A0A077Z533_TRITR Loading...

Muscarinic acetylcholine receptor DM1

AlphaFold DB , UniProt , Accession A0A077Z533, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 673 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	35.1	Very low	56.2	Low	216 Å²	216	134.3 Å²	134.3	100%	1.064	66%	0.655	S	S	*	*				0	128	0	-79	-169.1	-179.1	0	0	109.5
2	P	35.9	Very low	57.7	Low	113 Å²	113	131 Å²	131	73%	0.734	64%	0.643	S	S	*	*			trans	-65.3	145.9	173.9	28.4	-30.8	0	0	0	109.6	F4	P2-F4 PolarHBondContact O-N 3.19Å
3	R	39.1	Very low	58.4	Low	210 Å²	210	127.4 Å²	127.4	79%	0.792	64%	0.635	S	S	*	*			trans	-60.7	104.3	176.7	-71.3	176.7	-179	167	3.5	108.3	R5	R3-R5 PolarHBondContact O-N 3.11Å
4	F	41.8	Very low	59.3	Low	195 Å²	195	120.5 Å²	120.5	86%	0.855	60%	0.601	S	S	*	*			trans	-55.1	103.2	165.6	-93.8	-93.9	0	0	0	108.2	P2	P2-F4 PolarHBondContact O-N 3.19Å
5	R	49.2	Very low	59.6	Low	151 Å²	151	116.6 Å²	116.6	57%	0.57	59%	0.59	S	S	*	*			trans	-103.8	113.5	164.9	-67.1	-168.5	-155.1	-168.6	8.5	105.1	R3 R7	R3-R5 PolarHBondContact O-N 3.11Å; R5-R7 PolarHBondContact O-N 3.41Å
6	V	57.5	Low	59.7	Low	75 Å²	75	111.8 Å²	111.8	46%	0.455	57%	0.573	S	S	.	*			trans	-62.3	125.8	169.2	-174.8	0	0	0	0	106.8	I14 A19	V6-I14 HydrophobicContact CG1-CD1 4.29Å; V6-I14 PolarHBondContact O-N 3.05Å; V6-A19 HydrophobicContact CB-CB 4.31Å; V6-A19 HydrophobicContact CG1-CB 3.93Å
7	R	68.5	Low	59.2	Low	152 Å²	152	107.1 Å²	107.1	57%	0.574	55%	0.553	S	S	*	*	B	Isolated β-bridge	trans	-119	149.6	179.5	-71.7	175.7	179.8	-133.4	16.3	109.4	R5 G11 N12 I14	R5-R7 PolarHBondContact O-N 3.41Å; R7-G11 WeakPolarHBondContact CD-O 3.44Å; R7-G11 PolarHBondContact NH1-O 2.96Å; R7-N12 CarbonylContact C-O 3.48Å; R7-N12 WeakPolarHBondContact CA-O 3.14Å; R7-I14 VanDerWaalsContact C-CD1 3.45Å
8	D	68.4	Low	59.6	Low	50 Å²	50	103.8 Å²	103.8	27%	0.267	54%	0.537	S	S	.	.			trans	-72.8	177.5	172.3	65.8	10.5	0	0	0	110.9	G10 G11 N12 I14	D8-G10 PolarHBondContact O-N 3.35Å; D8-G10 VanDerWaalsContact O-N 3.14Å; D8-G10 VanDerWaalsContact OD1-CA 3.27Å; D8-G10 WeakPolarHBondContact OD1-CA 3.38Å; D8-G10 PolarHBondContact OD1-N 3.17Å; D8-G11 PolarHBondContact O-N 3.46Å; D8-G11 PolarHBondContact OD1-N 3.01Å; D8-N12 PolarHBondContact N-O 3.03Å; D8-N12 WeakPolarHBondContact OD1-CB 3.48Å; D8-N12 PolarHBondContact OD1-N 3.09Å; D8-N12 WeakPolarHBondContact OD2-CB 3.41Å; D8-N12 PolarHBondContact OD2-ND2 2.89Å; D8-I14 VanDerWaalsContact CA-CD1 3.45Å; D8-I14 HydrophobicContact CB-CD1 3.65Å; D8-I14 HydrophobicContact CB-CG1 3.83Å
9	K	73.3	Confident	59.8	Low	227 Å²	227	99.3 Å²	99.3	99%	0.987	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.7	175.1	-69.6	-173.5	177.9	-179.4	0	112.9
10	G	75.3	Confident	59.6	Low	60 Å²	60	94.5 Å²	94.5	62%	0.619	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	4.6	175.6	0	0	0	0	0	114.4	D8 N12	D8-G10 PolarHBondContact O-N 3.35Å; D8-G10 VanDerWaalsContact O-N 3.14Å; D8-G10 VanDerWaalsContact OD1-CA 3.27Å; D8-G10 WeakPolarHBondContact OD1-CA 3.38Å; D8-G10 PolarHBondContact OD1-N 3.17Å; G10-N12 VanDerWaalsContact C-N 3.31Å; G10-N12 PolarHBondContact O-N 3.33Å
11	G	74.1	Confident	59.8	Low	28 Å²	28	92.7 Å²	92.7	29%	0.289	48%	0.482	S	S	.	.	S	Bend	trans	78.4	6.6	179.7	0	0	0	0	0	115.2	R7 D8	R7-G11 WeakPolarHBondContact CD-O 3.44Å; R7-G11 PolarHBondContact NH1-O 2.96Å; D8-G11 PolarHBondContact O-N 3.46Å; D8-G11 PolarHBondContact OD1-N 3.01Å
12	N	74.6	Confident	61.6	Low	95 Å²	95	88.7 Å²	88.7	51%	0.508	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-79	137.3	178.2	-58.4	-59.6	0	0	0	111	R7 D8 G10 I14	R7-N12 CarbonylContact C-O 3.48Å; R7-N12 WeakPolarHBondContact CA-O 3.14Å; D8-N12 PolarHBondContact N-O 3.03Å; D8-N12 WeakPolarHBondContact OD1-CB 3.48Å; D8-N12 PolarHBondContact OD1-N 3.09Å; D8-N12 WeakPolarHBondContact OD2-CB 3.41Å; D8-N12 PolarHBondContact OD2-ND2 2.89Å; G10-N12 VanDerWaalsContact C-N 3.31Å; G10-N12 PolarHBondContact O-N 3.33Å; N12-I14 PolarHBondContact O-N 3.47Å
13	P	67	Low	63.1	Low	84 Å²	84	88.6 Å²	88.6	55%	0.545	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-65.9	118.3	177.3	25.7	-31.6	0	0	0	111.2
14	I	70.2	Confident	63.6	Low	31 Å²	31	78.9 Å²	78.9	16%	0.159	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-84.4	144.6	177.9	-61.1	166.8	0	0	0	110.1	V6 R7 D8 N12 D18 A19	V6-I14 HydrophobicContact CG1-CD1 4.29Å; V6-I14 PolarHBondContact O-N 3.05Å; R7-I14 VanDerWaalsContact C-CD1 3.45Å; D8-I14 VanDerWaalsContact CA-CD1 3.45Å; D8-I14 HydrophobicContact CB-CD1 3.65Å; D8-I14 HydrophobicContact CB-CG1 3.83Å; N12-I14 PolarHBondContact O-N 3.47Å; I14-D18 HydrophobicContact CG2-CB 3.46Å; I14-D18 VanDerWaalsContact CG2-CB 3.46Å; I14-D18 WeakPolarHBondContact CG2-OD2 3.31Å; I14-A19 HydrophobicContact CG2-CB 4.19Å
15	S	63.9	Low	64.8	Low	62 Å²	62	73 Å²	73	43%	0.434	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-70.7	145.4	170.9	79.8	0	0	0	0	111.1	S17 D18 A19	S15-S17 PolarHBondContact O-N 3.4Å; S15-S17 VanDerWaalsContact O-N 3.09Å; S15-S17 PolarHBondContact OG-OG 3Å; S15-S17 VanDerWaalsContact OG-OG 3.06Å; S15-D18 WeakPolarHBondContact O-CA 3.42Å; S15-D18 PolarHBondContact O-N 3.09Å; S15-D18 WeakPolarHBondContact OG-CB 3.15Å; S15-D18 PolarHBondContact OG-N 2.83Å; S15-A19 PolarHBondContact O-N 3.25Å
16	A	60.8	Low	65.6	Low	39 Å²	39	67.8 Å²	67.8	32%	0.322	37%	0.373	S	S	.	.	H	α-helix	trans	-54.8	-34.2	-179.4	0	0	0	0	0	114.1	M20 L639	A16-M20 WeakPolarHBondContact O-CB 3.39Å; A16-M20 PolarHBondContact O-N 2.8Å; A16-L639 HydrophobicContact CB-CB 4.24Å; A16-L639 WeakPolarHBondContact CB-O 3.43Å
17	S	52.1	Low	65.3	Low	32 Å²	32	65.6 Å²	65.6	22%	0.224	36%	0.358	C	S	.	.	H	α-helix	trans	-67.7	-36.7	174.5	47.8	0	0	0	0	112.8	S15 L21	S15-S17 PolarHBondContact O-N 3.4Å; S15-S17 VanDerWaalsContact O-N 3.09Å; S15-S17 PolarHBondContact OG-OG 3Å; S15-S17 VanDerWaalsContact OG-OG 3.06Å; S17-L21 WeakPolarHBondContact O-CB 3.41Å; S17-L21 PolarHBondContact O-N 3.39Å
18	D	65.8	Low	64.8	Low	49 Å²	49	60.6 Å²	60.6	26%	0.262	34%	0.344	S	S	.	.	H	α-helix	trans	-75.8	-36.2	177.9	-174.6	71.3	0	0	0	111.5	I14 S15 M20 L21 R22	I14-D18 HydrophobicContact CG2-CB 3.46Å; I14-D18 VanDerWaalsContact CG2-CB 3.46Å; I14-D18 WeakPolarHBondContact CG2-OD2 3.31Å; S15-D18 WeakPolarHBondContact O-CA 3.42Å; S15-D18 PolarHBondContact O-N 3.09Å; S15-D18 WeakPolarHBondContact OG-CB 3.15Å; S15-D18 PolarHBondContact OG-N 2.83Å; D18-M20 VanDerWaalsContact C-N 3.29Å; D18-M20 PolarHBondContact O-N 2.8Å; D18-L21 PolarHBondContact O-N 3.49Å; D18-R22 WeakPolarHBondContact O-CB 3.32Å; D18-R22 VanDerWaalsContact O-CG 3.26Å; D18-R22 WeakPolarHBondContact O-CG 3.2Å; D18-R22 PolarHBondContact O-N 3.08Å; D18-R22 IonicContact OD2-CZ 3.81Å; D18-R22 IonicContact OD2-NE 3.89Å; D18-R22 PolarHBondContact OD2-NE 3.43Å; D18-R22 IonicContact OD2-NH2 2.89Å
19	A	63.9	Low	64.8	Low	18 Å²	18	62.3 Å²	62.3	15%	0.149	35%	0.354	C	S	.	.	H	α-helix	trans	-60.9	-41.2	171.4	0	0	0	0	0	111.5	V6 I14 S15 F23	V6-A19 HydrophobicContact CB-CB 4.31Å; V6-A19 HydrophobicContact CG1-CB 3.93Å; I14-A19 HydrophobicContact CG2-CB 4.19Å; S15-A19 PolarHBondContact O-N 3.25Å; A19-F23 WeakPolarHBondContact O-CB 3.48Å; A19-F23 PolarHBondContact O-N 2.8Å
20	M	55.9	Low	64.4	Low	3 Å²	3	55.9 Å²	55.9	2%	0.015	33%	0.33	C	S	.	.	H	α-helix	trans	-70.5	-40.9	176.4	-166	141.8	69.3	0	0	112.5	A16 D18 R22 F23 L24 A588 C636 L639 C640	A16-M20 WeakPolarHBondContact O-CB 3.39Å; A16-M20 PolarHBondContact O-N 2.8Å; D18-M20 VanDerWaalsContact C-N 3.29Å; D18-M20 PolarHBondContact O-N 2.8Å; M20-R22 VanDerWaalsContact C-N 3.31Å; M20-R22 PolarHBondContact O-N 2.88Å; M20-F23 WeakPolarHBondContact O-CB 3.4Å; M20-F23 PolarHBondContact O-N 2.99Å; M20-L24 HydrophobicContact CG-CD1 4.35Å; M20-L24 VanDerWaalsContact O-CG 3.26Å; M20-L24 WeakPolarHBondContact O-CG 3.38Å; M20-L24 PolarHBondContact O-N 3.36Å; M20-A588 HydrophobicContact CE-CB 3.8Å; M20-C636 HydrophobicContact CE-CB 3.67Å; M20-C636 WeakPolarHBondContact CE-SG 3.44Å; M20-C636 VanDerWaalsContact SD-CA 3.57Å; M20-C636 HydrophobicContact SD-CB 3.98Å; M20-C636 PolarHBondContact SD-SG 3.28Å; M20-L639 HydrophobicContact CB-CD1 4.47Å; M20-L639 HydrophobicContact SD-CD1 4Å; M20-C640 VanDerWaalsContact CE-SG 3.51Å
21	L	62.9	Low	63.2	Low	57 Å²	57	54.9 Å²	54.9	30%	0.298	31%	0.31	S	S	.	.	H	α-helix	trans	-55.6	-47.6	172.7	176.2	62.8	0	0	0	111.3	S17 D18 F23 L24 I25 L591	S17-L21 WeakPolarHBondContact O-CB 3.41Å; S17-L21 PolarHBondContact O-N 3.39Å; D18-L21 PolarHBondContact O-N 3.49Å; L21-F23 VanDerWaalsContact C-N 3.33Å; L21-F23 PolarHBondContact O-N 2.7Å; L21-L24 PolarHBondContact O-N 2.84Å; L21-I25 HydrophobicContact CD1-CD1 3.92Å; L21-I25 HydrophobicContact CD1-CG1 4.29Å; L21-I25 HydrophobicContact CG-CD1 3.86Å; L21-I25 WeakPolarHBondContact O-CG1 3.49Å; L21-I25 PolarHBondContact O-N 3.31Å; L21-L591 HydrophobicContact CD1-CD2 3.28Å
22	R	73.7	Confident	62.9	Low	132 Å²	132	58.9 Å²	58.9	50%	0.498	32%	0.322	S	S	.	.	H	α-helix	trans	-63	-38.2	177.1	-70.8	169.2	-176.8	-82.9	-1.6	112.7	D18 M20 A26	D18-R22 WeakPolarHBondContact O-CB 3.32Å; D18-R22 VanDerWaalsContact O-CG 3.26Å; D18-R22 WeakPolarHBondContact O-CG 3.2Å; D18-R22 PolarHBondContact O-N 3.08Å; D18-R22 IonicContact OD2-CZ 3.81Å; D18-R22 IonicContact OD2-NE 3.89Å; D18-R22 PolarHBondContact OD2-NE 3.43Å; D18-R22 IonicContact OD2-NH2 2.89Å; M20-R22 VanDerWaalsContact C-N 3.31Å; M20-R22 PolarHBondContact O-N 2.88Å; R22-A26 VanDerWaalsContact O-CB 3.28Å; R22-A26 WeakPolarHBondContact O-CB 3.09Å; R22-A26 PolarHBondContact O-N 3.35Å
23	F	66.4	Low	62.3	Low	110 Å²	110	62.1 Å²	62.1	48%	0.482	33%	0.327	S	S	.	.	H	α-helix	trans	-64.1	-43.1	174.8	177.1	-106	0	0	0	111.7	A19 M20 L21 A26 I27	A19-F23 WeakPolarHBondContact O-CB 3.48Å; A19-F23 PolarHBondContact O-N 2.8Å; M20-F23 WeakPolarHBondContact O-CB 3.4Å; M20-F23 PolarHBondContact O-N 2.99Å; L21-F23 VanDerWaalsContact C-N 3.33Å; L21-F23 PolarHBondContact O-N 2.7Å; F23-A26 PolarHBondContact O-N 3.2Å; F23-I27 HydrophobicContact CD1-CD1 3.93Å; F23-I27 HydrophobicContact CE1-CD1 3.42Å; F23-I27 VanDerWaalsContact CE1-CD1 3.42Å; F23-I27 HydrophobicContact CE2-CD1 4.22Å; F23-I27 HydrophobicContact CZ-CD1 3.6Å; F23-I27 HydrophobicContact CZ-CG1 4.41Å; F23-I27 WeakPolarHBondContact O-CG1 3.34Å; F23-I27 PolarHBondContact O-N 2.92Å
24	L	51	Low	61.9	Low	6 Å²	6	62.5 Å²	62.5	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-65.5	-43.6	176.6	-66.2	167.6	0	0	0	112.1	M20 L21 I27 V28 A592 L595 I632	M20-L24 HydrophobicContact CG-CD1 4.35Å; M20-L24 VanDerWaalsContact O-CG 3.26Å; M20-L24 WeakPolarHBondContact O-CG 3.38Å; M20-L24 PolarHBondContact O-N 3.36Å; L21-L24 PolarHBondContact O-N 2.84Å; L24-I27 PolarHBondContact O-N 3.18Å; L24-V28 WeakPolarHBondContact O-CG2 3.23Å; L24-V28 PolarHBondContact O-N 2.98Å; L24-V28 VanDerWaalsContact O-N 3.09Å; L24-A592 HydrophobicContact CD1-CB 3.6Å; L24-A592 HydrophobicContact CD2-CB 3.9Å; L24-A592 HydrophobicContact CG-CB 4.42Å; L24-L595 HydrophobicContact CB-CD1 4.29Å; L24-I632 HydrophobicContact CD2-CD1 3.49Å; L24-I632 VanDerWaalsContact CD2-CD1 3.49Å; L24-I632 HydrophobicContact CD2-CG1 4.28Å; L24-I632 HydrophobicContact CD2-CG2 4.21Å
25	I	66.2	Low	61.3	Low	72 Å²	72	62.7 Å²	62.7	37%	0.369	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-45.6	175.3	-68.4	167.9	0	0	0	110.1	L21 I27 V28 D29	L21-I25 HydrophobicContact CD1-CD1 3.92Å; L21-I25 HydrophobicContact CD1-CG1 4.29Å; L21-I25 HydrophobicContact CG-CD1 3.86Å; L21-I25 WeakPolarHBondContact O-CG1 3.49Å; L21-I25 PolarHBondContact O-N 3.31Å; I25-I27 VanDerWaalsContact C-N 3.28Å; I25-I27 PolarHBondContact O-N 2.77Å; I25-V28 PolarHBondContact O-N 3.42Å; I25-D29 PolarHBondContact O-N 3.06Å
26	A	65.6	Low	61	Low	41 Å²	41	64 Å²	64	34%	0.339	33%	0.329	S	S	.	.	H	α-helix	trans	-59.5	-38.3	177.9	0	0	0	0	0	112.5	R22 F23 D30	R22-A26 VanDerWaalsContact O-CB 3.28Å; R22-A26 WeakPolarHBondContact O-CB 3.09Å; R22-A26 PolarHBondContact O-N 3.35Å; F23-A26 PolarHBondContact O-N 3.2Å; A26-D30 VanDerWaalsContact O-CB 3.26Å; A26-D30 WeakPolarHBondContact O-CB 3.06Å; A26-D30 VanDerWaalsContact O-CG 3.26Å; A26-D30 PolarHBondContact O-N 3.03Å
27	I	52.1	Low	60.8	Low	30 Å²	30	68.6 Å²	68.6	15%	0.154	34%	0.342	C	S	.	.	H	α-helix	trans	-62.2	-44.9	173.4	-71.5	170.2	0	0	0	110.9	F23 L24 I25 L31 L625 L628	F23-I27 HydrophobicContact CD1-CD1 3.93Å; F23-I27 HydrophobicContact CE1-CD1 3.42Å; F23-I27 VanDerWaalsContact CE1-CD1 3.42Å; F23-I27 HydrophobicContact CE2-CD1 4.22Å; F23-I27 HydrophobicContact CZ-CD1 3.6Å; F23-I27 HydrophobicContact CZ-CG1 4.41Å; F23-I27 WeakPolarHBondContact O-CG1 3.34Å; F23-I27 PolarHBondContact O-N 2.92Å; L24-I27 PolarHBondContact O-N 3.18Å; I25-I27 VanDerWaalsContact C-N 3.28Å; I25-I27 PolarHBondContact O-N 2.77Å; I27-L31 HydrophobicContact CG2-CD1 3.94Å; I27-L31 WeakPolarHBondContact O-CB 3.45Å; I27-L31 WeakPolarHBondContact O-CG 3.29Å; I27-L31 PolarHBondContact O-N 2.9Å; I27-L625 HydrophobicContact CG2-CD1 4.32Å; I27-L628 HydrophobicContact CG2-CD1 4.01Å
28	V	58.4	Low	60.6	Low	46 Å²	46	69.3 Å²	69.3	28%	0.279	36%	0.355	S	S	.	.	H	α-helix	trans	-66	-46.5	179.1	174.8	0	0	0	0	111	L24 I25 D30 L31 E32	L24-V28 WeakPolarHBondContact O-CG2 3.23Å; L24-V28 PolarHBondContact O-N 2.98Å; L24-V28 VanDerWaalsContact O-N 3.09Å; I25-V28 PolarHBondContact O-N 3.42Å; V28-D30 VanDerWaalsContact C-N 3.32Å; V28-D30 PolarHBondContact O-N 3.29Å; V28-L31 WeakPolarHBondContact O-CB 3.32Å; V28-L31 PolarHBondContact O-N 3.16Å; V28-L31 VanDerWaalsContact O-N 3.14Å; V28-E32 WeakPolarHBondContact O-CB 3.5Å; V28-E32 PolarHBondContact O-N 3.48Å
29	D	67.2	Low	59.4	Low	87 Å²	87	73.4 Å²	73.4	47%	0.465	37%	0.371	S	S	.	.	H	α-helix	trans	-60.8	-40.9	177.6	-68.2	-7.7	0	0	0	111.3	I25 L31 E32 R33	I25-D29 PolarHBondContact O-N 3.06Å; D29-L31 VanDerWaalsContact C-N 3.34Å; D29-E32 PolarHBondContact O-N 3.44Å; D29-R33 WeakPolarHBondContact O-CB 3.3Å; D29-R33 PolarHBondContact O-N 2.96Å
30	D	65.9	Low	58.3	Low	92 Å²	92	76 Å²	76	49%	0.492	39%	0.387	S	S	.	.	H	α-helix	trans	-65.5	-38.5	176.2	-79.3	-22.1	0	0	0	111.2	A26 V28 I34	A26-D30 VanDerWaalsContact O-CB 3.26Å; A26-D30 WeakPolarHBondContact O-CB 3.06Å; A26-D30 VanDerWaalsContact O-CG 3.26Å; A26-D30 PolarHBondContact O-N 3.03Å; V28-D30 VanDerWaalsContact C-N 3.32Å; V28-D30 PolarHBondContact O-N 3.29Å; D30-I34 WeakPolarHBondContact O-CD1 3.47Å; D30-I34 WeakPolarHBondContact O-CG1 3.33Å; D30-I34 PolarHBondContact O-N 3.42Å
31	L	50.2	Low	57.5	Low	38 Å²	38	81.9 Å²	81.9	20%	0.199	42%	0.419	C	S	.	.	H	α-helix	trans	-68.9	-41.4	175.5	-72.2	169.8	0	0	0	112.5	I27 V28 D29 R33 I34 S35 L621 L625	I27-L31 HydrophobicContact CG2-CD1 3.94Å; I27-L31 WeakPolarHBondContact O-CB 3.45Å; I27-L31 WeakPolarHBondContact O-CG 3.29Å; I27-L31 PolarHBondContact O-N 2.9Å; V28-L31 WeakPolarHBondContact O-CB 3.32Å; V28-L31 PolarHBondContact O-N 3.16Å; V28-L31 VanDerWaalsContact O-N 3.14Å; D29-L31 VanDerWaalsContact C-N 3.34Å; L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 3.26Å; L31-I34 PolarHBondContact O-N 3.16Å; L31-S35 PolarHBondContact O-N 3.29Å; L31-L621 HydrophobicContact CD2-CD2 4.1Å; L31-L625 HydrophobicContact CD1-CB 4.3Å; L31-L625 HydrophobicContact CD1-CD1 3.62Å; L31-L625 HydrophobicContact CD1-CD2 3.95Å; L31-L625 HydrophobicContact CD1-CG 4.15Å
32	E	66.2	Low	56.2	Low	113 Å²	113	81.2 Å²	81.2	53%	0.528	43%	0.426	S	S	.	.	H	α-helix	trans	-61.9	-42.5	175	-169.5	170.8	-168	0	0	110.5	V28 D29 I34 S35 D36	V28-E32 WeakPolarHBondContact O-CB 3.5Å; V28-E32 PolarHBondContact O-N 3.48Å; D29-E32 PolarHBondContact O-N 3.44Å; E32-I34 VanDerWaalsContact C-N 3.33Å; E32-I34 PolarHBondContact O-N 2.79Å; E32-S35 VanDerWaalsContact O-CB 3.31Å; E32-S35 WeakPolarHBondContact O-CB 3.41Å; E32-S35 PolarHBondContact O-N 2.92Å; E32-D36 PolarHBondContact O-N 3.22Å
33	R	63.6	Low	54.4	Low	163 Å²	163	81.9 Å²	81.9	62%	0.615	43%	0.432	S	S	*	.	H	α-helix	trans	-65	-34.2	174.9	-167.1	-178.3	-129	150.5	3.8	113.4	D29 L31 K37	D29-R33 WeakPolarHBondContact O-CB 3.3Å; D29-R33 PolarHBondContact O-N 2.96Å; L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 3.26Å; R33-K37 WeakPolarHBondContact O-CG 3.14Å; R33-K37 PolarHBondContact O-N 3.06Å; R33-K37 VanDerWaalsContact O-N 3.15Å
34	I	57.6	Low	53	Low	91 Å²	91	80.5 Å²	80.5	47%	0.467	44%	0.441	S	S	.	.	H	α-helix	trans	-68.5	-42.5	173.8	-70.6	163.4	0	0	0	109.9	D30 L31 E32 K37 G38 L621	D30-I34 WeakPolarHBondContact O-CD1 3.47Å; D30-I34 WeakPolarHBondContact O-CG1 3.33Å; D30-I34 PolarHBondContact O-N 3.42Å; L31-I34 PolarHBondContact O-N 3.16Å; E32-I34 VanDerWaalsContact C-N 3.33Å; E32-I34 PolarHBondContact O-N 2.79Å; I34-K37 PolarHBondContact O-N 3.01Å; I34-G38 PolarHBondContact O-N 3.3Å; I34-G38 VanDerWaalsContact O-N 3.09Å; I34-L621 HydrophobicContact CG2-CD1 4Å
35	S	58	Low	52.3	Low	36 Å²	36	86.9 Å²	86.9	25%	0.252	48%	0.475	S	S	.	.	H	α-helix	trans	-57.2	-49.7	173.2	171.5	0	0	0	0	111.9	L31 E32 K37 G38 F39 L618	L31-S35 PolarHBondContact O-N 3.29Å; E32-S35 VanDerWaalsContact O-CB 3.31Å; E32-S35 WeakPolarHBondContact O-CB 3.41Å; E32-S35 PolarHBondContact O-N 2.92Å; S35-K37 VanDerWaalsContact C-N 3.34Å; S35-K37 PolarHBondContact O-N 3.02Å; S35-G38 PolarHBondContact O-N 3.26Å; S35-G38 VanDerWaalsContact O-N 3.15Å; S35-F39 PolarHBondContact O-N 3.34Å; S35-L618 WeakPolarHBondContact OG-CD2 3.29Å
36	D	58.3	Low	50.9	Low	89 Å²	89	88 Å²	88	48%	0.476	48%	0.482	S	S	.	.	H	α-helix	trans	-65.7	-33.6	-178.7	-75	-15.7	0	0	0	113.6	E32 F39 S40	E32-D36 PolarHBondContact O-N 3.22Å; D36-F39 PolarHBondContact O-N 3.1Å; D36-S40 WeakPolarHBondContact O-CB 3.38Å; D36-S40 PolarHBondContact O-N 3.38Å; D36-S40 PolarHBondContact O-OG 3.46Å
37	K	54.9	Low	49.4	Very low	135 Å²	135	89.2 Å²	89.2	59%	0.587	50%	0.498	S	S	*	.	H	α-helix	trans	-69	-37.8	173.5	-78.4	-179.9	177.7	-176	0	112	R33 I34 S35 F39 S40 N41	R33-K37 WeakPolarHBondContact O-CG 3.14Å; R33-K37 PolarHBondContact O-N 3.06Å; R33-K37 VanDerWaalsContact O-N 3.15Å; I34-K37 PolarHBondContact O-N 3.01Å; S35-K37 VanDerWaalsContact C-N 3.34Å; S35-K37 PolarHBondContact O-N 3.02Å; K37-F39 PolarHBondContact O-N 3.35Å; K37-S40 PolarHBondContact O-N 3.2Å; K37-N41 PolarHBondContact O-N 2.92Å
38	G	47.8	Very low	48.8	Very low	48 Å²	48	94.1 Å²	94.1	50%	0.495	53%	0.53	S	S	.	.	H	α-helix	trans	-58.7	-39.7	170.4	0	0	0	0	0	111.8	I34 S35	I34-G38 PolarHBondContact O-N 3.3Å; I34-G38 VanDerWaalsContact O-N 3.09Å; S35-G38 PolarHBondContact O-N 3.26Å; S35-G38 VanDerWaalsContact O-N 3.15Å
39	F	40.8	Very low	47.6	Very low	135 Å²	135	97.4 Å²	97.4	59%	0.592	55%	0.545	S	S	*	.	H	α-helix	trans	-75.2	-36.8	178.9	-144.3	-97	0	0	0	113.5	S35 D36 K37 G42 K43	S35-F39 PolarHBondContact O-N 3.34Å; D36-F39 PolarHBondContact O-N 3.1Å; K37-F39 PolarHBondContact O-N 3.35Å; F39-G42 PolarHBondContact O-N 2.8Å; F39-K43 PolarHBondContact O-N 3.05Å
40	S	41.6	Very low	45.9	Very low	72 Å²	72	101 Å²	101	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-74.8	-36.3	-179	-62.9	0	0	0	0	113	D36 K37 G42 K43 A44	D36-S40 WeakPolarHBondContact O-CB 3.38Å; D36-S40 PolarHBondContact O-N 3.38Å; D36-S40 PolarHBondContact O-OG 3.46Å; K37-S40 PolarHBondContact O-N 3.2Å; S40-G42 PolarHBondContact O-N 3.03Å; S40-K43 PolarHBondContact O-N 2.87Å; S40-K43 VanDerWaalsContact O-N 3.09Å; S40-A44 PolarHBondContact O-N 3.37Å; S40-A44 VanDerWaalsContact O-N 3.07Å
41	N	39.3	Very low	44.5	Very low	127 Å²	127	105.1 Å²	105.1	68%	0.679	57%	0.573	S	S	*	*	H	α-helix	trans	-64.7	-26.8	170.9	-83	1.9	0	0	0	112	K37	K37-N41 PolarHBondContact O-N 2.92Å
42	G	36.1	Very low	44	Very low	42 Å²	42	111 Å²	111	43%	0.433	60%	0.6	S	S	.	*	H	α-helix	trans	-72.5	-26.9	170.8	0	0	0	0	0	114.2	F39 S40	F39-G42 PolarHBondContact O-N 2.8Å; S40-G42 PolarHBondContact O-N 3.03Å
43	K	35.3	Very low	42.6	Very low	147 Å²	147	112.7 Å²	112.7	64%	0.639	61%	0.608	S	S	*	*	H	α-helix	trans	-85.4	-31.6	177.4	-82.4	-174.7	176.8	178.5	0	114	F39 S40 N45 N46	F39-K43 PolarHBondContact O-N 3.05Å; S40-K43 PolarHBondContact O-N 2.87Å; S40-K43 VanDerWaalsContact O-N 3.09Å; K43-N45 PolarHBondContact O-N 3.19Å; K43-N46 PolarHBondContact O-N 3.32Å
44	A	37.8	Very low	41.3	Very low	81 Å²	81	112.1 Å²	112.1	67%	0.669	61%	0.614	S	S	*	*	H	α-helix	trans	-65.7	-26.9	-179.2	0	0	0	0	0	113	S40	S40-A44 PolarHBondContact O-N 3.37Å; S40-A44 VanDerWaalsContact O-N 3.07Å
45	N	35	Very low	40.2	Very low	139 Å²	139	114.7 Å²	114.7	74%	0.743	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-8.4	-179.2	-74.5	2.5	0	0	0	114.6	K43	K43-N45 PolarHBondContact O-N 3.19Å
46	N	36.5	Very low	39.2	Very low	96 Å²	96	121.9 Å²	121.9	51%	0.513	66%	0.658	S	S	.	*	S	Bend	trans	-119	19.7	-172.7	-73.1	8.9	0	0	0	114.1	K43	K43-N46 PolarHBondContact O-N 3.32Å
47	G	35.4	Very low	38.2	Very low	66 Å²	66	122.1 Å²	122.1	68%	0.68	67%	0.667	S	S	*	*	S	Bend	trans	-80.4	-12.7	-174.8	0	0	0	0	0	117.1
48	T	38.6	Very low	37	Very low	133 Å²	133	123.4 Å²	123.4	82%	0.816	68%	0.679	S	S	*	*	S	Bend	trans	-140.3	2.6	-174.4	58.1	0	0	0	0	115.6
49	L	33.5	Very low	36.2	Very low	116 Å²	116	129.5 Å²	129.5	61%	0.607	70%	0.695	S	S	*	*	S	Bend	trans	-95.1	-17.9	178.2	-156.2	77.3	0	0	0	112.9
50	F	31.1	Very low	35.9	Very low	162 Å²	162	131.1 Å²	131.1	71%	0.711	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-9.1	-168.8	-110.9	-85.5	0	0	0	115.6
51	E	37.6	Very low	35.5	Very low	178 Å²	178	133 Å²	133	83%	0.832	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-17.3	178.5	-83.4	-176.6	153.7	0	0	114.2
52	E	38	Very low	35.1	Very low	162 Å²	162	131.4 Å²	131.4	76%	0.757	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-34.6	177.3	-86	-177.6	153.2	0	0	113.1	M54	E52-M54 VanDerWaalsContact C-N 3.34Å; E52-M54 PolarHBondContact O-N 3.43Å
53	E	37.6	Very low	34.9	Very low	148 Å²	148	135.5 Å²	135.5	69%	0.692	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-12.3	-175.9	-79.7	-175.8	152.4	0	0	115	N55	E53-N55 VanDerWaalsContact C-N 3.35Å
54	M	37.1	Very low	34.8	Very low	152 Å²	152	134.1 Å²	134.1	75%	0.749	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-11.7	179.9	-122	-176.6	71.1	0	0	114.1	E52	E52-M54 VanDerWaalsContact C-N 3.34Å; E52-M54 PolarHBondContact O-N 3.43Å
55	N	34.4	Very low	34.7	Very low	144 Å²	144	135.4 Å²	135.4	77%	0.77	75%	0.75	S	S	*	*	S	Bend	trans	-102	-9.9	-177.6	-73	-18.1	0	0	0	114.6	E53	E53-N55 VanDerWaalsContact C-N 3.35Å
56	E	37.1	Very low	35.1	Very low	187 Å²	187	134.3 Å²	134.3	87%	0.874	75%	0.753	S	S	*	*	S	Bend	trans	-103	-4.1	-177	-120.8	-174.2	177.7	0	0	115.7
57	S	35.8	Very low	35.2	Very low	95 Å²	95	133.8 Å²	133.8	66%	0.664	75%	0.754	S	S	*	*			trans	-105	8	-174.1	50.6	0	0	0	0	116.2	H59	S57-H59 VanDerWaalsContact C-N 3.29Å; S57-H59 PolarHBondContact O-N 3.17Å
58	L	31	Very low	35.4	Very low	161 Å²	161	135.5 Å²	135.5	84%	0.843	75%	0.754	S	S	*	*	S	Bend	trans	-86.5	25.1	179.1	-150.5	83.9	0	0	0	115.2
59	H	30.7	Very low	35.6	Very low	177 Å²	177	133.6 Å²	133.6	82%	0.819	75%	0.745	S	S	*	*			trans	-140.2	68.6	176.9	-85.8	-67	0	0	0	113.3	S57	S57-H59 VanDerWaalsContact C-N 3.29Å; S57-H59 PolarHBondContact O-N 3.17Å
60	I	33.9	Very low	36.1	Very low	168 Å²	168	133.5 Å²	133.5	86%	0.862	75%	0.745	S	S	*	*			trans	-133.6	107.7	153.4	-58.8	-177.1	0	0	0	110
61	S	34.2	Very low	36.8	Very low	113 Å²	113	132.8 Å²	132.8	79%	0.79	74%	0.744	S	S	*	*			trans	-60.7	145.5	172.8	-63.4	0	0	0	0	112.4
62	A	30.3	Very low	37.2	Very low	93 Å²	93	128.6 Å²	128.6	77%	0.769	73%	0.731	S	S	*	*			trans	-37.5	133.7	166.4	0	0	0	0	0	113.6
63	T	31.6	Very low	37.4	Very low	127 Å²	127	123.6 Å²	123.6	78%	0.779	72%	0.717	S	S	*	*				-178.3	135.7	128	-67.6	0	0	0	0	110.5
64	T	32.7	Very low	37.7	Very low	119 Å²	119	122.1 Å²	122.1	73%	0.73	71%	0.714	S	S	*	*			trans	74	107.9	162.9	43.6	0	0	0	0	121.3
65	S	36.8	Very low	38	Very low	108 Å²	108	117.1 Å²	117.1	76%	0.755	70%	0.696	S	S	*	*	S	Bend	trans	-26.8	136.6	153.8	52.8	0	0	0	0	117.7
66	S	42.4	Very low	38.6	Very low	116 Å²	116	116.8 Å²	116.8	81%	0.811	69%	0.688	S	S	*	*	S	Bend	trans	113.8	7.6	155.3	89.1	0	0	0	0	119.4
67	T	38.6	Very low	38.9	Very low	85 Å²	85	110.8 Å²	110.8	52%	0.521	67%	0.667	S	S	.	*			trans	-107.3	-1.3	176.7	-23.4	0	0	0	0	115.2	C69 N70	T67-C69 PolarHBondContact O-N 3.04Å; T67-N70 HydrophobicContact CG2-CB 4.37Å; T67-N70 PolarHBondContact O-N 3.09Å; T67-N70 VanDerWaalsContact O-N 3.17Å
68	C	40.1	Very low	39.2	Very low	101 Å²	101	110 Å²	110	68%	0.682	66%	0.658	S	S	*	*	H	α-helix	trans	-62	-29.6	-178.4	-161.5	0	0	0	0	112.8	N70 T72	C68-N70 PolarHBondContact O-N 3.36Å; C68-T72 PolarHBondContact O-N 3.2Å; C68-T72 PolarHBondContact O-OG1 3.08Å; C68-T72 VanDerWaalsContact O-OG1 3.11Å
69	C	43.2	Very low	39.9	Very low	94 Å²	94	108.1 Å²	108.1	64%	0.635	65%	0.649	S	S	*	*	H	α-helix	trans	-69.6	-29.7	179	-60.2	0	0	0	0	113.7	T67 T72 A73	T67-C69 PolarHBondContact O-N 3.04Å; C69-T72 WeakPolarHBondContact CA-OG1 3.25Å; C69-T72 PolarHBondContact O-OG1 3.23Å; C69-A73 WeakPolarHBondContact O-CB 3.17Å; C69-A73 PolarHBondContact O-N 3.03Å; C69-A73 VanDerWaalsContact O-N 3.09Å
70	N	44.5	Very low	40.6	Very low	114 Å²	114	106.5 Å²	106.5	61%	0.61	64%	0.635	S	S	*	*	H	α-helix	trans	-77.9	-35.4	-177.2	-76.4	-4.6	0	0	0	111.9	T67 C68 A73 L74	T67-N70 HydrophobicContact CG2-CB 4.37Å; T67-N70 PolarHBondContact O-N 3.09Å; T67-N70 VanDerWaalsContact O-N 3.17Å; C68-N70 PolarHBondContact O-N 3.36Å; N70-A73 PolarHBondContact O-N 3.36Å; N70-L74 WeakPolarHBondContact O-CB 3.5Å; N70-L74 PolarHBondContact O-N 2.8Å
71	E	44.8	Very low	40.9	Very low	147 Å²	147	103.2 Å²	103.2	69%	0.687	63%	0.627	S	S	*	*	H	α-helix	trans	-69.6	-38.7	175.3	-75.2	179.6	173.7	0	0	111.8	A73 L74 A75	E71-A73 VanDerWaalsContact C-N 3.35Å; E71-A73 PolarHBondContact O-N 2.71Å; E71-L74 PolarHBondContact O-N 3.32Å; E71-A75 WeakPolarHBondContact O-CB 3.45Å; E71-A75 PolarHBondContact O-N 2.03Å
72	T	46.8	Very low	41.4	Very low	90 Å²	90	105.3 Å²	105.3	55%	0.552	62%	0.624	S	S	*	*	H	α-helix	trans	-66.4	-34.7	171.7	40.4	0	0	0	0	112.9	C68 C69 F76	C68-T72 PolarHBondContact O-N 3.2Å; C68-T72 PolarHBondContact O-OG1 3.08Å; C68-T72 VanDerWaalsContact O-OG1 3.11Å; C69-T72 WeakPolarHBondContact CA-OG1 3.25Å; C69-T72 PolarHBondContact O-OG1 3.23Å; T72-F76 WeakPolarHBondContact O-CB 3.45Å; T72-F76 PolarHBondContact O-N 3.38Å
73	A	41.6	Very low	42.5	Very low	57 Å²	57	105.4 Å²	105.4	47%	0.471	62%	0.619	S	S	.	*	H	α-helix	trans	-70.1	-39	176.2	0	0	0	0	0	111.4	C69 N70 E71 S77	C69-A73 WeakPolarHBondContact O-CB 3.17Å; C69-A73 PolarHBondContact O-N 3.03Å; C69-A73 VanDerWaalsContact O-N 3.09Å; N70-A73 PolarHBondContact O-N 3.36Å; E71-A73 VanDerWaalsContact C-N 3.35Å; E71-A73 PolarHBondContact O-N 2.71Å; A73-S77 VanDerWaalsContact O-CB 3.31Å; A73-S77 WeakPolarHBondContact O-CB 3.33Å; A73-S77 PolarHBondContact O-N 3.42Å; A73-S77 PolarHBondContact O-OG 3.01Å
74	L	44.9	Very low	43.7	Very low	117 Å²	117	103.1 Å²	103.1	61%	0.613	61%	0.614	S	S	*	*	H	α-helix	trans	-66.8	-46.6	174.1	-155.3	86.6	0	0	0	110.6	N70 E71 F76 S77 T78	N70-L74 WeakPolarHBondContact O-CB 3.5Å; N70-L74 PolarHBondContact O-N 2.8Å; E71-L74 PolarHBondContact O-N 3.32Å; L74-F76 VanDerWaalsContact C-N 3.34Å; L74-F76 PolarHBondContact O-N 2.91Å; L74-S77 WeakPolarHBondContact CA-OG 2.99Å; L74-S77 CarbonylContact O-C 3.55Å; L74-S77 PolarHBondContact O-N 3.48Å; L74-S77 VanDerWaalsContact O-N 3.08Å; L74-S77 PolarHBondContact O-OG 3.48Å; L74-T78 PolarHBondContact O-N 3.43Å; L74-T78 PolarHBondContact O-OG1 3.38Å
75	A	43.5	Very low	45.6	Very low	47 Å²	47	102.1 Å²	102.1	39%	0.388	62%	0.617	S	S	.	*	H	α-helix	trans	-60.6	-40.3	175.3	0	0	0	0	0	112.2	E71 T78 L79	E71-A75 WeakPolarHBondContact O-CB 3.45Å; E71-A75 PolarHBondContact O-N 2.03Å; A75-T78 VanDerWaalsContact CA-OG1 3.3Å; A75-T78 WeakPolarHBondContact CA-OG1 3.28Å; A75-T78 PolarHBondContact O-OG1 3.39Å; A75-T78 VanDerWaalsContact O-OG1 3.06Å; A75-L79 VanDerWaalsContact O-CB 3.25Å; A75-L79 WeakPolarHBondContact O-CB 3.2Å; A75-L79 WeakPolarHBondContact O-CD1 3.34Å; A75-L79 WeakPolarHBondContact O-CG 3.04Å; A75-L79 PolarHBondContact O-N 3.48Å
76	F	45.9	Very low	47.7	Very low	136 Å²	136	101.7 Å²	101.7	60%	0.596	60%	0.6	S	S	*	*	H	α-helix	trans	-67.4	-37	173.8	-170.3	-97.4	0	0	0	111.6	T72 L74 R80	T72-F76 WeakPolarHBondContact O-CB 3.45Å; T72-F76 PolarHBondContact O-N 3.38Å; L74-F76 VanDerWaalsContact C-N 3.34Å; L74-F76 PolarHBondContact O-N 2.91Å; F76-R80 WeakPolarHBondContact O-CB 3.47Å; F76-R80 PolarHBondContact O-N 3.18Å
77	S	43.1	Very low	50	Low	61 Å²	61	100.9 Å²	100.9	43%	0.427	59%	0.586	S	S	.	*	H	α-helix	trans	-71.7	-35.7	176.4	75	0	0	0	0	113.3	A73 L74 R80 S81	A73-S77 VanDerWaalsContact O-CB 3.31Å; A73-S77 WeakPolarHBondContact O-CB 3.33Å; A73-S77 PolarHBondContact O-N 3.42Å; A73-S77 PolarHBondContact O-OG 3.01Å; L74-S77 WeakPolarHBondContact CA-OG 2.99Å; L74-S77 CarbonylContact O-C 3.55Å; L74-S77 PolarHBondContact O-N 3.48Å; L74-S77 VanDerWaalsContact O-N 3.08Å; L74-S77 PolarHBondContact O-OG 3.48Å; S77-R80 PolarHBondContact O-N 2.77Å; S77-S81 WeakPolarHBondContact O-CB 2.96Å; S77-S81 PolarHBondContact O-N 3.23Å
78	T	42.3	Very low	52.4	Low	78 Å²	78	102.4 Å²	102.4	48%	0.479	60%	0.595	S	S	.	*	H	α-helix	trans	-74	-41.4	175.9	47.8	0	0	0	0	111.4	L74 A75 R80 S81 E82	L74-T78 PolarHBondContact O-N 3.43Å; L74-T78 PolarHBondContact O-OG1 3.38Å; A75-T78 VanDerWaalsContact CA-OG1 3.3Å; A75-T78 WeakPolarHBondContact CA-OG1 3.28Å; A75-T78 PolarHBondContact O-OG1 3.39Å; A75-T78 VanDerWaalsContact O-OG1 3.06Å; T78-R80 PolarHBondContact O-N 2.91Å; T78-S81 WeakPolarHBondContact O-CB 3.25Å; T78-S81 PolarHBondContact O-N 3.05Å; T78-E82 PolarHBondContact O-N 3.47Å
79	L	45.9	Very low	54.9	Low	123 Å²	123	102.1 Å²	102.1	64%	0.644	59%	0.59	S	S	*	*	H	α-helix	trans	-60.9	-34.2	170.7	-72.7	167.4	0	0	0	112	A75 E82	A75-L79 VanDerWaalsContact O-CB 3.25Å; A75-L79 WeakPolarHBondContact O-CB 3.2Å; A75-L79 WeakPolarHBondContact O-CD1 3.34Å; A75-L79 WeakPolarHBondContact O-CG 3.04Å; A75-L79 PolarHBondContact O-N 3.48Å; L79-E82 PolarHBondContact O-N 2.87Å
80	R	45.5	Very low	57.2	Low	142 Å²	142	100.1 Å²	100.1	54%	0.536	58%	0.575	S	S	.	*	H	α-helix	trans	-79.4	-29.6	177.6	-162.3	172.8	-156.9	-170.6	0.1	113.2	F76 S77 T78 E82 S83 D241	F76-R80 WeakPolarHBondContact O-CB 3.47Å; F76-R80 PolarHBondContact O-N 3.18Å; S77-R80 PolarHBondContact O-N 2.77Å; T78-R80 PolarHBondContact O-N 2.91Å; R80-E82 PolarHBondContact O-N 3.29Å; R80-S83 PolarHBondContact O-N 3.18Å; R80-S83 PolarHBondContact O-OG 3.37Å; R80-D241 IonicContact NH2-OD2 3.77Å
81	S	41.1	Very low	59.5	Low	99 Å²	99	99.2 Å²	99.2	69%	0.692	57%	0.566	S	S	*	*	H	α-helix	trans	-63.9	-21.8	169.5	-176.3	0	0	0	0	112.1	S77 T78	S77-S81 WeakPolarHBondContact O-CB 2.96Å; S77-S81 PolarHBondContact O-N 3.23Å; T78-S81 WeakPolarHBondContact O-CB 3.25Å; T78-S81 PolarHBondContact O-N 3.05Å
82	E	44.2	Very low	61.9	Low	157 Å²	157	95.6 Å²	95.6	73%	0.734	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-2	178.5	-86.9	-171.3	151.5	0	0	115.4	T78 L79 R80 A84	T78-E82 PolarHBondContact O-N 3.47Å; L79-E82 PolarHBondContact O-N 2.87Å; R80-E82 PolarHBondContact O-N 3.29Å; E82-A84 PolarHBondContact O-N 3.03Å
83	S	52.7	Low	64.2	Low	95 Å²	95	95.9 Å²	95.9	66%	0.664	55%	0.551	S	S	*	*	S	Bend	trans	-75.6	62	159.7	70.4	0	0	0	0	109.2	R80 A85	R80-S83 PolarHBondContact O-N 3.18Å; R80-S83 PolarHBondContact O-OG 3.37Å; S83-A85 PolarHBondContact O-N 2.83Å
84	A	57.9	Low	66.7	Low	80 Å²	80	94.5 Å²	94.5	66%	0.661	54%	0.536	S	S	*	.			trans	-52	130	173.3	0	0	0	0	0	108.1	E82 Y86	E82-A84 PolarHBondContact O-N 3.03Å; A84-Y86 PolarHBondContact O-N 3.12Å
85	A	72.4	Confident	69.1	Low	97 Å²	97	91.7 Å²	91.7	80%	0.802	52%	0.523	S	S	*	.			trans	-45.6	132.7	170.4	0	0	0	0	0	109	S83 N87	S83-A85 PolarHBondContact O-N 2.83Å; A85-N87 PolarHBondContact O-N 3.26Å
86	Y	81.3	Confident	71.7	Confident	100 Å²	100	93.6 Å²	93.6	39%	0.392	53%	0.53	S	S	.	.			trans	-49.1	136.8	178.2	-73.8	-64.3	0	0	0	109.9	A84 T90 I94 T152	A84-Y86 PolarHBondContact O-N 3.12Å; Y86-T90 HydrophobicContact CD1-CG2 3.5Å; Y86-T90 HydrophobicContact CE1-CG2 4.08Å; Y86-T90 HydrophobicContact CG-CG2 4.02Å; Y86-I94 HydrophobicContact CD2-CD1 4.05Å; Y86-I94 HydrophobicContact CE2-CD1 4.06Å; Y86-I94 HydrophobicContact CG-CD1 4.35Å; Y86-T152 WeakPolarHBondContact CE2-O 3.39Å
87	N	89.2	Confident	74.1	Confident	98 Å²	98	92.2 Å²	92.2	52%	0.524	53%	0.528	S	S	.	.			trans	-58	154.9	172.5	69.5	11	0	0	0	110	A85 V89 T90 F91	A85-N87 PolarHBondContact O-N 3.26Å; N87-V89 PolarHBondContact O-N 3.29Å; N87-T90 PolarHBondContact O-N 3.49Å; N87-T90 WeakPolarHBondContact OD1-CB 2.97Å; N87-T90 PolarHBondContact OD1-N 3.47Å; N87-T90 PolarHBondContact OD1-OG1 2.86Å; N87-F91 PolarHBondContact O-N 2.9Å
88	V	90.3	Very high	76.7	Confident	117 Å²	117	89.3 Å²	89.3	71%	0.709	51%	0.508	S	S	*	.	H	α-helix	trans	-53.3	-35.1	-174	178.6	0	0	0	0	112	T92	V88-T92 VanDerWaalsContact O-CB 3.26Å; V88-T92 WeakPolarHBondContact O-CB 3.4Å; V88-T92 PolarHBondContact O-N 2.87Å; V88-T92 PolarHBondContact O-OG1 3.47Å
89	V	92.7	Very high	79.3	Confident	96 Å²	96	87.9 Å²	87.9	58%	0.582	50%	0.504	S	S	*	.	H	α-helix	trans	-64.8	-51.2	177.5	179.6	0	0	0	0	111.4	N87 T92 L93	N87-V89 PolarHBondContact O-N 3.29Å; V89-T92 PolarHBondContact O-N 3Å; V89-L93 HydrophobicContact CG1-CD1 4.04Å; V89-L93 HydrophobicContact CG1-CG 4.44Å; V89-L93 VanDerWaalsContact O-CG 3.29Å; V89-L93 WeakPolarHBondContact O-CG 3.36Å; V89-L93 PolarHBondContact O-N 2.79Å
90	T	90.9	Very high	81.8	Confident	51 Å²	51	84.8 Å²	84.8	31%	0.313	50%	0.496	S	S	.	.	H	α-helix	trans	-64.5	-44.1	-179.1	-57.1	0	0	0	0	111	Y86 N87 T92 L93 I94	Y86-T90 HydrophobicContact CD1-CG2 3.5Å; Y86-T90 HydrophobicContact CE1-CG2 4.08Å; Y86-T90 HydrophobicContact CG-CG2 4.02Å; N87-T90 PolarHBondContact O-N 3.49Å; N87-T90 WeakPolarHBondContact OD1-CB 2.97Å; N87-T90 PolarHBondContact OD1-N 3.47Å; N87-T90 PolarHBondContact OD1-OG1 2.86Å; T90-T92 VanDerWaalsContact C-N 3.34Å; T90-T92 PolarHBondContact O-N 2.91Å; T90-L93 PolarHBondContact O-N 3.43Å; T90-I94 HydrophobicContact CG2-CD1 3.92Å; T90-I94 HydrophobicContact CG2-CG1 4.48Å; T90-I94 VanDerWaalsContact O-CG1 3.3Å; T90-I94 WeakPolarHBondContact O-CG1 3.36Å; T90-I94 PolarHBondContact O-N 3.44Å
91	F	92.9	Very high	84.2	Confident	96 Å²	96	79 Å²	79	42%	0.421	48%	0.475	S	S	.	.	H	α-helix	trans	-54.5	-50.7	172.9	177	-90.2	0	0	0	111.4	N87 L93 I94 V95 A153	N87-F91 PolarHBondContact O-N 2.9Å; F91-L93 VanDerWaalsContact C-N 3.34Å; F91-L93 PolarHBondContact O-N 3.44Å; F91-I94 PolarHBondContact O-N 3.07Å; F91-V95 HydrophobicContact CD1-CG2 4.41Å; F91-V95 HydrophobicContact CE1-CG2 4.01Å; F91-V95 HydrophobicContact CZ-CG2 4.07Å; F91-V95 WeakPolarHBondContact O-CG2 3.33Å; F91-V95 PolarHBondContact O-N 3.12Å; F91-V95 VanDerWaalsContact O-N 3.08Å; F91-A153 HydrophobicContact CD2-CB 3.98Å; F91-A153 VanDerWaalsContact CD2-O 3.3Å; F91-A153 WeakPolarHBondContact CD2-O 3.47Å; F91-A153 HydrophobicContact CE2-CB 3.75Å; F91-A153 HydrophobicContact CZ-CB 4.5Å
92	T	94.5	Very high	87	Confident	70 Å²	70	75 Å²	75	43%	0.429	45%	0.448	S	S	.	.	H	α-helix	trans	-61.8	-41.5	179.7	-57.4	0	0	0	0	111.5	V88 V89 T90 V95 V96	V88-T92 VanDerWaalsContact O-CB 3.26Å; V88-T92 WeakPolarHBondContact O-CB 3.4Å; V88-T92 PolarHBondContact O-N 2.87Å; V88-T92 PolarHBondContact O-OG1 3.47Å; V89-T92 PolarHBondContact O-N 3Å; T90-T92 VanDerWaalsContact C-N 3.34Å; T90-T92 PolarHBondContact O-N 2.91Å; T92-V95 PolarHBondContact O-N 3.41Å; T92-V96 HydrophobicContact CG2-CG2 4.25Å; T92-V96 WeakPolarHBondContact O-CB 3.42Å; T92-V96 VanDerWaalsContact O-CG2 3.25Å; T92-V96 WeakPolarHBondContact O-CG2 3.49Å; T92-V96 PolarHBondContact O-N 3.04Å
93	L	95.1	Very high	89.5	Confident	96 Å²	96	73.6 Å²	73.6	50%	0.503	44%	0.444	S	S	.	.	H	α-helix	trans	-63.5	-45	177.5	-72.6	173.7	0	0	0	112.2	V89 T90 F91 V95 V96 I97	V89-L93 HydrophobicContact CG1-CD1 4.04Å; V89-L93 HydrophobicContact CG1-CG 4.44Å; V89-L93 VanDerWaalsContact O-CG 3.29Å; V89-L93 WeakPolarHBondContact O-CG 3.36Å; V89-L93 PolarHBondContact O-N 2.79Å; T90-L93 PolarHBondContact O-N 3.43Å; F91-L93 VanDerWaalsContact C-N 3.34Å; F91-L93 PolarHBondContact O-N 3.44Å; L93-V95 VanDerWaalsContact C-N 3.34Å; L93-V95 PolarHBondContact O-N 3.02Å; L93-V96 PolarHBondContact O-N 2.97Å; L93-I97 VanDerWaalsContact O-CB 3.32Å; L93-I97 WeakPolarHBondContact O-CB 3.37Å; L93-I97 WeakPolarHBondContact O-CG1 3.17Å; L93-I97 PolarHBondContact O-N 3.32Å
94	I	93.7	Very high	91.7	Very high	28 Å²	28	72.8 Å²	72.8	14%	0.144	43%	0.432	C	S	.	.	H	α-helix	trans	-57.8	-49.1	176.9	-68	160.7	0	0	0	110	Y86 T90 F91 G98 T149 T152 A153	Y86-I94 HydrophobicContact CD2-CD1 4.05Å; Y86-I94 HydrophobicContact CE2-CD1 4.06Å; Y86-I94 HydrophobicContact CG-CD1 4.35Å; T90-I94 HydrophobicContact CG2-CD1 3.92Å; T90-I94 HydrophobicContact CG2-CG1 4.48Å; T90-I94 VanDerWaalsContact O-CG1 3.3Å; T90-I94 WeakPolarHBondContact O-CG1 3.36Å; T90-I94 PolarHBondContact O-N 3.44Å; F91-I94 PolarHBondContact O-N 3.07Å; I94-G98 PolarHBondContact O-N 3.26Å; I94-T149 HydrophobicContact CG2-CG2 4.35Å; I94-T152 HydrophobicContact CD1-CG2 4.16Å; I94-T152 HydrophobicContact CG1-CG2 4.42Å; I94-T152 HydrophobicContact CG2-CG2 3.88Å; I94-A153 HydrophobicContact CG2-CB 3.94Å
95	V	96.7	Very high	93.6	Very high	58 Å²	58	69 Å²	69	35%	0.352	40%	0.401	S	S	.	.	H	α-helix	trans	-62.7	-46.3	-179.6	173.6	0	0	0	0	111.4	F91 T92 L93 A99 A153	F91-V95 HydrophobicContact CD1-CG2 4.41Å; F91-V95 HydrophobicContact CE1-CG2 4.01Å; F91-V95 HydrophobicContact CZ-CG2 4.07Å; F91-V95 WeakPolarHBondContact O-CG2 3.33Å; F91-V95 PolarHBondContact O-N 3.12Å; F91-V95 VanDerWaalsContact O-N 3.08Å; T92-V95 PolarHBondContact O-N 3.41Å; L93-V95 VanDerWaalsContact C-N 3.34Å; L93-V95 PolarHBondContact O-N 3.02Å; V95-A99 WeakPolarHBondContact O-CB 3.4Å; V95-A99 PolarHBondContact O-N 3.42Å; V95-A153 HydrophobicContact CG2-CB 3.91Å
96	V	97.5	Very high	94.8	Very high	88 Å²	88	65.8 Å²	65.8	53%	0.533	37%	0.372	S	S	.	.	H	α-helix	trans	-65.4	-45.5	-179.4	169.8	0	0	0	0	111.5	T92 L93 A100	T92-V96 HydrophobicContact CG2-CG2 4.25Å; T92-V96 WeakPolarHBondContact O-CB 3.42Å; T92-V96 VanDerWaalsContact O-CG2 3.25Å; T92-V96 WeakPolarHBondContact O-CG2 3.49Å; T92-V96 PolarHBondContact O-N 3.04Å; L93-V96 PolarHBondContact O-N 2.97Å; V96-A100 VanDerWaalsContact O-CB 3.25Å; V96-A100 WeakPolarHBondContact O-CB 3.47Å; V96-A100 PolarHBondContact O-N 3.5Å
97	I	96.1	Very high	95.5	Very high	106 Å²	106	63 Å²	63	54%	0.544	37%	0.374	S	S	.	.	H	α-helix	trans	-66.2	-47.2	179.4	-67.6	168.3	0	0	0	110.3	L93 A100 L101	L93-I97 VanDerWaalsContact O-CB 3.32Å; L93-I97 WeakPolarHBondContact O-CB 3.37Å; L93-I97 WeakPolarHBondContact O-CG1 3.17Å; L93-I97 PolarHBondContact O-N 3.32Å; I97-A100 PolarHBondContact O-N 3.13Å; I97-L101 VanDerWaalsContact O-CB 3.31Å; I97-L101 WeakPolarHBondContact O-CB 3.26Å; I97-L101 PolarHBondContact O-N 2.98Å
98	G	97.1	Very high	95.9	Very high	1 Å²	1	59 Å²	59	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-61.8	-43.8	178.2	0	0	0	0	0	112.6	I94 L101 S102 I145 T149	I94-G98 PolarHBondContact O-N 3.26Å; G98-L101 PolarHBondContact O-N 3.33Å; G98-S102 WeakPolarHBondContact O-CB 3.42Å; G98-S102 PolarHBondContact O-N 2.99Å; G98-I145 WeakPolarHBondContact O-CG2 3.46Å; G98-T149 WeakPolarHBondContact CA-OG1 3.36Å
99	A	98	Very high	96.2	Very high	47 Å²	47	53.4 Å²	53.4	39%	0.388	32%	0.321	S	S	.	.	H	α-helix	trans	-64.1	-44.9	175.2	0	0	0	0	0	112	V95 L101 S102 L103	V95-A99 WeakPolarHBondContact O-CB 3.4Å; V95-A99 PolarHBondContact O-N 3.42Å; A99-L101 VanDerWaalsContact C-N 3.32Å; A99-L101 PolarHBondContact O-N 3.48Å; A99-S102 PolarHBondContact O-N 2.84Å; A99-L103 WeakPolarHBondContact O-CB 3.4Å; A99-L103 VanDerWaalsContact O-CG 3.27Å; A99-L103 WeakPolarHBondContact O-CG 3.46Å; A99-L103 PolarHBondContact O-N 2.79Å
100	A	97.9	Very high	96.4	Very high	58 Å²	58	52.5 Å²	52.5	48%	0.479	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-42.6	176.2	0	0	0	0	0	111.6	V96 I97 L104	V96-A100 VanDerWaalsContact O-CB 3.25Å; V96-A100 WeakPolarHBondContact O-CB 3.47Å; V96-A100 PolarHBondContact O-N 3.5Å; I97-A100 PolarHBondContact O-N 3.13Å; A100-L104 VanDerWaalsContact O-CB 3.22Å; A100-L104 WeakPolarHBondContact O-CB 3.18Å; A100-L104 PolarHBondContact O-N 3.29Å
101	L	97.2	Very high	96.6	Very high	20 Å²	20	51.4 Å²	51.4	11%	0.105	30%	0.303	C	S	.	.	H	α-helix	trans	-65	-45	177.6	-174.4	64.9	0	0	0	111.9	I97 G98 A99 L104 T105 I145 Y624 L628 T631	I97-L101 VanDerWaalsContact O-CB 3.31Å; I97-L101 WeakPolarHBondContact O-CB 3.26Å; I97-L101 PolarHBondContact O-N 2.98Å; G98-L101 PolarHBondContact O-N 3.33Å; A99-L101 VanDerWaalsContact C-N 3.32Å; A99-L101 PolarHBondContact O-N 3.48Å; L101-L104 PolarHBondContact O-N 3.29Å; L101-T105 VanDerWaalsContact O-CB 3.3Å; L101-T105 WeakPolarHBondContact O-CB 3.37Å; L101-T105 PolarHBondContact O-N 3.17Å; L101-T105 PolarHBondContact O-OG1 3.18Å; L101-I145 HydrophobicContact CB-CG2 4.34Å; L101-I145 HydrophobicContact CD2-CD1 4.32Å; L101-I145 HydrophobicContact CD2-CG2 4.25Å; L101-I145 HydrophobicContact CG-CD1 4.08Å; L101-I145 HydrophobicContact CG-CG2 4.33Å; L101-Y624 HydrophobicContact CD2-CD1 3.76Å; L101-Y624 HydrophobicContact CD2-CE1 4.29Å; L101-L628 HydrophobicContact CD1-CD2 3.51Å; L101-L628 HydrophobicContact CD1-CG 4.23Å; L101-T631 HydrophobicContact CD1-CG2 3.97Å; L101-T631 VanDerWaalsContact CD1-OG1 3.25Å; L101-T631 WeakPolarHBondContact CD1-OG1 3.31Å
102	S	98.4	Very high	96.6	Very high	16 Å²	16	46.9 Å²	46.9	11%	0.112	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-49	176	170.2	0	0	0	0	111.5	G98 A99 L104 T105 T106 G141 P146	G98-S102 WeakPolarHBondContact O-CB 3.42Å; G98-S102 PolarHBondContact O-N 2.99Å; A99-S102 PolarHBondContact O-N 2.84Å; S102-L104 VanDerWaalsContact C-N 3.35Å; S102-L104 PolarHBondContact O-N 3.34Å; S102-T105 PolarHBondContact O-N 3.38Å; S102-T106 VanDerWaalsContact O-CB 3.23Å; S102-T106 WeakPolarHBondContact O-CB 3.33Å; S102-T106 PolarHBondContact O-N 3.16Å; S102-T106 PolarHBondContact O-OG1 2.99Å; S102-G141 PolarHBondContact OG-O 3.49Å; S102-P146 WeakPolarHBondContact OG-CG 3.36Å
103	L	98.1	Very high	96.6	Very high	127 Å²	127	45 Å²	45	67%	0.665	27%	0.271	S	S	*	.	H	α-helix	trans	-62.7	-41.5	178.8	-72.2	173.6	0	0	0	111.9	A99 G107	A99-L103 WeakPolarHBondContact O-CB 3.4Å; A99-L103 VanDerWaalsContact O-CG 3.27Å; A99-L103 WeakPolarHBondContact O-CG 3.46Å; A99-L103 PolarHBondContact O-N 2.79Å; L103-G107 PolarHBondContact O-N 3.35Å
104	L	97.2	Very high	96.5	Very high	78 Å²	78	43.8 Å²	43.8	41%	0.408	26%	0.264	S	S	.	.	H	α-helix	trans	-67.6	-43.3	179.6	-177.8	58.6	0	0	0	112	A100 L101 S102 G108 T631 F635	A100-L104 VanDerWaalsContact O-CB 3.22Å; A100-L104 WeakPolarHBondContact O-CB 3.18Å; A100-L104 PolarHBondContact O-N 3.29Å; L101-L104 PolarHBondContact O-N 3.29Å; S102-L104 VanDerWaalsContact C-N 3.35Å; S102-L104 PolarHBondContact O-N 3.34Å; L104-G108 PolarHBondContact O-N 3.34Å; L104-T631 HydrophobicContact CB-CG2 4.2Å; L104-T631 HydrophobicContact CD2-CG2 3.61Å; L104-T631 HydrophobicContact CG-CG2 3.68Å; L104-F635 HydrophobicContact CD1-CE2 3.94Å; L104-F635 HydrophobicContact CD1-CZ 3.66Å; L104-F635 HydrophobicContact CD2-CE2 3.87Å; L104-F635 HydrophobicContact CD2-CZ 3.95Å; L104-F635 HydrophobicContact CG-CE2 4Å; L104-F635 HydrophobicContact CG-CZ 4.15Å
105	T	97.8	Very high	96.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.1	-48.2	178	-55.9	0	0	0	0	110.9	L101 S102 N109 D137 I145 T631	L101-T105 VanDerWaalsContact O-CB 3.3Å; L101-T105 WeakPolarHBondContact O-CB 3.37Å; L101-T105 PolarHBondContact O-N 3.17Å; L101-T105 PolarHBondContact O-OG1 3.18Å; S102-T105 PolarHBondContact O-N 3.38Å; T105-N109 WeakPolarHBondContact O-CB 3.5Å; T105-N109 PolarHBondContact O-N 3.48Å; T105-N109 VanDerWaalsContact O-N 3.09Å; T105-N109 PolarHBondContact O-ND2 2.94Å; T105-D137 WeakPolarHBondContact CG2-O 3.26Å; T105-I145 HydrophobicContact CG2-CD1 4.17Å; T105-T631 WeakPolarHBondContact OG1-CB 3.36Å; T105-T631 PolarHBondContact OG1-OG1 3.34Å
106	T	98.4	Very high	96	Very high	31 Å²	31	40.7 Å²	40.7	19%	0.19	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-54.6	178.4	-59.9	0	0	0	0	110.8	S102 G108 N109 M110 L138 G141	S102-T106 VanDerWaalsContact O-CB 3.23Å; S102-T106 WeakPolarHBondContact O-CB 3.33Å; S102-T106 PolarHBondContact O-N 3.16Å; S102-T106 PolarHBondContact O-OG1 2.99Å; T106-G108 PolarHBondContact O-N 3.42Å; T106-N109 PolarHBondContact O-N 3.45Å; T106-M110 HydrophobicContact CG2-CG 4.44Å; T106-M110 WeakPolarHBondContact O-CB 3.21Å; T106-M110 WeakPolarHBondContact O-CG 3.33Å; T106-M110 PolarHBondContact O-N 3.37Å; T106-L138 HydrophobicContact CG2-CD1 3.79Å; T106-G141 PolarHBondContact OG1-O 3.15Å
107	G	96.6	Very high	95.5	Very high	42 Å²	42	44.5 Å²	44.5	43%	0.433	25%	0.254	S	S	.	.	H	α-helix	trans	-62.8	-40.8	-178.5	0	0	0	0	0	113.2	L103 L111	L103-G107 PolarHBondContact O-N 3.35Å; G107-L111 WeakPolarHBondContact O-CB 3.24Å; G107-L111 PolarHBondContact O-N 2.88Å
108	G	96.3	Very high	95	Very high	13 Å²	13	42.6 Å²	42.6	13%	0.134	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-47.7	177.7	0	0	0	0	0	112.6	L104 T106 L111 V112	L104-G108 PolarHBondContact O-N 3.34Å; T106-G108 PolarHBondContact O-N 3.42Å; G108-L111 WeakPolarHBondContact O-CB 3.43Å; G108-L111 PolarHBondContact O-N 2.98Å; G108-V112 WeakPolarHBondContact O-CG2 3.43Å; G108-V112 PolarHBondContact O-N 3.41Å
109	N	97.2	Very high	94.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-74.7	-34.3	-179.2	-73.8	-64	0	0	0	112.6	T105 T106 L111 V112 M113 A134 D137 L138 S630 P634	T105-N109 WeakPolarHBondContact O-CB 3.5Å; T105-N109 PolarHBondContact O-N 3.48Å; T105-N109 VanDerWaalsContact O-N 3.09Å; T105-N109 PolarHBondContact O-ND2 2.94Å; T106-N109 PolarHBondContact O-N 3.45Å; N109-L111 VanDerWaalsContact C-N 3.29Å; N109-L111 PolarHBondContact O-N 2.92Å; N109-V112 WeakPolarHBondContact O-CB 3.43Å; N109-V112 PolarHBondContact O-N 3.02Å; N109-M113 WeakPolarHBondContact O-CG 3.19Å; N109-M113 PolarHBondContact O-N 2.9Å; N109-M113 VanDerWaalsContact O-N 3.07Å; N109-A134 HydrophobicContact CB-CB 4.25Å; N109-A134 WeakPolarHBondContact CB-O 3.46Å; N109-D137 WeakPolarHBondContact ND2-CB 3.1Å; N109-L138 HydrophobicContact CB-CB 4.23Å; N109-S630 PolarHBondContact ND2-O 2.86Å; N109-P634 HydrophobicContact CB-CG 4.48Å; N109-P634 WeakPolarHBondContact OD1-CG 3.09Å
110	M	96.4	Very high	93.9	Very high	76 Å²	76	50.8 Å²	50.8	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-57.2	-42.9	167.4	-75.6	-58.3	-72.4	0	0	111.7	T106 V112 M113 I114 L138	T106-M110 HydrophobicContact CG2-CG 4.44Å; T106-M110 WeakPolarHBondContact O-CB 3.21Å; T106-M110 WeakPolarHBondContact O-CG 3.33Å; T106-M110 PolarHBondContact O-N 3.37Å; M110-V112 VanDerWaalsContact C-N 3.33Å; M110-V112 PolarHBondContact O-N 2.99Å; M110-M113 PolarHBondContact O-N 3.38Å; M110-I114 WeakPolarHBondContact O-CB 3.37Å; M110-I114 VanDerWaalsContact O-CG1 3.24Å; M110-I114 WeakPolarHBondContact O-CG1 3.3Å; M110-I114 PolarHBondContact O-N 3.47Å; M110-L138 HydrophobicContact CG-CD1 3.59Å; M110-L138 HydrophobicContact CG-CD2 4.48Å; M110-L138 HydrophobicContact SD-CD1 3.69Å; M110-L138 HydrophobicContact SD-CD2 3.48Å; M110-L138 WeakPolarHBondContact SD-CD2 3.2Å; M110-L138 HydrophobicContact SD-CG 4.23Å
111	L	95.2	Very high	93.4	Very high	28 Å²	28	54.6 Å²	54.6	15%	0.147	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-37.4	177.4	-178.7	62.6	0	0	0	112.3	G107 G108 N109 S115 Y648 I651 L652	G107-L111 WeakPolarHBondContact O-CB 3.24Å; G107-L111 PolarHBondContact O-N 2.88Å; G108-L111 WeakPolarHBondContact O-CB 3.43Å; G108-L111 PolarHBondContact O-N 2.98Å; N109-L111 VanDerWaalsContact C-N 3.29Å; N109-L111 PolarHBondContact O-N 2.92Å; L111-S115 WeakPolarHBondContact O-CB 3.48Å; L111-S115 PolarHBondContact O-N 2.9Å; L111-S115 PolarHBondContact O-OG 3.2Å; L111-Y648 HydrophobicContact CD1-CD1 4.32Å; L111-Y648 HydrophobicContact CD2-CD1 4.03Å; L111-Y648 HydrophobicContact CD2-CD2 3.65Å; L111-Y648 HydrophobicContact CD2-CE1 4.22Å; L111-Y648 HydrophobicContact CD2-CE2 3.84Å; L111-Y648 HydrophobicContact CD2-CG 3.76Å; L111-Y648 HydrophobicContact CG-CD1 3.88Å; L111-Y648 HydrophobicContact CG-CD2 4.34Å; L111-Y648 HydrophobicContact CG-CE1 3.85Å; L111-Y648 HydrophobicContact CG-CE2 4.3Å; L111-Y648 HydrophobicContact CG-CG 4.14Å; L111-I651 HydrophobicContact CD1-CB 4.28Å; L111-I651 HydrophobicContact CD1-CD1 4.1Å; L111-I651 HydrophobicContact CD1-CG2 3.89Å; L111-L652 HydrophobicContact CD2-CD1 4.36Å
112	V	94	Very high	92.9	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-59.6	-50.9	173.2	178.7	0	0	0	0	110.2	G108 N109 M110 S115 F116 A134 P634 Y637 F644 Y648	G108-V112 WeakPolarHBondContact O-CG2 3.43Å; G108-V112 PolarHBondContact O-N 3.41Å; N109-V112 WeakPolarHBondContact O-CB 3.43Å; N109-V112 PolarHBondContact O-N 3.02Å; M110-V112 VanDerWaalsContact C-N 3.33Å; M110-V112 PolarHBondContact O-N 2.99Å; V112-S115 PolarHBondContact O-N 3.26Å; V112-F116 PolarHBondContact O-N 3.35Å; V112-F116 VanDerWaalsContact O-N 3.09Å; V112-A134 HydrophobicContact CB-CB 3.87Å; V112-A134 HydrophobicContact CG1-CB 3.77Å; V112-A134 HydrophobicContact CG2-CB 4.49Å; V112-P634 HydrophobicContact CG2-CB 4.05Å; V112-P634 HydrophobicContact CG2-CG 4.06Å; V112-Y637 HydrophobicContact CG1-CD2 4.47Å; V112-Y637 HydrophobicContact CG2-CD2 3.87Å; V112-Y637 HydrophobicContact CG2-CE2 4.26Å; V112-F644 HydrophobicContact CG1-CE1 4.28Å; V112-Y648 WeakPolarHBondContact CG2-OH 3.44Å
113	M	94	Very high	92.4	Very high	31 Å²	31	55.6 Å²	55.6	15%	0.153	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-45.6	-178	-67.4	175.3	72.5	0	0	112.2	N109 M110 S115 F116 K117 F131 A134 L135 L138	N109-M113 WeakPolarHBondContact O-CG 3.19Å; N109-M113 PolarHBondContact O-N 2.9Å; N109-M113 VanDerWaalsContact O-N 3.07Å; M110-M113 PolarHBondContact O-N 3.38Å; M113-S115 PolarHBondContact O-N 3.44Å; M113-F116 PolarHBondContact O-N 3.39Å; M113-K117 PolarHBondContact O-N 3.27Å; M113-K117 VanDerWaalsContact O-N 3.09Å; M113-F131 HydrophobicContact CB-CD2 4.16Å; M113-F131 HydrophobicContact CB-CE2 3.75Å; M113-F131 HydrophobicContact CE-CE1 4.09Å; M113-F131 HydrophobicContact CE-CE2 3.87Å; M113-F131 HydrophobicContact CE-CZ 3.47Å; M113-F131 VanDerWaalsContact CE-CZ 3.47Å; M113-F131 HydrophobicContact CG-CD2 4.01Å; M113-F131 HydrophobicContact CG-CE2 3.8Å; M113-F131 HydrophobicContact CG-CZ 4.33Å; M113-A134 HydrophobicContact CG-CB 3.96Å; M113-L135 HydrophobicContact CE-CD1 4.1Å; M113-L138 HydrophobicContact SD-CD2 3.78Å
114	I	92.9	Very high	92	Very high	70 Å²	70	52.3 Å²	52.3	36%	0.359	26%	0.261	S	S	.	.	H	α-helix	trans	-61.6	-44.4	176.4	-69.4	167.9	0	0	0	110.3	M110 F116 K117 M118 I651	M110-I114 WeakPolarHBondContact O-CB 3.37Å; M110-I114 VanDerWaalsContact O-CG1 3.24Å; M110-I114 WeakPolarHBondContact O-CG1 3.3Å; M110-I114 PolarHBondContact O-N 3.47Å; I114-F116 VanDerWaalsContact C-N 3.3Å; I114-F116 PolarHBondContact O-N 3.48Å; I114-K117 PolarHBondContact O-N 2.9Å; I114-K117 VanDerWaalsContact O-N 3.1Å; I114-M118 HydrophobicContact CG2-CG 3.98Å; I114-M118 HydrophobicContact CG2-SD 3.39Å; I114-M118 WeakPolarHBondContact CG2-SD 3.49Å; I114-M118 WeakPolarHBondContact O-CB 3.33Å; I114-M118 WeakPolarHBondContact O-CG 3.35Å; I114-M118 PolarHBondContact O-N 2.95Å; I114-I651 HydrophobicContact CG2-CD1 4.19Å
115	S	92.2	Very high	91.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-42.2	179	-65.7	0	0	0	0	112.3	L111 V112 M113 D119 Y648 I651	L111-S115 WeakPolarHBondContact O-CB 3.48Å; L111-S115 PolarHBondContact O-N 2.9Å; L111-S115 PolarHBondContact O-OG 3.2Å; V112-S115 PolarHBondContact O-N 3.26Å; M113-S115 PolarHBondContact O-N 3.44Å; S115-D119 WeakPolarHBondContact O-CB 3.44Å; S115-D119 PolarHBondContact O-N 3.08Å; S115-Y648 WeakPolarHBondContact OG-CD1 3.35Å; S115-Y648 WeakPolarHBondContact OG-CE1 3.24Å; S115-I651 WeakPolarHBondContact OG-CD1 3.49Å
116	F	88.2	Confident	91.1	Very high	20 Å²	20	52.3 Å²	52.3	9%	0.088	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-42.5	174.7	177.1	-90.2	0	0	0	112.2	V112 M113 I114 L122 Q123 N127 Y128 F131	V112-F116 PolarHBondContact O-N 3.35Å; V112-F116 VanDerWaalsContact O-N 3.09Å; M113-F116 PolarHBondContact O-N 3.39Å; I114-F116 VanDerWaalsContact C-N 3.3Å; I114-F116 PolarHBondContact O-N 3.48Å; F116-L122 WeakPolarHBondContact CD2-O 3.18Å; F116-Q123 HydrophobicContact CD1-CG 4.49Å; F116-Q123 HydrophobicContact CE1-CG 4.25Å; F116-Q123 HydrophobicContact CE2-CB 4.4Å; F116-Q123 HydrophobicContact CE2-CG 4.35Å; F116-Q123 HydrophobicContact CZ-CB 4.32Å; F116-Q123 HydrophobicContact CZ-CG 4.17Å; F116-Q123 WeakPolarHBondContact O-CG 3.2Å; F116-Q123 PolarHBondContact O-NE2 3.21Å; F116-Q123 VanDerWaalsContact O-NE2 3.12Å; F116-N127 HydrophobicContact CD2-CB 3.89Å; F116-N127 HydrophobicContact CE2-CB 3.91Å; F116-Y128 HydrophobicContact CE2-CD2 4.1Å; F116-Y128 HydrophobicContact CE2-CE2 4.16Å; F116-Y128 HydrophobicContact CZ-CD1 4.38Å; F116-Y128 AromaticContact CZ-CD2 3.84Å; F116-Y128 HydrophobicContact CZ-CD2 3.84Å; F116-Y128 HydrophobicContact CZ-CE1 4.19Å; F116-Y128 AromaticContact CZ-CE2 3.6Å; F116-Y128 HydrophobicContact CZ-CE2 3.6Å; F116-Y128 HydrophobicContact CZ-CG 4.21Å; F116-Y128 AromaticContact CZ-CZ 3.79Å; F116-F131 HydrophobicContact CB-CD2 4.21Å; F116-F131 AromaticContact CD1-CD2 3.8Å; F116-F131 HydrophobicContact CD1-CD2 3.8Å; F116-F131 HydrophobicContact CD1-CE2 4.3Å; F116-F131 HydrophobicContact CD1-CG 4.48Å; F116-F131 HydrophobicContact CE1-CD2 4.44Å; F116-F131 HydrophobicContact CG-CD2 4.11Å
117	K	85.6	Confident	90.6	Very high	168 Å²	168	51.7 Å²	51.7	73%	0.73	26%	0.256	S	S	*	.	H	α-helix	trans	-68.9	-40.7	-179.9	-170.6	175	-179.4	178.8	0	112.4	M113 I114 Q123	M113-K117 PolarHBondContact O-N 3.27Å; M113-K117 VanDerWaalsContact O-N 3.09Å; I114-K117 PolarHBondContact O-N 2.9Å; I114-K117 VanDerWaalsContact O-N 3.1Å; K117-Q123 PolarHBondContact O-NE2 2.96Å
118	M	86.1	Confident	90.4	Very high	67 Å²	67	52 Å²	52	33%	0.33	25%	0.245	S	C	.	.	H	α-helix	trans	-75.8	-44.5	-176.6	-68.3	-178.2	74.8	0	0	112.4	I114 I651 W656	I114-M118 HydrophobicContact CG2-CG 3.98Å; I114-M118 HydrophobicContact CG2-SD 3.39Å; I114-M118 WeakPolarHBondContact CG2-SD 3.49Å; I114-M118 WeakPolarHBondContact O-CB 3.33Å; I114-M118 WeakPolarHBondContact O-CG 3.35Å; I114-M118 PolarHBondContact O-N 2.95Å; M118-I651 HydrophobicContact CE-CG1 4.4Å; M118-I651 HydrophobicContact SD-CD1 3.97Å; M118-I651 HydrophobicContact SD-CG1 3.96Å; M118-W656 VanDerWaalsContact C-CH2 3.48Å; M118-W656 HydrophobicContact CB-CH2 3.7Å; M118-W656 HydrophobicContact CB-CZ2 3.73Å; M118-W656 HydrophobicContact CB-CZ3 4.17Å; M118-W656 HydrophobicContact CE-CB 4.2Å; M118-W656 HydrophobicContact CE-CD2 3.43Å; M118-W656 VanDerWaalsContact CE-CD2 3.43Å; M118-W656 HydrophobicContact CE-CE3 3.9Å; M118-W656 HydrophobicContact CE-CG 3.51Å; M118-W656 HydrophobicContact CE-CZ2 4.36Å; M118-W656 WeakPolarHBondContact O-CH2 3.47Å; M118-W656 WeakPolarHBondContact O-CZ2 3.29Å
119	D	88	Confident	90.3	Very high	19 Å²	19	51.6 Å²	51.6	10%	0.102	24%	0.239	C	C	.	.			trans	-95.1	107	-173.7	-165.2	-22.8	0	0	0	112.4	S115 H121 L122 Q123 T647 W656	S115-D119 WeakPolarHBondContact O-CB 3.44Å; S115-D119 PolarHBondContact O-N 3.08Å; D119-H121 PolarHBondContact O-N 3.24Å; D119-H121 VanDerWaalsContact O-N 3.16Å; D119-H121 WeakPolarHBondContact OD1-CB 3.33Å; D119-H121 IonicContact OD1-CD2 3.65Å; D119-H121 IonicContact OD1-CG 3.02Å; D119-H121 PolarHBondContact OD1-N 2.82Å; D119-L122 HydrophobicContact CB-CB 4.15Å; D119-L122 HydrophobicContact CB-CD1 3.96Å; D119-L122 HydrophobicContact CB-CG 3.91Å; D119-L122 WeakPolarHBondContact O-CA 3.37Å; D119-L122 WeakPolarHBondContact O-CB 3.36Å; D119-L122 PolarHBondContact O-N 3.28Å; D119-Q123 PolarHBondContact O-N 2.83Å; D119-T647 HydrophobicContact CB-CG2 3.84Å; D119-T647 PolarHBondContact OD2-OG1 3.34Å; D119-W656 HydrophobicContact CB-CH2 3.95Å
120	R	85	Confident	90.1	Very high	201 Å²	201	52.3 Å²	52.3	76%	0.758	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-57.6	-28.6	176.6	-63.3	-69.7	-74.9	-135.7	-4.8	112.8	L122 Q123	R120-L122 VanDerWaalsContact C-N 3.27Å; R120-L122 PolarHBondContact O-N 3.39Å; R120-Q123 PolarHBondContact O-N 3.44Å
121	H	87.1	Confident	89.9	Confident	137 Å²	137	51.8 Å²	51.8	63%	0.634	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-72.7	-20.9	175.1	-66.7	-71.8	0	0	0	112.9	D119	D119-H121 PolarHBondContact O-N 3.24Å; D119-H121 VanDerWaalsContact O-N 3.16Å; D119-H121 WeakPolarHBondContact OD1-CB 3.33Å; D119-H121 IonicContact OD1-CD2 3.65Å; D119-H121 IonicContact OD1-CG 3.02Å; D119-H121 PolarHBondContact OD1-N 2.82Å
122	L	86.8	Confident	90	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.026	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-84.9	-12.1	172.6	-66.4	-178	0	0	0	112.7	F116 D119 R120 T124 N127 A643 F644 T647	F116-L122 WeakPolarHBondContact CD2-O 3.18Å; D119-L122 HydrophobicContact CB-CB 4.15Å; D119-L122 HydrophobicContact CB-CD1 3.96Å; D119-L122 HydrophobicContact CB-CG 3.91Å; D119-L122 WeakPolarHBondContact O-CA 3.37Å; D119-L122 WeakPolarHBondContact O-CB 3.36Å; D119-L122 PolarHBondContact O-N 3.28Å; R120-L122 VanDerWaalsContact C-N 3.27Å; R120-L122 PolarHBondContact O-N 3.39Å; L122-T124 PolarHBondContact O-N 2.78Å; L122-N127 VanDerWaalsContact O-CB 3.23Å; L122-N127 WeakPolarHBondContact O-CB 3.43Å; L122-N127 PolarHBondContact O-ND2 3.31Å; L122-A643 HydrophobicContact CD2-CB 3.78Å; L122-F644 HydrophobicContact CD1-CD1 4.02Å; L122-F644 HydrophobicContact CD1-CE1 4.04Å; L122-F644 HydrophobicContact CD1-CG 4.4Å; L122-F644 HydrophobicContact CD1-CZ 4.44Å; L122-F644 HydrophobicContact CD2-CD2 4.07Å; L122-F644 HydrophobicContact CD2-CE2 4.07Å; L122-F644 HydrophobicContact CD2-CG 4.41Å; L122-F644 HydrophobicContact CD2-CZ 4.39Å; L122-T647 HydrophobicContact CD1-CG2 3.9Å; L122-T647 WeakPolarHBondContact CD1-OG1 3.47Å
123	Q	88.1	Confident	90.1	Very high	52 Å²	52	50.5 Å²	50.5	24%	0.243	23%	0.233	C	C	.	.			trans	-77.8	41.5	-179.6	-64.3	180	2	0	0	114	F116 K117 D119 R120	F116-Q123 HydrophobicContact CD1-CG 4.49Å; F116-Q123 HydrophobicContact CE1-CG 4.25Å; F116-Q123 HydrophobicContact CE2-CB 4.4Å; F116-Q123 HydrophobicContact CE2-CG 4.35Å; F116-Q123 HydrophobicContact CZ-CB 4.32Å; F116-Q123 HydrophobicContact CZ-CG 4.17Å; F116-Q123 WeakPolarHBondContact O-CG 3.2Å; F116-Q123 PolarHBondContact O-NE2 3.21Å; F116-Q123 VanDerWaalsContact O-NE2 3.12Å; K117-Q123 PolarHBondContact O-NE2 2.96Å; D119-Q123 PolarHBondContact O-N 2.83Å; R120-Q123 PolarHBondContact O-N 3.44Å
124	T	88.8	Confident	90.2	Very high	59 Å²	59	49 Å²	49	36%	0.362	23%	0.225	S	C	.	.			trans	-84.8	153.4	176.3	70.4	0	0	0	0	111	L122 N126 N127 Y128	L122-T124 PolarHBondContact O-N 2.78Å; T124-N126 PolarHBondContact O-N 3.41Å; T124-N126 VanDerWaalsContact O-N 3.16Å; T124-N127 PolarHBondContact O-N 2.59Å; T124-N127 PolarHBondContact OG1-ND2 2.97Å; T124-Y128 WeakPolarHBondContact O-CD2 3.23Å
125	I	88.3	Confident	90.4	Very high	42 Å²	42	49 Å²	49	22%	0.215	23%	0.225	C	C	.	.	H	α-helix	trans	-51.1	-42.6	-179.6	-60.3	174.1	0	0	0	111.6	N127 Y128 R203 K205 A208	I125-N127 PolarHBondContact O-N 2.88Å; I125-Y128 WeakPolarHBondContact O-CB 3.39Å; I125-Y128 PolarHBondContact O-N 2.96Å; I125-R203 HydrophobicContact CD1-CB 4.27Å; I125-R203 VanDerWaalsContact CD1-O 3.28Å; I125-R203 WeakPolarHBondContact CD1-O 3.49Å; I125-K205 HydrophobicContact CG1-CG 4.22Å; I125-A208 HydrophobicContact CG2-CB 3.93Å
126	N	87.1	Confident	90.7	Very high	36 Å²	36	49 Å²	49	19%	0.193	23%	0.225	C	C	.	.	H	α-helix	trans	-57.3	-33.9	178.6	-64.2	-19.9	0	0	0	114	T124 Y128 R189 R203	T124-N126 PolarHBondContact O-N 3.41Å; T124-N126 VanDerWaalsContact O-N 3.16Å; N126-Y128 VanDerWaalsContact C-N 3.34Å; N126-R189 PolarHBondContact ND2-NH2 2.96Å; N126-R189 PolarHBondContact OD1-NH2 3.25Å; N126-R203 PolarHBondContact OD1-NH1 3.44Å; N126-R203 PolarHBondContact OD1-NH2 3.26Å
127	N	89.2	Confident	91.2	Very high	17 Å²	17	48 Å²	48	9%	0.091	22%	0.221	C	C	.	.	H	α-helix	trans	-85.5	-10.1	-173.6	-67.3	-7.8	0	0	0	111.9	F116 L122 T124 I125 F129 L130 F131	F116-N127 HydrophobicContact CD2-CB 3.89Å; F116-N127 HydrophobicContact CE2-CB 3.91Å; L122-N127 VanDerWaalsContact O-CB 3.23Å; L122-N127 WeakPolarHBondContact O-CB 3.43Å; L122-N127 PolarHBondContact O-ND2 3.31Å; T124-N127 PolarHBondContact O-N 2.59Å; T124-N127 PolarHBondContact OG1-ND2 2.97Å; I125-N127 PolarHBondContact O-N 2.88Å; N127-F129 VanDerWaalsContact C-N 3.26Å; N127-F129 PolarHBondContact O-N 2.84Å; N127-L130 PolarHBondContact O-N 3.44Å; N127-F131 PolarHBondContact O-N 2.79Å
128	Y	91.8	Very high	91.8	Very high	49 Å²	49	41 Å²	41	19%	0.192	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-35.8	169.1	-78.7	-105.7	0	0	0	111.1	F116 T124 I125 N126 F131 S132 K205	F116-Y128 HydrophobicContact CE2-CD2 4.1Å; F116-Y128 HydrophobicContact CE2-CE2 4.16Å; F116-Y128 HydrophobicContact CZ-CD1 4.38Å; F116-Y128 AromaticContact CZ-CD2 3.84Å; F116-Y128 HydrophobicContact CZ-CD2 3.84Å; F116-Y128 HydrophobicContact CZ-CE1 4.19Å; F116-Y128 AromaticContact CZ-CE2 3.6Å; F116-Y128 HydrophobicContact CZ-CE2 3.6Å; F116-Y128 HydrophobicContact CZ-CG 4.21Å; F116-Y128 AromaticContact CZ-CZ 3.79Å; T124-Y128 WeakPolarHBondContact O-CD2 3.23Å; I125-Y128 WeakPolarHBondContact O-CB 3.39Å; I125-Y128 PolarHBondContact O-N 2.96Å; N126-Y128 VanDerWaalsContact C-N 3.34Å; Y128-F131 WeakPolarHBondContact O-CB 3.36Å; Y128-F131 PolarHBondContact O-N 2.85Å; Y128-S132 PolarHBondContact O-N 3.05Å; Y128-K205 HydrophobicContact CE2-CG 4.48Å
129	F	93.9	Very high	92.3	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-66.3	-38.3	174.7	-53.5	-53.1	0	0	0	111.9	N127 F131 S132 L133 L184 I185 D188 A208 M211 I212	N127-F129 VanDerWaalsContact C-N 3.26Å; N127-F129 PolarHBondContact O-N 2.84Å; F129-F131 VanDerWaalsContact C-N 3.33Å; F129-S132 PolarHBondContact O-N 3.46Å; F129-L133 WeakPolarHBondContact O-CB 3.2Å; F129-L133 PolarHBondContact O-N 3.35Å; F129-L184 HydrophobicContact CD1-CD2 3.58Å; F129-L184 HydrophobicContact CD1-CG 3.97Å; F129-L184 HydrophobicContact CE1-CD2 3.73Å; F129-L184 HydrophobicContact CE1-CG 4.04Å; F129-I185 HydrophobicContact CB-CD1 4.34Å; F129-I185 HydrophobicContact CB-CG1 3.59Å; F129-D188 HydrophobicContact CD2-CB 4.35Å; F129-D188 HydrophobicContact CE2-CB 3.8Å; F129-D188 HydrophobicContact CZ-CB 4.45Å; F129-A208 HydrophobicContact CE1-CB 3.9Å; F129-A208 HydrophobicContact CZ-CB 3.82Å; F129-M211 HydrophobicContact CZ-CE 4.49Å; F129-I212 HydrophobicContact CD1-CD1 3.92Å; F129-I212 HydrophobicContact CD1-CG1 3.79Å; F129-I212 HydrophobicContact CE1-CD1 4.34Å; F129-I212 HydrophobicContact CE1-CG1 4.18Å
130	L	92.6	Very high	92.8	Very high	15 Å²	15	38.7 Å²	38.7	8%	0.079	18%	0.182	C	C	.	.	H	α-helix	trans	-67	-36	174.4	-58.1	-177.1	0	0	0	111.9	N127 A134 I185 Y637 F644	N127-L130 PolarHBondContact O-N 3.44Å; L130-A134 WeakPolarHBondContact O-CB 3.36Å; L130-A134 PolarHBondContact O-N 3.32Å; L130-I185 HydrophobicContact CD2-CD1 3.8Å; L130-Y637 HydrophobicContact CD1-CD1 4.4Å; L130-Y637 HydrophobicContact CD1-CE1 4.28Å; L130-Y637 HydrophobicContact CD2-CD1 4.49Å; L130-Y637 HydrophobicContact CD2-CE1 3.61Å; L130-Y637 HydrophobicContact CG-CE1 4.48Å; L130-F644 HydrophobicContact CD1-CE2 3.81Å; L130-F644 HydrophobicContact CD1-CZ 3.97Å
131	F	93.6	Very high	93.5	Very high	65 Å²	65	29.1 Å²	29.1	29%	0.285	15%	0.146	S	C	.	.	H	α-helix	trans	-65.4	-45	174.5	-177.8	-83.5	0	0	0	111.6	M113 F116 N127 Y128 F129 L133 A134 L135	M113-F131 HydrophobicContact CB-CD2 4.16Å; M113-F131 HydrophobicContact CB-CE2 3.75Å; M113-F131 HydrophobicContact CE-CE1 4.09Å; M113-F131 HydrophobicContact CE-CE2 3.87Å; M113-F131 HydrophobicContact CE-CZ 3.47Å; M113-F131 VanDerWaalsContact CE-CZ 3.47Å; M113-F131 HydrophobicContact CG-CD2 4.01Å; M113-F131 HydrophobicContact CG-CE2 3.8Å; M113-F131 HydrophobicContact CG-CZ 4.33Å; F116-F131 HydrophobicContact CB-CD2 4.21Å; F116-F131 AromaticContact CD1-CD2 3.8Å; F116-F131 HydrophobicContact CD1-CD2 3.8Å; F116-F131 HydrophobicContact CD1-CE2 4.3Å; F116-F131 HydrophobicContact CD1-CG 4.48Å; F116-F131 HydrophobicContact CE1-CD2 4.44Å; F116-F131 HydrophobicContact CG-CD2 4.11Å; N127-F131 PolarHBondContact O-N 2.79Å; Y128-F131 WeakPolarHBondContact O-CB 3.36Å; Y128-F131 PolarHBondContact O-N 2.85Å; F129-F131 VanDerWaalsContact C-N 3.33Å; F131-L133 VanDerWaalsContact C-N 3.34Å; F131-L133 PolarHBondContact O-N 3.24Å; F131-A134 PolarHBondContact O-N 3.38Å; F131-L135 PolarHBondContact O-N 2.94Å
132	S	96.1	Very high	94	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.028	14%	0.137	C	C	.	.	H	α-helix	trans	-58.5	-44.9	175.3	177.9	0	0	0	0	112	Y128 F129 L135 A136 N181 I212 F216	Y128-S132 PolarHBondContact O-N 3.05Å; F129-S132 PolarHBondContact O-N 3.46Å; S132-L135 WeakPolarHBondContact O-CB 3.44Å; S132-L135 PolarHBondContact O-N 2.96Å; S132-A136 PolarHBondContact O-N 2.87Å; S132-A136 VanDerWaalsContact O-N 3.17Å; S132-N181 WeakPolarHBondContact CB-OD1 3.38Å; S132-N181 VanDerWaalsContact OG-CG 3.27Å; S132-N181 PolarHBondContact OG-ND2 2.93Å; S132-N181 PolarHBondContact OG-OD1 3.26Å; S132-I212 WeakPolarHBondContact OG-CG2 3.45Å; S132-F216 WeakPolarHBondContact OG-CE2 3.43Å
133	L	96.6	Very high	94.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.1	-47.9	175.2	-178.9	56.2	0	0	0	111.8	F129 F131 L135 A136 D137 S178 N181 L182 I185 Y637	F129-L133 WeakPolarHBondContact O-CB 3.2Å; F129-L133 PolarHBondContact O-N 3.35Å; F131-L133 VanDerWaalsContact C-N 3.34Å; F131-L133 PolarHBondContact O-N 3.24Å; L133-L135 PolarHBondContact O-N 3.23Å; L133-A136 PolarHBondContact O-N 2.63Å; L133-D137 VanDerWaalsContact O-CG 3.27Å; L133-D137 PolarHBondContact O-N 2.94Å; L133-S178 WeakPolarHBondContact CD1-OG 3.26Å; L133-N181 HydrophobicContact CB-CB 4.17Å; L133-N181 HydrophobicContact CD1-CB 4.12Å; L133-L182 HydrophobicContact CD1-CG 4.25Å; L133-L182 HydrophobicContact CD2-CD2 3.55Å; L133-L182 HydrophobicContact CD2-CG 4.09Å; L133-I185 HydrophobicContact CD2-CD1 3.8Å; L133-Y637 WeakPolarHBondContact CD2-OH 3.26Å
134	A	96.6	Very high	95	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.9	-31.4	176.6	0	0	0	0	0	113.1	N109 V112 M113 L130 F131 L138	N109-A134 HydrophobicContact CB-CB 4.25Å; N109-A134 WeakPolarHBondContact CB-O 3.46Å; V112-A134 HydrophobicContact CB-CB 3.87Å; V112-A134 HydrophobicContact CG1-CB 3.77Å; V112-A134 HydrophobicContact CG2-CB 4.49Å; M113-A134 HydrophobicContact CG-CB 3.96Å; L130-A134 WeakPolarHBondContact O-CB 3.36Å; L130-A134 PolarHBondContact O-N 3.32Å; F131-A134 PolarHBondContact O-N 3.38Å; A134-L138 WeakPolarHBondContact O-CB 3.48Å; A134-L138 PolarHBondContact O-N 2.92Å
135	L	97	Very high	95.5	Very high	68 Å²	68	21.9 Å²	21.9	36%	0.356	12%	0.117	S	C	.	.	H	α-helix	trans	-66.1	-45.5	174.4	176.2	64.7	0	0	0	111.7	M113 F131 S132 L133 L138 V139	M113-L135 HydrophobicContact CE-CD1 4.1Å; F131-L135 PolarHBondContact O-N 2.94Å; S132-L135 WeakPolarHBondContact O-CB 3.44Å; S132-L135 PolarHBondContact O-N 2.96Å; L133-L135 PolarHBondContact O-N 3.23Å; L135-L138 WeakPolarHBondContact O-CB 3.22Å; L135-L138 PolarHBondContact O-N 2.89Å; L135-V139 WeakPolarHBondContact O-CG2 3.31Å; L135-V139 PolarHBondContact O-N 3.48Å
136	A	98.3	Very high	95.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.1	-48.1	176.6	0	0	0	0	0	111	S132 L133 L138 V139 V140	S132-A136 PolarHBondContact O-N 2.87Å; S132-A136 VanDerWaalsContact O-N 3.17Å; L133-A136 PolarHBondContact O-N 2.63Å; A136-L138 VanDerWaalsContact C-N 3.28Å; A136-L138 PolarHBondContact O-N 3.44Å; A136-V139 PolarHBondContact O-N 2.86Å; A136-V139 VanDerWaalsContact O-N 3.13Å; A136-V140 PolarHBondContact O-N 3.4Å; A136-V140 VanDerWaalsContact O-N 3.15Å
137	D	98.1	Very high	96.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.6	-30.4	-179.7	-64.7	-11.9	0	0	0	112.5	T105 N109 L133 V140 G141 S178 S630 N633	T105-D137 WeakPolarHBondContact CG2-O 3.26Å; N109-D137 WeakPolarHBondContact ND2-CB 3.1Å; L133-D137 VanDerWaalsContact O-CG 3.27Å; L133-D137 PolarHBondContact O-N 2.94Å; D137-V140 PolarHBondContact O-N 3.38Å; D137-G141 PolarHBondContact O-N 3.36Å; D137-S178 WeakPolarHBondContact OD1-CB 3.45Å; D137-S178 PolarHBondContact OD1-OG 3.17Å; D137-S630 PolarHBondContact OD1-OG 3.16Å; D137-N633 PolarHBondContact OD2-ND2 3.12Å
138	L	98	Very high	96.8	Very high	22 Å²	22	21.2 Å²	21.2	12%	0.115	12%	0.116	C	C	.	.	H	α-helix	trans	-62.4	-45.5	172.2	174.1	64.9	0	0	0	111.3	T106 N109 M110 M113 A134 L135 A136 V140 G141 C142	T106-L138 HydrophobicContact CG2-CD1 3.79Å; N109-L138 HydrophobicContact CB-CB 4.23Å; M110-L138 HydrophobicContact CG-CD1 3.59Å; M110-L138 HydrophobicContact CG-CD2 4.48Å; M110-L138 HydrophobicContact SD-CD1 3.69Å; M110-L138 HydrophobicContact SD-CD2 3.48Å; M110-L138 WeakPolarHBondContact SD-CD2 3.2Å; M110-L138 HydrophobicContact SD-CG 4.23Å; M113-L138 HydrophobicContact SD-CD2 3.78Å; A134-L138 WeakPolarHBondContact O-CB 3.48Å; A134-L138 PolarHBondContact O-N 2.92Å; L135-L138 WeakPolarHBondContact O-CB 3.22Å; L135-L138 PolarHBondContact O-N 2.89Å; A136-L138 VanDerWaalsContact C-N 3.28Å; A136-L138 PolarHBondContact O-N 3.44Å; L138-V140 VanDerWaalsContact C-N 3.32Å; L138-V140 PolarHBondContact O-N 3.01Å; L138-G141 PolarHBondContact O-N 2.76Å; L138-C142 WeakPolarHBondContact O-CB 3.03Å; L138-C142 PolarHBondContact O-N 2.98Å; L138-C142 PolarHBondContact O-SG 2.99Å; L138-C142 VanDerWaalsContact O-SG 3.33Å
139	V	98.3	Very high	97	Very high	37 Å²	37	19.4 Å²	19.4	22%	0.224	11%	0.11	C	C	.	.	H	α-helix	trans	-65	-39.4	179.1	179.9	0	0	0	0	110.5	L135 A136 G141 C142 V143 V170 M174	L135-V139 WeakPolarHBondContact O-CG2 3.31Å; L135-V139 PolarHBondContact O-N 3.48Å; A136-V139 PolarHBondContact O-N 2.86Å; A136-V139 VanDerWaalsContact O-N 3.13Å; V139-G141 VanDerWaalsContact C-N 3.31Å; V139-G141 PolarHBondContact O-N 3.46Å; V139-C142 PolarHBondContact O-N 3.25Å; V139-V143 HydrophobicContact CG1-CG2 4.21Å; V139-V143 WeakPolarHBondContact O-CB 3.4Å; V139-V143 PolarHBondContact O-N 3.25Å; V139-V170 HydrophobicContact CG1-CG1 3.65Å; V139-M174 HydrophobicContact CB-CG 3.93Å; V139-M174 HydrophobicContact CB-SD 4.21Å; V139-M174 HydrophobicContact CG1-CG 3.72Å; V139-M174 HydrophobicContact CG1-SD 4.36Å; V139-M174 HydrophobicContact CG2-SD 4.32Å
140	V	98.4	Very high	97.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	I	π-helix	trans	-59	-43.4	172.3	175.1	0	0	0	0	111.1	A136 D137 L138 S144 I145 M174 Y627	A136-V140 PolarHBondContact O-N 3.4Å; A136-V140 VanDerWaalsContact O-N 3.15Å; D137-V140 PolarHBondContact O-N 3.38Å; L138-V140 VanDerWaalsContact C-N 3.32Å; L138-V140 PolarHBondContact O-N 3.01Å; V140-S144 WeakPolarHBondContact O-CB 3.36Å; V140-S144 PolarHBondContact O-N 3.13Å; V140-S144 VanDerWaalsContact O-N 3.16Å; V140-I145 HydrophobicContact CG1-CD1 4.36Å; V140-I145 HydrophobicContact CG1-CG1 4.36Å; V140-I145 PolarHBondContact O-N 2.85Å; V140-M174 HydrophobicContact CG2-CB 3.99Å; V140-Y627 HydrophobicContact CG1-CD1 3.63Å; V140-Y627 HydrophobicContact CG1-CE1 3.94Å; V140-Y627 HydrophobicContact CG1-CG 4.46Å
141	G	98.3	Very high	97.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.	I	π-helix	trans	-60.3	-43.1	174.6	0	0	0	0	0	114.2	S102 T106 D137 L138 V139 P146	S102-G141 PolarHBondContact OG-O 3.49Å; T106-G141 PolarHBondContact OG1-O 3.15Å; D137-G141 PolarHBondContact O-N 3.36Å; L138-G141 PolarHBondContact O-N 2.76Å; V139-G141 VanDerWaalsContact C-N 3.31Å; V139-G141 PolarHBondContact O-N 3.46Å; G141-P146 WeakPolarHBondContact O-CD 3.23Å
142	C	98.4	Very high	97.3	Very high	66 Å²	66	21 Å²	21	45%	0.446	12%	0.121	S	C	.	.	I	π-helix	trans	-82.9	-30.4	-174.8	-69.7	0	0	0	0	114.3	L138 V139	L138-C142 WeakPolarHBondContact O-CB 3.03Å; L138-C142 PolarHBondContact O-N 2.98Å; L138-C142 PolarHBondContact O-SG 2.99Å; L138-C142 VanDerWaalsContact O-SG 3.33Å; V139-C142 PolarHBondContact O-N 3.25Å
143	V	98.1	Very high	97.2	Very high	35 Å²	35	21.2 Å²	21.2	21%	0.212	12%	0.123	C	C	.	.	I	π-helix	trans	-118.7	-60	-170.1	-178.5	0	0	0	0	110.9	V139 P146 L147 F166 V170	V139-V143 HydrophobicContact CG1-CG2 4.21Å; V139-V143 WeakPolarHBondContact O-CB 3.4Å; V139-V143 PolarHBondContact O-N 3.25Å; V143-P146 WeakPolarHBondContact O-CD 3.15Å; V143-L147 HydrophobicContact CG1-CD1 3.75Å; V143-L147 WeakPolarHBondContact O-CB 3.3Å; V143-L147 WeakPolarHBondContact O-CG 3.3Å; V143-L147 PolarHBondContact O-N 3.16Å; V143-L147 VanDerWaalsContact O-N 3.13Å; V143-F166 HydrophobicContact CG1-CE1 4.09Å; V143-V170 HydrophobicContact CB-CG1 4.43Å; V143-V170 HydrophobicContact CG1-CG1 4.16Å
144	S	98.2	Very high	97	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.143	C	C	.	.	I	π-helix	trans	-64.5	-49.8	-170.8	-58.9	0	0	0	0	113.7	V140 L147 M148 D171 Y627	V140-S144 WeakPolarHBondContact O-CB 3.36Å; V140-S144 PolarHBondContact O-N 3.13Å; V140-S144 VanDerWaalsContact O-N 3.16Å; S144-L147 PolarHBondContact O-N 3.25Å; S144-M148 WeakPolarHBondContact O-CB 3.42Å; S144-M148 PolarHBondContact O-N 3.44Å; S144-D171 WeakPolarHBondContact CB-OD1 3.29Å; S144-D171 PolarHBondContact OG-OD1 2.98Å; S144-Y627 WeakPolarHBondContact CB-OH 3.33Å; S144-Y627 PolarHBondContact O-OH 3.05Å
145	I	98.1	Very high	96.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-46	-178.5	-66.5	163.3	0	0	0	111.5	G98 L101 T105 V140 M148 T149 Y627	G98-I145 WeakPolarHBondContact O-CG2 3.46Å; L101-I145 HydrophobicContact CB-CG2 4.34Å; L101-I145 HydrophobicContact CD2-CD1 4.32Å; L101-I145 HydrophobicContact CD2-CG2 4.25Å; L101-I145 HydrophobicContact CG-CD1 4.08Å; L101-I145 HydrophobicContact CG-CG2 4.33Å; T105-I145 HydrophobicContact CG2-CD1 4.17Å; V140-I145 HydrophobicContact CG1-CD1 4.36Å; V140-I145 HydrophobicContact CG1-CG1 4.36Å; V140-I145 PolarHBondContact O-N 2.85Å; I145-M148 PolarHBondContact O-N 3.25Å; I145-T149 WeakPolarHBondContact O-CB 3.42Å; I145-T149 PolarHBondContact O-N 2.86Å; I145-T149 PolarHBondContact O-OG1 3.19Å; I145-Y627 HydrophobicContact CD1-CG 4.43Å; I145-Y627 HydrophobicContact CG1-CD1 4.3Å; I145-Y627 HydrophobicContact CG1-CD2 3.65Å; I145-Y627 HydrophobicContact CG1-CE2 4.13Å; I145-Y627 HydrophobicContact CG1-CG 3.74Å
146	P	98	Very high	96.3	Very high	44 Å²	44	25.2 Å²	25.2	29%	0.286	17%	0.168	S	C	.	.	H	α-helix	trans	-57.9	-46.5	174.4	-30	38	0	0	0	114	S102 G141 V143 T149 V150	S102-P146 WeakPolarHBondContact OG-CG 3.36Å; G141-P146 WeakPolarHBondContact O-CD 3.23Å; V143-P146 WeakPolarHBondContact O-CD 3.15Å; P146-T149 WeakPolarHBondContact O-CB 3.41Å; P146-T149 PolarHBondContact O-N 3.39Å; P146-T149 VanDerWaalsContact O-N 3.16Å; P146-V150 WeakPolarHBondContact O-CG2 3.44Å; P146-V150 PolarHBondContact O-N 3.34Å
147	L	97.9	Very high	96.2	Very high	29 Å²	29	25.4 Å²	25.4	15%	0.152	17%	0.169	C	C	.	.	H	α-helix	trans	-67.5	-39.4	-179	-68.8	172.8	0	0	0	112.1	V143 S144 T149 V150 Y151 W157 L159 V163 W167	V143-L147 HydrophobicContact CG1-CD1 3.75Å; V143-L147 WeakPolarHBondContact O-CB 3.3Å; V143-L147 WeakPolarHBondContact O-CG 3.3Å; V143-L147 PolarHBondContact O-N 3.16Å; V143-L147 VanDerWaalsContact O-N 3.13Å; S144-L147 PolarHBondContact O-N 3.25Å; L147-T149 VanDerWaalsContact C-N 3.28Å; L147-T149 PolarHBondContact O-N 3.36Å; L147-V150 PolarHBondContact O-N 3.18Å; L147-Y151 PolarHBondContact O-N 3.25Å; L147-W157 HydrophobicContact CB-CH2 4.45Å; L147-W157 HydrophobicContact CD2-CH2 4.35Å; L147-L159 HydrophobicContact CD2-CD1 3.68Å; L147-V163 HydrophobicContact CD2-CG1 4.46Å; L147-W167 HydrophobicContact CB-CD2 3.8Å; L147-W167 HydrophobicContact CB-CE3 4.4Å; L147-W167 HydrophobicContact CB-CG 3.84Å; L147-W167 HydrophobicContact CD1-CB 3.69Å; L147-W167 HydrophobicContact CD1-CD2 4.47Å; L147-W167 HydrophobicContact CD1-CG 3.66Å; L147-W167 HydrophobicContact CG-CG 4.38Å
148	M	96.5	Very high	96	Very high	7 Å²	7	29.1 Å²	29.1	3%	0.034	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-37.8	171.1	-174.6	63.2	-176.6	0	0	112.2	S144 I145 Y151 T152 W167 T620 Y623 Y624 Y627	S144-M148 WeakPolarHBondContact O-CB 3.42Å; S144-M148 PolarHBondContact O-N 3.44Å; I145-M148 PolarHBondContact O-N 3.25Å; M148-Y151 PolarHBondContact O-N 3.39Å; M148-Y151 HydrophobicContact SD-CD1 4.3Å; M148-T152 WeakPolarHBondContact O-CB 3.39Å; M148-T152 PolarHBondContact O-N 3.4Å; M148-T152 PolarHBondContact O-OG1 3.08Å; M148-W167 HydrophobicContact CB-CH2 4.22Å; M148-W167 HydrophobicContact CB-CZ2 3.74Å; M148-W167 HydrophobicContact CG-CZ2 4.42Å; M148-W167 HydrophobicContact SD-CH2 3.66Å; M148-W167 HydrophobicContact SD-CZ2 3.89Å; M148-T620 HydrophobicContact CE-CG2 4.4Å; M148-Y623 HydrophobicContact CE-CD1 4.45Å; M148-Y623 HydrophobicContact CE-CD2 4.31Å; M148-Y623 HydrophobicContact CE-CG 3.99Å; M148-Y623 HydrophobicContact SD-CD1 4.42Å; M148-Y623 HydrophobicContact SD-CG 4.44Å; M148-Y624 HydrophobicContact CE-CE2 4.46Å; M148-Y624 HydrophobicContact CG-CE2 4.14Å; M148-Y627 HydrophobicContact CB-CE2 3.62Å; M148-Y627 HydrophobicContact CG-CE2 3.81Å
149	T	96.9	Very high	96	Very high	12 Å²	12	31.6 Å²	31.6	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-67.5	-40.3	178.8	-56.9	0	0	0	0	111.4	I94 G98 I145 P146 L147 A153 Y624	I94-T149 HydrophobicContact CG2-CG2 4.35Å; G98-T149 WeakPolarHBondContact CA-OG1 3.36Å; I145-T149 WeakPolarHBondContact O-CB 3.42Å; I145-T149 PolarHBondContact O-N 2.86Å; I145-T149 PolarHBondContact O-OG1 3.19Å; P146-T149 WeakPolarHBondContact O-CB 3.41Å; P146-T149 PolarHBondContact O-N 3.39Å; P146-T149 VanDerWaalsContact O-N 3.16Å; L147-T149 VanDerWaalsContact C-N 3.28Å; L147-T149 PolarHBondContact O-N 3.36Å; T149-A153 WeakPolarHBondContact O-CB 3.47Å; T149-A153 PolarHBondContact O-N 3.28Å; T149-Y624 VanDerWaalsContact CA-OH 3.23Å; T149-Y624 WeakPolarHBondContact CA-OH 3.39Å; T149-Y624 PolarHBondContact OG1-OH 3.4Å; T149-Y624 VanDerWaalsContact OG1-OH 3.11Å
150	V	96.4	Very high	95.8	Very high	62 Å²	62	31 Å²	31	38%	0.376	21%	0.208	S	C	.	.	H	α-helix	trans	-60.9	-48.1	172.1	171.5	0	0	0	0	110.6	P146 L147 T152 A153 A154 P158 L159	P146-V150 WeakPolarHBondContact O-CG2 3.44Å; P146-V150 PolarHBondContact O-N 3.34Å; L147-V150 PolarHBondContact O-N 3.18Å; V150-T152 PolarHBondContact O-N 2.92Å; V150-A153 PolarHBondContact O-N 2.93Å; V150-A154 VanDerWaalsContact O-CB 3.3Å; V150-A154 WeakPolarHBondContact O-CB 3.48Å; V150-A154 PolarHBondContact O-N 3.39Å; V150-P158 HydrophobicContact CG1-CG 3.81Å; V150-L159 HydrophobicContact CG1-CD1 4.29Å
151	Y	95.2	Very high	95.6	Very high	43 Å²	43	32.9 Å²	32.9	17%	0.169	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-48.3	179.7	-177.5	-150	0	0	0	112.2	L147 M148 G155 W157 W167	L147-Y151 PolarHBondContact O-N 3.25Å; M148-Y151 PolarHBondContact O-N 3.39Å; M148-Y151 HydrophobicContact SD-CD1 4.3Å; Y151-G155 PolarHBondContact O-N 3.37Å; Y151-G155 VanDerWaalsContact O-N 3.12Å; Y151-W157 HydrophobicContact CD2-CB 4.01Å; Y151-W157 HydrophobicContact CD2-CE3 4.17Å; Y151-W157 HydrophobicContact CE2-CB 4.02Å; Y151-W157 HydrophobicContact CG-CE3 4Å; Y151-W167 HydrophobicContact CD1-CH2 4.01Å; Y151-W167 HydrophobicContact CD1-CZ3 4.06Å; Y151-W167 HydrophobicContact CG-CZ3 4.47Å
152	T	93.3	Very high	95.4	Very high	12 Å²	12	39.7 Å²	39.7	7%	0.074	25%	0.247	C	C	.	.	H	α-helix	trans	-66.1	-42.4	-179.6	-52.7	0	0	0	0	111.4	Y86 I94 M148 V150 G155 T620 Y624	Y86-T152 WeakPolarHBondContact CE2-O 3.39Å; I94-T152 HydrophobicContact CD1-CG2 4.16Å; I94-T152 HydrophobicContact CG1-CG2 4.42Å; I94-T152 HydrophobicContact CG2-CG2 3.88Å; M148-T152 WeakPolarHBondContact O-CB 3.39Å; M148-T152 PolarHBondContact O-N 3.4Å; M148-T152 PolarHBondContact O-OG1 3.08Å; V150-T152 PolarHBondContact O-N 2.92Å; T152-G155 PolarHBondContact O-N 3.25Å; T152-T620 HydrophobicContact CG2-CG2 3.64Å; T152-Y624 HydrophobicContact CG2-CE2 4.36Å
153	A	94	Very high	95.3	Very high	9 Å²	9	39.2 Å²	39.2	7%	0.074	24%	0.242	C	C	.	.	H	α-helix	trans	-68.7	-38.1	-178.8	0	0	0	0	0	112.3	F91 I94 V95 T149 V150 G155	F91-A153 HydrophobicContact CD2-CB 3.98Å; F91-A153 VanDerWaalsContact CD2-O 3.3Å; F91-A153 WeakPolarHBondContact CD2-O 3.47Å; F91-A153 HydrophobicContact CE2-CB 3.75Å; F91-A153 HydrophobicContact CZ-CB 4.5Å; I94-A153 HydrophobicContact CG2-CB 3.94Å; V95-A153 HydrophobicContact CG2-CB 3.91Å; T149-A153 WeakPolarHBondContact O-CB 3.47Å; T149-A153 PolarHBondContact O-N 3.28Å; V150-A153 PolarHBondContact O-N 2.93Å; A153-G155 VanDerWaalsContact C-N 3.32Å
154	A	92.2	Very high	95.3	Very high	49 Å²	49	37.7 Å²	37.7	41%	0.405	23%	0.232	S	C	.	.	H	α-helix	trans	-76.4	-18.1	178.7	0	0	0	0	0	113.4	V150 S156 P158	V150-A154 VanDerWaalsContact O-CB 3.3Å; V150-A154 WeakPolarHBondContact O-CB 3.48Å; V150-A154 PolarHBondContact O-N 3.39Å; A154-S156 WeakPolarHBondContact CB-O 3.5Å; A154-S156 PolarHBondContact O-N 3.01Å; A154-S156 VanDerWaalsContact O-N 3.07Å; A154-P158 HydrophobicContact CB-CG 4.18Å
155	G	89.4	Confident	95.2	Very high	53 Å²	53	38.7 Å²	38.7	55%	0.546	24%	0.237	S	C	.	.	S	Bend	trans	71.6	-9.4	-175	0	0	0	0	0	114.5	Y151 T152 A153	Y151-G155 PolarHBondContact O-N 3.37Å; Y151-G155 VanDerWaalsContact O-N 3.12Å; T152-G155 PolarHBondContact O-N 3.25Å; A153-G155 VanDerWaalsContact C-N 3.32Å
156	S	91.3	Very high	95.2	Very high	49 Å²	49	44.2 Å²	44.2	34%	0.343	26%	0.262	S	S	.	.	S	Bend	trans	-147.7	162.2	174.8	57.7	0	0	0	0	108.9	A154 P158	A154-S156 WeakPolarHBondContact CB-O 3.5Å; A154-S156 PolarHBondContact O-N 3.01Å; A154-S156 VanDerWaalsContact O-N 3.07Å; S156-P158 VanDerWaalsContact O-CD 3.24Å; S156-P158 WeakPolarHBondContact O-CD 3.35Å
157	W	94.6	Very high	95.2	Very high	5 Å²	5	42.3 Å²	42.3	2%	0.019	25%	0.248	C	C	.	.			trans	-80.8	113	-179.6	-179.9	-103.1	0	0	0	111.1	L147 Y151 L159 G160 V163 C164 W167 D241 C243	L147-W157 HydrophobicContact CB-CH2 4.45Å; L147-W157 HydrophobicContact CD2-CH2 4.35Å; Y151-W157 HydrophobicContact CD2-CB 4.01Å; Y151-W157 HydrophobicContact CD2-CE3 4.17Å; Y151-W157 HydrophobicContact CE2-CB 4.02Å; Y151-W157 HydrophobicContact CG-CE3 4Å; W157-L159 HydrophobicContact CH2-CB 4.41Å; W157-L159 HydrophobicContact CH2-CD1 3.89Å; W157-L159 HydrophobicContact CZ2-CB 3.7Å; W157-L159 HydrophobicContact CZ2-CD1 4.02Å; W157-L159 HydrophobicContact CZ2-CG 4.31Å; W157-L159 HydrophobicContact CZ3-CD1 4.46Å; W157-G160 PolarHBondContact NE1-O 2.84Å; W157-V163 HydrophobicContact CH2-CG1 4.36Å; W157-V163 HydrophobicContact CZ2-CB 4.04Å; W157-V163 HydrophobicContact CZ2-CG1 3.89Å; W157-C164 HydrophobicContact CD2-CB 4.48Å; W157-C164 VanDerWaalsContact CZ2-CA 3.49Å; W157-C164 HydrophobicContact CZ2-CB 3.94Å; W157-W167 HydrophobicContact CE3-CE3 4.01Å; W157-W167 AromaticContact CE3-CZ3 3.82Å; W157-W167 HydrophobicContact CE3-CZ3 3.82Å; W157-W167 HydrophobicContact CH2-CB 4.4Å; W157-W167 HydrophobicContact CH2-CD2 4.13Å; W157-W167 AromaticContact CH2-CE3 3.36Å; W157-W167 HydrophobicContact CH2-CE3 3.36Å; W157-W167 HydrophobicContact CH2-CZ3 4.02Å; W157-W167 HydrophobicContact CZ2-CE3 4.32Å; W157-W167 HydrophobicContact CZ3-CD2 4.19Å; W157-W167 AromaticContact CZ3-CE3 3.18Å; W157-W167 HydrophobicContact CZ3-CE3 3.18Å; W157-W167 HydrophobicContact CZ3-CH2 4.41Å; W157-W167 AromaticContact CZ3-CZ3 3.32Å; W157-W167 HydrophobicContact CZ3-CZ3 3.32Å; W157-D241 WeakPolarHBondContact CB-O 3.31Å; W157-D241 PolarHBondContact N-O 2.92Å; W157-C243 HydrophobicContact CB-CB 3.99Å; W157-C243 HydrophobicContact CD2-CB 3.45Å; W157-C243 VanDerWaalsContact CD2-CB 3.45Å; W157-C243 HydrophobicContact CE3-CB 3.63Å; W157-C243 HydrophobicContact CG-CB 3.61Å; W157-C243 HydrophobicContact CZ3-CB 4.32Å
158	P	95.3	Very high	95.2	Very high	77 Å²	77	41.1 Å²	41.1	50%	0.5	24%	0.242	S	C	.	.			trans	-99.9	-1.7	-171.4	37.2	-30.8	0	0	0	114.1	V150 A154 S156	V150-P158 HydrophobicContact CG1-CG 3.81Å; A154-P158 HydrophobicContact CB-CG 4.18Å; S156-P158 VanDerWaalsContact O-CD 3.24Å; S156-P158 WeakPolarHBondContact O-CD 3.35Å
159	L	96.2	Very high	95.3	Very high	74 Å²	74	41.8 Å²	41.8	39%	0.387	25%	0.246	S	C	.	.	S	Bend	trans	-101.1	5.3	-168.2	-58	174.1	0	0	0	113.9	L147 V150 W157 V163	L147-L159 HydrophobicContact CD2-CD1 3.68Å; V150-L159 HydrophobicContact CG1-CD1 4.29Å; W157-L159 HydrophobicContact CH2-CB 4.41Å; W157-L159 HydrophobicContact CH2-CD1 3.89Å; W157-L159 HydrophobicContact CZ2-CB 3.7Å; W157-L159 HydrophobicContact CZ2-CD1 4.02Å; W157-L159 HydrophobicContact CZ2-CG 4.31Å; W157-L159 HydrophobicContact CZ3-CD1 4.46Å; L159-V163 HydrophobicContact CB-CB 3.83Å; L159-V163 HydrophobicContact CB-CG1 3.89Å; L159-V163 HydrophobicContact CB-CG2 4.21Å; L159-V163 HydrophobicContact CD1-CG1 3.94Å; L159-V163 WeakPolarHBondContact O-CB 3.42Å; L159-V163 VanDerWaalsContact O-CG2 3.29Å; L159-V163 WeakPolarHBondContact O-CG2 3.38Å
160	G	94.7	Very high	95.3	Very high	26 Å²	26	42.4 Å²	42.4	27%	0.268	25%	0.25	S	C	.	.	H	α-helix	trans	74.5	170.5	179.5	0	0	0	0	0	114.7	W157 E162 C164	W157-G160 PolarHBondContact NE1-O 2.84Å; G160-E162 PolarHBondContact O-N 2.92Å; G160-C164 PolarHBondContact O-N 3.27Å
161	Y	94.8	Very high	95.4	Very high	38 Å²	38	39.6 Å²	39.6	15%	0.149	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-42	-170.4	180	-101.6	0	0	0	113.7	V163 C164 Q165 F237	Y161-V163 PolarHBondContact O-N 2.75Å; Y161-C164 VanDerWaalsContact O-CB 3.32Å; Y161-C164 WeakPolarHBondContact O-CB 3.43Å; Y161-C164 PolarHBondContact O-N 3.25Å; Y161-C164 VanDerWaalsContact O-N 3.16Å; Y161-Q165 HydrophobicContact CD1-CG 4.04Å; Y161-Q165 HydrophobicContact CD2-CG 4.41Å; Y161-Q165 HydrophobicContact CE1-CG 3.56Å; Y161-Q165 HydrophobicContact CE2-CG 3.98Å; Y161-Q165 HydrophobicContact CG-CG 4.44Å; Y161-Q165 WeakPolarHBondContact O-CG 3.33Å; Y161-Q165 PolarHBondContact O-N 3.31Å; Y161-Q165 PolarHBondContact OH-NE2 3.37Å; Y161-F237 HydrophobicContact CE1-CD1 4.37Å; Y161-F237 HydrophobicContact CE1-CE1 4.5Å; Y161-F237 HydrophobicContact CE2-CD1 4.04Å; Y161-F237 AromaticContact CZ-CD1 3.73Å
162	E	93.9	Very high	95.5	Very high	144 Å²	144	38.6 Å²	38.6	67%	0.673	23%	0.229	S	C	*	.	H	α-helix	trans	-63.6	-42.9	-176.6	-61.2	-54.3	141.6	0	0	112.8	G160 C164 Q165 F166	G160-E162 PolarHBondContact O-N 2.92Å; E162-C164 VanDerWaalsContact C-N 3.3Å; E162-C164 PolarHBondContact O-N 3.02Å; E162-Q165 PolarHBondContact O-N 3.39Å; E162-F166 PolarHBondContact O-N 3.42Å
163	V	96.8	Very high	95.7	Very high	56 Å²	56	39.1 Å²	39.1	34%	0.339	23%	0.231	S	C	.	.	H	α-helix	trans	-69.1	-33.9	177.2	-174.3	0	0	0	0	110.4	L147 W157 L159 Y161 F166 W167	L147-V163 HydrophobicContact CD2-CG1 4.46Å; W157-V163 HydrophobicContact CH2-CG1 4.36Å; W157-V163 HydrophobicContact CZ2-CB 4.04Å; W157-V163 HydrophobicContact CZ2-CG1 3.89Å; L159-V163 HydrophobicContact CB-CB 3.83Å; L159-V163 HydrophobicContact CB-CG1 3.89Å; L159-V163 HydrophobicContact CB-CG2 4.21Å; L159-V163 HydrophobicContact CD1-CG1 3.94Å; L159-V163 WeakPolarHBondContact O-CB 3.42Å; L159-V163 VanDerWaalsContact O-CG2 3.29Å; L159-V163 WeakPolarHBondContact O-CG2 3.38Å; Y161-V163 PolarHBondContact O-N 2.75Å; V163-F166 PolarHBondContact O-N 3.27Å; V163-W167 WeakPolarHBondContact O-CB 3.36Å; V163-W167 PolarHBondContact O-N 3.15Å
164	C	97.5	Very high	95.9	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-50.4	174	174.6	0	0	0	0	111	W157 G160 Y161 E162 F166 W167 L168 C243	W157-C164 HydrophobicContact CD2-CB 4.48Å; W157-C164 VanDerWaalsContact CZ2-CA 3.49Å; W157-C164 HydrophobicContact CZ2-CB 3.94Å; G160-C164 PolarHBondContact O-N 3.27Å; Y161-C164 VanDerWaalsContact O-CB 3.32Å; Y161-C164 WeakPolarHBondContact O-CB 3.43Å; Y161-C164 PolarHBondContact O-N 3.25Å; Y161-C164 VanDerWaalsContact O-N 3.16Å; E162-C164 VanDerWaalsContact C-N 3.3Å; E162-C164 PolarHBondContact O-N 3.02Å; C164-F166 VanDerWaalsContact C-N 3.34Å; C164-F166 PolarHBondContact O-N 3.48Å; C164-W167 PolarHBondContact O-N 3.49Å; C164-L168 WeakPolarHBondContact O-CG 3.28Å; C164-L168 PolarHBondContact O-N 2.89Å; C164-C243 WeakPolarHBondContact CA-SG 3.47Å; C164-C243 HydrophobicContact CB-CB 3.8Å; C164-C243 WeakPolarHBondContact CB-SG 3.48Å; C164-C243 WeakPolarHBondContact SG-CA 3.22Å; C164-C243 WeakPolarHBondContact SG-CB 3.25Å; C164-C243 CovalentContact SG-SG 2.03Å; C164-C243 PolarHBondContact SG-SG 3.43Å
165	Q	96.4	Very high	96.2	Very high	21 Å²	21	38.4 Å²	38.4	10%	0.098	22%	0.219	C	C	.	.	H	α-helix	trans	-57.7	-48.6	177.3	-71.6	-61.5	-41.7	0	0	110.8	Y161 E162 W167 L168 N169	Y161-Q165 HydrophobicContact CD1-CG 4.04Å; Y161-Q165 HydrophobicContact CD2-CG 4.41Å; Y161-Q165 HydrophobicContact CE1-CG 3.56Å; Y161-Q165 HydrophobicContact CE2-CG 3.98Å; Y161-Q165 HydrophobicContact CG-CG 4.44Å; Y161-Q165 WeakPolarHBondContact O-CG 3.33Å; Y161-Q165 PolarHBondContact O-N 3.31Å; Y161-Q165 PolarHBondContact OH-NE2 3.37Å; E162-Q165 PolarHBondContact O-N 3.39Å; Q165-W167 VanDerWaalsContact C-N 3.33Å; Q165-W167 PolarHBondContact O-N 2.95Å; Q165-L168 PolarHBondContact O-N 3Å; Q165-N169 WeakPolarHBondContact O-CB 3.25Å; Q165-N169 PolarHBondContact O-N 3.45Å; Q165-N169 PolarHBondContact O-ND2 2.66Å
166	F	97.1	Very high	96.6	Very high	117 Å²	117	36.2 Å²	36.2	51%	0.513	20%	0.195	S	C	.	.	H	α-helix	trans	-54.9	-48.4	175.7	172	-99.6	0	0	0	112.3	V143 E162 V163 C164 N169 V170	V143-F166 HydrophobicContact CG1-CE1 4.09Å; E162-F166 PolarHBondContact O-N 3.42Å; V163-F166 PolarHBondContact O-N 3.27Å; C164-F166 VanDerWaalsContact C-N 3.34Å; C164-F166 PolarHBondContact O-N 3.48Å; F166-N169 PolarHBondContact O-N 3.34Å; F166-V170 HydrophobicContact CD2-CG2 4.23Å; F166-V170 HydrophobicContact CE1-CG2 4.34Å; F166-V170 HydrophobicContact CE2-CG2 3.79Å; F166-V170 HydrophobicContact CZ-CG2 3.86Å; F166-V170 WeakPolarHBondContact O-CG2 3.33Å; F166-V170 PolarHBondContact O-N 3.16Å
167	W	98.4	Very high	96.9	Very high	3 Å²	3	33.9 Å²	33.9	1%	0.011	18%	0.178	C	C	.	.	H	α-helix	trans	-60	-54.2	179.9	177.5	25.5	0	0	0	111.9	L147 M148 Y151 W157 V163 C164 Q165 N169 V170 D171 C243	L147-W167 HydrophobicContact CB-CD2 3.8Å; L147-W167 HydrophobicContact CB-CE3 4.4Å; L147-W167 HydrophobicContact CB-CG 3.84Å; L147-W167 HydrophobicContact CD1-CB 3.69Å; L147-W167 HydrophobicContact CD1-CD2 4.47Å; L147-W167 HydrophobicContact CD1-CG 3.66Å; L147-W167 HydrophobicContact CG-CG 4.38Å; M148-W167 HydrophobicContact CB-CH2 4.22Å; M148-W167 HydrophobicContact CB-CZ2 3.74Å; M148-W167 HydrophobicContact CG-CZ2 4.42Å; M148-W167 HydrophobicContact SD-CH2 3.66Å; M148-W167 HydrophobicContact SD-CZ2 3.89Å; Y151-W167 HydrophobicContact CD1-CH2 4.01Å; Y151-W167 HydrophobicContact CD1-CZ3 4.06Å; Y151-W167 HydrophobicContact CG-CZ3 4.47Å; W157-W167 HydrophobicContact CE3-CE3 4.01Å; W157-W167 AromaticContact CE3-CZ3 3.82Å; W157-W167 HydrophobicContact CE3-CZ3 3.82Å; W157-W167 HydrophobicContact CH2-CB 4.4Å; W157-W167 HydrophobicContact CH2-CD2 4.13Å; W157-W167 AromaticContact CH2-CE3 3.36Å; W157-W167 HydrophobicContact CH2-CE3 3.36Å; W157-W167 HydrophobicContact CH2-CZ3 4.02Å; W157-W167 HydrophobicContact CZ2-CE3 4.32Å; W157-W167 HydrophobicContact CZ3-CD2 4.19Å; W157-W167 AromaticContact CZ3-CE3 3.18Å; W157-W167 HydrophobicContact CZ3-CE3 3.18Å; W157-W167 HydrophobicContact CZ3-CH2 4.41Å; W157-W167 AromaticContact CZ3-CZ3 3.32Å; W157-W167 HydrophobicContact CZ3-CZ3 3.32Å; V163-W167 WeakPolarHBondContact O-CB 3.36Å; V163-W167 PolarHBondContact O-N 3.15Å; C164-W167 PolarHBondContact O-N 3.49Å; Q165-W167 VanDerWaalsContact C-N 3.33Å; Q165-W167 PolarHBondContact O-N 2.95Å; W167-N169 VanDerWaalsContact C-N 3.29Å; W167-N169 PolarHBondContact O-N 3.13Å; W167-V170 PolarHBondContact O-N 3.22Å; W167-D171 WeakPolarHBondContact O-CB 3.35Å; W167-D171 PolarHBondContact O-N 2.99Å; W167-C243 HydrophobicContact CE3-CB 4.29Å; W167-C243 HydrophobicContact CZ3-CB 4.03Å
168	L	97.7	Very high	97	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-59.4	-40.9	-177.9	-65.4	176.6	0	0	0	111.6	C164 Q165 Y172 I227 I245	C164-L168 WeakPolarHBondContact O-CG 3.28Å; C164-L168 PolarHBondContact O-N 2.89Å; Q165-L168 PolarHBondContact O-N 3Å; L168-Y172 HydrophobicContact CD2-CE2 4.09Å; L168-Y172 WeakPolarHBondContact O-CB 3.25Å; L168-Y172 WeakPolarHBondContact O-CD2 3.23Å; L168-Y172 PolarHBondContact O-N 3.19Å; L168-Y172 VanDerWaalsContact O-N 3.16Å; L168-I227 HydrophobicContact CB-CD1 4.39Å; L168-I227 HydrophobicContact CB-CG2 4.09Å; L168-I245 HydrophobicContact CB-CG1 4.44Å; L168-I245 HydrophobicContact CD1-CG1 4.13Å; L168-I245 HydrophobicContact CD2-CG1 4.13Å; L168-I245 HydrophobicContact CG-CG1 4.47Å
169	N	98.4	Very high	97	Very high	21 Å²	21	30.1 Å²	30.1	11%	0.112	16%	0.155	C	C	.	.	H	α-helix	trans	-61.5	-47.4	176.6	-81.8	-69.9	0	0	0	112.2	Q165 F166 W167 L173 P224	Q165-N169 WeakPolarHBondContact O-CB 3.25Å; Q165-N169 PolarHBondContact O-N 3.45Å; Q165-N169 PolarHBondContact O-ND2 2.66Å; F166-N169 PolarHBondContact O-N 3.34Å; W167-N169 VanDerWaalsContact C-N 3.29Å; W167-N169 PolarHBondContact O-N 3.13Å; N169-L173 WeakPolarHBondContact O-CB 3.4Å; N169-L173 PolarHBondContact O-N 2.84Å; N169-P224 WeakPolarHBondContact OD1-CA 3.47Å; N169-P224 WeakPolarHBondContact OD1-CB 3.41Å; N169-P224 PolarHBondContact OD1-O 3.23Å
170	V	98.3	Very high	97.1	Very high	26 Å²	26	27.9 Å²	27.9	16%	0.158	14%	0.143	C	C	.	.	H	α-helix	trans	-69.9	-44.8	179.9	171.6	0	0	0	0	111.1	V139 V143 F166 W167 M174	V139-V170 HydrophobicContact CG1-CG1 3.65Å; V143-V170 HydrophobicContact CB-CG1 4.43Å; V143-V170 HydrophobicContact CG1-CG1 4.16Å; F166-V170 HydrophobicContact CD2-CG2 4.23Å; F166-V170 HydrophobicContact CE1-CG2 4.34Å; F166-V170 HydrophobicContact CE2-CG2 3.79Å; F166-V170 HydrophobicContact CZ-CG2 3.86Å; F166-V170 WeakPolarHBondContact O-CG2 3.33Å; F166-V170 PolarHBondContact O-N 3.16Å; W167-V170 PolarHBondContact O-N 3.22Å; V170-M174 HydrophobicContact CG1-CG 4.16Å; V170-M174 WeakPolarHBondContact O-CB 3.21Å; V170-M174 WeakPolarHBondContact O-CG 3.48Å; V170-M174 PolarHBondContact O-N 2.86Å
171	D	97.9	Very high	97.2	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-61.1	-58.1	-174.1	-173.3	41	0	0	0	111.4	S144 W167 L173 M174 C175 Y623 Y627	S144-D171 WeakPolarHBondContact CB-OD1 3.29Å; S144-D171 PolarHBondContact OG-OD1 2.98Å; W167-D171 WeakPolarHBondContact O-CB 3.35Å; W167-D171 PolarHBondContact O-N 2.99Å; D171-L173 VanDerWaalsContact C-N 3.34Å; D171-L173 PolarHBondContact O-N 3.42Å; D171-M174 PolarHBondContact O-N 3.03Å; D171-C175 WeakPolarHBondContact O-CB 3.29Å; D171-C175 PolarHBondContact O-N 2.91Å; D171-Y623 PolarHBondContact OD2-OH 3.45Å; D171-Y627 VanDerWaalsContact OD1-CE1 3.31Å; D171-Y627 WeakPolarHBondContact OD1-CE1 3Å; D171-Y627 PolarHBondContact OD1-OH 2.86Å; D171-Y627 PolarHBondContact OD2-OH 3.41Å
172	Y	97.6	Very high	97.2	Very high	22 Å²	22	25 Å²	25	9%	0.086	12%	0.124	C	C	.	.	H	α-helix	trans	-66.7	-35.5	-177.4	-78.6	-103.2	0	0	0	112.5	L168 N176 W223 I245 L248 Y600 Y623	L168-Y172 HydrophobicContact CD2-CE2 4.09Å; L168-Y172 WeakPolarHBondContact O-CB 3.25Å; L168-Y172 WeakPolarHBondContact O-CD2 3.23Å; L168-Y172 PolarHBondContact O-N 3.19Å; L168-Y172 VanDerWaalsContact O-N 3.16Å; Y172-N176 WeakPolarHBondContact O-CB 3.47Å; Y172-N176 PolarHBondContact O-N 3.45Å; Y172-W223 AromaticContact CD1-CD2 3.86Å; Y172-W223 HydrophobicContact CD1-CD2 3.86Å; Y172-W223 AromaticContact CD1-CE2 3.99Å; Y172-W223 AromaticContact CD1-CE3 3.52Å; Y172-W223 HydrophobicContact CD1-CE3 3.52Å; Y172-W223 AromaticContact CD1-CH2 3.52Å; Y172-W223 HydrophobicContact CD1-CH2 3.52Å; Y172-W223 AromaticContact CD1-CZ2 3.84Å; Y172-W223 HydrophobicContact CD1-CZ2 3.84Å; Y172-W223 AromaticContact CD1-CZ3 3.34Å; Y172-W223 HydrophobicContact CD1-CZ3 3.34Å; Y172-W223 HydrophobicContact CE1-CE3 4.33Å; Y172-W223 AromaticContact CE1-CH2 3.84Å; Y172-W223 HydrophobicContact CE1-CH2 3.84Å; Y172-W223 HydrophobicContact CE1-CZ2 4.49Å; Y172-W223 AromaticContact CE1-CZ3 3.74Å; Y172-W223 HydrophobicContact CE1-CZ3 3.74Å; Y172-W223 HydrophobicContact CG-CD2 4.23Å; Y172-W223 AromaticContact CG-CE3 4Å; Y172-W223 HydrophobicContact CG-CE3 4Å; Y172-W223 HydrophobicContact CG-CZ3 4.24Å; Y172-I245 HydrophobicContact CD1-CD1 3.59Å; Y172-I245 HydrophobicContact CD2-CD1 3.56Å; Y172-I245 HydrophobicContact CD2-CG1 4.35Å; Y172-I245 HydrophobicContact CE1-CD1 3.39Å; Y172-I245 HydrophobicContact CE1-CG1 4.47Å; Y172-I245 HydrophobicContact CE2-CD1 3.38Å; Y172-I245 HydrophobicContact CE2-CG1 3.87Å; Y172-I245 HydrophobicContact CG-CD1 3.65Å; Y172-L248 HydrophobicContact CE1-CD1 4.13Å; Y172-Y600 PolarHBondContact OH-OH 3.33Å; Y172-Y623 WeakPolarHBondContact CE2-OH 3.39Å
173	L	98.1	Very high	97.3	Very high	23 Å²	23	19.5 Å²	19.5	12%	0.12	10%	0.099	C	C	.	.	H	α-helix	trans	-61	-51.8	173.5	-178.4	171.2	0	0	0	110.8	N169 D171 N176 A177 F216 S220 P224	N169-L173 WeakPolarHBondContact O-CB 3.4Å; N169-L173 PolarHBondContact O-N 2.84Å; D171-L173 VanDerWaalsContact C-N 3.34Å; D171-L173 PolarHBondContact O-N 3.42Å; L173-N176 PolarHBondContact O-N 3.45Å; L173-A177 VanDerWaalsContact O-CB 3.26Å; L173-A177 WeakPolarHBondContact O-CB 3.33Å; L173-A177 PolarHBondContact O-N 2.96Å; L173-F216 HydrophobicContact CD2-CD1 4.32Å; L173-S220 WeakPolarHBondContact CD1-OG 3.06Å; L173-P224 HydrophobicContact CB-CG 4.46Å; L173-P224 HydrophobicContact CD1-CG 3.97Å
174	M	98.1	Very high	97.2	Very high	35 Å²	35	17.7 Å²	17.7	17%	0.172	9%	0.087	C	C	.	.	H	α-helix	trans	-71.6	-41.2	-173.5	-67.1	-61.7	161	0	0	111.7	V139 V140 V170 D171 A177 S178 F216	V139-M174 HydrophobicContact CB-CG 3.93Å; V139-M174 HydrophobicContact CB-SD 4.21Å; V139-M174 HydrophobicContact CG1-CG 3.72Å; V139-M174 HydrophobicContact CG1-SD 4.36Å; V139-M174 HydrophobicContact CG2-SD 4.32Å; V140-M174 HydrophobicContact CG2-CB 3.99Å; V170-M174 HydrophobicContact CG1-CG 4.16Å; V170-M174 WeakPolarHBondContact O-CB 3.21Å; V170-M174 WeakPolarHBondContact O-CG 3.48Å; V170-M174 PolarHBondContact O-N 2.86Å; D171-M174 PolarHBondContact O-N 3.03Å; M174-A177 PolarHBondContact O-N 3.13Å; M174-S178 WeakPolarHBondContact O-CB 3.38Å; M174-S178 PolarHBondContact O-N 3.02Å; M174-F216 HydrophobicContact SD-CE1 4.09Å
175	C	97.1	Very high	97	Very high	7 Å²	7	18.2 Å²	18.2	5%	0.047	9%	0.09	C	C	.	.	H	α-helix	trans	-58.4	-48.9	171.5	-83.9	0	0	0	0	112.1	D171 A177 S178 V179 W597	D171-C175 WeakPolarHBondContact O-CB 3.29Å; D171-C175 PolarHBondContact O-N 2.91Å; C175-A177 VanDerWaalsContact C-N 3.35Å; C175-A177 PolarHBondContact O-N 3.26Å; C175-S178 VanDerWaalsContact O-CB 3.31Å; C175-S178 WeakPolarHBondContact O-CB 3.3Å; C175-S178 PolarHBondContact O-N 2.98Å; C175-V179 WeakPolarHBondContact O-CG2 3.47Å; C175-V179 PolarHBondContact O-N 2.68Å; C175-W597 HydrophobicContact CB-CH2 3.7Å; C175-W597 HydrophobicContact CB-CZ2 4.08Å
176	N	97.8	Very high	96.9	Very high	7 Å²	7	17.3 Å²	17.3	4%	0.037	9%	0.086	C	C	.	.	H	α-helix	trans	-66.3	-37.8	178.4	-167.2	78.3	0	0	0	112	Y172 L173 S178 V179 L180 S219 W223 A262	Y172-N176 WeakPolarHBondContact O-CB 3.47Å; Y172-N176 PolarHBondContact O-N 3.45Å; L173-N176 PolarHBondContact O-N 3.45Å; N176-S178 VanDerWaalsContact C-N 3.3Å; N176-S178 PolarHBondContact O-N 3.45Å; N176-V179 PolarHBondContact O-N 3.11Å; N176-L180 WeakPolarHBondContact O-CG 3.31Å; N176-L180 PolarHBondContact O-N 3.46Å; N176-S219 VanDerWaalsContact C-OG 3.26Å; N176-S219 WeakPolarHBondContact ND2-CA 3.46Å; N176-S219 PolarHBondContact ND2-OG 2.85Å; N176-W223 PolarHBondContact OD1-NE1 3.49Å; N176-A262 WeakPolarHBondContact OD1-CB 3.45Å
177	A	98.2	Very high	96.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.8	-38	173.8	0	0	0	0	0	111.3	L173 M174 C175 L180 N181 F216 S219	L173-A177 VanDerWaalsContact O-CB 3.26Å; L173-A177 WeakPolarHBondContact O-CB 3.33Å; L173-A177 PolarHBondContact O-N 2.96Å; M174-A177 PolarHBondContact O-N 3.13Å; C175-A177 VanDerWaalsContact C-N 3.35Å; C175-A177 PolarHBondContact O-N 3.26Å; A177-L180 PolarHBondContact O-N 3.43Å; A177-N181 WeakPolarHBondContact O-CB 3.43Å; A177-N181 PolarHBondContact O-N 3.41Å; A177-N181 PolarHBondContact O-ND2 3.43Å; A177-F216 HydrophobicContact CB-CD1 3.87Å; A177-F216 HydrophobicContact CB-CE1 3.86Å; A177-F216 HydrophobicContact CB-CG 4.4Å; A177-F216 HydrophobicContact CB-CZ 4.37Å; A177-S219 VanDerWaalsContact CA-OG 3.22Å; A177-S219 WeakPolarHBondContact CA-OG 3.42Å; A177-S219 PolarHBondContact N-OG 2.84Å
178	S	96.3	Very high	96.6	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.007	7%	0.073	C	C	.	.	H	α-helix	trans	-60	-48.2	172.8	-175.4	0	0	0	0	111.3	L133 D137 M174 C175 N176 L180 N181 L182	L133-S178 WeakPolarHBondContact CD1-OG 3.26Å; D137-S178 WeakPolarHBondContact OD1-CB 3.45Å; D137-S178 PolarHBondContact OD1-OG 3.17Å; M174-S178 WeakPolarHBondContact O-CB 3.38Å; M174-S178 PolarHBondContact O-N 3.02Å; C175-S178 VanDerWaalsContact O-CB 3.31Å; C175-S178 WeakPolarHBondContact O-CB 3.3Å; C175-S178 PolarHBondContact O-N 2.98Å; N176-S178 VanDerWaalsContact C-N 3.3Å; N176-S178 PolarHBondContact O-N 3.45Å; S178-L180 PolarHBondContact O-N 3.08Å; S178-N181 WeakPolarHBondContact O-CB 3.17Å; S178-N181 PolarHBondContact O-N 3.24Å; S178-L182 PolarHBondContact O-N 2.86Å
179	V	96.3	Very high	96.3	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.018	8%	0.083	C	C	.	.	H	α-helix	trans	-58.3	-48.5	175.1	179.8	0	0	0	0	112.1	C175 N176 N181 L182 L183 P266 F593 W597	C175-V179 WeakPolarHBondContact O-CG2 3.47Å; C175-V179 PolarHBondContact O-N 2.68Å; N176-V179 PolarHBondContact O-N 3.11Å; V179-N181 VanDerWaalsContact C-N 3.31Å; V179-N181 PolarHBondContact O-N 2.88Å; V179-L182 WeakPolarHBondContact O-CB 3.42Å; V179-L182 PolarHBondContact O-N 2.7Å; V179-L182 VanDerWaalsContact O-N 3.13Å; V179-L183 PolarHBondContact O-N 2.86Å; V179-P266 HydrophobicContact CG1-CB 3.92Å; V179-P266 HydrophobicContact CG1-CG 4.31Å; V179-F593 HydrophobicContact CB-CE2 4.17Å; V179-F593 HydrophobicContact CB-CZ 4.37Å; V179-F593 HydrophobicContact CG1-CE2 3.88Å; V179-F593 HydrophobicContact CG1-CZ 3.6Å; V179-F593 HydrophobicContact CG2-CE2 3.64Å; V179-F593 HydrophobicContact CG2-CZ 4.08Å; V179-W597 HydrophobicContact CG2-CH2 4.48Å; V179-W597 HydrophobicContact CG2-CZ2 4Å
180	L	97.4	Very high	96.1	Very high	26 Å²	26	17.4 Å²	17.4	14%	0.136	9%	0.087	C	C	.	.	H	α-helix	trans	-66.6	-31.6	178.9	-69.2	-178.8	0	0	0	112.5	N176 A177 S178 L183 L184 T215 V218	N176-L180 WeakPolarHBondContact O-CG 3.31Å; N176-L180 PolarHBondContact O-N 3.46Å; A177-L180 PolarHBondContact O-N 3.43Å; S178-L180 PolarHBondContact O-N 3.08Å; L180-L183 HydrophobicContact CD2-CD2 4.22Å; L180-L183 PolarHBondContact O-N 3.31Å; L180-L184 VanDerWaalsContact O-CB 3.26Å; L180-L184 WeakPolarHBondContact O-CB 3.06Å; L180-L184 PolarHBondContact O-N 2.94Å; L180-T215 HydrophobicContact CB-CG2 3.91Å; L180-T215 WeakPolarHBondContact CD1-O 3.39Å; L180-V218 HydrophobicContact CD1-CB 3.93Å; L180-V218 HydrophobicContact CD1-CG1 3.74Å
181	N	96.6	Very high	95.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.3	-38.3	171.1	-82.7	-59.4	0	0	0	111.7	S132 L133 A177 S178 V179 L184 I185 T215	S132-N181 WeakPolarHBondContact CB-OD1 3.38Å; S132-N181 VanDerWaalsContact OG-CG 3.27Å; S132-N181 PolarHBondContact OG-ND2 2.93Å; S132-N181 PolarHBondContact OG-OD1 3.26Å; L133-N181 HydrophobicContact CB-CB 4.17Å; L133-N181 HydrophobicContact CD1-CB 4.12Å; A177-N181 WeakPolarHBondContact O-CB 3.43Å; A177-N181 PolarHBondContact O-N 3.41Å; A177-N181 PolarHBondContact O-ND2 3.43Å; S178-N181 WeakPolarHBondContact O-CB 3.17Å; S178-N181 PolarHBondContact O-N 3.24Å; V179-N181 VanDerWaalsContact C-N 3.31Å; V179-N181 PolarHBondContact O-N 2.88Å; N181-L184 WeakPolarHBondContact O-CB 3.26Å; N181-L184 PolarHBondContact O-N 2.82Å; N181-I185 WeakPolarHBondContact O-CD1 3.29Å; N181-I185 VanDerWaalsContact O-CG1 3.24Å; N181-I185 WeakPolarHBondContact O-CG1 3.4Å; N181-I185 PolarHBondContact O-N 3.45Å; N181-T215 PolarHBondContact OD1-OG1 3.26Å
182	L	94.4	Very high	95.5	Very high	5 Å²	5	18.1 Å²	18.1	3%	0.026	9%	0.09	C	C	.	.	H	α-helix	trans	-64.8	-41.6	172.9	-72.6	173	0	0	0	112.1	L133 S178 V179 L184 I185 S186 M270 I589 F593	L133-L182 HydrophobicContact CD1-CG 4.25Å; L133-L182 HydrophobicContact CD2-CD2 3.55Å; L133-L182 HydrophobicContact CD2-CG 4.09Å; S178-L182 PolarHBondContact O-N 2.86Å; V179-L182 WeakPolarHBondContact O-CB 3.42Å; V179-L182 PolarHBondContact O-N 2.7Å; V179-L182 VanDerWaalsContact O-N 3.13Å; L182-L184 VanDerWaalsContact C-N 3.32Å; L182-L184 PolarHBondContact O-N 3.18Å; L182-I185 PolarHBondContact O-N 2.95Å; L182-S186 WeakPolarHBondContact O-CB 3.25Å; L182-S186 PolarHBondContact O-N 2.66Å; L182-S186 PolarHBondContact O-OG 3.48Å; L182-M270 HydrophobicContact CB-CE 3.85Å; L182-M270 HydrophobicContact CB-SD 4.48Å; L182-I589 HydrophobicContact CD2-CG2 3.68Å; L182-F593 HydrophobicContact CD1-CB 4.29Å; L182-F593 HydrophobicContact CD1-CD2 3.52Å; L182-F593 HydrophobicContact CD1-CE2 4.18Å; L182-F593 HydrophobicContact CD1-CG 4.09Å
183	L	96.3	Very high	95.1	Very high	28 Å²	28	17.8 Å²	17.8	15%	0.147	9%	0.09	C	C	.	.	H	α-helix	trans	-61.1	-42.3	172.1	176.1	63.3	0	0	0	111.2	V179 L180 S186 T187 P266 I269 M270 M273	V179-L183 PolarHBondContact O-N 2.86Å; L180-L183 HydrophobicContact CD2-CD2 4.22Å; L180-L183 PolarHBondContact O-N 3.31Å; L183-S186 WeakPolarHBondContact O-CB 3.41Å; L183-S186 PolarHBondContact O-N 2.76Å; L183-T187 WeakPolarHBondContact O-CB 3.29Å; L183-T187 PolarHBondContact O-N 3.13Å; L183-T187 PolarHBondContact O-OG1 3.44Å; L183-P266 HydrophobicContact CD2-CB 4.36Å; L183-I269 HydrophobicContact CD1-CB 4.06Å; L183-I269 HydrophobicContact CD1-CG2 3.73Å; L183-M270 HydrophobicContact CB-CG 4.29Å; L183-M270 HydrophobicContact CB-SD 4.25Å; L183-M270 HydrophobicContact CD1-CG 3.63Å; L183-M273 HydrophobicContact CD1-CE 3.71Å
184	L	96.1	Very high	94.6	Very high	17 Å²	17	18.7 Å²	18.7	9%	0.089	10%	0.097	C	C	.	.	H	α-helix	trans	-63.2	-45.8	178.1	-179.5	59.7	0	0	0	112.2	F129 L180 N181 L182 S186 T187 D188 M211 I212 T215	F129-L184 HydrophobicContact CD1-CD2 3.58Å; F129-L184 HydrophobicContact CD1-CG 3.97Å; F129-L184 HydrophobicContact CE1-CD2 3.73Å; F129-L184 HydrophobicContact CE1-CG 4.04Å; L180-L184 VanDerWaalsContact O-CB 3.26Å; L180-L184 WeakPolarHBondContact O-CB 3.06Å; L180-L184 PolarHBondContact O-N 2.94Å; N181-L184 WeakPolarHBondContact O-CB 3.26Å; N181-L184 PolarHBondContact O-N 2.82Å; L182-L184 VanDerWaalsContact C-N 3.32Å; L182-L184 PolarHBondContact O-N 3.18Å; L184-S186 VanDerWaalsContact C-N 3.27Å; L184-S186 PolarHBondContact O-N 2.98Å; L184-T187 PolarHBondContact O-N 3.18Å; L184-D188 PolarHBondContact O-N 2.87Å; L184-M211 HydrophobicContact CD1-CB 3.88Å; L184-M211 HydrophobicContact CD1-CE 3.36Å; L184-M211 HydrophobicContact CD1-CG 4.47Å; L184-M211 HydrophobicContact CD2-CB 4.02Å; L184-I212 HydrophobicContact CD2-CG1 4.14Å; L184-T215 HydrophobicContact CB-CG2 4.26Å; L184-T215 HydrophobicContact CD2-CG2 3.92Å
185	I	93.1	Very high	94.1	Very high	13 Å²	13	20.7 Å²	20.7	7%	0.067	11%	0.106	C	C	.	.	H	α-helix	trans	-57.1	-45.4	173.6	-70.2	160.3	0	0	0	109.8	F129 L130 L133 N181 L182 T187 D188 R189 L586	F129-I185 HydrophobicContact CB-CD1 4.34Å; F129-I185 HydrophobicContact CB-CG1 3.59Å; L130-I185 HydrophobicContact CD2-CD1 3.8Å; L133-I185 HydrophobicContact CD2-CD1 3.8Å; N181-I185 WeakPolarHBondContact O-CD1 3.29Å; N181-I185 VanDerWaalsContact O-CG1 3.24Å; N181-I185 WeakPolarHBondContact O-CG1 3.4Å; N181-I185 PolarHBondContact O-N 3.45Å; L182-I185 PolarHBondContact O-N 2.95Å; I185-T187 VanDerWaalsContact C-N 3.33Å; I185-T187 PolarHBondContact O-N 3.29Å; I185-D188 PolarHBondContact O-N 3.37Å; I185-R189 WeakPolarHBondContact O-CB 3.48Å; I185-R189 WeakPolarHBondContact O-CG 3.41Å; I185-R189 PolarHBondContact O-N 3.5Å; I185-L586 HydrophobicContact CG2-CD2 3.89Å
186	S	93.7	Very high	93.5	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.014	11%	0.109	C	C	.	.	H	α-helix	trans	-65	-38.7	-179.4	-55	0	0	0	0	111.8	L182 L183 L184 R189 F190 Y274	L182-S186 WeakPolarHBondContact O-CB 3.25Å; L182-S186 PolarHBondContact O-N 2.66Å; L182-S186 PolarHBondContact O-OG 3.48Å; L183-S186 WeakPolarHBondContact O-CB 3.41Å; L183-S186 PolarHBondContact O-N 2.76Å; L184-S186 VanDerWaalsContact C-N 3.27Å; L184-S186 PolarHBondContact O-N 2.98Å; S186-R189 WeakPolarHBondContact O-CB 3.49Å; S186-R189 PolarHBondContact O-N 3.34Å; S186-F190 WeakPolarHBondContact O-CB 3.14Å; S186-F190 PolarHBondContact O-N 3.32Å; S186-Y274 WeakPolarHBondContact OG-CE2 3.41Å; S186-Y274 PolarHBondContact OG-OH 3.39Å
187	T	94.8	Very high	92.9	Very high	41 Å²	41	24.8 Å²	24.8	25%	0.252	13%	0.128	S	C	.	.	H	α-helix	trans	-66.8	-49.7	176.2	-57.5	0	0	0	0	111.8	L183 L184 I185 R189 F190 L191	L183-T187 WeakPolarHBondContact O-CB 3.29Å; L183-T187 PolarHBondContact O-N 3.13Å; L183-T187 PolarHBondContact O-OG1 3.44Å; L184-T187 PolarHBondContact O-N 3.18Å; I185-T187 VanDerWaalsContact C-N 3.33Å; I185-T187 PolarHBondContact O-N 3.29Å; T187-R189 PolarHBondContact O-N 2.97Å; T187-F190 PolarHBondContact O-N 3.17Å; T187-F190 VanDerWaalsContact O-N 3.17Å; T187-L191 HydrophobicContact CG2-CD1 3.97Å; T187-L191 HydrophobicContact CG2-CG 4.38Å; T187-L191 WeakPolarHBondContact O-CG 3.49Å; T187-L191 PolarHBondContact O-N 3.01Å
188	D	93.7	Very high	92.3	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-56.3	-37.8	175.2	173.8	69.4	0	0	0	111.2	F129 L184 I185 S192 Y199 R203	F129-D188 HydrophobicContact CD2-CB 4.35Å; F129-D188 HydrophobicContact CE2-CB 3.8Å; F129-D188 HydrophobicContact CZ-CB 4.45Å; L184-D188 PolarHBondContact O-N 2.87Å; I185-D188 PolarHBondContact O-N 3.37Å; D188-S192 WeakPolarHBondContact O-CB 3.47Å; D188-S192 PolarHBondContact O-N 3.17Å; D188-S192 PolarHBondContact O-OG 3.25Å; D188-Y199 WeakPolarHBondContact OD1-CE1 3.28Å; D188-Y199 PolarHBondContact OD1-OH 2.89Å; D188-R203 WeakPolarHBondContact OD1-CD 3.33Å; D188-R203 IonicContact OD1-CZ 3.14Å; D188-R203 IonicContact OD1-NH1 3.85Å; D188-R203 PolarHBondContact OD1-NH1 2.89Å; D188-R203 IonicContact OD2-NH1 3.71Å; D188-R203 PolarHBondContact OD2-NH1 3.13Å; D188-R203 VanDerWaalsContact OD2-NH1 3.12Å
189	R	92.2	Very high	92	Very high	64 Å²	64	30.2 Å²	30.2	24%	0.242	16%	0.157	C	C	.	.	H	α-helix	trans	-68.2	-47.2	177.3	-69.9	-71.8	145.3	-165.1	-9.6	112.3	N126 I185 S186 T187 S192 V193 I277 L586	N126-R189 PolarHBondContact ND2-NH2 2.96Å; N126-R189 PolarHBondContact OD1-NH2 3.25Å; I185-R189 WeakPolarHBondContact O-CB 3.48Å; I185-R189 WeakPolarHBondContact O-CG 3.41Å; I185-R189 PolarHBondContact O-N 3.5Å; S186-R189 WeakPolarHBondContact O-CB 3.49Å; S186-R189 PolarHBondContact O-N 3.34Å; T187-R189 PolarHBondContact O-N 2.97Å; R189-S192 PolarHBondContact O-N 3.25Å; R189-V193 WeakPolarHBondContact O-CG2 3.34Å; R189-V193 PolarHBondContact O-N 2.88Å; R189-I277 HydrophobicContact CB-CD1 4.29Å; R189-L586 HydrophobicContact CB-CD1 4.13Å; R189-L586 HydrophobicContact CG-CD1 3.54Å
190	F	93.3	Very high	91.6	Very high	41 Å²	41	32.1 Å²	32.1	18%	0.18	16%	0.164	C	C	.	.	H	α-helix	trans	-55.7	-54.5	176.9	175.9	-104.3	0	0	0	110.6	S186 T187 S192 V193 T194 M273 K276 I277	S186-F190 WeakPolarHBondContact O-CB 3.14Å; S186-F190 PolarHBondContact O-N 3.32Å; T187-F190 PolarHBondContact O-N 3.17Å; T187-F190 VanDerWaalsContact O-N 3.17Å; F190-S192 VanDerWaalsContact C-N 3.33Å; F190-S192 PolarHBondContact O-N 3.5Å; F190-V193 PolarHBondContact O-N 2.99Å; F190-T194 HydrophobicContact CD2-CG2 4.02Å; F190-T194 HydrophobicContact CE1-CG2 4.16Å; F190-T194 HydrophobicContact CE2-CG2 3.59Å; F190-T194 HydrophobicContact CG-CG2 4.47Å; F190-T194 HydrophobicContact CZ-CG2 3.67Å; F190-T194 WeakPolarHBondContact O-CG2 3.44Å; F190-T194 PolarHBondContact O-N 3.34Å; F190-T194 PolarHBondContact O-OG1 3.33Å; F190-M273 HydrophobicContact CB-CB 4.27Å; F190-M273 HydrophobicContact CB-CG 4.3Å; F190-M273 HydrophobicContact CB-SD 4.03Å; F190-M273 HydrophobicContact CD2-CB 4.27Å; F190-M273 HydrophobicContact CD2-CG 4.38Å; F190-M273 HydrophobicContact CG-CB 4.35Å; F190-M273 HydrophobicContact CG-CG 4.16Å; F190-M273 HydrophobicContact CG-SD 4.32Å; F190-K276 HydrophobicContact CD2-CB 4.35Å; F190-K276 HydrophobicContact CE2-CB 3.73Å; F190-K276 HydrophobicContact CE2-CD 3.85Å; F190-K276 HydrophobicContact CE2-CG 4.43Å; F190-K276 HydrophobicContact CZ-CD 4.12Å; F190-I277 HydrophobicContact CB-CD1 4.11Å; F190-I277 HydrophobicContact CB-CG1 4.39Å; F190-I277 HydrophobicContact CD2-CG1 4.07Å
191	L	94.2	Very high	91.1	Very high	41 Å²	41	34.8 Å²	34.8	22%	0.215	18%	0.183	C	C	.	.	H	α-helix	trans	-62.5	-38	180	-60.3	173.9	0	0	0	112.3	T187 V193 T194 M195 Y199	T187-L191 HydrophobicContact CG2-CD1 3.97Å; T187-L191 HydrophobicContact CG2-CG 4.38Å; T187-L191 WeakPolarHBondContact O-CG 3.49Å; T187-L191 PolarHBondContact O-N 3.01Å; L191-V193 VanDerWaalsContact C-N 3.29Å; L191-V193 PolarHBondContact O-N 2.95Å; L191-T194 WeakPolarHBondContact CA-OG1 3.49Å; L191-T194 PolarHBondContact O-OG1 2.92Å; L191-M195 HydrophobicContact CB-CE 4.17Å; L191-M195 HydrophobicContact CD2-CE 3.37Å; L191-M195 HydrophobicContact CG-CE 4.32Å; L191-M195 PolarHBondContact O-N 3.33Å; L191-Y199 HydrophobicContact CB-CD1 3.57Å; L191-Y199 HydrophobicContact CB-CD2 4Å; L191-Y199 HydrophobicContact CB-CE1 3.6Å; L191-Y199 HydrophobicContact CB-CE2 4.07Å; L191-Y199 HydrophobicContact CB-CG 3.77Å; L191-Y199 HydrophobicContact CD1-CD2 4.16Å; L191-Y199 HydrophobicContact CD1-CE1 4.48Å; L191-Y199 HydrophobicContact CD1-CE2 3.71Å
192	S	90.5	Very high	90.8	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.028	21%	0.209	C	C	.	.	H	α-helix	trans	-65.2	-31.9	174.9	-68.2	0	0	0	0	113	D188 R189 F190 R200 R203	D188-S192 WeakPolarHBondContact O-CB 3.47Å; D188-S192 PolarHBondContact O-N 3.17Å; D188-S192 PolarHBondContact O-OG 3.25Å; R189-S192 PolarHBondContact O-N 3.25Å; F190-S192 VanDerWaalsContact C-N 3.33Å; F190-S192 PolarHBondContact O-N 3.5Å; S192-R200 PolarHBondContact O-NE 3.39Å; S192-R200 PolarHBondContact O-NH2 3.45Å; S192-R203 PolarHBondContact OG-NH1 3.45Å; S192-R203 VanDerWaalsContact OG-NH1 3.14Å
193	V	88.3	Confident	90.6	Very high	14 Å²	14	43.7 Å²	43.7	9%	0.085	22%	0.216	C	C	.	.	H	α-helix	trans	-81.9	-44.8	178.7	170.8	0	0	0	0	110.5	R189 F190 L191 I277 I280 R284	R189-V193 WeakPolarHBondContact O-CG2 3.34Å; R189-V193 PolarHBondContact O-N 2.88Å; F190-V193 PolarHBondContact O-N 2.99Å; L191-V193 VanDerWaalsContact C-N 3.29Å; L191-V193 PolarHBondContact O-N 2.95Å; V193-I277 HydrophobicContact CG2-CG2 4.45Å; V193-I280 HydrophobicContact CG1-CG2 4.02Å; V193-R284 VanDerWaalsContact O-CZ 3.23Å; V193-R284 PolarHBondContact O-NH1 3.28Å; V193-R284 PolarHBondContact O-NH2 2.93Å
194	T	88.2	Confident	90.4	Very high	43 Å²	43	45.3 Å²	45.3	26%	0.264	23%	0.227	S	C	.	.	H	α-helix	trans	-73.5	-37.2	-177	53.6	0	0	0	0	112.9	F190 L191 P196 I280	F190-T194 HydrophobicContact CD2-CG2 4.02Å; F190-T194 HydrophobicContact CE1-CG2 4.16Å; F190-T194 HydrophobicContact CE2-CG2 3.59Å; F190-T194 HydrophobicContact CG-CG2 4.47Å; F190-T194 HydrophobicContact CZ-CG2 3.67Å; F190-T194 WeakPolarHBondContact O-CG2 3.44Å; F190-T194 PolarHBondContact O-N 3.34Å; F190-T194 PolarHBondContact O-OG1 3.33Å; L191-T194 WeakPolarHBondContact CA-OG1 3.49Å; L191-T194 PolarHBondContact O-OG1 2.92Å; T194-P196 VanDerWaalsContact C-CD 3.48Å; T194-P196 VanDerWaalsContact O-CD 3.31Å; T194-P196 WeakPolarHBondContact O-CD 3.21Å; T194-I280 HydrophobicContact CG2-CD1 3.7Å
195	M	88.3	Confident	90.1	Very high	76 Å²	76	49.9 Å²	49.9	37%	0.374	25%	0.246	S	C	.	.			trans	-124.2	66.5	-173.2	-64.5	-176.4	-74.3	0	0	112.6	L191 L197 T198 Y199	L191-M195 HydrophobicContact CB-CE 4.17Å; L191-M195 HydrophobicContact CD2-CE 3.37Å; L191-M195 HydrophobicContact CG-CE 4.32Å; L191-M195 PolarHBondContact O-N 3.33Å; M195-L197 PolarHBondContact O-N 3.36Å; M195-T198 PolarHBondContact O-N 2.68Å; M195-Y199 WeakPolarHBondContact O-CB 3.31Å; M195-Y199 PolarHBondContact O-N 2.81Å
196	P	83.2	Confident	90.1	Very high	16 Å²	16	57.6 Å²	57.6	10%	0.104	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-40.3	-175.3	24.1	-33	0	0	0	113.3	T194 R200 F475	T194-P196 VanDerWaalsContact C-CD 3.48Å; T194-P196 VanDerWaalsContact O-CD 3.31Å; T194-P196 WeakPolarHBondContact O-CD 3.21Å; P196-R200 WeakPolarHBondContact O-CB 3.5Å; P196-R200 WeakPolarHBondContact O-CG 3.12Å; P196-F475 HydrophobicContact CB-CE2 3.98Å; P196-F475 HydrophobicContact CB-CZ 4.4Å; P196-F475 HydrophobicContact CG-CD2 4.43Å; P196-F475 HydrophobicContact CG-CE2 3.94Å; P196-F475 HydrophobicContact CG-CZ 4.07Å
197	L	85	Confident	90.1	Very high	85 Å²	85	64.5 Å²	64.5	45%	0.445	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-21.5	-175.7	-53.5	-176.8	0	0	0	113.7	M195 P201 D472 F475	M195-L197 PolarHBondContact O-N 3.36Å; L197-P201 WeakPolarHBondContact O-CG 3.23Å; L197-D472 HydrophobicContact CD2-CB 3.62Å; L197-D472 WeakPolarHBondContact CD2-OD1 3.36Å; L197-F475 HydrophobicContact CD2-CD2 4.23Å
198	T	86.5	Confident	90	Very high	74 Å²	74	62.7 Å²	62.7	45%	0.454	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-47.7	-171.1	-70	0	0	0	0	111.5	M195 R202	M195-T198 PolarHBondContact O-N 2.68Å; T198-R202 WeakPolarHBondContact O-CD 3.47Å; T198-R202 WeakPolarHBondContact O-CG 3.48Å; T198-R202 PolarHBondContact O-NH1 3.32Å
199	Y	89.8	Confident	90	Very high	40 Å²	40	66.5 Å²	66.5	16%	0.157	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-47.6	-175.3	177	-107.6	0	0	0	111.5	D188 L191 M195 R202 R203	D188-Y199 WeakPolarHBondContact OD1-CE1 3.28Å; D188-Y199 PolarHBondContact OD1-OH 2.89Å; L191-Y199 HydrophobicContact CB-CD1 3.57Å; L191-Y199 HydrophobicContact CB-CD2 4Å; L191-Y199 HydrophobicContact CB-CE1 3.6Å; L191-Y199 HydrophobicContact CB-CE2 4.07Å; L191-Y199 HydrophobicContact CB-CG 3.77Å; L191-Y199 HydrophobicContact CD1-CD2 4.16Å; L191-Y199 HydrophobicContact CD1-CE1 4.48Å; L191-Y199 HydrophobicContact CD1-CE2 3.71Å; M195-Y199 WeakPolarHBondContact O-CB 3.31Å; M195-Y199 PolarHBondContact O-N 2.81Å; Y199-R202 PolarHBondContact O-N 3.34Å; Y199-R202 VanDerWaalsContact O-N 3.11Å; Y199-R203 HydrophobicContact CD1-CG 4.23Å; Y199-R203 VanDerWaalsContact CE1-CD 3.44Å; Y199-R203 HydrophobicContact CE1-CG 3.9Å; Y199-R203 HydrophobicContact CE2-CG 4.3Å; Y199-R203 WeakPolarHBondContact O-CG 3.3Å; Y199-R203 PolarHBondContact O-N 3.07Å
200	R	87.6	Confident	90.2	Very high	43 Å²	43	67.7 Å²	67.7	16%	0.162	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-60.4	-45.3	-173	-57.5	-178.9	-178.8	-161.5	5.2	114.1	S192 P196 R202 R203 E579	S192-R200 PolarHBondContact O-NE 3.39Å; S192-R200 PolarHBondContact O-NH2 3.45Å; P196-R200 WeakPolarHBondContact O-CB 3.5Å; P196-R200 WeakPolarHBondContact O-CG 3.12Å; R200-R202 PolarHBondContact O-N 3.45Å; R200-R203 PolarHBondContact O-N 2.84Å; R200-E579 IonicContact CZ-OE1 3.12Å; R200-E579 IonicContact NH1-OE1 2.86Å; R200-E579 IonicContact NH2-OE1 4Å; R200-E579 PolarHBondContact NH2-OE1 3.43Å
201	P	88.1	Confident	90.3	Very high	82 Å²	82	68.1 Å²	68.1	53%	0.532	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-67.1	-25.2	179.1	-21.9	36.2	0	0	0	112.7	L197	L197-P201 WeakPolarHBondContact O-CG 3.23Å
202	R	90.5	Very high	90.4	Very high	143 Å²	143	67.2 Å²	67.2	54%	0.54	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-86.3	-2.7	179.6	-67.5	-173.1	177.5	97.5	-8.3	114	T198 Y199 R200 T204 R207	T198-R202 WeakPolarHBondContact O-CD 3.47Å; T198-R202 WeakPolarHBondContact O-CG 3.48Å; T198-R202 PolarHBondContact O-NH1 3.32Å; Y199-R202 PolarHBondContact O-N 3.34Å; Y199-R202 VanDerWaalsContact O-N 3.11Å; R200-R202 PolarHBondContact O-N 3.45Å; R202-T204 PolarHBondContact O-N 3.39Å; R202-R207 PolarHBondContact O-NH1 2.68Å
203	R	88.6	Confident	90.7	Very high	50 Å²	50	70.7 Å²	70.7	19%	0.189	35%	0.347	C	S	.	.			trans	-74.6	124.1	177.8	-70.9	-168.3	-62.5	172.4	10.4	110.2	I125 N126 D188 S192 Y199 R200	I125-R203 HydrophobicContact CD1-CB 4.27Å; I125-R203 VanDerWaalsContact CD1-O 3.28Å; I125-R203 WeakPolarHBondContact CD1-O 3.49Å; N126-R203 PolarHBondContact OD1-NH1 3.44Å; N126-R203 PolarHBondContact OD1-NH2 3.26Å; D188-R203 WeakPolarHBondContact OD1-CD 3.33Å; D188-R203 IonicContact OD1-CZ 3.14Å; D188-R203 IonicContact OD1-NH1 3.85Å; D188-R203 PolarHBondContact OD1-NH1 2.89Å; D188-R203 IonicContact OD2-NH1 3.71Å; D188-R203 PolarHBondContact OD2-NH1 3.13Å; D188-R203 VanDerWaalsContact OD2-NH1 3.12Å; S192-R203 PolarHBondContact OG-NH1 3.45Å; S192-R203 VanDerWaalsContact OG-NH1 3.14Å; Y199-R203 HydrophobicContact CD1-CG 4.23Å; Y199-R203 VanDerWaalsContact CE1-CD 3.44Å; Y199-R203 HydrophobicContact CE1-CG 3.9Å; Y199-R203 HydrophobicContact CE2-CG 4.3Å; Y199-R203 WeakPolarHBondContact O-CG 3.3Å; Y199-R203 PolarHBondContact O-N 3.07Å; R200-R203 PolarHBondContact O-N 2.84Å
204	T	92.5	Very high	91.2	Very high	62 Å²	62	74.6 Å²	74.6	38%	0.38	37%	0.367	S	S	.	.			trans	-127.9	156.7	177.2	66.6	0	0	0	0	110	R202 K206 R207 A208	R202-T204 PolarHBondContact O-N 3.39Å; T204-K206 VanDerWaalsContact C-N 3.29Å; T204-K206 PolarHBondContact O-N 3.32Å; T204-R207 PolarHBondContact O-N 3.31Å; T204-R207 WeakPolarHBondContact OG1-CG 3.49Å; T204-R207 PolarHBondContact OG1-N 3.05Å; T204-A208 PolarHBondContact O-N 3.18Å; T204-A208 VanDerWaalsContact O-N 3.13Å
205	K	90	Very high	91.6	Very high	112 Å²	112	73.1 Å²	73.1	49%	0.487	36%	0.358	S	S	.	.	H	α-helix	trans	-58	-41.6	176.6	-64.1	179.6	-176.5	176.9	0	111.9	I125 Y128 R207 A208 I209	I125-K205 HydrophobicContact CG1-CG 4.22Å; Y128-K205 HydrophobicContact CE2-CG 4.48Å; K205-R207 PolarHBondContact O-N 3.45Å; K205-A208 PolarHBondContact O-N 2.91Å; K205-I209 WeakPolarHBondContact O-CG1 3.32Å; K205-I209 PolarHBondContact O-N 3.09Å
206	K	92.7	Very high	92.1	Very high	175 Å²	175	71.6 Å²	71.6	76%	0.761	35%	0.349	S	S	*	.	H	α-helix	trans	-57.8	-48.3	179	-66.7	-174	178.8	-176.2	0	111.7	T204 A208 I209 V210	T204-K206 VanDerWaalsContact C-N 3.29Å; T204-K206 PolarHBondContact O-N 3.32Å; K206-A208 PolarHBondContact O-N 3.15Å; K206-I209 PolarHBondContact O-N 3.38Å; K206-V210 WeakPolarHBondContact O-CG2 3.24Å; K206-V210 PolarHBondContact O-N 3.34Å
207	R	93.7	Very high	92.8	Very high	148 Å²	148	73.9 Å²	73.9	56%	0.558	36%	0.363	S	S	*	.	H	α-helix	trans	-64.9	-39.9	178.1	-71.5	179.3	174.5	-172.8	-6.5	112.4	R202 T204 K205 I209 V210 M211	R202-R207 PolarHBondContact O-NH1 2.68Å; T204-R207 PolarHBondContact O-N 3.31Å; T204-R207 WeakPolarHBondContact OG1-CG 3.49Å; T204-R207 PolarHBondContact OG1-N 3.05Å; K205-R207 PolarHBondContact O-N 3.45Å; R207-I209 PolarHBondContact O-N 3.09Å; R207-V210 PolarHBondContact O-N 3.36Å; R207-M211 VanDerWaalsContact O-CG 3.29Å; R207-M211 WeakPolarHBondContact O-CG 3.48Å; R207-M211 PolarHBondContact O-N 3.07Å
208	A	93.2	Very high	93.4	Very high	2 Å²	2	73.4 Å²	73.4	2%	0.017	36%	0.363	C	S	.	.	H	α-helix	trans	-62.1	-42.2	175.8	0	0	0	0	0	112.1	I125 F129 T204 K205 K206 M211 I212	I125-A208 HydrophobicContact CG2-CB 3.93Å; F129-A208 HydrophobicContact CE1-CB 3.9Å; F129-A208 HydrophobicContact CZ-CB 3.82Å; T204-A208 PolarHBondContact O-N 3.18Å; T204-A208 VanDerWaalsContact O-N 3.13Å; K205-A208 PolarHBondContact O-N 2.91Å; K206-A208 PolarHBondContact O-N 3.15Å; A208-M211 PolarHBondContact O-N 3.49Å; A208-I212 WeakPolarHBondContact O-CG1 3.21Å; A208-I212 PolarHBondContact O-N 3.04Å
209	I	94.1	Very high	94	Very high	82 Å²	82	69.9 Å²	69.9	42%	0.421	34%	0.342	S	S	.	.	H	α-helix	trans	-63.8	-43.3	175.6	-67.6	165.8	0	0	0	111	K205 K206 R207 M211 I212 V213	K205-I209 WeakPolarHBondContact O-CG1 3.32Å; K205-I209 PolarHBondContact O-N 3.09Å; K206-I209 PolarHBondContact O-N 3.38Å; R207-I209 PolarHBondContact O-N 3.09Å; I209-M211 VanDerWaalsContact C-N 3.33Å; I209-M211 PolarHBondContact O-N 3.43Å; I209-I212 WeakPolarHBondContact O-CB 3.26Å; I209-I212 PolarHBondContact O-N 3.5Å; I209-V213 HydrophobicContact CG2-CG2 4.31Å; I209-V213 WeakPolarHBondContact O-CG2 3.38Å; I209-V213 PolarHBondContact O-N 2.85Å
210	V	95.7	Very high	94.4	Very high	89 Å²	89	70.1 Å²	70.1	54%	0.539	35%	0.349	S	S	.	.	H	α-helix	trans	-58.3	-47	175.1	170.9	0	0	0	0	110.8	K206 R207 I212 V213 L214	K206-V210 WeakPolarHBondContact O-CG2 3.24Å; K206-V210 PolarHBondContact O-N 3.34Å; R207-V210 PolarHBondContact O-N 3.36Å; V210-I212 VanDerWaalsContact C-N 3.29Å; V210-I212 PolarHBondContact O-N 3.4Å; V210-V213 PolarHBondContact O-N 3.27Å; V210-L214 HydrophobicContact CG1-CD1 4.21Å; V210-L214 VanDerWaalsContact O-CG 3.3Å; V210-L214 WeakPolarHBondContact O-CG 3.49Å; V210-L214 PolarHBondContact O-N 2.61Å
211	M	96.1	Very high	94.8	Very high	50 Å²	50	73.1 Å²	73.1	25%	0.246	37%	0.367	C	S	.	.	H	α-helix	trans	-60.4	-38	177.1	-67.4	162.3	74.5	0	0	112.5	F129 L184 R207 A208 I209 T215	F129-M211 HydrophobicContact CZ-CE 4.49Å; L184-M211 HydrophobicContact CD1-CB 3.88Å; L184-M211 HydrophobicContact CD1-CE 3.36Å; L184-M211 HydrophobicContact CD1-CG 4.47Å; L184-M211 HydrophobicContact CD2-CB 4.02Å; R207-M211 VanDerWaalsContact O-CG 3.29Å; R207-M211 WeakPolarHBondContact O-CG 3.48Å; R207-M211 PolarHBondContact O-N 3.07Å; A208-M211 PolarHBondContact O-N 3.49Å; I209-M211 VanDerWaalsContact C-N 3.33Å; I209-M211 PolarHBondContact O-N 3.43Å; M211-T215 PolarHBondContact O-N 3.41Å
212	I	96.6	Very high	95.2	Very high	22 Å²	22	71 Å²	71	11%	0.113	35%	0.352	C	S	.	.	H	α-helix	trans	-65.8	-48.9	174.6	-73	161.9	0	0	0	111	F129 S132 L184 A208 I209 V210 L214 T215 F216	F129-I212 HydrophobicContact CD1-CD1 3.92Å; F129-I212 HydrophobicContact CD1-CG1 3.79Å; F129-I212 HydrophobicContact CE1-CD1 4.34Å; F129-I212 HydrophobicContact CE1-CG1 4.18Å; S132-I212 WeakPolarHBondContact OG-CG2 3.45Å; L184-I212 HydrophobicContact CD2-CG1 4.14Å; A208-I212 WeakPolarHBondContact O-CG1 3.21Å; A208-I212 PolarHBondContact O-N 3.04Å; I209-I212 WeakPolarHBondContact O-CB 3.26Å; I209-I212 PolarHBondContact O-N 3.5Å; V210-I212 VanDerWaalsContact C-N 3.29Å; V210-I212 PolarHBondContact O-N 3.4Å; I212-L214 PolarHBondContact O-N 3.01Å; I212-T215 PolarHBondContact O-N 2.91Å; I212-T215 PolarHBondContact O-OG1 3.43Å; I212-F216 HydrophobicContact CG2-CD2 4.21Å; I212-F216 HydrophobicContact CG2-CE2 4.03Å; I212-F216 WeakPolarHBondContact O-CD2 3.31Å; I212-F216 PolarHBondContact O-N 2.61Å
213	V	96.2	Very high	95.5	Very high	76 Å²	76	65 Å²	65	46%	0.461	33%	0.329	S	S	.	.	H	α-helix	trans	-59	-37.7	179.3	171	0	0	0	0	110.7	I209 V210 T215 F216 V217	I209-V213 HydrophobicContact CG2-CG2 4.31Å; I209-V213 WeakPolarHBondContact O-CG2 3.38Å; I209-V213 PolarHBondContact O-N 2.85Å; V210-V213 PolarHBondContact O-N 3.27Å; V213-T215 VanDerWaalsContact C-N 3.31Å; V213-T215 PolarHBondContact O-N 3.08Å; V213-F216 PolarHBondContact O-N 2.94Å; V213-V217 HydrophobicContact CG1-CG2 4.07Å; V213-V217 WeakPolarHBondContact O-CG2 3.35Å; V213-V217 PolarHBondContact O-N 3.22Å
214	L	97.6	Very high	96	Very high	97 Å²	97	63.6 Å²	63.6	51%	0.508	33%	0.327	S	S	.	.	H	α-helix	trans	-61	-35.4	175.4	-70.9	172.4	0	0	0	113.1	V210 I212 V217 V218	V210-L214 HydrophobicContact CG1-CD1 4.21Å; V210-L214 VanDerWaalsContact O-CG 3.3Å; V210-L214 WeakPolarHBondContact O-CG 3.49Å; V210-L214 PolarHBondContact O-N 2.61Å; I212-L214 PolarHBondContact O-N 3.01Å; L214-V217 PolarHBondContact O-N 3.37Å; L214-V218 WeakPolarHBondContact O-CB 3.32Å; L214-V218 VanDerWaalsContact O-CG2 3.26Å; L214-V218 WeakPolarHBondContact O-CG2 3.45Å; L214-V218 PolarHBondContact O-N 2.92Å
215	T	97.9	Very high	96.2	Very high	12 Å²	12	63.7 Å²	63.7	7%	0.074	33%	0.328	C	S	.	.	H	α-helix	trans	-65.6	-40.9	177	64.2	0	0	0	0	111.4	L180 N181 L184 M211 I212 V213 S219	L180-T215 HydrophobicContact CB-CG2 3.91Å; L180-T215 WeakPolarHBondContact CD1-O 3.39Å; N181-T215 PolarHBondContact OD1-OG1 3.26Å; L184-T215 HydrophobicContact CB-CG2 4.26Å; L184-T215 HydrophobicContact CD2-CG2 3.92Å; M211-T215 PolarHBondContact O-N 3.41Å; I212-T215 PolarHBondContact O-N 2.91Å; I212-T215 PolarHBondContact O-OG1 3.43Å; V213-T215 VanDerWaalsContact C-N 3.31Å; V213-T215 PolarHBondContact O-N 3.08Å; T215-S219 PolarHBondContact O-N 3.3Å; T215-S219 VanDerWaalsContact O-N 3.13Å; T215-S219 PolarHBondContact O-OG 3.47Å; T215-S219 VanDerWaalsContact O-OG 3.05Å
216	F	98.5	Very high	96.5	Very high	43 Å²	43	64.4 Å²	64.4	19%	0.189	33%	0.328	C	S	.	.	H	α-helix	trans	-68	-43.1	175.1	-74.6	-87.4	0	0	0	112.4	S132 L173 M174 A177 I212 V213 V218 S219 S220	S132-F216 WeakPolarHBondContact OG-CE2 3.43Å; L173-F216 HydrophobicContact CD2-CD1 4.32Å; M174-F216 HydrophobicContact SD-CE1 4.09Å; A177-F216 HydrophobicContact CB-CD1 3.87Å; A177-F216 HydrophobicContact CB-CE1 3.86Å; A177-F216 HydrophobicContact CB-CG 4.4Å; A177-F216 HydrophobicContact CB-CZ 4.37Å; I212-F216 HydrophobicContact CG2-CD2 4.21Å; I212-F216 HydrophobicContact CG2-CE2 4.03Å; I212-F216 WeakPolarHBondContact O-CD2 3.31Å; I212-F216 PolarHBondContact O-N 2.61Å; V213-F216 PolarHBondContact O-N 2.94Å; F216-V218 PolarHBondContact O-N 2.97Å; F216-S219 PolarHBondContact O-N 3.49Å; F216-S220 WeakPolarHBondContact O-CB 3.21Å; F216-S220 PolarHBondContact O-N 3.24Å; F216-S220 PolarHBondContact O-OG 3.47Å
217	V	98.3	Very high	96.6	Very high	65 Å²	65	56.4 Å²	56.4	39%	0.394	29%	0.293	S	S	.	.	H	α-helix	trans	-61.5	-45.2	178.8	170.1	0	0	0	0	111.3	V213 L214 S219 S220 I221	V213-V217 HydrophobicContact CG1-CG2 4.07Å; V213-V217 WeakPolarHBondContact O-CG2 3.35Å; V213-V217 PolarHBondContact O-N 3.22Å; L214-V217 PolarHBondContact O-N 3.37Å; V217-S219 PolarHBondContact O-N 2.88Å; V217-S220 PolarHBondContact O-N 2.92Å; V217-I221 HydrophobicContact CG1-CD1 3.84Å; V217-I221 WeakPolarHBondContact O-CG1 3.32Å; V217-I221 PolarHBondContact O-N 3.23Å
218	V	97.9	Very high	96.8	Very high	74 Å²	74	53.5 Å²	53.5	45%	0.448	29%	0.288	S	S	.	.	H	α-helix	trans	-62.4	-43.5	177.2	172.6	0	0	0	0	110.9	L180 L214 F216 I221 L222	L180-V218 HydrophobicContact CD1-CB 3.93Å; L180-V218 HydrophobicContact CD1-CG1 3.74Å; L214-V218 WeakPolarHBondContact O-CB 3.32Å; L214-V218 VanDerWaalsContact O-CG2 3.26Å; L214-V218 WeakPolarHBondContact O-CG2 3.45Å; L214-V218 PolarHBondContact O-N 2.92Å; F216-V218 PolarHBondContact O-N 2.97Å; V218-I221 PolarHBondContact O-N 3.5Å; V218-L222 WeakPolarHBondContact O-CB 3.25Å; V218-L222 PolarHBondContact O-N 2.74Å
219	S	98.3	Very high	96.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-43.2	174.5	-63.7	0	0	0	0	113.1	N176 A177 T215 F216 V217 I221 L222 W223	N176-S219 VanDerWaalsContact C-OG 3.26Å; N176-S219 WeakPolarHBondContact ND2-CA 3.46Å; N176-S219 PolarHBondContact ND2-OG 2.85Å; A177-S219 VanDerWaalsContact CA-OG 3.22Å; A177-S219 WeakPolarHBondContact CA-OG 3.42Å; A177-S219 PolarHBondContact N-OG 2.84Å; T215-S219 PolarHBondContact O-N 3.3Å; T215-S219 VanDerWaalsContact O-N 3.13Å; T215-S219 PolarHBondContact O-OG 3.47Å; T215-S219 VanDerWaalsContact O-OG 3.05Å; F216-S219 PolarHBondContact O-N 3.49Å; V217-S219 PolarHBondContact O-N 2.88Å; S219-I221 VanDerWaalsContact C-N 3.29Å; S219-I221 PolarHBondContact O-N 3.28Å; S219-L222 PolarHBondContact O-N 3.01Å; S219-W223 PolarHBondContact O-N 3.45Å
220	S	97.5	Very high	97	Very high	45 Å²	45	53 Å²	53	32%	0.315	29%	0.288	S	S	.	.	H	α-helix	trans	-65.3	-31.9	178.8	-64.3	0	0	0	0	112.5	L173 F216 V217 P224 P225	L173-S220 WeakPolarHBondContact CD1-OG 3.06Å; F216-S220 WeakPolarHBondContact O-CB 3.21Å; F216-S220 PolarHBondContact O-N 3.24Å; F216-S220 PolarHBondContact O-OG 3.47Å; V217-S220 PolarHBondContact O-N 2.92Å; S220-P224 VanDerWaalsContact O-CD 3.25Å; S220-P224 WeakPolarHBondContact O-CD 3.45Å; S220-P225 WeakPolarHBondContact O-CD 3.25Å
221	I	97.1	Very high	97	Very high	106 Å²	106	48.9 Å²	48.9	54%	0.544	26%	0.263	S	S	.	.	H	α-helix	trans	-75.8	-36.4	175.4	-68.8	166.8	0	0	0	111.1	V217 V218 S219 W226	V217-I221 HydrophobicContact CG1-CD1 3.84Å; V217-I221 WeakPolarHBondContact O-CG1 3.32Å; V217-I221 PolarHBondContact O-N 3.23Å; V218-I221 PolarHBondContact O-N 3.5Å; S219-I221 VanDerWaalsContact C-N 3.29Å; S219-I221 PolarHBondContact O-N 3.28Å; I221-W226 PolarHBondContact O-NE1 3.14Å; I221-W226 VanDerWaalsContact O-NE1 3.08Å
222	L	96	Very high	97	Very high	39 Å²	39	53.9 Å²	53.9	20%	0.204	28%	0.28	C	S	.	.	H	α-helix	trans	-73.3	-28.9	-175.3	-174.2	62.1	0	0	0	113.4	V218 S219 A261 A262	V218-L222 WeakPolarHBondContact O-CB 3.25Å; V218-L222 PolarHBondContact O-N 2.74Å; S219-L222 PolarHBondContact O-N 3.01Å; L222-A261 HydrophobicContact CD1-CB 4.32Å; L222-A261 HydrophobicContact CD2-CB 4.39Å; L222-A262 HydrophobicContact CD2-CB 4.23Å
223	W	97.7	Very high	96.8	Very high	15 Å²	15	58.1 Å²	58.1	6%	0.057	30%	0.302	C	S	.	.	S	Bend	trans	-116.2	-71.3	-171	-65.7	106.4	0	0	0	113.6	Y172 N176 S219 W226 I227 I245 F247 A262	Y172-W223 AromaticContact CD1-CD2 3.86Å; Y172-W223 HydrophobicContact CD1-CD2 3.86Å; Y172-W223 AromaticContact CD1-CE2 3.99Å; Y172-W223 AromaticContact CD1-CE3 3.52Å; Y172-W223 HydrophobicContact CD1-CE3 3.52Å; Y172-W223 AromaticContact CD1-CH2 3.52Å; Y172-W223 HydrophobicContact CD1-CH2 3.52Å; Y172-W223 AromaticContact CD1-CZ2 3.84Å; Y172-W223 HydrophobicContact CD1-CZ2 3.84Å; Y172-W223 AromaticContact CD1-CZ3 3.34Å; Y172-W223 HydrophobicContact CD1-CZ3 3.34Å; Y172-W223 HydrophobicContact CE1-CE3 4.33Å; Y172-W223 AromaticContact CE1-CH2 3.84Å; Y172-W223 HydrophobicContact CE1-CH2 3.84Å; Y172-W223 HydrophobicContact CE1-CZ2 4.49Å; Y172-W223 AromaticContact CE1-CZ3 3.74Å; Y172-W223 HydrophobicContact CE1-CZ3 3.74Å; Y172-W223 HydrophobicContact CG-CD2 4.23Å; Y172-W223 AromaticContact CG-CE3 4Å; Y172-W223 HydrophobicContact CG-CE3 4Å; Y172-W223 HydrophobicContact CG-CZ3 4.24Å; N176-W223 PolarHBondContact OD1-NE1 3.49Å; S219-W223 PolarHBondContact O-N 3.45Å; W223-W226 PolarHBondContact O-N 3.41Å; W223-I227 HydrophobicContact CB-CD1 4.17Å; W223-I227 HydrophobicContact CE3-CD1 4.39Å; W223-I227 PolarHBondContact O-N 3.38Å; W223-I245 HydrophobicContact CE3-CD1 4.07Å; W223-I245 HydrophobicContact CZ3-CD1 3.9Å; W223-F247 AromaticContact CE3-CZ 3.99Å; W223-F247 HydrophobicContact CE3-CZ 3.99Å; W223-F247 HydrophobicContact CZ3-CE2 4.11Å; W223-F247 AromaticContact CZ3-CZ 3.76Å; W223-F247 HydrophobicContact CZ3-CZ 3.76Å; W223-A262 HydrophobicContact CZ2-CB 3.72Å
224	P	97.9	Very high	96.6	Very high	22 Å²	22	58 Å²	58	14%	0.143	30%	0.296	C	S	.	.	H	α-helix	trans	-52.3	-46	-169	-20.4	14.4	0	0	0	118.2	N169 L173 S220 W226 I227 I228	N169-P224 WeakPolarHBondContact OD1-CA 3.47Å; N169-P224 WeakPolarHBondContact OD1-CB 3.41Å; N169-P224 PolarHBondContact OD1-O 3.23Å; L173-P224 HydrophobicContact CB-CG 4.46Å; L173-P224 HydrophobicContact CD1-CG 3.97Å; S220-P224 VanDerWaalsContact O-CD 3.25Å; S220-P224 WeakPolarHBondContact O-CD 3.45Å; P224-W226 PolarHBondContact O-N 3.06Å; P224-I227 PolarHBondContact O-N 2.94Å; P224-I228 WeakPolarHBondContact O-CB 3.22Å; P224-I228 WeakPolarHBondContact O-CG1 3.45Å; P224-I228 PolarHBondContact O-N 3.14Å
225	P	96.9	Very high	96.4	Very high	64 Å²	64	56.2 Å²	56.2	42%	0.416	30%	0.301	S	S	.	.	H	α-helix	trans	-57.3	-38.2	179.1	-26.3	34.9	0	0	0	112.5	S220 A229	S220-P225 WeakPolarHBondContact O-CD 3.25Å; P225-A229 WeakPolarHBondContact O-CB 3.24Å; P225-A229 PolarHBondContact O-N 3.34Å
226	W	95.8	Very high	96.1	Very high	127 Å²	127	62.7 Å²	62.7	48%	0.481	33%	0.328	S	S	.	.	H	α-helix	trans	-81.2	-38.1	-176.8	-52.1	103	0	0	0	111.9	I221 W223 P224 I228 W230 F247	I221-W226 PolarHBondContact O-NE1 3.14Å; I221-W226 VanDerWaalsContact O-NE1 3.08Å; W223-W226 PolarHBondContact O-N 3.41Å; P224-W226 PolarHBondContact O-N 3.06Å; W226-I228 VanDerWaalsContact C-N 3.28Å; W226-I228 PolarHBondContact O-N 3.1Å; W226-W230 WeakPolarHBondContact O-CB 3.44Å; W226-W230 PolarHBondContact O-N 3.44Å; W226-F247 HydrophobicContact CB-CE1 3.99Å
227	I	96.4	Very high	95.7	Very high	6 Å²	6	65.9 Å²	65.9	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-59.4	-44	174	-66.9	171.7	0	0	0	110.2	L168 W223 P224 P231 I245 F247	L168-I227 HydrophobicContact CB-CD1 4.39Å; L168-I227 HydrophobicContact CB-CG2 4.09Å; W223-I227 HydrophobicContact CB-CD1 4.17Å; W223-I227 HydrophobicContact CE3-CD1 4.39Å; W223-I227 PolarHBondContact O-N 3.38Å; P224-I227 PolarHBondContact O-N 2.94Å; I227-P231 WeakPolarHBondContact O-CD 3.2Å; I227-I245 HydrophobicContact CD1-CD1 3.8Å; I227-I245 HydrophobicContact CD1-CG1 4.44Å; I227-I245 HydrophobicContact CG1-CD1 3.96Å; I227-I245 HydrophobicContact CG1-CG1 4.37Å; I227-I245 HydrophobicContact CG1-CG2 4.49Å; I227-F247 HydrophobicContact CG1-CE1 4.12Å
228	I	96.5	Very high	95.3	Very high	87 Å²	87	64.9 Å²	64.9	45%	0.446	33%	0.334	S	S	.	.	H	α-helix	trans	-74.4	-46.1	-179.2	-64.5	168.7	0	0	0	111.7	P224 W226 Y232	P224-I228 WeakPolarHBondContact O-CB 3.22Å; P224-I228 WeakPolarHBondContact O-CG1 3.45Å; P224-I228 PolarHBondContact O-N 3.14Å; W226-I228 VanDerWaalsContact C-N 3.28Å; W226-I228 PolarHBondContact O-N 3.1Å; I228-Y232 WeakPolarHBondContact O-CD2 3.43Å; I228-Y232 VanDerWaalsContact O-CE2 3.23Å; I228-Y232 WeakPolarHBondContact O-CE2 3.32Å
229	A	96.2	Very high	94.9	Very high	36 Å²	36	64.1 Å²	64.1	30%	0.298	33%	0.332	S	S	.	.	H	α-helix	trans	-78.1	-29.7	-172.4	0	0	0	0	0	113.6	P225 Y232 I233	P225-A229 WeakPolarHBondContact O-CB 3.24Å; P225-A229 PolarHBondContact O-N 3.34Å; A229-Y232 WeakPolarHBondContact O-CB 3.46Å; A229-Y232 PolarHBondContact O-N 2.89Å; A229-Y232 VanDerWaalsContact O-N 3.09Å; A229-I233 HydrophobicContact CB-CD1 4.28Å; A229-I233 WeakPolarHBondContact O-CG1 3.47Å; A229-I233 PolarHBondContact O-N 2.77Å
230	W	96.3	Very high	94.4	Very high	39 Å²	39	70.6 Å²	70.6	15%	0.148	36%	0.362	C	S	.	.	H	α-helix	trans	-60.4	-43.7	-170.6	-163.4	-88.5	0	0	0	115.2	W226 Y232 I233 E234 F247 T250 N251 V254	W226-W230 WeakPolarHBondContact O-CB 3.44Å; W226-W230 PolarHBondContact O-N 3.44Å; W230-Y232 PolarHBondContact O-N 3.48Å; W230-I233 HydrophobicContact CE3-CD1 4.32Å; W230-I233 PolarHBondContact O-N 2.88Å; W230-E234 PolarHBondContact NE1-OE2 2.68Å; W230-E234 PolarHBondContact O-N 2.76Å; W230-F247 HydrophobicContact CB-CD1 4.15Å; W230-F247 HydrophobicContact CD2-CB 3.47Å; W230-F247 VanDerWaalsContact CD2-CB 3.47Å; W230-F247 HydrophobicContact CD2-CD1 4.38Å; W230-F247 HydrophobicContact CD2-CG 4.34Å; W230-F247 HydrophobicContact CE3-CB 4.09Å; W230-F247 HydrophobicContact CG-CB 3.65Å; W230-F247 HydrophobicContact CG-CD1 4.16Å; W230-F247 HydrophobicContact CG-CG 4.41Å; W230-F247 HydrophobicContact CZ2-CB 3.95Å; W230-T250 PolarHBondContact NE1-OG1 3.47Å; W230-N251 HydrophobicContact CZ2-CB 4.1Å; W230-V254 HydrophobicContact CH2-CG2 3.72Å; W230-V254 HydrophobicContact CZ2-CG2 4.4Å; W230-V254 HydrophobicContact CZ3-CG2 4.32Å
231	P	94.7	Very high	94.1	Very high	2 Å²	2	72 Å²	72	1%	0.013	37%	0.367	C	S	.	.	H	α-helix	trans	-56.4	-34.6	175.5	-25.2	35.2	0	0	0	112.9	I227 G235 K236 F237	I227-P231 WeakPolarHBondContact O-CD 3.2Å; P231-G235 PolarHBondContact O-N 3.37Å; P231-K236 PolarHBondContact O-N 2.92Å; P231-F237 HydrophobicContact CB-CD1 3.75Å; P231-F237 HydrophobicContact CB-CE1 3.8Å
232	Y	95.7	Very high	93.8	Very high	155 Å²	155	70.5 Å²	70.5	61%	0.608	36%	0.359	S	S	*	.	H	α-helix	trans	-74.9	-34.1	176	-58.1	-81.4	0	0	0	112.9	I228 A229 W230 G235 F237	I228-Y232 WeakPolarHBondContact O-CD2 3.43Å; I228-Y232 VanDerWaalsContact O-CE2 3.23Å; I228-Y232 WeakPolarHBondContact O-CE2 3.32Å; A229-Y232 WeakPolarHBondContact O-CB 3.46Å; A229-Y232 PolarHBondContact O-N 2.89Å; A229-Y232 VanDerWaalsContact O-N 3.09Å; W230-Y232 PolarHBondContact O-N 3.48Å; Y232-G235 PolarHBondContact O-N 3.38Å; Y232-F237 AromaticContact CD1-CZ 4Å; Y232-F237 HydrophobicContact CD1-CZ 4Å; Y232-F237 HydrophobicContact CE1-CE1 4.24Å; Y232-F237 AromaticContact CE1-CZ 3.78Å; Y232-F237 HydrophobicContact CE1-CZ 3.78Å
233	I	94.2	Very high	93.8	Very high	110 Å²	110	68.8 Å²	68.8	56%	0.564	35%	0.351	S	S	*	.	H	α-helix	trans	-66.3	-41.1	175.4	-65.6	168	0	0	0	110.4	A229 W230	A229-I233 HydrophobicContact CB-CD1 4.28Å; A229-I233 WeakPolarHBondContact O-CG1 3.47Å; A229-I233 PolarHBondContact O-N 2.77Å; W230-I233 HydrophobicContact CE3-CD1 4.32Å; W230-I233 PolarHBondContact O-N 2.88Å
234	E	91.7	Very high	93.5	Very high	74 Å²	74	70.2 Å²	70.2	35%	0.346	36%	0.359	S	S	.	.	H	α-helix	trans	-79.9	-20.3	179.8	-165.5	164.3	178.6	0	0	112.7	W230 K236 Q246 T250	W230-E234 PolarHBondContact NE1-OE2 2.68Å; W230-E234 PolarHBondContact O-N 2.76Å; E234-K236 PolarHBondContact O-N 2.97Å; E234-Q246 VanDerWaalsContact CD-NE2 3.33Å; E234-Q246 WeakPolarHBondContact OE2-CG 3.3Å; E234-Q246 PolarHBondContact OE2-NE2 2.71Å; E234-T250 WeakPolarHBondContact OE1-CB 3.39Å; E234-T250 VanDerWaalsContact OE1-CG2 3.32Å; E234-T250 WeakPolarHBondContact OE1-CG2 3.27Å; E234-T250 WeakPolarHBondContact OE2-CB 3.44Å; E234-T250 WeakPolarHBondContact OE2-CG2 3.39Å; E234-T250 PolarHBondContact OE2-OG1 2.93Å
235	G	92.9	Very high	93.3	Very high	59 Å²	59	69.4 Å²	69.4	61%	0.608	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	13.8	-178.7	0	0	0	0	0	113.8	P231 Y232	P231-G235 PolarHBondContact O-N 3.37Å; Y232-G235 PolarHBondContact O-N 3.38Å
236	K	90.6	Very high	93	Very high	148 Å²	148	67.1 Å²	67.1	64%	0.643	34%	0.337	S	S	*	.			trans	-135.5	136.5	179	-66	-179.8	-177.1	175.1	0	108.9	P231 E234 Q246	P231-K236 PolarHBondContact O-N 2.92Å; E234-K236 PolarHBondContact O-N 2.97Å; K236-Q246 PolarHBondContact O-NE2 3.43Å; K236-Q246 PolarHBondContact O-OE1 2.88Å
237	F	91.6	Very high	92.8	Very high	111 Å²	111	61.1 Å²	61.1	49%	0.487	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-99.9	144.6	174.8	-64.7	-92.1	0	0	0	109.6	Y161 P231 Y232	Y161-F237 HydrophobicContact CE1-CD1 4.37Å; Y161-F237 HydrophobicContact CE1-CE1 4.5Å; Y161-F237 HydrophobicContact CE2-CD1 4.04Å; Y161-F237 AromaticContact CZ-CD1 3.73Å; P231-F237 HydrophobicContact CB-CD1 3.75Å; P231-F237 HydrophobicContact CB-CE1 3.8Å; Y232-F237 AromaticContact CD1-CZ 4Å; Y232-F237 HydrophobicContact CD1-CZ 4Å; Y232-F237 HydrophobicContact CE1-CE1 4.24Å; Y232-F237 AromaticContact CE1-CZ 3.78Å; Y232-F237 HydrophobicContact CE1-CZ 3.78Å
238	I	89.2	Confident	92.5	Very high	43 Å²	43	61.8 Å²	61.8	22%	0.221	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-62.5	152.2	172.1	-159.4	73.4	0	0	0	110.5	L242 I244	I238-L242 HydrophobicContact CG1-CB 4.06Å; I238-L242 HydrophobicContact CG1-CD1 4.49Å; I238-I244 HydrophobicContact CD1-CD1 3.98Å; I238-I244 HydrophobicContact CD1-CG1 4.11Å; I238-I244 HydrophobicContact CG1-CD1 4.47Å; I238-I244 HydrophobicContact CG1-CG1 4.08Å
239	S	88.5	Confident	92.1	Very high	58 Å²	58	61.4 Å²	61.4	41%	0.406	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-54.5	143.2	174.1	-175.1	0	0	0	0	111.3	D241 L242	S239-D241 PolarHBondContact O-N 3.34Å; S239-D241 VanDerWaalsContact O-N 3.16Å; S239-L242 PolarHBondContact O-N 3.44Å; S239-L242 VanDerWaalsContact O-O 3.14Å
240	Q	89.8	Confident	91.8	Very high	136 Å²	136	62.6 Å²	62.6	64%	0.636	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.3	179.3	-67.2	-172.7	-27.4	0	0	113.3	L242	Q240-L242 VanDerWaalsContact C-N 3.28Å; Q240-L242 PolarHBondContact O-N 2.92Å
241	D	90.2	Very high	91.6	Very high	75 Å²	75	62.9 Å²	62.9	40%	0.401	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-6.4	177.6	-52.8	-38.2	0	0	0	113.5	R80 W157 S239	R80-D241 IonicContact NH2-OD2 3.77Å; W157-D241 WeakPolarHBondContact CB-O 3.31Å; W157-D241 PolarHBondContact N-O 2.92Å; S239-D241 PolarHBondContact O-N 3.34Å; S239-D241 VanDerWaalsContact O-N 3.16Å
242	L	91	Very high	91.5	Very high	74 Å²	74	64.5 Å²	64.5	39%	0.387	34%	0.338	S	S	.	.			trans	-119.8	137.8	-178.9	-65.2	175.4	0	0	0	110	I238 S239 Q240	I238-L242 HydrophobicContact CG1-CB 4.06Å; I238-L242 HydrophobicContact CG1-CD1 4.49Å; S239-L242 PolarHBondContact O-N 3.44Å; S239-L242 VanDerWaalsContact O-O 3.14Å; Q240-L242 VanDerWaalsContact C-N 3.28Å; Q240-L242 PolarHBondContact O-N 2.92Å
243	C	94.7	Very high	91.5	Very high	4 Å²	4	65.9 Å²	65.9	3%	0.027	34%	0.343	C	S	.	.			trans	-125.7	87.9	172.1	-172.6	0	0	0	0	110.9	W157 C164 W167	W157-C243 HydrophobicContact CB-CB 3.99Å; W157-C243 HydrophobicContact CD2-CB 3.45Å; W157-C243 VanDerWaalsContact CD2-CB 3.45Å; W157-C243 HydrophobicContact CE3-CB 3.63Å; W157-C243 HydrophobicContact CG-CB 3.61Å; W157-C243 HydrophobicContact CZ3-CB 4.32Å; C164-C243 WeakPolarHBondContact CA-SG 3.47Å; C164-C243 HydrophobicContact CB-CB 3.8Å; C164-C243 WeakPolarHBondContact CB-SG 3.48Å; C164-C243 WeakPolarHBondContact SG-CA 3.22Å; C164-C243 WeakPolarHBondContact SG-CB 3.25Å; C164-C243 CovalentContact SG-SG 2.03Å; C164-C243 PolarHBondContact SG-SG 3.43Å; W167-C243 HydrophobicContact CE3-CB 4.29Å; W167-C243 HydrophobicContact CZ3-CB 4.03Å
244	I	92.3	Very high	91.5	Very high	45 Å²	45	62.6 Å²	62.6	23%	0.231	33%	0.329	C	S	.	.			trans	-135.4	153.8	-179.3	55.6	164.7	0	0	0	109.7	I238 Q246 V249	I238-I244 HydrophobicContact CD1-CD1 3.98Å; I238-I244 HydrophobicContact CD1-CG1 4.11Å; I238-I244 HydrophobicContact CG1-CD1 4.47Å; I238-I244 HydrophobicContact CG1-CG1 4.08Å; I244-Q246 PolarHBondContact O-N 3.27Å; I244-V249 HydrophobicContact CD1-CG2 3.77Å
245	I	93	Very high	91.6	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.026	31%	0.312	C	S	.	.			trans	-71	115.5	171.4	-62.2	-172.2	0	0	0	108.6	L168 Y172 W223 I227 F247 L248	L168-I245 HydrophobicContact CB-CG1 4.44Å; L168-I245 HydrophobicContact CD1-CG1 4.13Å; L168-I245 HydrophobicContact CD2-CG1 4.13Å; L168-I245 HydrophobicContact CG-CG1 4.47Å; Y172-I245 HydrophobicContact CD1-CD1 3.59Å; Y172-I245 HydrophobicContact CD2-CD1 3.56Å; Y172-I245 HydrophobicContact CD2-CG1 4.35Å; Y172-I245 HydrophobicContact CE1-CD1 3.39Å; Y172-I245 HydrophobicContact CE1-CG1 4.47Å; Y172-I245 HydrophobicContact CE2-CD1 3.38Å; Y172-I245 HydrophobicContact CE2-CG1 3.87Å; Y172-I245 HydrophobicContact CG-CD1 3.65Å; W223-I245 HydrophobicContact CE3-CD1 4.07Å; W223-I245 HydrophobicContact CZ3-CD1 3.9Å; I227-I245 HydrophobicContact CD1-CD1 3.8Å; I227-I245 HydrophobicContact CD1-CG1 4.44Å; I227-I245 HydrophobicContact CG1-CD1 3.96Å; I227-I245 HydrophobicContact CG1-CG1 4.37Å; I227-I245 HydrophobicContact CG1-CG2 4.49Å; I245-F247 HydrophobicContact CD1-CZ 4.48Å; I245-F247 HydrophobicContact CG2-CD1 3.33Å; I245-F247 HydrophobicContact CG2-CD2 3.93Å; I245-F247 HydrophobicContact CG2-CE1 3.19Å; I245-F247 HydrophobicContact CG2-CE2 3.8Å; I245-F247 HydrophobicContact CG2-CG 3.72Å; I245-F247 HydrophobicContact CG2-CZ 3.44Å; I245-F247 VanDerWaalsContact CG2-CZ 3.44Å; I245-F247 PolarHBondContact O-N 3.28Å; I245-L248 HydrophobicContact CB-CB 4.32Å; I245-L248 HydrophobicContact CB-CD1 3.84Å; I245-L248 HydrophobicContact CB-CG 3.83Å; I245-L248 HydrophobicContact CD1-CD1 4.11Å; I245-L248 HydrophobicContact CG1-CD1 4.34Å; I245-L248 HydrophobicContact CG2-CB 4.45Å; I245-L248 HydrophobicContact CG2-CD1 4.28Å; I245-L248 HydrophobicContact CG2-CG 3.81Å; I245-L248 WeakPolarHBondContact O-CB 3.41Å; I245-L248 PolarHBondContact O-N 3.2Å; I245-L248 VanDerWaalsContact O-N 3.09Å
246	Q	92.1	Very high	91.7	Very high	15 Å²	15	59.7 Å²	59.7	7%	0.07	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-47.2	-175.3	-175.4	168.6	-21.6	0	0	113.2	E234 K236 I244 L248 V249 T250	E234-Q246 VanDerWaalsContact CD-NE2 3.33Å; E234-Q246 WeakPolarHBondContact OE2-CG 3.3Å; E234-Q246 PolarHBondContact OE2-NE2 2.71Å; K236-Q246 PolarHBondContact O-NE2 3.43Å; K236-Q246 PolarHBondContact O-OE1 2.88Å; I244-Q246 PolarHBondContact O-N 3.27Å; Q246-L248 PolarHBondContact O-N 3.25Å; Q246-L248 VanDerWaalsContact O-N 3.17Å; Q246-V249 PolarHBondContact O-N 3.02Å; Q246-T250 HydrophobicContact CG-CG2 3.9Å; Q246-T250 WeakPolarHBondContact O-CG2 3.28Å; Q246-T250 PolarHBondContact O-N 3.41Å; Q246-T250 PolarHBondContact O-OG1 3.3Å
247	F	91.8	Very high	91.9	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-66.1	-19	-179	67.1	-107	0	0	0	114.4	W223 W226 I227 W230 I245 V249 N251 V254 T255 T258	W223-F247 AromaticContact CE3-CZ 3.99Å; W223-F247 HydrophobicContact CE3-CZ 3.99Å; W223-F247 HydrophobicContact CZ3-CE2 4.11Å; W223-F247 AromaticContact CZ3-CZ 3.76Å; W223-F247 HydrophobicContact CZ3-CZ 3.76Å; W226-F247 HydrophobicContact CB-CE1 3.99Å; I227-F247 HydrophobicContact CG1-CE1 4.12Å; W230-F247 HydrophobicContact CB-CD1 4.15Å; W230-F247 HydrophobicContact CD2-CB 3.47Å; W230-F247 VanDerWaalsContact CD2-CB 3.47Å; W230-F247 HydrophobicContact CD2-CD1 4.38Å; W230-F247 HydrophobicContact CD2-CG 4.34Å; W230-F247 HydrophobicContact CE3-CB 4.09Å; W230-F247 HydrophobicContact CG-CB 3.65Å; W230-F247 HydrophobicContact CG-CD1 4.16Å; W230-F247 HydrophobicContact CG-CG 4.41Å; W230-F247 HydrophobicContact CZ2-CB 3.95Å; I245-F247 HydrophobicContact CD1-CZ 4.48Å; I245-F247 HydrophobicContact CG2-CD1 3.33Å; I245-F247 HydrophobicContact CG2-CD2 3.93Å; I245-F247 HydrophobicContact CG2-CE1 3.19Å; I245-F247 HydrophobicContact CG2-CE2 3.8Å; I245-F247 HydrophobicContact CG2-CG 3.72Å; I245-F247 HydrophobicContact CG2-CZ 3.44Å; I245-F247 VanDerWaalsContact CG2-CZ 3.44Å; I245-F247 PolarHBondContact O-N 3.28Å; F247-V249 PolarHBondContact O-N 3.44Å; F247-N251 PolarHBondContact O-N 2.94Å; F247-V254 HydrophobicContact CB-CG1 4.24Å; F247-V254 HydrophobicContact CD2-CG1 3.62Å; F247-V254 HydrophobicContact CE2-CG1 4.24Å; F247-V254 HydrophobicContact CG-CG1 4.14Å; F247-T255 PolarHBondContact O-OG1 3.21Å; F247-T258 HydrophobicContact CE2-CG2 3.96Å
248	L	90.1	Very high	92.1	Very high	19 Å²	19	50.2 Å²	50.2	10%	0.099	27%	0.272	C	S	.	.	H	α-helix	trans	-72.6	-18.4	175.2	-66.3	-175.7	0	0	0	112.5	Y172 I245 Q246 T255 V604	Y172-L248 HydrophobicContact CE1-CD1 4.13Å; I245-L248 HydrophobicContact CB-CB 4.32Å; I245-L248 HydrophobicContact CB-CD1 3.84Å; I245-L248 HydrophobicContact CB-CG 3.83Å; I245-L248 HydrophobicContact CD1-CD1 4.11Å; I245-L248 HydrophobicContact CG1-CD1 4.34Å; I245-L248 HydrophobicContact CG2-CB 4.45Å; I245-L248 HydrophobicContact CG2-CD1 4.28Å; I245-L248 HydrophobicContact CG2-CG 3.81Å; I245-L248 WeakPolarHBondContact O-CB 3.41Å; I245-L248 PolarHBondContact O-N 3.2Å; I245-L248 VanDerWaalsContact O-N 3.09Å; Q246-L248 PolarHBondContact O-N 3.25Å; Q246-L248 VanDerWaalsContact O-N 3.17Å; L248-T255 VanDerWaalsContact C-OG1 3.28Å; L248-T255 WeakPolarHBondContact CA-OG1 3.39Å; L248-T255 HydrophobicContact CD2-CG2 3.9Å; L248-T255 PolarHBondContact O-OG1 2.85Å; L248-V604 HydrophobicContact CD1-CG1 4.5Å
249	V	87.3	Confident	92.4	Very high	80 Å²	80	48.5 Å²	48.5	49%	0.485	26%	0.264	S	S	.	.	H	α-helix	trans	-110.1	-38	179.6	179.4	0	0	0	0	111.3	I244 Q246 F247	I244-V249 HydrophobicContact CD1-CG2 3.77Å; Q246-V249 PolarHBondContact O-N 3.02Å; F247-V249 PolarHBondContact O-N 3.44Å
250	T	89.3	Confident	92.7	Very high	60 Å²	60	48.8 Å²	48.8	37%	0.368	26%	0.263	S	S	.	.	H	α-helix	trans	-82	-19.7	-174.2	63.8	0	0	0	0	113.6	W230 E234 Q246	W230-T250 PolarHBondContact NE1-OG1 3.47Å; E234-T250 WeakPolarHBondContact OE1-CB 3.39Å; E234-T250 VanDerWaalsContact OE1-CG2 3.32Å; E234-T250 WeakPolarHBondContact OE1-CG2 3.27Å; E234-T250 WeakPolarHBondContact OE2-CB 3.44Å; E234-T250 WeakPolarHBondContact OE2-CG2 3.39Å; E234-T250 PolarHBondContact OE2-OG1 2.93Å; Q246-T250 HydrophobicContact CG-CG2 3.9Å; Q246-T250 WeakPolarHBondContact O-CG2 3.28Å; Q246-T250 PolarHBondContact O-N 3.41Å; Q246-T250 PolarHBondContact O-OG1 3.3Å
251	N	92.3	Very high	93	Very high	46 Å²	46	44.2 Å²	44.2	25%	0.246	25%	0.249	C	C	.	.			trans	-139.2	105.4	-179.8	-165.9	-48.7	0	0	0	113.2	W230 F247 Y253 V254 T255	W230-N251 HydrophobicContact CZ2-CB 4.1Å; F247-N251 PolarHBondContact O-N 2.94Å; N251-Y253 VanDerWaalsContact C-N 3.28Å; N251-Y253 PolarHBondContact O-N 3.09Å; N251-Y253 WeakPolarHBondContact OD1-CB 3.24Å; N251-Y253 PolarHBondContact OD1-N 3.41Å; N251-V254 HydrophobicContact CB-CB 4.12Å; N251-V254 HydrophobicContact CB-CG2 4.04Å; N251-V254 PolarHBondContact O-N 3.42Å; N251-V254 PolarHBondContact OD1-N 2.88Å; N251-V254 VanDerWaalsContact OD1-N 3.1Å; N251-T255 PolarHBondContact O-N 3.29Å; N251-T255 PolarHBondContact O-OG1 2.98Å
252	P	93.5	Very high	93.2	Very high	36 Å²	36	41.1 Å²	41.1	23%	0.234	23%	0.234	C	C	.	.	H	α-helix	trans	-64.5	-30.1	-179.1	22.6	-32.2	0	0	0	113.7	T255 M256 A608 F609	P252-T255 WeakPolarHBondContact O-CB 3.35Å; P252-T255 PolarHBondContact O-N 3.49Å; P252-M256 WeakPolarHBondContact O-CB 3.47Å; P252-M256 PolarHBondContact O-N 2.9Å; P252-A608 HydrophobicContact CB-CB 4.26Å; P252-F609 HydrophobicContact CB-CD1 4.2Å; P252-F609 HydrophobicContact CB-CE1 4Å; P252-F609 HydrophobicContact CB-CZ 4.23Å
253	Y	94.5	Very high	93.4	Very high	183 Å²	183	37.8 Å²	37.8	72%	0.718	22%	0.216	S	C	*	.	H	α-helix	trans	-71.9	-40.4	-179.6	-55.1	-69.3	0	0	0	111.9	N251 M256 G257	N251-Y253 VanDerWaalsContact C-N 3.28Å; N251-Y253 PolarHBondContact O-N 3.09Å; N251-Y253 WeakPolarHBondContact OD1-CB 3.24Å; N251-Y253 PolarHBondContact OD1-N 3.41Å; Y253-M256 PolarHBondContact O-N 3.17Å; Y253-G257 PolarHBondContact O-N 3.49Å
254	V	94.6	Very high	93.5	Very high	42 Å²	42	40.8 Å²	40.8	26%	0.255	23%	0.227	S	C	.	.	H	α-helix	trans	-67.5	-40.6	174.4	178.4	0	0	0	0	110.3	W230 F247 N251 G257 T258	W230-V254 HydrophobicContact CH2-CG2 3.72Å; W230-V254 HydrophobicContact CZ2-CG2 4.4Å; W230-V254 HydrophobicContact CZ3-CG2 4.32Å; F247-V254 HydrophobicContact CB-CG1 4.24Å; F247-V254 HydrophobicContact CD2-CG1 3.62Å; F247-V254 HydrophobicContact CE2-CG1 4.24Å; F247-V254 HydrophobicContact CG-CG1 4.14Å; N251-V254 HydrophobicContact CB-CB 4.12Å; N251-V254 HydrophobicContact CB-CG2 4.04Å; N251-V254 PolarHBondContact O-N 3.42Å; N251-V254 PolarHBondContact OD1-N 2.88Å; N251-V254 VanDerWaalsContact OD1-N 3.1Å; V254-G257 PolarHBondContact O-N 3.09Å; V254-T258 HydrophobicContact CG1-CG2 4.32Å; V254-T258 WeakPolarHBondContact O-CB 3.39Å; V254-T258 WeakPolarHBondContact O-CG2 3.22Å; V254-T258 PolarHBondContact O-N 2.85Å; V254-T258 PolarHBondContact O-OG1 2.92Å
255	T	93.5	Very high	93.6	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-57.4	-50	173.5	-53.7	0	0	0	0	111.8	F247 L248 N251 P252 G257 T258 A259 V604 L605 A608	F247-T255 PolarHBondContact O-OG1 3.21Å; L248-T255 VanDerWaalsContact C-OG1 3.28Å; L248-T255 WeakPolarHBondContact CA-OG1 3.39Å; L248-T255 HydrophobicContact CD2-CG2 3.9Å; L248-T255 PolarHBondContact O-OG1 2.85Å; N251-T255 PolarHBondContact O-N 3.29Å; N251-T255 PolarHBondContact O-OG1 2.98Å; P252-T255 WeakPolarHBondContact O-CB 3.35Å; P252-T255 PolarHBondContact O-N 3.49Å; T255-G257 PolarHBondContact O-N 3.35Å; T255-T258 PolarHBondContact O-N 3.24Å; T255-T258 PolarHBondContact O-OG1 3.07Å; T255-T258 VanDerWaalsContact O-OG1 3.04Å; T255-A259 VanDerWaalsContact O-CB 3.26Å; T255-A259 WeakPolarHBondContact O-CB 3.33Å; T255-A259 PolarHBondContact O-N 3.43Å; T255-V604 HydrophobicContact CG2-CG1 3.61Å; T255-L605 HydrophobicContact CG2-CD2 4.49Å; T255-A608 HydrophobicContact CG2-CB 3.66Å
256	M	95.4	Very high	93.8	Very high	70 Å²	70	43 Å²	43	35%	0.345	24%	0.24	S	C	.	.	H	α-helix	trans	-59.9	-47.8	175.4	-178.7	65.1	84.4	0	0	111.6	P252 Y253 T258 A259 V260 L605 F609	P252-M256 WeakPolarHBondContact O-CB 3.47Å; P252-M256 PolarHBondContact O-N 2.9Å; Y253-M256 PolarHBondContact O-N 3.17Å; M256-T258 PolarHBondContact O-N 3.39Å; M256-A259 PolarHBondContact O-N 2.99Å; M256-V260 WeakPolarHBondContact O-CB 3.42Å; M256-V260 VanDerWaalsContact O-CG2 3.29Å; M256-V260 WeakPolarHBondContact O-CG2 3.35Å; M256-V260 PolarHBondContact O-N 2.91Å; M256-V260 HydrophobicContact SD-CG2 4.25Å; M256-L605 HydrophobicContact CB-CD2 4.31Å; M256-L605 HydrophobicContact CE-CD1 4.34Å; M256-L605 HydrophobicContact CE-CD2 4.05Å; M256-L605 HydrophobicContact SD-CD1 4.08Å; M256-L605 HydrophobicContact SD-CD2 3.7Å; M256-F609 HydrophobicContact CE-CE2 3.51Å; M256-F609 HydrophobicContact CE-CZ 3.8Å
257	G	95.6	Very high	93.9	Very high	41 Å²	41	43.1 Å²	43.1	42%	0.423	24%	0.241	S	C	.	.	H	α-helix	trans	-59.6	-45.4	-179.4	0	0	0	0	0	112.9	Y253 V254 T255 V260 A261	Y253-G257 PolarHBondContact O-N 3.49Å; V254-G257 PolarHBondContact O-N 3.09Å; T255-G257 PolarHBondContact O-N 3.35Å; G257-V260 PolarHBondContact O-N 2.98Å; G257-A261 WeakPolarHBondContact O-CB 3.4Å; G257-A261 PolarHBondContact O-N 2.94Å
258	T	95.2	Very high	94.1	Very high	19 Å²	19	46.8 Å²	46.8	12%	0.117	26%	0.263	C	S	.	.	H	α-helix	trans	-69.9	-40.5	178.1	52.4	0	0	0	0	112.3	F247 V254 T255 M256 V260 A261 A262	F247-T258 HydrophobicContact CE2-CG2 3.96Å; V254-T258 HydrophobicContact CG1-CG2 4.32Å; V254-T258 WeakPolarHBondContact O-CB 3.39Å; V254-T258 WeakPolarHBondContact O-CG2 3.22Å; V254-T258 PolarHBondContact O-N 2.85Å; V254-T258 PolarHBondContact O-OG1 2.92Å; T255-T258 PolarHBondContact O-N 3.24Å; T255-T258 PolarHBondContact O-OG1 3.07Å; T255-T258 VanDerWaalsContact O-OG1 3.04Å; M256-T258 PolarHBondContact O-N 3.39Å; T258-V260 VanDerWaalsContact C-N 3.32Å; T258-V260 PolarHBondContact O-N 2.87Å; T258-A261 PolarHBondContact O-N 3.01Å; T258-A262 WeakPolarHBondContact O-CB 3.48Å; T258-A262 PolarHBondContact O-N 3.23Å
259	A	95	Very high	94.5	Very high	8 Å²	8	49.1 Å²	49.1	7%	0.066	28%	0.275	C	S	.	.	H	α-helix	trans	-60.8	-41.7	173.6	0	0	0	0	0	111.6	T255 M256 F263 Y264 L605	T255-A259 VanDerWaalsContact O-CB 3.26Å; T255-A259 WeakPolarHBondContact O-CB 3.33Å; T255-A259 PolarHBondContact O-N 3.43Å; M256-A259 PolarHBondContact O-N 2.99Å; A259-F263 WeakPolarHBondContact O-CB 3.36Å; A259-F263 PolarHBondContact O-N 3.5Å; A259-Y264 HydrophobicContact CB-CD2 4.33Å; A259-Y264 HydrophobicContact CB-CE2 4.1Å; A259-Y264 WeakPolarHBondContact O-CD2 3.14Å; A259-Y264 PolarHBondContact O-N 3.39Å; A259-L605 HydrophobicContact CB-CD2 4Å; A259-L605 HydrophobicContact CB-CG 4.43Å
260	V	96	Very high	94.8	Very high	63 Å²	63	45.4 Å²	45.4	38%	0.382	25%	0.252	S	S	.	.	I	π-helix	trans	-62.8	-49	174.8	170.6	0	0	0	0	111.1	M256 G257 T258 Y264 L265	M256-V260 WeakPolarHBondContact O-CB 3.42Å; M256-V260 VanDerWaalsContact O-CG2 3.29Å; M256-V260 WeakPolarHBondContact O-CG2 3.35Å; M256-V260 PolarHBondContact O-N 2.91Å; M256-V260 HydrophobicContact SD-CG2 4.25Å; G257-V260 PolarHBondContact O-N 2.98Å; T258-V260 VanDerWaalsContact C-N 3.32Å; T258-V260 PolarHBondContact O-N 2.87Å; V260-Y264 HydrophobicContact CG2-CD2 4.34Å; V260-Y264 PolarHBondContact O-N 3.15Å; V260-L265 WeakPolarHBondContact O-CB 3.28Å; V260-L265 PolarHBondContact O-N 3.37Å
261	A	95.6	Very high	95.1	Very high	40 Å²	40	45.2 Å²	45.2	33%	0.331	25%	0.251	S	S	.	.	I	π-helix	trans	-65.4	-42.5	-178.3	0	0	0	0	0	113.1	L222 G257 T258 P266	L222-A261 HydrophobicContact CD1-CB 4.32Å; L222-A261 HydrophobicContact CD2-CB 4.39Å; G257-A261 WeakPolarHBondContact O-CB 3.4Å; G257-A261 PolarHBondContact O-N 2.94Å; T258-A261 PolarHBondContact O-N 3.01Å; A261-P266 WeakPolarHBondContact O-CD 3.41Å
262	A	94.7	Very high	95.3	Very high	11 Å²	11	47.2 Å²	47.2	9%	0.091	26%	0.261	C	S	.	.	I	π-helix	trans	-83.2	-31.7	-173.9	0	0	0	0	0	113.6	N176 L222 W223 T258	N176-A262 WeakPolarHBondContact OD1-CB 3.45Å; L222-A262 HydrophobicContact CD2-CB 4.23Å; W223-A262 HydrophobicContact CZ2-CB 3.72Å; T258-A262 WeakPolarHBondContact O-CB 3.48Å; T258-A262 PolarHBondContact O-N 3.23Å
263	F	94.8	Very high	95.3	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.018	25%	0.253	C	S	.	.	I	π-helix	trans	-125.5	-61.9	-173	177.3	-109.6	0	0	0	114	A259 L265 P266 I267 F593 W597 T598 N601	A259-F263 WeakPolarHBondContact O-CB 3.36Å; A259-F263 PolarHBondContact O-N 3.5Å; F263-L265 PolarHBondContact O-N 3.49Å; F263-P266 WeakPolarHBondContact O-CD 3.36Å; F263-I267 HydrophobicContact CE1-CD1 4.45Å; F263-I267 HydrophobicContact CE2-CD1 3.91Å; F263-I267 HydrophobicContact CZ-CD1 3.63Å; F263-I267 WeakPolarHBondContact O-CB 3.48Å; F263-I267 WeakPolarHBondContact O-CG2 3.46Å; F263-I267 PolarHBondContact O-N 3.05Å; F263-F593 HydrophobicContact CD2-CE1 4.18Å; F263-F593 AromaticContact CD2-CZ 3.89Å; F263-F593 HydrophobicContact CD2-CZ 3.89Å; F263-F593 AromaticContact CE2-CE1 3.84Å; F263-F593 HydrophobicContact CE2-CE1 3.84Å; F263-F593 AromaticContact CE2-CZ 3.94Å; F263-F593 HydrophobicContact CE2-CZ 3.94Å; F263-W597 HydrophobicContact CD2-CB 3.79Å; F263-W597 HydrophobicContact CD2-CG 4.42Å; F263-W597 HydrophobicContact CE2-CB 3.33Å; F263-W597 HydrophobicContact CE2-CG 4.29Å; F263-W597 HydrophobicContact CZ-CB 4.09Å; F263-T598 WeakPolarHBondContact CZ-OG1 3.39Å; F263-N601 VanDerWaalsContact CB-OD1 3.29Å; F263-N601 WeakPolarHBondContact CB-OD1 3.2Å; F263-N601 HydrophobicContact CD1-CB 3.71Å; F263-N601 VanDerWaalsContact CD1-CG 3.45Å; F263-N601 HydrophobicContact CE1-CB 4.06Å; F263-N601 HydrophobicContact CG-CB 4.29Å; F263-N601 WeakPolarHBondContact CG-ND2 3.43Å
264	Y	96	Very high	95.2	Very high	66 Å²	66	38.3 Å²	38.3	26%	0.259	22%	0.222	S	C	.	.	I	π-helix	trans	-67.4	-33.7	-169.1	-64.2	-79.9	0	0	0	113.9	A259 V260 I267 T268 N601 L605	A259-Y264 HydrophobicContact CB-CD2 4.33Å; A259-Y264 HydrophobicContact CB-CE2 4.1Å; A259-Y264 WeakPolarHBondContact O-CD2 3.14Å; A259-Y264 PolarHBondContact O-N 3.39Å; V260-Y264 HydrophobicContact CG2-CD2 4.34Å; V260-Y264 PolarHBondContact O-N 3.15Å; Y264-I267 VanDerWaalsContact O-CG2 3.25Å; Y264-I267 WeakPolarHBondContact O-CG2 3.21Å; Y264-T268 VanDerWaalsContact O-CB 3.28Å; Y264-T268 WeakPolarHBondContact O-CB 3.18Å; Y264-T268 PolarHBondContact O-N 3.46Å; Y264-T268 PolarHBondContact O-OG1 2.83Å; Y264-N601 HydrophobicContact CE2-CB 4.32Å; Y264-L605 HydrophobicContact CE2-CD1 3.68Å; Y264-L605 WeakPolarHBondContact OH-CD1 3.36Å
265	L	96.1	Very high	95.1	Very high	94 Å²	94	39 Å²	39	49%	0.492	23%	0.227	S	C	.	.	H	α-helix	trans	-71.3	-53.5	175.1	175.5	70.6	0	0	0	111.2	V260 F263 I267 T268 I269	V260-L265 WeakPolarHBondContact O-CB 3.28Å; V260-L265 PolarHBondContact O-N 3.37Å; F263-L265 PolarHBondContact O-N 3.49Å; L265-I267 PolarHBondContact O-N 3.43Å; L265-T268 PolarHBondContact O-N 3.46Å; L265-I269 HydrophobicContact CD1-CD1 3.89Å; L265-I269 HydrophobicContact CD1-CG1 4.32Å; L265-I269 HydrophobicContact CG-CD1 3.94Å; L265-I269 WeakPolarHBondContact O-CG1 3.46Å; L265-I269 PolarHBondContact O-N 3.01Å; L265-I269 VanDerWaalsContact O-N 3.08Å
266	P	95.9	Very high	95	Very high	4 Å²	4	44 Å²	44	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-53.7	-47.4	175.4	-30.3	35.9	0	0	0	114.4	V179 L183 A261 F263 T268 I269 M270	V179-P266 HydrophobicContact CG1-CB 3.92Å; V179-P266 HydrophobicContact CG1-CG 4.31Å; L183-P266 HydrophobicContact CD2-CB 4.36Å; A261-P266 WeakPolarHBondContact O-CD 3.41Å; F263-P266 WeakPolarHBondContact O-CD 3.36Å; P266-T268 VanDerWaalsContact C-N 3.35Å; P266-T268 PolarHBondContact O-N 3.38Å; P266-I269 PolarHBondContact O-N 3.14Å; P266-M270 WeakPolarHBondContact O-CB 3.34Å; P266-M270 VanDerWaalsContact O-CG 3.24Å; P266-M270 WeakPolarHBondContact O-CG 3.44Å; P266-M270 PolarHBondContact O-N 3.09Å
267	I	95	Very high	94.8	Very high	17 Å²	17	41 Å²	41	9%	0.087	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-41.3	-179.3	-167.7	171.5	0	0	0	111.7	F263 Y264 L265 I269 M270 V271 F593 I594	F263-I267 HydrophobicContact CE1-CD1 4.45Å; F263-I267 HydrophobicContact CE2-CD1 3.91Å; F263-I267 HydrophobicContact CZ-CD1 3.63Å; F263-I267 WeakPolarHBondContact O-CB 3.48Å; F263-I267 WeakPolarHBondContact O-CG2 3.46Å; F263-I267 PolarHBondContact O-N 3.05Å; Y264-I267 VanDerWaalsContact O-CG2 3.25Å; Y264-I267 WeakPolarHBondContact O-CG2 3.21Å; L265-I267 PolarHBondContact O-N 3.43Å; I267-I269 PolarHBondContact O-N 3.04Å; I267-M270 PolarHBondContact O-N 2.89Å; I267-V271 HydrophobicContact CG1-CG2 4.38Å; I267-V271 WeakPolarHBondContact O-CB 3.33Å; I267-V271 VanDerWaalsContact O-CG2 3.28Å; I267-V271 WeakPolarHBondContact O-CG2 3.43Å; I267-V271 PolarHBondContact O-N 3.19Å; I267-F593 HydrophobicContact CB-CE1 4.07Å; I267-F593 HydrophobicContact CD1-CD1 4.49Å; I267-F593 HydrophobicContact CD1-CE1 4.28Å; I267-F593 HydrophobicContact CG1-CD1 4.47Å; I267-F593 HydrophobicContact CG1-CE1 4.17Å; I267-I594 HydrophobicContact CD1-CB 3.99Å; I267-I594 HydrophobicContact CD1-CD1 3.84Å; I267-I594 HydrophobicContact CD1-CG1 3.49Å; I267-I594 VanDerWaalsContact CD1-CG1 3.49Å; I267-I594 HydrophobicContact CD1-CG2 3.89Å; I267-I594 HydrophobicContact CG1-CD1 4.12Å; I267-I594 HydrophobicContact CG1-CG1 4.03Å
268	T	96.4	Very high	94.5	Very high	78 Å²	78	46.1 Å²	46.1	48%	0.479	24%	0.241	S	C	.	.	H	α-helix	trans	-63.5	-45.4	179.1	-61.8	0	0	0	0	110.6	Y264 L265 P266 M270 V271 I272	Y264-T268 VanDerWaalsContact O-CB 3.28Å; Y264-T268 WeakPolarHBondContact O-CB 3.18Å; Y264-T268 PolarHBondContact O-N 3.46Å; Y264-T268 PolarHBondContact O-OG1 2.83Å; L265-T268 PolarHBondContact O-N 3.46Å; P266-T268 VanDerWaalsContact C-N 3.35Å; P266-T268 PolarHBondContact O-N 3.38Å; T268-M270 PolarHBondContact O-N 2.96Å; T268-V271 PolarHBondContact O-N 3.48Å; T268-I272 HydrophobicContact CG2-CD1 4.03Å; T268-I272 VanDerWaalsContact O-CG1 3.3Å; T268-I272 WeakPolarHBondContact O-CG1 3.38Å; T268-I272 PolarHBondContact O-N 3.42Å
269	I	97.1	Very high	94.3	Very high	68 Å²	68	52.9 Å²	52.9	35%	0.349	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-45.3	176.2	-63.4	168.1	0	0	0	110.3	L183 L265 P266 I267 I272 M273	L183-I269 HydrophobicContact CD1-CB 4.06Å; L183-I269 HydrophobicContact CD1-CG2 3.73Å; L265-I269 HydrophobicContact CD1-CD1 3.89Å; L265-I269 HydrophobicContact CD1-CG1 4.32Å; L265-I269 HydrophobicContact CG-CD1 3.94Å; L265-I269 WeakPolarHBondContact O-CG1 3.46Å; L265-I269 PolarHBondContact O-N 3.01Å; L265-I269 VanDerWaalsContact O-N 3.08Å; P266-I269 PolarHBondContact O-N 3.14Å; I267-I269 PolarHBondContact O-N 3.04Å; I269-I272 PolarHBondContact O-N 3.02Å; I269-M273 HydrophobicContact CG2-CE 3.95Å; I269-M273 HydrophobicContact CG2-SD 4.33Å; I269-M273 VanDerWaalsContact O-CG 3.32Å; I269-M273 WeakPolarHBondContact O-CG 3.47Å; I269-M273 PolarHBondContact O-N 2.95Å
270	M	94.8	Very high	93.9	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-49.1	177.3	-71.5	170.5	72.4	0	0	111.8	L182 L183 P266 I267 T268 I272 M273 Y274 L590	L182-M270 HydrophobicContact CB-CE 3.85Å; L182-M270 HydrophobicContact CB-SD 4.48Å; L183-M270 HydrophobicContact CB-CG 4.29Å; L183-M270 HydrophobicContact CB-SD 4.25Å; L183-M270 HydrophobicContact CD1-CG 3.63Å; P266-M270 WeakPolarHBondContact O-CB 3.34Å; P266-M270 VanDerWaalsContact O-CG 3.24Å; P266-M270 WeakPolarHBondContact O-CG 3.44Å; P266-M270 PolarHBondContact O-N 3.09Å; I267-M270 PolarHBondContact O-N 2.89Å; T268-M270 PolarHBondContact O-N 2.96Å; M270-I272 PolarHBondContact O-N 2.91Å; M270-M273 HydrophobicContact CG-CE 4.4Å; M270-M273 PolarHBondContact O-N 3.09Å; M270-Y274 WeakPolarHBondContact O-CD2 3.46Å; M270-Y274 PolarHBondContact O-N 2.84Å; M270-L590 HydrophobicContact CB-CD1 3.83Å; M270-L590 HydrophobicContact CE-CD1 3.75Å
271	V	95.3	Very high	93.6	Very high	56 Å²	56	52 Å²	52	34%	0.339	26%	0.256	S	S	.	.	H	α-helix	trans	-58	-49.2	179.2	170	0	0	0	0	110.7	I267 T268 M273 Y274 T275 L590 I594	I267-V271 HydrophobicContact CG1-CG2 4.38Å; I267-V271 WeakPolarHBondContact O-CB 3.33Å; I267-V271 VanDerWaalsContact O-CG2 3.28Å; I267-V271 WeakPolarHBondContact O-CG2 3.43Å; I267-V271 PolarHBondContact O-N 3.19Å; T268-V271 PolarHBondContact O-N 3.48Å; V271-M273 VanDerWaalsContact C-N 3.33Å; V271-M273 PolarHBondContact O-N 3.43Å; V271-Y274 PolarHBondContact O-N 3.46Å; V271-T275 PolarHBondContact O-N 3.22Å; V271-T275 PolarHBondContact O-OG1 3.02Å; V271-L590 HydrophobicContact CG2-CD2 4.28Å; V271-I594 HydrophobicContact CG2-CD1 4.13Å
272	I	95.7	Very high	93.2	Very high	88 Å²	88	55.3 Å²	55.3	45%	0.451	26%	0.263	S	S	.	.	H	α-helix	trans	-57.3	-46.7	177.6	-68	167	0	0	0	111.1	T268 I269 M270 Y274 T275 K276	T268-I272 HydrophobicContact CG2-CD1 4.03Å; T268-I272 VanDerWaalsContact O-CG1 3.3Å; T268-I272 WeakPolarHBondContact O-CG1 3.38Å; T268-I272 PolarHBondContact O-N 3.42Å; I269-I272 PolarHBondContact O-N 3.02Å; M270-I272 PolarHBondContact O-N 2.91Å; I272-Y274 PolarHBondContact O-N 2.99Å; I272-T275 PolarHBondContact O-N 3.5Å; I272-K276 HydrophobicContact CG2-CD 4.44Å; I272-K276 WeakPolarHBondContact O-CG 3.5Å; I272-K276 PolarHBondContact O-N 3.38Å
273	M	94.4	Very high	92.9	Very high	16 Å²	16	60.5 Å²	60.5	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-44.3	178.4	-73.2	-170.3	-58.9	0	0	111.8	L183 F190 I269 M270 V271 K276 I277	L183-M273 HydrophobicContact CD1-CE 3.71Å; F190-M273 HydrophobicContact CB-CB 4.27Å; F190-M273 HydrophobicContact CB-CG 4.3Å; F190-M273 HydrophobicContact CB-SD 4.03Å; F190-M273 HydrophobicContact CD2-CB 4.27Å; F190-M273 HydrophobicContact CD2-CG 4.38Å; F190-M273 HydrophobicContact CG-CB 4.35Å; F190-M273 HydrophobicContact CG-CG 4.16Å; F190-M273 HydrophobicContact CG-SD 4.32Å; I269-M273 HydrophobicContact CG2-CE 3.95Å; I269-M273 HydrophobicContact CG2-SD 4.33Å; I269-M273 VanDerWaalsContact O-CG 3.32Å; I269-M273 WeakPolarHBondContact O-CG 3.47Å; I269-M273 PolarHBondContact O-N 2.95Å; M270-M273 HydrophobicContact CG-CE 4.4Å; M270-M273 PolarHBondContact O-N 3.09Å; V271-M273 VanDerWaalsContact C-N 3.33Å; V271-M273 PolarHBondContact O-N 3.43Å; M273-K276 PolarHBondContact O-N 3.39Å; M273-I277 VanDerWaalsContact O-CG1 3.29Å; M273-I277 WeakPolarHBondContact O-CG1 3.15Å; M273-I277 PolarHBondContact O-N 2.92Å
274	Y	91.7	Very high	92.5	Very high	16 Å²	16	63.2 Å²	63.2	6%	0.063	30%	0.296	C	S	.	.	H	α-helix	trans	-68.8	-38.6	179.7	-81.9	-66.2	0	0	0	113.2	S186 M270 V271 I272 K276 I277 Y278 L586 L590	S186-Y274 WeakPolarHBondContact OG-CE2 3.41Å; S186-Y274 PolarHBondContact OG-OH 3.39Å; M270-Y274 WeakPolarHBondContact O-CD2 3.46Å; M270-Y274 PolarHBondContact O-N 2.84Å; V271-Y274 PolarHBondContact O-N 3.46Å; I272-Y274 PolarHBondContact O-N 2.99Å; Y274-K276 VanDerWaalsContact C-N 3.28Å; Y274-K276 PolarHBondContact O-N 3.46Å; Y274-I277 HydrophobicContact CD1-CD1 4.05Å; Y274-I277 HydrophobicContact CE1-CD1 4.2Å; Y274-I277 PolarHBondContact O-N 2.96Å; Y274-Y278 WeakPolarHBondContact O-CB 3.43Å; Y274-Y278 PolarHBondContact O-N 3.23Å; Y274-L586 HydrophobicContact CD1-CB 4.47Å; Y274-L586 HydrophobicContact CE1-CB 3.41Å; Y274-L586 VanDerWaalsContact CE1-CB 3.41Å; Y274-L586 HydrophobicContact CE1-CD1 4.05Å; Y274-L586 HydrophobicContact CE1-CG 4.29Å; Y274-L586 WeakPolarHBondContact OH-CB 3.35Å; Y274-L590 HydrophobicContact CD2-CB 4.37Å; Y274-L590 HydrophobicContact CD2-CD1 4.31Å; Y274-L590 HydrophobicContact CD2-CD2 3.6Å; Y274-L590 HydrophobicContact CD2-CG 4.32Å; Y274-L590 HydrophobicContact CE2-CB 4.29Å; Y274-L590 HydrophobicContact CE2-CD1 4.43Å; Y274-L590 HydrophobicContact CE2-CD2 4.31Å; Y274-L590 HydrophobicContact CG-CD2 4.1Å
275	T	92.3	Very high	92.2	Very high	57 Å²	57	60.1 Å²	60.1	35%	0.35	28%	0.284	S	S	.	.	H	α-helix	trans	-58.6	-43.9	172.2	-56.2	0	0	0	0	110.5	V271 I272 Y278 R279	V271-T275 PolarHBondContact O-N 3.22Å; V271-T275 PolarHBondContact O-OG1 3.02Å; I272-T275 PolarHBondContact O-N 3.5Å; T275-Y278 PolarHBondContact O-N 2.94Å; T275-R279 WeakPolarHBondContact O-CG 3.44Å; T275-R279 PolarHBondContact O-N 2.93Å
276	K	91.6	Very high	91.9	Very high	106 Å²	106	59.5 Å²	59.5	46%	0.461	28%	0.279	S	S	.	.	H	α-helix	trans	-64.5	-44.3	175.4	-71.5	-177.7	177.4	-178.1	0	112.4	F190 I272 M273 Y274 Y278 R279 I280	F190-K276 HydrophobicContact CD2-CB 4.35Å; F190-K276 HydrophobicContact CE2-CB 3.73Å; F190-K276 HydrophobicContact CE2-CD 3.85Å; F190-K276 HydrophobicContact CE2-CG 4.43Å; F190-K276 HydrophobicContact CZ-CD 4.12Å; I272-K276 HydrophobicContact CG2-CD 4.44Å; I272-K276 WeakPolarHBondContact O-CG 3.5Å; I272-K276 PolarHBondContact O-N 3.38Å; M273-K276 PolarHBondContact O-N 3.39Å; Y274-K276 VanDerWaalsContact C-N 3.28Å; Y274-K276 PolarHBondContact O-N 3.46Å; K276-Y278 VanDerWaalsContact C-N 3.3Å; K276-Y278 PolarHBondContact O-N 3.01Å; K276-R279 PolarHBondContact O-N 3.37Å; K276-I280 WeakPolarHBondContact O-CG1 3.33Å; K276-I280 PolarHBondContact O-N 3.42Å
277	I	91.8	Very high	91.5	Very high	6 Å²	6	61.2 Å²	61.2	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-57.5	-45.1	175.7	-70.1	165.7	0	0	0	110.8	R189 F190 V193 M273 Y274 T281 A583	R189-I277 HydrophobicContact CB-CD1 4.29Å; F190-I277 HydrophobicContact CB-CD1 4.11Å; F190-I277 HydrophobicContact CB-CG1 4.39Å; F190-I277 HydrophobicContact CD2-CG1 4.07Å; V193-I277 HydrophobicContact CG2-CG2 4.45Å; M273-I277 VanDerWaalsContact O-CG1 3.29Å; M273-I277 WeakPolarHBondContact O-CG1 3.15Å; M273-I277 PolarHBondContact O-N 2.92Å; Y274-I277 HydrophobicContact CD1-CD1 4.05Å; Y274-I277 HydrophobicContact CE1-CD1 4.2Å; Y274-I277 PolarHBondContact O-N 2.96Å; I277-T281 WeakPolarHBondContact O-CB 3.29Å; I277-T281 PolarHBondContact O-N 2.81Å; I277-T281 PolarHBondContact O-OG1 2.88Å; I277-A583 HydrophobicContact CG2-CB 4.45Å
278	Y	89.8	Confident	91.1	Very high	150 Å²	150	61 Å²	61	59%	0.588	29%	0.292	S	S	*	.	H	α-helix	trans	-62	-50	179.1	175.9	-95.1	0	0	0	111.6	Y274 T275 K276 I280 T281 K282	Y274-Y278 WeakPolarHBondContact O-CB 3.43Å; Y274-Y278 PolarHBondContact O-N 3.23Å; T275-Y278 PolarHBondContact O-N 2.94Å; K276-Y278 VanDerWaalsContact C-N 3.3Å; K276-Y278 PolarHBondContact O-N 3.01Å; Y278-I280 PolarHBondContact O-N 2.89Å; Y278-T281 PolarHBondContact O-N 2.99Å; Y278-K282 HydrophobicContact CE1-CD 4.5Å; Y278-K282 PolarHBondContact O-N 3.06Å
279	R	91.1	Very high	90.8	Very high	161 Å²	161	63.8 Å²	63.8	61%	0.608	30%	0.297	S	S	*	.	H	α-helix	trans	-57.5	-49.1	178.9	-72.6	179.1	-176.4	-179.7	2.7	111.7	T275 K276 T281 K282 Q283	T275-R279 WeakPolarHBondContact O-CG 3.44Å; T275-R279 PolarHBondContact O-N 2.93Å; K276-R279 PolarHBondContact O-N 3.37Å; R279-T281 VanDerWaalsContact C-N 3.35Å; R279-T281 PolarHBondContact O-N 2.73Å; R279-K282 PolarHBondContact O-N 3.22Å; R279-Q283 WeakPolarHBondContact O-CG 3.27Å; R279-Q283 PolarHBondContact O-N 3.17Å
280	I	86.7	Confident	90.4	Very high	39 Å²	39	69.6 Å²	69.6	20%	0.2	32%	0.315	C	S	.	.	H	α-helix	trans	-62.2	-42	178.9	-67.7	170.1	0	0	0	111.4	V193 T194 K276 Y278 K282 Q283 R284	V193-I280 HydrophobicContact CG1-CG2 4.02Å; T194-I280 HydrophobicContact CG2-CD1 3.7Å; K276-I280 WeakPolarHBondContact O-CG1 3.33Å; K276-I280 PolarHBondContact O-N 3.42Å; Y278-I280 PolarHBondContact O-N 2.89Å; I280-K282 VanDerWaalsContact C-N 3.31Å; I280-K282 PolarHBondContact O-N 3.38Å; I280-Q283 PolarHBondContact O-N 2.88Å; I280-R284 HydrophobicContact CG2-CG 4.39Å; I280-R284 WeakPolarHBondContact O-CB 3.09Å; I280-R284 WeakPolarHBondContact O-CG 3.33Å; I280-R284 PolarHBondContact O-N 3.4Å
281	T	87.9	Confident	89.9	Confident	12 Å²	12	70 Å²	70	7%	0.074	32%	0.317	C	S	.	.	H	α-helix	trans	-66.4	-34.8	179.4	-56.7	0	0	0	0	111.9	I277 Y278 R279 G285	I277-T281 WeakPolarHBondContact O-CB 3.29Å; I277-T281 PolarHBondContact O-N 2.81Å; I277-T281 PolarHBondContact O-OG1 2.88Å; Y278-T281 PolarHBondContact O-N 2.99Å; R279-T281 VanDerWaalsContact C-N 3.35Å; R279-T281 PolarHBondContact O-N 2.73Å; T281-G285 PolarHBondContact O-N 3.2Å
282	K	88.6	Confident	89.6	Confident	110 Å²	110	71.3 Å²	71.3	48%	0.478	32%	0.319	S	S	.	.	H	α-helix	trans	-67.4	-50.1	174.1	-173.8	179.4	175.4	-175.7	0	111.1	Y278 R279 I280 G285 E286	Y278-K282 HydrophobicContact CE1-CD 4.5Å; Y278-K282 PolarHBondContact O-N 3.06Å; R279-K282 PolarHBondContact O-N 3.22Å; I280-K282 VanDerWaalsContact C-N 3.31Å; I280-K282 PolarHBondContact O-N 3.38Å; K282-G285 CarbonylContact O-C 3.29Å; K282-G285 WeakPolarHBondContact O-CA 3.29Å; K282-G285 PolarHBondContact O-N 3.07Å; K282-E286 VanDerWaalsContact CE-OE1 3.23Å; K282-E286 WeakPolarHBondContact CE-OE1 3.11Å; K282-E286 PolarHBondContact O-N 3.14Å
283	Q	87.6	Confident	89.2	Confident	121 Å²	121	68.4 Å²	68.4	57%	0.565	31%	0.311	S	S	*	.	H	α-helix	trans	-59.5	-50.1	178.8	-73.2	171.4	-19.8	0	0	112.8	R279 I280 G285 E286 A287	R279-Q283 WeakPolarHBondContact O-CG 3.27Å; R279-Q283 PolarHBondContact O-N 3.17Å; I280-Q283 PolarHBondContact O-N 2.88Å; Q283-G285 PolarHBondContact O-N 2.93Å; Q283-G285 VanDerWaalsContact O-N 3.08Å; Q283-E286 PolarHBondContact O-N 3.04Å; Q283-A287 PolarHBondContact O-N 3.12Å
284	R	87.2	Confident	88.7	Confident	61 Å²	61	68.4 Å²	68.4	23%	0.23	31%	0.311	C	S	.	.	H	α-helix	trans	-54.7	-32	171.5	-74.3	178.6	177.3	166.9	5.3	111.8	V193 I280 I288	V193-R284 VanDerWaalsContact O-CZ 3.23Å; V193-R284 PolarHBondContact O-NH1 3.28Å; V193-R284 PolarHBondContact O-NH2 2.93Å; I280-R284 HydrophobicContact CG2-CG 4.39Å; I280-R284 WeakPolarHBondContact O-CB 3.09Å; I280-R284 WeakPolarHBondContact O-CG 3.33Å; I280-R284 PolarHBondContact O-N 3.4Å; R284-I288 WeakPolarHBondContact O-CD1 3.43Å; R284-I288 VanDerWaalsContact O-CG1 3.28Å; R284-I288 WeakPolarHBondContact O-CG1 3.48Å; R284-I288 PolarHBondContact O-N 3.02Å
285	G	89	Confident	88.3	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-69.7	-39.9	177.6	0	0	0	0	0	116.3	T281 K282 Q283 K289 R576	T281-G285 PolarHBondContact O-N 3.2Å; K282-G285 CarbonylContact O-C 3.29Å; K282-G285 WeakPolarHBondContact O-CA 3.29Å; K282-G285 PolarHBondContact O-N 3.07Å; Q283-G285 PolarHBondContact O-N 2.93Å; Q283-G285 VanDerWaalsContact O-N 3.08Å; G285-K289 WeakPolarHBondContact O-CG 3.44Å; G285-K289 PolarHBondContact O-N 3.26Å; G285-R576 VanDerWaalsContact C-NH1 3.26Å; G285-R576 VanDerWaalsContact CA-NH2 3.28Å; G285-R576 PolarHBondContact O-NH1 3.11Å
286	E	89.7	Confident	88.1	Confident	82 Å²	82	73 Å²	73	38%	0.383	33%	0.326	S	S	.	.	H	α-helix	trans	-71	-40.8	173.8	-70.5	161.7	-174	0	0	110	K282 Q283 I288 K289 R290	K282-E286 VanDerWaalsContact CE-OE1 3.23Å; K282-E286 WeakPolarHBondContact CE-OE1 3.11Å; K282-E286 PolarHBondContact O-N 3.14Å; Q283-E286 PolarHBondContact O-N 3.04Å; E286-I288 PolarHBondContact O-N 3.01Å; E286-K289 WeakPolarHBondContact O-CB 3.07Å; E286-K289 PolarHBondContact O-N 3.34Å; E286-K289 VanDerWaalsContact O-N 3.12Å; E286-R290 WeakPolarHBondContact O-CG 3.46Å; E286-R290 PolarHBondContact O-N 3.11Å
287	A	87.4	Confident	87.7	Confident	39 Å²	39	75.3 Å²	75.3	32%	0.322	33%	0.332	S	S	.	.	H	α-helix	trans	-57	-48	173.6	0	0	0	0	0	112.3	Q283 K289 R290 L291	Q283-A287 PolarHBondContact O-N 3.12Å; A287-K289 VanDerWaalsContact C-N 3.3Å; A287-K289 PolarHBondContact O-N 3.38Å; A287-R290 PolarHBondContact O-N 2.69Å; A287-L291 WeakPolarHBondContact O-CG 3.4Å; A287-L291 PolarHBondContact O-N 3.34Å
288	I	88.1	Confident	87.3	Confident	14 Å²	14	76 Å²	76	7%	0.072	34%	0.337	C	S	.	.	H	α-helix	trans	-61	-38.3	176.3	-71	164.9	0	0	0	111.6	R284 E286 L291 Q292 A572 A573 R576	R284-I288 WeakPolarHBondContact O-CD1 3.43Å; R284-I288 VanDerWaalsContact O-CG1 3.28Å; R284-I288 WeakPolarHBondContact O-CG1 3.48Å; R284-I288 PolarHBondContact O-N 3.02Å; E286-I288 PolarHBondContact O-N 3.01Å; I288-L291 PolarHBondContact O-N 2.73Å; I288-Q292 VanDerWaalsContact O-CG 3.29Å; I288-Q292 WeakPolarHBondContact O-CG 3.45Å; I288-Q292 PolarHBondContact O-N 3.34Å; I288-A572 HydrophobicContact CD1-CB 3.9Å; I288-A572 HydrophobicContact CG1-CB 4.16Å; I288-A573 HydrophobicContact CG2-CB 4.01Å; I288-R576 HydrophobicContact CD1-CB 3.96Å
289	K	90.2	Very high	86.9	Confident	135 Å²	135	71.8 Å²	71.8	59%	0.587	32%	0.324	S	S	*	.	H	α-helix	trans	-65.7	-41.5	176.2	-74.8	179.3	175.2	-172.7	0	111.6	G285 E286 A287 Q292 G293	G285-K289 WeakPolarHBondContact O-CG 3.44Å; G285-K289 PolarHBondContact O-N 3.26Å; E286-K289 WeakPolarHBondContact O-CB 3.07Å; E286-K289 PolarHBondContact O-N 3.34Å; E286-K289 VanDerWaalsContact O-N 3.12Å; A287-K289 VanDerWaalsContact C-N 3.3Å; A287-K289 PolarHBondContact O-N 3.38Å; K289-Q292 WeakPolarHBondContact O-CB 3.23Å; K289-Q292 PolarHBondContact O-N 3.16Å; K289-G293 PolarHBondContact O-N 2.93Å
290	R	87.3	Confident	86.5	Confident	191 Å²	191	67.9 Å²	67.9	72%	0.721	32%	0.321	S	S	*	.	H	α-helix	trans	-61	-46	175	-70.1	178.5	-176.1	-175.8	1.2	111.2	E286 A287 Q292 G293 F294	E286-R290 WeakPolarHBondContact O-CG 3.46Å; E286-R290 PolarHBondContact O-N 3.11Å; A287-R290 PolarHBondContact O-N 2.69Å; R290-Q292 VanDerWaalsContact C-N 3.33Å; R290-Q292 PolarHBondContact O-N 3.31Å; R290-G293 PolarHBondContact O-N 3.18Å; R290-G293 VanDerWaalsContact O-N 3.14Å; R290-F294 WeakPolarHBondContact O-CB 3.44Å; R290-F294 PolarHBondContact O-N 3.41Å
291	L	85.1	Confident	86	Confident	9 Å²	9	72 Å²	72	5%	0.047	34%	0.338	C	S	.	.	H	α-helix	trans	-61.1	-38.9	175.6	-70.3	175.5	0	0	0	112.8	A287 I288 F294 H295 I478 I481 I569	A287-L291 WeakPolarHBondContact O-CG 3.4Å; A287-L291 PolarHBondContact O-N 3.34Å; I288-L291 PolarHBondContact O-N 2.73Å; L291-F294 PolarHBondContact O-N 2.84Å; L291-H295 WeakPolarHBondContact O-CB 3.18Å; L291-H295 PolarHBondContact O-N 2.68Å; L291-I478 HydrophobicContact CD1-CG1 4.21Å; L291-I478 HydrophobicContact CD1-CG2 4.13Å; L291-I481 HydrophobicContact CD2-CB 4.45Å; L291-I481 HydrophobicContact CD2-CG2 3.54Å; L291-I569 HydrophobicContact CB-CD1 3.94Å; L291-I569 HydrophobicContact CB-CG1 4.15Å
292	Q	88.8	Confident	85.5	Confident	84 Å²	84	72.3 Å²	72.3	39%	0.393	34%	0.341	S	S	.	.	H	α-helix	trans	-63.5	-43.4	173.3	-75	174.5	-24.6	0	0	112	I288 K289 R290 K296 I569	I288-Q292 VanDerWaalsContact O-CG 3.29Å; I288-Q292 WeakPolarHBondContact O-CG 3.45Å; I288-Q292 PolarHBondContact O-N 3.34Å; K289-Q292 WeakPolarHBondContact O-CB 3.23Å; K289-Q292 PolarHBondContact O-N 3.16Å; R290-Q292 VanDerWaalsContact C-N 3.33Å; R290-Q292 PolarHBondContact O-N 3.31Å; Q292-K296 WeakPolarHBondContact O-CB 3.11Å; Q292-K296 PolarHBondContact O-N 2.87Å; Q292-I569 HydrophobicContact CG-CG2 3.36Å
293	G	86.5	Confident	84.9	Confident	28 Å²	28	76.8 Å²	76.8	29%	0.289	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-46.1	174.8	0	0	0	0	0	112.2	K289 R290 K296 R297	K289-G293 PolarHBondContact O-N 2.93Å; R290-G293 PolarHBondContact O-N 3.18Å; R290-G293 VanDerWaalsContact O-N 3.14Å; G293-K296 PolarHBondContact O-N 3.1Å; G293-R297 WeakPolarHBondContact O-CG 3.45Å; G293-R297 PolarHBondContact O-N 3.09Å
294	F	84.2	Confident	84.3	Confident	15 Å²	15	73.8 Å²	73.8	7%	0.066	35%	0.347	C	S	.	.	H	α-helix	trans	-57.5	-53.6	175	-180	-96.2	0	0	0	111.2	R290 L291 K296 R297 S298 A485 M488 E489 M565	R290-F294 WeakPolarHBondContact O-CB 3.44Å; R290-F294 PolarHBondContact O-N 3.41Å; L291-F294 PolarHBondContact O-N 2.84Å; F294-K296 VanDerWaalsContact C-N 3.29Å; F294-K296 PolarHBondContact O-N 2.92Å; F294-R297 PolarHBondContact O-N 3.02Å; F294-R297 VanDerWaalsContact O-N 3.09Å; F294-S298 WeakPolarHBondContact CE1-OG 3.19Å; F294-S298 PolarHBondContact O-N 3.12Å; F294-S298 PolarHBondContact O-OG 3.28Å; F294-S298 VanDerWaalsContact O-OG 3.07Å; F294-A485 HydrophobicContact CD1-CB 4.22Å; F294-A485 HydrophobicContact CD2-CB 4Å; F294-A485 HydrophobicContact CE1-CB 3.95Å; F294-A485 HydrophobicContact CE2-CB 3.73Å; F294-A485 HydrophobicContact CG-CB 4.26Å; F294-A485 HydrophobicContact CZ-CB 3.71Å; F294-M488 HydrophobicContact CE1-CE 3.85Å; F294-M488 HydrophobicContact CE2-CB 4.38Å; F294-M488 HydrophobicContact CZ-CB 4.11Å; F294-M488 HydrophobicContact CZ-CE 3.5Å; F294-M488 HydrophobicContact CZ-SD 3.94Å; F294-E489 HydrophobicContact CE2-CG 4.39Å; F294-M565 HydrophobicContact CD1-SD 4.43Å
295	H	84.5	Confident	83.1	Confident	17 Å²	17	75 Å²	75	8%	0.079	36%	0.359	C	S	.	.	H	α-helix	trans	-55.9	-42.2	177.7	176.2	71.8	0	0	0	112.4	L291 S298 M299 L562 N566 I569	L291-H295 WeakPolarHBondContact O-CB 3.18Å; L291-H295 PolarHBondContact O-N 2.68Å; H295-S298 PolarHBondContact O-N 3.41Å; H295-M299 WeakPolarHBondContact O-CB 3.36Å; H295-M299 WeakPolarHBondContact O-CG 3.19Å; H295-M299 PolarHBondContact O-N 3.27Å; H295-L562 PolarHBondContact CE1-O 3.16Å; H295-L562 PolarHBondContact ND1-O 2.87Å; H295-N566 PolarHBondContact NE2-ND2 3.03Å; H295-I569 HydrophobicContact CB-CD1 3.99Å
296	K	86.6	Confident	81.8	Confident	152 Å²	152	79 Å²	79	66%	0.661	38%	0.376	S	S	*	.	H	α-helix	trans	-60.9	-47.3	176.2	-171.3	179.6	179.7	-175.3	0	111.3	Q292 G293 F294 M299 C300	Q292-K296 WeakPolarHBondContact O-CB 3.11Å; Q292-K296 PolarHBondContact O-N 2.87Å; G293-K296 PolarHBondContact O-N 3.1Å; F294-K296 VanDerWaalsContact C-N 3.29Å; F294-K296 PolarHBondContact O-N 2.92Å; K296-M299 PolarHBondContact O-N 3.36Å; K296-C300 PolarHBondContact O-N 3.4Å; K296-C300 PolarHBondContact O-SG 3.49Å; K296-C300 VanDerWaalsContact O-SG 3.37Å
297	R	84.2	Confident	80.4	Confident	155 Å²	155	77.8 Å²	77.8	59%	0.585	38%	0.376	S	S	*	.	H	α-helix	trans	-61.6	-46.4	177	-69.9	-173	-64.3	-134.6	10.2	112.1	G293 F294 M299 C300 F301 E489	G293-R297 WeakPolarHBondContact O-CG 3.45Å; G293-R297 PolarHBondContact O-N 3.09Å; F294-R297 PolarHBondContact O-N 3.02Å; F294-R297 VanDerWaalsContact O-N 3.09Å; R297-M299 VanDerWaalsContact C-N 3.33Å; R297-M299 PolarHBondContact O-N 3.42Å; R297-C300 PolarHBondContact O-N 2.8Å; R297-F301 PolarHBondContact O-N 2.94Å; R297-E489 IonicContact NH2-OE1 3.39Å; R297-E489 PolarHBondContact NH2-OE1 3.29Å
298	S	82	Confident	78.8	Confident	20 Å²	20	79.8 Å²	79.8	14%	0.14	38%	0.381	C	S	.	.	H	α-helix	trans	-63.5	-37.6	178.8	-53.2	0	0	0	0	112.5	F294 H295 F301 A302	F294-S298 WeakPolarHBondContact CE1-OG 3.19Å; F294-S298 PolarHBondContact O-N 3.12Å; F294-S298 PolarHBondContact O-OG 3.28Å; F294-S298 VanDerWaalsContact O-OG 3.07Å; H295-S298 PolarHBondContact O-N 3.41Å; S298-F301 PolarHBondContact O-N 3.23Å; S298-A302 WeakPolarHBondContact O-CB 3.39Å; S298-A302 PolarHBondContact O-N 2.88Å
299	M	82.1	Confident	77.2	Confident	63 Å²	63	82.7 Å²	82.7	31%	0.31	40%	0.4	S	S	.	.	H	α-helix	trans	-66.1	-42.5	174.3	-79.8	-68	-66.4	0	0	112.4	H295 K296 R297 A302 R303 L562	H295-M299 WeakPolarHBondContact O-CB 3.36Å; H295-M299 WeakPolarHBondContact O-CG 3.19Å; H295-M299 PolarHBondContact O-N 3.27Å; K296-M299 PolarHBondContact O-N 3.36Å; R297-M299 VanDerWaalsContact C-N 3.33Å; R297-M299 PolarHBondContact O-N 3.42Å; M299-A302 PolarHBondContact O-N 2.88Å; M299-R303 WeakPolarHBondContact O-CB 3.45Å; M299-R303 PolarHBondContact O-N 3.02Å; M299-L562 HydrophobicContact CG-CD1 4.22Å; M299-L562 HydrophobicContact SD-CB 3.88Å; M299-L562 HydrophobicContact SD-CD1 3.75Å; M299-L562 HydrophobicContact SD-CG 4.42Å
300	C	82.3	Confident	75.5	Confident	79 Å²	79	80.2 Å²	80.2	53%	0.534	39%	0.39	S	S	.	.	H	α-helix	trans	-60.7	-44.9	174.3	-71.4	0	0	0	0	111.5	K296 R297 R303 S304	K296-C300 PolarHBondContact O-N 3.4Å; K296-C300 PolarHBondContact O-SG 3.49Å; K296-C300 VanDerWaalsContact O-SG 3.37Å; R297-C300 PolarHBondContact O-N 2.8Å; C300-R303 PolarHBondContact O-N 3.31Å; C300-S304 PolarHBondContact O-N 2.89Å
301	F	77	Confident	73.7	Confident	126 Å²	126	76.6 Å²	76.6	55%	0.553	38%	0.381	S	S	*	.	H	α-helix	trans	-62	-46.1	176.2	-176.7	-97.4	0	0	0	112.1	R297 S298 R303 S304 N305	R297-F301 PolarHBondContact O-N 2.94Å; S298-F301 PolarHBondContact O-N 3.23Å; F301-R303 PolarHBondContact O-N 3Å; F301-S304 PolarHBondContact O-N 3.39Å; F301-N305 PolarHBondContact O-N 3.26Å
302	A	76.6	Confident	72.1	Confident	18 Å²	18	79.9 Å²	79.9	15%	0.149	40%	0.402	C	S	.	.	H	α-helix	trans	-63.9	-26.6	177	0	0	0	0	0	113.2	S298 M299 K306 L562	S298-A302 WeakPolarHBondContact O-CB 3.39Å; S298-A302 PolarHBondContact O-N 2.88Å; M299-A302 PolarHBondContact O-N 2.88Å; A302-K306 PolarHBondContact O-N 3.32Å; A302-L562 HydrophobicContact CB-CD1 4.26Å
303	R	76.8	Confident	70.2	Confident	204 Å²	204	82.2 Å²	82.2	77%	0.77	41%	0.41	S	S	*	.	H	α-helix	trans	-77.8	-45.5	173.7	-173.5	177.6	178	172.2	-0.7	111.8	M299 C300 F301 N305 K306 S307	M299-R303 WeakPolarHBondContact O-CB 3.45Å; M299-R303 PolarHBondContact O-N 3.02Å; C300-R303 PolarHBondContact O-N 3.31Å; F301-R303 PolarHBondContact O-N 3Å; R303-N305 VanDerWaalsContact C-N 3.33Å; R303-N305 PolarHBondContact O-N 2.9Å; R303-K306 WeakPolarHBondContact O-CA 3.34Å; R303-K306 VanDerWaalsContact O-CB 3.29Å; R303-K306 WeakPolarHBondContact O-CB 3.45Å; R303-K306 PolarHBondContact O-N 3.25Å; R303-S307 PolarHBondContact O-N 3.03Å
304	S	74.4	Confident	68.4	Low	58 Å²	58	85.4 Å²	85.4	41%	0.406	42%	0.421	S	S	.	.	H	α-helix	trans	-63.1	-37.9	176.7	172.5	0	0	0	0	112.1	C300 F301 K306 S307 N308	C300-S304 PolarHBondContact O-N 2.89Å; F301-S304 PolarHBondContact O-N 3.39Å; S304-K306 PolarHBondContact O-N 2.9Å; S304-S307 WeakPolarHBondContact CA-OG 3.11Å; S304-S307 PolarHBondContact O-N 3.05Å; S304-S307 PolarHBondContact O-OG 3.41Å; S304-N308 PolarHBondContact O-N 2.9Å; S304-N308 PolarHBondContact O-OD1 2.88Å
305	N	62	Low	66.6	Low	87 Å²	87	88.5 Å²	88.5	47%	0.465	44%	0.438	S	S	.	.	H	α-helix	trans	-68.9	-23.9	175.4	-150.9	31.3	0	0	0	112.3	F301 R303 V309	F301-N305 PolarHBondContact O-N 3.26Å; R303-N305 VanDerWaalsContact C-N 3.33Å; R303-N305 PolarHBondContact O-N 2.9Å; N305-V309 WeakPolarHBondContact O-CB 3.32Å; N305-V309 WeakPolarHBondContact O-CG2 3.33Å; N305-V309 PolarHBondContact O-N 2.72Å
306	K	62.8	Low	65	Low	84 Å²	84	92 Å²	92	37%	0.365	46%	0.461	S	S	.	.	H	α-helix	trans	-71.3	-47	170.7	-168.4	-171.4	179.5	-94.2	0	110.6	A302 R303 S304 N308 V309 E310	A302-K306 PolarHBondContact O-N 3.32Å; R303-K306 WeakPolarHBondContact O-CA 3.34Å; R303-K306 VanDerWaalsContact O-CB 3.29Å; R303-K306 WeakPolarHBondContact O-CB 3.45Å; R303-K306 PolarHBondContact O-N 3.25Å; S304-K306 PolarHBondContact O-N 2.9Å; K306-N308 PolarHBondContact O-N 3.45Å; K306-V309 PolarHBondContact O-N 2.96Å; K306-E310 WeakPolarHBondContact CE-OE1 3.48Å; K306-E310 IonicContact NZ-OE1 2.59Å; K306-E310 PolarHBondContact NZ-OE1 3.35Å; K306-E310 IonicContact NZ-OE2 2.87Å; K306-E310 PolarHBondContact NZ-OE2 3.03Å; K306-E310 WeakPolarHBondContact O-CB 3.38Å; K306-E310 WeakPolarHBondContact O-CG 3.36Å; K306-E310 PolarHBondContact O-N 3.45Å
307	S	58.5	Low	62.6	Low	55 Å²	55	87.3 Å²	87.3	39%	0.385	45%	0.45	S	S	.	.	H	α-helix	trans	-64	-39.1	178.6	60.3	0	0	0	0	112.1	R303 S304 V309 E310 Q311	R303-S307 PolarHBondContact O-N 3.03Å; S304-S307 WeakPolarHBondContact CA-OG 3.11Å; S304-S307 PolarHBondContact O-N 3.05Å; S304-S307 PolarHBondContact O-OG 3.41Å; S307-V309 VanDerWaalsContact C-N 3.35Å; S307-V309 PolarHBondContact O-N 3.33Å; S307-E310 PolarHBondContact O-N 3.29Å; S307-Q311 VanDerWaalsContact O-CB 3.23Å; S307-Q311 WeakPolarHBondContact O-CB 3.29Å; S307-Q311 PolarHBondContact O-N 3.49Å
308	N	54.9	Low	60.4	Low	81 Å²	81	84.5 Å²	84.5	43%	0.433	45%	0.445	S	S	.	.	H	α-helix	trans	-66.7	-36.7	176.5	-67.1	4.3	0	0	0	111.9	S304 K306 V312	S304-N308 PolarHBondContact O-N 2.9Å; S304-N308 PolarHBondContact O-OD1 2.88Å; K306-N308 PolarHBondContact O-N 3.45Å; N308-V312 WeakPolarHBondContact O-CB 3.43Å; N308-V312 WeakPolarHBondContact O-CG2 3.26Å; N308-V312 PolarHBondContact O-N 3.43Å
309	V	54.8	Low	58.1	Low	75 Å²	75	92.1 Å²	92.1	46%	0.455	48%	0.479	S	S	.	.	H	α-helix	trans	-73.4	-33.9	175.9	172.3	0	0	0	0	111.7	N305 K306 S307 K313	N305-V309 WeakPolarHBondContact O-CB 3.32Å; N305-V309 WeakPolarHBondContact O-CG2 3.33Å; N305-V309 PolarHBondContact O-N 2.72Å; K306-V309 PolarHBondContact O-N 2.96Å; S307-V309 VanDerWaalsContact C-N 3.35Å; S307-V309 PolarHBondContact O-N 3.33Å; V309-K313 VanDerWaalsContact O-CG 3.29Å; V309-K313 WeakPolarHBondContact O-CG 3.33Å; V309-K313 PolarHBondContact O-N 3.31Å; V309-K313 VanDerWaalsContact O-N 3.12Å
310	E	54	Low	56	Low	84 Å²	84	92.9 Å²	92.9	39%	0.393	50%	0.495	S	S	.	.	H	α-helix	trans	-69.1	-45.5	172.7	-76.5	174.2	157.9	0	0	110.8	K306 S307 V312 K313 D314	K306-E310 WeakPolarHBondContact CE-OE1 3.48Å; K306-E310 IonicContact NZ-OE1 2.59Å; K306-E310 PolarHBondContact NZ-OE1 3.35Å; K306-E310 IonicContact NZ-OE2 2.87Å; K306-E310 PolarHBondContact NZ-OE2 3.03Å; K306-E310 WeakPolarHBondContact O-CB 3.38Å; K306-E310 WeakPolarHBondContact O-CG 3.36Å; K306-E310 PolarHBondContact O-N 3.45Å; S307-E310 PolarHBondContact O-N 3.29Å; E310-V312 PolarHBondContact O-N 2.83Å; E310-K313 CarbonylContact O-C 3.58Å; E310-K313 WeakPolarHBondContact O-CA 3.28Å; E310-K313 WeakPolarHBondContact O-CB 3.31Å; E310-K313 PolarHBondContact O-N 3.33Å; E310-D314 PolarHBondContact O-N 3.11Å
311	Q	48.7	Very low	53.7	Low	114 Å²	114	95.9 Å²	95.9	53%	0.533	51%	0.506	S	S	.	.	H	α-helix	trans	-61.4	-42.8	175.5	-171.7	173.3	-5.2	0	0	112.3	S307 K313 D314 D315	S307-Q311 VanDerWaalsContact O-CB 3.23Å; S307-Q311 WeakPolarHBondContact O-CB 3.29Å; S307-Q311 PolarHBondContact O-N 3.49Å; Q311-K313 VanDerWaalsContact C-N 3.27Å; Q311-K313 PolarHBondContact O-N 3.2Å; Q311-D314 CarbonylContact O-C 3.6Å; Q311-D314 PolarHBondContact O-N 3.08Å; Q311-D315 WeakPolarHBondContact O-CB 3.44Å; Q311-D315 PolarHBondContact O-N 3.36Å
312	V	51.8	Low	51.4	Low	78 Å²	78	93.9 Å²	93.9	47%	0.473	51%	0.508	S	S	.	.	H	α-helix	trans	-64.3	-32.6	173.7	170	0	0	0	0	111.8	N308 E310 V316	N308-V312 WeakPolarHBondContact O-CB 3.43Å; N308-V312 WeakPolarHBondContact O-CG2 3.26Å; N308-V312 PolarHBondContact O-N 3.43Å; E310-V312 PolarHBondContact O-N 2.83Å; V312-V316 HydrophobicContact CG1-CG2 4.42Å; V312-V316 VanDerWaalsContact O-CB 3.31Å; V312-V316 WeakPolarHBondContact O-CB 3.4Å; V312-V316 WeakPolarHBondContact O-CG2 3.26Å; V312-V316 PolarHBondContact O-N 3.19Å
313	K	49.2	Very low	49.1	Very low	133 Å²	133	98.2 Å²	98.2	58%	0.578	54%	0.537	S	S	*	.	H	α-helix	trans	-69.9	-39.3	173.4	-78.7	176.6	174.7	-165.9	0	111.8	V309 E310 Q311 A317	V309-K313 VanDerWaalsContact O-CG 3.29Å; V309-K313 WeakPolarHBondContact O-CG 3.33Å; V309-K313 PolarHBondContact O-N 3.31Å; V309-K313 VanDerWaalsContact O-N 3.12Å; E310-K313 CarbonylContact O-C 3.58Å; E310-K313 WeakPolarHBondContact O-CA 3.28Å; E310-K313 WeakPolarHBondContact O-CB 3.31Å; E310-K313 PolarHBondContact O-N 3.33Å; Q311-K313 VanDerWaalsContact C-N 3.27Å; Q311-K313 PolarHBondContact O-N 3.2Å; K313-A317 VanDerWaalsContact O-CB 3.23Å; K313-A317 WeakPolarHBondContact O-CB 3.47Å; K313-A317 PolarHBondContact O-N 3.32Å
314	D	49.7	Very low	46.6	Very low	96 Å²	96	93.7 Å²	93.7	51%	0.513	54%	0.536	S	S	.	.	H	α-helix	trans	-70.1	-41.9	177.6	-65.1	-26.9	0	0	0	110.5	E310 Q311 V316 A317 I318	E310-D314 PolarHBondContact O-N 3.11Å; Q311-D314 CarbonylContact O-C 3.6Å; Q311-D314 PolarHBondContact O-N 3.08Å; D314-V316 VanDerWaalsContact C-N 3.34Å; D314-V316 PolarHBondContact O-N 2.77Å; D314-A317 CarbonylContact O-C 3.56Å; D314-A317 PolarHBondContact O-N 3.5Å; D314-A317 VanDerWaalsContact O-N 3.13Å; D314-I318 WeakPolarHBondContact O-CB 3.38Å; D314-I318 WeakPolarHBondContact O-CD1 3.33Å; D314-I318 WeakPolarHBondContact O-CG1 3.43Å; D314-I318 PolarHBondContact O-N 3.43Å
315	D	45.4	Very low	44.2	Very low	79 Å²	79	99.8 Å²	99.8	42%	0.422	56%	0.558	S	S	.	*	H	α-helix	trans	-61.6	-41.7	174.3	-66.9	-29.4	0	0	0	111	Q311 I318 E319	Q311-D315 WeakPolarHBondContact O-CB 3.44Å; Q311-D315 PolarHBondContact O-N 3.36Å; D315-I318 PolarHBondContact O-N 2.86Å; D315-E319 PolarHBondContact O-N 2.89Å
316	V	50.7	Low	42.4	Very low	92 Å²	92	100.7 Å²	100.7	56%	0.558	57%	0.572	S	S	*	*	H	α-helix	trans	-69.1	-32.3	174.3	172	0	0	0	0	112	V312 D314 A320	V312-V316 HydrophobicContact CG1-CG2 4.42Å; V312-V316 VanDerWaalsContact O-CB 3.31Å; V312-V316 WeakPolarHBondContact O-CB 3.4Å; V312-V316 WeakPolarHBondContact O-CG2 3.26Å; V312-V316 PolarHBondContact O-N 3.19Å; D314-V316 VanDerWaalsContact C-N 3.34Å; D314-V316 PolarHBondContact O-N 2.77Å; V316-A320 PolarHBondContact O-N 3.35Å
317	A	37.6	Very low	40.6	Very low	52 Å²	52	104 Å²	104	43%	0.43	60%	0.599	S	S	.	*	H	α-helix	trans	-76.1	-33.4	175.3	0	0	0	0	0	112.2	K313 D314 A320 D321	K313-A317 VanDerWaalsContact O-CB 3.23Å; K313-A317 WeakPolarHBondContact O-CB 3.47Å; K313-A317 PolarHBondContact O-N 3.32Å; D314-A317 CarbonylContact O-C 3.56Å; D314-A317 PolarHBondContact O-N 3.5Å; D314-A317 VanDerWaalsContact O-N 3.13Å; A317-A320 WeakPolarHBondContact O-CB 3.47Å; A317-A320 PolarHBondContact O-N 2.89Å; A317-A320 VanDerWaalsContact O-N 3.14Å; A317-D321 PolarHBondContact O-N 2.98Å; A317-D321 VanDerWaalsContact O-N 3.1Å
318	I	36	Very low	38.9	Very low	96 Å²	96	105.9 Å²	105.9	49%	0.492	62%	0.617	S	S	.	*	H	α-helix	trans	-70.6	-39	174.8	-68.1	162.1	0	0	0	109.8	D314 D315 A320 D321 S322	D314-I318 WeakPolarHBondContact O-CB 3.38Å; D314-I318 WeakPolarHBondContact O-CD1 3.33Å; D314-I318 WeakPolarHBondContact O-CG1 3.43Å; D314-I318 PolarHBondContact O-N 3.43Å; D315-I318 PolarHBondContact O-N 2.86Å; I318-A320 PolarHBondContact O-N 3.24Å; I318-D321 PolarHBondContact O-N 3.05Å; I318-S322 PolarHBondContact O-N 2.94Å; I318-S322 VanDerWaalsContact O-N 3.13Å; I318-S322 PolarHBondContact O-OG 2.94Å
319	E	35.1	Very low	37.4	Very low	180 Å²	180	107 Å²	107	84%	0.841	64%	0.638	S	S	*	*	H	α-helix	trans	-62.3	-20.8	169.8	-79.1	-165.3	168.9	0	0	112.9	D315	D315-E319 PolarHBondContact O-N 2.89Å
320	A	37.1	Very low	35.9	Very low	79 Å²	79	112.4 Å²	112.4	65%	0.653	66%	0.658	S	S	*	*	H	α-helix	trans	-89.5	-24	176.5	0	0	0	0	0	114	V316 A317 I318	V316-A320 PolarHBondContact O-N 3.35Å; A317-A320 WeakPolarHBondContact O-CB 3.47Å; A317-A320 PolarHBondContact O-N 2.89Å; A317-A320 VanDerWaalsContact O-N 3.14Å; I318-A320 PolarHBondContact O-N 3.24Å
321	D	34.6	Very low	34.4	Very low	143 Å²	143	117.4 Å²	117.4	77%	0.765	68%	0.682	S	S	*	*	H	α-helix	trans	-129.4	7.2	-166.7	-123.2	1.2	0	0	0	116.3	A317 I318	A317-D321 PolarHBondContact O-N 2.98Å; A317-D321 VanDerWaalsContact O-N 3.1Å; I318-D321 PolarHBondContact O-N 3.05Å
322	S	28.5	Very low	33.2	Very low	84 Å²	84	117.9 Å²	117.9	59%	0.587	70%	0.696	S	S	*	*			trans	-105.8	62.1	168.9	77.5	0	0	0	0	113.1	I318	I318-S322 PolarHBondContact O-N 2.94Å; I318-S322 VanDerWaalsContact O-N 3.13Å; I318-S322 PolarHBondContact O-OG 2.94Å
323	S	28.6	Very low	31.9	Very low	108 Å²	108	119.4 Å²	119.4	76%	0.755	71%	0.708	S	S	*	*	S	Bend	trans	-90.9	80.4	131.6	55.8	0	0	0	0	107.6
324	S	23.7	Very low	30.7	Very low	109 Å²	109	117.9 Å²	117.9	76%	0.762	72%	0.72	S	S	*	*	S	Bend	trans	157.4	112.2	156.2	-69.3	0	0	0	0	112.2
325	E	24.2	Very low	29.6	Very low	186 Å²	186	120.8 Å²	120.8	87%	0.869	73%	0.734	S	S	*	*			trans	26.2	118.6	150.6	-73.2	169.1	154.9	0	0	125
326	S	24.8	Very low	28.7	Very low	106 Å²	106	125.3 Å²	125.3	74%	0.741	75%	0.752	S	S	*	*			trans	25.3	124.8	135.6	66.1	0	0	0	0	123.2
327	V	24.1	Very low	27.5	Very low	154 Å²	154	128.3 Å²	128.3	93%	0.933	77%	0.765	S	S	*	*			trans	-143.8	146.4	137.6	178.4	0	0	0	0	110.1
328	A	23.4	Very low	27	Very low	94 Å²	94	132 Å²	132	78%	0.777	78%	0.782	S	S	*	*			trans	-68.8	157.1	-163.3	0	0	0	0	0	117.6
329	A	22.9	Very low	26.6	Very low	106 Å²	106	134.4 Å²	134.4	88%	0.876	80%	0.801	S	S	*	*			trans	-67.6	137	177	0	0	0	0	0	113.1
330	Q	23.9	Very low	26.3	Very low	187 Å²	187	133.6 Å²	133.6	87%	0.874	80%	0.798	S	S	*	*			trans	-124.3	128.7	164.4	-166.4	156.6	-6.4	0	0	109.7
331	E	22.5	Very low	25.6	Very low	189 Å²	189	138.7 Å²	138.7	88%	0.883	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-56.7	134.2	-177.9	-98.8	155.5	143.5	0	0	113.3
332	C	22.7	Very low	25.2	Very low	124 Å²	124	139.5 Å²	139.5	84%	0.838	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-91.2	123.1	170.6	-73.8	0	0	0	0	110
333	P	25	Very low	25.1	Very low	111 Å²	111	142.4 Å²	142.4	72%	0.721	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-79.2	145.1	178.1	29.6	-30.4	0	0	0	112
334	A	23.9	Very low	24.9	Very low	100 Å²	100	145.7 Å²	145.7	83%	0.826	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-64.4	130.3	172	0	0	0	0	0	110.7
335	I	27.7	Very low	24.9	Very low	157 Å²	157	147.4 Å²	147.4	81%	0.805	82%	0.824	S	S	*	*			trans	-120.8	97.9	172.9	-58.9	176.4	0	0	0	107.9
336	E	25.9	Very low	25	Very low	174 Å²	174	146.9 Å²	146.9	81%	0.813	83%	0.828	S	S	*	*			trans	-76.4	138.9	160.4	-75.9	179.1	146.9	0	0	110.2
337	D	24.9	Very low	25	Very low	155 Å²	155	150.5 Å²	150.5	83%	0.829	83%	0.833	S	S	*	*			trans	32.8	91	153.5	-66.6	-27.5	0	0	0	120.6
338	V	26.6	Very low	24.9	Very low	129 Å²	129	154.6 Å²	154.6	78%	0.782	83%	0.831	S	S	*	*			trans	-140.1	98.5	143.7	-174.6	0	0	0	0	110
339	V	29.3	Very low	25	Very low	148 Å²	148	155.9 Å²	155.9	90%	0.897	83%	0.832	S	S	*	*			trans	-115.8	68.5	166.3	-175.9	0	0	0	0	108.4
340	E	27.2	Very low	25	Very low	163 Å²	163	156.6 Å²	156.6	76%	0.762	83%	0.83	S	S	*	*	S	Bend	trans	-157.3	118.7	152.5	-150.1	167.5	177.3	0	0	111.1
341	K	23.6	Very low	25	Very low	185 Å²	185	152 Å²	152	80%	0.804	83%	0.825	S	S	*	*			trans	82.4	95.6	178.5	-55.5	168.6	-175.4	158.7	0	115
342	D	25.2	Very low	25.1	Very low	161 Å²	161	149.3 Å²	149.3	86%	0.861	82%	0.823	S	S	*	*				-157.3	88	128.8	-88.2	-31.1	0	0	0	109.5
343	V	28.1	Very low	25.2	Very low	144 Å²	144	148 Å²	148	87%	0.873	82%	0.822	S	S	*	*			trans	-116.3	84.5	152.5	175.7	0	0	0	0	104.2
344	K	23	Very low	25.1	Very low	178 Å²	178	149.3 Å²	149.3	77%	0.774	82%	0.823	S	S	*	*	S	Bend	trans	172.3	134.5	149.6	-95.7	163.6	-177.3	-162.4	0	109.9
345	N	24.6	Very low	25.2	Very low	144 Å²	144	151 Å²	151	77%	0.77	82%	0.823	S	S	*	*			trans	88.1	86.5	166.7	-54.7	-2.4	0	0	0	117
346	N	26	Very low	24.9	Very low	176 Å²	176	150.8 Å²	150.8	94%	0.941	82%	0.823	S	S	*	*			trans	-82.4	102.2	151	-94.9	-5.3	0	0	0	107.5
347	E	23.9	Very low	25	Very low	181 Å²	181	147.9 Å²	147.9	85%	0.846	82%	0.819	S	S	*	*			trans	-111	141.1	157.8	-81.1	-176.9	145.9	0	0	109.7
348	R	22.2	Very low	25	Very low	240 Å²	240	147.4 Å²	147.4	91%	0.906	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-89	129	-160.5	-174.7	178.6	-159.3	-161.3	2.6	110.5
349	P	26.1	Very low	24.8	Very low	122 Å²	122	147.3 Å²	147.3	79%	0.792	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-75.1	137.4	172.1	-14	29	0	0	0	112
350	S	23	Very low	24.7	Very low	120 Å²	120	144.6 Å²	144.6	84%	0.839	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-65.3	138.7	178.4	10.5	0	0	0	0	112.8
351	A	23.4	Very low	24.4	Very low	92 Å²	92	145.8 Å²	145.8	76%	0.76	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-83.5	146.5	176.6	0	0	0	0	0	111.9
352	P	25.6	Very low	24.4	Very low	131 Å²	131	144.4 Å²	144.4	85%	0.851	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-82.6	152.2	165.4	32	-28.9	0	0	0	111.7
353	A	24.3	Very low	24.4	Very low	97 Å²	97	142.3 Å²	142.3	80%	0.802	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-88.3	152	-165.8	0	0	0	0	0	114.3
354	N	23.3	Very low	24	Very low	139 Å²	139	144.1 Å²	144.1	74%	0.743	81%	0.814	S	S	*	*			trans	81.3	95.8	142.9	-148.7	15.5	0	0	0	119.1
355	V	25.8	Very low	24.1	Very low	136 Å²	136	141.7 Å²	141.7	82%	0.824	81%	0.814	S	S	*	*			trans	-145.3	121.9	133.8	-179	0	0	0	0	107.8	P357	V355-P357 WeakPolarHBondContact O-CD 3.47Å
356	N	21.6	Very low	23.9	Very low	151 Å²	151	143.3 Å²	143.3	81%	0.807	81%	0.814	S	S	*	*			trans	-74.4	129.4	166.7	-85.3	-25.5	0	0	0	110.1
357	P	26.5	Very low	23.8	Very low	114 Å²	114	140.7 Å²	140.7	74%	0.74	80%	0.804	S	S	*	*			trans	-121.7	146	152.9	33.1	-18.5	0	0	0	112	V355	V355-P357 WeakPolarHBondContact O-CD 3.47Å
358	T	24.8	Very low	23.8	Very low	145 Å²	145	139.7 Å²	139.7	89%	0.89	80%	0.799	S	S	*	*			trans	-55.4	139.5	-172.5	-30.2	0	0	0	0	113.6	A360	T358-A360 PolarHBondContact O-N 2.8Å
359	V	23.6	Very low	23.8	Very low	127 Å²	127	133.8 Å²	133.8	77%	0.77	79%	0.792	S	S	*	*			trans	-61.9	114.6	176.5	175.2	0	0	0	0	110.7	Q361	V359-Q361 HydrophobicContact CG1-CG 4.12Å
360	A	26.5	Very low	23.8	Very low	91 Å²	91	133.7 Å²	133.7	75%	0.752	79%	0.794	S	S	*	*			trans	-101.5	113.3	157.4	0	0	0	0	0	108.1	T358	T358-A360 PolarHBondContact O-N 2.8Å
361	Q	21.5	Very low	23.9	Very low	188 Å²	188	132.7 Å²	132.7	88%	0.879	79%	0.787	S	S	*	*			trans	-69	126.4	178.6	-67.8	179.1	-31.5	0	0	110.5	V359	V359-Q361 HydrophobicContact CG1-CG 4.12Å
362	I	23.1	Very low	24	Very low	155 Å²	155	133.8 Å²	133.8	80%	0.795	79%	0.787	S	S	*	*			trans	-126.9	140.6	166.7	-64.6	179.4	0	0	0	107.3
363	P	24.7	Very low	24	Very low	117 Å²	117	137.6 Å²	137.6	76%	0.76	79%	0.79	S	S	*	*			trans	-73.2	149.4	-150.2	-16.4	30.7	0	0	0	115.6	V365	P363-V365 PolarHBondContact O-N 3.23Å
364	E	20.7	Very low	23.8	Very low	183 Å²	183	144.2 Å²	144.2	86%	0.855	79%	0.794	S	S	*	*			trans	-64.6	104.5	175.7	-164.4	175.8	-162.5	0	0	111.4	K366	E364-K366 PolarHBondContact O-N 2.72Å
365	V	25.3	Very low	23.8	Very low	127 Å²	127	142.8 Å²	142.8	77%	0.77	79%	0.794	S	S	*	*			trans	-83.4	96.9	167.1	-178.7	0	0	0	0	108	P363 V367	P363-V365 PolarHBondContact O-N 3.23Å; V365-V367 HydrophobicContact CG1-CG2 3.92Å; V365-V367 PolarHBondContact O-N 3.08Å
366	K	19.2	Very low	23.7	Very low	177 Å²	177	145 Å²	145	77%	0.77	79%	0.792	S	S	*	*			trans	-70.9	92.2	174.7	-152.2	175.4	-170.1	178.4	0	109.4	E364	E364-K366 PolarHBondContact O-N 2.72Å
367	V	25	Very low	23.9	Very low	121 Å²	121	147 Å²	147	73%	0.733	79%	0.794	S	S	*	*			trans	-89.7	99	169	-176.9	0	0	0	0	107.7	V365	V365-V367 HydrophobicContact CG1-CG2 3.92Å; V365-V367 PolarHBondContact O-N 3.08Å
368	E	22.8	Very low	23.9	Very low	161 Å²	161	152.5 Å²	152.5	75%	0.752	80%	0.8	S	S	*	*			trans	-68.2	135.2	168.7	-87.1	-167.9	166.5	0	0	110.6	S370	E368-S370 PolarHBondContact O-N 3.46Å
369	P	24	Very low	23.9	Very low	116 Å²	116	153 Å²	153	75%	0.753	80%	0.796	S	S	*	*			trans	-78.2	107.8	-175.6	29.9	-31.7	0	0	0	110.4	S371	P369-S371 PolarHBondContact O-N 2.91Å
370	S	25.2	Very low	24.1	Very low	120 Å²	120	158.1 Å²	158.1	84%	0.839	80%	0.802	S	S	*	*			trans	-72.4	94.7	164	61.4	0	0	0	0	109	E368	E368-S370 PolarHBondContact O-N 3.46Å
371	S	24.7	Very low	24.1	Very low	99 Å²	99	161 Å²	161	69%	0.692	80%	0.804	S	S	*	*			trans	-65.5	148.9	172.6	51.2	0	0	0	0	111.7	P369 K373	P369-S371 PolarHBondContact O-N 2.91Å; S371-K373 PolarHBondContact O-N 2.88Å
372	P	26.1	Very low	24.2	Very low	114 Å²	114	159.5 Å²	159.5	74%	0.74	80%	0.801	S	S	*	*			trans	-85.1	114.5	-163.7	-0.1	19.3	0	0	0	110.8	W374	P372-W374 PolarHBondContact O-N 3.13Å
373	K	25.2	Very low	25	Very low	212 Å²	212	157 Å²	157	92%	0.922	80%	0.795	S	S	*	*			trans	-78.4	89.5	169.6	-70.6	-176.4	-179.6	175.8	0	109.8	S371	S371-K373 PolarHBondContact O-N 2.88Å
374	W	20.7	Very low	25	Very low	236 Å²	236	157 Å²	157	89%	0.894	80%	0.796	S	S	*	*			trans	-65.4	137.3	155.7	-86.8	62.7	0	0	0	110	P372	P372-W374 PolarHBondContact O-N 3.13Å
375	C	22.4	Very low	24.9	Very low	108 Å²	108	159.8 Å²	159.8	73%	0.73	80%	0.799	S	S	*	*			trans	81.7	103.2	150.9	-140.6	0	0	0	0	118.4
376	K	24.6	Very low	25	Very low	182 Å²	182	164.4 Å²	164.4	79%	0.791	80%	0.802	S	S	*	*				162.9	132.5	110	-91.6	172.1	179.3	170.7	0	113.1
377	K	25.2	Very low	25.9	Very low	195 Å²	195	160.9 Å²	160.9	85%	0.848	80%	0.797	S	S	*	*			trans	68.5	139.5	152	-70.9	176	171.8	178	0	115.3
378	R	27.2	Very low	25.8	Very low	229 Å²	229	166.5 Å²	166.5	86%	0.864	81%	0.805	S	S	*	*			cis	-168.5	144.5	31.5	-154.8	172.6	179.8	-167.5	-1.4	109.8
379	L	23.6	Very low	26.1	Very low	155 Å²	155	166.9 Å²	166.9	81%	0.812	81%	0.813	S	S	*	*			trans	-36.4	133.7	162.4	-96.4	68	0	0	0	115.3
380	R	28.2	Very low	26	Very low	235 Å²	235	169.7 Å²	169.7	89%	0.887	82%	0.821	S	S	*	*			trans	-155.4	101.2	137.4	-66.4	-167.2	-170.3	175.1	2.3	107.2
381	L	26.2	Very low	26.1	Very low	151 Å²	151	168 Å²	168	79%	0.791	81%	0.814	S	S	*	*				47.3	108.2	97.9	-68.7	171.4	0	0	0	115
382	L	23.9	Very low	25.9	Very low	157 Å²	157	169.8 Å²	169.8	82%	0.822	82%	0.821	S	S	*	*			trans	25.5	163.1	135.1	-75.6	157.9	0	0	0	120.8
383	P	39.4	Very low	25.9	Very low	103 Å²	103	176.5 Å²	176.5	67%	0.669	83%	0.831	S	S	*	*			cis	-139.8	-163.2	-12.9	29.3	-4.1	0	0	0	114.3
384	C	25.5	Very low	25.7	Very low	115 Å²	115	174.7 Å²	174.7	78%	0.777	83%	0.831	S	S	*	*			trans	97.6	101.7	161.4	-53	0	0	0	0	115
385	W	19.4	Very low	25.8	Very low	243 Å²	243	172.7 Å²	172.7	92%	0.92	83%	0.831	S	S	*	*				52.8	94	55.5	-105.7	83.7	0	0	0	114.7
386	R	27.3	Very low	25.8	Very low	224 Å²	224	174.1 Å²	174.1	85%	0.845	84%	0.836	S	S	*	*			trans	166.9	164.1	132.7	-100	-166.8	-168.7	-121.5	3	114.1
387	P	38	Very low	25.7	Very low	102 Å²	102	177.3 Å²	177.3	66%	0.662	84%	0.844	S	S	*	*				-124.8	175.8	-117.1	44.8	-32.7	0	0	0	117
388	R	23.5	Very low	25.6	Very low	239 Å²	239	171.6 Å²	171.6	90%	0.902	84%	0.84	S	S	*	*			trans	12.1	118.4	152	-79.9	-179.6	175.4	172.8	-1.5	118.2
389	N	29.1	Very low	25.5	Very low	170 Å²	170	164.2 Å²	164.2	91%	0.909	84%	0.835	S	S	*	*			trans	-120.1	121.6	145.6	-80	-28	0	0	0	109.9
390	L	21.7	Very low	25.5	Very low	175 Å²	175	164.5 Å²	164.5	92%	0.916	84%	0.835	S	S	*	*			trans	-104.3	113	170.7	-178.7	84.3	0	0	0	105.6
391	A	25.5	Very low	25.2	Very low	85 Å²	85	161.3 Å²	161.3	70%	0.702	84%	0.835	S	S	*	*			trans	-161.2	100.6	166	0	0	0	0	0	111.1
392	T	22.3	Very low	25	Very low	135 Å²	135	165 Å²	165	83%	0.828	84%	0.839	S	S	*	*			trans	32.6	114.2	131.1	47.3	0	0	0	0	120.2
393	R	24.5	Very low	24.8	Very low	255 Å²	255	168.3 Å²	168.3	96%	0.962	84%	0.84	S	S	*	*			trans	-160.9	95.9	130	-119.8	-179.1	-179.5	-164.4	-0.1	109
394	L	22	Very low	24.1	Very low	175 Å²	175	172.8 Å²	172.8	92%	0.916	85%	0.85	S	S	*	*			trans	-101.6	112.9	170.1	-98	156.4	0	0	0	107
395	E	22.3	Very low	24	Very low	193 Å²	193	172.7 Å²	172.7	90%	0.902	85%	0.85	S	S	*	*			trans	-95.5	114.5	179.2	-155.5	168.6	-153.8	0	0	108.4
396	V	21.7	Very low	24	Very low	138 Å²	138	169.2 Å²	169.2	84%	0.836	84%	0.844	S	S	*	*			trans	-82.5	114.4	-178.7	176.3	0	0	0	0	108.3
397	R	24.3	Very low	23.9	Very low	250 Å²	250	164.6 Å²	164.6	94%	0.943	84%	0.843	S	S	*	*			trans	-109.7	105.7	168	-130.5	177.4	-175.6	-176.8	1.2	109
398	G	21.4	Very low	23.2	Very low	75 Å²	75	166.1 Å²	166.1	77%	0.773	85%	0.845	S	S	*	*			trans	-67.7	152.4	175.6	0	0	0	0	0	112.8
399	G	25.6	Very low	23.1	Very low	73 Å²	73	161.5 Å²	161.5	75%	0.753	84%	0.839	S	S	*	*			trans	-178.2	75	179	0	0	0	0	0	114.2
400	I	24	Very low	22.9	Very low	161 Å²	161	163.2 Å²	163.2	83%	0.826	84%	0.841	S	S	*	*			trans	55.9	104.7	144.7	-55.5	172.1	0	0	0	118.6
401	L	21.4	Very low	22.8	Very low	169 Å²	169	162.9 Å²	162.9	89%	0.885	84%	0.835	S	S	*	*			trans	-54.9	129.6	160.6	-69	153.1	0	0	0	112.3
402	R	22	Very low	22.8	Very low	229 Å²	229	164.8 Å²	164.8	86%	0.864	84%	0.838	S	S	*	*			trans	-116.6	113.3	152.1	-79.5	-165.4	-159.8	-168.2	6.1	110.2
403	R	19	Very low	23.2	Very low	226 Å²	226	163.6 Å²	163.6	85%	0.853	83%	0.832	S	S	*	*			trans	-75.9	126.3	171.6	-177.2	179.2	-68.7	178.5	-2.9	108.7
404	F	25.4	Very low	23	Very low	197 Å²	197	161.2 Å²	161.2	86%	0.864	83%	0.829	S	S	*	*			trans	-137.5	122.8	155.6	-87.2	-74.7	0	0	0	108.9
405	S	24	Very low	23.2	Very low	112 Å²	112	162 Å²	162	78%	0.783	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-65.9	156.9	-172.6	-69.1	0	0	0	0	114.7
406	Q	19.7	Very low	23.1	Very low	171 Å²	171	162.1 Å²	162.1	80%	0.799	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-59.5	152.6	164.2	-63.2	171.1	-92	0	0	112.3
407	P	25.3	Very low	23.3	Very low	126 Å²	126	162 Å²	162	82%	0.818	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-97	134	149	17.5	0.5	0	0	0	110.6
408	D	22.8	Very low	23.3	Very low	134 Å²	134	155.7 Å²	155.7	72%	0.717	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-73.8	151.3	-178.8	-58.9	-58.7	0	0	0	113.8
409	D	20.7	Very low	23.3	Very low	143 Å²	143	162.8 Å²	162.8	77%	0.765	82%	0.822	S	S	*	*			trans	41.9	115.2	140.8	-58.3	-31.9	0	0	0	121.5
410	E	25.1	Very low	23.2	Very low	205 Å²	205	169 Å²	169	96%	0.958	83%	0.829	S	S	*	*			trans	-142.8	105.3	139.5	-125.7	176.7	-177.5	0	0	109.5
411	E	20.1	Very low	23.3	Very low	168 Å²	168	167.3 Å²	167.3	79%	0.785	83%	0.831	S	S	*	*			trans	-83.2	161.5	173	-74.4	-169.4	126.6	0	0	112.2
412	V	24.5	Very low	23.4	Very low	125 Å²	125	168.6 Å²	168.6	76%	0.758	83%	0.833	S	S	*	*			trans	97.6	144.3	151.6	-168.8	0	0	0	0	117.3
413	P	30.7	Very low	23.6	Very low	110 Å²	110	163.9 Å²	163.9	71%	0.714	83%	0.829	S	S	*	*			cis	-123.6	157.6	-7	20	2.5	0	0	0	116.9
414	K	21.9	Very low	23.9	Very low	206 Å²	206	160.4 Å²	160.4	90%	0.896	83%	0.827	S	S	*	*			trans	-70.2	125.9	167.3	-64.4	164.9	178.9	167	0	111.7
415	H	25.9	Very low	23.8	Very low	190 Å²	190	157.6 Å²	157.6	88%	0.88	82%	0.821	S	S	*	*			trans	-91	113.9	158.9	-105.1	-78.3	0	0	0	110.1
416	K	20.1	Very low	24.1	Very low	196 Å²	196	158 Å²	158	85%	0.852	82%	0.818	S	S	*	*			trans	-79.9	127.5	165.9	-76.3	174.5	174.5	174.3	0	109.1
417	T	25.2	Very low	24.5	Very low	137 Å²	137	156.6 Å²	156.6	84%	0.84	82%	0.816	S	S	*	*			trans	-150.6	119.8	147.1	30.3	0	0	0	0	111.8
418	S	24.2	Very low	24.3	Very low	116 Å²	116	157 Å²	157	81%	0.811	81%	0.811	S	S	*	*			trans	59.2	108	148.7	-158	0	0	0	0	122.1
419	R	22.3	Very low	24.5	Very low	225 Å²	225	159.9 Å²	159.9	85%	0.849	82%	0.818	S	S	*	*			trans	-37.4	153.2	148.6	-92.2	171.2	174	170.9	-1.8	113.7
420	F	23.9	Very low	24.6	Very low	202 Å²	202	158.1 Å²	158.1	89%	0.886	81%	0.812	S	S	*	*			trans	95.8	59.5	177.2	-75.9	-87.7	0	0	0	117.2
421	S	24.6	Very low	24.7	Very low	126 Å²	126	155.7 Å²	155.7	88%	0.881	81%	0.805	S	S	*	*			trans	-166.6	66	141.9	-84.9	0	0	0	0	110.4
422	E	23.8	Very low	24.7	Very low	197 Å²	197	153.1 Å²	153.1	92%	0.921	80%	0.804	S	S	*	*			trans	-106.4	72.1	164.8	-87.2	-176.6	148.4	0	0	108.9
423	V	25.5	Very low	24.7	Very low	129 Å²	129	156.2 Å²	156.2	78%	0.782	81%	0.811	S	S	*	*	S	Bend	trans	-147.3	113.9	156	-173.1	0	0	0	0	107.6
424	L	25.5	Very low	24.2	Very low	154 Å²	154	160.9 Å²	160.9	81%	0.806	82%	0.82	S	S	*	*			trans	77.9	60.8	172.1	-63.7	150	0	0	0	116.8
425	D	24.5	Very low	24.4	Very low	137 Å²	137	156 Å²	156	73%	0.733	81%	0.812	S	S	*	*			trans	-81.9	113.9	152.9	-155.3	-11.5	0	0	0	108.9	D427	D425-D427 VanDerWaalsContact C-N 3.29Å
426	V	30.5	Very low	24.5	Very low	121 Å²	121	153 Å²	153	73%	0.733	81%	0.809	S	S	*	*			trans	-89.1	4.2	-172.4	179.4	0	0	0	0	111.6
427	D	26.9	Very low	24.7	Very low	141 Å²	141	151.6 Å²	151.6	75%	0.754	81%	0.809	S	S	*	*	S	Bend	trans	-99	10.5	-173.2	-74.7	-23.8	0	0	0	115.8	D425	D425-D427 VanDerWaalsContact C-N 3.29Å
428	N	22.1	Very low	24.6	Very low	134 Å²	134	153.8 Å²	153.8	72%	0.717	81%	0.81	S	S	*	*			trans	-124.7	82.6	173.6	-91.6	-24.1	0	0	0	113.6	T430	N428-T430 PolarHBondContact O-N 2.96Å
429	F	27	Very low	24.8	Very low	195 Å²	195	154.3 Å²	154.3	86%	0.855	81%	0.811	S	S	*	*			trans	-94	68.8	157.5	-128.6	-86.6	0	0	0	109.1	L431	F429-L431 HydrophobicContact CD1-CD1 4.34Å; F429-L431 HydrophobicContact CE1-CD1 4.46Å; F429-L431 PolarHBondContact O-N 2.86Å
430	T	23.3	Very low	24.9	Very low	106 Å²	106	153 Å²	153	65%	0.65	81%	0.814	S	S	*	*			trans	-80.8	92.4	168	15.8	0	0	0	0	108.9	N428 C432	N428-T430 PolarHBondContact O-N 2.96Å; T430-C432 VanDerWaalsContact C-N 3.26Å; T430-C432 PolarHBondContact O-N 3.03Å
431	L	26.7	Very low	25	Very low	155 Å²	155	146.6 Å²	146.6	81%	0.812	81%	0.805	S	S	*	*			trans	-66.2	90.5	158.9	-99.2	146.9	0	0	0	108.1	F429 Q433	F429-L431 HydrophobicContact CD1-CD1 4.34Å; F429-L431 HydrophobicContact CE1-CD1 4.46Å; F429-L431 PolarHBondContact O-N 2.86Å; L431-Q433 PolarHBondContact O-N 3.22Å
432	C	20.1	Very low	25	Very low	113 Å²	113	145.5 Å²	145.5	76%	0.764	80%	0.798	S	S	*	*			trans	-73.8	113.4	164.3	-77.6	0	0	0	0	109.2	T430	T430-C432 VanDerWaalsContact C-N 3.26Å; T430-C432 PolarHBondContact O-N 3.03Å
433	Q	23.8	Very low	25.1	Very low	190 Å²	190	144.2 Å²	144.2	89%	0.888	80%	0.797	S	S	*	*			trans	-133.6	106.4	147.3	-141.6	171.8	-6.4	0	0	108.1	L431	L431-Q433 PolarHBondContact O-N 3.22Å
434	K	20.8	Very low	25.1	Very low	208 Å²	208	147.5 Å²	147.5	90%	0.904	80%	0.801	S	S	*	*			trans	-66.5	129.7	176.9	-80.7	175.7	171.7	177.1	0	110.3
435	S	25.4	Very low	25	Very low	105 Å²	105	150.2 Å²	150.2	73%	0.734	81%	0.807	S	S	*	*			trans	-158.3	147.2	135.2	55.9	0	0	0	0	109.4
436	P	28.1	Very low	25.1	Very low	126 Å²	126	150.8 Å²	150.8	82%	0.818	81%	0.809	S	S	*	*			trans	-97.3	124.1	-158.1	34	-26.5	0	0	0	111.7
437	I	24.6	Very low	24.7	Very low	167 Å²	167	151 Å²	151	86%	0.856	80%	0.802	S	S	*	*			trans	-142.4	125.3	168.8	-54.6	179.5	0	0	0	109.7
438	E	23.7	Very low	24.9	Very low	182 Å²	182	149.5 Å²	149.5	85%	0.85	80%	0.799	S	S	*	*			trans	-59	163.4	173.4	-79.8	-178.7	150.5	0	0	114	E440	E438-E440 PolarHBondContact O-N 3.21Å
439	P	27.4	Very low	25.1	Very low	128 Å²	128	148.8 Å²	148.8	83%	0.831	80%	0.8	S	S	*	*			trans	-94.3	108.8	-160.2	34.7	-27.7	0	0	0	112.1
440	E	24.1	Very low	25.1	Very low	196 Å²	196	145.4 Å²	145.4	92%	0.916	79%	0.79	S	S	*	*			trans	-124.5	120.3	155.2	-82.4	-162.9	158.3	0	0	111.3	E438	E438-E440 PolarHBondContact O-N 3.21Å
441	G	25.9	Very low	25.2	Very low	68 Å²	68	143.7 Å²	143.7	70%	0.701	79%	0.787	S	S	*	*	S	Bend	trans	55.9	98.9	136.6	0	0	0	0	0	118.8
442	S	26.4	Very low	25.2	Very low	104 Å²	104	144.9 Å²	144.9	73%	0.727	79%	0.788	S	S	*	*	S	Bend	trans	62.4	94.8	143.5	62.6	0	0	0	0	118.1	K444	S442-K444 PolarHBondContact O-N 3.31Å
443	N	25.1	Very low	25.5	Very low	170 Å²	170	144.7 Å²	144.7	91%	0.909	78%	0.778	S	S	*	*			trans	37.5	72.7	135	-68.2	-15.2	0	0	0	117.1
444	K	24.7	Very low	25.6	Very low	198 Å²	198	140.8 Å²	140.8	86%	0.861	77%	0.772	S	S	*	*			trans	-106.3	7.2	163	-87.2	-174.3	178.4	176.1	0	115.4	S442 L446	S442-K444 PolarHBondContact O-N 3.31Å; K444-L446 VanDerWaalsContact C-N 3.35Å; K444-L446 PolarHBondContact O-N 3.01Å
445	F	24.7	Very low	25.8	Very low	211 Å²	211	139.9 Å²	139.9	93%	0.925	77%	0.771	S	S	*	*			trans	-94.4	56.5	173.5	-85.2	-82.2	0	0	0	113.1
446	L	25.4	Very low	25.9	Very low	148 Å²	148	140.7 Å²	140.7	78%	0.775	77%	0.772	S	S	*	*			trans	-145.1	58.4	170.6	-127.6	131	0	0	0	111	K444	K444-L446 VanDerWaalsContact C-N 3.35Å; K444-L446 PolarHBondContact O-N 3.01Å
447	H	23.5	Very low	25.8	Very low	126 Å²	126	140.4 Å²	140.4	58%	0.583	76%	0.764	S	S	*	*			trans	-166.3	132.3	160.1	-118.9	-94.9	0	0	0	107.5
448	P	30.6	Very low	26.1	Very low	109 Å²	109	138.1 Å²	138.1	71%	0.708	76%	0.76	S	S	*	*	S	Bend		-146.1	36.9	66.5	39.4	-18.5	0	0	0	116.4
449	T	26	Very low	26.2	Very low	119 Å²	119	136.3 Å²	136.3	73%	0.73	76%	0.756	S	S	*	*	S	Bend	trans	-92	-15.6	175.6	-26.1	0	0	0	0	114
450	L	27.3	Very low	26.3	Very low	124 Å²	124	135.9 Å²	135.9	65%	0.649	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-11.3	179.9	-81.6	167.5	0	0	0	114.4
451	A	26	Very low	26.4	Very low	70 Å²	70	133 Å²	133	58%	0.579	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-18.9	-177.6	0	0	0	0	0	114.3
452	Q	24.7	Very low	26.5	Very low	181 Å²	181	132.2 Å²	132.2	85%	0.846	73%	0.73	S	S	*	*	S	Bend	trans	-98.8	5.3	-175.7	-73.3	-164.2	-41.7	0	0	115.2
453	I	27.2	Very low	26.7	Very low	108 Å²	108	132.9 Å²	132.9	55%	0.554	73%	0.731	S	S	*	*	S	Bend	trans	-104.2	3.8	-179.6	-57	177.3	0	0	0	112.1	E455	I453-E455 PolarHBondContact O-N 3.17Å
454	S	26.2	Very low	27.2	Very low	109 Å²	109	127.9 Å²	127.9	76%	0.762	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	0.4	178.6	-173.7	0	0	0	0	115.1
455	E	24.8	Very low	27.6	Very low	189 Å²	189	122.9 Å²	122.9	88%	0.883	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.9	10.8	-174.5	-72.9	-171.9	170.8	0	0	115.5	I453 D457	I453-E455 PolarHBondContact O-N 3.17Å; E455-D457 PolarHBondContact O-N 2.98Å
456	T	27	Very low	28	Very low	122 Å²	122	120.3 Å²	120.3	75%	0.748	69%	0.686	S	S	*	*			trans	-83.4	105	171.3	21.2	0	0	0	0	111.7
457	D	25.9	Very low	28.6	Very low	120 Å²	120	116.8 Å²	116.8	64%	0.642	67%	0.674	S	S	*	*			trans	-38.9	130.4	174	-152.8	-12.2	0	0	0	113.5	E455 N459	E455-D457 PolarHBondContact O-N 2.98Å; D457-N459 PolarHBondContact O-N 3.26Å
458	P	30.8	Very low	29.5	Very low	119 Å²	119	113.2 Å²	113.2	77%	0.773	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-4.7	-170.7	-19.5	31.8	0	0	0	116.1
459	N	26.7	Very low	29.7	Very low	143 Å²	143	116 Å²	116	77%	0.765	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	3.7	-173.1	-81.3	-19.2	0	0	0	115.4	D457 T461	D457-N459 PolarHBondContact O-N 3.26Å; N459-T461 PolarHBondContact O-N 3.25Å
460	T	29.5	Very low	30.3	Very low	119 Å²	119	112.8 Å²	112.8	73%	0.73	65%	0.646	S	S	*	*			trans	-97	89	175.3	-37	0	0	0	0	111	S462	T460-S462 VanDerWaalsContact C-N 3.27Å; T460-S462 PolarHBondContact O-N 3.34Å
461	T	26.8	Very low	31.2	Very low	136 Å²	136	109 Å²	109	83%	0.834	62%	0.622	S	S	*	*			trans	-68.9	75.3	174.6	31	0	0	0	0	111.7	N459	N459-T461 PolarHBondContact O-N 3.25Å
462	S	28.1	Very low	32.3	Very low	51 Å²	51	107.9 Å²	107.9	36%	0.357	61%	0.607	S	S	.	*			trans	-103.5	80.5	166.2	179.6	0	0	0	0	109.9	T460 A464 D465	T460-S462 VanDerWaalsContact C-N 3.27Å; T460-S462 PolarHBondContact O-N 3.34Å; S462-A464 PolarHBondContact O-N 3.42Å; S462-D465 PolarHBondContact O-N 3.24Å; S462-D465 PolarHBondContact OG-OD2 2.98Å
463	T	30.5	Very low	33.2	Very low	119 Å²	119	105.5 Å²	105.5	73%	0.73	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-5.7	180	52.1	0	0	0	0	115
464	A	35.5	Very low	34.1	Very low	64 Å²	64	100.5 Å²	100.5	53%	0.529	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.7	-33.6	179	0	0	0	0	0	112.7	S462 S467	S462-A464 PolarHBondContact O-N 3.42Å; A464-S467 PolarHBondContact O-OG 3.41Å
465	D	32.4	Very low	35.4	Very low	93 Å²	93	97.8 Å²	97.8	50%	0.497	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-38.8	-169.2	-70	-40.2	0	0	0	113	S462 S467 C468 Y469	S462-D465 PolarHBondContact O-N 3.24Å; S462-D465 PolarHBondContact OG-OD2 2.98Å; D465-S467 PolarHBondContact O-N 2.94Å; D465-C468 WeakPolarHBondContact O-CB 3.38Å; D465-C468 PolarHBondContact O-N 3.44Å; D465-Y469 WeakPolarHBondContact O-CD2 3.49Å; D465-Y469 PolarHBondContact O-N 3.22Å
466	E	32.7	Very low	36.6	Very low	158 Å²	158	92.2 Å²	92.2	74%	0.738	53%	0.527	S	S	*	.	H	α-helix	trans	-60.8	-31.1	176	-73.1	-177.6	146.8	0	0	112.9	C468 A470	E466-C468 VanDerWaalsContact C-N 3.28Å; E466-C468 PolarHBondContact O-N 3.46Å; E466-A470 PolarHBondContact O-N 2.94Å
467	S	38.9	Very low	37.4	Very low	74 Å²	74	88.9 Å²	88.9	52%	0.517	50%	0.503	S	S	.	.	H	α-helix	trans	-73.8	-19.5	178.8	80.8	0	0	0	0	113.6	A464 D465 R471	A464-S467 PolarHBondContact O-OG 3.41Å; D465-S467 PolarHBondContact O-N 2.94Å; S467-R471 WeakPolarHBondContact O-CB 3.37Å
468	C	41.7	Very low	38.4	Very low	50 Å²	50	84.5 Å²	84.5	34%	0.338	48%	0.479	S	S	.	.	H	α-helix	trans	-85.4	-47.7	-179.4	-122.4	0	0	0	0	110.9	D465 E466 A470 R471 D472	D465-C468 WeakPolarHBondContact O-CB 3.38Å; D465-C468 PolarHBondContact O-N 3.44Å; E466-C468 VanDerWaalsContact C-N 3.28Å; E466-C468 PolarHBondContact O-N 3.46Å; C468-A470 VanDerWaalsContact C-N 3.34Å; C468-A470 PolarHBondContact O-N 2.95Å; C468-R471 WeakPolarHBondContact O-CA 3.19Å; C468-R471 WeakPolarHBondContact O-CB 3.3Å; C468-R471 PolarHBondContact O-N 2.75Å; C468-D472 PolarHBondContact O-N 3.01Å
469	Y	35.4	Very low	39.7	Very low	169 Å²	169	81.7 Å²	81.7	66%	0.663	47%	0.466	S	S	*	.	H	α-helix	trans	-61	-41	178.1	-76.4	-77.7	0	0	0	112.6	D465 R471 D472 E473	D465-Y469 WeakPolarHBondContact O-CD2 3.49Å; D465-Y469 PolarHBondContact O-N 3.22Å; Y469-R471 PolarHBondContact O-N 3.45Å; Y469-D472 PolarHBondContact O-N 3.19Å; Y469-E473 PolarHBondContact O-N 3.42Å; Y469-E473 VanDerWaalsContact O-N 3.15Å
470	A	37.5	Very low	40.7	Very low	51 Å²	51	77.1 Å²	77.1	42%	0.421	45%	0.448	S	S	.	.	H	α-helix	trans	-64.7	-20.8	174.9	0	0	0	0	0	113.9	E466 C468 L474	E466-A470 PolarHBondContact O-N 2.94Å; C468-A470 VanDerWaalsContact C-N 3.34Å; C468-A470 PolarHBondContact O-N 2.95Å; A470-L474 VanDerWaalsContact O-CB 3.24Å; A470-L474 WeakPolarHBondContact O-CB 3.46Å; A470-L474 PolarHBondContact O-N 3.34Å
471	R	46	Very low	41.5	Very low	44 Å²	44	71.6 Å²	71.6	17%	0.166	41%	0.414	C	S	.	.	H	α-helix	trans	-85.1	-29.8	-179	-164.1	-175.8	-165.5	148.7	2.6	112.2	S467 C468 Y469 L474 F475 L575 E579	S467-R471 WeakPolarHBondContact O-CB 3.37Å; C468-R471 WeakPolarHBondContact O-CA 3.19Å; C468-R471 WeakPolarHBondContact O-CB 3.3Å; C468-R471 PolarHBondContact O-N 2.75Å; Y469-R471 PolarHBondContact O-N 3.45Å; R471-L474 WeakPolarHBondContact O-CB 3.42Å; R471-F475 HydrophobicContact CG-CE2 4.37Å; R471-F475 WeakPolarHBondContact O-CD2 3.46Å; R471-F475 PolarHBondContact O-N 2.91Å; R471-L575 HydrophobicContact CG-CD2 3.89Å; R471-E579 IonicContact NH2-OE1 3.53Å; R471-E579 PolarHBondContact NH2-OE1 3.39Å; R471-E579 VanDerWaalsContact NH2-OE1 3.14Å
472	D	50.5	Low	43	Very low	46 Å²	46	69.1 Å²	69.1	25%	0.246	40%	0.396	C	S	.	.	H	α-helix	trans	-85.4	-40.3	-178.6	-64.7	-9.8	0	0	0	110.5	L197 C468 Y469 L474 F475 S476	L197-D472 HydrophobicContact CD2-CB 3.62Å; L197-D472 WeakPolarHBondContact CD2-OD1 3.36Å; C468-D472 PolarHBondContact O-N 3.01Å; Y469-D472 PolarHBondContact O-N 3.19Å; D472-L474 PolarHBondContact O-N 2.91Å; D472-F475 PolarHBondContact O-N 3.43Å; D472-F475 VanDerWaalsContact O-N 3.15Å; D472-S476 PolarHBondContact O-N 3.22Å; D472-S476 VanDerWaalsContact O-N 3.15Å
473	E	43.6	Very low	44.4	Very low	131 Å²	131	73.2 Å²	73.2	61%	0.612	41%	0.407	S	S	*	.	H	α-helix	trans	-55.8	-41.8	166.2	-165.1	-179.6	-174.8	0	0	110.1	Y469 F475 S476 M477	Y469-E473 PolarHBondContact O-N 3.42Å; Y469-E473 VanDerWaalsContact O-N 3.15Å; E473-F475 PolarHBondContact O-N 3.44Å; E473-S476 PolarHBondContact O-N 2.82Å; E473-S476 PolarHBondContact O-OG 3.07Å; E473-M477 WeakPolarHBondContact O-CB 3.25Å; E473-M477 PolarHBondContact O-N 3.46Å
474	L	45.5	Very low	45.2	Very low	4 Å²	4	71.2 Å²	71.2	2%	0.021	39%	0.39	C	S	.	.	H	α-helix	trans	-58.7	-41.9	174.6	165.4	71.1	0	0	0	114	A470 R471 D472 M477 I478 S568 V571 A572	A470-L474 VanDerWaalsContact O-CB 3.24Å; A470-L474 WeakPolarHBondContact O-CB 3.46Å; A470-L474 PolarHBondContact O-N 3.34Å; R471-L474 WeakPolarHBondContact O-CB 3.42Å; D472-L474 PolarHBondContact O-N 2.91Å; L474-M477 CarbonylContact O-C 3.58Å; L474-M477 PolarHBondContact O-N 3.42Å; L474-I478 HydrophobicContact CD1-CD1 3.77Å; L474-I478 HydrophobicContact CD1-CG1 4Å; L474-I478 HydrophobicContact CG-CD1 3.87Å; L474-I478 HydrophobicContact CG-CG1 4.47Å; L474-I478 WeakPolarHBondContact O-CB 3.32Å; L474-I478 WeakPolarHBondContact O-CG1 3.29Å; L474-I478 PolarHBondContact O-N 3.27Å; L474-S568 VanDerWaalsContact CD1-C 3.44Å; L474-S568 VanDerWaalsContact CD1-CB 3.41Å; L474-S568 WeakPolarHBondContact CD1-O 3.43Å; L474-V571 HydrophobicContact CD2-CB 4.37Å; L474-V571 HydrophobicContact CD2-CG1 3.98Å; L474-A572 HydrophobicContact CD1-CB 4.12Å; L474-A572 HydrophobicContact CD2-CB 3.84Å; L474-A572 HydrophobicContact CG-CB 4.42Å
475	F	53.3	Low	45.9	Very low	52 Å²	52	68.6 Å²	68.6	23%	0.228	37%	0.368	C	S	.	.	H	α-helix	trans	-69.1	-41	177.9	-81.6	-68.8	0	0	0	111.5	P196 L197 R471 D472 E473 M477 I478 A479	P196-F475 HydrophobicContact CB-CE2 3.98Å; P196-F475 HydrophobicContact CB-CZ 4.4Å; P196-F475 HydrophobicContact CG-CD2 4.43Å; P196-F475 HydrophobicContact CG-CE2 3.94Å; P196-F475 HydrophobicContact CG-CZ 4.07Å; L197-F475 HydrophobicContact CD2-CD2 4.23Å; R471-F475 HydrophobicContact CG-CE2 4.37Å; R471-F475 WeakPolarHBondContact O-CD2 3.46Å; R471-F475 PolarHBondContact O-N 2.91Å; D472-F475 PolarHBondContact O-N 3.43Å; D472-F475 VanDerWaalsContact O-N 3.15Å; E473-F475 PolarHBondContact O-N 3.44Å; F475-M477 VanDerWaalsContact C-N 3.27Å; F475-M477 PolarHBondContact O-N 3.46Å; F475-I478 PolarHBondContact O-N 3.09Å; F475-A479 PolarHBondContact O-N 3.07Å
476	S	50.7	Low	47	Very low	72 Å²	72	67.3 Å²	67.3	50%	0.503	37%	0.366	S	S	.	.	H	α-helix	trans	-62.1	-39	172.9	82.3	0	0	0	0	111.4	D472 E473 A479 A480	D472-S476 PolarHBondContact O-N 3.22Å; D472-S476 VanDerWaalsContact O-N 3.15Å; E473-S476 PolarHBondContact O-N 2.82Å; E473-S476 PolarHBondContact O-OG 3.07Å; S476-A479 PolarHBondContact O-N 3.14Å; S476-A480 VanDerWaalsContact O-CB 3.31Å; S476-A480 WeakPolarHBondContact O-CB 3.43Å; S476-A480 PolarHBondContact O-N 3.02Å
477	M	42.7	Very low	47.9	Very low	51 Å²	51	64 Å²	64	25%	0.251	35%	0.35	S	S	.	.	H	α-helix	trans	-72.7	-36.1	179.4	-164.4	173.9	147.5	0	0	110.7	E473 L474 F475 A480 I481 K564 S568	E473-M477 WeakPolarHBondContact O-CB 3.25Å; E473-M477 PolarHBondContact O-N 3.46Å; L474-M477 CarbonylContact O-C 3.58Å; L474-M477 PolarHBondContact O-N 3.42Å; F475-M477 VanDerWaalsContact C-N 3.27Å; F475-M477 PolarHBondContact O-N 3.46Å; M477-A480 CarbonylContact O-C 3.57Å; M477-A480 PolarHBondContact O-N 3.29Å; M477-I481 HydrophobicContact CE-CD1 4.45Å; M477-I481 HydrophobicContact CG-CD1 3.98Å; M477-I481 HydrophobicContact CG-CG1 4.47Å; M477-I481 VanDerWaalsContact O-CB 3.25Å; M477-I481 WeakPolarHBondContact O-CB 3.43Å; M477-I481 WeakPolarHBondContact O-CD1 3.5Å; M477-I481 WeakPolarHBondContact O-CG1 3.36Å; M477-I481 PolarHBondContact O-N 3.35Å; M477-K564 HydrophobicContact CE-CB 4.32Å; M477-K564 WeakPolarHBondContact CE-O 3.33Å; M477-S568 WeakPolarHBondContact CE-OG 3.49Å
478	I	48.3	Very low	48.2	Very low	29 Å²	29	64 Å²	64	15%	0.149	34%	0.343	C	S	.	.	H	α-helix	trans	-63.7	-43.6	170.6	-74.2	163.4	0	0	0	110.7	L291 L474 F475 I481 N482 A572	L291-I478 HydrophobicContact CD1-CG1 4.21Å; L291-I478 HydrophobicContact CD1-CG2 4.13Å; L474-I478 HydrophobicContact CD1-CD1 3.77Å; L474-I478 HydrophobicContact CD1-CG1 4Å; L474-I478 HydrophobicContact CG-CD1 3.87Å; L474-I478 HydrophobicContact CG-CG1 4.47Å; L474-I478 WeakPolarHBondContact O-CB 3.32Å; L474-I478 WeakPolarHBondContact O-CG1 3.29Å; L474-I478 PolarHBondContact O-N 3.27Å; F475-I478 PolarHBondContact O-N 3.09Å; I478-I481 PolarHBondContact O-N 3.29Å; I478-N482 WeakPolarHBondContact O-CB 3.47Å; I478-N482 PolarHBondContact O-N 2.96Å; I478-A572 HydrophobicContact CD1-CB 4.22Å
479	A	56.8	Low	48.7	Very low	59 Å²	59	65.9 Å²	65.9	49%	0.488	35%	0.347	S	S	.	.	H	α-helix	trans	-63.4	-43.2	175.1	0	0	0	0	0	111.1	F475 S476 N482 K483	F475-A479 PolarHBondContact O-N 3.07Å; S476-A479 PolarHBondContact O-N 3.14Å; A479-N482 PolarHBondContact O-N 3.27Å; A479-K483 WeakPolarHBondContact O-CB 3.36Å; A479-K483 PolarHBondContact O-N 2.86Å
480	A	48	Very low	49.6	Very low	47 Å²	47	60.9 Å²	60.9	39%	0.388	34%	0.337	S	S	.	.	H	α-helix	trans	-65.9	-37.5	174.6	0	0	0	0	0	112.4	S476 M477 K483 E484	S476-A480 VanDerWaalsContact O-CB 3.31Å; S476-A480 WeakPolarHBondContact O-CB 3.43Å; S476-A480 PolarHBondContact O-N 3.02Å; M477-A480 CarbonylContact O-C 3.57Å; M477-A480 PolarHBondContact O-N 3.29Å; A480-K483 CarbonylContact O-C 3.57Å; A480-K483 PolarHBondContact O-N 3.37Å; A480-E484 WeakPolarHBondContact O-CB 3.39Å; A480-E484 WeakPolarHBondContact O-CG 3.32Å; A480-E484 PolarHBondContact O-N 3.38Å
481	I	47.5	Very low	50.1	Low	4 Å²	4	64.7 Å²	64.7	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-69.8	-40.5	175	-68.4	155.3	0	0	0	109.9	L291 M477 I478 K483 E484 A485 M565	L291-I481 HydrophobicContact CD2-CB 4.45Å; L291-I481 HydrophobicContact CD2-CG2 3.54Å; M477-I481 HydrophobicContact CE-CD1 4.45Å; M477-I481 HydrophobicContact CG-CD1 3.98Å; M477-I481 HydrophobicContact CG-CG1 4.47Å; M477-I481 VanDerWaalsContact O-CB 3.25Å; M477-I481 WeakPolarHBondContact O-CB 3.43Å; M477-I481 WeakPolarHBondContact O-CD1 3.5Å; M477-I481 WeakPolarHBondContact O-CG1 3.36Å; M477-I481 PolarHBondContact O-N 3.35Å; I478-I481 PolarHBondContact O-N 3.29Å; I481-K483 VanDerWaalsContact C-N 3.27Å; I481-K483 PolarHBondContact O-N 2.96Å; I481-E484 PolarHBondContact O-N 3.42Å; I481-A485 WeakPolarHBondContact O-CA 3.34Å; I481-A485 WeakPolarHBondContact O-CB 3.33Å; I481-A485 PolarHBondContact O-N 3.23Å; I481-M565 HydrophobicContact CD1-CB 4.42Å; I481-M565 HydrophobicContact CD1-CE 4.37Å; I481-M565 HydrophobicContact CD1-CG 3.59Å; I481-M565 HydrophobicContact CD1-SD 4.36Å; I481-M565 HydrophobicContact CG1-CE 3.81Å; I481-M565 HydrophobicContact CG1-CG 4.11Å; I481-M565 HydrophobicContact CG1-SD 4.31Å; I481-M565 HydrophobicContact CG2-CE 3.96Å; I481-M565 HydrophobicContact CG2-SD 3.94Å
482	N	56.7	Low	50.2	Low	84 Å²	84	67.5 Å²	67.5	45%	0.449	36%	0.362	S	S	.	.	H	α-helix	trans	-61.9	-40.5	173.7	-80.2	-9.7	0	0	0	110.3	I478 A479 S486	I478-N482 WeakPolarHBondContact O-CB 3.47Å; I478-N482 PolarHBondContact O-N 2.96Å; A479-N482 PolarHBondContact O-N 3.27Å; N482-S486 VanDerWaalsContact O-CB 3.3Å; N482-S486 WeakPolarHBondContact O-CB 3.44Å; N482-S486 PolarHBondContact O-N 3.2Å; N482-S486 PolarHBondContact O-OG 2.86Å
483	K	57.5	Low	50.2	Low	136 Å²	136	71.5 Å²	71.5	59%	0.591	38%	0.379	S	S	*	.	H	α-helix	trans	-64.3	-53	173.5	-170.2	179	177.8	-179.8	0	111.9	A479 A480 I481 A485 S486 E487	A479-K483 WeakPolarHBondContact O-CB 3.36Å; A479-K483 PolarHBondContact O-N 2.86Å; A480-K483 CarbonylContact O-C 3.57Å; A480-K483 PolarHBondContact O-N 3.37Å; I481-K483 VanDerWaalsContact C-N 3.27Å; I481-K483 PolarHBondContact O-N 2.96Å; K483-A485 VanDerWaalsContact C-N 3.33Å; K483-A485 PolarHBondContact O-N 3.38Å; K483-S486 PolarHBondContact O-N 3.22Å; K483-S486 PolarHBondContact O-OG 3.16Å; K483-E487 PolarHBondContact O-N 3.1Å
484	E	48.5	Very low	50.5	Low	78 Å²	78	67.9 Å²	67.9	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-64.5	-34.3	178.1	-76.3	-172.3	169.5	0	0	112.5	A480 I481 E487 M488	A480-E484 WeakPolarHBondContact O-CB 3.39Å; A480-E484 WeakPolarHBondContact O-CG 3.32Å; A480-E484 PolarHBondContact O-N 3.38Å; I481-E484 PolarHBondContact O-N 3.42Å; E484-E487 PolarHBondContact O-N 3.03Å; E484-M488 HydrophobicContact CB-CE 4.15Å; E484-M488 VanDerWaalsContact O-CB 3.31Å; E484-M488 WeakPolarHBondContact O-CB 3.26Å; E484-M488 WeakPolarHBondContact O-CE 3.35Å; E484-M488 WeakPolarHBondContact O-CG 3.44Å; E484-M488 PolarHBondContact O-N 3.28Å
485	A	49.1	Very low	50.7	Low	9 Å²	9	72.6 Å²	72.6	7%	0.074	40%	0.396	C	S	.	.	H	α-helix	trans	-70.7	-39.9	174.7	0	0	0	0	0	110.6	F294 I481 K483 E487 M488 E489	F294-A485 HydrophobicContact CD1-CB 4.22Å; F294-A485 HydrophobicContact CD2-CB 4Å; F294-A485 HydrophobicContact CE1-CB 3.95Å; F294-A485 HydrophobicContact CE2-CB 3.73Å; F294-A485 HydrophobicContact CG-CB 4.26Å; F294-A485 HydrophobicContact CZ-CB 3.71Å; I481-A485 WeakPolarHBondContact O-CA 3.34Å; I481-A485 WeakPolarHBondContact O-CB 3.33Å; I481-A485 PolarHBondContact O-N 3.23Å; K483-A485 VanDerWaalsContact C-N 3.33Å; K483-A485 PolarHBondContact O-N 3.38Å; A485-E487 VanDerWaalsContact C-N 3.32Å; A485-M488 PolarHBondContact O-N 3.06Å; A485-E489 VanDerWaalsContact O-CB 3.32Å; A485-E489 WeakPolarHBondContact O-CB 3.36Å; A485-E489 WeakPolarHBondContact O-CG 3.19Å; A485-E489 PolarHBondContact O-N 3.06Å
486	S	55.9	Low	50.5	Low	66 Å²	66	72.7 Å²	72.7	46%	0.462	40%	0.403	S	S	.	.	H	α-helix	trans	-63.6	-38	171.6	71.1	0	0	0	0	112	N482 K483 S490	N482-S486 VanDerWaalsContact O-CB 3.3Å; N482-S486 WeakPolarHBondContact O-CB 3.44Å; N482-S486 PolarHBondContact O-N 3.2Å; N482-S486 PolarHBondContact O-OG 2.86Å; K483-S486 PolarHBondContact O-N 3.22Å; K483-S486 PolarHBondContact O-OG 3.16Å; S486-S490 WeakPolarHBondContact O-CB 3.5Å; S486-S490 PolarHBondContact O-N 2.97Å; S486-S490 PolarHBondContact O-OG 3.04Å
487	E	52.9	Low	50.5	Low	87 Å²	87	73.9 Å²	73.9	41%	0.407	40%	0.403	S	S	.	.	H	α-helix	trans	-68.8	-35	172.6	-74.8	178.2	-161.1	0	0	112.6	K483 E484 A485 S490 K491	K483-E487 PolarHBondContact O-N 3.1Å; E484-E487 PolarHBondContact O-N 3.03Å; A485-E487 VanDerWaalsContact C-N 3.32Å; E487-S490 WeakPolarHBondContact CA-OG 3.4Å; E487-S490 PolarHBondContact O-OG 2.61Å; E487-K491 WeakPolarHBondContact O-CB 2.99Å; E487-K491 WeakPolarHBondContact O-CD 3.19Å; E487-K491 WeakPolarHBondContact O-CG 3.16Å; E487-K491 PolarHBondContact O-N 3.3Å; E487-K491 VanDerWaalsContact O-N 3.11Å
488	M	45.1	Very low	50.7	Low	75 Å²	75	76 Å²	76	37%	0.369	42%	0.416	S	S	.	.	H	α-helix	trans	-77.8	-36.9	177.1	-83.7	-172.8	-85.9	0	0	112.6	F294 E484 A485 K491 L492	F294-M488 HydrophobicContact CE1-CE 3.85Å; F294-M488 HydrophobicContact CE2-CB 4.38Å; F294-M488 HydrophobicContact CZ-CB 4.11Å; F294-M488 HydrophobicContact CZ-CE 3.5Å; F294-M488 HydrophobicContact CZ-SD 3.94Å; E484-M488 HydrophobicContact CB-CE 4.15Å; E484-M488 VanDerWaalsContact O-CB 3.31Å; E484-M488 WeakPolarHBondContact O-CB 3.26Å; E484-M488 WeakPolarHBondContact O-CE 3.35Å; E484-M488 WeakPolarHBondContact O-CG 3.44Å; E484-M488 PolarHBondContact O-N 3.28Å; A485-M488 PolarHBondContact O-N 3.06Å; M488-K491 PolarHBondContact O-N 3.45Å; M488-L492 VanDerWaalsContact O-CB 3.22Å; M488-L492 WeakPolarHBondContact O-CB 3.42Å; M488-L492 PolarHBondContact O-N 2.86Å
489	E	51.5	Low	50.4	Low	89 Å²	89	83.5 Å²	83.5	42%	0.416	44%	0.442	S	S	.	.	H	α-helix	trans	-66.3	-45	174.6	-77.8	-177.6	166.8	0	0	110.1	F294 R297 A485 K491 L492 E493	F294-E489 HydrophobicContact CE2-CG 4.39Å; R297-E489 IonicContact NH2-OE1 3.39Å; R297-E489 PolarHBondContact NH2-OE1 3.29Å; A485-E489 VanDerWaalsContact O-CB 3.32Å; A485-E489 WeakPolarHBondContact O-CB 3.36Å; A485-E489 WeakPolarHBondContact O-CG 3.19Å; A485-E489 PolarHBondContact O-N 3.06Å; E489-K491 VanDerWaalsContact C-N 3.34Å; E489-K491 PolarHBondContact O-N 3.49Å; E489-L492 PolarHBondContact O-N 3.44Å; E489-L492 VanDerWaalsContact O-N 3.15Å; E489-E493 WeakPolarHBondContact O-CB 3.3Å; E489-E493 WeakPolarHBondContact O-CG 3.48Å; E489-E493 PolarHBondContact O-N 3.43Å
490	S	55	Low	49.6	Very low	65 Å²	65	88.2 Å²	88.2	46%	0.455	45%	0.452	S	S	.	.	H	α-helix	trans	-60.1	-40.3	171.8	53.5	0	0	0	0	112.7	S486 E487 A494	S486-S490 WeakPolarHBondContact O-CB 3.5Å; S486-S490 PolarHBondContact O-N 2.97Å; S486-S490 PolarHBondContact O-OG 3.04Å; E487-S490 WeakPolarHBondContact CA-OG 3.4Å; E487-S490 PolarHBondContact O-OG 2.61Å; S490-A494 WeakPolarHBondContact O-CB 3.47Å; S490-A494 PolarHBondContact O-N 3.1Å
491	K	47.7	Very low	49.3	Very low	131 Å²	131	94.7 Å²	94.7	57%	0.57	47%	0.466	S	S	*	.	H	α-helix	trans	-67.1	-37.8	173.1	-77.5	171.9	-177.6	168.6	0	113.1	E487 M488 E489 L495	E487-K491 WeakPolarHBondContact O-CB 2.99Å; E487-K491 WeakPolarHBondContact O-CD 3.19Å; E487-K491 WeakPolarHBondContact O-CG 3.16Å; E487-K491 PolarHBondContact O-N 3.3Å; E487-K491 VanDerWaalsContact O-N 3.11Å; M488-K491 PolarHBondContact O-N 3.45Å; E489-K491 VanDerWaalsContact C-N 3.34Å; E489-K491 PolarHBondContact O-N 3.49Å; K491-L495 WeakPolarHBondContact O-CB 3.47Å; K491-L495 WeakPolarHBondContact O-CG 3.35Å; K491-L495 PolarHBondContact O-N 3.39Å
492	L	47.1	Very low	49.1	Very low	103 Å²	103	96.8 Å²	96.8	54%	0.539	48%	0.481	S	S	.	.	H	α-helix	trans	-72.4	-37.8	179.5	-173.2	67	0	0	0	111.1	M488 E489 L495 S496	M488-L492 VanDerWaalsContact O-CB 3.22Å; M488-L492 WeakPolarHBondContact O-CB 3.42Å; M488-L492 PolarHBondContact O-N 2.86Å; E489-L492 PolarHBondContact O-N 3.44Å; E489-L492 VanDerWaalsContact O-N 3.15Å; L492-L495 PolarHBondContact O-N 2.78Å; L492-S496 VanDerWaalsContact O-CB 3.31Å; L492-S496 WeakPolarHBondContact O-CB 3.26Å; L492-S496 PolarHBondContact O-N 2.82Å
493	E	50.7	Low	48.1	Very low	129 Å²	129	95.5 Å²	95.5	60%	0.603	48%	0.479	S	S	*	.	H	α-helix	trans	-62.6	-47.5	170.9	-78.3	-178.8	167.7	0	0	110.7	E489 L495 S496 I497	E489-E493 WeakPolarHBondContact O-CB 3.3Å; E489-E493 WeakPolarHBondContact O-CG 3.48Å; E489-E493 PolarHBondContact O-N 3.43Å; E493-L495 VanDerWaalsContact C-N 3.35Å; E493-L495 PolarHBondContact O-N 2.98Å; E493-S496 PolarHBondContact O-N 2.94Å; E493-S496 VanDerWaalsContact O-N 3.11Å; E493-S496 PolarHBondContact O-OG 3.08Å; E493-I497 WeakPolarHBondContact O-CG1 3.41Å; E493-I497 PolarHBondContact O-N 2.92Å
494	A	50.7	Low	47	Very low	56 Å²	56	92.4 Å²	92.4	46%	0.463	47%	0.474	S	S	.	.	H	α-helix	trans	-56.8	-46.1	173.9	0	0	0	0	0	112.1	S490 S496 I497 D498	S490-A494 WeakPolarHBondContact O-CB 3.47Å; S490-A494 PolarHBondContact O-N 3.1Å; A494-S496 VanDerWaalsContact C-N 3.34Å; A494-S496 PolarHBondContact O-N 2.96Å; A494-I497 PolarHBondContact O-N 3.18Å; A494-D498 PolarHBondContact O-N 3.39Å
495	L	49.2	Very low	46.2	Very low	102 Å²	102	91.8 Å²	91.8	53%	0.534	48%	0.478	S	S	.	.	H	α-helix	trans	-67.4	-30.6	176.4	-73.2	170.4	0	0	0	113.2	K491 L492 E493 D498 R499	K491-L495 WeakPolarHBondContact O-CB 3.47Å; K491-L495 WeakPolarHBondContact O-CG 3.35Å; K491-L495 PolarHBondContact O-N 3.39Å; L492-L495 PolarHBondContact O-N 2.78Å; E493-L495 VanDerWaalsContact C-N 3.35Å; E493-L495 PolarHBondContact O-N 2.98Å; L495-D498 PolarHBondContact O-N 2.82Å; L495-R499 WeakPolarHBondContact O-CB 3.27Å; L495-R499 PolarHBondContact O-N 2.85Å
496	S	48.8	Very low	45.3	Very low	54 Å²	54	99.9 Å²	99.9	38%	0.378	51%	0.507	S	S	.	.	H	α-helix	trans	-72.3	-35.9	175.9	79.6	0	0	0	0	111.9	L492 E493 A494 R499 K500	L492-S496 VanDerWaalsContact O-CB 3.31Å; L492-S496 WeakPolarHBondContact O-CB 3.26Å; L492-S496 PolarHBondContact O-N 2.82Å; E493-S496 PolarHBondContact O-N 2.94Å; E493-S496 VanDerWaalsContact O-N 3.11Å; E493-S496 PolarHBondContact O-OG 3.08Å; A494-S496 VanDerWaalsContact C-N 3.34Å; A494-S496 PolarHBondContact O-N 2.96Å; S496-R499 PolarHBondContact O-N 3.06Å; S496-K500 WeakPolarHBondContact O-CG 3.24Å; S496-K500 PolarHBondContact O-N 2.97Å
497	I	51.8	Low	44.1	Very low	98 Å²	98	103.6 Å²	103.6	50%	0.503	52%	0.52	S	S	.	.	H	α-helix	trans	-65.3	-44.3	171.6	-66.8	166	0	0	0	109.1	E493 A494 R499 K500 R501	E493-I497 WeakPolarHBondContact O-CG1 3.41Å; E493-I497 PolarHBondContact O-N 2.92Å; A494-I497 PolarHBondContact O-N 3.18Å; I497-R499 VanDerWaalsContact C-N 3.35Å; I497-R499 PolarHBondContact O-N 2.96Å; I497-K500 PolarHBondContact O-N 2.86Å; I497-R501 PolarHBondContact O-N 2.8Å
498	D	45	Very low	43	Very low	95 Å²	95	106.7 Å²	106.7	51%	0.508	54%	0.538	S	S	.	.	H	α-helix	trans	-64.2	-37.4	175.3	-107.8	-4.3	0	0	0	112.6	A494 L495 R501 S502	A494-D498 PolarHBondContact O-N 3.39Å; L495-D498 PolarHBondContact O-N 2.82Å; D498-R501 CarbonylContact O-C 3.59Å; D498-R501 PolarHBondContact O-N 3.06Å; D498-S502 VanDerWaalsContact O-CB 3.26Å; D498-S502 WeakPolarHBondContact O-CB 3.34Å; D498-S502 PolarHBondContact O-N 3.28Å
499	R	43	Very low	42.2	Very low	187 Å²	187	112.3 Å²	112.3	71%	0.706	56%	0.561	S	S	*	*	H	α-helix	trans	-68.8	-38	174.6	-163.7	178.6	-171.9	-171.5	2.8	111.8	L495 S496 I497 R501 S502 S503	L495-R499 WeakPolarHBondContact O-CB 3.27Å; L495-R499 PolarHBondContact O-N 2.85Å; S496-R499 PolarHBondContact O-N 3.06Å; I497-R499 VanDerWaalsContact C-N 3.35Å; I497-R499 PolarHBondContact O-N 2.96Å; R499-R501 VanDerWaalsContact C-N 3.35Å; R499-S502 PolarHBondContact O-N 2.91Å; R499-S503 WeakPolarHBondContact O-CB 3.46Å; R499-S503 PolarHBondContact O-N 3.37Å; R499-S503 PolarHBondContact O-OG 3.35Å; R499-S503 VanDerWaalsContact O-OG 3.12Å
500	K	41.1	Very low	41.2	Very low	158 Å²	158	111.6 Å²	111.6	69%	0.687	58%	0.577	S	S	*	*	H	α-helix	trans	-64.5	-38.8	171.8	-77.6	-178.9	178.6	179.9	0	111.6	S496 I497 S504	S496-K500 WeakPolarHBondContact O-CG 3.24Å; S496-K500 PolarHBondContact O-N 2.97Å; I497-K500 PolarHBondContact O-N 2.86Å; K500-S504 WeakPolarHBondContact O-CB 3.09Å; K500-S504 PolarHBondContact O-N 3.02Å; K500-S504 PolarHBondContact O-OG 3.45Å
501	R	40.7	Very low	39.7	Very low	183 Å²	183	114.6 Å²	114.6	69%	0.691	60%	0.599	S	S	*	*	H	α-helix	trans	-65	-42.3	171.2	-88.3	-177.7	170.1	175.2	-3	112.1	I497 D498 R499 S504 S505	I497-R501 PolarHBondContact O-N 2.8Å; D498-R501 CarbonylContact O-C 3.59Å; D498-R501 PolarHBondContact O-N 3.06Å; R499-R501 VanDerWaalsContact C-N 3.35Å; R501-S504 CarbonylContact O-C 3.51Å; R501-S504 PolarHBondContact O-N 3.48Å; R501-S505 WeakPolarHBondContact O-CB 3.33Å; R501-S505 PolarHBondContact O-N 3.38Å
502	S	42.5	Very low	38.7	Very low	48 Å²	48	113.2 Å²	113.2	34%	0.336	61%	0.605	S	S	.	*	H	α-helix	trans	-72.5	-33.6	-179.9	-178.6	0	0	0	0	113.2	D498 R499 S505 R506	D498-S502 VanDerWaalsContact O-CB 3.26Å; D498-S502 WeakPolarHBondContact O-CB 3.34Å; D498-S502 PolarHBondContact O-N 3.28Å; R499-S502 PolarHBondContact O-N 2.91Å; S502-S505 WeakPolarHBondContact CA-OG 3.38Å; S502-S505 PolarHBondContact O-N 3.34Å; S502-S505 PolarHBondContact O-OG 2.75Å; S502-S505 VanDerWaalsContact O-OG 3.1Å; S502-R506 WeakPolarHBondContact O-CB 3.28Å; S502-R506 PolarHBondContact O-N 2.89Å
503	S	37.1	Very low	37.6	Very low	57 Å²	57	115.1 Å²	115.1	40%	0.399	62%	0.616	S	S	.	*	H	α-helix	trans	-70.9	-35.5	170.7	-65.3	0	0	0	0	111.5	R499 I507	R499-S503 WeakPolarHBondContact O-CB 3.46Å; R499-S503 PolarHBondContact O-N 3.37Å; R499-S503 PolarHBondContact O-OG 3.35Å; R499-S503 VanDerWaalsContact O-OG 3.12Å; S503-I507 WeakPolarHBondContact O-CG1 3.23Å; S503-I507 PolarHBondContact O-N 2.92Å
504	S	33.2	Very low	36.3	Very low	71 Å²	71	114.9 Å²	114.9	50%	0.497	62%	0.623	S	S	.	*	H	α-helix	trans	-71.3	-33.8	171.1	-58.2	0	0	0	0	112.1	K500 R501 I507	K500-S504 WeakPolarHBondContact O-CB 3.09Å; K500-S504 PolarHBondContact O-N 3.02Å; K500-S504 PolarHBondContact O-OG 3.45Å; R501-S504 CarbonylContact O-C 3.51Å; R501-S504 PolarHBondContact O-N 3.48Å; S504-I507 PolarHBondContact O-N 2.78Å
505	S	32.2	Very low	35	Very low	64 Å²	64	117.5 Å²	117.5	45%	0.448	64%	0.639	S	S	.	*	H	α-helix	trans	-76.1	-24.4	176.8	82.3	0	0	0	0	112.7	R501 S502 I507 L508	R501-S505 WeakPolarHBondContact O-CB 3.33Å; R501-S505 PolarHBondContact O-N 3.38Å; S502-S505 WeakPolarHBondContact CA-OG 3.38Å; S502-S505 PolarHBondContact O-N 3.34Å; S502-S505 PolarHBondContact O-OG 2.75Å; S502-S505 VanDerWaalsContact O-OG 3.1Å; S505-I507 VanDerWaalsContact C-N 3.26Å; S505-L508 PolarHBondContact O-N 3.31Å
506	R	30.7	Very low	33.7	Very low	179 Å²	179	124.4 Å²	124.4	68%	0.675	66%	0.657	S	S	*	*	H	α-helix	trans	-70	-24.7	169.7	-111.1	-176.6	-75.9	-158.6	-6.9	112.4	S502 L508	S502-R506 WeakPolarHBondContact O-CB 3.28Å; S502-R506 PolarHBondContact O-N 2.89Å; R506-L508 VanDerWaalsContact C-N 3.32Å
507	I	31.1	Very low	32.5	Very low	145 Å²	145	127.4 Å²	127.4	74%	0.744	67%	0.674	S	S	*	*	H	α-helix	trans	-76.8	-21.3	173.7	-63.8	168.4	0	0	0	111.2	S503 S504 S505	S503-I507 WeakPolarHBondContact O-CG1 3.23Å; S503-I507 PolarHBondContact O-N 2.92Å; S504-I507 PolarHBondContact O-N 2.78Å; S505-I507 VanDerWaalsContact C-N 3.26Å
508	L	29.5	Very low	31.1	Very low	151 Å²	151	129.9 Å²	129.9	79%	0.791	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	9	-177.2	-74.8	168.2	0	0	0	115.5	S505 R506	S505-L508 PolarHBondContact O-N 3.31Å; R506-L508 VanDerWaalsContact C-N 3.32Å
509	K	28.2	Very low	30.2	Very low	193 Å²	193	130.5 Å²	130.5	84%	0.839	70%	0.7	S	S	*	*	S	Bend	trans	-125.3	97	169.3	-86.9	-174.6	174.3	-179	0	110.2
510	G	29.9	Very low	29.2	Very low	74 Å²	74	127.1 Å²	127.1	76%	0.763	70%	0.704	S	S	*	*			trans	138.8	48.6	172.6	0	0	0	0	0	113.4
511	S	24.3	Very low	28.4	Very low	129 Å²	129	130.9 Å²	130.9	90%	0.902	71%	0.714	S	S	*	*			trans	-93.3	102.7	161.2	-165.5	0	0	0	0	106.8
512	S	26.1	Very low	27.5	Very low	101 Å²	101	129.9 Å²	129.9	71%	0.706	72%	0.722	S	S	*	*			trans	-162.6	108.8	154.8	38.8	0	0	0	0	107.6
513	D	23.9	Very low	26.5	Very low	144 Å²	144	137.7 Å²	137.7	77%	0.77	74%	0.744	S	S	*	*			trans	81	88.4	154.3	-53.8	-21.4	0	0	0	120.4
514	T	23.8	Very low	25.7	Very low	123 Å²	123	143.7 Å²	143.7	76%	0.755	76%	0.763	S	S	*	*				37.4	123.1	123.9	49.9	0	0	0	0	121.1
515	S	22.5	Very low	25.3	Very low	112 Å²	112	150.6 Å²	150.6	78%	0.783	78%	0.784	S	S	*	*			trans	70.6	96.7	140.5	-63.7	0	0	0	0	118.7
516	R	22	Very low	24.9	Very low	246 Å²	246	152.5 Å²	152.5	93%	0.928	80%	0.798	S	S	*	*				-173.3	135.3	98.5	-105.4	171.6	170.7	164.3	-3.5	112.5
517	T	23.7	Very low	25	Very low	118 Å²	118	149.1 Å²	149.1	72%	0.724	80%	0.799	S	S	*	*			trans	-61.8	151.6	169.9	47.1	0	0	0	0	113
518	N	23.5	Very low	24.6	Very low	149 Å²	149	149.9 Å²	149.9	80%	0.797	80%	0.803	S	S	*	*			trans	87	114.1	155.8	-64.3	-9.8	0	0	0	118.8
519	S	26.2	Very low	24.6	Very low	108 Å²	108	147.9 Å²	147.9	76%	0.755	80%	0.8	S	S	*	*				41.1	132.1	116.3	-166.9	0	0	0	0	118.4
520	C	21.5	Very low	24.5	Very low	117 Å²	117	144.3 Å²	144.3	79%	0.791	80%	0.799	S	S	*	*			trans	86.7	111.5	168.3	-64.9	0	0	0	0	116.8
521	R	24.1	Very low	24.7	Very low	237 Å²	237	145.8 Å²	145.8	89%	0.894	80%	0.795	S	S	*	*			trans	5.5	122.4	141.1	-69.3	173.2	172.6	167.4	-2.3	115.1
522	D	22.6	Very low	24.8	Very low	161 Å²	161	146.5 Å²	146.5	86%	0.861	79%	0.789	S	S	*	*				-165.4	158.9	116.3	-105.5	-35.8	0	0	0	114.7
523	R	21.4	Very low	24.7	Very low	212 Å²	212	152.6 Å²	152.6	80%	0.8	80%	0.796	S	S	*	*			trans	-71.6	153.9	-166.5	-72.5	171.1	177.2	-159.3	-3	115.3
524	K	19.7	Very low	25	Very low	183 Å²	183	151 Å²	151	80%	0.796	79%	0.794	S	S	*	*			trans	54.7	119.9	141.4	-72.3	-179.2	178.5	-172.3	0	118.6
525	F	23.8	Very low	25.1	Very low	216 Å²	216	149.5 Å²	149.5	95%	0.947	79%	0.794	S	S	*	*				-155.7	126.8	129.4	-113	-85.9	0	0	0	110.2
526	S	23.7	Very low	25.3	Very low	104 Å²	104	152.2 Å²	152.2	73%	0.727	80%	0.799	S	S	*	*			trans	-102.5	179.7	155.5	-35.6	0	0	0	0	106.8
527	P	33.1	Very low	25.5	Very low	108 Å²	108	146.8 Å²	146.8	70%	0.701	80%	0.797	S	S	*	*			cis	-132.5	-177.4	-13.2	37.3	-18.4	0	0	0	112.2
528	L	23.2	Very low	25.6	Very low	161 Å²	161	150.2 Å²	150.2	84%	0.843	81%	0.805	S	S	*	*				-179.1	153.9	120.5	-115.4	99.3	0	0	0	113
529	P	29.3	Very low	25.9	Very low	110 Å²	110	150.9 Å²	150.9	71%	0.714	81%	0.808	S	S	*	*			trans	-107.8	161.1	-172.3	40	-30.4	0	0	0	113.7
530	S	25.6	Very low	25.9	Very low	118 Å²	118	152.3 Å²	152.3	83%	0.825	81%	0.806	S	S	*	*			trans	-177.5	159.7	138.1	54.7	0	0	0	0	112.4
531	P	34.7	Very low	26.4	Very low	105 Å²	105	152 Å²	152	68%	0.682	80%	0.803	S	S	*	*			trans	-106.5	159.4	-159.6	38.7	-28.9	0	0	0	112.7
532	N	26	Very low	26.7	Very low	143 Å²	143	144.7 Å²	144.7	77%	0.765	79%	0.788	S	S	*	*			trans	174.3	132.2	133.2	-94.9	-39.6	0	0	0	113.6
533	R	25.6	Very low	27	Very low	229 Å²	229	144.7 Å²	144.7	86%	0.864	78%	0.78	S	S	*	*			trans	88.9	156.8	136.2	-80	-174	-179	-141.2	0.9	120.4
534	P	30	Very low	27.4	Very low	112 Å²	112	142.4 Å²	142.4	73%	0.727	78%	0.783	S	S	*	*				-112.6	171.8	-128.5	42.4	-36.5	0	0	0	114.6
535	A	24.7	Very low	27.9	Very low	91 Å²	91	137.1 Å²	137.1	75%	0.752	77%	0.774	S	S	*	*			trans	69	139	146.9	0	0	0	0	0	119.5
536	L	27.9	Very low	28	Very low	169 Å²	169	133.2 Å²	133.2	89%	0.885	76%	0.76	S	S	*	*			trans	99.2	31.2	155.5	-96.7	132.2	0	0	0	121.3
537	C	25.7	Very low	28.3	Very low	132 Å²	132	132.5 Å²	132.5	89%	0.892	76%	0.755	S	S	*	*			trans	-141.2	72.1	154.6	-96.2	0	0	0	0	112.1
538	Q	26.1	Very low	28.2	Very low	190 Å²	190	133 Å²	133	89%	0.888	76%	0.756	S	S	*	*			trans	-111.1	15.9	164.7	-78.6	-168.3	-7.5	0	0	113.2
539	L	28.4	Very low	28.6	Very low	162 Å²	162	130.7 Å²	130.7	85%	0.848	75%	0.749	S	S	*	*	S	Bend	trans	-106.1	83.9	166.2	-72.2	168.8	0	0	0	108.1
540	L	28	Very low	28.8	Very low	138 Å²	138	130.3 Å²	130.3	72%	0.723	75%	0.748	S	S	*	*			trans	149.3	89.2	155.6	-80.1	157.5	0	0	0	109.4	F543	L540-F543 HydrophobicContact CD2-CD2 3.86Å; L540-F543 HydrophobicContact CD2-CE2 4.4Å
541	P	30.2	Very low	29.5	Very low	112 Å²	112	134.8 Å²	134.8	73%	0.727	75%	0.747	S	S	*	*	S	Bend		-136.8	119	129.2	33.2	-19.7	0	0	0	110.1
542	S	31.8	Very low	29.7	Very low	83 Å²	83	134.9 Å²	134.9	58%	0.58	75%	0.751	S	S	*	*			trans	154.6	11.2	147.3	52.4	0	0	0	0	115.4	L544 A545	S542-L544 PolarHBondContact O-N 3.15Å; S542-A545 PolarHBondContact O-N 3.44Å; S542-A545 VanDerWaalsContact O-N 3.09Å
543	F	28.2	Very low	30.4	Very low	160 Å²	160	132.5 Å²	132.5	70%	0.702	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-15	165.6	-80.3	-70.5	0	0	0	113.5	L540	L540-F543 HydrophobicContact CD2-CD2 3.86Å; L540-F543 HydrophobicContact CD2-CE2 4.4Å
544	L	29.5	Very low	32	Very low	164 Å²	164	124.1 Å²	124.1	86%	0.859	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-13	170.7	-75.1	171.2	0	0	0	114	S542	S542-L544 PolarHBondContact O-N 3.15Å
545	A	30.2	Very low	33.2	Very low	72 Å²	72	120 Å²	120	60%	0.595	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-16	176	0	0	0	0	0	113.4	S542	S542-A545 PolarHBondContact O-N 3.44Å; S542-A545 VanDerWaalsContact O-N 3.09Å
546	M	26.9	Very low	35.6	Very low	135 Å²	135	118.5 Å²	118.5	67%	0.665	68%	0.683	S	S	*	*	S	Bend	trans	-105.6	6.2	-173.9	-80.4	-153.2	-58.1	0	0	116.6
547	S	28.6	Very low	37.7	Very low	89 Å²	89	116.6 Å²	116.6	62%	0.622	67%	0.667	S	S	*	*	S	Bend	trans	-106.7	8.5	175.1	61.8	0	0	0	0	115.6
548	V	31	Very low	39.9	Very low	117 Å²	117	114.3 Å²	114.3	71%	0.709	65%	0.645	S	S	*	*	S	Bend	trans	-100.6	-9.5	172.2	-174.4	0	0	0	0	112.6	S550	V548-S550 VanDerWaalsContact C-N 3.32Å; V548-S550 PolarHBondContact O-N 3.15Å
549	T	32.7	Very low	42.3	Very low	114 Å²	114	109.3 Å²	109.3	70%	0.699	62%	0.618	S	S	*	*	S	Bend	trans	-79.9	1.6	-172.5	48.9	0	0	0	0	115.8
550	S	34	Very low	44.8	Very low	101 Å²	101	107 Å²	107	71%	0.706	60%	0.604	S	S	*	*	S	Bend	trans	-125.6	62.8	-179.9	73	0	0	0	0	114.7	V548	V548-S550 VanDerWaalsContact C-N 3.32Å; V548-S550 PolarHBondContact O-N 3.15Å
551	R	38.4	Very low	47.3	Very low	212 Å²	212	107 Å²	107	80%	0.8	60%	0.598	S	S	*	*			trans	-163.4	13.9	155.1	-113	163.1	-162.2	-160.8	6.1	118.1	V553 S554	R551-V553 PolarHBondContact O-N 3.28Å; R551-V553 VanDerWaalsContact O-N 3.17Å; R551-S554 WeakPolarHBondContact O-CB 3.17Å; R551-S554 PolarHBondContact O-N 2.88Å; R551-S554 VanDerWaalsContact O-N 3.14Å; R551-S554 PolarHBondContact O-OG 2.92Å
552	S	40.1	Very low	49.7	Very low	108 Å²	108	102.2 Å²	102.2	76%	0.755	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-20.1	176.4	71.6	0	0	0	0	113.9	S554	S552-S554 PolarHBondContact O-N 3.27Å
553	V	41	Very low	52.3	Low	93 Å²	93	102.6 Å²	102.6	56%	0.564	56%	0.561	S	S	*	*	H	α-helix	trans	-67.5	-11.7	175.3	178.6	0	0	0	0	113.1	R551 K557	R551-V553 PolarHBondContact O-N 3.28Å; R551-V553 VanDerWaalsContact O-N 3.17Å; V553-K557 HydrophobicContact CG1-CD 4.11Å
554	S	58.3	Low	54.9	Low	52 Å²	52	100.8 Å²	100.8	36%	0.364	55%	0.553	S	S	.	*	H	α-helix	trans	-83.3	-41.3	-174.7	63.4	0	0	0	0	114.4	R551 S552 I558	R551-S554 WeakPolarHBondContact O-CB 3.17Å; R551-S554 PolarHBondContact O-N 2.88Å; R551-S554 VanDerWaalsContact O-N 3.14Å; R551-S554 PolarHBondContact O-OG 2.92Å; S552-S554 PolarHBondContact O-N 3.27Å; S554-I558 WeakPolarHBondContact O-CB 3.38Å; S554-I558 WeakPolarHBondContact O-CD1 3Å; S554-I558 WeakPolarHBondContact O-CG1 3.5Å; S554-I558 PolarHBondContact O-N 2.96Å
555	G	56.5	Low	57.4	Low	25 Å²	25	93.4 Å²	93.4	26%	0.258	51%	0.514	S	S	.	.	H	α-helix	trans	-68.2	-41.2	-171.6	0	0	0	0	0	114.8	R559	G555-R559 WeakPolarHBondContact O-CG 3.44Å; G555-R559 PolarHBondContact O-N 3.09Å
556	A	73.4	Confident	60.2	Low	60 Å²	60	91.6 Å²	91.6	50%	0.496	49%	0.494	S	S	.	.	H	α-helix	trans	-67.3	-43.5	178.8	0	0	0	0	0	112.1	R559 Q560	A556-R559 PolarHBondContact O-N 3.31Å; A556-Q560 PolarHBondContact O-N 3.03Å
557	K	72	Confident	63	Low	129 Å²	129	91.5 Å²	91.5	56%	0.561	49%	0.492	S	S	*	.	H	α-helix	trans	-63	-41.4	176.3	-69	-178.9	-179.5	176	0	111.8	V553 Q560 K561	V553-K557 HydrophobicContact CG1-CD 4.11Å; K557-Q560 PolarHBondContact O-N 3.46Å; K557-K561 PolarHBondContact O-N 3.39Å; K557-K561 VanDerWaalsContact O-N 3.08Å
558	I	72.9	Confident	65.7	Low	84 Å²	84	87.7 Å²	87.7	43%	0.431	47%	0.466	S	S	.	.	H	α-helix	trans	-61.9	-47.4	175.3	-69.3	164.2	0	0	0	110.8	S554 Q560 K561 L562	S554-I558 WeakPolarHBondContact O-CB 3.38Å; S554-I558 WeakPolarHBondContact O-CD1 3Å; S554-I558 WeakPolarHBondContact O-CG1 3.5Å; S554-I558 PolarHBondContact O-N 2.96Å; I558-Q560 VanDerWaalsContact C-N 3.33Å; I558-Q560 PolarHBondContact O-N 3.24Å; I558-K561 PolarHBondContact O-N 2.75Å; I558-L562 HydrophobicContact CG2-CD1 3.93Å; I558-L562 HydrophobicContact CG2-CG 4.43Å; I558-L562 WeakPolarHBondContact O-CG 3.28Å; I558-L562 PolarHBondContact O-N 3.27Å
559	R	76.9	Confident	68.3	Low	85 Å²	85	82.3 Å²	82.3	32%	0.321	43%	0.433	S	S	.	.	H	α-helix	trans	-59.4	-41.9	176.6	-78.2	-170.9	-72.5	-100.3	4.5	112.4	G555 A556 K561 L562 N563	G555-R559 WeakPolarHBondContact O-CG 3.44Å; G555-R559 PolarHBondContact O-N 3.09Å; A556-R559 PolarHBondContact O-N 3.31Å; R559-K561 PolarHBondContact O-N 3.37Å; R559-L562 PolarHBondContact O-N 3.45Å; R559-N563 WeakPolarHBondContact O-CB 3.43Å; R559-N563 VanDerWaalsContact O-CG 3.29Å; R559-N563 PolarHBondContact O-N 3.39Å
560	Q	80.5	Confident	71	Confident	115 Å²	115	84.7 Å²	84.7	54%	0.537	43%	0.429	S	S	.	.	H	α-helix	trans	-61.3	-43.6	176.9	-168.6	-175.7	10.4	0	0	111.7	A556 K557 I558 N563 K564	A556-Q560 PolarHBondContact O-N 3.03Å; K557-Q560 PolarHBondContact O-N 3.46Å; I558-Q560 VanDerWaalsContact C-N 3.33Å; I558-Q560 PolarHBondContact O-N 3.24Å; Q560-N563 PolarHBondContact O-N 3.26Å; Q560-K564 WeakPolarHBondContact O-CG 3.49Å; Q560-K564 PolarHBondContact O-N 3.47Å; Q560-K564 VanDerWaalsContact O-N 3.07Å
561	K	79.7	Confident	73.5	Confident	138 Å²	138	82.9 Å²	82.9	60%	0.6	41%	0.414	S	S	*	.	H	α-helix	trans	-61.9	-45.6	174.1	-75.2	-171.1	173.1	-165.4	0	112.2	K557 I558 R559 N563 K564 M565	K557-K561 PolarHBondContact O-N 3.39Å; K557-K561 VanDerWaalsContact O-N 3.08Å; I558-K561 PolarHBondContact O-N 2.75Å; R559-K561 PolarHBondContact O-N 3.37Å; K561-N563 VanDerWaalsContact C-N 3.32Å; K561-N563 PolarHBondContact O-N 3.15Å; K561-K564 PolarHBondContact O-N 2.99Å; K561-M565 WeakPolarHBondContact O-CB 3.4Å; K561-M565 PolarHBondContact O-N 3.2Å
562	L	81.5	Confident	75.7	Confident	11 Å²	11	73.2 Å²	73.2	6%	0.058	38%	0.379	C	S	.	.	H	α-helix	trans	-62	-38.3	176.9	-73.8	171.1	0	0	0	112.2	H295 M299 A302 I558 R559 M565 N566	H295-L562 PolarHBondContact CE1-O 3.16Å; H295-L562 PolarHBondContact ND1-O 2.87Å; M299-L562 HydrophobicContact CG-CD1 4.22Å; M299-L562 HydrophobicContact SD-CB 3.88Å; M299-L562 HydrophobicContact SD-CD1 3.75Å; M299-L562 HydrophobicContact SD-CG 4.42Å; A302-L562 HydrophobicContact CB-CD1 4.26Å; I558-L562 HydrophobicContact CG2-CD1 3.93Å; I558-L562 HydrophobicContact CG2-CG 4.43Å; I558-L562 WeakPolarHBondContact O-CG 3.28Å; I558-L562 PolarHBondContact O-N 3.27Å; R559-L562 PolarHBondContact O-N 3.45Å; L562-M565 HydrophobicContact CD2-CE 4.44Å; L562-M565 HydrophobicContact CD2-SD 4.41Å; L562-M565 WeakPolarHBondContact O-CB 3.2Å; L562-M565 PolarHBondContact O-N 2.89Å; L562-N566 PolarHBondContact O-N 3.36Å
563	N	85.6	Confident	78	Confident	90 Å²	90	68.6 Å²	68.6	48%	0.481	35%	0.347	S	S	.	.	H	α-helix	trans	-66.2	-42.6	176.3	-74.2	-16.5	0	0	0	112.1	R559 Q560 K561 M565 N566 Q567	R559-N563 WeakPolarHBondContact O-CB 3.43Å; R559-N563 VanDerWaalsContact O-CG 3.29Å; R559-N563 PolarHBondContact O-N 3.39Å; Q560-N563 PolarHBondContact O-N 3.26Å; K561-N563 VanDerWaalsContact C-N 3.32Å; K561-N563 PolarHBondContact O-N 3.15Å; N563-M565 VanDerWaalsContact C-N 3.33Å; N563-M565 PolarHBondContact O-N 2.79Å; N563-N566 WeakPolarHBondContact O-CB 3.3Å; N563-N566 PolarHBondContact O-N 2.65Å; N563-Q567 PolarHBondContact O-N 2.95Å
564	K	84.2	Confident	80.3	Confident	122 Å²	122	72 Å²	72	53%	0.53	36%	0.355	S	S	.	.	H	α-helix	trans	-60.2	-43.5	172.4	-71.3	-176.9	177.6	-170.9	0	111.3	M477 Q560 K561 N566 Q567 S568	M477-K564 HydrophobicContact CE-CB 4.32Å; M477-K564 WeakPolarHBondContact CE-O 3.33Å; Q560-K564 WeakPolarHBondContact O-CG 3.49Å; Q560-K564 PolarHBondContact O-N 3.47Å; Q560-K564 VanDerWaalsContact O-N 3.07Å; K561-K564 PolarHBondContact O-N 2.99Å; K564-N566 PolarHBondContact O-N 3.26Å; K564-Q567 WeakPolarHBondContact O-CB 3.31Å; K564-Q567 PolarHBondContact O-N 3.39Å; K564-S568 PolarHBondContact O-N 3.35Å
565	M	81.7	Confident	81.5	Confident	10 Å²	10	71 Å²	71	5%	0.049	35%	0.345	C	S	.	.	H	α-helix	trans	-59.5	-43.9	173.9	-176.7	-174	-58	0	0	112.5	F294 I481 K561 L562 N563 Q567 S568 I569	F294-M565 HydrophobicContact CD1-SD 4.43Å; I481-M565 HydrophobicContact CD1-CB 4.42Å; I481-M565 HydrophobicContact CD1-CE 4.37Å; I481-M565 HydrophobicContact CD1-CG 3.59Å; I481-M565 HydrophobicContact CD1-SD 4.36Å; I481-M565 HydrophobicContact CG1-CE 3.81Å; I481-M565 HydrophobicContact CG1-CG 4.11Å; I481-M565 HydrophobicContact CG1-SD 4.31Å; I481-M565 HydrophobicContact CG2-CE 3.96Å; I481-M565 HydrophobicContact CG2-SD 3.94Å; K561-M565 WeakPolarHBondContact O-CB 3.4Å; K561-M565 PolarHBondContact O-N 3.2Å; L562-M565 HydrophobicContact CD2-CE 4.44Å; L562-M565 HydrophobicContact CD2-SD 4.41Å; L562-M565 WeakPolarHBondContact O-CB 3.2Å; L562-M565 PolarHBondContact O-N 2.89Å; N563-M565 VanDerWaalsContact C-N 3.33Å; N563-M565 PolarHBondContact O-N 2.79Å; M565-Q567 VanDerWaalsContact C-N 3.31Å; M565-Q567 PolarHBondContact O-N 3.47Å; M565-S568 PolarHBondContact O-N 3.15Å; M565-S568 PolarHBondContact O-OG 3.12Å; M565-I569 HydrophobicContact CG-CD1 3.88Å; M565-I569 HydrophobicContact CG-CG1 4.47Å; M565-I569 WeakPolarHBondContact O-CB 3.37Å; M565-I569 VanDerWaalsContact O-CG1 3.29Å; M565-I569 WeakPolarHBondContact O-CG1 3.35Å; M565-I569 PolarHBondContact O-N 2.8Å; M565-I569 HydrophobicContact SD-CD1 4.48Å
566	N	87.7	Confident	82.9	Confident	33 Å²	33	73.1 Å²	73.1	18%	0.176	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-41.7	176.7	-165.7	2.6	0	0	0	111.5	H295 L562 N563 K564 S568 I569 R570	H295-N566 PolarHBondContact NE2-ND2 3.03Å; L562-N566 PolarHBondContact O-N 3.36Å; N563-N566 WeakPolarHBondContact O-CB 3.3Å; N563-N566 PolarHBondContact O-N 2.65Å; K564-N566 PolarHBondContact O-N 3.26Å; N566-S568 VanDerWaalsContact C-N 3.34Å; N566-S568 PolarHBondContact O-N 2.9Å; N566-I569 PolarHBondContact O-N 3.27Å; N566-R570 PolarHBondContact ND2-NH2 2.88Å; N566-R570 WeakPolarHBondContact O-CB 3.41Å; N566-R570 WeakPolarHBondContact O-CG 3.28Å; N566-R570 PolarHBondContact O-N 3.18Å; N566-R570 PolarHBondContact OD1-NE 3.18Å
567	Q	86.9	Confident	83.4	Confident	133 Å²	133	78.5 Å²	78.5	62%	0.621	35%	0.353	S	S	*	.	H	α-helix	trans	-60.2	-45.3	175.4	-176.6	175	-5.4	0	0	111.2	N563 K564 M565 R570 V571	N563-Q567 PolarHBondContact O-N 2.95Å; K564-Q567 WeakPolarHBondContact O-CB 3.31Å; K564-Q567 PolarHBondContact O-N 3.39Å; M565-Q567 VanDerWaalsContact C-N 3.31Å; M565-Q567 PolarHBondContact O-N 3.47Å; Q567-R570 PolarHBondContact O-N 2.95Å; Q567-V571 WeakPolarHBondContact O-CG2 3.26Å; Q567-V571 PolarHBondContact O-N 2.93Å
568	S	84.1	Confident	83.9	Confident	10 Å²	10	75.9 Å²	75.9	7%	0.07	35%	0.351	C	S	.	.	H	α-helix	trans	-63.4	-46.4	178.4	85.2	0	0	0	0	111.6	L474 M477 K564 M565 N566 R570 V571 A572	L474-S568 VanDerWaalsContact CD1-C 3.44Å; L474-S568 VanDerWaalsContact CD1-CB 3.41Å; L474-S568 WeakPolarHBondContact CD1-O 3.43Å; M477-S568 WeakPolarHBondContact CE-OG 3.49Å; K564-S568 PolarHBondContact O-N 3.35Å; M565-S568 PolarHBondContact O-N 3.15Å; M565-S568 PolarHBondContact O-OG 3.12Å; N566-S568 VanDerWaalsContact C-N 3.34Å; N566-S568 PolarHBondContact O-N 2.9Å; S568-R570 VanDerWaalsContact C-N 3.31Å; S568-R570 PolarHBondContact O-N 2.93Å; S568-V571 PolarHBondContact O-N 3.44Å; S568-V571 VanDerWaalsContact O-N 3.13Å; S568-A572 PolarHBondContact O-N 2.78Å
569	I	85.8	Confident	84.3	Confident	3 Å²	3	73.2 Å²	73.2	2%	0.015	34%	0.337	C	S	.	.	H	α-helix	trans	-57.7	-42.5	174.4	-70.2	168.9	0	0	0	111.4	L291 Q292 H295 M565 N566 A572 A573	L291-I569 HydrophobicContact CB-CD1 3.94Å; L291-I569 HydrophobicContact CB-CG1 4.15Å; Q292-I569 HydrophobicContact CG-CG2 3.36Å; H295-I569 HydrophobicContact CB-CD1 3.99Å; M565-I569 HydrophobicContact CG-CD1 3.88Å; M565-I569 HydrophobicContact CG-CG1 4.47Å; M565-I569 WeakPolarHBondContact O-CB 3.37Å; M565-I569 VanDerWaalsContact O-CG1 3.29Å; M565-I569 WeakPolarHBondContact O-CG1 3.35Å; M565-I569 PolarHBondContact O-N 2.8Å; M565-I569 HydrophobicContact SD-CD1 4.48Å; N566-I569 PolarHBondContact O-N 3.27Å; I569-A572 PolarHBondContact O-N 3.45Å; I569-A573 VanDerWaalsContact O-CB 3.27Å; I569-A573 WeakPolarHBondContact O-CB 3.24Å; I569-A573 PolarHBondContact O-N 2.73Å
570	R	89.2	Confident	84.5	Confident	165 Å²	165	71.2 Å²	71.2	62%	0.623	34%	0.335	S	S	*	.	H	α-helix	trans	-64.2	-41	177.2	-73.7	168.8	-175.1	-167.8	-4.8	111.8	N566 Q567 S568 A573 K574	N566-R570 PolarHBondContact ND2-NH2 2.88Å; N566-R570 WeakPolarHBondContact O-CB 3.41Å; N566-R570 WeakPolarHBondContact O-CG 3.28Å; N566-R570 PolarHBondContact O-N 3.18Å; N566-R570 PolarHBondContact OD1-NE 3.18Å; Q567-R570 PolarHBondContact O-N 2.95Å; S568-R570 VanDerWaalsContact C-N 3.31Å; S568-R570 PolarHBondContact O-N 2.93Å; R570-A573 PolarHBondContact O-N 3.41Å; R570-K574 WeakPolarHBondContact O-CB 3.49Å; R570-K574 PolarHBondContact O-N 3.36Å
571	V	86.7	Confident	84.5	Confident	62 Å²	62	71.7 Å²	71.7	38%	0.376	34%	0.336	S	S	.	.	H	α-helix	trans	-63.9	-48.6	175	174.4	0	0	0	0	110.4	L474 Q567 S568 A573 K574 L575	L474-V571 HydrophobicContact CD2-CB 4.37Å; L474-V571 HydrophobicContact CD2-CG1 3.98Å; Q567-V571 WeakPolarHBondContact O-CG2 3.26Å; Q567-V571 PolarHBondContact O-N 2.93Å; S568-V571 PolarHBondContact O-N 3.44Å; S568-V571 VanDerWaalsContact O-N 3.13Å; V571-A573 VanDerWaalsContact C-N 3.34Å; V571-A573 PolarHBondContact O-N 3.47Å; V571-K574 PolarHBondContact O-N 2.78Å; V571-L575 WeakPolarHBondContact O-CB 3.44Å; V571-L575 PolarHBondContact O-N 2.68Å
572	A	85.4	Confident	84.4	Confident	9 Å²	9	66.6 Å²	66.6	7%	0.074	32%	0.319	C	S	.	.	H	α-helix	trans	-57	-44.8	175.4	0	0	0	0	0	112.4	I288 L474 I478 S568 I569 L575 R576	I288-A572 HydrophobicContact CD1-CB 3.9Å; I288-A572 HydrophobicContact CG1-CB 4.16Å; L474-A572 HydrophobicContact CD1-CB 4.12Å; L474-A572 HydrophobicContact CD2-CB 3.84Å; L474-A572 HydrophobicContact CG-CB 4.42Å; I478-A572 HydrophobicContact CD1-CB 4.22Å; S568-A572 PolarHBondContact O-N 2.78Å; I569-A572 PolarHBondContact O-N 3.45Å; A572-L575 WeakPolarHBondContact O-CB 2.94Å; A572-L575 PolarHBondContact O-N 2.69Å; A572-R576 WeakPolarHBondContact O-CB 3.43Å; A572-R576 PolarHBondContact O-N 3.2Å
573	A	89.1	Confident	84.3	Confident	11 Å²	11	66.9 Å²	66.9	9%	0.091	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-42.9	178.4	0	0	0	0	0	112	I288 I569 R570 V571 L575 R577	I288-A573 HydrophobicContact CG2-CB 4.01Å; I569-A573 VanDerWaalsContact O-CB 3.27Å; I569-A573 WeakPolarHBondContact O-CB 3.24Å; I569-A573 PolarHBondContact O-N 2.73Å; R570-A573 PolarHBondContact O-N 3.41Å; V571-A573 VanDerWaalsContact C-N 3.34Å; V571-A573 PolarHBondContact O-N 3.47Å; A573-L575 VanDerWaalsContact C-N 3.28Å; A573-L575 PolarHBondContact O-N 3.35Å; A573-R577 VanDerWaalsContact O-CG 3.26Å; A573-R577 WeakPolarHBondContact O-CG 3.3Å; A573-R577 PolarHBondContact O-N 2.88Å
574	K	88.2	Confident	84	Confident	166 Å²	166	68.3 Å²	68.3	72%	0.722	33%	0.326	S	S	*	.	H	α-helix	trans	-61.1	-41.1	174.8	-175.9	179.4	179.4	-176.9	0	111	R570 V571 R577 S578	R570-K574 WeakPolarHBondContact O-CB 3.49Å; R570-K574 PolarHBondContact O-N 3.36Å; V571-K574 PolarHBondContact O-N 2.78Å; K574-R577 PolarHBondContact O-N 2.97Å; K574-S578 PolarHBondContact O-N 3.33Å; K574-S578 VanDerWaalsContact O-N 3.09Å
575	L	84.5	Confident	83.8	Confident	30 Å²	30	63.7 Å²	63.7	16%	0.157	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-50.3	179.3	-159.6	73	0	0	0	113	R471 V571 A572 A573 R577 S578 E579	R471-L575 HydrophobicContact CG-CD2 3.89Å; V571-L575 WeakPolarHBondContact O-CB 3.44Å; V571-L575 PolarHBondContact O-N 2.68Å; A572-L575 WeakPolarHBondContact O-CB 2.94Å; A572-L575 PolarHBondContact O-N 2.69Å; A573-L575 VanDerWaalsContact C-N 3.28Å; A573-L575 PolarHBondContact O-N 3.35Å; L575-R577 VanDerWaalsContact C-N 3.25Å; L575-R577 PolarHBondContact O-N 2.96Å; L575-S578 CarbonylContact O-C 3.58Å; L575-S578 WeakPolarHBondContact O-CA 3.39Å; L575-S578 VanDerWaalsContact O-CB 3.28Å; L575-S578 WeakPolarHBondContact O-CB 3.2Å; L575-S578 PolarHBondContact O-N 2.87Å; L575-E579 PolarHBondContact O-N 3.43Å
576	R	84.9	Confident	83.9	Confident	69 Å²	69	63.7 Å²	63.7	26%	0.26	31%	0.306	S	S	.	.	H	α-helix	trans	-54.5	-43.4	173.3	176.2	-162.9	167	-174.5	4.2	111.2	G285 I288 A572 S578 E579 S580	G285-R576 VanDerWaalsContact C-NH1 3.26Å; G285-R576 VanDerWaalsContact CA-NH2 3.28Å; G285-R576 PolarHBondContact O-NH1 3.11Å; I288-R576 HydrophobicContact CD1-CB 3.96Å; A572-R576 WeakPolarHBondContact O-CB 3.43Å; A572-R576 PolarHBondContact O-N 3.2Å; R576-S578 VanDerWaalsContact C-N 3.26Å; R576-S578 PolarHBondContact O-N 2.87Å; R576-E579 PolarHBondContact O-N 2.91Å; R576-S580 VanDerWaalsContact O-CB 3.3Å; R576-S580 WeakPolarHBondContact O-CB 3.46Å; R576-S580 PolarHBondContact O-N 3.47Å
577	R	83.8	Confident	83.7	Confident	173 Å²	173	64.9 Å²	64.9	65%	0.653	32%	0.317	S	S	*	.	H	α-helix	trans	-61.5	-36.6	176.8	-73.9	171.5	-175.7	179.2	1.4	111.6	A573 K574 L575 K581	A573-R577 VanDerWaalsContact O-CG 3.26Å; A573-R577 WeakPolarHBondContact O-CG 3.3Å; A573-R577 PolarHBondContact O-N 2.88Å; K574-R577 PolarHBondContact O-N 2.97Å; L575-R577 VanDerWaalsContact C-N 3.25Å; L575-R577 PolarHBondContact O-N 2.96Å; R577-K581 WeakPolarHBondContact O-CD 3.46Å; R577-K581 VanDerWaalsContact O-CG 3.26Å; R577-K581 WeakPolarHBondContact O-CG 3.44Å; R577-K581 PolarHBondContact O-N 3.13Å
578	S	82	Confident	83.5	Confident	75 Å²	75	59.1 Å²	59.1	52%	0.524	29%	0.292	S	S	.	.	H	α-helix	trans	-68.8	-45.5	174.2	-169.5	0	0	0	0	111.8	K574 L575 R576 K581 A582	K574-S578 PolarHBondContact O-N 3.33Å; K574-S578 VanDerWaalsContact O-N 3.09Å; L575-S578 CarbonylContact O-C 3.58Å; L575-S578 WeakPolarHBondContact O-CA 3.39Å; L575-S578 VanDerWaalsContact O-CB 3.28Å; L575-S578 WeakPolarHBondContact O-CB 3.2Å; L575-S578 PolarHBondContact O-N 2.87Å; R576-S578 VanDerWaalsContact C-N 3.26Å; R576-S578 PolarHBondContact O-N 2.87Å; S578-K581 PolarHBondContact O-N 3.42Å; S578-A582 PolarHBondContact O-N 3.49Å
579	E	82.8	Confident	83.5	Confident	28 Å²	28	59.1 Å²	59.1	13%	0.131	29%	0.291	C	S	.	.	H	α-helix	trans	-65.1	-41.1	179.6	-70.4	178.4	166.2	0	0	111.6	R200 R471 L575 R576 K581 A582 A583	R200-E579 IonicContact CZ-OE1 3.12Å; R200-E579 IonicContact NH1-OE1 2.86Å; R200-E579 IonicContact NH2-OE1 4Å; R200-E579 PolarHBondContact NH2-OE1 3.43Å; R471-E579 IonicContact NH2-OE1 3.53Å; R471-E579 PolarHBondContact NH2-OE1 3.39Å; R471-E579 VanDerWaalsContact NH2-OE1 3.14Å; L575-E579 PolarHBondContact O-N 3.43Å; R576-E579 PolarHBondContact O-N 2.91Å; E579-K581 PolarHBondContact O-N 3.23Å; E579-A582 PolarHBondContact O-N 2.94Å; E579-A583 WeakPolarHBondContact O-CB 3.42Å; E579-A583 PolarHBondContact O-N 2.85Å
580	S	80.3	Confident	83.7	Confident	42 Å²	42	59.9 Å²	59.9	29%	0.294	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-38	174.5	177	0	0	0	0	112.6	R576 A583 K584	R576-S580 VanDerWaalsContact O-CB 3.3Å; R576-S580 WeakPolarHBondContact O-CB 3.46Å; R576-S580 PolarHBondContact O-N 3.47Å; S580-A583 PolarHBondContact O-N 2.96Å; S580-K584 WeakPolarHBondContact O-CG 3.5Å; S580-K584 PolarHBondContact O-N 3.3Å; S580-K584 VanDerWaalsContact O-N 3.07Å
581	K	80.6	Confident	83.8	Confident	125 Å²	125	55.1 Å²	55.1	54%	0.543	28%	0.282	S	S	.	.	H	α-helix	trans	-65.5	-42	173.8	-74.4	170.2	-175.3	174.4	0	111.7	R577 S578 E579 K584 M585	R577-K581 WeakPolarHBondContact O-CD 3.46Å; R577-K581 VanDerWaalsContact O-CG 3.26Å; R577-K581 WeakPolarHBondContact O-CG 3.44Å; R577-K581 PolarHBondContact O-N 3.13Å; S578-K581 PolarHBondContact O-N 3.42Å; E579-K581 PolarHBondContact O-N 3.23Å; K581-K584 PolarHBondContact O-N 3.33Å; K581-M585 PolarHBondContact O-N 2.94Å
582	A	77.6	Confident	84	Confident	31 Å²	31	52.2 Å²	52.2	26%	0.256	26%	0.264	S	S	.	.	H	α-helix	trans	-64.8	-42.2	175.9	0	0	0	0	0	111.7	S578 E579 K584 M585 L586	S578-A582 PolarHBondContact O-N 3.49Å; E579-A582 PolarHBondContact O-N 2.94Å; A582-K584 PolarHBondContact O-N 3.03Å; A582-M585 WeakPolarHBondContact O-CB 3.27Å; A582-M585 PolarHBondContact O-N 2.98Å; A582-L586 WeakPolarHBondContact O-CG 2.95Å; A582-L586 PolarHBondContact O-N 2.86Å; A582-L586 VanDerWaalsContact O-N 3.11Å
583	A	79.8	Confident	84.3	Confident	18 Å²	18	51.8 Å²	51.8	15%	0.149	26%	0.261	C	S	.	.	H	α-helix	trans	-60.2	-43.3	176.4	0	0	0	0	0	111.8	I277 E579 S580 M585 L586 S587	I277-A583 HydrophobicContact CG2-CB 4.45Å; E579-A583 WeakPolarHBondContact O-CB 3.42Å; E579-A583 PolarHBondContact O-N 2.85Å; S580-A583 PolarHBondContact O-N 2.96Å; A583-M585 PolarHBondContact O-N 2.89Å; A583-L586 PolarHBondContact O-N 2.8Å; A583-S587 PolarHBondContact O-N 3.07Å; A583-S587 PolarHBondContact O-OG 2.93Å
584	K	78.6	Confident	84.5	Confident	120 Å²	120	53.5 Å²	53.5	52%	0.522	27%	0.268	S	S	.	.	H	α-helix	trans	-59.8	-42.3	176.3	-72.7	178.3	-177.3	-163.5	0	113.4	S580 K581 A582 L586 S587 A588	S580-K584 WeakPolarHBondContact O-CG 3.5Å; S580-K584 PolarHBondContact O-N 3.3Å; S580-K584 VanDerWaalsContact O-N 3.07Å; K581-K584 PolarHBondContact O-N 3.33Å; A582-K584 PolarHBondContact O-N 3.03Å; K584-L586 VanDerWaalsContact C-N 3.33Å; K584-S587 PolarHBondContact O-N 3.02Å; K584-A588 PolarHBondContact O-N 2.82Å; K584-A588 VanDerWaalsContact O-N 3.08Å
585	M	80.7	Confident	84.9	Confident	25 Å²	25	48.1 Å²	48.1	12%	0.123	25%	0.247	C	C	.	.	H	α-helix	trans	-58.4	-48.3	174.6	175.5	179.1	83.4	0	0	110.9	K581 A582 A583 A588 I589 C640 N641	K581-M585 PolarHBondContact O-N 2.94Å; A582-M585 WeakPolarHBondContact O-CB 3.27Å; A582-M585 PolarHBondContact O-N 2.98Å; A583-M585 PolarHBondContact O-N 2.89Å; M585-A588 WeakPolarHBondContact O-CB 3.39Å; M585-A588 PolarHBondContact O-N 2.8Å; M585-I589 HydrophobicContact CG-CD1 4.04Å; M585-I589 WeakPolarHBondContact O-CG1 3.25Å; M585-I589 PolarHBondContact O-N 3.11Å; M585-C640 HydrophobicContact CB-CB 3.61Å; M585-C640 HydrophobicContact CG-CB 3.29Å; M585-C640 HydrophobicContact SD-CB 3.68Å; M585-N641 HydrophobicContact SD-CB 4.21Å
586	L	82.5	Confident	85.4	Confident	9 Å²	9	46.8 Å²	46.8	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-68.8	-34.3	-178.4	-67.5	167.6	0	0	0	112.7	I185 R189 Y274 A582 A583 K584 A588 I589 L590	I185-L586 HydrophobicContact CG2-CD2 3.89Å; R189-L586 HydrophobicContact CB-CD1 4.13Å; R189-L586 HydrophobicContact CG-CD1 3.54Å; Y274-L586 HydrophobicContact CD1-CB 4.47Å; Y274-L586 HydrophobicContact CE1-CB 3.41Å; Y274-L586 VanDerWaalsContact CE1-CB 3.41Å; Y274-L586 HydrophobicContact CE1-CD1 4.05Å; Y274-L586 HydrophobicContact CE1-CG 4.29Å; Y274-L586 WeakPolarHBondContact OH-CB 3.35Å; A582-L586 WeakPolarHBondContact O-CG 2.95Å; A582-L586 PolarHBondContact O-N 2.86Å; A582-L586 VanDerWaalsContact O-N 3.11Å; A583-L586 PolarHBondContact O-N 2.8Å; K584-L586 VanDerWaalsContact C-N 3.33Å; L586-A588 VanDerWaalsContact C-N 3.3Å; L586-A588 PolarHBondContact O-N 3.23Å; L586-I589 PolarHBondContact O-N 3.45Å; L586-L590 WeakPolarHBondContact O-CB 3.37Å; L586-L590 PolarHBondContact O-N 2.91Å
587	S	83.6	Confident	85.9	Confident	59 Å²	59	44.7 Å²	44.7	41%	0.413	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-37.6	171.2	-60.8	0	0	0	0	111.9	A583 K584 L591	A583-S587 PolarHBondContact O-N 3.07Å; A583-S587 PolarHBondContact O-OG 2.93Å; K584-S587 PolarHBondContact O-N 3.02Å; S587-L591 WeakPolarHBondContact O-CB 3.36Å; S587-L591 PolarHBondContact O-N 3.14Å
588	A	83	Confident	86.4	Confident	11 Å²	11	38.5 Å²	38.5	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-68.1	-41.8	175.1	0	0	0	0	0	111.9	M20 K584 M585 L586 L591 A592	M20-A588 HydrophobicContact CE-CB 3.8Å; K584-A588 PolarHBondContact O-N 2.82Å; K584-A588 VanDerWaalsContact O-N 3.08Å; M585-A588 WeakPolarHBondContact O-CB 3.39Å; M585-A588 PolarHBondContact O-N 2.8Å; L586-A588 VanDerWaalsContact C-N 3.3Å; L586-A588 PolarHBondContact O-N 3.23Å; A588-L591 PolarHBondContact O-N 3.4Å; A588-A592 WeakPolarHBondContact O-CB 3.12Å; A588-A592 PolarHBondContact O-N 2.96Å
589	I	84.6	Confident	87.1	Confident	11 Å²	11	37.2 Å²	37.2	6%	0.056	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-44.2	175.3	-66.2	166.9	0	0	0	110.7	L182 M585 L586 L591 A592 F593 C636 Y637	L182-I589 HydrophobicContact CD2-CG2 3.68Å; M585-I589 HydrophobicContact CG-CD1 4.04Å; M585-I589 WeakPolarHBondContact O-CG1 3.25Å; M585-I589 PolarHBondContact O-N 3.11Å; L586-I589 PolarHBondContact O-N 3.45Å; I589-L591 PolarHBondContact O-N 2.81Å; I589-A592 PolarHBondContact O-N 3.3Å; I589-F593 WeakPolarHBondContact O-CB 3.44Å; I589-F593 PolarHBondContact O-N 3.43Å; I589-C636 HydrophobicContact CD1-CB 4.19Å; I589-C636 HydrophobicContact CG1-CB 3.77Å; I589-Y637 HydrophobicContact CD1-CE1 4.06Å
590	L	89.5	Confident	87.7	Confident	19 Å²	19	36.6 Å²	36.6	10%	0.099	20%	0.2	C	C	.	.	H	α-helix	trans	-58	-51.1	175.4	176.5	69.6	0	0	0	110.3	M270 V271 Y274 L586 A592 F593 I594	M270-L590 HydrophobicContact CB-CD1 3.83Å; M270-L590 HydrophobicContact CE-CD1 3.75Å; V271-L590 HydrophobicContact CG2-CD2 4.28Å; Y274-L590 HydrophobicContact CD2-CB 4.37Å; Y274-L590 HydrophobicContact CD2-CD1 4.31Å; Y274-L590 HydrophobicContact CD2-CD2 3.6Å; Y274-L590 HydrophobicContact CD2-CG 4.32Å; Y274-L590 HydrophobicContact CE2-CB 4.29Å; Y274-L590 HydrophobicContact CE2-CD1 4.43Å; Y274-L590 HydrophobicContact CE2-CD2 4.31Å; Y274-L590 HydrophobicContact CG-CD2 4.1Å; L586-L590 WeakPolarHBondContact O-CB 3.37Å; L586-L590 PolarHBondContact O-N 2.91Å; L590-A592 VanDerWaalsContact C-N 3.34Å; L590-A592 PolarHBondContact O-N 3.22Å; L590-F593 WeakPolarHBondContact O-CA 3.32Å; L590-F593 VanDerWaalsContact O-CB 3.31Å; L590-F593 WeakPolarHBondContact O-CB 3.1Å; L590-F593 PolarHBondContact O-N 2.73Å; L590-F593 VanDerWaalsContact O-N 3.09Å; L590-I594 HydrophobicContact CD1-CG1 4.48Å; L590-I594 HydrophobicContact CG-CD1 4.33Å; L590-I594 HydrophobicContact CG-CG1 4.43Å; L590-I594 VanDerWaalsContact O-CG1 3.28Å; L590-I594 WeakPolarHBondContact O-CG1 3.12Å; L590-I594 PolarHBondContact O-N 3.39Å
591	L	91	Very high	88.4	Confident	65 Å²	65	35.2 Å²	35.2	34%	0.34	19%	0.189	S	C	.	.	H	α-helix	trans	-61.5	-43	-178.8	-179.8	62	0	0	0	112.2	L21 S587 A588 I589 F593 I594 L595	L21-L591 HydrophobicContact CD1-CD2 3.28Å; S587-L591 WeakPolarHBondContact O-CB 3.36Å; S587-L591 PolarHBondContact O-N 3.14Å; A588-L591 PolarHBondContact O-N 3.4Å; I589-L591 PolarHBondContact O-N 2.81Å; L591-F593 VanDerWaalsContact C-N 3.27Å; L591-F593 PolarHBondContact O-N 3.14Å; L591-I594 PolarHBondContact O-N 2.88Å; L591-L595 HydrophobicContact CD1-CD1 4.08Å; L591-L595 HydrophobicContact CD1-CG 4.1Å; L591-L595 HydrophobicContact CG-CD1 3.96Å; L591-L595 HydrophobicContact CG-CG 4.38Å; L591-L595 WeakPolarHBondContact O-CG 3.27Å; L591-L595 PolarHBondContact O-N 3.46Å
592	A	90.9	Very high	89.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-55.9	-45.1	173.2	0	0	0	0	0	111.1	L24 A588 I589 L590 L595 T596 I632	L24-A592 HydrophobicContact CD1-CB 3.6Å; L24-A592 HydrophobicContact CD2-CB 3.9Å; L24-A592 HydrophobicContact CG-CB 4.42Å; A588-A592 WeakPolarHBondContact O-CB 3.12Å; A588-A592 PolarHBondContact O-N 2.96Å; I589-A592 PolarHBondContact O-N 3.3Å; L590-A592 VanDerWaalsContact C-N 3.34Å; L590-A592 PolarHBondContact O-N 3.22Å; A592-L595 PolarHBondContact O-N 2.83Å; A592-T596 WeakPolarHBondContact O-CB 3.26Å; A592-T596 WeakPolarHBondContact O-CG2 2.99Å; A592-T596 PolarHBondContact O-N 3.22Å; A592-T596 PolarHBondContact O-OG1 2.9Å; A592-I632 HydrophobicContact CB-CG2 4.17Å
593	F	92	Very high	89.8	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.4	-48.2	175.7	174.1	-95.5	0	0	0	112.8	V179 L182 F263 I267 I589 L590 L591 L595 T596 W597 N629	V179-F593 HydrophobicContact CB-CE2 4.17Å; V179-F593 HydrophobicContact CB-CZ 4.37Å; V179-F593 HydrophobicContact CG1-CE2 3.88Å; V179-F593 HydrophobicContact CG1-CZ 3.6Å; V179-F593 HydrophobicContact CG2-CE2 3.64Å; V179-F593 HydrophobicContact CG2-CZ 4.08Å; L182-F593 HydrophobicContact CD1-CB 4.29Å; L182-F593 HydrophobicContact CD1-CD2 3.52Å; L182-F593 HydrophobicContact CD1-CE2 4.18Å; L182-F593 HydrophobicContact CD1-CG 4.09Å; F263-F593 HydrophobicContact CD2-CE1 4.18Å; F263-F593 AromaticContact CD2-CZ 3.89Å; F263-F593 HydrophobicContact CD2-CZ 3.89Å; F263-F593 AromaticContact CE2-CE1 3.84Å; F263-F593 HydrophobicContact CE2-CE1 3.84Å; F263-F593 AromaticContact CE2-CZ 3.94Å; F263-F593 HydrophobicContact CE2-CZ 3.94Å; I267-F593 HydrophobicContact CB-CE1 4.07Å; I267-F593 HydrophobicContact CD1-CD1 4.49Å; I267-F593 HydrophobicContact CD1-CE1 4.28Å; I267-F593 HydrophobicContact CG1-CD1 4.47Å; I267-F593 HydrophobicContact CG1-CE1 4.17Å; I589-F593 WeakPolarHBondContact O-CB 3.44Å; I589-F593 PolarHBondContact O-N 3.43Å; L590-F593 WeakPolarHBondContact O-CA 3.32Å; L590-F593 VanDerWaalsContact O-CB 3.31Å; L590-F593 WeakPolarHBondContact O-CB 3.1Å; L590-F593 PolarHBondContact O-N 2.73Å; L590-F593 VanDerWaalsContact O-N 3.09Å; L591-F593 VanDerWaalsContact C-N 3.27Å; L591-F593 PolarHBondContact O-N 3.14Å; F593-L595 PolarHBondContact O-N 3.41Å; F593-T596 PolarHBondContact O-N 2.98Å; F593-T596 PolarHBondContact O-OG1 3.34Å; F593-W597 AromaticContact CD2-CD1 3.38Å; F593-W597 HydrophobicContact CD2-CG 4.18Å; F593-W597 AromaticContact CD2-NE1 3.77Å; F593-W597 HydrophobicContact CE2-CB 4.5Å; F593-W597 AromaticContact CE2-CD1 3.38Å; F593-W597 HydrophobicContact CE2-CD2 4.31Å; F593-W597 AromaticContact CE2-CG 3.82Å; F593-W597 HydrophobicContact CE2-CG 3.82Å; F593-W597 AromaticContact CE2-NE1 3.62Å; F593-W597 HydrophobicContact CZ-CG 4.31Å; F593-W597 WeakPolarHBondContact O-CB 3.35Å; F593-W597 PolarHBondContact O-N 3.42Å; F593-W597 VanDerWaalsContact O-N 3.08Å; F593-N629 WeakPolarHBondContact CA-ND2 3.18Å
594	I	94.6	Very high	90.4	Very high	47 Å²	47	31.8 Å²	31.8	24%	0.241	17%	0.174	C	C	.	.	H	α-helix	trans	-58.9	-51	177	-51.9	-163.9	0	0	0	110.5	I267 V271 L590 L591 T596 T598	I267-I594 HydrophobicContact CD1-CB 3.99Å; I267-I594 HydrophobicContact CD1-CD1 3.84Å; I267-I594 HydrophobicContact CD1-CG1 3.49Å; I267-I594 VanDerWaalsContact CD1-CG1 3.49Å; I267-I594 HydrophobicContact CD1-CG2 3.89Å; I267-I594 HydrophobicContact CG1-CD1 4.12Å; I267-I594 HydrophobicContact CG1-CG1 4.03Å; V271-I594 HydrophobicContact CG2-CD1 4.13Å; L590-I594 HydrophobicContact CD1-CG1 4.48Å; L590-I594 HydrophobicContact CG-CD1 4.33Å; L590-I594 HydrophobicContact CG-CG1 4.43Å; L590-I594 VanDerWaalsContact O-CG1 3.28Å; L590-I594 WeakPolarHBondContact O-CG1 3.12Å; L590-I594 PolarHBondContact O-N 3.39Å; L591-I594 PolarHBondContact O-N 2.88Å; I594-T596 VanDerWaalsContact C-N 3.34Å; I594-T596 PolarHBondContact O-N 3.46Å; I594-T598 WeakPolarHBondContact O-CB 3.39Å; I594-T598 PolarHBondContact O-N 3.29Å; I594-T598 PolarHBondContact O-OG1 3.49Å
595	L	94.7	Very high	91.1	Very high	53 Å²	53	27.2 Å²	27.2	28%	0.277	16%	0.155	S	C	.	.	H	α-helix	trans	-65.8	-36.1	-175	-67.6	174.7	0	0	0	112.9	L24 L591 A592 F593 P599	L24-L595 HydrophobicContact CB-CD1 4.29Å; L591-L595 HydrophobicContact CD1-CD1 4.08Å; L591-L595 HydrophobicContact CD1-CG 4.1Å; L591-L595 HydrophobicContact CG-CD1 3.96Å; L591-L595 HydrophobicContact CG-CG 4.38Å; L591-L595 WeakPolarHBondContact O-CG 3.27Å; L591-L595 PolarHBondContact O-N 3.46Å; A592-L595 PolarHBondContact O-N 2.83Å; F593-L595 PolarHBondContact O-N 3.41Å; L595-P599 VanDerWaalsContact O-CD 3.26Å; L595-P599 WeakPolarHBondContact O-CD 3.37Å
596	T	95.1	Very high	91.7	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.018	17%	0.166	C	C	.	.	H	α-helix	trans	-78.9	-34.5	-177.4	47.5	0	0	0	0	113.1	A592 F593 I594 L625 C626 L628 N629 I632	A592-T596 WeakPolarHBondContact O-CB 3.26Å; A592-T596 WeakPolarHBondContact O-CG2 2.99Å; A592-T596 PolarHBondContact O-N 3.22Å; A592-T596 PolarHBondContact O-OG1 2.9Å; F593-T596 PolarHBondContact O-N 2.98Å; F593-T596 PolarHBondContact O-OG1 3.34Å; I594-T596 VanDerWaalsContact C-N 3.34Å; I594-T596 PolarHBondContact O-N 3.46Å; T596-L625 WeakPolarHBondContact CB-O 3.4Å; T596-L625 HydrophobicContact CG2-CD1 4.12Å; T596-L625 CarbonylContact O-C 3.52Å; T596-L625 VanDerWaalsContact O-C 3.29Å; T596-C626 VanDerWaalsContact O-CA 3.29Å; T596-C626 WeakPolarHBondContact O-CA 3.48Å; T596-C626 PolarHBondContact O-N 2.97Å; T596-L628 HydrophobicContact CG2-CB 4.45Å; T596-N629 HydrophobicContact CG2-CB 4.49Å; T596-N629 WeakPolarHBondContact OG1-CB 3.42Å; T596-N629 PolarHBondContact OG1-ND2 3.27Å; T596-I632 HydrophobicContact CG2-CD1 3.91Å
597	W	95.8	Very high	92	Very high	24 Å²	24	30.3 Å²	30.3	9%	0.091	17%	0.173	C	C	.	.	H	α-helix	trans	-95	-28.7	-175.3	-82	87.8	0	0	0	114.7	C175 V179 F263 F593 N601 C626	C175-W597 HydrophobicContact CB-CH2 3.7Å; C175-W597 HydrophobicContact CB-CZ2 4.08Å; V179-W597 HydrophobicContact CG2-CH2 4.48Å; V179-W597 HydrophobicContact CG2-CZ2 4Å; F263-W597 HydrophobicContact CD2-CB 3.79Å; F263-W597 HydrophobicContact CD2-CG 4.42Å; F263-W597 HydrophobicContact CE2-CB 3.33Å; F263-W597 HydrophobicContact CE2-CG 4.29Å; F263-W597 HydrophobicContact CZ-CB 4.09Å; F593-W597 AromaticContact CD2-CD1 3.38Å; F593-W597 HydrophobicContact CD2-CG 4.18Å; F593-W597 AromaticContact CD2-NE1 3.77Å; F593-W597 HydrophobicContact CE2-CB 4.5Å; F593-W597 AromaticContact CE2-CD1 3.38Å; F593-W597 HydrophobicContact CE2-CD2 4.31Å; F593-W597 AromaticContact CE2-CG 3.82Å; F593-W597 HydrophobicContact CE2-CG 3.82Å; F593-W597 AromaticContact CE2-NE1 3.62Å; F593-W597 HydrophobicContact CZ-CG 4.31Å; F593-W597 WeakPolarHBondContact O-CB 3.35Å; F593-W597 PolarHBondContact O-N 3.42Å; F593-W597 VanDerWaalsContact O-N 3.08Å; W597-N601 PolarHBondContact O-N 2.92Å; W597-N601 PolarHBondContact O-ND2 3.25Å; W597-C626 HydrophobicContact CD2-CB 4.07Å; W597-C626 HydrophobicContact CE3-CB 4.1Å; W597-C626 HydrophobicContact CH2-CB 4.41Å; W597-C626 HydrophobicContact CZ2-CB 4.45Å; W597-C626 HydrophobicContact CZ3-CB 4.28Å
598	T	95.9	Very high	92.3	Very high	44 Å²	44	28 Å²	28	27%	0.27	16%	0.157	S	C	.	.	H	α-helix	trans	-60.5	-46.7	-173.7	-58.2	0	0	0	0	112.8	F263 I594 Y600 N601 V602	F263-T598 WeakPolarHBondContact CZ-OG1 3.39Å; I594-T598 WeakPolarHBondContact O-CB 3.39Å; I594-T598 PolarHBondContact O-N 3.29Å; I594-T598 PolarHBondContact O-OG1 3.49Å; T598-Y600 VanDerWaalsContact C-N 3.35Å; T598-Y600 PolarHBondContact O-N 3.49Å; T598-N601 PolarHBondContact O-N 3.25Å; T598-V602 HydrophobicContact CG2-CG2 3.95Å; T598-V602 WeakPolarHBondContact O-CG2 3.2Å; T598-V602 PolarHBondContact O-N 2.85Å
599	P	96	Very high	92.7	Very high	48 Å²	48	31.7 Å²	31.7	31%	0.312	17%	0.171	S	C	.	.	H	α-helix	trans	-59.8	-42.6	-175.9	-30	41.7	0	0	0	113.2	L595 V602 V603 L625	L595-P599 VanDerWaalsContact O-CD 3.26Å; L595-P599 WeakPolarHBondContact O-CD 3.37Å; P599-V602 PolarHBondContact O-N 3.07Å; P599-V603 WeakPolarHBondContact O-CB 3.2Å; P599-V603 WeakPolarHBondContact O-CG2 3.44Å; P599-V603 PolarHBondContact O-N 3.47Å; P599-L625 HydrophobicContact CB-CD2 4.1Å; P599-L625 HydrophobicContact CG-CD2 3.64Å
600	Y	94.9	Very high	93	Very high	15 Å²	15	37.5 Å²	37.5	6%	0.059	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-46.7	176.2	178.7	-109.4	0	0	0	112	Y172 T598 V602 V603 V604 F619 Y623	Y172-Y600 PolarHBondContact OH-OH 3.33Å; T598-Y600 VanDerWaalsContact C-N 3.35Å; T598-Y600 PolarHBondContact O-N 3.49Å; Y600-V602 VanDerWaalsContact C-N 3.32Å; Y600-V602 PolarHBondContact O-N 3.03Å; Y600-V603 PolarHBondContact O-N 3.01Å; Y600-V604 HydrophobicContact CD1-CG2 4.33Å; Y600-V604 HydrophobicContact CD2-CG2 4.09Å; Y600-V604 HydrophobicContact CE1-CG2 3.87Å; Y600-V604 HydrophobicContact CE2-CG2 3.58Å; Y600-V604 HydrophobicContact CG-CG2 4.44Å; Y600-V604 VanDerWaalsContact CZ-CG2 3.46Å; Y600-V604 WeakPolarHBondContact O-CG2 3.39Å; Y600-V604 PolarHBondContact O-N 3.46Å; Y600-F619 HydrophobicContact CE2-CE1 4.32Å; Y600-F619 HydrophobicContact CE2-CZ 4.01Å; Y600-Y623 HydrophobicContact CD2-CD2 4.08Å; Y600-Y623 HydrophobicContact CD2-CG 4.37Å; Y600-Y623 AromaticContact CE2-CD2 3.39Å; Y600-Y623 HydrophobicContact CE2-CD2 3.39Å; Y600-Y623 AromaticContact CE2-CE2 3.8Å; Y600-Y623 HydrophobicContact CE2-CE2 3.8Å; Y600-Y623 HydrophobicContact CE2-CG 4.11Å; Y600-Y623 AromaticContact CZ-CD2 3.96Å; Y600-Y623 AromaticContact CZ-CE2 3.87Å
601	N	94.9	Very high	92.8	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.064	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-35.5	-179.7	-77.3	-87.5	0	0	0	112.3	F263 Y264 W597 T598 L605	F263-N601 VanDerWaalsContact CB-OD1 3.29Å; F263-N601 WeakPolarHBondContact CB-OD1 3.2Å; F263-N601 HydrophobicContact CD1-CB 3.71Å; F263-N601 VanDerWaalsContact CD1-CG 3.45Å; F263-N601 HydrophobicContact CE1-CB 4.06Å; F263-N601 HydrophobicContact CG-CB 4.29Å; F263-N601 WeakPolarHBondContact CG-ND2 3.43Å; Y264-N601 HydrophobicContact CE2-CB 4.32Å; W597-N601 PolarHBondContact O-N 2.92Å; W597-N601 PolarHBondContact O-ND2 3.25Å; T598-N601 PolarHBondContact O-N 3.25Å; N601-L605 WeakPolarHBondContact O-CG 3.34Å; N601-L605 PolarHBondContact O-N 3.05Å
602	V	95.1	Very high	92.4	Very high	68 Å²	68	45.4 Å²	45.4	41%	0.412	24%	0.242	S	C	.	.	H	α-helix	trans	-66.9	-47.1	173.7	172.1	0	0	0	0	110.6	T598 P599 Y600 V604 L605 V606	T598-V602 HydrophobicContact CG2-CG2 3.95Å; T598-V602 WeakPolarHBondContact O-CG2 3.2Å; T598-V602 PolarHBondContact O-N 2.85Å; P599-V602 PolarHBondContact O-N 3.07Å; Y600-V602 VanDerWaalsContact C-N 3.32Å; Y600-V602 PolarHBondContact O-N 3.03Å; V602-V604 PolarHBondContact O-N 2.84Å; V602-L605 PolarHBondContact O-N 3.26Å; V602-V606 HydrophobicContact CG1-CG2 4.28Å; V602-V606 WeakPolarHBondContact O-CG2 3.46Å; V602-V606 PolarHBondContact O-N 3.38Å
603	V	92.8	Very high	92.2	Very high	21 Å²	21	49 Å²	49	13%	0.127	27%	0.267	C	S	.	.	H	α-helix	trans	-58.8	-47.8	178.8	161	0	0	0	0	111.6	P599 Y600 L605 V606 E607 V614 F619	P599-V603 WeakPolarHBondContact O-CB 3.2Å; P599-V603 WeakPolarHBondContact O-CG2 3.44Å; P599-V603 PolarHBondContact O-N 3.47Å; Y600-V603 PolarHBondContact O-N 3.01Å; V603-L605 VanDerWaalsContact C-N 3.31Å; V603-L605 PolarHBondContact O-N 2.92Å; V603-V606 PolarHBondContact O-N 2.97Å; V603-E607 WeakPolarHBondContact O-CB 3.2Å; V603-E607 PolarHBondContact O-N 2.8Å; V603-V614 HydrophobicContact CG1-CB 4.43Å; V603-V614 HydrophobicContact CG1-CG1 3.82Å; V603-V614 HydrophobicContact CG1-CG2 4.39Å; V603-V614 HydrophobicContact CG2-CG1 4.21Å; V603-F619 HydrophobicContact CG1-CB 4.27Å; V603-F619 HydrophobicContact CG1-CD2 3.45Å; V603-F619 VanDerWaalsContact CG1-CD2 3.45Å; V603-F619 HydrophobicContact CG1-CE2 4.13Å; V603-F619 HydrophobicContact CG1-CG 4.19Å
604	V	92	Very high	92	Very high	14 Å²	14	50 Å²	50	9%	0.085	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-39.2	179	168.5	0	0	0	0	111.6	L248 T255 Y600 V602 A608 F619	L248-V604 HydrophobicContact CD1-CG1 4.5Å; T255-V604 HydrophobicContact CG2-CG1 3.61Å; Y600-V604 HydrophobicContact CD1-CG2 4.33Å; Y600-V604 HydrophobicContact CD2-CG2 4.09Å; Y600-V604 HydrophobicContact CE1-CG2 3.87Å; Y600-V604 HydrophobicContact CE2-CG2 3.58Å; Y600-V604 HydrophobicContact CG-CG2 4.44Å; Y600-V604 VanDerWaalsContact CZ-CG2 3.46Å; Y600-V604 WeakPolarHBondContact O-CG2 3.39Å; Y600-V604 PolarHBondContact O-N 3.46Å; V602-V604 PolarHBondContact O-N 2.84Å; V604-A608 VanDerWaalsContact O-CB 3.31Å; V604-A608 WeakPolarHBondContact O-CB 3.32Å; V604-A608 PolarHBondContact O-N 3.4Å; V604-F619 HydrophobicContact CG2-CE2 4.17Å; V604-F619 HydrophobicContact CG2-CZ 4.49Å
605	L	93.4	Very high	91.8	Very high	23 Å²	23	50.5 Å²	50.5	12%	0.12	28%	0.28	C	S	.	.	H	α-helix	trans	-68.1	-45.2	175.3	-72.5	-177.5	0	0	0	112.1	T255 M256 A259 Y264 N601 V602 V603 E607 A608 F609	T255-L605 HydrophobicContact CG2-CD2 4.49Å; M256-L605 HydrophobicContact CB-CD2 4.31Å; M256-L605 HydrophobicContact CE-CD1 4.34Å; M256-L605 HydrophobicContact CE-CD2 4.05Å; M256-L605 HydrophobicContact SD-CD1 4.08Å; M256-L605 HydrophobicContact SD-CD2 3.7Å; A259-L605 HydrophobicContact CB-CD2 4Å; A259-L605 HydrophobicContact CB-CG 4.43Å; Y264-L605 HydrophobicContact CE2-CD1 3.68Å; Y264-L605 WeakPolarHBondContact OH-CD1 3.36Å; N601-L605 WeakPolarHBondContact O-CG 3.34Å; N601-L605 PolarHBondContact O-N 3.05Å; V602-L605 PolarHBondContact O-N 3.26Å; V603-L605 VanDerWaalsContact C-N 3.31Å; V603-L605 PolarHBondContact O-N 2.92Å; L605-E607 VanDerWaalsContact C-N 3.33Å; L605-E607 PolarHBondContact O-N 3.15Å; L605-A608 PolarHBondContact O-N 2.77Å; L605-F609 VanDerWaalsContact O-CD2 3.24Å; L605-F609 WeakPolarHBondContact O-CD2 3.49Å; L605-F609 PolarHBondContact O-N 3.07Å
606	V	93.2	Very high	91.4	Very high	59 Å²	59	53 Å²	53	36%	0.358	30%	0.299	S	S	.	.	H	α-helix	trans	-59.9	-46.6	178.1	171.7	0	0	0	0	110.3	V602 V603 A608 F609 F610 V614	V602-V606 HydrophobicContact CG1-CG2 4.28Å; V602-V606 WeakPolarHBondContact O-CG2 3.46Å; V602-V606 PolarHBondContact O-N 3.38Å; V603-V606 PolarHBondContact O-N 2.97Å; V606-A608 VanDerWaalsContact C-N 3.29Å; V606-A608 PolarHBondContact O-N 3.39Å; V606-F609 PolarHBondContact O-N 3.45Å; V606-F610 HydrophobicContact CG1-CD2 4.44Å; V606-F610 WeakPolarHBondContact O-CA 3.48Å; V606-F610 WeakPolarHBondContact O-CB 3.38Å; V606-F610 PolarHBondContact O-N 2.94Å; V606-V614 HydrophobicContact CB-CG2 4.18Å; V606-V614 HydrophobicContact CG1-CG2 3.78Å
607	E	88.4	Confident	91	Very high	41 Å²	41	57 Å²	57	19%	0.192	32%	0.32	C	S	.	.	H	α-helix	trans	-62.3	-35.8	178.1	-171.1	62	-158	0	0	112.2	V603 L605 F610 P611 L612 V614	V603-E607 WeakPolarHBondContact O-CB 3.2Å; V603-E607 PolarHBondContact O-N 2.8Å; L605-E607 VanDerWaalsContact C-N 3.33Å; L605-E607 PolarHBondContact O-N 3.15Å; E607-F610 CarbonylContact O-C 3.45Å; E607-P611 WeakPolarHBondContact O-CA 3.4Å; E607-L612 PolarHBondContact OE1-N 3.27Å; E607-V614 HydrophobicContact CB-CG2 4.42Å; E607-V614 PolarHBondContact OE2-N 2.99Å
608	A	90.4	Very high	90.8	Very high	9 Å²	9	58.8 Å²	58.8	7%	0.074	33%	0.331	C	S	.	.	H	α-helix	trans	-66.6	-37.8	177.9	0	0	0	0	0	113.3	P252 T255 V604 L605 V606	P252-A608 HydrophobicContact CB-CB 4.26Å; T255-A608 HydrophobicContact CG2-CB 3.66Å; V604-A608 VanDerWaalsContact O-CB 3.31Å; V604-A608 WeakPolarHBondContact O-CB 3.32Å; V604-A608 PolarHBondContact O-N 3.4Å; L605-A608 PolarHBondContact O-N 2.77Å; V606-A608 VanDerWaalsContact C-N 3.29Å; V606-A608 PolarHBondContact O-N 3.39Å
609	F	91.7	Very high	90.4	Very high	90 Å²	90	59.3 Å²	59.3	40%	0.395	33%	0.33	S	S	.	.	H	α-helix	trans	-90.8	-26.4	178.9	-71.1	-77.6	0	0	0	113.5	P252 M256 L605 V606	P252-F609 HydrophobicContact CB-CD1 4.2Å; P252-F609 HydrophobicContact CB-CE1 4Å; P252-F609 HydrophobicContact CB-CZ 4.23Å; M256-F609 HydrophobicContact CE-CE2 3.51Å; M256-F609 HydrophobicContact CE-CZ 3.8Å; L605-F609 VanDerWaalsContact O-CD2 3.24Å; L605-F609 WeakPolarHBondContact O-CD2 3.49Å; L605-F609 PolarHBondContact O-N 3.07Å; V606-F609 PolarHBondContact O-N 3.45Å
610	F	91.1	Very high	90.2	Very high	132 Å²	132	58.3 Å²	58.3	58%	0.579	32%	0.322	S	S	*	.	S	Bend	trans	-132.8	77.8	-178	-53.5	-79.8	0	0	0	109.5	V606 E607 S613	V606-F610 HydrophobicContact CG1-CD2 4.44Å; V606-F610 WeakPolarHBondContact O-CA 3.48Å; V606-F610 WeakPolarHBondContact O-CB 3.38Å; V606-F610 PolarHBondContact O-N 2.94Å; E607-F610 CarbonylContact O-C 3.45Å; F610-S613 WeakPolarHBondContact CB-OG 3.31Å; F610-S613 WeakPolarHBondContact O-CB 3.46Å; F610-S613 PolarHBondContact O-N 2.88Å; F610-S613 PolarHBondContact O-OG 3.29Å
611	P	86	Confident	90.1	Very high	86 Å²	86	59.2 Å²	59.2	56%	0.558	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	145.6	-178.3	-24.7	34.5	0	0	0	112.2	E607 S613	E607-P611 WeakPolarHBondContact O-CA 3.4Å; P611-S613 PolarHBondContact O-N 3.09Å; P611-S613 VanDerWaalsContact O-N 3.12Å
612	L	82.5	Confident	90.1	Very high	164 Å²	164	59 Å²	59	86%	0.859	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	10.2	-179.7	-52.7	173.9	0	0	0	114.9	E607	E607-L612 PolarHBondContact OE1-N 3.27Å
613	S	86.7	Confident	90.1	Very high	75 Å²	75	56.5 Å²	56.5	52%	0.524	31%	0.311	S	S	.	.			trans	-84.2	-21.1	179.7	-60.1	0	0	0	0	112.6	F610 P611 P615	F610-S613 WeakPolarHBondContact CB-OG 3.31Å; F610-S613 WeakPolarHBondContact O-CB 3.46Å; F610-S613 PolarHBondContact O-N 2.88Å; F610-S613 PolarHBondContact O-OG 3.29Å; P611-S613 PolarHBondContact O-N 3.09Å; P611-S613 VanDerWaalsContact O-N 3.12Å; S613-P615 WeakPolarHBondContact O-CD 3.42Å
614	V	87.4	Confident	90.3	Very high	23 Å²	23	56.9 Å²	56.9	14%	0.139	31%	0.31	C	S	.	.	S	Bend	trans	-97.7	121.1	-179.9	-173.3	0	0	0	0	110.8	V603 V606 E607 L618	V603-V614 HydrophobicContact CG1-CB 4.43Å; V603-V614 HydrophobicContact CG1-CG1 3.82Å; V603-V614 HydrophobicContact CG1-CG2 4.39Å; V603-V614 HydrophobicContact CG2-CG1 4.21Å; V606-V614 HydrophobicContact CB-CG2 4.18Å; V606-V614 HydrophobicContact CG1-CG2 3.78Å; E607-V614 HydrophobicContact CB-CG2 4.42Å; E607-V614 PolarHBondContact OE2-N 2.99Å; V614-L618 HydrophobicContact CG1-CB 3.99Å
615	P	90	Very high	90.4	Very high	57 Å²	57	56.9 Å²	56.9	37%	0.37	31%	0.31	S	S	.	.			trans	-54.1	137.1	172.7	-27.3	32.6	0	0	0	112.7	S613 I617 L618 F619	S613-P615 WeakPolarHBondContact O-CD 3.42Å; P615-I617 HydrophobicContact CB-CG2 4.09Å; P615-I617 PolarHBondContact O-N 3Å; P615-I617 VanDerWaalsContact O-N 3.08Å; P615-L618 HydrophobicContact CB-CG 4.43Å; P615-L618 HydrophobicContact CG-CD1 4.18Å; P615-L618 PolarHBondContact O-N 3.05Å; P615-F619 PolarHBondContact O-N 3.43Å
616	P	86	Confident	90.6	Very high	105 Å²	105	55.9 Å²	55.9	68%	0.682	31%	0.305	S	S	*	.	H	α-helix	trans	-55.1	-33.3	-178.7	-28.5	35	0	0	0	114.2	F619 T620	P616-F619 PolarHBondContact O-N 3.05Å; P616-T620 WeakPolarHBondContact O-CB 3.33Å; P616-T620 PolarHBondContact O-N 3.47Å; P616-T620 PolarHBondContact O-OG1 2.92Å
617	I	87.9	Confident	90.7	Very high	87 Å²	87	53.1 Å²	53.1	45%	0.446	29%	0.288	S	S	.	.	H	α-helix	trans	-64.5	-40.2	177.2	-172.8	59.8	0	0	0	112	P615 T620 L621	P615-I617 HydrophobicContact CB-CG2 4.09Å; P615-I617 PolarHBondContact O-N 3Å; P615-I617 VanDerWaalsContact O-N 3.08Å; I617-T620 PolarHBondContact O-N 3.29Å; I617-L621 HydrophobicContact CD1-CD1 4.36Å; I617-L621 HydrophobicContact CD1-CG 4.22Å; I617-L621 HydrophobicContact CG1-CD1 4.04Å; I617-L621 HydrophobicContact CG1-CG 4.34Å; I617-L621 WeakPolarHBondContact O-CB 3.29Å; I617-L621 VanDerWaalsContact O-CG 3.23Å; I617-L621 WeakPolarHBondContact O-CG 3.22Å; I617-L621 PolarHBondContact O-N 3.47Å
618	L	89.8	Confident	91.1	Very high	62 Å²	62	52.8 Å²	52.8	33%	0.325	29%	0.287	S	S	.	.	H	α-helix	trans	-68.5	-40.5	177.6	-72.8	-177.4	0	0	0	111.1	S35 V614 P615 T620 L621 S622	S35-L618 WeakPolarHBondContact OG-CD2 3.29Å; V614-L618 HydrophobicContact CG1-CB 3.99Å; P615-L618 HydrophobicContact CB-CG 4.43Å; P615-L618 HydrophobicContact CG-CD1 4.18Å; P615-L618 PolarHBondContact O-N 3.05Å; L618-T620 PolarHBondContact O-N 3.06Å; L618-L621 PolarHBondContact O-N 3.08Å; L618-S622 VanDerWaalsContact O-CB 3.25Å; L618-S622 WeakPolarHBondContact O-CB 3.4Å; L618-S622 PolarHBondContact O-N 3.21Å; L618-S622 PolarHBondContact O-OG 3.23Å
619	F	89	Confident	91.2	Very high	55 Å²	55	52.5 Å²	52.5	24%	0.241	28%	0.284	C	S	.	.	H	α-helix	trans	-57.2	-50.8	173.1	-167.6	-81.3	0	0	0	110.8	Y600 V603 V604 P615 P616 S622 Y623	Y600-F619 HydrophobicContact CE2-CE1 4.32Å; Y600-F619 HydrophobicContact CE2-CZ 4.01Å; V603-F619 HydrophobicContact CG1-CB 4.27Å; V603-F619 HydrophobicContact CG1-CD2 3.45Å; V603-F619 VanDerWaalsContact CG1-CD2 3.45Å; V603-F619 HydrophobicContact CG1-CE2 4.13Å; V603-F619 HydrophobicContact CG1-CG 4.19Å; V604-F619 HydrophobicContact CG2-CE2 4.17Å; V604-F619 HydrophobicContact CG2-CZ 4.49Å; P615-F619 PolarHBondContact O-N 3.43Å; P616-F619 PolarHBondContact O-N 3.05Å; F619-S622 PolarHBondContact O-N 3.38Å; F619-S622 PolarHBondContact O-OG 2.99Å; F619-Y623 AromaticContact CE1-CD2 3.97Å; F619-Y623 HydrophobicContact CE1-CD2 3.97Å; F619-Y623 PolarHBondContact O-N 3.37Å
620	T	91.2	Very high	91.3	Very high	26 Å²	26	48.2 Å²	48.2	16%	0.16	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-50.2	179.4	-60	0	0	0	0	112.2	M148 T152 P616 I617 L618 S622 Y623 Y624	M148-T620 HydrophobicContact CE-CG2 4.4Å; T152-T620 HydrophobicContact CG2-CG2 3.64Å; P616-T620 WeakPolarHBondContact O-CB 3.33Å; P616-T620 PolarHBondContact O-N 3.47Å; P616-T620 PolarHBondContact O-OG1 2.92Å; I617-T620 PolarHBondContact O-N 3.29Å; L618-T620 PolarHBondContact O-N 3.06Å; T620-S622 VanDerWaalsContact C-N 3.32Å; T620-S622 PolarHBondContact O-N 3.4Å; T620-Y623 WeakPolarHBondContact O-CB 3.43Å; T620-Y623 PolarHBondContact O-N 3.24Å; T620-Y624 HydrophobicContact CG2-CD2 3.9Å; T620-Y624 HydrophobicContact CG2-CE2 3.89Å; T620-Y624 WeakPolarHBondContact O-CD2 3.49Å; T620-Y624 PolarHBondContact O-N 2.74Å
621	L	93.6	Very high	91.5	Very high	35 Å²	35	42.2 Å²	42.2	18%	0.183	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-41	179.3	-71.6	175.4	0	0	0	111.6	L31 I34 I617 L618 Y623 Y624 L625	L31-L621 HydrophobicContact CD2-CD2 4.1Å; I34-L621 HydrophobicContact CG2-CD1 4Å; I617-L621 HydrophobicContact CD1-CD1 4.36Å; I617-L621 HydrophobicContact CD1-CG 4.22Å; I617-L621 HydrophobicContact CG1-CD1 4.04Å; I617-L621 HydrophobicContact CG1-CG 4.34Å; I617-L621 WeakPolarHBondContact O-CB 3.29Å; I617-L621 VanDerWaalsContact O-CG 3.23Å; I617-L621 WeakPolarHBondContact O-CG 3.22Å; I617-L621 PolarHBondContact O-N 3.47Å; L618-L621 PolarHBondContact O-N 3.08Å; L621-Y623 VanDerWaalsContact C-N 3.31Å; L621-Y623 PolarHBondContact O-N 2.95Å; L621-Y624 PolarHBondContact O-N 3.11Å; L621-L625 WeakPolarHBondContact O-CB 3.18Å; L621-L625 PolarHBondContact O-N 3.42Å
622	S	94.9	Very high	91.8	Very high	8 Å²	8	38.4 Å²	38.4	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-36.2	177.6	77.2	0	0	0	0	112.4	L618 F619 T620 L625 C626	L618-S622 VanDerWaalsContact O-CB 3.25Å; L618-S622 WeakPolarHBondContact O-CB 3.4Å; L618-S622 PolarHBondContact O-N 3.21Å; L618-S622 PolarHBondContact O-OG 3.23Å; F619-S622 PolarHBondContact O-N 3.38Å; F619-S622 PolarHBondContact O-OG 2.99Å; T620-S622 VanDerWaalsContact C-N 3.32Å; T620-S622 PolarHBondContact O-N 3.4Å; S622-L625 WeakPolarHBondContact O-CB 3.47Å; S622-L625 PolarHBondContact O-N 2.98Å; S622-C626 PolarHBondContact O-N 2.87Å; S622-C626 VanDerWaalsContact O-N 3.13Å
623	Y	94.5	Very high	92.1	Very high	14 Å²	14	30.6 Å²	30.6	6%	0.055	17%	0.174	C	C	.	.	H	α-helix	trans	-67.7	-46.7	174.7	-149	-58.1	0	0	0	111.7	M148 D171 Y172 Y600 F619 T620 L621 L625 C626 Y627	M148-Y623 HydrophobicContact CE-CD1 4.45Å; M148-Y623 HydrophobicContact CE-CD2 4.31Å; M148-Y623 HydrophobicContact CE-CG 3.99Å; M148-Y623 HydrophobicContact SD-CD1 4.42Å; M148-Y623 HydrophobicContact SD-CG 4.44Å; D171-Y623 PolarHBondContact OD2-OH 3.45Å; Y172-Y623 WeakPolarHBondContact CE2-OH 3.39Å; Y600-Y623 HydrophobicContact CD2-CD2 4.08Å; Y600-Y623 HydrophobicContact CD2-CG 4.37Å; Y600-Y623 AromaticContact CE2-CD2 3.39Å; Y600-Y623 HydrophobicContact CE2-CD2 3.39Å; Y600-Y623 AromaticContact CE2-CE2 3.8Å; Y600-Y623 HydrophobicContact CE2-CE2 3.8Å; Y600-Y623 HydrophobicContact CE2-CG 4.11Å; Y600-Y623 AromaticContact CZ-CD2 3.96Å; Y600-Y623 AromaticContact CZ-CE2 3.87Å; F619-Y623 AromaticContact CE1-CD2 3.97Å; F619-Y623 HydrophobicContact CE1-CD2 3.97Å; F619-Y623 PolarHBondContact O-N 3.37Å; T620-Y623 WeakPolarHBondContact O-CB 3.43Å; T620-Y623 PolarHBondContact O-N 3.24Å; L621-Y623 VanDerWaalsContact C-N 3.31Å; L621-Y623 PolarHBondContact O-N 2.95Å; Y623-L625 PolarHBondContact O-N 3.34Å; Y623-C626 PolarHBondContact O-N 2.96Å; Y623-C626 VanDerWaalsContact O-N 3.16Å; Y623-C626 PolarHBondContact O-SG 3.49Å; Y623-Y627 HydrophobicContact CD1-CD2 4.18Å; Y623-Y627 HydrophobicContact CD1-CE1 4.23Å; Y623-Y627 AromaticContact CD1-CE2 3.7Å; Y623-Y627 HydrophobicContact CD1-CE2 3.7Å; Y623-Y627 AromaticContact CD1-CZ 3.74Å; Y623-Y627 AromaticContact CE1-CE1 3.76Å; Y623-Y627 HydrophobicContact CE1-CE1 3.76Å; Y623-Y627 AromaticContact CE1-CE2 3.8Å; Y623-Y627 HydrophobicContact CE1-CE2 3.8Å; Y623-Y627 AromaticContact CE1-CZ 3.33Å; Y623-Y627 VanDerWaalsContact CE1-OH 3.23Å; Y623-Y627 WeakPolarHBondContact CE1-OH 3.46Å; Y623-Y627 PolarHBondContact O-N 3.48Å; Y623-Y627 VanDerWaalsContact O-N 3.15Å
624	Y	96.1	Very high	92.3	Very high	30 Å²	30	27.3 Å²	27.3	12%	0.118	15%	0.151	C	C	.	.	H	α-helix	trans	-62	-32	174.2	-85.6	-75	0	0	0	112.2	L101 M148 T149 T152 T620 L621 Y627 L628	L101-Y624 HydrophobicContact CD2-CD1 3.76Å; L101-Y624 HydrophobicContact CD2-CE1 4.29Å; M148-Y624 HydrophobicContact CE-CE2 4.46Å; M148-Y624 HydrophobicContact CG-CE2 4.14Å; T149-Y624 VanDerWaalsContact CA-OH 3.23Å; T149-Y624 WeakPolarHBondContact CA-OH 3.39Å; T149-Y624 PolarHBondContact OG1-OH 3.4Å; T149-Y624 VanDerWaalsContact OG1-OH 3.11Å; T152-Y624 HydrophobicContact CG2-CE2 4.36Å; T620-Y624 HydrophobicContact CG2-CD2 3.9Å; T620-Y624 HydrophobicContact CG2-CE2 3.89Å; T620-Y624 WeakPolarHBondContact O-CD2 3.49Å; T620-Y624 PolarHBondContact O-N 2.74Å; L621-Y624 PolarHBondContact O-N 3.11Å; Y624-Y627 HydrophobicContact CD1-CD2 4.37Å; Y624-Y627 PolarHBondContact O-N 2.82Å; Y624-L628 PolarHBondContact O-N 2.83Å
625	L	95.7	Very high	92.3	Very high	13 Å²	13	30.1 Å²	30.1	7%	0.068	16%	0.161	C	C	.	.	H	α-helix	trans	-67.1	-35.8	175.9	-176.2	56.5	0	0	0	112.5	I27 L31 T596 P599 L621 S622 Y623 L628	I27-L625 HydrophobicContact CG2-CD1 4.32Å; L31-L625 HydrophobicContact CD1-CB 4.3Å; L31-L625 HydrophobicContact CD1-CD1 3.62Å; L31-L625 HydrophobicContact CD1-CD2 3.95Å; L31-L625 HydrophobicContact CD1-CG 4.15Å; T596-L625 WeakPolarHBondContact CB-O 3.4Å; T596-L625 HydrophobicContact CG2-CD1 4.12Å; T596-L625 CarbonylContact O-C 3.52Å; T596-L625 VanDerWaalsContact O-C 3.29Å; P599-L625 HydrophobicContact CB-CD2 4.1Å; P599-L625 HydrophobicContact CG-CD2 3.64Å; L621-L625 WeakPolarHBondContact O-CB 3.18Å; L621-L625 PolarHBondContact O-N 3.42Å; S622-L625 WeakPolarHBondContact O-CB 3.47Å; S622-L625 PolarHBondContact O-N 2.98Å; Y623-L625 PolarHBondContact O-N 3.34Å; L625-L628 HydrophobicContact CD1-CD1 4.08Å; L625-L628 WeakPolarHBondContact O-CB 3.5Å; L625-L628 PolarHBondContact O-N 2.9Å
626	C	95.6	Very high	92.1	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.02	14%	0.144	C	C	.	.	H	α-helix	trans	-70.3	-35	172.3	72.6	0	0	0	0	112.1	T596 W597 S622 Y623 L628 N629	T596-C626 VanDerWaalsContact O-CA 3.29Å; T596-C626 WeakPolarHBondContact O-CA 3.48Å; T596-C626 PolarHBondContact O-N 2.97Å; W597-C626 HydrophobicContact CD2-CB 4.07Å; W597-C626 HydrophobicContact CE3-CB 4.1Å; W597-C626 HydrophobicContact CH2-CB 4.41Å; W597-C626 HydrophobicContact CZ2-CB 4.45Å; W597-C626 HydrophobicContact CZ3-CB 4.28Å; S622-C626 PolarHBondContact O-N 2.87Å; S622-C626 VanDerWaalsContact O-N 3.13Å; Y623-C626 PolarHBondContact O-N 2.96Å; Y623-C626 VanDerWaalsContact O-N 3.16Å; Y623-C626 PolarHBondContact O-SG 3.49Å; C626-L628 VanDerWaalsContact C-N 3.32Å; C626-L628 PolarHBondContact O-N 3.43Å; C626-N629 WeakPolarHBondContact O-CB 3.2Å; C626-N629 PolarHBondContact O-N 2.92Å; C626-N629 VanDerWaalsContact O-N 3.14Å
627	Y	96.9	Very high	92	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.1	-33.4	171.8	-73.3	-27.6	0	0	0	114	V140 S144 I145 M148 D171 Y623 Y624 N629 S630 T631	V140-Y627 HydrophobicContact CG1-CD1 3.63Å; V140-Y627 HydrophobicContact CG1-CE1 3.94Å; V140-Y627 HydrophobicContact CG1-CG 4.46Å; S144-Y627 WeakPolarHBondContact CB-OH 3.33Å; S144-Y627 PolarHBondContact O-OH 3.05Å; I145-Y627 HydrophobicContact CD1-CG 4.43Å; I145-Y627 HydrophobicContact CG1-CD1 4.3Å; I145-Y627 HydrophobicContact CG1-CD2 3.65Å; I145-Y627 HydrophobicContact CG1-CE2 4.13Å; I145-Y627 HydrophobicContact CG1-CG 3.74Å; M148-Y627 HydrophobicContact CB-CE2 3.62Å; M148-Y627 HydrophobicContact CG-CE2 3.81Å; D171-Y627 VanDerWaalsContact OD1-CE1 3.31Å; D171-Y627 WeakPolarHBondContact OD1-CE1 3Å; D171-Y627 PolarHBondContact OD1-OH 2.86Å; D171-Y627 PolarHBondContact OD2-OH 3.41Å; Y623-Y627 HydrophobicContact CD1-CD2 4.18Å; Y623-Y627 HydrophobicContact CD1-CE1 4.23Å; Y623-Y627 AromaticContact CD1-CE2 3.7Å; Y623-Y627 HydrophobicContact CD1-CE2 3.7Å; Y623-Y627 AromaticContact CD1-CZ 3.74Å; Y623-Y627 AromaticContact CE1-CE1 3.76Å; Y623-Y627 HydrophobicContact CE1-CE1 3.76Å; Y623-Y627 AromaticContact CE1-CE2 3.8Å; Y623-Y627 HydrophobicContact CE1-CE2 3.8Å; Y623-Y627 AromaticContact CE1-CZ 3.33Å; Y623-Y627 VanDerWaalsContact CE1-OH 3.23Å; Y623-Y627 WeakPolarHBondContact CE1-OH 3.46Å; Y623-Y627 PolarHBondContact O-N 3.48Å; Y623-Y627 VanDerWaalsContact O-N 3.15Å; Y624-Y627 HydrophobicContact CD1-CD2 4.37Å; Y624-Y627 PolarHBondContact O-N 2.82Å; Y627-N629 PolarHBondContact O-N 3.39Å; Y627-N629 VanDerWaalsContact O-N 3.1Å; Y627-S630 WeakPolarHBondContact O-CB 3.14Å; Y627-S630 PolarHBondContact O-N 3.05Å; Y627-T631 PolarHBondContact O-OG1 3.26Å
628	L	95.2	Very high	91.8	Very high	35 Å²	35	19.3 Å²	19.3	18%	0.183	10%	0.098	C	C	.	.	H	α-helix	trans	-57.6	-24.5	174.2	-83.2	167.6	0	0	0	112.4	I27 L101 T596 Y624 L625 C626 S630 T631 I632	I27-L628 HydrophobicContact CG2-CD1 4.01Å; L101-L628 HydrophobicContact CD1-CD2 3.51Å; L101-L628 HydrophobicContact CD1-CG 4.23Å; T596-L628 HydrophobicContact CG2-CB 4.45Å; Y624-L628 PolarHBondContact O-N 2.83Å; L625-L628 HydrophobicContact CD1-CD1 4.08Å; L625-L628 WeakPolarHBondContact O-CB 3.5Å; L625-L628 PolarHBondContact O-N 2.9Å; C626-L628 VanDerWaalsContact C-N 3.32Å; C626-L628 PolarHBondContact O-N 3.43Å; L628-S630 VanDerWaalsContact C-N 3.32Å; L628-S630 PolarHBondContact O-N 3.33Å; L628-T631 WeakPolarHBondContact O-CB 3.48Å; L628-T631 PolarHBondContact O-N 3.4Å; L628-T631 VanDerWaalsContact O-N 3.14Å; L628-I632 HydrophobicContact CB-CD1 4.31Å; L628-I632 WeakPolarHBondContact O-CB 3.43Å; L628-I632 WeakPolarHBondContact O-CD1 3.36Å; L628-I632 VanDerWaalsContact O-CG1 3.25Å; L628-I632 WeakPolarHBondContact O-CG1 3.22Å; L628-I632 PolarHBondContact O-N 3.37Å
629	N	93.3	Very high	91.3	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.011	10%	0.1	C	C	.	.	H	α-helix	trans	-52.6	-50.7	172.3	-170.4	-92.6	0	0	0	112.1	F593 T596 C626 Y627 T631 I632 N633	F593-N629 WeakPolarHBondContact CA-ND2 3.18Å; T596-N629 HydrophobicContact CG2-CB 4.49Å; T596-N629 WeakPolarHBondContact OG1-CB 3.42Å; T596-N629 PolarHBondContact OG1-ND2 3.27Å; C626-N629 WeakPolarHBondContact O-CB 3.2Å; C626-N629 PolarHBondContact O-N 2.92Å; C626-N629 VanDerWaalsContact O-N 3.14Å; Y627-N629 PolarHBondContact O-N 3.39Å; Y627-N629 VanDerWaalsContact O-N 3.1Å; N629-T631 PolarHBondContact O-N 2.99Å; N629-I632 PolarHBondContact O-N 2.69Å; N629-N633 PolarHBondContact O-N 3.14Å; N629-N633 PolarHBondContact O-ND2 3.21Å
630	S	94.2	Very high	90.8	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-64.3	-30.7	-179.8	-55.6	0	0	0	0	111.9	N109 D137 Y627 L628	N109-S630 PolarHBondContact ND2-O 2.86Å; D137-S630 PolarHBondContact OD1-OG 3.16Å; Y627-S630 WeakPolarHBondContact O-CB 3.14Å; Y627-S630 PolarHBondContact O-N 3.05Å; L628-S630 VanDerWaalsContact C-N 3.32Å; L628-S630 PolarHBondContact O-N 3.33Å
631	T	94.4	Very high	90.2	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-74.1	-39.2	176.3	-41.8	0	0	0	0	112.4	L101 L104 T105 Y627 L628 N629 P634 F635	L101-T631 HydrophobicContact CD1-CG2 3.97Å; L101-T631 VanDerWaalsContact CD1-OG1 3.25Å; L101-T631 WeakPolarHBondContact CD1-OG1 3.31Å; L104-T631 HydrophobicContact CB-CG2 4.2Å; L104-T631 HydrophobicContact CD2-CG2 3.61Å; L104-T631 HydrophobicContact CG-CG2 3.68Å; T105-T631 WeakPolarHBondContact OG1-CB 3.36Å; T105-T631 PolarHBondContact OG1-OG1 3.34Å; Y627-T631 PolarHBondContact O-OG1 3.26Å; L628-T631 WeakPolarHBondContact O-CB 3.48Å; L628-T631 PolarHBondContact O-N 3.4Å; L628-T631 VanDerWaalsContact O-N 3.14Å; N629-T631 PolarHBondContact O-N 2.99Å; T631-P634 WeakPolarHBondContact O-CD 3.47Å; T631-F635 HydrophobicContact CG2-CE2 4.47Å; T631-F635 VanDerWaalsContact O-CD2 3.27Å; T631-F635 WeakPolarHBondContact O-CD2 3.31Å
632	I	92.4	Very high	89.6	Confident	6 Å²	6	25.2 Å²	25.2	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-72.9	-28.8	-173.3	-74.3	158.3	0	0	0	112.3	L24 A592 T596 L628 N629 F635 C636	L24-I632 HydrophobicContact CD2-CD1 3.49Å; L24-I632 VanDerWaalsContact CD2-CD1 3.49Å; L24-I632 HydrophobicContact CD2-CG1 4.28Å; L24-I632 HydrophobicContact CD2-CG2 4.21Å; A592-I632 HydrophobicContact CB-CG2 4.17Å; T596-I632 HydrophobicContact CG2-CD1 3.91Å; L628-I632 HydrophobicContact CB-CD1 4.31Å; L628-I632 WeakPolarHBondContact O-CB 3.43Å; L628-I632 WeakPolarHBondContact O-CD1 3.36Å; L628-I632 VanDerWaalsContact O-CG1 3.25Å; L628-I632 WeakPolarHBondContact O-CG1 3.22Å; L628-I632 PolarHBondContact O-N 3.37Å; N629-I632 PolarHBondContact O-N 2.69Å; I632-F635 WeakPolarHBondContact O-CB 3.39Å; I632-F635 PolarHBondContact O-N 2.81Å; I632-F635 VanDerWaalsContact O-N 3.11Å; I632-C636 VanDerWaalsContact CG2-SG 3.53Å; I632-C636 PolarHBondContact O-N 3.02Å; I632-C636 PolarHBondContact O-SG 2.91Å; I632-C636 VanDerWaalsContact O-SG 3.33Å
633	N	90	Very high	89.1	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-54.4	-52.9	-174.8	-75.3	-24.1	0	0	0	113.9	D137 N629 F635 C636 Y637	D137-N633 PolarHBondContact OD2-ND2 3.12Å; N629-N633 PolarHBondContact O-N 3.14Å; N629-N633 PolarHBondContact O-ND2 3.21Å; N633-F635 VanDerWaalsContact C-N 3.29Å; N633-F635 PolarHBondContact O-N 3.46Å; N633-C636 VanDerWaalsContact O-CB 3.29Å; N633-C636 WeakPolarHBondContact O-CB 3.45Å; N633-C636 PolarHBondContact O-N 3.26Å; N633-C636 VanDerWaalsContact O-N 3.07Å; N633-Y637 HydrophobicContact CB-CE2 4.14Å; N633-Y637 WeakPolarHBondContact O-CD2 3.16Å; N633-Y637 VanDerWaalsContact O-CE2 3.29Å; N633-Y637 WeakPolarHBondContact O-CE2 3.48Å; N633-Y637 PolarHBondContact O-N 2.92Å
634	P	90.7	Very high	88.6	Confident	5 Å²	5	26.3 Å²	26.3	3%	0.032	13%	0.133	C	C	.	.	H	α-helix	trans	-53.3	-39.9	173.9	-29.6	35.1	0	0	0	115	N109 V112 T631 Y637 A638	N109-P634 HydrophobicContact CB-CG 4.48Å; N109-P634 WeakPolarHBondContact OD1-CG 3.09Å; V112-P634 HydrophobicContact CG2-CB 4.05Å; V112-P634 HydrophobicContact CG2-CG 4.06Å; T631-P634 WeakPolarHBondContact O-CD 3.47Å; P634-Y637 PolarHBondContact O-N 3.22Å; P634-A638 PolarHBondContact O-N 3.31Å
635	F	87.5	Confident	88.3	Confident	83 Å²	83	30.8 Å²	30.8	36%	0.364	15%	0.15	S	C	.	.	H	α-helix	trans	-67.1	-38.8	177.7	-68.2	-80.4	0	0	0	111.5	L104 T631 I632 N633 Y637 A638 L639	L104-F635 HydrophobicContact CD1-CE2 3.94Å; L104-F635 HydrophobicContact CD1-CZ 3.66Å; L104-F635 HydrophobicContact CD2-CE2 3.87Å; L104-F635 HydrophobicContact CD2-CZ 3.95Å; L104-F635 HydrophobicContact CG-CE2 4Å; L104-F635 HydrophobicContact CG-CZ 4.15Å; T631-F635 HydrophobicContact CG2-CE2 4.47Å; T631-F635 VanDerWaalsContact O-CD2 3.27Å; T631-F635 WeakPolarHBondContact O-CD2 3.31Å; I632-F635 WeakPolarHBondContact O-CB 3.39Å; I632-F635 PolarHBondContact O-N 2.81Å; I632-F635 VanDerWaalsContact O-N 3.11Å; N633-F635 VanDerWaalsContact C-N 3.29Å; N633-F635 PolarHBondContact O-N 3.46Å; F635-Y637 VanDerWaalsContact C-N 3.28Å; F635-Y637 PolarHBondContact O-N 3.07Å; F635-A638 PolarHBondContact O-N 3.33Å; F635-L639 WeakPolarHBondContact O-CB 3.45Å; F635-L639 VanDerWaalsContact O-CG 3.3Å; F635-L639 WeakPolarHBondContact O-CG 3.35Å; F635-L639 PolarHBondContact O-N 3.4Å
636	C	85.8	Confident	87.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57	-44.1	174.1	-64.6	0	0	0	0	111.5	M20 I589 I632 N633 C640	M20-C636 HydrophobicContact CE-CB 3.67Å; M20-C636 WeakPolarHBondContact CE-SG 3.44Å; M20-C636 VanDerWaalsContact SD-CA 3.57Å; M20-C636 HydrophobicContact SD-CB 3.98Å; M20-C636 PolarHBondContact SD-SG 3.28Å; I589-C636 HydrophobicContact CD1-CB 4.19Å; I589-C636 HydrophobicContact CG1-CB 3.77Å; I632-C636 VanDerWaalsContact CG2-SG 3.53Å; I632-C636 PolarHBondContact O-N 3.02Å; I632-C636 PolarHBondContact O-SG 2.91Å; I632-C636 VanDerWaalsContact O-SG 3.33Å; N633-C636 VanDerWaalsContact O-CB 3.29Å; N633-C636 WeakPolarHBondContact O-CB 3.45Å; N633-C636 PolarHBondContact O-N 3.26Å; N633-C636 VanDerWaalsContact O-N 3.07Å; C636-C640 WeakPolarHBondContact O-CB 3.37Å; C636-C640 PolarHBondContact O-N 2.93Å; C636-C640 PolarHBondContact O-SG 3.3Å
637	Y	83.1	Confident	87.6	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-67.4	-42.8	178.2	-51.4	-45.4	0	0	0	112.3	V112 L130 L133 I589 N633 P634 F635 N641	V112-Y637 HydrophobicContact CG1-CD2 4.47Å; V112-Y637 HydrophobicContact CG2-CD2 3.87Å; V112-Y637 HydrophobicContact CG2-CE2 4.26Å; L130-Y637 HydrophobicContact CD1-CD1 4.4Å; L130-Y637 HydrophobicContact CD1-CE1 4.28Å; L130-Y637 HydrophobicContact CD2-CD1 4.49Å; L130-Y637 HydrophobicContact CD2-CE1 3.61Å; L130-Y637 HydrophobicContact CG-CE1 4.48Å; L133-Y637 WeakPolarHBondContact CD2-OH 3.26Å; I589-Y637 HydrophobicContact CD1-CE1 4.06Å; N633-Y637 HydrophobicContact CB-CE2 4.14Å; N633-Y637 WeakPolarHBondContact O-CD2 3.16Å; N633-Y637 VanDerWaalsContact O-CE2 3.29Å; N633-Y637 WeakPolarHBondContact O-CE2 3.48Å; N633-Y637 PolarHBondContact O-N 2.92Å; P634-Y637 PolarHBondContact O-N 3.22Å; F635-Y637 VanDerWaalsContact C-N 3.28Å; F635-Y637 PolarHBondContact O-N 3.07Å; Y637-N641 WeakPolarHBondContact O-CA 3.33Å; Y637-N641 VanDerWaalsContact O-CB 3.29Å; Y637-N641 WeakPolarHBondContact O-CB 3.48Å; Y637-N641 PolarHBondContact O-N 3.5Å
638	A	83.4	Confident	87.3	Confident	20 Å²	20	38.7 Å²	38.7	17%	0.165	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-43.1	178.1	0	0	0	0	0	112.5	P634 F635 R645 Y648	P634-A638 PolarHBondContact O-N 3.31Å; F635-A638 PolarHBondContact O-N 3.33Å; A638-R645 VanDerWaalsContact O-CB 3.3Å; A638-R645 WeakPolarHBondContact O-CB 3.34Å; A638-R645 WeakPolarHBondContact O-CD 3.39Å; A638-R645 WeakPolarHBondContact O-CG 3.48Å; A638-Y648 HydrophobicContact CB-CD2 3.74Å; A638-Y648 HydrophobicContact CB-CE2 3.73Å
639	L	80.7	Confident	87	Confident	68 Å²	68	40.9 Å²	40.9	36%	0.356	19%	0.194	S	C	.	.	H	α-helix	trans	-78.8	-42.2	-175.6	-66.9	177.3	0	0	0	111.7	A16 M20 F635	A16-L639 HydrophobicContact CB-CB 4.24Å; A16-L639 WeakPolarHBondContact CB-O 3.43Å; M20-L639 HydrophobicContact CB-CD1 4.47Å; M20-L639 HydrophobicContact SD-CD1 4Å; F635-L639 WeakPolarHBondContact O-CB 3.45Å; F635-L639 VanDerWaalsContact O-CG 3.3Å; F635-L639 WeakPolarHBondContact O-CG 3.35Å; F635-L639 PolarHBondContact O-N 3.4Å
640	C	76.5	Confident	86.8	Confident	33 Å²	33	43.8 Å²	43.8	22%	0.223	20%	0.204	C	C	.	.	H	α-helix	trans	-95.1	-24.9	-171.4	-59.4	0	0	0	0	114.2	M20 M585 C636	M20-C640 VanDerWaalsContact CE-SG 3.51Å; M585-C640 HydrophobicContact CB-CB 3.61Å; M585-C640 HydrophobicContact CG-CB 3.29Å; M585-C640 HydrophobicContact SD-CB 3.68Å; C636-C640 WeakPolarHBondContact O-CB 3.37Å; C636-C640 PolarHBondContact O-N 2.93Å; C636-C640 PolarHBondContact O-SG 3.3Å
641	N	78.8	Confident	86.6	Confident	42 Å²	42	45.6 Å²	45.6	23%	0.225	21%	0.214	C	C	.	.			trans	-109.2	110	-178.2	-166.9	-28.2	0	0	0	112.4	M585 Y637 A643 F644 R645	M585-N641 HydrophobicContact SD-CB 4.21Å; Y637-N641 WeakPolarHBondContact O-CA 3.33Å; Y637-N641 VanDerWaalsContact O-CB 3.29Å; Y637-N641 WeakPolarHBondContact O-CB 3.48Å; Y637-N641 PolarHBondContact O-N 3.5Å; N641-A643 PolarHBondContact O-N 3.45Å; N641-A643 WeakPolarHBondContact OD1-CB 3.45Å; N641-A643 PolarHBondContact OD1-N 3.17Å; N641-F644 HydrophobicContact CB-CB 4.26Å; N641-F644 HydrophobicContact CB-CD2 4.05Å; N641-F644 WeakPolarHBondContact ND2-CD2 3.29Å; N641-F644 PolarHBondContact O-N 3.05Å; N641-R645 WeakPolarHBondContact O-CB 3.49Å; N641-R645 PolarHBondContact O-N 3.23Å
642	R	82.5	Confident	86.3	Confident	159 Å²	159	51.5 Å²	51.5	60%	0.6	24%	0.244	S	C	*	.	H	α-helix	trans	-61	-28.4	-179.7	-67	-178.4	-179	-174	-3.4	113.7	R646	R642-R646 VanDerWaalsContact O-CG 3.27Å; R642-R646 WeakPolarHBondContact O-CG 3.38Å; R642-R646 PolarHBondContact O-N 3.05Å
643	A	83.1	Confident	86.2	Confident	42 Å²	42	54.1 Å²	54.1	35%	0.347	26%	0.261	S	S	.	.	H	α-helix	trans	-70.7	-56.5	178.6	0	0	0	0	0	109.8	L122 N641 R645 R646 T647	L122-A643 HydrophobicContact CD2-CB 3.78Å; N641-A643 PolarHBondContact O-N 3.45Å; N641-A643 WeakPolarHBondContact OD1-CB 3.45Å; N641-A643 PolarHBondContact OD1-N 3.17Å; A643-R645 VanDerWaalsContact C-N 3.3Å; A643-R645 PolarHBondContact O-N 2.91Å; A643-R646 WeakPolarHBondContact O-CB 3.26Å; A643-R646 PolarHBondContact O-N 3.27Å; A643-T647 PolarHBondContact O-N 3.1Å; A643-T647 VanDerWaalsContact O-N 3.1Å; A643-T647 PolarHBondContact O-OG1 3.47Å
644	F	85.3	Confident	85.9	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.009	29%	0.29	C	S	.	.	H	α-helix	trans	-53.6	-46.4	174.8	-84.5	-84	0	0	0	112.2	V112 L122 L130 N641 R646 T647 Y648	V112-F644 HydrophobicContact CG1-CE1 4.28Å; L122-F644 HydrophobicContact CD1-CD1 4.02Å; L122-F644 HydrophobicContact CD1-CE1 4.04Å; L122-F644 HydrophobicContact CD1-CG 4.4Å; L122-F644 HydrophobicContact CD1-CZ 4.44Å; L122-F644 HydrophobicContact CD2-CD2 4.07Å; L122-F644 HydrophobicContact CD2-CE2 4.07Å; L122-F644 HydrophobicContact CD2-CG 4.41Å; L122-F644 HydrophobicContact CD2-CZ 4.39Å; L130-F644 HydrophobicContact CD1-CE2 3.81Å; L130-F644 HydrophobicContact CD1-CZ 3.97Å; N641-F644 HydrophobicContact CB-CB 4.26Å; N641-F644 HydrophobicContact CB-CD2 4.05Å; N641-F644 WeakPolarHBondContact ND2-CD2 3.29Å; N641-F644 PolarHBondContact O-N 3.05Å; F644-R646 VanDerWaalsContact C-N 3.27Å; F644-R646 PolarHBondContact O-N 2.75Å; F644-T647 PolarHBondContact O-N 3.33Å; F644-T647 VanDerWaalsContact O-N 3.08Å; F644-Y648 HydrophobicContact CB-CE1 4.4Å; F644-Y648 AromaticContact CD1-CE1 3.81Å; F644-Y648 HydrophobicContact CD1-CE1 3.81Å; F644-Y648 WeakPolarHBondContact O-CB 3.49Å; F644-Y648 VanDerWaalsContact O-CD1 3.25Å; F644-Y648 WeakPolarHBondContact O-CD1 3.42Å; F644-Y648 PolarHBondContact O-N 2.87Å
645	R	88.4	Confident	85.4	Confident	125 Å²	125	62.2 Å²	62.2	47%	0.472	31%	0.312	S	S	.	.	H	α-helix	trans	-55.7	-40.9	177.5	-165.5	173.9	64.7	-173.7	4.8	113.4	A638 N641 A643 V649	A638-R645 VanDerWaalsContact O-CB 3.3Å; A638-R645 WeakPolarHBondContact O-CB 3.34Å; A638-R645 WeakPolarHBondContact O-CD 3.39Å; A638-R645 WeakPolarHBondContact O-CG 3.48Å; N641-R645 WeakPolarHBondContact O-CB 3.49Å; N641-R645 PolarHBondContact O-N 3.23Å; A643-R645 VanDerWaalsContact C-N 3.3Å; A643-R645 PolarHBondContact O-N 2.91Å; R645-V649 VanDerWaalsContact O-CG2 3.26Å; R645-V649 WeakPolarHBondContact O-CG2 3.41Å; R645-V649 PolarHBondContact O-N 3.47Å
646	R	88.9	Confident	84.6	Confident	168 Å²	168	62.2 Å²	62.2	63%	0.634	31%	0.31	S	S	*	.	H	α-helix	trans	-67.5	-42.6	178.3	-75.2	170.5	-179.8	180	-0.5	110.8	R642 A643 F644 V649 R650	R642-R646 VanDerWaalsContact O-CG 3.27Å; R642-R646 WeakPolarHBondContact O-CG 3.38Å; R642-R646 PolarHBondContact O-N 3.05Å; A643-R646 WeakPolarHBondContact O-CB 3.26Å; A643-R646 PolarHBondContact O-N 3.27Å; F644-R646 VanDerWaalsContact C-N 3.27Å; F644-R646 PolarHBondContact O-N 2.75Å; R646-V649 PolarHBondContact O-N 3.48Å; R646-R650 WeakPolarHBondContact O-CG 3.47Å; R646-R650 PolarHBondContact O-N 2.89Å
647	T	88.6	Confident	83.6	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.006	35%	0.348	C	S	.	.	H	α-helix	trans	-63.7	-45.5	177.9	-49	0	0	0	0	110.6	D119 L122 A643 F644 V649 R650 I651 W656	D119-T647 HydrophobicContact CB-CG2 3.84Å; D119-T647 PolarHBondContact OD2-OG1 3.34Å; L122-T647 HydrophobicContact CD1-CG2 3.9Å; L122-T647 WeakPolarHBondContact CD1-OG1 3.47Å; A643-T647 PolarHBondContact O-N 3.1Å; A643-T647 VanDerWaalsContact O-N 3.1Å; A643-T647 PolarHBondContact O-OG1 3.47Å; F644-T647 PolarHBondContact O-N 3.33Å; F644-T647 VanDerWaalsContact O-N 3.08Å; T647-V649 PolarHBondContact O-N 3.27Å; T647-R650 PolarHBondContact O-N 2.74Å; T647-R650 VanDerWaalsContact O-N 3.13Å; T647-I651 HydrophobicContact CG2-CD1 3.9Å; T647-I651 WeakPolarHBondContact O-CG1 3.47Å; T647-I651 PolarHBondContact O-N 3.3Å; T647-W656 HydrophobicContact CG2-CZ3 4.25Å
648	Y	90.2	Very high	82.4	Confident	13 Å²	13	78.4 Å²	78.4	5%	0.051	38%	0.383	C	S	.	.	H	α-helix	trans	-57.5	-50.7	176.1	-74.9	15.6	0	0	0	111.4	L111 V112 S115 A638 F644 R650 I651 L652	L111-Y648 HydrophobicContact CD1-CD1 4.32Å; L111-Y648 HydrophobicContact CD2-CD1 4.03Å; L111-Y648 HydrophobicContact CD2-CD2 3.65Å; L111-Y648 HydrophobicContact CD2-CE1 4.22Å; L111-Y648 HydrophobicContact CD2-CE2 3.84Å; L111-Y648 HydrophobicContact CD2-CG 3.76Å; L111-Y648 HydrophobicContact CG-CD1 3.88Å; L111-Y648 HydrophobicContact CG-CD2 4.34Å; L111-Y648 HydrophobicContact CG-CE1 3.85Å; L111-Y648 HydrophobicContact CG-CE2 4.3Å; L111-Y648 HydrophobicContact CG-CG 4.14Å; V112-Y648 WeakPolarHBondContact CG2-OH 3.44Å; S115-Y648 WeakPolarHBondContact OG-CD1 3.35Å; S115-Y648 WeakPolarHBondContact OG-CE1 3.24Å; A638-Y648 HydrophobicContact CB-CD2 3.74Å; A638-Y648 HydrophobicContact CB-CE2 3.73Å; F644-Y648 HydrophobicContact CB-CE1 4.4Å; F644-Y648 AromaticContact CD1-CE1 3.81Å; F644-Y648 HydrophobicContact CD1-CE1 3.81Å; F644-Y648 WeakPolarHBondContact O-CB 3.49Å; F644-Y648 VanDerWaalsContact O-CD1 3.25Å; F644-Y648 WeakPolarHBondContact O-CD1 3.42Å; F644-Y648 PolarHBondContact O-N 2.87Å; Y648-R650 VanDerWaalsContact C-N 3.27Å; Y648-R650 PolarHBondContact O-N 3.25Å; Y648-I651 PolarHBondContact O-N 2.84Å; Y648-L652 WeakPolarHBondContact O-CB 3.33Å; Y648-L652 WeakPolarHBondContact O-CG 3.33Å; Y648-L652 PolarHBondContact O-N 2.59Å
649	V	89.6	Confident	80.7	Confident	81 Å²	81	80.8 Å²	80.8	49%	0.491	41%	0.41	S	S	.	.	H	α-helix	trans	-59.9	-39	178.2	170.7	0	0	0	0	111.3	R645 R646 T647 T653	R645-V649 VanDerWaalsContact O-CG2 3.26Å; R645-V649 WeakPolarHBondContact O-CG2 3.41Å; R645-V649 PolarHBondContact O-N 3.47Å; R646-V649 PolarHBondContact O-N 3.48Å; T647-V649 PolarHBondContact O-N 3.27Å; V649-T653 HydrophobicContact CG1-CG2 4.24Å; V649-T653 VanDerWaalsContact O-CB 3.28Å; V649-T653 WeakPolarHBondContact O-CB 3.16Å; V649-T653 VanDerWaalsContact O-CG2 3.24Å; V649-T653 WeakPolarHBondContact O-CG2 3.45Å; V649-T653 PolarHBondContact O-N 3.23Å; V649-T653 PolarHBondContact O-OG1 3.27Å
650	R	89.1	Confident	79.3	Confident	62 Å²	62	82.3 Å²	82.3	23%	0.234	41%	0.414	C	S	.	.	H	α-helix	trans	-66.4	-41.4	177.8	-74.8	175.6	-176.5	-179.4	-0.3	112.7	R646 T647 Y648 G654 K655 W656 F660	R646-R650 WeakPolarHBondContact O-CG 3.47Å; R646-R650 PolarHBondContact O-N 2.89Å; T647-R650 PolarHBondContact O-N 2.74Å; T647-R650 VanDerWaalsContact O-N 3.13Å; Y648-R650 VanDerWaalsContact C-N 3.27Å; Y648-R650 PolarHBondContact O-N 3.25Å; R650-G654 PolarHBondContact O-N 3.49Å; R650-K655 PolarHBondContact O-N 2.91Å; R650-W656 HydrophobicContact CB-CE3 4.29Å; R650-F660 VanDerWaalsContact NH1-CD1 3.27Å; R650-F660 VanDerWaalsContact NH2-CE1 3.32Å; R650-F660 VanDerWaalsContact NH2-CZ 3.27Å
651	I	88.9	Confident	78	Confident	40 Å²	40	84.7 Å²	84.7	21%	0.205	42%	0.424	C	S	.	.	H	α-helix	trans	-66.2	-54.9	177.9	-67.1	166.8	0	0	0	109.7	L111 I114 S115 M118 T647 Y648 T653 G654	L111-I651 HydrophobicContact CD1-CB 4.28Å; L111-I651 HydrophobicContact CD1-CD1 4.1Å; L111-I651 HydrophobicContact CD1-CG2 3.89Å; I114-I651 HydrophobicContact CG2-CD1 4.19Å; S115-I651 WeakPolarHBondContact OG-CD1 3.49Å; M118-I651 HydrophobicContact CE-CG1 4.4Å; M118-I651 HydrophobicContact SD-CD1 3.97Å; M118-I651 HydrophobicContact SD-CG1 3.96Å; T647-I651 HydrophobicContact CG2-CD1 3.9Å; T647-I651 WeakPolarHBondContact O-CG1 3.47Å; T647-I651 PolarHBondContact O-N 3.3Å; Y648-I651 PolarHBondContact O-N 2.84Å; I651-T653 PolarHBondContact O-N 3.23Å; I651-G654 PolarHBondContact O-N 2.87Å
652	L	88.7	Confident	76.8	Confident	129 Å²	129	85.3 Å²	85.3	68%	0.675	43%	0.43	S	S	*	.	H	α-helix	trans	-65.7	-24.4	-176.7	-64.9	174.4	0	0	0	113.6	L111 Y648	L111-L652 HydrophobicContact CD2-CD1 4.36Å; Y648-L652 WeakPolarHBondContact O-CB 3.33Å; Y648-L652 WeakPolarHBondContact O-CG 3.33Å; Y648-L652 PolarHBondContact O-N 2.59Å
653	T	90.3	Very high	75.3	Confident	60 Å²	60	81.8 Å²	81.8	37%	0.368	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	3.2	175.1	62.3	0	0	0	0	113.9	V649 I651 K655	V649-T653 HydrophobicContact CG1-CG2 4.24Å; V649-T653 VanDerWaalsContact O-CB 3.28Å; V649-T653 WeakPolarHBondContact O-CB 3.16Å; V649-T653 VanDerWaalsContact O-CG2 3.24Å; V649-T653 WeakPolarHBondContact O-CG2 3.45Å; V649-T653 PolarHBondContact O-N 3.23Å; V649-T653 PolarHBondContact O-OG1 3.27Å; I651-T653 PolarHBondContact O-N 3.23Å; T653-K655 PolarHBondContact O-N 3.31Å; T653-K655 VanDerWaalsContact O-N 3.1Å; T653-K655 WeakPolarHBondContact OG1-CG 3.44Å
654	G	84	Confident	73.8	Confident	60 Å²	60	84.4 Å²	84.4	62%	0.619	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	12	-177.6	0	0	0	0	0	114.6	R650 I651 W656	R650-G654 PolarHBondContact O-N 3.49Å; I651-G654 PolarHBondContact O-N 2.87Å; G654-W656 PolarHBondContact O-N 3.23Å
655	K	80.9	Confident	72.2	Confident	117 Å²	117	89.1 Å²	89.1	51%	0.509	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	16.3	-175	-68	-176.4	-177	-178.6	0	113.6	R650 T653 K658	R650-K655 PolarHBondContact O-N 2.91Å; T653-K655 PolarHBondContact O-N 3.31Å; T653-K655 VanDerWaalsContact O-N 3.1Å; T653-K655 WeakPolarHBondContact OG1-CG 3.44Å; K655-K658 PolarHBondContact O-N 3.09Å
656	W	70.6	Confident	70.8	Confident	83 Å²	83	89.7 Å²	89.7	31%	0.314	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-42.7	-179.6	-168.4	-100	0	0	0	112.3	M118 D119 T647 R650 G654	M118-W656 VanDerWaalsContact C-CH2 3.48Å; M118-W656 HydrophobicContact CB-CH2 3.7Å; M118-W656 HydrophobicContact CB-CZ2 3.73Å; M118-W656 HydrophobicContact CB-CZ3 4.17Å; M118-W656 HydrophobicContact CE-CB 4.2Å; M118-W656 HydrophobicContact CE-CD2 3.43Å; M118-W656 VanDerWaalsContact CE-CD2 3.43Å; M118-W656 HydrophobicContact CE-CE3 3.9Å; M118-W656 HydrophobicContact CE-CG 3.51Å; M118-W656 HydrophobicContact CE-CZ2 4.36Å; M118-W656 WeakPolarHBondContact O-CH2 3.47Å; M118-W656 WeakPolarHBondContact O-CZ2 3.29Å; D119-W656 HydrophobicContact CB-CH2 3.95Å; T647-W656 HydrophobicContact CG2-CZ3 4.25Å; R650-W656 HydrophobicContact CB-CE3 4.29Å; G654-W656 PolarHBondContact O-N 3.23Å
657	H	64.3	Low	69.3	Low	174 Å²	174	86.2 Å²	86.2	81%	0.806	45%	0.453	S	S	*	.	S	Bend	trans	-80.4	-12.6	-178.9	-71.8	-68.9	0	0	0	114.8	G659	H657-G659 PolarHBondContact O-N 3.04Å
658	K	56.9	Low	68.1	Low	167 Å²	167	91.2 Å²	91.2	73%	0.726	48%	0.477	S	S	*	.	S	Bend	trans	-75.2	84.6	172.8	-66.9	-166	-179.7	-169.3	0	107.6	K655 F660	K655-K658 PolarHBondContact O-N 3.09Å; K658-F660 PolarHBondContact O-N 2.96Å
659	G	48.4	Very low	67	Low	71 Å²	71	97.8 Å²	97.8	73%	0.732	51%	0.505	S	S	*	.			trans	-27	91.2	-170.9	0	0	0	0	0	114.2	H657 N661	H657-G659 PolarHBondContact O-N 3.04Å; G659-N661 PolarHBondContact O-N 3.44Å
660	F	50.8	Low	66.3	Low	100 Å²	100	98.6 Å²	98.6	44%	0.439	51%	0.506	S	S	.	.			trans	-76.5	88.2	163.2	-177.7	-103	0	0	0	106.6	R650 K658 P662	R650-F660 VanDerWaalsContact NH1-CD1 3.27Å; R650-F660 VanDerWaalsContact NH2-CE1 3.32Å; R650-F660 VanDerWaalsContact NH2-CZ 3.27Å; K658-F660 PolarHBondContact O-N 2.96Å; F660-P662 HydrophobicContact CD1-CB 4.39Å; F660-P662 HydrophobicContact CD1-CG 4.46Å; F660-P662 HydrophobicContact CE1-CB 3.71Å; F660-P662 HydrophobicContact CE1-CG 4.17Å; F660-P662 HydrophobicContact CZ-CB 4.12Å; F660-P662 WeakPolarHBondContact O-CD 3.41Å
661	N	50	Low	65.2	Low	83 Å²	83	103.2 Å²	103.2	44%	0.444	53%	0.528	S	S	.	.			trans	-87.4	98.1	166.1	-164	-11.9	0	0	0	106.4	G659 T663 L664 Q665	G659-N661 PolarHBondContact O-N 3.44Å; N661-T663 PolarHBondContact O-N 2.94Å; N661-T663 VanDerWaalsContact O-N 3.15Å; N661-T663 WeakPolarHBondContact OD1-CB 3.1Å; N661-T663 PolarHBondContact OD1-OG1 3.03Å; N661-L664 HydrophobicContact CB-CB 3.88Å; N661-L664 WeakPolarHBondContact O-CB 3.29Å; N661-L664 PolarHBondContact O-N 3.17Å; N661-Q665 PolarHBondContact O-N 2.77Å
662	P	53.3	Low	64.2	Low	55 Å²	55	106 Å²	106	36%	0.357	55%	0.552	S	S	.	*	H	α-helix	trans	-56.6	-30.6	-179.1	20.1	-30.3	0	0	0	111.8	F660 L664 Q665 F666	F660-P662 HydrophobicContact CD1-CB 4.39Å; F660-P662 HydrophobicContact CD1-CG 4.46Å; F660-P662 HydrophobicContact CE1-CB 3.71Å; F660-P662 HydrophobicContact CE1-CG 4.17Å; F660-P662 HydrophobicContact CZ-CB 4.12Å; F660-P662 WeakPolarHBondContact O-CD 3.41Å; P662-L664 VanDerWaalsContact C-N 3.32Å; P662-L664 PolarHBondContact O-N 3.12Å; P662-Q665 PolarHBondContact O-N 2.84Å; P662-F666 WeakPolarHBondContact O-CB 3.31Å; P662-F666 PolarHBondContact O-N 3.44Å
663	T	50.8	Low	62.8	Low	84 Å²	84	105.5 Å²	105.5	52%	0.515	58%	0.578	S	S	.	*	H	α-helix	trans	-57.1	-44.4	171.9	-22	0	0	0	0	111.1	N661 Q665 F666 Q667	N661-T663 PolarHBondContact O-N 2.94Å; N661-T663 VanDerWaalsContact O-N 3.15Å; N661-T663 WeakPolarHBondContact OD1-CB 3.1Å; N661-T663 PolarHBondContact OD1-OG1 3.03Å; T663-Q665 PolarHBondContact O-N 3.44Å; T663-F666 PolarHBondContact O-N 3.13Å; T663-Q667 WeakPolarHBondContact O-CB 3.18Å; T663-Q667 WeakPolarHBondContact O-CG 3.23Å; T663-Q667 PolarHBondContact O-N 2.76Å
664	L	52.5	Low	61.5	Low	98 Å²	98	107.8 Å²	107.8	51%	0.513	59%	0.588	S	S	.	*	H	α-helix	trans	-71.2	-32	-176.7	-147	122.2	0	0	0	112.5	N661 P662 Q668	N661-L664 HydrophobicContact CB-CB 3.88Å; N661-L664 WeakPolarHBondContact O-CB 3.29Å; N661-L664 PolarHBondContact O-N 3.17Å; P662-L664 VanDerWaalsContact C-N 3.32Å; P662-L664 PolarHBondContact O-N 3.12Å; L664-Q668 WeakPolarHBondContact O-CB 3.35Å; L664-Q668 WeakPolarHBondContact O-CG 3.45Å; L664-Q668 PolarHBondContact O-N 2.71Å
665	Q	50.9	Low	60.3	Low	100 Å²	100	110.3 Å²	110.3	47%	0.467	59%	0.587	S	S	.	*	H	α-helix	trans	-77	-35.1	172.3	-84.8	-112.6	-37.1	0	0	113.2	N661 P662 T663 K669	N661-Q665 PolarHBondContact O-N 2.77Å; P662-Q665 PolarHBondContact O-N 2.84Å; T663-Q665 PolarHBondContact O-N 3.44Å; Q665-K669 WeakPolarHBondContact O-CB 3.41Å; Q665-K669 WeakPolarHBondContact O-CG 3.23Å; Q665-K669 PolarHBondContact O-N 3.37Å
666	F	59.5	Low	59.1	Low	138 Å²	138	109.9 Å²	109.9	61%	0.605	59%	0.591	S	S	*	*	H	α-helix	trans	-66.7	-45.1	172.6	-178	-110.1	0	0	0	110.3	P662 T663 K669 L670	P662-F666 WeakPolarHBondContact O-CB 3.31Å; P662-F666 PolarHBondContact O-N 3.44Å; T663-F666 PolarHBondContact O-N 3.13Å; F666-K669 PolarHBondContact O-N 2.86Å; F666-L670 HydrophobicContact CD1-CD1 3.62Å; F666-L670 HydrophobicContact CD2-CD1 4.37Å; F666-L670 HydrophobicContact CE1-CD1 3.15Å; F666-L670 HydrophobicContact CE2-CD1 3.96Å; F666-L670 HydrophobicContact CG-CD1 4.22Å; F666-L670 HydrophobicContact CZ-CD1 3.34Å; F666-L670 HydrophobicContact CZ-CG 4.49Å; F666-L670 WeakPolarHBondContact O-CB 3.11Å; F666-L670 PolarHBondContact O-N 3.37Å
667	Q	58.2	Low	58.4	Low	94 Å²	94	111.5 Å²	111.5	44%	0.439	61%	0.607	S	S	.	*	H	α-helix	trans	-59.1	-51.4	171.9	-66.9	-100.6	-54.9	0	0	110.4	T663 K669 L670 F671	T663-Q667 WeakPolarHBondContact O-CB 3.18Å; T663-Q667 WeakPolarHBondContact O-CG 3.23Å; T663-Q667 PolarHBondContact O-N 2.76Å; Q667-K669 VanDerWaalsContact C-N 3.29Å; Q667-K669 PolarHBondContact O-N 3.1Å; Q667-L670 CarbonylContact O-C 3.57Å; Q667-L670 WeakPolarHBondContact O-CB 3.44Å; Q667-L670 PolarHBondContact O-N 3.21Å; Q667-F671 HydrophobicContact CB-CD2 4.16Å; Q667-F671 HydrophobicContact CB-CE2 4.04Å; Q667-F671 WeakPolarHBondContact O-CD2 3.33Å; Q667-F671 PolarHBondContact O-N 3.14Å
668	Q	62.6	Low	58.1	Low	107 Å²	107	107.6 Å²	107.6	50%	0.5	60%	0.595	S	S	.	*	H	α-helix	trans	-56.6	-40.4	176.3	-84.8	176.2	-23.8	0	0	112.8	L664 F671 S672	L664-Q668 WeakPolarHBondContact O-CB 3.35Å; L664-Q668 WeakPolarHBondContact O-CG 3.45Å; L664-Q668 PolarHBondContact O-N 2.71Å; Q668-F671 PolarHBondContact O-N 3.13Å; Q668-S672 WeakPolarHBondContact O-CB 3.41Å; Q668-S672 PolarHBondContact O-N 3.24Å; Q668-S672 PolarHBondContact O-OG 3.36Å
669	K	67.6	Low	58.2	Low	150 Å²	150	103.7 Å²	103.7	65%	0.652	59%	0.586	S	S	*	*	H	α-helix	trans	-71.4	-30.9	176.2	-82.6	-176.8	175.8	-179.1	0	114	Q665 F666 Q667 S672	Q665-K669 WeakPolarHBondContact O-CB 3.41Å; Q665-K669 WeakPolarHBondContact O-CG 3.23Å; Q665-K669 PolarHBondContact O-N 3.37Å; F666-K669 PolarHBondContact O-N 2.86Å; Q667-K669 VanDerWaalsContact C-N 3.29Å; Q667-K669 PolarHBondContact O-N 3.1Å; K669-S672 WeakPolarHBondContact CA-OG 3.38Å; K669-S672 PolarHBondContact O-OG 3.35Å
670	L	73.7	Confident	58.9	Low	98 Å²	98	106 Å²	106	51%	0.513	58%	0.576	S	S	.	*	H	α-helix	trans	-73.2	-33	174	-105.2	149.7	0	0	0	112	F666 Q667	F666-L670 HydrophobicContact CD1-CD1 3.62Å; F666-L670 HydrophobicContact CD2-CD1 4.37Å; F666-L670 HydrophobicContact CE1-CD1 3.15Å; F666-L670 HydrophobicContact CE2-CD1 3.96Å; F666-L670 HydrophobicContact CG-CD1 4.22Å; F666-L670 HydrophobicContact CZ-CD1 3.34Å; F666-L670 HydrophobicContact CZ-CG 4.49Å; F666-L670 WeakPolarHBondContact O-CB 3.11Å; F666-L670 PolarHBondContact O-N 3.37Å; Q667-L670 CarbonylContact O-C 3.57Å; Q667-L670 WeakPolarHBondContact O-CB 3.44Å; Q667-L670 PolarHBondContact O-N 3.21Å
671	F	67.4	Low	59.5	Low	159 Å²	159	106.5 Å²	106.5	70%	0.697	59%	0.586	S	S	*	*	H	α-helix	trans	-88.1	-17.8	178.3	-69.5	-63.5	0	0	0	113.5	Q667 Q668	Q667-F671 HydrophobicContact CB-CD2 4.16Å; Q667-F671 HydrophobicContact CB-CE2 4.04Å; Q667-F671 WeakPolarHBondContact O-CD2 3.33Å; Q667-F671 PolarHBondContact O-N 3.14Å; Q668-F671 PolarHBondContact O-N 3.13Å
672	S	67.1	Low	60.3	Low	99 Å²	99	108.4 Å²	108.4	69%	0.692	60%	0.598	S	S	*	*			trans	-92.3	-3.6	179.7	70	0	0	0	0	114.9	Q668 K669	Q668-S672 WeakPolarHBondContact O-CB 3.41Å; Q668-S672 PolarHBondContact O-N 3.24Å; Q668-S672 PolarHBondContact O-OG 3.36Å; K669-S672 WeakPolarHBondContact CA-OG 3.38Å; K669-S672 PolarHBondContact O-OG 3.35Å
673	G	59.8	Low	60.9	Low	119 Å²	119	113.3 Å²	113.3	100%	1.227	62%	0.62	S	S	*	*			trans	-124.2	0	176.9	0	0	0	0	0	109.4

Retrieved 673 of 673 residues in 166.4 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).