G4VBG6_SCHMA Loading...

Ferritin

Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Has ferroxidase activity. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation. Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation.

AlphaFold DB , UniProt , Accession G4VBG6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 172 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	57.8	Low	90.1	Very high	234 Å²	234	106.4 Å²	106.4	100%	1.153	58%	0.578	S	S	*	*				0	141.7	0	-65.3	-177.4	-152.8	0	0	108.2
2	S	74.2	Confident	90.7	Very high	110 Å²	110	105 Å²	105	77%	0.769	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-62.7	146.5	174.2	62	0	0	0	0	110.3
3	S	85.3	Confident	91.3	Very high	107 Å²	107	102.9 Å²	102.9	75%	0.748	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-58.7	146	174.6	69.4	0	0	0	0	110.5	R5	S3-R5 PolarHBondContact O-N 3.26Å
4	S	96.4	Very high	91.8	Very high	27 Å²	27	95.6 Å²	95.6	19%	0.189	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-63.9	131.3	175.4	-176.2	0	0	0	0	109.9	A6 R7 G75	S4-A6 PolarHBondContact O-N 3.42Å; S4-R7 PolarHBondContact O-N 2.9Å; S4-G75 WeakPolarHBondContact CB-O 3.43Å; S4-G75 WeakPolarHBondContact OG-CA 3.42Å; S4-G75 PolarHBondContact OG-O 3.33Å
5	R	96.9	Very high	92.3	Very high	255 Å²	255	90.2 Å²	90.2	96%	0.962	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.4	179.4	-64.2	-177.9	-178.6	176.9	0.1	113.4	S3	S3-R5 PolarHBondContact O-N 3.26Å
6	A	97	Very high	92.7	Very high	62 Å²	62	89.8 Å²	89.8	51%	0.512	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-9.4	179.6	0	0	0	0	0	113.5	S4 Q8	S4-A6 PolarHBondContact O-N 3.42Å; A6-Q8 PolarHBondContact O-N 3.12Å
7	R	97.5	Very high	93	Very high	80 Å²	80	85.5 Å²	85.5	30%	0.302	47%	0.466	S	S	.	.			trans	-75.2	115.7	-172.9	-167.2	178.2	-165.5	123.8	-4.1	110.6	S4 F10 E15 R74	S4-R7 PolarHBondContact O-N 2.9Å; R7-F10 HydrophobicContact CG-CB 4.11Å; R7-F10 VanDerWaalsContact CZ-O 3.28Å; R7-F10 PolarHBondContact NE-O 3.01Å; R7-F10 PolarHBondContact NH2-O 3.36Å; R7-E15 IonicContact CZ-OE2 3.17Å; R7-E15 VanDerWaalsContact NH1-CD 3.32Å; R7-E15 IonicContact NH1-OE1 2.83Å; R7-E15 PolarHBondContact NH1-OE1 2.91Å; R7-E15 IonicContact NH1-OE2 3.81Å; R7-E15 PolarHBondContact NH1-OE2 2.97Å; R7-E15 IonicContact NH2-OE2 3.48Å; R7-E15 PolarHBondContact NH2-OE2 3.45Å; R7-R74 WeakPolarHBondContact CA-O 3.35Å
8	Q	95.5	Very high	93.4	Very high	154 Å²	154	80.7 Å²	80.7	72%	0.72	44%	0.44	S	S	*	.			trans	-140.9	129.3	175.1	-177.1	178.6	-2.8	0	0	109.4	A6 F10 R74	A6-Q8 PolarHBondContact O-N 3.12Å; Q8-F10 PolarHBondContact O-N 3.39Å; Q8-R74 PolarHBondContact O-NH2 3.34Å
9	S	94.3	Very high	93.6	Very high	101 Å²	101	77 Å²	77	71%	0.706	42%	0.42	S	S	*	.	S	Bend	trans	46.2	39.4	178.7	-54.5	0	0	0	0	113.6	R74	S9-R74 PolarHBondContact O-NH2 2.94Å; S9-R74 VanDerWaalsContact O-NH2 3.07Å
10	F	97.7	Very high	93.9	Very high	10 Å²	10	78.9 Å²	78.9	4%	0.044	42%	0.424	C	S	.	.			trans	-119.9	97.1	-177.4	-171.5	-125.5	0	0	0	109.3	R7 Q8 C14 E15 I18 R74	R7-F10 HydrophobicContact CG-CB 4.11Å; R7-F10 VanDerWaalsContact CZ-O 3.28Å; R7-F10 PolarHBondContact NE-O 3.01Å; R7-F10 PolarHBondContact NH2-O 3.36Å; Q8-F10 PolarHBondContact O-N 3.39Å; F10-C14 HydrophobicContact CD2-CB 4.17Å; F10-C14 HydrophobicContact CE2-CB 3.79Å; F10-C14 HydrophobicContact CZ-CB 4.46Å; F10-E15 HydrophobicContact CD1-CB 4.43Å; F10-E15 HydrophobicContact CE1-CB 3.65Å; F10-E15 HydrophobicContact CE1-CG 4.19Å; F10-E15 HydrophobicContact CZ-CB 3.96Å; F10-I18 HydrophobicContact CE2-CD1 4.03Å; F10-I18 HydrophobicContact CZ-CD1 3.82Å; F10-R74 HydrophobicContact CB-CB 4.47Å; F10-R74 HydrophobicContact CD1-CB 3.81Å; F10-R74 HydrophobicContact CD2-CB 3.96Å; F10-R74 HydrophobicContact CD2-CG 4.31Å; F10-R74 HydrophobicContact CE1-CB 3.96Å; F10-R74 HydrophobicContact CE2-CB 4.11Å; F10-R74 HydrophobicContact CE2-CG 4.37Å; F10-R74 HydrophobicContact CG-CB 3.82Å; F10-R74 HydrophobicContact CZ-CB 4.11Å
11	A	98	Very high	94.1	Very high	30 Å²	30	75.2 Å²	75.2	25%	0.248	40%	0.404	C	S	.	.			trans	-66	149.3	-174.7	0	0	0	0	0	111.5	E13 C14 E15 N122	A11-E13 PolarHBondContact O-N 3.37Å; A11-C14 HydrophobicContact CB-CB 4.5Å; A11-C14 WeakPolarHBondContact O-CB 3.15Å; A11-C14 PolarHBondContact O-N 3.41Å; A11-E15 PolarHBondContact O-N 3.45Å; A11-N122 HydrophobicContact CB-CB 4.03Å; A11-N122 VanDerWaalsContact CB-OD1 3.28Å; A11-N122 WeakPolarHBondContact CB-OD1 3.48Å
12	T	97.9	Very high	96.1	Very high	90 Å²	90	64.1 Å²	64.1	55%	0.552	35%	0.35	S	S	*	.	H	α-helix	trans	-62	-31.7	175.2	-51.1	0	0	0	0	111.7	E15 N16	T12-E15 PolarHBondContact O-N 3.36Å; T12-N16 WeakPolarHBondContact O-CB 3.37Å; T12-N16 VanDerWaalsContact O-CG 3.22Å; T12-N16 PolarHBondContact O-N 2.84Å; T12-N16 PolarHBondContact O-ND2 3.2Å
13	E	98.4	Very high	97.3	Very high	78 Å²	78	60.6 Å²	60.6	36%	0.364	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-45.4	174.7	-163.3	178.9	-164.2	0	0	111.1	A11 N16 A17 V118 K121 N122	A11-E13 PolarHBondContact O-N 3.37Å; E13-N16 PolarHBondContact O-N 3.49Å; E13-A17 WeakPolarHBondContact O-CB 3.32Å; E13-A17 PolarHBondContact O-N 3.23Å; E13-V118 HydrophobicContact CB-CG1 4.32Å; E13-V118 HydrophobicContact CG-CG1 3.83Å; E13-K121 IonicContact OE1-NZ 3.77Å; E13-K121 PolarHBondContact OE1-NZ 3.26Å; E13-K121 IonicContact OE2-NZ 3.62Å; E13-K121 PolarHBondContact OE2-NZ 3.04Å; E13-N122 PolarHBondContact OE2-ND2 3.3Å
14	C	98.6	Very high	97.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-45.7	174.6	-61	0	0	0	0	112.3	F10 A11 N16 A17 I18 L127	F10-C14 HydrophobicContact CD2-CB 4.17Å; F10-C14 HydrophobicContact CE2-CB 3.79Å; F10-C14 HydrophobicContact CZ-CB 4.46Å; A11-C14 HydrophobicContact CB-CB 4.5Å; A11-C14 WeakPolarHBondContact O-CB 3.15Å; A11-C14 PolarHBondContact O-N 3.41Å; C14-N16 VanDerWaalsContact C-N 3.33Å; C14-N16 PolarHBondContact O-N 3.2Å; C14-A17 PolarHBondContact O-N 2.97Å; C14-I18 WeakPolarHBondContact O-CG1 3.46Å; C14-I18 PolarHBondContact O-N 3.32Å; C14-L127 HydrophobicContact CB-CD2 3.69Å
15	E	98.7	Very high	98	Very high	15 Å²	15	56 Å²	56	7%	0.07	29%	0.288	C	S	.	.	H	α-helix	trans	-56.8	-46.5	176.2	176	173.7	-151.9	0	0	111.8	R7 F10 A11 T12 I18 N19 Q71 G76 R77	R7-E15 IonicContact CZ-OE2 3.17Å; R7-E15 VanDerWaalsContact NH1-CD 3.32Å; R7-E15 IonicContact NH1-OE1 2.83Å; R7-E15 PolarHBondContact NH1-OE1 2.91Å; R7-E15 IonicContact NH1-OE2 3.81Å; R7-E15 PolarHBondContact NH1-OE2 2.97Å; R7-E15 IonicContact NH2-OE2 3.48Å; R7-E15 PolarHBondContact NH2-OE2 3.45Å; F10-E15 HydrophobicContact CD1-CB 4.43Å; F10-E15 HydrophobicContact CE1-CB 3.65Å; F10-E15 HydrophobicContact CE1-CG 4.19Å; F10-E15 HydrophobicContact CZ-CB 3.96Å; A11-E15 PolarHBondContact O-N 3.45Å; T12-E15 PolarHBondContact O-N 3.36Å; E15-I18 PolarHBondContact O-N 3.33Å; E15-N19 PolarHBondContact O-N 3.15Å; E15-N19 VanDerWaalsContact O-N 3.1Å; E15-N19 PolarHBondContact O-ND2 2.9Å; E15-Q71 PolarHBondContact O-NE2 2.96Å; E15-G76 VanDerWaalsContact OE1-C 3.31Å; E15-G76 WeakPolarHBondContact OE1-CA 3.5Å; E15-R77 PolarHBondContact OE1-N 2.85Å
16	N	98.6	Very high	98.1	Very high	83 Å²	83	45.6 Å²	45.6	44%	0.444	25%	0.251	S	S	.	.	H	α-helix	trans	-67	-38.5	178.4	-69.5	-18.3	0	0	0	112.1	T12 E13 C14 N19 K20	T12-N16 WeakPolarHBondContact O-CB 3.37Å; T12-N16 VanDerWaalsContact O-CG 3.22Å; T12-N16 PolarHBondContact O-N 2.84Å; T12-N16 PolarHBondContact O-ND2 3.2Å; E13-N16 PolarHBondContact O-N 3.49Å; C14-N16 VanDerWaalsContact C-N 3.33Å; C14-N16 PolarHBondContact O-N 3.2Å; N16-N19 PolarHBondContact O-N 2.86Å; N16-K20 PolarHBondContact O-N 2.89Å
17	A	98.8	Very high	98.2	Very high	17 Å²	17	44.2 Å²	44.2	14%	0.14	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-39.4	177.6	0	0	0	0	0	111.7	E13 C14 K20 Q21 L115 V118	E13-A17 WeakPolarHBondContact O-CB 3.32Å; E13-A17 PolarHBondContact O-N 3.23Å; C14-A17 PolarHBondContact O-N 2.97Å; A17-K20 WeakPolarHBondContact O-CB 3.45Å; A17-K20 PolarHBondContact O-N 3.36Å; A17-Q21 PolarHBondContact O-N 3.07Å; A17-L115 HydrophobicContact CB-CD1 3.43Å; A17-L115 VanDerWaalsContact CB-CD1 3.43Å; A17-V118 HydrophobicContact CB-CB 4.39Å; A17-V118 HydrophobicContact CB-CG1 4.06Å; A17-V118 HydrophobicContact CB-CG2 4.46Å
18	I	98.9	Very high	98.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-41.6	172.2	-65.4	178.4	0	0	0	111	F10 C14 E15 K20 Q21 I22 L67 Y70 Q71 L115 L127	F10-I18 HydrophobicContact CE2-CD1 4.03Å; F10-I18 HydrophobicContact CZ-CD1 3.82Å; C14-I18 WeakPolarHBondContact O-CG1 3.46Å; C14-I18 PolarHBondContact O-N 3.32Å; E15-I18 PolarHBondContact O-N 3.33Å; I18-K20 VanDerWaalsContact C-N 3.3Å; I18-K20 PolarHBondContact O-N 2.78Å; I18-Q21 PolarHBondContact O-N 3.3Å; I18-Q21 VanDerWaalsContact O-N 3.16Å; I18-I22 HydrophobicContact CG2-CD1 3.96Å; I18-I22 HydrophobicContact CG2-CG1 4.31Å; I18-I22 VanDerWaalsContact O-CG1 3.31Å; I18-I22 WeakPolarHBondContact O-CG1 3.13Å; I18-I22 PolarHBondContact O-N 3.04Å; I18-L67 HydrophobicContact CG2-CB 4.29Å; I18-Y70 HydrophobicContact CD1-CD1 3.89Å; I18-Y70 HydrophobicContact CD1-CE1 4.22Å; I18-Q71 HydrophobicContact CG2-CB 4.09Å; I18-L115 HydrophobicContact CG1-CD1 4.06Å; I18-L115 HydrophobicContact CG1-CD2 4.43Å; I18-L127 HydrophobicContact CD1-CD1 3.72Å; I18-L127 HydrophobicContact CD1-CD2 4.34Å; I18-L127 HydrophobicContact CG1-CD1 4.2Å
19	N	98.8	Very high	98.4	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.053	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-37.9	176.1	-74.1	-28	0	0	0	112.4	E15 N16 N23 Q71 R77 V78 Q79	E15-N19 PolarHBondContact O-N 3.15Å; E15-N19 VanDerWaalsContact O-N 3.1Å; E15-N19 PolarHBondContact O-ND2 2.9Å; N16-N19 PolarHBondContact O-N 2.86Å; N19-N23 PolarHBondContact O-N 2.7Å; N19-Q71 VanDerWaalsContact CG-NE2 3.32Å; N19-Q71 PolarHBondContact OD1-NE2 3.29Å; N19-R77 PolarHBondContact ND2-O 2.94Å; N19-R77 PolarHBondContact OD1-O 3.21Å; N19-V78 WeakPolarHBondContact OD1-CA 3.41Å; N19-Q79 PolarHBondContact OD1-N 3.38Å; N19-Q79 VanDerWaalsContact OD1-N 3.16Å
20	K	98.7	Very high	98.6	Very high	115 Å²	115	33.3 Å²	33.3	50%	0.5	18%	0.175	S	C	.	.	H	α-helix	trans	-61.4	-48.2	171.7	-177.8	-168.8	170.9	-158.6	0	110.4	N16 A17 I18 I22 N23 V24 E114	N16-K20 PolarHBondContact O-N 2.89Å; A17-K20 WeakPolarHBondContact O-CB 3.45Å; A17-K20 PolarHBondContact O-N 3.36Å; I18-K20 VanDerWaalsContact C-N 3.3Å; I18-K20 PolarHBondContact O-N 2.78Å; K20-I22 PolarHBondContact O-N 3.03Å; K20-N23 PolarHBondContact O-N 2.68Å; K20-N23 VanDerWaalsContact O-N 3.12Å; K20-V24 PolarHBondContact O-N 2.76Å; K20-E114 IonicContact NZ-OE2 2.87Å; K20-E114 PolarHBondContact NZ-OE2 3.16Å; K20-E114 VanDerWaalsContact NZ-OE2 3.15Å
21	Q	98.9	Very high	98.6	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-40.2	-179	-167.4	64.4	25.8	0	0	112.2	A17 I18 N23 V24 E25 L67 S111 L112 L115	A17-Q21 PolarHBondContact O-N 3.07Å; I18-Q21 PolarHBondContact O-N 3.3Å; I18-Q21 VanDerWaalsContact O-N 3.16Å; Q21-N23 PolarHBondContact O-N 3.39Å; Q21-V24 WeakPolarHBondContact O-CA 3.39Å; Q21-V24 WeakPolarHBondContact O-CB 3.46Å; Q21-V24 PolarHBondContact O-N 3.41Å; Q21-E25 PolarHBondContact NE2-OE1 3.33Å; Q21-E25 WeakPolarHBondContact O-CG 3.36Å; Q21-E25 PolarHBondContact O-N 3.28Å; Q21-L67 HydrophobicContact CB-CD1 3.97Å; Q21-L67 HydrophobicContact CG-CD1 3.53Å; Q21-L67 HydrophobicContact CG-CD2 4.44Å; Q21-S111 VanDerWaalsContact OE1-CB 3.22Å; Q21-S111 PolarHBondContact OE1-OG 2.9Å; Q21-L112 HydrophobicContact CG-CD2 3.94Å; Q21-L115 HydrophobicContact CB-CD2 3.93Å; Q21-L115 HydrophobicContact CG-CD2 4.11Å
22	I	98.9	Very high	98.6	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-53.4	-42.3	173	-70.4	165.4	0	0	0	110.9	I18 K20 L26 L67 A68 V78 Y80	I18-I22 HydrophobicContact CG2-CD1 3.96Å; I18-I22 HydrophobicContact CG2-CG1 4.31Å; I18-I22 VanDerWaalsContact O-CG1 3.31Å; I18-I22 WeakPolarHBondContact O-CG1 3.13Å; I18-I22 PolarHBondContact O-N 3.04Å; K20-I22 PolarHBondContact O-N 3.03Å; I22-L26 HydrophobicContact CG2-CD1 3.93Å; I22-L26 HydrophobicContact CG2-CG 4.5Å; I22-L26 WeakPolarHBondContact O-CB 3.38Å; I22-L26 VanDerWaalsContact O-CG 3.22Å; I22-L26 WeakPolarHBondContact O-CG 3.38Å; I22-L26 PolarHBondContact O-N 3.04Å; I22-L67 HydrophobicContact CD1-CB 4.22Å; I22-L67 HydrophobicContact CG1-CB 3.51Å; I22-L67 HydrophobicContact CG1-CD1 4.24Å; I22-A68 HydrophobicContact CD1-CB 4.03Å; I22-V78 HydrophobicContact CD1-CG1 4.13Å; I22-V78 HydrophobicContact CD1-CG2 4.43Å; I22-Y80 HydrophobicContact CG2-CD1 4.28Å; I22-Y80 HydrophobicContact CG2-CE1 4.01Å
23	N	98.7	Very high	98.7	Very high	36 Å²	36	32.8 Å²	32.8	19%	0.193	16%	0.163	C	C	.	.	H	α-helix	trans	-71.1	-32.6	178	-174.5	-100.6	0	0	0	112.7	N19 K20 Q21 Q27 S81 D82	N19-N23 PolarHBondContact O-N 2.7Å; K20-N23 PolarHBondContact O-N 2.68Å; K20-N23 VanDerWaalsContact O-N 3.12Å; Q21-N23 PolarHBondContact O-N 3.39Å; N23-Q27 WeakPolarHBondContact O-CB 3.36Å; N23-Q27 PolarHBondContact O-N 2.94Å; N23-S81 PolarHBondContact ND2-O 3.14Å; N23-S81 VanDerWaalsContact ND2-O 3.13Å; N23-D82 PolarHBondContact ND2-O 3.02Å; N23-D82 VanDerWaalsContact ND2-O 3.09Å
24	V	98.7	Very high	98.7	Very high	36 Å²	36	29.6 Å²	29.6	22%	0.218	15%	0.15	C	C	.	.	H	α-helix	trans	-61.7	-49.5	172.8	171.4	0	0	0	0	110.6	K20 Q21 L26 Q27 A28 V108	K20-V24 PolarHBondContact O-N 2.76Å; Q21-V24 WeakPolarHBondContact O-CA 3.39Å; Q21-V24 WeakPolarHBondContact O-CB 3.46Å; Q21-V24 PolarHBondContact O-N 3.41Å; V24-L26 VanDerWaalsContact C-N 3.35Å; V24-L26 PolarHBondContact O-N 3.36Å; V24-Q27 WeakPolarHBondContact O-CB 3.36Å; V24-Q27 PolarHBondContact O-N 3.42Å; V24-Q27 VanDerWaalsContact O-N 3.13Å; V24-A28 PolarHBondContact O-N 2.82Å; V24-V108 HydrophobicContact CG1-CG2 4.01Å
25	E	98.8	Very high	98.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.6	-39.1	179.4	-49.8	-48.3	177	0	0	111.8	Q21 Q27 A28 A29 E60 H63 A64 L67 V108	Q21-E25 PolarHBondContact NE2-OE1 3.33Å; Q21-E25 WeakPolarHBondContact O-CG 3.36Å; Q21-E25 PolarHBondContact O-N 3.28Å; E25-Q27 VanDerWaalsContact C-N 3.29Å; E25-Q27 PolarHBondContact O-N 2.99Å; E25-A28 PolarHBondContact O-N 3.24Å; E25-A29 WeakPolarHBondContact O-CB 3.49Å; E25-A29 PolarHBondContact O-N 2.76Å; E25-E60 WeakPolarHBondContact CB-O 3.33Å; E25-H63 HydrophobicContact CB-CB 4.24Å; E25-H63 HydrophobicContact CG-CB 3.91Å; E25-A64 HydrophobicContact CB-CB 3.86Å; E25-L67 HydrophobicContact CG-CD1 3.63Å; E25-V108 VanDerWaalsContact OE2-CG1 3.27Å; E25-V108 WeakPolarHBondContact OE2-CG1 3.46Å
26	L	98.8	Very high	98.6	Very high	37 Å²	37	31.2 Å²	31.2	19%	0.194	16%	0.157	C	C	.	.	H	α-helix	trans	-64.8	-33.3	174.6	-72.1	172.6	0	0	0	112.6	I22 V24 Y30 A64 Y80 I83	I22-L26 HydrophobicContact CG2-CD1 3.93Å; I22-L26 HydrophobicContact CG2-CG 4.5Å; I22-L26 WeakPolarHBondContact O-CB 3.38Å; I22-L26 VanDerWaalsContact O-CG 3.22Å; I22-L26 WeakPolarHBondContact O-CG 3.38Å; I22-L26 PolarHBondContact O-N 3.04Å; V24-L26 VanDerWaalsContact C-N 3.35Å; V24-L26 PolarHBondContact O-N 3.36Å; L26-Y30 PolarHBondContact O-N 3.3Å; L26-Y30 VanDerWaalsContact O-N 3.12Å; L26-A64 HydrophobicContact CD2-CB 3.75Å; L26-A64 HydrophobicContact CG-CB 3.73Å; L26-Y80 HydrophobicContact CD1-CD1 4.09Å; L26-Y80 HydrophobicContact CD1-CE1 4.22Å; L26-I83 HydrophobicContact CB-CD1 3.79Å; L26-I83 HydrophobicContact CB-CG1 4.23Å; L26-I83 HydrophobicContact CD1-CD1 4.4Å
27	Q	98.6	Very high	98.6	Very high	33 Å²	33	30.8 Å²	30.8	15%	0.154	16%	0.158	C	C	.	.	H	α-helix	trans	-68.2	-45.9	173	-175.8	66	61.6	0	0	110.9	N23 V24 E25 A29 Y30 D31 I83 K84	N23-Q27 WeakPolarHBondContact O-CB 3.36Å; N23-Q27 PolarHBondContact O-N 2.94Å; V24-Q27 WeakPolarHBondContact O-CB 3.36Å; V24-Q27 PolarHBondContact O-N 3.42Å; V24-Q27 VanDerWaalsContact O-N 3.13Å; E25-Q27 VanDerWaalsContact C-N 3.29Å; E25-Q27 PolarHBondContact O-N 2.99Å; Q27-A29 VanDerWaalsContact C-N 3.34Å; Q27-A29 PolarHBondContact O-N 3.24Å; Q27-Y30 PolarHBondContact O-N 2.99Å; Q27-Y30 VanDerWaalsContact O-N 3.11Å; Q27-D31 PolarHBondContact NE2-OD1 3.46Å; Q27-D31 WeakPolarHBondContact O-CB 3.05Å; Q27-D31 VanDerWaalsContact O-CG 3.27Å; Q27-D31 PolarHBondContact O-N 3.34Å; Q27-I83 HydrophobicContact CB-CG2 4.33Å; Q27-K84 PolarHBondContact NE2-O 3.29Å; Q27-K84 PolarHBondContact OE1-O 3.46Å
28	A	98.6	Very high	98.6	Very high	5 Å²	5	31.4 Å²	31.4	4%	0.041	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-44.7	176.4	0	0	0	0	0	111.4	V24 E25 Y30 D31 Y32 E60 V108	V24-A28 PolarHBondContact O-N 2.82Å; E25-A28 PolarHBondContact O-N 3.24Å; A28-Y30 VanDerWaalsContact C-N 3.29Å; A28-Y30 PolarHBondContact O-N 3.15Å; A28-D31 PolarHBondContact O-N 3.37Å; A28-Y32 WeakPolarHBondContact O-CD2 3.44Å; A28-Y32 PolarHBondContact O-N 3.31Å; A28-E60 HydrophobicContact CB-CB 4.27Å; A28-E60 HydrophobicContact CB-CG 3.95Å; A28-V108 HydrophobicContact CB-CG2 4.3Å
29	A	98.7	Very high	98.6	Very high	9 Å²	9	31.5 Å²	31.5	7%	0.074	16%	0.157	C	C	.	.	H	α-helix	trans	-56.4	-42.9	173.6	0	0	0	0	0	112.1	E25 Q27 M33 S57 E60 R61	E25-A29 WeakPolarHBondContact O-CB 3.49Å; E25-A29 PolarHBondContact O-N 2.76Å; Q27-A29 VanDerWaalsContact C-N 3.34Å; Q27-A29 PolarHBondContact O-N 3.24Å; A29-M33 PolarHBondContact O-N 3.41Å; A29-M33 VanDerWaalsContact O-N 3.08Å; A29-S57 WeakPolarHBondContact CB-O 3.49Å; A29-S57 WeakPolarHBondContact O-CB 3.45Å; A29-S57 PolarHBondContact O-OG 2.87Å; A29-E60 HydrophobicContact CB-CB 3.84Å; A29-R61 HydrophobicContact CB-CB 4.15Å
30	Y	98.5	Very high	98.6	Very high	92 Å²	92	36 Å²	36	36%	0.361	18%	0.181	S	C	.	.	H	α-helix	trans	-70.8	-39.9	179.3	-167.6	-163.5	0	0	0	112.4	L26 Q27 A28 M33 A34 I83 K84 P86	L26-Y30 PolarHBondContact O-N 3.3Å; L26-Y30 VanDerWaalsContact O-N 3.12Å; Q27-Y30 PolarHBondContact O-N 2.99Å; Q27-Y30 VanDerWaalsContact O-N 3.11Å; A28-Y30 VanDerWaalsContact C-N 3.29Å; A28-Y30 PolarHBondContact O-N 3.15Å; Y30-M33 HydrophobicContact CD2-CE 3.68Å; Y30-M33 HydrophobicContact CE2-CE 3.51Å; Y30-M33 WeakPolarHBondContact O-CB 3.45Å; Y30-M33 PolarHBondContact O-N 2.97Å; Y30-A34 PolarHBondContact O-N 2.86Å; Y30-I83 HydrophobicContact CD1-CB 4.4Å; Y30-I83 HydrophobicContact CD1-CG2 3.62Å; Y30-I83 HydrophobicContact CG-CG2 4.26Å; Y30-K84 WeakPolarHBondContact CD1-O 3.06Å; Y30-P86 HydrophobicContact CD1-CG 4.13Å; Y30-P86 HydrophobicContact CD2-CG 4.11Å; Y30-P86 HydrophobicContact CE1-CG 4.34Å; Y30-P86 HydrophobicContact CE2-CG 4.3Å; Y30-P86 HydrophobicContact CG-CG 4.05Å
31	D	98.6	Very high	98.6	Very high	30 Å²	30	34.4 Å²	34.4	16%	0.16	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-46.8	176	-69	-21.8	0	0	0	110.3	Q27 A28 M33 A34 F35 P86 M104	Q27-D31 PolarHBondContact NE2-OD1 3.46Å; Q27-D31 WeakPolarHBondContact O-CB 3.05Å; Q27-D31 VanDerWaalsContact O-CG 3.27Å; Q27-D31 PolarHBondContact O-N 3.34Å; A28-D31 PolarHBondContact O-N 3.37Å; D31-M33 VanDerWaalsContact C-N 3.28Å; D31-M33 PolarHBondContact O-N 2.9Å; D31-A34 WeakPolarHBondContact O-CA 3.41Å; D31-A34 VanDerWaalsContact O-CB 3.27Å; D31-A34 WeakPolarHBondContact O-CB 3.47Å; D31-A34 PolarHBondContact O-N 3.41Å; D31-F35 WeakPolarHBondContact O-CD1 3.45Å; D31-F35 PolarHBondContact O-N 3.06Å; D31-P86 VanDerWaalsContact OD1-CA 3.3Å; D31-P86 WeakPolarHBondContact OD1-CA 3.38Å; D31-P86 VanDerWaalsContact OD1-CB 3.3Å; D31-P86 WeakPolarHBondContact OD1-CB 3.4Å; D31-P86 WeakPolarHBondContact OD1-CG 3.41Å; D31-M104 HydrophobicContact CB-CE 3.45Å; D31-M104 VanDerWaalsContact CB-CE 3.45Å; D31-M104 HydrophobicContact CB-SD 4.29Å
32	Y	98.6	Very high	98.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.7	-28.9	175.6	-79.2	-49.7	0	0	0	113.9	A28 A34 F35 F36 F53 A56 E60 A101 M104 E105 F146	A28-Y32 WeakPolarHBondContact O-CD2 3.44Å; A28-Y32 PolarHBondContact O-N 3.31Å; Y32-A34 VanDerWaalsContact C-N 3.27Å; Y32-A34 PolarHBondContact O-N 2.99Å; Y32-F35 HydrophobicContact CD1-CD2 4.18Å; Y32-F35 HydrophobicContact CD1-CE2 4.48Å; Y32-F35 HydrophobicContact CD1-CG 4.25Å; Y32-F35 HydrophobicContact CE1-CD2 4.37Å; Y32-F35 HydrophobicContact CE1-CE2 4.33Å; Y32-F35 WeakPolarHBondContact O-CB 3.37Å; Y32-F35 PolarHBondContact O-N 2.98Å; Y32-F36 PolarHBondContact O-N 2.87Å; Y32-F53 AromaticContact CD1-CD1 3.61Å; Y32-F53 HydrophobicContact CD1-CD1 3.61Å; Y32-F53 HydrophobicContact CD1-CE1 4.24Å; Y32-F53 AromaticContact CE1-CD1 3.77Å; Y32-F53 HydrophobicContact CE1-CD1 3.77Å; Y32-F53 AromaticContact CE1-CE1 3.97Å; Y32-F53 HydrophobicContact CE1-CE1 3.97Å; Y32-A56 HydrophobicContact CD1-CB 4.28Å; Y32-A56 HydrophobicContact CD2-CB 3.93Å; Y32-A56 HydrophobicContact CE2-CB 4.16Å; Y32-A56 HydrophobicContact CG-CB 4Å; Y32-E60 HydrophobicContact CD2-CG 3.94Å; Y32-E60 HydrophobicContact CE2-CG 4.12Å; Y32-A101 HydrophobicContact CE1-CB 3.87Å; Y32-M104 HydrophobicContact CD1-CE 4.33Å; Y32-M104 HydrophobicContact CD2-CE 4.22Å; Y32-M104 HydrophobicContact CE1-CE 4.15Å; Y32-M104 HydrophobicContact CE2-CE 4.06Å; Y32-M104 HydrophobicContact CG-CE 4.35Å; Y32-E105 WeakPolarHBondContact CE2-OE1 3.45Å; Y32-E105 PolarHBondContact OH-OE1 2.93Å; Y32-F146 HydrophobicContact CE1-CZ 4.36Å
33	M	98.5	Very high	98.5	Very high	89 Å²	89	46.5 Å²	46.5	44%	0.438	24%	0.236	S	C	.	.	H	α-helix	trans	-62	-38.3	170.3	-168.2	176.7	73	0	0	111.1	A29 Y30 D31 F35 F36 T37	A29-M33 PolarHBondContact O-N 3.41Å; A29-M33 VanDerWaalsContact O-N 3.08Å; Y30-M33 HydrophobicContact CD2-CE 3.68Å; Y30-M33 HydrophobicContact CE2-CE 3.51Å; Y30-M33 WeakPolarHBondContact O-CB 3.45Å; Y30-M33 PolarHBondContact O-N 2.97Å; D31-M33 VanDerWaalsContact C-N 3.28Å; D31-M33 PolarHBondContact O-N 2.9Å; M33-F35 VanDerWaalsContact C-N 3.35Å; M33-F36 PolarHBondContact O-N 2.8Å; M33-T37 WeakPolarHBondContact O-CG2 3.31Å; M33-T37 PolarHBondContact O-N 3.16Å; M33-T37 PolarHBondContact O-OG1 3.41Å
34	A	98.5	Very high	98.4	Very high	11 Å²	11	46 Å²	46	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-64.8	-38.7	174.6	0	0	0	0	0	111.9	Y30 D31 Y32 T37 Y38 P86 T89	Y30-A34 PolarHBondContact O-N 2.86Å; D31-A34 WeakPolarHBondContact O-CA 3.41Å; D31-A34 VanDerWaalsContact O-CB 3.27Å; D31-A34 WeakPolarHBondContact O-CB 3.47Å; D31-A34 PolarHBondContact O-N 3.41Å; Y32-A34 VanDerWaalsContact C-N 3.27Å; Y32-A34 PolarHBondContact O-N 2.99Å; A34-T37 PolarHBondContact O-N 2.95Å; A34-T37 PolarHBondContact O-OG1 3.34Å; A34-T37 VanDerWaalsContact O-OG1 3.08Å; A34-Y38 WeakPolarHBondContact O-CB 3.31Å; A34-Y38 PolarHBondContact O-N 3.46Å; A34-P86 HydrophobicContact CB-CB 3.88Å; A34-P86 HydrophobicContact CB-CG 4Å; A34-T89 HydrophobicContact CB-CG2 4.23Å
35	F	98.6	Very high	98.3	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.018	25%	0.25	C	C	.	.	H	α-helix	trans	-62.6	-50	176.4	-73.2	45.2	0	0	0	110.5	D31 Y32 M33 T37 Y38 F39 F53 F91 A97 T100 A101 M104	D31-F35 WeakPolarHBondContact O-CD1 3.45Å; D31-F35 PolarHBondContact O-N 3.06Å; Y32-F35 HydrophobicContact CD1-CD2 4.18Å; Y32-F35 HydrophobicContact CD1-CE2 4.48Å; Y32-F35 HydrophobicContact CD1-CG 4.25Å; Y32-F35 HydrophobicContact CE1-CD2 4.37Å; Y32-F35 HydrophobicContact CE1-CE2 4.33Å; Y32-F35 WeakPolarHBondContact O-CB 3.37Å; Y32-F35 PolarHBondContact O-N 2.98Å; M33-F35 VanDerWaalsContact C-N 3.35Å; F35-T37 PolarHBondContact O-N 3.21Å; F35-Y38 WeakPolarHBondContact O-CB 3.45Å; F35-Y38 PolarHBondContact O-N 3.23Å; F35-F39 WeakPolarHBondContact O-CD2 3.28Å; F35-F39 PolarHBondContact O-N 3.1Å; F35-F39 VanDerWaalsContact O-N 3.09Å; F35-F53 HydrophobicContact CB-CB 3.85Å; F35-F53 HydrophobicContact CB-CD1 4.1Å; F35-F53 HydrophobicContact CB-CD2 3.99Å; F35-F53 HydrophobicContact CB-CG 3.71Å; F35-F53 AromaticContact CD2-CD1 3.85Å; F35-F53 HydrophobicContact CD2-CD1 3.85Å; F35-F53 HydrophobicContact CD2-CD2 4.39Å; F35-F53 AromaticContact CD2-CE1 3.7Å; F35-F53 HydrophobicContact CD2-CE1 3.7Å; F35-F53 HydrophobicContact CD2-CE2 4.27Å; F35-F53 HydrophobicContact CD2-CG 4.21Å; F35-F53 AromaticContact CD2-CZ 3.93Å; F35-F53 HydrophobicContact CD2-CZ 3.93Å; F35-F53 HydrophobicContact CE2-CE1 4.31Å; F35-F53 HydrophobicContact CG-CD1 4.39Å; F35-F53 HydrophobicContact CG-CG 4.45Å; F35-F91 HydrophobicContact CB-CE2 4.46Å; F35-F91 HydrophobicContact CD1-CE1 4.4Å; F35-F91 AromaticContact CD1-CE2 3.95Å; F35-F91 HydrophobicContact CD1-CE2 3.95Å; F35-F91 AromaticContact CD1-CZ 3.4Å; F35-F91 HydrophobicContact CD1-CZ 3.4Å; F35-F91 VanDerWaalsContact CD1-CZ 3.4Å; F35-F91 HydrophobicContact CD2-CE1 4.16Å; F35-F91 HydrophobicContact CD2-CE2 4.36Å; F35-F91 AromaticContact CD2-CZ 3.76Å; F35-F91 HydrophobicContact CD2-CZ 3.76Å; F35-F91 HydrophobicContact CE1-CE1 4.11Å; F35-F91 HydrophobicContact CE1-CE2 4.38Å; F35-F91 AromaticContact CE1-CZ 3.42Å; F35-F91 HydrophobicContact CE1-CZ 3.42Å; F35-F91 VanDerWaalsContact CE1-CZ 3.42Å; F35-F91 AromaticContact CE2-CE1 3.8Å; F35-F91 HydrophobicContact CE2-CE1 3.8Å; F35-F91 AromaticContact CE2-CZ 3.73Å; F35-F91 HydrophobicContact CE2-CZ 3.73Å; F35-F91 HydrophobicContact CG-CE1 4.46Å; F35-F91 AromaticContact CG-CE2 3.97Å; F35-F91 HydrophobicContact CG-CE2 3.97Å; F35-F91 AromaticContact CG-CZ 3.62Å; F35-F91 HydrophobicContact CG-CZ 3.62Å; F35-F91 AromaticContact CZ-CE1 3.79Å; F35-F91 HydrophobicContact CZ-CE1 3.79Å; F35-F91 AromaticContact CZ-CZ 3.57Å; F35-F91 HydrophobicContact CZ-CZ 3.57Å; F35-A97 HydrophobicContact CD2-CB 4.38Å; F35-A97 HydrophobicContact CE2-CB 4.48Å; F35-T100 HydrophobicContact CE1-CG2 4.48Å; F35-T100 HydrophobicContact CE2-CG2 4.38Å; F35-T100 HydrophobicContact CZ-CG2 3.61Å; F35-A101 HydrophobicContact CE2-CB 4.14Å; F35-M104 HydrophobicContact CE1-SD 3.89Å; F35-M104 HydrophobicContact CE2-SD 4.43Å; F35-M104 HydrophobicContact CZ-SD 3.5Å; F35-M104 VanDerWaalsContact CZ-SD 3.5Å
36	F	97.7	Very high	98.3	Very high	45 Å²	45	49.5 Å²	49.5	20%	0.197	26%	0.256	C	S	.	.	H	α-helix	trans	-51.8	-55.8	175.4	154.8	-122.6	0	0	0	111.3	Y32 M33 Y38 F39 D40 A50 F53 R54	Y32-F36 PolarHBondContact O-N 2.87Å; M33-F36 PolarHBondContact O-N 2.8Å; F36-Y38 PolarHBondContact O-N 3.41Å; F36-F39 PolarHBondContact O-N 3.22Å; F36-F39 VanDerWaalsContact O-N 3.16Å; F36-D40 HydrophobicContact CE2-CB 4.09Å; F36-D40 PolarHBondContact O-N 3.37Å; F36-D40 VanDerWaalsContact O-N 3.1Å; F36-A50 HydrophobicContact CD2-CB 3.9Å; F36-A50 WeakPolarHBondContact CD2-O 3.35Å; F36-A50 HydrophobicContact CE2-CB 4.26Å; F36-F53 HydrophobicContact CB-CB 4.26Å; F36-R54 HydrophobicContact CB-CB 4.15Å; F36-R54 HydrophobicContact CD1-CB 4.32Å; F36-R54 HydrophobicContact CD1-CG 4.36Å; F36-R54 HydrophobicContact CD2-CB 3.86Å; F36-R54 HydrophobicContact CD2-CG 4.49Å; F36-R54 HydrophobicContact CE2-CB 4.39Å; F36-R54 HydrophobicContact CG-CB 3.82Å; F36-R54 HydrophobicContact CG-CG 4.34Å
37	T	98.2	Very high	98.2	Very high	75 Å²	75	50.6 Å²	50.6	46%	0.46	27%	0.266	S	S	.	.	H	α-helix	trans	-65.7	-25.8	-176.1	57.5	0	0	0	0	113.3	M33 A34 F35	M33-T37 WeakPolarHBondContact O-CG2 3.31Å; M33-T37 PolarHBondContact O-N 3.16Å; M33-T37 PolarHBondContact O-OG1 3.41Å; A34-T37 PolarHBondContact O-N 2.95Å; A34-T37 PolarHBondContact O-OG1 3.34Å; A34-T37 VanDerWaalsContact O-OG1 3.08Å; F35-T37 PolarHBondContact O-N 3.21Å
38	Y	98.7	Very high	98.2	Very high	29 Å²	29	53 Å²	53	11%	0.114	28%	0.276	C	S	.	.	H	α-helix	trans	-67.8	-50	171.9	174	-98	0	0	0	111.7	A34 F35 F36 D40 R41 V44 T89 E90 F91	A34-Y38 WeakPolarHBondContact O-CB 3.31Å; A34-Y38 PolarHBondContact O-N 3.46Å; F35-Y38 WeakPolarHBondContact O-CB 3.45Å; F35-Y38 PolarHBondContact O-N 3.23Å; F36-Y38 PolarHBondContact O-N 3.41Å; Y38-D40 VanDerWaalsContact C-N 3.25Å; Y38-D40 PolarHBondContact O-N 2.96Å; Y38-R41 WeakPolarHBondContact O-CB 3.33Å; Y38-R41 WeakPolarHBondContact O-CD 3.25Å; Y38-R41 WeakPolarHBondContact O-CG 3.34Å; Y38-R41 PolarHBondContact O-N 2.92Å; Y38-V44 HydrophobicContact CD1-CG1 4.24Å; Y38-V44 HydrophobicContact CD2-CG2 4.39Å; Y38-V44 HydrophobicContact CE1-CB 4.48Å; Y38-V44 HydrophobicContact CE1-CG1 3.74Å; Y38-V44 HydrophobicContact CE1-CG2 3.94Å; Y38-V44 HydrophobicContact CE2-CG2 3.75Å; Y38-T89 WeakPolarHBondContact CD2-O 3.45Å; Y38-E90 VanDerWaalsContact CE2-OE2 3.23Å; Y38-E90 WeakPolarHBondContact CE2-OE2 3.28Å; Y38-F91 HydrophobicContact CD1-CB 4.13Å; Y38-F91 AromaticContact CD1-CD2 3.45Å; Y38-F91 HydrophobicContact CD1-CD2 3.45Å; Y38-F91 VanDerWaalsContact CD1-CD2 3.45Å; Y38-F91 HydrophobicContact CD1-CE2 4.35Å; Y38-F91 HydrophobicContact CD1-CG 4.24Å; Y38-F91 HydrophobicContact CD2-CD2 4.44Å; Y38-F91 HydrophobicContact CE1-CB 3.63Å; Y38-F91 AromaticContact CE1-CD2 3.86Å; Y38-F91 HydrophobicContact CE1-CD2 3.86Å; Y38-F91 HydrophobicContact CE1-CG 4.24Å; Y38-F91 AromaticContact CG-CD2 3.76Å; Y38-F91 HydrophobicContact CG-CD2 3.76Å; Y38-F91 HydrophobicContact CG-CE2 4.38Å; Y38-F91 PolarHBondContact OH-O 2.68Å
39	F	98.3	Very high	98.2	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-71.2	-19.6	-176.4	-75.1	-63.7	0	0	0	114.1	F35 F36 R41 V44 F46 A49 A50 F53 F91 L94 A97	F35-F39 WeakPolarHBondContact O-CD2 3.28Å; F35-F39 PolarHBondContact O-N 3.1Å; F35-F39 VanDerWaalsContact O-N 3.09Å; F36-F39 PolarHBondContact O-N 3.22Å; F36-F39 VanDerWaalsContact O-N 3.16Å; F39-R41 VanDerWaalsContact C-N 3.34Å; F39-V44 HydrophobicContact CD1-CG1 3.73Å; F39-V44 HydrophobicContact CE1-CG1 4.28Å; F39-F46 HydrophobicContact CB-CB 4.48Å; F39-F46 HydrophobicContact CD1-CB 3.88Å; F39-F46 AromaticContact CD1-CD2 3.85Å; F39-F46 HydrophobicContact CD1-CD2 3.85Å; F39-F46 HydrophobicContact CD1-CG 4.34Å; F39-F46 HydrophobicContact CE1-CD2 4.02Å; F39-F46 PolarHBondContact O-N 3.14Å; F39-F46 VanDerWaalsContact O-N 3.11Å; F39-A49 HydrophobicContact CB-CB 4.28Å; F39-A49 HydrophobicContact CD1-CB 4.18Å; F39-A49 HydrophobicContact CD2-CB 4.25Å; F39-A49 HydrophobicContact CG-CB 3.97Å; F39-A50 HydrophobicContact CB-CB 3.94Å; F39-F53 AromaticContact CD2-CD2 3.59Å; F39-F53 HydrophobicContact CD2-CD2 3.59Å; F39-F53 AromaticContact CD2-CE2 3.74Å; F39-F53 HydrophobicContact CD2-CE2 3.74Å; F39-F53 AromaticContact CE2-CD2 3.76Å; F39-F53 HydrophobicContact CE2-CD2 3.76Å; F39-F53 AromaticContact CE2-CE2 3.42Å; F39-F53 HydrophobicContact CE2-CE2 3.42Å; F39-F53 VanDerWaalsContact CE2-CE2 3.42Å; F39-F53 HydrophobicContact CE2-CZ 4.42Å; F39-F53 HydrophobicContact CZ-CE2 4.33Å; F39-F91 HydrophobicContact CE2-CD2 4.47Å; F39-F91 HydrophobicContact CZ-CB 4.42Å; F39-L94 HydrophobicContact CD1-CD2 4.16Å; F39-L94 HydrophobicContact CE1-CD2 3.49Å; F39-L94 VanDerWaalsContact CE1-CD2 3.49Å; F39-L94 HydrophobicContact CE1-CG 4.31Å; F39-L94 HydrophobicContact CZ-CD2 3.72Å; F39-A97 HydrophobicContact CE2-CB 3.59Å; F39-A97 HydrophobicContact CZ-CB 3.45Å; F39-A97 VanDerWaalsContact CZ-CB 3.45Å
40	D	98.3	Very high	98.1	Very high	104 Å²	104	52.4 Å²	52.4	56%	0.556	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-8.8	175.7	-161.8	50.5	0	0	0	113.9	F36 Y38 A50	F36-D40 HydrophobicContact CE2-CB 4.09Å; F36-D40 PolarHBondContact O-N 3.37Å; F36-D40 VanDerWaalsContact O-N 3.1Å; Y38-D40 VanDerWaalsContact C-N 3.25Å; Y38-D40 PolarHBondContact O-N 2.96Å; D40-A50 HydrophobicContact CB-CB 4.11Å
41	R	98.7	Very high	98.1	Very high	82 Å²	82	51.8 Å²	51.8	31%	0.309	27%	0.271	S	S	.	.	S	Bend	trans	-64.8	148.1	177.7	-69.9	163.8	54.1	170.9	-4.3	112	Y38 F39 D43 V44 S45 E90	Y38-R41 WeakPolarHBondContact O-CB 3.33Å; Y38-R41 WeakPolarHBondContact O-CD 3.25Å; Y38-R41 WeakPolarHBondContact O-CG 3.34Å; Y38-R41 PolarHBondContact O-N 2.92Å; F39-R41 VanDerWaalsContact C-N 3.34Å; R41-D43 VanDerWaalsContact C-N 3.27Å; R41-D43 WeakPolarHBondContact CB-OD1 3.38Å; R41-D43 IonicContact CZ-OD1 3.98Å; R41-D43 IonicContact CZ-OD2 3.44Å; R41-D43 IonicContact NE-OD1 2.83Å; R41-D43 PolarHBondContact NE-OD1 3.38Å; R41-D43 IonicContact NE-OD2 2.85Å; R41-D43 IonicContact NH2-OD1 3.16Å; R41-D43 PolarHBondContact NH2-OD1 3.24Å; R41-D43 IonicContact NH2-OD2 3.26Å; R41-D43 PolarHBondContact NH2-OD2 3.16Å; R41-D43 PolarHBondContact O-N 3.37Å; R41-V44 HydrophobicContact CB-CB 4.37Å; R41-V44 HydrophobicContact CB-CG2 4.22Å; R41-V44 PolarHBondContact O-N 3.13Å; R41-S45 WeakPolarHBondContact O-CA 3.37Å; R41-S45 PolarHBondContact O-N 2.78Å; R41-E90 IonicContact CZ-OE1 2.78Å; R41-E90 VanDerWaalsContact NH1-CD 3.34Å; R41-E90 IonicContact NH1-OE1 3.38Å; R41-E90 PolarHBondContact NH1-OE1 2.68Å; R41-E90 IonicContact NH1-OE2 3.54Å; R41-E90 PolarHBondContact NH1-OE2 2.91Å; R41-E90 VanDerWaalsContact NH1-OE2 3.16Å
42	D	98.2	Very high	98.1	Very high	156 Å²	156	51.9 Å²	51.9	83%	0.834	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.1	179.3	65.8	-74.6	0	0	0	113.5
43	D	97.8	Very high	98.1	Very high	101 Å²	101	51.9 Å²	51.9	54%	0.54	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-5.2	178.3	68.7	-28.8	0	0	0	114.2	R41	R41-D43 VanDerWaalsContact C-N 3.27Å; R41-D43 WeakPolarHBondContact CB-OD1 3.38Å; R41-D43 IonicContact CZ-OD1 3.98Å; R41-D43 IonicContact CZ-OD2 3.44Å; R41-D43 IonicContact NE-OD1 2.83Å; R41-D43 PolarHBondContact NE-OD1 3.38Å; R41-D43 IonicContact NE-OD2 2.85Å; R41-D43 IonicContact NH2-OD1 3.16Å; R41-D43 PolarHBondContact NH2-OD1 3.24Å; R41-D43 IonicContact NH2-OD2 3.26Å; R41-D43 PolarHBondContact NH2-OD2 3.16Å; R41-D43 PolarHBondContact O-N 3.37Å
44	V	97.8	Very high	98.1	Very high	25 Å²	25	52.1 Å²	52.1	15%	0.152	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-54.5	175.2	-179.9	0	0	0	0	110.4	Y38 F39 R41 F46	Y38-V44 HydrophobicContact CD1-CG1 4.24Å; Y38-V44 HydrophobicContact CD2-CG2 4.39Å; Y38-V44 HydrophobicContact CE1-CB 4.48Å; Y38-V44 HydrophobicContact CE1-CG1 3.74Å; Y38-V44 HydrophobicContact CE1-CG2 3.94Å; Y38-V44 HydrophobicContact CE2-CG2 3.75Å; F39-V44 HydrophobicContact CD1-CG1 3.73Å; F39-V44 HydrophobicContact CE1-CG1 4.28Å; R41-V44 HydrophobicContact CB-CB 4.37Å; R41-V44 HydrophobicContact CB-CG2 4.22Å; R41-V44 PolarHBondContact O-N 3.13Å; V44-F46 HydrophobicContact CG1-CD2 3.77Å; V44-F46 HydrophobicContact CG1-CE2 4.34Å
45	S	96.5	Very high	98	Very high	77 Å²	77	55.7 Å²	55.7	54%	0.538	28%	0.28	S	S	.	.			trans	53.7	53.9	169.5	-178.7	0	0	0	0	115.6	R41 P47	R41-S45 WeakPolarHBondContact O-CA 3.37Å; R41-S45 PolarHBondContact O-N 2.78Å; S45-P47 VanDerWaalsContact C-CD 3.49Å; S45-P47 WeakPolarHBondContact O-CD 3.45Å
46	F	97.8	Very high	98	Very high	33 Å²	33	56 Å²	56	15%	0.145	28%	0.284	C	S	.	.			trans	-110.7	78.8	168.2	-68.8	-63.8	0	0	0	110.4	F39 V44 K48 A49 A50 L94 E162 D166	F39-F46 HydrophobicContact CB-CB 4.48Å; F39-F46 HydrophobicContact CD1-CB 3.88Å; F39-F46 AromaticContact CD1-CD2 3.85Å; F39-F46 HydrophobicContact CD1-CD2 3.85Å; F39-F46 HydrophobicContact CD1-CG 4.34Å; F39-F46 HydrophobicContact CE1-CD2 4.02Å; F39-F46 PolarHBondContact O-N 3.14Å; F39-F46 VanDerWaalsContact O-N 3.11Å; V44-F46 HydrophobicContact CG1-CD2 3.77Å; V44-F46 HydrophobicContact CG1-CE2 4.34Å; F46-K48 VanDerWaalsContact C-N 3.28Å; F46-K48 PolarHBondContact O-N 3.16Å; F46-A49 HydrophobicContact CB-CB 3.88Å; F46-A49 PolarHBondContact O-N 3.42Å; F46-A50 PolarHBondContact O-N 3.47Å; F46-L94 HydrophobicContact CD1-CD1 4.21Å; F46-L94 HydrophobicContact CD2-CD2 4.42Å; F46-L94 HydrophobicContact CD2-CG 4.33Å; F46-L94 HydrophobicContact CE1-CD1 4.26Å; F46-L94 HydrophobicContact CE2-CG 4.41Å; F46-L94 HydrophobicContact CG-CD1 4.39Å; F46-L94 HydrophobicContact CG-CD2 4.46Å; F46-L94 HydrophobicContact CZ-CD1 4.48Å; F46-E162 HydrophobicContact CE1-CB 4Å; F46-E162 HydrophobicContact CZ-CB 3.78Å; F46-D166 VanDerWaalsContact C-OD1 3.23Å; F46-D166 WeakPolarHBondContact CA-OD1 3.37Å; F46-D166 WeakPolarHBondContact CB-OD1 3.43Å; F46-D166 HydrophobicContact CD1-CB 3.8Å
47	P	97.2	Very high	98.1	Very high	61 Å²	61	54.5 Å²	54.5	40%	0.396	28%	0.279	S	S	.	.	H	α-helix	trans	-67.6	-23.9	-168.5	26.6	-36.3	0	0	0	114	S45 E51	S45-P47 VanDerWaalsContact C-CD 3.49Å; S45-P47 WeakPolarHBondContact O-CD 3.45Å; P47-E51 PolarHBondContact O-N 2.95Å; P47-E51 VanDerWaalsContact O-N 3.13Å
48	K	98.2	Very high	98.1	Very high	83 Å²	83	55.1 Å²	55.1	36%	0.361	28%	0.276	S	S	.	.	H	α-helix	trans	-80.6	-38.1	176.8	-62.1	-69.3	-174.4	152.7	0	110.6	F46 A50 E51 F52 D166 L170 N171	F46-K48 VanDerWaalsContact C-N 3.28Å; F46-K48 PolarHBondContact O-N 3.16Å; K48-A50 VanDerWaalsContact C-N 3.32Å; K48-E51 PolarHBondContact O-N 3.37Å; K48-F52 VanDerWaalsContact O-CB 3.28Å; K48-F52 WeakPolarHBondContact O-CB 3.39Å; K48-F52 PolarHBondContact O-N 3.31Å; K48-D166 WeakPolarHBondContact CA-OD1 3.33Å; K48-D166 WeakPolarHBondContact CB-O 3.4Å; K48-D166 VanDerWaalsContact CB-OD1 3.31Å; K48-D166 WeakPolarHBondContact CB-OD1 3.35Å; K48-D166 VanDerWaalsContact CG-O 3.28Å; K48-D166 WeakPolarHBondContact CG-O 3.46Å; K48-D166 PolarHBondContact N-OD1 2.99Å; K48-L170 HydrophobicContact CB-CB 3.96Å; K48-N171 WeakPolarHBondContact CD-OD1 3.23Å; K48-N171 WeakPolarHBondContact CE-OD1 3.46Å; K48-N171 PolarHBondContact NZ-OD1 2.99Å
49	A	98.2	Very high	98.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.9	-42.9	167.6	0	0	0	0	0	112.2	F39 F46 F52 F53 L94 D166 L170	F39-A49 HydrophobicContact CB-CB 4.28Å; F39-A49 HydrophobicContact CD1-CB 4.18Å; F39-A49 HydrophobicContact CD2-CB 4.25Å; F39-A49 HydrophobicContact CG-CB 3.97Å; F46-A49 HydrophobicContact CB-CB 3.88Å; F46-A49 PolarHBondContact O-N 3.42Å; A49-F52 PolarHBondContact O-N 2.91Å; A49-F53 HydrophobicContact CB-CE2 4.42Å; A49-F53 WeakPolarHBondContact O-CD2 3.46Å; A49-F53 PolarHBondContact O-N 3.24Å; A49-L94 HydrophobicContact CB-CD2 3.62Å; A49-D166 PolarHBondContact N-OD1 2.93Å; A49-L170 HydrophobicContact CB-CD1 3.71Å
50	A	98.1	Very high	98.1	Very high	2 Å²	2	58.2 Å²	58.2	2%	0.017	29%	0.291	C	S	.	.	H	α-helix	trans	-56.2	-52.8	174.9	0	0	0	0	0	111.3	F36 F39 D40 F46 K48 F52 F53 R54	F36-A50 HydrophobicContact CD2-CB 3.9Å; F36-A50 WeakPolarHBondContact CD2-O 3.35Å; F36-A50 HydrophobicContact CE2-CB 4.26Å; F39-A50 HydrophobicContact CB-CB 3.94Å; D40-A50 HydrophobicContact CB-CB 4.11Å; F46-A50 PolarHBondContact O-N 3.47Å; K48-A50 VanDerWaalsContact C-N 3.32Å; A50-F52 PolarHBondContact O-N 2.94Å; A50-F53 PolarHBondContact O-N 3.08Å; A50-R54 WeakPolarHBondContact O-CB 3.47Å; A50-R54 PolarHBondContact O-N 3.14Å
51	E	98	Very high	98.1	Very high	78 Å²	78	60.1 Å²	60.1	36%	0.364	29%	0.291	S	S	.	.	H	α-helix	trans	-65.1	-38	179.3	-175.2	61.9	-171.6	0	0	112.6	P47 K48 R54 K55	P47-E51 PolarHBondContact O-N 2.95Å; P47-E51 VanDerWaalsContact O-N 3.13Å; K48-E51 PolarHBondContact O-N 3.37Å; E51-R54 WeakPolarHBondContact O-CB 3.38Å; E51-R54 PolarHBondContact O-N 3.01Å; E51-R54 IonicContact OE1-NH1 3.15Å; E51-R54 IonicContact OE2-NH1 2.85Å; E51-K55 WeakPolarHBondContact O-CG 3.22Å; E51-K55 PolarHBondContact O-N 3.18Å
52	F	98.2	Very high	98.1	Very high	33 Å²	33	62.3 Å²	62.3	15%	0.145	31%	0.305	C	S	.	.	H	α-helix	trans	-58.6	-52.7	175.3	174.6	-94.2	0	0	0	111.6	K48 A49 A50 R54 K55 A56 F146 Y149 L170	K48-F52 VanDerWaalsContact O-CB 3.28Å; K48-F52 WeakPolarHBondContact O-CB 3.39Å; K48-F52 PolarHBondContact O-N 3.31Å; A49-F52 PolarHBondContact O-N 2.91Å; A50-F52 PolarHBondContact O-N 2.94Å; F52-R54 VanDerWaalsContact C-N 3.26Å; F52-R54 PolarHBondContact O-N 3.34Å; F52-K55 WeakPolarHBondContact O-CB 3.37Å; F52-K55 PolarHBondContact O-N 3.27Å; F52-K55 VanDerWaalsContact O-N 3.14Å; F52-A56 PolarHBondContact O-N 3.24Å; F52-F146 AromaticContact CE1-CE1 3.68Å; F52-F146 HydrophobicContact CE1-CE1 3.68Å; F52-F146 AromaticContact CE1-CZ 3.68Å; F52-F146 HydrophobicContact CE1-CZ 3.68Å; F52-F146 HydrophobicContact CZ-CE1 4.02Å; F52-F146 AromaticContact CZ-CZ 3.84Å; F52-F146 HydrophobicContact CZ-CZ 3.84Å; F52-Y149 AromaticContact CE2-CE2 3.89Å; F52-Y149 HydrophobicContact CE2-CE2 3.89Å; F52-Y149 HydrophobicContact CZ-CD2 4.38Å; F52-Y149 AromaticContact CZ-CE2 3.83Å; F52-Y149 HydrophobicContact CZ-CE2 3.83Å; F52-L170 HydrophobicContact CD2-CD2 4.28Å; F52-L170 HydrophobicContact CG-CD2 4.24Å
53	F	98.1	Very high	98.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.6	-25	178.9	-69.6	-60	0	0	0	112.9	Y32 F35 F36 F39 A49 A50 S57 A97 M98 A101 F146	Y32-F53 AromaticContact CD1-CD1 3.61Å; Y32-F53 HydrophobicContact CD1-CD1 3.61Å; Y32-F53 HydrophobicContact CD1-CE1 4.24Å; Y32-F53 AromaticContact CE1-CD1 3.77Å; Y32-F53 HydrophobicContact CE1-CD1 3.77Å; Y32-F53 AromaticContact CE1-CE1 3.97Å; Y32-F53 HydrophobicContact CE1-CE1 3.97Å; F35-F53 HydrophobicContact CB-CB 3.85Å; F35-F53 HydrophobicContact CB-CD1 4.1Å; F35-F53 HydrophobicContact CB-CD2 3.99Å; F35-F53 HydrophobicContact CB-CG 3.71Å; F35-F53 AromaticContact CD2-CD1 3.85Å; F35-F53 HydrophobicContact CD2-CD1 3.85Å; F35-F53 HydrophobicContact CD2-CD2 4.39Å; F35-F53 AromaticContact CD2-CE1 3.7Å; F35-F53 HydrophobicContact CD2-CE1 3.7Å; F35-F53 HydrophobicContact CD2-CE2 4.27Å; F35-F53 HydrophobicContact CD2-CG 4.21Å; F35-F53 AromaticContact CD2-CZ 3.93Å; F35-F53 HydrophobicContact CD2-CZ 3.93Å; F35-F53 HydrophobicContact CE2-CE1 4.31Å; F35-F53 HydrophobicContact CG-CD1 4.39Å; F35-F53 HydrophobicContact CG-CG 4.45Å; F36-F53 HydrophobicContact CB-CB 4.26Å; F39-F53 AromaticContact CD2-CD2 3.59Å; F39-F53 HydrophobicContact CD2-CD2 3.59Å; F39-F53 AromaticContact CD2-CE2 3.74Å; F39-F53 HydrophobicContact CD2-CE2 3.74Å; F39-F53 AromaticContact CE2-CD2 3.76Å; F39-F53 HydrophobicContact CE2-CD2 3.76Å; F39-F53 AromaticContact CE2-CE2 3.42Å; F39-F53 HydrophobicContact CE2-CE2 3.42Å; F39-F53 VanDerWaalsContact CE2-CE2 3.42Å; F39-F53 HydrophobicContact CE2-CZ 4.42Å; F39-F53 HydrophobicContact CZ-CE2 4.33Å; A49-F53 HydrophobicContact CB-CE2 4.42Å; A49-F53 WeakPolarHBondContact O-CD2 3.46Å; A49-F53 PolarHBondContact O-N 3.24Å; A50-F53 PolarHBondContact O-N 3.08Å; F53-S57 WeakPolarHBondContact O-CB 3.44Å; F53-S57 PolarHBondContact O-N 2.91Å; F53-A97 HydrophobicContact CE2-CB 4.28Å; F53-A97 HydrophobicContact CZ-CB 4.14Å; F53-M98 HydrophobicContact CE2-CE 4.45Å; F53-M98 HydrophobicContact CZ-CE 4.01Å; F53-M98 HydrophobicContact CZ-SD 4.01Å; F53-A101 HydrophobicContact CE1-CB 4.21Å; F53-F146 AromaticContact CE1-CE1 3.98Å; F53-F146 HydrophobicContact CE1-CE1 3.98Å; F53-F146 HydrophobicContact CE1-CZ 4.36Å
54	R	98.4	Very high	98.2	Very high	94 Å²	94	51.1 Å²	51.1	36%	0.355	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-42.8	170.5	-175.6	176.8	178.1	-91.4	-5.3	111.4	F36 A50 E51 F52 S57 H58	F36-R54 HydrophobicContact CB-CB 4.15Å; F36-R54 HydrophobicContact CD1-CB 4.32Å; F36-R54 HydrophobicContact CD1-CG 4.36Å; F36-R54 HydrophobicContact CD2-CB 3.86Å; F36-R54 HydrophobicContact CD2-CG 4.49Å; F36-R54 HydrophobicContact CE2-CB 4.39Å; F36-R54 HydrophobicContact CG-CB 3.82Å; F36-R54 HydrophobicContact CG-CG 4.34Å; A50-R54 WeakPolarHBondContact O-CB 3.47Å; A50-R54 PolarHBondContact O-N 3.14Å; E51-R54 WeakPolarHBondContact O-CB 3.38Å; E51-R54 PolarHBondContact O-N 3.01Å; E51-R54 IonicContact OE1-NH1 3.15Å; E51-R54 IonicContact OE2-NH1 2.85Å; F52-R54 VanDerWaalsContact C-N 3.26Å; F52-R54 PolarHBondContact O-N 3.34Å; R54-S57 PolarHBondContact O-N 3.02Å; R54-H58 PolarHBondContact O-N 2.9Å
55	K	98.1	Very high	98.2	Very high	86 Å²	86	53.6 Å²	53.6	37%	0.374	26%	0.255	S	S	.	.	H	α-helix	trans	-63	-47.7	174.4	-70.7	174.8	178.3	-175	0	110.9	E51 F52 S57 H58 E59 E172	E51-K55 WeakPolarHBondContact O-CG 3.22Å; E51-K55 PolarHBondContact O-N 3.18Å; F52-K55 WeakPolarHBondContact O-CB 3.37Å; F52-K55 PolarHBondContact O-N 3.27Å; F52-K55 VanDerWaalsContact O-N 3.14Å; K55-S57 VanDerWaalsContact C-N 3.31Å; K55-S57 PolarHBondContact O-N 3.35Å; K55-H58 WeakPolarHBondContact O-CB 3.36Å; K55-H58 PolarHBondContact O-N 3.28Å; K55-E59 PolarHBondContact O-N 3.16Å; K55-E172 VanDerWaalsContact NZ-C 3.28Å; K55-E172 PolarHBondContact NZ-O 3Å; K55-E172 PolarHBondContact NZ-OXT 3.09Å
56	A	98	Very high	98.3	Very high	11 Å²	11	52.6 Å²	52.6	9%	0.091	24%	0.241	C	C	.	.	H	α-helix	trans	-56.4	-43.8	175.6	0	0	0	0	0	112.2	Y32 F52 H58 E59 E60	Y32-A56 HydrophobicContact CD1-CB 4.28Å; Y32-A56 HydrophobicContact CD2-CB 3.93Å; Y32-A56 HydrophobicContact CE2-CB 4.16Å; Y32-A56 HydrophobicContact CG-CB 4Å; F52-A56 PolarHBondContact O-N 3.24Å; A56-H58 VanDerWaalsContact C-N 3.29Å; A56-H58 PolarHBondContact O-N 3.23Å; A56-E59 PolarHBondContact O-N 3.02Å; A56-E60 WeakPolarHBondContact O-CG 3.45Å; A56-E60 PolarHBondContact O-N 2.86Å
57	S	98.5	Very high	98.4	Very high	13 Å²	13	51 Å²	51	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-58.2	-39.1	175	179.3	0	0	0	0	113.1	A29 F53 R54 K55 R61	A29-S57 WeakPolarHBondContact CB-O 3.49Å; A29-S57 WeakPolarHBondContact O-CB 3.45Å; A29-S57 PolarHBondContact O-OG 2.87Å; F53-S57 WeakPolarHBondContact O-CB 3.44Å; F53-S57 PolarHBondContact O-N 2.91Å; R54-S57 PolarHBondContact O-N 3.02Å; K55-S57 VanDerWaalsContact C-N 3.31Å; K55-S57 PolarHBondContact O-N 3.35Å; S57-R61 PolarHBondContact O-N 3.26Å
58	H	98.6	Very high	98.5	Very high	87 Å²	87	48.7 Å²	48.7	40%	0.403	22%	0.219	S	C	.	.	H	α-helix	trans	-71.9	-41.8	176.9	-68.5	174.7	0	0	0	112.3	R54 K55 A56 R61 E62	R54-H58 PolarHBondContact O-N 2.9Å; K55-H58 WeakPolarHBondContact O-CB 3.36Å; K55-H58 PolarHBondContact O-N 3.28Å; A56-H58 VanDerWaalsContact C-N 3.29Å; A56-H58 PolarHBondContact O-N 3.23Å; H58-R61 WeakPolarHBondContact O-CB 3.42Å; H58-R61 PolarHBondContact O-N 3.05Å; H58-R61 VanDerWaalsContact O-N 3.14Å; H58-E62 WeakPolarHBondContact O-CG 3.21Å; H58-E62 PolarHBondContact O-N 3.4Å
59	E	98.3	Very high	98.5	Very high	88 Å²	88	51.4 Å²	51.4	41%	0.411	23%	0.231	S	C	.	.	H	α-helix	trans	-59.4	-46.3	178.4	-172.3	171.1	174	0	0	111.4	K55 A56 R61 E62 H63	K55-E59 PolarHBondContact O-N 3.16Å; A56-E59 PolarHBondContact O-N 3.02Å; E59-R61 VanDerWaalsContact C-N 3.26Å; E59-R61 PolarHBondContact O-N 3.44Å; E59-E62 CarbonylContact O-C 3.59Å; E59-E62 WeakPolarHBondContact O-CA 3.44Å; E59-E62 WeakPolarHBondContact O-CB 3.41Å; E59-E62 PolarHBondContact O-N 2.85Å; E59-H63 PolarHBondContact O-N 2.96Å
60	E	98.7	Very high	98.5	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-63.9	-32.6	175.7	-63.5	-65.9	-161.3	0	0	113.1	E25 A28 A29 Y32 A56 E62 H63 A64	E25-E60 WeakPolarHBondContact CB-O 3.33Å; A28-E60 HydrophobicContact CB-CB 4.27Å; A28-E60 HydrophobicContact CB-CG 3.95Å; A29-E60 HydrophobicContact CB-CB 3.84Å; Y32-E60 HydrophobicContact CD2-CG 3.94Å; Y32-E60 HydrophobicContact CE2-CG 4.12Å; A56-E60 WeakPolarHBondContact O-CG 3.45Å; A56-E60 PolarHBondContact O-N 2.86Å; E60-E62 VanDerWaalsContact C-N 3.35Å; E60-H63 WeakPolarHBondContact O-CB 3.36Å; E60-H63 PolarHBondContact O-N 3.47Å; E60-H63 IonicContact OE2-CE1 3.67Å; E60-H63 IonicContact OE2-CG 3.96Å; E60-H63 IonicContact OE2-ND1 2.98Å; E60-H63 PolarHBondContact OE2-ND1 2.98Å; E60-A64 PolarHBondContact O-N 3.43Å
61	R	98.8	Very high	98.5	Very high	145 Å²	145	52 Å²	52	55%	0.547	23%	0.233	S	C	.	.	H	α-helix	trans	-68.2	-37.8	171.7	179.7	177.5	148.4	-176.9	-9	111.3	A29 S57 H58 E59 H63 A64 E65	A29-R61 HydrophobicContact CB-CB 4.15Å; S57-R61 PolarHBondContact O-N 3.26Å; H58-R61 WeakPolarHBondContact O-CB 3.42Å; H58-R61 PolarHBondContact O-N 3.05Å; H58-R61 VanDerWaalsContact O-N 3.14Å; E59-R61 VanDerWaalsContact C-N 3.26Å; E59-R61 PolarHBondContact O-N 3.44Å; R61-H63 VanDerWaalsContact C-N 3.31Å; R61-A64 WeakPolarHBondContact O-CB 3.38Å; R61-A64 PolarHBondContact O-N 3.27Å; R61-E65 IonicContact CZ-OE1 3.83Å; R61-E65 IonicContact NE-OE1 3.92Å; R61-E65 PolarHBondContact NE-OE1 2.88Å; R61-E65 IonicContact NH2-OE1 2.7Å; R61-E65 WeakPolarHBondContact O-CG 3.41Å; R61-E65 PolarHBondContact O-N 2.95Å
62	E	98.7	Very high	98.6	Very high	128 Å²	128	52.9 Å²	52.9	60%	0.598	24%	0.24	S	C	*	.	H	α-helix	trans	-63.8	-36.9	173.2	-69.4	-175	-176.2	0	0	111.6	H58 E59 E60 E65 K66	H58-E62 WeakPolarHBondContact O-CG 3.21Å; H58-E62 PolarHBondContact O-N 3.4Å; E59-E62 CarbonylContact O-C 3.59Å; E59-E62 WeakPolarHBondContact O-CA 3.44Å; E59-E62 WeakPolarHBondContact O-CB 3.41Å; E59-E62 PolarHBondContact O-N 2.85Å; E60-E62 VanDerWaalsContact C-N 3.35Å; E62-E65 PolarHBondContact O-N 3.28Å; E62-K66 WeakPolarHBondContact O-CB 3.45Å; E62-K66 PolarHBondContact O-N 2.83Å
63	H	98.8	Very high	98.6	Very high	18 Å²	18	58.8 Å²	58.8	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-58.7	-48.9	170.8	-64.5	162.6	0	0	0	111.9	E25 E59 E60 R61 E65 K66 L67 F135 E138	E25-H63 HydrophobicContact CB-CB 4.24Å; E25-H63 HydrophobicContact CG-CB 3.91Å; E59-H63 PolarHBondContact O-N 2.96Å; E60-H63 WeakPolarHBondContact O-CB 3.36Å; E60-H63 PolarHBondContact O-N 3.47Å; E60-H63 IonicContact OE2-CE1 3.67Å; E60-H63 IonicContact OE2-CG 3.96Å; E60-H63 IonicContact OE2-ND1 2.98Å; E60-H63 PolarHBondContact OE2-ND1 2.98Å; R61-H63 VanDerWaalsContact C-N 3.31Å; H63-E65 VanDerWaalsContact C-N 3.29Å; H63-E65 PolarHBondContact O-N 3.28Å; H63-K66 WeakPolarHBondContact O-CB 3.38Å; H63-K66 PolarHBondContact O-N 3.44Å; H63-K66 VanDerWaalsContact O-N 3.15Å; H63-L67 WeakPolarHBondContact O-CG 3.48Å; H63-L67 PolarHBondContact O-N 3.15Å; H63-F135 HydrophobicContact CB-CE1 3.95Å; H63-E138 IonicContact NE2-OE1 3.29Å; H63-E138 PolarHBondContact NE2-OE1 3.22Å; H63-E138 IonicContact NE2-OE2 3.42Å
64	A	98.8	Very high	98.6	Very high	4 Å²	4	60.2 Å²	60.2	3%	0.033	27%	0.271	C	S	.	.	H	α-helix	trans	-56.9	-43.4	174.6	0	0	0	0	0	112.1	E25 L26 E60 R61 A68	E25-A64 HydrophobicContact CB-CB 3.86Å; L26-A64 HydrophobicContact CD2-CB 3.75Å; L26-A64 HydrophobicContact CG-CB 3.73Å; E60-A64 PolarHBondContact O-N 3.43Å; R61-A64 WeakPolarHBondContact O-CB 3.38Å; R61-A64 PolarHBondContact O-N 3.27Å; A64-A68 WeakPolarHBondContact O-CB 3.46Å; A64-A68 PolarHBondContact O-N 3.12Å
65	E	98.8	Very high	98.6	Very high	77 Å²	77	55.9 Å²	55.9	36%	0.36	26%	0.255	S	S	.	.	H	α-helix	trans	-66.1	-38.7	177.5	-71.3	-178.1	-163.1	0	0	112.1	R61 E62 H63 A68 K69	R61-E65 IonicContact CZ-OE1 3.83Å; R61-E65 IonicContact NE-OE1 3.92Å; R61-E65 PolarHBondContact NE-OE1 2.88Å; R61-E65 IonicContact NH2-OE1 2.7Å; R61-E65 WeakPolarHBondContact O-CG 3.41Å; R61-E65 PolarHBondContact O-N 2.95Å; E62-E65 PolarHBondContact O-N 3.28Å; H63-E65 VanDerWaalsContact C-N 3.29Å; H63-E65 PolarHBondContact O-N 3.28Å; E65-A68 PolarHBondContact O-N 3.02Å; E65-K69 WeakPolarHBondContact O-CB 3.48Å; E65-K69 VanDerWaalsContact O-CG 3.32Å; E65-K69 WeakPolarHBondContact O-CG 3.48Å; E65-K69 PolarHBondContact O-N 3.07Å
66	K	98.7	Very high	98.6	Very high	56 Å²	56	51.8 Å²	51.8	24%	0.243	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-47.3	176.6	-163.1	-170.4	-65.1	-178.5	0	110.6	E62 H63 K69 Y70 F130 E134 F135	E62-K66 WeakPolarHBondContact O-CB 3.45Å; E62-K66 PolarHBondContact O-N 2.83Å; H63-K66 WeakPolarHBondContact O-CB 3.38Å; H63-K66 PolarHBondContact O-N 3.44Å; H63-K66 VanDerWaalsContact O-N 3.15Å; K66-K69 PolarHBondContact O-N 3.12Å; K66-Y70 PolarHBondContact O-N 3.48Å; K66-F130 HydrophobicContact CD-CE2 4.4Å; K66-F130 HydrophobicContact CG-CE2 4.32Å; K66-F130 HydrophobicContact CG-CZ 4.25Å; K66-E134 HydrophobicContact CD-CB 3.83Å; K66-E134 HydrophobicContact CD-CG 4.15Å; K66-E134 WeakPolarHBondContact CD-OE2 3.47Å; K66-E134 VanDerWaalsContact CE-OE2 3.31Å; K66-E134 WeakPolarHBondContact CE-OE2 3.49Å; K66-E134 PolarHBondContact NZ-O 3.03Å; K66-E134 VanDerWaalsContact NZ-O 3.16Å; K66-E134 IonicContact NZ-OE2 3.66Å; K66-E134 PolarHBondContact NZ-OE2 3.5Å; K66-F135 HydrophobicContact CB-CZ 4.15Å; K66-F135 HydrophobicContact CD-CE1 4.43Å; K66-F135 HydrophobicContact CD-CE2 4.11Å; K66-F135 HydrophobicContact CD-CZ 3.75Å; K66-F135 HydrophobicContact CG-CZ 4.2Å
67	L	98.9	Very high	98.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-44.8	174.4	-69.7	167.4	0	0	0	112.1	I18 Q21 I22 E25 H63 K69 Y70 Q71 F130 I131 F135	I18-L67 HydrophobicContact CG2-CB 4.29Å; Q21-L67 HydrophobicContact CB-CD1 3.97Å; Q21-L67 HydrophobicContact CG-CD1 3.53Å; Q21-L67 HydrophobicContact CG-CD2 4.44Å; I22-L67 HydrophobicContact CD1-CB 4.22Å; I22-L67 HydrophobicContact CG1-CB 3.51Å; I22-L67 HydrophobicContact CG1-CD1 4.24Å; E25-L67 HydrophobicContact CG-CD1 3.63Å; H63-L67 WeakPolarHBondContact O-CG 3.48Å; H63-L67 PolarHBondContact O-N 3.15Å; L67-K69 VanDerWaalsContact C-N 3.35Å; L67-K69 PolarHBondContact O-N 3.32Å; L67-Y70 PolarHBondContact O-N 2.83Å; L67-Q71 WeakPolarHBondContact O-CB 3.49Å; L67-Q71 PolarHBondContact O-N 2.63Å; L67-F130 HydrophobicContact CD2-CE1 4.03Å; L67-I131 HydrophobicContact CD2-CD1 4.28Å; L67-F135 HydrophobicContact CD1-CE1 4.42Å; L67-F135 HydrophobicContact CD1-CZ 4.47Å; L67-F135 HydrophobicContact CD2-CE1 4.3Å; L67-F135 HydrophobicContact CD2-CE2 3.95Å; L67-F135 HydrophobicContact CD2-CZ 3.66Å; L67-F135 HydrophobicContact CG-CE1 4.05Å; L67-F135 HydrophobicContact CG-CE2 4.42Å; L67-F135 HydrophobicContact CG-CZ 3.64Å
68	A	98.8	Very high	98.6	Very high	11 Å²	11	57.7 Å²	57.7	9%	0.091	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-39.1	178.2	0	0	0	0	0	112.4	I22 A64 E65 Q71 N72 V78	I22-A68 HydrophobicContact CD1-CB 4.03Å; A64-A68 WeakPolarHBondContact O-CB 3.46Å; A64-A68 PolarHBondContact O-N 3.12Å; E65-A68 PolarHBondContact O-N 3.02Å; A68-Q71 WeakPolarHBondContact O-CB 3.4Å; A68-Q71 PolarHBondContact O-N 3.34Å; A68-N72 PolarHBondContact O-N 2.92Å; A68-N72 VanDerWaalsContact O-N 3.15Å; A68-N72 PolarHBondContact O-ND2 3.01Å; A68-V78 HydrophobicContact CB-CG2 3.99Å
69	K	98.7	Very high	98.6	Very high	140 Å²	140	59.1 Å²	59.1	61%	0.609	27%	0.266	S	S	*	.	H	α-helix	trans	-64.1	-43.4	172.9	-75.5	170.2	-176	162.8	0	111	E65 K66 L67 N72 K73	E65-K69 WeakPolarHBondContact O-CB 3.48Å; E65-K69 VanDerWaalsContact O-CG 3.32Å; E65-K69 WeakPolarHBondContact O-CG 3.48Å; E65-K69 PolarHBondContact O-N 3.07Å; K66-K69 PolarHBondContact O-N 3.12Å; L67-K69 VanDerWaalsContact C-N 3.35Å; L67-K69 PolarHBondContact O-N 3.32Å; K69-N72 PolarHBondContact O-N 2.95Å; K69-K73 WeakPolarHBondContact O-CB 3.41Å; K69-K73 PolarHBondContact O-N 2.7Å
70	Y	98.8	Very high	98.6	Very high	16 Å²	16	62.6 Å²	62.6	6%	0.063	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-42.3	177	-170.7	-86	0	0	0	112.4	I18 K66 L67 N72 K73 R74 A126 L127 F130	I18-Y70 HydrophobicContact CD1-CD1 3.89Å; I18-Y70 HydrophobicContact CD1-CE1 4.22Å; K66-Y70 PolarHBondContact O-N 3.48Å; L67-Y70 PolarHBondContact O-N 2.83Å; Y70-N72 VanDerWaalsContact C-N 3.31Å; Y70-N72 PolarHBondContact O-N 3.09Å; Y70-K73 WeakPolarHBondContact O-CB 3.27Å; Y70-K73 PolarHBondContact O-N 3.33Å; Y70-K73 VanDerWaalsContact O-N 3.12Å; Y70-R74 HydrophobicContact CD1-CG 3.91Å; Y70-R74 HydrophobicContact CE1-CG 3.37Å; Y70-R74 PolarHBondContact O-N 3.44Å; Y70-R74 PolarHBondContact OH-NH1 3.35Å; Y70-A126 PolarHBondContact OH-O 2.94Å; Y70-L127 HydrophobicContact CD1-CD1 4.34Å; Y70-L127 HydrophobicContact CE1-CD1 3.74Å; Y70-L127 WeakPolarHBondContact OH-CA 3.45Å; Y70-L127 PolarHBondContact OH-N 3.45Å; Y70-F130 VanDerWaalsContact CB-CZ 3.4Å; Y70-F130 AromaticContact CD1-CD1 3.82Å; Y70-F130 HydrophobicContact CD1-CD1 3.82Å; Y70-F130 AromaticContact CD1-CE1 3.84Å; Y70-F130 HydrophobicContact CD1-CE1 3.84Å; Y70-F130 HydrophobicContact CD1-CG 4.44Å; Y70-F130 HydrophobicContact CD2-CB 4.08Å; Y70-F130 AromaticContact CD2-CD1 3.5Å; Y70-F130 HydrophobicContact CD2-CD1 3.5Å; Y70-F130 AromaticContact CD2-CD2 3.39Å; Y70-F130 HydrophobicContact CD2-CD2 3.39Å; Y70-F130 AromaticContact CD2-CE1 3.64Å; Y70-F130 HydrophobicContact CD2-CE1 3.64Å; Y70-F130 AromaticContact CD2-CE2 3.54Å; Y70-F130 HydrophobicContact CD2-CE2 3.54Å; Y70-F130 AromaticContact CD2-CG 3.36Å; Y70-F130 HydrophobicContact CD2-CG 3.36Å; Y70-F130 AromaticContact CD2-CZ 3.66Å; Y70-F130 HydrophobicContact CD2-CZ 3.66Å; Y70-F130 HydrophobicContact CE1-CD1 4.01Å; Y70-F130 HydrophobicContact CE1-CE1 4.49Å; Y70-F130 HydrophobicContact CE1-CG 4.42Å; Y70-F130 HydrophobicContact CE2-CB 3.48Å; Y70-F130 VanDerWaalsContact CE2-CB 3.48Å; Y70-F130 AromaticContact CE2-CD1 3.69Å; Y70-F130 HydrophobicContact CE2-CD1 3.69Å; Y70-F130 AromaticContact CE2-CD2 3.67Å; Y70-F130 HydrophobicContact CE2-CD2 3.67Å; Y70-F130 HydrophobicContact CE2-CE1 4.3Å; Y70-F130 HydrophobicContact CE2-CE2 4.3Å; Y70-F130 AromaticContact CE2-CG 3.31Å; Y70-F130 HydrophobicContact CE2-CG 3.31Å; Y70-F130 AromaticContact CG-CD1 3.57Å; Y70-F130 HydrophobicContact CG-CD1 3.57Å; Y70-F130 HydrophobicContact CG-CD2 4.17Å; Y70-F130 AromaticContact CG-CE1 3.37Å; Y70-F130 HydrophobicContact CG-CE1 3.37Å; Y70-F130 HydrophobicContact CG-CE2 4.02Å; Y70-F130 AromaticContact CG-CG 3.95Å; Y70-F130 HydrophobicContact CG-CG 3.95Å; Y70-F130 AromaticContact CG-CZ 3.62Å; Y70-F130 HydrophobicContact CG-CZ 3.62Å; Y70-F130 AromaticContact CZ-CD1 3.94Å; Y70-F130 AromaticContact CZ-CG 3.89Å
71	Q	98.8	Very high	98.5	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-52.6	-49.5	173.3	-174.1	76.1	-78.7	0	0	111	E15 I18 N19 L67 A68 R74 G75 G76 V78	E15-Q71 PolarHBondContact O-NE2 2.96Å; I18-Q71 HydrophobicContact CG2-CB 4.09Å; N19-Q71 VanDerWaalsContact CG-NE2 3.32Å; N19-Q71 PolarHBondContact OD1-NE2 3.29Å; L67-Q71 WeakPolarHBondContact O-CB 3.49Å; L67-Q71 PolarHBondContact O-N 2.63Å; A68-Q71 WeakPolarHBondContact O-CB 3.4Å; A68-Q71 PolarHBondContact O-N 3.34Å; Q71-R74 PolarHBondContact O-N 2.94Å; Q71-G75 PolarHBondContact O-N 2.96Å; Q71-G76 WeakPolarHBondContact O-CA 3.42Å; Q71-G76 PolarHBondContact O-N 3.42Å; Q71-V78 HydrophobicContact CB-CG2 4.01Å; Q71-V78 HydrophobicContact CG-CG2 3.88Å
72	N	98.4	Very high	98.5	Very high	95 Å²	95	66 Å²	66	51%	0.508	31%	0.312	S	S	.	.	H	α-helix	trans	-66.4	-40.2	177.5	-72.3	-35.8	0	0	0	112.3	A68 K69 Y70 R74 G75	A68-N72 PolarHBondContact O-N 2.92Å; A68-N72 VanDerWaalsContact O-N 3.15Å; A68-N72 PolarHBondContact O-ND2 3.01Å; K69-N72 PolarHBondContact O-N 2.95Å; Y70-N72 VanDerWaalsContact C-N 3.31Å; Y70-N72 PolarHBondContact O-N 3.09Å; N72-R74 VanDerWaalsContact C-N 3.32Å; N72-R74 PolarHBondContact O-N 2.86Å; N72-G75 PolarHBondContact O-N 3.4Å
73	K	98.3	Very high	98.5	Very high	158 Å²	158	63.3 Å²	63.3	69%	0.687	30%	0.301	S	S	*	.	H	α-helix	trans	-57.3	-42.4	176.7	-178.7	-176.6	178.1	-176.5	0	111.8	K69 Y70 G75	K69-K73 WeakPolarHBondContact O-CB 3.41Å; K69-K73 PolarHBondContact O-N 2.7Å; Y70-K73 WeakPolarHBondContact O-CB 3.27Å; Y70-K73 PolarHBondContact O-N 3.33Å; Y70-K73 VanDerWaalsContact O-N 3.12Å; K73-G75 PolarHBondContact O-N 3.32Å
74	R	98.3	Very high	98.4	Very high	30 Å²	30	70.2 Å²	70.2	11%	0.113	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	1.9	177.7	-64.6	-61.8	-60.6	-78.4	-4.8	113.9	R7 Q8 S9 F10 Y70 Q71 N72 G76 D124	R7-R74 WeakPolarHBondContact CA-O 3.35Å; Q8-R74 PolarHBondContact O-NH2 3.34Å; S9-R74 PolarHBondContact O-NH2 2.94Å; S9-R74 VanDerWaalsContact O-NH2 3.07Å; F10-R74 HydrophobicContact CB-CB 4.47Å; F10-R74 HydrophobicContact CD1-CB 3.81Å; F10-R74 HydrophobicContact CD2-CB 3.96Å; F10-R74 HydrophobicContact CD2-CG 4.31Å; F10-R74 HydrophobicContact CE1-CB 3.96Å; F10-R74 HydrophobicContact CE2-CB 4.11Å; F10-R74 HydrophobicContact CE2-CG 4.37Å; F10-R74 HydrophobicContact CG-CB 3.82Å; F10-R74 HydrophobicContact CZ-CB 4.11Å; Y70-R74 HydrophobicContact CD1-CG 3.91Å; Y70-R74 HydrophobicContact CE1-CG 3.37Å; Y70-R74 PolarHBondContact O-N 3.44Å; Y70-R74 PolarHBondContact OH-NH1 3.35Å; Q71-R74 PolarHBondContact O-N 2.94Å; N72-R74 VanDerWaalsContact C-N 3.32Å; N72-R74 PolarHBondContact O-N 2.86Å; R74-G76 VanDerWaalsContact C-N 3.33Å; R74-D124 IonicContact CZ-OD1 3.54Å; R74-D124 IonicContact CZ-OD2 3.31Å; R74-D124 VanDerWaalsContact CZ-OD2 3.31Å; R74-D124 VanDerWaalsContact NH1-CG 3.34Å; R74-D124 IonicContact NH1-OD1 2.76Å; R74-D124 PolarHBondContact NH1-OD1 2.99Å; R74-D124 IonicContact NH1-OD2 2.68Å; R74-D124 PolarHBondContact NH1-OD2 3.14Å; R74-D124 IonicContact NH2-OD1 3.3Å; R74-D124 PolarHBondContact NH2-OD1 2.85Å; R74-D124 IonicContact NH2-OD2 2.78Å; R74-D124 PolarHBondContact NH2-OD2 2.74Å
75	G	98.3	Very high	98.4	Very high	2 Å²	2	74.5 Å²	74.5	2%	0.021	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	14.4	179.1	0	0	0	0	0	114.4	S4 Q71 N72 K73 R77	S4-G75 WeakPolarHBondContact CB-O 3.43Å; S4-G75 WeakPolarHBondContact OG-CA 3.42Å; S4-G75 PolarHBondContact OG-O 3.33Å; Q71-G75 PolarHBondContact O-N 2.96Å; N72-G75 PolarHBondContact O-N 3.4Å; K73-G75 PolarHBondContact O-N 3.32Å; G75-R77 PolarHBondContact O-NH1 3.18Å
76	G	98.2	Very high	98.3	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.347	C	S	.	.			trans	-73	-178	169.9	0	0	0	0	0	113	E15 Q71 R74	E15-G76 VanDerWaalsContact OE1-C 3.31Å; E15-G76 WeakPolarHBondContact OE1-CA 3.5Å; Q71-G76 WeakPolarHBondContact O-CA 3.42Å; Q71-G76 PolarHBondContact O-N 3.42Å; R74-G76 VanDerWaalsContact C-N 3.33Å
77	R	98.1	Very high	98.1	Very high	114 Å²	114	75.8 Å²	75.8	43%	0.43	38%	0.378	S	S	.	.			trans	-128.1	121.9	176.8	-63.4	-64.4	178.2	-86.8	-0.9	109	E15 N19 G75 Q79	E15-R77 PolarHBondContact OE1-N 2.85Å; N19-R77 PolarHBondContact ND2-O 2.94Å; N19-R77 PolarHBondContact OD1-O 3.21Å; G75-R77 PolarHBondContact O-NH1 3.18Å; R77-Q79 PolarHBondContact O-N 3.42Å
78	V	98.6	Very high	97.9	Very high	34 Å²	34	78.9 Å²	78.9	21%	0.206	39%	0.391	C	S	.	.			trans	-65.6	128	172.6	-176.9	0	0	0	0	108.8	N19 I22 A68 Q71 Y80	N19-V78 WeakPolarHBondContact OD1-CA 3.41Å; I22-V78 HydrophobicContact CD1-CG1 4.13Å; I22-V78 HydrophobicContact CD1-CG2 4.43Å; A68-V78 HydrophobicContact CB-CG2 3.99Å; Q71-V78 HydrophobicContact CB-CG2 4.01Å; Q71-V78 HydrophobicContact CG-CG2 3.88Å; V78-Y80 HydrophobicContact CG1-CD1 4.15Å; V78-Y80 HydrophobicContact CG1-CD2 4.3Å; V78-Y80 HydrophobicContact CG1-CE1 3.65Å; V78-Y80 HydrophobicContact CG1-CE2 3.83Å; V78-Y80 HydrophobicContact CG1-CG 4.45Å; V78-Y80 VanDerWaalsContact CG1-CZ 3.48Å
79	Q	98.4	Very high	97.8	Very high	117 Å²	117	81.7 Å²	81.7	55%	0.547	41%	0.407	S	S	.	.			trans	-124.9	113.4	172.3	-67.6	-178.4	53	0	0	108.1	N19 R77	N19-Q79 PolarHBondContact OD1-N 3.38Å; N19-Q79 VanDerWaalsContact OD1-N 3.16Å; R77-Q79 PolarHBondContact O-N 3.42Å
80	Y	97.9	Very high	97.8	Very high	161 Å²	161	80 Å²	80	63%	0.631	40%	0.402	S	S	*	.			trans	-81.9	146	177.8	-61.9	-68.6	0	0	0	110.7	I22 L26 V78	I22-Y80 HydrophobicContact CG2-CD1 4.28Å; I22-Y80 HydrophobicContact CG2-CE1 4.01Å; L26-Y80 HydrophobicContact CD1-CD1 4.09Å; L26-Y80 HydrophobicContact CD1-CE1 4.22Å; V78-Y80 HydrophobicContact CG1-CD1 4.15Å; V78-Y80 HydrophobicContact CG1-CD2 4.3Å; V78-Y80 HydrophobicContact CG1-CE1 3.65Å; V78-Y80 HydrophobicContact CG1-CE2 3.83Å; V78-Y80 HydrophobicContact CG1-CG 4.45Å; V78-Y80 VanDerWaalsContact CG1-CZ 3.48Å
81	S	97.4	Very high	97.8	Very high	78 Å²	78	79.5 Å²	79.5	55%	0.545	40%	0.4	S	S	.	.			trans	-116.3	167.2	169.6	-56.9	0	0	0	0	109.4	N23	N23-S81 PolarHBondContact ND2-O 3.14Å; N23-S81 VanDerWaalsContact ND2-O 3.13Å
82	D	98.4	Very high	97.7	Very high	147 Å²	147	83.5 Å²	83.5	79%	0.786	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-57	139.8	174.7	-63.1	-22.9	0	0	0	110.8	N23	N23-D82 PolarHBondContact ND2-O 3.02Å; N23-D82 VanDerWaalsContact ND2-O 3.09Å
83	I	98.4	Very high	97.6	Very high	72 Å²	72	79.5 Å²	79.5	37%	0.369	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-96.1	124	168.8	-48.5	171.9	0	0	0	106.3	L26 Q27 Y30	L26-I83 HydrophobicContact CB-CD1 3.79Å; L26-I83 HydrophobicContact CB-CG1 4.23Å; L26-I83 HydrophobicContact CD1-CD1 4.4Å; Q27-I83 HydrophobicContact CB-CG2 4.33Å; Y30-I83 HydrophobicContact CD1-CB 4.4Å; Y30-I83 HydrophobicContact CD1-CG2 3.62Å; Y30-I83 HydrophobicContact CG-CG2 4.26Å
84	K	97.9	Very high	97.6	Very high	162 Å²	162	72 Å²	72	70%	0.704	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-76.5	149.8	-176.6	-63.2	179.3	-178.8	173.1	0	109.7	Q27 Y30	Q27-K84 PolarHBondContact NE2-O 3.29Å; Q27-K84 PolarHBondContact OE1-O 3.46Å; Y30-K84 WeakPolarHBondContact CD1-O 3.06Å
85	C	97.7	Very high	97.6	Very high	95 Å²	95	73.6 Å²	73.6	64%	0.642	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-57	135.3	171	-173.8	0	0	0	0	109.8	T87	C85-T87 PolarHBondContact O-N 3.18Å
86	P	97.6	Very high	97.6	Very high	13 Å²	13	75.2 Å²	75.2	8%	0.084	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-54.3	133.2	172.7	-27.4	36.1	0	0	0	110.6	Y30 D31 A34 T89	Y30-P86 HydrophobicContact CD1-CG 4.13Å; Y30-P86 HydrophobicContact CD2-CG 4.11Å; Y30-P86 HydrophobicContact CE1-CG 4.34Å; Y30-P86 HydrophobicContact CE2-CG 4.3Å; Y30-P86 HydrophobicContact CG-CG 4.05Å; D31-P86 VanDerWaalsContact OD1-CA 3.3Å; D31-P86 WeakPolarHBondContact OD1-CA 3.38Å; D31-P86 VanDerWaalsContact OD1-CB 3.3Å; D31-P86 WeakPolarHBondContact OD1-CB 3.4Å; D31-P86 WeakPolarHBondContact OD1-CG 3.41Å; A34-P86 HydrophobicContact CB-CB 3.88Å; A34-P86 HydrophobicContact CB-CG 4Å; P86-T89 HydrophobicContact CB-CG2 4.31Å
87	T	93.4	Very high	97.6	Very high	147 Å²	147	75.2 Å²	75.2	90%	0.902	39%	0.391	S	S	*	.	S	Bend	trans	-87.2	-18.5	-177.1	57.7	0	0	0	0	113.2	C85	C85-T87 PolarHBondContact O-N 3.18Å
88	K	96.3	Very high	97.6	Very high	64 Å²	64	69.8 Å²	69.8	28%	0.278	37%	0.371	S	S	.	.			trans	-124.4	107.9	178.4	-169.9	167.6	-177.1	177.3	0	109.7	F91 D96 T100	K88-F91 HydrophobicContact CD-CD1 4.32Å; K88-F91 HydrophobicContact CD-CE1 3.81Å; K88-F91 HydrophobicContact CD-CZ 4.42Å; K88-F91 HydrophobicContact CG-CD1 4.48Å; K88-F91 HydrophobicContact CG-CE1 3.89Å; K88-F91 HydrophobicContact CG-CZ 4.02Å; K88-D96 IonicContact NZ-OD1 2.63Å; K88-D96 PolarHBondContact NZ-OD1 3.46Å; K88-D96 IonicContact NZ-OD2 3.54Å; K88-T100 HydrophobicContact CD-CG2 3.87Å; K88-T100 PolarHBondContact NZ-OG1 3.23Å
89	T	96.8	Very high	97.6	Very high	70 Å²	70	72.3 Å²	72.3	43%	0.429	38%	0.383	S	S	.	.			trans	-120.1	2.4	-178	61.1	0	0	0	0	112.6	A34 Y38 P86	A34-T89 HydrophobicContact CB-CG2 4.23Å; Y38-T89 WeakPolarHBondContact CD2-O 3.45Å; P86-T89 HydrophobicContact CB-CG2 4.31Å
90	E	98.1	Very high	97.6	Very high	104 Å²	104	68.1 Å²	68.1	49%	0.486	37%	0.366	S	S	.	.			trans	-134.6	138	-177.4	-64.9	-74.3	165.4	0	0	108	Y38 R41	Y38-E90 VanDerWaalsContact CE2-OE2 3.23Å; Y38-E90 WeakPolarHBondContact CE2-OE2 3.28Å; R41-E90 IonicContact CZ-OE1 2.78Å; R41-E90 VanDerWaalsContact NH1-CD 3.34Å; R41-E90 IonicContact NH1-OE1 3.38Å; R41-E90 PolarHBondContact NH1-OE1 2.68Å; R41-E90 IonicContact NH1-OE2 3.54Å; R41-E90 PolarHBondContact NH1-OE2 2.91Å; R41-E90 VanDerWaalsContact NH1-OE2 3.16Å
91	F	98.1	Very high	97.7	Very high	7 Å²	7	60.4 Å²	60.4	3%	0.031	34%	0.336	C	S	.	.			trans	-132.3	131.4	-176.2	-60.5	-89.2	0	0	0	112	F35 Y38 F39 K88 S93 A97 T100	F35-F91 HydrophobicContact CB-CE2 4.46Å; F35-F91 HydrophobicContact CD1-CE1 4.4Å; F35-F91 AromaticContact CD1-CE2 3.95Å; F35-F91 HydrophobicContact CD1-CE2 3.95Å; F35-F91 AromaticContact CD1-CZ 3.4Å; F35-F91 HydrophobicContact CD1-CZ 3.4Å; F35-F91 VanDerWaalsContact CD1-CZ 3.4Å; F35-F91 HydrophobicContact CD2-CE1 4.16Å; F35-F91 HydrophobicContact CD2-CE2 4.36Å; F35-F91 AromaticContact CD2-CZ 3.76Å; F35-F91 HydrophobicContact CD2-CZ 3.76Å; F35-F91 HydrophobicContact CE1-CE1 4.11Å; F35-F91 HydrophobicContact CE1-CE2 4.38Å; F35-F91 AromaticContact CE1-CZ 3.42Å; F35-F91 HydrophobicContact CE1-CZ 3.42Å; F35-F91 VanDerWaalsContact CE1-CZ 3.42Å; F35-F91 AromaticContact CE2-CE1 3.8Å; F35-F91 HydrophobicContact CE2-CE1 3.8Å; F35-F91 AromaticContact CE2-CZ 3.73Å; F35-F91 HydrophobicContact CE2-CZ 3.73Å; F35-F91 HydrophobicContact CG-CE1 4.46Å; F35-F91 AromaticContact CG-CE2 3.97Å; F35-F91 HydrophobicContact CG-CE2 3.97Å; F35-F91 AromaticContact CG-CZ 3.62Å; F35-F91 HydrophobicContact CG-CZ 3.62Å; F35-F91 AromaticContact CZ-CE1 3.79Å; F35-F91 HydrophobicContact CZ-CE1 3.79Å; F35-F91 AromaticContact CZ-CZ 3.57Å; F35-F91 HydrophobicContact CZ-CZ 3.57Å; Y38-F91 HydrophobicContact CD1-CB 4.13Å; Y38-F91 AromaticContact CD1-CD2 3.45Å; Y38-F91 HydrophobicContact CD1-CD2 3.45Å; Y38-F91 VanDerWaalsContact CD1-CD2 3.45Å; Y38-F91 HydrophobicContact CD1-CE2 4.35Å; Y38-F91 HydrophobicContact CD1-CG 4.24Å; Y38-F91 HydrophobicContact CD2-CD2 4.44Å; Y38-F91 HydrophobicContact CE1-CB 3.63Å; Y38-F91 AromaticContact CE1-CD2 3.86Å; Y38-F91 HydrophobicContact CE1-CD2 3.86Å; Y38-F91 HydrophobicContact CE1-CG 4.24Å; Y38-F91 AromaticContact CG-CD2 3.76Å; Y38-F91 HydrophobicContact CG-CD2 3.76Å; Y38-F91 HydrophobicContact CG-CE2 4.38Å; Y38-F91 PolarHBondContact OH-O 2.68Å; F39-F91 HydrophobicContact CE2-CD2 4.47Å; F39-F91 HydrophobicContact CZ-CB 4.42Å; K88-F91 HydrophobicContact CD-CD1 4.32Å; K88-F91 HydrophobicContact CD-CE1 3.81Å; K88-F91 HydrophobicContact CD-CZ 4.42Å; K88-F91 HydrophobicContact CG-CD1 4.48Å; K88-F91 HydrophobicContact CG-CE1 3.89Å; K88-F91 HydrophobicContact CG-CZ 4.02Å; F91-S93 VanDerWaalsContact C-N 3.27Å; F91-S93 PolarHBondContact O-N 3.26Å; F91-A97 HydrophobicContact CB-CB 4.46Å; F91-A97 VanDerWaalsContact CD1-CA 3.48Å; F91-A97 HydrophobicContact CD1-CB 3.67Å; F91-A97 HydrophobicContact CE1-CB 4.08Å; F91-A97 HydrophobicContact CG-CB 4.03Å; F91-T100 HydrophobicContact CE1-CG2 4.37Å
92	S	96.4	Very high	97.7	Very high	83 Å²	83	57.3 Å²	57.3	58%	0.58	31%	0.313	S	S	*	.	S	Bend	trans	-78.3	-9.7	-177.6	62.8	0	0	0	0	115	D96 K158	S92-D96 PolarHBondContact N-OD2 3.31Å; S92-D96 WeakPolarHBondContact OG-CB 3.28Å; S92-D96 PolarHBondContact OG-OD2 3.24Å; S92-K158 PolarHBondContact O-NZ 3.48Å
93	S	97.6	Very high	97.7	Very high	11 Å²	11	52.3 Å²	52.3	8%	0.077	30%	0.296	C	S	.	.	S	Bend	trans	-174.2	169	179.1	41.2	0	0	0	0	110.9	F91 E95 D96 A97 E162	F91-S93 VanDerWaalsContact C-N 3.27Å; F91-S93 PolarHBondContact O-N 3.26Å; S93-E95 PolarHBondContact O-N 3.43Å; S93-D96 WeakPolarHBondContact O-CB 3.28Å; S93-D96 PolarHBondContact O-N 2.95Å; S93-D96 PolarHBondContact OG-N 2.87Å; S93-A97 PolarHBondContact O-N 3.33Å; S93-E162 WeakPolarHBondContact CA-OE1 3.47Å; S93-E162 WeakPolarHBondContact CB-OE1 3.33Å
94	L	98.2	Very high	97.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61	-36.5	165.2	-74.5	172.6	0	0	0	111.3	F39 F46 A49 D96 A97 M98 T153 E162 F165 D166	F39-L94 HydrophobicContact CD1-CD2 4.16Å; F39-L94 HydrophobicContact CE1-CD2 3.49Å; F39-L94 VanDerWaalsContact CE1-CD2 3.49Å; F39-L94 HydrophobicContact CE1-CG 4.31Å; F39-L94 HydrophobicContact CZ-CD2 3.72Å; F46-L94 HydrophobicContact CD1-CD1 4.21Å; F46-L94 HydrophobicContact CD2-CD2 4.42Å; F46-L94 HydrophobicContact CD2-CG 4.33Å; F46-L94 HydrophobicContact CE1-CD1 4.26Å; F46-L94 HydrophobicContact CE2-CG 4.41Å; F46-L94 HydrophobicContact CG-CD1 4.39Å; F46-L94 HydrophobicContact CG-CD2 4.46Å; F46-L94 HydrophobicContact CZ-CD1 4.48Å; A49-L94 HydrophobicContact CB-CD2 3.62Å; L94-D96 VanDerWaalsContact C-N 3.27Å; L94-D96 PolarHBondContact O-N 3.08Å; L94-A97 PolarHBondContact O-N 3.2Å; L94-M98 VanDerWaalsContact O-CG 3.32Å; L94-M98 WeakPolarHBondContact O-CG 3.31Å; L94-M98 PolarHBondContact O-N 2.63Å; L94-T153 HydrophobicContact CB-CG2 3.99Å; L94-E162 HydrophobicContact CB-CG 4.26Å; L94-E162 HydrophobicContact CD1-CB 3.82Å; L94-E162 HydrophobicContact CD1-CG 4.21Å; L94-E162 WeakPolarHBondContact CD1-O 3.42Å; L94-E162 HydrophobicContact CG-CB 4.45Å; L94-E162 HydrophobicContact CG-CG 4.45Å; L94-E162 PolarHBondContact N-OE1 3.23Å; L94-F165 HydrophobicContact CD1-CD1 3.96Å; L94-D166 HydrophobicContact CD1-CB 4.43Å
95	E	98.3	Very high	97.8	Very high	65 Å²	65	43.1 Å²	43.1	30%	0.304	25%	0.254	S	S	.	.	H	α-helix	trans	-55.1	-44.5	173	-177.4	-170.7	165.5	0	0	111.7	S93 A97 M98 N99 L150 T153 Q154	S93-E95 PolarHBondContact O-N 3.43Å; E95-A97 PolarHBondContact O-N 2.92Å; E95-M98 PolarHBondContact O-N 2.95Å; E95-N99 WeakPolarHBondContact O-CB 3.44Å; E95-N99 PolarHBondContact O-N 3Å; E95-L150 HydrophobicContact CG-CD1 3.73Å; E95-T153 WeakPolarHBondContact CA-OG1 3.47Å; E95-Q154 HydrophobicContact CG-CG 3.79Å; E95-Q154 VanDerWaalsContact OE1-CG 3.23Å; E95-Q154 WeakPolarHBondContact OE1-CG 3.39Å; E95-Q154 PolarHBondContact OE1-NE2 3.04Å
96	D	98.4	Very high	97.8	Very high	35 Å²	35	43.8 Å²	43.8	19%	0.187	25%	0.246	C	C	.	.	H	α-helix	trans	-64.7	-40.6	-179.6	-173.1	20.4	0	0	0	111.6	K88 S92 S93 L94 T100	K88-D96 IonicContact NZ-OD1 2.63Å; K88-D96 PolarHBondContact NZ-OD1 3.46Å; K88-D96 IonicContact NZ-OD2 3.54Å; S92-D96 PolarHBondContact N-OD2 3.31Å; S92-D96 WeakPolarHBondContact OG-CB 3.28Å; S92-D96 PolarHBondContact OG-OD2 3.24Å; S93-D96 WeakPolarHBondContact O-CB 3.28Å; S93-D96 PolarHBondContact O-N 2.95Å; S93-D96 PolarHBondContact OG-N 2.87Å; L94-D96 VanDerWaalsContact C-N 3.27Å; L94-D96 PolarHBondContact O-N 3.08Å; D96-T100 WeakPolarHBondContact O-CB 3.45Å; D96-T100 PolarHBondContact O-N 3.08Å; D96-T100 PolarHBondContact O-OG1 2.96Å
97	A	98.2	Very high	97.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.2	-46.4	174.5	0	0	0	0	0	112.3	F35 F39 F53 F91 S93 L94 E95 N99 T100 A101	F35-A97 HydrophobicContact CD2-CB 4.38Å; F35-A97 HydrophobicContact CE2-CB 4.48Å; F39-A97 HydrophobicContact CE2-CB 3.59Å; F39-A97 HydrophobicContact CZ-CB 3.45Å; F39-A97 VanDerWaalsContact CZ-CB 3.45Å; F53-A97 HydrophobicContact CE2-CB 4.28Å; F53-A97 HydrophobicContact CZ-CB 4.14Å; F91-A97 HydrophobicContact CB-CB 4.46Å; F91-A97 VanDerWaalsContact CD1-CA 3.48Å; F91-A97 HydrophobicContact CD1-CB 3.67Å; F91-A97 HydrophobicContact CE1-CB 4.08Å; F91-A97 HydrophobicContact CG-CB 4.03Å; S93-A97 PolarHBondContact O-N 3.33Å; L94-A97 PolarHBondContact O-N 3.2Å; E95-A97 PolarHBondContact O-N 2.92Å; A97-N99 VanDerWaalsContact C-N 3.34Å; A97-N99 PolarHBondContact O-N 3.13Å; A97-T100 WeakPolarHBondContact O-CB 3.4Å; A97-T100 PolarHBondContact O-N 2.9Å; A97-T100 VanDerWaalsContact O-N 3.12Å; A97-A101 WeakPolarHBondContact O-CB 3.5Å; A97-A101 PolarHBondContact O-N 2.85Å
98	M	98.3	Very high	98.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.3	-39.5	178.5	-65.2	-53.2	174.6	0	0	112.1	F53 L94 E95 T100 L102 F146 Y149 L150 T153 F165 L170	F53-M98 HydrophobicContact CE2-CE 4.45Å; F53-M98 HydrophobicContact CZ-CE 4.01Å; F53-M98 HydrophobicContact CZ-SD 4.01Å; L94-M98 VanDerWaalsContact O-CG 3.32Å; L94-M98 WeakPolarHBondContact O-CG 3.31Å; L94-M98 PolarHBondContact O-N 2.63Å; E95-M98 PolarHBondContact O-N 2.95Å; M98-T100 VanDerWaalsContact C-N 3.32Å; M98-T100 PolarHBondContact O-N 3.36Å; M98-L102 VanDerWaalsContact O-CB 3.29Å; M98-L102 WeakPolarHBondContact O-CB 3.1Å; M98-L102 PolarHBondContact O-N 3.07Å; M98-F146 HydrophobicContact SD-CD1 3.8Å; M98-F146 HydrophobicContact SD-CE1 3.87Å; M98-Y149 HydrophobicContact CE-CD2 4.07Å; M98-Y149 HydrophobicContact SD-CD2 4.02Å; M98-Y149 HydrophobicContact SD-CG 4.43Å; M98-L150 HydrophobicContact CB-CB 4.33Å; M98-T153 HydrophobicContact CG-CG2 4.22Å; M98-F165 HydrophobicContact CE-CE1 3.75Å; M98-F165 HydrophobicContact CE-CZ 4.13Å; M98-L170 HydrophobicContact CE-CD1 4.26Å; M98-L170 HydrophobicContact CE-CD2 4.06Å
99	N	98.6	Very high	98.2	Very high	87 Å²	87	37.4 Å²	37.4	47%	0.465	22%	0.219	S	C	.	.	H	α-helix	trans	-65.4	-37.1	174.4	-174.2	57.1	0	0	0	112.1	E95 A97 G103 L150	E95-N99 WeakPolarHBondContact O-CB 3.44Å; E95-N99 PolarHBondContact O-N 3Å; A97-N99 VanDerWaalsContact C-N 3.34Å; A97-N99 PolarHBondContact O-N 3.13Å; N99-G103 PolarHBondContact O-N 2.89Å; N99-L150 HydrophobicContact CB-CD1 3.78Å; N99-L150 HydrophobicContact CB-CD2 4.15Å
100	T	98.5	Very high	98.3	Very high	29 Å²	29	40.2 Å²	40.2	18%	0.178	23%	0.226	C	C	.	.	H	α-helix	trans	-67.9	-48.8	176.8	-52.6	0	0	0	0	110.9	F35 K88 F91 D96 A97 M98 L102 G103 M104	F35-T100 HydrophobicContact CE1-CG2 4.48Å; F35-T100 HydrophobicContact CE2-CG2 4.38Å; F35-T100 HydrophobicContact CZ-CG2 3.61Å; K88-T100 HydrophobicContact CD-CG2 3.87Å; K88-T100 PolarHBondContact NZ-OG1 3.23Å; F91-T100 HydrophobicContact CE1-CG2 4.37Å; D96-T100 WeakPolarHBondContact O-CB 3.45Å; D96-T100 PolarHBondContact O-N 3.08Å; D96-T100 PolarHBondContact O-OG1 2.96Å; A97-T100 WeakPolarHBondContact O-CB 3.4Å; A97-T100 PolarHBondContact O-N 2.9Å; A97-T100 VanDerWaalsContact O-N 3.12Å; M98-T100 VanDerWaalsContact C-N 3.32Å; M98-T100 PolarHBondContact O-N 3.36Å; T100-L102 PolarHBondContact O-N 3.11Å; T100-G103 WeakPolarHBondContact O-CA 3.21Å; T100-G103 PolarHBondContact O-N 3.15Å; T100-M104 HydrophobicContact CG2-SD 4.33Å; T100-M104 WeakPolarHBondContact O-CG 3.39Å; T100-M104 PolarHBondContact O-N 3.28Å
101	A	98.4	Very high	98.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.2	-46.6	177.2	0	0	0	0	0	111.4	Y32 F35 F53 A97 G103 M104 E105 F146	Y32-A101 HydrophobicContact CE1-CB 3.87Å; F35-A101 HydrophobicContact CE2-CB 4.14Å; F53-A101 HydrophobicContact CE1-CB 4.21Å; A97-A101 WeakPolarHBondContact O-CB 3.5Å; A97-A101 PolarHBondContact O-N 2.85Å; A101-G103 PolarHBondContact O-N 3.37Å; A101-M104 WeakPolarHBondContact O-CA 3.13Å; A101-M104 WeakPolarHBondContact O-CB 3.38Å; A101-M104 PolarHBondContact O-N 2.84Å; A101-E105 WeakPolarHBondContact O-CG 3.46Å; A101-E105 PolarHBondContact O-N 3.1Å; A101-F146 HydrophobicContact CB-CD1 3.57Å; A101-F146 HydrophobicContact CB-CE1 3.31Å; A101-F146 HydrophobicContact CB-CE2 4.4Å; A101-F146 HydrophobicContact CB-CG 4.23Å; A101-F146 HydrophobicContact CB-CZ 3.76Å
102	L	98.7	Very high	98.3	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.068	21%	0.206	C	C	.	.	H	α-helix	trans	-56.1	-37.5	174.2	-178.2	59.6	0	0	0	112.8	M98 T100 K106 I143 F146 A147 L150	M98-L102 VanDerWaalsContact O-CB 3.29Å; M98-L102 WeakPolarHBondContact O-CB 3.1Å; M98-L102 PolarHBondContact O-N 3.07Å; T100-L102 PolarHBondContact O-N 3.11Å; L102-K106 HydrophobicContact CD1-CD 4.46Å; L102-K106 HydrophobicContact CG-CD 4.44Å; L102-K106 WeakPolarHBondContact O-CB 3.22Å; L102-K106 VanDerWaalsContact O-CG 3.31Å; L102-K106 WeakPolarHBondContact O-CG 3.38Å; L102-K106 PolarHBondContact O-N 2.99Å; L102-I143 HydrophobicContact CD1-CG2 4.03Å; L102-I143 WeakPolarHBondContact CD1-O 3.31Å; L102-F146 HydrophobicContact CB-CB 4.02Å; L102-F146 HydrophobicContact CD1-CB 3.98Å; L102-A147 HydrophobicContact CD1-CB 4.28Å; L102-A147 HydrophobicContact CD2-CB 4.31Å; L102-L150 HydrophobicContact CD2-CD2 3.85Å
103	G	98.5	Very high	98.4	Very high	42 Å²	42	36.3 Å²	36.3	43%	0.433	20%	0.202	S	C	.	.	H	α-helix	trans	-66.8	-39.3	174.5	0	0	0	0	0	112.8	N99 T100 A101 A107	N99-G103 PolarHBondContact O-N 2.89Å; T100-G103 WeakPolarHBondContact O-CA 3.21Å; T100-G103 PolarHBondContact O-N 3.15Å; A101-G103 PolarHBondContact O-N 3.37Å; G103-A107 PolarHBondContact O-N 3.24Å; G103-A107 VanDerWaalsContact O-N 3.16Å
104	M	98.3	Very high	98.5	Very high	30 Å²	30	39.3 Å²	39.3	15%	0.148	22%	0.215	C	C	.	.	H	α-helix	trans	-64.4	-52.2	175.5	-67.7	167	53.8	0	0	111.1	D31 Y32 F35 T100 A101 K106 A107 V108	D31-M104 HydrophobicContact CB-CE 3.45Å; D31-M104 VanDerWaalsContact CB-CE 3.45Å; D31-M104 HydrophobicContact CB-SD 4.29Å; Y32-M104 HydrophobicContact CD1-CE 4.33Å; Y32-M104 HydrophobicContact CD2-CE 4.22Å; Y32-M104 HydrophobicContact CE1-CE 4.15Å; Y32-M104 HydrophobicContact CE2-CE 4.06Å; Y32-M104 HydrophobicContact CG-CE 4.35Å; F35-M104 HydrophobicContact CE1-SD 3.89Å; F35-M104 HydrophobicContact CE2-SD 4.43Å; F35-M104 HydrophobicContact CZ-SD 3.5Å; F35-M104 VanDerWaalsContact CZ-SD 3.5Å; T100-M104 HydrophobicContact CG2-SD 4.33Å; T100-M104 WeakPolarHBondContact O-CG 3.39Å; T100-M104 PolarHBondContact O-N 3.28Å; A101-M104 WeakPolarHBondContact O-CA 3.13Å; A101-M104 WeakPolarHBondContact O-CB 3.38Å; A101-M104 PolarHBondContact O-N 2.84Å; M104-K106 VanDerWaalsContact C-N 3.29Å; M104-K106 PolarHBondContact O-N 2.99Å; M104-A107 CarbonylContact O-C 3.54Å; M104-A107 WeakPolarHBondContact O-CA 3.44Å; M104-A107 WeakPolarHBondContact O-CB 3.27Å; M104-A107 PolarHBondContact O-N 3.21Å; M104-V108 PolarHBondContact O-N 3.42Å
105	E	98.6	Very high	98.5	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-56.4	-42.5	178.8	-66.4	-51	148.3	0	0	112.3	Y32 A101 A107 V108 S109 Q139 I143 F146	Y32-E105 WeakPolarHBondContact CE2-OE1 3.45Å; Y32-E105 PolarHBondContact OH-OE1 2.93Å; A101-E105 WeakPolarHBondContact O-CG 3.46Å; A101-E105 PolarHBondContact O-N 3.1Å; E105-A107 VanDerWaalsContact C-N 3.28Å; E105-A107 PolarHBondContact O-N 3.28Å; E105-V108 PolarHBondContact O-N 3.17Å; E105-S109 VanDerWaalsContact O-CB 3.27Å; E105-S109 WeakPolarHBondContact O-CB 3.43Å; E105-S109 PolarHBondContact O-N 2.87Å; E105-Q139 PolarHBondContact O-NE2 2.84Å; E105-Q139 PolarHBondContact OE2-NE2 3.34Å; E105-I143 HydrophobicContact CB-CG1 3.88Å; E105-F146 HydrophobicContact CG-CD2 3.58Å; E105-F146 HydrophobicContact CG-CE2 3.77Å
106	K	98.7	Very high	98.5	Very high	110 Å²	110	38.3 Å²	38.3	48%	0.478	21%	0.21	S	C	.	.	H	α-helix	trans	-64.4	-32.9	174.7	-75.7	176.1	177.4	174.3	0	112.8	L102 M104 K110 I143	L102-K106 HydrophobicContact CD1-CD 4.46Å; L102-K106 HydrophobicContact CG-CD 4.44Å; L102-K106 WeakPolarHBondContact O-CB 3.22Å; L102-K106 VanDerWaalsContact O-CG 3.31Å; L102-K106 WeakPolarHBondContact O-CG 3.38Å; L102-K106 PolarHBondContact O-N 2.99Å; M104-K106 VanDerWaalsContact C-N 3.29Å; M104-K106 PolarHBondContact O-N 2.99Å; K106-K110 WeakPolarHBondContact O-CB 3.45Å; K106-K110 PolarHBondContact O-N 3.42Å; K106-I143 HydrophobicContact CG-CD1 4.03Å; K106-I143 HydrophobicContact CG-CG1 4.18Å; K106-I143 HydrophobicContact CG-CG2 4.38Å
107	A	98.4	Very high	98.5	Very high	61 Å²	61	43.1 Å²	43.1	50%	0.504	23%	0.232	S	C	.	.	H	α-helix	trans	-73.3	-41.4	176.7	0	0	0	0	0	111.8	G103 M104 E105 K110 S111	G103-A107 PolarHBondContact O-N 3.24Å; G103-A107 VanDerWaalsContact O-N 3.16Å; M104-A107 CarbonylContact O-C 3.54Å; M104-A107 WeakPolarHBondContact O-CA 3.44Å; M104-A107 WeakPolarHBondContact O-CB 3.27Å; M104-A107 PolarHBondContact O-N 3.21Å; E105-A107 VanDerWaalsContact C-N 3.28Å; E105-A107 PolarHBondContact O-N 3.28Å; A107-K110 PolarHBondContact O-N 2.87Å; A107-S111 PolarHBondContact O-N 3.45Å
108	V	98.5	Very high	98.6	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-50.1	173.1	177	0	0	0	0	110	V24 E25 A28 M104 E105 K110 S111 L112 Q139	V24-V108 HydrophobicContact CG1-CG2 4.01Å; E25-V108 VanDerWaalsContact OE2-CG1 3.27Å; E25-V108 WeakPolarHBondContact OE2-CG1 3.46Å; A28-V108 HydrophobicContact CB-CG2 4.3Å; M104-V108 PolarHBondContact O-N 3.42Å; E105-V108 PolarHBondContact O-N 3.17Å; V108-K110 VanDerWaalsContact C-N 3.32Å; V108-K110 PolarHBondContact O-N 3.34Å; V108-S111 CarbonylContact O-C 3.58Å; V108-S111 WeakPolarHBondContact O-CA 3.47Å; V108-S111 WeakPolarHBondContact O-CB 3.33Å; V108-S111 PolarHBondContact O-N 3.39Å; V108-L112 HydrophobicContact CG1-CD1 4.16Å; V108-L112 PolarHBondContact O-N 2.97Å; V108-Q139 VanDerWaalsContact CG1-OE1 3.25Å
109	S	98.4	Very high	98.6	Very high	21 Å²	21	44.5 Å²	44.5	15%	0.147	24%	0.24	C	C	.	.	H	α-helix	trans	-51.8	-47.8	174.4	-171.7	0	0	0	0	113	E105 S111 L112 L113	E105-S109 VanDerWaalsContact O-CB 3.27Å; E105-S109 WeakPolarHBondContact O-CB 3.43Å; E105-S109 PolarHBondContact O-N 2.87Å; S109-S111 VanDerWaalsContact C-N 3.3Å; S109-S111 PolarHBondContact O-N 3.08Å; S109-L112 WeakPolarHBondContact O-CB 3.38Å; S109-L112 PolarHBondContact O-N 2.96Å; S109-L113 WeakPolarHBondContact O-CG 3.19Å; S109-L113 PolarHBondContact O-N 2.7Å
110	K	98.7	Very high	98.6	Very high	130 Å²	130	43.2 Å²	43.2	57%	0.565	24%	0.238	S	C	*	.	H	α-helix	trans	-60.5	-41.6	176.6	-176.2	-177	173.3	-172.1	0	111.7	K106 A107 V108 L112 L113 E114	K106-K110 WeakPolarHBondContact O-CB 3.45Å; K106-K110 PolarHBondContact O-N 3.42Å; A107-K110 PolarHBondContact O-N 2.87Å; V108-K110 VanDerWaalsContact C-N 3.32Å; V108-K110 PolarHBondContact O-N 3.34Å; K110-L112 VanDerWaalsContact C-N 3.34Å; K110-L113 PolarHBondContact O-N 3.42Å; K110-E114 WeakPolarHBondContact CE-OE1 3.42Å; K110-E114 WeakPolarHBondContact O-CG 3.1Å; K110-E114 PolarHBondContact O-N 3.36Å
111	S	98.6	Very high	98.6	Very high	13 Å²	13	48.3 Å²	48.3	9%	0.091	26%	0.258	C	S	.	.	H	α-helix	trans	-65.4	-36.7	177.6	-168.5	0	0	0	0	112.2	Q21 A107 V108 S109 E114 L115	Q21-S111 VanDerWaalsContact OE1-CB 3.22Å; Q21-S111 PolarHBondContact OE1-OG 2.9Å; A107-S111 PolarHBondContact O-N 3.45Å; V108-S111 CarbonylContact O-C 3.58Å; V108-S111 WeakPolarHBondContact O-CA 3.47Å; V108-S111 WeakPolarHBondContact O-CB 3.33Å; V108-S111 PolarHBondContact O-N 3.39Å; S109-S111 VanDerWaalsContact C-N 3.3Å; S109-S111 PolarHBondContact O-N 3.08Å; S111-E114 PolarHBondContact O-N 3.13Å; S111-L115 PolarHBondContact O-N 3.42Å
112	L	98.7	Very high	98.6	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-65.2	-40.9	173.2	-71.7	165.6	0	0	0	112.2	Q21 V108 S109 K110 L115 H116 I131 F135 L136 Q139	Q21-L112 HydrophobicContact CG-CD2 3.94Å; V108-L112 HydrophobicContact CG1-CD1 4.16Å; V108-L112 PolarHBondContact O-N 2.97Å; S109-L112 WeakPolarHBondContact O-CB 3.38Å; S109-L112 PolarHBondContact O-N 2.96Å; K110-L112 VanDerWaalsContact C-N 3.34Å; L112-L115 WeakPolarHBondContact O-CB 3.34Å; L112-L115 PolarHBondContact O-N 2.53Å; L112-H116 WeakPolarHBondContact O-CB 3.42Å; L112-H116 PolarHBondContact O-N 3.26Å; L112-I131 HydrophobicContact CB-CG2 4.45Å; L112-I131 HydrophobicContact CD2-CG2 4.33Å; L112-F135 HydrophobicContact CD1-CB 3.79Å; L112-F135 HydrophobicContact CD2-CB 3.92Å; L112-F135 HydrophobicContact CD2-CD1 4.31Å; L112-F135 HydrophobicContact CD2-CG 4.08Å; L112-F135 HydrophobicContact CG-CB 4.48Å; L112-L136 HydrophobicContact CB-CD2 3.78Å; L112-Q139 HydrophobicContact CD1-CB 4.47Å; L112-Q139 HydrophobicContact CD1-CG 4.48Å
113	L	98.6	Very high	98.5	Very high	96 Å²	96	56.9 Å²	56.9	50%	0.503	30%	0.304	S	S	.	.	H	α-helix	trans	-63.6	-40	174.3	-67.6	172.6	0	0	0	111.8	S109 K110 L115 H116 E117 L136	S109-L113 WeakPolarHBondContact O-CG 3.19Å; S109-L113 PolarHBondContact O-N 2.7Å; K110-L113 PolarHBondContact O-N 3.42Å; L113-L115 VanDerWaalsContact C-N 3.35Å; L113-H116 PolarHBondContact O-N 3.33Å; L113-E117 PolarHBondContact O-N 2.86Å; L113-L136 HydrophobicContact CD2-CD1 4.27Å; L113-L136 HydrophobicContact CD2-CD2 3.95Å; L113-L136 HydrophobicContact CG-CD2 4.35Å
114	E	98.7	Very high	98.5	Very high	75 Å²	75	55.2 Å²	55.2	35%	0.35	29%	0.285	S	S	.	.	H	α-helix	trans	-62.2	-41	172.5	-71.2	173.5	-171.6	0	0	111.5	K20 K110 S111 E117 V118	K20-E114 IonicContact NZ-OE2 2.87Å; K20-E114 PolarHBondContact NZ-OE2 3.16Å; K20-E114 VanDerWaalsContact NZ-OE2 3.15Å; K110-E114 WeakPolarHBondContact CE-OE1 3.42Å; K110-E114 WeakPolarHBondContact O-CG 3.1Å; K110-E114 PolarHBondContact O-N 3.36Å; S111-E114 PolarHBondContact O-N 3.13Å; E114-E117 PolarHBondContact O-N 3.09Å; E114-V118 WeakPolarHBondContact O-CG2 3.21Å; E114-V118 PolarHBondContact O-N 3.37Å; E114-V118 VanDerWaalsContact O-N 3.07Å
115	L	98.8	Very high	98.5	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-64.3	-41.3	175.2	172.7	58.7	0	0	0	111.9	A17 I18 Q21 S111 L112 L113 V118 A119 L127 I131	A17-L115 HydrophobicContact CB-CD1 3.43Å; A17-L115 VanDerWaalsContact CB-CD1 3.43Å; I18-L115 HydrophobicContact CG1-CD1 4.06Å; I18-L115 HydrophobicContact CG1-CD2 4.43Å; Q21-L115 HydrophobicContact CB-CD2 3.93Å; Q21-L115 HydrophobicContact CG-CD2 4.11Å; S111-L115 PolarHBondContact O-N 3.42Å; L112-L115 WeakPolarHBondContact O-CB 3.34Å; L112-L115 PolarHBondContact O-N 2.53Å; L113-L115 VanDerWaalsContact C-N 3.35Å; L115-V118 WeakPolarHBondContact O-CB 3.42Å; L115-V118 PolarHBondContact O-N 3.39Å; L115-A119 PolarHBondContact O-N 3.21Å; L115-L127 HydrophobicContact CD1-CD2 4.37Å; L115-I131 HydrophobicContact CD2-CD1 3.48Å; L115-I131 VanDerWaalsContact CD2-CD1 3.48Å; L115-I131 HydrophobicContact CD2-CG1 4.05Å; L115-I131 HydrophobicContact CG-CD1 4.13Å; L115-I131 HydrophobicContact CG-CG1 4.15Å
116	H	98.7	Very high	98.5	Very high	38 Å²	38	60.3 Å²	60.3	18%	0.176	33%	0.325	C	S	.	.	H	α-helix	trans	-62.7	-41.5	175	-176.5	-77	0	0	0	111.9	L112 L113 V118 A119 S120 I131 E132	L112-H116 WeakPolarHBondContact O-CB 3.42Å; L112-H116 PolarHBondContact O-N 3.26Å; L113-H116 PolarHBondContact O-N 3.33Å; H116-V118 VanDerWaalsContact C-N 3.33Å; H116-V118 PolarHBondContact O-N 3.1Å; H116-A119 WeakPolarHBondContact O-CB 3.44Å; H116-A119 PolarHBondContact O-N 3.16Å; H116-A119 VanDerWaalsContact O-N 3.14Å; H116-S120 PolarHBondContact O-N 3.17Å; H116-S120 PolarHBondContact O-OG 2.89Å; H116-I131 HydrophobicContact CB-CG2 4.26Å; H116-E132 IonicContact CD2-OE1 3.67Å; H116-E132 IonicContact CE1-OE1 2.73Å; H116-E132 IonicContact NE2-OE1 3.57Å; H116-E132 PolarHBondContact NE2-OE1 3.27Å
117	E	98.6	Very high	98.5	Very high	137 Å²	137	55 Å²	55	64%	0.64	30%	0.302	S	S	*	.	H	α-helix	trans	-60.8	-41.9	174.6	-172	-178.2	178.2	0	0	111.5	L113 E114 A119 S120 K121	L113-E117 PolarHBondContact O-N 2.86Å; E114-E117 PolarHBondContact O-N 3.09Å; E117-A119 VanDerWaalsContact C-N 3.32Å; E117-A119 PolarHBondContact O-N 3.46Å; E117-S120 PolarHBondContact O-N 2.88Å; E117-K121 WeakPolarHBondContact O-CB 3.27Å; E117-K121 PolarHBondContact O-N 2.96Å
118	V	98.7	Very high	98.5	Very high	28 Å²	28	52.7 Å²	52.7	17%	0.17	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-41.4	174.5	170.7	0	0	0	0	111.3	E13 A17 E114 L115 H116 N122	E13-V118 HydrophobicContact CB-CG1 4.32Å; E13-V118 HydrophobicContact CG-CG1 3.83Å; A17-V118 HydrophobicContact CB-CB 4.39Å; A17-V118 HydrophobicContact CB-CG1 4.06Å; A17-V118 HydrophobicContact CB-CG2 4.46Å; E114-V118 WeakPolarHBondContact O-CG2 3.21Å; E114-V118 PolarHBondContact O-N 3.37Å; E114-V118 VanDerWaalsContact O-N 3.07Å; L115-V118 WeakPolarHBondContact O-CB 3.42Å; L115-V118 PolarHBondContact O-N 3.39Å; H116-V118 VanDerWaalsContact C-N 3.33Å; H116-V118 PolarHBondContact O-N 3.1Å; V118-N122 WeakPolarHBondContact O-CB 3.44Å; V118-N122 PolarHBondContact O-N 3.44Å; V118-N122 VanDerWaalsContact O-N 3.15Å; V118-N122 PolarHBondContact O-ND2 3.05Å
119	A	98.6	Very high	98.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.6	-47.8	175.6	0	0	0	0	0	111.5	L115 H116 E117 N122 N123 D124 L127 A128	L115-A119 PolarHBondContact O-N 3.21Å; H116-A119 WeakPolarHBondContact O-CB 3.44Å; H116-A119 PolarHBondContact O-N 3.16Å; H116-A119 VanDerWaalsContact O-N 3.14Å; E117-A119 VanDerWaalsContact C-N 3.32Å; E117-A119 PolarHBondContact O-N 3.46Å; A119-N122 CarbonylContact O-C 3.59Å; A119-N122 PolarHBondContact O-N 3.24Å; A119-N123 PolarHBondContact O-N 3.21Å; A119-N123 VanDerWaalsContact O-N 3.16Å; A119-D124 PolarHBondContact O-N 3.16Å; A119-L127 HydrophobicContact CB-CB 3.93Å; A119-L127 HydrophobicContact CB-CD2 3.71Å; A119-L127 HydrophobicContact CB-CG 3.67Å; A119-A128 HydrophobicContact CB-CB 4.31Å
120	S	98.2	Very high	98.5	Very high	60 Å²	60	57.1 Å²	57.1	42%	0.42	30%	0.304	S	S	.	.	H	α-helix	trans	-61.1	-47.7	178.9	-65.8	0	0	0	0	112.1	H116 E117 N122 N123	H116-S120 PolarHBondContact O-N 3.17Å; H116-S120 PolarHBondContact O-OG 2.89Å; E117-S120 PolarHBondContact O-N 2.88Å; S120-N122 PolarHBondContact O-N 2.9Å; S120-N123 PolarHBondContact O-N 3.38Å
121	K	98.5	Very high	98.5	Very high	137 Å²	137	51 Å²	51	60%	0.596	28%	0.277	S	S	*	.	H	α-helix	trans	-58.7	-34.6	176.9	179	-173.8	167.7	-159.5	0	112.7	E13 E117 N123	E13-K121 IonicContact OE1-NZ 3.77Å; E13-K121 PolarHBondContact OE1-NZ 3.26Å; E13-K121 IonicContact OE2-NZ 3.62Å; E13-K121 PolarHBondContact OE2-NZ 3.04Å; E117-K121 WeakPolarHBondContact O-CB 3.27Å; E117-K121 PolarHBondContact O-N 2.96Å; K121-N123 VanDerWaalsContact C-N 3.33Å
122	N	98.4	Very high	98.5	Very high	53 Å²	53	54.2 Å²	54.2	28%	0.283	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	6.1	179	-76.1	-85	0	0	0	113.6	A11 E13 V118 A119 S120 D124	A11-N122 HydrophobicContact CB-CB 4.03Å; A11-N122 VanDerWaalsContact CB-OD1 3.28Å; A11-N122 WeakPolarHBondContact CB-OD1 3.48Å; E13-N122 PolarHBondContact OE2-ND2 3.3Å; V118-N122 WeakPolarHBondContact O-CB 3.44Å; V118-N122 PolarHBondContact O-N 3.44Å; V118-N122 VanDerWaalsContact O-N 3.15Å; V118-N122 PolarHBondContact O-ND2 3.05Å; A119-N122 CarbonylContact O-C 3.59Å; A119-N122 PolarHBondContact O-N 3.24Å; S120-N122 PolarHBondContact O-N 2.9Å; N122-D124 VanDerWaalsContact C-N 3.29Å; N122-D124 PolarHBondContact O-N 3.05Å
123	N	98	Very high	98.5	Very high	140 Å²	140	57.3 Å²	57.3	75%	0.749	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	44.1	-176.1	-55.2	-76.9	0	0	0	112.5	A119 S120 K121 P125	A119-N123 PolarHBondContact O-N 3.21Å; A119-N123 VanDerWaalsContact O-N 3.16Å; S120-N123 PolarHBondContact O-N 3.38Å; K121-N123 VanDerWaalsContact C-N 3.33Å; N123-P125 VanDerWaalsContact C-CD 3.45Å; N123-P125 WeakPolarHBondContact O-CD 3.3Å
124	D	98.6	Very high	98.4	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.032	31%	0.306	C	S	.	.			trans	-104.7	81.8	176.5	-165.6	-24.6	0	0	0	110.8	R74 A119 N122 A126 L127 A128	R74-D124 IonicContact CZ-OD1 3.54Å; R74-D124 IonicContact CZ-OD2 3.31Å; R74-D124 VanDerWaalsContact CZ-OD2 3.31Å; R74-D124 VanDerWaalsContact NH1-CG 3.34Å; R74-D124 IonicContact NH1-OD1 2.76Å; R74-D124 PolarHBondContact NH1-OD1 2.99Å; R74-D124 IonicContact NH1-OD2 2.68Å; R74-D124 PolarHBondContact NH1-OD2 3.14Å; R74-D124 IonicContact NH2-OD1 3.3Å; R74-D124 PolarHBondContact NH2-OD1 2.85Å; R74-D124 IonicContact NH2-OD2 2.78Å; R74-D124 PolarHBondContact NH2-OD2 2.74Å; A119-D124 PolarHBondContact O-N 3.16Å; N122-D124 VanDerWaalsContact C-N 3.29Å; N122-D124 PolarHBondContact O-N 3.05Å; D124-A126 PolarHBondContact O-N 3.01Å; D124-A126 PolarHBondContact OD1-N 3.34Å; D124-L127 HydrophobicContact CB-CB 4.12Å; D124-L127 PolarHBondContact O-N 3.09Å; D124-L127 PolarHBondContact OD1-N 3.31Å; D124-A128 PolarHBondContact O-N 2.95Å; D124-A128 VanDerWaalsContact O-N 3.08Å
125	P	98.2	Very high	98.4	Very high	99 Å²	99	53.2 Å²	53.2	64%	0.643	29%	0.29	S	S	*	.	H	α-helix	trans	-65.7	-27	-178.4	27.5	-35.9	0	0	0	112.5	N123 A128 D129	N123-P125 VanDerWaalsContact C-CD 3.45Å; N123-P125 WeakPolarHBondContact O-CD 3.3Å; P125-A128 PolarHBondContact O-N 3.01Å; P125-D129 VanDerWaalsContact O-CB 3.25Å; P125-D129 WeakPolarHBondContact O-CB 3.43Å; P125-D129 PolarHBondContact O-N 2.69Å
126	A	98.4	Very high	98.4	Very high	48 Å²	48	54 Å²	54	40%	0.397	30%	0.295	S	S	.	.	H	α-helix	trans	-72.4	-31	179	0	0	0	0	0	112.1	Y70 D124 F130	Y70-A126 PolarHBondContact OH-O 2.94Å; D124-A126 PolarHBondContact O-N 3.01Å; D124-A126 PolarHBondContact OD1-N 3.34Å; A126-F130 WeakPolarHBondContact O-CB 3.45Å; A126-F130 PolarHBondContact O-N 2.83Å
127	L	98.6	Very high	98.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-75.5	-43.5	171.2	176.8	58.7	0	0	0	110.7	C14 I18 Y70 L115 A119 D124 D129 F130 I131	C14-L127 HydrophobicContact CB-CD2 3.69Å; I18-L127 HydrophobicContact CD1-CD1 3.72Å; I18-L127 HydrophobicContact CD1-CD2 4.34Å; I18-L127 HydrophobicContact CG1-CD1 4.2Å; Y70-L127 HydrophobicContact CD1-CD1 4.34Å; Y70-L127 HydrophobicContact CE1-CD1 3.74Å; Y70-L127 WeakPolarHBondContact OH-CA 3.45Å; Y70-L127 PolarHBondContact OH-N 3.45Å; L115-L127 HydrophobicContact CD1-CD2 4.37Å; A119-L127 HydrophobicContact CB-CB 3.93Å; A119-L127 HydrophobicContact CB-CD2 3.71Å; A119-L127 HydrophobicContact CB-CG 3.67Å; D124-L127 HydrophobicContact CB-CB 4.12Å; D124-L127 PolarHBondContact O-N 3.09Å; D124-L127 PolarHBondContact OD1-N 3.31Å; L127-D129 PolarHBondContact O-N 2.94Å; L127-F130 HydrophobicContact CD1-CD1 4.18Å; L127-F130 PolarHBondContact O-N 3.17Å; L127-I131 HydrophobicContact CD1-CD1 4.2Å; L127-I131 HydrophobicContact CD1-CG1 3.97Å; L127-I131 HydrophobicContact CG-CG1 4.45Å; L127-I131 WeakPolarHBondContact O-CG1 3.3Å; L127-I131 PolarHBondContact O-N 2.98Å
128	A	98.6	Very high	98.2	Very high	11 Å²	11	54.2 Å²	54.2	9%	0.091	30%	0.295	C	S	.	.	H	α-helix	trans	-56.1	-51.2	176.9	0	0	0	0	0	111.8	A119 D124 P125 F130 I131 E132	A119-A128 HydrophobicContact CB-CB 4.31Å; D124-A128 PolarHBondContact O-N 2.95Å; D124-A128 VanDerWaalsContact O-N 3.08Å; P125-A128 PolarHBondContact O-N 3.01Å; A128-F130 VanDerWaalsContact C-N 3.33Å; A128-F130 PolarHBondContact O-N 3.39Å; A128-I131 PolarHBondContact O-N 3.22Å; A128-I131 VanDerWaalsContact O-N 3.16Å; A128-E132 WeakPolarHBondContact O-CG 3.39Å; A128-E132 PolarHBondContact O-N 2.88Å
129	D	98.5	Very high	98.2	Very high	101 Å²	101	53.3 Å²	53.3	54%	0.54	29%	0.289	S	S	.	.	H	α-helix	trans	-58.5	-41	176.7	176	75.1	0	0	0	112.6	P125 L127 E132 S133	P125-D129 VanDerWaalsContact O-CB 3.25Å; P125-D129 WeakPolarHBondContact O-CB 3.43Å; P125-D129 PolarHBondContact O-N 2.69Å; L127-D129 PolarHBondContact O-N 2.94Å; D129-E132 PolarHBondContact O-N 2.97Å; D129-S133 WeakPolarHBondContact O-CB 3.45Å; D129-S133 PolarHBondContact O-N 3.33Å; D129-S133 PolarHBondContact O-OG 3.2Å
130	F	98.6	Very high	98.1	Very high	21 Å²	21	59.1 Å²	59.1	9%	0.092	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-42.1	176.3	171.3	-110.7	0	0	0	112.4	K66 L67 Y70 A126 L127 A128 E134 F135	K66-F130 HydrophobicContact CD-CE2 4.4Å; K66-F130 HydrophobicContact CG-CE2 4.32Å; K66-F130 HydrophobicContact CG-CZ 4.25Å; L67-F130 HydrophobicContact CD2-CE1 4.03Å; Y70-F130 VanDerWaalsContact CB-CZ 3.4Å; Y70-F130 AromaticContact CD1-CD1 3.82Å; Y70-F130 HydrophobicContact CD1-CD1 3.82Å; Y70-F130 AromaticContact CD1-CE1 3.84Å; Y70-F130 HydrophobicContact CD1-CE1 3.84Å; Y70-F130 HydrophobicContact CD1-CG 4.44Å; Y70-F130 HydrophobicContact CD2-CB 4.08Å; Y70-F130 AromaticContact CD2-CD1 3.5Å; Y70-F130 HydrophobicContact CD2-CD1 3.5Å; Y70-F130 AromaticContact CD2-CD2 3.39Å; Y70-F130 HydrophobicContact CD2-CD2 3.39Å; Y70-F130 AromaticContact CD2-CE1 3.64Å; Y70-F130 HydrophobicContact CD2-CE1 3.64Å; Y70-F130 AromaticContact CD2-CE2 3.54Å; Y70-F130 HydrophobicContact CD2-CE2 3.54Å; Y70-F130 AromaticContact CD2-CG 3.36Å; Y70-F130 HydrophobicContact CD2-CG 3.36Å; Y70-F130 AromaticContact CD2-CZ 3.66Å; Y70-F130 HydrophobicContact CD2-CZ 3.66Å; Y70-F130 HydrophobicContact CE1-CD1 4.01Å; Y70-F130 HydrophobicContact CE1-CE1 4.49Å; Y70-F130 HydrophobicContact CE1-CG 4.42Å; Y70-F130 HydrophobicContact CE2-CB 3.48Å; Y70-F130 VanDerWaalsContact CE2-CB 3.48Å; Y70-F130 AromaticContact CE2-CD1 3.69Å; Y70-F130 HydrophobicContact CE2-CD1 3.69Å; Y70-F130 AromaticContact CE2-CD2 3.67Å; Y70-F130 HydrophobicContact CE2-CD2 3.67Å; Y70-F130 HydrophobicContact CE2-CE1 4.3Å; Y70-F130 HydrophobicContact CE2-CE2 4.3Å; Y70-F130 AromaticContact CE2-CG 3.31Å; Y70-F130 HydrophobicContact CE2-CG 3.31Å; Y70-F130 AromaticContact CG-CD1 3.57Å; Y70-F130 HydrophobicContact CG-CD1 3.57Å; Y70-F130 HydrophobicContact CG-CD2 4.17Å; Y70-F130 AromaticContact CG-CE1 3.37Å; Y70-F130 HydrophobicContact CG-CE1 3.37Å; Y70-F130 HydrophobicContact CG-CE2 4.02Å; Y70-F130 AromaticContact CG-CG 3.95Å; Y70-F130 HydrophobicContact CG-CG 3.95Å; Y70-F130 AromaticContact CG-CZ 3.62Å; Y70-F130 HydrophobicContact CG-CZ 3.62Å; Y70-F130 AromaticContact CZ-CD1 3.94Å; Y70-F130 AromaticContact CZ-CG 3.89Å; A126-F130 WeakPolarHBondContact O-CB 3.45Å; A126-F130 PolarHBondContact O-N 2.83Å; L127-F130 HydrophobicContact CD1-CD1 4.18Å; L127-F130 PolarHBondContact O-N 3.17Å; A128-F130 VanDerWaalsContact C-N 3.33Å; A128-F130 PolarHBondContact O-N 3.39Å; F130-E134 HydrophobicContact CD2-CB 4.28Å; F130-E134 HydrophobicContact CD2-CG 3.72Å; F130-E134 HydrophobicContact CE2-CB 4.14Å; F130-E134 HydrophobicContact CE2-CG 3.75Å; F130-E134 VanDerWaalsContact O-CB 3.28Å; F130-E134 WeakPolarHBondContact O-CB 3.2Å; F130-E134 PolarHBondContact O-N 3.06Å; F130-E134 VanDerWaalsContact O-N 3.14Å; F130-F135 HydrophobicContact CD1-CE2 4.35Å; F130-F135 AromaticContact CE1-CE2 3.68Å; F130-F135 HydrophobicContact CE1-CE2 3.68Å; F130-F135 HydrophobicContact CE1-CZ 4.4Å; F130-F135 HydrophobicContact CE2-CE2 4.12Å; F130-F135 AromaticContact CZ-CE2 3.54Å; F130-F135 HydrophobicContact CZ-CE2 3.54Å; F130-F135 HydrophobicContact CZ-CZ 4.07Å
131	I	98.7	Very high	98.1	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-68.7	-40.5	178.1	-61.8	-54.6	0	0	0	111.2	L67 L112 L115 H116 L127 A128 F135 L136	L67-I131 HydrophobicContact CD2-CD1 4.28Å; L112-I131 HydrophobicContact CB-CG2 4.45Å; L112-I131 HydrophobicContact CD2-CG2 4.33Å; L115-I131 HydrophobicContact CD2-CD1 3.48Å; L115-I131 VanDerWaalsContact CD2-CD1 3.48Å; L115-I131 HydrophobicContact CD2-CG1 4.05Å; L115-I131 HydrophobicContact CG-CD1 4.13Å; L115-I131 HydrophobicContact CG-CG1 4.15Å; H116-I131 HydrophobicContact CB-CG2 4.26Å; L127-I131 HydrophobicContact CD1-CD1 4.2Å; L127-I131 HydrophobicContact CD1-CG1 3.97Å; L127-I131 HydrophobicContact CG-CG1 4.45Å; L127-I131 WeakPolarHBondContact O-CG1 3.3Å; L127-I131 PolarHBondContact O-N 2.98Å; A128-I131 PolarHBondContact O-N 3.22Å; A128-I131 VanDerWaalsContact O-N 3.16Å; I131-F135 HydrophobicContact CD1-CD2 4.18Å; I131-F135 HydrophobicContact CD1-CE2 4.4Å; I131-F135 PolarHBondContact O-N 3.23Å; I131-L136 HydrophobicContact CG2-CD1 4.31Å; I131-L136 HydrophobicContact CG2-CD2 4.3Å; I131-L136 HydrophobicContact CG2-CG 4Å; I131-L136 PolarHBondContact O-N 2.91Å
132	E	98.3	Very high	98.1	Very high	81 Å²	81	56.4 Å²	56.4	38%	0.379	31%	0.307	S	S	.	.	I	π-helix	trans	-61.6	-54.1	176.3	-72.2	169.8	-158.9	0	0	112	H116 A128 D129 L136 H137	H116-E132 IonicContact CD2-OE1 3.67Å; H116-E132 IonicContact CE1-OE1 2.73Å; H116-E132 IonicContact NE2-OE1 3.57Å; H116-E132 PolarHBondContact NE2-OE1 3.27Å; A128-E132 WeakPolarHBondContact O-CG 3.39Å; A128-E132 PolarHBondContact O-N 2.88Å; D129-E132 PolarHBondContact O-N 2.97Å; E132-L136 HydrophobicContact CG-CD1 4.01Å; E132-H137 PolarHBondContact O-CD2 3.28Å
133	S	97.6	Very high	98.1	Very high	67 Å²	67	55.6 Å²	55.6	47%	0.469	30%	0.302	S	S	.	.	I	π-helix	trans	-72.4	-34.3	-171.8	54.6	0	0	0	0	114.3	D129	D129-S133 WeakPolarHBondContact O-CB 3.45Å; D129-S133 PolarHBondContact O-N 3.33Å; D129-S133 PolarHBondContact O-OG 3.2Å
134	E	98	Very high	98.2	Very high	80 Å²	80	54.3 Å²	54.3	37%	0.374	29%	0.29	S	S	.	.	I	π-helix	trans	-104.8	-8.7	-170.7	-63.9	-75.5	170.9	0	0	114.2	K66 F130	K66-E134 HydrophobicContact CD-CB 3.83Å; K66-E134 HydrophobicContact CD-CG 4.15Å; K66-E134 WeakPolarHBondContact CD-OE2 3.47Å; K66-E134 VanDerWaalsContact CE-OE2 3.31Å; K66-E134 WeakPolarHBondContact CE-OE2 3.49Å; K66-E134 PolarHBondContact NZ-O 3.03Å; K66-E134 VanDerWaalsContact NZ-O 3.16Å; K66-E134 IonicContact NZ-OE2 3.66Å; K66-E134 PolarHBondContact NZ-OE2 3.5Å; F130-E134 HydrophobicContact CD2-CB 4.28Å; F130-E134 HydrophobicContact CD2-CG 3.72Å; F130-E134 HydrophobicContact CE2-CB 4.14Å; F130-E134 HydrophobicContact CE2-CG 3.75Å; F130-E134 VanDerWaalsContact O-CB 3.28Å; F130-E134 WeakPolarHBondContact O-CB 3.2Å; F130-E134 PolarHBondContact O-N 3.06Å; F130-E134 VanDerWaalsContact O-N 3.14Å
135	F	98.5	Very high	98.1	Very high	5 Å²	5	56.9 Å²	56.9	2%	0.022	30%	0.302	C	S	.	.	I	π-helix	trans	-142.5	-47.4	-174.1	-57.7	-90.9	0	0	0	114.5	H63 K66 L67 L112 F130 I131 H137 E138 Q139	H63-F135 HydrophobicContact CB-CE1 3.95Å; K66-F135 HydrophobicContact CB-CZ 4.15Å; K66-F135 HydrophobicContact CD-CE1 4.43Å; K66-F135 HydrophobicContact CD-CE2 4.11Å; K66-F135 HydrophobicContact CD-CZ 3.75Å; K66-F135 HydrophobicContact CG-CZ 4.2Å; L67-F135 HydrophobicContact CD1-CE1 4.42Å; L67-F135 HydrophobicContact CD1-CZ 4.47Å; L67-F135 HydrophobicContact CD2-CE1 4.3Å; L67-F135 HydrophobicContact CD2-CE2 3.95Å; L67-F135 HydrophobicContact CD2-CZ 3.66Å; L67-F135 HydrophobicContact CG-CE1 4.05Å; L67-F135 HydrophobicContact CG-CE2 4.42Å; L67-F135 HydrophobicContact CG-CZ 3.64Å; L112-F135 HydrophobicContact CD1-CB 3.79Å; L112-F135 HydrophobicContact CD2-CB 3.92Å; L112-F135 HydrophobicContact CD2-CD1 4.31Å; L112-F135 HydrophobicContact CD2-CG 4.08Å; L112-F135 HydrophobicContact CG-CB 4.48Å; F130-F135 HydrophobicContact CD1-CE2 4.35Å; F130-F135 AromaticContact CE1-CE2 3.68Å; F130-F135 HydrophobicContact CE1-CE2 3.68Å; F130-F135 HydrophobicContact CE1-CZ 4.4Å; F130-F135 HydrophobicContact CE2-CE2 4.12Å; F130-F135 AromaticContact CZ-CE2 3.54Å; F130-F135 HydrophobicContact CZ-CE2 3.54Å; F130-F135 HydrophobicContact CZ-CZ 4.07Å; I131-F135 HydrophobicContact CD1-CD2 4.18Å; I131-F135 HydrophobicContact CD1-CE2 4.4Å; I131-F135 PolarHBondContact O-N 3.23Å; F135-H137 PolarHBondContact O-N 3.11Å; F135-E138 PolarHBondContact O-N 3.32Å; F135-Q139 WeakPolarHBondContact O-CB 3.48Å; F135-Q139 PolarHBondContact O-N 3.49Å
136	L	98	Very high	98.1	Very high	23 Å²	23	52.4 Å²	52.4	12%	0.12	27%	0.272	C	S	.	.	I	π-helix	trans	-64.4	-42.1	-170.7	-68.4	-178	0	0	0	112.9	L112 L113 I131 E132 Q139 E140	L112-L136 HydrophobicContact CB-CD2 3.78Å; L113-L136 HydrophobicContact CD2-CD1 4.27Å; L113-L136 HydrophobicContact CD2-CD2 3.95Å; L113-L136 HydrophobicContact CG-CD2 4.35Å; I131-L136 HydrophobicContact CG2-CD1 4.31Å; I131-L136 HydrophobicContact CG2-CD2 4.3Å; I131-L136 HydrophobicContact CG2-CG 4Å; I131-L136 PolarHBondContact O-N 2.91Å; E132-L136 HydrophobicContact CG-CD1 4.01Å; L136-Q139 PolarHBondContact O-N 2.79Å; L136-E140 WeakPolarHBondContact O-CG 3.42Å; L136-E140 PolarHBondContact O-N 2.67Å; L136-E140 VanDerWaalsContact O-N 3.08Å
137	H	96.5	Very high	98.2	Very high	111 Å²	111	51.6 Å²	51.6	51%	0.514	27%	0.265	S	S	.	.	H	α-helix	trans	-66.9	-44.2	176.5	-67.8	-48.4	0	0	0	112.6	E132 F135 Q139 E140 D141	E132-H137 PolarHBondContact O-CD2 3.28Å; F135-H137 PolarHBondContact O-N 3.11Å; H137-Q139 PolarHBondContact O-N 3.19Å; H137-E140 IonicContact ND1-OE2 3.85Å; H137-E140 WeakPolarHBondContact O-CB 3.3Å; H137-E140 PolarHBondContact O-N 3.47Å; H137-E140 VanDerWaalsContact O-N 3.17Å; H137-D141 PolarHBondContact O-N 2.83Å; H137-D141 VanDerWaalsContact O-N 3.1Å
138	E	97.6	Very high	98.2	Very high	67 Å²	67	54.6 Å²	54.6	31%	0.313	28%	0.281	S	S	.	.	H	α-helix	trans	-58.7	-40	176.1	-178.9	162.1	-150.5	0	0	111.2	H63 F135 D141 A142	H63-E138 IonicContact NE2-OE1 3.29Å; H63-E138 PolarHBondContact NE2-OE1 3.22Å; H63-E138 IonicContact NE2-OE2 3.42Å; F135-E138 PolarHBondContact O-N 3.32Å; E138-D141 PolarHBondContact O-N 3.12Å; E138-A142 WeakPolarHBondContact O-CB 3.29Å; E138-A142 PolarHBondContact O-N 3.43Å
139	Q	97.2	Very high	98.2	Very high	10 Å²	10	54.9 Å²	54.9	5%	0.047	28%	0.28	C	S	.	.	H	α-helix	trans	-68.9	-35.5	178	-169.7	65.5	87.5	0	0	113.3	E105 V108 L112 F135 L136 H137 D141 I143	E105-Q139 PolarHBondContact O-NE2 2.84Å; E105-Q139 PolarHBondContact OE2-NE2 3.34Å; V108-Q139 VanDerWaalsContact CG1-OE1 3.25Å; L112-Q139 HydrophobicContact CD1-CB 4.47Å; L112-Q139 HydrophobicContact CD1-CG 4.48Å; F135-Q139 WeakPolarHBondContact O-CB 3.48Å; F135-Q139 PolarHBondContact O-N 3.49Å; L136-Q139 PolarHBondContact O-N 2.79Å; H137-Q139 PolarHBondContact O-N 3.19Å; Q139-D141 VanDerWaalsContact C-N 3.34Å; Q139-I143 HydrophobicContact CG-CD1 4.13Å; Q139-I143 WeakPolarHBondContact O-CB 3.4Å; Q139-I143 WeakPolarHBondContact O-CD1 3.22Å; Q139-I143 WeakPolarHBondContact O-CG1 3.35Å; Q139-I143 PolarHBondContact O-N 3.19Å
140	E	97.9	Very high	98.2	Very high	121 Å²	121	50.9 Å²	50.9	57%	0.565	26%	0.259	S	S	*	.	H	α-helix	trans	-61.7	-43.8	172.6	-73.3	172.9	164	0	0	110.9	L136 H137 K144	L136-E140 WeakPolarHBondContact O-CG 3.42Å; L136-E140 PolarHBondContact O-N 2.67Å; L136-E140 VanDerWaalsContact O-N 3.08Å; H137-E140 IonicContact ND1-OE2 3.85Å; H137-E140 WeakPolarHBondContact O-CB 3.3Å; H137-E140 PolarHBondContact O-N 3.47Å; H137-E140 VanDerWaalsContact O-N 3.17Å; E140-K144 WeakPolarHBondContact O-CB 3.5Å; E140-K144 PolarHBondContact O-N 3.18Å
141	D	98.1	Very high	98.2	Very high	120 Å²	120	53.1 Å²	53.1	64%	0.642	27%	0.274	S	S	*	.	H	α-helix	trans	-66.1	-44.8	177.3	-73.1	-23.7	0	0	0	111.6	H137 E138 Q139 I143 K144 Q145	H137-D141 PolarHBondContact O-N 2.83Å; H137-D141 VanDerWaalsContact O-N 3.1Å; E138-D141 PolarHBondContact O-N 3.12Å; Q139-D141 VanDerWaalsContact C-N 3.34Å; D141-I143 PolarHBondContact O-N 2.94Å; D141-K144 WeakPolarHBondContact O-CB 3.43Å; D141-K144 PolarHBondContact O-N 3.06Å; D141-Q145 PolarHBondContact O-N 2.85Å
142	A	97.9	Very high	98.1	Very high	21 Å²	21	56.5 Å²	56.5	17%	0.174	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-46.3	176.5	0	0	0	0	0	111.9	E138 K144 Q145 F146	E138-A142 WeakPolarHBondContact O-CB 3.29Å; E138-A142 PolarHBondContact O-N 3.43Å; A142-K144 VanDerWaalsContact C-N 3.27Å; A142-K144 PolarHBondContact O-N 3.17Å; A142-Q145 PolarHBondContact O-N 3.16Å; A142-F146 WeakPolarHBondContact O-CD2 3.47Å; A142-F146 PolarHBondContact O-N 2.69Å
143	I	98.6	Very high	98.1	Very high	35 Å²	35	52.7 Å²	52.7	18%	0.179	27%	0.272	C	S	.	.	H	α-helix	trans	-59.8	-40.8	176.5	-72.9	168.5	0	0	0	110.7	L102 E105 K106 Q139 D141 A147	L102-I143 HydrophobicContact CD1-CG2 4.03Å; L102-I143 WeakPolarHBondContact CD1-O 3.31Å; E105-I143 HydrophobicContact CB-CG1 3.88Å; K106-I143 HydrophobicContact CG-CD1 4.03Å; K106-I143 HydrophobicContact CG-CG1 4.18Å; K106-I143 HydrophobicContact CG-CG2 4.38Å; Q139-I143 HydrophobicContact CG-CD1 4.13Å; Q139-I143 WeakPolarHBondContact O-CB 3.4Å; Q139-I143 WeakPolarHBondContact O-CD1 3.22Å; Q139-I143 WeakPolarHBondContact O-CG1 3.35Å; Q139-I143 PolarHBondContact O-N 3.19Å; D141-I143 PolarHBondContact O-N 2.94Å; I143-A147 VanDerWaalsContact O-CB 3.3Å; I143-A147 WeakPolarHBondContact O-CB 3.45Å; I143-A147 PolarHBondContact O-N 2.99Å
144	K	98.7	Very high	98.2	Very high	113 Å²	113	54.5 Å²	54.5	49%	0.491	27%	0.273	S	S	.	.	H	α-helix	trans	-64.8	-46.1	177.5	178.5	59.6	170.4	72	0	111.3	E140 D141 A142 A147 D148	E140-K144 WeakPolarHBondContact O-CB 3.5Å; E140-K144 PolarHBondContact O-N 3.18Å; D141-K144 WeakPolarHBondContact O-CB 3.43Å; D141-K144 PolarHBondContact O-N 3.06Å; A142-K144 VanDerWaalsContact C-N 3.27Å; A142-K144 PolarHBondContact O-N 3.17Å; K144-A147 PolarHBondContact O-N 2.73Å; K144-D148 IonicContact NZ-OD1 2.69Å; K144-D148 PolarHBondContact NZ-OD1 3.03Å; K144-D148 IonicContact NZ-OD2 2.59Å; K144-D148 PolarHBondContact NZ-OD2 3.45Å; K144-D148 PolarHBondContact O-N 3.26Å
145	Q	98.2	Very high	98.2	Very high	61 Å²	61	60.4 Å²	60.4	29%	0.285	29%	0.292	S	S	.	.	H	α-helix	trans	-58.6	-50.2	178.7	-174	-173.8	52.5	0	0	111.2	D141 A142 A147 D148 Y149	D141-Q145 PolarHBondContact O-N 2.85Å; A142-Q145 PolarHBondContact O-N 3.16Å; Q145-A147 VanDerWaalsContact C-N 3.32Å; Q145-A147 PolarHBondContact O-N 2.83Å; Q145-D148 WeakPolarHBondContact O-CB 3.33Å; Q145-D148 PolarHBondContact O-N 3.26Å; Q145-Y149 HydrophobicContact CG-CD2 4.13Å; Q145-Y149 HydrophobicContact CG-CE1 4.32Å; Q145-Y149 HydrophobicContact CG-CE2 3.61Å; Q145-Y149 PolarHBondContact NE2-OH 2.59Å; Q145-Y149 PolarHBondContact O-N 3.13Å
146	F	98.5	Very high	98.2	Very high	5 Å²	5	63.4 Å²	63.4	2%	0.022	31%	0.311	C	S	.	.	H	α-helix	trans	-66.7	-32	178.7	-81.2	-69.7	0	0	0	113.3	Y32 F52 F53 M98 A101 L102 E105 A142 L150	Y32-F146 HydrophobicContact CE1-CZ 4.36Å; F52-F146 AromaticContact CE1-CE1 3.68Å; F52-F146 HydrophobicContact CE1-CE1 3.68Å; F52-F146 AromaticContact CE1-CZ 3.68Å; F52-F146 HydrophobicContact CE1-CZ 3.68Å; F52-F146 HydrophobicContact CZ-CE1 4.02Å; F52-F146 AromaticContact CZ-CZ 3.84Å; F52-F146 HydrophobicContact CZ-CZ 3.84Å; F53-F146 AromaticContact CE1-CE1 3.98Å; F53-F146 HydrophobicContact CE1-CE1 3.98Å; F53-F146 HydrophobicContact CE1-CZ 4.36Å; M98-F146 HydrophobicContact SD-CD1 3.8Å; M98-F146 HydrophobicContact SD-CE1 3.87Å; A101-F146 HydrophobicContact CB-CD1 3.57Å; A101-F146 HydrophobicContact CB-CE1 3.31Å; A101-F146 HydrophobicContact CB-CE2 4.4Å; A101-F146 HydrophobicContact CB-CG 4.23Å; A101-F146 HydrophobicContact CB-CZ 3.76Å; L102-F146 HydrophobicContact CB-CB 4.02Å; L102-F146 HydrophobicContact CD1-CB 3.98Å; E105-F146 HydrophobicContact CG-CD2 3.58Å; E105-F146 HydrophobicContact CG-CE2 3.77Å; A142-F146 WeakPolarHBondContact O-CD2 3.47Å; A142-F146 PolarHBondContact O-N 2.69Å; F146-L150 VanDerWaalsContact O-CB 3.32Å; F146-L150 WeakPolarHBondContact O-CB 3.44Å; F146-L150 PolarHBondContact O-N 2.82Å
147	A	98.8	Very high	98.1	Very high	31 Å²	31	63.6 Å²	63.6	26%	0.256	32%	0.319	S	S	.	.	H	α-helix	trans	-66.8	-37.5	173.2	0	0	0	0	0	112.3	L102 I143 K144 Q145 T151	L102-A147 HydrophobicContact CD1-CB 4.28Å; L102-A147 HydrophobicContact CD2-CB 4.31Å; I143-A147 VanDerWaalsContact O-CB 3.3Å; I143-A147 WeakPolarHBondContact O-CB 3.45Å; I143-A147 PolarHBondContact O-N 2.99Å; K144-A147 PolarHBondContact O-N 2.73Å; Q145-A147 VanDerWaalsContact C-N 3.32Å; Q145-A147 PolarHBondContact O-N 2.83Å; A147-T151 PolarHBondContact O-N 2.95Å; A147-T151 VanDerWaalsContact O-N 3.08Å; A147-T151 PolarHBondContact O-OG1 3.18Å
148	D	98.7	Very high	98.1	Very high	62 Å²	62	64.5 Å²	64.5	33%	0.332	32%	0.321	S	S	.	.	H	α-helix	trans	-65.9	-48.5	173.7	-70.3	-16.6	0	0	0	110.7	K144 Q145 L150 T151 E152	K144-D148 IonicContact NZ-OD1 2.69Å; K144-D148 PolarHBondContact NZ-OD1 3.03Å; K144-D148 IonicContact NZ-OD2 2.59Å; K144-D148 PolarHBondContact NZ-OD2 3.45Å; K144-D148 PolarHBondContact O-N 3.26Å; Q145-D148 WeakPolarHBondContact O-CB 3.33Å; Q145-D148 PolarHBondContact O-N 3.26Å; D148-L150 VanDerWaalsContact C-N 3.32Å; D148-L150 PolarHBondContact O-N 3.38Å; D148-T151 CarbonylContact O-C 3.53Å; D148-T151 WeakPolarHBondContact O-CA 3.23Å; D148-T151 WeakPolarHBondContact O-CB 3.33Å; D148-T151 PolarHBondContact O-N 3.43Å; D148-E152 WeakPolarHBondContact O-CG 3.45Å; D148-E152 PolarHBondContact O-N 3.41Å
149	Y	98.5	Very high	98	Very high	17 Å²	17	63.5 Å²	63.5	7%	0.067	33%	0.329	C	S	.	.	H	α-helix	trans	-60.9	-39	177.5	-69.4	-12.4	0	0	0	112.9	F52 M98 Q145 T151 E152 T153 F165 T169 L170	F52-Y149 AromaticContact CE2-CE2 3.89Å; F52-Y149 HydrophobicContact CE2-CE2 3.89Å; F52-Y149 HydrophobicContact CZ-CD2 4.38Å; F52-Y149 AromaticContact CZ-CE2 3.83Å; F52-Y149 HydrophobicContact CZ-CE2 3.83Å; M98-Y149 HydrophobicContact CE-CD2 4.07Å; M98-Y149 HydrophobicContact SD-CD2 4.02Å; M98-Y149 HydrophobicContact SD-CG 4.43Å; Q145-Y149 HydrophobicContact CG-CD2 4.13Å; Q145-Y149 HydrophobicContact CG-CE1 4.32Å; Q145-Y149 HydrophobicContact CG-CE2 3.61Å; Q145-Y149 PolarHBondContact NE2-OH 2.59Å; Q145-Y149 PolarHBondContact O-N 3.13Å; Y149-T151 VanDerWaalsContact C-N 3.33Å; Y149-T151 PolarHBondContact O-N 2.9Å; Y149-E152 PolarHBondContact O-N 3.26Å; Y149-T153 WeakPolarHBondContact O-CB 3.23Å; Y149-T153 VanDerWaalsContact O-CG2 3.3Å; Y149-T153 WeakPolarHBondContact O-CG2 3.28Å; Y149-T153 PolarHBondContact O-N 2.88Å; Y149-T153 PolarHBondContact O-OG1 2.89Å; Y149-F165 HydrophobicContact CD1-CE2 4.1Å; Y149-F165 AromaticContact CD1-CZ 3.79Å; Y149-F165 HydrophobicContact CD1-CZ 3.79Å; Y149-F165 HydrophobicContact CD2-CZ 4.42Å; Y149-F165 HydrophobicContact CE1-CZ 4.48Å; Y149-F165 HydrophobicContact CG-CE2 4.41Å; Y149-F165 AromaticContact CG-CZ 3.75Å; Y149-F165 HydrophobicContact CG-CZ 3.75Å; Y149-T169 HydrophobicContact CD1-CG2 3.87Å; Y149-T169 HydrophobicContact CE1-CG2 3.44Å; Y149-T169 VanDerWaalsContact CE1-CG2 3.44Å; Y149-L170 HydrophobicContact CD2-CD2 4.26Å; Y149-L170 HydrophobicContact CE2-CD2 3.83Å
150	L	98.6	Very high	98	Very high	18 Å²	18	69 Å²	69	9%	0.094	36%	0.358	C	S	.	.	H	α-helix	trans	-61.3	-44.3	172.6	179.2	56.6	0	0	0	111.4	E95 M98 N99 L102 F146 D148 E152 T153 Q154	E95-L150 HydrophobicContact CG-CD1 3.73Å; M98-L150 HydrophobicContact CB-CB 4.33Å; N99-L150 HydrophobicContact CB-CD1 3.78Å; N99-L150 HydrophobicContact CB-CD2 4.15Å; L102-L150 HydrophobicContact CD2-CD2 3.85Å; F146-L150 VanDerWaalsContact O-CB 3.32Å; F146-L150 WeakPolarHBondContact O-CB 3.44Å; F146-L150 PolarHBondContact O-N 2.82Å; D148-L150 VanDerWaalsContact C-N 3.32Å; D148-L150 PolarHBondContact O-N 3.38Å; L150-E152 PolarHBondContact O-N 3.49Å; L150-T153 WeakPolarHBondContact CA-OG1 3.3Å; L150-T153 PolarHBondContact O-OG1 2.89Å; L150-Q154 HydrophobicContact CD1-CG 4.45Å; L150-Q154 WeakPolarHBondContact O-CB 3.41Å; L150-Q154 VanDerWaalsContact O-CG 3.29Å; L150-Q154 WeakPolarHBondContact O-CG 3.48Å; L150-Q154 PolarHBondContact O-N 2.82Å; L150-Q154 VanDerWaalsContact O-N 3.1Å
151	T	98.7	Very high	98	Very high	67 Å²	67	63.7 Å²	63.7	41%	0.411	34%	0.336	S	S	.	.	H	α-helix	trans	-64.6	-40.5	177.9	-58.2	0	0	0	0	111.9	A147 D148 Y149 R155	A147-T151 PolarHBondContact O-N 2.95Å; A147-T151 VanDerWaalsContact O-N 3.08Å; A147-T151 PolarHBondContact O-OG1 3.18Å; D148-T151 CarbonylContact O-C 3.53Å; D148-T151 WeakPolarHBondContact O-CA 3.23Å; D148-T151 WeakPolarHBondContact O-CB 3.33Å; D148-T151 PolarHBondContact O-N 3.43Å; Y149-T151 VanDerWaalsContact C-N 3.33Å; Y149-T151 PolarHBondContact O-N 2.9Å; T151-R155 WeakPolarHBondContact O-CB 3.4Å; T151-R155 PolarHBondContact O-N 2.87Å; T151-R155 VanDerWaalsContact O-N 3.1Å
152	E	98.3	Very high	98	Very high	71 Å²	71	58.8 Å²	58.8	33%	0.332	31%	0.309	S	S	.	.	H	α-helix	trans	-67.2	-48.7	178.6	-75.7	-177	-156.6	0	0	112	D148 Y149 L150 Q154 R155 V156 F165 T169	D148-E152 WeakPolarHBondContact O-CG 3.45Å; D148-E152 PolarHBondContact O-N 3.41Å; Y149-E152 PolarHBondContact O-N 3.26Å; L150-E152 PolarHBondContact O-N 3.49Å; E152-Q154 VanDerWaalsContact C-N 3.28Å; E152-Q154 PolarHBondContact O-N 3.37Å; E152-R155 WeakPolarHBondContact O-CB 3.4Å; E152-R155 PolarHBondContact O-N 3.08Å; E152-V156 WeakPolarHBondContact O-CG2 3.32Å; E152-V156 PolarHBondContact O-N 2.88Å; E152-F165 HydrophobicContact CB-CD2 3.95Å; E152-F165 HydrophobicContact CB-CE2 3.67Å; E152-F165 WeakPolarHBondContact OE2-CE2 3.48Å; E152-T169 VanDerWaalsContact OE2-CG2 3.28Å; E152-T169 WeakPolarHBondContact OE2-CG2 3.29Å; E152-T169 PolarHBondContact OE2-OG1 3.3Å; E152-T169 VanDerWaalsContact OE2-OG1 3.13Å
153	T	98.2	Very high	98	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.012	32%	0.324	C	S	.	.	H	α-helix	trans	-59.3	-39.3	178.1	50.2	0	0	0	0	111.8	L94 E95 M98 Y149 L150 R155 G157 F165	L94-T153 HydrophobicContact CB-CG2 3.99Å; E95-T153 WeakPolarHBondContact CA-OG1 3.47Å; M98-T153 HydrophobicContact CG-CG2 4.22Å; Y149-T153 WeakPolarHBondContact O-CB 3.23Å; Y149-T153 VanDerWaalsContact O-CG2 3.3Å; Y149-T153 WeakPolarHBondContact O-CG2 3.28Å; Y149-T153 PolarHBondContact O-N 2.88Å; Y149-T153 PolarHBondContact O-OG1 2.89Å; L150-T153 WeakPolarHBondContact CA-OG1 3.3Å; L150-T153 PolarHBondContact O-OG1 2.89Å; T153-R155 PolarHBondContact O-N 2.98Å; T153-G157 PolarHBondContact O-N 3.38Å; T153-G157 VanDerWaalsContact O-N 3.09Å; T153-F165 HydrophobicContact CG2-CD1 3.9Å; T153-F165 HydrophobicContact CG2-CD2 3.96Å; T153-F165 HydrophobicContact CG2-CE1 3.86Å; T153-F165 HydrophobicContact CG2-CE2 3.93Å; T153-F165 HydrophobicContact CG2-CG 3.94Å; T153-F165 HydrophobicContact CG2-CZ 3.89Å
154	Q	98.3	Very high	97.9	Very high	105 Å²	105	65.6 Å²	65.6	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-62.5	-39.8	171.6	-76.8	177.1	-12.4	0	0	113.1	E95 L150 E152	E95-Q154 HydrophobicContact CG-CG 3.79Å; E95-Q154 VanDerWaalsContact OE1-CG 3.23Å; E95-Q154 WeakPolarHBondContact OE1-CG 3.39Å; E95-Q154 PolarHBondContact OE1-NE2 3.04Å; L150-Q154 HydrophobicContact CD1-CG 4.45Å; L150-Q154 WeakPolarHBondContact O-CB 3.41Å; L150-Q154 VanDerWaalsContact O-CG 3.29Å; L150-Q154 WeakPolarHBondContact O-CG 3.48Å; L150-Q154 PolarHBondContact O-N 2.82Å; L150-Q154 VanDerWaalsContact O-N 3.1Å; E152-Q154 VanDerWaalsContact C-N 3.28Å; E152-Q154 PolarHBondContact O-N 3.37Å
155	R	98.3	Very high	97.9	Very high	203 Å²	203	60.4 Å²	60.4	77%	0.766	31%	0.312	S	S	*	.	H	α-helix	trans	-72.7	-40.2	-177.2	-173.4	178	-67.2	171.9	1.7	112.6	T151 E152 T153	T151-R155 WeakPolarHBondContact O-CB 3.4Å; T151-R155 PolarHBondContact O-N 2.87Å; T151-R155 VanDerWaalsContact O-N 3.1Å; E152-R155 WeakPolarHBondContact O-CB 3.4Å; E152-R155 PolarHBondContact O-N 3.08Å; T153-R155 PolarHBondContact O-N 2.98Å
156	V	97.7	Very high	97.9	Very high	68 Å²	68	57.6 Å²	57.6	41%	0.412	30%	0.298	S	S	.	.	H	α-helix	trans	-79.1	-25.5	-179.3	-58.3	0	0	0	0	112.3	E152 G161 F165	E152-V156 WeakPolarHBondContact O-CG2 3.32Å; E152-V156 PolarHBondContact O-N 2.88Å; V156-G161 VanDerWaalsContact CG2-C 3.46Å; V156-G161 WeakPolarHBondContact CG2-O 3.32Å; V156-G161 WeakPolarHBondContact O-CA 3.44Å; V156-F165 HydrophobicContact CG2-CB 4.34Å
157	G	96.6	Very high	97.8	Very high	28 Å²	28	60.2 Å²	60.2	29%	0.289	31%	0.31	S	S	.	.			trans	70.6	-177.9	-179.3	0	0	0	0	0	113.6	T153 G161 E162	T153-G157 PolarHBondContact O-N 3.38Å; T153-G157 VanDerWaalsContact O-N 3.09Å; G157-G161 CarbonylContact O-C 3.53Å; G157-G161 WeakPolarHBondContact O-CA 3.45Å; G157-E162 PolarHBondContact O-N 3.23Å
158	K	95.9	Very high	97.7	Very high	129 Å²	129	64.8 Å²	64.8	56%	0.561	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	163.8	-174.3	-60.3	-163.1	178.6	-154.3	0	113.8	S92 L160 E162	S92-K158 PolarHBondContact O-NZ 3.48Å; K158-L160 PolarHBondContact O-N 3.35Å; K158-E162 VanDerWaalsContact CA-OE2 3.31Å; K158-E162 WeakPolarHBondContact CA-OE2 3.29Å
159	G	96.2	Very high	97.6	Very high	47 Å²	47	63.7 Å²	63.7	49%	0.485	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	-110.4	172.3	0	0	0	0	0	112.2	G161 E162 Y163	G159-G161 PolarHBondContact O-N 3.36Å; G159-E162 PolarHBondContact N-OE2 3.22Å; G159-E162 PolarHBondContact O-N 3.49Å; G159-Y163 PolarHBondContact O-N 3.3Å
160	L	97.7	Very high	97.5	Very high	125 Å²	125	63.2 Å²	63.2	65%	0.654	32%	0.324	S	S	*	.	H	α-helix	trans	-61.7	-34.8	179.5	-179.5	61.2	0	0	0	111.8	K158 Y163 L164	K158-L160 PolarHBondContact O-N 3.35Å; L160-Y163 HydrophobicContact CD1-CD1 4.18Å; L160-Y163 PolarHBondContact O-N 3.02Å; L160-L164 HydrophobicContact CD1-CD1 4.35Å; L160-L164 HydrophobicContact CD1-CG 4.17Å; L160-L164 HydrophobicContact CG-CD1 4.11Å; L160-L164 HydrophobicContact CG-CG 4.36Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.42Å; L160-L164 PolarHBondContact O-N 2.91Å
161	G	97.8	Very high	96.2	Very high	9 Å²	9	66.2 Å²	66.2	9%	0.093	34%	0.34	C	S	.	.	H	α-helix	trans	-61.9	-50.8	178	0	0	0	0	0	112.5	V156 G157 G159 Y163 L164 F165	V156-G161 VanDerWaalsContact CG2-C 3.46Å; V156-G161 WeakPolarHBondContact CG2-O 3.32Å; V156-G161 WeakPolarHBondContact O-CA 3.44Å; G157-G161 CarbonylContact O-C 3.53Å; G157-G161 WeakPolarHBondContact O-CA 3.45Å; G159-G161 PolarHBondContact O-N 3.36Å; G161-Y163 VanDerWaalsContact C-N 3.34Å; G161-Y163 PolarHBondContact O-N 2.89Å; G161-L164 PolarHBondContact O-N 2.62Å; G161-F165 PolarHBondContact O-N 3.33Å
162	E	97.5	Very high	94.1	Very high	18 Å²	18	72.1 Å²	72.1	8%	0.084	36%	0.363	C	S	.	.	H	α-helix	trans	-59.7	-42.2	174.7	-71.2	174	126.6	0	0	112.5	F46 S93 L94 G157 K158 G159 L164 F165 D166	F46-E162 HydrophobicContact CE1-CB 4Å; F46-E162 HydrophobicContact CZ-CB 3.78Å; S93-E162 WeakPolarHBondContact CA-OE1 3.47Å; S93-E162 WeakPolarHBondContact CB-OE1 3.33Å; L94-E162 HydrophobicContact CB-CG 4.26Å; L94-E162 HydrophobicContact CD1-CB 3.82Å; L94-E162 HydrophobicContact CD1-CG 4.21Å; L94-E162 WeakPolarHBondContact CD1-O 3.42Å; L94-E162 HydrophobicContact CG-CB 4.45Å; L94-E162 HydrophobicContact CG-CG 4.45Å; L94-E162 PolarHBondContact N-OE1 3.23Å; G157-E162 PolarHBondContact O-N 3.23Å; K158-E162 VanDerWaalsContact CA-OE2 3.31Å; K158-E162 WeakPolarHBondContact CA-OE2 3.29Å; G159-E162 PolarHBondContact N-OE2 3.22Å; G159-E162 PolarHBondContact O-N 3.49Å; E162-L164 VanDerWaalsContact C-N 3.32Å; E162-L164 PolarHBondContact O-N 2.97Å; E162-F165 PolarHBondContact O-N 3.17Å; E162-D166 WeakPolarHBondContact O-CB 3.48Å; E162-D166 PolarHBondContact O-N 3.4Å
163	Y	97.7	Very high	93.9	Very high	123 Å²	123	72.2 Å²	72.2	48%	0.482	36%	0.364	S	S	.	.	H	α-helix	trans	-58.6	-44.6	174.8	175.2	-94.1	0	0	0	111.8	G159 L160 G161 K167	G159-Y163 PolarHBondContact O-N 3.3Å; L160-Y163 HydrophobicContact CD1-CD1 4.18Å; L160-Y163 PolarHBondContact O-N 3.02Å; G161-Y163 VanDerWaalsContact C-N 3.34Å; G161-Y163 PolarHBondContact O-N 2.89Å; Y163-K167 HydrophobicContact CD1-CG 4.49Å; Y163-K167 HydrophobicContact CE1-CG 4.11Å; Y163-K167 HydrophobicContact CE2-CG 4.17Å; Y163-K167 WeakPolarHBondContact O-CB 3.47Å; Y163-K167 WeakPolarHBondContact O-CG 3.42Å; Y163-K167 PolarHBondContact O-N 2.99Å; Y163-K167 VanDerWaalsContact O-N 3.09Å
164	L	97.7	Very high	93.6	Very high	76 Å²	76	75.9 Å²	75.9	40%	0.398	38%	0.383	S	S	.	.	H	α-helix	trans	-68.3	-38.6	177.6	-69.4	174.3	0	0	0	111.9	L160 G161 E162 K167 L168	L160-L164 HydrophobicContact CD1-CD1 4.35Å; L160-L164 HydrophobicContact CD1-CG 4.17Å; L160-L164 HydrophobicContact CG-CD1 4.11Å; L160-L164 HydrophobicContact CG-CG 4.36Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.42Å; L160-L164 PolarHBondContact O-N 2.91Å; G161-L164 PolarHBondContact O-N 2.62Å; E162-L164 VanDerWaalsContact C-N 3.32Å; E162-L164 PolarHBondContact O-N 2.97Å; L164-K167 PolarHBondContact O-N 2.63Å; L164-L168 HydrophobicContact CB-CD1 4.42Å; L164-L168 HydrophobicContact CD2-CD1 4.22Å; L164-L168 VanDerWaalsContact O-CB 3.23Å; L164-L168 WeakPolarHBondContact O-CB 3.31Å; L164-L168 WeakPolarHBondContact O-CG 2.91Å; L164-L168 PolarHBondContact O-N 3.1Å
165	F	98.1	Very high	93.4	Very high	4 Å²	4	74.3 Å²	74.3	2%	0.018	38%	0.377	C	S	.	.	H	α-helix	trans	-61.6	-48.7	175.7	-179.4	-86.4	0	0	0	111.7	L94 M98 Y149 E152 T153 V156 G161 E162 K167 L168 T169 L170	L94-F165 HydrophobicContact CD1-CD1 3.96Å; M98-F165 HydrophobicContact CE-CE1 3.75Å; M98-F165 HydrophobicContact CE-CZ 4.13Å; Y149-F165 HydrophobicContact CD1-CE2 4.1Å; Y149-F165 AromaticContact CD1-CZ 3.79Å; Y149-F165 HydrophobicContact CD1-CZ 3.79Å; Y149-F165 HydrophobicContact CD2-CZ 4.42Å; Y149-F165 HydrophobicContact CE1-CZ 4.48Å; Y149-F165 HydrophobicContact CG-CE2 4.41Å; Y149-F165 AromaticContact CG-CZ 3.75Å; Y149-F165 HydrophobicContact CG-CZ 3.75Å; E152-F165 HydrophobicContact CB-CD2 3.95Å; E152-F165 HydrophobicContact CB-CE2 3.67Å; E152-F165 WeakPolarHBondContact OE2-CE2 3.48Å; T153-F165 HydrophobicContact CG2-CD1 3.9Å; T153-F165 HydrophobicContact CG2-CD2 3.96Å; T153-F165 HydrophobicContact CG2-CE1 3.86Å; T153-F165 HydrophobicContact CG2-CE2 3.93Å; T153-F165 HydrophobicContact CG2-CG 3.94Å; T153-F165 HydrophobicContact CG2-CZ 3.89Å; V156-F165 HydrophobicContact CG2-CB 4.34Å; G161-F165 PolarHBondContact O-N 3.33Å; E162-F165 PolarHBondContact O-N 3.17Å; F165-K167 VanDerWaalsContact C-N 3.26Å; F165-K167 PolarHBondContact O-N 3.49Å; F165-L168 PolarHBondContact O-N 3.35Å; F165-T169 HydrophobicContact CD2-CG2 4.2Å; F165-T169 HydrophobicContact CE2-CG2 3.63Å; F165-T169 HydrophobicContact CZ-CG2 3.94Å; F165-T169 WeakPolarHBondContact O-CB 3.11Å; F165-T169 PolarHBondContact O-N 3.49Å; F165-L170 HydrophobicContact CD1-CD1 4.22Å; F165-L170 HydrophobicContact CD1-CG 4.12Å; F165-L170 HydrophobicContact CE1-CD1 3.83Å; F165-L170 HydrophobicContact CE1-CD2 3.73Å; F165-L170 HydrophobicContact CE1-CG 3.62Å; F165-L170 HydrophobicContact CZ-CD2 4.05Å; F165-L170 HydrophobicContact CZ-CG 4.34Å; F165-L170 PolarHBondContact O-N 3Å
166	D	98	Very high	93.1	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-54.7	-44.3	173.7	175.5	84.6	0	0	0	110.9	F46 K48 A49 L94 E162	F46-D166 VanDerWaalsContact C-OD1 3.23Å; F46-D166 WeakPolarHBondContact CA-OD1 3.37Å; F46-D166 WeakPolarHBondContact CB-OD1 3.43Å; F46-D166 HydrophobicContact CD1-CB 3.8Å; K48-D166 WeakPolarHBondContact CA-OD1 3.33Å; K48-D166 WeakPolarHBondContact CB-O 3.4Å; K48-D166 VanDerWaalsContact CB-OD1 3.31Å; K48-D166 WeakPolarHBondContact CB-OD1 3.35Å; K48-D166 VanDerWaalsContact CG-O 3.28Å; K48-D166 WeakPolarHBondContact CG-O 3.46Å; K48-D166 PolarHBondContact N-OD1 2.99Å; A49-D166 PolarHBondContact N-OD1 2.93Å; L94-D166 HydrophobicContact CD1-CB 4.43Å; E162-D166 WeakPolarHBondContact O-CB 3.48Å; E162-D166 PolarHBondContact O-N 3.4Å
167	K	96.6	Very high	92.8	Very high	60 Å²	60	66.6 Å²	66.6	26%	0.261	35%	0.35	S	S	.	.	H	α-helix	trans	-81.3	-26.7	-174.2	-67.5	-69.7	174.6	-101.9	0	115.2	Y163 L164 F165 N171	Y163-K167 HydrophobicContact CD1-CG 4.49Å; Y163-K167 HydrophobicContact CE1-CG 4.11Å; Y163-K167 HydrophobicContact CE2-CG 4.17Å; Y163-K167 WeakPolarHBondContact O-CB 3.47Å; Y163-K167 WeakPolarHBondContact O-CG 3.42Å; Y163-K167 PolarHBondContact O-N 2.99Å; Y163-K167 VanDerWaalsContact O-N 3.09Å; L164-K167 PolarHBondContact O-N 2.63Å; F165-K167 VanDerWaalsContact C-N 3.26Å; F165-K167 PolarHBondContact O-N 3.49Å; K167-N171 PolarHBondContact O-ND2 3.1Å
168	L	96.4	Very high	92.6	Very high	127 Å²	127	69.2 Å²	69.2	67%	0.665	35%	0.354	S	S	*	.	H	α-helix	trans	-115.8	-31.4	-168.8	-58.5	-179.9	0	0	0	113.3	L164 F165	L164-L168 HydrophobicContact CB-CD1 4.42Å; L164-L168 HydrophobicContact CD2-CD1 4.22Å; L164-L168 VanDerWaalsContact O-CB 3.23Å; L164-L168 WeakPolarHBondContact O-CB 3.31Å; L164-L168 WeakPolarHBondContact O-CG 2.91Å; L164-L168 PolarHBondContact O-N 3.1Å; F165-L168 PolarHBondContact O-N 3.35Å
169	T	96.7	Very high	92.3	Very high	40 Å²	40	64.9 Å²	64.9	25%	0.245	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-46.8	-177.8	-56.8	0	0	0	0	111.4	Y149 E152 F165 N171	Y149-T169 HydrophobicContact CD1-CG2 3.87Å; Y149-T169 HydrophobicContact CE1-CG2 3.44Å; Y149-T169 VanDerWaalsContact CE1-CG2 3.44Å; E152-T169 VanDerWaalsContact OE2-CG2 3.28Å; E152-T169 WeakPolarHBondContact OE2-CG2 3.29Å; E152-T169 PolarHBondContact OE2-OG1 3.3Å; E152-T169 VanDerWaalsContact OE2-OG1 3.13Å; F165-T169 HydrophobicContact CD2-CG2 4.2Å; F165-T169 HydrophobicContact CE2-CG2 3.63Å; F165-T169 HydrophobicContact CZ-CG2 3.94Å; F165-T169 WeakPolarHBondContact O-CB 3.11Å; F165-T169 PolarHBondContact O-N 3.49Å; T169-N171 PolarHBondContact O-N 2.81Å
170	L	96.1	Very high	92	Very high	7 Å²	7	66.3 Å²	66.3	4%	0.037	33%	0.328	C	S	.	.	S	Bend	trans	-79.3	20.6	-176.7	-58.6	-177.2	0	0	0	114.1	K48 A49 F52 M98 Y149 F165 E172	K48-L170 HydrophobicContact CB-CB 3.96Å; A49-L170 HydrophobicContact CB-CD1 3.71Å; F52-L170 HydrophobicContact CD2-CD2 4.28Å; F52-L170 HydrophobicContact CG-CD2 4.24Å; M98-L170 HydrophobicContact CE-CD1 4.26Å; M98-L170 HydrophobicContact CE-CD2 4.06Å; Y149-L170 HydrophobicContact CD2-CD2 4.26Å; Y149-L170 HydrophobicContact CE2-CD2 3.83Å; F165-L170 HydrophobicContact CD1-CD1 4.22Å; F165-L170 HydrophobicContact CD1-CG 4.12Å; F165-L170 HydrophobicContact CE1-CD1 3.83Å; F165-L170 HydrophobicContact CE1-CD2 3.73Å; F165-L170 HydrophobicContact CE1-CG 3.62Å; F165-L170 HydrophobicContact CZ-CD2 4.05Å; F165-L170 HydrophobicContact CZ-CG 4.34Å; F165-L170 PolarHBondContact O-N 3Å; L170-E172 PolarHBondContact O-N 2.95Å
171	N	71.4	Confident	91.6	Very high	81 Å²	81	61.4 Å²	61.4	43%	0.433	30%	0.301	S	S	.	.			trans	-88.7	75.7	177	-86.3	-19.4	0	0	0	110.9	K48 K167 T169	K48-N171 WeakPolarHBondContact CD-OD1 3.23Å; K48-N171 WeakPolarHBondContact CE-OD1 3.46Å; K48-N171 PolarHBondContact NZ-OD1 2.99Å; K167-N171 PolarHBondContact O-ND2 3.1Å; T169-N171 PolarHBondContact O-N 2.81Å
172	E	54.8	Low	91	Very high	191 Å²	191	66.2 Å²	66.2	89%	0.893	32%	0.32	S	S	*	.			trans	-127.3	0	162.4	-65.6	-170.5	169	0	0	110.3	K55 L170	K55-E172 VanDerWaalsContact NZ-C 3.28Å; K55-E172 PolarHBondContact NZ-O 3Å; K55-E172 PolarHBondContact NZ-OXT 3.09Å; L170-E172 PolarHBondContact O-N 2.95Å

Retrieved 172 of 172 residues in 254.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).