-CG2 3.85Å; N39-V97 PolarHBondContact O-N 2.66Å; I41-V97 HydrophobicContact CD1-CG1 4.34Å; I44-V97 HydrophobicContact CD1-CG1 3.88Å; V97-Q370 HydrophobicContact CB-CB 4.28Å; V97-Q370 HydrophobicContact CB-CG 4.21Å; V97-Q370 HydrophobicContact CG2-CB 4.24Å; V97-Q370 HydrophobicContact CG2-CG 3.67Å
98Y98Very high97.7Very high77 Ų7725.3 Ų25.330%0.30215%0.152SC..SBendtrans-95.5105.5170-56-81.6000110.2I36 D96 V367 Q370I36-Y98 HydrophobicContact CB-CD2 4.38Å; I36-Y98 HydrophobicContact CB-CG 4.47Å; I36-Y98 HydrophobicContact CG2-CD2 4.06Å; I36-Y98 HydrophobicContact CG2-CG 4.09Å; D96-Y98 PolarHBondContact O-N 3.39Å; D96-Y98 WeakPolarHBondContact OD1-CD2 3.44Å; D96-Y98 PolarHBondContact OD1-N 3.21Å; Y98-V367 HydrophobicContact CD1-CG2 4.36Å; Y98-V367 HydrophobicContact CE1-CG2 3.99Å; Y98-Q370 HydrophobicContact CE1-CB 4.4Å; Y98-Q370 HydrophobicContact CE1-CG 4.08Å; Y98-Q370 HydrophobicContact CE2-CG 4.17Å; Y98-Q370 VanDerWaalsContact OH-CD 3.22Å; Y98-Q370 PolarHBondContact OH-OE1 3.15Å
99Q97.3Very high97.7Very high17 Ų1722.9 Ų22.98%0.07914%0.141CC..  trans-136146.9-18062.4-172-105.600111.4F34 V95 D96 S105 P366F34-Q99 HydrophobicContact CD2-CB 3.62Å; F34-Q99 HydrophobicContact CE2-CB 3.97Å; F34-Q99 HydrophobicContact CG-CB 4.1Å; V95-Q99 HydrophobicContact CG1-CB 4.34Å; V95-Q99 VanDerWaalsContact CG1-NE2 3.27Å; D96-Q99 PolarHBondContact O-NE2 3.41Å; D96-Q99 VanDerWaalsContact O-NE2 3.1Å; Q99-S105 VanDerWaalsContact OE1-CB 3.28Å; Q99-P366 HydrophobicContact CG-CB 3.97Å; Q99-P366 HydrophobicContact CG-CG 3.91Å
100G95.5Very high97.8Very high36 Ų3622.2 Ų22.237%0.37114%0.136SC..SBendtrans-76.9163.8166.700000111.7
101G93.5Very high97.8Very high48 Ų4820.8 Ų20.850%0.49513%0.13SC..SBendtrans86.526174.100000115.3G103 T104G101-G103 VanDerWaalsContact C-N 3.31Å; G101-G103 PolarHBondContact O-N 3.11Å; G101-T104 WeakPolarHBondContact O-CB 3.34Å; G101-T104 PolarHBondContact O-N 3.07Å; G101-T104 PolarHBondContact O-OG1 3.14Å
102A96.1Very high97.9Very high5 Ų515.9 Ų15.94%0.04110%0.103CC..THydrogen-bonded Turntrans55.339.4168.300000114.3T104 T144 L361 V363A102-T104 VanDerWaalsContact C-N 3.33Å; A102-T104 PolarHBondContact O-N 2.73Å; A102-T144 WeakPolarHBondContact O-CG2 3.17Å; A102-L361 HydrophobicContact CB-CD2 3.85Å; A102-V363 HydrophobicContact CB-CB 4.03Å; A102-V363 HydrophobicContact CB-CG1 4.05Å
103G97.9Very high97.9Very high0 Ų014.4 Ų14.40%010%0.096CC..THydrogen-bonded Turntrans82.43.8-179.800000115.4G101 S105 V106 N107 Y148G101-G103 VanDerWaalsContact C-N 3.31Å; G101-G103 PolarHBondContact O-N 3.11Å; G103-S105 PolarHBondContact O-N 3.44Å; G103-V106 PolarHBondContact O-N 3.12Å; G103-N107 PolarHBondContact O-N 3.14Å; G103-Y148 VanDerWaalsContact CA-CE2 3.44Å
104T98.5Very high97.9Very high56 Ų5614.4 Ų14.434%0.34410%0.096SC..Hα-helixtrans-59.3-35.7179.9-650000112G101 A102 N107 M108 T144G101-T104 WeakPolarHBondContact O-CB 3.34Å; G101-T104 PolarHBondContact O-N 3.07Å; G101-T104 PolarHBondContact O-OG1 3.14Å; A102-T104 VanDerWaalsContact C-N 3.33Å; A102-T104 PolarHBondContact O-N 2.73Å; T104-N107 PolarHBondContact O-N 3.19Å; T104-M108 HydrophobicContact CG2-CG 4.23Å; T104-M108 WeakPolarHBondContact O-CB 3.2Å; T104-M108 PolarHBondContact O-N 3.47Å; T104-T144 VanDerWaalsContact CA-CG2 3.47Å; T104-T144 WeakPolarHBondContact CA-OG1 3.42Å; T104-T144 WeakPolarHBondContact OG1-CG2 3.39Å; T104-T144 PolarHBondContact OG1-OG1 3.35Å
105S98.4Very high98Very high18 Ų1813.6 Ų13.613%0.1269%0.091CC..Hα-helixtrans-65.8-38.9176.5-56.20000112A30 Q99 G103 N109A30-S105 VanDerWaalsContact CB-CB 3.43Å; A30-S105 WeakPolarHBondContact CB-OG 3.36Å; Q99-S105 VanDerWaalsContact OE1-CB 3.28Å; G103-S105 PolarHBondContact O-N 3.44Å; S105-N109 WeakPolarHBondContact O-CB 3.45Å; S105-N109 PolarHBondContact O-N 3.36Å
106V98.6Very high98Very high1 Ų113.6 Ų13.61%0.0069%0.091CC..Hα-helixtrans-65.6-43.8173.3-174.90000111.7I41 M51 G103 N109 T110 Y148I41-V106 HydrophobicContact CD1-CG2 3.77Å; I41-V106 HydrophobicContact CG1-CG2 3.82Å; I41-V106 HydrophobicContact CG2-CG1 4.28Å; M51-V106 HydrophobicContact CG-CG1 4.06Å; G103-V106 PolarHBondContact O-N 3.12Å; V106-N109 PolarHBondContact O-N 3.49Å; V106-T110 PolarHBondContact O-N 2.83Å; V106-T110 PolarHBondContact O-OG1 2.98Å; V106-Y148 HydrophobicContact CB-CD2 4.08Å; V106-Y148 HydrophobicContact CB-CE2 3.97Å; V106-Y148 HydrophobicContact CG1-CE2 4.44Å; V106-Y148 HydrophobicContact CG2-CE2 3.99Å
107N98.8Very high98Very high0 Ų013.1 Ų13.10%09%0.089CC..Hα-helixtrans-61.5-49.1179-175.942.4000111.1M51 K55 G103 T104 T110 N111 N139 T144M51-N107 HydrophobicContact CE-CB 4.26Å; K55-N107 VanDerWaalsContact CE-OD1 3.24Å; K55-N107 WeakPolarHBondContact CE-OD1 3.14Å; K55-N107 PolarHBondContact NZ-OD1 2.86Å; G103-N107 PolarHBondContact O-N 3.14Å; T104-N107 PolarHBondContact O-N 3.19Å; N107-T110 WeakPolarHBondContact O-CB 3.48Å; N107-T110 PolarHBondContact O-N 3.42Å; N107-N111 PolarHBondContact O-N 3.23Å; N107-N111 PolarHBondContact O-ND2 3.42Å; N107-N139 PolarHBondContact ND2-OD1 3.31Å; N107-N139 VanDerWaalsContact ND2-OD1 3.12Å; N107-N139 PolarHBondContact OD1-OD1 2.9Å; N107-T144 HydrophobicContact CB-CG2 4.05Å; N107-T144 WeakPolarHBondContact ND2-CA 3.17Å; N107-T144 PolarHBondContact ND2-OG1 3.37Å; N107-T144 VanDerWaalsContact ND2-OG1 3.14Å
108M98.7Very high98.1Very high10 Ų1012.9 Ų12.95%0.0499%0.087CC..Hα-helixtrans-66.7-37.4177.1-73-50.8-63.800112.9H26 T104 T110 N111 E112 P134 N135H26-M108 HydrophobicContact CB-CB 3.79Å; H26-M108 HydrophobicContact CB-CG 4.32Å; H26-M108 WeakPolarHBondContact CD2-CE 3.47Å; T104-M108 HydrophobicContact CG2-CG 4.23Å; T104-M108 WeakPolarHBondContact O-CB 3.2Å; T104-M108 PolarHBondContact O-N 3.47Å; M108-T110 VanDerWaalsContact C-N 3.3Å; M108-T110 PolarHBondContact O-N 2.74Å; M108-N111 WeakPolarHBondContact O-CB 3.46Å; M108-N111 PolarHBondContact O-N 3.22Å; M108-N111 VanDerWaalsContact O-N 3.14Å; M108-N111 HydrophobicContact SD-CB 4.5Å; M108-N111 PolarHBondContact SD-ND2 3.26Å; M108-N111 VanDerWaalsContact SD-ND2 3.43Å; M108-E112 WeakPolarHBondContact O-CB 3.38Å; M108-E112 VanDerWaalsContact O-CG 3.3Å; M108-E112 WeakPolarHBondContact O-CG 3.05Å; M108-E112 PolarHBondContact O-N 3.14Å; M108-P134 HydrophobicContact CE-CB 4.2Å; M108-N135 VanDerWaalsContact CE-OD1 3.32Å; M108-N135 WeakPolarHBondContact CE-OD1 3.42Å; M108-N135 PolarHBondContact SD-OD1 3.5Å
109N98.8Very high98.1Very high0 Ų09.2 Ų9.20%07%0.072CC..Hα-helixtrans-60.3-42.7173.9-173.3178000111.6T27 Q92 F93 V95 S105 V106 E112 V113T27-N109 HydrophobicContact CG2-CB 4.07Å; T27-N109 WeakPolarHBondContact CG2-OD1 3.38Å; T27-N109 WeakPolarHBondContact OG1-CA 3.32Å; T27-N109 WeakPolarHBondContact OG1-CB 3.41Å; T27-N109 PolarHBondContact OG1-ND2 3.08Å; Q92-N109 PolarHBondContact O-ND2 2.94Å; F93-N109 VanDerWaalsContact CA-OD1 3.29Å; F93-N109 WeakPolarHBondContact CA-OD1 3.48Å; V95-N109 HydrophobicContact CG2-CB 4.37Å; V95-N109 WeakPolarHBondContact CG2-OD1 3.45Å; S105-N109 WeakPolarHBondContact O-CB 3.45Å; S105-N109 PolarHBondContact O-N 3.36Å; V106-N109 PolarHBondContact O-N 3.49Å; N109-E112 PolarHBondContact O-N 3.03Å; N109-V113 WeakPolarHBondContact ND2-CG2 3.43Å; N109-V113 WeakPolarHBondContact O-CB 3.25Å; N109-V113 VanDerWaalsContact O-CG2 3.29Å; N109-V113 WeakPolarHBondContact O-CG2 3.3Å; N109-V113 PolarHBondContact O-N 3.22Å
110T98.9Very high98.2Very high0 Ų011.9 Ų11.90%09%0.085CC..Hα-helixtrans-62.2-44.5173.9-50.30000111.1M51 V52 K55 F93 V106 N107 M108 L114M51-T110 HydrophobicContact CB-CG2 3.95Å; V52-T110 HydrophobicContact CG2-CG2 4.16Å; K55-T110 HydrophobicContact CG-CG2 3.85Å; F93-T110 HydrophobicContact CE1-CG2 4.42Å; V106-T110 PolarHBondContact O-N 2.83Å; V106-T110 PolarHBondContact O-OG1 2.98Å; N107-T110 WeakPolarHBondContact O-CB 3.48Å; N107-T110 PolarHBondContact O-N 3.42Å; M108-T110 VanDerWaalsContact C-N 3.3Å; M108-T110 PolarHBondContact O-N 2.74Å; T110-L114 HydrophobicContact CG2-CD1 3.84Å; T110-L114 HydrophobicContact CG2-CG 4.38Å; T110-L114 WeakPolarHBondContact O-CB 3.5Å; T110-L114 VanDerWaalsContact O-CG 3.28Å; T110-L114 WeakPolarHBondContact O-CG 3.35Å; T110-L114 PolarHBondContact O-N 3.43Å
111N98.9Very high98.3Very high0 Ų014.2 Ų14.20%09%0.088CC..Hα-helixtrans-61.4-46.8178.7-65.7-29.3000112.2K55 N107 M108 A115 P134 V138 N139K55-N111 WeakPolarHBondContact CE-OD1 3.24Å; K55-N111 PolarHBondContact NZ-OD1 2.98Å; N107-N111 PolarHBondContact O-N 3.23Å; N107-N111 PolarHBondContact O-ND2 3.42Å; M108-N111 WeakPolarHBondContact O-CB 3.46Å; M108-N111 PolarHBondContact O-N 3.22Å; M108-N111 VanDerWaalsContact O-N 3.14Å; M108-N111 HydrophobicContact SD-CB 4.5Å; M108-N111 PolarHBondContact SD-ND2 3.26Å; M108-N111 VanDerWaalsContact SD-ND2 3.43Å; N111-A115 WeakPolarHBondContact O-CB 3.48Å; N111-A115 PolarHBondContact O-N 3.06Å; N111-P134 HydrophobicContact CB-CB 3.87Å; N111-V138 HydrophobicContact CB-CB 4.3Å; N111-V138 HydrophobicContact CB-CG1 4.3Å; N111-N139 WeakPolarHBondContact ND2-CB 3.29Å; N111-N139 VanDerWaalsContact ND2-CG 3.35Å; N111-N139 PolarHBondContact ND2-OD1 3.41Å
112E98.9Very high98.5Very high2 Ų215.1 Ų15.11%0.0098%0.081CC..Hα-helixtrans-65.5-46.5-179.3-71173.3154.200111.9Y22 G24 V25 H26 T27 M108 N109 A115 N116 P134Y22-E112 CarbonylContact O-C 3.56Å; G24-E112 VanDerWaalsContact C-CD 3.5Å; G24-E112 VanDerWaalsContact C-OE1 3.23Å; G24-E112 WeakPolarHBondContact CA-OE1 3.29Å; G24-E112 VanDerWaalsContact CA-OE2 3.31Å; G24-E112 WeakPolarHBondContact CA-OE2 3.16Å; G24-E112 VanDerWaalsContact N-CD 3.26Å; G24-E112 PolarHBondContact N-OE2 3.09Å; V25-E112 PolarHBondContact N-OE1 2.82Å; H26-E112 VanDerWaalsContact CB-OE1 3.24Å; H26-E112 WeakPolarHBondContact CB-OE1 3.45Å; H26-E112 IonicContact CD2-OE1 3.13Å; H26-E112 PolarHBondContact CD2-OE1 3.25Å; H26-E112 VanDerWaalsContact CD2-OE1 3.28Å; H26-E112 IonicContact CG-OE1 2.69Å; H26-E112 PolarHBondContact N-OE1 3.49Å; T27-E112 VanDerWaalsContact CB-OE2 3.29Å; T27-E112 WeakPolarHBondContact CB-OE2 3.44Å; T27-E112 PolarHBondContact N-OE2 3.15Å; T27-E112 VanDerWaalsContact N-OE2 3.13Å; T27-E112 PolarHBondContact OG1-OE2 2.83Å; M108-E112 WeakPolarHBondContact O-CB 3.38Å; M108-E112 VanDerWaalsContact O-CG 3.3Å; M108-E112 WeakPolarHBondContact O-CG 3.05Å; M108-E112 PolarHBondContact O-N 3.14Å; N109-E112 PolarHBondContact O-N 3.03Å; E112-A115 PolarHBondContact O-N 3.01Å; E112-N116 WeakPolarHBondContact O-CB 3.19Å; E112-N116 PolarHBondContact O-N 2.72Å; E112-N116 PolarHBondContact O-ND2 3.32Å; E112-N116 VanDerWaalsContact O-ND2 3.15Å; E112-P134 HydrophobicContact CG-CB 4.29Å; E112-P134 HydrophobicContact CG-CG 4.17Å
113V98.9Very high98.6Very high0 Ų017.8 Ų17.80%011%0.109CC..Hα-helixtrans-61.3-50.6178.5169.60000110.7Y22 C89 Q92 F93 N109 A115 N116 I117Y22-V113 WeakPolarHBondContact O-CA 3.08Å; C89-V113 HydrophobicContact CB-CG1 4.1Å; Q92-V113 HydrophobicContact CB-CG2 3.93Å; Q92-V113 WeakPolarHBondContact O-CG2 3.43Å; F93-V113 HydrophobicContact CE2-CG1 4.1Å; F93-V113 HydrophobicContact CE2-CG2 4.5Å; F93-V113 HydrophobicContact CZ-CB 4.18Å; F93-V113 HydrophobicContact CZ-CG1 4.06Å; F93-V113 HydrophobicContact CZ-CG2 4.37Å; N109-V113 WeakPolarHBondContact ND2-CG2 3.43Å; N109-V113 WeakPolarHBondContact O-CB 3.25Å; N109-V113 VanDerWaalsContact O-CG2 3.29Å; N109-V113 WeakPolarHBondContact O-CG2 3.3Å; N109-V113 PolarHBondContact O-N 3.22Å; V113-A115 VanDerWaalsContact C-N 3.28Å; V113-A115 PolarHBondContact O-N 2.9Å; V113-N116 PolarHBondContact O-N 2.69Å; V113-I117 HydrophobicContact CG1-CD1 3.84Å; V113-I117 HydrophobicContact CG1-CG1 4.49Å; V113-I117 VanDerWaalsContact O-CG1 3.31Å; V113-I117 WeakPolarHBondContact O-CG1 3.49Å; V113-I117 PolarHBondContact O-N 3.36Å
114L98.9Very high98.6Very high0 Ų020 Ų200%012%0.119CC..Hα-helixtrans-64.9-34.7178.9-68.8176.3000112V52 K55 A79 V83 T110 G118 V138V52-L114 HydrophobicContact CG1-CD2 4.27Å; V52-L114 HydrophobicContact CG2-CD1 4.49Å; V52-L114 HydrophobicContact CG2-CD2 4.39Å; K55-L114 HydrophobicContact CB-CD1 3.51Å; K55-L114 HydrophobicContact CG-CD1 3.71Å; A79-L114 HydrophobicContact CB-CD2 4.33Å; V83-L114 HydrophobicContact CG2-CD2 3.91Å; T110-L114 HydrophobicContact CG2-CD1 3.84Å; T110-L114 HydrophobicContact CG2-CG 4.38Å; T110-L114 WeakPolarHBondContact O-CB 3.5Å; T110-L114 VanDerWaalsContact O-CG 3.28Å; T110-L114 WeakPolarHBondContact O-CG 3.35Å; T110-L114 PolarHBondContact O-N 3.43Å; L114-G118 PolarHBondContact O-N 3.24Å; L114-V138 HydrophobicContact CB-CG1 4.21Å; L114-V138 HydrophobicContact CD1-CG1 4.3Å
115A98.9Very high98.5Very high0 Ų023.9 Ų23.90%013%0.133CC..Hα-helixtrans-63.1-47.6175.900000111.6N111 E112 V113 G118 L119 Y129 L132 P134 V138N111-A115 WeakPolarHBondContact O-CB 3.48Å; N111-A115 PolarHBondContact O-N 3.06Å; E112-A115 PolarHBondContact O-N 3.01Å; V113-A115 VanDerWaalsContact C-N 3.28Å; V113-A115 PolarHBondContact O-N 2.9Å; A115-G118 CarbonylContact O-C 3.52Å; A115-G118 PolarHBondContact O-N 3.13Å; A115-L119 VanDerWaalsContact O-CG 3.32Å; A115-L119 WeakPolarHBondContact O-CG 3.24Å; A115-L119 PolarHBondContact O-N 2.91Å; A115-Y129 HydrophobicContact CB-CD1 4.5Å; A115-Y129 HydrophobicContact CB-CE1 4.23Å; A115-L132 HydrophobicContact CB-CD2 3.47Å; A115-L132 VanDerWaalsContact CB-CD2 3.47Å; A115-P134 HydrophobicContact CB-CB 4.43Å; A115-P134 HydrophobicContact CB-CG 3.82Å; A115-V138 HydrophobicContact CB-CG2 3.96Å
116N98.8Very high98.5Very high0 Ų025.3 Ų25.30%014%0.137CC..Hα-helixtrans-69.7-34-180-76.7-48.9000113.1Y22 E112 V113 E120 K126 G127 Y129Y22-N116 HydrophobicContact CD1-CB 4.03Å; Y22-N116 WeakPolarHBondContact O-CB 3.47Å; Y22-N116 PolarHBondContact O-ND2 2.71Å; E112-N116 WeakPolarHBondContact O-CB 3.19Å; E112-N116 PolarHBondContact O-N 2.72Å; E112-N116 PolarHBondContact O-ND2 3.32Å; E112-N116 VanDerWaalsContact O-ND2 3.15Å; V113-N116 PolarHBondContact O-N 2.69Å; N116-E120 PolarHBondContact O-N 2.74Å; N116-E120 VanDerWaalsContact O-N 3.11Å; N116-K126 HydrophobicContact CB-CB 4.44Å; N116-K126 HydrophobicContact CB-CG 4.15Å; N116-K126 VanDerWaalsContact OD1-CA 3.24Å; N116-K126 WeakPolarHBondContact OD1-CA 3.25Å; N116-G127 PolarHBondContact OD1-N 3.44Å; N116-Y129 PolarHBondContact ND2-OH 3.09Å
117I98.8Very high98.4Very high0 Ų026.4 Ų26.40%015%0.149CC..Hα-helixtrans-63.5-45.6169.2-64.3168.5000109.9Y22 A79 E82 V83 K88 C89 V113 L119 E120 L121Y22-I117 HydrophobicContact CD1-CG1 3.52Å; Y22-I117 HydrophobicContact CE1-CB 4.43Å; Y22-I117 HydrophobicContact CE1-CG1 3.61Å; A79-I117 HydrophobicContact CB-CB 3.88Å; A79-I117 HydrophobicContact CB-CG2 3.59Å; E82-I117 HydrophobicContact CB-CG2 4.42Å; V83-I117 HydrophobicContact CG2-CD1 3.6Å; K88-I117 HydrophobicContact CD-CG2 4.46Å; C89-I117 HydrophobicContact CB-CD1 4.13Å; V113-I117 HydrophobicContact CG1-CD1 3.84Å; V113-I117 HydrophobicContact CG1-CG1 4.49Å; V113-I117 VanDerWaalsContact O-CG1 3.31Å; V113-I117 WeakPolarHBondContact O-CG1 3.49Å; V113-I117 PolarHBondContact O-N 3.36Å; I117-L119 PolarHBondContact O-N 3.31Å; I117-E120 PolarHBondContact O-N 3.18Å; I117-L121 HydrophobicContact CG2-CD1 4.14Å; I117-L121 HydrophobicContact CG2-CG 4.47Å; I117-L121 WeakPolarHBondContact O-CG 3.48Å; I117-L121 PolarHBondContact O-N 2.87Å
118G98.7Very high98.4Very high0 Ų029.1 Ų29.10%016%0.162CC..Hα-helixtrans-62.1-41.2178.200000113.1L114 A115 L121 M122L114-G118 PolarHBondContact O-N 3.24Å; A115-G118 CarbonylContact O-C 3.52Å; A115-G118 PolarHBondContact O-N 3.13Å; G118-L121 PolarHBondContact O-N 3.38Å; G118-M122 WeakPolarHBondContact O-CB 3.45Å; G118-M122 VanDerWaalsContact O-CG 3.23Å; G118-M122 WeakPolarHBondContact O-CG 2.97Å; G118-M122 PolarHBondContact O-N 3.25Å
119L98.7Very high98.3Very high0 Ų030.4 Ų30.40%017%0.166CC..Hα-helixtrans-58.7-47.1173.5-74.7170.7000111.3A115 I117 L121 M122 G123 H124 E128 Y129 Y131 L132A115-L119 VanDerWaalsContact O-CG 3.32Å; A115-L119 WeakPolarHBondContact O-CG 3.24Å; A115-L119 PolarHBondContact O-N 2.91Å; I117-L119 PolarHBondContact O-N 3.31Å; L119-L121 VanDerWaalsContact C-N 3.35Å; L119-L121 PolarHBondContact O-N 3.5Å; L119-M122 CarbonylContact O-C 3.46Å; L119-M122 WeakPolarHBondContact O-CA 3.34Å; L119-M122 WeakPolarHBondContact O-CB 3.32Å; L119-M122 PolarHBondContact O-N 3.03Å; L119-G123 PolarHBondContact O-N 3.38Å; L119-G123 VanDerWaalsContact O-N 3.1Å; L119-H124 CarbonylContact C-O 3.49Å; L119-H124 HydrophobicContact CB-CB 4.08Å; L119-H124 HydrophobicContact CD2-CB 3.84Å; L119-H124 PolarHBondContact O-N 3.13Å; L119-E128 VanDerWaalsContact CD2-O 3.31Å; L119-E128 WeakPolarHBondContact CD2-O 3.44Å; L119-Y129 HydrophobicContact CD1-CD1 3.97Å; L119-Y129 HydrophobicContact CD1-CE1 4.27Å; L119-Y131 HydrophobicContact CD2-CD2 4.49Å; L119-L132 HydrophobicContact CD2-CB 3.77Å; L119-L132 HydrophobicContact CG-CB 4.05Å
120E98.2Very high98.3Very high74 Ų7436.4 Ų36.435%0.34619%0.194SC..Hα-helixtrans-61-43.2177.8-171.7176.7116.900111.7Y22 K88 N116 I117 M122 G123 K126Y22-E120 PolarHBondContact OH-OE1 3.25Å; Y22-E120 PolarHBondContact OH-OE2 2.75Å; K88-E120 IonicContact NZ-OE1 2.59Å; K88-E120 PolarHBondContact NZ-OE1 2.9Å; N116-E120 PolarHBondContact O-N 2.74Å; N116-E120 VanDerWaalsContact O-N 3.11Å; I117-E120 PolarHBondContact O-N 3.18Å; E120-M122 PolarHBondContact O-N 3.19Å; E120-G123 PolarHBondContact O-N 2.73Å; E120-K126 IonicContact OE2-NZ 3.89Å; E120-K126 PolarHBondContact OE2-NZ 3.06Å
121L98.1Very high98.3Very high84 Ų8441.2 Ų41.244%0.4421%0.213SC..Hα-helixtrans-64.4-26.4175.3-68.3174.2000113.1A78 A79 E82 I117 G118 L119A78-L121 HydrophobicContact CB-CD1 3.9Å; A79-L121 HydrophobicContact CB-CD1 4.33Å; E82-L121 HydrophobicContact CG-CD1 4.45Å; I117-L121 HydrophobicContact CG2-CD1 4.14Å; I117-L121 HydrophobicContact CG2-CG 4.47Å; I117-L121 WeakPolarHBondContact O-CG 3.48Å; I117-L121 PolarHBondContact O-N 2.87Å; G118-L121 PolarHBondContact O-N 3.38Å; L119-L121 VanDerWaalsContact C-N 3.35Å; L119-L121 PolarHBondContact O-N 3.5Å
122M98Very high98.2Very high67 Ų6741.2 Ų41.233%0.3321%0.213SC..THydrogen-bonded Turntrans-86.3-4.6174.7-68.5171.562.400113.3A75 G118 L119 E120 L132A75-M122 HydrophobicContact CB-CG 3.74Å; A75-M122 HydrophobicContact CB-SD 3.49Å; A75-M122 WeakPolarHBondContact CB-SD 3.35Å; G118-M122 WeakPolarHBondContact O-CB 3.45Å; G118-M122 VanDerWaalsContact O-CG 3.23Å; G118-M122 WeakPolarHBondContact O-CG 2.97Å; G118-M122 PolarHBondContact O-N 3.25Å; L119-M122 CarbonylContact O-C 3.46Å; L119-M122 WeakPolarHBondContact O-CA 3.34Å; L119-M122 WeakPolarHBondContact O-CB 3.32Å; L119-M122 PolarHBondContact O-N 3.03Å; E120-M122 PolarHBondContact O-N 3.19Å; M122-L132 HydrophobicContact SD-CB 4.44Å; M122-L132 HydrophobicContact SD-CD1 3.97Å
123G98Very high98.2Very high62 Ų6242.8 Ų42.864%0.63922%0.222SC*.THydrogen-bonded Turntrans8416.8-177.400000114.9L119 E120L119-G123 PolarHBondContact O-N 3.38Å; L119-G123 VanDerWaalsContact O-N 3.1Å; E120-G123 PolarHBondContact O-N 2.73Å
124H98.1Very high98.2Very high47 Ų4743 Ų4322%0.21822%0.223CC..PPolyproline II helixtrans-99.8162.8177-63.3-60.3000112L119 E128 Y131L119-H124 CarbonylContact C-O 3.49Å; L119-H124 HydrophobicContact CB-CB 4.08Å; L119-H124 HydrophobicContact CD2-CB 3.84Å; L119-H124 PolarHBondContact O-N 3.13Å; H124-E128 WeakPolarHBondContact CB-OE2 3.28Å; H124-E128 IonicContact ND1-OE2 3.67Å; H124-Y131 HydrophobicContact CB-CD2 4.13Å; H124-Y131 AromaticContact CD2-CD2 3.8Å; H124-Y131 AromaticContact CD2-CG 3.69Å; H124-Y131 AromaticContact CE1-CD1 3.66Å; H124-Y131 AromaticContact CE1-CD2 3.59Å; H124-Y131 AromaticContact CE1-CE1 3.68Å; H124-Y131 AromaticContact CE1-CE2 3.6Å; H124-Y131 AromaticContact CE1-CG 3.62Å; H124-Y131 AromaticContact CE1-CZ 3.64Å; H124-Y131 AromaticContact CG-CD2 3.52Å; H124-Y131 AromaticContact CG-CE2 3.97Å; H124-Y131 AromaticContact CG-CG 3.91Å; H124-Y131 AromaticContact ND1-CD2 3.38Å; H124-Y131 WeakPolarHBondContact ND1-CD2 3.35Å; H124-Y131 AromaticContact ND1-CE2 3.35Å; H124-Y131 WeakPolarHBondContact ND1-CE2 3.5Å; H124-Y131 AromaticContact ND1-CG 3.87Å; H124-Y131 AromaticContact ND1-CZ 3.84Å; H124-Y131 AromaticContact NE2-CD1 3.66Å; H124-Y131 AromaticContact NE2-CD2 3.86Å; H124-Y131 AromaticContact NE2-CG 3.51Å
125Q97.1Very high98.2Very high137 Ų13746.5 Ų46.564%0.6424%0.241SC*.PPolyproline II helixtrans-83.8156.5176.5-58.8-61.7-47.300111.5G127 E128Q125-G127 PolarHBondContact O-N 3.31Å; Q125-E128 HydrophobicContact CB-CG 3.99Å; Q125-E128 PolarHBondContact N-OE2 2.66Å; Q125-E128 WeakPolarHBondContact O-CB 3.29Å; Q125-E128 PolarHBondContact O-N 2.65Å
126K97.8Very high98.1Very high48 Ų4851.4 Ų51.421%0.20927%0.268CS..THydrogen-bonded Turntrans-62135.8175-62.2178.9173.860.80110.1R6 Y22 N116 E120 E128R6-K126 WeakPolarHBondContact CD-O 3.28Å; Y22-K126 VanDerWaalsContact CE1-CE 3.44Å; Y22-K126 VanDerWaalsContact CE2-CE 3.5Å; Y22-K126 VanDerWaalsContact CZ-CE 3.42Å; N116-K126 HydrophobicContact CB-CB 4.44Å; N116-K126 HydrophobicContact CB-CG 4.15Å; N116-K126 VanDerWaalsContact OD1-CA 3.24Å; N116-K126 WeakPolarHBondContact OD1-CA 3.25Å; E120-K126 IonicContact OE2-NZ 3.89Å; E120-K126 PolarHBondContact OE2-NZ 3.06Å; K126-E128 VanDerWaalsContact C-N 3.34Å
127G97.2Very high98.1Very high24 Ų2453.1 Ų53.125%0.24728%0.276CS..THydrogen-bonded Turntrans84.5-3.8-176.300000115.2N116 Q125 Y129N116-G127 PolarHBondContact OD1-N 3.44Å; Q125-G127 PolarHBondContact O-N 3.31Å; G127-Y129 PolarHBondContact O-N 3.47Å
128E97.4Very high98.1Very high57 Ų5753.3 Ų53.327%0.26628%0.277SS..  trans-76.556.6173.3-65-167.7123.200112.2L119 H124 Q125 K126 Q130 Y131L119-E128 VanDerWaalsContact CD2-O 3.31Å; L119-E128 WeakPolarHBondContact CD2-O 3.44Å; H124-E128 WeakPolarHBondContact CB-OE2 3.28Å; H124-E128 IonicContact ND1-OE2 3.67Å; Q125-E128 HydrophobicContact CB-CG 3.99Å; Q125-E128 PolarHBondContact N-OE2 2.66Å; Q125-E128 WeakPolarHBondContact O-CB 3.29Å; Q125-E128 PolarHBondContact O-N 2.65Å; K126-E128 VanDerWaalsContact C-N 3.34Å; E128-Q130 VanDerWaalsContact CA-OE1 3.25Å; E128-Q130 PolarHBondContact O-N 3.05Å; E128-Q130 PolarHBondContact O-OE1 3.31Å; E128-Y131 HydrophobicContact CB-CD2 3.82Å; E128-Y131 HydrophobicContact CB-CE2 4.09Å; E128-Y131 WeakPolarHBondContact O-CD2 3.25Å; E128-Y131 PolarHBondContact O-N 3.17Å; E128-Y131 VanDerWaalsContact O-N 3.08Å
129Y98Very high98.1Very high36 Ų3654.3 Ų54.314%0.14128%0.282CS..THydrogen-bonded Turntrans-65.3-7.1-172.1-60.8-42000114.9E8 A115 N116 L119 G127 Y131 L132 N133 P134E8-Y129 VanDerWaalsContact CD-OH 3.24Å; E8-Y129 HydrophobicContact CG-CE2 4.25Å; E8-Y129 PolarHBondContact OE1-OH 3.45Å; E8-Y129 WeakPolarHBondContact OE2-CE2 3.45Å; E8-Y129 PolarHBondContact OE2-OH 2.77Å; A115-Y129 HydrophobicContact CB-CD1 4.5Å; A115-Y129 HydrophobicContact CB-CE1 4.23Å; N116-Y129 PolarHBondContact ND2-OH 3.09Å; L119-Y129 HydrophobicContact CD1-CD1 3.97Å; L119-Y129 HydrophobicContact CD1-CE1 4.27Å; G127-Y129 PolarHBondContact O-N 3.47Å; Y129-Y131 PolarHBondContact O-N 2.96Å; Y129-L132 WeakPolarHBondContact CD1-O 3.31Å; Y129-L132 CarbonylContact O-C 3.51Å; Y129-N133 WeakPolarHBondContact O-CB 3.3Å; Y129-N133 PolarHBondContact O-N 3.12Å; Y129-P134 VanDerWaalsContact CD1-CD 3.46Å; Y129-P134 HydrophobicContact CD1-CG 3.88Å; Y129-P134 HydrophobicContact CE1-CG 3.69Å; Y129-P134 HydrophobicContact CE2-CG 4.35Å; Y129-P134 HydrophobicContact CG-CG 4.3Å
130Q97.8Very high98.1Very high126 Ų12658 Ų5859%0.58930%0.298SS*.THydrogen-bonded Turntrans-62.8-23.4168.570-83.515.900113.1E128E128-Q130 VanDerWaalsContact CA-OE1 3.25Å; E128-Q130 PolarHBondContact O-N 3.05Å; E128-Q130 PolarHBondContact O-OE1 3.31Å
131Y98.2Very high98.2Very high102 Ų10255 Ų5540%0.429%0.285SS..THydrogen-bonded Turntrans-95.2-36.6177.3-55.7-69.3000112.6L119 H124 E128 Y129L119-Y131 HydrophobicContact CD2-CD2 4.49Å; H124-Y131 HydrophobicContact CB-CD2 4.13Å; H124-Y131 AromaticContact CD2-CD2 3.8Å; H124-Y131 AromaticContact CD2-CG 3.69Å; H124-Y131 AromaticContact CE1-CD1 3.66Å; H124-Y131 AromaticContact CE1-CD2 3.59Å; H124-Y131 AromaticContact CE1-CE1 3.68Å; H124-Y131 AromaticContact CE1-CE2 3.6Å; H124-Y131 AromaticContact CE1-CG 3.62Å; H124-Y131 AromaticContact CE1-CZ 3.64Å; H124-Y131 AromaticContact CG-CD2 3.52Å; H124-Y131 AromaticContact CG-CE2 3.97Å; H124-Y131 AromaticContact CG-CG 3.91Å; H124-Y131 AromaticContact ND1-CD2 3.38Å; H124-Y131 WeakPolarHBondContact ND1-CD2 3.35Å; H124-Y131 AromaticContact ND1-CE2 3.35Å; H124-Y131 WeakPolarHBondContact ND1-CE2 3.5Å; H124-Y131 AromaticContact ND1-CG 3.87Å; H124-Y131 AromaticContact ND1-CZ 3.84Å; H124-Y131 AromaticContact NE2-CD1 3.66Å; H124-Y131 AromaticContact NE2-CD2 3.86Å; H124-Y131 AromaticContact NE2-CG 3.51Å; E128-Y131 HydrophobicContact CB-CD2 3.82Å; E128-Y131 HydrophobicContact CB-CE2 4.09Å; E128-Y131 WeakPolarHBondContact O-CD2 3.25Å; E128-Y131 PolarHBondContact O-N 3.17Å; E128-Y131 VanDerWaalsContact O-N 3.08Å; Y129-Y131 PolarHBondContact O-N 2.96Å
132L98.7Very high98.2Very high0 Ų051.9 Ų51.90%027%0.268CS..SBendtrans-147.4103.4177-165.6165.3000109.9V72 A75 I76 A115 L119 M122 Y129 H137 V138V72-L132 HydrophobicContact CG1-CG 4.22Å; A75-L132 HydrophobicContact CB-CD1 3.99Å; I76-L132 HydrophobicContact CG1-CD1 4.02Å; I76-L132 HydrophobicContact CG1-CD2 4.4Å; I76-L132 HydrophobicContact CG1-CG 4.43Å; A115-L132 HydrophobicContact CB-CD2 3.47Å; A115-L132 VanDerWaalsContact CB-CD2 3.47Å; L119-L132 HydrophobicContact CD2-CB 3.77Å; L119-L132 HydrophobicContact CG-CB 4.05Å; M122-L132 HydrophobicContact SD-CB 4.44Å; M122-L132 HydrophobicContact SD-CD1 3.97Å; Y129-L132 WeakPolarHBondContact CD1-O 3.31Å; Y129-L132 CarbonylContact O-C 3.51Å; L132-H137 WeakPolarHBondContact CA-ND1 3.3Å; L132-V138 HydrophobicContact CD2-CG2 3.57Å
133N98.4Very high98.2Very high35 Ų3549.8 Ų49.819%0.18726%0.26CS..  trans-92.3134-174.6-169.2-75000112.4Y129 N135 D136 H137 V138Y129-N133 WeakPolarHBondContact O-CB 3.3Å; Y129-N133 PolarHBondContact O-N 3.12Å; N133-N135 VanDerWaalsContact C-N 3.31Å; N133-N135 PolarHBondContact O-N 2.97Å; N133-N135 WeakPolarHBondContact OD1-CA 3.24Å; N133-N135 WeakPolarHBondContact OD1-CB 3.49Å; N133-N135 PolarHBondContact OD1-N 2.76Å; N133-D136 HydrophobicContact CB-CB 4.01Å; N133-D136 PolarHBondContact OD1-N 2.81Å; N133-H137 PolarHBondContact N-ND1 3.42Å; N133-H137 WeakPolarHBondContact O-CB 3.06Å; N133-H137 PolarHBondContact O-N 2.97Å; N133-H137 VanDerWaalsContact O-N 3.1Å; N133-V138 PolarHBondContact O-N 3.45Å
134P98.6Very high98.2Very high5 Ų547.3 Ų47.33%0.03223%0.233CC..Iπ-helixtrans-55.9-40.3175.8-26.434.2000113.7M108 N111 E112 A115 Y129 V138 N139M108-P134 HydrophobicContact CE-CB 4.2Å; N111-P134 HydrophobicContact CB-CB 3.87Å; E112-P134 HydrophobicContact CG-CB 4.29Å; E112-P134 HydrophobicContact CG-CG 4.17Å; A115-P134 HydrophobicContact CB-CB 4.43Å; A115-P134 HydrophobicContact CB-CG 3.82Å; Y129-P134 VanDerWaalsContact CD1-CD 3.46Å; Y129-P134 HydrophobicContact CD1-CG 3.88Å; Y129-P134 HydrophobicContact CE1-CG 3.69Å; Y129-P134 HydrophobicContact CE2-CG 4.35Å; Y129-P134 HydrophobicContact CG-CG 4.3Å; P134-V138 WeakPolarHBondContact O-CB 3.42Å; P134-N139 WeakPolarHBondContact O-CB 3.37Å; P134-N139 PolarHBondContact O-N 3.07Å
135N98.4Very high98.3Very high72 Ų7246.4 Ų46.439%0.38523%0.23SC..Iπ-helixtrans-85.6-55.8-178.8-68.6-61.3000112M108 N133 H137 N139 K140M108-N135 VanDerWaalsContact CE-OD1 3.32Å; M108-N135 WeakPolarHBondContact CE-OD1 3.42Å; M108-N135 PolarHBondContact SD-OD1 3.5Å; N133-N135 VanDerWaalsContact C-N 3.31Å; N133-N135 PolarHBondContact O-N 2.97Å; N133-N135 WeakPolarHBondContact OD1-CA 3.24Å; N133-N135 WeakPolarHBondContact OD1-CB 3.49Å; N133-N135 PolarHBondContact OD1-N 2.76Å; N135-H137 VanDerWaalsContact C-N 3.29Å; N135-H137 PolarHBondContact O-N 2.87Å; N135-N139 CarbonylContact O-C 3.55Å; N135-N139 WeakPolarHBondContact O-CB 3.49Å; N135-K140 PolarHBondContact O-N 3.47Å
136D98.1Very high98.3Very high103 Ų10339.9 Ų39.955%0.55120%0.199SC*.Iπ-helixtrans-74-20.6-170-62-38.2000113.4N133 K140N133-D136 HydrophobicContact CB-CB 4.01Å; N133-D136 PolarHBondContact OD1-N 2.81Å; D136-K140 WeakPolarHBondContact O-CD 3.38Å
137H98.7Very high98.4Very high37 Ų3737.6 Ų37.617%0.17119%0.189CC..Iπ-helixtrans-117.8-56.9-178.9-54.9151.2000113.1V72 I76 L132 N133 N135 K140V72-H137 HydrophobicContact CG1-CB 3.65Å; I76-H137 HydrophobicContact CD1-CB 4.09Å; L132-H137 WeakPolarHBondContact CA-ND1 3.3Å; N133-H137 PolarHBondContact N-ND1 3.42Å; N133-H137 WeakPolarHBondContact O-CB 3.06Å; N133-H137 PolarHBondContact O-N 2.97Å; N133-H137 VanDerWaalsContact O-N 3.1Å; N135-H137 VanDerWaalsContact C-N 3.29Å; N135-H137 PolarHBondContact O-N 2.87Å; H137-K140 WeakPolarHBondContact O-CB 3.37Å; H137-K140 PolarHBondContact O-N 2.83Å
138V98.9Very high98.5Very high4 Ų436.6 Ų36.62%0.02418%0.178CC..Iπ-helixtrans-71.1-39.9-175.9-168.90000111.4K55 I76 N111 L114 A115 L132 N133 P134 Q142K55-V138 HydrophobicContact CD-CG1 4.25Å; K55-V138 HydrophobicContact CG-CG1 4.42Å; I76-V138 HydrophobicContact CD1-CG2 4.13Å; I76-V138 HydrophobicContact CG1-CG2 4.19Å; I76-V138 HydrophobicContact CG2-CG1 4.41Å; N111-V138 HydrophobicContact CB-CB 4.3Å; N111-V138 HydrophobicContact CB-CG1 4.3Å; L114-V138 HydrophobicContact CB-CG1 4.21Å; L114-V138 HydrophobicContact CD1-CG1 4.3Å; A115-V138 HydrophobicContact CB-CG2 3.96Å; L132-V138 HydrophobicContact CD2-CG2 3.57Å; N133-V138 PolarHBondContact O-N 3.45Å; P134-V138 WeakPolarHBondContact O-CB 3.42Å; V138-Q142 PolarHBondContact O-NE2 3.22Å
139N98.8Very high98.5Very high20 Ų2034.2 Ų34.211%0.10717%0.168CC..THydrogen-bonded Turntrans-92.713.7177.3-149.567.5000113.7K55 N107 N111 P134 N135 C141 Q142K55-N139 PolarHBondContact NZ-OD1 3.42Å; N107-N139 PolarHBondContact ND2-OD1 3.31Å; N107-N139 VanDerWaalsContact ND2-OD1 3.12Å; N107-N139 PolarHBondContact OD1-OD1 2.9Å; N111-N139 WeakPolarHBondContact ND2-CB 3.29Å; N111-N139 VanDerWaalsContact ND2-CG 3.35Å; N111-N139 PolarHBondContact ND2-OD1 3.41Å; P134-N139 WeakPolarHBondContact O-CB 3.37Å; P134-N139 PolarHBondContact O-N 3.07Å; N135-N139 CarbonylContact O-C 3.55Å; N135-N139 WeakPolarHBondContact O-CB 3.49Å; N139-C141 PolarHBondContact O-N 3.15Å; N139-Q142 PolarHBondContact ND2-O 3.14Å; N139-Q142 VanDerWaalsContact ND2-O 3.14Å; N139-Q142 PolarHBondContact O-N 3.31Å; N139-Q142 VanDerWaalsContact O-N 3.13Å
140K98.6Very high98.6Very high79 Ų7932.5 Ų32.534%0.34316%0.161SC..THydrogen-bonded Turntrans-57.7134.3-179.4-173.471.6164.3-168.60110.9N62 T67 I68 N135 D136 H137 Q142N62-K140 PolarHBondContact ND2-O 2.88Å; T67-K140 WeakPolarHBondContact O-CE 3.49Å; I68-K140 HydrophobicContact CG2-CB 3.83Å; I68-K140 HydrophobicContact CG2-CD 4.15Å; I68-K140 HydrophobicContact CG2-CG 3.6Å; N135-K140 PolarHBondContact O-N 3.47Å; D136-K140 WeakPolarHBondContact O-CD 3.38Å; H137-K140 WeakPolarHBondContact O-CB 3.37Å; H137-K140 PolarHBondContact O-N 2.83Å; K140-Q142 PolarHBondContact O-N 2.85Å; K140-Q142 PolarHBondContact O-NE2 2.79Å; K140-Q142 VanDerWaalsContact O-NE2 3.08Å
141C98.3Very high98.6Very high11 Ų1126.5 Ų26.57%0.07413%0.133CC..THydrogen-bonded Turntrans60.722.6-179.7-64.90000114.3N62 N139 T241 Y245N62-C141 PolarHBondContact OD1-SG 2.93Å; N139-C141 PolarHBondContact O-N 3.15Å; C141-T241 HydrophobicContact CB-CG2 3.72Å; C141-T241 WeakPolarHBondContact O-CG2 3.48Å; C141-Y245 HydrophobicContact CB-CD1 4.1Å; C141-Y245 HydrophobicContact CB-CD2 3.71Å; C141-Y245 HydrophobicContact CB-CE1 3.94Å; C141-Y245 HydrophobicContact CB-CE2 3.53Å; C141-Y245 HydrophobicContact CB-CG 4Å; C141-Y245 WeakPolarHBondContact O-CE1 3.27Å
142Q98.8Very high98.6Very high17 Ų1721.7 Ų21.78%0.07911%0.114CC..  trans-129.7158.7179.7-64.4157.676.900110.6A58 V138 N139 K140 A147 L230 Y245A58-Q142 HydrophobicContact CB-CG 4.23Å; A58-Q142 VanDerWaalsContact CB-NE2 3.26Å; V138-Q142 PolarHBondContact O-NE2 3.22Å; N139-Q142 PolarHBondContact ND2-O 3.14Å; N139-Q142 VanDerWaalsContact ND2-O 3.14Å; N139-Q142 PolarHBondContact O-N 3.31Å; N139-Q142 VanDerWaalsContact O-N 3.13Å; K140-Q142 PolarHBondContact O-N 2.85Å; K140-Q142 PolarHBondContact O-NE2 2.79Å; K140-Q142 VanDerWaalsContact O-NE2 3.08Å; Q142-A147 HydrophobicContact CB-CB 4.35Å; Q142-L230 HydrophobicContact CG-CD1 4.4Å; Q142-Y245 VanDerWaalsContact CG-OH 3.32Å; Q142-Y245 WeakPolarHBondContact CG-OH 3.32Å
143S98.6Very high98.6Very high23 Ų2322.7 Ų22.716%0.16112%0.118CC..  trans-115.9171.1161.4-179.90000108.8N145 D146 A147 T233S143-N145 PolarHBondContact OG-N 2.96Å; S143-N145 VanDerWaalsContact OG-N 3.11Å; S143-D146 WeakPolarHBondContact CA-OD1 3.07Å; S143-D146 WeakPolarHBondContact CB-OD1 3.3Å; S143-D146 PolarHBondContact N-OD1 3.44Å; S143-A147 WeakPolarHBondContact O-CB 3.24Å; S143-A147 PolarHBondContact O-N 3.24Å; S143-A147 VanDerWaalsContact O-N 3.14Å; S143-T233 WeakPolarHBondContact CB-O 3.28Å; S143-T233 PolarHBondContact OG-O 3.42Å
144T98.6Very high98.7Very high11 Ų1121 Ų217%0.06711%0.109CC..Hα-helixtrans-59.7-41.2159.6-60.50000109.8A102 T104 N107 D146 A147 Y148 P149A102-T144 WeakPolarHBondContact O-CG2 3.17Å; T104-T144 VanDerWaalsContact CA-CG2 3.47Å; T104-T144 WeakPolarHBondContact CA-OG1 3.42Å; T104-T144 WeakPolarHBondContact OG1-CG2 3.39Å; T104-T144 PolarHBondContact OG1-OG1 3.35Å; N107-T144 HydrophobicContact CB-CG2 4.05Å; N107-T144 WeakPolarHBondContact ND2-CA 3.17Å; N107-T144 PolarHBondContact ND2-OG1 3.37Å; N107-T144 VanDerWaalsContact ND2-OG1 3.14Å; T144-D146 PolarHBondContact O-N 3.41Å; T144-A147 PolarHBondContact O-N 3.03Å; T144-Y148 HydrophobicContact CG2-CG 4.45Å; T144-Y148 WeakPolarHBondContact O-CB 3.28Å; T144-Y148 PolarHBondContact O-N 3.31Å; T144-P149 VanDerWaalsContact O-CD 3.3Å; T144-P149 WeakPolarHBondContact O-CD 3.27Å
145N98.5Very high98.7Very high28 Ų2820.8 Ų20.815%0.1511%0.107CC..Hα-helixtrans-69.3-4.2-168.6-53.9-5.6000114.1S143 P149 N229 A234 T271 L361S143-N145 PolarHBondContact OG-N 2.96Å; S143-N145 VanDerWaalsContact OG-N 3.11Å; N145-P149 VanDerWaalsContact O-CG 3.24Å; N145-P149 WeakPolarHBondContact O-CG 3.33Å; N145-N229 PolarHBondContact O-ND2 2.99Å; N145-A234 PolarHBondContact ND2-O 3.41Å; N145-T271 HydrophobicContact CB-CG2 3.97Å; N145-L361 HydrophobicContact CB-CD1 3.82Å
146D98.6Very high98.7Very high0 Ų017.4 Ų17.40%09%0.089CC..Hα-helixtrans-124.4-37.9170.465.4-13.8000112.7S143 T144 T150 N229 G231 A232 T233S143-D146 WeakPolarHBondContact CA-OD1 3.07Å; S143-D146 WeakPolarHBondContact CB-OD1 3.3Å; S143-D146 PolarHBondContact N-OD1 3.44Å; T144-D146 PolarHBondContact O-N 3.41Å; D146-T150 WeakPolarHBondContact O-CB 3.32Å; D146-T150 PolarHBondContact O-N 3.01Å; D146-T150 PolarHBondContact O-OG1 3.42Å; D146-N229 WeakPolarHBondContact CA-OD1 3.46Å; D146-N229 WeakPolarHBondContact CB-O 3.3Å; D146-N229 PolarHBondContact O-OD1 2.87Å; D146-G231 WeakPolarHBondContact OD2-CA 3.2Å; D146-G231 PolarHBondContact OD2-N 3.4Å; D146-A232 HydrophobicContact CB-CB 3.92Å; D146-A232 PolarHBondContact OD2-N 3.3Å; D146-T233 WeakPolarHBondContact OD2-CA 3.47Å; D146-T233 PolarHBondContact OD2-N 2.98Å
147A98.8Very high98.7Very high0 Ų014.6 Ų14.60%07%0.071CC..Hα-helixtrans-69.4-41.6177.200000113.2V54 Q142 S143 T144 G151V54-A147 HydrophobicContact CG1-CB 4.11Å; Q142-A147 HydrophobicContact CB-CB 4.35Å; S143-A147 WeakPolarHBondContact O-CB 3.24Å; S143-A147 PolarHBondContact O-N 3.24Å; S143-A147 VanDerWaalsContact O-N 3.14Å; T144-A147 PolarHBondContact O-N 3.03Å; A147-G151 PolarHBondContact O-N 3.28Å
148Y98.8Very high98.7Very high3 Ų314.1 Ų14.11%0.0127%0.072CC..Hα-helixtrans-66.3-55.7179.2178-89.4000112.7F47 M51 G103 V106 T144 T150 G151 F152 E365F47-Y148 HydrophobicContact CE1-CE2 4.14Å; F47-Y148 HydrophobicContact CE2-CE2 4.23Å; F47-Y148 HydrophobicContact CZ-CD2 4.15Å; F47-Y148 AromaticContact CZ-CE2 3.37Å; F47-Y148 HydrophobicContact CZ-CE2 3.37Å; F47-Y148 AromaticContact CZ-CZ 3.63Å; M51-Y148 HydrophobicContact SD-CD2 4.46Å; G103-Y148 VanDerWaalsContact CA-CE2 3.44Å; V106-Y148 HydrophobicContact CB-CD2 4.08Å; V106-Y148 HydrophobicContact CB-CE2 3.97Å; V106-Y148 HydrophobicContact CG1-CE2 4.44Å; V106-Y148 HydrophobicContact CG2-CE2 3.99Å; T144-Y148 HydrophobicContact CG2-CG 4.45Å; T144-Y148 WeakPolarHBondContact O-CB 3.28Å; T144-Y148 PolarHBondContact O-N 3.31Å; Y148-T150 VanDerWaalsContact C-N 3.26Å; Y148-T150 PolarHBondContact O-N 3.47Å; Y148-G151 PolarHBondContact O-N 2.95Å; Y148-G151 VanDerWaalsContact O-N 3.15Å; Y148-F152 VanDerWaalsContact O-CB 3.27Å; Y148-F152 WeakPolarHBondContact O-CB 3.31Å; Y148-F152 PolarHBondContact O-N 3Å; Y148-E365 WeakPolarHBondContact CD1-OE2 3.24Å; Y148-E365 HydrophobicContact CE1-CB 3.73Å; Y148-E365 WeakPolarHBondContact CE1-OE2 3.48Å
149P98.7Very high98.7Very high7 Ų714.5 Ų14.55%0.0458%0.075CC..Hα-helixtrans-61.7-36.5178.722.6-32.5000111.3T144 N145 F152 R153T144-P149 VanDerWaalsContact O-CD 3.3Å; T144-P149 WeakPolarHBondContact O-CD 3.27Å; N145-P149 VanDerWaalsContact O-CG 3.24Å; N145-P149 WeakPolarHBondContact O-CG 3.33Å; P149-F152 PolarHBondContact O-N 3.35Å; P149-R153 WeakPolarHBondContact O-CB 3.49Å; P149-R153 VanDerWaalsContact O-CD 3.32Å; P149-R153 WeakPolarHBondContact O-CD 3.48Å; P149-R153 WeakPolarHBondContact O-CG 3.43Å; P149-R153 PolarHBondContact O-N 2.86Å
150T98.9Very high98.7Very high0 Ų013.7 Ų13.70%07%0.07CC..Hα-helixtrans-59.7-52.3173-60.20000111.3V54 D146 Y148 F152 R153 I154 V228 L230 L253V54-T150 HydrophobicContact CG2-CG2 3.51Å; D146-T150 WeakPolarHBondContact O-CB 3.32Å; D146-T150 PolarHBondContact O-N 3.01Å; D146-T150 PolarHBondContact O-OG1 3.42Å; Y148-T150 VanDerWaalsContact C-N 3.26Å; Y148-T150 PolarHBondContact O-N 3.47Å; T150-F152 VanDerWaalsContact C-N 3.32Å; T150-F152 PolarHBondContact O-N 2.83Å; T150-R153 PolarHBondContact O-N 3.28Å; T150-I154 VanDerWaalsContact O-CG1 3.31Å; T150-I154 WeakPolarHBondContact O-CG1 3.35Å; T150-I154 PolarHBondContact O-N 2.95Å; T150-I154 VanDerWaalsContact O-N 3.07Å; T150-V228 HydrophobicContact CG2-CB 4.03Å; T150-V228 HydrophobicContact CG2-CG1 4.04Å; T150-V228 HydrophobicContact CG2-CG2 4.33Å; T150-L230 HydrophobicContact CG2-CB 4.29Å; T150-L253 HydrophobicContact CG2-CD2 3.42Å; T150-L253 VanDerWaalsContact CG2-CD2 3.42Å
151G98.8Very high98.7Very high0 Ų013.9 Ų13.90%07%0.074CC..Hα-helixtrans-64.6-37.4-178.700000112.7A147 Y148 A155A147-G151 PolarHBondContact O-N 3.28Å; Y148-G151 PolarHBondContact O-N 2.95Å; Y148-G151 VanDerWaalsContact O-N 3.15Å; G151-A155 WeakPolarHBondContact O-CB 3.13Å; G151-A155 PolarHBondContact O-N 3.03Å
152F98.7Very high98.6Very high0 Ų018.2 Ų18.20%09%0.092CC..Hα-helixtrans-61.6-49.4174.3175.3-144.1000111.7F47 Y148 P149 T150 I154 A155 V156 Y277 I368 G369 M372 F373F47-F152 HydrophobicContact CE2-CB 3.76Å; F47-F152 HydrophobicContact CE2-CD2 4.33Å; F47-F152 HydrophobicContact CE2-CG 4.43Å; F47-F152 HydrophobicContact CZ-CB 4.14Å; F47-F152 HydrophobicContact CZ-CD2 4.37Å; F47-F152 HydrophobicContact CZ-CG 4.48Å; Y148-F152 VanDerWaalsContact O-CB 3.27Å; Y148-F152 WeakPolarHBondContact O-CB 3.31Å; Y148-F152 PolarHBondContact O-N 3Å; P149-F152 PolarHBondContact O-N 3.35Å; T150-F152 VanDerWaalsContact C-N 3.32Å; T150-F152 PolarHBondContact O-N 2.83Å; F152-I154 PolarHBondContact O-N 2.96Å; F152-A155 WeakPolarHBondContact O-CB 3.42Å; F152-A155 PolarHBondContact O-N 2.94Å; F152-V156 HydrophobicContact CD2-CG2 3.64Å; F152-V156 HydrophobicContact CE2-CG2 3.17Å; F152-V156 HydrophobicContact CZ-CG2 3.9Å; F152-V156 WeakPolarHBondContact O-CG2 3.33Å; F152-V156 PolarHBondContact O-N 3.39Å; F152-Y277 AromaticContact CD1-CE1 3.76Å; F152-Y277 HydrophobicContact CD1-CE1 3.76Å; F152-Y277 HydrophobicContact CD1-CE2 4.31Å; F152-Y277 AromaticContact CD1-CZ 3.62Å; F152-Y277 AromaticContact CE1-CD1 3.89Å; F152-Y277 HydrophobicContact CE1-CD1 3.89Å; F152-Y277 HydrophobicContact CE1-CD2 4.33Å; F152-Y277 AromaticContact CE1-CE1 3.52Å; F152-Y277 HydrophobicContact CE1-CE1 3.52Å; F152-Y277 AromaticContact CE1-CE2 4Å; F152-Y277 HydrophobicContact CE1-CE2 4Å; F152-Y277 HydrophobicContact CE1-CG 4.29Å; F152-Y277 AromaticContact CE1-CZ 3.58Å; F152-Y277 HydrophobicContact CZ-CD1 4.4Å; F152-Y277 HydrophobicContact CZ-CE1 4.32Å; F152-I368 HydrophobicContact CE1-CG2 4.1Å; F152-I368 HydrophobicContact CZ-CG2 4.11Å; F152-G369 VanDerWaalsContact CE2-CA 3.43Å; F152-M372 HydrophobicContact CE1-SD 4.39Å; F152-M372 HydrophobicContact CE2-SD 4.41Å; F152-M372 HydrophobicContact CZ-CB 4.49Å; F152-M372 HydrophobicContact CZ-CG 4.46Å; F152-M372 HydrophobicContact CZ-SD 3.62Å; F152-F373 AromaticContact CD2-CE2 3.73Å; F152-F373 HydrophobicContact CD2-CE2 3.73Å; F152-F373 AromaticContact CD2-CZ 3.74Å; F152-F373 HydrophobicContact CD2-CZ 3.74Å; F152-F373 HydrophobicContact CE2-CD2 4.39Å; F152-F373 AromaticContact CE2-CE2 3.69Å; F152-F373 HydrophobicContact CE2-CE2 3.69Å; F152-F373 AromaticContact CE2-CZ 3.89Å; F152-F373 HydrophobicContact CE2-CZ 3.89Å
153R98.8Very high98.6Very high22 Ų2217.4 Ų17.48%0.0839%0.088CC..Hα-helixtrans-59-45.1177.7-71.3166.485.384.7-9.6112.3P149 T150 A155 V156 Y157 L224 L225 E227 Y277P149-R153 WeakPolarHBondContact O-CB 3.49Å; P149-R153 VanDerWaalsContact O-CD 3.32Å; P149-R153 WeakPolarHBondContact O-CD 3.48Å; P149-R153 WeakPolarHBondContact O-CG 3.43Å; P149-R153 PolarHBondContact O-N 2.86Å; T150-R153 PolarHBondContact O-N 3.28Å; R153-A155 VanDerWaalsContact C-N 3.33Å; R153-A155 PolarHBondContact O-N 2.77Å; R153-V156 PolarHBondContact O-N 2.81Å; R153-Y157 VanDerWaalsContact O-CB 3.28Å; R153-Y157 WeakPolarHBondContact O-CB 3.5Å; R153-Y157 PolarHBondContact O-N 3.08Å; R153-L224 PolarHBondContact NH2-O 3.38Å; R153-L225 HydrophobicContact CB-CB 4.25Å; R153-L225 WeakPolarHBondContact CB-O 3.26Å; R153-L225 HydrophobicContact CG-CD2 4.18Å; R153-L225 PolarHBondContact NE-O 3.37Å; R153-L225 VanDerWaalsContact NE-O 3.12Å; R153-E227 PolarHBondContact NE-O 3.44Å; R153-E227 PolarHBondContact NH2-O 2.93Å; R153-Y277 HydrophobicContact CG-CE1 3.74Å
154I98.8Very high98.7Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-61.8-41.5176.3-64.6-56.7000111.7M53 T150 F152 S158 L253 T257 F259 C261M53-I154 HydrophobicContact SD-CG2 4.02Å; T150-I154 VanDerWaalsContact O-CG1 3.31Å; T150-I154 WeakPolarHBondContact O-CG1 3.35Å; T150-I154 PolarHBondContact O-N 2.95Å; T150-I154 VanDerWaalsContact O-N 3.07Å; F152-I154 PolarHBondContact O-N 2.96Å; I154-S158 WeakPolarHBondContact O-CB 3.49Å; I154-S158 PolarHBondContact O-N 3Å; I154-S158 PolarHBondContact O-OG 3.44Å; I154-L253 HydrophobicContact CD1-CD2 4.27Å; I154-L253 HydrophobicContact CG1-CD2 4.31Å; I154-T257 HydrophobicContact CD1-CG2 4.18Å; I154-T257 HydrophobicContact CG1-CG2 4.39Å; I154-T257 HydrophobicContact CG2-CG2 3.83Å; I154-F259 HydrophobicContact CD1-CD2 4.24Å; I154-F259 HydrophobicContact CG2-CD2 4.39Å; I154-F259 HydrophobicContact CG2-CE2 4.17Å; I154-C261 VanDerWaalsContact CD1-SG 3.59Å
155A98.7Very high98.7Very high0 Ų020.3 Ų20.30%010%0.102CC..Hα-helixtrans-66.6-45178.900000112.2E46 F47 G151 F152 R153 S158 S159 F373E46-A155 WeakPolarHBondContact O-CB 3.4Å; F47-A155 HydrophobicContact CB-CB 4.35Å; F47-A155 HydrophobicContact CD2-CB 4.16Å; G151-A155 WeakPolarHBondContact O-CB 3.13Å; G151-A155 PolarHBondContact O-N 3.03Å; F152-A155 WeakPolarHBondContact O-CB 3.42Å; F152-A155 PolarHBondContact O-N 2.94Å; R153-A155 VanDerWaalsContact C-N 3.33Å; R153-A155 PolarHBondContact O-N 2.77Å; A155-S158 PolarHBondContact O-N 3.46Å; A155-S159 WeakPolarHBondContact O-CB 3.23Å; A155-S159 PolarHBondContact O-N 3.41Å; A155-S159 PolarHBondContact O-OG 3Å; A155-F373 HydrophobicContact CB-CE1 3.92Å; A155-F373 HydrophobicContact CB-CZ 3.69Å
156V98.8Very high98.7Very high1 Ų119 Ų191%0.00610%0.095CC..Hα-helixtrans-63-47.4175.4173.70000110.4F152 R153 S158 S159 L160 L225 M372 F373F152-V156 HydrophobicContact CD2-CG2 3.64Å; F152-V156 HydrophobicContact CE2-CG2 3.17Å; F152-V156 HydrophobicContact CZ-CG2 3.9Å; F152-V156 WeakPolarHBondContact O-CG2 3.33Å; F152-V156 PolarHBondContact O-N 3.39Å; R153-V156 PolarHBondContact O-N 2.81Å; V156-S158 VanDerWaalsContact C-N 3.31Å; V156-S158 PolarHBondContact O-N 3.49Å; V156-S159 CarbonylContact O-C 3.44Å; V156-S159 WeakPolarHBondContact O-CA 3.42Å; V156-S159 WeakPolarHBondContact O-CB 3.33Å; V156-S159 PolarHBondContact O-N 2.93Å; V156-L160 HydrophobicContact CG1-CD1 3.93Å; V156-L160 HydrophobicContact CG1-CG 4.16Å; V156-L160 WeakPolarHBondContact O-CG 3.42Å; V156-L160 PolarHBondContact O-N 2.57Å; V156-L225 HydrophobicContact CB-CD1 4.04Å; V156-L225 HydrophobicContact CG1-CD1 3.57Å; V156-M372 HydrophobicContact CG1-CE 3.65Å; V156-M372 HydrophobicContact CG2-CB 4.48Å; V156-M372 HydrophobicContact CG2-CE 4.45Å; V156-M372 HydrophobicContact CG2-SD 4.36Å; V156-F373 HydrophobicContact CG2-CE1 3.86Å; V156-F373 HydrophobicContact CG2-CZ 3.94Å
157Y98.8Very high98.7Very high43 Ų4319 Ų1917%0.16910%0.095CC..Hα-helixtrans-55.9-46.1177.7-174.8-94.4000111.7R153 S159 L160 I161 A222 L226 F259R153-Y157 VanDerWaalsContact O-CB 3.28Å; R153-Y157 WeakPolarHBondContact O-CB 3.5Å; R153-Y157 PolarHBondContact O-N 3.08Å; Y157-S159 VanDerWaalsContact C-N 3.27Å; Y157-S159 PolarHBondContact O-N 3.46Å; Y157-L160 PolarHBondContact O-N 2.85Å; Y157-I161 HydrophobicContact CD1-CD1 3.94Å; Y157-I161 HydrophobicContact CE1-CD1 3.6Å; Y157-I161 HydrophobicContact CE1-CG1 4.28Å; Y157-I161 PolarHBondContact O-N 3.21Å; Y157-I161 VanDerWaalsContact O-N 3.12Å; Y157-A222 HydrophobicContact CD2-CB 4Å; Y157-A222 WeakPolarHBondContact CD2-O 3.26Å; Y157-A222 HydrophobicContact CE2-CB 4.05Å; Y157-L226 HydrophobicContact CD1-CD2 3.98Å; Y157-L226 HydrophobicContact CD2-CD1 4.49Å; Y157-L226 HydrophobicContact CD2-CD2 3.83Å; Y157-L226 HydrophobicContact CD2-CG 4.01Å; Y157-L226 HydrophobicContact CE1-CD2 3.98Å; Y157-L226 HydrophobicContact CE2-CD1 3.78Å; Y157-L226 HydrophobicContact CE2-CD2 3.87Å; Y157-L226 HydrophobicContact CE2-CG 3.8Å; Y157-L226 HydrophobicContact CG-CD2 3.9Å; Y157-F259 HydrophobicContact CD1-CD1 4.18Å; Y157-F259 AromaticContact CD1-CD2 3.63Å; Y157-F259 HydrophobicContact CD1-CD2 3.63Å; Y157-F259 HydrophobicContact CD1-CE1 4.23Å; Y157-F259 AromaticContact CD1-CE2 3.7Å; Y157-F259 HydrophobicContact CD1-CE2 3.7Å; Y157-F259 AromaticContact CD1-CG 3.9Å; Y157-F259 HydrophobicContact CD1-CG 3.9Å; Y157-F259 HydrophobicContact CD1-CZ 4Å; Y157-F259 HydrophobicContact CE1-CB 4.32Å; Y157-F259 AromaticContact CE1-CD1 3.76Å; Y157-F259 HydrophobicContact CE1-CD1 3.76Å; Y157-F259 HydrophobicContact CE1-CD2 4Å; Y157-F259 HydrophobicContact CE1-CE1 4.03Å; Y157-F259 HydrophobicContact CE1-CE2 4.26Å; Y157-F259 AromaticContact CE1-CG 3.76Å; Y157-F259 HydrophobicContact CE1-CG 3.76Å; Y157-F259 HydrophobicContact CE1-CZ 4.28Å
158S98.3Very high98.7Very high27 Ų2720.6 Ų20.619%0.18910%0.104CC..Hα-helixtrans-59.3-37.8174.9-59.10000112.7I154 A155 V156 F259I154-S158 WeakPolarHBondContact O-CB 3.49Å; I154-S158 PolarHBondContact O-N 3Å; I154-S158 PolarHBondContact O-OG 3.44Å; A155-S158 PolarHBondContact O-N 3.46Å; V156-S158 VanDerWaalsContact C-N 3.31Å; V156-S158 PolarHBondContact O-N 3.49Å; S158-F259 WeakPolarHBondContact OG-CE2 3.25Å
159S98.6Very high98.7Very high12 Ų1223.7 Ų23.78%0.08412%0.118CC..Hα-helixtrans-72.7-36.9179.5-53.30000111.6A155 V156 Y157 I161 K162 L163 V376A155-S159 WeakPolarHBondContact O-CB 3.23Å; A155-S159 PolarHBondContact O-N 3.41Å; A155-S159 PolarHBondContact O-OG 3Å; V156-S159 CarbonylContact O-C 3.44Å; V156-S159 WeakPolarHBondContact O-CA 3.42Å; V156-S159 WeakPolarHBondContact O-CB 3.33Å; V156-S159 PolarHBondContact O-N 2.93Å; Y157-S159 VanDerWaalsContact C-N 3.27Å; Y157-S159 PolarHBondContact O-N 3.46Å; S159-I161 VanDerWaalsContact C-N 3.34Å; S159-I161 PolarHBondContact O-N 3.33Å; S159-K162 WeakPolarHBondContact O-CB 3.42Å; S159-K162 PolarHBondContact O-N 3Å; S159-L163 PolarHBondContact O-N 3.46Å; S159-V376 WeakPolarHBondContact O-CG1 3.29Å
160L98.8Very high98.7Very high3 Ų323.4 Ų23.42%0.01612%0.116CC..Hα-helixtrans-65.7-35.1175.9-69.3173.5000112.3V156 Y157 K162 L163 V164 I218 A222 L225 V280 L284 V376V156-L160 HydrophobicContact CG1-CD1 3.93Å; V156-L160 HydrophobicContact CG1-CG 4.16Å; V156-L160 WeakPolarHBondContact O-CG 3.42Å; V156-L160 PolarHBondContact O-N 2.57Å; Y157-L160 PolarHBondContact O-N 2.85Å; L160-K162 VanDerWaalsContact C-N 3.29Å; L160-K162 PolarHBondContact O-N 3.35Å; L160-L163 HydrophobicContact CD2-CD2 4.33Å; L160-L163 PolarHBondContact O-N 3.13Å; L160-V164 WeakPolarHBondContact O-CG2 3.29Å; L160-V164 PolarHBondContact O-N 2.81Å; L160-I218 HydrophobicContact CB-CG2 4.49Å; L160-I218 HydrophobicContact CD2-CG2 4.09Å; L160-A222 HydrophobicContact CD1-CB 3.69Å; L160-L225 HydrophobicContact CD1-CD1 3.82Å; L160-V280 HydrophobicContact CD1-CG1 3.73Å; L160-V280 HydrophobicContact CD2-CG1 4.4Å; L160-L284 HydrophobicContact CD2-CD2 3.93Å; L160-V376 HydrophobicContact CD2-CG2 3.8Å
161I98.2Very high98.7Very high83 Ų8326.1 Ų26.143%0.42613%0.126SC..Hα-helixtrans-57.9-45.1172.9-68.4168000110.4Y157 S159 V164 D165 F259Y157-I161 HydrophobicContact CD1-CD1 3.94Å; Y157-I161 HydrophobicContact CE1-CD1 3.6Å; Y157-I161 HydrophobicContact CE1-CG1 4.28Å; Y157-I161 PolarHBondContact O-N 3.21Å; Y157-I161 VanDerWaalsContact O-N 3.12Å; S159-I161 VanDerWaalsContact C-N 3.34Å; S159-I161 PolarHBondContact O-N 3.33Å; I161-V164 PolarHBondContact O-N 3.4Å; I161-D165 PolarHBondContact O-N 3.23Å; I161-D165 VanDerWaalsContact O-N 3.08Å; I161-F259 HydrophobicContact CD1-CE1 3.89Å; I161-F259 HydrophobicContact CD1-CZ 4.13Å
162K98.1Very high98.7Very high103 Ų10330.4 Ų30.445%0.44815%0.146SC..Hα-helixtrans-65.3-40.3177.9-60.1-175.6-171.8-173.60112.1E46 S159 L160 D165 A166E46-K162 IonicContact OE1-NZ 2.74Å; E46-K162 PolarHBondContact OE1-NZ 2.91Å; S159-K162 WeakPolarHBondContact O-CB 3.42Å; S159-K162 PolarHBondContact O-N 3Å; L160-K162 VanDerWaalsContact C-N 3.29Å; L160-K162 PolarHBondContact O-N 3.35Å; K162-D165 PolarHBondContact O-N 2.98Å; K162-A166 PolarHBondContact O-N 3.23Å
163L98.8Very high98.7Very high0 Ų030.4 Ų30.40%015%0.146CC..Hα-helixtrans-62.8-43.3175.2174.360.6000111.5S159 L160 D165 A166 I167 I218 L284 V376 L379S159-L163 PolarHBondContact O-N 3.46Å; L160-L163 HydrophobicContact CD2-CD2 4.33Å; L160-L163 PolarHBondContact O-N 3.13Å; L163-D165 VanDerWaalsContact C-N 3.29Å; L163-D165 PolarHBondContact O-N 2.85Å; L163-A166 PolarHBondContact O-N 3.31Å; L163-I167 HydrophobicContact CD1-CD1 4.04Å; L163-I167 HydrophobicContact CD1-CG1 4.1Å; L163-I167 HydrophobicContact CG-CD1 3.85Å; L163-I167 HydrophobicContact CG-CG1 4.39Å; L163-I167 VanDerWaalsContact O-CG1 3.26Å; L163-I167 WeakPolarHBondContact O-CG1 3.18Å; L163-I167 PolarHBondContact O-N 2.82Å; L163-I218 HydrophobicContact CD2-CD1 4.39Å; L163-L284 HydrophobicContact CD2-CD2 3.51Å; L163-V376 HydrophobicContact CB-CG1 4.06Å; L163-V376 HydrophobicContact CD2-CG1 4.3Å; L163-L379 HydrophobicContact CD1-CB 3.75Å; L163-L379 HydrophobicContact CD2-CB 4.44Å; L163-L379 HydrophobicContact CD2-CD1 4.42Å
164V98.8Very high98.7Very high15 Ų1529.3 Ų29.39%0.09114%0.142CC..Hα-helixtrans-59.5-41.2176.6164.90000111.2L160 I161 I167 N168 V215 I218 Q219L160-V164 WeakPolarHBondContact O-CG2 3.29Å; L160-V164 PolarHBondContact O-N 2.81Å; I161-V164 PolarHBondContact O-N 3.4Å; V164-I167 PolarHBondContact O-N 2.95Å; V164-N168 PolarHBondContact O-N 2.95Å; V164-N168 PolarHBondContact O-ND2 3.19Å; V164-V215 HydrophobicContact CG1-CG1 3.78Å; V164-V215 HydrophobicContact CG1-CG2 4.5Å; V164-I218 HydrophobicContact CG2-CB 4.44Å; V164-I218 HydrophobicContact CG2-CG2 3.89Å; V164-Q219 HydrophobicContact CG2-CG 4.19Å
165D98.7Very high98.7Very high80 Ų8031.9 Ų31.943%0.42815%0.154SC..Hα-helixtrans-61-48.3173.6-173.565.3000111.7I161 K162 L163 I167 N168 Q169I161-D165 PolarHBondContact O-N 3.23Å; I161-D165 VanDerWaalsContact O-N 3.08Å; K162-D165 PolarHBondContact O-N 2.98Å; L163-D165 VanDerWaalsContact C-N 3.29Å; L163-D165 PolarHBondContact O-N 2.85Å; D165-I167 VanDerWaalsContact C-N 3.32Å; D165-I167 PolarHBondContact O-N 2.86Å; D165-N168 WeakPolarHBondContact O-CB 3.12Å; D165-N168 PolarHBondContact O-N 2.89Å; D165-Q169 WeakPolarHBondContact O-CG 3.28Å; D165-Q169 PolarHBondContact O-N 3.33Å; D165-Q169 PolarHBondContact OD2-NE2 3.14Å
166A98.9Very high98.7Very high0 Ų037.8 Ų37.80%018%0.177CC..Hα-helixtrans-59.4-39.7177.600000112.9K162 L163 Q169 L170 T380 C383 Y384K162-A166 PolarHBondContact O-N 3.23Å; L163-A166 PolarHBondContact O-N 3.31Å; A166-Q169 PolarHBondContact O-N 3.41Å; A166-L170 WeakPolarHBondContact O-CB 3.31Å; A166-L170 PolarHBondContact O-N 3.31Å; A166-T380 HydrophobicContact CB-CG2 3.99Å; A166-C383 HydrophobicContact CB-CB 3.82Å; A166-Y384 HydrophobicContact CB-CD1 4.3Å; A166-Y384 HydrophobicContact CB-CD2 4.49Å; A166-Y384 HydrophobicContact CB-CE1 3.72Å; A166-Y384 HydrophobicContact CB-CE2 3.97Å
167I98.9Very high98.7Very high0 Ų038.4 Ų38.40%018%0.179CC..Hα-helixtrans-65.1-41.3175.1-63.6161.5000110.7L163 V164 D165 L170 R171 L211 V215 I218 L287L163-I167 HydrophobicContact CD1-CD1 4.04Å; L163-I167 HydrophobicContact CD1-CG1 4.1Å; L163-I167 HydrophobicContact CG-CD1 3.85Å; L163-I167 HydrophobicContact CG-CG1 4.39Å; L163-I167 VanDerWaalsContact O-CG1 3.26Å; L163-I167 WeakPolarHBondContact O-CG1 3.18Å; L163-I167 PolarHBondContact O-N 2.82Å; V164-I167 PolarHBondContact O-N 2.95Å; D165-I167 VanDerWaalsContact C-N 3.32Å; D165-I167 PolarHBondContact O-N 2.86Å; I167-L170 PolarHBondContact O-N 2.8Å; I167-R171 VanDerWaalsContact O-CB 3.29Å; I167-R171 WeakPolarHBondContact O-CB 3.32Å; I167-R171 PolarHBondContact O-N 3.41Å; I167-L211 HydrophobicContact CG2-CB 3.98Å; I167-L211 HydrophobicContact CG2-CD2 4.44Å; I167-V215 HydrophobicContact CB-CG2 4.07Å; I167-V215 HydrophobicContact CG2-CG2 3.59Å; I167-I218 HydrophobicContact CD1-CD1 3.67Å; I167-L287 HydrophobicContact CD1-CD1 4.34Å; I167-L287 HydrophobicContact CD1-CD2 3.52Å; I167-L287 HydrophobicContact CG1-CD2 4.11Å
168N98.8Very high98.7Very high34 Ų3436.6 Ų36.618%0.18217%0.173CC..Hα-helixtrans-64.8-41.7177.3-79.1-50.1000111.9V164 D165 R171 E172V164-N168 PolarHBondContact O-N 2.95Å; V164-N168 PolarHBondContact O-ND2 3.19Å; D165-N168 WeakPolarHBondContact O-CB 3.12Å; D165-N168 PolarHBondContact O-N 2.89Å; N168-R171 WeakPolarHBondContact O-CB 3.24Å; N168-R171 PolarHBondContact O-N 2.79Å; N168-R171 VanDerWaalsContact OD1-CZ 3.3Å; N168-R171 PolarHBondContact OD1-NH1 3.15Å; N168-E172 WeakPolarHBondContact O-CG 3.42Å; N168-E172 PolarHBondContact O-N 3.44Å
169Q98.8Very high98.7Very high68 Ų6838.9 Ų38.932%0.31819%0.186SC..Hα-helixtrans-62.5-44.4174.9-66.9-172.446.600111.5D165 A166 R171 E172 G173 L387D165-Q169 WeakPolarHBondContact O-CG 3.28Å; D165-Q169 PolarHBondContact O-N 3.33Å; D165-Q169 PolarHBondContact OD2-NE2 3.14Å; A166-Q169 PolarHBondContact O-N 3.41Å; Q169-R171 PolarHBondContact O-N 3.07Å; Q169-E172 PolarHBondContact O-N 3.38Å; Q169-G173 PolarHBondContact O-N 3.2Å; Q169-L387 HydrophobicContact CB-CD2 3.86Å; Q169-L387 WeakPolarHBondContact O-CD2 3.4Å
170L98.9Very high98.7Very high1 Ų143.4 Ų43.41%0.00521%0.205CC..Hα-helixtrans-60.8-45.5175.5177.163.4000111.5A166 I167 E172 G173 F174 L211 M291 C383 L386 L387 I391A166-L170 WeakPolarHBondContact O-CB 3.31Å; A166-L170 PolarHBondContact O-N 3.31Å; I167-L170 PolarHBondContact O-N 2.8Å; L170-E172 VanDerWaalsContact C-N 3.3Å; L170-E172 PolarHBondContact O-N 2.97Å; L170-G173 WeakPolarHBondContact O-CA 3.48Å; L170-G173 PolarHBondContact O-N 3.23Å; L170-F174 HydrophobicContact CD1-CD2 4.19Å; L170-F174 HydrophobicContact CD1-CE2 3.73Å; L170-F174 HydrophobicContact CD2-CE2 4.3Å; L170-F174 HydrophobicContact CG-CD2 4.12Å; L170-F174 HydrophobicContact CG-CE2 3.85Å; L170-F174 WeakPolarHBondContact O-CD2 3.29Å; L170-F174 PolarHBondContact O-N 2.79Å; L170-F174 VanDerWaalsContact O-N 3.12Å; L170-L211 HydrophobicContact CB-CD1 4.42Å; L170-L211 HydrophobicContact CD2-CD1 3.76Å; L170-L211 HydrophobicContact CG-CD1 3.78Å; L170-M291 HydrophobicContact CD2-CE 4.08Å; L170-C383 HydrophobicContact CB-CB 4.33Å; L170-C383 HydrophobicContact CD2-CB 4.3Å; L170-L386 HydrophobicContact CD1-CB 4.18Å; L170-L386 HydrophobicContact CD1-CD2 4.1Å; L170-L386 HydrophobicContact CD1-CG 4.06Å; L170-L386 HydrophobicContact CD2-CD2 4.1Å; L170-L387 HydrophobicContact CD1-CB 3.89Å; L170-I391 HydrophobicContact CD1-CG1 3.94Å
171R98.6Very high98.7Very high56 Ų5643.4 Ų43.421%0.21121%0.205CC..Hα-helixtrans-55.7-45.6175.2178-164.571.8-178.41.9111.3I167 N168 Q169 G173 F174 E175 S208 L211I167-R171 VanDerWaalsContact O-CB 3.29Å; I167-R171 WeakPolarHBondContact O-CB 3.32Å; I167-R171 PolarHBondContact O-N 3.41Å; N168-R171 WeakPolarHBondContact O-CB 3.24Å; N168-R171 PolarHBondContact O-N 2.79Å; N168-R171 VanDerWaalsContact OD1-CZ 3.3Å; N168-R171 PolarHBondContact OD1-NH1 3.15Å; Q169-R171 PolarHBondContact O-N 3.07Å; R171-G173 VanDerWaalsContact C-N 3.26Å; R171-G173 PolarHBondContact O-N 3.46Å; R171-F174 PolarHBondContact O-N 3.12Å; R171-E175 WeakPolarHBondContact O-CB 3.42Å; R171-E175 PolarHBondContact O-N 2.96Å; R171-S208 WeakPolarHBondContact CG-O 3.39Å; R171-S208 WeakPolarHBondContact CG-OG 3.47Å; R171-L211 HydrophobicContact CB-CB 4.29Å; R171-L211 HydrophobicContact CB-CD1 4.41Å
172E98.7Very high98.7Very high90 Ų9044 Ų4442%0.42121%0.206SC..Hα-helixtrans-64-31177.4-74170.7-165.200112.7N168 Q169 L170 E175 R176N168-E172 WeakPolarHBondContact O-CG 3.42Å; N168-E172 PolarHBondContact O-N 3.44Å; Q169-E172 PolarHBondContact O-N 3.38Å; L170-E172 VanDerWaalsContact C-N 3.3Å; L170-E172 PolarHBondContact O-N 2.97Å; E172-E175 WeakPolarHBondContact O-CB 3.21Å; E172-E175 PolarHBondContact O-N 3.38Å; E172-R176 WeakPolarHBondContact O-CG 3.41Å; E172-R176 PolarHBondContact O-N 2.83Å; E172-R176 PolarHBondContact O-NH1 3.34Å
173G98.8Very high98.7Very high0 Ų043.3 Ų43.30%021%0.208CC..Hα-helixtrans-60.1-51.3168.400000112.9Q169 L170 R171 E175 R176 K177Q169-G173 PolarHBondContact O-N 3.2Å; L170-G173 WeakPolarHBondContact O-CA 3.48Å; L170-G173 PolarHBondContact O-N 3.23Å; R171-G173 VanDerWaalsContact C-N 3.26Å; R171-G173 PolarHBondContact O-N 3.46Å; G173-E175 VanDerWaalsContact C-N 3.28Å; G173-E175 PolarHBondContact O-N 3.5Å; G173-R176 PolarHBondContact O-N 2.98Å; G173-K177 PolarHBondContact O-N 3.46Å; G173-K177 VanDerWaalsContact O-N 3.15Å
174F98.9Very high98.6Very high0 Ų044.3 Ų44.30%021%0.213CC..Hα-helixtrans-61.7-38.1176-78.5-68.4000112.3L170 R171 K177 A178 F204 F207 L211 I294 I391L170-F174 HydrophobicContact CD1-CD2 4.19Å; L170-F174 HydrophobicContact CD1-CE2 3.73Å; L170-F174 HydrophobicContact CD2-CE2 4.3Å; L170-F174 HydrophobicContact CG-CD2 4.12Å; L170-F174 HydrophobicContact CG-CE2 3.85Å; L170-F174 WeakPolarHBondContact O-CD2 3.29Å; L170-F174 PolarHBondContact O-N 2.79Å; L170-F174 VanDerWaalsContact O-N 3.12Å; R171-F174 PolarHBondContact O-N 3.12Å; F174-K177 PolarHBondContact O-N 3.26Å; F174-A178 WeakPolarHBondContact O-CB 3.47Å; F174-A178 PolarHBondContact O-N 3.04Å; F174-F204 AromaticContact CD1-CD1 3.84Å; F174-F204 HydrophobicContact CD1-CD1 3.84Å; F174-F204 HydrophobicContact CD1-CE1 4.27Å; F174-F204 HydrophobicContact CE1-CD1 4.38Å; F174-F204 HydrophobicContact CE1-CE1 4.4Å; F174-F207 HydrophobicContact CD1-CB 3.8Å; F174-F207 AromaticContact CD1-CD2 3.93Å; F174-F207 HydrophobicContact CD1-CD2 3.93Å; F174-F207 HydrophobicContact CD1-CG 4.37Å; F174-F207 HydrophobicContact CD2-CB 4.46Å; F174-F207 HydrophobicContact CE1-CB 4.03Å; F174-F207 AromaticContact CE1-CD2 3.76Å; F174-F207 HydrophobicContact CE1-CD2 3.76Å; F174-F207 HydrophobicContact CE1-CG 4.29Å; F174-F207 HydrophobicContact CG-CB 4.04Å; F174-F207 HydrophobicContact CZ-CB 4.45Å; F174-L211 HydrophobicContact CD2-CD1 3.77Å; F174-L211 HydrophobicContact CE2-CD1 3.93Å; F174-I294 HydrophobicContact CE1-CG2 4.01Å; F174-I294 HydrophobicContact CE2-CG2 4.3Å; F174-I294 HydrophobicContact CZ-CG2 3.5Å; F174-I294 VanDerWaalsContact CZ-CG2 3.5Å; F174-I391 HydrophobicContact CD1-CD1 4.42Å; F174-I391 HydrophobicContact CD1-CG2 4.07Å; F174-I391 HydrophobicContact CE1-CD1 3.51Å; F174-I391 HydrophobicContact CE1-CG1 4.07Å; F174-I391 HydrophobicContact CE1-CG2 4.23Å; F174-I391 HydrophobicContact CE2-CD1 4.19Å; F174-I391 HydrophobicContact CE2-CG1 4.06Å; F174-I391 HydrophobicContact CG-CG2 4.26Å; F174-I391 HydrophobicContact CZ-CD1 3.36Å; F174-I391 HydrophobicContact CZ-CG1 3.73Å
175E98.7Very high98.6Very high53 Ų5343.6 Ų43.625%0.24821%0.208CC..Hα-helixtrans-60.7-46.1176.4-178.262.6-160.300112.5R171 E172 G173 K177 A178 V179 R205 S208R171-E175 WeakPolarHBondContact O-CB 3.42Å; R171-E175 PolarHBondContact O-N 2.96Å; E172-E175 WeakPolarHBondContact O-CB 3.21Å; E172-E175 PolarHBondContact O-N 3.38Å; G173-E175 VanDerWaalsContact C-N 3.28Å; G173-E175 PolarHBondContact O-N 3.5Å; E175-K177 VanDerWaalsContact C-N 3.34Å; E175-K177 PolarHBondContact O-N 3.17Å; E175-A178 WeakPolarHBondContact O-CB 3.5Å; E175-A178 PolarHBondContact O-N 2.91Å; E175-V179 PolarHBondContact O-N 3.21Å; E175-V179 VanDerWaalsContact O-N 3.15Å; E175-R205 IonicContact OE1-CZ 2.65Å; E175-R205 IonicContact OE1-NE 2.65Å; E175-R205 IonicContact OE1-NH1 3.69Å; E175-R205 PolarHBondContact OE1-NH1 3.35Å; E175-R205 IonicContact OE1-NH2 3.54Å; E175-R205 PolarHBondContact OE1-NH2 3.39Å; E175-R205 IonicContact OE2-CZ 2.73Å; E175-R205 IonicContact OE2-NE 2.57Å; E175-R205 PolarHBondContact OE2-NE 3Å; E175-R205 IonicContact OE2-NH1 3.09Å; E175-R205 PolarHBondContact OE2-NH1 3.26Å; E175-R205 IonicContact OE2-NH2 3.56Å; E175-S208 PolarHBondContact OE2-OG 3.44Å
176R98.8Very high98.6Very high124 Ų12439.9 Ų39.947%0.46819%0.189SC..Hα-helixtrans-60.1-45.1175.1-73.6-174.4-61.4-905.3111.4E172 G173 A178 V179 E180 N392E172-R176 WeakPolarHBondContact O-CG 3.41Å; E172-R176 PolarHBondContact O-N 2.83Å; E172-R176 PolarHBondContact O-NH1 3.34Å; G173-R176 PolarHBondContact O-N 2.98Å; R176-A178 VanDerWaalsContact C-N 3.32Å; R176-A178 PolarHBondContact O-N 3.04Å; R176-V179 PolarHBondContact O-N 3.08Å; R176-E180 PolarHBondContact O-N 3.4Å; R176-N392 PolarHBondContact NH2-OD1 3.42Å
177K98.8Very high98.6Very high15 Ų1539.9 Ų39.97%0.06519%0.189CC..Hα-helixtrans-66.5-32.7176.4-70.1-59.9179.4-172.80113.1G173 F174 E175 V179 E180 F181 F204 I391 N392 I394G173-K177 PolarHBondContact O-N 3.46Å; G173-K177 VanDerWaalsContact O-N 3.15Å; F174-K177 PolarHBondContact O-N 3.26Å; E175-K177 VanDerWaalsContact C-N 3.34Å; E175-K177 PolarHBondContact O-N 3.17Å; K177-V179 VanDerWaalsContact C-N 3.31Å; K177-V179 PolarHBondContact O-N 3.42Å; K177-E180 WeakPolarHBondContact CD-OE2 3.37Å; K177-E180 VanDerWaalsContact NZ-CD 3.31Å; K177-E180 IonicContact NZ-OE1 2.68Å; K177-E180 PolarHBondContact NZ-OE1 3.49Å; K177-E180 VanDerWaalsContact NZ-OE1 3.11Å; K177-E180 IonicContact NZ-OE2 3.17Å; K177-E180 PolarHBondContact NZ-OE2 3.12Å; K177-E180 PolarHBondContact O-N 3.23Å; K177-F181 HydrophobicContact CB-CD2 4.2Å; K177-F181 HydrophobicContact CB-CE2 3.97Å; K177-F181 HydrophobicContact CD-CE1 4.49Å; K177-F181 HydrophobicContact CD-CE2 3.92Å; K177-F181 HydrophobicContact CD-CZ 3.77Å; K177-F181 HydrophobicContact CG-CE2 4.34Å; K177-F181 VanDerWaalsContact O-CB 3.32Å; K177-F181 WeakPolarHBondContact O-CB 3.39Å; K177-F181 VanDerWaalsContact O-CD2 3.28Å; K177-F181 WeakPolarHBondContact O-CD2 3.5Å; K177-F181 VanDerWaalsContact O-CG 3.25Å; K177-F181 WeakPolarHBondContact O-CG 3.35Å; K177-F181 PolarHBondContact O-N 3.25Å; K177-F204 HydrophobicContact CB-CD1 3.51Å; K177-F204 HydrophobicContact CB-CE1 3.99Å; K177-F204 HydrophobicContact CB-CG 4.35Å; K177-F204 HydrophobicContact CG-CD1 4.4Å; K177-F204 HydrophobicContact CG-CE1 4.46Å; K177-I391 WeakPolarHBondContact CE-O 3.45Å; K177-I391 HydrophobicContact CG-CG2 4.22Å; K177-I391 WeakPolarHBondContact CG-O 3.4Å; K177-N392 WeakPolarHBondContact CE-O 2.79Å; K177-N392 PolarHBondContact NZ-O 2.88Å; K177-I394 VanDerWaalsContact CE-O 3.24Å; K177-I394 WeakPolarHBondContact CE-O 3.29Å; K177-I394 PolarHBondContact NZ-O 3.32Å
178A98.8Very high98.5Very high4 Ų440.4 Ų40.43%0.03319%0.193CC..Hα-helixtrans-61.9-40.2174.300000112.1F174 E175 R176 Q182 G201 F204 R205F174-A178 WeakPolarHBondContact O-CB 3.47Å; F174-A178 PolarHBondContact O-N 3.04Å; E175-A178 WeakPolarHBondContact O-CB 3.5Å; E175-A178 PolarHBondContact O-N 2.91Å; R176-A178 VanDerWaalsContact C-N 3.32Å; R176-A178 PolarHBondContact O-N 3.04Å; A178-Q182 WeakPolarHBondContact O-CA 3.35Å; A178-Q182 PolarHBondContact O-N 3.23Å; A178-Q182 VanDerWaalsContact O-N 3.15Å; A178-G201 WeakPolarHBondContact CB-O 3.33Å; A178-G201 WeakPolarHBondContact O-CA 3.2Å; A178-F204 HydrophobicContact CB-CB 4Å; A178-R205 HydrophobicContact CB-CB 3.93Å
179V98.7Very high98.5Very high75 Ų7541.9 Ų41.946%0.45520%0.196SC..Hα-helixtrans-70.2-45.7174.6176.10000110.9E175 R176 K177 F181 Q182E175-V179 PolarHBondContact O-N 3.21Å; E175-V179 VanDerWaalsContact O-N 3.15Å; R176-V179 PolarHBondContact O-N 3.08Å; K177-V179 VanDerWaalsContact C-N 3.31Å; K177-V179 PolarHBondContact O-N 3.42Å; V179-F181 PolarHBondContact O-N 2.86Å; V179-Q182 WeakPolarHBondContact O-CB 3.29Å; V179-Q182 VanDerWaalsContact O-CG 3.25Å; V179-Q182 WeakPolarHBondContact O-CG 3.22Å; V179-Q182 PolarHBondContact O-N 2.84Å
180E98.6Very high98.5Very high107 Ų10742.9 Ų42.950%0.521%0.208SC..Hα-helixtrans-57.5-37.8177.7-171.4-177.9140.500112.3R176 K177R176-E180 PolarHBondContact O-N 3.4Å; K177-E180 WeakPolarHBondContact CD-OE2 3.37Å; K177-E180 VanDerWaalsContact NZ-CD 3.31Å; K177-E180 IonicContact NZ-OE1 2.68Å; K177-E180 PolarHBondContact NZ-OE1 3.49Å; K177-E180 VanDerWaalsContact NZ-OE1 3.11Å; K177-E180 IonicContact NZ-OE2 3.17Å; K177-E180 PolarHBondContact NZ-OE2 3.12Å; K177-E180 PolarHBondContact O-N 3.23Å
181F98.7Very high98.5Very high4 Ų451.7 Ų51.72%0.01825%0.249CC..THydrogen-bonded Turntrans-99.610.4-176.8-55.7-28.2000114.1K177 V179 D183 I184 L200 G201 F204 I394 A396K177-F181 HydrophobicContact CB-CD2 4.2Å; K177-F181 HydrophobicContact CB-CE2 3.97Å; K177-F181 HydrophobicContact CD-CE1 4.49Å; K177-F181 HydrophobicContact CD-CE2 3.92Å; K177-F181 HydrophobicContact CD-CZ 3.77Å; K177-F181 HydrophobicContact CG-CE2 4.34Å; K177-F181 VanDerWaalsContact O-CB 3.32Å; K177-F181 WeakPolarHBondContact O-CB 3.39Å; K177-F181 VanDerWaalsContact O-CD2 3.28Å; K177-F181 WeakPolarHBondContact O-CD2 3.5Å; K177-F181 VanDerWaalsContact O-CG 3.25Å; K177-F181 WeakPolarHBondContact O-CG 3.35Å; K177-F181 PolarHBondContact O-N 3.25Å; V179-F181 PolarHBondContact O-N 2.86Å; F181-D183 PolarHBondContact O-N 3.33Å; F181-D183 VanDerWaalsContact O-N 3.13Å; F181-I184 HydrophobicContact CB-CD1 4.31Å; F181-I184 HydrophobicContact CD1-CD1 3.83Å; F181-I184 HydrophobicContact CG-CD1 4.38Å; F181-I184 PolarHBondContact O-N 2.75Å; F181-I184 VanDerWaalsContact O-N 3.14Å; F181-L200 HydrophobicContact CB-CB 3.96Å; F181-L200 HydrophobicContact CB-CD2 3.97Å; F181-L200 HydrophobicContact CB-CG 3.94Å; F181-L200 HydrophobicContact CD1-CD2 4.33Å; F181-L200 HydrophobicContact CD2-CD2 3.62Å; F181-L200 HydrophobicContact CD2-CG 3.85Å; F181-L200 HydrophobicContact CE2-CD2 4.15Å; F181-L200 HydrophobicContact CG-CD2 3.72Å; F181-L200 HydrophobicContact CG-CG 4.1Å; F181-G201 WeakPolarHBondContact O-CA 3.41Å; F181-G201 PolarHBondContact O-N 3.4Å; F181-F204 HydrophobicContact CD2-CD1 4.32Å; F181-F204 HydrophobicContact CD2-CD2 4.11Å; F181-F204 HydrophobicContact CD2-CE1 4.39Å; F181-F204 HydrophobicContact CD2-CE2 4.2Å; F181-F204 HydrophobicContact CD2-CG 4.18Å; F181-F204 HydrophobicContact CD2-CZ 4.34Å; F181-F204 HydrophobicContact CE2-CD1 4.33Å; F181-F204 HydrophobicContact CE2-CE1 4.01Å; F181-F204 HydrophobicContact CE2-CE2 4.29Å; F181-F204 AromaticContact CE2-CZ 3.99Å; F181-F204 HydrophobicContact CE2-CZ 3.99Å; F181-I394 HydrophobicContact CE2-CG2 3.9Å; F181-I394 HydrophobicContact CZ-CG2 3.94Å; F181-A396 HydrophobicContact CD1-CB 4.19Å; F181-A396 HydrophobicContact CE1-CB 4.05Å; F181-A396 HydrophobicContact CZ-CB 4.44Å
182Q98.1Very high98.4Very high95 Ų9555.2 Ų55.244%0.44427%0.271SS..THydrogen-bonded Turntrans-57.1-33.1-172.873.9-176.2-100113.1A178 V179 T199A178-Q182 WeakPolarHBondContact O-CA 3.35Å; A178-Q182 PolarHBondContact O-N 3.23Å; A178-Q182 VanDerWaalsContact O-N 3.15Å; V179-Q182 WeakPolarHBondContact O-CB 3.29Å; V179-Q182 VanDerWaalsContact O-CG 3.25Å; V179-Q182 WeakPolarHBondContact O-CG 3.22Å; V179-Q182 PolarHBondContact O-N 2.84Å; Q182-T199 VanDerWaalsContact O-CB 3.24Å; Q182-T199 WeakPolarHBondContact O-CB 3.4Å; Q182-T199 WeakPolarHBondContact O-CG2 3.46Å; Q182-T199 PolarHBondContact O-OG1 3.05Å
183D97.3Very high98.4Very high89 Ų8957.3 Ų57.348%0.47628%0.281SS..THydrogen-bonded Turntrans-10213-174.9-57.4-49.8000113.7F181 M463F181-D183 PolarHBondContact O-N 3.33Å; F181-D183 VanDerWaalsContact O-N 3.13Å; D183-M463 HydrophobicContact CB-CE 4.17Å; D183-M463 WeakPolarHBondContact OD1-CE 3.26Å
184I98.3Very high98.4Very high21 Ų2161.3 Ų61.311%0.10830%0.302CS..  trans-98.1106.2178.7-59.5-177.1000108.9F181 T199 L200 A396 K398 C401F181-I184 HydrophobicContact CB-CD1 4.31Å; F181-I184 HydrophobicContact CD1-CD1 3.83Å; F181-I184 HydrophobicContact CG-CD1 4.38Å; F181-I184 PolarHBondContact O-N 2.75Å; F181-I184 VanDerWaalsContact O-N 3.14Å; I184-T199 CarbonylContact O-C 3.54Å; I184-T199 WeakPolarHBondContact O-CA 3.5Å; I184-T199 WeakPolarHBondContact O-CB 3.48Å; I184-L200 HydrophobicContact CB-CB 4.13Å; I184-L200 HydrophobicContact CG2-CB 4.16Å; I184-L200 HydrophobicContact CG2-CD2 4.4Å; I184-L200 PolarHBondContact O-N 3.36Å; I184-A396 HydrophobicContact CD1-CB 3.49Å; I184-A396 VanDerWaalsContact CD1-CB 3.49Å; I184-K398 HydrophobicContact CG1-CG 4.48Å; I184-K398 HydrophobicContact CG2-CG 4.34Å; I184-C401 HydrophobicContact CG2-CB 4.13Å
185L98Very high98.3Very high0 Ų062.4 Ų62.40%031%0.311CS..EExtended strand (participates in β ladder)trans-65.5137.1171.9-88172.1000111P197 C401 E402 V405 V459 L462 M463L185-P197 HydrophobicContact CD2-CB 4.26Å; L185-C401 CarbonylContact O-C 3.37Å; L185-C401 WeakPolarHBondContact O-CB 3.36Å; L185-E402 HydrophobicContact CB-CG 4.14Å; L185-E402 PolarHBondContact O-N 3Å; L185-V405 HydrophobicContact CB-CG2 4.26Å; L185-V459 HydrophobicContact CD1-CG1 3.94Å; L185-L462 HydrophobicContact CD1-CB 4.11Å; L185-L462 HydrophobicContact CD1-CD1 4.39Å; L185-L462 HydrophobicContact CD2-CB 3.88Å; L185-M463 HydrophobicContact CD1-CG 4.14Å; L185-M463 HydrophobicContact CD2-CB 4.37Å; L185-M463 HydrophobicContact CD2-CG 3.51Å; L185-M463 HydrophobicContact CG-CG 3.56Å; L185-M463 HydrophobicContact CG-SD 4.41Å
186K98.5Very high98.2Very high2 Ų262.8 Ų62.81%0.00932%0.317CS..EExtended strand (participates in β ladder)trans-142.9160.2171.566.5166-78.1163.20111.6P197 M198 L200 E203 E311 C401 V405K186-P197 WeakPolarHBondContact O-CA 3.49Å; K186-M198 HydrophobicContact CD-CG 4.31Å; K186-M198 HydrophobicContact CG-CG 3.8Å; K186-M198 PolarHBondContact N-O 3.29Å; K186-M198 PolarHBondContact O-N 2.98Å; K186-L200 HydrophobicContact CD-CB 4.14Å; K186-L200 HydrophobicContact CD-CD1 3.77Å; K186-L200 HydrophobicContact CG-CB 4.45Å; K186-E203 WeakPolarHBondContact CD-OE2 3.24Å; K186-E203 WeakPolarHBondContact CE-OE2 3.5Å; K186-E203 VanDerWaalsContact NZ-CD 3.31Å; K186-E203 IonicContact NZ-OE1 2.69Å; K186-E203 PolarHBondContact NZ-OE1 3.15Å; K186-E203 IonicContact NZ-OE2 2.84Å; K186-E203 PolarHBondContact NZ-OE2 2.73Å; K186-E311 WeakPolarHBondContact CE-OE2 3.45Å; K186-E311 IonicContact NZ-OE2 3.72Å; K186-E311 PolarHBondContact NZ-OE2 3.47Å; K186-C401 HydrophobicContact CB-CB 4.04Å; K186-V405 WeakPolarHBondContact O-CG2 3.21Å
187M98.4Very high98.2Very high0 Ų057.3 Ų57.30%030%0.297CS..EExtended strand (participates in β ladder)trans-81.9119.7174-172.152.460.100110.1R189 D194 P197 V405 I411M187-R189 PolarHBondContact O-NH1 3.02Å; M187-D194 HydrophobicContact CG-CB 4.18Å; M187-P197 HydrophobicContact CE-CG 4.11Å; M187-V405 HydrophobicContact CB-CG2 4.46Å; M187-V405 HydrophobicContact CE-CB 4.43Å; M187-V405 HydrophobicContact CE-CG2 4.29Å; M187-I411 HydrophobicContact CE-CG2 4.29Å
188G98.4Very high98.2Very high10 Ų1058.8 Ų58.810%0.10331%0.305CS..EExtended strand (participates in β ladder)trans-64.1149.3167.900000110.3A195 V196G188-A195 WeakPolarHBondContact O-CB 3.42Å; G188-A195 PolarHBondContact O-N 2.88Å; G188-V196 WeakPolarHBondContact CA-O 3.2Å; G188-V196 PolarHBondContact N-O 3.19Å
189R98.8Very high98.2Very high65 Ų6558.8 Ų58.825%0.24530%0.304CS..EExtended strand (participates in β ladder)trans-129.8129.1177.3-66.3-178.6-174.381.3-5.1111.3M187 Q193 E311M187-R189 PolarHBondContact O-NH1 3.02Å; R189-Q193 VanDerWaalsContact CA-O 3.23Å; R189-Q193 WeakPolarHBondContact CA-O 3.36Å; R189-E311 IonicContact CZ-OE1 3.71Å; R189-E311 VanDerWaalsContact CZ-OE1 3.23Å; R189-E311 IonicContact NH1-OE1 3.91Å; R189-E311 PolarHBondContact NH1-OE1 3.05Å; R189-E311 IonicContact NH1-OE2 3.49Å; R189-E311 IonicContact NH2-OE1 3.11Å; R189-E311 PolarHBondContact NH2-OE1 3.38Å
190T98.3Very high98.2Very high90 Ų9055.2 Ų55.255%0.55228%0.283SS*.EExtended strand (participates in β ladder)trans-122.4132.8172.261.10000108.2L192 Q193 A195T190-L192 PolarHBondContact O-N 3.24Å; T190-Q193 PolarHBondContact N-O 2.57Å; T190-Q193 VanDerWaalsContact N-O 3.14Å; T190-Q193 PolarHBondContact O-N 2.85Å; T190-A195 HydrophobicContact CG2-CB 4.14Å
191Q97.9Very high98.2Very high186 Ų18650.3 Ų50.387%0.86926%0.261SS*.THydrogen-bonded Turntrans56.230.7-173.4-47.6179.648.900113Q193Q191-Q193 PolarHBondContact O-N 2.77Å; Q191-Q193 VanDerWaalsContact O-N 3.14Å
192L97.9Very high98.2Very high129 Ų12953.6 Ų53.668%0.67528%0.276SS*.THydrogen-bonded Turntrans60.911.5-174.3-53.5177.5000115.3T190 L300T190-L192 PolarHBondContact O-N 3.24Å; L192-L300 HydrophobicContact CD2-CD2 3.88Å
193Q98.2Very high98.2Very high134 Ų13450.5 Ų50.563%0.62626%0.262SS*.EExtended strand (participates in β ladder)trans-99.4153.2172.6-57.7-57.4-58.500110.5R189 T190 Q191 A195R189-Q193 VanDerWaalsContact CA-O 3.23Å; R189-Q193 WeakPolarHBondContact CA-O 3.36Å; T190-Q193 PolarHBondContact N-O 2.57Å; T190-Q193 VanDerWaalsContact N-O 3.14Å; T190-Q193 PolarHBondContact O-N 2.85Å; Q191-Q193 PolarHBondContact O-N 2.77Å; Q191-Q193 VanDerWaalsContact O-N 3.14Å; Q193-A195 PolarHBondContact O-N 3.09Å
194D98Very high98.3Very high85 Ų8546.2 Ų46.246%0.45524%0.239SC..EExtended strand (participates in β ladder)trans-54.6130.6171.2-71.98.1000110.5M187 S408M187-D194 HydrophobicContact CG-CB 4.18Å; D194-S408 WeakPolarHBondContact CB-OG 3.34Å; D194-S408 PolarHBondContact OD2-OG 3.42Å
195A97.7Very high98.3Very high22 Ų2249.9 Ų49.918%0.18225%0.252CS..EExtended strand (participates in β ladder)trans-116.3-108.2-17900000111.1G188 T190 Q193 G410G188-A195 WeakPolarHBondContact O-CB 3.42Å; G188-A195 PolarHBondContact O-N 2.88Å; T190-A195 HydrophobicContact CG2-CB 4.14Å; Q193-A195 PolarHBondContact O-N 3.09Å; A195-G410 VanDerWaalsContact O-CA 3.32Å; A195-G410 WeakPolarHBondContact O-CA 3.47Å
196V97.2Very high98.3Very high62 Ų6252 Ų5238%0.37627%0.27SS..EExtended strand (participates in β ladder)trans-128.2155.6177-660000110.4G188 T413 Y414G188-V196 WeakPolarHBondContact CA-O 3.2Å; G188-V196 PolarHBondContact N-O 3.19Å; V196-T413 HydrophobicContact CG1-CG2 4.15Å; V196-Y414 HydrophobicContact CB-CE2 4.46Å
197P98Very high98.3Very high8 Ų852.1 Ų52.15%0.05227%0.27CS..EExtended strand (participates in β ladder)trans-58.5146.8176.2-27.538.7000113.3L185 K186 M187 V405 I411 Y414 L462L185-P197 HydrophobicContact CD2-CB 4.26Å; K186-P197 WeakPolarHBondContact O-CA 3.49Å; M187-P197 HydrophobicContact CE-CG 4.11Å; P197-V405 HydrophobicContact CB-CG1 4.08Å; P197-V405 HydrophobicContact CB-CG2 4.3Å; P197-V405 HydrophobicContact CG-CG1 3.75Å; P197-V405 HydrophobicContact CG-CG2 4.48Å; P197-I411 HydrophobicContact CG-CG2 3.88Å; P197-Y414 HydrophobicContact CG-CE2 4.43Å; P197-L462 HydrophobicContact CB-CB 4.32Å; P197-L462 HydrophobicContact CG-CD2 4.29Å
198M98.3Very high98.4Very high47 Ų4752.4 Ų52.423%0.23227%0.272CS..EExtended strand (participates in β ladder)trans-147.5176.3169.667178.6-62.600108.2K186 Q202 E203K186-M198 HydrophobicContact CD-CG 4.31Å; K186-M198 HydrophobicContact CG-CG 3.8Å; K186-M198 PolarHBondContact N-O 3.29Å; K186-M198 PolarHBondContact O-N 2.98Å; M198-Q202 HydrophobicContact CE-CB 3.86Å; M198-E203 HydrophobicContact CE-CB 3.69Å; M198-E203 HydrophobicContact CE-CG 4.47Å
199T98.5Very high98.4Very high3 Ų355.8 Ų55.82%0.01829%0.287CS..EExtended strand (participates in β ladder)trans-97.5148.2170.280.30000111.6Q182 I184 G201 Q202 E203 M463Q182-T199 VanDerWaalsContact O-CB 3.24Å; Q182-T199 WeakPolarHBondContact O-CB 3.4Å; Q182-T199 WeakPolarHBondContact O-CG2 3.46Å; Q182-T199 PolarHBondContact O-OG1 3.05Å; I184-T199 CarbonylContact O-C 3.54Å; I184-T199 WeakPolarHBondContact O-CA 3.5Å; I184-T199 WeakPolarHBondContact O-CB 3.48Å; T199-G201 PolarHBondContact O-N 2.94Å; T199-Q202 WeakPolarHBondContact O-CB 3.09Å; T199-Q202 PolarHBondContact O-N 3.14Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.29Å; T199-Q202 PolarHBondContact OG1-N 3.27Å; T199-E203 PolarHBondContact O-N 3.05Å; T199-M463 HydrophobicContact CG2-CB 3.82Å; T199-M463 HydrophobicContact CG2-CE 4.07Å; T199-M463 HydrophobicContact CG2-CG 3.79Å
200L98.6Very high98.3Very high0 Ų054.9 Ų54.90%029%0.287CS..Hα-helixtrans-60.6-32.3172.9-174.968.7000110.3F181 I184 K186 E203 F204 I312 A396F181-L200 HydrophobicContact CB-CB 3.96Å; F181-L200 HydrophobicContact CB-CD2 3.97Å; F181-L200 HydrophobicContact CB-CG 3.94Å; F181-L200 HydrophobicContact CD1-CD2 4.33Å; F181-L200 HydrophobicContact CD2-CD2 3.62Å; F181-L200 HydrophobicContact CD2-CG 3.85Å; F181-L200 HydrophobicContact CE2-CD2 4.15Å; F181-L200 HydrophobicContact CG-CD2 3.72Å; F181-L200 HydrophobicContact CG-CG 4.1Å; I184-L200 HydrophobicContact CB-CB 4.13Å; I184-L200 HydrophobicContact CG2-CB 4.16Å; I184-L200 HydrophobicContact CG2-CD2 4.4Å; I184-L200 PolarHBondContact O-N 3.36Å; K186-L200 HydrophobicContact CD-CB 4.14Å; K186-L200 HydrophobicContact CD-CD1 3.77Å; K186-L200 HydrophobicContact CG-CB 4.45Å; L200-E203 PolarHBondContact O-N 2.98Å; L200-F204 HydrophobicContact CD1-CD2 4.01Å; L200-F204 HydrophobicContact CD1-CE2 3.74Å; L200-F204 HydrophobicContact CG-CD2 4.07Å; L200-F204 HydrophobicContact CG-CE2 4.06Å; L200-F204 WeakPolarHBondContact O-CD2 3.48Å; L200-F204 PolarHBondContact O-N 2.65Å; L200-I312 HydrophobicContact CD1-CG2 4.13Å; L200-I312 HydrophobicContact CD2-CG2 3.95Å; L200-A396 HydrophobicContact CD2-CB 3.47Å; L200-A396 VanDerWaalsContact CD2-CB 3.47Å
201G98.7Very high98.4Very high4 Ų450.6 Ų50.64%0.04126%0.26CS..Hα-helixtrans-62-39.5171.200000114A178 F181 T199 E203 F204 R205A178-G201 WeakPolarHBondContact CB-O 3.33Å; A178-G201 WeakPolarHBondContact O-CA 3.2Å; F181-G201 WeakPolarHBondContact O-CA 3.41Å; F181-G201 PolarHBondContact O-N 3.4Å; T199-G201 PolarHBondContact O-N 2.94Å; G201-E203 VanDerWaalsContact C-N 3.32Å; G201-E203 PolarHBondContact O-N 2.65Å; G201-F204 PolarHBondContact O-N 3.07Å; G201-R205 WeakPolarHBondContact O-CB 3.39Å; G201-R205 PolarHBondContact O-N 3.47Å
202Q98.6Very high98.4Very high73 Ų7346.7 Ų46.734%0.34124%0.241SC..Hα-helixtrans-61.6-39.9173.4-73.9164.6-1400111.7M198 T199 A206 M463M198-Q202 HydrophobicContact CE-CB 3.86Å; T199-Q202 WeakPolarHBondContact O-CB 3.09Å; T199-Q202 PolarHBondContact O-N 3.14Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.29Å; T199-Q202 PolarHBondContact OG1-N 3.27Å; Q202-A206 PolarHBondContact O-N 3.3Å; Q202-M463 PolarHBondContact NE2-O 2.97Å; Q202-M463 VanDerWaalsContact NE2-O 3.12Å
203E98.8Very high98.4Very high30 Ų3044.7 Ų44.714%0.1423%0.228CC..Hα-helixtrans-66.3-47.3178.1-169174-137.300111.8K186 M198 T199 L200 G201 R205 A206 F207 L301K186-E203 WeakPolarHBondContact CD-OE2 3.24Å; K186-E203 WeakPolarHBondContact CE-OE2 3.5Å; K186-E203 VanDerWaalsContact NZ-CD 3.31Å; K186-E203 IonicContact NZ-OE1 2.69Å; K186-E203 PolarHBondContact NZ-OE1 3.15Å; K186-E203 IonicContact NZ-OE2 2.84Å; K186-E203 PolarHBondContact NZ-OE2 2.73Å; M198-E203 HydrophobicContact CE-CB 3.69Å; M198-E203 HydrophobicContact CE-CG 4.47Å; T199-E203 PolarHBondContact O-N 3.05Å; L200-E203 PolarHBondContact O-N 2.98Å; G201-E203 VanDerWaalsContact C-N 3.32Å; G201-E203 PolarHBondContact O-N 2.65Å; E203-R205 VanDerWaalsContact C-N 3.32Å; E203-R205 PolarHBondContact O-N 2.94Å; E203-A206 WeakPolarHBondContact O-CB 3.43Å; E203-A206 PolarHBondContact O-N 3.07Å; E203-A206 VanDerWaalsContact O-N 3.09Å; E203-F207 HydrophobicContact CG-CE1 4.38Å; E203-F207 HydrophobicContact CG-CE2 4.11Å; E203-F207 HydrophobicContact CG-CZ 3.78Å; E203-F207 PolarHBondContact O-N 2.97Å; E203-F207 VanDerWaalsContact O-N 3.15Å; E203-L301 WeakPolarHBondContact OE2-CD1 3.49Å
204F98.8Very high98.4Very high0 Ų038.3 Ų38.30%020%0.198CC..Hα-helixtrans-67.1-34.6177.9-85.9-111.8000112.3F174 K177 A178 F181 L200 G201 A206 F207 S208 L298 I394F174-F204 AromaticContact CD1-CD1 3.84Å; F174-F204 HydrophobicContact CD1-CD1 3.84Å; F174-F204 HydrophobicContact CD1-CE1 4.27Å; F174-F204 HydrophobicContact CE1-CD1 4.38Å; F174-F204 HydrophobicContact CE1-CE1 4.4Å; K177-F204 HydrophobicContact CB-CD1 3.51Å; K177-F204 HydrophobicContact CB-CE1 3.99Å; K177-F204 HydrophobicContact CB-CG 4.35Å; K177-F204 HydrophobicContact CG-CD1 4.4Å; K177-F204 HydrophobicContact CG-CE1 4.46Å; A178-F204 HydrophobicContact CB-CB 4Å; F181-F204 HydrophobicContact CD2-CD1 4.32Å; F181-F204 HydrophobicContact CD2-CD2 4.11Å; F181-F204 HydrophobicContact CD2-CE1 4.39Å; F181-F204 HydrophobicContact CD2-CE2 4.2Å; F181-F204 HydrophobicContact CD2-CG 4.18Å; F181-F204 HydrophobicContact CD2-CZ 4.34Å; F181-F204 HydrophobicContact CE2-CD1 4.33Å; F181-F204 HydrophobicContact CE2-CE1 4.01Å; F181-F204 HydrophobicContact CE2-CE2 4.29Å; F181-F204 AromaticContact CE2-CZ 3.99Å; F181-F204 HydrophobicContact CE2-CZ 3.99Å; L200-F204 HydrophobicContact CD1-CD2 4.01Å; L200-F204 HydrophobicContact CD1-CE2 3.74Å; L200-F204 HydrophobicContact CG-CD2 4.07Å; L200-F204 HydrophobicContact CG-CE2 4.06Å; L200-F204 WeakPolarHBondContact O-CD2 3.48Å; L200-F204 PolarHBondContact O-N 2.65Å; G201-F204 PolarHBondContact O-N 3.07Å; F204-A206 VanDerWaalsContact C-N 3.3Å; F204-A206 PolarHBondContact O-N 3.18Å; F204-F207 HydrophobicContact CD2-CD2 4.49Å; F204-F207 HydrophobicContact CD2-CE2 4.31Å; F204-F207 HydrophobicContact CE2-CE2 4.38Å; F204-F207 HydrophobicContact CG-CD2 4.36Å; F204-F207 PolarHBondContact O-N 3.48Å; F204-S208 PolarHBondContact O-N 3.44Å; F204-S208 VanDerWaalsContact O-N 3.14Å; F204-L298 HydrophobicContact CZ-CD2 4.04Å; F204-I394 HydrophobicContact CE1-CD1 3.93Å; F204-I394 HydrophobicContact CE1-CG2 4.4Å; F204-I394 HydrophobicContact CZ-CD1 4.08Å; F204-I394 HydrophobicContact CZ-CG2 4.1Å
205R98.8Very high98.5Very high97 Ų9734.7 Ų34.737%0.36618%0.179SC..Hα-helixtrans-59.5-42.9170.2176.762.768.8158.12.9111E175 A178 G201 E203 F207 S208 I209E175-R205 IonicContact OE1-CZ 2.65Å; E175-R205 IonicContact OE1-NE 2.65Å; E175-R205 IonicContact OE1-NH1 3.69Å; E175-R205 PolarHBondContact OE1-NH1 3.35Å; E175-R205 IonicContact OE1-NH2 3.54Å; E175-R205 PolarHBondContact OE1-NH2 3.39Å; E175-R205 IonicContact OE2-CZ 2.73Å; E175-R205 IonicContact OE2-NE 2.57Å; E175-R205 PolarHBondContact OE2-NE 3Å; E175-R205 IonicContact OE2-NH1 3.09Å; E175-R205 PolarHBondContact OE2-NH1 3.26Å; E175-R205 IonicContact OE2-NH2 3.56Å; A178-R205 HydrophobicContact CB-CB 3.93Å; G201-R205 WeakPolarHBondContact O-CB 3.39Å; G201-R205 PolarHBondContact O-N 3.47Å; E203-R205 VanDerWaalsContact C-N 3.32Å; E203-R205 PolarHBondContact O-N 2.94Å; R205-F207 VanDerWaalsContact C-N 3.31Å; R205-F207 PolarHBondContact O-N 3.01Å; R205-S208 WeakPolarHBondContact O-CB 3.33Å; R205-S208 PolarHBondContact O-N 3.4Å; R205-I209 HydrophobicContact CG-CD1 3.92Å; R205-I209 WeakPolarHBondContact O-CG1 3.14Å; R205-I209 PolarHBondContact O-N 3.43Å
206A98.8Very high98.5Very high46 Ų4640 Ų4038%0.3820%0.198SC..Hα-helixtrans-62.5-37.9178.400000111.8Q202 E203 F204 I209 L210Q202-A206 PolarHBondContact O-N 3.3Å; E203-A206 WeakPolarHBondContact O-CB 3.43Å; E203-A206 PolarHBondContact O-N 3.07Å; E203-A206 VanDerWaalsContact O-N 3.09Å; F204-A206 VanDerWaalsContact C-N 3.3Å; F204-A206 PolarHBondContact O-N 3.18Å; A206-I209 PolarHBondContact O-N 3.06Å; A206-L210 WeakPolarHBondContact O-CG 3.48Å; A206-L210 PolarHBondContact O-N 3.42Å
207F98.8Very high98.5Very high3 Ų339 Ų391%0.01319%0.19CC..Hα-helixtrans-61.8-44.7173-57.5-30.6000112.6F174 E203 F204 R205 I209 L210 L211 I294 D297F174-F207 HydrophobicContact CD1-CB 3.8Å; F174-F207 AromaticContact CD1-CD2 3.93Å; F174-F207 HydrophobicContact CD1-CD2 3.93Å; F174-F207 HydrophobicContact CD1-CG 4.37Å; F174-F207 HydrophobicContact CD2-CB 4.46Å; F174-F207 HydrophobicContact CE1-CB 4.03Å; F174-F207 AromaticContact CE1-CD2 3.76Å; F174-F207 HydrophobicContact CE1-CD2 3.76Å; F174-F207 HydrophobicContact CE1-CG 4.29Å; F174-F207 HydrophobicContact CG-CB 4.04Å; F174-F207 HydrophobicContact CZ-CB 4.45Å; E203-F207 HydrophobicContact CG-CE1 4.38Å; E203-F207 HydrophobicContact CG-CE2 4.11Å; E203-F207 HydrophobicContact CG-CZ 3.78Å; E203-F207 PolarHBondContact O-N 2.97Å; E203-F207 VanDerWaalsContact O-N 3.15Å; F204-F207 HydrophobicContact CD2-CD2 4.49Å; F204-F207 HydrophobicContact CD2-CE2 4.31Å; F204-F207 HydrophobicContact CE2-CE2 4.38Å; F204-F207 HydrophobicContact CG-CD2 4.36Å; F204-F207 PolarHBondContact O-N 3.48Å; R205-F207 VanDerWaalsContact C-N 3.31Å; R205-F207 PolarHBondContact O-N 3.01Å; F207-I209 VanDerWaalsContact C-N 3.34Å; F207-I209 PolarHBondContact O-N 3.45Å; F207-L210 HydrophobicContact CD1-CD1 4.47Å; F207-L210 PolarHBondContact O-N 3.21Å; F207-L211 PolarHBondContact O-N 3.09Å; F207-I294 HydrophobicContact CB-CD1 4.08Å; F207-I294 HydrophobicContact CB-CG1 4.25Å; F207-I294 HydrophobicContact CB-CG2 4.44Å; F207-I294 HydrophobicContact CD1-CB 4.48Å; F207-I294 HydrophobicContact CD1-CD1 4.39Å; F207-I294 HydrophobicContact CD1-CG1 3.7Å; F207-I294 HydrophobicContact CD1-CG2 4.34Å; F207-I294 HydrophobicContact CD2-CG2 4.24Å; F207-I294 HydrophobicContact CE1-CG1 4.28Å; F207-I294 HydrophobicContact CG-CD1 4.47Å; F207-I294 HydrophobicContact CG-CG1 4.08Å; F207-I294 HydrophobicContact CG-CG2 4.1Å; F207-D297 WeakPolarHBondContact CE1-OD2 3.38Å; F207-D297 HydrophobicContact CZ-CB 3.99Å
208S98.7Very high98.6Very high6 Ų638.7 Ų38.74%0.04219%0.188CC..Hα-helixtrans-57.4-45.5173.3169.10000111.6R171 E175 F204 R205 L210 L211 K212R171-S208 WeakPolarHBondContact CG-O 3.39Å; R171-S208 WeakPolarHBondContact CG-OG 3.47Å; E175-S208 PolarHBondContact OE2-OG 3.44Å; F204-S208 PolarHBondContact O-N 3.44Å; F204-S208 VanDerWaalsContact O-N 3.14Å; R205-S208 WeakPolarHBondContact O-CB 3.33Å; R205-S208 PolarHBondContact O-N 3.4Å; S208-L210 PolarHBondContact O-N 3.15Å; S208-L211 PolarHBondContact O-N 3.07Å; S208-K212 PolarHBondContact O-N 3.29Å
209I98.6Very high98.6Very high82 Ų8241 Ų4142%0.42120%0.199SC..Hα-helixtrans-64.4-42.3178.5-67.1169.1000111.4R205 A206 F207 L211 K212 E213R205-I209 HydrophobicContact CG-CD1 3.92Å; R205-I209 WeakPolarHBondContact O-CG1 3.14Å; R205-I209 PolarHBondContact O-N 3.43Å; A206-I209 PolarHBondContact O-N 3.06Å; F207-I209 VanDerWaalsContact C-N 3.34Å; F207-I209 PolarHBondContact O-N 3.45Å; I209-L211 VanDerWaalsContact C-N 3.27Å; I209-L211 PolarHBondContact O-N 2.84Å; I209-K212 WeakPolarHBondContact O-CB 3.42Å; I209-K212 PolarHBondContact O-N 3.12Å; I209-K212 VanDerWaalsContact O-N 3.12Å; I209-E213 PolarHBondContact O-N 3.41Å; I209-E213 VanDerWaalsContact O-N 3.07Å
210L98Very high98.6Very high46 Ų4649.9 Ų49.924%0.24123%0.232CC..Hα-helixtrans-55.4-43.6177.1-79.4171.5000111.7A206 F207 S208 E214 K290 I294A206-L210 WeakPolarHBondContact O-CG 3.48Å; A206-L210 PolarHBondContact O-N 3.42Å; F207-L210 HydrophobicContact CD1-CD1 4.47Å; F207-L210 PolarHBondContact O-N 3.21Å; S208-L210 PolarHBondContact O-N 3.15Å; L210-E214 WeakPolarHBondContact O-CG 3.34Å; L210-K290 HydrophobicContact CB-CD 4.37Å; L210-K290 HydrophobicContact CD2-CD 3.98Å; L210-K290 HydrophobicContact CD2-CG 4.39Å; L210-K290 PolarHBondContact O-NZ 3.47Å; L210-I294 HydrophobicContact CD1-CG1 4.47Å
211L98.8Very high98.6Very high0 Ų050.4 Ų50.40%024%0.235CC..Hα-helixtrans-70.4-38.1177.5-64.9175.4000112.3I167 L170 R171 F174 F207 S208 I209 E213 E214 V215 L287 M291 I294I167-L211 HydrophobicContact CG2-CB 3.98Å; I167-L211 HydrophobicContact CG2-CD2 4.44Å; L170-L211 HydrophobicContact CB-CD1 4.42Å; L170-L211 HydrophobicContact CD2-CD1 3.76Å; L170-L211 HydrophobicContact CG-CD1 3.78Å; R171-L211 HydrophobicContact CB-CB 4.29Å; R171-L211 HydrophobicContact CB-CD1 4.41Å; F174-L211 HydrophobicContact CD2-CD1 3.77Å; F174-L211 HydrophobicContact CE2-CD1 3.93Å; F207-L211 PolarHBondContact O-N 3.09Å; S208-L211 PolarHBondContact O-N 3.07Å; I209-L211 VanDerWaalsContact C-N 3.27Å; I209-L211 PolarHBondContact O-N 2.84Å; L211-E213 VanDerWaalsContact C-N 3.26Å; L211-E213 PolarHBondContact O-N 3.15Å; L211-E214 PolarHBondContact O-N 2.91Å; L211-V215 PolarHBondContact O-N 3.27Å; L211-V215 VanDerWaalsContact O-N 3.11Å; L211-L287 HydrophobicContact CD2-CD1 3.98Å; L211-M291 HydrophobicContact CD2-CG 4Å; L211-I294 HydrophobicContact CD2-CD1 4.32Å; L211-I294 HydrophobicContact CG-CD1 4.3Å
212K98.4Very high98.6Very high104 Ų10450.4 Ų50.445%0.45224%0.235SC..Hα-helixtrans-59.3-37176.1-174.6177.5-179.7177.10112.4S208 I209 E214S208-K212 PolarHBondContact O-N 3.29Å; I209-K212 WeakPolarHBondContact O-CB 3.42Å; I209-K212 PolarHBondContact O-N 3.12Å; I209-K212 VanDerWaalsContact O-N 3.12Å; K212-E214 VanDerWaalsContact C-N 3.33Å
213E98.6Very high98.5Very high86 Ų8652.8 Ų52.840%0.40225%0.246SC..Hα-helixtrans-66.2-36.8174.9-68.3179.5160.400112.3I209 L211 K216 N217 K290I209-E213 PolarHBondContact O-N 3.41Å; I209-E213 VanDerWaalsContact O-N 3.07Å; L211-E213 VanDerWaalsContact C-N 3.26Å; L211-E213 PolarHBondContact O-N 3.15Å; E213-K216 PolarHBondContact O-N 3.16Å; E213-N217 PolarHBondContact O-N 3.4Å; E213-K290 IonicContact OE2-NZ 2.81Å; E213-K290 PolarHBondContact OE2-NZ 2.93Å
214E98.6Very high98.5Very high0 Ų055.1 Ų55.10%026%0.259CS..Hα-helixtrans-71.7-32.1-179.8-59.2-50.8112.700112.2L210 L211 K212 K216 N217 I218 R286 L287 K290L210-E214 WeakPolarHBondContact O-CG 3.34Å; L211-E214 PolarHBondContact O-N 2.91Å; K212-E214 VanDerWaalsContact C-N 3.33Å; E214-K216 VanDerWaalsContact C-N 3.32Å; E214-K216 PolarHBondContact O-N 2.84Å; E214-N217 PolarHBondContact O-N 3.24Å; E214-I218 WeakPolarHBondContact O-CB 3.37Å; E214-I218 WeakPolarHBondContact O-CG1 3.45Å; E214-I218 PolarHBondContact O-N 3.29Å; E214-R286 IonicContact OE1-CZ 2.77Å; E214-R286 IonicContact OE1-NE 3.26Å; E214-R286 PolarHBondContact OE1-NE 2.93Å; E214-R286 IonicContact OE1-NH2 3.97Å; E214-R286 WeakPolarHBondContact OE2-CB 3.34Å; E214-R286 VanDerWaalsContact OE2-CD 3.3Å; E214-R286 WeakPolarHBondContact OE2-CD 3.4Å; E214-R286 WeakPolarHBondContact OE2-CG 3.25Å; E214-R286 IonicContact OE2-NE 3.08Å; E214-R286 PolarHBondContact OE2-NE 3.07Å; E214-L287 HydrophobicContact CB-CB 4.32Å; E214-L287 HydrophobicContact CB-CD1 3.85Å; E214-L287 HydrophobicContact CG-CB 4.31Å; E214-L287 HydrophobicContact CG-CD1 3.99Å; E214-L287 PolarHBondContact OE2-N 3.5Å; E214-K290 HydrophobicContact CG-CD 3.67Å; E214-K290 VanDerWaalsContact OE1-CD 3.32Å; E214-K290 WeakPolarHBondContact OE1-CD 3.43Å; E214-K290 WeakPolarHBondContact OE1-CE 3.24Å; E214-K290 IonicContact OE1-NZ 3.33Å; E214-K290 PolarHBondContact OE1-NZ 3.44Å
215V98.7Very high98.5Very high10 Ų1055.1 Ų55.16%0.06126%0.259CS..Hα-helixtrans-55.4-49.3169.6169.50000110.7V164 I167 L211 N217 I218 Q219V164-V215 HydrophobicContact CG1-CG1 3.78Å; V164-V215 HydrophobicContact CG1-CG2 4.5Å; I167-V215 HydrophobicContact CB-CG2 4.07Å; I167-V215 HydrophobicContact CG2-CG2 3.59Å; L211-V215 PolarHBondContact O-N 3.27Å; L211-V215 VanDerWaalsContact O-N 3.11Å; V215-N217 VanDerWaalsContact C-N 3.32Å; V215-N217 PolarHBondContact O-N 3.11Å; V215-I218 PolarHBondContact O-N 3.38Å; V215-Q219 HydrophobicContact CG1-CG 4.42Å; V215-Q219 WeakPolarHBondContact O-CB 3.17Å; V215-Q219 VanDerWaalsContact O-CG 3.24Å; V215-Q219 WeakPolarHBondContact O-CG 3.29Å; V215-Q219 PolarHBondContact O-N 2.92Å; V215-Q219 PolarHBondContact O-OE1 2.92Å
216K98.1Very high98.5Very high134 Ų13451 Ų5158%0.58324%0.244SC*.Hα-helixtrans-61.8-41.8178.1-62.6177.8179.4-178.30111.8E213 E214 R220E213-K216 PolarHBondContact O-N 3.16Å; E214-K216 VanDerWaalsContact C-N 3.32Å; E214-K216 PolarHBondContact O-N 2.84Å; K216-R220 WeakPolarHBondContact O-CB 3.41Å; K216-R220 PolarHBondContact O-N 3.01Å; K216-R220 VanDerWaalsContact O-N 3.07Å
217N98.4Very high98.5Very high40 Ų4052.1 Ų52.121%0.21424%0.241CC..Hα-helixtrans-64.6-48.8-179.5-171.255.7000111.5E213 E214 V215 R220 T221 A283E213-N217 PolarHBondContact O-N 3.4Å; E214-N217 PolarHBondContact O-N 3.24Å; V215-N217 VanDerWaalsContact C-N 3.32Å; V215-N217 PolarHBondContact O-N 3.11Å; N217-R220 PolarHBondContact O-N 3.06Å; N217-T221 PolarHBondContact O-N 2.9Å; N217-T221 PolarHBondContact O-OG1 2.88Å; N217-T221 VanDerWaalsContact O-OG1 3.12Å; N217-A283 WeakPolarHBondContact ND2-CA 3.42Å; N217-A283 WeakPolarHBondContact ND2-CB 3.4Å
218I98.8Very high98.5Very high1 Ų152 Ų521%0.00524%0.241CC..Hα-helixtrans-62.6-46.6179.1-70.4167.7000110.5L160 L163 V164 I167 E214 V215 R220 T221 A222 A283 L284 L287L160-I218 HydrophobicContact CB-CG2 4.49Å; L160-I218 HydrophobicContact CD2-CG2 4.09Å; L163-I218 HydrophobicContact CD2-CD1 4.39Å; V164-I218 HydrophobicContact CG2-CB 4.44Å; V164-I218 HydrophobicContact CG2-CG2 3.89Å; I167-I218 HydrophobicContact CD1-CD1 3.67Å; E214-I218 WeakPolarHBondContact O-CB 3.37Å; E214-I218 WeakPolarHBondContact O-CG1 3.45Å; E214-I218 PolarHBondContact O-N 3.29Å; V215-I218 PolarHBondContact O-N 3.38Å; I218-R220 PolarHBondContact O-N 3.43Å; I218-T221 PolarHBondContact O-N 3.32Å; I218-T221 PolarHBondContact O-OG1 2.77Å; I218-A222 WeakPolarHBondContact O-CB 3.42Å; I218-A222 PolarHBondContact O-N 3.18Å; I218-A283 HydrophobicContact CG1-CB 4.15Å; I218-L284 HydrophobicContact CD1-CD2 4.28Å; I218-L287 HydrophobicContact CD1-CB 4.47Å; I218-L287 HydrophobicContact CD1-CD2 3.88Å
219Q98.3Very high98.5Very high96 Ų9652 Ų5245%0.44924%0.24SC..Hα-helixtrans-57.6-49.3178.2-75175.8-41.200111.5V164 V215 T221 A222 E223V164-Q219 HydrophobicContact CG2-CG 4.19Å; V215-Q219 HydrophobicContact CG1-CG 4.42Å; V215-Q219 WeakPolarHBondContact O-CB 3.17Å; V215-Q219 VanDerWaalsContact O-CG 3.24Å; V215-Q219 WeakPolarHBondContact O-CG 3.29Å; V215-Q219 PolarHBondContact O-N 2.92Å; V215-Q219 PolarHBondContact O-OE1 2.92Å; Q219-T221 VanDerWaalsContact C-N 3.34Å; Q219-T221 PolarHBondContact O-N 3.17Å; Q219-A222 WeakPolarHBondContact O-CB 3.46Å; Q219-A222 PolarHBondContact O-N 3.33Å; Q219-A222 VanDerWaalsContact O-N 3.15Å; Q219-E223 PolarHBondContact O-N 3.32Å; Q219-E223 VanDerWaalsContact O-N 3.12Å
220R98.1Very high98.5Very high189 Ų18948.1 Ų48.171%0.71322%0.22SC*.Hα-helixtrans-58.9-43.3177.7-178.9-179175.9-174.7-0.9112.4K216 N217 I218K216-R220 WeakPolarHBondContact O-CB 3.41Å; K216-R220 PolarHBondContact O-N 3.01Å; K216-R220 VanDerWaalsContact O-N 3.07Å; N217-R220 PolarHBondContact O-N 3.06Å; I218-R220 PolarHBondContact O-N 3.43Å
221T98.5Very high98.5Very high11 Ų1146 Ų467%0.06721%0.209CC..Hα-helixtrans-73.2-30.8178.152.20000112.6N217 I218 Q219 E223 L224 V280 A283N217-T221 PolarHBondContact O-N 2.9Å; N217-T221 PolarHBondContact O-OG1 2.88Å; N217-T221 VanDerWaalsContact O-OG1 3.12Å; I218-T221 PolarHBondContact O-N 3.32Å; I218-T221 PolarHBondContact O-OG1 2.77Å; Q219-T221 VanDerWaalsContact C-N 3.34Å; Q219-T221 PolarHBondContact O-N 3.17Å; T221-E223 VanDerWaalsContact C-N 3.3Å; T221-E223 PolarHBondContact O-N 2.95Å; T221-L224 VanDerWaalsContact O-CB 3.29Å; T221-L224 WeakPolarHBondContact O-CB 3.34Å; T221-L224 WeakPolarHBondContact O-CG 3.49Å; T221-L224 PolarHBondContact O-N 3.5Å; T221-V280 VanDerWaalsContact O-CG2 3.26Å; T221-V280 WeakPolarHBondContact O-CG2 3.33Å; T221-A283 HydrophobicContact CG2-CB 4.08Å; T221-A283 WeakPolarHBondContact OG1-CB 3.34Å
222A98.5Very high98.5Very high5 Ų546 Ų464%0.04121%0.209CC..Hα-helixtrans-66.9-31.7178.500000111.9Y157 L160 I218 Q219 L224 L225Y157-A222 HydrophobicContact CD2-CB 4Å; Y157-A222 WeakPolarHBondContact CD2-O 3.26Å; Y157-A222 HydrophobicContact CE2-CB 4.05Å; L160-A222 HydrophobicContact CD1-CB 3.69Å; I218-A222 WeakPolarHBondContact O-CB 3.42Å; I218-A222 PolarHBondContact O-N 3.18Å; Q219-A222 WeakPolarHBondContact O-CB 3.46Å; Q219-A222 PolarHBondContact O-N 3.33Å; Q219-A222 VanDerWaalsContact O-N 3.15Å; A222-L224 PolarHBondContact O-N 2.91Å; A222-L225 VanDerWaalsContact O-CB 3.29Å; A222-L225 WeakPolarHBondContact O-CB 3.41Å; A222-L225 PolarHBondContact O-N 3.14Å
223E98.3Very high98.5Very high123 Ų12341.4 Ų41.458%0.57519%0.191SC*.Hα-helixtrans-55.3-32.2173.9-72.9168.6-170.800112.3Q219 T221 L225 L226Q219-E223 PolarHBondContact O-N 3.32Å; Q219-E223 VanDerWaalsContact O-N 3.12Å; T221-E223 VanDerWaalsContact C-N 3.3Å; T221-E223 PolarHBondContact O-N 2.95Å; E223-L225 PolarHBondContact O-N 2.94Å; E223-L226 WeakPolarHBondContact O-CB 3.4Å; E223-L226 PolarHBondContact O-N 3.35Å
224L98.4Very high98.4Very high78 Ų7839.5 Ų39.541%0.40819%0.189SC..G310 helixtrans-58.5-31176.6-59.6174.9000111.8R153 T221 A222 L226 A276 M279R153-L224 PolarHBondContact NH2-O 3.38Å; T221-L224 VanDerWaalsContact O-CB 3.29Å; T221-L224 WeakPolarHBondContact O-CB 3.34Å; T221-L224 WeakPolarHBondContact O-CG 3.49Å; T221-L224 PolarHBondContact O-N 3.5Å; A222-L224 PolarHBondContact O-N 2.91Å; L224-L226 PolarHBondContact O-N 3.1Å; L224-A276 HydrophobicContact CB-CB 3.97Å; L224-M279 HydrophobicContact CD1-CB 3.8Å; L224-M279 HydrophobicContact CD1-CG 4.22Å
225L98.7Very high98.4Very high0 Ų043.1 Ų43.10%021%0.208CC..G310 helixtrans-70.7-15.7-179.6-58.7172.5000113.5R153 V156 L160 A222 E223 E227 A276 Y277 V280R153-L225 HydrophobicContact CB-CB 4.25Å; R153-L225 WeakPolarHBondContact CB-O 3.26Å; R153-L225 HydrophobicContact CG-CD2 4.18Å; R153-L225 PolarHBondContact NE-O 3.37Å; R153-L225 VanDerWaalsContact NE-O 3.12Å; V156-L225 HydrophobicContact CB-CD1 4.04Å; V156-L225 HydrophobicContact CG1-CD1 3.57Å; L160-L225 HydrophobicContact CD1-CD1 3.82Å; A222-L225 VanDerWaalsContact O-CB 3.29Å; A222-L225 WeakPolarHBondContact O-CB 3.41Å; A222-L225 PolarHBondContact O-N 3.14Å; E223-L225 PolarHBondContact O-N 2.94Å; L225-E227 VanDerWaalsContact C-N 3.34Å; L225-A276 HydrophobicContact CD2-CB 4.3Å; L225-Y277 HydrophobicContact CD2-CD1 3.99Å; L225-Y277 HydrophobicContact CD2-CE1 4.09Å; L225-V280 HydrophobicContact CD1-CG2 4.1Å; L225-V280 HydrophobicContact CD2-CG2 4.18Å; L225-V280 HydrophobicContact CG-CG2 4.01Å
226L98.6Very high98.4Very high11 Ų1142.9 Ų42.96%0.05821%0.208CC..G310 helixtrans-82.9-14.4-177.2-61.8178.3000113.1Y157 E223 L224 F259 P260 C261 V262Y157-L226 HydrophobicContact CD1-CD2 3.98Å; Y157-L226 HydrophobicContact CD2-CD1 4.49Å; Y157-L226 HydrophobicContact CD2-CD2 3.83Å; Y157-L226 HydrophobicContact CD2-CG 4.01Å; Y157-L226 HydrophobicContact CE1-CD2 3.98Å; Y157-L226 HydrophobicContact CE2-CD1 3.78Å; Y157-L226 HydrophobicContact CE2-CD2 3.87Å; Y157-L226 HydrophobicContact CE2-CG 3.8Å; Y157-L226 HydrophobicContact CG-CD2 3.9Å; E223-L226 WeakPolarHBondContact O-CB 3.4Å; E223-L226 PolarHBondContact O-N 3.35Å; L224-L226 PolarHBondContact O-N 3.1Å; L226-F259 HydrophobicContact CD2-CB 3.87Å; L226-P260 HydrophobicContact CD1-CG 3.79Å; L226-C261 CarbonylContact O-C 3.54Å; L226-C261 VanDerWaalsContact O-CA 3.29Å; L226-C261 WeakPolarHBondContact O-CA 3.26Å; L226-V262 PolarHBondContact O-N 3.12Å
227E98.5Very high98.4Very high69 Ų6940.5 Ų40.532%0.32221%0.205SC..EExtended strand (participates in β ladder)trans-75.6123.9163.2-170.4176.4126.600109.1R153 L225 V262 A264R153-E227 PolarHBondContact NE-O 3.44Å; R153-E227 PolarHBondContact NH2-O 2.93Å; L225-E227 VanDerWaalsContact C-N 3.34Å; E227-V262 CarbonylContact C-O 3.45Å; E227-V262 WeakPolarHBondContact CA-O 3.31Å; E227-V262 HydrophobicContact CB-CG2 4.21Å; E227-V262 HydrophobicContact CG-CG2 4.4Å; E227-A264 VanDerWaalsContact CG-CA 3.45Å; E227-A264 HydrophobicContact CG-CB 3.88Å; E227-A264 WeakPolarHBondContact OE1-CA 3.27Å; E227-A264 WeakPolarHBondContact OE1-CB 3.26Å
228V98.7Very high98.4Very high2 Ų239.3 Ų39.31%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-133.5150.3-173.8-61.50000112T150 V250 L253 V262 P263 A264T150-V228 HydrophobicContact CG2-CB 4.03Å; T150-V228 HydrophobicContact CG2-CG1 4.04Å; T150-V228 HydrophobicContact CG2-CG2 4.33Å; V228-V250 HydrophobicContact CG2-CG1 4.06Å; V228-V250 HydrophobicContact CG2-CG2 3.85Å; V228-L253 HydrophobicContact CG2-CD2 4.2Å; V228-V262 PolarHBondContact N-O 3.3Å; V228-P263 WeakPolarHBondContact O-CA 3.28Å; V228-A264 PolarHBondContact O-N 3.45Å
229N98.5Very high98.3Very high5 Ų544.4 Ų44.43%0.02723%0.228CC..  trans-9616.1-17875.1-28.8000113.6N145 D146 G231 A232 L267 A270 T271N145-N229 PolarHBondContact O-ND2 2.99Å; D146-N229 WeakPolarHBondContact CA-OD1 3.46Å; D146-N229 WeakPolarHBondContact CB-O 3.3Å; D146-N229 PolarHBondContact O-OD1 2.87Å; N229-G231 PolarHBondContact O-N 2.92Å; N229-G231 VanDerWaalsContact O-N 3.12Å; N229-A232 HydrophobicContact CB-CB 4.02Å; N229-A232 WeakPolarHBondContact O-CB 3.02Å; N229-A232 PolarHBondContact O-N 3.18Å; N229-L267 HydrophobicContact CB-CD2 4.08Å; N229-A270 HydrophobicContact CB-CB 3.86Å; N229-T271 PolarHBondContact ND2-OG1 3.03Å
230L98.6Very high98.3Very high0 Ų046.5 Ų46.50%024%0.243CC..THydrogen-bonded Turntrans-55.5119.5-176.9-173.361.6000111.9V54 Q142 T150 S246 A249 V250V54-L230 HydrophobicContact CG1-CD1 3.92Å; V54-L230 HydrophobicContact CG1-CD2 4.34Å; Q142-L230 HydrophobicContact CG-CD1 4.4Å; T150-L230 HydrophobicContact CG2-CB 4.29Å; L230-S246 WeakPolarHBondContact O-CB 3.3Å; L230-S246 PolarHBondContact O-OG 2.68Å; L230-A249 HydrophobicContact CD2-CB 3.78Å; L230-A249 HydrophobicContact CG-CB 4.13Å; L230-V250 HydrophobicContact CB-CG2 4.14Å
231G98.2Very high98.2Very high1 Ų139 Ų391%0.0122%0.218CC..THydrogen-bonded Turntrans102.5-3.5-17100000114.3D146 N229 T233 G238D146-G231 WeakPolarHBondContact OD2-CA 3.2Å; D146-G231 PolarHBondContact OD2-N 3.4Å; N229-G231 PolarHBondContact O-N 2.92Å; N229-G231 VanDerWaalsContact O-N 3.12Å; G231-T233 PolarHBondContact O-N 3Å; G231-G238 WeakPolarHBondContact O-CA 3.29Å
232A98.4Very high98.1Very high0 Ų040.4 Ų40.40%023%0.227CC..  trans-61.9-30.6169.400000112.6D146 N229 G236 T237 G238 L267 T271D146-A232 HydrophobicContact CB-CB 3.92Å; D146-A232 PolarHBondContact OD2-N 3.3Å; N229-A232 HydrophobicContact CB-CB 4.02Å; N229-A232 WeakPolarHBondContact O-CB 3.02Å; N229-A232 PolarHBondContact O-N 3.18Å; A232-G236 CarbonylContact O-C 3.58Å; A232-G236 VanDerWaalsContact O-CA 3.24Å; A232-G236 WeakPolarHBondContact O-CA 3.41Å; A232-G236 PolarHBondContact O-N 2.93Å; A232-T237 PolarHBondContact O-N 2.76Å; A232-G238 PolarHBondContact O-N 2.89Å; A232-G238 VanDerWaalsContact O-N 3.14Å; A232-L267 HydrophobicContact CB-CB 3.95Å; A232-L267 HydrophobicContact CB-CD1 4.49Å; A232-L267 HydrophobicContact CB-CD2 4.27Å; A232-L267 HydrophobicContact CB-CG 4.46Å; A232-T271 WeakPolarHBondContact CB-OG1 3.48Å
233T98.1Very high98Very high9 Ų949.2 Ų49.26%0.05526%0.264CS..THydrogen-bonded Turntrans57.4-130.5-173.370.30000113.2S143 D146 G231 L239 T241S143-T233 WeakPolarHBondContact CB-O 3.28Å; S143-T233 PolarHBondContact OG-O 3.42Å; D146-T233 WeakPolarHBondContact OD2-CA 3.47Å; D146-T233 PolarHBondContact OD2-N 2.98Å; G231-T233 PolarHBondContact O-N 3Å; T233-L239 VanDerWaalsContact CG2-O 3.26Å; T233-L239 WeakPolarHBondContact CG2-O 3.47Å; T233-L239 PolarHBondContact OG1-N 3.47Å; T233-L239 PolarHBondContact OG1-O 3.16Å; T233-T241 HydrophobicContact CG2-CG2 3.29Å
234A98Very high98Very high45 Ų4548.6 Ų48.637%0.37226%0.261SS..THydrogen-bonded Turntrans-66.2-44.5-168.300000113N145N145-A234 PolarHBondContact ND2-O 3.41Å
235I98.5Very high98Very high76 Ų7644.9 Ų44.939%0.3924%0.242SC..THydrogen-bonded Turntrans-145.520.3-169.961.8164.3000113.2T237 Q360I235-T237 HydrophobicContact CD1-CG2 4.14Å; I235-T237 HydrophobicContact CG1-CG2 4.06Å; I235-Q360 HydrophobicContact CB-CB 4.01Å; I235-Q360 HydrophobicContact CB-CG 3.96Å; I235-Q360 HydrophobicContact CG2-CB 3.8Å; I235-Q360 HydrophobicContact CG2-CG 4.07Å
236G98.2Very high97.9Very high6 Ų645.6 Ų45.66%0.06225%0.247CC..SBendtrans91.5-5.4-179.800000116.9A232 G238 L267 T271A232-G236 CarbonylContact O-C 3.58Å; A232-G236 VanDerWaalsContact O-CA 3.24Å; A232-G236 WeakPolarHBondContact O-CA 3.41Å; A232-G236 PolarHBondContact O-N 2.93Å; G236-G238 VanDerWaalsContact C-N 3.31Å; G236-G238 PolarHBondContact O-N 3.44Å; G236-L267 VanDerWaalsContact CA-C 3.49Å; G236-L267 WeakPolarHBondContact CA-O 3.45Å; G236-L267 VanDerWaalsContact O-CB 3.25Å; G236-L267 WeakPolarHBondContact O-CB 3.45Å; G236-T271 PolarHBondContact N-OG1 3.33Å
237T98.1Very high97.9Very high84 Ų8448.8 Ų48.852%0.51527%0.268SS..SBendtrans-80.7-9.1-17856.10000114.4A232 I235 L239 I268A232-T237 PolarHBondContact O-N 2.76Å; I235-T237 HydrophobicContact CD1-CG2 4.14Å; I235-T237 HydrophobicContact CG1-CG2 4.06Å; T237-L239 VanDerWaalsContact C-N 3.25Å; T237-L239 PolarHBondContact O-N 3.02Å; T237-I268 HydrophobicContact CG2-CD1 4.42Å
238G97.5Very high97.9Very high15 Ų1546.5 Ų46.516%0.15526%0.259CS..  trans68.620.1-174.900000114.6G231 A232 G236 T241G231-G238 WeakPolarHBondContact O-CA 3.29Å; A232-G238 PolarHBondContact O-N 2.89Å; A232-G238 VanDerWaalsContact O-N 3.14Å; G236-G238 VanDerWaalsContact C-N 3.31Å; G236-G238 PolarHBondContact O-N 3.44Å; G238-T241 PolarHBondContact O-N 3.44Å; G238-T241 PolarHBondContact O-OG1 3.38Å
239L97.9Very high97.9Very high107 Ų10746.4 Ų46.456%0.5626%0.258SS*.THydrogen-bonded Turntrans-54.2140.1178.1-177.666.1000111.3T233 T237 T241T233-L239 VanDerWaalsContact CG2-O 3.26Å; T233-L239 WeakPolarHBondContact CG2-O 3.47Å; T233-L239 PolarHBondContact OG1-N 3.47Å; T233-L239 PolarHBondContact OG1-O 3.16Å; T237-L239 VanDerWaalsContact C-N 3.25Å; T237-L239 PolarHBondContact O-N 3.02Å; L239-T241 VanDerWaalsContact C-N 3.28Å; L239-T241 PolarHBondContact O-N 2.89Å
240N97Very high97.9Very high141 Ų14146.3 Ų46.375%0.75426%0.258SS*.THydrogen-bonded Turntrans64.524.2-178.2-58.5-24.9000115
241T97Very high97.9Very high31 Ų3152.2 Ų52.219%0.1928%0.283CS..SBendtrans-126.6144.3172.471.10000111.7C141 T233 G238 L239 Y245C141-T241 HydrophobicContact CB-CG2 3.72Å; C141-T241 WeakPolarHBondContact O-CG2 3.48Å; T233-T241 HydrophobicContact CG2-CG2 3.29Å; G238-T241 PolarHBondContact O-N 3.44Å; G238-T241 PolarHBondContact O-OG1 3.38Å; L239-T241 VanDerWaalsContact C-N 3.28Å; L239-T241 PolarHBondContact O-N 2.89Å; T241-Y245 HydrophobicContact CG2-CD1 4.05Å
242P97.2Very high97.9Very high40 Ų4053.3 Ų53.326%0.2629%0.288SS..  trans-58.8147.9163.8-20.230.5000110.6L65 T67 E244 Y245L65-P242 HydrophobicContact CD1-CB 4.36Å; L65-P242 HydrophobicContact CD1-CG 4.4Å; T67-P242 HydrophobicContact CG2-CG 3.53Å; P242-E244 PolarHBondContact O-N 3.45Å; P242-E244 VanDerWaalsContact O-N 3.11Å; P242-Y245 WeakPolarHBondContact O-CB 3.34Å; P242-Y245 PolarHBondContact O-N 3.5Å
243K95.6Very high98Very high190 Ų19053.3 Ų53.383%0.82629%0.288SS*.THydrogen-bonded Turntrans-57.4-31.3-179.7-176.1-179.4176.8-1770112.4Y245K243-Y245 VanDerWaalsContact C-N 3.29Å
244E97.6Very high98Very high110 Ų11054.1 Ų54.151%0.51430%0.295SS..THydrogen-bonded Turntrans-78.6-12.1-179.4-56.776.1-166.800113L65 P242 P247 L248L65-E244 HydrophobicContact CD1-CB 4.35Å; L65-E244 HydrophobicContact CD2-CB 3.8Å; P242-E244 PolarHBondContact O-N 3.45Å; P242-E244 VanDerWaalsContact O-N 3.11Å; E244-P247 WeakPolarHBondContact O-CG 3.47Å; E244-L248 VanDerWaalsContact O-CB 3.24Å; E244-L248 WeakPolarHBondContact O-CB 3.44Å; E244-L248 PolarHBondContact O-N 3.2Å
245Y98.5Very high98Very high0 Ų056.7 Ų56.70%030%0.299CS..Hα-helixtrans-63.1-55.3-171.6175.5-97.6000112.8A58 A61 L65 C141 Q142 T241 P242 K243 L248 A249A58-Y245 WeakPolarHBondContact CB-OH 3.17Å; A61-Y245 HydrophobicContact CB-CD2 4.35Å; A61-Y245 HydrophobicContact CB-CE2 4.21Å; L65-Y245 HydrophobicContact CD1-CD2 4.3Å; C141-Y245 HydrophobicContact CB-CD1 4.1Å; C141-Y245 HydrophobicContact CB-CD2 3.71Å; C141-Y245 HydrophobicContact CB-CE1 3.94Å; C141-Y245 HydrophobicContact CB-CE2 3.53Å; C141-Y245 HydrophobicContact CB-CG 4Å; C141-Y245 WeakPolarHBondContact O-CE1 3.27Å; Q142-Y245 VanDerWaalsContact CG-OH 3.32Å; Q142-Y245 WeakPolarHBondContact CG-OH 3.32Å; T241-Y245 HydrophobicContact CG2-CD1 4.05Å; P242-Y245 WeakPolarHBondContact O-CB 3.34Å; P242-Y245 PolarHBondContact O-N 3.5Å; K243-Y245 VanDerWaalsContact C-N 3.29Å; Y245-L248 PolarHBondContact O-N 2.85Å; Y245-A249 HydrophobicContact CD1-CB 4.45Å; Y245-A249 HydrophobicContact CE1-CB 4.05Å; Y245-A249 HydrophobicContact CE2-CB 4.12Å; Y245-A249 WeakPolarHBondContact O-CB 3.29Å; Y245-A249 PolarHBondContact O-N 3.27Å
246S97.8Very high98Very high16 Ų1654.5 Ų54.511%0.11229%0.289CS..Hα-helixtrans-56.4-55.8-175.8-179.70000113.1L230 L248 A249 V250L230-S246 WeakPolarHBondContact O-CB 3.3Å; L230-S246 PolarHBondContact O-OG 2.68Å; S246-L248 VanDerWaalsContact C-N 3.26Å; S246-L248 PolarHBondContact O-N 3.07Å; S246-A249 PolarHBondContact O-N 2.83Å; S246-V250 WeakPolarHBondContact O-CG2 3.22Å; S246-V250 PolarHBondContact O-N 3.03Å
247P97.8Very high98Very high77 Ų7755 Ų5550%0.529%0.292SS..Hα-helixtrans-62.4-34.1-179.623.8-33.7000112.5E244 K251E244-P247 WeakPolarHBondContact O-CG 3.47Å; P247-K251 WeakPolarHBondContact O-CB 3.4Å; P247-K251 PolarHBondContact O-N 2.74Å; P247-K251 VanDerWaalsContact O-N 3.1Å
248L98.5Very high98Very high22 Ų2254.2 Ų54.212%0.11530%0.3CS..Hα-helixtrans-71.4-45.3177-17661.2000112.1A61 E64 L65 E244 Y245 S246 V250 K251 K252A61-L248 HydrophobicContact CB-CB 4.45Å; A61-L248 HydrophobicContact CB-CD2 4.09Å; A61-L248 HydrophobicContact CB-CG 3.97Å; E64-L248 HydrophobicContact CB-CD2 4.01Å; E64-L248 HydrophobicContact CG-CD2 4.12Å; L65-L248 HydrophobicContact CD1-CD2 4.01Å; L65-L248 HydrophobicContact CD2-CD2 4.02Å; L65-L248 HydrophobicContact CG-CD2 3.7Å; E244-L248 VanDerWaalsContact O-CB 3.24Å; E244-L248 WeakPolarHBondContact O-CB 3.44Å; E244-L248 PolarHBondContact O-N 3.2Å; Y245-L248 PolarHBondContact O-N 2.85Å; S246-L248 VanDerWaalsContact C-N 3.26Å; S246-L248 PolarHBondContact O-N 3.07Å; L248-V250 VanDerWaalsContact C-N 3.34Å; L248-V250 PolarHBondContact O-N 3.34Å; L248-K251 WeakPolarHBondContact O-CB 3.47Å; L248-K251 PolarHBondContact O-N 3.07Å; L248-K252 WeakPolarHBondContact O-CG 3.17Å; L248-K252 PolarHBondContact O-N 3.4Å
249A98.7Very high98.1Very high0 Ų055.3 Ų55.30%030%0.3CS..Hα-helixtrans-62.2-41.9-179.900000111.1A61 L230 Y245 S246 K252 L253A61-A249 HydrophobicContact CB-CB 4Å; L230-A249 HydrophobicContact CD2-CB 3.78Å; L230-A249 HydrophobicContact CG-CB 4.13Å; Y245-A249 HydrophobicContact CD1-CB 4.45Å; Y245-A249 HydrophobicContact CE1-CB 4.05Å; Y245-A249 HydrophobicContact CE2-CB 4.12Å; Y245-A249 WeakPolarHBondContact O-CB 3.29Å; Y245-A249 PolarHBondContact O-N 3.27Å; S246-A249 PolarHBondContact O-N 2.83Å; A249-K252 PolarHBondContact O-N 3.28Å; A249-L253 WeakPolarHBondContact O-CB 3.47Å; A249-L253 PolarHBondContact O-N 3.4Å
250V98.8Very high98.1Very high3 Ų354.5 Ų54.52%0.01830%0.301CS..Hα-helixtrans-66.8-39.7175178.80000111.6V228 L230 S246 L248 K252 L253 A254 C261 P263V228-V250 HydrophobicContact CG2-CG1 4.06Å; V228-V250 HydrophobicContact CG2-CG2 3.85Å; L230-V250 HydrophobicContact CB-CG2 4.14Å; S246-V250 WeakPolarHBondContact O-CG2 3.22Å; S246-V250 PolarHBondContact O-N 3.03Å; L248-V250 VanDerWaalsContact C-N 3.34Å; L248-V250 PolarHBondContact O-N 3.34Å; V250-K252 PolarHBondContact O-N 3.29Å; V250-L253 WeakPolarHBondContact O-CB 3.27Å; V250-L253 PolarHBondContact O-N 3.08Å; V250-L253 VanDerWaalsContact O-N 3.16Å; V250-A254 PolarHBondContact O-N 3.3Å; V250-C261 HydrophobicContact CG1-CB 4.12Å; V250-P263 HydrophobicContact CG2-CB 4.28Å
251K98.7Very high98.2Very high124 Ų12448.3 Ų48.354%0.53927%0.269SS..Hα-helixtrans-59.3-45.9172.2180-176.7174.3-176.10111.7P247 L248 L253 A254 E255P247-K251 WeakPolarHBondContact O-CB 3.4Å; P247-K251 PolarHBondContact O-N 2.74Å; P247-K251 VanDerWaalsContact O-N 3.1Å; L248-K251 WeakPolarHBondContact O-CB 3.47Å; L248-K251 PolarHBondContact O-N 3.07Å; K251-L253 VanDerWaalsContact C-N 3.29Å; K251-L253 PolarHBondContact O-N 3.1Å; K251-A254 PolarHBondContact O-N 3.38Å; K251-E255 WeakPolarHBondContact CE-OE1 3.45Å; K251-E255 WeakPolarHBondContact O-CG 3.29Å; K251-E255 PolarHBondContact O-N 2.88Å
252K98.8Very high98.2Very high24 Ų2450.3 Ų50.310%0.10428%0.281CS..Hα-helixtrans-64.3-34.4175.4-63.5-46.8-173.3-176.80111.9A57 M60 A61 E64 L248 A249 V250 E255 V256A57-K252 HydrophobicContact CB-CB 4.02Å; M60-K252 HydrophobicContact CB-CB 4.24Å; M60-K252 HydrophobicContact CB-CD 4.26Å; M60-K252 HydrophobicContact CB-CG 3.9Å; M60-K252 HydrophobicContact CE-CD 4.02Å; A61-K252 HydrophobicContact CB-CG 4.4Å; E64-K252 WeakPolarHBondContact OE2-CE 3.43Å; E64-K252 IonicContact OE2-NZ 2.91Å; E64-K252 PolarHBondContact OE2-NZ 3.43Å; L248-K252 WeakPolarHBondContact O-CG 3.17Å; L248-K252 PolarHBondContact O-N 3.4Å; A249-K252 PolarHBondContact O-N 3.28Å; V250-K252 PolarHBondContact O-N 3.29Å; K252-E255 VanDerWaalsContact CD-OE2 3.29Å; K252-E255 WeakPolarHBondContact CD-OE2 3.46Å; K252-E255 IonicContact NZ-OE1 3.9Å; K252-E255 IonicContact NZ-OE2 3.64Å; K252-E255 WeakPolarHBondContact O-CB 3.16Å; K252-E255 PolarHBondContact O-N 2.66Å; K252-V256 WeakPolarHBondContact O-CB 3.32Å; K252-V256 VanDerWaalsContact O-CG2 3.29Å; K252-V256 WeakPolarHBondContact O-CG2 3.38Å; K252-V256 PolarHBondContact O-N 2.95Å
253L98.9Very high98.2Very high0 Ų051.4 Ų51.40%029%0.288CS..Hα-helixtrans-63.9-43.3175-174.868.4000111V54 A57 T150 I154 V228 A249 V250 K251 E255 V256 T257 C261V54-L253 HydrophobicContact CG2-CD1 4.01Å; A57-L253 HydrophobicContact CB-CB 3.88Å; A57-L253 HydrophobicContact CB-CD1 4.07Å; T150-L253 HydrophobicContact CG2-CD2 3.42Å; T150-L253 VanDerWaalsContact CG2-CD2 3.42Å; I154-L253 HydrophobicContact CD1-CD2 4.27Å; I154-L253 HydrophobicContact CG1-CD2 4.31Å; V228-L253 HydrophobicContact CG2-CD2 4.2Å; A249-L253 WeakPolarHBondContact O-CB 3.47Å; A249-L253 PolarHBondContact O-N 3.4Å; V250-L253 WeakPolarHBondContact O-CB 3.27Å; V250-L253 PolarHBondContact O-N 3.08Å; V250-L253 VanDerWaalsContact O-N 3.16Å; K251-L253 VanDerWaalsContact C-N 3.29Å; K251-L253 PolarHBondContact O-N 3.1Å; L253-E255 VanDerWaalsContact C-N 3.34Å; L253-E255 PolarHBondContact O-N 2.58Å; L253-V256 PolarHBondContact O-N 3.46Å; L253-T257 HydrophobicContact CD1-CG2 3.84Å; L253-T257 HydrophobicContact CG-CG2 4.11Å; L253-T257 WeakPolarHBondContact O-CB 3.48Å; L253-T257 VanDerWaalsContact O-CG2 3.24Å; L253-T257 WeakPolarHBondContact O-CG2 3.34Å; L253-T257 PolarHBondContact O-N 2.89Å; L253-T257 PolarHBondContact O-OG1 2.95Å; L253-C261 HydrophobicContact CD2-CB 4.35Å
254A98.7Very high98.3Very high26 Ų2642.8 Ų42.822%0.21525%0.253CS..Hα-helixtrans-61.4-41.4173.400000112V250 K251 G258 F259 C261V250-A254 PolarHBondContact O-N 3.3Å; K251-A254 PolarHBondContact O-N 3.38Å; A254-G258 WeakPolarHBondContact O-CA 3.34Å; A254-G258 PolarHBondContact O-N 3.49Å; A254-F259 VanDerWaalsContact CA-O 3.27Å; A254-F259 WeakPolarHBondContact CA-O 3.34Å; A254-F259 VanDerWaalsContact CB-O 3.27Å; A254-F259 WeakPolarHBondContact CB-O 3.43Å; A254-C261 HydrophobicContact CB-CB 4.34Å
255E98.6Very high98.3Very high98 Ų9846.8 Ų46.846%0.45827%0.271SS..Hα-helixtrans-61.4-43173.9-69.1170.2-16000112.3K251 K252 L253K251-E255 WeakPolarHBondContact CE-OE1 3.45Å; K251-E255 WeakPolarHBondContact O-CG 3.29Å; K251-E255 PolarHBondContact O-N 2.88Å; K252-E255 VanDerWaalsContact CD-OE2 3.29Å; K252-E255 WeakPolarHBondContact CD-OE2 3.46Å; K252-E255 IonicContact NZ-OE1 3.9Å; K252-E255 IonicContact NZ-OE2 3.64Å; K252-E255 WeakPolarHBondContact O-CB 3.16Å; K252-E255 PolarHBondContact O-N 2.66Å; L253-E255 VanDerWaalsContact C-N 3.34Å; L253-E255 PolarHBondContact O-N 2.58Å
256V98.7Very high98.2Very high30 Ų3050.8 Ų50.818%0.18229%0.293CS..Hα-helixtrans-73.2-41.2-177.5167.60000112.4M53 K56 M60 K252 L253M53-V256 HydrophobicContact CB-CG1 3.84Å; M53-V256 HydrophobicContact CG-CG1 3.86Å; K56-V256 HydrophobicContact CB-CG1 4.41Å; K56-V256 HydrophobicContact CB-CG2 4.42Å; K56-V256 HydrophobicContact CD-CG1 4.07Å; K56-V256 HydrophobicContact CD-CG2 4.01Å; K56-V256 HydrophobicContact CG-CG2 4.04Å; M60-V256 HydrophobicContact SD-CG2 3.69Å; K252-V256 WeakPolarHBondContact O-CB 3.32Å; K252-V256 VanDerWaalsContact O-CG2 3.29Å; K252-V256 WeakPolarHBondContact O-CG2 3.38Å; K252-V256 PolarHBondContact O-N 2.95Å; L253-V256 PolarHBondContact O-N 3.46Å
257T98.4Very high98.3Very high18 Ų1851.7 Ų51.711%0.1130%0.296CS..Hα-helixtrans-84.9-27.2-175.558.90000112.6M53 I154 L253 F259M53-T257 HydrophobicContact CB-CG2 4.2Å; M53-T257 HydrophobicContact CG-CG2 4.49Å; M53-T257 HydrophobicContact SD-CG2 3.83Å; I154-T257 HydrophobicContact CD1-CG2 4.18Å; I154-T257 HydrophobicContact CG1-CG2 4.39Å; I154-T257 HydrophobicContact CG2-CG2 3.83Å; L253-T257 HydrophobicContact CD1-CG2 3.84Å; L253-T257 HydrophobicContact CG-CG2 4.11Å; L253-T257 WeakPolarHBondContact O-CB 3.48Å; L253-T257 VanDerWaalsContact O-CG2 3.24Å; L253-T257 WeakPolarHBondContact O-CG2 3.34Å; L253-T257 PolarHBondContact O-N 2.89Å; L253-T257 PolarHBondContact O-OG1 2.95Å; T257-F259 HydrophobicContact CG2-CD2 4.32Å; T257-F259 PolarHBondContact O-N 3.49Å; T257-F259 PolarHBondContact OG1-N 3.29Å; T257-F259 VanDerWaalsContact OG1-N 3.07Å
258G98.4Very high98.3Very high66 Ų6652.3 Ų52.368%0.6829%0.294SS*.  trans72.67.6-165.900000113.5A254A254-G258 WeakPolarHBondContact O-CA 3.34Å; A254-G258 PolarHBondContact O-N 3.49Å
259F98.4Very high98.3Very high38 Ų3855.7 Ų55.717%0.16731%0.31CS..SBendtrans-98.9147.3179.1-53.1-30.3000111I154 Y157 S158 I161 L226 A254 T257 C261I154-F259 HydrophobicContact CD1-CD2 4.24Å; I154-F259 HydrophobicContact CG2-CD2 4.39Å; I154-F259 HydrophobicContact CG2-CE2 4.17Å; Y157-F259 HydrophobicContact CD1-CD1 4.18Å; Y157-F259 AromaticContact CD1-CD2 3.63Å; Y157-F259 HydrophobicContact CD1-CD2 3.63Å; Y157-F259 HydrophobicContact CD1-CE1 4.23Å; Y157-F259 AromaticContact CD1-CE2 3.7Å; Y157-F259 HydrophobicContact CD1-CE2 3.7Å; Y157-F259 AromaticContact CD1-CG 3.9Å; Y157-F259 HydrophobicContact CD1-CG 3.9Å; Y157-F259 HydrophobicContact CD1-CZ 4Å; Y157-F259 HydrophobicContact CE1-CB 4.32Å; Y157-F259 AromaticContact CE1-CD1 3.76Å; Y157-F259 HydrophobicContact CE1-CD1 3.76Å; Y157-F259 HydrophobicContact CE1-CD2 4Å; Y157-F259 HydrophobicContact CE1-CE1 4.03Å; Y157-F259 HydrophobicContact CE1-CE2 4.26Å; Y157-F259 AromaticContact CE1-CG 3.76Å; Y157-F259 HydrophobicContact CE1-CG 3.76Å; Y157-F259 HydrophobicContact CE1-CZ 4.28Å; S158-F259 WeakPolarHBondContact OG-CE2 3.25Å; I161-F259 HydrophobicContact CD1-CE1 3.89Å; I161-F259 HydrophobicContact CD1-CZ 4.13Å; L226-F259 HydrophobicContact CD2-CB 3.87Å; A254-F259 VanDerWaalsContact CA-O 3.27Å; A254-F259 WeakPolarHBondContact CA-O 3.34Å; A254-F259 VanDerWaalsContact CB-O 3.27Å; A254-F259 WeakPolarHBondContact CB-O 3.43Å; T257-F259 HydrophobicContact CG2-CD2 4.32Å; T257-F259 PolarHBondContact O-N 3.49Å; T257-F259 PolarHBondContact OG1-N 3.29Å; T257-F259 VanDerWaalsContact OG1-N 3.07Å; F259-C261 PolarHBondContact O-N 2.9Å
260P97.8Very high98.2Very high90 Ų9056.6 Ų56.658%0.58432%0.317SS*.  trans-78.863.9-178.431.8-31.5000111.2L226L226-P260 HydrophobicContact CD1-CG 3.79Å
261C98.5Very high98.2Very high11 Ų1156.7 Ų56.77%0.07432%0.318CS..  trans-68.4139.3179.4-53.70000110.8I154 L226 V250 L253 A254 F259I154-C261 VanDerWaalsContact CD1-SG 3.59Å; L226-C261 CarbonylContact O-C 3.54Å; L226-C261 VanDerWaalsContact O-CA 3.29Å; L226-C261 WeakPolarHBondContact O-CA 3.26Å; V250-C261 HydrophobicContact CG1-CB 4.12Å; L253-C261 HydrophobicContact CD2-CB 4.35Å; A254-C261 HydrophobicContact CB-CB 4.34Å; F259-C261 PolarHBondContact O-N 2.9Å
262V98.1Very high98.2Very high73 Ų7352.8 Ų52.844%0.44231%0.306SS..EExtended strand (participates in β ladder)trans-130.5147.5179.1-63.10000110.7L226 E227 V228L226-V262 PolarHBondContact O-N 3.12Å; E227-V262 CarbonylContact C-O 3.45Å; E227-V262 WeakPolarHBondContact CA-O 3.31Å; E227-V262 HydrophobicContact CB-CG2 4.21Å; E227-V262 HydrophobicContact CG-CG2 4.4Å; V228-V262 PolarHBondContact N-O 3.3Å
263P97.5Very high98.1Very high63 Ų6354.6 Ų54.641%0.40932%0.317SS..EExtended strand (participates in β ladder)trans-68.4144.2174.928.8-33.5000109.9V228 V250V228-P263 WeakPolarHBondContact O-CA 3.28Å; V250-P263 HydrophobicContact CG2-CB 4.28Å
264A97.9Very high98.1Very high10 Ų1054.9 Ų54.98%0.08332%0.318CS..  trans-59.2148.117200000112E227 V228 D266 L267 A270E227-A264 VanDerWaalsContact CG-CA 3.45Å; E227-A264 HydrophobicContact CG-CB 3.88Å; E227-A264 WeakPolarHBondContact OE1-CA 3.27Å; E227-A264 WeakPolarHBondContact OE1-CB 3.26Å; V228-A264 PolarHBondContact O-N 3.45Å; A264-D266 VanDerWaalsContact C-N 3.3Å; A264-D266 PolarHBondContact O-N 3.29Å; A264-L267 HydrophobicContact CB-CD2 4.32Å; A264-A270 HydrophobicContact CB-CB 3.53Å
265E95.9Very high98.1Very high193 Ų19355 Ų5590%0.90232%0.323SS*.SBendtrans-62.5-39.5-179.3-64.9-170.317200111.6
266D98.2Very high98.1Very high84 Ų8450.7 Ų50.745%0.44930%0.304SS..  trans-134.6118174.3-171-38.7000110.2A264 I268 E269 A270A264-D266 VanDerWaalsContact C-N 3.3Å; A264-D266 PolarHBondContact O-N 3.29Å; D266-I268 VanDerWaalsContact C-N 3.33Å; D266-I268 PolarHBondContact O-N 3.21Å; D266-I268 WeakPolarHBondContact OD1-CA 3.39Å; D266-I268 VanDerWaalsContact OD1-CB 3.3Å; D266-I268 WeakPolarHBondContact OD1-CB 3.45Å; D266-I268 PolarHBondContact OD1-N 2.93Å; D266-E269 HydrophobicContact CB-CB 4.02Å; D266-E269 PolarHBondContact O-N 3.33Å; D266-E269 PolarHBondContact OD1-N 2.96Å; D266-A270 WeakPolarHBondContact O-CB 3.47Å; D266-A270 PolarHBondContact O-N 3.14Å
267L98Very high98.1Very high36 Ų3649.3 Ų49.319%0.18830%0.295CS..Hα-helixtrans-71.7-25.3-178-65.5-179.7000113.2N229 A232 G236 A264 T271N229-L267 HydrophobicContact CB-CD2 4.08Å; A232-L267 HydrophobicContact CB-CB 3.95Å; A232-L267 HydrophobicContact CB-CD1 4.49Å; A232-L267 HydrophobicContact CB-CD2 4.27Å; A232-L267 HydrophobicContact CB-CG 4.46Å; G236-L267 VanDerWaalsContact CA-C 3.49Å; G236-L267 WeakPolarHBondContact CA-O 3.45Å; G236-L267 VanDerWaalsContact O-CB 3.25Å; G236-L267 WeakPolarHBondContact O-CB 3.45Å; A264-L267 HydrophobicContact CB-CD2 4.32Å; L267-T271 PolarHBondContact O-N 2.99Å; L267-T271 PolarHBondContact O-OG1 3.32Å
268I98.2Very high98.1Very high89 Ų8950.9 Ų50.946%0.45631%0.305SS..Hα-helixtrans-70.7-42.8176-62.1175.6000109.7T237 D266T237-I268 HydrophobicContact CG2-CD1 4.42Å; D266-I268 VanDerWaalsContact C-N 3.33Å; D266-I268 PolarHBondContact O-N 3.21Å; D266-I268 WeakPolarHBondContact OD1-CA 3.39Å; D266-I268 VanDerWaalsContact OD1-CB 3.3Å; D266-I268 WeakPolarHBondContact OD1-CB 3.45Å; D266-I268 PolarHBondContact OD1-N 2.93Å
269E98.2Very high98.1Very high94 Ų9453 Ų5344%0.43930%0.298SS..Hα-helixtrans-63.3-55.3174.9-175.6-80.1154.200110.6D266 T271 S272 D273D266-E269 HydrophobicContact CB-CB 4.02Å; D266-E269 PolarHBondContact O-N 3.33Å; D266-E269 PolarHBondContact OD1-N 2.96Å; E269-T271 PolarHBondContact O-N 2.91Å; E269-S272 PolarHBondContact O-N 3.26Å; E269-S272 VanDerWaalsContact O-N 3.13Å; E269-S272 PolarHBondContact O-OG 3.02Å; E269-D273 PolarHBondContact O-N 3.28Å
270A98.2Very high98.2Very high19 Ų1951.2 Ų51.216%0.15729%0.29CS..Hα-helixtrans-64.6-20-172.100000114.5N229 A264 D266 S272N229-A270 HydrophobicContact CB-CB 3.86Å; A264-A270 HydrophobicContact CB-CB 3.53Å; D266-A270 WeakPolarHBondContact O-CB 3.47Å; D266-A270 PolarHBondContact O-N 3.14Å; A270-S272 VanDerWaalsContact C-N 3.29Å; A270-S272 PolarHBondContact O-N 3.33Å
271T98.6Very high98.2Very high5 Ų546.9 Ų46.93%0.03126%0.262CS..THydrogen-bonded Turntrans-71.8-24.2179-58.60000112.8N145 N229 A232 G236 L267 E269 L361N145-T271 HydrophobicContact CB-CG2 3.97Å; N229-T271 PolarHBondContact ND2-OG1 3.03Å; A232-T271 WeakPolarHBondContact CB-OG1 3.48Å; G236-T271 PolarHBondContact N-OG1 3.33Å; L267-T271 PolarHBondContact O-N 2.99Å; L267-T271 PolarHBondContact O-OG1 3.32Å; E269-T271 PolarHBondContact O-N 2.91Å; T271-L361 HydrophobicContact CG2-CD1 4.27Å; T271-L361 WeakPolarHBondContact O-CD1 3.31Å
272S97.5Very high98.2Very high42 Ų4247.5 Ų47.529%0.29427%0.271SS..THydrogen-bonded Turntrans-103.9-14.3177.266.90000113.6E269 A270E269-S272 PolarHBondContact O-N 3.26Å; E269-S272 VanDerWaalsContact O-N 3.13Å; E269-S272 PolarHBondContact O-OG 3.02Å; A270-S272 VanDerWaalsContact C-N 3.29Å; A270-S272 PolarHBondContact O-N 3.33Å
273D97.9Very high98.3Very high61 Ų6144.1 Ų44.133%0.32625%0.25SS..  trans-77.5131.3-169.5-17738.5000113.5E269 G275E269-D273 PolarHBondContact O-N 3.28Å; D273-G275 WeakPolarHBondContact OD1-CA 3.46Å; D273-G275 PolarHBondContact OD1-N 3.01Å; D273-G275 PolarHBondContact OD2-N 2.63Å
274C98.4Very high98.3Very high6 Ų641.1 Ų41.14%0.04123%0.231CC..  trans-118.78.4173.1-74.90000112.3A276 Y277 V278 A354 N362 I368C274-A276 VanDerWaalsContact C-N 3.33Å; C274-A276 PolarHBondContact O-N 3.18Å; C274-Y277 HydrophobicContact CB-CD2 3.78Å; C274-Y277 HydrophobicContact CB-CE2 4.32Å; C274-Y277 WeakPolarHBondContact O-CB 3.31Å; C274-Y277 PolarHBondContact O-N 3.32Å; C274-V278 PolarHBondContact O-N 3.4Å; C274-A354 HydrophobicContact CB-CB 3.88Å; C274-N362 VanDerWaalsContact SG-CB 3.6Å; C274-I368 HydrophobicContact CB-CD1 4.27Å
275G98.5Very high98.4Very high29 Ų2944.4 Ų44.430%0.29924%0.243SC..Hα-helixtrans-60.3-38.2-173.400000113.4D273 Y277 V278 M279D273-G275 WeakPolarHBondContact OD1-CA 3.46Å; D273-G275 PolarHBondContact OD1-N 3.01Å; D273-G275 PolarHBondContact OD2-N 2.63Å; G275-Y277 VanDerWaalsContact C-N 3.31Å; G275-Y277 PolarHBondContact O-N 3.45Å; G275-V278 PolarHBondContact O-N 2.86Å; G275-M279 WeakPolarHBondContact O-CG 3.48Å; G275-M279 PolarHBondContact O-N 3.22Å
276A98.5Very high98.5Very high8 Ų840.7 Ų40.77%0.06622%0.221CC..Hα-helixtrans-59.9-40.2174.800000112.3L224 L225 C274 V278 M279 V280L224-A276 HydrophobicContact CB-CB 3.97Å; L225-A276 HydrophobicContact CD2-CB 4.3Å; C274-A276 VanDerWaalsContact C-N 3.33Å; C274-A276 PolarHBondContact O-N 3.18Å; A276-V278 PolarHBondContact O-N 3.39Å; A276-M279 PolarHBondContact O-N 3.45Å; A276-V280 WeakPolarHBondContact O-CB 3.35Å; A276-V280 VanDerWaalsContact O-CG2 3.25Å; A276-V280 WeakPolarHBondContact O-CG2 3.39Å; A276-V280 PolarHBondContact O-N 2.69Å
277Y98.8Very high98.5Very high1 Ų136.7 Ų36.70%0.00420%0.199CC..Hα-helixtrans-65.1-40.6178.6-50.5-46.2000111.5F152 R153 L225 C274 G275 H281 E365 I368 M372F152-Y277 AromaticContact CD1-CE1 3.76Å; F152-Y277 HydrophobicContact CD1-CE1 3.76Å; F152-Y277 HydrophobicContact CD1-CE2 4.31Å; F152-Y277 AromaticContact CD1-CZ 3.62Å; F152-Y277 AromaticContact CE1-CD1 3.89Å; F152-Y277 HydrophobicContact CE1-CD1 3.89Å; F152-Y277 HydrophobicContact CE1-CD2 4.33Å; F152-Y277 AromaticContact CE1-CE1 3.52Å; F152-Y277 HydrophobicContact CE1-CE1 3.52Å; F152-Y277 AromaticContact CE1-CE2 4Å; F152-Y277 HydrophobicContact CE1-CE2 4Å; F152-Y277 HydrophobicContact CE1-CG 4.29Å; F152-Y277 AromaticContact CE1-CZ 3.58Å; F152-Y277 HydrophobicContact CZ-CD1 4.4Å; F152-Y277 HydrophobicContact CZ-CE1 4.32Å; R153-Y277 HydrophobicContact CG-CE1 3.74Å; L225-Y277 HydrophobicContact CD2-CD1 3.99Å; L225-Y277 HydrophobicContact CD2-CE1 4.09Å; C274-Y277 HydrophobicContact CB-CD2 3.78Å; C274-Y277 HydrophobicContact CB-CE2 4.32Å; C274-Y277 WeakPolarHBondContact O-CB 3.31Å; C274-Y277 PolarHBondContact O-N 3.32Å; G275-Y277 VanDerWaalsContact C-N 3.31Å; G275-Y277 PolarHBondContact O-N 3.45Å; Y277-H281 WeakPolarHBondContact O-CB 3.18Å; Y277-H281 PolarHBondContact O-N 2.91Å; Y277-E365 PolarHBondContact OH-OE1 3.49Å; Y277-I368 HydrophobicContact CD2-CD1 4.35Å; Y277-I368 HydrophobicContact CD2-CG2 3.99Å; Y277-I368 HydrophobicContact CG-CG2 3.94Å; Y277-M372 HydrophobicContact CD1-CE 4.44Å; Y277-M372 HydrophobicContact CD1-SD 3.92Å; Y277-M372 HydrophobicContact CG-SD 4.15Å
278V98.9Very high98.6Very high50 Ų5035 Ų3530%0.30319%0.191SC..Hα-helixtrans-62.2-46.5175.4177.90000111C274 G275 A276 H281 G282 V350 A354C274-V278 PolarHBondContact O-N 3.4Å; G275-V278 PolarHBondContact O-N 2.86Å; A276-V278 PolarHBondContact O-N 3.39Å; V278-H281 PolarHBondContact O-N 2.86Å; V278-G282 PolarHBondContact O-N 3.38Å; V278-V350 HydrophobicContact CG2-CG1 4.43Å; V278-A354 HydrophobicContact CG2-CB 3.35Å
279M98.7Very high98.6Very high110 Ų11034.6 Ų34.654%0.54219%0.192SC..Hα-helixtrans-64.5-44.3179.4-72.8-62.6-67.500112.3L224 G275 A276 G282 A283L224-M279 HydrophobicContact CD1-CB 3.8Å; L224-M279 HydrophobicContact CD1-CG 4.22Å; G275-M279 WeakPolarHBondContact O-CG 3.48Å; G275-M279 PolarHBondContact O-N 3.22Å; A276-M279 PolarHBondContact O-N 3.45Å; M279-G282 PolarHBondContact O-N 3.02Å; M279-A283 PolarHBondContact O-N 3Å; M279-A283 VanDerWaalsContact O-N 3.15Å
280V98.9Very high98.6Very high1 Ų131.5 Ų31.51%0.00618%0.177CC..Hα-helixtrans-62.5-48.1176.7169.30000110.8L160 T221 L225 A276 G282 A283 L284 M372L160-V280 HydrophobicContact CD1-CG1 3.73Å; L160-V280 HydrophobicContact CD2-CG1 4.4Å; T221-V280 VanDerWaalsContact O-CG2 3.26Å; T221-V280 WeakPolarHBondContact O-CG2 3.33Å; L225-V280 HydrophobicContact CD1-CG2 4.1Å; L225-V280 HydrophobicContact CD2-CG2 4.18Å; L225-V280 HydrophobicContact CG-CG2 4.01Å; A276-V280 WeakPolarHBondContact O-CB 3.35Å; A276-V280 VanDerWaalsContact O-CG2 3.25Å; A276-V280 WeakPolarHBondContact O-CG2 3.39Å; A276-V280 PolarHBondContact O-N 2.69Å; V280-G282 VanDerWaalsContact C-N 3.3Å; V280-G282 PolarHBondContact O-N 3.22Å; V280-A283 WeakPolarHBondContact O-CB 3.29Å; V280-A283 PolarHBondContact O-N 3.41Å; V280-A283 VanDerWaalsContact O-N 3.09Å; V280-L284 PolarHBondContact O-N 2.98Å; V280-L284 VanDerWaalsContact O-N 3.15Å; V280-M372 HydrophobicContact CB-CE 3.88Å; V280-M372 HydrophobicContact CG1-CE 3.47Å; V280-M372 VanDerWaalsContact CG1-CE 3.47Å
281H98.9Very high98.7Very high0 Ų030.7 Ų30.70%017%0.17CC..Hα-helixtrans-67.9-33.3-179.3-157.4-64.7000111.8Y277 V278 A283 L284 K285 V343 D347 V350 S375Y277-H281 WeakPolarHBondContact O-CB 3.18Å; Y277-H281 PolarHBondContact O-N 2.91Å; V278-H281 PolarHBondContact O-N 2.86Å; H281-A283 VanDerWaalsContact C-N 3.25Å; H281-A283 PolarHBondContact O-N 3.11Å; H281-L284 CarbonylContact O-C 3.39Å; H281-L284 WeakPolarHBondContact O-CA 3.37Å; H281-L284 WeakPolarHBondContact O-CB 3.22Å; H281-L284 PolarHBondContact O-N 2.97Å; H281-K285 PolarHBondContact O-N 3.32Å; H281-V343 PolarHBondContact CE1-O 2.94Å; H281-V343 VanDerWaalsContact CE1-O 3.28Å; H281-D347 VanDerWaalsContact C-OD1 3.23Å; H281-D347 WeakPolarHBondContact CE1-CA 3.38Å; H281-D347 PolarHBondContact CE1-N 3.35Å; H281-D347 IonicContact CE1-OD1 3.68Å; H281-D347 IonicContact CG-OD1 2.66Å; H281-D347 WeakPolarHBondContact ND1-CA 3.44Å; H281-D347 VanDerWaalsContact ND1-CB 3.27Å; H281-D347 WeakPolarHBondContact ND1-CB 3.39Å; H281-D347 IonicContact ND1-OD1 2.72Å; H281-D347 PolarHBondContact ND1-OD1 3.46Å; H281-V350 HydrophobicContact CB-CB 4.38Å; H281-V350 HydrophobicContact CB-CG1 4.13Å; H281-V350 HydrophobicContact CB-CG2 4.33Å; H281-S375 PolarHBondContact NE2-OG 3.37Å
282G98.9Very high98.7Very high24 Ų2431 Ų3125%0.24717%0.172CC..Hα-helixtrans-57.9-36170.200000113.2V278 M279 V280 R286 D347V278-G282 PolarHBondContact O-N 3.38Å; M279-G282 PolarHBondContact O-N 3.02Å; V280-G282 VanDerWaalsContact C-N 3.3Å; V280-G282 PolarHBondContact O-N 3.22Å; G282-R286 PolarHBondContact O-N 3.15Å; G282-R286 VanDerWaalsContact O-N 3.1Å; G282-D347 PolarHBondContact N-OD1 2.61Å
283A98.9Very high98.7Very high2 Ų233.6 Ų33.62%0.01718%0.179CC..Hα-helixtrans-67.5-41171.900000112.4N217 I218 T221 M279 V280 H281 R286 L287N217-A283 WeakPolarHBondContact ND2-CA 3.42Å; N217-A283 WeakPolarHBondContact ND2-CB 3.4Å; I218-A283 HydrophobicContact CG1-CB 4.15Å; T221-A283 HydrophobicContact CG2-CB 4.08Å; T221-A283 WeakPolarHBondContact OG1-CB 3.34Å; M279-A283 PolarHBondContact O-N 3Å; M279-A283 VanDerWaalsContact O-N 3.15Å; V280-A283 WeakPolarHBondContact O-CB 3.29Å; V280-A283 PolarHBondContact O-N 3.41Å; V280-A283 VanDerWaalsContact O-N 3.09Å; H281-A283 VanDerWaalsContact C-N 3.25Å; H281-A283 PolarHBondContact O-N 3.11Å; A283-R286 PolarHBondContact O-N 2.91Å; A283-L287 PolarHBondContact O-N 3.31Å; A283-L287 VanDerWaalsContact O-N 3.08Å
284L98.9Very high98.8Very high0 Ų030.9 Ų30.90%016%0.164CC..Hα-helixtrans-63.2-40.7174.5-59-179.1000112L160 L163 I218 V280 H281 R286 L287 A288 V343 V376 L379L160-L284 HydrophobicContact CD2-CD2 3.93Å; L163-L284 HydrophobicContact CD2-CD2 3.51Å; I218-L284 HydrophobicContact CD1-CD2 4.28Å; V280-L284 PolarHBondContact O-N 2.98Å; V280-L284 VanDerWaalsContact O-N 3.15Å; H281-L284 CarbonylContact O-C 3.39Å; H281-L284 WeakPolarHBondContact O-CA 3.37Å; H281-L284 WeakPolarHBondContact O-CB 3.22Å; H281-L284 PolarHBondContact O-N 2.97Å; L284-R286 PolarHBondContact O-N 3.15Å; L284-L287 WeakPolarHBondContact O-CB 3.2Å; L284-L287 PolarHBondContact O-N 3.27Å; L284-A288 PolarHBondContact O-N 3.47Å; L284-V343 HydrophobicContact CB-CG1 4.29Å; L284-V376 HydrophobicContact CD1-CG2 3.68Å; L284-V376 HydrophobicContact CD2-CG2 4.47Å; L284-L379 HydrophobicContact CB-CD1 4.16Å; L284-L379 HydrophobicContact CD2-CD1 4.22Å
285K98.9Very high98.8Very high78 Ų7830.6 Ų30.634%0.33916%0.162SC..Hα-helixtrans-59.1-45.9173.8173.5178.362.4-160.90111.3H281 L287 A288 V289 I344 D347H281-K285 PolarHBondContact O-N 3.32Å; K285-L287 VanDerWaalsContact C-N 3.33Å; K285-L287 PolarHBondContact O-N 2.99Å; K285-A288 WeakPolarHBondContact O-CB 3.42Å; K285-A288 PolarHBondContact O-N 3.22Å; K285-V289 WeakPolarHBondContact O-CG2 3.48Å; K285-V289 PolarHBondContact O-N 3.48Å; K285-I344 HydrophobicContact CG-CG1 4.25Å; K285-D347 HydrophobicContact CB-CB 4.26Å; K285-D347 HydrophobicContact CD-CB 4.22Å; K285-D347 VanDerWaalsContact CD-OD2 3.29Å; K285-D347 WeakPolarHBondContact CD-OD2 3.4Å; K285-D347 WeakPolarHBondContact CE-OD2 3.31Å; K285-D347 IonicContact NZ-OD2 2.68Å; K285-D347 PolarHBondContact NZ-OD2 3.15Å
286R98.8Very high98.8Very high115 Ų11532 Ų3243%0.43416%0.163SC..Hα-helixtrans-61.8-41.6178.9-173.9-173.6156.6152.33.5111.6E214 G282 A283 L284 V289 K290E214-R286 IonicContact OE1-CZ 2.77Å; E214-R286 IonicContact OE1-NE 3.26Å; E214-R286 PolarHBondContact OE1-NE 2.93Å; E214-R286 IonicContact OE1-NH2 3.97Å; E214-R286 WeakPolarHBondContact OE2-CB 3.34Å; E214-R286 VanDerWaalsContact OE2-CD 3.3Å; E214-R286 WeakPolarHBondContact OE2-CD 3.4Å; E214-R286 WeakPolarHBondContact OE2-CG 3.25Å; E214-R286 IonicContact OE2-NE 3.08Å; E214-R286 PolarHBondContact OE2-NE 3.07Å; G282-R286 PolarHBondContact O-N 3.15Å; G282-R286 VanDerWaalsContact O-N 3.1Å; A283-R286 PolarHBondContact O-N 2.91Å; L284-R286 PolarHBondContact O-N 3.15Å; R286-V289 PolarHBondContact O-N 3.12Å; R286-K290 PolarHBondContact O-N 3.07Å; R286-K290 VanDerWaalsContact O-N 3.15Å
287L98.9Very high98.9Very high0 Ų033 Ų330%017%0.167CC..Hα-helixtrans-58.4-49.1171.817265.8000111.3I167 L211 E214 I218 A283 L284 K285 V289 K290 M291 L379I167-L287 HydrophobicContact CD1-CD1 4.34Å; I167-L287 HydrophobicContact CD1-CD2 3.52Å; I167-L287 HydrophobicContact CG1-CD2 4.11Å; L211-L287 HydrophobicContact CD2-CD1 3.98Å; E214-L287 HydrophobicContact CB-CB 4.32Å; E214-L287 HydrophobicContact CB-CD1 3.85Å; E214-L287 HydrophobicContact CG-CB 4.31Å; E214-L287 HydrophobicContact CG-CD1 3.99Å; E214-L287 PolarHBondContact OE2-N 3.5Å; I218-L287 HydrophobicContact CD1-CB 4.47Å; I218-L287 HydrophobicContact CD1-CD2 3.88Å; A283-L287 PolarHBondContact O-N 3.31Å; A283-L287 VanDerWaalsContact O-N 3.08Å; L284-L287 WeakPolarHBondContact O-CB 3.2Å; L284-L287 PolarHBondContact O-N 3.27Å; K285-L287 VanDerWaalsContact C-N 3.33Å; K285-L287 PolarHBondContact O-N 2.99Å; L287-V289 VanDerWaalsContact C-N 3.33Å; L287-V289 PolarHBondContact O-N 3.27Å; L287-K290 PolarHBondContact O-N 3.21Å; L287-K290 VanDerWaalsContact O-N 3.16Å; L287-M291 HydrophobicContact CD1-CG 3.82Å; L287-M291 HydrophobicContact CD1-SD 3.84Å; L287-M291 HydrophobicContact CD2-SD 4.31Å; L287-M291 HydrophobicContact CG-CG 4.25Å; L287-M291 HydrophobicContact CG-SD 3.9Å; L287-M291 PolarHBondContact O-N 3.31Å; L287-L379 HydrophobicContact CD2-CD1 4.28Å; L287-L379 HydrophobicContact CD2-CD2 4.43Å
288A98.9Very high98.9Very high0 Ų033 Ų330%017%0.167CC..Hα-helixtrans-59.1-41.3179.400000112.4L284 K285 K290 S292 C340 V343 I344L284-A288 PolarHBondContact O-N 3.47Å; K285-A288 WeakPolarHBondContact O-CB 3.42Å; K285-A288 PolarHBondContact O-N 3.22Å; A288-K290 PolarHBondContact O-N 3.37Å; A288-S292 WeakPolarHBondContact O-CB 3.25Å; A288-S292 PolarHBondContact O-N 2.87Å; A288-C340 HydrophobicContact CB-CB 3.98Å; A288-C340 WeakPolarHBondContact O-CB 3.36Å; A288-C340 PolarHBondContact O-SG 3.41Å; A288-V343 HydrophobicContact CB-CB 3.99Å; A288-V343 HydrophobicContact CB-CG1 3.9Å; A288-I344 HydrophobicContact CB-CG1 4.48Å
289V98.9Very high98.9Very high81 Ų8134.7 Ų34.749%0.49117%0.168SC..Hα-helixtrans-60.2-46.7175.2171.20000111.1K285 R286 L287 S292 K293 I344K285-V289 WeakPolarHBondContact O-CG2 3.48Å; K285-V289 PolarHBondContact O-N 3.48Å; R286-V289 PolarHBondContact O-N 3.12Å; L287-V289 VanDerWaalsContact C-N 3.33Å; L287-V289 PolarHBondContact O-N 3.27Å; V289-S292 PolarHBondContact O-N 3.02Å; V289-K293 PolarHBondContact O-N 2.83Å; V289-K293 VanDerWaalsContact O-N 3.07Å; V289-I344 HydrophobicContact CG2-CD1 4.2Å
290K98.8Very high98.9Very high29 Ų2933.1 Ų33.113%0.12616%0.161CC..Hα-helixtrans-66.9-45.2179.2-76.4179.9166.1-168.60112.5L210 E213 E214 R286 L287 A288 S292 K293 I294L210-K290 HydrophobicContact CB-CD 4.37Å; L210-K290 HydrophobicContact CD2-CD 3.98Å; L210-K290 HydrophobicContact CD2-CG 4.39Å; L210-K290 PolarHBondContact O-NZ 3.47Å; E213-K290 IonicContact OE2-NZ 2.81Å; E213-K290 PolarHBondContact OE2-NZ 2.93Å; E214-K290 HydrophobicContact CG-CD 3.67Å; E214-K290 VanDerWaalsContact OE1-CD 3.32Å; E214-K290 WeakPolarHBondContact OE1-CD 3.43Å; E214-K290 WeakPolarHBondContact OE1-CE 3.24Å; E214-K290 IonicContact OE1-NZ 3.33Å; E214-K290 PolarHBondContact OE1-NZ 3.44Å; R286-K290 PolarHBondContact O-N 3.07Å; R286-K290 VanDerWaalsContact O-N 3.15Å; L287-K290 PolarHBondContact O-N 3.21Å; L287-K290 VanDerWaalsContact O-N 3.16Å; A288-K290 PolarHBondContact O-N 3.37Å; K290-S292 VanDerWaalsContact C-N 3.32Å; K290-S292 PolarHBondContact O-N 3.01Å; K290-K293 PolarHBondContact O-N 3.23Å; K290-I294 WeakPolarHBondContact O-CG1 3.37Å; K290-I294 PolarHBondContact O-N 2.91Å
291M98.7Very high98.9Very high2 Ų233.5 Ų33.51%0.0116%0.163CC..Hα-helixtrans-60.9-42.3176-75.4-174.970.100111.4L170 L211 L287 K293 I294 C295 V336 L379L170-M291 HydrophobicContact CD2-CE 4.08Å; L211-M291 HydrophobicContact CD2-CG 4Å; L287-M291 HydrophobicContact CD1-CG 3.82Å; L287-M291 HydrophobicContact CD1-SD 3.84Å; L287-M291 HydrophobicContact CD2-SD 4.31Å; L287-M291 HydrophobicContact CG-CG 4.25Å; L287-M291 HydrophobicContact CG-SD 3.9Å; L287-M291 PolarHBondContact O-N 3.31Å; M291-K293 VanDerWaalsContact C-N 3.33Å; M291-K293 PolarHBondContact O-N 3.35Å; M291-I294 PolarHBondContact O-N 3.34Å; M291-C295 PolarHBondContact O-N 2.79Å; M291-C295 PolarHBondContact O-SG 3.15Å; M291-V336 HydrophobicContact CE-CG1 3.94Å; M291-L379 HydrophobicContact SD-CD2 4.16Å
292S98.9Very high98.9Very high11 Ų1134.6 Ų34.68%0.07717%0.171CC..Hα-helixtrans-61.2-41.8176.9-165.80000111.8A288 V289 K290 C295 N296 N337A288-S292 WeakPolarHBondContact O-CB 3.25Å; A288-S292 PolarHBondContact O-N 2.87Å; V289-S292 PolarHBondContact O-N 3.02Å; K290-S292 VanDerWaalsContact C-N 3.32Å; K290-S292 PolarHBondContact O-N 3.01Å; S292-C295 PolarHBondContact O-N 3.37Å; S292-N296 PolarHBondContact O-N 3.27Å; S292-N296 PolarHBondContact O-ND2 2.94Å; S292-N296 PolarHBondContact O-OD1 3.48Å; S292-N337 WeakPolarHBondContact CA-ND2 3.42Å; S292-N337 PolarHBondContact O-ND2 2.73Å; S292-N337 PolarHBondContact OG-ND2 2.85Å
293K98.8Very high98.9Very high98 Ų9835.3 Ų35.343%0.42617%0.172SC..Hα-helixtrans-60.2-48.1173.6-171.9-86.8-176.7177.70111.7V289 K290 M291 C295 N296 D297V289-K293 PolarHBondContact O-N 2.83Å; V289-K293 VanDerWaalsContact O-N 3.07Å; K290-K293 PolarHBondContact O-N 3.23Å; M291-K293 VanDerWaalsContact C-N 3.33Å; M291-K293 PolarHBondContact O-N 3.35Å; K293-C295 VanDerWaalsContact C-N 3.31Å; K293-C295 PolarHBondContact O-N 3.11Å; K293-N296 WeakPolarHBondContact O-CB 3.39Å; K293-N296 PolarHBondContact O-N 2.9Å; K293-N296 VanDerWaalsContact O-N 3.13Å; K293-D297 WeakPolarHBondContact CD-OD2 3.49Å; K293-D297 WeakPolarHBondContact CE-OD1 3.44Å; K293-D297 WeakPolarHBondContact CE-OD2 3.2Å; K293-D297 IonicContact NZ-OD1 3.4Å; K293-D297 IonicContact NZ-OD2 2.85Å; K293-D297 PolarHBondContact NZ-OD2 2.85Å; K293-D297 PolarHBondContact O-N 3.3Å
294I98.9Very high98.8Very high3 Ų337.3 Ų37.32%0.01519%0.193CC..Hα-helixtrans-56.4-47.2177.3-66.3166.9000110.2F174 F207 L210 L211 K290 M291 N296 D297 L298F174-I294 HydrophobicContact CE1-CG2 4.01Å; F174-I294 HydrophobicContact CE2-CG2 4.3Å; F174-I294 HydrophobicContact CZ-CG2 3.5Å; F174-I294 VanDerWaalsContact CZ-CG2 3.5Å; F207-I294 HydrophobicContact CB-CD1 4.08Å; F207-I294 HydrophobicContact CB-CG1 4.25Å; F207-I294 HydrophobicContact CB-CG2 4.44Å; F207-I294 HydrophobicContact CD1-CB 4.48Å; F207-I294 HydrophobicContact CD1-CD1 4.39Å; F207-I294 HydrophobicContact CD1-CG1 3.7Å; F207-I294 HydrophobicContact CD1-CG2 4.34Å; F207-I294 HydrophobicContact CD2-CG2 4.24Å; F207-I294 HydrophobicContact CE1-CG1 4.28Å; F207-I294 HydrophobicContact CG-CD1 4.47Å; F207-I294 HydrophobicContact CG-CG1 4.08Å; F207-I294 HydrophobicContact CG-CG2 4.1Å; L210-I294 HydrophobicContact CD1-CG1 4.47Å; L211-I294 HydrophobicContact CD2-CD1 4.32Å; L211-I294 HydrophobicContact CG-CD1 4.3Å; K290-I294 WeakPolarHBondContact O-CG1 3.37Å; K290-I294 PolarHBondContact O-N 2.91Å; M291-I294 PolarHBondContact O-N 3.34Å; I294-N296 VanDerWaalsContact C-N 3.34Å; I294-N296 PolarHBondContact O-N 2.98Å; I294-D297 PolarHBondContact O-N 3.01Å; I294-L298 HydrophobicContact CG2-CD1 4.24Å; I294-L298 WeakPolarHBondContact O-CG 3.46Å; I294-L298 PolarHBondContact O-N 2.7Å
295C98.9Very high98.7Very high0 Ų042.2 Ų42.20%023%0.225CC..Hα-helixtrans-64.7-35.9177.6-70.60000113M291 S292 K293 L298 R299 P333 V336M291-C295 PolarHBondContact O-N 2.79Å; M291-C295 PolarHBondContact O-SG 3.15Å; S292-C295 PolarHBondContact O-N 3.37Å; K293-C295 VanDerWaalsContact C-N 3.31Å; K293-C295 PolarHBondContact O-N 3.11Å; C295-L298 PolarHBondContact O-N 3.38Å; C295-R299 WeakPolarHBondContact O-CG 3.38Å; C295-R299 PolarHBondContact O-N 2.98Å; C295-P333 HydrophobicContact CB-CB 3.94Å; C295-V336 VanDerWaalsContact SG-CB 3.6Å; C295-V336 WeakPolarHBondContact SG-CG1 3.47Å
296N98.9Very high98.6Very high59 Ų5950.1 Ų50.132%0.31625%0.253SS..Hα-helixtrans-63.1-44.3174.2-64.7-20.2000111.6S292 K293 I294 R299 L300 N337S292-N296 PolarHBondContact O-N 3.27Å; S292-N296 PolarHBondContact O-ND2 2.94Å; S292-N296 PolarHBondContact O-OD1 3.48Å; K293-N296 WeakPolarHBondContact O-CB 3.39Å; K293-N296 PolarHBondContact O-N 2.9Å; K293-N296 VanDerWaalsContact O-N 3.13Å; I294-N296 VanDerWaalsContact C-N 3.34Å; I294-N296 PolarHBondContact O-N 2.98Å; N296-R299 PolarHBondContact O-N 3.38Å; N296-R299 PolarHBondContact OD1-NH2 3.18Å; N296-L300 WeakPolarHBondContact O-CB 3.41Å; N296-L300 PolarHBondContact O-N 3.49Å; N296-N337 PolarHBondContact OD1-ND2 3.34Å; N296-N337 PolarHBondContact OD1-OD1 3.44Å
297D98.9Very high98.5Very high30 Ų3049.7 Ų49.716%0.1627%0.274CS..Hα-helixtrans-60.8-48.1175.8-690.4000110.5F207 K293 I294 R299 L300 L301F207-D297 WeakPolarHBondContact CE1-OD2 3.38Å; F207-D297 HydrophobicContact CZ-CB 3.99Å; K293-D297 WeakPolarHBondContact CD-OD2 3.49Å; K293-D297 WeakPolarHBondContact CE-OD1 3.44Å; K293-D297 WeakPolarHBondContact CE-OD2 3.2Å; K293-D297 IonicContact NZ-OD1 3.4Å; K293-D297 IonicContact NZ-OD2 2.85Å; K293-D297 PolarHBondContact NZ-OD2 2.85Å; K293-D297 PolarHBondContact O-N 3.3Å; I294-D297 PolarHBondContact O-N 3.01Å; D297-R299 VanDerWaalsContact C-N 3.3Å; D297-R299 PolarHBondContact O-N 3.19Å; D297-L300 PolarHBondContact O-N 3.46Å; D297-L301 WeakPolarHBondContact O-CB 3.39Å; D297-L301 VanDerWaalsContact O-CG 3.25Å; D297-L301 WeakPolarHBondContact O-CG 3.32Å; D297-L301 PolarHBondContact O-N 3.41Å
298L98.9Very high98.5Very high0 Ų051.1 Ų51.10%029%0.288CS..Hα-helixtrans-56.9-43.1178.9-68.7175.5000112.1F204 I294 C295 S302 I312 P333 L386 I391 I394F204-L298 HydrophobicContact CZ-CD2 4.04Å; I294-L298 HydrophobicContact CG2-CD1 4.24Å; I294-L298 WeakPolarHBondContact O-CG 3.46Å; I294-L298 PolarHBondContact O-N 2.7Å; C295-L298 PolarHBondContact O-N 3.38Å; L298-S302 VanDerWaalsContact O-CB 3.31Å; L298-S302 WeakPolarHBondContact O-CB 3.25Å; L298-S302 PolarHBondContact O-N 3.41Å; L298-S302 PolarHBondContact O-OG 3.01Å; L298-S302 VanDerWaalsContact O-OG 3.12Å; L298-I312 HydrophobicContact CD2-CD1 3.76Å; L298-P333 HydrophobicContact CB-CG 4.24Å; L298-L386 HydrophobicContact CD1-CD1 4.49Å; L298-I391 HydrophobicContact CD1-CD1 3.67Å; L298-I394 HydrophobicContact CD2-CD1 3.82Å
299R98.9Very high98.5Very high86 Ų8652.7 Ų52.733%0.32530%0.297SS..Hα-helixtrans-65.3-38.7176.2-67.4-173.3-61.5101.9-0.8112.5C295 N296 D297 S302 S303 P330 P333 N337C295-R299 WeakPolarHBondContact O-CG 3.38Å; C295-R299 PolarHBondContact O-N 2.98Å; N296-R299 PolarHBondContact O-N 3.38Å; N296-R299 PolarHBondContact OD1-NH2 3.18Å; D297-R299 VanDerWaalsContact C-N 3.3Å; D297-R299 PolarHBondContact O-N 3.19Å; R299-S302 PolarHBondContact O-OG 3.09Å; R299-S303 PolarHBondContact O-N 3.46Å; R299-P330 HydrophobicContact CB-CG 4.2Å; R299-P330 HydrophobicContact CG-CB 3.9Å; R299-P330 HydrophobicContact CG-CG 3.72Å; R299-P333 HydrophobicContact CG-CB 3.53Å; R299-P333 HydrophobicContact CG-CG 4.31Å; R299-N337 PolarHBondContact NE-OD1 2.9Å; R299-N337 PolarHBondContact NH2-OD1 2.76Å
300L98.9Very high98.5Very high76 Ų7650.5 Ų50.540%0.39828%0.282SS..Hα-helixtrans-70.9-47-179.8-178.959.9000111.2L192 N296 D297 S302 S303 L309L192-L300 HydrophobicContact CD2-CD2 3.88Å; N296-L300 WeakPolarHBondContact O-CB 3.41Å; N296-L300 PolarHBondContact O-N 3.49Å; D297-L300 PolarHBondContact O-N 3.46Å; L300-S302 VanDerWaalsContact C-N 3.26Å; L300-S302 PolarHBondContact O-N 3.15Å; L300-S303 VanDerWaalsContact O-CB 3.25Å; L300-S303 WeakPolarHBondContact O-CB 3.43Å; L300-S303 PolarHBondContact O-N 3.39Å; L300-S303 VanDerWaalsContact O-N 3.11Å; L300-S303 PolarHBondContact O-OG 3.04Å; L300-L309 HydrophobicContact CD1-CD1 4.23Å; L300-L309 HydrophobicContact CG-CD1 3.88Å
301L98.9Very high98.5Very high9 Ų949.1 Ų49.15%0.04728%0.276CS..Hα-helixtrans-64.2-31.8178.5-64.1179.6000112.1E203 D297 S303 L309 N310 E311 I312E203-L301 WeakPolarHBondContact OE2-CD1 3.49Å; D297-L301 WeakPolarHBondContact O-CB 3.39Å; D297-L301 VanDerWaalsContact O-CG 3.25Å; D297-L301 WeakPolarHBondContact O-CG 3.32Å; D297-L301 PolarHBondContact O-N 3.41Å; L301-S303 VanDerWaalsContact C-N 3.34Å; L301-L309 HydrophobicContact CD2-CD1 4.3Å; L301-N310 PolarHBondContact O-N 3.14Å; L301-E311 WeakPolarHBondContact CD2-OE2 3.15Å; L301-E311 PolarHBondContact O-N 2.84Å; L301-I312 HydrophobicContact CB-CD1 3.82Å; L301-I312 HydrophobicContact CB-CG1 3.82Å; L301-I312 HydrophobicContact CD1-CD1 4.45Å; L301-I312 PolarHBondContact O-N 3.22Å
302S98.7Very high98.5Very high24 Ų2449 Ų4917%0.16828%0.276CS..THydrogen-bonded Turntrans-88.87.2175.581.20000114.3L298 R299 L300 G304 I312L298-S302 VanDerWaalsContact O-CB 3.31Å; L298-S302 WeakPolarHBondContact O-CB 3.25Å; L298-S302 PolarHBondContact O-N 3.41Å; L298-S302 PolarHBondContact O-OG 3.01Å; L298-S302 VanDerWaalsContact O-OG 3.12Å; R299-S302 PolarHBondContact O-OG 3.09Å; L300-S302 VanDerWaalsContact C-N 3.26Å; L300-S302 PolarHBondContact O-N 3.15Å; S302-G304 PolarHBondContact O-N 3.46Å; S302-I312 WeakPolarHBondContact CA-O 3.1Å
303S98.8Very high98.5Very high38 Ų3851.2 Ų51.227%0.26629%0.287SS..  trans-66.2129.8179.661.30000110.5R299 L300 L301 G308 L309 N310R299-S303 PolarHBondContact O-N 3.46Å; L300-S303 VanDerWaalsContact O-CB 3.25Å; L300-S303 WeakPolarHBondContact O-CB 3.43Å; L300-S303 PolarHBondContact O-N 3.39Å; L300-S303 VanDerWaalsContact O-N 3.11Å; L300-S303 PolarHBondContact O-OG 3.04Å; L301-S303 VanDerWaalsContact C-N 3.34Å; S303-G308 CarbonylContact O-C 3.31Å; S303-G308 VanDerWaalsContact O-C 3.31Å; S303-G308 WeakPolarHBondContact O-CA 3.32Å; S303-L309 PolarHBondContact O-N 3.23Å; S303-L309 PolarHBondContact OG-N 3.43Å; S303-N310 WeakPolarHBondContact O-CA 3.28Å; S303-N310 PolarHBondContact O-N 3.15Å
304G97.9Very high98.5Very high45 Ų4547.8 Ų47.846%0.46427%0.273SS..  trans167.6-157.2-170.400000113.3S302S302-G304 PolarHBondContact O-N 3.46Å
305P96.2Very high98.5Very high103 Ų10349.6 Ų49.667%0.66928%0.284SS*.SBendcis-85.5-9.34.532.4-35.1000114.5
306R97Very high98.4Very high244 Ų24457 Ų5792%0.92132%0.319SS*.SBendtrans-119.9-21.4-171.8-65.3-84.1-175.3115.91.1114.9
307A97.7Very high98.2Very high106 Ų10658 Ų5888%0.87632%0.324SS*.SBendtrans-13334.8-169.600000112.3
308G98.2Very high97.9Very high29 Ų2962.5 Ų62.530%0.29934%0.344SS..SBendtrans-144.7-161.1176.300000110.3S303S303-G308 CarbonylContact O-C 3.31Å; S303-G308 VanDerWaalsContact O-C 3.31Å; S303-G308 WeakPolarHBondContact O-CA 3.32Å
309L98.7Very high97.4Very high34 Ų3466.6 Ų66.618%0.17838%0.378CS..  trans-75.8-41179.4-60.1-174.1000112.9L300 L301 S303 E311 V400 Y404L300-L309 HydrophobicContact CD1-CD1 4.23Å; L300-L309 HydrophobicContact CG-CD1 3.88Å; L301-L309 HydrophobicContact CD2-CD1 4.3Å; S303-L309 PolarHBondContact O-N 3.23Å; S303-L309 PolarHBondContact OG-N 3.43Å; L309-E311 HydrophobicContact CB-CG 4.42Å; L309-E311 PolarHBondContact O-N 3.16Å; L309-E311 VanDerWaalsContact O-N 3.14Å; L309-V400 WeakPolarHBondContact O-CG1 3.36Å; L309-Y404 VanDerWaalsContact O-CE2 3.29Å; L309-Y404 WeakPolarHBondContact O-CE2 3.27Å; L309-Y404 PolarHBondContact O-OH 3.06Å
310N98.6Very high96.8Very high34 Ų3463.2 Ų63.218%0.18237%0.37CS..  trans50.638.8177-16158.5000114L301 S303 N397L301-N310 PolarHBondContact O-N 3.14Å; S303-N310 WeakPolarHBondContact O-CA 3.28Å; S303-N310 PolarHBondContact O-N 3.15Å; N310-N397 PolarHBondContact ND2-ND2 2.81Å; N310-N397 VanDerWaalsContact O-CB 3.3Å; N310-N397 WeakPolarHBondContact O-CB 3.45Å; N310-N397 PolarHBondContact O-ND2 3.27Å
311E98.9Very high96.5Very high0 Ų061.1 Ų61.10%036%0.361CS..  trans-79.7-29.9179.6-72.5-170.4-178.400112.3K186 R189 L301 L309 N397 C401 Y404K186-E311 WeakPolarHBondContact CE-OE2 3.45Å; K186-E311 IonicContact NZ-OE2 3.72Å; K186-E311 PolarHBondContact NZ-OE2 3.47Å; R189-E311 IonicContact CZ-OE1 3.71Å; R189-E311 VanDerWaalsContact CZ-OE1 3.23Å; R189-E311 IonicContact NH1-OE1 3.91Å; R189-E311 PolarHBondContact NH1-OE1 3.05Å; R189-E311 IonicContact NH1-OE2 3.49Å; R189-E311 IonicContact NH2-OE1 3.11Å; R189-E311 PolarHBondContact NH2-OE1 3.38Å; L301-E311 WeakPolarHBondContact CD2-OE2 3.15Å; L301-E311 PolarHBondContact O-N 2.84Å; L309-E311 HydrophobicContact CB-CG 4.42Å; L309-E311 PolarHBondContact O-N 3.16Å; L309-E311 VanDerWaalsContact O-N 3.14Å; E311-N397 PolarHBondContact O-N 3.48Å; E311-C401 VanDerWaalsContact CB-SG 3.58Å; E311-C401 PolarHBondContact O-SG 2.78Å; E311-Y404 HydrophobicContact CG-CD2 4.09Å; E311-Y404 HydrophobicContact CG-CE2 3.94Å; E311-Y404 WeakPolarHBondContact OE1-CD2 3.44Å
312I98.9Very high96.3Very high0 Ų067.1 Ų67.10%040%0.404CS..EExtended strand (participates in β ladder)trans-132.4154.1178.666.1177.6000111L200 L298 L301 S302 L314 I394 T395L200-I312 HydrophobicContact CD1-CG2 4.13Å; L200-I312 HydrophobicContact CD2-CG2 3.95Å; L298-I312 HydrophobicContact CD2-CD1 3.76Å; L301-I312 HydrophobicContact CB-CD1 3.82Å; L301-I312 HydrophobicContact CB-CG1 3.82Å; L301-I312 HydrophobicContact CD1-CD1 4.45Å; L301-I312 PolarHBondContact O-N 3.22Å; S302-I312 WeakPolarHBondContact CA-O 3.1Å; I312-L314 HydrophobicContact CD1-CD2 3.82Å; I312-L314 HydrophobicContact CG1-CD2 4.29Å; I312-I394 HydrophobicContact CB-CG2 4.16Å; I312-I394 HydrophobicContact CD1-CG2 4.39Å; I312-I394 HydrophobicContact CG2-CG2 4.46Å; I312-T395 CarbonylContact C-O 3.59Å; I312-T395 VanDerWaalsContact CA-O 3.31Å; I312-T395 WeakPolarHBondContact CA-O 3.47Å; I312-T395 WeakPolarHBondContact CB-O 3.36Å
313N98.8Very high96.2Very high58 Ų5872.7 Ų72.731%0.3143%0.431SS..EExtended strand (participates in β ladder)trans-108.8129.1167.8-43.9-63.3000109I394 T395 N397N313-I394 WeakPolarHBondContact O-CA 3.45Å; N313-T395 WeakPolarHBondContact CB-OG1 3.31Å; N313-T395 PolarHBondContact N-O 3.08Å; N313-T395 PolarHBondContact ND2-OG1 2.83Å; N313-T395 VanDerWaalsContact ND2-OG1 3.08Å; N313-T395 PolarHBondContact O-N 3.21Å; N313-N397 PolarHBondContact ND2-OD1 3.11Å; N313-N397 PolarHBondContact OD1-ND2 2.88Å; N313-N397 PolarHBondContact OD1-OD1 3.4Å
314L98.7Very high96Very high26 Ų2675.5 Ų75.514%0.13644%0.441CS..  trans-91.9152.5170.3-51.3-174.9000109.3I312 E316 P330 P333 I394I312-L314 HydrophobicContact CD1-CD2 3.82Å; I312-L314 HydrophobicContact CG1-CD2 4.29Å; L314-E316 PolarHBondContact O-N 3.41Å; L314-P330 HydrophobicContact CD1-CB 3.61Å; L314-P333 HydrophobicContact CD1-CG 3.84Å; L314-I394 HydrophobicContact CD2-CD1 3.78Å; L314-I394 HydrophobicContact CD2-CG1 3.75Å
315P98.3Very high95.7Very high40 Ų4079.3 Ų79.326%0.2646%0.457SS..  trans-53.1133.9173.8-28.437000113L317 C390P315-L317 HydrophobicContact CB-CD2 4.3Å; P315-L317 PolarHBondContact O-N 2.93Å; P315-C390 WeakPolarHBondContact CD-O 3.45Å
316E96.8Very high95.5Very high156 Ų15679.4 Ų79.473%0.72947%0.467SS*.  trans-83.7104178.2-58.4-171167.400110.5L314 V328L314-E316 PolarHBondContact O-N 3.41Å; E316-V328 HydrophobicContact CB-CG1 3.82Å; E316-V328 HydrophobicContact CB-CG2 4.25Å; E316-V328 HydrophobicContact CG-CB 4.26Å; E316-V328 HydrophobicContact CG-CG1 3.87Å; E316-V328 HydrophobicContact CG-CG2 4.12Å
317L95.1Very high95.5Very high81 Ų8172 Ų7242%0.42444%0.441SS..  trans-99.7-29-170.9-61.2173.9000114.4P315 V331 V332 K389P315-L317 HydrophobicContact CB-CD2 4.3Å; P315-L317 PolarHBondContact O-N 2.93Å; L317-V331 HydrophobicContact CB-CG2 4.48Å; L317-V331 HydrophobicContact CD1-CG2 4.38Å; L317-V332 HydrophobicContact CD1-CB 4.44Å; L317-V332 HydrophobicContact CD1-CG2 3.22Å; L317-K389 HydrophobicContact CD1-CB 3.86Å; L317-K389 HydrophobicContact CD2-CB 4.49Å
318Q92.4Very high95.5Very high124 Ų12469.5 Ų69.558%0.57942%0.415SS*.SBendtrans-158.8158-179.560.5-176.462.500110.8G320 V331Q318-G320 PolarHBondContact O-N 3.19Å; Q318-V331 HydrophobicContact CG-CG1 4.28Å; Q318-V331 HydrophobicContact CG-CG2 4.18Å
319A88.6Confident95.5Very high85 Ų8569.9 Ų69.970%0.70241%0.41SS*.BIsolated β-bridgetrans-57.3126.4171.400000110
320G86.3Confident95.4Very high15 Ų1569.7 Ų69.716%0.15541%0.411CS..SBendtrans-85.1-8.3-174.700000114.3Q318 K327 N329Q318-G320 PolarHBondContact O-N 3.19Å; G320-K327 VanDerWaalsContact CA-O 3.25Å; G320-K327 WeakPolarHBondContact CA-O 3.06Å; G320-K327 PolarHBondContact N-O 3.47Å; G320-N329 WeakPolarHBondContact CA-ND2 3.25Å; G320-N329 PolarHBondContact O-ND2 3.25Å
321S93.6Very high95.4Very high32 Ų3269.4 Ų69.422%0.22441%0.411CS..  trans-153.8140179.6-172.30000112.2I323 M324S321-I323 VanDerWaalsContact C-N 3.27Å; S321-I323 WeakPolarHBondContact OG-CG2 3.13Å; S321-I323 PolarHBondContact OG-N 3.23Å; S321-M324 PolarHBondContact OG-N 3.48Å
322S94.4Very high95.4Very high135 Ų13569.8 Ų69.894%0.94441%0.413SS*.SBendtrans-74.5-15.5169.853.80000113.5
323I96.6Very high95.4Very high142 Ų14269.9 Ų69.973%0.72841%0.413SS*.SBendtrans-122.8-24.8-173.1-167.3169.7000114.2S321 P325S321-I323 VanDerWaalsContact C-N 3.27Å; S321-I323 WeakPolarHBondContact OG-CG2 3.13Å; S321-I323 PolarHBondContact OG-N 3.23Å; I323-P325 VanDerWaalsContact O-CD 3.29Å; I323-P325 WeakPolarHBondContact O-CD 3.24Å
324M95Very high95.4Very high97 Ų9770.3 Ų70.348%0.47841%0.414SS..SBendtrans-101100.7176.9-67.8178-81.100110S321 K327S321-M324 PolarHBondContact OG-N 3.48Å; M324-K327 HydrophobicContact CB-CB 4.03Å; M324-K327 HydrophobicContact CB-CD 4.27Å; M324-K327 HydrophobicContact CE-CD 3.36Å; M324-K327 PolarHBondContact O-N 2.91Å; M324-K327 HydrophobicContact SD-CD 3.79Å
325P91.7Very high95.4Very high124 Ų12472.1 Ų72.181%0.80543%0.426SS*.THydrogen-bonded Turntrans-56.7145.9176.9-22.434.3000111.3I323 K327I323-P325 VanDerWaalsContact O-CD 3.29Å; I323-P325 WeakPolarHBondContact O-CD 3.24Å; P325-K327 PolarHBondContact O-N 3.31Å; P325-K327 VanDerWaalsContact O-N 3.13Å
326A92.2Very high95.5Very high106 Ų10670.3 Ų70.388%0.87641%0.414SS*.THydrogen-bonded Turntrans64.12.1-18000000116.9V328A326-V328 PolarHBondContact O-N 2.86Å
327K97Very high95.6Very high87 Ų8763.1 Ų63.138%0.37838%0.38SS..  trans-73.7129.2173.7-172.4173-169.3-790110.6G320 M324 P325 N329G320-K327 VanDerWaalsContact CA-O 3.25Å; G320-K327 WeakPolarHBondContact CA-O 3.06Å; G320-K327 PolarHBondContact N-O 3.47Å; M324-K327 HydrophobicContact CB-CB 4.03Å; M324-K327 HydrophobicContact CB-CD 4.27Å; M324-K327 HydrophobicContact CE-CD 3.36Å; M324-K327 PolarHBondContact O-N 2.91Å; M324-K327 HydrophobicContact SD-CD 3.79Å; P325-K327 PolarHBondContact O-N 3.31Å; P325-K327 VanDerWaalsContact O-N 3.13Å; K327-N329 PolarHBondContact NZ-OD1 2.8Å
328V96.3Very high95.7Very high55 Ų5565 Ų6533%0.33339%0.387SS..BIsolated β-bridgetrans-120.4140.3171.3-176.60000109.4E316 A326E316-V328 HydrophobicContact CB-CG1 3.82Å; E316-V328 HydrophobicContact CB-CG2 4.25Å; E316-V328 HydrophobicContact CG-CB 4.26Å; E316-V328 HydrophobicContact CG-CG1 3.87Å; E316-V328 HydrophobicContact CG-CG2 4.12Å; A326-V328 PolarHBondContact O-N 2.86Å
329N98Very high96.1Very high37 Ų3760.2 Ų60.220%0.19837%0.366CS..  trans-112.2155-175.7-62.9-13.5000111.5G320 K327 V331G320-N329 WeakPolarHBondContact CA-ND2 3.25Å; G320-N329 PolarHBondContact O-ND2 3.25Å; K327-N329 PolarHBondContact NZ-OD1 2.8Å; N329-V331 HydrophobicContact CB-CG1 3.8Å; N329-V331 PolarHBondContact O-N 3.15Å
330P98.3Very high96.6Very high30 Ų3056.1 Ų56.120%0.19533%0.333CS..  trans-7959.5175.537-38.9000111.9R299 L314 V332 P333 E334R299-P330 HydrophobicContact CB-CG 4.2Å; R299-P330 HydrophobicContact CG-CB 3.9Å; R299-P330 HydrophobicContact CG-CG 3.72Å; L314-P330 HydrophobicContact CD1-CB 3.61Å; P330-V332 VanDerWaalsContact C-N 3.29Å; P330-V332 PolarHBondContact O-N 3.33Å; P330-P333 HydrophobicContact CB-CG 4.4Å; P330-P333 VanDerWaalsContact O-CD 3.26Å; P330-P333 WeakPolarHBondContact O-CD 3.28Å; P330-E334 WeakPolarHBondContact O-CG 3.36Å; P330-E334 PolarHBondContact O-N 2.84Å
331V98.4Very high97.2Very high28 Ų2861.1 Ų61.117%0.1735%0.35CS..Hα-helixtrans-64.9-26.7-168.6-61.30000114.4L317 Q318 N329 E334 V335L317-V331 HydrophobicContact CB-CG2 4.48Å; L317-V331 HydrophobicContact CD1-CG2 4.38Å; Q318-V331 HydrophobicContact CG-CG1 4.28Å; Q318-V331 HydrophobicContact CG-CG2 4.18Å; N329-V331 HydrophobicContact CB-CG1 3.8Å; N329-V331 PolarHBondContact O-N 3.15Å; V331-E334 PolarHBondContact O-N 3.06Å; V331-V335 PolarHBondContact O-N 2.9Å
332V98.8Very high97.4Very high8 Ų863.8 Ų63.85%0.04836%0.358CS..Hα-helixtrans-73.5-51.4178.7171.80000111.4L317 P330 E334 V335 V336 L386 K389 C390L317-V332 HydrophobicContact CD1-CB 4.44Å; L317-V332 HydrophobicContact CD1-CG2 3.22Å; P330-V332 VanDerWaalsContact C-N 3.29Å; P330-V332 PolarHBondContact O-N 3.33Å; V332-E334 PolarHBondContact O-N 3.38Å; V332-V335 VanDerWaalsContact O-CG1 3.29Å; V332-V335 WeakPolarHBondContact O-CG1 3.44Å; V332-V335 PolarHBondContact O-N 3.16Å; V332-V336 WeakPolarHBondContact O-CG2 3.42Å; V332-V336 PolarHBondContact O-N 2.97Å; V332-V336 VanDerWaalsContact O-N 3.1Å; V332-L386 HydrophobicContact CG1-CB 4.49Å; V332-L386 HydrophobicContact CG1-CD1 3.9Å; V332-K389 HydrophobicContact CG2-CB 3.77Å; V332-C390 HydrophobicContact CB-CB 4.1Å; V332-C390 HydrophobicContact CG1-CB 3.73Å
333P98.9Very high97.6Very high1 Ų157.4 Ų57.41%0.00631%0.313CS..Hα-helixtrans-52.4-38.4167.5-30.835.5000114C295 L298 R299 L314 P330 V336 N337C295-P333 HydrophobicContact CB-CB 3.94Å; L298-P333 HydrophobicContact CB-CG 4.24Å; R299-P333 HydrophobicContact CG-CB 3.53Å; R299-P333 HydrophobicContact CG-CG 4.31Å; L314-P333 HydrophobicContact CD1-CG 3.84Å; P330-P333 HydrophobicContact CB-CG 4.4Å; P330-P333 VanDerWaalsContact O-CD 3.26Å; P330-P333 WeakPolarHBondContact O-CD 3.28Å; P333-V336 PolarHBondContact O-N 3.42Å; P333-N337 PolarHBondContact O-N 3.28Å; P333-N337 PolarHBondContact O-OD1 3.11Å; P333-N337 VanDerWaalsContact O-OD1 3.11Å
334E98.8Very high97.7Very high68 Ų6853.4 Ų53.432%0.31829%0.293SS..Hα-helixtrans-62.6-45.3177.9-70.2168.1-171.100113P330 V331 V332 V336 N337 Q338P330-E334 WeakPolarHBondContact O-CG 3.36Å; P330-E334 PolarHBondContact O-N 2.84Å; V331-E334 PolarHBondContact O-N 3.06Å; V332-E334 PolarHBondContact O-N 3.38Å; E334-V336 VanDerWaalsContact C-N 3.34Å; E334-N337 PolarHBondContact O-N 2.89Å; E334-Q338 WeakPolarHBondContact O-CG 3.47Å; E334-Q338 PolarHBondContact O-N 3.22Å; E334-Q338 VanDerWaalsContact O-N 3.15Å; E334-Q338 PolarHBondContact O-NE2 3.03Å
335V98.8Very high97.9Very high64 Ų6450.5 Ų50.539%0.38829%0.287SS..Hα-helixtrans-69.6-34.1178.472.50000111.7V331 V332 Q338 V339V331-V335 PolarHBondContact O-N 2.9Å; V332-V335 VanDerWaalsContact O-CG1 3.29Å; V332-V335 WeakPolarHBondContact O-CG1 3.44Å; V332-V335 PolarHBondContact O-N 3.16Å; V335-Q338 WeakPolarHBondContact O-CB 3.47Å; V335-Q338 PolarHBondContact O-N 2.73Å; V335-V339 WeakPolarHBondContact O-CG2 3.4Å; V335-V339 PolarHBondContact O-N 3.25Å
336V98.9Very high98.3Very high1 Ų144.8 Ų44.81%0.00625%0.25CS..Hα-helixtrans-66.4-38.9174.4177.80000111M291 C295 V332 P333 E334 Q338 V339 C340 A382 L386M291-V336 HydrophobicContact CE-CG1 3.94Å; C295-V336 VanDerWaalsContact SG-CB 3.6Å; C295-V336 WeakPolarHBondContact SG-CG1 3.47Å; V332-V336 WeakPolarHBondContact O-CG2 3.42Å; V332-V336 PolarHBondContact O-N 2.97Å; V332-V336 VanDerWaalsContact O-N 3.1Å; P333-V336 PolarHBondContact O-N 3.42Å; E334-V336 VanDerWaalsContact C-N 3.34Å; V336-Q338 VanDerWaalsContact C-N 3.33Å; V336-Q338 PolarHBondContact O-N 3.21Å; V336-V339 PolarHBondContact O-N 3.07Å; V336-C340 PolarHBondContact O-N 2.9Å; V336-C340 PolarHBondContact O-SG 3.04Å; V336-A382 HydrophobicContact CG1-CB 4.48Å; V336-A382 HydrophobicContact CG2-CB 4.27Å; V336-L386 HydrophobicContact CG1-CD2 4.42Å; V336-L386 HydrophobicContact CG2-CB 4Å; V336-L386 HydrophobicContact CG2-CD1 4.27Å; V336-L386 HydrophobicContact CG2-CD2 4.43Å; V336-L386 HydrophobicContact CG2-CG 4.45Å
337N98.9Very high98.6Very high5 Ų540.2 Ų40.23%0.02721%0.211CC..Hα-helixtrans-57.9-45.8172.3-74.7137.3000111.4S292 N296 R299 P333 E334 V339 C340 F341S292-N337 WeakPolarHBondContact CA-ND2 3.42Å; S292-N337 PolarHBondContact O-ND2 2.73Å; S292-N337 PolarHBondContact OG-ND2 2.85Å; N296-N337 PolarHBondContact OD1-ND2 3.34Å; N296-N337 PolarHBondContact OD1-OD1 3.44Å; R299-N337 PolarHBondContact NE-OD1 2.9Å; R299-N337 PolarHBondContact NH2-OD1 2.76Å; P333-N337 PolarHBondContact O-N 3.28Å; P333-N337 PolarHBondContact O-OD1 3.11Å; P333-N337 VanDerWaalsContact O-OD1 3.11Å; E334-N337 PolarHBondContact O-N 2.89Å; N337-V339 PolarHBondContact O-N 3.33Å; N337-C340 WeakPolarHBondContact O-CB 3.33Å; N337-C340 PolarHBondContact O-N 3.45Å; N337-C340 VanDerWaalsContact O-N 3.16Å; N337-F341 HydrophobicContact CB-CE2 4.15Å; N337-F341 HydrophobicContact CB-CZ 3.95Å; N337-F341 WeakPolarHBondContact O-CD1 3.28Å; N337-F341 VanDerWaalsContact O-CD2 3.31Å; N337-F341 WeakPolarHBondContact O-CD2 3.18Å; N337-F341 WeakPolarHBondContact O-CG 3.44Å; N337-F341 PolarHBondContact O-N 3.44Å
338Q98.9Very high98.7Very high120 Ų12040 Ų4056%0.56122%0.217SC*.Hα-helixtrans-61-43.6177.4-69.8168.776.100112.4E334 V335 V336 C340 F341 K342E334-Q338 WeakPolarHBondContact O-CG 3.47Å; E334-Q338 PolarHBondContact O-N 3.22Å; E334-Q338 VanDerWaalsContact O-N 3.15Å; E334-Q338 PolarHBondContact O-NE2 3.03Å; V335-Q338 WeakPolarHBondContact O-CB 3.47Å; V335-Q338 PolarHBondContact O-N 2.73Å; V336-Q338 VanDerWaalsContact C-N 3.33Å; V336-Q338 PolarHBondContact O-N 3.21Å; Q338-C340 VanDerWaalsContact C-N 3.31Å; Q338-C340 PolarHBondContact O-N 2.84Å; Q338-F341 PolarHBondContact O-N 3.22Å; Q338-K342 PolarHBondContact O-N 3.07Å
339V98.9Very high98.8Very high24 Ų2440 Ų4015%0.14522%0.217CC..Hα-helixtrans-57-46.2172.9165.10000110.9V335 V336 N337 F341 K342 V343 I378 L379 A382V335-V339 WeakPolarHBondContact O-CG2 3.4Å; V335-V339 PolarHBondContact O-N 3.25Å; V336-V339 PolarHBondContact O-N 3.07Å; N337-V339 PolarHBondContact O-N 3.33Å; V339-F341 VanDerWaalsContact C-N 3.31Å; V339-F341 PolarHBondContact O-N 3.46Å; V339-K342 PolarHBondContact O-N 2.91Å; V339-K342 VanDerWaalsContact O-N 3.16Å; V339-V343 HydrophobicContact CG1-CG2 4.5Å; V339-V343 WeakPolarHBondContact O-CG2 3.49Å; V339-V343 PolarHBondContact O-N 3.13Å; V339-I378 HydrophobicContact CG1-CB 4.04Å; V339-I378 HydrophobicContact CG1-CD1 4.01Å; V339-I378 HydrophobicContact CG1-CG1 3.74Å; V339-I378 HydrophobicContact CG2-CB 4.39Å; V339-L379 HydrophobicContact CG1-CD2 4.34Å; V339-A382 HydrophobicContact CB-CB 4.35Å; V339-A382 HydrophobicContact CG1-CB 3.95Å; V339-A382 HydrophobicContact CG2-CB 4.39Å
340C98.9Very high98.8Very high0 Ų038.2 Ų38.20%021%0.208CC..Hα-helixtrans-61.4-40179.1-64.60000112A288 V336 N337 Q338 V343 I344A288-C340 HydrophobicContact CB-CB 3.98Å; A288-C340 WeakPolarHBondContact O-CB 3.36Å; A288-C340 PolarHBondContact O-SG 3.41Å; V336-C340 PolarHBondContact O-N 2.9Å; V336-C340 PolarHBondContact O-SG 3.04Å; N337-C340 WeakPolarHBondContact O-CB 3.33Å; N337-C340 PolarHBondContact O-N 3.45Å; N337-C340 VanDerWaalsContact O-N 3.16Å; Q338-C340 VanDerWaalsContact C-N 3.31Å; Q338-C340 PolarHBondContact O-N 2.84Å; C340-V343 PolarHBondContact O-N 2.7Å; C340-I344 WeakPolarHBondContact O-CD1 3.38Å; C340-I344 VanDerWaalsContact O-CG1 3.28Å; C340-I344 WeakPolarHBondContact O-CG1 3.36Å; C340-I344 PolarHBondContact O-N 2.88Å; C340-I344 VanDerWaalsContact O-N 3.11Å
341F98.9Very high98.9Very high119 Ų11939.9 Ų39.952%0.52222%0.217SC..Hα-helixtrans-64-41.6175.7-53.1-29.5000111.7N337 Q338 V339 I344 G345N337-F341 HydrophobicContact CB-CE2 4.15Å; N337-F341 HydrophobicContact CB-CZ 3.95Å; N337-F341 WeakPolarHBondContact O-CD1 3.28Å; N337-F341 VanDerWaalsContact O-CD2 3.31Å; N337-F341 WeakPolarHBondContact O-CD2 3.18Å; N337-F341 WeakPolarHBondContact O-CG 3.44Å; N337-F341 PolarHBondContact O-N 3.44Å; Q338-F341 PolarHBondContact O-N 3.22Å; V339-F341 VanDerWaalsContact C-N 3.31Å; V339-F341 PolarHBondContact O-N 3.46Å; F341-I344 PolarHBondContact O-N 3.14Å; F341-G345 PolarHBondContact O-N 3.24Å
342K98.9Very high98.9Very high89 Ų8944.3 Ų44.339%0.38724%0.238SC..Hα-helixtrans-63.4-41.7178-177.355.1171.91360112.1Q338 V339 I344 G345 N346 E374 I378Q338-K342 PolarHBondContact O-N 3.07Å; V339-K342 PolarHBondContact O-N 2.91Å; V339-K342 VanDerWaalsContact O-N 3.16Å; K342-I344 VanDerWaalsContact C-N 3.34Å; K342-I344 PolarHBondContact O-N 3.12Å; K342-G345 PolarHBondContact O-N 3.24Å; K342-N346 PolarHBondContact NZ-OD1 3.44Å; K342-N346 PolarHBondContact O-N 2.91Å; K342-N346 PolarHBondContact O-OD1 2.85Å; K342-E374 VanDerWaalsContact CE-CD 3.49Å; K342-E374 WeakPolarHBondContact CE-OE1 3.35Å; K342-E374 VanDerWaalsContact CE-OE2 3.32Å; K342-E374 WeakPolarHBondContact CE-OE2 3.4Å; K342-E374 IonicContact NZ-OE1 2.74Å; K342-E374 IonicContact NZ-OE2 3.77Å; K342-E374 PolarHBondContact NZ-OE2 3.26Å; K342-I378 HydrophobicContact CB-CD1 4.09Å; K342-I378 HydrophobicContact CG-CD1 3.85Å
343V99Very high98.9Very high0 Ų044.3 Ų44.30%024%0.239CC..Hα-helixtrans-60.2-43.4173.1174.30000111.2H281 L284 A288 V339 C340 G345 N346 D347 I378 L379H281-V343 PolarHBondContact CE1-O 2.94Å; H281-V343 VanDerWaalsContact CE1-O 3.28Å; L284-V343 HydrophobicContact CB-CG1 4.29Å; A288-V343 HydrophobicContact CB-CB 3.99Å; A288-V343 HydrophobicContact CB-CG1 3.9Å; V339-V343 HydrophobicContact CG1-CG2 4.5Å; V339-V343 WeakPolarHBondContact O-CG2 3.49Å; V339-V343 PolarHBondContact O-N 3.13Å; C340-V343 PolarHBondContact O-N 2.7Å; V343-G345 VanDerWaalsContact C-N 3.3Å; V343-G345 PolarHBondContact O-N 3.49Å; V343-N346 PolarHBondContact O-N 2.94Å; V343-D347 PolarHBondContact O-N 3.36Å; V343-I378 HydrophobicContact CG2-CD1 4.01Å; V343-I378 HydrophobicContact CG2-CG1 4.18Å; V343-L379 HydrophobicContact CG1-CD1 4.16Å; V343-L379 HydrophobicContact CG2-CD1 3.88Å; V343-L379 HydrophobicContact CG2-CD2 4.04Å; V343-L379 HydrophobicContact CG2-CG 3.69Å
344I98.9Very high98.9Very high59 Ų5945.3 Ų45.330%0.30325%0.247SC..Hα-helixtrans-63.6-38.3178.1-65.7161.3000111.1K285 A288 V289 C340 F341 K342 D347 T348K285-I344 HydrophobicContact CG-CG1 4.25Å; A288-I344 HydrophobicContact CB-CG1 4.48Å; V289-I344 HydrophobicContact CG2-CD1 4.2Å; C340-I344 WeakPolarHBondContact O-CD1 3.38Å; C340-I344 VanDerWaalsContact O-CG1 3.28Å; C340-I344 WeakPolarHBondContact O-CG1 3.36Å; C340-I344 PolarHBondContact O-N 2.88Å; C340-I344 VanDerWaalsContact O-N 3.11Å; F341-I344 PolarHBondContact O-N 3.14Å; K342-I344 VanDerWaalsContact C-N 3.34Å; K342-I344 PolarHBondContact O-N 3.12Å; I344-D347 WeakPolarHBondContact O-CB 3.37Å; I344-D347 PolarHBondContact O-N 3.05Å; I344-T348 PolarHBondContact O-N 3.05Å; I344-T348 PolarHBondContact O-OG1 3.3Å
345G98.9Very high98.9Very high36 Ų3649 Ų4937%0.37126%0.264SS..Hα-helixtrans-61.6-46.6171.500000112.5F341 K342 V343 D347 T348 T349F341-G345 PolarHBondContact O-N 3.24Å; K342-G345 PolarHBondContact O-N 3.24Å; V343-G345 VanDerWaalsContact C-N 3.3Å; V343-G345 PolarHBondContact O-N 3.49Å; G345-D347 VanDerWaalsContact C-N 3.25Å; G345-D347 PolarHBondContact O-N 3.24Å; G345-T348 WeakPolarHBondContact O-CB 3.49Å; G345-T348 PolarHBondContact O-N 3.03Å; G345-T349 PolarHBondContact O-N 2.96Å; G345-T349 VanDerWaalsContact O-N 3.15Å
346N98.9Very high98.9Very high4 Ų447.4 Ų47.42%0.02126%0.257CS..Hα-helixtrans-61.6-32.4177.3-75.56.3000112.5K342 V343 T348 T349 V350 A371 E374 S375K342-N346 PolarHBondContact NZ-OD1 3.44Å; K342-N346 PolarHBondContact O-N 2.91Å; K342-N346 PolarHBondContact O-OD1 2.85Å; V343-N346 PolarHBondContact O-N 2.94Å; N346-T348 VanDerWaalsContact C-N 3.27Å; N346-T348 PolarHBondContact O-N 3.22Å; N346-T349 WeakPolarHBondContact O-CB 3.2Å; N346-T349 PolarHBondContact O-N 3.13Å; N346-V350 WeakPolarHBondContact O-CG2 3.15Å; N346-V350 PolarHBondContact O-N 3.39Å; N346-A371 HydrophobicContact CB-CB 4.08Å; N346-A371 PolarHBondContact ND2-O 3.25Å; N346-E374 PolarHBondContact ND2-OE2 3.23Å; N346-E374 PolarHBondContact OD1-OE2 2.87Å; N346-S375 WeakPolarHBondContact CB-OG 3.35Å; N346-S375 PolarHBondContact ND2-OG 3.08Å
347D98.9Very high98.8Very high10 Ų1049 Ų495%0.05327%0.274CS..Hα-helixtrans-61.9-36.8173.6-169.681.6000112.4H281 G282 K285 V343 I344 G345 V350 T351H281-D347 VanDerWaalsContact C-OD1 3.23Å; H281-D347 WeakPolarHBondContact CE1-CA 3.38Å; H281-D347 PolarHBondContact CE1-N 3.35Å; H281-D347 IonicContact CE1-OD1 3.68Å; H281-D347 IonicContact CG-OD1 2.66Å; H281-D347 WeakPolarHBondContact ND1-CA 3.44Å; H281-D347 VanDerWaalsContact ND1-CB 3.27Å; H281-D347 WeakPolarHBondContact ND1-CB 3.39Å; H281-D347 IonicContact ND1-OD1 2.72Å; H281-D347 PolarHBondContact ND1-OD1 3.46Å; G282-D347 PolarHBondContact N-OD1 2.61Å; K285-D347 HydrophobicContact CB-CB 4.26Å; K285-D347 HydrophobicContact CD-CB 4.22Å; K285-D347 VanDerWaalsContact CD-OD2 3.29Å; K285-D347 WeakPolarHBondContact CD-OD2 3.4Å; K285-D347 WeakPolarHBondContact CE-OD2 3.31Å; K285-D347 IonicContact NZ-OD2 2.68Å; K285-D347 PolarHBondContact NZ-OD2 3.15Å; V343-D347 PolarHBondContact O-N 3.36Å; I344-D347 WeakPolarHBondContact O-CB 3.37Å; I344-D347 PolarHBondContact O-N 3.05Å; G345-D347 VanDerWaalsContact C-N 3.25Å; G345-D347 PolarHBondContact O-N 3.24Å; D347-V350 PolarHBondContact O-N 3.26Å; D347-T351 WeakPolarHBondContact O-CB 3.48Å; D347-T351 PolarHBondContact O-N 3.07Å; D347-T351 PolarHBondContact O-OG1 2.88Å
348T98.9Very high98.8Very high83 Ų8355.7 Ų55.751%0.50931%0.305SS..Hα-helixtrans-69-41.7176.2-55.30000109.9I344 G345 N346 T351 M352I344-T348 PolarHBondContact O-N 3.05Å; I344-T348 PolarHBondContact O-OG1 3.3Å; G345-T348 WeakPolarHBondContact O-CB 3.49Å; G345-T348 PolarHBondContact O-N 3.03Å; N346-T348 VanDerWaalsContact C-N 3.27Å; N346-T348 PolarHBondContact O-N 3.22Å; T348-T351 PolarHBondContact O-N 3.43Å; T348-M352 WeakPolarHBondContact O-CG 3.44Å; T348-M352 PolarHBondContact O-N 3.25Å
349T98.9Very high98.8Very high54 Ų5457.2 Ų57.233%0.33132%0.316SS..Hα-helixtrans-57.9-48.5173-57.30000111.8G345 N346 T351 M352 A353 V367 A371G345-T349 PolarHBondContact O-N 2.96Å; G345-T349 VanDerWaalsContact O-N 3.15Å; N346-T349 WeakPolarHBondContact O-CB 3.2Å; N346-T349 PolarHBondContact O-N 3.13Å; T349-T351 VanDerWaalsContact C-N 3.31Å; T349-T351 PolarHBondContact O-N 2.95Å; T349-M352 PolarHBondContact O-N 3.45Å; T349-A353 VanDerWaalsContact O-CB 3.32Å; T349-A353 WeakPolarHBondContact O-CB 3.2Å; T349-A353 PolarHBondContact O-N 3.14Å; T349-V367 HydrophobicContact CG2-CG2 3.63Å; T349-A371 HydrophobicContact CG2-CB 4.42Å
350V98.9Very high98.8Very high0 Ų060.6 Ų60.60%033%0.33CS..Hα-helixtrans-60.4-42.6177.4171.60000111V278 H281 N346 D347 A353 A354 I368 A371 M372V278-V350 HydrophobicContact CG2-CG1 4.43Å; H281-V350 HydrophobicContact CB-CB 4.38Å; H281-V350 HydrophobicContact CB-CG1 4.13Å; H281-V350 HydrophobicContact CB-CG2 4.33Å; N346-V350 WeakPolarHBondContact O-CG2 3.15Å; N346-V350 PolarHBondContact O-N 3.39Å; D347-V350 PolarHBondContact O-N 3.26Å; V350-A353 PolarHBondContact O-N 3.46Å; V350-A354 VanDerWaalsContact O-CB 3.27Å; V350-A354 WeakPolarHBondContact O-CB 3.44Å; V350-A354 PolarHBondContact O-N 3.15Å; V350-I368 HydrophobicContact CG1-CG2 4.32Å; V350-I368 HydrophobicContact CG2-CG2 4.42Å; V350-A371 HydrophobicContact CG2-CB 3.8Å; V350-M372 HydrophobicContact CG2-CG 4.31Å
351T98.9Very high98.7Very high65 Ų6562 Ų6240%0.39934%0.338SS..Hα-helixtrans-60.9-49178.6-58.80000111.6D347 T348 T349 A353 A354 E355D347-T351 WeakPolarHBondContact O-CB 3.48Å; D347-T351 PolarHBondContact O-N 3.07Å; D347-T351 PolarHBondContact O-OG1 2.88Å; T348-T351 PolarHBondContact O-N 3.43Å; T349-T351 VanDerWaalsContact C-N 3.31Å; T349-T351 PolarHBondContact O-N 2.95Å; T351-A353 PolarHBondContact O-N 3.47Å; T351-A354 PolarHBondContact O-N 2.89Å; T351-E355 PolarHBondContact O-N 3.02Å; T351-E355 VanDerWaalsContact O-N 3.16Å
352M98.9Very high98.7Very high121 Ų12156.4 Ų56.460%0.59631%0.313SS*.Hα-helixtrans-66.9-37180-66.3-56.7-56.400112.2T348 T349 A356T348-M352 WeakPolarHBondContact O-CG 3.44Å; T348-M352 PolarHBondContact O-N 3.25Å; T349-M352 PolarHBondContact O-N 3.45Å; M352-A356 PolarHBondContact O-N 2.99Å
353A98.8Very high98.7Very high8 Ų855.1 Ų55.17%0.06631%0.313CS..Hα-helixtrans-70.1-38.8177.700000112.4T349 V350 T351 A356 N362 M364 V367 I368T349-A353 VanDerWaalsContact O-CB 3.32Å; T349-A353 WeakPolarHBondContact O-CB 3.2Å; T349-A353 PolarHBondContact O-N 3.14Å; V350-A353 PolarHBondContact O-N 3.46Å; T351-A353 PolarHBondContact O-N 3.47Å; A353-A356 PolarHBondContact O-N 3.13Å; A353-N362 PolarHBondContact O-ND2 2.93Å; A353-M364 HydrophobicContact CB-CB 3.83Å; A353-V367 HydrophobicContact CB-CG1 3.83Å; A353-I368 HydrophobicContact CB-CD1 3.98Å; A353-I368 HydrophobicContact CB-CG1 3.49Å; A353-I368 VanDerWaalsContact CB-CG1 3.49Å
354A98.7Very high98.7Very high21 Ų2158.8 Ų58.817%0.17433%0.331CS..Hα-helixtrans-67-36.4177.700000112.5C274 V278 V350 T351 A356 N362 I368C274-A354 HydrophobicContact CB-CB 3.88Å; V278-A354 HydrophobicContact CG2-CB 3.35Å; V350-A354 VanDerWaalsContact O-CB 3.27Å; V350-A354 WeakPolarHBondContact O-CB 3.44Å; V350-A354 PolarHBondContact O-N 3.15Å; T351-A354 PolarHBondContact O-N 2.89Å; A354-A356 VanDerWaalsContact C-N 3.29Å; A354-A356 PolarHBondContact O-N 2.81Å; A354-N362 PolarHBondContact O-ND2 3.36Å; A354-I368 HydrophobicContact CB-CD1 4.48Å
355E98.7Very high98.7Very high147 Ų14756.4 Ų56.469%0.68732%0.318SS*.Hα-helixtrans-66.3-30.1176.9-173.6-85.9160.200112.9T351 G357T351-E355 PolarHBondContact O-N 3.02Å; T351-E355 VanDerWaalsContact O-N 3.16Å; E355-G357 PolarHBondContact O-N 3.33Å
356A98.7Very high98.7Very high29 Ų2955 Ų5524%0.2430%0.303CS..THydrogen-bonded Turntrans-76.516.2-175.600000115.2M352 A353 A354 M364M352-A356 PolarHBondContact O-N 2.99Å; A353-A356 PolarHBondContact O-N 3.13Å; A354-A356 VanDerWaalsContact C-N 3.29Å; A354-A356 PolarHBondContact O-N 2.81Å; A356-M364 HydrophobicContact CB-CE 4.25Å; A356-M364 HydrophobicContact CB-CG 3.92Å
357G98.2Very high98.7Very high35 Ų3556.7 Ų56.736%0.36131%0.313SS..  trans-60.7139.1174.300000111.9E355 N362E355-G357 PolarHBondContact O-N 3.33Å; G357-N362 PolarHBondContact N-ND2 3.49Å
358Q98.6Very high98.7Very high146 Ų14656.2 Ų56.268%0.68231%0.311SS*.BIsolated β-bridgetrans-131113.2-177.9-69.7-175-37.600111.1Q360 L361Q358-Q360 PolarHBondContact O-N 3.28Å; Q358-L361 PolarHBondContact N-O 3.43Å; Q358-L361 VanDerWaalsContact N-O 3.07Å; Q358-L361 PolarHBondContact O-N 2.93Å; Q358-L361 VanDerWaalsContact O-O 3.08Å
359L97.9Very high98.6Very high151 Ų15152.3 Ų52.379%0.79129%0.287SS*.THydrogen-bonded Turntrans55.8-117.2178.9-54173.9000111L361L359-L361 PolarHBondContact O-N 2.98Å
360Q98.5Very high98.6Very high95 Ų9550.5 Ų50.544%0.44428%0.275SS..THydrogen-bonded Turntrans-840.3-171-7665.556.600114.8I235 Q358I235-Q360 HydrophobicContact CB-CB 4.01Å; I235-Q360 HydrophobicContact CB-CG 3.96Å; I235-Q360 HydrophobicContact CG2-CB 3.8Å; I235-Q360 HydrophobicContact CG2-CG 4.07Å; Q358-Q360 PolarHBondContact O-N 3.28Å
361L98.7Very high98.6Very high30 Ų3050.5 Ų50.516%0.15728%0.275CS..BIsolated β-bridgetrans-153.3146.5-176-168.265.2000112.3A102 N145 T271 Q358 L359 V363A102-L361 HydrophobicContact CB-CD2 3.85Å; N145-L361 HydrophobicContact CB-CD1 3.82Å; T271-L361 HydrophobicContact CG2-CD1 4.27Å; T271-L361 WeakPolarHBondContact O-CD1 3.31Å; Q358-L361 PolarHBondContact N-O 3.43Å; Q358-L361 VanDerWaalsContact N-O 3.07Å; Q358-L361 PolarHBondContact O-N 2.93Å; Q358-L361 VanDerWaalsContact O-O 3.08Å; L359-L361 PolarHBondContact O-N 2.98Å; L361-V363 HydrophobicContact CD2-CG1 4.13Å; L361-V363 HydrophobicContact CG-CG1 4.44Å
362N98.7Very high98.6Very high2 Ų247.4 Ų47.41%0.01126%0.256CS..  trans-97.6114.9161.4-169.5-38.7000109.8C274 A353 A354 G357 M364C274-N362 VanDerWaalsContact SG-CB 3.6Å; A353-N362 PolarHBondContact O-ND2 2.93Å; A354-N362 PolarHBondContact O-ND2 3.36Å; G357-N362 PolarHBondContact N-ND2 3.49Å; N362-M364 VanDerWaalsContact C-N 3.31Å; N362-M364 WeakPolarHBondContact OD1-CA 3.42Å; N362-M364 VanDerWaalsContact OD1-CB 3.29Å; N362-M364 WeakPolarHBondContact OD1-CB 3.41Å; N362-M364 PolarHBondContact OD1-N 3.01Å
363V98.5Very high98.6Very high62 Ų6242.3 Ų42.338%0.37623%0.23SC..THydrogen-bonded Turntrans-85.8-3.3-177.5-58.60000113.9A102 L361A102-V363 HydrophobicContact CB-CB 4.03Å; A102-V363 HydrophobicContact CB-CG1 4.05Å; L361-V363 HydrophobicContact CD2-CG1 4.13Å; L361-V363 HydrophobicContact CG-CG1 4.44Å
364M98.8Very high98.6Very high77 Ų7744.3 Ų44.338%0.37924%0.238SC..THydrogen-bonded Turntrans-93.25.4-175.5-50.6-57.117700113.1A353 A356 N362 P366 V367 I368A353-M364 HydrophobicContact CB-CB 3.83Å; A356-M364 HydrophobicContact CB-CE 4.25Å; A356-M364 HydrophobicContact CB-CG 3.92Å; N362-M364 VanDerWaalsContact C-N 3.31Å; N362-M364 WeakPolarHBondContact OD1-CA 3.42Å; N362-M364 VanDerWaalsContact OD1-CB 3.29Å; N362-M364 WeakPolarHBondContact OD1-CB 3.41Å; N362-M364 PolarHBondContact OD1-N 3.01Å; M364-P366 VanDerWaalsContact C-N 3.3Å; M364-V367 HydrophobicContact CB-CG1 4.26Å; M364-V367 WeakPolarHBondContact O-CG1 3.28Å; M364-V367 PolarHBondContact O-N 3.26Å; M364-V367 VanDerWaalsContact O-N 3.16Å; M364-I368 PolarHBondContact O-N 2.88Å
365E98.7Very high98.6Very high8 Ų843.3 Ų43.34%0.03723%0.23CC..Hα-helixtrans-54.5-33.6178.5-64.7-170.4135.600114.8Y148 Y277 V367 I368 G369Y148-E365 WeakPolarHBondContact CD1-OE2 3.24Å; Y148-E365 HydrophobicContact CE1-CB 3.73Å; Y148-E365 WeakPolarHBondContact CE1-OE2 3.48Å; Y277-E365 PolarHBondContact OH-OE1 3.49Å; E365-V367 VanDerWaalsContact C-N 3.34Å; E365-V367 PolarHBondContact O-N 3Å; E365-I368 WeakPolarHBondContact O-CB 3.37Å; E365-I368 PolarHBondContact O-N 3.23Å; E365-I368 VanDerWaalsContact O-N 3.17Å; E365-G369 PolarHBondContact O-N 3.48Å
366P98.7Very high98.6Very high7 Ų736.5 Ų36.55%0.04520%0.199CC..Hα-helixtrans-57.3-41.3175.8-29.537.6000114.2Q99 M364 G369 Q370Q99-P366 HydrophobicContact CG-CB 3.97Å; Q99-P366 HydrophobicContact CG-CG 3.91Å; M364-P366 VanDerWaalsContact C-N 3.3Å; P366-G369 PolarHBondContact O-N 3.31Å; P366-Q370 PolarHBondContact O-N 3.11Å
367V98.6Very high98.6Very high40 Ų4040.6 Ų40.624%0.24221%0.213CC..Hα-helixtrans-76.7-30.1177.5660000112Y98 T349 A353 M364 E365 G369 A371Y98-V367 HydrophobicContact CD1-CG2 4.36Å; Y98-V367 HydrophobicContact CE1-CG2 3.99Å; T349-V367 HydrophobicContact CG2-CG2 3.63Å; A353-V367 HydrophobicContact CB-CG1 3.83Å; M364-V367 HydrophobicContact CB-CG1 4.26Å; M364-V367 WeakPolarHBondContact O-CG1 3.28Å; M364-V367 PolarHBondContact O-N 3.26Å; M364-V367 VanDerWaalsContact O-N 3.16Å; E365-V367 VanDerWaalsContact C-N 3.34Å; E365-V367 PolarHBondContact O-N 3Å; V367-G369 VanDerWaalsContact C-N 3.33Å; V367-A371 WeakPolarHBondContact O-CB 3.35Å; V367-A371 PolarHBondContact O-N 3.16Å
368I98.9Very high98.6Very high0 Ų040.6 Ų40.60%020%0.204CC..Hα-helixtrans-60.2-48168.1-63.9175000109.3F152 C274 Y277 V350 A353 A354 M364 E365 A371 M372F152-I368 HydrophobicContact CE1-CG2 4.1Å; F152-I368 HydrophobicContact CZ-CG2 4.11Å; C274-I368 HydrophobicContact CB-CD1 4.27Å; Y277-I368 HydrophobicContact CD2-CD1 4.35Å; Y277-I368 HydrophobicContact CD2-CG2 3.99Å; Y277-I368 HydrophobicContact CG-CG2 3.94Å; V350-I368 HydrophobicContact CG1-CG2 4.32Å; V350-I368 HydrophobicContact CG2-CG2 4.42Å; A353-I368 HydrophobicContact CB-CD1 3.98Å; A353-I368 HydrophobicContact CB-CG1 3.49Å; A353-I368 VanDerWaalsContact CB-CG1 3.49Å; A354-I368 HydrophobicContact CB-CD1 4.48Å; M364-I368 PolarHBondContact O-N 2.88Å; E365-I368 WeakPolarHBondContact O-CB 3.37Å; E365-I368 PolarHBondContact O-N 3.23Å; E365-I368 VanDerWaalsContact O-N 3.17Å; I368-A371 PolarHBondContact O-N 2.93Å; I368-M372 HydrophobicContact CG2-CG 4.19Å; I368-M372 HydrophobicContact CG2-SD 3.86Å; I368-M372 WeakPolarHBondContact O-CB 3.42Å; I368-M372 VanDerWaalsContact O-CG 3.26Å; I368-M372 WeakPolarHBondContact O-CG 3.31Å; I368-M372 PolarHBondContact O-N 3.44Å
369G98.3Very high98.6Very high1 Ų133.6 Ų33.61%0.0117%0.171CC..Hα-helixtrans-58.1-50.9177.300000112.6F152 E365 P366 V367 A371 M372 F373F152-G369 VanDerWaalsContact CE2-CA 3.43Å; E365-G369 PolarHBondContact O-N 3.48Å; P366-G369 PolarHBondContact O-N 3.31Å; V367-G369 VanDerWaalsContact C-N 3.33Å; G369-A371 VanDerWaalsContact C-N 3.33Å; G369-A371 PolarHBondContact O-N 2.96Å; G369-M372 PolarHBondContact O-N 2.99Å; G369-F373 WeakPolarHBondContact O-CB 3.17Å; G369-F373 WeakPolarHBondContact O-CD2 3.29Å; G369-F373 WeakPolarHBondContact O-CG 3.33Å; G369-F373 PolarHBondContact O-N 3.27Å
370Q98.3Very high98.7Very high16 Ų1627.1 Ų27.18%0.07514%0.138CC..Hα-helixtrans-54.5-49.8175.9-175.5-77.1-40.900111.5V97 Y98 P366 E374V97-Q370 HydrophobicContact CB-CB 4.28Å; V97-Q370 HydrophobicContact CB-CG 4.21Å; V97-Q370 HydrophobicContact CG2-CB 4.24Å; V97-Q370 HydrophobicContact CG2-CG 3.67Å; Y98-Q370 HydrophobicContact CE1-CB 4.4Å; Y98-Q370 HydrophobicContact CE1-CG 4.08Å; Y98-Q370 HydrophobicContact CE2-CG 4.17Å; Y98-Q370 VanDerWaalsContact OH-CD 3.22Å; Y98-Q370 PolarHBondContact OH-OE1 3.15Å; P366-Q370 PolarHBondContact O-N 3.11Å; Q370-E374 PolarHBondContact NE2-OE2 3.44Å; Q370-E374 VanDerWaalsContact NE2-OE2 3.11Å; Q370-E374 VanDerWaalsContact O-CB 3.26Å; Q370-E374 WeakPolarHBondContact O-CB 3.49Å; Q370-E374 PolarHBondContact O-N 3.05Å
371A98.7Very high98.7Very high0 Ų026.2 Ų26.20%014%0.136CC..Hα-helixtrans-65.2-42-177.400000112.2N346 T349 V350 V367 I368 G369 S375N346-A371 HydrophobicContact CB-CB 4.08Å; N346-A371 PolarHBondContact ND2-O 3.25Å; T349-A371 HydrophobicContact CG2-CB 4.42Å; V350-A371 HydrophobicContact CG2-CB 3.8Å; V367-A371 WeakPolarHBondContact O-CB 3.35Å; V367-A371 PolarHBondContact O-N 3.16Å; I368-A371 PolarHBondContact O-N 2.93Å; G369-A371 VanDerWaalsContact C-N 3.33Å; G369-A371 PolarHBondContact O-N 2.96Å; A371-S375 VanDerWaalsContact O-CB 3.28Å; A371-S375 WeakPolarHBondContact O-CB 3.5Å; A371-S375 PolarHBondContact O-N 2.7Å; A371-S375 PolarHBondContact O-OG 2.74Å
372M98.8Very high98.7Very high0 Ų025.1 Ų25.10%013%0.131CC..Hα-helixtrans-65.3-50.3177.5-71.3-171.487.200111.8F152 V156 Y277 V280 V350 I368 G369 E374 S375 V376F152-M372 HydrophobicContact CE1-SD 4.39Å; F152-M372 HydrophobicContact CE2-SD 4.41Å; F152-M372 HydrophobicContact CZ-CB 4.49Å; F152-M372 HydrophobicContact CZ-CG 4.46Å; F152-M372 HydrophobicContact CZ-SD 3.62Å; V156-M372 HydrophobicContact CG1-CE 3.65Å; V156-M372 HydrophobicContact CG2-CB 4.48Å; V156-M372 HydrophobicContact CG2-CE 4.45Å; V156-M372 HydrophobicContact CG2-SD 4.36Å; Y277-M372 HydrophobicContact CD1-CE 4.44Å; Y277-M372 HydrophobicContact CD1-SD 3.92Å; Y277-M372 HydrophobicContact CG-SD 4.15Å; V280-M372 HydrophobicContact CB-CE 3.88Å; V280-M372 HydrophobicContact CG1-CE 3.47Å; V280-M372 VanDerWaalsContact CG1-CE 3.47Å; V350-M372 HydrophobicContact CG2-CG 4.31Å; I368-M372 HydrophobicContact CG2-CG 4.19Å; I368-M372 HydrophobicContact CG2-SD 3.86Å; I368-M372 WeakPolarHBondContact O-CB 3.42Å; I368-M372 VanDerWaalsContact O-CG 3.26Å; I368-M372 WeakPolarHBondContact O-CG 3.31Å; I368-M372 PolarHBondContact O-N 3.44Å; G369-M372 PolarHBondContact O-N 2.99Å; M372-E374 PolarHBondContact O-N 3.4Å; M372-S375 PolarHBondContact O-N 3.26Å; M372-V376 VanDerWaalsContact O-CG2 3.3Å; M372-V376 WeakPolarHBondContact O-CG2 3.31Å; M372-V376 PolarHBondContact O-N 3.1Å
373F98.7Very high98.7Very high13 Ų1325 Ų256%0.05713%0.131CC..Hα-helixtrans-64.5-41.7-179.9-70.4-57.1000111.8I44 F47 F152 A155 V156 G369 H377I44-F373 HydrophobicContact CD1-CB 3.98Å; I44-F373 HydrophobicContact CD1-CD2 3.81Å; I44-F373 HydrophobicContact CD1-CG 4.11Å; I44-F373 HydrophobicContact CG2-CB 4.12Å; I44-F373 HydrophobicContact CG2-CD1 3.73Å; I44-F373 HydrophobicContact CG2-CD2 3.93Å; I44-F373 HydrophobicContact CG2-CE1 4.08Å; I44-F373 HydrophobicContact CG2-CE2 4.26Å; I44-F373 HydrophobicContact CG2-CG 3.67Å; I44-F373 HydrophobicContact CG2-CZ 4.34Å; F47-F373 HydrophobicContact CB-CE2 3.96Å; F47-F373 HydrophobicContact CB-CZ 3.84Å; F47-F373 HydrophobicContact CD1-CD2 4.42Å; F47-F373 AromaticContact CD1-CE2 3.62Å; F47-F373 HydrophobicContact CD1-CE2 3.62Å; F47-F373 HydrophobicContact CD1-CZ 4.26Å; F47-F373 HydrophobicContact CD2-CE2 4.28Å; F47-F373 HydrophobicContact CD2-CZ 4.18Å; F47-F373 HydrophobicContact CE1-CE2 4.06Å; F47-F373 AromaticContact CG-CE2 3.72Å; F47-F373 HydrophobicContact CG-CE2 3.72Å; F47-F373 AromaticContact CG-CZ 3.87Å; F47-F373 HydrophobicContact CG-CZ 3.87Å; F152-F373 AromaticContact CD2-CE2 3.73Å; F152-F373 HydrophobicContact CD2-CE2 3.73Å; F152-F373 AromaticContact CD2-CZ 3.74Å; F152-F373 HydrophobicContact CD2-CZ 3.74Å; F152-F373 HydrophobicContact CE2-CD2 4.39Å; F152-F373 AromaticContact CE2-CE2 3.69Å; F152-F373 HydrophobicContact CE2-CE2 3.69Å; F152-F373 AromaticContact CE2-CZ 3.89Å; F152-F373 HydrophobicContact CE2-CZ 3.89Å; A155-F373 HydrophobicContact CB-CE1 3.92Å; A155-F373 HydrophobicContact CB-CZ 3.69Å; V156-F373 HydrophobicContact CG2-CE1 3.86Å; V156-F373 HydrophobicContact CG2-CZ 3.94Å; G369-F373 WeakPolarHBondContact O-CB 3.17Å; G369-F373 WeakPolarHBondContact O-CD2 3.29Å; G369-F373 WeakPolarHBondContact O-CG 3.33Å; G369-F373 PolarHBondContact O-N 3.27Å; F373-H377 WeakPolarHBondContact O-CB 3.26Å; F373-H377 PolarHBondContact O-N 3.04Å
374E98.6Very high98.7Very high51 Ų5125.8 Ų25.824%0.23813%0.127CC..Hα-helixtrans-58.1-53.9174.2-177.5-178.8-150.200110.2K342 N346 Q370 M372 V376 H377 I378K342-E374 VanDerWaalsContact CE-CD 3.49Å; K342-E374 WeakPolarHBondContact CE-OE1 3.35Å; K342-E374 VanDerWaalsContact CE-OE2 3.32Å; K342-E374 WeakPolarHBondContact CE-OE2 3.4Å; K342-E374 IonicContact NZ-OE1 2.74Å; K342-E374 IonicContact NZ-OE2 3.77Å; K342-E374 PolarHBondContact NZ-OE2 3.26Å; N346-E374 PolarHBondContact ND2-OE2 3.23Å; N346-E374 PolarHBondContact OD1-OE2 2.87Å; Q370-E374 PolarHBondContact NE2-OE2 3.44Å; Q370-E374 VanDerWaalsContact NE2-OE2 3.11Å; Q370-E374 VanDerWaalsContact O-CB 3.26Å; Q370-E374 WeakPolarHBondContact O-CB 3.49Å; Q370-E374 PolarHBondContact O-N 3.05Å; M372-E374 PolarHBondContact O-N 3.4Å; E374-V376 PolarHBondContact O-N 2.8Å; E374-H377 PolarHBondContact O-N 2.76Å; E374-I378 HydrophobicContact CG-CD1 4.43Å; E374-I378 HydrophobicContact CG-CG2 4.4Å; E374-I378 VanDerWaalsContact O-CG1 3.27Å; E374-I378 WeakPolarHBondContact O-CG1 3.44Å; E374-I378 PolarHBondContact O-N 3.48Å
375S98.9Very high98.7Very high0 Ų025.3 Ų25.30%013%0.126CC..Hα-helixtrans-56.5-48.2-179.1-72.60000112.5H281 N346 A371 M372 L379H281-S375 PolarHBondContact NE2-OG 3.37Å; N346-S375 WeakPolarHBondContact CB-OG 3.35Å; N346-S375 PolarHBondContact ND2-OG 3.08Å; A371-S375 VanDerWaalsContact O-CB 3.28Å; A371-S375 WeakPolarHBondContact O-CB 3.5Å; A371-S375 PolarHBondContact O-N 2.7Å; A371-S375 PolarHBondContact O-OG 2.74Å; M372-S375 PolarHBondContact O-N 3.26Å; S375-L379 VanDerWaalsContact O-CB 3.26Å; S375-L379 WeakPolarHBondContact O-CB 3.39Å; S375-L379 WeakPolarHBondContact O-CD1 3.44Å; S375-L379 VanDerWaalsContact O-CG 3.25Å; S375-L379 WeakPolarHBondContact O-CG 3.46Å; S375-L379 PolarHBondContact O-N 3.47Å
376V98.8Very high98.7Very high4 Ų425 Ų252%0.02413%0.125CC..Hα-helixtrans-64.8-42179.9176.70000110.9S159 L160 L163 L284 M372 E374 T380S159-V376 WeakPolarHBondContact O-CG1 3.29Å; L160-V376 HydrophobicContact CD2-CG2 3.8Å; L163-V376 HydrophobicContact CB-CG1 4.06Å; L163-V376 HydrophobicContact CD2-CG1 4.3Å; L284-V376 HydrophobicContact CD1-CG2 3.68Å; L284-V376 HydrophobicContact CD2-CG2 4.47Å; M372-V376 VanDerWaalsContact O-CG2 3.3Å; M372-V376 WeakPolarHBondContact O-CG2 3.31Å; M372-V376 PolarHBondContact O-N 3.1Å; E374-V376 PolarHBondContact O-N 2.8Å; V376-T380 VanDerWaalsContact O-CB 3.31Å; V376-T380 WeakPolarHBondContact O-CB 3.43Å; V376-T380 PolarHBondContact O-N 3.46Å; V376-T380 PolarHBondContact O-OG1 2.9Å
377H98.6Very high98.7Very high115 Ų11525.4 Ų25.453%0.53213%0.127SC..Hα-helixtrans-64.4-51.4179.5-176.576.9000112.1F373 E374 L379 T380 N381F373-H377 WeakPolarHBondContact O-CB 3.26Å; F373-H377 PolarHBondContact O-N 3.04Å; E374-H377 PolarHBondContact O-N 2.76Å; H377-L379 PolarHBondContact O-N 3.05Å; H377-T380 PolarHBondContact O-N 3.22Å; H377-N381 PolarHBondContact CD2-ND2 3.4Å; H377-N381 PolarHBondContact CE1-ND2 2.94Å; H377-N381 PolarHBondContact NE2-ND2 2.97Å; H377-N381 PolarHBondContact O-N 2.83Å
378I98.8Very high98.7Very high34 Ų3429.2 Ų29.217%0.17414%0.142CC..Hα-helixtrans-68.3-34.5-177.966.7-179.4000112.1V339 K342 V343 E374 A382V339-I378 HydrophobicContact CG1-CB 4.04Å; V339-I378 HydrophobicContact CG1-CD1 4.01Å; V339-I378 HydrophobicContact CG1-CG1 3.74Å; V339-I378 HydrophobicContact CG2-CB 4.39Å; K342-I378 HydrophobicContact CB-CD1 4.09Å; K342-I378 HydrophobicContact CG-CD1 3.85Å; V343-I378 HydrophobicContact CG2-CD1 4.01Å; V343-I378 HydrophobicContact CG2-CG1 4.18Å; E374-I378 HydrophobicContact CG-CD1 4.43Å; E374-I378 HydrophobicContact CG-CG2 4.4Å; E374-I378 VanDerWaalsContact O-CG1 3.27Å; E374-I378 WeakPolarHBondContact O-CG1 3.44Å; E374-I378 PolarHBondContact O-N 3.48Å; I378-A382 WeakPolarHBondContact O-CB 3.36Å; I378-A382 PolarHBondContact O-N 3.26Å
379L98.9Very high98.7Very high0 Ų033.2 Ų33.20%016%0.159CC..Hα-helixtrans-66-42.1173.3-78.6169.3000112L163 L284 L287 M291 V339 V343 S375 H377 A382 C383L163-L379 HydrophobicContact CD1-CB 3.75Å; L163-L379 HydrophobicContact CD2-CB 4.44Å; L163-L379 HydrophobicContact CD2-CD1 4.42Å; L284-L379 HydrophobicContact CB-CD1 4.16Å; L284-L379 HydrophobicContact CD2-CD1 4.22Å; L287-L379 HydrophobicContact CD2-CD1 4.28Å; L287-L379 HydrophobicContact CD2-CD2 4.43Å; M291-L379 HydrophobicContact SD-CD2 4.16Å; V339-L379 HydrophobicContact CG1-CD2 4.34Å; V343-L379 HydrophobicContact CG1-CD1 4.16Å; V343-L379 HydrophobicContact CG2-CD1 3.88Å; V343-L379 HydrophobicContact CG2-CD2 4.04Å; V343-L379 HydrophobicContact CG2-CG 3.69Å; S375-L379 VanDerWaalsContact O-CB 3.26Å; S375-L379 WeakPolarHBondContact O-CB 3.39Å; S375-L379 WeakPolarHBondContact O-CD1 3.44Å; S375-L379 VanDerWaalsContact O-CG 3.25Å; S375-L379 WeakPolarHBondContact O-CG 3.46Å; S375-L379 PolarHBondContact O-N 3.47Å; H377-L379 PolarHBondContact O-N 3.05Å; L379-A382 PolarHBondContact O-N 3.25Å; L379-C383 PolarHBondContact O-N 2.72Å; L379-C383 PolarHBondContact O-SG 3.3Å
380T98.9Very high98.7Very high15 Ų1533.3 Ų33.39%0.09216%0.159CC..Hα-helixtrans-59.9-50.3177.6-61.30000110A166 V376 H377 A382 C383 Y384A166-T380 HydrophobicContact CB-CG2 3.99Å; V376-T380 VanDerWaalsContact O-CB 3.31Å; V376-T380 WeakPolarHBondContact O-CB 3.43Å; V376-T380 PolarHBondContact O-N 3.46Å; V376-T380 PolarHBondContact O-OG1 2.9Å; H377-T380 PolarHBondContact O-N 3.22Å; T380-A382 VanDerWaalsContact C-N 3.35Å; T380-A382 PolarHBondContact O-N 2.97Å; T380-C383 WeakPolarHBondContact O-CB 3.1Å; T380-C383 PolarHBondContact O-N 2.66Å; T380-Y384 HydrophobicContact CG2-CD2 4.09Å; T380-Y384 HydrophobicContact CG2-CE2 3.52Å; T380-Y384 VanDerWaalsContact O-CD2 3.31Å; T380-Y384 WeakPolarHBondContact O-CD2 3.42Å; T380-Y384 PolarHBondContact O-N 3.4Å
381N98.8Very high98.8Very high75 Ų7532.5 Ų32.540%0.40116%0.156SC..Hα-helixtrans-65-37.7177.9-67.6-16.2000112.4H377 C383 Y384 N385H377-N381 PolarHBondContact CD2-ND2 3.4Å; H377-N381 PolarHBondContact CE1-ND2 2.94Å; H377-N381 PolarHBondContact NE2-ND2 2.97Å; H377-N381 PolarHBondContact O-N 2.83Å; N381-C383 VanDerWaalsContact C-N 3.32Å; N381-C383 PolarHBondContact O-N 2.82Å; N381-Y384 PolarHBondContact O-N 2.99Å; N381-N385 VanDerWaalsContact O-CB 3.22Å; N381-N385 WeakPolarHBondContact O-CB 3.35Å; N381-N385 PolarHBondContact O-N 3.38Å
382A98.9Very high98.8Very high7 Ų735.8 Ų35.86%0.05817%0.173CC..Hα-helixtrans-63-38.2175.600000112V336 V339 I378 L379 T380 L386V336-A382 HydrophobicContact CG1-CB 4.48Å; V336-A382 HydrophobicContact CG2-CB 4.27Å; V339-A382 HydrophobicContact CB-CB 4.35Å; V339-A382 HydrophobicContact CG1-CB 3.95Å; V339-A382 HydrophobicContact CG2-CB 4.39Å; I378-A382 WeakPolarHBondContact O-CB 3.36Å; I378-A382 PolarHBondContact O-N 3.26Å; L379-A382 PolarHBondContact O-N 3.25Å; T380-A382 VanDerWaalsContact C-N 3.35Å; T380-A382 PolarHBondContact O-N 2.97Å; A382-L386 WeakPolarHBondContact O-CB 3.2Å; A382-L386 PolarHBondContact O-N 3.47Å
383C98.9Very high98.7Very high0 Ų037.5 Ų37.50%019%0.191CC..Hα-helixtrans-61.5-50.2174.8-68.80000111.4A166 L170 L379 T380 N381 L387A166-C383 HydrophobicContact CB-CB 3.82Å; L170-C383 HydrophobicContact CB-CB 4.33Å; L170-C383 HydrophobicContact CD2-CB 4.3Å; L379-C383 PolarHBondContact O-N 2.72Å; L379-C383 PolarHBondContact O-SG 3.3Å; T380-C383 WeakPolarHBondContact O-CB 3.1Å; T380-C383 PolarHBondContact O-N 2.66Å; N381-C383 VanDerWaalsContact C-N 3.32Å; N381-C383 PolarHBondContact O-N 2.82Å; C383-L387 VanDerWaalsContact O-CB 3.31Å; C383-L387 WeakPolarHBondContact O-CB 3.45Å; C383-L387 PolarHBondContact O-N 3.06Å
384Y98.8Very high98.7Very high79 Ų7936.9 Ų36.931%0.3119%0.188SC..Hα-helixtrans-62.7-46178-65.6-47.3000112.4A166 T380 N381 L387 E388A166-Y384 HydrophobicContact CB-CD1 4.3Å; A166-Y384 HydrophobicContact CB-CD2 4.49Å; A166-Y384 HydrophobicContact CB-CE1 3.72Å; A166-Y384 HydrophobicContact CB-CE2 3.97Å; T380-Y384 HydrophobicContact CG2-CD2 4.09Å; T380-Y384 HydrophobicContact CG2-CE2 3.52Å; T380-Y384 VanDerWaalsContact O-CD2 3.31Å; T380-Y384 WeakPolarHBondContact O-CD2 3.42Å; T380-Y384 PolarHBondContact O-N 3.4Å; N381-Y384 PolarHBondContact O-N 2.99Å; Y384-L387 PolarHBondContact O-N 3.36Å; Y384-E388 WeakPolarHBondContact O-CB 3.42Å; Y384-E388 PolarHBondContact O-N 3.05Å
385N98.5Very high98.8Very high67 Ų6737.5 Ų37.536%0.35820%0.196SC..Hα-helixtrans-64.2-45.8-178.7-164.5-57.1000111.3N381 L387 K389N381-N385 VanDerWaalsContact O-CB 3.22Å; N381-N385 WeakPolarHBondContact O-CB 3.35Å; N381-N385 PolarHBondContact O-N 3.38Å; N385-L387 PolarHBondContact O-N 2.89Å; N385-K389 VanDerWaalsContact O-CB 3.28Å; N385-K389 WeakPolarHBondContact O-CB 3.36Å; N385-K389 PolarHBondContact O-N 3.26Å
386L98.9Very high98.7Very high2 Ų238.7 Ų38.71%0.0121%0.205CC..Hα-helixtrans-60.4-45.3176.4-173.959.2000111.3L170 L298 V332 V336 A382 C390 I391L170-L386 HydrophobicContact CD1-CB 4.18Å; L170-L386 HydrophobicContact CD1-CD2 4.1Å; L170-L386 HydrophobicContact CD1-CG 4.06Å; L170-L386 HydrophobicContact CD2-CD2 4.1Å; L298-L386 HydrophobicContact CD1-CD1 4.49Å; V332-L386 HydrophobicContact CG1-CB 4.49Å; V332-L386 HydrophobicContact CG1-CD1 3.9Å; V336-L386 HydrophobicContact CG1-CD2 4.42Å; V336-L386 HydrophobicContact CG2-CB 4Å; V336-L386 HydrophobicContact CG2-CD1 4.27Å; V336-L386 HydrophobicContact CG2-CD2 4.43Å; V336-L386 HydrophobicContact CG2-CG 4.45Å; A382-L386 WeakPolarHBondContact O-CB 3.2Å; A382-L386 PolarHBondContact O-N 3.47Å; L386-C390 HydrophobicContact CD1-CB 3.95Å; L386-C390 WeakPolarHBondContact O-CA 3.43Å; L386-C390 VanDerWaalsContact O-CB 3.25Å; L386-C390 WeakPolarHBondContact O-CB 3.48Å; L386-C390 PolarHBondContact O-N 3.11Å; L386-C390 VanDerWaalsContact O-N 3.13Å; L386-I391 HydrophobicContact CD1-CD1 4.09Å; L386-I391 HydrophobicContact CD1-CG1 4.41Å; L386-I391 HydrophobicContact CG-CD1 4.1Å; L386-I391 HydrophobicContact CG-CG1 3.97Å; L386-I391 WeakPolarHBondContact O-CG1 3.32Å; L386-I391 PolarHBondContact O-N 2.98Å
387L98.8Very high98.7Very high15 Ų1540 Ų408%0.07921%0.212CC..Hα-helixtrans-60.7-55.6178.5175.361.3000112Q169 L170 C383 Y384 N385 I391 N392Q169-L387 HydrophobicContact CB-CD2 3.86Å; Q169-L387 WeakPolarHBondContact O-CD2 3.4Å; L170-L387 HydrophobicContact CD1-CB 3.89Å; C383-L387 VanDerWaalsContact O-CB 3.31Å; C383-L387 WeakPolarHBondContact O-CB 3.45Å; C383-L387 PolarHBondContact O-N 3.06Å; Y384-L387 PolarHBondContact O-N 3.36Å; N385-L387 PolarHBondContact O-N 2.89Å; L387-I391 PolarHBondContact O-N 2.7Å; L387-N392 WeakPolarHBondContact CD1-OD1 3.25Å; L387-N392 PolarHBondContact O-N 3.42Å; L387-N392 VanDerWaalsContact O-N 3.07Å; L387-N392 PolarHBondContact O-ND2 3.12Å
388E98.6Very high98.7Very high120 Ų12038.6 Ų38.656%0.56120%0.204SC*.Hα-helixtrans-71.7-47.3-171.4-169.4-162.8142.800111.9Y384Y384-E388 WeakPolarHBondContact O-CB 3.42Å; Y384-E388 PolarHBondContact O-N 3.05Å
389K98.6Very high98.7Very high84 Ų8443.9 Ų43.937%0.36523%0.228SC..Hα-helixtrans-92.3-11.5-170-56.4-55.8-169.9-162.90113.6L317 V332 N385L317-K389 HydrophobicContact CD1-CB 3.86Å; L317-K389 HydrophobicContact CD2-CB 4.49Å; V332-K389 HydrophobicContact CG2-CB 3.77Å; N385-K389 VanDerWaalsContact O-CB 3.28Å; N385-K389 WeakPolarHBondContact O-CB 3.36Å; N385-K389 PolarHBondContact O-N 3.26Å
390C98.8Very high98.7Very high2 Ų246.1 Ų46.11%0.01424%0.242CC..THydrogen-bonded Turntrans-128.8-71.8-179.6-173.30000111.6P315 V332 L386 N392 G393 I394P315-C390 WeakPolarHBondContact CD-O 3.45Å; V332-C390 HydrophobicContact CB-CB 4.1Å; V332-C390 HydrophobicContact CG1-CB 3.73Å; L386-C390 HydrophobicContact CD1-CB 3.95Å; L386-C390 WeakPolarHBondContact O-CA 3.43Å; L386-C390 VanDerWaalsContact O-CB 3.25Å; L386-C390 WeakPolarHBondContact O-CB 3.48Å; L386-C390 PolarHBondContact O-N 3.11Å; L386-C390 VanDerWaalsContact O-N 3.13Å; C390-N392 PolarHBondContact O-N 3.45Å; C390-G393 PolarHBondContact O-N 3.05Å; C390-I394 WeakPolarHBondContact O-CG1 3.46Å; C390-I394 PolarHBondContact O-N 3.2Å
391I98.8Very high98.7Very high0 Ų045.4 Ų45.40%024%0.238CC..G310 helixtrans-58.7-44.9-164-54.8-47000112.9L170 F174 K177 L298 L386 L387 G393 I394L170-I391 HydrophobicContact CD1-CG1 3.94Å; F174-I391 HydrophobicContact CD1-CD1 4.42Å; F174-I391 HydrophobicContact CD1-CG2 4.07Å; F174-I391 HydrophobicContact CE1-CD1 3.51Å; F174-I391 HydrophobicContact CE1-CG1 4.07Å; F174-I391 HydrophobicContact CE1-CG2 4.23Å; F174-I391 HydrophobicContact CE2-CD1 4.19Å; F174-I391 HydrophobicContact CE2-CG1 4.06Å; F174-I391 HydrophobicContact CG-CG2 4.26Å; F174-I391 HydrophobicContact CZ-CD1 3.36Å; F174-I391 HydrophobicContact CZ-CG1 3.73Å; K177-I391 WeakPolarHBondContact CE-O 3.45Å; K177-I391 HydrophobicContact CG-CG2 4.22Å; K177-I391 WeakPolarHBondContact CG-O 3.4Å; L298-I391 HydrophobicContact CD1-CD1 3.67Å; L386-I391 HydrophobicContact CD1-CD1 4.09Å; L386-I391 HydrophobicContact CD1-CG1 4.41Å; L386-I391 HydrophobicContact CG-CD1 4.1Å; L386-I391 HydrophobicContact CG-CG1 3.97Å; L386-I391 WeakPolarHBondContact O-CG1 3.32Å; L386-I391 PolarHBondContact O-N 2.98Å; L387-I391 PolarHBondContact O-N 2.7Å; I391-G393 PolarHBondContact O-N 3.46Å; I391-I394 HydrophobicContact CD1-CD1 3.81Å; I391-I394 PolarHBondContact O-N 3.46Å
392N98.5Very high98.6Very high68 Ų6843.9 Ų43.936%0.36423%0.228SC..G310 helixtrans-60.4-31.4-178.9-75.2-25.9000113R176 K177 L387 C390R176-N392 PolarHBondContact NH2-OD1 3.42Å; K177-N392 WeakPolarHBondContact CE-O 2.79Å; K177-N392 PolarHBondContact NZ-O 2.88Å; L387-N392 WeakPolarHBondContact CD1-OD1 3.25Å; L387-N392 PolarHBondContact O-N 3.42Å; L387-N392 VanDerWaalsContact O-N 3.07Å; L387-N392 PolarHBondContact O-ND2 3.12Å; C390-N392 PolarHBondContact O-N 3.45Å
393G98.5Very high98.6Very high36 Ų3644.7 Ų44.737%0.37124%0.237SC..G310 helixtrans-100.64.1-176.100000115.2C390 I391 T395C390-G393 PolarHBondContact O-N 3.05Å; I391-G393 PolarHBondContact O-N 3.46Å; G393-T395 PolarHBondContact O-N 3.24Å
394I98.8Very high98.5Very high0 Ų048.1 Ų48.10%025%0.251CS..  trans-61.1138177.2-65.5-178.9000110.1K177 F181 F204 L298 I312 N313 L314 C390 I391K177-I394 VanDerWaalsContact CE-O 3.24Å; K177-I394 WeakPolarHBondContact CE-O 3.29Å; K177-I394 PolarHBondContact NZ-O 3.32Å; F181-I394 HydrophobicContact CE2-CG2 3.9Å; F181-I394 HydrophobicContact CZ-CG2 3.94Å; F204-I394 HydrophobicContact CE1-CD1 3.93Å; F204-I394 HydrophobicContact CE1-CG2 4.4Å; F204-I394 HydrophobicContact CZ-CD1 4.08Å; F204-I394 HydrophobicContact CZ-CG2 4.1Å; L298-I394 HydrophobicContact CD2-CD1 3.82Å; I312-I394 HydrophobicContact CB-CG2 4.16Å; I312-I394 HydrophobicContact CD1-CG2 4.39Å; I312-I394 HydrophobicContact CG2-CG2 4.46Å; N313-I394 WeakPolarHBondContact O-CA 3.45Å; L314-I394 HydrophobicContact CD2-CD1 3.78Å; L314-I394 HydrophobicContact CD2-CG1 3.75Å; C390-I394 WeakPolarHBondContact O-CG1 3.46Å; C390-I394 PolarHBondContact O-N 3.2Å; I391-I394 HydrophobicContact CD1-CD1 3.81Å; I391-I394 PolarHBondContact O-N 3.46Å
395T98.8Very high98.5Very high65 Ų6544.4 Ų44.440%0.39924%0.236SC..EExtended strand (participates in β ladder)trans-125.1161168.564.20000109.6I312 N313 G393I312-T395 CarbonylContact C-O 3.59Å; I312-T395 VanDerWaalsContact CA-O 3.31Å; I312-T395 WeakPolarHBondContact CA-O 3.47Å; I312-T395 WeakPolarHBondContact CB-O 3.36Å; N313-T395 WeakPolarHBondContact CB-OG1 3.31Å; N313-T395 PolarHBondContact N-O 3.08Å; N313-T395 PolarHBondContact ND2-OG1 2.83Å; N313-T395 VanDerWaalsContact ND2-OG1 3.08Å; N313-T395 PolarHBondContact O-N 3.21Å; G393-T395 PolarHBondContact O-N 3.24Å
396A98.8Very high98.3Very high24 Ų2445.8 Ų45.820%0.19824%0.237CC..EExtended strand (participates in β ladder)trans-108.6142.7179.200000111.4F181 I184 L200 K398F181-A396 HydrophobicContact CD1-CB 4.19Å; F181-A396 HydrophobicContact CE1-CB 4.05Å; F181-A396 HydrophobicContact CZ-CB 4.44Å; I184-A396 HydrophobicContact CD1-CB 3.49Å; I184-A396 VanDerWaalsContact CD1-CB 3.49Å; L200-A396 HydrophobicContact CD2-CB 3.47Å; L200-A396 VanDerWaalsContact CD2-CB 3.47Å; A396-K398 PolarHBondContact O-N 3.37Å
397N98.8Very high98.1Very high31 Ų3152 Ų5217%0.16627%0.27CS..  trans-89.377.6169-65.9-42.5000108.4N310 E311 N313 E399 V400 C401N310-N397 PolarHBondContact ND2-ND2 2.81Å; N310-N397 VanDerWaalsContact O-CB 3.3Å; N310-N397 WeakPolarHBondContact O-CB 3.45Å; N310-N397 PolarHBondContact O-ND2 3.27Å; E311-N397 PolarHBondContact O-N 3.48Å; N313-N397 PolarHBondContact ND2-OD1 3.11Å; N313-N397 PolarHBondContact OD1-ND2 2.88Å; N313-N397 PolarHBondContact OD1-OD1 3.4Å; N397-E399 VanDerWaalsContact C-N 3.3Å; N397-E399 PolarHBondContact O-N 2.84Å; N397-V400 HydrophobicContact CB-CB 3.99Å; N397-V400 HydrophobicContact CB-CG2 3.91Å; N397-V400 WeakPolarHBondContact O-CB 3.31Å; N397-V400 PolarHBondContact O-N 2.93Å; N397-C401 PolarHBondContact O-N 3.26Å; N397-C401 PolarHBondContact O-SG 2.76Å
398K98.4Very high98Very high86 Ų8651.6 Ų51.637%0.37427%0.269SS..Hα-helixtrans-51.9-46.7-169.7-180175.1177176.50112.8I184 A396 V400 C401 E402I184-K398 HydrophobicContact CG1-CG 4.48Å; I184-K398 HydrophobicContact CG2-CG 4.34Å; A396-K398 PolarHBondContact O-N 3.37Å; K398-V400 VanDerWaalsContact C-N 3.28Å; K398-V400 PolarHBondContact O-N 3.27Å; K398-C401 PolarHBondContact O-N 3.29Å; K398-E402 WeakPolarHBondContact CE-OE1 3.49Å; K398-E402 HydrophobicContact CG-CG 4.35Å; K398-E402 IonicContact NZ-OE1 2.88Å; K398-E402 WeakPolarHBondContact O-CB 3.47Å; K398-E402 WeakPolarHBondContact O-CG 3.42Å; K398-E402 PolarHBondContact O-N 2.9Å
399E98.4Very high98Very high145 Ų14548.9 Ų48.968%0.67826%0.257SS*.Hα-helixtrans-64.6-33.3-178.3-62.573.8-16200112.1N397 G403N397-E399 VanDerWaalsContact C-N 3.3Å; N397-E399 PolarHBondContact O-N 2.84Å; E399-G403 WeakPolarHBondContact O-CA 3.44Å; E399-G403 PolarHBondContact O-N 3.06Å
400V98.5Very high97.9Very high47 Ų4745.5 Ų45.529%0.28525%0.246SC..Hα-helixtrans-68.9-48.2175.4177.10000110L309 N397 K398 E402 G403 Y404L309-V400 WeakPolarHBondContact O-CG1 3.36Å; N397-V400 HydrophobicContact CB-CB 3.99Å; N397-V400 HydrophobicContact CB-CG2 3.91Å; N397-V400 WeakPolarHBondContact O-CB 3.31Å; N397-V400 PolarHBondContact O-N 2.93Å; K398-V400 VanDerWaalsContact C-N 3.28Å; K398-V400 PolarHBondContact O-N 3.27Å; V400-E402 PolarHBondContact O-N 3.22Å; V400-G403 PolarHBondContact O-N 2.83Å; V400-Y404 HydrophobicContact CG1-CD2 4.14Å; V400-Y404 HydrophobicContact CG1-CE2 3.55Å; V400-Y404 WeakPolarHBondContact O-CD2 3.42Å; V400-Y404 PolarHBondContact O-N 3.13Å
401C98.7Very high97.8Very high0 Ų046 Ų460%025%0.249CC..Hα-helixtrans-59.9-47.5178.9-630000111.9I184 L185 K186 E311 N397 K398 Y404 V405I184-C401 HydrophobicContact CG2-CB 4.13Å; L185-C401 CarbonylContact O-C 3.37Å; L185-C401 WeakPolarHBondContact O-CB 3.36Å; K186-C401 HydrophobicContact CB-CB 4.04Å; E311-C401 VanDerWaalsContact CB-SG 3.58Å; E311-C401 PolarHBondContact O-SG 2.78Å; N397-C401 PolarHBondContact O-N 3.26Å; N397-C401 PolarHBondContact O-SG 2.76Å; K398-C401 PolarHBondContact O-N 3.29Å; C401-Y404 PolarHBondContact O-N 2.95Å; C401-V405 PolarHBondContact O-N 3.42Å
402E97.7Very high97.7Very high43 Ų4346.7 Ų46.720%0.20125%0.253CS..Hα-helixtrans-66-39.2177-74.9-177.5171.300111.7L185 K398 V400 Y404 V405 Y406L185-E402 HydrophobicContact CB-CG 4.14Å; L185-E402 PolarHBondContact O-N 3Å; K398-E402 WeakPolarHBondContact CE-OE1 3.49Å; K398-E402 HydrophobicContact CG-CG 4.35Å; K398-E402 IonicContact NZ-OE1 2.88Å; K398-E402 WeakPolarHBondContact O-CB 3.47Å; K398-E402 WeakPolarHBondContact O-CG 3.42Å; K398-E402 PolarHBondContact O-N 2.9Å; V400-E402 PolarHBondContact O-N 3.22Å; E402-Y404 VanDerWaalsContact C-N 3.31Å; E402-Y404 PolarHBondContact O-N 3.17Å; E402-V405 WeakPolarHBondContact O-CB 3.38Å; E402-V405 PolarHBondContact O-N 3.46Å; E402-Y406 HydrophobicContact CB-CD2 4.22Å; E402-Y406 HydrophobicContact CB-CE2 3.84Å; E402-Y406 HydrophobicContact CG-CE2 4.39Å; E402-Y406 WeakPolarHBondContact O-CD2 3.17Å; E402-Y406 PolarHBondContact O-N 3.48Å
403G97.3Very high97.6Very high24 Ų2446.5 Ų46.525%0.24725%0.254CS..Hα-helixtrans-57.5-41.3173.500000112.7E399 V400 V405 N407E399-G403 WeakPolarHBondContact O-CA 3.44Å; E399-G403 PolarHBondContact O-N 3.06Å; V400-G403 PolarHBondContact O-N 2.83Å; G403-V405 VanDerWaalsContact C-N 3.3Å; G403-V405 PolarHBondContact O-N 2.86Å; G403-N407 WeakPolarHBondContact O-CB 3.46Å; G403-N407 PolarHBondContact O-N 3.33Å; G403-N407 PolarHBondContact O-ND2 2.84Å
404Y98Very high97.5Very high73 Ų7346.3 Ų46.329%0.28624%0.242SC..Hα-helixtrans-65.4-32.7173.4-69-42.6000112.8L309 E311 V400 C401 E402 S408L309-Y404 VanDerWaalsContact O-CE2 3.29Å; L309-Y404 WeakPolarHBondContact O-CE2 3.27Å; L309-Y404 PolarHBondContact O-OH 3.06Å; E311-Y404 HydrophobicContact CG-CD2 4.09Å; E311-Y404 HydrophobicContact CG-CE2 3.94Å; E311-Y404 WeakPolarHBondContact OE1-CD2 3.44Å; V400-Y404 HydrophobicContact CG1-CD2 4.14Å; V400-Y404 HydrophobicContact CG1-CE2 3.55Å; V400-Y404 WeakPolarHBondContact O-CD2 3.42Å; V400-Y404 PolarHBondContact O-N 3.13Å; C401-Y404 PolarHBondContact O-N 2.95Å; E402-Y404 VanDerWaalsContact C-N 3.31Å; E402-Y404 PolarHBondContact O-N 3.17Å; Y404-S408 WeakPolarHBondContact O-CB 3.35Å; Y404-S408 PolarHBondContact O-N 3.16Å
405V97.7Very high97.4Very high0 Ų046.3 Ų46.30%024%0.242CC..Hα-helixtrans-69.2-54.8177.1170.80000111.5L185 K186 M187 P197 C401 E402 G403 N407 S408 I411 L462L185-V405 HydrophobicContact CB-CG2 4.26Å; K186-V405 WeakPolarHBondContact O-CG2 3.21Å; M187-V405 HydrophobicContact CB-CG2 4.46Å; M187-V405 HydrophobicContact CE-CB 4.43Å; M187-V405 HydrophobicContact CE-CG2 4.29Å; P197-V405 HydrophobicContact CB-CG1 4.08Å; P197-V405 HydrophobicContact CB-CG2 4.3Å; P197-V405 HydrophobicContact CG-CG1 3.75Å; P197-V405 HydrophobicContact CG-CG2 4.48Å; C401-V405 PolarHBondContact O-N 3.42Å; E402-V405 WeakPolarHBondContact O-CB 3.38Å; E402-V405 PolarHBondContact O-N 3.46Å; G403-V405 VanDerWaalsContact C-N 3.3Å; G403-V405 PolarHBondContact O-N 2.86Å; V405-N407 VanDerWaalsContact C-N 3.26Å; V405-N407 PolarHBondContact O-N 3.24Å; V405-S408 PolarHBondContact O-N 3.09Å; V405-I411 WeakPolarHBondContact O-CG2 3.31Å; V405-L462 HydrophobicContact CG1-CD1 4.04Å
406Y94.7Very high97.3Very high97 Ų9745.4 Ų45.438%0.3824%0.235SC..Hα-helixtrans-70.9-22-172.2-61.1-53.5000113.8E402 L462E402-Y406 HydrophobicContact CB-CD2 4.22Å; E402-Y406 HydrophobicContact CB-CE2 3.84Å; E402-Y406 HydrophobicContact CG-CE2 4.39Å; E402-Y406 WeakPolarHBondContact O-CD2 3.17Å; E402-Y406 PolarHBondContact O-N 3.48Å; Y406-L462 HydrophobicContact CE1-CD1 4.06Å
407N95.5Very high97.1Very high133 Ų13347.6 Ų47.671%0.71125%0.248SC*.Hα-helixtrans-100.3-4.2179.1-62-56.4000114G403 V405G403-N407 WeakPolarHBondContact O-CB 3.46Å; G403-N407 PolarHBondContact O-N 3.33Å; G403-N407 PolarHBondContact O-ND2 2.84Å; V405-N407 VanDerWaalsContact C-N 3.26Å; V405-N407 PolarHBondContact O-N 3.24Å
408S97Very high97Very high6 Ų649.6 Ų49.64%0.04226%0.255CS..  trans-80.5144.2-179.5-174.40000111.9D194 Y404 V405 G410 I411D194-S408 WeakPolarHBondContact CB-OG 3.34Å; D194-S408 PolarHBondContact OD2-OG 3.42Å; Y404-S408 WeakPolarHBondContact O-CB 3.35Å; Y404-S408 PolarHBondContact O-N 3.16Å; V405-S408 PolarHBondContact O-N 3.09Å; S408-G410 PolarHBondContact O-N 2.91Å; S408-G410 PolarHBondContact OG-N 3.14Å; S408-G410 VanDerWaalsContact OG-N 3.13Å; S408-I411 WeakPolarHBondContact O-CG1 3.4Å
409I97.4Very high96.9Very high62 Ų6246.3 Ų46.332%0.31824%0.241SC..G310 helixtrans-66.5-28.4170.9-59176.9000110.7I411 V412 C431 A432I409-I411 PolarHBondContact O-N 3.21Å; I409-V412 HydrophobicContact CG2-CG1 4.45Å; I409-V412 VanDerWaalsContact O-CB 3.3Å; I409-V412 WeakPolarHBondContact O-CB 3.41Å; I409-V412 WeakPolarHBondContact O-CG1 3.43Å; I409-V412 PolarHBondContact O-N 2.68Å; I409-C431 HydrophobicContact CD1-CB 3.87Å; I409-C431 HydrophobicContact CG1-CB 3.79Å; I409-C431 HydrophobicContact CG2-CB 4.43Å; I409-A432 HydrophobicContact CD1-CB 3.75Å
410G96.4Very high96.7Very high13 Ų1341 Ų4113%0.13423%0.225CC..G310 helixtrans-57.1-24.4-173.900000114.9A195 S408 V412 T413A195-G410 VanDerWaalsContact O-CA 3.32Å; A195-G410 WeakPolarHBondContact O-CA 3.47Å; S408-G410 PolarHBondContact O-N 2.91Å; S408-G410 PolarHBondContact OG-N 3.14Å; S408-G410 VanDerWaalsContact OG-N 3.13Å; G410-V412 PolarHBondContact O-N 3.05Å; G410-V412 VanDerWaalsContact O-N 3.16Å; G410-T413 WeakPolarHBondContact O-CB 3.32Å; G410-T413 PolarHBondContact O-N 2.74Å; G410-T413 VanDerWaalsContact O-N 3.13Å; G410-T413 PolarHBondContact O-OG1 3.3Å
411I96.7Very high96.7Very high13 Ų1344.3 Ų44.37%0.06724%0.237CC..G310 helixtrans-63-19.6175.771.9-178.4000112.8M187 P197 V405 S408 I409 T413 Y414 V438 F457M187-I411 HydrophobicContact CE-CG2 4.29Å; P197-I411 HydrophobicContact CG-CG2 3.88Å; V405-I411 WeakPolarHBondContact O-CG2 3.31Å; S408-I411 WeakPolarHBondContact O-CG1 3.4Å; I409-I411 PolarHBondContact O-N 3.21Å; I411-T413 PolarHBondContact O-N 3.34Å; I411-Y414 WeakPolarHBondContact O-CB 3.37Å; I411-Y414 PolarHBondContact O-N 3.3Å; I411-V438 HydrophobicContact CD1-CB 4.22Å; I411-V438 HydrophobicContact CD1-CG2 4.41Å; I411-V438 HydrophobicContact CG1-CB 4.01Å; I411-V438 HydrophobicContact CG1-CG1 4.31Å; I411-V438 HydrophobicContact CG1-CG2 3.87Å; I411-F457 HydrophobicContact CB-CE1 4.15Å; I411-F457 HydrophobicContact CD1-CE1 4.39Å; I411-F457 HydrophobicContact CD1-CE2 4.37Å; I411-F457 HydrophobicContact CD1-CZ 4.21Å; I411-F457 HydrophobicContact CG1-CE1 4.15Å; I411-F457 HydrophobicContact CG1-CZ 4.07Å; I411-F457 WeakPolarHBondContact O-CE1 3.37Å
412V96.9Very high96.6Very high15 Ų1550.7 Ų50.79%0.09127%0.267CS..G310 helixtrans-54.7-26.5173.2760000112.5I409 G410 Y414 L415 V427 V438I409-V412 HydrophobicContact CG2-CG1 4.45Å; I409-V412 VanDerWaalsContact O-CB 3.3Å; I409-V412 WeakPolarHBondContact O-CB 3.41Å; I409-V412 WeakPolarHBondContact O-CG1 3.43Å; I409-V412 PolarHBondContact O-N 2.68Å; G410-V412 PolarHBondContact O-N 3.05Å; G410-V412 VanDerWaalsContact O-N 3.16Å; V412-Y414 PolarHBondContact O-N 2.69Å; V412-Y414 VanDerWaalsContact O-N 3.17Å; V412-L415 HydrophobicContact CG2-CD1 4.35Å; V412-L415 VanDerWaalsContact O-CB 3.28Å; V412-L415 WeakPolarHBondContact O-CB 3.23Å; V412-L415 PolarHBondContact O-N 2.96Å; V412-V427 HydrophobicContact CG2-CB 4.02Å; V412-V427 HydrophobicContact CG2-CG1 3.78Å; V412-V438 HydrophobicContact CB-CG1 3.96Å; V412-V438 HydrophobicContact CB-CG2 4.23Å; V412-V438 HydrophobicContact CG2-CG1 4.09Å
413T96.8Very high96.6Very high64 Ų6450.7 Ų50.739%0.39327%0.268SS..G310 helixtrans-57.2-31.3177.7-51.10000112.7V196 G410 I411 L415 N416V196-T413 HydrophobicContact CG1-CG2 4.15Å; G410-T413 WeakPolarHBondContact O-CB 3.32Å; G410-T413 PolarHBondContact O-N 2.74Å; G410-T413 VanDerWaalsContact O-N 3.13Å; G410-T413 PolarHBondContact O-OG1 3.3Å; I411-T413 PolarHBondContact O-N 3.34Å; T413-L415 PolarHBondContact O-N 3.01Å; T413-N416 WeakPolarHBondContact O-CB 3.11Å; T413-N416 PolarHBondContact O-N 3.26Å
414Y96.7Very high96.6Very high31 Ų3149.7 Ų49.712%0.12226%0.258CS..G310 helixtrans-66.2-19.1176.9-77.3-112.7000112.5V196 P197 I411 V412 L462 P465V196-Y414 HydrophobicContact CB-CE2 4.46Å; P197-Y414 HydrophobicContact CG-CE2 4.43Å; I411-Y414 WeakPolarHBondContact O-CB 3.37Å; I411-Y414 PolarHBondContact O-N 3.3Å; V412-Y414 PolarHBondContact O-N 2.69Å; V412-Y414 VanDerWaalsContact O-N 3.17Å; Y414-L462 HydrophobicContact CD1-CD2 4.33Å; Y414-L462 HydrophobicContact CE1-CD2 4.03Å; Y414-L462 HydrophobicContact CE2-CD2 4.35Å; Y414-P465 HydrophobicContact CE1-CB 4.22Å; Y414-P465 HydrophobicContact CE1-CG 4.32Å; Y414-P465 WeakPolarHBondContact OH-CG 3.46Å
415L96.7Very high96.6Very high0 Ų050.4 Ų50.40%027%0.267CS..G310 helixtrans-88.8-16-178.8-48.6-174.5000112.4V412 T413 P417 F418 I419 V438 V442 L448 L453 I456 F457V412-L415 HydrophobicContact CG2-CD1 4.35Å; V412-L415 VanDerWaalsContact O-CB 3.28Å; V412-L415 WeakPolarHBondContact O-CB 3.23Å; V412-L415 PolarHBondContact O-N 2.96Å; T413-L415 PolarHBondContact O-N 3.01Å; L415-P417 VanDerWaalsContact C-CD 3.45Å; L415-P417 VanDerWaalsContact C-N 3.3Å; L415-P417 VanDerWaalsContact O-N 3.15Å; L415-F418 WeakPolarHBondContact O-CA 3.43Å; L415-F418 PolarHBondContact O-N 3.27Å; L415-I419 HydrophobicContact CB-CD1 3.76Å; L415-I419 HydrophobicContact CB-CG1 3.92Å; L415-I419 HydrophobicContact CD1-CD1 4.19Å; L415-I419 WeakPolarHBondContact O-CG1 3.47Å; L415-I419 PolarHBondContact O-N 3.46Å; L415-V438 HydrophobicContact CD1-CG1 3.99Å; L415-V442 HydrophobicContact CD1-CG1 4.45Å; L415-V442 HydrophobicContact CD1-CG2 3.5Å; L415-L448 HydrophobicContact CD1-CD1 4.48Å; L415-L448 HydrophobicContact CD2-CD1 3.81Å; L415-L453 HydrophobicContact CD1-CD2 4.38Å; L415-L453 HydrophobicContact CD2-CD2 3.93Å; L415-I456 HydrophobicContact CD2-CD1 4.18Å; L415-I456 HydrophobicContact CD2-CG2 3.88Å; L415-F457 HydrophobicContact CD1-CZ 3.98Å; L415-F457 HydrophobicContact CD2-CE1 3.87Å; L415-F457 HydrophobicContact CD2-CE2 4.42Å; L415-F457 HydrophobicContact CD2-CZ 3.66Å; L415-F457 HydrophobicContact CG-CE1 4.31Å; L415-F457 HydrophobicContact CG-CZ 3.93Å
416N96.2Very high96.6Very high47 Ų4752.9 Ų52.925%0.25128%0.28SS..Hα-helixtrans-49.4-43.1-176.3-74.7-4.3000113.7T413 F418 G420T413-N416 WeakPolarHBondContact O-CB 3.11Å; T413-N416 PolarHBondContact O-N 3.26Å; N416-F418 PolarHBondContact O-N 3.39Å; N416-G420 WeakPolarHBondContact O-CA 3.25Å; N416-G420 PolarHBondContact O-N 2.88Å
417P95.7Very high96.8Very high70 Ų7048.3 Ų48.346%0.45526%0.261SS..Hα-helixtrans-67.3-17.9177.4-25.939.2000115.4L415 A469L415-P417 VanDerWaalsContact C-CD 3.45Å; L415-P417 VanDerWaalsContact C-N 3.3Å; L415-P417 VanDerWaalsContact O-N 3.15Å; P417-A469 HydrophobicContact CB-CB 3.33Å; P417-A469 HydrophobicContact CG-CB 4.49Å
418F96Very high96.8Very high72 Ų7242.6 Ų42.632%0.31623%0.234SC..Hα-helixtrans-101.9-42.5-175.5-56.9-91.5000112.2L415 N416 L448 I456 K468 A469L415-F418 WeakPolarHBondContact O-CA 3.43Å; L415-F418 PolarHBondContact O-N 3.27Å; N416-F418 PolarHBondContact O-N 3.39Å; F418-L448 HydrophobicContact CB-CD1 4.45Å; F418-L448 HydrophobicContact CB-CD2 4.07Å; F418-I456 HydrophobicContact CD1-CD1 4.21Å; F418-I456 HydrophobicContact CD2-CD1 3.77Å; F418-I456 HydrophobicContact CE1-CD1 4.04Å; F418-I456 HydrophobicContact CE1-CG1 4.49Å; F418-I456 HydrophobicContact CE2-CD1 3.58Å; F418-I456 HydrophobicContact CE2-CG1 3.89Å; F418-I456 HydrophobicContact CG-CD1 4.08Å; F418-I456 HydrophobicContact CZ-CD1 3.71Å; F418-I456 HydrophobicContact CZ-CG1 3.85Å; F418-K468 HydrophobicContact CZ-CB 3.8Å; F418-A469 HydrophobicContact CD1-CB 4.46Å; F418-A469 HydrophobicContact CE1-CB 4.12Å; F418-A469 HydrophobicContact CE2-CB 4.38Å; F418-A469 HydrophobicContact CZ-CB 4.09Å
419I95.9Very high96.8Very high17 Ų1748.5 Ų48.59%0.08726%0.259CS..Hα-helixtrans-109.7-8.3-174.570.3174.5000113L415 N423 L447 L448L415-I419 HydrophobicContact CB-CD1 3.76Å; L415-I419 HydrophobicContact CB-CG1 3.92Å; L415-I419 HydrophobicContact CD1-CD1 4.19Å; L415-I419 WeakPolarHBondContact O-CG1 3.47Å; L415-I419 PolarHBondContact O-N 3.46Å; I419-N423 HydrophobicContact CB-CB 4.03Å; I419-N423 HydrophobicContact CD1-CB 3.97Å; I419-N423 HydrophobicContact CG1-CB 3.96Å; I419-N423 WeakPolarHBondContact O-CB 3.41Å; I419-N423 PolarHBondContact O-ND2 2.9Å; I419-L447 HydrophobicContact CD1-CD1 4.19Å; I419-L447 HydrophobicContact CG2-CB 4.03Å; I419-L448 HydrophobicContact CG2-CD1 4.07Å; I419-L448 HydrophobicContact CG2-CD2 4.22Å; I419-L448 HydrophobicContact CG2-CG 3.86Å
420G95.2Very high96.9Very high33 Ų3347.7 Ų47.734%0.3426%0.255SS..  trans76.8153.2-173.300000113.2N416 H422 N423 G424N416-G420 WeakPolarHBondContact O-CA 3.25Å; N416-G420 PolarHBondContact O-N 2.88Å; G420-H422 VanDerWaalsContact C-N 3.3Å; G420-H422 PolarHBondContact O-N 3.24Å; G420-N423 PolarHBondContact O-N 3.49Å; G420-G424 PolarHBondContact O-N 2.88Å
421H97.2Very high96.9Very high117 Ų11747.3 Ų47.354%0.54225%0.25SC..Hα-helixtrans-55.6-42.4-177.7-169.3-71.5000112.9N423 G424 D425H421-N423 VanDerWaalsContact C-N 3.34Å; H421-N423 PolarHBondContact O-N 3.31Å; H421-G424 CarbonylContact O-C 3.57Å; H421-G424 WeakPolarHBondContact O-CA 3.3Å; H421-G424 PolarHBondContact O-N 2.8Å; H421-D425 IonicContact CE1-OD1 2.66Å; H421-D425 PolarHBondContact CE1-OD1 3.38Å; H421-D425 IonicContact CE1-OD2 3.87Å; H421-D425 PolarHBondContact CE1-OD2 3.23Å; H421-D425 VanDerWaalsContact CE1-OD2 3.25Å; H421-D425 IonicContact ND1-OD1 3.06Å; H421-D425 PolarHBondContact ND1-OD1 2.65Å; H421-D425 IonicContact ND1-OD2 2.58Å; H421-D425 PolarHBondContact ND1-OD2 3.11Å; H421-D425 PolarHBondContact O-N 2.84Å
422H97.6Very high96.9Very high134 Ų13450.1 Ų50.162%0.6228%0.275SS*.Hα-helixtrans-59.5-41.8-178.3179.261.1000112.9G420 G424 D425 I426G420-H422 VanDerWaalsContact C-N 3.3Å; G420-H422 PolarHBondContact O-N 3.24Å; H422-G424 VanDerWaalsContact C-N 3.33Å; H422-D425 PolarHBondContact O-N 3.35Å; H422-I426 WeakPolarHBondContact NE2-CD1 3.46Å; H422-I426 WeakPolarHBondContact O-CG1 3.43Å; H422-I426 PolarHBondContact O-N 3.07Å
423N97.6Very high96.9Very high43 Ų4355.9 Ų55.923%0.2330%0.301CS..Hα-helixtrans-70.3-34.7175.1-76.3-46.8000111.4I419 G420 H421 D425 I426 V427 L447I419-N423 HydrophobicContact CB-CB 4.03Å; I419-N423 HydrophobicContact CD1-CB 3.97Å; I419-N423 HydrophobicContact CG1-CB 3.96Å; I419-N423 WeakPolarHBondContact O-CB 3.41Å; I419-N423 PolarHBondContact O-ND2 2.9Å; G420-N423 PolarHBondContact O-N 3.49Å; H421-N423 VanDerWaalsContact C-N 3.34Å; H421-N423 PolarHBondContact O-N 3.31Å; N423-D425 VanDerWaalsContact C-N 3.35Å; N423-I426 PolarHBondContact O-N 3Å; N423-V427 VanDerWaalsContact O-CG2 3.28Å; N423-V427 WeakPolarHBondContact O-CG2 3.4Å; N423-V427 PolarHBondContact O-N 3.14Å; N423-L447 HydrophobicContact CB-CD1 4.26Å
424G97.3Very high96.9Very high3 Ų356.5 Ų56.53%0.03131%0.305CS..Hα-helixtrans-56.1-45.9170.600000112.6G420 H421 H422 I426 V427 G428G420-G424 PolarHBondContact O-N 2.88Å; H421-G424 CarbonylContact O-C 3.57Å; H421-G424 WeakPolarHBondContact O-CA 3.3Å; H421-G424 PolarHBondContact O-N 2.8Å; H422-G424 VanDerWaalsContact C-N 3.33Å; G424-I426 PolarHBondContact O-N 3.43Å; G424-V427 PolarHBondContact O-N 3.38Å; G424-G428 PolarHBondContact O-N 3.49Å
425D97.6Very high96.9Very high88 Ų8858.5 Ų58.547%0.47134%0.335SS..Hα-helixtrans-61-45176.9-68.8-35.2000112H421 H422 N423 G428 K429H421-D425 IonicContact CE1-OD1 2.66Å; H421-D425 PolarHBondContact CE1-OD1 3.38Å; H421-D425 IonicContact CE1-OD2 3.87Å; H421-D425 PolarHBondContact CE1-OD2 3.23Å; H421-D425 VanDerWaalsContact CE1-OD2 3.25Å; H421-D425 IonicContact ND1-OD1 3.06Å; H421-D425 PolarHBondContact ND1-OD1 2.65Å; H421-D425 IonicContact ND1-OD2 2.58Å; H421-D425 PolarHBondContact ND1-OD2 3.11Å; H421-D425 PolarHBondContact O-N 2.84Å; H422-D425 PolarHBondContact O-N 3.35Å; N423-D425 VanDerWaalsContact C-N 3.35Å; D425-G428 PolarHBondContact O-N 2.75Å; D425-K429 WeakPolarHBondContact O-CB 3.4Å; D425-K429 PolarHBondContact O-N 2.77Å
426I98Very high96.9Very high53 Ų5362 Ų6227%0.27235%0.35SS..Hα-helixtrans-64.6-43.7178.7-62.3165.5000110.3H422 N423 G424 K429 I430 R445H422-I426 WeakPolarHBondContact NE2-CD1 3.46Å; H422-I426 WeakPolarHBondContact O-CG1 3.43Å; H422-I426 PolarHBondContact O-N 3.07Å; N423-I426 PolarHBondContact O-N 3Å; G424-I426 PolarHBondContact O-N 3.43Å; I426-K429 PolarHBondContact O-N 3.28Å; I426-I430 HydrophobicContact CG2-CD1 3.9Å; I426-I430 VanDerWaalsContact O-CG1 3.31Å; I426-I430 WeakPolarHBondContact O-CG1 3.28Å; I426-I430 PolarHBondContact O-N 3.42Å; I426-R445 VanDerWaalsContact CB-NH1 3.33Å
427V97.8Very high96.9Very high0 Ų061.6 Ų61.60%035%0.351CS..Hα-helixtrans-59.4-50.5176168.60000110.1V412 N423 G424 K429 I430 C431 V438 V441 V442 L447V412-V427 HydrophobicContact CG2-CB 4.02Å; V412-V427 HydrophobicContact CG2-CG1 3.78Å; N423-V427 VanDerWaalsContact O-CG2 3.28Å; N423-V427 WeakPolarHBondContact O-CG2 3.4Å; N423-V427 PolarHBondContact O-N 3.14Å; G424-V427 PolarHBondContact O-N 3.38Å; V427-K429 VanDerWaalsContact C-N 3.31Å; V427-K429 PolarHBondContact O-N 2.91Å; V427-I430 PolarHBondContact O-N 3.35Å; V427-C431 PolarHBondContact O-N 2.64Å; V427-C431 PolarHBondContact O-SG 2.81Å; V427-C431 VanDerWaalsContact O-SG 3.35Å; V427-V438 HydrophobicContact CG1-CG1 4.05Å; V427-V441 HydrophobicContact CB-CG1 4.29Å; V427-V441 HydrophobicContact CG1-CB 4.23Å; V427-V441 HydrophobicContact CG1-CG1 4.02Å; V427-V441 HydrophobicContact CG2-CG1 4.16Å; V427-V442 HydrophobicContact CG1-CG2 3.95Å; V427-V442 HydrophobicContact CG2-CG2 4.01Å; V427-L447 HydrophobicContact CG2-CD1 3.86Å
428G96.8Very high96.9Very high13 Ų1358.5 Ų58.513%0.13433%0.331CS..Hα-helixtrans-60-39.8-18000000112.9G424 D425 C431 A432G424-G428 PolarHBondContact O-N 3.49Å; D425-G428 PolarHBondContact O-N 2.75Å; G428-C431 PolarHBondContact O-N 3.27Å; G428-A432 WeakPolarHBondContact O-CB 3.41Å; G428-A432 PolarHBondContact O-N 2.85Å
429K97.5Very high97Very high130 Ų13058.4 Ų58.457%0.56533%0.328SS*.Hα-helixtrans-62.2-46.1175-176.2174.2175.8179.40112.1D425 I426 V427 A432 E433D425-K429 WeakPolarHBondContact O-CB 3.4Å; D425-K429 PolarHBondContact O-N 2.77Å; I426-K429 PolarHBondContact O-N 3.28Å; V427-K429 VanDerWaalsContact C-N 3.31Å; V427-K429 PolarHBondContact O-N 2.91Å; K429-A432 PolarHBondContact O-N 3.18Å; K429-E433 WeakPolarHBondContact CE-OE1 3.15Å; K429-E433 HydrophobicContact CG-CG 4.48Å; K429-E433 IonicContact NZ-OE1 2.82Å; K429-E433 WeakPolarHBondContact O-CB 3.46Å; K429-E433 WeakPolarHBondContact O-CG 3.25Å; K429-E433 PolarHBondContact O-N 3.01Å
430I98Very high97Very high46 Ų4662.2 Ų62.224%0.23635%0.346CS..Hα-helixtrans-63.3-43.5177.5-65.5165000110.5I426 V427 A432 E433 T434 V441I426-I430 HydrophobicContact CG2-CD1 3.9Å; I426-I430 VanDerWaalsContact O-CG1 3.31Å; I426-I430 WeakPolarHBondContact O-CG1 3.28Å; I426-I430 PolarHBondContact O-N 3.42Å; V427-I430 PolarHBondContact O-N 3.35Å; I430-A432 VanDerWaalsContact C-N 3.34Å; I430-A432 PolarHBondContact O-N 3.42Å; I430-E433 PolarHBondContact O-N 2.87Å; I430-T434 HydrophobicContact CG2-CG2 4.13Å; I430-T434 WeakPolarHBondContact O-CB 3.34Å; I430-T434 WeakPolarHBondContact O-CG2 3.34Å; I430-T434 PolarHBondContact O-N 3.24Å; I430-T434 PolarHBondContact O-OG1 3.32Å; I430-V441 HydrophobicContact CB-CG1 3.93Å; I430-V441 HydrophobicContact CB-CG2 4.39Å; I430-V441 HydrophobicContact CD1-CG1 4Å; I430-V441 HydrophobicContact CG2-CB 4.48Å; I430-V441 HydrophobicContact CG2-CG1 3.83Å; I430-V441 HydrophobicContact CG2-CG2 3.73Å
431C97.5Very high97.1Very high4 Ų460.7 Ų60.73%0.02733%0.33CS..Hα-helixtrans-58.3-45.9175.8-68.60000111.6I409 V427 G428 E433 T434 G435 K436I409-C431 HydrophobicContact CD1-CB 3.87Å; I409-C431 HydrophobicContact CG1-CB 3.79Å; I409-C431 HydrophobicContact CG2-CB 4.43Å; V427-C431 PolarHBondContact O-N 2.64Å; V427-C431 PolarHBondContact O-SG 2.81Å; V427-C431 VanDerWaalsContact O-SG 3.35Å; G428-C431 PolarHBondContact O-N 3.27Å; C431-E433 PolarHBondContact O-N 3.35Å; C431-T434 PolarHBondContact O-N 3.25Å; C431-G435 WeakPolarHBondContact O-CA 3.3Å; C431-G435 PolarHBondContact O-N 3.12Å; C431-K436 WeakPolarHBondContact CB-O 3.16Å; C431-K436 PolarHBondContact SG-O 2.86Å
432A96.2Very high97.2Very high73 Ų7355.1 Ų55.160%0.60330%0.304SS*.Hα-helixtrans-64.7-3817900000113I409 G428 K429 I430I409-A432 HydrophobicContact CD1-CB 3.75Å; G428-A432 WeakPolarHBondContact O-CB 3.41Å; G428-A432 PolarHBondContact O-N 2.85Å; K429-A432 PolarHBondContact O-N 3.18Å; I430-A432 VanDerWaalsContact C-N 3.34Å; I430-A432 PolarHBondContact O-N 3.42Å
433E97.4Very high97.2Very high135 Ų13551.9 Ų51.963%0.63129%0.291SS*.Hα-helixtrans-76.4-32.8-179.6-73173.7174.500113K429 I430 C431K429-E433 WeakPolarHBondContact CE-OE1 3.15Å; K429-E433 HydrophobicContact CG-CG 4.48Å; K429-E433 IonicContact NZ-OE1 2.82Å; K429-E433 WeakPolarHBondContact O-CB 3.46Å; K429-E433 WeakPolarHBondContact O-CG 3.25Å; K429-E433 PolarHBondContact O-N 3.01Å; I430-E433 PolarHBondContact O-N 2.87Å; C431-E433 PolarHBondContact O-N 3.35Å
434T97.1Very high97.1Very high78 Ų7855.9 Ų55.948%0.47931%0.308SS..Hα-helixtrans-110.3-18.5-169.165.30000114.7I430 C431 K436I430-T434 HydrophobicContact CG2-CG2 4.13Å; I430-T434 WeakPolarHBondContact O-CB 3.34Å; I430-T434 WeakPolarHBondContact O-CG2 3.34Å; I430-T434 PolarHBondContact O-N 3.24Å; I430-T434 PolarHBondContact O-OG1 3.32Å; C431-T434 PolarHBondContact O-N 3.25Å; T434-K436 PolarHBondContact O-N 3.01Å; T434-K436 WeakPolarHBondContact OG1-CG 3.44Å; T434-K436 PolarHBondContact OG1-N 2.95Å
435G95.4Very high97.1Very high72 Ų7260 Ų6074%0.74232%0.323SS*.  trans74.63-17200000114.6C431C431-G435 WeakPolarHBondContact O-CA 3.3Å; C431-G435 PolarHBondContact O-N 3.12Å
436K96.7Very high97.1Very high75 Ų7558.9 Ų58.933%0.32633%0.332SS..  trans-67.4148.1172.7-67.2-174-176.1-170.30111.1C431 T434 E440 V441 E444C431-K436 WeakPolarHBondContact CB-O 3.16Å; C431-K436 PolarHBondContact SG-O 2.86Å; T434-K436 PolarHBondContact O-N 3.01Å; T434-K436 WeakPolarHBondContact OG1-CG 3.44Å; T434-K436 PolarHBondContact OG1-N 2.95Å; K436-E440 HydrophobicContact CB-CB 4.45Å; K436-V441 HydrophobicContact CB-CG2 3.76Å; K436-V441 HydrophobicContact CD-CG2 4.3Å; K436-E444 IonicContact NZ-OE1 3.91Å; K436-E444 PolarHBondContact NZ-OE1 2.93Å; K436-E444 IonicContact NZ-OE2 2.66Å; K436-E444 PolarHBondContact NZ-OE2 3.33Å
437S96Very high97Very high38 Ų3858.6 Ų58.627%0.26633%0.331SS..  trans-67.3156.317467.70000112R439 E440 V441S437-R439 PolarHBondContact O-N 3.13Å; S437-E440 WeakPolarHBondContact CB-OE2 3.49Å; S437-E440 PolarHBondContact N-OE2 3.3Å; S437-E440 PolarHBondContact O-N 3.42Å; S437-E440 VanDerWaalsContact OG-CD 3.25Å; S437-E440 WeakPolarHBondContact OG-CG 3.33Å; S437-E440 PolarHBondContact OG-N 3.14Å; S437-E440 PolarHBondContact OG-OE2 2.87Å; S437-V441 PolarHBondContact O-N 2.81Å
438V97.2Very high97Very high4 Ų459.4 Ų59.42%0.02434%0.335CS..Hα-helixtrans-56-40174.9175.20000110.9I411 V412 L415 V427 V441 V442 F457I411-V438 HydrophobicContact CD1-CB 4.22Å; I411-V438 HydrophobicContact CD1-CG2 4.41Å; I411-V438 HydrophobicContact CG1-CB 4.01Å; I411-V438 HydrophobicContact CG1-CG1 4.31Å; I411-V438 HydrophobicContact CG1-CG2 3.87Å; V412-V438 HydrophobicContact CB-CG1 3.96Å; V412-V438 HydrophobicContact CB-CG2 4.23Å; V412-V438 HydrophobicContact CG2-CG1 4.09Å; L415-V438 HydrophobicContact CD1-CG1 3.99Å; V427-V438 HydrophobicContact CG1-CG1 4.05Å; V438-V441 PolarHBondContact O-N 3.2Å; V438-V442 HydrophobicContact CG1-CG2 4.19Å; V438-V442 WeakPolarHBondContact O-CB 3.47Å; V438-V442 WeakPolarHBondContact O-CG2 3.49Å; V438-V442 PolarHBondContact O-N 3Å; V438-F457 HydrophobicContact CG1-CE2 4.3Å; V438-F457 HydrophobicContact CG1-CZ 3.94Å
439R96.6Very high97Very high71 Ų7162.5 Ų62.527%0.26835%0.351SS..Hα-helixtrans-59.9-50.4178.4-174.4-177.6-175.1108-5.3111.8S437 V441 V442 L443 E450 L453 D454S437-R439 PolarHBondContact O-N 3.13Å; R439-V441 PolarHBondContact O-N 2.99Å; R439-V442 PolarHBondContact O-N 3.06Å; R439-L443 HydrophobicContact CG-CD1 4.08Å; R439-L443 WeakPolarHBondContact O-CG 3.28Å; R439-L443 PolarHBondContact O-N 3.04Å; R439-L443 VanDerWaalsContact O-N 3.08Å; R439-E450 IonicContact NH2-OE1 2.74Å; R439-E450 PolarHBondContact NH2-OE1 3.19Å; R439-E450 VanDerWaalsContact NH2-OE1 3.11Å; R439-L453 HydrophobicContact CG-CD1 4.03Å; R439-D454 IonicContact CZ-OD1 3.12Å; R439-D454 IonicContact NH1-OD1 3.42Å; R439-D454 PolarHBondContact NH1-OD1 3.4Å; R439-D454 IonicContact NH2-OD1 2.86Å; R439-D454 PolarHBondContact NH2-OD1 2.85Å; R439-D454 IonicContact NH2-OD2 3.25Å
440E96.5Very high97Very high97 Ų9761.7 Ų61.745%0.45335%0.35SS..Hα-helixtrans-59.6-48.1-179.6-72.5163.2138.900111.4K436 S437 V442 L443 E444K436-E440 HydrophobicContact CB-CB 4.45Å; S437-E440 WeakPolarHBondContact CB-OE2 3.49Å; S437-E440 PolarHBondContact N-OE2 3.3Å; S437-E440 PolarHBondContact O-N 3.42Å; S437-E440 VanDerWaalsContact OG-CD 3.25Å; S437-E440 WeakPolarHBondContact OG-CG 3.33Å; S437-E440 PolarHBondContact OG-N 3.14Å; S437-E440 PolarHBondContact OG-OE2 2.87Å; E440-V442 VanDerWaalsContact C-N 3.34Å; E440-V442 PolarHBondContact O-N 3.13Å; E440-L443 PolarHBondContact O-N 3.19Å; E440-E444 WeakPolarHBondContact O-CB 3.43Å; E440-E444 WeakPolarHBondContact O-CG 3.19Å; E440-E444 PolarHBondContact O-N 3.11Å
441V97.7Very high96.9Very high1 Ų162.9 Ų62.91%0.00637%0.366CS..Hα-helixtrans-65.1-37.6-178.1177.90000111.9V427 I430 K436 S437 V438 R439 R445V427-V441 HydrophobicContact CB-CG1 4.29Å; V427-V441 HydrophobicContact CG1-CB 4.23Å; V427-V441 HydrophobicContact CG1-CG1 4.02Å; V427-V441 HydrophobicContact CG2-CG1 4.16Å; I430-V441 HydrophobicContact CB-CG1 3.93Å; I430-V441 HydrophobicContact CB-CG2 4.39Å; I430-V441 HydrophobicContact CD1-CG1 4Å; I430-V441 HydrophobicContact CG2-CB 4.48Å; I430-V441 HydrophobicContact CG2-CG1 3.83Å; I430-V441 HydrophobicContact CG2-CG2 3.73Å; K436-V441 HydrophobicContact CB-CG2 3.76Å; K436-V441 HydrophobicContact CD-CG2 4.3Å; S437-V441 PolarHBondContact O-N 2.81Å; V438-V441 PolarHBondContact O-N 3.2Å; R439-V441 PolarHBondContact O-N 2.99Å; V441-R445 WeakPolarHBondContact O-CB 3.29Å; V441-R445 VanDerWaalsContact O-CG 3.3Å; V441-R445 WeakPolarHBondContact O-CG 3.35Å; V441-R445 PolarHBondContact O-N 2.99Å; V441-R445 VanDerWaalsContact O-N 3.12Å
442V97.9Very high96.9Very high0 Ų066.6 Ų66.60%038%0.384CS..Hα-helixtrans-68-42.2178.9171.90000111.6L415 V427 V438 R439 E440 R445 G446 L447 L448 L453L415-V442 HydrophobicContact CD1-CG1 4.45Å; L415-V442 HydrophobicContact CD1-CG2 3.5Å; V427-V442 HydrophobicContact CG1-CG2 3.95Å; V427-V442 HydrophobicContact CG2-CG2 4.01Å; V438-V442 HydrophobicContact CG1-CG2 4.19Å; V438-V442 WeakPolarHBondContact O-CB 3.47Å; V438-V442 WeakPolarHBondContact O-CG2 3.49Å; V438-V442 PolarHBondContact O-N 3Å; R439-V442 PolarHBondContact O-N 3.06Å; E440-V442 VanDerWaalsContact C-N 3.34Å; E440-V442 PolarHBondContact O-N 3.13Å; V442-R445 PolarHBondContact O-N 3.36Å; V442-G446 PolarHBondContact O-N 3.4Å; V442-L447 HydrophobicContact CG1-CB 4.07Å; V442-L447 PolarHBondContact O-N 3.28Å; V442-L447 VanDerWaalsContact O-N 3.16Å; V442-L448 HydrophobicContact CG1-CB 3.82Å; V442-L448 HydrophobicContact CG1-CD1 4.25Å; V442-L448 HydrophobicContact CG1-CG 4.21Å; V442-L453 HydrophobicContact CB-CD1 4.19Å; V442-L453 HydrophobicContact CG1-CD1 3.88Å; V442-L453 HydrophobicContact CG1-CD2 4.05Å; V442-L453 HydrophobicContact CG1-CG 4.36Å
443L97.5Very high96.9Very high66 Ų6663.1 Ų63.135%0.34636%0.355SS..Hα-helixtrans-66.7-44.9176.5-70.2174.2000111.7R439 E440 R445 G446 E450 L453R439-L443 HydrophobicContact CG-CD1 4.08Å; R439-L443 WeakPolarHBondContact O-CG 3.28Å; R439-L443 PolarHBondContact O-N 3.04Å; R439-L443 VanDerWaalsContact O-N 3.08Å; E440-L443 PolarHBondContact O-N 3.19Å; L443-R445 PolarHBondContact O-N 3.19Å; L443-G446 PolarHBondContact O-N 3.47Å; L443-E450 HydrophobicContact CD2-CB 4.31Å; L443-L453 HydrophobicContact CD1-CD1 4.45Å; L443-L453 HydrophobicContact CD2-CD1 3.81Å; L443-L453 HydrophobicContact CG-CD1 3.77Å
444E97.1Very high96.8Very high126 Ų12660.6 Ų60.659%0.58935%0.345SS*.Hα-helixtrans-59.3-34.5176.9-78.1-179.8-179.900112.5K436 E440 G446K436-E444 IonicContact NZ-OE1 3.91Å; K436-E444 PolarHBondContact NZ-OE1 2.93Å; K436-E444 IonicContact NZ-OE2 2.66Å; K436-E444 PolarHBondContact NZ-OE2 3.33Å; E440-E444 WeakPolarHBondContact O-CB 3.43Å; E440-E444 WeakPolarHBondContact O-CG 3.19Å; E440-E444 PolarHBondContact O-N 3.11Å; E444-G446 VanDerWaalsContact C-N 3.33Å
445R96.8Very high96.8Very high89 Ų8960.9 Ų60.934%0.33634%0.344SS..THydrogen-bonded Turntrans-86-2.8178-67.7-173.369.3-155.3-3.3113.8I426 V441 V442 L443 L447I426-R445 VanDerWaalsContact CB-NH1 3.33Å; V441-R445 WeakPolarHBondContact O-CB 3.29Å; V441-R445 VanDerWaalsContact O-CG 3.3Å; V441-R445 WeakPolarHBondContact O-CG 3.35Å; V441-R445 PolarHBondContact O-N 2.99Å; V441-R445 VanDerWaalsContact O-N 3.12Å; V442-R445 PolarHBondContact O-N 3.36Å; L443-R445 PolarHBondContact O-N 3.19Å; R445-L447 HydrophobicContact CB-CD1 4.06Å; R445-L447 HydrophobicContact CB-CG 3.88Å; R445-L447 PolarHBondContact O-N 3.16Å
446G96.7Very high96.8Very high65 Ų6557.7 Ų57.767%0.6731%0.31SS*.THydrogen-bonded Turntrans60.229.7-179.700000113.7V442 L443 E444V442-G446 PolarHBondContact O-N 3.4Å; L443-G446 PolarHBondContact O-N 3.47Å; E444-G446 VanDerWaalsContact C-N 3.33Å
447L97.2Very high96.8Very high47 Ų4755.3 Ų55.325%0.24630%0.3CS..SBendtrans-81.4-31.6-176.4-68.9173.4000112.6I419 N423 V427 V442 R445I419-L447 HydrophobicContact CD1-CD1 4.19Å; I419-L447 HydrophobicContact CG2-CB 4.03Å; N423-L447 HydrophobicContact CB-CD1 4.26Å; V427-L447 HydrophobicContact CG2-CD1 3.86Å; V442-L447 HydrophobicContact CG1-CB 4.07Å; V442-L447 PolarHBondContact O-N 3.28Å; V442-L447 VanDerWaalsContact O-N 3.16Å; R445-L447 HydrophobicContact CB-CD1 4.06Å; R445-L447 HydrophobicContact CB-CG 3.88Å; R445-L447 PolarHBondContact O-N 3.16Å
448L97.3Very high96.8Very high17 Ų1755.2 Ų55.29%0.08930%0.299CS..SBendtrans-144.5155.8176.2-68.1173.2000109.6L415 F418 I419 V442 E452 L453 I456L415-L448 HydrophobicContact CD1-CD1 4.48Å; L415-L448 HydrophobicContact CD2-CD1 3.81Å; F418-L448 HydrophobicContact CB-CD1 4.45Å; F418-L448 HydrophobicContact CB-CD2 4.07Å; I419-L448 HydrophobicContact CG2-CD1 4.07Å; I419-L448 HydrophobicContact CG2-CD2 4.22Å; I419-L448 HydrophobicContact CG2-CG 3.86Å; V442-L448 HydrophobicContact CG1-CB 3.82Å; V442-L448 HydrophobicContact CG1-CD1 4.25Å; V442-L448 HydrophobicContact CG1-CG 4.21Å; L448-E452 HydrophobicContact CB-CB 4.39Å; L448-E452 HydrophobicContact CD2-CB 4.41Å; L448-L453 HydrophobicContact CB-CD2 4.32Å; L448-L453 HydrophobicContact CB-CG 4.13Å; L448-L453 HydrophobicContact CD1-CD2 3.86Å; L448-I456 HydrophobicContact CD1-CD1 4.02Å
449T97.2Very high96.6Very high78 Ų7858.4 Ų58.448%0.47932%0.318SS..  trans-79.1162.7172.664.10000111.6A451 E452 L453T449-A451 VanDerWaalsContact C-N 3.31Å; T449-A451 PolarHBondContact O-N 3.44Å; T449-E452 WeakPolarHBondContact CB-OE2 3.43Å; T449-E452 PolarHBondContact N-OE2 3.18Å; T449-E452 PolarHBondContact O-N 3.12Å; T449-E452 VanDerWaalsContact OG1-CG 3.27Å; T449-E452 WeakPolarHBondContact OG1-CG 3.13Å; T449-E452 PolarHBondContact OG1-N 3.02Å; T449-E452 PolarHBondContact OG1-OE2 3.35Å; T449-L453 PolarHBondContact O-N 2.93Å; T449-L453 VanDerWaalsContact O-N 3.09Å
450E97Very high96.5Very high113 Ų11360.8 Ų60.853%0.52833%0.333SS..Hα-helixtrans-60.8-40.4176.5-167.5165.7-158.900112.4R439 L443 E452 L453 D454R439-E450 IonicContact NH2-OE1 2.74Å; R439-E450 PolarHBondContact NH2-OE1 3.19Å; R439-E450 VanDerWaalsContact NH2-OE1 3.11Å; L443-E450 HydrophobicContact CD2-CB 4.31Å; E450-E452 PolarHBondContact O-N 3.35Å; E450-L453 PolarHBondContact O-N 3.3Å; E450-D454 PolarHBondContact O-N 2.96Å
451A96.7Very high96.5Very high71 Ų7156.5 Ų56.559%0.58731%0.313SS*.Hα-helixtrans-65.1-38.8178.300000112.9T449 D454 D455T449-A451 VanDerWaalsContact C-N 3.31Å; T449-A451 PolarHBondContact O-N 3.44Å; A451-D454 PolarHBondContact O-N 3.38Å; A451-D455 PolarHBondContact O-N 2.9Å; A451-D455 VanDerWaalsContact O-N 3.08Å
452E96.3Very high96.5Very high83 Ų8356.6 Ų56.639%0.38831%0.313SS..Hα-helixtrans-64.8-42.3174.2-72.7165.513400111L448 T449 E450 D455 I456L448-E452 HydrophobicContact CB-CB 4.39Å; L448-E452 HydrophobicContact CD2-CB 4.41Å; T449-E452 WeakPolarHBondContact CB-OE2 3.43Å; T449-E452 PolarHBondContact N-OE2 3.18Å; T449-E452 PolarHBondContact O-N 3.12Å; T449-E452 VanDerWaalsContact OG1-CG 3.27Å; T449-E452 WeakPolarHBondContact OG1-CG 3.13Å; T449-E452 PolarHBondContact OG1-N 3.02Å; T449-E452 PolarHBondContact OG1-OE2 3.35Å; E450-E452 PolarHBondContact O-N 3.35Å; E452-D455 PolarHBondContact O-N 3.37Å; E452-I456 WeakPolarHBondContact O-CB 3.42Å; E452-I456 WeakPolarHBondContact O-CD1 3.35Å; E452-I456 WeakPolarHBondContact O-CG1 3.46Å; E452-I456 PolarHBondContact O-N 3.48Å
453L96.8Very high96.3Very high0 Ų057 Ų570%032%0.315CS..Hα-helixtrans-66.2-38.6176.8-72.3177.3000112.6L415 R439 V442 L443 L448 T449 E450 D455 I456 F457L415-L453 HydrophobicContact CD1-CD2 4.38Å; L415-L453 HydrophobicContact CD2-CD2 3.93Å; R439-L453 HydrophobicContact CG-CD1 4.03Å; V442-L453 HydrophobicContact CB-CD1 4.19Å; V442-L453 HydrophobicContact CG1-CD1 3.88Å; V442-L453 HydrophobicContact CG1-CD2 4.05Å; V442-L453 HydrophobicContact CG1-CG 4.36Å; L443-L453 HydrophobicContact CD1-CD1 4.45Å; L443-L453 HydrophobicContact CD2-CD1 3.81Å; L443-L453 HydrophobicContact CG-CD1 3.77Å; L448-L453 HydrophobicContact CB-CD2 4.32Å; L448-L453 HydrophobicContact CB-CG 4.13Å; L448-L453 HydrophobicContact CD1-CD2 3.86Å; T449-L453 PolarHBondContact O-N 2.93Å; T449-L453 VanDerWaalsContact O-N 3.09Å; E450-L453 PolarHBondContact O-N 3.3Å; L453-D455 VanDerWaalsContact C-N 3.33Å; L453-I456 PolarHBondContact O-N 3.49Å; L453-F457 HydrophobicContact CD2-CD2 4.14Å; L453-F457 HydrophobicContact CD2-CE2 3.73Å; L453-F457 HydrophobicContact CD2-CZ 4.34Å; L453-F457 VanDerWaalsContact O-CB 3.31Å; L453-F457 WeakPolarHBondContact O-CB 3.3Å; L453-F457 PolarHBondContact O-N 2.92Å
454D95.9Very high96.1Very high81 Ų8158.2 Ų58.243%0.43332%0.319SS..Hα-helixtrans-61.9-41.6174.7-74.9-20.5000112R439 E450 A451 S458R439-D454 IonicContact CZ-OD1 3.12Å; R439-D454 IonicContact NH1-OD1 3.42Å; R439-D454 PolarHBondContact NH1-OD1 3.4Å; R439-D454 IonicContact NH2-OD1 2.86Å; R439-D454 PolarHBondContact NH2-OD1 2.85Å; R439-D454 IonicContact NH2-OD2 3.25Å; E450-D454 PolarHBondContact O-N 2.96Å; A451-D454 PolarHBondContact O-N 3.38Å; D454-S458 WeakPolarHBondContact O-CA 3.33Å; D454-S458 WeakPolarHBondContact O-CB 3.42Å; D454-S458 PolarHBondContact O-N 3.28Å
455D95.7Very high95.9Very high85 Ų8556.3 Ų56.346%0.45532%0.317SS..Hα-helixtrans-68.7-48176.6-176.654.2000111.5A451 E452 L453 S458 K468A451-D455 PolarHBondContact O-N 2.9Å; A451-D455 VanDerWaalsContact O-N 3.08Å; E452-D455 PolarHBondContact O-N 3.37Å; L453-D455 VanDerWaalsContact C-N 3.33Å; D455-S458 WeakPolarHBondContact O-CB 3.42Å; D455-S458 PolarHBondContact O-N 3.08Å; D455-S458 PolarHBondContact O-OG 3.41Å; D455-K468 PolarHBondContact O-NZ 3.47Å; D455-K468 IonicContact OD1-NZ 3.23Å; D455-K468 PolarHBondContact OD1-NZ 3.37Å; D455-K468 WeakPolarHBondContact OD2-CD 3.49Å; D455-K468 IonicContact OD2-NZ 2.74Å; D455-K468 PolarHBondContact OD2-NZ 3.04Å
456I96.5Very high95.7Very high4 Ų454.9 Ų54.92%0.02133%0.325CS..Hα-helixtrans-67-43.1-177.1-65162.4000111.6L415 F418 L448 E452 L453 S458 N461L415-I456 HydrophobicContact CD2-CD1 4.18Å; L415-I456 HydrophobicContact CD2-CG2 3.88Å; F418-I456 HydrophobicContact CD1-CD1 4.21Å; F418-I456 HydrophobicContact CD2-CD1 3.77Å; F418-I456 HydrophobicContact CE1-CD1 4.04Å; F418-I456 HydrophobicContact CE1-CG1 4.49Å; F418-I456 HydrophobicContact CE2-CD1 3.58Å; F418-I456 HydrophobicContact CE2-CG1 3.89Å; F418-I456 HydrophobicContact CG-CD1 4.08Å; F418-I456 HydrophobicContact CZ-CD1 3.71Å; F418-I456 HydrophobicContact CZ-CG1 3.85Å; L448-I456 HydrophobicContact CD1-CD1 4.02Å; E452-I456 WeakPolarHBondContact O-CB 3.42Å; E452-I456 WeakPolarHBondContact O-CD1 3.35Å; E452-I456 WeakPolarHBondContact O-CG1 3.46Å; E452-I456 PolarHBondContact O-N 3.48Å; L453-I456 PolarHBondContact O-N 3.49Å; I456-S458 VanDerWaalsContact C-N 3.34Å; I456-N461 PolarHBondContact O-ND2 3.18Å
457F95.8Very high95.5Very high26 Ų2658.3 Ų58.311%0.11432%0.318CS..THydrogen-bonded Turntrans-92.913.3179.4-61.4-32.7000113.9I411 L415 V438 L453 V459 L462I411-F457 HydrophobicContact CB-CE1 4.15Å; I411-F457 HydrophobicContact CD1-CE1 4.39Å; I411-F457 HydrophobicContact CD1-CE2 4.37Å; I411-F457 HydrophobicContact CD1-CZ 4.21Å; I411-F457 HydrophobicContact CG1-CE1 4.15Å; I411-F457 HydrophobicContact CG1-CZ 4.07Å; I411-F457 WeakPolarHBondContact O-CE1 3.37Å; L415-F457 HydrophobicContact CD1-CZ 3.98Å; L415-F457 HydrophobicContact CD2-CE1 3.87Å; L415-F457 HydrophobicContact CD2-CE2 4.42Å; L415-F457 HydrophobicContact CD2-CZ 3.66Å; L415-F457 HydrophobicContact CG-CE1 4.31Å; L415-F457 HydrophobicContact CG-CZ 3.93Å; V438-F457 HydrophobicContact CG1-CE2 4.3Å; V438-F457 HydrophobicContact CG1-CZ 3.94Å; L453-F457 HydrophobicContact CD2-CD2 4.14Å; L453-F457 HydrophobicContact CD2-CE2 3.73Å; L453-F457 HydrophobicContact CD2-CZ 4.34Å; L453-F457 VanDerWaalsContact O-CB 3.31Å; L453-F457 WeakPolarHBondContact O-CB 3.3Å; L453-F457 PolarHBondContact O-N 2.92Å; F457-V459 PolarHBondContact O-N 3.24Å; F457-L462 HydrophobicContact CD1-CD2 4.35Å
458S95.4Very high95.3Very high36 Ų3659.3 Ų59.325%0.25232%0.321SS..  trans-54.9140.3171.559.10000111.1D454 D455 I456 Q460 N461 L462D454-S458 WeakPolarHBondContact O-CA 3.33Å; D454-S458 WeakPolarHBondContact O-CB 3.42Å; D454-S458 PolarHBondContact O-N 3.28Å; D455-S458 WeakPolarHBondContact O-CB 3.42Å; D455-S458 PolarHBondContact O-N 3.08Å; D455-S458 PolarHBondContact O-OG 3.41Å; I456-S458 VanDerWaalsContact C-N 3.34Å; S458-Q460 PolarHBondContact O-N 3.27Å; S458-Q460 VanDerWaalsContact O-N 3.14Å; S458-N461 WeakPolarHBondContact O-CA 3.39Å; S458-N461 PolarHBondContact O-N 3.24Å; S458-N461 VanDerWaalsContact OG-CB 3.31Å; S458-N461 WeakPolarHBondContact OG-CB 3.21Å; S458-L462 PolarHBondContact O-N 2.78Å
459V94.6Very high94.9Very high71 Ų7159 Ų5943%0.4332%0.321SS..Hα-helixtrans-49.3-44.5179.3175.50000111.2L185 F457 N461 L462 M463L185-V459 HydrophobicContact CD1-CG1 3.94Å; F457-V459 PolarHBondContact O-N 3.24Å; V459-N461 VanDerWaalsContact C-N 3.32Å; V459-N461 PolarHBondContact O-N 2.76Å; V459-L462 PolarHBondContact O-N 3.27Å; V459-M463 HydrophobicContact CG1-CG 4.34Å; V459-M463 HydrophobicContact CG1-SD 3.67Å; V459-M463 VanDerWaalsContact O-CG 3.28Å; V459-M463 WeakPolarHBondContact O-CG 3.41Å; V459-M463 PolarHBondContact O-N 3.04Å
460Q94.8Very high94.5Very high121 Ų12161.2 Ų61.257%0.56532%0.324SS*.Hα-helixtrans-59.6-41.3178.3-17263.413.800112.5S458 M463 H464S458-Q460 PolarHBondContact O-N 3.27Å; S458-Q460 VanDerWaalsContact O-N 3.14Å; Q460-M463 PolarHBondContact O-N 3.4Å; Q460-H464 PolarHBondContact NE2-CD2 2.74Å; Q460-H464 WeakPolarHBondContact O-CA 3.29Å; Q460-H464 WeakPolarHBondContact O-CB 3.31Å; Q460-H464 PolarHBondContact O-N 3.31Å
461N96.2Very high94.1Very high7 Ų764.1 Ų64.14%0.03733%0.33CS..Hα-helixtrans-75-31.3179.4-164.353.9000112.2I456 S458 V459 H464 P465 A466 K468I456-N461 PolarHBondContact O-ND2 3.18Å; S458-N461 WeakPolarHBondContact O-CA 3.39Å; S458-N461 PolarHBondContact O-N 3.24Å; S458-N461 VanDerWaalsContact OG-CB 3.31Å; S458-N461 WeakPolarHBondContact OG-CB 3.21Å; V459-N461 VanDerWaalsContact C-N 3.32Å; V459-N461 PolarHBondContact O-N 2.76Å; N461-H464 CarbonylContact O-C 3.55Å; N461-P465 WeakPolarHBondContact O-CA 3.33Å; N461-A466 PolarHBondContact OD1-N 2.66Å; N461-K468 WeakPolarHBondContact OD1-CE 3.36Å
462L96.2Very high93.5Very high2 Ų268.9 Ų68.91%0.0133%0.334CS..Hα-helixtrans-70.3-32.3173.5-61.7-179.2000112.2L185 P197 V405 Y406 Y414 F457 S458 V459L185-L462 HydrophobicContact CD1-CB 4.11Å; L185-L462 HydrophobicContact CD1-CD1 4.39Å; L185-L462 HydrophobicContact CD2-CB 3.88Å; P197-L462 HydrophobicContact CB-CB 4.32Å; P197-L462 HydrophobicContact CG-CD2 4.29Å; V405-L462 HydrophobicContact CG1-CD1 4.04Å; Y406-L462 HydrophobicContact CE1-CD1 4.06Å; Y414-L462 HydrophobicContact CD1-CD2 4.33Å; Y414-L462 HydrophobicContact CE1-CD2 4.03Å; Y414-L462 HydrophobicContact CE2-CD2 4.35Å; F457-L462 HydrophobicContact CD1-CD2 4.35Å; S458-L462 PolarHBondContact O-N 2.78Å; V459-L462 PolarHBondContact O-N 3.27Å
463M94.6Very high92.9Very high9 Ų968.7 Ų68.74%0.04434%0.339CS..Hα-helixtrans-80.4-40.2176.3-68.5174.652.900112.5D183 L185 T199 Q202 V459 Q460D183-M463 HydrophobicContact CB-CE 4.17Å; D183-M463 WeakPolarHBondContact OD1-CE 3.26Å; L185-M463 HydrophobicContact CD1-CG 4.14Å; L185-M463 HydrophobicContact CD2-CB 4.37Å; L185-M463 HydrophobicContact CD2-CG 3.51Å; L185-M463 HydrophobicContact CG-CG 3.56Å; L185-M463 HydrophobicContact CG-SD 4.41Å; T199-M463 HydrophobicContact CG2-CB 3.82Å; T199-M463 HydrophobicContact CG2-CE 4.07Å; T199-M463 HydrophobicContact CG2-CG 3.79Å; Q202-M463 PolarHBondContact NE2-O 2.97Å; Q202-M463 VanDerWaalsContact NE2-O 3.12Å; V459-M463 HydrophobicContact CG1-CG 4.34Å; V459-M463 HydrophobicContact CG1-SD 3.67Å; V459-M463 VanDerWaalsContact O-CG 3.28Å; V459-M463 WeakPolarHBondContact O-CG 3.41Å; V459-M463 PolarHBondContact O-N 3.04Å; Q460-M463 PolarHBondContact O-N 3.4Å
464H93.5Very high92Very high91 Ų9176 Ų7642%0.42138%0.377SS..SBendtrans-133.481-174.4-58.2-63.4000109.8Q460 N461 A466Q460-H464 PolarHBondContact NE2-CD2 2.74Å; Q460-H464 WeakPolarHBondContact O-CA 3.29Å; Q460-H464 WeakPolarHBondContact O-CB 3.31Å; Q460-H464 PolarHBondContact O-N 3.31Å; N461-H464 CarbonylContact O-C 3.55Å; H464-A466 PolarHBondContact O-N 3.32Å
465P93.2Very high90.7Very high86 Ų8680.2 Ų80.256%0.55840%0.395SS*.  trans-58.9124.5-173.3-24.234.3000112.3Y414 N461Y414-P465 HydrophobicContact CE1-CB 4.22Å; Y414-P465 HydrophobicContact CE1-CG 4.32Å; Y414-P465 WeakPolarHBondContact OH-CG 3.46Å; N461-P465 WeakPolarHBondContact O-CA 3.33Å
466A92.5Very high89.2Confident60 Ų6077.9 Ų77.950%0.49639%0.385SS..  trans-106.2142.8170.300000110.2N461 H464 K468N461-A466 PolarHBondContact OD1-N 2.66Å; H464-A466 PolarHBondContact O-N 3.32Å; A466-K468 HydrophobicContact CB-CG 4.28Å; A466-K468 PolarHBondContact O-N 2.65Å; A466-K468 VanDerWaalsContact O-N 3.07Å
467Y93.1Very high87.2Confident136 Ų13685.4 Ų85.453%0.53342%0.42SS..  trans-74.1101.6170.3-171.5-88.3000109.5A469 R471Y467-A469 HydrophobicContact CE1-CB 4.02Å; Y467-A469 WeakPolarHBondContact CE1-O 3.38Å; Y467-R471 HydrophobicContact CD1-CG 4.18Å; Y467-R471 HydrophobicContact CE1-CG 3.9Å
468K91.4Very high84.6Confident68 Ų6895.5 Ų95.530%0.29647%0.468SS..  trans-99.4-7.6-173-71.9-177.3168.4-153.20115.1F418 D455 N461 A466F418-K468 HydrophobicContact CZ-CB 3.8Å; D455-K468 PolarHBondContact O-NZ 3.47Å; D455-K468 IonicContact OD1-NZ 3.23Å; D455-K468 PolarHBondContact OD1-NZ 3.37Å; D455-K468 WeakPolarHBondContact OD2-CD 3.49Å; D455-K468 IonicContact OD2-NZ 2.74Å; D455-K468 PolarHBondContact OD2-NZ 3.04Å; N461-K468 WeakPolarHBondContact OD1-CE 3.36Å; A466-K468 HydrophobicContact CB-CG 4.28Å; A466-K468 PolarHBondContact O-N 2.65Å; A466-K468 VanDerWaalsContact O-N 3.07Å
469A90.6Very high84Confident11 Ų1198.5 Ų98.59%0.09148%0.479CS..SBendtrans-79.4166.4-177.600000113P417 F418 Y467 R471P417-A469 HydrophobicContact CB-CB 3.33Å; P417-A469 HydrophobicContact CG-CB 4.49Å; F418-A469 HydrophobicContact CD1-CB 4.46Å; F418-A469 HydrophobicContact CE1-CB 4.12Å; F418-A469 HydrophobicContact CE2-CB 4.38Å; F418-A469 HydrophobicContact CZ-CB 4.09Å; Y467-A469 HydrophobicContact CE1-CB 4.02Å; Y467-A469 WeakPolarHBondContact CE1-O 3.38Å; A469-R471 PolarHBondContact O-N 3.32Å
470K87.6Confident83.5Confident125 Ų12599.9 Ų99.954%0.54348%0.481SS..PPolyproline II helixtrans-53.7125.3175.6-176179.4177.7-1760109.5Y472K470-Y472 HydrophobicContact CD-CE1 4Å
471R89Confident82.8Confident174 Ų17498.8 Ų98.866%0.65748%0.476SS*.PPolyproline II helixtrans-92.6133.7166-62.6-177.3-175.9-173.11.7107.7Y467 A469 T473Y467-R471 HydrophobicContact CD1-CG 4.18Å; Y467-R471 HydrophobicContact CE1-CG 3.9Å; A469-R471 PolarHBondContact O-N 3.32Å; R471-T473 PolarHBondContact O-N 3.45Å
472Y83.7Confident82Confident170 Ų170104.2 Ų104.267%0.66750%0.502SS*.  trans-87.7105.1172.8-61.3-87.7000107.3K470 S476K470-Y472 HydrophobicContact CD-CE1 4Å; Y472-S476 WeakPolarHBondContact CA-OG 2.85Å
473T84.2Confident81.2Confident79 Ų79110.6 Ų110.649%0.48553%0.533SS..  trans-92.8160.2167.557.80000108.9R471 E475 S476R471-T473 PolarHBondContact O-N 3.45Å; T473-E475 PolarHBondContact O-N 3.49Å; T473-S476 PolarHBondContact N-OG 2.92Å; T473-S476 WeakPolarHBondContact O-CB 3.35Å; T473-S476 PolarHBondContact O-N 2.85Å; T473-S476 PolarHBondContact O-OG 3.38Å
474D78.3Confident80.3Confident153 Ų153117.3 Ų117.382%0.81857%0.566SS**G310 helixtrans-54.4-25.7178.8-61.5-20.4000112.9S476D474-S476 VanDerWaalsContact C-N 3.35Å
475E68.1Low79.3Confident171 Ų171119.2 Ų119.280%0.79958%0.576SS**G310 helixtrans-76.7-17.3176.5-65.3178.8164.900113.9T473T473-E475 PolarHBondContact O-N 3.49Å
476S63.3Low78.2Confident35 Ų35121.8 Ų121.825%0.24558%0.577CS.*G310 helixtrans-93.22-175.469.60000114.7Y472 T473 D474Y472-S476 WeakPolarHBondContact CA-OG 2.85Å; T473-S476 PolarHBondContact N-OG 2.92Å; T473-S476 WeakPolarHBondContact O-CB 3.35Å; T473-S476 PolarHBondContact O-N 2.85Å; T473-S476 PolarHBondContact O-OG 3.38Å; D474-S476 VanDerWaalsContact C-N 3.35Å
477E55.7Low77.1Confident163 Ų163126.9 Ų126.976%0.76258%0.584SS**G310 helixtrans-100.11174.6-67.5-168.9159.300113.7
478Q39.7Very low75.6Confident238 Ų238126.1 Ų126.1100%1.11259%0.589SS**  trans-94.70165.8-68.5-176.211.200110.6

Retrieved 478 of 478 residues in 514.5 ms (Link to these results)

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