A0A5K4F500_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 A0A5K4F500, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 181 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	44	Very low	51.3	Low	239 Å²	239	155.2 Å²	155.2	100%	1.177	81%	0.805	S	S	*	*				0	88.4	0	-80.2	169.7	158.3	0	0	108.8
2	N	42.8	Very low	53.8	Low	160 Å²	160	153.3 Å²	153.3	86%	0.856	79%	0.789	S	S	*	*			trans	-92	113	171.6	-86.8	-6	0	0	0	108.6	T4	N2-T4 PolarHBondContact O-N 3.07Å; N2-T4 VanDerWaalsContact O-N 3.07Å
3	K	45.7	Very low	56.9	Low	203 Å²	203	143.3 Å²	143.3	88%	0.883	74%	0.741	S	S	*	*			trans	-69.5	94.8	169.4	-72.3	179.8	176.4	179.1	0	107.8	V5	K3-V5 PolarHBondContact O-N 3.06Å; K3-V5 VanDerWaalsContact O-N 3.07Å
4	T	49	Very low	59.7	Low	138 Å²	138	147.6 Å²	147.6	85%	0.847	74%	0.743	S	S	*	*			trans	-71.4	103.7	165	-44.4	0	0	0	0	107	N2 S6	N2-T4 PolarHBondContact O-N 3.07Å; N2-T4 VanDerWaalsContact O-N 3.07Å; T4-S6 PolarHBondContact O-N 2.73Å
5	V	49.1	Very low	62.1	Low	115 Å²	115	141.7 Å²	141.7	70%	0.697	73%	0.726	S	S	*	*			trans	-51.1	126.8	172.3	175.9	0	0	0	0	107.9	K3 K7	K3-V5 PolarHBondContact O-N 3.06Å; K3-V5 VanDerWaalsContact O-N 3.07Å; V5-K7 PolarHBondContact O-N 3.3Å
6	S	49.1	Very low	64.3	Low	108 Å²	108	136.8 Å²	136.8	76%	0.755	70%	0.696	S	S	*	*			trans	-58.6	87.5	170.1	-175.6	0	0	0	0	107.8	T4 H8	T4-S6 PolarHBondContact O-N 2.73Å; S6-H8 PolarHBondContact O-N 3.07Å
7	K	54.3	Low	66.2	Low	177 Å²	177	138.1 Å²	138.1	77%	0.77	70%	0.698	S	S	*	*			trans	-59.5	115.7	167.2	-84.3	-177.7	174.7	178.7	0	103.9	V5 I9	V5-K7 PolarHBondContact O-N 3.3Å; K7-I9 VanDerWaalsContact C-N 3.28Å; K7-I9 VanDerWaalsContact O-CG1 3.24Å; K7-I9 WeakPolarHBondContact O-CG1 3.41Å; K7-I9 PolarHBondContact O-N 2.85Å
8	H	49.9	Very low	67.9	Low	161 Å²	161	135.7 Å²	135.7	75%	0.745	69%	0.688	S	S	*	*			trans	-45.2	102.5	164.5	-77.3	-67.2	0	0	0	107.1	S6 F10	S6-H8 PolarHBondContact O-N 3.07Å; H8-F10 HydrophobicContact CB-CE2 4.24Å; H8-F10 WeakPolarHBondContact O-CD2 3.24Å; H8-F10 PolarHBondContact O-N 2.85Å
9	I	56.1	Low	69.5	Low	143 Å²	143	129 Å²	129	73%	0.733	65%	0.653	S	S	*	*			trans	-73.5	92.4	-178	-55.5	-179.7	0	0	0	103.2	K7 T11	K7-I9 VanDerWaalsContact C-N 3.28Å; K7-I9 VanDerWaalsContact O-CG1 3.24Å; K7-I9 WeakPolarHBondContact O-CG1 3.41Å; K7-I9 PolarHBondContact O-N 2.85Å; I9-T11 HydrophobicContact CG2-CG2 4.13Å; I9-T11 PolarHBondContact O-N 2.74Å
10	F	54.8	Low	71	Confident	127 Å²	127	124 Å²	124	56%	0.557	63%	0.633	S	S	*	*			trans	-60.5	96.4	159.9	-67.8	-79.9	0	0	0	104.9	H8 E12	H8-F10 HydrophobicContact CB-CE2 4.24Å; H8-F10 WeakPolarHBondContact O-CD2 3.24Å; H8-F10 PolarHBondContact O-N 2.85Å; F10-E12 PolarHBondContact O-N 3.13Å
11	T	69.7	Low	72.3	Confident	136 Å²	136	122.6 Å²	122.6	83%	0.834	62%	0.622	S	S	*	*	S	Bend	trans	-62.9	-28.3	176.7	46.3	0	0	0	0	110	I9	I9-T11 HydrophobicContact CG2-CG2 4.13Å; I9-T11 PolarHBondContact O-N 2.74Å
12	E	81.7	Confident	74.9	Confident	132 Å²	132	114.9 Å²	114.9	62%	0.617	58%	0.583	S	S	*	*	S	Bend	trans	-106.5	139.5	176.4	-165.8	167.8	-161.2	0	0	112.5	F10 R14	F10-E12 PolarHBondContact O-N 3.13Å; E12-R14 PolarHBondContact O-N 3.05Å
13	S	93.8	Very high	77.5	Confident	24 Å²	24	107.2 Å²	107.2	17%	0.168	54%	0.542	C	S	.	.			trans	-70.5	126.6	177	-175	0	0	0	0	111	A15 R16 G84	S13-A15 PolarHBondContact O-N 3.5Å; S13-A15 VanDerWaalsContact O-N 3.13Å; S13-R16 WeakPolarHBondContact O-CB 3.47Å; S13-R16 PolarHBondContact O-N 3.37Å; S13-G84 VanDerWaalsContact CB-O 3.22Å; S13-G84 WeakPolarHBondContact CB-O 3.28Å; S13-G84 VanDerWaalsContact OG-CA 3.28Å; S13-G84 WeakPolarHBondContact OG-CA 3.22Å; S13-G84 PolarHBondContact OG-O 3.46Å
14	R	95.3	Very high	80.1	Confident	204 Å²	204	98 Å²	98	77%	0.77	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.9	175.5	-62.6	-177.4	-176.2	-178	0.4	114.1	E12	E12-R14 PolarHBondContact O-N 3.05Å
15	A	96.2	Very high	82.4	Confident	58 Å²	58	94.1 Å²	94.1	48%	0.479	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-9.9	179.1	0	0	0	0	0	113.3	S13 Q17	S13-A15 PolarHBondContact O-N 3.5Å; S13-A15 VanDerWaalsContact O-N 3.13Å; A15-Q17 PolarHBondContact O-N 3.12Å
16	R	97.4	Very high	84.8	Confident	64 Å²	64	89.2 Å²	89.2	24%	0.242	45%	0.448	C	S	.	.			trans	-73	119.8	-175	177.9	171	-69.6	-122.5	9.2	110.1	S13 F19 E24 R83 G84	S13-R16 WeakPolarHBondContact O-CB 3.47Å; S13-R16 PolarHBondContact O-N 3.37Å; R16-F19 HydrophobicContact CG-CB 4.31Å; R16-F19 PolarHBondContact NH1-O 2.95Å; R16-E24 IonicContact CZ-OE2 3.47Å; R16-E24 IonicContact NH1-OE2 3.43Å; R16-E24 PolarHBondContact NH1-OE2 3.36Å; R16-E24 IonicContact NH2-OE1 3.45Å; R16-E24 PolarHBondContact NH2-OE1 3.35Å; R16-E24 IonicContact NH2-OE2 2.65Å; R16-E24 PolarHBondContact NH2-OE2 3.4Å; R16-R83 WeakPolarHBondContact CA-O 3.4Å; R16-G84 PolarHBondContact NH2-O 3.31Å
17	Q	96.6	Very high	87.2	Confident	159 Å²	159	84 Å²	84	74%	0.743	41%	0.412	S	S	*	.	S	Bend	trans	-148.8	131.7	173.7	-175	-177.7	5.6	0	0	109.4	A15 F19 R83	A15-Q17 PolarHBondContact O-N 3.12Å; Q17-F19 PolarHBondContact O-N 2.93Å; Q17-F19 VanDerWaalsContact O-N 3.11Å; Q17-R83 PolarHBondContact O-NH2 3.2Å
18	N	97.4	Very high	89.3	Confident	94 Å²	94	76.1 Å²	76.1	50%	0.503	38%	0.378	S	S	.	.	S	Bend	trans	46.5	40.9	-178.5	-164.7	48.3	0	0	0	113.1	R83 N132	N18-R83 PolarHBondContact O-NH2 3.11Å; N18-N132 PolarHBondContact ND2-O 3.11Å
19	F	98.1	Very high	91.6	Very high	9 Å²	9	75.6 Å²	75.6	4%	0.039	37%	0.373	C	S	.	.			trans	-128.7	93.6	-174.6	-168.4	-127.8	0	0	0	109	R16 Q17 C23 E24 I27 Q80 R83 L136	R16-F19 HydrophobicContact CG-CB 4.31Å; R16-F19 PolarHBondContact NH1-O 2.95Å; Q17-F19 PolarHBondContact O-N 2.93Å; Q17-F19 VanDerWaalsContact O-N 3.11Å; F19-C23 HydrophobicContact CD2-CB 4.14Å; F19-C23 HydrophobicContact CE2-CB 3.85Å; F19-E24 HydrophobicContact CD1-CB 4.47Å; F19-E24 HydrophobicContact CE1-CB 3.7Å; F19-E24 HydrophobicContact CZ-CB 3.93Å; F19-I27 HydrophobicContact CE2-CD1 3.79Å; F19-I27 HydrophobicContact CZ-CD1 3.65Å; F19-Q80 VanDerWaalsContact CZ-OE1 3.3Å; F19-R83 HydrophobicContact CD1-CB 3.75Å; F19-R83 WeakPolarHBondContact CD1-O 3.13Å; F19-R83 HydrophobicContact CD2-CB 4.02Å; F19-R83 HydrophobicContact CD2-CG 4.43Å; F19-R83 HydrophobicContact CE1-CB 3.83Å; F19-R83 HydrophobicContact CE2-CB 4.11Å; F19-R83 HydrophobicContact CE2-CG 4.43Å; F19-R83 HydrophobicContact CG-CB 3.84Å; F19-R83 HydrophobicContact CZ-CB 4.02Å; F19-L136 HydrophobicContact CE2-CD2 4.35Å
20	A	98.3	Very high	93.7	Very high	29 Å²	29	68.9 Å²	68.9	24%	0.24	34%	0.339	C	S	.	.			trans	-66.7	149.6	-176.1	0	0	0	0	0	111.1	E22 C23 E24 N131	A20-E22 PolarHBondContact O-N 3.29Å; A20-C23 WeakPolarHBondContact O-CB 3.45Å; A20-C23 PolarHBondContact O-N 2.86Å; A20-C23 VanDerWaalsContact O-N 3.11Å; A20-E24 PolarHBondContact O-N 3.04Å; A20-E24 VanDerWaalsContact O-N 3.14Å; A20-N131 HydrophobicContact CB-CB 4.01Å; A20-N131 WeakPolarHBondContact CB-OD1 3.47Å
21	K	98.1	Very high	95.8	Very high	94 Å²	94	62.9 Å²	62.9	41%	0.409	31%	0.313	S	S	.	.	H	α-helix	trans	-58.3	-37.9	176	-178.9	53.2	177.5	157	0	111.7	C23 E24 D25	K21-C23 VanDerWaalsContact C-N 3.31Å; K21-C23 PolarHBondContact O-N 2.65Å; K21-E24 HydrophobicContact CD-CG 4.1Å; K21-E24 WeakPolarHBondContact CD-OE2 3.36Å; K21-E24 IonicContact NZ-OE1 3.4Å; K21-E24 IonicContact NZ-OE2 3.49Å; K21-E24 PolarHBondContact NZ-OE2 3.2Å; K21-E24 PolarHBondContact O-N 3.43Å; K21-D25 WeakPolarHBondContact CE-OD1 3.32Å; K21-D25 WeakPolarHBondContact CE-OD2 3.01Å; K21-D25 IonicContact NZ-OD1 3.26Å; K21-D25 PolarHBondContact NZ-OD1 3.36Å; K21-D25 IonicContact NZ-OD2 2.8Å; K21-D25 VanDerWaalsContact O-CG 3.31Å; K21-D25 PolarHBondContact O-N 3.28Å
22	E	98.7	Very high	97.1	Very high	77 Å²	77	57.9 Å²	57.9	36%	0.36	28%	0.281	S	S	.	.	H	α-helix	trans	-58.9	-39.6	175.9	-165.6	178.4	-152.4	0	0	112.3	A20 A26 I127 K130 N131	A20-E22 PolarHBondContact O-N 3.29Å; E22-A26 VanDerWaalsContact O-CB 3.3Å; E22-A26 WeakPolarHBondContact O-CB 3.38Å; E22-A26 PolarHBondContact O-N 3.43Å; E22-I127 HydrophobicContact CB-CG2 4.31Å; E22-I127 HydrophobicContact CG-CG2 3.77Å; E22-K130 VanDerWaalsContact CD-NZ 3.3Å; E22-K130 IonicContact OE1-NZ 2.83Å; E22-K130 PolarHBondContact OE1-NZ 3.03Å; E22-K130 IonicContact OE2-NZ 3.46Å; E22-K130 PolarHBondContact OE2-NZ 3.23Å; E22-N131 PolarHBondContact OE2-ND2 2.99Å
23	C	98.8	Very high	98	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67.5	-44	175.4	-63.3	0	0	0	0	111.9	F19 A20 K21 D25 A26 I27 L136	F19-C23 HydrophobicContact CD2-CB 4.14Å; F19-C23 HydrophobicContact CE2-CB 3.85Å; A20-C23 WeakPolarHBondContact O-CB 3.45Å; A20-C23 PolarHBondContact O-N 2.86Å; A20-C23 VanDerWaalsContact O-N 3.11Å; K21-C23 VanDerWaalsContact C-N 3.31Å; K21-C23 PolarHBondContact O-N 2.65Å; C23-D25 VanDerWaalsContact C-N 3.33Å; C23-D25 PolarHBondContact O-N 3.45Å; C23-A26 PolarHBondContact O-N 2.81Å; C23-I27 WeakPolarHBondContact O-CG1 3.46Å; C23-I27 PolarHBondContact O-N 2.89Å; C23-L136 HydrophobicContact CB-CD2 3.67Å
24	E	98.8	Very high	98.2	Very high	9 Å²	9	53.1 Å²	53.1	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-42.5	175.9	141.4	171.5	-124.3	0	0	111.9	R16 F19 A20 K21 I27 N28 Q80 G85 R86	R16-E24 IonicContact CZ-OE2 3.47Å; R16-E24 IonicContact NH1-OE2 3.43Å; R16-E24 PolarHBondContact NH1-OE2 3.36Å; R16-E24 IonicContact NH2-OE1 3.45Å; R16-E24 PolarHBondContact NH2-OE1 3.35Å; R16-E24 IonicContact NH2-OE2 2.65Å; R16-E24 PolarHBondContact NH2-OE2 3.4Å; F19-E24 HydrophobicContact CD1-CB 4.47Å; F19-E24 HydrophobicContact CE1-CB 3.7Å; F19-E24 HydrophobicContact CZ-CB 3.93Å; A20-E24 PolarHBondContact O-N 3.04Å; A20-E24 VanDerWaalsContact O-N 3.14Å; K21-E24 HydrophobicContact CD-CG 4.1Å; K21-E24 WeakPolarHBondContact CD-OE2 3.36Å; K21-E24 IonicContact NZ-OE1 3.4Å; K21-E24 IonicContact NZ-OE2 3.49Å; K21-E24 PolarHBondContact NZ-OE2 3.2Å; K21-E24 PolarHBondContact O-N 3.43Å; E24-I27 PolarHBondContact O-N 3.03Å; E24-N28 PolarHBondContact O-N 3.08Å; E24-N28 PolarHBondContact O-ND2 2.9Å; E24-Q80 VanDerWaalsContact CG-NE2 3.3Å; E24-Q80 PolarHBondContact O-NE2 3.01Å; E24-G85 WeakPolarHBondContact OE1-CA 2.88Å; E24-R86 PolarHBondContact OE1-N 3.24Å
25	D	98.8	Very high	98.4	Very high	57 Å²	57	45.2 Å²	45.2	31%	0.305	23%	0.229	S	C	.	.	H	α-helix	trans	-70.2	-35.8	179.8	-67.8	-21.8	0	0	0	111.4	K21 C23 N28 K29	K21-D25 WeakPolarHBondContact CE-OD1 3.32Å; K21-D25 WeakPolarHBondContact CE-OD2 3.01Å; K21-D25 IonicContact NZ-OD1 3.26Å; K21-D25 PolarHBondContact NZ-OD1 3.36Å; K21-D25 IonicContact NZ-OD2 2.8Å; K21-D25 VanDerWaalsContact O-CG 3.31Å; K21-D25 PolarHBondContact O-N 3.28Å; C23-D25 VanDerWaalsContact C-N 3.33Å; C23-D25 PolarHBondContact O-N 3.45Å; D25-N28 PolarHBondContact O-N 2.91Å; D25-K29 WeakPolarHBondContact O-CG 3.47Å; D25-K29 PolarHBondContact O-N 3.26Å
26	A	98.9	Very high	98.5	Very high	11 Å²	11	44 Å²	44	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-67.5	-39.4	174.5	0	0	0	0	0	112.1	E22 C23 K29 Q30 L124 I127	E22-A26 VanDerWaalsContact O-CB 3.3Å; E22-A26 WeakPolarHBondContact O-CB 3.38Å; E22-A26 PolarHBondContact O-N 3.43Å; C23-A26 PolarHBondContact O-N 2.81Å; A26-K29 WeakPolarHBondContact O-CB 3.37Å; A26-K29 PolarHBondContact O-N 3.15Å; A26-Q30 PolarHBondContact O-N 3.42Å; A26-L124 HydrophobicContact CB-CD1 3.37Å; A26-I127 HydrophobicContact CB-CD1 3.75Å; A26-I127 HydrophobicContact CB-CG2 4.36Å
27	I	98.9	Very high	98.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-41.2	172.2	-71.3	160.2	0	0	0	111	F19 C23 E24 K29 Q30 I31 L76 Y79 Q80 L124 L136	F19-I27 HydrophobicContact CE2-CD1 3.79Å; F19-I27 HydrophobicContact CZ-CD1 3.65Å; C23-I27 WeakPolarHBondContact O-CG1 3.46Å; C23-I27 PolarHBondContact O-N 2.89Å; E24-I27 PolarHBondContact O-N 3.03Å; I27-K29 VanDerWaalsContact C-N 3.28Å; I27-K29 PolarHBondContact O-N 3.24Å; I27-Q30 PolarHBondContact O-N 3.37Å; I27-Q30 VanDerWaalsContact O-N 3.12Å; I27-I31 HydrophobicContact CG2-CD1 3.82Å; I27-I31 HydrophobicContact CG2-CG1 4.21Å; I27-I31 VanDerWaalsContact O-CG1 3.32Å; I27-I31 WeakPolarHBondContact O-CG1 3.34Å; I27-I31 PolarHBondContact O-N 3.43Å; I27-L76 HydrophobicContact CG2-CB 4.35Å; I27-L76 HydrophobicContact CG2-CD2 4.45Å; I27-Y79 HydrophobicContact CD1-CD1 4.2Å; I27-Y79 HydrophobicContact CD1-CE1 4.36Å; I27-Q80 VanDerWaalsContact CD1-OE1 3.31Å; I27-Q80 HydrophobicContact CG2-CB 4Å; I27-Q80 HydrophobicContact CG2-CG 4.38Å; I27-L124 HydrophobicContact CG1-CD1 3.99Å; I27-L124 HydrophobicContact CG1-CD2 4.12Å; I27-L136 HydrophobicContact CD1-CD1 3.89Å; I27-L136 HydrophobicContact CD1-CD2 4.12Å; I27-L136 HydrophobicContact CG1-CD1 4.36Å
28	N	98.9	Very high	98.7	Very high	10 Å²	10	34 Å²	34	5%	0.053	17%	0.172	C	C	.	.	H	α-helix	trans	-60.1	-38.5	175.5	-75.9	-32.1	0	0	0	112.3	E24 D25 N32 Q80 R86 V87 Q88	E24-N28 PolarHBondContact O-N 3.08Å; E24-N28 PolarHBondContact O-ND2 2.9Å; D25-N28 PolarHBondContact O-N 2.91Å; N28-N32 PolarHBondContact O-N 3.42Å; N28-N32 VanDerWaalsContact O-N 3.16Å; N28-Q80 PolarHBondContact OD1-NE2 2.98Å; N28-R86 PolarHBondContact ND2-O 3.41Å; N28-R86 PolarHBondContact OD1-O 2.73Å; N28-V87 VanDerWaalsContact OD1-CA 3.27Å; N28-V87 WeakPolarHBondContact OD1-CA 3.44Å; N28-Q88 PolarHBondContact OD1-N 3.28Å
29	K	98.8	Very high	98.7	Very high	151 Å²	151	33.8 Å²	33.8	66%	0.657	17%	0.165	S	C	*	.	H	α-helix	trans	-63.9	-43.7	172.8	-70.3	174.1	-176.7	176.7	0	111.7	D25 A26 I27 N32 M33	D25-K29 WeakPolarHBondContact O-CG 3.47Å; D25-K29 PolarHBondContact O-N 3.26Å; A26-K29 WeakPolarHBondContact O-CB 3.37Å; A26-K29 PolarHBondContact O-N 3.15Å; I27-K29 VanDerWaalsContact C-N 3.28Å; I27-K29 PolarHBondContact O-N 3.24Å; K29-N32 PolarHBondContact O-N 3.21Å; K29-M33 PolarHBondContact O-N 3.22Å
30	Q	98.9	Very high	98.7	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-44.1	178.5	-166.4	64.5	26.9	0	0	111.5	A26 I27 N32 M33 E34 L76 S120 L121 L124	A26-Q30 PolarHBondContact O-N 3.42Å; I27-Q30 PolarHBondContact O-N 3.37Å; I27-Q30 VanDerWaalsContact O-N 3.12Å; Q30-N32 PolarHBondContact O-N 2.8Å; Q30-M33 WeakPolarHBondContact O-CA 3.48Å; Q30-M33 WeakPolarHBondContact O-CB 3.37Å; Q30-M33 PolarHBondContact O-N 2.87Å; Q30-E34 PolarHBondContact NE2-OE1 3.06Å; Q30-E34 WeakPolarHBondContact O-CG 3.45Å; Q30-E34 PolarHBondContact O-N 2.83Å; Q30-L76 HydrophobicContact CB-CD1 3.97Å; Q30-L76 HydrophobicContact CG-CD1 3.51Å; Q30-L76 HydrophobicContact CG-CD2 4.43Å; Q30-S120 PolarHBondContact OE1-OG 3.21Å; Q30-L121 HydrophobicContact CG-CD2 3.85Å; Q30-L124 HydrophobicContact CB-CD2 4.21Å; Q30-L124 HydrophobicContact CG-CD2 4.45Å
31	I	98.9	Very high	98.8	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-52.8	-44.9	173.5	-69.4	165.8	0	0	0	110.6	I27 M33 E34 L35 L76 A77 V87 Y89	I27-I31 HydrophobicContact CG2-CD1 3.82Å; I27-I31 HydrophobicContact CG2-CG1 4.21Å; I27-I31 VanDerWaalsContact O-CG1 3.32Å; I27-I31 WeakPolarHBondContact O-CG1 3.34Å; I27-I31 PolarHBondContact O-N 3.43Å; I31-M33 VanDerWaalsContact C-N 3.3Å; I31-M33 PolarHBondContact O-N 2.87Å; I31-E34 PolarHBondContact O-N 3.11Å; I31-L35 HydrophobicContact CG2-CD1 3.98Å; I31-L35 WeakPolarHBondContact O-CB 3.37Å; I31-L35 VanDerWaalsContact O-CG 3.25Å; I31-L35 WeakPolarHBondContact O-CG 3.12Å; I31-L35 PolarHBondContact O-N 3.11Å; I31-L76 HydrophobicContact CD1-CB 4.19Å; I31-L76 HydrophobicContact CG1-CB 3.49Å; I31-L76 VanDerWaalsContact CG1-CB 3.49Å; I31-L76 HydrophobicContact CG1-CD1 4.27Å; I31-L76 HydrophobicContact CG1-CG 4.49Å; I31-A77 HydrophobicContact CD1-CB 4.06Å; I31-V87 HydrophobicContact CD1-CG1 4.14Å; I31-V87 HydrophobicContact CD1-CG2 4.25Å; I31-Y89 HydrophobicContact CG2-CE1 4.25Å
32	N	98.8	Very high	98.8	Very high	30 Å²	30	33 Å²	33	16%	0.16	16%	0.16	C	C	.	.	H	α-helix	trans	-67.1	-32.6	178.1	-163.1	86.4	0	0	0	112.8	N28 K29 Q30 Q36 S90	N28-N32 PolarHBondContact O-N 3.42Å; N28-N32 VanDerWaalsContact O-N 3.16Å; K29-N32 PolarHBondContact O-N 3.21Å; Q30-N32 PolarHBondContact O-N 2.8Å; N32-Q36 WeakPolarHBondContact O-CB 3.25Å; N32-Q36 PolarHBondContact O-N 3.35Å; N32-S90 WeakPolarHBondContact OD1-CB 3.41Å; N32-S90 PolarHBondContact OD1-N 2.93Å; N32-S90 PolarHBondContact OD1-O 3.43Å; N32-S90 VanDerWaalsContact OD1-O 3.1Å
33	M	98.7	Very high	98.8	Very high	56 Å²	56	29.7 Å²	29.7	28%	0.276	15%	0.146	S	C	.	.	H	α-helix	trans	-69	-44.1	177.2	-167	161.4	-166.8	0	0	111.5	K29 Q30 I31 L35 Q36 A37 A116 V117 S120	K29-M33 PolarHBondContact O-N 3.22Å; Q30-M33 WeakPolarHBondContact O-CA 3.48Å; Q30-M33 WeakPolarHBondContact O-CB 3.37Å; Q30-M33 PolarHBondContact O-N 2.87Å; I31-M33 VanDerWaalsContact C-N 3.3Å; I31-M33 PolarHBondContact O-N 2.87Å; M33-L35 PolarHBondContact O-N 2.74Å; M33-Q36 WeakPolarHBondContact O-CB 3.24Å; M33-Q36 PolarHBondContact O-N 2.65Å; M33-A37 PolarHBondContact O-N 2.82Å; M33-A116 VanDerWaalsContact CE-C 3.46Å; M33-A116 HydrophobicContact CE-CB 3.91Å; M33-A116 WeakPolarHBondContact CE-O 3.27Å; M33-V117 HydrophobicContact CE-CG2 4.25Å; M33-V117 HydrophobicContact CG-CG2 4.3Å; M33-S120 WeakPolarHBondContact SD-CB 3.19Å
34	E	98.9	Very high	98.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.3	-38.4	176	-50.7	-48.6	178.2	0	0	111.7	Q30 I31 Q36 A37 A38 E69 H72 A73 L76 V117	Q30-E34 PolarHBondContact NE2-OE1 3.06Å; Q30-E34 WeakPolarHBondContact O-CG 3.45Å; Q30-E34 PolarHBondContact O-N 2.83Å; I31-E34 PolarHBondContact O-N 3.11Å; E34-Q36 VanDerWaalsContact C-N 3.31Å; E34-Q36 PolarHBondContact O-N 3.31Å; E34-A37 PolarHBondContact O-N 3.14Å; E34-A38 WeakPolarHBondContact O-CB 3.12Å; E34-A38 PolarHBondContact O-N 3.26Å; E34-E69 WeakPolarHBondContact CB-O 3.47Å; E34-H72 HydrophobicContact CB-CB 4.24Å; E34-H72 HydrophobicContact CG-CB 3.87Å; E34-A73 HydrophobicContact CB-CB 3.84Å; E34-L76 HydrophobicContact CG-CD1 3.7Å; E34-V117 WeakPolarHBondContact OE2-CG1 3.33Å
35	L	98.9	Very high	98.7	Very high	38 Å²	38	30.9 Å²	30.9	20%	0.199	15%	0.152	C	C	.	.	H	α-helix	trans	-64.9	-34.9	173.5	-71	172.7	0	0	0	112.6	I31 M33 Y39 A73 Y89 I92	I31-L35 HydrophobicContact CG2-CD1 3.98Å; I31-L35 WeakPolarHBondContact O-CB 3.37Å; I31-L35 VanDerWaalsContact O-CG 3.25Å; I31-L35 WeakPolarHBondContact O-CG 3.12Å; I31-L35 PolarHBondContact O-N 3.11Å; M33-L35 PolarHBondContact O-N 2.74Å; L35-Y39 PolarHBondContact O-N 3.48Å; L35-A73 HydrophobicContact CD2-CB 3.75Å; L35-A73 HydrophobicContact CG-CB 3.76Å; L35-Y89 HydrophobicContact CD1-CD1 3.96Å; L35-Y89 HydrophobicContact CD1-CE1 4.01Å; L35-I92 HydrophobicContact CB-CD1 3.8Å; L35-I92 HydrophobicContact CB-CG1 4.45Å
36	Q	98.7	Very high	98.7	Very high	32 Å²	32	32 Å²	32	15%	0.15	16%	0.161	C	C	.	.	H	α-helix	trans	-67.8	-45.1	172.9	-176.8	67.4	63.6	0	0	110.8	N32 M33 E34 A38 Y39 D40 K93	N32-Q36 WeakPolarHBondContact O-CB 3.25Å; N32-Q36 PolarHBondContact O-N 3.35Å; M33-Q36 WeakPolarHBondContact O-CB 3.24Å; M33-Q36 PolarHBondContact O-N 2.65Å; E34-Q36 VanDerWaalsContact C-N 3.31Å; E34-Q36 PolarHBondContact O-N 3.31Å; Q36-A38 VanDerWaalsContact C-N 3.34Å; Q36-A38 PolarHBondContact O-N 2.67Å; Q36-Y39 PolarHBondContact O-N 2.91Å; Q36-Y39 VanDerWaalsContact O-N 3.11Å; Q36-D40 PolarHBondContact NE2-OD1 3.04Å; Q36-D40 VanDerWaalsContact O-CG 3.24Å; Q36-D40 PolarHBondContact O-N 2.93Å; Q36-K93 PolarHBondContact NE2-O 3.49Å; Q36-K93 PolarHBondContact OE1-O 2.67Å
37	A	98.8	Very high	98.7	Very high	5 Å²	5	32.6 Å²	32.6	4%	0.041	16%	0.161	C	C	.	.	H	α-helix	trans	-61.1	-42.7	177.5	0	0	0	0	0	111.6	M33 E34 Y39 D40 Y41 E69	M33-A37 PolarHBondContact O-N 2.82Å; E34-A37 PolarHBondContact O-N 3.14Å; A37-Y39 VanDerWaalsContact C-N 3.29Å; A37-Y39 PolarHBondContact O-N 3.1Å; A37-D40 PolarHBondContact O-N 3.22Å; A37-Y41 WeakPolarHBondContact O-CD2 3.39Å; A37-Y41 PolarHBondContact O-N 3.4Å; A37-E69 HydrophobicContact CB-CB 4.21Å; A37-E69 HydrophobicContact CB-CG 3.84Å
38	A	98.8	Very high	98.7	Very high	9 Å²	9	32.7 Å²	32.7	7%	0.074	16%	0.162	C	C	.	.	H	α-helix	trans	-56.3	-43.2	172.8	0	0	0	0	0	112	E34 Q36 M42 S66 E69 R70	E34-A38 WeakPolarHBondContact O-CB 3.12Å; E34-A38 PolarHBondContact O-N 3.26Å; Q36-A38 VanDerWaalsContact C-N 3.34Å; Q36-A38 PolarHBondContact O-N 2.67Å; A38-M42 PolarHBondContact O-N 3.17Å; A38-M42 VanDerWaalsContact O-N 3.13Å; A38-S66 WeakPolarHBondContact CB-O 3.25Å; A38-S66 WeakPolarHBondContact O-CB 3.45Å; A38-S66 PolarHBondContact O-OG 2.99Å; A38-E69 HydrophobicContact CB-CB 3.85Å; A38-R70 HydrophobicContact CB-CB 4.23Å
39	Y	98.6	Very high	98.6	Very high	89 Å²	89	37.9 Å²	37.9	35%	0.349	19%	0.189	S	C	.	.	H	α-helix	trans	-72.2	-37.1	179	-170.5	-150.4	0	0	0	112.6	L35 Q36 A37 M42 A43 I92 K93 P95	L35-Y39 PolarHBondContact O-N 3.48Å; Q36-Y39 PolarHBondContact O-N 2.91Å; Q36-Y39 VanDerWaalsContact O-N 3.11Å; A37-Y39 VanDerWaalsContact C-N 3.29Å; A37-Y39 PolarHBondContact O-N 3.1Å; Y39-M42 HydrophobicContact CD2-CE 3.58Å; Y39-M42 HydrophobicContact CE2-CE 3.43Å; Y39-M42 VanDerWaalsContact CE2-CE 3.43Å; Y39-M42 WeakPolarHBondContact O-CB 3.47Å; Y39-M42 PolarHBondContact O-N 2.93Å; Y39-A43 PolarHBondContact O-N 3.07Å; Y39-I92 HydrophobicContact CD1-CG2 3.5Å; Y39-I92 HydrophobicContact CE1-CG2 4.29Å; Y39-I92 HydrophobicContact CG-CG2 4.24Å; Y39-K93 WeakPolarHBondContact CD1-O 3.33Å; Y39-P95 HydrophobicContact CD1-CG 4.09Å; Y39-P95 HydrophobicContact CD2-CG 4.45Å; Y39-P95 HydrophobicContact CE1-CG 4.26Å; Y39-P95 HydrophobicContact CG-CG 4.22Å
40	D	98.7	Very high	98.6	Very high	29 Å²	29	34.7 Å²	34.7	16%	0.155	17%	0.173	C	C	.	.	H	α-helix	trans	-64.2	-47.5	175.2	-68.4	-18.3	0	0	0	110.1	Q36 A37 M42 A43 F44 P95 M113	Q36-D40 PolarHBondContact NE2-OD1 3.04Å; Q36-D40 VanDerWaalsContact O-CG 3.24Å; Q36-D40 PolarHBondContact O-N 2.93Å; A37-D40 PolarHBondContact O-N 3.22Å; D40-M42 PolarHBondContact O-N 3.36Å; D40-A43 WeakPolarHBondContact O-CA 3.39Å; D40-A43 VanDerWaalsContact O-CB 3.25Å; D40-A43 WeakPolarHBondContact O-CB 3.33Å; D40-A43 PolarHBondContact O-N 3.36Å; D40-F44 WeakPolarHBondContact O-CD2 3.36Å; D40-F44 PolarHBondContact O-N 3.33Å; D40-P95 VanDerWaalsContact OD1-CA 3.31Å; D40-P95 WeakPolarHBondContact OD1-CA 3.37Å; D40-P95 WeakPolarHBondContact OD1-CB 3.3Å; D40-P95 WeakPolarHBondContact OD1-CG 3.31Å; D40-M113 HydrophobicContact CB-CE 3.53Å; D40-M113 HydrophobicContact CB-SD 4.36Å
41	Y	98.7	Very high	98.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-25.5	175.1	-76.9	-46.7	0	0	0	113.9	A37 A43 F44 L45 F62 A65 E69 A110 M113 E114	A37-Y41 WeakPolarHBondContact O-CD2 3.39Å; A37-Y41 PolarHBondContact O-N 3.4Å; Y41-A43 VanDerWaalsContact C-N 3.28Å; Y41-A43 PolarHBondContact O-N 3.42Å; Y41-F44 HydrophobicContact CD1-CD1 4.25Å; Y41-F44 HydrophobicContact CD1-CD2 4.31Å; Y41-F44 HydrophobicContact CD1-CE1 4.47Å; Y41-F44 HydrophobicContact CD1-CG 4.15Å; Y41-F44 HydrophobicContact CE1-CD1 4.47Å; Y41-F44 HydrophobicContact CE1-CE1 4.33Å; Y41-F44 HydrophobicContact CE1-CZ 4.49Å; Y41-F44 WeakPolarHBondContact O-CB 3.46Å; Y41-F44 PolarHBondContact O-N 3.06Å; Y41-L45 PolarHBondContact O-N 3Å; Y41-F62 AromaticContact CD1-CD1 3.48Å; Y41-F62 HydrophobicContact CD1-CD1 3.48Å; Y41-F62 VanDerWaalsContact CD1-CD1 3.48Å; Y41-F62 HydrophobicContact CD1-CE1 4.01Å; Y41-F62 HydrophobicContact CD1-CG 4.44Å; Y41-F62 AromaticContact CE1-CD1 3.7Å; Y41-F62 HydrophobicContact CE1-CD1 3.7Å; Y41-F62 AromaticContact CE1-CE1 3.77Å; Y41-F62 HydrophobicContact CE1-CE1 3.77Å; Y41-F62 HydrophobicContact CG-CD1 4.47Å; Y41-A65 HydrophobicContact CD1-CB 4.3Å; Y41-A65 HydrophobicContact CD2-CB 3.76Å; Y41-A65 HydrophobicContact CE2-CB 4Å; Y41-A65 HydrophobicContact CG-CB 3.93Å; Y41-E69 HydrophobicContact CD2-CG 3.84Å; Y41-E69 HydrophobicContact CE2-CG 4Å; Y41-A110 HydrophobicContact CE1-CB 3.94Å; Y41-M113 HydrophobicContact CD1-CE 4.26Å; Y41-M113 HydrophobicContact CD2-CE 4.33Å; Y41-M113 HydrophobicContact CE1-CE 4.04Å; Y41-M113 HydrophobicContact CE1-SD 4.49Å; Y41-M113 HydrophobicContact CE2-CE 4.12Å; Y41-M113 HydrophobicContact CG-CE 4.39Å; Y41-E114 WeakPolarHBondContact CE2-OE1 3.34Å; Y41-E114 PolarHBondContact OH-OE1 2.88Å
42	M	98.6	Very high	98.5	Very high	86 Å²	86	46.8 Å²	46.8	42%	0.424	24%	0.238	S	C	.	.	H	α-helix	trans	-65.3	-32.4	168.7	-166.2	178.1	78.9	0	0	112	A38 Y39 D40 L45 T46	A38-M42 PolarHBondContact O-N 3.17Å; A38-M42 VanDerWaalsContact O-N 3.13Å; Y39-M42 HydrophobicContact CD2-CE 3.58Å; Y39-M42 HydrophobicContact CE2-CE 3.43Å; Y39-M42 VanDerWaalsContact CE2-CE 3.43Å; Y39-M42 WeakPolarHBondContact O-CB 3.47Å; Y39-M42 PolarHBondContact O-N 2.93Å; D40-M42 PolarHBondContact O-N 3.36Å; M42-L45 HydrophobicContact CB-CD2 4.35Å; M42-L45 HydrophobicContact CG-CD2 4.1Å; M42-L45 WeakPolarHBondContact O-CG 3.35Å; M42-T46 WeakPolarHBondContact O-CG2 3.37Å; M42-T46 PolarHBondContact O-N 2.98Å; M42-T46 PolarHBondContact O-OG1 3.24Å; M42-T46 VanDerWaalsContact O-OG1 3.12Å
43	A	98.6	Very high	98.4	Very high	9 Å²	9	46.7 Å²	46.7	7%	0.074	24%	0.239	C	C	.	.	H	α-helix	trans	-66.8	-40.7	171.3	0	0	0	0	0	111.7	Y39 D40 Y41 T46 Y47 P95 V98	Y39-A43 PolarHBondContact O-N 3.07Å; D40-A43 WeakPolarHBondContact O-CA 3.39Å; D40-A43 VanDerWaalsContact O-CB 3.25Å; D40-A43 WeakPolarHBondContact O-CB 3.33Å; D40-A43 PolarHBondContact O-N 3.36Å; Y41-A43 VanDerWaalsContact C-N 3.28Å; Y41-A43 PolarHBondContact O-N 3.42Å; A43-T46 PolarHBondContact O-N 3.28Å; A43-T46 PolarHBondContact O-OG1 2.97Å; A43-Y47 WeakPolarHBondContact O-CB 3.46Å; A43-Y47 PolarHBondContact O-N 3.26Å; A43-P95 HydrophobicContact CB-CB 3.88Å; A43-P95 HydrophobicContact CB-CG 4.01Å; A43-V98 HydrophobicContact CB-CG1 3.98Å
44	F	98.6	Very high	98.3	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.009	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-50.2	178.3	-73.7	-130.7	0	0	0	110.8	D40 Y41 T46 Y47 F48 F62 F100 A106 T109 A110 M113	D40-F44 WeakPolarHBondContact O-CD2 3.36Å; D40-F44 PolarHBondContact O-N 3.33Å; Y41-F44 HydrophobicContact CD1-CD1 4.25Å; Y41-F44 HydrophobicContact CD1-CD2 4.31Å; Y41-F44 HydrophobicContact CD1-CE1 4.47Å; Y41-F44 HydrophobicContact CD1-CG 4.15Å; Y41-F44 HydrophobicContact CE1-CD1 4.47Å; Y41-F44 HydrophobicContact CE1-CE1 4.33Å; Y41-F44 HydrophobicContact CE1-CZ 4.49Å; Y41-F44 WeakPolarHBondContact O-CB 3.46Å; Y41-F44 PolarHBondContact O-N 3.06Å; F44-T46 VanDerWaalsContact C-N 3.33Å; F44-T46 PolarHBondContact O-N 3.18Å; F44-Y47 PolarHBondContact O-N 2.84Å; F44-F48 WeakPolarHBondContact O-CD2 3.21Å; F44-F48 PolarHBondContact O-N 3.23Å; F44-F48 VanDerWaalsContact O-N 3.08Å; F44-F62 HydrophobicContact CB-CB 3.79Å; F44-F62 HydrophobicContact CB-CD1 4.07Å; F44-F62 HydrophobicContact CB-CD2 3.9Å; F44-F62 HydrophobicContact CB-CG 3.65Å; F44-F62 AromaticContact CD1-CD1 3.83Å; F44-F62 HydrophobicContact CD1-CD1 3.83Å; F44-F62 HydrophobicContact CD1-CD2 4.16Å; F44-F62 AromaticContact CD1-CE1 3.62Å; F44-F62 HydrophobicContact CD1-CE1 3.62Å; F44-F62 AromaticContact CD1-CE2 3.98Å; F44-F62 HydrophobicContact CD1-CE2 3.98Å; F44-F62 HydrophobicContact CD1-CG 4.1Å; F44-F62 AromaticContact CD1-CZ 3.7Å; F44-F62 HydrophobicContact CD1-CZ 3.7Å; F44-F62 HydrophobicContact CE1-CE1 4.12Å; F44-F62 HydrophobicContact CE1-CZ 4.26Å; F44-F62 HydrophobicContact CG-CD1 4.26Å; F44-F62 HydrophobicContact CG-CE1 4.48Å; F44-F62 HydrophobicContact CG-CG 4.3Å; F44-F100 HydrophobicContact CB-CE2 4.48Å; F44-F100 HydrophobicContact CB-CZ 4.42Å; F44-F100 HydrophobicContact CD1-CE1 4.01Å; F44-F100 HydrophobicContact CD1-CE2 4.36Å; F44-F100 AromaticContact CD1-CZ 3.65Å; F44-F100 HydrophobicContact CD1-CZ 3.65Å; F44-F100 HydrophobicContact CD2-CE1 4.36Å; F44-F100 HydrophobicContact CD2-CE2 4.17Å; F44-F100 AromaticContact CD2-CZ 3.46Å; F44-F100 HydrophobicContact CD2-CZ 3.46Å; F44-F100 VanDerWaalsContact CD2-CZ 3.46Å; F44-F100 AromaticContact CE1-CE1 3.69Å; F44-F100 HydrophobicContact CE1-CE1 3.69Å; F44-F100 AromaticContact CE1-CZ 3.71Å; F44-F100 HydrophobicContact CE1-CZ 3.71Å; F44-F100 HydrophobicContact CE2-CE1 4.1Å; F44-F100 AromaticContact CE2-CZ 3.54Å; F44-F100 HydrophobicContact CE2-CZ 3.54Å; F44-F100 HydrophobicContact CG-CE1 4.35Å; F44-F100 HydrophobicContact CG-CE2 4.06Å; F44-F100 AromaticContact CG-CZ 3.54Å; F44-F100 HydrophobicContact CG-CZ 3.54Å; F44-F100 AromaticContact CZ-CE1 3.76Å; F44-F100 HydrophobicContact CZ-CE1 3.76Å; F44-F100 AromaticContact CZ-CZ 3.68Å; F44-F100 HydrophobicContact CZ-CZ 3.68Å; F44-A106 HydrophobicContact CD1-CB 4.36Å; F44-A106 HydrophobicContact CE1-CB 4.37Å; F44-T109 HydrophobicContact CE1-CG2 4.43Å; F44-T109 HydrophobicContact CE2-CG2 4.36Å; F44-T109 HydrophobicContact CZ-CG2 3.59Å; F44-A110 HydrophobicContact CE1-CB 4.18Å; F44-M113 HydrophobicContact CE2-SD 3.87Å; F44-M113 HydrophobicContact CZ-SD 3.66Å
45	L	97.6	Very high	98.3	Very high	32 Å²	32	49.4 Å²	49.4	17%	0.168	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-43.5	-179.4	80.9	87.5	0	0	0	111.2	Y41 M42 Y47 F48 D49 A59 F62 R63	Y41-L45 PolarHBondContact O-N 3Å; M42-L45 HydrophobicContact CB-CD2 4.35Å; M42-L45 HydrophobicContact CG-CD2 4.1Å; M42-L45 WeakPolarHBondContact O-CG 3.35Å; L45-Y47 VanDerWaalsContact C-N 3.3Å; L45-Y47 PolarHBondContact O-N 3.07Å; L45-F48 PolarHBondContact O-N 2.85Å; L45-D49 WeakPolarHBondContact O-CB 3.47Å; L45-D49 PolarHBondContact O-N 2.87Å; L45-A59 WeakPolarHBondContact CB-O 3.4Å; L45-F62 HydrophobicContact CB-CB 4.15Å; L45-R63 HydrophobicContact CB-CB 4.35Å; L45-R63 HydrophobicContact CD2-CB 3.85Å; L45-R63 HydrophobicContact CD2-CG 4.06Å
46	T	98.4	Very high	98.2	Very high	80 Å²	80	50.3 Å²	50.3	49%	0.491	27%	0.267	S	S	.	.	H	α-helix	trans	-68.4	-30.8	-178.1	55.9	0	0	0	0	112.6	M42 A43 F44 R50	M42-T46 WeakPolarHBondContact O-CG2 3.37Å; M42-T46 PolarHBondContact O-N 2.98Å; M42-T46 PolarHBondContact O-OG1 3.24Å; M42-T46 VanDerWaalsContact O-OG1 3.12Å; A43-T46 PolarHBondContact O-N 3.28Å; A43-T46 PolarHBondContact O-OG1 2.97Å; F44-T46 VanDerWaalsContact C-N 3.33Å; F44-T46 PolarHBondContact O-N 3.18Å; T46-R50 WeakPolarHBondContact O-CG 3.32Å
47	Y	98.8	Very high	98.2	Very high	24 Å²	24	51.3 Å²	51.3	9%	0.094	27%	0.271	C	S	.	.	H	α-helix	trans	-67.5	-48.4	173.9	170.9	-92.6	0	0	0	111.1	A43 F44 L45 D49 R50 V53 E99 F100	A43-Y47 WeakPolarHBondContact O-CB 3.46Å; A43-Y47 PolarHBondContact O-N 3.26Å; F44-Y47 PolarHBondContact O-N 2.84Å; L45-Y47 VanDerWaalsContact C-N 3.3Å; L45-Y47 PolarHBondContact O-N 3.07Å; Y47-D49 VanDerWaalsContact C-N 3.28Å; Y47-D49 PolarHBondContact O-N 3.49Å; Y47-R50 WeakPolarHBondContact O-CB 3.44Å; Y47-R50 WeakPolarHBondContact O-CD 3.44Å; Y47-R50 WeakPolarHBondContact O-CG 3.3Å; Y47-R50 PolarHBondContact O-N 2.84Å; Y47-V53 HydrophobicContact CD1-CG1 4.15Å; Y47-V53 HydrophobicContact CD2-CG2 4.37Å; Y47-V53 HydrophobicContact CE1-CB 4.45Å; Y47-V53 HydrophobicContact CE1-CG1 3.59Å; Y47-V53 HydrophobicContact CE1-CG2 4.03Å; Y47-V53 HydrophobicContact CE2-CG2 3.78Å; Y47-E99 HydrophobicContact CE2-CB 4.48Å; Y47-E99 WeakPolarHBondContact CE2-OE2 3.29Å; Y47-F100 HydrophobicContact CD1-CB 4.23Å; Y47-F100 AromaticContact CD1-CD2 3.38Å; Y47-F100 HydrophobicContact CD1-CD2 3.38Å; Y47-F100 HydrophobicContact CD1-CE2 4.2Å; Y47-F100 HydrophobicContact CD1-CG 4.23Å; Y47-F100 HydrophobicContact CD2-CD2 4.24Å; Y47-F100 HydrophobicContact CE1-CB 3.72Å; Y47-F100 AromaticContact CE1-CD2 3.79Å; Y47-F100 HydrophobicContact CE1-CD2 3.79Å; Y47-F100 HydrophobicContact CE1-CG 4.22Å; Y47-F100 AromaticContact CG-CD2 3.64Å; Y47-F100 HydrophobicContact CG-CD2 3.64Å; Y47-F100 HydrophobicContact CG-CE2 4.21Å; Y47-F100 PolarHBondContact OH-O 3.34Å
48	F	98.4	Very high	98.2	Very high	1 Å²	1	51 Å²	51	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-71.2	-20.1	-177	-74.3	-58.4	0	0	0	114.4	F44 L45 V53 F55 A58 A59 F62 L103 A106	F44-F48 WeakPolarHBondContact O-CD2 3.21Å; F44-F48 PolarHBondContact O-N 3.23Å; F44-F48 VanDerWaalsContact O-N 3.08Å; L45-F48 PolarHBondContact O-N 2.85Å; F48-V53 HydrophobicContact CD1-CG1 3.84Å; F48-V53 HydrophobicContact CE1-CG1 4.43Å; F48-F55 HydrophobicContact CB-CB 4.31Å; F48-F55 HydrophobicContact CD1-CB 3.77Å; F48-F55 AromaticContact CD1-CD2 3.79Å; F48-F55 HydrophobicContact CD1-CD2 3.79Å; F48-F55 HydrophobicContact CD1-CG 4.21Å; F48-F55 AromaticContact CE1-CD2 3.98Å; F48-F55 HydrophobicContact CE1-CD2 3.98Å; F48-F55 HydrophobicContact CG-CB 4.35Å; F48-F55 PolarHBondContact O-N 2.99Å; F48-A58 HydrophobicContact CB-CB 4.22Å; F48-A58 HydrophobicContact CD1-CB 4.19Å; F48-A58 HydrophobicContact CD2-CB 4.02Å; F48-A58 HydrophobicContact CE2-CB 4.46Å; F48-A58 HydrophobicContact CG-CB 3.88Å; F48-A59 HydrophobicContact CB-CB 3.97Å; F48-F62 AromaticContact CD2-CD2 3.73Å; F48-F62 HydrophobicContact CD2-CD2 3.73Å; F48-F62 AromaticContact CD2-CE2 3.94Å; F48-F62 HydrophobicContact CD2-CE2 3.94Å; F48-F62 AromaticContact CE2-CD2 3.82Å; F48-F62 HydrophobicContact CE2-CD2 3.82Å; F48-F62 AromaticContact CE2-CE2 3.54Å; F48-F62 HydrophobicContact CE2-CE2 3.54Å; F48-L103 HydrophobicContact CD1-CD2 4.3Å; F48-L103 HydrophobicContact CE1-CD2 3.55Å; F48-L103 HydrophobicContact CE1-CG 4.44Å; F48-L103 HydrophobicContact CZ-CD2 3.67Å; F48-A106 HydrophobicContact CE2-CB 3.68Å; F48-A106 HydrophobicContact CZ-CB 3.44Å; F48-A106 VanDerWaalsContact CZ-CB 3.44Å
49	D	98.3	Very high	98.2	Very high	119 Å²	119	51 Å²	51	64%	0.636	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-6.5	176.2	-163.5	48.5	0	0	0	114	L45 Y47 A59	L45-D49 WeakPolarHBondContact O-CB 3.47Å; L45-D49 PolarHBondContact O-N 2.87Å; Y47-D49 VanDerWaalsContact C-N 3.28Å; Y47-D49 PolarHBondContact O-N 3.49Å; D49-A59 HydrophobicContact CB-CB 4.08Å
50	R	98.6	Very high	98.1	Very high	84 Å²	84	49.1 Å²	49.1	32%	0.317	26%	0.262	S	S	.	.	S	Bend	trans	-66.9	146.8	177.9	-66.3	163.4	54.5	165.9	-5.3	111.8	T46 Y47 D52 V53 S54 E99	T46-R50 WeakPolarHBondContact O-CG 3.32Å; Y47-R50 WeakPolarHBondContact O-CB 3.44Å; Y47-R50 WeakPolarHBondContact O-CD 3.44Å; Y47-R50 WeakPolarHBondContact O-CG 3.3Å; Y47-R50 PolarHBondContact O-N 2.84Å; R50-D52 VanDerWaalsContact C-N 3.25Å; R50-D52 WeakPolarHBondContact CB-OD1 3.46Å; R50-D52 IonicContact CZ-OD1 2.82Å; R50-D52 IonicContact CZ-OD2 3.67Å; R50-D52 IonicContact NE-OD1 2.86Å; R50-D52 PolarHBondContact NE-OD1 3.44Å; R50-D52 IonicContact NE-OD2 3.74Å; R50-D52 IonicContact NH2-OD1 3.34Å; R50-D52 PolarHBondContact NH2-OD1 3.46Å; R50-D52 IonicContact NH2-OD2 2.73Å; R50-D52 PolarHBondContact NH2-OD2 3.37Å; R50-D52 PolarHBondContact O-N 3.33Å; R50-V53 HydrophobicContact CB-CB 4.34Å; R50-V53 HydrophobicContact CB-CG2 4.22Å; R50-V53 PolarHBondContact O-N 2.96Å; R50-V53 VanDerWaalsContact O-N 3.17Å; R50-S54 PolarHBondContact O-N 2.94Å; R50-E99 IonicContact CZ-OE1 3.23Å; R50-E99 IonicContact CZ-OE2 3.44Å; R50-E99 VanDerWaalsContact NH1-CD 3.31Å; R50-E99 IonicContact NH1-OE1 3.62Å; R50-E99 PolarHBondContact NH1-OE1 3.19Å; R50-E99 IonicContact NH1-OE2 3.82Å; R50-E99 PolarHBondContact NH1-OE2 3.33Å
51	D	98	Very high	98.1	Very high	155 Å²	155	49 Å²	49	83%	0.829	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.6	179.1	66.2	-80.3	0	0	0	113.4	V53	D51-V53 VanDerWaalsContact C-N 3.34Å
52	D	97.4	Very high	98.1	Very high	103 Å²	103	49 Å²	49	55%	0.551	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.7	178.4	68.4	-28	0	0	0	114.1	R50	R50-D52 VanDerWaalsContact C-N 3.25Å; R50-D52 WeakPolarHBondContact CB-OD1 3.46Å; R50-D52 IonicContact CZ-OD1 2.82Å; R50-D52 IonicContact CZ-OD2 3.67Å; R50-D52 IonicContact NE-OD1 2.86Å; R50-D52 PolarHBondContact NE-OD1 3.44Å; R50-D52 IonicContact NE-OD2 3.74Å; R50-D52 IonicContact NH2-OD1 3.34Å; R50-D52 PolarHBondContact NH2-OD1 3.46Å; R50-D52 IonicContact NH2-OD2 2.73Å; R50-D52 PolarHBondContact NH2-OD2 3.37Å; R50-D52 PolarHBondContact O-N 3.33Å
53	V	97.1	Very high	98.1	Very high	28 Å²	28	49.2 Å²	49.2	17%	0.17	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-55.8	177.1	177.8	0	0	0	0	110.7	Y47 F48 R50 D51 F55	Y47-V53 HydrophobicContact CD1-CG1 4.15Å; Y47-V53 HydrophobicContact CD2-CG2 4.37Å; Y47-V53 HydrophobicContact CE1-CB 4.45Å; Y47-V53 HydrophobicContact CE1-CG1 3.59Å; Y47-V53 HydrophobicContact CE1-CG2 4.03Å; Y47-V53 HydrophobicContact CE2-CG2 3.78Å; F48-V53 HydrophobicContact CD1-CG1 3.84Å; F48-V53 HydrophobicContact CE1-CG1 4.43Å; R50-V53 HydrophobicContact CB-CB 4.34Å; R50-V53 HydrophobicContact CB-CG2 4.22Å; R50-V53 PolarHBondContact O-N 2.96Å; R50-V53 VanDerWaalsContact O-N 3.17Å; D51-V53 VanDerWaalsContact C-N 3.34Å; V53-F55 HydrophobicContact CG1-CD2 3.8Å; V53-F55 HydrophobicContact CG1-CE2 4.39Å
54	S	96.5	Very high	98.1	Very high	78 Å²	78	52.1 Å²	52.1	55%	0.545	27%	0.268	S	S	.	.			trans	55.5	60.7	170.7	-155.8	0	0	0	0	116	R50 P56	R50-S54 PolarHBondContact O-N 2.94Å; S54-P56 WeakPolarHBondContact O-CD 3.49Å
55	F	98.1	Very high	98.1	Very high	34 Å²	34	52.5 Å²	52.5	15%	0.149	27%	0.271	C	S	.	.			trans	-117	76.1	168.2	-71.2	-68.5	0	0	0	110.3	F48 V53 K57 A58 A59 L103 Q171 D175	F48-F55 HydrophobicContact CB-CB 4.31Å; F48-F55 HydrophobicContact CD1-CB 3.77Å; F48-F55 AromaticContact CD1-CD2 3.79Å; F48-F55 HydrophobicContact CD1-CD2 3.79Å; F48-F55 HydrophobicContact CD1-CG 4.21Å; F48-F55 AromaticContact CE1-CD2 3.98Å; F48-F55 HydrophobicContact CE1-CD2 3.98Å; F48-F55 HydrophobicContact CG-CB 4.35Å; F48-F55 PolarHBondContact O-N 2.99Å; V53-F55 HydrophobicContact CG1-CD2 3.8Å; V53-F55 HydrophobicContact CG1-CE2 4.39Å; F55-K57 VanDerWaalsContact C-N 3.29Å; F55-K57 PolarHBondContact O-N 2.94Å; F55-A58 HydrophobicContact CB-CB 3.83Å; F55-A58 WeakPolarHBondContact O-CB 3.39Å; F55-A58 PolarHBondContact O-N 3.32Å; F55-A58 VanDerWaalsContact O-N 3.15Å; F55-A59 PolarHBondContact O-N 3.37Å; F55-L103 HydrophobicContact CD1-CD1 4.07Å; F55-L103 HydrophobicContact CD2-CD2 4.45Å; F55-L103 HydrophobicContact CD2-CG 4.44Å; F55-L103 HydrophobicContact CE1-CD1 3.93Å; F55-L103 HydrophobicContact CE1-CG 4.46Å; F55-L103 HydrophobicContact CE2-CG 4.36Å; F55-L103 HydrophobicContact CG-CD1 4.49Å; F55-L103 HydrophobicContact CG-CD2 4.4Å; F55-L103 HydrophobicContact CZ-CD1 4.25Å; F55-L103 HydrophobicContact CZ-CG 4.35Å; F55-Q171 HydrophobicContact CE1-CB 4.19Å; F55-Q171 HydrophobicContact CZ-CB 4.09Å; F55-D175 WeakPolarHBondContact CA-OD1 3.48Å; F55-D175 WeakPolarHBondContact CB-OD1 3.4Å; F55-D175 HydrophobicContact CD1-CB 3.64Å; F55-D175 HydrophobicContact CE1-CB 4.3Å
56	P	97.3	Very high	98.2	Very high	58 Å²	58	51.6 Å²	51.6	38%	0.377	27%	0.267	S	S	.	.	H	α-helix	trans	-67.7	-25.1	-168.6	27.2	-36.7	0	0	0	113.7	S54 E60	S54-P56 WeakPolarHBondContact O-CD 3.49Å; P56-E60 WeakPolarHBondContact O-CB 3.48Å; P56-E60 PolarHBondContact O-N 2.92Å
57	K	98.3	Very high	98.2	Very high	52 Å²	52	51.3 Å²	51.3	23%	0.226	26%	0.26	C	S	.	.	H	α-helix	trans	-78.1	-36	175.4	-62.3	-70.4	-167.9	173.7	0	110.7	F55 E60 F61 D175 L179 E181	F55-K57 VanDerWaalsContact C-N 3.29Å; F55-K57 PolarHBondContact O-N 2.94Å; K57-E60 PolarHBondContact O-N 2.97Å; K57-F61 VanDerWaalsContact O-CB 3.22Å; K57-F61 WeakPolarHBondContact O-CB 3.37Å; K57-F61 PolarHBondContact O-N 3.07Å; K57-D175 WeakPolarHBondContact CA-OD1 3.48Å; K57-D175 WeakPolarHBondContact CB-O 3.49Å; K57-D175 WeakPolarHBondContact CB-OD1 3.5Å; K57-D175 WeakPolarHBondContact CG-O 3.38Å; K57-D175 PolarHBondContact N-OD1 2.96Å; K57-L179 HydrophobicContact CB-CB 4Å; K57-E181 HydrophobicContact CD-CG 4.19Å; K57-E181 IonicContact NZ-OE1 2.8Å; K57-E181 PolarHBondContact NZ-OE1 3.32Å; K57-E181 IonicContact NZ-OE2 3.06Å
58	A	98.5	Very high	98.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62	-43	168.4	0	0	0	0	0	112.1	F48 F55 E60 F61 F62 L103 D175 L179	F48-A58 HydrophobicContact CB-CB 4.22Å; F48-A58 HydrophobicContact CD1-CB 4.19Å; F48-A58 HydrophobicContact CD2-CB 4.02Å; F48-A58 HydrophobicContact CE2-CB 4.46Å; F48-A58 HydrophobicContact CG-CB 3.88Å; F55-A58 HydrophobicContact CB-CB 3.83Å; F55-A58 WeakPolarHBondContact O-CB 3.39Å; F55-A58 PolarHBondContact O-N 3.32Å; F55-A58 VanDerWaalsContact O-N 3.15Å; A58-E60 PolarHBondContact O-N 3.04Å; A58-F61 PolarHBondContact O-N 3.14Å; A58-F62 WeakPolarHBondContact O-CD2 3.46Å; A58-F62 PolarHBondContact O-N 3.48Å; A58-L103 HydrophobicContact CB-CD2 3.89Å; A58-D175 PolarHBondContact N-OD1 3.05Å; A58-L179 HydrophobicContact CB-CD1 3.64Å
59	A	98.5	Very high	98.2	Very high	7 Å²	7	54.5 Å²	54.5	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-57.7	-49.2	175	0	0	0	0	0	111.5	L45 F48 D49 F55 F61 F62 R63	L45-A59 WeakPolarHBondContact CB-O 3.4Å; F48-A59 HydrophobicContact CB-CB 3.97Å; D49-A59 HydrophobicContact CB-CB 4.08Å; F55-A59 PolarHBondContact O-N 3.37Å; A59-F61 PolarHBondContact O-N 3.23Å; A59-F62 PolarHBondContact O-N 3.45Å; A59-R63 WeakPolarHBondContact O-CB 3.46Å; A59-R63 PolarHBondContact O-N 3Å
60	E	98.3	Very high	98.2	Very high	50 Å²	50	54.6 Å²	54.6	23%	0.234	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-38.8	177.9	179.7	58.6	-165.8	0	0	112.8	P56 K57 A58 R63 K64 E181	P56-E60 WeakPolarHBondContact O-CB 3.48Å; P56-E60 PolarHBondContact O-N 2.92Å; K57-E60 PolarHBondContact O-N 2.97Å; A58-E60 PolarHBondContact O-N 3.04Å; E60-R63 WeakPolarHBondContact O-CB 3.45Å; E60-R63 PolarHBondContact O-N 3.06Å; E60-R63 IonicContact OE1-CZ 3.67Å; E60-R63 IonicContact OE1-NE 4Å; E60-R63 PolarHBondContact OE1-NE 3.46Å; E60-R63 IonicContact OE1-NH2 2.72Å; E60-R63 PolarHBondContact OE1-NH2 2.86Å; E60-R63 IonicContact OE2-CZ 3.5Å; E60-R63 IonicContact OE2-NE 3.65Å; E60-R63 PolarHBondContact OE2-NE 2.72Å; E60-R63 IonicContact OE2-NH2 3.97Å; E60-R63 PolarHBondContact OE2-NH2 3.04Å; E60-K64 WeakPolarHBondContact O-CG 3.37Å; E60-K64 PolarHBondContact O-N 2.9Å; E60-K64 VanDerWaalsContact O-N 3.12Å; E60-K64 WeakPolarHBondContact OE1-CE 3.43Å; E60-K64 IonicContact OE1-NZ 2.94Å; E60-E181 HydrophobicContact CG-CG 4.3Å
61	F	98.6	Very high	98.2	Very high	28 Å²	28	56.8 Å²	56.8	12%	0.123	28%	0.281	C	S	.	.	H	α-helix	trans	-59.9	-51	175.5	176.4	-94.3	0	0	0	111.3	K57 A58 A59 R63 K64 A65 F155 Y158 L179	K57-F61 VanDerWaalsContact O-CB 3.22Å; K57-F61 WeakPolarHBondContact O-CB 3.37Å; K57-F61 PolarHBondContact O-N 3.07Å; A58-F61 PolarHBondContact O-N 3.14Å; A59-F61 PolarHBondContact O-N 3.23Å; F61-R63 VanDerWaalsContact C-N 3.3Å; F61-R63 PolarHBondContact O-N 2.99Å; F61-K64 WeakPolarHBondContact O-CB 3.33Å; F61-K64 PolarHBondContact O-N 3.38Å; F61-K64 VanDerWaalsContact O-N 3.11Å; F61-A65 PolarHBondContact O-N 3.2Å; F61-F155 AromaticContact CE1-CE1 3.71Å; F61-F155 HydrophobicContact CE1-CE1 3.71Å; F61-F155 AromaticContact CE1-CZ 3.75Å; F61-F155 HydrophobicContact CE1-CZ 3.75Å; F61-F155 HydrophobicContact CZ-CE1 4.09Å; F61-F155 AromaticContact CZ-CZ 3.97Å; F61-F155 HydrophobicContact CZ-CZ 3.97Å; F61-Y158 HydrophobicContact CE2-CE2 4.09Å; F61-Y158 AromaticContact CZ-CE2 3.87Å; F61-Y158 HydrophobicContact CZ-CE2 3.87Å; F61-L179 HydrophobicContact CD2-CD2 4.32Å; F61-L179 HydrophobicContact CG-CD2 4.25Å
62	F	98.4	Very high	98.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-72.6	-21.8	179	-70.2	-62.6	0	0	0	113.4	Y41 F44 L45 F48 A58 A59 K64 S66 A106 M107 A110 F155	Y41-F62 AromaticContact CD1-CD1 3.48Å; Y41-F62 HydrophobicContact CD1-CD1 3.48Å; Y41-F62 VanDerWaalsContact CD1-CD1 3.48Å; Y41-F62 HydrophobicContact CD1-CE1 4.01Å; Y41-F62 HydrophobicContact CD1-CG 4.44Å; Y41-F62 AromaticContact CE1-CD1 3.7Å; Y41-F62 HydrophobicContact CE1-CD1 3.7Å; Y41-F62 AromaticContact CE1-CE1 3.77Å; Y41-F62 HydrophobicContact CE1-CE1 3.77Å; Y41-F62 HydrophobicContact CG-CD1 4.47Å; F44-F62 HydrophobicContact CB-CB 3.79Å; F44-F62 HydrophobicContact CB-CD1 4.07Å; F44-F62 HydrophobicContact CB-CD2 3.9Å; F44-F62 HydrophobicContact CB-CG 3.65Å; F44-F62 AromaticContact CD1-CD1 3.83Å; F44-F62 HydrophobicContact CD1-CD1 3.83Å; F44-F62 HydrophobicContact CD1-CD2 4.16Å; F44-F62 AromaticContact CD1-CE1 3.62Å; F44-F62 HydrophobicContact CD1-CE1 3.62Å; F44-F62 AromaticContact CD1-CE2 3.98Å; F44-F62 HydrophobicContact CD1-CE2 3.98Å; F44-F62 HydrophobicContact CD1-CG 4.1Å; F44-F62 AromaticContact CD1-CZ 3.7Å; F44-F62 HydrophobicContact CD1-CZ 3.7Å; F44-F62 HydrophobicContact CE1-CE1 4.12Å; F44-F62 HydrophobicContact CE1-CZ 4.26Å; F44-F62 HydrophobicContact CG-CD1 4.26Å; F44-F62 HydrophobicContact CG-CE1 4.48Å; F44-F62 HydrophobicContact CG-CG 4.3Å; L45-F62 HydrophobicContact CB-CB 4.15Å; F48-F62 AromaticContact CD2-CD2 3.73Å; F48-F62 HydrophobicContact CD2-CD2 3.73Å; F48-F62 AromaticContact CD2-CE2 3.94Å; F48-F62 HydrophobicContact CD2-CE2 3.94Å; F48-F62 AromaticContact CE2-CD2 3.82Å; F48-F62 HydrophobicContact CE2-CD2 3.82Å; F48-F62 AromaticContact CE2-CE2 3.54Å; F48-F62 HydrophobicContact CE2-CE2 3.54Å; A58-F62 WeakPolarHBondContact O-CD2 3.46Å; A58-F62 PolarHBondContact O-N 3.48Å; A59-F62 PolarHBondContact O-N 3.45Å; F62-K64 VanDerWaalsContact C-N 3.34Å; F62-S66 WeakPolarHBondContact O-CB 3.46Å; F62-S66 PolarHBondContact O-N 2.91Å; F62-A106 HydrophobicContact CZ-CB 4.49Å; F62-M107 HydrophobicContact CE2-CE 3.97Å; F62-M107 HydrophobicContact CZ-CE 3.79Å; F62-M107 HydrophobicContact CZ-SD 4.18Å; F62-A110 HydrophobicContact CE1-CB 4.15Å; F62-F155 HydrophobicContact CE1-CE1 4Å; F62-F155 HydrophobicContact CE1-CZ 4.23Å; F62-F155 HydrophobicContact CZ-CE1 4.39Å
63	R	98.6	Very high	98.3	Very high	89 Å²	89	45.4 Å²	45.4	34%	0.336	22%	0.22	S	C	.	.	H	α-helix	trans	-63.1	-41.6	166.8	-172.1	-173.8	73.7	76.7	-2.5	111.6	L45 A59 E60 F61 H67	L45-R63 HydrophobicContact CB-CB 4.35Å; L45-R63 HydrophobicContact CD2-CB 3.85Å; L45-R63 HydrophobicContact CD2-CG 4.06Å; A59-R63 WeakPolarHBondContact O-CB 3.46Å; A59-R63 PolarHBondContact O-N 3Å; E60-R63 WeakPolarHBondContact O-CB 3.45Å; E60-R63 PolarHBondContact O-N 3.06Å; E60-R63 IonicContact OE1-CZ 3.67Å; E60-R63 IonicContact OE1-NE 4Å; E60-R63 PolarHBondContact OE1-NE 3.46Å; E60-R63 IonicContact OE1-NH2 2.72Å; E60-R63 PolarHBondContact OE1-NH2 2.86Å; E60-R63 IonicContact OE2-CZ 3.5Å; E60-R63 IonicContact OE2-NE 3.65Å; E60-R63 PolarHBondContact OE2-NE 2.72Å; E60-R63 IonicContact OE2-NH2 3.97Å; E60-R63 PolarHBondContact OE2-NH2 3.04Å; F61-R63 VanDerWaalsContact C-N 3.3Å; F61-R63 PolarHBondContact O-N 2.99Å; R63-H67 PolarHBondContact NH1-CE1 3.34Å; R63-H67 VanDerWaalsContact NH1-CE1 3.28Å; R63-H67 PolarHBondContact O-CD2 2.99Å; R63-H67 VanDerWaalsContact O-CD2 3.31Å; R63-H67 PolarHBondContact O-N 3.47Å; R63-H67 VanDerWaalsContact O-N 3.16Å
64	K	98.3	Very high	98.4	Very high	71 Å²	71	49.7 Å²	49.7	31%	0.309	24%	0.239	S	C	.	.	H	α-helix	trans	-67.5	-46.4	176.6	-67.5	179	-169	-168.9	0	111.2	E60 F61 F62 S66 H67 E68 E181	E60-K64 WeakPolarHBondContact O-CG 3.37Å; E60-K64 PolarHBondContact O-N 2.9Å; E60-K64 VanDerWaalsContact O-N 3.12Å; E60-K64 WeakPolarHBondContact OE1-CE 3.43Å; E60-K64 IonicContact OE1-NZ 2.94Å; F61-K64 WeakPolarHBondContact O-CB 3.33Å; F61-K64 PolarHBondContact O-N 3.38Å; F61-K64 VanDerWaalsContact O-N 3.11Å; F62-K64 VanDerWaalsContact C-N 3.34Å; K64-S66 VanDerWaalsContact C-N 3.32Å; K64-S66 PolarHBondContact O-N 3.27Å; K64-H67 WeakPolarHBondContact O-CA 3.34Å; K64-H67 WeakPolarHBondContact O-CB 3.45Å; K64-H67 PolarHBondContact O-N 3.38Å; K64-E68 WeakPolarHBondContact O-CB 3.43Å; K64-E68 PolarHBondContact O-N 2.92Å; K64-E181 PolarHBondContact NZ-OXT 3.26Å
65	A	98.3	Very high	98.5	Very high	9 Å²	9	48.3 Å²	48.3	7%	0.074	23%	0.225	C	C	.	.	H	α-helix	trans	-55.5	-46.8	174.3	0	0	0	0	0	111.7	Y41 F61 H67 E68 E69	Y41-A65 HydrophobicContact CD1-CB 4.3Å; Y41-A65 HydrophobicContact CD2-CB 3.76Å; Y41-A65 HydrophobicContact CE2-CB 4Å; Y41-A65 HydrophobicContact CG-CB 3.93Å; F61-A65 PolarHBondContact O-N 3.2Å; A65-H67 VanDerWaalsContact C-N 3.26Å; A65-H67 PolarHBondContact O-N 3.43Å; A65-E68 PolarHBondContact O-N 3.5Å; A65-E69 WeakPolarHBondContact O-CG 3.35Å; A65-E69 PolarHBondContact O-N 2.99Å
66	S	98.7	Very high	98.6	Very high	13 Å²	13	46.7 Å²	46.7	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-57.3	-37.7	175.5	179.2	0	0	0	0	113.3	A38 F62 K64 R70	A38-S66 WeakPolarHBondContact CB-O 3.25Å; A38-S66 WeakPolarHBondContact O-CB 3.45Å; A38-S66 PolarHBondContact O-OG 2.99Å; F62-S66 WeakPolarHBondContact O-CB 3.46Å; F62-S66 PolarHBondContact O-N 2.91Å; K64-S66 VanDerWaalsContact C-N 3.32Å; K64-S66 PolarHBondContact O-N 3.27Å; S66-R70 PolarHBondContact O-N 3.2Å
67	H	98.7	Very high	98.6	Very high	75 Å²	75	44.6 Å²	44.6	35%	0.347	21%	0.205	S	C	.	.	H	α-helix	trans	-73	-42	177	-74.7	-161.3	0	0	0	112.3	R63 K64 A65 R70 E71	R63-H67 PolarHBondContact NH1-CE1 3.34Å; R63-H67 VanDerWaalsContact NH1-CE1 3.28Å; R63-H67 PolarHBondContact O-CD2 2.99Å; R63-H67 VanDerWaalsContact O-CD2 3.31Å; R63-H67 PolarHBondContact O-N 3.47Å; R63-H67 VanDerWaalsContact O-N 3.16Å; K64-H67 WeakPolarHBondContact O-CA 3.34Å; K64-H67 WeakPolarHBondContact O-CB 3.45Å; K64-H67 PolarHBondContact O-N 3.38Å; A65-H67 VanDerWaalsContact C-N 3.26Å; A65-H67 PolarHBondContact O-N 3.43Å; H67-R70 WeakPolarHBondContact O-CB 3.47Å; H67-R70 PolarHBondContact O-N 3.36Å; H67-R70 VanDerWaalsContact O-N 3.16Å; H67-E71 WeakPolarHBondContact O-CG 3.42Å; H67-E71 PolarHBondContact O-N 3.32Å
68	E	98.5	Very high	98.7	Very high	84 Å²	84	49.6 Å²	49.6	39%	0.393	23%	0.227	S	C	.	.	H	α-helix	trans	-59.5	-46.5	178.1	-172.5	166.1	-162	0	0	111.1	K64 A65 R70 E71 H72	K64-E68 WeakPolarHBondContact O-CB 3.43Å; K64-E68 PolarHBondContact O-N 2.92Å; A65-E68 PolarHBondContact O-N 3.5Å; E68-R70 VanDerWaalsContact C-N 3.26Å; E68-R70 PolarHBondContact O-N 3.34Å; E68-E71 CarbonylContact O-C 3.54Å; E68-E71 WeakPolarHBondContact O-CA 3.49Å; E68-E71 WeakPolarHBondContact O-CB 3.43Å; E68-E71 PolarHBondContact O-N 2.83Å; E68-H72 PolarHBondContact O-N 2.84Å
69	E	98.8	Very high	98.7	Very high	7 Å²	7	50.3 Å²	50.3	3%	0.033	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-32.9	175.3	-59.7	-50	163.6	0	0	113.2	E34 A37 A38 Y41 A65 E71 H72 A73	E34-E69 WeakPolarHBondContact CB-O 3.47Å; A37-E69 HydrophobicContact CB-CB 4.21Å; A37-E69 HydrophobicContact CB-CG 3.84Å; A38-E69 HydrophobicContact CB-CB 3.85Å; Y41-E69 HydrophobicContact CD2-CG 3.84Å; Y41-E69 HydrophobicContact CE2-CG 4Å; A65-E69 WeakPolarHBondContact O-CG 3.35Å; A65-E69 PolarHBondContact O-N 2.99Å; E69-E71 VanDerWaalsContact C-N 3.34Å; E69-H72 WeakPolarHBondContact O-CB 3.36Å; E69-H72 PolarHBondContact O-N 2.92Å; E69-H72 IonicContact OE2-CE1 3.85Å; E69-H72 IonicContact OE2-CG 3.84Å; E69-H72 IonicContact OE2-ND1 2.65Å; E69-H72 PolarHBondContact OE2-ND1 2.93Å; E69-A73 PolarHBondContact O-N 3.12Å
70	R	98.8	Very high	98.7	Very high	122 Å²	122	50 Å²	50	46%	0.46	23%	0.227	S	C	.	.	H	α-helix	trans	-67.8	-38.1	172.4	-173.9	172.9	62.7	-167.6	-6.5	111.3	A38 S66 H67 E68 H72 A73 E74	A38-R70 HydrophobicContact CB-CB 4.23Å; S66-R70 PolarHBondContact O-N 3.2Å; H67-R70 WeakPolarHBondContact O-CB 3.47Å; H67-R70 PolarHBondContact O-N 3.36Å; H67-R70 VanDerWaalsContact O-N 3.16Å; E68-R70 VanDerWaalsContact C-N 3.26Å; E68-R70 PolarHBondContact O-N 3.34Å; R70-H72 VanDerWaalsContact C-N 3.34Å; R70-A73 WeakPolarHBondContact O-CB 3.43Å; R70-A73 PolarHBondContact O-N 2.95Å; R70-E74 WeakPolarHBondContact O-CG 3.35Å; R70-E74 PolarHBondContact O-N 2.99Å
71	E	98.8	Very high	98.7	Very high	129 Å²	129	51.9 Å²	51.9	60%	0.603	24%	0.239	S	C	*	.	H	α-helix	trans	-64.9	-37.8	174.3	-69.7	-175.2	178.2	0	0	111.6	H67 E68 E69 E74 N75	H67-E71 WeakPolarHBondContact O-CG 3.42Å; H67-E71 PolarHBondContact O-N 3.32Å; E68-E71 CarbonylContact O-C 3.54Å; E68-E71 WeakPolarHBondContact O-CA 3.49Å; E68-E71 WeakPolarHBondContact O-CB 3.43Å; E68-E71 PolarHBondContact O-N 2.83Å; E69-E71 VanDerWaalsContact C-N 3.34Å; E71-E74 PolarHBondContact O-N 3.02Å; E71-N75 WeakPolarHBondContact O-CB 3.42Å; E71-N75 PolarHBondContact O-N 3.36Å
72	H	98.8	Very high	98.7	Very high	15 Å²	15	57.9 Å²	57.9	7%	0.069	27%	0.265	C	S	.	.	H	α-helix	trans	-58	-48.9	170.6	-64	160.5	0	0	0	111.7	E34 E68 E69 R70 E74 N75 L76 Y144 E147	E34-H72 HydrophobicContact CB-CB 4.24Å; E34-H72 HydrophobicContact CG-CB 3.87Å; E68-H72 PolarHBondContact O-N 2.84Å; E69-H72 WeakPolarHBondContact O-CB 3.36Å; E69-H72 PolarHBondContact O-N 2.92Å; E69-H72 IonicContact OE2-CE1 3.85Å; E69-H72 IonicContact OE2-CG 3.84Å; E69-H72 IonicContact OE2-ND1 2.65Å; E69-H72 PolarHBondContact OE2-ND1 2.93Å; R70-H72 VanDerWaalsContact C-N 3.34Å; H72-E74 VanDerWaalsContact C-N 3.32Å; H72-E74 PolarHBondContact O-N 3.24Å; H72-N75 PolarHBondContact O-N 3.24Å; H72-L76 WeakPolarHBondContact O-CG 3.48Å; H72-L76 PolarHBondContact O-N 3.47Å; H72-Y144 HydrophobicContact CB-CE1 4.07Å; H72-E147 IonicContact CE1-OE1 2.59Å; H72-E147 IonicContact NE2-OE1 2.6Å; H72-E147 PolarHBondContact NE2-OE1 3.03Å; H72-E147 IonicContact NE2-OE2 2.68Å
73	A	98.9	Very high	98.7	Very high	4 Å²	4	59.1 Å²	59.1	3%	0.033	27%	0.27	C	S	.	.	H	α-helix	trans	-57.8	-43.8	176	0	0	0	0	0	112.3	E34 L35 E69 R70 A77	E34-A73 HydrophobicContact CB-CB 3.84Å; L35-A73 HydrophobicContact CD2-CB 3.75Å; L35-A73 HydrophobicContact CG-CB 3.76Å; E69-A73 PolarHBondContact O-N 3.12Å; R70-A73 WeakPolarHBondContact O-CB 3.43Å; R70-A73 PolarHBondContact O-N 2.95Å; A73-A77 WeakPolarHBondContact O-CB 3.37Å; A73-A77 PolarHBondContact O-N 3.16Å
74	E	98.9	Very high	98.7	Very high	118 Å²	118	55 Å²	55	55%	0.551	25%	0.254	S	S	*	.	H	α-helix	trans	-66.2	-40.1	178.3	-73.4	179.9	-164.7	0	0	112.1	R70 E71 H72 A77 K78	R70-E74 WeakPolarHBondContact O-CG 3.35Å; R70-E74 PolarHBondContact O-N 2.99Å; E71-E74 PolarHBondContact O-N 3.02Å; H72-E74 VanDerWaalsContact C-N 3.32Å; H72-E74 PolarHBondContact O-N 3.24Å; E74-A77 PolarHBondContact O-N 3.01Å; E74-K78 WeakPolarHBondContact O-CB 3.45Å; E74-K78 PolarHBondContact O-N 3.47Å
75	N	98.9	Very high	98.7	Very high	49 Å²	49	51.6 Å²	51.6	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-64.8	-44.4	177.2	-170.4	31.7	0	0	0	111.3	E71 H72 K78 Y79 Y144	E71-N75 WeakPolarHBondContact O-CB 3.42Å; E71-N75 PolarHBondContact O-N 3.36Å; H72-N75 PolarHBondContact O-N 3.24Å; N75-K78 PolarHBondContact O-N 2.82Å; N75-Y79 WeakPolarHBondContact O-CB 3.38Å; N75-Y79 PolarHBondContact O-N 3.44Å; N75-Y144 WeakPolarHBondContact CB-OH 3.42Å; N75-Y144 PolarHBondContact ND2-OH 3.04Å
76	L	98.9	Very high	98.6	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-46.2	172.2	-73.5	164.6	0	0	0	111.7	I27 Q30 I31 E34 H72 K78 Y79 Q80 F139 Y144	I27-L76 HydrophobicContact CG2-CB 4.35Å; I27-L76 HydrophobicContact CG2-CD2 4.45Å; Q30-L76 HydrophobicContact CB-CD1 3.97Å; Q30-L76 HydrophobicContact CG-CD1 3.51Å; Q30-L76 HydrophobicContact CG-CD2 4.43Å; I31-L76 HydrophobicContact CD1-CB 4.19Å; I31-L76 HydrophobicContact CG1-CB 3.49Å; I31-L76 VanDerWaalsContact CG1-CB 3.49Å; I31-L76 HydrophobicContact CG1-CD1 4.27Å; I31-L76 HydrophobicContact CG1-CG 4.49Å; E34-L76 HydrophobicContact CG-CD1 3.7Å; H72-L76 WeakPolarHBondContact O-CG 3.48Å; H72-L76 PolarHBondContact O-N 3.47Å; L76-K78 VanDerWaalsContact C-N 3.33Å; L76-K78 PolarHBondContact O-N 3.38Å; L76-Y79 PolarHBondContact O-N 3.36Å; L76-Q80 WeakPolarHBondContact O-CB 3.33Å; L76-Q80 PolarHBondContact O-N 3.36Å; L76-F139 HydrophobicContact CD2-CE1 4.09Å; L76-Y144 HydrophobicContact CD1-CE1 4.39Å; L76-Y144 HydrophobicContact CD2-CE1 4.42Å; L76-Y144 HydrophobicContact CD2-CE2 4.18Å; L76-Y144 HydrophobicContact CG-CE1 4.11Å; L76-Y144 WeakPolarHBondContact CG-OH 3.45Å; L76-Y144 PolarHBondContact N-OH 3.24Å
77	A	98.9	Very high	98.6	Very high	13 Å²	13	57.8 Å²	57.8	11%	0.107	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-39.8	178.1	0	0	0	0	0	112.3	I31 A73 E74 Q80 N81 V87	I31-A77 HydrophobicContact CD1-CB 4.06Å; A73-A77 WeakPolarHBondContact O-CB 3.37Å; A73-A77 PolarHBondContact O-N 3.16Å; E74-A77 PolarHBondContact O-N 3.01Å; A77-Q80 WeakPolarHBondContact O-CB 3.48Å; A77-N81 PolarHBondContact O-N 3.1Å; A77-N81 VanDerWaalsContact O-N 3.11Å; A77-N81 PolarHBondContact O-ND2 2.95Å; A77-V87 HydrophobicContact CB-CG2 3.87Å
78	K	98.9	Very high	98.6	Very high	158 Å²	158	59.1 Å²	59.1	69%	0.687	27%	0.269	S	S	*	.	H	α-helix	trans	-65	-43.8	174.5	-175.3	179.6	179.5	-177.9	0	111.2	E74 N75 L76 N81 K82	E74-K78 WeakPolarHBondContact O-CB 3.45Å; E74-K78 PolarHBondContact O-N 3.47Å; N75-K78 PolarHBondContact O-N 2.82Å; L76-K78 VanDerWaalsContact C-N 3.33Å; L76-K78 PolarHBondContact O-N 3.38Å; K78-N81 PolarHBondContact O-N 3.16Å; K78-K82 WeakPolarHBondContact O-CB 3.4Å; K78-K82 PolarHBondContact O-N 2.86Å
79	Y	98.9	Very high	98.6	Very high	15 Å²	15	62.8 Å²	62.8	6%	0.059	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-44.7	176.6	-175.1	-93.7	0	0	0	112.2	I27 N75 L76 N81 K82 R83 A135 L136 F139	I27-Y79 HydrophobicContact CD1-CD1 4.2Å; I27-Y79 HydrophobicContact CD1-CE1 4.36Å; N75-Y79 WeakPolarHBondContact O-CB 3.38Å; N75-Y79 PolarHBondContact O-N 3.44Å; L76-Y79 PolarHBondContact O-N 3.36Å; Y79-N81 VanDerWaalsContact C-N 3.33Å; Y79-N81 PolarHBondContact O-N 3.23Å; Y79-K82 WeakPolarHBondContact O-CB 3.43Å; Y79-K82 PolarHBondContact O-N 3.47Å; Y79-K82 VanDerWaalsContact O-N 3.12Å; Y79-R83 HydrophobicContact CD1-CG 4Å; Y79-R83 HydrophobicContact CE1-CG 3.48Å; Y79-R83 VanDerWaalsContact CE1-CG 3.48Å; Y79-R83 HydrophobicContact CE2-CG 4.16Å; Y79-R83 WeakPolarHBondContact O-CG 3.25Å; Y79-R83 PolarHBondContact O-N 2.95Å; Y79-R83 PolarHBondContact OH-NH1 2.85Å; Y79-A135 VanDerWaalsContact OH-C 3.25Å; Y79-A135 PolarHBondContact OH-O 2.86Å; Y79-L136 HydrophobicContact CD1-CD1 4.38Å; Y79-L136 HydrophobicContact CE1-CB 4.49Å; Y79-L136 HydrophobicContact CE1-CD1 3.68Å; Y79-L136 VanDerWaalsContact OH-CA 3.32Å; Y79-L136 WeakPolarHBondContact OH-CA 3.47Å; Y79-L136 PolarHBondContact OH-N 3.18Å; Y79-F139 VanDerWaalsContact CB-CZ 3.41Å; Y79-F139 AromaticContact CD1-CD1 3.77Å; Y79-F139 HydrophobicContact CD1-CD1 3.77Å; Y79-F139 AromaticContact CD1-CE1 3.8Å; Y79-F139 HydrophobicContact CD1-CE1 3.8Å; Y79-F139 HydrophobicContact CD1-CG 4.28Å; Y79-F139 HydrophobicContact CD1-CZ 4.36Å; Y79-F139 HydrophobicContact CD2-CB 4.27Å; Y79-F139 AromaticContact CD2-CD1 3.83Å; Y79-F139 HydrophobicContact CD2-CD1 3.83Å; Y79-F139 AromaticContact CD2-CD2 3.42Å; Y79-F139 HydrophobicContact CD2-CD2 3.42Å; Y79-F139 VanDerWaalsContact CD2-CD2 3.42Å; Y79-F139 AromaticContact CD2-CE1 3.94Å; Y79-F139 HydrophobicContact CD2-CE1 3.94Å; Y79-F139 AromaticContact CD2-CE2 3.55Å; Y79-F139 HydrophobicContact CD2-CE2 3.55Å; Y79-F139 AromaticContact CD2-CG 3.56Å; Y79-F139 HydrophobicContact CD2-CG 3.56Å; Y79-F139 AromaticContact CD2-CZ 3.81Å; Y79-F139 HydrophobicContact CD2-CZ 3.81Å; Y79-F139 HydrophobicContact CE1-CB 4.48Å; Y79-F139 AromaticContact CE1-CD1 3.96Å; Y79-F139 HydrophobicContact CE1-CD1 3.96Å; Y79-F139 HydrophobicContact CE1-CE1 4.45Å; Y79-F139 HydrophobicContact CE1-CG 4.25Å; Y79-F139 HydrophobicContact CE2-CB 3.71Å; Y79-F139 HydrophobicContact CE2-CD1 4.02Å; Y79-F139 AromaticContact CE2-CD2 3.69Å; Y79-F139 HydrophobicContact CE2-CD2 3.69Å; Y79-F139 HydrophobicContact CE2-CE2 4.3Å; Y79-F139 AromaticContact CE2-CG 3.52Å; Y79-F139 HydrophobicContact CE2-CG 3.52Å; Y79-F139 AromaticContact CG-CD1 3.7Å; Y79-F139 HydrophobicContact CG-CD1 3.7Å; Y79-F139 HydrophobicContact CG-CD2 4.04Å; Y79-F139 AromaticContact CG-CE1 3.51Å; Y79-F139 HydrophobicContact CG-CE1 3.51Å; Y79-F139 AromaticContact CG-CE2 3.87Å; Y79-F139 HydrophobicContact CG-CE2 3.87Å; Y79-F139 AromaticContact CG-CG 3.95Å; Y79-F139 HydrophobicContact CG-CG 3.95Å; Y79-F139 AromaticContact CG-CZ 3.6Å; Y79-F139 HydrophobicContact CG-CZ 3.6Å; Y79-F139 AromaticContact CZ-CG 3.86Å
80	Q	98.8	Very high	98.5	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-51.7	-51.3	174.1	-177	77.8	-22	0	0	111.3	F19 E24 I27 N28 L76 A77 R83 G84 G85 R86 V87	F19-Q80 VanDerWaalsContact CZ-OE1 3.3Å; E24-Q80 VanDerWaalsContact CG-NE2 3.3Å; E24-Q80 PolarHBondContact O-NE2 3.01Å; I27-Q80 VanDerWaalsContact CD1-OE1 3.31Å; I27-Q80 HydrophobicContact CG2-CB 4Å; I27-Q80 HydrophobicContact CG2-CG 4.38Å; N28-Q80 PolarHBondContact OD1-NE2 2.98Å; L76-Q80 WeakPolarHBondContact O-CB 3.33Å; L76-Q80 PolarHBondContact O-N 3.36Å; A77-Q80 WeakPolarHBondContact O-CB 3.48Å; Q80-R83 PolarHBondContact O-N 2.87Å; Q80-G84 PolarHBondContact O-N 3.22Å; Q80-G85 WeakPolarHBondContact O-CA 3.48Å; Q80-G85 PolarHBondContact O-N 3.16Å; Q80-R86 PolarHBondContact NE2-O 3.26Å; Q80-V87 HydrophobicContact CB-CG2 4.19Å; Q80-V87 HydrophobicContact CG-CG2 4Å
81	N	98.5	Very high	98.5	Very high	89 Å²	89	67.3 Å²	67.3	48%	0.476	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-41	178.3	-74.7	-36.5	0	0	0	111.9	A77 K78 Y79 R83 G84	A77-N81 PolarHBondContact O-N 3.1Å; A77-N81 VanDerWaalsContact O-N 3.11Å; A77-N81 PolarHBondContact O-ND2 2.95Å; K78-N81 PolarHBondContact O-N 3.16Å; Y79-N81 VanDerWaalsContact C-N 3.33Å; Y79-N81 PolarHBondContact O-N 3.23Å; N81-R83 VanDerWaalsContact C-N 3.29Å; N81-R83 PolarHBondContact O-N 3.49Å; N81-G84 PolarHBondContact O-N 3.28Å
82	K	98.5	Very high	98.4	Very high	155 Å²	155	64.9 Å²	64.9	67%	0.674	31%	0.31	S	S	*	.	H	α-helix	trans	-57	-40.6	176	178.2	-175.2	175.8	-174.9	0	111.9	K78 Y79 G84	K78-K82 WeakPolarHBondContact O-CB 3.4Å; K78-K82 PolarHBondContact O-N 2.86Å; Y79-K82 WeakPolarHBondContact O-CB 3.43Å; Y79-K82 PolarHBondContact O-N 3.47Å; Y79-K82 VanDerWaalsContact O-N 3.12Å; K82-G84 PolarHBondContact O-N 3.1Å
83	R	98.3	Very high	98.4	Very high	26 Å²	26	71.7 Å²	71.7	10%	0.098	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	0.8	178.5	-64.4	-61.9	-57.7	-71.7	-5.3	114	R16 Q17 N18 F19 Y79 Q80 N81 D133	R16-R83 WeakPolarHBondContact CA-O 3.4Å; Q17-R83 PolarHBondContact O-NH2 3.2Å; N18-R83 PolarHBondContact O-NH2 3.11Å; F19-R83 HydrophobicContact CD1-CB 3.75Å; F19-R83 WeakPolarHBondContact CD1-O 3.13Å; F19-R83 HydrophobicContact CD2-CB 4.02Å; F19-R83 HydrophobicContact CD2-CG 4.43Å; F19-R83 HydrophobicContact CE1-CB 3.83Å; F19-R83 HydrophobicContact CE2-CB 4.11Å; F19-R83 HydrophobicContact CE2-CG 4.43Å; F19-R83 HydrophobicContact CG-CB 3.84Å; F19-R83 HydrophobicContact CZ-CB 4.02Å; Y79-R83 HydrophobicContact CD1-CG 4Å; Y79-R83 HydrophobicContact CE1-CG 3.48Å; Y79-R83 VanDerWaalsContact CE1-CG 3.48Å; Y79-R83 HydrophobicContact CE2-CG 4.16Å; Y79-R83 WeakPolarHBondContact O-CG 3.25Å; Y79-R83 PolarHBondContact O-N 2.95Å; Y79-R83 PolarHBondContact OH-NH1 2.85Å; Q80-R83 PolarHBondContact O-N 2.87Å; N81-R83 VanDerWaalsContact C-N 3.29Å; N81-R83 PolarHBondContact O-N 3.49Å; R83-D133 IonicContact CZ-OD1 3.87Å; R83-D133 IonicContact CZ-OD2 3.58Å; R83-D133 VanDerWaalsContact CZ-OD2 3.26Å; R83-D133 IonicContact NH1-OD1 2.74Å; R83-D133 PolarHBondContact NH1-OD1 3.13Å; R83-D133 VanDerWaalsContact NH1-OD1 3.08Å; R83-D133 IonicContact NH1-OD2 3.08Å; R83-D133 PolarHBondContact NH1-OD2 3.45Å; R83-D133 IonicContact NH2-OD1 3.56Å; R83-D133 PolarHBondContact NH2-OD1 3.39Å; R83-D133 IonicContact NH2-OD2 3.24Å; R83-D133 PolarHBondContact NH2-OD2 3.26Å
84	G	98	Very high	98.3	Very high	1 Å²	1	76.2 Å²	76.2	1%	0.01	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	16.5	-179	0	0	0	0	0	114.7	S13 R16 Q80 N81 K82 R86	S13-G84 VanDerWaalsContact CB-O 3.22Å; S13-G84 WeakPolarHBondContact CB-O 3.28Å; S13-G84 VanDerWaalsContact OG-CA 3.28Å; S13-G84 WeakPolarHBondContact OG-CA 3.22Å; S13-G84 PolarHBondContact OG-O 3.46Å; R16-G84 PolarHBondContact NH2-O 3.31Å; Q80-G84 PolarHBondContact O-N 3.22Å; N81-G84 PolarHBondContact O-N 3.28Å; K82-G84 PolarHBondContact O-N 3.1Å; G84-R86 PolarHBondContact O-NH1 3.16Å
85	G	98.2	Very high	98.2	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.351	C	S	.	.			trans	-75.1	177.6	167.3	0	0	0	0	0	113.2	E24 Q80	E24-G85 WeakPolarHBondContact OE1-CA 2.88Å; Q80-G85 WeakPolarHBondContact O-CA 3.48Å; Q80-G85 PolarHBondContact O-N 3.16Å
86	R	97.9	Very high	97.9	Very high	121 Å²	121	76.3 Å²	76.3	46%	0.457	38%	0.381	S	S	.	.			trans	-125.9	129.6	171.7	-60.7	-62.8	177.4	-93.1	-1.5	108.9	E24 N28 Q80 G84	E24-R86 PolarHBondContact OE1-N 3.24Å; N28-R86 PolarHBondContact ND2-O 3.41Å; N28-R86 PolarHBondContact OD1-O 2.73Å; Q80-R86 PolarHBondContact NE2-O 3.26Å; G84-R86 PolarHBondContact O-NH1 3.16Å
87	V	98.5	Very high	97.7	Very high	32 Å²	32	79.3 Å²	79.3	19%	0.194	39%	0.394	C	S	.	.			trans	-68.9	130	172.2	-178.7	0	0	0	0	108.6	N28 I31 A77 Q80 Y89	N28-V87 VanDerWaalsContact OD1-CA 3.27Å; N28-V87 WeakPolarHBondContact OD1-CA 3.44Å; I31-V87 HydrophobicContact CD1-CG1 4.14Å; I31-V87 HydrophobicContact CD1-CG2 4.25Å; A77-V87 HydrophobicContact CB-CG2 3.87Å; Q80-V87 HydrophobicContact CB-CG2 4.19Å; Q80-V87 HydrophobicContact CG-CG2 4Å; V87-Y89 HydrophobicContact CG1-CD1 4.3Å; V87-Y89 HydrophobicContact CG1-CD2 4.34Å; V87-Y89 HydrophobicContact CG1-CE1 3.79Å; V87-Y89 HydrophobicContact CG1-CE2 3.84Å
88	Q	98.4	Very high	97.6	Very high	103 Å²	103	82.3 Å²	82.3	48%	0.481	41%	0.411	S	S	.	.			trans	-127	114.3	173.7	-60	-174.9	18.1	0	0	108.3	N28	N28-Q88 PolarHBondContact OD1-N 3.28Å
89	Y	97.2	Very high	97.5	Very high	161 Å²	161	79.8 Å²	79.8	63%	0.631	40%	0.401	S	S	*	.			trans	-81.1	145.8	178.2	-61	-73.2	0	0	0	110.7	I31 L35 V87	I31-Y89 HydrophobicContact CG2-CE1 4.25Å; L35-Y89 HydrophobicContact CD1-CD1 3.96Å; L35-Y89 HydrophobicContact CD1-CE1 4.01Å; V87-Y89 HydrophobicContact CG1-CD1 4.3Å; V87-Y89 HydrophobicContact CG1-CD2 4.34Å; V87-Y89 HydrophobicContact CG1-CE1 3.79Å; V87-Y89 HydrophobicContact CG1-CE2 3.84Å
90	S	97.3	Very high	97.5	Very high	79 Å²	79	79.6 Å²	79.6	55%	0.552	40%	0.401	S	S	*	.			trans	-117.3	175.5	170.9	-57.6	0	0	0	0	109.6	N32 I92	N32-S90 WeakPolarHBondContact OD1-CB 3.41Å; N32-S90 PolarHBondContact OD1-N 2.93Å; N32-S90 PolarHBondContact OD1-O 3.43Å; N32-S90 VanDerWaalsContact OD1-O 3.1Å; S90-I92 PolarHBondContact O-N 2.85Å
91	D	98.3	Very high	97.4	Very high	145 Å²	145	84.2 Å²	84.2	78%	0.775	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-64	134.9	177.6	-63.8	-25	0	0	0	110.9
92	I	98.1	Very high	97.3	Very high	77 Å²	77	82.1 Å²	82.1	40%	0.395	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-94.1	122.5	166.8	-56.2	176.6	0	0	0	106.9	L35 Y39 S90	L35-I92 HydrophobicContact CB-CD1 3.8Å; L35-I92 HydrophobicContact CB-CG1 4.45Å; Y39-I92 HydrophobicContact CD1-CG2 3.5Å; Y39-I92 HydrophobicContact CE1-CG2 4.29Å; Y39-I92 HydrophobicContact CG-CG2 4.24Å; S90-I92 PolarHBondContact O-N 2.85Å
93	K	97.6	Very high	97.3	Very high	159 Å²	159	74.8 Å²	74.8	69%	0.691	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-82	154.3	-180	-65.3	-177.9	-178.7	176.6	0	109.9	Q36 Y39	Q36-K93 PolarHBondContact NE2-O 3.49Å; Q36-K93 PolarHBondContact OE1-O 2.67Å; Y39-K93 WeakPolarHBondContact CD1-O 3.33Å
94	C	97.8	Very high	97.3	Very high	99 Å²	99	74.5 Å²	74.5	67%	0.669	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-57.8	141	170.1	-61	0	0	0	0	110.1	T96	C94-T96 PolarHBondContact O-N 3.18Å
95	P	97.1	Very high	97.3	Very high	21 Å²	21	76.1 Å²	76.1	14%	0.136	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-55.1	132.3	175	-27	36.4	0	0	0	110.6	Y39 D40 A43 K97 V98	Y39-P95 HydrophobicContact CD1-CG 4.09Å; Y39-P95 HydrophobicContact CD2-CG 4.45Å; Y39-P95 HydrophobicContact CE1-CG 4.26Å; Y39-P95 HydrophobicContact CG-CG 4.22Å; D40-P95 VanDerWaalsContact OD1-CA 3.31Å; D40-P95 WeakPolarHBondContact OD1-CA 3.37Å; D40-P95 WeakPolarHBondContact OD1-CB 3.3Å; D40-P95 WeakPolarHBondContact OD1-CG 3.31Å; A43-P95 HydrophobicContact CB-CB 3.88Å; A43-P95 HydrophobicContact CB-CG 4.01Å; P95-K97 VanDerWaalsContact C-N 3.32Å; P95-V98 HydrophobicContact CB-CG1 4.02Å
96	T	91.3	Very high	97.3	Very high	147 Å²	147	76.1 Å²	76.1	90%	0.902	40%	0.4	S	S	*	.	S	Bend	trans	-79.2	-21.7	-179.1	55.6	0	0	0	0	112.2	C94	C94-T96 PolarHBondContact O-N 3.18Å
97	K	94.8	Very high	97.3	Very high	64 Å²	64	70.3 Å²	70.3	28%	0.278	38%	0.378	S	S	.	.			trans	-122.3	106.9	178.9	-169.1	141	-175.2	170.4	0	110.5	P95 E99 F100 D105 T109	P95-K97 VanDerWaalsContact C-N 3.32Å; K97-E99 WeakPolarHBondContact CE-O 3.46Å; K97-F100 HydrophobicContact CD-CD1 4.42Å; K97-F100 HydrophobicContact CD-CE1 4.11Å; K97-F100 HydrophobicContact CG-CD1 4.23Å; K97-F100 HydrophobicContact CG-CE1 3.7Å; K97-F100 HydrophobicContact CG-CZ 3.95Å; K97-D105 WeakPolarHBondContact CE-OD2 3.43Å; K97-D105 IonicContact NZ-OD1 2.6Å; K97-D105 PolarHBondContact NZ-OD1 3.32Å; K97-D105 IonicContact NZ-OD2 2.76Å; K97-D105 PolarHBondContact NZ-OD2 2.52Å; K97-T109 HydrophobicContact CB-CG2 4.45Å; K97-T109 HydrophobicContact CD-CG2 3.95Å; K97-T109 HydrophobicContact CG-CG2 4.42Å
98	V	97	Very high	97.3	Very high	76 Å²	76	71.7 Å²	71.7	46%	0.461	38%	0.384	S	S	.	.			trans	-121.9	-5.4	-178.7	-58.5	0	0	0	0	112.9	A43 P95	A43-V98 HydrophobicContact CB-CG1 3.98Å; P95-V98 HydrophobicContact CB-CG1 4.02Å
99	E	97.9	Very high	97.4	Very high	105 Å²	105	68 Å²	68	49%	0.491	37%	0.369	S	S	.	.			trans	-129.4	140.2	175.8	-62.6	-71.4	164.4	0	0	107.6	Y47 R50 K97	Y47-E99 HydrophobicContact CE2-CB 4.48Å; Y47-E99 WeakPolarHBondContact CE2-OE2 3.29Å; R50-E99 IonicContact CZ-OE1 3.23Å; R50-E99 IonicContact CZ-OE2 3.44Å; R50-E99 VanDerWaalsContact NH1-CD 3.31Å; R50-E99 IonicContact NH1-OE1 3.62Å; R50-E99 PolarHBondContact NH1-OE1 3.19Å; R50-E99 IonicContact NH1-OE2 3.82Å; R50-E99 PolarHBondContact NH1-OE2 3.33Å; K97-E99 WeakPolarHBondContact CE-O 3.46Å
100	F	98	Very high	97.4	Very high	11 Å²	11	60.4 Å²	60.4	5%	0.048	34%	0.339	C	S	.	.			trans	-123	149.6	178.9	-58.2	-91	0	0	0	109.6	F44 Y47 K97 A106 T109	F44-F100 HydrophobicContact CB-CE2 4.48Å; F44-F100 HydrophobicContact CB-CZ 4.42Å; F44-F100 HydrophobicContact CD1-CE1 4.01Å; F44-F100 HydrophobicContact CD1-CE2 4.36Å; F44-F100 AromaticContact CD1-CZ 3.65Å; F44-F100 HydrophobicContact CD1-CZ 3.65Å; F44-F100 HydrophobicContact CD2-CE1 4.36Å; F44-F100 HydrophobicContact CD2-CE2 4.17Å; F44-F100 AromaticContact CD2-CZ 3.46Å; F44-F100 HydrophobicContact CD2-CZ 3.46Å; F44-F100 VanDerWaalsContact CD2-CZ 3.46Å; F44-F100 AromaticContact CE1-CE1 3.69Å; F44-F100 HydrophobicContact CE1-CE1 3.69Å; F44-F100 AromaticContact CE1-CZ 3.71Å; F44-F100 HydrophobicContact CE1-CZ 3.71Å; F44-F100 HydrophobicContact CE2-CE1 4.1Å; F44-F100 AromaticContact CE2-CZ 3.54Å; F44-F100 HydrophobicContact CE2-CZ 3.54Å; F44-F100 HydrophobicContact CG-CE1 4.35Å; F44-F100 HydrophobicContact CG-CE2 4.06Å; F44-F100 AromaticContact CG-CZ 3.54Å; F44-F100 HydrophobicContact CG-CZ 3.54Å; F44-F100 AromaticContact CZ-CE1 3.76Å; F44-F100 HydrophobicContact CZ-CE1 3.76Å; F44-F100 AromaticContact CZ-CZ 3.68Å; F44-F100 HydrophobicContact CZ-CZ 3.68Å; Y47-F100 HydrophobicContact CD1-CB 4.23Å; Y47-F100 AromaticContact CD1-CD2 3.38Å; Y47-F100 HydrophobicContact CD1-CD2 3.38Å; Y47-F100 HydrophobicContact CD1-CE2 4.2Å; Y47-F100 HydrophobicContact CD1-CG 4.23Å; Y47-F100 HydrophobicContact CD2-CD2 4.24Å; Y47-F100 HydrophobicContact CE1-CB 3.72Å; Y47-F100 AromaticContact CE1-CD2 3.79Å; Y47-F100 HydrophobicContact CE1-CD2 3.79Å; Y47-F100 HydrophobicContact CE1-CG 4.22Å; Y47-F100 AromaticContact CG-CD2 3.64Å; Y47-F100 HydrophobicContact CG-CD2 3.64Å; Y47-F100 HydrophobicContact CG-CE2 4.21Å; Y47-F100 PolarHBondContact OH-O 3.34Å; K97-F100 HydrophobicContact CD-CD1 4.42Å; K97-F100 HydrophobicContact CD-CE1 4.11Å; K97-F100 HydrophobicContact CG-CD1 4.23Å; K97-F100 HydrophobicContact CG-CE1 3.7Å; K97-F100 HydrophobicContact CG-CZ 3.95Å; F100-A106 HydrophobicContact CD1-CB 3.66Å; F100-A106 HydrophobicContact CE1-CB 4.03Å; F100-A106 HydrophobicContact CG-CB 4.1Å; F100-T109 HydrophobicContact CE1-CG2 4.4Å
101	S	96	Very high	97.5	Very high	98 Å²	98	57.4 Å²	57.4	69%	0.685	32%	0.317	S	S	*	.	S	Bend	trans	-74.5	-36	172.8	52.7	0	0	0	0	111.9	D105	S101-D105 PolarHBondContact N-OD2 2.84Å; S101-D105 VanDerWaalsContact OG-CB 3.25Å; S101-D105 WeakPolarHBondContact OG-CB 3.31Å
102	D	96.8	Very high	97.5	Very high	45 Å²	45	54.2 Å²	54.2	24%	0.241	31%	0.306	C	S	.	.	S	Bend	trans	-171.5	-177.1	-175.7	68.1	-6.7	0	0	0	111	V104 D105 A106 Q171	D102-V104 VanDerWaalsContact C-N 3.26Å; D102-V104 PolarHBondContact O-N 3.11Å; D102-V104 WeakPolarHBondContact OD1-CB 3.34Å; D102-V104 PolarHBondContact OD1-N 3.46Å; D102-D105 PolarHBondContact O-N 3.18Å; D102-D105 PolarHBondContact OD1-N 2.99Å; D102-A106 PolarHBondContact O-N 3.48Å; D102-Q171 PolarHBondContact OD2-NE2 2.76Å; D102-Q171 VanDerWaalsContact OD2-NE2 3.08Å
103	L	98.2	Very high	97.5	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.6	-29.3	177.3	-70.8	174.5	0	0	0	112.9	F48 F55 A58 D105 A106 M107 T162 Q171 F174	F48-L103 HydrophobicContact CD1-CD2 4.3Å; F48-L103 HydrophobicContact CE1-CD2 3.55Å; F48-L103 HydrophobicContact CE1-CG 4.44Å; F48-L103 HydrophobicContact CZ-CD2 3.67Å; F55-L103 HydrophobicContact CD1-CD1 4.07Å; F55-L103 HydrophobicContact CD2-CD2 4.45Å; F55-L103 HydrophobicContact CD2-CG 4.44Å; F55-L103 HydrophobicContact CE1-CD1 3.93Å; F55-L103 HydrophobicContact CE1-CG 4.46Å; F55-L103 HydrophobicContact CE2-CG 4.36Å; F55-L103 HydrophobicContact CG-CD1 4.49Å; F55-L103 HydrophobicContact CG-CD2 4.4Å; F55-L103 HydrophobicContact CZ-CD1 4.25Å; F55-L103 HydrophobicContact CZ-CG 4.35Å; A58-L103 HydrophobicContact CB-CD2 3.89Å; L103-D105 VanDerWaalsContact C-N 3.33Å; L103-D105 PolarHBondContact O-N 3.49Å; L103-A106 PolarHBondContact O-N 3.46Å; L103-M107 HydrophobicContact CD2-CE 4.43Å; L103-M107 VanDerWaalsContact O-CG 3.22Å; L103-M107 WeakPolarHBondContact O-CG 3.43Å; L103-M107 PolarHBondContact O-N 2.74Å; L103-T162 HydrophobicContact CB-CG2 3.92Å; L103-Q171 HydrophobicContact CB-CG 4.13Å; L103-Q171 HydrophobicContact CD1-CB 3.9Å; L103-Q171 HydrophobicContact CD1-CG 4.04Å; L103-Q171 HydrophobicContact CG-CG 4.41Å; L103-F174 HydrophobicContact CD1-CD1 3.88Å
104	V	98.4	Very high	97.6	Very high	20 Å²	20	44.5 Å²	44.5	12%	0.121	26%	0.262	C	S	.	.	H	α-helix	trans	-62.4	-45.1	177.7	179.8	0	0	0	0	110	D102 M107 N108 N163	D102-V104 VanDerWaalsContact C-N 3.26Å; D102-V104 PolarHBondContact O-N 3.11Å; D102-V104 WeakPolarHBondContact OD1-CB 3.34Å; D102-V104 PolarHBondContact OD1-N 3.46Å; V104-M107 PolarHBondContact O-N 3.4Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.46Å; V104-N108 WeakPolarHBondContact O-CB 3.36Å; V104-N108 PolarHBondContact O-N 2.66Å; V104-N108 PolarHBondContact O-ND2 3.12Å; V104-N163 WeakPolarHBondContact CG1-ND2 3.46Å
105	D	98.5	Very high	97.7	Very high	35 Å²	35	44.5 Å²	44.5	19%	0.187	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-43.5	177.9	-175.2	30.3	0	0	0	112.6	K97 S101 D102 L103 N108 T109	K97-D105 WeakPolarHBondContact CE-OD2 3.43Å; K97-D105 IonicContact NZ-OD1 2.6Å; K97-D105 PolarHBondContact NZ-OD1 3.32Å; K97-D105 IonicContact NZ-OD2 2.76Å; K97-D105 PolarHBondContact NZ-OD2 2.52Å; S101-D105 PolarHBondContact N-OD2 2.84Å; S101-D105 VanDerWaalsContact OG-CB 3.25Å; S101-D105 WeakPolarHBondContact OG-CB 3.31Å; D102-D105 PolarHBondContact O-N 3.18Å; D102-D105 PolarHBondContact OD1-N 2.99Å; L103-D105 VanDerWaalsContact C-N 3.33Å; L103-D105 PolarHBondContact O-N 3.49Å; D105-N108 PolarHBondContact O-N 2.87Å; D105-T109 WeakPolarHBondContact O-CB 3.41Å; D105-T109 PolarHBondContact O-N 3.09Å; D105-T109 PolarHBondContact O-OG1 3.21Å
106	A	98.4	Very high	97.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-45.1	176.3	0	0	0	0	0	112.6	F44 F48 F62 F100 D102 L103 N108 T109 A110	F44-A106 HydrophobicContact CD1-CB 4.36Å; F44-A106 HydrophobicContact CE1-CB 4.37Å; F48-A106 HydrophobicContact CE2-CB 3.68Å; F48-A106 HydrophobicContact CZ-CB 3.44Å; F48-A106 VanDerWaalsContact CZ-CB 3.44Å; F62-A106 HydrophobicContact CZ-CB 4.49Å; F100-A106 HydrophobicContact CD1-CB 3.66Å; F100-A106 HydrophobicContact CE1-CB 4.03Å; F100-A106 HydrophobicContact CG-CB 4.1Å; D102-A106 PolarHBondContact O-N 3.48Å; L103-A106 PolarHBondContact O-N 3.46Å; A106-N108 VanDerWaalsContact C-N 3.34Å; A106-N108 PolarHBondContact O-N 3.43Å; A106-T109 PolarHBondContact O-N 3.02Å; A106-A110 WeakPolarHBondContact O-CB 3.5Å; A106-A110 PolarHBondContact O-N 2.88Å
107	M	98.5	Very high	98.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.2	-35.8	179	-61.2	-58.2	152.5	0	0	112.1	F62 L103 V104 L111 F155 Y158 V159 T162 F174 L179	F62-M107 HydrophobicContact CE2-CE 3.97Å; F62-M107 HydrophobicContact CZ-CE 3.79Å; F62-M107 HydrophobicContact CZ-SD 4.18Å; L103-M107 HydrophobicContact CD2-CE 4.43Å; L103-M107 VanDerWaalsContact O-CG 3.22Å; L103-M107 WeakPolarHBondContact O-CG 3.43Å; L103-M107 PolarHBondContact O-N 2.74Å; V104-M107 PolarHBondContact O-N 3.4Å; M107-L111 VanDerWaalsContact O-CB 3.27Å; M107-L111 WeakPolarHBondContact O-CB 3.41Å; M107-L111 PolarHBondContact O-N 3.4Å; M107-F155 HydrophobicContact SD-CD1 3.91Å; M107-F155 HydrophobicContact SD-CE1 4Å; M107-Y158 HydrophobicContact SD-CD2 3.78Å; M107-Y158 HydrophobicContact SD-CG 4.23Å; M107-V159 HydrophobicContact CB-CG2 3.73Å; M107-T162 HydrophobicContact CG-CG2 4.14Å; M107-F174 HydrophobicContact CE-CE1 4.2Å; M107-L179 HydrophobicContact CE-CD1 4.3Å; M107-L179 HydrophobicContact CE-CD2 4.35Å
108	N	98.7	Very high	98.3	Very high	61 Å²	61	36.8 Å²	36.8	33%	0.326	21%	0.211	S	C	.	.	H	α-helix	trans	-67.5	-37.8	173.2	-82	-70.3	0	0	0	112.4	V104 D105 A106 S112 V159	V104-N108 WeakPolarHBondContact CG1-ND2 3.46Å; V104-N108 WeakPolarHBondContact O-CB 3.36Å; V104-N108 PolarHBondContact O-N 2.66Å; V104-N108 PolarHBondContact O-ND2 3.12Å; D105-N108 PolarHBondContact O-N 2.87Å; A106-N108 VanDerWaalsContact C-N 3.34Å; A106-N108 PolarHBondContact O-N 3.43Å; N108-S112 WeakPolarHBondContact O-CB 3.33Å; N108-S112 PolarHBondContact O-N 3.49Å; N108-S112 VanDerWaalsContact O-N 3.08Å; N108-S112 PolarHBondContact O-OG 3.35Å; N108-V159 HydrophobicContact CB-CG2 4.37Å; N108-V159 WeakPolarHBondContact OD1-CG1 3.39Å
109	T	98.7	Very high	98.4	Very high	26 Å²	26	37.3 Å²	37.3	16%	0.16	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-49	177.3	-54.3	0	0	0	0	110	F44 K97 F100 D105 A106 L111 S112 M113	F44-T109 HydrophobicContact CE1-CG2 4.43Å; F44-T109 HydrophobicContact CE2-CG2 4.36Å; F44-T109 HydrophobicContact CZ-CG2 3.59Å; K97-T109 HydrophobicContact CB-CG2 4.45Å; K97-T109 HydrophobicContact CD-CG2 3.95Å; K97-T109 HydrophobicContact CG-CG2 4.42Å; F100-T109 HydrophobicContact CE1-CG2 4.4Å; D105-T109 WeakPolarHBondContact O-CB 3.41Å; D105-T109 PolarHBondContact O-N 3.09Å; D105-T109 PolarHBondContact O-OG1 3.21Å; A106-T109 PolarHBondContact O-N 3.02Å; T109-L111 PolarHBondContact O-N 2.83Å; T109-S112 WeakPolarHBondContact O-CB 3.48Å; T109-S112 PolarHBondContact O-N 3.04Å; T109-S112 VanDerWaalsContact O-N 3.14Å; T109-M113 HydrophobicContact CG2-SD 4.3Å; T109-M113 WeakPolarHBondContact O-CG 3.38Å; T109-M113 PolarHBondContact O-N 2.54Å
110	A	98.7	Very high	98.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.6	-46.5	175.8	0	0	0	0	0	112.1	Y41 F44 F62 A106 S112 M113 E114 F155	Y41-A110 HydrophobicContact CE1-CB 3.94Å; F44-A110 HydrophobicContact CE1-CB 4.18Å; F62-A110 HydrophobicContact CE1-CB 4.15Å; A106-A110 WeakPolarHBondContact O-CB 3.5Å; A106-A110 PolarHBondContact O-N 2.88Å; A110-S112 PolarHBondContact O-N 3.11Å; A110-M113 WeakPolarHBondContact O-CA 3.47Å; A110-M113 WeakPolarHBondContact O-CB 3.33Å; A110-M113 PolarHBondContact O-N 3.25Å; A110-E114 PolarHBondContact O-N 3.46Å; A110-F155 HydrophobicContact CB-CD1 3.6Å; A110-F155 HydrophobicContact CB-CD2 4.38Å; A110-F155 HydrophobicContact CB-CE1 3.36Å; A110-F155 HydrophobicContact CB-CE2 4.18Å; A110-F155 HydrophobicContact CB-CG 4.12Å; A110-F155 HydrophobicContact CB-CZ 3.68Å
111	L	98.8	Very high	98.4	Very high	17 Å²	17	33.1 Å²	33.1	9%	0.089	20%	0.195	C	C	.	.	H	α-helix	trans	-55.8	-37.8	174.9	-179.3	58.4	0	0	0	112.8	M107 T109 K115 I152 F155 A156 V159	M107-L111 VanDerWaalsContact O-CB 3.27Å; M107-L111 WeakPolarHBondContact O-CB 3.41Å; M107-L111 PolarHBondContact O-N 3.4Å; T109-L111 PolarHBondContact O-N 2.83Å; L111-K115 HydrophobicContact CD1-CD 4.45Å; L111-K115 HydrophobicContact CG-CD 4.47Å; L111-K115 WeakPolarHBondContact O-CG 3.33Å; L111-K115 PolarHBondContact O-N 3.25Å; L111-I152 HydrophobicContact CD1-CG2 4.03Å; L111-I152 WeakPolarHBondContact CD1-O 3.42Å; L111-F155 HydrophobicContact CB-CB 3.91Å; L111-F155 HydrophobicContact CD1-CB 4Å; L111-A156 HydrophobicContact CD1-CB 4.26Å; L111-A156 HydrophobicContact CD2-CB 4.3Å; L111-V159 HydrophobicContact CD2-CG2 4.22Å
112	S	98.8	Very high	98.6	Very high	77 Å²	77	32.3 Å²	32.3	54%	0.538	18%	0.183	S	C	.	.	H	α-helix	trans	-72.2	-36.9	178.5	-57.8	0	0	0	0	111.7	N108 T109 A110 A116	N108-S112 WeakPolarHBondContact O-CB 3.33Å; N108-S112 PolarHBondContact O-N 3.49Å; N108-S112 VanDerWaalsContact O-N 3.08Å; N108-S112 PolarHBondContact O-OG 3.35Å; T109-S112 WeakPolarHBondContact O-CB 3.48Å; T109-S112 PolarHBondContact O-N 3.04Å; T109-S112 VanDerWaalsContact O-N 3.14Å; A110-S112 PolarHBondContact O-N 3.11Å; S112-A116 PolarHBondContact O-N 2.92Å; S112-A116 VanDerWaalsContact O-N 3.13Å
113	M	98.5	Very high	98.7	Very high	30 Å²	30	36.2 Å²	36.2	15%	0.148	20%	0.197	C	C	.	.	H	α-helix	trans	-62.7	-50.8	173.8	-69.6	167.2	56.2	0	0	110.8	D40 Y41 F44 T109 A110 K115 A116 V117	D40-M113 HydrophobicContact CB-CE 3.53Å; D40-M113 HydrophobicContact CB-SD 4.36Å; Y41-M113 HydrophobicContact CD1-CE 4.26Å; Y41-M113 HydrophobicContact CD2-CE 4.33Å; Y41-M113 HydrophobicContact CE1-CE 4.04Å; Y41-M113 HydrophobicContact CE1-SD 4.49Å; Y41-M113 HydrophobicContact CE2-CE 4.12Å; Y41-M113 HydrophobicContact CG-CE 4.39Å; F44-M113 HydrophobicContact CE2-SD 3.87Å; F44-M113 HydrophobicContact CZ-SD 3.66Å; T109-M113 HydrophobicContact CG2-SD 4.3Å; T109-M113 WeakPolarHBondContact O-CG 3.38Å; T109-M113 PolarHBondContact O-N 2.54Å; A110-M113 WeakPolarHBondContact O-CA 3.47Å; A110-M113 WeakPolarHBondContact O-CB 3.33Å; A110-M113 PolarHBondContact O-N 3.25Å; M113-K115 VanDerWaalsContact C-N 3.3Å; M113-K115 PolarHBondContact O-N 2.68Å; M113-A116 WeakPolarHBondContact O-CA 3.31Å; M113-A116 WeakPolarHBondContact O-CB 3.47Å; M113-A116 PolarHBondContact O-N 2.9Å; M113-V117 WeakPolarHBondContact O-CG2 3.41Å; M113-V117 PolarHBondContact O-N 2.93Å
114	E	98.7	Very high	98.7	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-39.1	-178.8	-66.7	-45.1	137.4	0	0	113.2	Y41 A110 A116 V117 N118 Q148 A151 I152 F155	Y41-E114 WeakPolarHBondContact CE2-OE1 3.34Å; Y41-E114 PolarHBondContact OH-OE1 2.88Å; A110-E114 PolarHBondContact O-N 3.46Å; E114-A116 VanDerWaalsContact C-N 3.34Å; E114-A116 PolarHBondContact O-N 3.5Å; E114-V117 PolarHBondContact O-N 3.43Å; E114-N118 WeakPolarHBondContact O-CB 3.26Å; E114-N118 PolarHBondContact O-N 3.12Å; E114-Q148 PolarHBondContact O-NE2 2.88Å; E114-Q148 PolarHBondContact OE2-NE2 3.44Å; E114-A151 HydrophobicContact CG-CB 4.29Å; E114-I152 HydrophobicContact CB-CG1 3.9Å; E114-F155 HydrophobicContact CG-CD2 3.68Å; E114-F155 HydrophobicContact CG-CE2 3.79Å
115	K	98.9	Very high	98.7	Very high	99 Å²	99	37.3 Å²	37.3	43%	0.43	20%	0.201	S	C	.	.	H	α-helix	trans	-64.1	-39.2	173.7	-75.5	177.5	176.8	177.8	0	112.1	L111 M113 N118 D119 I152	L111-K115 HydrophobicContact CD1-CD 4.45Å; L111-K115 HydrophobicContact CG-CD 4.47Å; L111-K115 WeakPolarHBondContact O-CG 3.33Å; L111-K115 PolarHBondContact O-N 3.25Å; M113-K115 VanDerWaalsContact C-N 3.3Å; M113-K115 PolarHBondContact O-N 2.68Å; K115-N118 PolarHBondContact O-N 3.21Å; K115-D119 WeakPolarHBondContact O-CB 3.36Å; K115-D119 PolarHBondContact O-N 3.26Å; K115-I152 HydrophobicContact CG-CD1 4.01Å; K115-I152 HydrophobicContact CG-CG1 4.09Å; K115-I152 HydrophobicContact CG-CG2 4.33Å
116	A	98.7	Very high	98.7	Very high	42 Å²	42	42 Å²	42	35%	0.347	22%	0.222	S	C	.	.	H	α-helix	trans	-68.1	-40.9	177.6	0	0	0	0	0	112	M33 S112 M113 E114 D119 S120	M33-A116 VanDerWaalsContact CE-C 3.46Å; M33-A116 HydrophobicContact CE-CB 3.91Å; M33-A116 WeakPolarHBondContact CE-O 3.27Å; S112-A116 PolarHBondContact O-N 2.92Å; S112-A116 VanDerWaalsContact O-N 3.13Å; M113-A116 WeakPolarHBondContact O-CA 3.31Å; M113-A116 WeakPolarHBondContact O-CB 3.47Å; M113-A116 PolarHBondContact O-N 2.9Å; E114-A116 VanDerWaalsContact C-N 3.34Å; E114-A116 PolarHBondContact O-N 3.5Å; A116-D119 PolarHBondContact O-N 3.13Å; A116-S120 PolarHBondContact O-N 3.02Å; A116-S120 VanDerWaalsContact O-N 3.08Å
117	V	98.7	Very high	98.8	Very high	3 Å²	3	44 Å²	44	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-48.4	173.4	171.4	0	0	0	0	109.8	M33 E34 M113 E114 D119 S120 L121	M33-V117 HydrophobicContact CE-CG2 4.25Å; M33-V117 HydrophobicContact CG-CG2 4.3Å; E34-V117 WeakPolarHBondContact OE2-CG1 3.33Å; M113-V117 WeakPolarHBondContact O-CG2 3.41Å; M113-V117 PolarHBondContact O-N 2.93Å; E114-V117 PolarHBondContact O-N 3.43Å; V117-D119 PolarHBondContact O-N 2.91Å; V117-S120 WeakPolarHBondContact O-CB 3.5Å; V117-S120 PolarHBondContact O-N 2.98Å; V117-S120 VanDerWaalsContact O-N 3.1Å; V117-L121 HydrophobicContact CG1-CD1 4.08Å; V117-L121 PolarHBondContact O-N 3.08Å
118	N	98.8	Very high	98.8	Very high	24 Å²	24	44 Å²	44	13%	0.128	23%	0.232	C	C	.	.	H	α-helix	trans	-62.1	-43.6	177.9	-169.1	43.4	0	0	0	112.6	E114 K115 S120 L121 L122 Q148 I152	E114-N118 WeakPolarHBondContact O-CB 3.26Å; E114-N118 PolarHBondContact O-N 3.12Å; K115-N118 PolarHBondContact O-N 3.21Å; N118-S120 PolarHBondContact O-N 3.24Å; N118-L121 WeakPolarHBondContact O-CB 3.22Å; N118-L121 PolarHBondContact O-N 3.22Å; N118-L121 VanDerWaalsContact O-N 3.11Å; N118-L122 WeakPolarHBondContact O-CG 3.34Å; N118-L122 PolarHBondContact O-N 2.87Å; N118-Q148 HydrophobicContact CB-CB 3.96Å; N118-Q148 HydrophobicContact CB-CG 4.07Å; N118-I152 HydrophobicContact CB-CD1 3.9Å
119	D	98.9	Very high	98.8	Very high	88 Å²	88	44.6 Å²	44.6	47%	0.471	24%	0.239	S	C	.	.	H	α-helix	trans	-59.6	-33	174.9	-80.9	-12.2	0	0	0	112.2	K115 A116 V117 K123	K115-D119 WeakPolarHBondContact O-CB 3.36Å; K115-D119 PolarHBondContact O-N 3.26Å; A116-D119 PolarHBondContact O-N 3.13Å; V117-D119 PolarHBondContact O-N 2.91Å; D119-K123 WeakPolarHBondContact O-CD 3.33Å; D119-K123 VanDerWaalsContact O-CG 3.31Å; D119-K123 WeakPolarHBondContact O-CG 3.4Å; D119-K123 PolarHBondContact O-N 2.83Å
120	S	98.8	Very high	98.8	Very high	28 Å²	28	49.9 Å²	49.9	20%	0.196	26%	0.259	C	S	.	.	H	α-helix	trans	-72	-41.4	174.2	-172.4	0	0	0	0	111.9	Q30 M33 A116 V117 N118 L122 K123 L124	Q30-S120 PolarHBondContact OE1-OG 3.21Å; M33-S120 WeakPolarHBondContact SD-CB 3.19Å; A116-S120 PolarHBondContact O-N 3.02Å; A116-S120 VanDerWaalsContact O-N 3.08Å; V117-S120 WeakPolarHBondContact O-CB 3.5Å; V117-S120 PolarHBondContact O-N 2.98Å; V117-S120 VanDerWaalsContact O-N 3.1Å; N118-S120 PolarHBondContact O-N 3.24Å; S120-L122 PolarHBondContact O-N 3.23Å; S120-K123 WeakPolarHBondContact O-CB 3.48Å; S120-K123 PolarHBondContact O-N 3.27Å; S120-L124 PolarHBondContact O-N 2.91Å
121	L	98.9	Very high	98.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-40.7	174.5	-72.5	163.5	0	0	0	112.1	Q30 V117 N118 K123 L124 H125 I140 Y144 L145 Q148	Q30-L121 HydrophobicContact CG-CD2 3.85Å; V117-L121 HydrophobicContact CG1-CD1 4.08Å; V117-L121 PolarHBondContact O-N 3.08Å; N118-L121 WeakPolarHBondContact O-CB 3.22Å; N118-L121 PolarHBondContact O-N 3.22Å; N118-L121 VanDerWaalsContact O-N 3.11Å; L121-K123 VanDerWaalsContact C-N 3.33Å; L121-K123 PolarHBondContact O-N 3.47Å; L121-L124 WeakPolarHBondContact O-CB 3.18Å; L121-L124 PolarHBondContact O-N 3.34Å; L121-H125 WeakPolarHBondContact O-CB 3.46Å; L121-H125 PolarHBondContact O-N 3.28Å; L121-I140 HydrophobicContact CB-CG2 4.43Å; L121-I140 HydrophobicContact CD2-CG2 4.37Å; L121-Y144 HydrophobicContact CD1-CG 4.45Å; L121-Y144 HydrophobicContact CD2-CD1 4.36Å; L121-Y144 HydrophobicContact CD2-CG 4.08Å; L121-L145 HydrophobicContact CB-CD2 3.94Å; L121-Q148 HydrophobicContact CD1-CG 3.62Å
122	L	98.9	Very high	98.8	Very high	81 Å²	81	57.4 Å²	57.4	42%	0.424	30%	0.3	S	S	.	.	H	α-helix	trans	-62.3	-39.3	174.8	-69.2	174.4	0	0	0	111.8	N118 S120 H125 E126 L145	N118-L122 WeakPolarHBondContact O-CG 3.34Å; N118-L122 PolarHBondContact O-N 2.87Å; S120-L122 PolarHBondContact O-N 3.23Å; L122-H125 WeakPolarHBondContact O-CB 3.46Å; L122-H125 PolarHBondContact O-N 2.89Å; L122-E126 PolarHBondContact O-N 2.6Å; L122-L145 HydrophobicContact CD2-CD1 4.35Å; L122-L145 HydrophobicContact CD2-CD2 4.1Å
123	K	98.9	Very high	98.8	Very high	126 Å²	126	53.9 Å²	53.9	55%	0.548	28%	0.275	S	S	.	.	H	α-helix	trans	-66.9	-39.8	173.2	-70.5	165.1	-170.2	161.3	0	112	D119 S120 L121 H125 E126 I127	D119-K123 WeakPolarHBondContact O-CD 3.33Å; D119-K123 VanDerWaalsContact O-CG 3.31Å; D119-K123 WeakPolarHBondContact O-CG 3.4Å; D119-K123 PolarHBondContact O-N 2.83Å; S120-K123 WeakPolarHBondContact O-CB 3.48Å; S120-K123 PolarHBondContact O-N 3.27Å; L121-K123 VanDerWaalsContact C-N 3.33Å; L121-K123 PolarHBondContact O-N 3.47Å; K123-H125 VanDerWaalsContact C-N 3.29Å; K123-H125 PolarHBondContact O-N 3.02Å; K123-E126 PolarHBondContact O-N 2.9Å; K123-I127 WeakPolarHBondContact O-CG1 3.34Å; K123-I127 PolarHBondContact O-N 3.45Å
124	L	98.9	Very high	98.8	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-40.3	174.4	173.3	60.2	0	0	0	110.9	A26 I27 Q30 S120 L121 I127 A128 L136 I140	A26-L124 HydrophobicContact CB-CD1 3.37Å; I27-L124 HydrophobicContact CG1-CD1 3.99Å; I27-L124 HydrophobicContact CG1-CD2 4.12Å; Q30-L124 HydrophobicContact CB-CD2 4.21Å; Q30-L124 HydrophobicContact CG-CD2 4.45Å; S120-L124 PolarHBondContact O-N 2.91Å; L121-L124 WeakPolarHBondContact O-CB 3.18Å; L121-L124 PolarHBondContact O-N 3.34Å; L124-I127 PolarHBondContact O-N 2.94Å; L124-A128 PolarHBondContact O-N 3.02Å; L124-L136 HydrophobicContact CD1-CD2 4.37Å; L124-I140 HydrophobicContact CB-CD1 4.4Å; L124-I140 HydrophobicContact CD2-CD1 4.02Å; L124-I140 HydrophobicContact CD2-CG1 4.16Å; L124-I140 HydrophobicContact CG-CD1 3.63Å; L124-I140 HydrophobicContact CG-CG1 4.32Å
125	H	98.8	Very high	98.8	Very high	39 Å²	39	58.9 Å²	58.9	18%	0.181	31%	0.314	C	S	.	.	H	α-helix	trans	-63.4	-43.6	174.5	-176.8	-72.9	0	0	0	112.1	L121 L122 K123 I127 A128 T129 I140 E141	L121-H125 WeakPolarHBondContact O-CB 3.46Å; L121-H125 PolarHBondContact O-N 3.28Å; L122-H125 WeakPolarHBondContact O-CB 3.46Å; L122-H125 PolarHBondContact O-N 2.89Å; K123-H125 VanDerWaalsContact C-N 3.29Å; K123-H125 PolarHBondContact O-N 3.02Å; H125-I127 VanDerWaalsContact C-N 3.34Å; H125-I127 PolarHBondContact O-N 3.21Å; H125-A128 WeakPolarHBondContact O-CB 3.39Å; H125-A128 PolarHBondContact O-N 3.06Å; H125-T129 PolarHBondContact CE1-OG1 2.9Å; H125-T129 PolarHBondContact ND1-OG1 3.47Å; H125-T129 WeakPolarHBondContact O-CB 3.5Å; H125-T129 PolarHBondContact O-N 3.44Å; H125-T129 PolarHBondContact O-OG1 3.31Å; H125-I140 HydrophobicContact CB-CD1 4.18Å; H125-I140 HydrophobicContact CB-CG2 4.26Å; H125-E141 IonicContact CD2-OE1 2.66Å; H125-E141 IonicContact CE1-OE1 3.94Å; H125-E141 IonicContact NE2-OE1 3.49Å; H125-E141 PolarHBondContact NE2-OE1 3.43Å
126	E	98.9	Very high	98.8	Very high	135 Å²	135	54.2 Å²	54.2	63%	0.631	29%	0.293	S	S	*	.	H	α-helix	trans	-59.2	-44.1	174.6	-172.6	-174.1	172.5	0	0	111.5	L122 K123 A128 T129 K130	L122-E126 PolarHBondContact O-N 2.6Å; K123-E126 PolarHBondContact O-N 2.9Å; E126-A128 VanDerWaalsContact C-N 3.34Å; E126-A128 PolarHBondContact O-N 2.85Å; E126-T129 PolarHBondContact O-N 2.94Å; E126-K130 WeakPolarHBondContact O-CB 3.45Å; E126-K130 PolarHBondContact O-N 2.91Å
127	I	98.9	Very high	98.8	Very high	40 Å²	40	53 Å²	53	21%	0.205	28%	0.282	C	S	.	.	H	α-helix	trans	-61.5	-43	176.3	-71.6	167.9	0	0	0	111.1	E22 A26 K123 L124 H125 K130 N131	E22-I127 HydrophobicContact CB-CG2 4.31Å; E22-I127 HydrophobicContact CG-CG2 3.77Å; A26-I127 HydrophobicContact CB-CD1 3.75Å; A26-I127 HydrophobicContact CB-CG2 4.36Å; K123-I127 WeakPolarHBondContact O-CG1 3.34Å; K123-I127 PolarHBondContact O-N 3.45Å; L124-I127 PolarHBondContact O-N 2.94Å; H125-I127 VanDerWaalsContact C-N 3.34Å; H125-I127 PolarHBondContact O-N 3.21Å; I127-K130 PolarHBondContact O-N 2.86Å; I127-N131 WeakPolarHBondContact O-CB 3.41Å; I127-N131 PolarHBondContact O-N 3.37Å; I127-N131 PolarHBondContact O-ND2 3.29Å
128	A	98.9	Very high	98.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.4	-43.5	176.8	0	0	0	0	0	111.6	L124 H125 E126 N131 N132 D133 L136 T137 I140	L124-A128 PolarHBondContact O-N 3.02Å; H125-A128 WeakPolarHBondContact O-CB 3.39Å; H125-A128 PolarHBondContact O-N 3.06Å; E126-A128 VanDerWaalsContact C-N 3.34Å; E126-A128 PolarHBondContact O-N 2.85Å; A128-N131 CarbonylContact O-C 3.52Å; A128-N131 PolarHBondContact O-N 3.5Å; A128-N132 PolarHBondContact O-N 3.31Å; A128-D133 PolarHBondContact O-N 3.18Å; A128-L136 HydrophobicContact CB-CB 3.95Å; A128-L136 HydrophobicContact CB-CD2 3.63Å; A128-L136 HydrophobicContact CB-CG 3.59Å; A128-T137 HydrophobicContact CB-CG2 3.61Å; A128-I140 HydrophobicContact CB-CD1 4.45Å
129	T	98.8	Very high	98.8	Very high	75 Å²	75	57.1 Å²	57.1	46%	0.46	30%	0.303	S	S	.	.	H	α-helix	trans	-61.5	-49.3	176.4	-61.8	0	0	0	0	111.2	H125 E126 N131 N132 T137	H125-T129 PolarHBondContact CE1-OG1 2.9Å; H125-T129 PolarHBondContact ND1-OG1 3.47Å; H125-T129 WeakPolarHBondContact O-CB 3.5Å; H125-T129 PolarHBondContact O-N 3.44Å; H125-T129 PolarHBondContact O-OG1 3.31Å; E126-T129 PolarHBondContact O-N 2.94Å; T129-N131 PolarHBondContact O-N 3.46Å; T129-N132 PolarHBondContact O-N 3.22Å; T129-T137 WeakPolarHBondContact OG1-CG2 3.16Å
130	K	98.8	Very high	98.8	Very high	137 Å²	137	53 Å²	53	60%	0.596	28%	0.281	S	S	*	.	H	α-helix	trans	-56	-36.8	175.9	175.5	-169.2	167.6	-153.8	0	112.4	E22 E126 I127 N132	E22-K130 VanDerWaalsContact CD-NZ 3.3Å; E22-K130 IonicContact OE1-NZ 2.83Å; E22-K130 PolarHBondContact OE1-NZ 3.03Å; E22-K130 IonicContact OE2-NZ 3.46Å; E22-K130 PolarHBondContact OE2-NZ 3.23Å; E126-K130 WeakPolarHBondContact O-CB 3.45Å; E126-K130 PolarHBondContact O-N 2.91Å; I127-K130 PolarHBondContact O-N 2.86Å; K130-N132 VanDerWaalsContact C-N 3.31Å
131	N	98.7	Very high	98.8	Very high	45 Å²	45	55.1 Å²	55.1	24%	0.241	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	7.7	179.2	-75.7	-84.7	0	0	0	113.6	A20 E22 I127 A128 T129 D133	A20-N131 HydrophobicContact CB-CB 4.01Å; A20-N131 WeakPolarHBondContact CB-OD1 3.47Å; E22-N131 PolarHBondContact OE2-ND2 2.99Å; I127-N131 WeakPolarHBondContact O-CB 3.41Å; I127-N131 PolarHBondContact O-N 3.37Å; I127-N131 PolarHBondContact O-ND2 3.29Å; A128-N131 CarbonylContact O-C 3.52Å; A128-N131 PolarHBondContact O-N 3.5Å; T129-N131 PolarHBondContact O-N 3.46Å; N131-D133 VanDerWaalsContact C-N 3.29Å; N131-D133 PolarHBondContact O-N 3.14Å
132	N	98.5	Very high	98.8	Very high	130 Å²	130	57.9 Å²	57.9	70%	0.695	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	45.4	-176.6	-60.2	-66.7	0	0	0	112.7	N18 A128 T129 K130 P134	N18-N132 PolarHBondContact ND2-O 3.11Å; A128-N132 PolarHBondContact O-N 3.31Å; T129-N132 PolarHBondContact O-N 3.22Å; K130-N132 VanDerWaalsContact C-N 3.31Å; N132-P134 VanDerWaalsContact C-CD 3.42Å; N132-P134 WeakPolarHBondContact O-CD 3.47Å
133	D	98.8	Very high	98.7	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.016	31%	0.306	C	S	.	.			trans	-104.1	80.4	176.1	-169.4	-13.3	0	0	0	111.4	R83 A128 N131 A135 L136 T137	R83-D133 IonicContact CZ-OD1 3.87Å; R83-D133 IonicContact CZ-OD2 3.58Å; R83-D133 VanDerWaalsContact CZ-OD2 3.26Å; R83-D133 IonicContact NH1-OD1 2.74Å; R83-D133 PolarHBondContact NH1-OD1 3.13Å; R83-D133 VanDerWaalsContact NH1-OD1 3.08Å; R83-D133 IonicContact NH1-OD2 3.08Å; R83-D133 PolarHBondContact NH1-OD2 3.45Å; R83-D133 IonicContact NH2-OD1 3.56Å; R83-D133 PolarHBondContact NH2-OD1 3.39Å; R83-D133 IonicContact NH2-OD2 3.24Å; R83-D133 PolarHBondContact NH2-OD2 3.26Å; A128-D133 PolarHBondContact O-N 3.18Å; N131-D133 VanDerWaalsContact C-N 3.29Å; N131-D133 PolarHBondContact O-N 3.14Å; D133-A135 PolarHBondContact O-N 3.34Å; D133-A135 PolarHBondContact OD1-N 3.07Å; D133-L136 HydrophobicContact CB-CB 4.13Å; D133-L136 VanDerWaalsContact CG-CB 3.49Å; D133-L136 PolarHBondContact O-N 3.31Å; D133-L136 PolarHBondContact OD1-N 3.27Å; D133-L136 WeakPolarHBondContact OD2-CB 3.42Å; D133-T137 PolarHBondContact O-N 3.25Å
134	P	98.5	Very high	98.7	Very high	88 Å²	88	52.2 Å²	52.2	57%	0.571	28%	0.28	S	S	*	.	H	α-helix	trans	-65.1	-21.9	-178.3	27.4	-36.3	0	0	0	113.2	N132 T137 N138	N132-P134 VanDerWaalsContact C-CD 3.42Å; N132-P134 WeakPolarHBondContact O-CD 3.47Å; P134-T137 VanDerWaalsContact CA-OG1 3.31Å; P134-T137 WeakPolarHBondContact CA-OG1 3.25Å; P134-T137 PolarHBondContact O-OG1 3Å; P134-T137 VanDerWaalsContact O-OG1 3.07Å; P134-N138 VanDerWaalsContact O-CB 3.24Å; P134-N138 WeakPolarHBondContact O-CB 3.48Å; P134-N138 PolarHBondContact O-N 3.4Å; P134-N138 VanDerWaalsContact O-N 3.1Å
135	A	98.7	Very high	98.7	Very high	50 Å²	50	53.1 Å²	53.1	41%	0.413	29%	0.285	S	S	.	.	H	α-helix	trans	-73.2	-40.1	177.1	0	0	0	0	0	110.8	Y79 D133 F139	Y79-A135 VanDerWaalsContact OH-C 3.25Å; Y79-A135 PolarHBondContact OH-O 2.86Å; D133-A135 PolarHBondContact O-N 3.34Å; D133-A135 PolarHBondContact OD1-N 3.07Å; A135-F139 WeakPolarHBondContact O-CB 3.07Å; A135-F139 PolarHBondContact O-N 2.59Å
136	L	98.8	Very high	98.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-71	-43	174.3	176.5	56.2	0	0	0	112.2	F19 C23 I27 Y79 L124 A128 D133 N138 F139 I140	F19-L136 HydrophobicContact CE2-CD2 4.35Å; C23-L136 HydrophobicContact CB-CD2 3.67Å; I27-L136 HydrophobicContact CD1-CD1 3.89Å; I27-L136 HydrophobicContact CD1-CD2 4.12Å; I27-L136 HydrophobicContact CG1-CD1 4.36Å; Y79-L136 HydrophobicContact CD1-CD1 4.38Å; Y79-L136 HydrophobicContact CE1-CB 4.49Å; Y79-L136 HydrophobicContact CE1-CD1 3.68Å; Y79-L136 VanDerWaalsContact OH-CA 3.32Å; Y79-L136 WeakPolarHBondContact OH-CA 3.47Å; Y79-L136 PolarHBondContact OH-N 3.18Å; L124-L136 HydrophobicContact CD1-CD2 4.37Å; A128-L136 HydrophobicContact CB-CB 3.95Å; A128-L136 HydrophobicContact CB-CD2 3.63Å; A128-L136 HydrophobicContact CB-CG 3.59Å; D133-L136 HydrophobicContact CB-CB 4.13Å; D133-L136 VanDerWaalsContact CG-CB 3.49Å; D133-L136 PolarHBondContact O-N 3.31Å; D133-L136 PolarHBondContact OD1-N 3.27Å; D133-L136 WeakPolarHBondContact OD2-CB 3.42Å; L136-N138 VanDerWaalsContact C-N 3.33Å; L136-N138 PolarHBondContact O-N 2.94Å; L136-F139 HydrophobicContact CD1-CD1 4.27Å; L136-F139 PolarHBondContact O-N 2.68Å; L136-I140 HydrophobicContact CD1-CD1 3.71Å; L136-I140 HydrophobicContact CD1-CG1 3.89Å; L136-I140 HydrophobicContact CG-CD1 3.79Å; L136-I140 HydrophobicContact CG-CG1 4.46Å; L136-I140 WeakPolarHBondContact O-CD1 3.41Å; L136-I140 VanDerWaalsContact O-CG1 3.3Å; L136-I140 WeakPolarHBondContact O-CG1 3.48Å; L136-I140 PolarHBondContact O-N 3.08Å
137	T	98.9	Very high	98.6	Very high	18 Å²	18	53.7 Å²	53.7	11%	0.11	29%	0.288	C	S	.	.	H	α-helix	trans	-58.2	-47.9	176	58.6	0	0	0	0	111	A128 T129 D133 P134 F139 I140 E141	A128-T137 HydrophobicContact CB-CG2 3.61Å; T129-T137 WeakPolarHBondContact OG1-CG2 3.16Å; D133-T137 PolarHBondContact O-N 3.25Å; P134-T137 VanDerWaalsContact CA-OG1 3.31Å; P134-T137 WeakPolarHBondContact CA-OG1 3.25Å; P134-T137 PolarHBondContact O-OG1 3Å; P134-T137 VanDerWaalsContact O-OG1 3.07Å; T137-F139 VanDerWaalsContact C-N 3.34Å; T137-F139 PolarHBondContact O-N 3.29Å; T137-I140 PolarHBondContact O-N 2.93Å; T137-E141 VanDerWaalsContact O-CG 3.29Å; T137-E141 WeakPolarHBondContact O-CG 3.22Å; T137-E141 PolarHBondContact O-N 3.32Å
138	N	98.8	Very high	98.6	Very high	92 Å²	92	52 Å²	52	49%	0.492	28%	0.278	S	S	.	.	H	α-helix	trans	-63.1	-38.3	178	178.6	-112	0	0	0	112.7	P134 L136 S142	P134-N138 VanDerWaalsContact O-CB 3.24Å; P134-N138 WeakPolarHBondContact O-CB 3.48Å; P134-N138 PolarHBondContact O-N 3.4Å; P134-N138 VanDerWaalsContact O-N 3.1Å; L136-N138 VanDerWaalsContact C-N 3.33Å; L136-N138 PolarHBondContact O-N 2.94Å; N138-S142 VanDerWaalsContact O-CB 3.25Å; N138-S142 WeakPolarHBondContact O-CB 3.48Å; N138-S142 PolarHBondContact O-N 2.86Å; N138-S142 PolarHBondContact O-OG 3.49Å
139	F	98.9	Very high	98.6	Very high	21 Å²	21	57.5 Å²	57.5	9%	0.092	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-44.9	175.4	174.1	-104.8	0	0	0	111.7	L76 Y79 A135 L136 T137 S142 Q143 Y144	L76-F139 HydrophobicContact CD2-CE1 4.09Å; Y79-F139 VanDerWaalsContact CB-CZ 3.41Å; Y79-F139 AromaticContact CD1-CD1 3.77Å; Y79-F139 HydrophobicContact CD1-CD1 3.77Å; Y79-F139 AromaticContact CD1-CE1 3.8Å; Y79-F139 HydrophobicContact CD1-CE1 3.8Å; Y79-F139 HydrophobicContact CD1-CG 4.28Å; Y79-F139 HydrophobicContact CD1-CZ 4.36Å; Y79-F139 HydrophobicContact CD2-CB 4.27Å; Y79-F139 AromaticContact CD2-CD1 3.83Å; Y79-F139 HydrophobicContact CD2-CD1 3.83Å; Y79-F139 AromaticContact CD2-CD2 3.42Å; Y79-F139 HydrophobicContact CD2-CD2 3.42Å; Y79-F139 VanDerWaalsContact CD2-CD2 3.42Å; Y79-F139 AromaticContact CD2-CE1 3.94Å; Y79-F139 HydrophobicContact CD2-CE1 3.94Å; Y79-F139 AromaticContact CD2-CE2 3.55Å; Y79-F139 HydrophobicContact CD2-CE2 3.55Å; Y79-F139 AromaticContact CD2-CG 3.56Å; Y79-F139 HydrophobicContact CD2-CG 3.56Å; Y79-F139 AromaticContact CD2-CZ 3.81Å; Y79-F139 HydrophobicContact CD2-CZ 3.81Å; Y79-F139 HydrophobicContact CE1-CB 4.48Å; Y79-F139 AromaticContact CE1-CD1 3.96Å; Y79-F139 HydrophobicContact CE1-CD1 3.96Å; Y79-F139 HydrophobicContact CE1-CE1 4.45Å; Y79-F139 HydrophobicContact CE1-CG 4.25Å; Y79-F139 HydrophobicContact CE2-CB 3.71Å; Y79-F139 HydrophobicContact CE2-CD1 4.02Å; Y79-F139 AromaticContact CE2-CD2 3.69Å; Y79-F139 HydrophobicContact CE2-CD2 3.69Å; Y79-F139 HydrophobicContact CE2-CE2 4.3Å; Y79-F139 AromaticContact CE2-CG 3.52Å; Y79-F139 HydrophobicContact CE2-CG 3.52Å; Y79-F139 AromaticContact CG-CD1 3.7Å; Y79-F139 HydrophobicContact CG-CD1 3.7Å; Y79-F139 HydrophobicContact CG-CD2 4.04Å; Y79-F139 AromaticContact CG-CE1 3.51Å; Y79-F139 HydrophobicContact CG-CE1 3.51Å; Y79-F139 AromaticContact CG-CE2 3.87Å; Y79-F139 HydrophobicContact CG-CE2 3.87Å; Y79-F139 AromaticContact CG-CG 3.95Å; Y79-F139 HydrophobicContact CG-CG 3.95Å; Y79-F139 AromaticContact CG-CZ 3.6Å; Y79-F139 HydrophobicContact CG-CZ 3.6Å; Y79-F139 AromaticContact CZ-CG 3.86Å; A135-F139 WeakPolarHBondContact O-CB 3.07Å; A135-F139 PolarHBondContact O-N 2.59Å; L136-F139 HydrophobicContact CD1-CD1 4.27Å; L136-F139 PolarHBondContact O-N 2.68Å; T137-F139 VanDerWaalsContact C-N 3.34Å; T137-F139 PolarHBondContact O-N 3.29Å; F139-S142 PolarHBondContact O-OG 3.02Å; F139-Q143 HydrophobicContact CD2-CB 4.46Å; F139-Q143 HydrophobicContact CD2-CG 3.71Å; F139-Q143 HydrophobicContact CE2-CB 4.3Å; F139-Q143 HydrophobicContact CE2-CG 3.73Å; F139-Q143 WeakPolarHBondContact O-CB 3.29Å; F139-Q143 WeakPolarHBondContact O-CG 3.34Å; F139-Q143 PolarHBondContact O-N 3.36Å; F139-Q143 VanDerWaalsContact O-N 3.07Å; F139-Y144 HydrophobicContact CD1-CE2 4.17Å; F139-Y144 AromaticContact CE1-CE2 3.52Å; F139-Y144 HydrophobicContact CE1-CE2 3.52Å; F139-Y144 HydrophobicContact CE2-CE2 4.4Å; F139-Y144 AromaticContact CZ-CE2 3.66Å; F139-Y144 HydrophobicContact CZ-CE2 3.66Å
140	I	98.9	Very high	98.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.3	-47.5	178.8	-62.5	155.4	0	0	0	110.8	L121 L124 H125 A128 L136 T137 Y144 L145	L121-I140 HydrophobicContact CB-CG2 4.43Å; L121-I140 HydrophobicContact CD2-CG2 4.37Å; L124-I140 HydrophobicContact CB-CD1 4.4Å; L124-I140 HydrophobicContact CD2-CD1 4.02Å; L124-I140 HydrophobicContact CD2-CG1 4.16Å; L124-I140 HydrophobicContact CG-CD1 3.63Å; L124-I140 HydrophobicContact CG-CG1 4.32Å; H125-I140 HydrophobicContact CB-CD1 4.18Å; H125-I140 HydrophobicContact CB-CG2 4.26Å; A128-I140 HydrophobicContact CB-CD1 4.45Å; L136-I140 HydrophobicContact CD1-CD1 3.71Å; L136-I140 HydrophobicContact CD1-CG1 3.89Å; L136-I140 HydrophobicContact CG-CD1 3.79Å; L136-I140 HydrophobicContact CG-CG1 4.46Å; L136-I140 WeakPolarHBondContact O-CD1 3.41Å; L136-I140 VanDerWaalsContact O-CG1 3.3Å; L136-I140 WeakPolarHBondContact O-CG1 3.48Å; L136-I140 PolarHBondContact O-N 3.08Å; T137-I140 PolarHBondContact O-N 2.93Å; I140-Y144 PolarHBondContact O-N 2.89Å; I140-L145 HydrophobicContact CG2-CD1 4.36Å; I140-L145 HydrophobicContact CG2-CD2 4.07Å; I140-L145 HydrophobicContact CG2-CG 3.99Å; I140-L145 PolarHBondContact O-N 2.92Å; I140-L145 VanDerWaalsContact O-N 3.14Å
141	E	98.7	Very high	98.5	Very high	74 Å²	74	54 Å²	54	35%	0.346	29%	0.292	S	S	.	.	I	π-helix	trans	-58.4	-50.7	178.1	-70.8	163.8	-170.5	0	0	111.9	H125 T137 L145 H146	H125-E141 IonicContact CD2-OE1 2.66Å; H125-E141 IonicContact CE1-OE1 3.94Å; H125-E141 IonicContact NE2-OE1 3.49Å; H125-E141 PolarHBondContact NE2-OE1 3.43Å; T137-E141 VanDerWaalsContact O-CG 3.29Å; T137-E141 WeakPolarHBondContact O-CG 3.22Å; T137-E141 PolarHBondContact O-N 3.32Å; E141-L145 HydrophobicContact CG-CD1 4.04Å; E141-H146 PolarHBondContact O-CD2 3.21Å
142	S	98.2	Very high	98.5	Very high	58 Å²	58	53.2 Å²	53.2	41%	0.406	29%	0.288	S	S	.	.	I	π-helix	trans	-79.9	-17.5	-171.6	61.4	0	0	0	0	114.9	N138 F139	N138-S142 VanDerWaalsContact O-CB 3.25Å; N138-S142 WeakPolarHBondContact O-CB 3.48Å; N138-S142 PolarHBondContact O-N 2.86Å; N138-S142 PolarHBondContact O-OG 3.49Å; F139-S142 PolarHBondContact O-OG 3.02Å
143	Q	98.3	Very high	98.5	Very high	86 Å²	86	52.3 Å²	52.3	40%	0.402	28%	0.278	S	S	.	.	I	π-helix	trans	-117.4	-12.7	-174.2	-58.7	-68.5	-92.1	0	0	113.9	F139	F139-Q143 HydrophobicContact CD2-CB 4.46Å; F139-Q143 HydrophobicContact CD2-CG 3.71Å; F139-Q143 HydrophobicContact CE2-CB 4.3Å; F139-Q143 HydrophobicContact CE2-CG 3.73Å; F139-Q143 WeakPolarHBondContact O-CB 3.29Å; F139-Q143 WeakPolarHBondContact O-CG 3.34Å; F139-Q143 PolarHBondContact O-N 3.36Å; F139-Q143 VanDerWaalsContact O-N 3.07Å
144	Y	98.8	Very high	98.5	Very high	1 Å²	1	55.8 Å²	55.8	0%	0.004	29%	0.294	C	S	.	.	I	π-helix	trans	-139.6	-44.6	-174.2	-56.2	-92.4	0	0	0	113.4	H72 N75 L76 L121 F139 I140 H146 E147 Q148	H72-Y144 HydrophobicContact CB-CE1 4.07Å; N75-Y144 WeakPolarHBondContact CB-OH 3.42Å; N75-Y144 PolarHBondContact ND2-OH 3.04Å; L76-Y144 HydrophobicContact CD1-CE1 4.39Å; L76-Y144 HydrophobicContact CD2-CE1 4.42Å; L76-Y144 HydrophobicContact CD2-CE2 4.18Å; L76-Y144 HydrophobicContact CG-CE1 4.11Å; L76-Y144 WeakPolarHBondContact CG-OH 3.45Å; L76-Y144 PolarHBondContact N-OH 3.24Å; L121-Y144 HydrophobicContact CD1-CG 4.45Å; L121-Y144 HydrophobicContact CD2-CD1 4.36Å; L121-Y144 HydrophobicContact CD2-CG 4.08Å; F139-Y144 HydrophobicContact CD1-CE2 4.17Å; F139-Y144 AromaticContact CE1-CE2 3.52Å; F139-Y144 HydrophobicContact CE1-CE2 3.52Å; F139-Y144 HydrophobicContact CE2-CE2 4.4Å; F139-Y144 AromaticContact CZ-CE2 3.66Å; F139-Y144 HydrophobicContact CZ-CE2 3.66Å; I140-Y144 PolarHBondContact O-N 2.89Å; Y144-H146 PolarHBondContact O-N 3.02Å; Y144-E147 PolarHBondContact O-N 2.92Å; Y144-E147 VanDerWaalsContact O-N 3.16Å; Y144-Q148 WeakPolarHBondContact O-CG 3.33Å; Y144-Q148 PolarHBondContact O-N 2.94Å
145	L	98.7	Very high	98.5	Very high	24 Å²	24	52 Å²	52	13%	0.126	27%	0.268	C	S	.	.	I	π-helix	trans	-63.9	-42	-170.4	-64	-173.8	0	0	0	113.1	L121 L122 I140 E141 E147 Q148 E149	L121-L145 HydrophobicContact CB-CD2 3.94Å; L122-L145 HydrophobicContact CD2-CD1 4.35Å; L122-L145 HydrophobicContact CD2-CD2 4.1Å; I140-L145 HydrophobicContact CG2-CD1 4.36Å; I140-L145 HydrophobicContact CG2-CD2 4.07Å; I140-L145 HydrophobicContact CG2-CG 3.99Å; I140-L145 PolarHBondContact O-N 2.92Å; I140-L145 VanDerWaalsContact O-N 3.14Å; E141-L145 HydrophobicContact CG-CD1 4.04Å; L145-E147 VanDerWaalsContact C-N 3.33Å; L145-Q148 PolarHBondContact O-N 3.45Å; L145-E149 WeakPolarHBondContact O-CG 3.27Å; L145-E149 PolarHBondContact O-N 3.19Å
146	H	97.7	Very high	98.5	Very high	118 Å²	118	51.2 Å²	51.2	55%	0.546	26%	0.262	S	S	.	.	H	α-helix	trans	-65.7	-37.8	175.8	-67.7	-49.4	0	0	0	112.6	E141 Y144 E149 D150	E141-H146 PolarHBondContact O-CD2 3.21Å; Y144-H146 PolarHBondContact O-N 3.02Å; H146-E149 IonicContact ND1-OE2 3.35Å; H146-E149 PolarHBondContact ND1-OE2 3.25Å; H146-E149 WeakPolarHBondContact O-CB 3.48Å; H146-E149 PolarHBondContact O-N 3.15Å; H146-D150 PolarHBondContact O-N 2.75Å; H146-D150 VanDerWaalsContact O-N 3.09Å
147	E	97.9	Very high	98.5	Very high	68 Å²	68	54.1 Å²	54.1	32%	0.318	28%	0.277	S	S	.	.	H	α-helix	trans	-67.1	-42.3	177.9	-175.8	161.7	-162.8	0	0	111.4	H72 Y144 L145 E149 D150 A151	H72-E147 IonicContact CE1-OE1 2.59Å; H72-E147 IonicContact NE2-OE1 2.6Å; H72-E147 PolarHBondContact NE2-OE1 3.03Å; H72-E147 IonicContact NE2-OE2 2.68Å; Y144-E147 PolarHBondContact O-N 2.92Å; Y144-E147 VanDerWaalsContact O-N 3.16Å; L145-E147 VanDerWaalsContact C-N 3.33Å; E147-E149 VanDerWaalsContact C-N 3.34Å; E147-E149 PolarHBondContact O-N 3.5Å; E147-D150 PolarHBondContact O-N 2.93Å; E147-A151 WeakPolarHBondContact O-CB 3.38Å; E147-A151 PolarHBondContact O-N 3.42Å
148	Q	98.3	Very high	98.5	Very high	3 Å²	3	54.5 Å²	54.5	1%	0.014	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-37.1	172.9	-70	-47.1	95.2	0	0	112.6	E114 N118 L121 Y144 L145 D150 A151 I152	E114-Q148 PolarHBondContact O-NE2 2.88Å; E114-Q148 PolarHBondContact OE2-NE2 3.44Å; N118-Q148 HydrophobicContact CB-CB 3.96Å; N118-Q148 HydrophobicContact CB-CG 4.07Å; L121-Q148 HydrophobicContact CD1-CG 3.62Å; Y144-Q148 WeakPolarHBondContact O-CG 3.33Å; Y144-Q148 PolarHBondContact O-N 2.94Å; L145-Q148 PolarHBondContact O-N 3.45Å; Q148-D150 VanDerWaalsContact C-N 3.32Å; Q148-A151 PolarHBondContact O-N 2.83Å; Q148-I152 VanDerWaalsContact O-CB 3.25Å; Q148-I152 WeakPolarHBondContact O-CB 3.45Å; Q148-I152 WeakPolarHBondContact O-CD1 3.22Å; Q148-I152 WeakPolarHBondContact O-CG1 3.46Å; Q148-I152 PolarHBondContact O-N 2.98Å
149	E	98.5	Very high	98.5	Very high	116 Å²	116	51 Å²	51	54%	0.542	26%	0.259	S	S	.	.	H	α-helix	trans	-59.7	-45.1	174.1	-75.1	173.1	165.1	0	0	111.2	L145 H146 E147 K153	L145-E149 WeakPolarHBondContact O-CG 3.27Å; L145-E149 PolarHBondContact O-N 3.19Å; H146-E149 IonicContact ND1-OE2 3.35Å; H146-E149 PolarHBondContact ND1-OE2 3.25Å; H146-E149 WeakPolarHBondContact O-CB 3.48Å; H146-E149 PolarHBondContact O-N 3.15Å; E147-E149 VanDerWaalsContact C-N 3.34Å; E147-E149 PolarHBondContact O-N 3.5Å; E149-K153 WeakPolarHBondContact O-CB 3.45Å; E149-K153 PolarHBondContact O-N 3.44Å
150	D	98.5	Very high	98.5	Very high	118 Å²	118	53.5 Å²	53.5	63%	0.631	28%	0.276	S	S	*	.	H	α-helix	trans	-67	-44.5	177.8	-75	-21.5	0	0	0	112	H146 E147 Q148 K153 Q154	H146-D150 PolarHBondContact O-N 2.75Å; H146-D150 VanDerWaalsContact O-N 3.09Å; E147-D150 PolarHBondContact O-N 2.93Å; Q148-D150 VanDerWaalsContact C-N 3.32Å; D150-K153 PolarHBondContact O-N 3.02Å; D150-Q154 WeakPolarHBondContact O-CB 3.45Å; D150-Q154 PolarHBondContact O-N 3.31Å
151	A	98.3	Very high	98.5	Very high	20 Å²	20	56.4 Å²	56.4	17%	0.165	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-46.7	177.5	0	0	0	0	0	111.8	E114 E147 Q148 K153 Q154 F155	E114-A151 HydrophobicContact CG-CB 4.29Å; E147-A151 WeakPolarHBondContact O-CB 3.38Å; E147-A151 PolarHBondContact O-N 3.42Å; Q148-A151 PolarHBondContact O-N 2.83Å; A151-K153 VanDerWaalsContact C-N 3.29Å; A151-K153 PolarHBondContact O-N 2.82Å; A151-Q154 PolarHBondContact O-N 3.17Å; A151-F155 WeakPolarHBondContact O-CD2 3.18Å; A151-F155 PolarHBondContact O-N 3.06Å
152	I	98.8	Very high	98.5	Very high	30 Å²	30	52.9 Å²	52.9	15%	0.154	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-41.9	176.3	-71.2	167.3	0	0	0	110.4	L111 E114 K115 N118 Q148 A156	L111-I152 HydrophobicContact CD1-CG2 4.03Å; L111-I152 WeakPolarHBondContact CD1-O 3.42Å; E114-I152 HydrophobicContact CB-CG1 3.9Å; K115-I152 HydrophobicContact CG-CD1 4.01Å; K115-I152 HydrophobicContact CG-CG1 4.09Å; K115-I152 HydrophobicContact CG-CG2 4.33Å; N118-I152 HydrophobicContact CB-CD1 3.9Å; Q148-I152 VanDerWaalsContact O-CB 3.25Å; Q148-I152 WeakPolarHBondContact O-CB 3.45Å; Q148-I152 WeakPolarHBondContact O-CD1 3.22Å; Q148-I152 WeakPolarHBondContact O-CG1 3.46Å; Q148-I152 PolarHBondContact O-N 2.98Å; I152-A156 VanDerWaalsContact O-CB 3.26Å; I152-A156 WeakPolarHBondContact O-CB 3.48Å; I152-A156 PolarHBondContact O-N 3.08Å
153	K	98.7	Very high	98.5	Very high	111 Å²	111	54.8 Å²	54.8	48%	0.483	28%	0.279	S	S	.	.	H	α-helix	trans	-63.8	-45.7	176.8	179.8	60.1	172.4	74.4	0	111.4	E149 D150 A151 A156 D157	E149-K153 WeakPolarHBondContact O-CB 3.45Å; E149-K153 PolarHBondContact O-N 3.44Å; D150-K153 PolarHBondContact O-N 3.02Å; A151-K153 VanDerWaalsContact C-N 3.29Å; A151-K153 PolarHBondContact O-N 2.82Å; K153-A156 PolarHBondContact O-N 2.86Å; K153-D157 IonicContact NZ-OD1 2.86Å; K153-D157 PolarHBondContact NZ-OD1 3.09Å; K153-D157 IonicContact NZ-OD2 3.8Å; K153-D157 PolarHBondContact NZ-OD2 2.95Å; K153-D157 PolarHBondContact O-N 2.82Å
154	Q	98.4	Very high	98.5	Very high	76 Å²	76	59.8 Å²	59.8	36%	0.355	29%	0.294	S	S	.	.	H	α-helix	trans	-60	-50.3	179.3	-177	-176.9	64.7	0	0	111.4	D150 A151 A156 D157 Y158	D150-Q154 WeakPolarHBondContact O-CB 3.45Å; D150-Q154 PolarHBondContact O-N 3.31Å; A151-Q154 PolarHBondContact O-N 3.17Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-A156 PolarHBondContact O-N 3.29Å; Q154-D157 WeakPolarHBondContact O-CB 3.11Å; Q154-D157 PolarHBondContact O-N 3.34Å; Q154-Y158 HydrophobicContact CG-CD2 4.11Å; Q154-Y158 HydrophobicContact CG-CE1 4.26Å; Q154-Y158 HydrophobicContact CG-CE2 3.61Å; Q154-Y158 PolarHBondContact NE2-OH 3.36Å; Q154-Y158 PolarHBondContact O-N 3.29Å
155	F	98.7	Very high	98.5	Very high	7 Å²	7	62.8 Å²	62.8	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-67.5	-33.5	179.5	-77.3	-65.9	0	0	0	112.8	F61 F62 M107 A110 L111 E114 A151 D157 Y158 V159	F61-F155 AromaticContact CE1-CE1 3.71Å; F61-F155 HydrophobicContact CE1-CE1 3.71Å; F61-F155 AromaticContact CE1-CZ 3.75Å; F61-F155 HydrophobicContact CE1-CZ 3.75Å; F61-F155 HydrophobicContact CZ-CE1 4.09Å; F61-F155 AromaticContact CZ-CZ 3.97Å; F61-F155 HydrophobicContact CZ-CZ 3.97Å; F62-F155 HydrophobicContact CE1-CE1 4Å; F62-F155 HydrophobicContact CE1-CZ 4.23Å; F62-F155 HydrophobicContact CZ-CE1 4.39Å; M107-F155 HydrophobicContact SD-CD1 3.91Å; M107-F155 HydrophobicContact SD-CE1 4Å; A110-F155 HydrophobicContact CB-CD1 3.6Å; A110-F155 HydrophobicContact CB-CD2 4.38Å; A110-F155 HydrophobicContact CB-CE1 3.36Å; A110-F155 HydrophobicContact CB-CE2 4.18Å; A110-F155 HydrophobicContact CB-CG 4.12Å; A110-F155 HydrophobicContact CB-CZ 3.68Å; L111-F155 HydrophobicContact CB-CB 3.91Å; L111-F155 HydrophobicContact CD1-CB 4Å; E114-F155 HydrophobicContact CG-CD2 3.68Å; E114-F155 HydrophobicContact CG-CE2 3.79Å; A151-F155 WeakPolarHBondContact O-CD2 3.18Å; A151-F155 PolarHBondContact O-N 3.06Å; F155-D157 VanDerWaalsContact C-N 3.33Å; F155-D157 PolarHBondContact O-N 3.42Å; F155-Y158 HydrophobicContact CD1-CD2 4.29Å; F155-Y158 PolarHBondContact O-N 2.87Å; F155-V159 WeakPolarHBondContact O-CG2 3.48Å; F155-V159 PolarHBondContact O-N 2.8Å
156	A	98.8	Very high	98.4	Very high	34 Å²	34	63 Å²	63	28%	0.281	32%	0.321	S	S	.	.	H	α-helix	trans	-63.8	-38.6	173.2	0	0	0	0	0	112.5	L111 I152 K153 Q154 T160	L111-A156 HydrophobicContact CD1-CB 4.26Å; L111-A156 HydrophobicContact CD2-CB 4.3Å; I152-A156 VanDerWaalsContact O-CB 3.26Å; I152-A156 WeakPolarHBondContact O-CB 3.48Å; I152-A156 PolarHBondContact O-N 3.08Å; K153-A156 PolarHBondContact O-N 2.86Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-A156 PolarHBondContact O-N 3.29Å; A156-T160 PolarHBondContact O-N 3.23Å; A156-T160 PolarHBondContact O-OG1 2.79Å; A156-T160 VanDerWaalsContact O-OG1 3.12Å
157	D	98.8	Very high	98.3	Very high	61 Å²	61	62.1 Å²	62.1	33%	0.326	33%	0.327	S	S	.	.	H	α-helix	trans	-65.4	-46.8	172.8	-70.2	-16.5	0	0	0	110.8	K153 Q154 F155 V159 T160 E161	K153-D157 IonicContact NZ-OD1 2.86Å; K153-D157 PolarHBondContact NZ-OD1 3.09Å; K153-D157 IonicContact NZ-OD2 3.8Å; K153-D157 PolarHBondContact NZ-OD2 2.95Å; K153-D157 PolarHBondContact O-N 2.82Å; Q154-D157 WeakPolarHBondContact O-CB 3.11Å; Q154-D157 PolarHBondContact O-N 3.34Å; F155-D157 VanDerWaalsContact C-N 3.33Å; F155-D157 PolarHBondContact O-N 3.42Å; D157-V159 VanDerWaalsContact C-N 3.32Å; D157-V159 PolarHBondContact O-N 2.69Å; D157-T160 CarbonylContact O-C 3.57Å; D157-T160 WeakPolarHBondContact O-CA 3.48Å; D157-T160 WeakPolarHBondContact O-CB 3.14Å; D157-T160 PolarHBondContact O-N 3.29Å; D157-E161 WeakPolarHBondContact O-CG 3.36Å; D157-E161 PolarHBondContact O-N 3.21Å
158	Y	98.6	Very high	98.1	Very high	27 Å²	27	61.5 Å²	61.5	11%	0.106	34%	0.339	C	S	.	.	H	α-helix	trans	-61.5	-37.3	178.4	-69.8	-12.8	0	0	0	113.1	F61 M107 Q154 F155 T160 E161 T162 F174 T178 L179	F61-Y158 HydrophobicContact CE2-CE2 4.09Å; F61-Y158 AromaticContact CZ-CE2 3.87Å; F61-Y158 HydrophobicContact CZ-CE2 3.87Å; M107-Y158 HydrophobicContact SD-CD2 3.78Å; M107-Y158 HydrophobicContact SD-CG 4.23Å; Q154-Y158 HydrophobicContact CG-CD2 4.11Å; Q154-Y158 HydrophobicContact CG-CE1 4.26Å; Q154-Y158 HydrophobicContact CG-CE2 3.61Å; Q154-Y158 PolarHBondContact NE2-OH 3.36Å; Q154-Y158 PolarHBondContact O-N 3.29Å; F155-Y158 HydrophobicContact CD1-CD2 4.29Å; F155-Y158 PolarHBondContact O-N 2.87Å; Y158-T160 VanDerWaalsContact C-N 3.3Å; Y158-T160 PolarHBondContact O-N 3.38Å; Y158-E161 PolarHBondContact O-N 3.17Å; Y158-T162 WeakPolarHBondContact O-CB 3.4Å; Y158-T162 VanDerWaalsContact O-CG2 3.3Å; Y158-T162 WeakPolarHBondContact O-CG2 3.23Å; Y158-T162 PolarHBondContact O-N 2.95Å; Y158-T162 PolarHBondContact O-OG1 2.82Å; Y158-F174 HydrophobicContact CD1-CE2 4.1Å; Y158-F174 AromaticContact CD1-CZ 3.75Å; Y158-F174 HydrophobicContact CD1-CZ 3.75Å; Y158-F174 HydrophobicContact CD2-CZ 4.44Å; Y158-F174 HydrophobicContact CE1-CZ 4.34Å; Y158-F174 AromaticContact CG-CZ 3.81Å; Y158-F174 HydrophobicContact CG-CZ 3.81Å; Y158-T178 HydrophobicContact CD1-CG2 4.2Å; Y158-T178 HydrophobicContact CE1-CG2 3.67Å; Y158-L179 HydrophobicContact CD2-CD2 4.25Å; Y158-L179 HydrophobicContact CE2-CD2 3.76Å
159	V	98.8	Very high	98.1	Very high	19 Å²	19	67.3 Å²	67.3	12%	0.115	37%	0.37	C	S	.	.	H	α-helix	trans	-58.7	-45.2	170.7	168.2	0	0	0	0	110.5	M107 N108 L111 F155 D157 T162 N163	M107-V159 HydrophobicContact CB-CG2 3.73Å; N108-V159 HydrophobicContact CB-CG2 4.37Å; N108-V159 WeakPolarHBondContact OD1-CG1 3.39Å; L111-V159 HydrophobicContact CD2-CG2 4.22Å; F155-V159 WeakPolarHBondContact O-CG2 3.48Å; F155-V159 PolarHBondContact O-N 2.8Å; D157-V159 VanDerWaalsContact C-N 3.32Å; D157-V159 PolarHBondContact O-N 2.69Å; V159-T162 PolarHBondContact O-OG1 3.45Å; V159-N163 WeakPolarHBondContact O-CB 3.47Å; V159-N163 PolarHBondContact O-N 2.98Å; V159-N163 PolarHBondContact O-ND2 3.12Å
160	T	98.7	Very high	98.1	Very high	73 Å²	73	62.3 Å²	62.3	45%	0.448	35%	0.35	S	S	.	.	H	α-helix	trans	-66.3	-42.4	179.6	-58.7	0	0	0	0	111.7	A156 D157 Y158 R164	A156-T160 PolarHBondContact O-N 3.23Å; A156-T160 PolarHBondContact O-OG1 2.79Å; A156-T160 VanDerWaalsContact O-OG1 3.12Å; D157-T160 CarbonylContact O-C 3.57Å; D157-T160 WeakPolarHBondContact O-CA 3.48Å; D157-T160 WeakPolarHBondContact O-CB 3.14Å; D157-T160 PolarHBondContact O-N 3.29Å; Y158-T160 VanDerWaalsContact C-N 3.3Å; Y158-T160 PolarHBondContact O-N 3.38Å; T160-R164 WeakPolarHBondContact O-CB 3.35Å; T160-R164 PolarHBondContact O-N 2.81Å
161	E	98.6	Very high	98.1	Very high	61 Å²	61	57.1 Å²	57.1	29%	0.285	32%	0.321	S	S	.	.	H	α-helix	trans	-69.8	-45.1	-177.8	-72.3	178.5	-179.8	0	0	112.3	D157 Y158 N163 R164 V165 F174 T178	D157-E161 WeakPolarHBondContact O-CG 3.36Å; D157-E161 PolarHBondContact O-N 3.21Å; Y158-E161 PolarHBondContact O-N 3.17Å; E161-N163 VanDerWaalsContact C-N 3.32Å; E161-N163 PolarHBondContact O-N 3.46Å; E161-R164 WeakPolarHBondContact O-CB 3.37Å; E161-R164 PolarHBondContact O-N 3.38Å; E161-V165 WeakPolarHBondContact O-CG1 3.44Å; E161-V165 WeakPolarHBondContact O-CG2 3.46Å; E161-V165 PolarHBondContact O-N 3.28Å; E161-F174 HydrophobicContact CB-CD2 4.1Å; E161-F174 HydrophobicContact CB-CE2 3.7Å; E161-F174 WeakPolarHBondContact OE2-CE2 3.36Å; E161-T178 WeakPolarHBondContact OE2-CG2 3.3Å
162	T	98.2	Very high	98	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62.3	-38.7	176.7	50.8	0	0	0	0	112	L103 M107 Y158 V159 V165 G166 F174	L103-T162 HydrophobicContact CB-CG2 3.92Å; M107-T162 HydrophobicContact CG-CG2 4.14Å; Y158-T162 WeakPolarHBondContact O-CB 3.4Å; Y158-T162 VanDerWaalsContact O-CG2 3.3Å; Y158-T162 WeakPolarHBondContact O-CG2 3.23Å; Y158-T162 PolarHBondContact O-N 2.95Å; Y158-T162 PolarHBondContact O-OG1 2.82Å; V159-T162 PolarHBondContact O-OG1 3.45Å; T162-V165 WeakPolarHBondContact O-CG2 3.5Å; T162-G166 PolarHBondContact O-N 3.48Å; T162-F174 HydrophobicContact CG2-CD1 3.84Å; T162-F174 HydrophobicContact CG2-CD2 3.98Å; T162-F174 HydrophobicContact CG2-CE1 3.66Å; T162-F174 HydrophobicContact CG2-CE2 3.82Å; T162-F174 HydrophobicContact CG2-CG 3.99Å; T162-F174 HydrophobicContact CG2-CZ 3.67Å
163	N	98.3	Very high	98	Very high	98 Å²	98	64.1 Å²	64.1	52%	0.524	35%	0.348	S	S	.	.	H	α-helix	trans	-63.6	-40.2	170.8	-84.6	-69.6	0	0	0	112.3	V104 V159 E161	V104-N163 WeakPolarHBondContact CG1-ND2 3.46Å; V159-N163 WeakPolarHBondContact O-CB 3.47Å; V159-N163 PolarHBondContact O-N 2.98Å; V159-N163 PolarHBondContact O-ND2 3.12Å; E161-N163 VanDerWaalsContact C-N 3.32Å; E161-N163 PolarHBondContact O-N 3.46Å
164	R	98.5	Very high	98	Very high	191 Å²	191	59 Å²	59	72%	0.721	33%	0.325	S	S	*	.	H	α-helix	trans	-67.8	-40.9	-177.4	-175.3	-177.1	-60.4	162.6	4.6	112.6	T160 E161	T160-R164 WeakPolarHBondContact O-CB 3.35Å; T160-R164 PolarHBondContact O-N 2.81Å; E161-R164 WeakPolarHBondContact O-CB 3.37Å; E161-R164 PolarHBondContact O-N 3.38Å
165	V	98.1	Very high	98	Very high	64 Å²	64	55.3 Å²	55.3	39%	0.388	31%	0.308	S	S	.	.	H	α-helix	trans	-75.7	-26.7	-178	-60.6	0	0	0	0	112.4	E161 T162 G170 Q171 F174	E161-V165 WeakPolarHBondContact O-CG1 3.44Å; E161-V165 WeakPolarHBondContact O-CG2 3.46Å; E161-V165 PolarHBondContact O-N 3.28Å; T162-V165 WeakPolarHBondContact O-CG2 3.5Å; V165-G170 VanDerWaalsContact CG2-C 3.45Å; V165-G170 WeakPolarHBondContact CG2-O 3.5Å; V165-G170 WeakPolarHBondContact O-CA 3.45Å; V165-Q171 HydrophobicContact CG2-CG 4.46Å; V165-F174 HydrophobicContact CG2-CB 4.21Å
166	G	96.6	Very high	97.9	Very high	29 Å²	29	58.7 Å²	58.7	30%	0.299	32%	0.323	S	S	.	.			trans	70.4	-179.7	-176.1	0	0	0	0	0	113.3	T162 G170 Q171	T162-G166 PolarHBondContact O-N 3.48Å; G166-G170 CarbonylContact O-C 3.53Å; G166-G170 WeakPolarHBondContact O-CA 3.25Å; G166-Q171 WeakPolarHBondContact O-CG 3.44Å; G166-Q171 PolarHBondContact O-N 3.2Å
167	S	95.2	Very high	97.8	Very high	98 Å²	98	64 Å²	64	69%	0.685	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	174.1	-174.7	62.4	0	0	0	0	113.8	L169 G170	S167-L169 PolarHBondContact O-N 3.34Å; S167-G170 PolarHBondContact O-N 3.37Å
168	G	95.1	Very high	97.7	Very high	55 Å²	55	63.1 Å²	63.1	57%	0.567	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	-117.7	177.9	0	0	0	0	0	112.1	G170 Y172	G168-G170 PolarHBondContact O-N 3.21Å; G168-Y172 WeakPolarHBondContact O-CB 3.2Å; G168-Y172 PolarHBondContact O-N 2.6Å
169	L	97.8	Very high	97.5	Very high	125 Å²	125	62 Å²	62	65%	0.654	34%	0.336	S	S	*	.	H	α-helix	trans	-58.8	-34.5	-179.1	-179	60.9	0	0	0	112.4	S167 Y172 L173	S167-L169 PolarHBondContact O-N 3.34Å; L169-Y172 HydrophobicContact CD1-CD1 4.25Å; L169-Y172 PolarHBondContact O-N 2.95Å; L169-L173 HydrophobicContact CD1-CD1 4.32Å; L169-L173 HydrophobicContact CD1-CG 4.16Å; L169-L173 HydrophobicContact CG-CD1 4.18Å; L169-L173 HydrophobicContact CG-CG 4.43Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.31Å; L169-L173 PolarHBondContact O-N 2.73Å
170	G	98.2	Very high	96.5	Very high	12 Å²	12	69.1 Å²	69.1	12%	0.124	37%	0.366	C	S	.	.	H	α-helix	trans	-62.7	-57.5	-179.2	0	0	0	0	0	112.8	V165 G166 S167 G168 Y172 L173 F174	V165-G170 VanDerWaalsContact CG2-C 3.45Å; V165-G170 WeakPolarHBondContact CG2-O 3.5Å; V165-G170 WeakPolarHBondContact O-CA 3.45Å; G166-G170 CarbonylContact O-C 3.53Å; G166-G170 WeakPolarHBondContact O-CA 3.25Å; S167-G170 PolarHBondContact O-N 3.37Å; G168-G170 PolarHBondContact O-N 3.21Å; G170-Y172 VanDerWaalsContact C-N 3.29Å; G170-Y172 PolarHBondContact O-N 2.73Å; G170-L173 PolarHBondContact O-N 3.34Å; G170-L173 VanDerWaalsContact O-N 3.13Å; G170-F174 PolarHBondContact O-N 2.96Å
171	Q	98.3	Very high	94.5	Very high	8 Å²	8	73.4 Å²	73.4	4%	0.037	38%	0.381	C	S	.	.	H	α-helix	trans	-62.7	-34.2	175.5	-82.6	-178.5	33.6	0	0	112.9	F55 D102 L103 V165 G166 L173 F174 D175	F55-Q171 HydrophobicContact CE1-CB 4.19Å; F55-Q171 HydrophobicContact CZ-CB 4.09Å; D102-Q171 PolarHBondContact OD2-NE2 2.76Å; D102-Q171 VanDerWaalsContact OD2-NE2 3.08Å; L103-Q171 HydrophobicContact CB-CG 4.13Å; L103-Q171 HydrophobicContact CD1-CB 3.9Å; L103-Q171 HydrophobicContact CD1-CG 4.04Å; L103-Q171 HydrophobicContact CG-CG 4.41Å; V165-Q171 HydrophobicContact CG2-CG 4.46Å; G166-Q171 WeakPolarHBondContact O-CG 3.44Å; G166-Q171 PolarHBondContact O-N 3.2Å; Q171-L173 VanDerWaalsContact C-N 3.35Å; Q171-L173 PolarHBondContact O-N 3.13Å; Q171-F174 PolarHBondContact O-N 3.48Å; Q171-D175 PolarHBondContact O-N 3.41Å
172	Y	97.8	Very high	94.3	Very high	122 Å²	122	74.1 Å²	74.1	48%	0.478	39%	0.386	S	S	.	.	H	α-helix	trans	-58.8	-45.6	171.1	175.8	-94.6	0	0	0	111.8	G168 L169 G170 D175 K176	G168-Y172 WeakPolarHBondContact O-CB 3.2Å; G168-Y172 PolarHBondContact O-N 2.6Å; L169-Y172 HydrophobicContact CD1-CD1 4.25Å; L169-Y172 PolarHBondContact O-N 2.95Å; G170-Y172 VanDerWaalsContact C-N 3.29Å; G170-Y172 PolarHBondContact O-N 2.73Å; Y172-D175 PolarHBondContact O-N 3.47Å; Y172-K176 HydrophobicContact CE1-CG 4.08Å; Y172-K176 HydrophobicContact CE2-CG 4.31Å; Y172-K176 WeakPolarHBondContact O-CG 3.41Å; Y172-K176 PolarHBondContact O-N 3.03Å; Y172-K176 VanDerWaalsContact O-N 3.09Å
173	L	98	Very high	94.1	Very high	75 Å²	75	77.9 Å²	77.9	39%	0.393	41%	0.406	S	S	.	.	H	α-helix	trans	-68	-36.7	176.9	-69.3	174.9	0	0	0	112.1	L169 G170 Q171 K176 M177	L169-L173 HydrophobicContact CD1-CD1 4.32Å; L169-L173 HydrophobicContact CD1-CG 4.16Å; L169-L173 HydrophobicContact CG-CD1 4.18Å; L169-L173 HydrophobicContact CG-CG 4.43Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.31Å; L169-L173 PolarHBondContact O-N 2.73Å; G170-L173 PolarHBondContact O-N 3.34Å; G170-L173 VanDerWaalsContact O-N 3.13Å; Q171-L173 VanDerWaalsContact C-N 3.35Å; Q171-L173 PolarHBondContact O-N 3.13Å; L173-K176 PolarHBondContact O-N 3.43Å; L173-M177 HydrophobicContact CB-SD 4.47Å; L173-M177 HydrophobicContact CD2-SD 4.06Å; L173-M177 VanDerWaalsContact O-CB 3.23Å; L173-M177 WeakPolarHBondContact O-CB 3.38Å; L173-M177 WeakPolarHBondContact O-CG 3.39Å; L173-M177 PolarHBondContact O-N 2.99Å
174	F	98.3	Very high	93.9	Very high	3 Å²	3	76.8 Å²	76.8	1%	0.013	40%	0.399	C	S	.	.	H	α-helix	trans	-60.1	-47.8	174.4	-179.5	-85.6	0	0	0	111.7	L103 M107 Y158 E161 T162 V165 G170 Q171 K176 T178 L179	L103-F174 HydrophobicContact CD1-CD1 3.88Å; M107-F174 HydrophobicContact CE-CE1 4.2Å; Y158-F174 HydrophobicContact CD1-CE2 4.1Å; Y158-F174 AromaticContact CD1-CZ 3.75Å; Y158-F174 HydrophobicContact CD1-CZ 3.75Å; Y158-F174 HydrophobicContact CD2-CZ 4.44Å; Y158-F174 HydrophobicContact CE1-CZ 4.34Å; Y158-F174 AromaticContact CG-CZ 3.81Å; Y158-F174 HydrophobicContact CG-CZ 3.81Å; E161-F174 HydrophobicContact CB-CD2 4.1Å; E161-F174 HydrophobicContact CB-CE2 3.7Å; E161-F174 WeakPolarHBondContact OE2-CE2 3.36Å; T162-F174 HydrophobicContact CG2-CD1 3.84Å; T162-F174 HydrophobicContact CG2-CD2 3.98Å; T162-F174 HydrophobicContact CG2-CE1 3.66Å; T162-F174 HydrophobicContact CG2-CE2 3.82Å; T162-F174 HydrophobicContact CG2-CG 3.99Å; T162-F174 HydrophobicContact CG2-CZ 3.67Å; V165-F174 HydrophobicContact CG2-CB 4.21Å; G170-F174 PolarHBondContact O-N 2.96Å; Q171-F174 PolarHBondContact O-N 3.48Å; F174-K176 VanDerWaalsContact C-N 3.33Å; F174-K176 PolarHBondContact O-N 3.02Å; F174-T178 HydrophobicContact CD2-CG2 4.07Å; F174-T178 HydrophobicContact CE2-CG2 3.6Å; F174-T178 HydrophobicContact CZ-CG2 3.96Å; F174-T178 WeakPolarHBondContact O-CA 3.41Å; F174-T178 VanDerWaalsContact O-CB 3.29Å; F174-T178 WeakPolarHBondContact O-CB 3.45Å; F174-T178 PolarHBondContact O-N 3.26Å; F174-L179 HydrophobicContact CD1-CD1 4.24Å; F174-L179 HydrophobicContact CD1-CG 4.08Å; F174-L179 HydrophobicContact CE1-CD1 3.87Å; F174-L179 HydrophobicContact CE1-CD2 3.71Å; F174-L179 HydrophobicContact CE1-CG 3.61Å; F174-L179 HydrophobicContact CZ-CD2 4.09Å; F174-L179 HydrophobicContact CZ-CG 4.37Å; F174-L179 PolarHBondContact O-N 3.42Å
175	D	98.4	Very high	93.6	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-55.2	-49.2	173.7	175.9	81.5	0	0	0	110.7	F55 K57 A58 Q171 Y172	F55-D175 WeakPolarHBondContact CA-OD1 3.48Å; F55-D175 WeakPolarHBondContact CB-OD1 3.4Å; F55-D175 HydrophobicContact CD1-CB 3.64Å; F55-D175 HydrophobicContact CE1-CB 4.3Å; K57-D175 WeakPolarHBondContact CA-OD1 3.48Å; K57-D175 WeakPolarHBondContact CB-O 3.49Å; K57-D175 WeakPolarHBondContact CB-OD1 3.5Å; K57-D175 WeakPolarHBondContact CG-O 3.38Å; K57-D175 PolarHBondContact N-OD1 2.96Å; A58-D175 PolarHBondContact N-OD1 3.05Å; Q171-D175 PolarHBondContact O-N 3.41Å; Y172-D175 PolarHBondContact O-N 3.47Å
176	K	97	Very high	93.3	Very high	78 Å²	78	70.5 Å²	70.5	34%	0.339	38%	0.38	S	S	.	.	H	α-helix	trans	-74.4	-33.6	-174.8	-63.3	-56.8	173.8	-133.6	0	115.3	Y172 L173 F174	Y172-K176 HydrophobicContact CE1-CG 4.08Å; Y172-K176 HydrophobicContact CE2-CG 4.31Å; Y172-K176 WeakPolarHBondContact O-CG 3.41Å; Y172-K176 PolarHBondContact O-N 3.03Å; Y172-K176 VanDerWaalsContact O-N 3.09Å; L173-K176 PolarHBondContact O-N 3.43Å; F174-K176 VanDerWaalsContact C-N 3.33Å; F174-K176 PolarHBondContact O-N 3.02Å
177	M	96.4	Very high	93.1	Very high	144 Å²	144	73.3 Å²	73.3	71%	0.709	39%	0.385	S	S	*	.	H	α-helix	trans	-110.8	-26.9	-166.6	-58.7	-175.3	69.5	0	0	113.7	L173	L173-M177 HydrophobicContact CB-SD 4.47Å; L173-M177 HydrophobicContact CD2-SD 4.06Å; L173-M177 VanDerWaalsContact O-CB 3.23Å; L173-M177 WeakPolarHBondContact O-CB 3.38Å; L173-M177 WeakPolarHBondContact O-CG 3.39Å; L173-M177 PolarHBondContact O-N 2.99Å
178	T	96.5	Very high	93	Very high	43 Å²	43	71.5 Å²	71.5	26%	0.264	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-49.9	-175.6	-57.3	0	0	0	0	112	Y158 E161 F174 K180	Y158-T178 HydrophobicContact CD1-CG2 4.2Å; Y158-T178 HydrophobicContact CE1-CG2 3.67Å; E161-T178 WeakPolarHBondContact OE2-CG2 3.3Å; F174-T178 HydrophobicContact CD2-CG2 4.07Å; F174-T178 HydrophobicContact CE2-CG2 3.6Å; F174-T178 HydrophobicContact CZ-CG2 3.96Å; F174-T178 WeakPolarHBondContact O-CA 3.41Å; F174-T178 VanDerWaalsContact O-CB 3.29Å; F174-T178 WeakPolarHBondContact O-CB 3.45Å; F174-T178 PolarHBondContact O-N 3.26Å; T178-K180 PolarHBondContact O-N 3.08Å
179	L	95.6	Very high	92.8	Very high	3 Å²	3	72.8 Å²	72.8	2%	0.016	35%	0.348	C	S	.	.	S	Bend	trans	-72.4	94.2	179.7	-61.7	-178.4	0	0	0	109.1	K57 A58 F61 M107 Y158 F174	K57-L179 HydrophobicContact CB-CB 4Å; A58-L179 HydrophobicContact CB-CD1 3.64Å; F61-L179 HydrophobicContact CD2-CD2 4.32Å; F61-L179 HydrophobicContact CG-CD2 4.25Å; M107-L179 HydrophobicContact CE-CD1 4.3Å; M107-L179 HydrophobicContact CE-CD2 4.35Å; Y158-L179 HydrophobicContact CD2-CD2 4.25Å; Y158-L179 HydrophobicContact CE2-CD2 3.76Å; F174-L179 HydrophobicContact CD1-CD1 4.24Å; F174-L179 HydrophobicContact CD1-CG 4.08Å; F174-L179 HydrophobicContact CE1-CD1 3.87Å; F174-L179 HydrophobicContact CE1-CD2 3.71Å; F174-L179 HydrophobicContact CE1-CG 3.61Å; F174-L179 HydrophobicContact CZ-CD2 4.09Å; F174-L179 HydrophobicContact CZ-CG 4.37Å; F174-L179 PolarHBondContact O-N 3.42Å
180	K	77.2	Confident	92.4	Very high	169 Å²	169	68.4 Å²	68.4	74%	0.735	32%	0.323	S	S	*	.			trans	-70.9	146.7	176.9	-65	178.4	-175	173	0	109.7	T178	T178-K180 PolarHBondContact O-N 3.08Å
181	E	57	Low	91.9	Very high	164 Å²	164	73.5 Å²	73.5	77%	0.766	34%	0.341	S	S	*	.			trans	-69.8	0	156.4	-67.5	172	-172.5	0	0	107.9	K57 E60 K64	K57-E181 HydrophobicContact CD-CG 4.19Å; K57-E181 IonicContact NZ-OE1 2.8Å; K57-E181 PolarHBondContact NZ-OE1 3.32Å; K57-E181 IonicContact NZ-OE2 3.06Å; E60-E181 HydrophobicContact CG-CG 4.3Å; K64-E181 PolarHBondContact NZ-OXT 3.26Å

Retrieved 181 of 181 residues in 169.9 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).