A0A077ZJ20_TRITR Loading...

DUF4206 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ20, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 484 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	32.7	Very low	26.9	Very low	242 Å²	242	181.9 Å²	181.9	100%	1.192	86%	0.86	S	S	*	*				0	87.3	0	-70.6	-77.7	177.9	0	0	108.4
2	P	29.9	Very low	27	Very low	125 Å²	125	182.2 Å²	182.2	81%	0.812	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-99.1	134.4	177.7	30	-16.9	0	0	0	111.6	Q4	P2-Q4 PolarHBondContact O-N 3.23Å
3	Y	27.1	Very low	26.8	Very low	238 Å²	238	184.4 Å²	184.4	93%	0.933	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-68.8	118.4	-179.1	-135.4	-98.3	0	0	0	110.5
4	Q	25.6	Very low	26.7	Very low	180 Å²	180	182.9 Å²	182.9	84%	0.841	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-73.6	123.1	171.7	-72.3	174	-58.3	0	0	109.9	P2	P2-Q4 PolarHBondContact O-N 3.23Å
5	R	27.1	Very low	26.7	Very low	237 Å²	237	178.1 Å²	178.1	89%	0.894	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-78.7	121.8	165	-101.9	-177.9	-169.8	169.2	3.6	108.7
6	M	25.2	Very low	26.6	Very low	177 Å²	177	180.6 Å²	180.6	87%	0.872	84%	0.839	S	S	*	*			trans	-82.7	113.7	164.9	-78	-179.3	-90.5	0	0	108.7	E8	M6-E8 PolarHBondContact O-N 3.06Å
7	D	25.6	Very low	26.8	Very low	152 Å²	152	180.1 Å²	180.1	81%	0.813	83%	0.83	S	S	*	*			trans	-78	102.4	165.8	-75.9	-39	0	0	0	109.1	Q9	D7-Q9 PolarHBondContact O-N 2.74Å
8	E	26.6	Very low	26.7	Very low	179 Å²	179	176.2 Å²	176.2	84%	0.836	82%	0.821	S	S	*	*			trans	-83.6	100	165.3	-80.5	-172.7	156.3	0	0	109.6	M6 I10	M6-E8 PolarHBondContact O-N 3.06Å; E8-I10 PolarHBondContact O-N 3.07Å
9	Q	24.9	Very low	26.9	Very low	182 Å²	182	175.5 Å²	175.5	85%	0.85	82%	0.824	S	S	*	*			trans	-61.4	104.3	163.5	-77.7	-178.4	-16.7	0	0	109.6	D7 Q11	D7-Q9 PolarHBondContact O-N 2.74Å; Q9-Q11 PolarHBondContact O-N 3.18Å
10	I	27.1	Very low	27.7	Very low	132 Å²	132	172.1 Å²	172.1	68%	0.677	82%	0.819	S	S	*	*			trans	-70.1	96.2	168.8	-61.6	176	0	0	0	108.1	E8 F12	E8-I10 PolarHBondContact O-N 3.07Å; I10-F12 HydrophobicContact CG2-CD2 4.19Å; I10-F12 HydrophobicContact CG2-CE2 4Å; I10-F12 HydrophobicContact CG2-CZ 4.35Å; I10-F12 PolarHBondContact O-N 3.44Å; I10-F12 VanDerWaalsContact O-N 3.08Å
11	Q	23.8	Very low	28.9	Very low	157 Å²	157	168.4 Å²	168.4	73%	0.734	81%	0.812	S	S	*	*			trans	-60.9	104.6	164	-83.3	-177.2	-15.6	0	0	109.3	Q9 R13	Q9-Q11 PolarHBondContact O-N 3.18Å; Q11-R13 PolarHBondContact O-N 3.25Å
12	F	27.9	Very low	30.4	Very low	185 Å²	185	159.7 Å²	159.7	81%	0.811	77%	0.77	S	S	*	*			trans	-71.3	82	166	-80.7	-85	0	0	0	109.7	I10 N14	I10-F12 HydrophobicContact CG2-CD2 4.19Å; I10-F12 HydrophobicContact CG2-CE2 4Å; I10-F12 HydrophobicContact CG2-CZ 4.35Å; I10-F12 PolarHBondContact O-N 3.44Å; I10-F12 VanDerWaalsContact O-N 3.08Å; F12-N14 PolarHBondContact O-N 3.35Å
13	R	25.6	Very low	32.6	Very low	211 Å²	211	156 Å²	156	80%	0.796	74%	0.741	S	S	*	*			trans	-61.7	123	163.4	-88.5	-179.4	169.8	175.1	-2.7	108.9	Q11 V15	Q11-R13 PolarHBondContact O-N 3.25Å; R13-V15 WeakPolarHBondContact O-CG2 3.48Å; R13-V15 PolarHBondContact O-N 2.88Å
14	N	24.9	Very low	35.1	Very low	164 Å²	164	145.5 Å²	145.5	88%	0.877	70%	0.7	S	S	*	*			trans	-18.5	84.8	167.4	-76.7	-37.7	0	0	0	115.2	F12 R16	F12-N14 PolarHBondContact O-N 3.35Å; N14-R16 PolarHBondContact O-N 2.88Å
15	V	26.8	Very low	37.7	Very low	111 Å²	111	139.1 Å²	139.1	67%	0.673	67%	0.674	S	S	*	*			trans	-79.3	103.8	168.4	-178.9	0	0	0	0	106.9	R13 Y17	R13-V15 WeakPolarHBondContact O-CG2 3.48Å; R13-V15 PolarHBondContact O-N 2.88Å; V15-Y17 WeakPolarHBondContact O-CD2 3.42Å; V15-Y17 PolarHBondContact O-N 2.91Å
16	R	24.8	Very low	39.9	Very low	217 Å²	217	128 Å²	128	82%	0.819	63%	0.632	S	S	*	*			trans	-55.2	108.7	167	-70.3	179.8	176.6	-179.2	-0.9	107.8	N14 T18	N14-R16 PolarHBondContact O-N 2.88Å; R16-T18 HydrophobicContact CB-CG2 4.44Å; R16-T18 PolarHBondContact O-N 2.94Å; R16-T18 PolarHBondContact O-OG1 3.15Å
17	Y	29.5	Very low	42.2	Very low	172 Å²	172	119.6 Å²	119.6	68%	0.675	59%	0.591	S	S	*	*			trans	-67.9	72.1	173.3	-81.5	-91	0	0	0	110	V15 L132	V15-Y17 WeakPolarHBondContact O-CD2 3.42Å; V15-Y17 PolarHBondContact O-N 2.91Å; Y17-L132 HydrophobicContact CE2-CD2 4.45Å
18	T	25.4	Very low	44.7	Very low	110 Å²	110	113.8 Å²	113.8	68%	0.675	56%	0.562	S	S	*	*			trans	-129.2	68.7	-179.6	54.8	0	0	0	0	110.2	R16	R16-T18 HydrophobicContact CB-CG2 4.44Å; R16-T18 PolarHBondContact O-N 2.94Å; R16-T18 PolarHBondContact O-OG1 3.15Å
19	N	31.6	Very low	47.1	Very low	163 Å²	163	112.1 Å²	112.1	87%	0.872	55%	0.552	S	S	*	*	S	Bend	trans	174.6	111.3	143.8	-102.1	-23.3	0	0	0	108.1	S21	N19-S21 PolarHBondContact O-N 3.47Å
20	C	41.7	Very low	49.2	Very low	107 Å²	107	106.1 Å²	106.1	72%	0.723	52%	0.524	S	S	*	.			trans	-45.5	119.7	-168.8	-71.6	0	0	0	0	113.9	N22	C20-N22 PolarHBondContact O-N 2.95Å
21	S	52.9	Low	51.3	Low	96 Å²	96	100.7 Å²	100.7	67%	0.671	50%	0.496	S	S	*	.			trans	-58.9	84.7	162.8	-43.4	0	0	0	0	109.2	N19 F23	N19-S21 PolarHBondContact O-N 3.47Å; S21-F23 PolarHBondContact O-N 3.43Å
22	N	65.6	Low	53.8	Low	59 Å²	59	98 Å²	98	32%	0.316	48%	0.484	S	S	.	.			trans	-88.8	97.9	-172.7	-173	2.4	0	0	0	110.1	C20 W24 P25 D48	C20-N22 PolarHBondContact O-N 2.95Å; N22-W24 VanDerWaalsContact C-N 3.3Å; N22-W24 WeakPolarHBondContact OD1-CB 3.42Å; N22-W24 PolarHBondContact OD1-N 3.08Å; N22-W24 VanDerWaalsContact OD1-N 3.07Å; N22-P25 WeakPolarHBondContact ND2-CD 3.31Å; N22-P25 WeakPolarHBondContact OD1-CD 3.43Å; N22-D48 WeakPolarHBondContact ND2-CB 3.41Å; N22-D48 PolarHBondContact ND2-OD2 3.28Å; N22-D48 VanDerWaalsContact OD1-CB 3.26Å; N22-D48 WeakPolarHBondContact OD1-CB 3.49Å
23	F	74.9	Confident	56.3	Low	47 Å²	47	98.5 Å²	98.5	21%	0.206	48%	0.48	C	S	.	.			trans	-75.4	-17.5	177.6	-172.4	-117.2	0	0	0	113.3	S21 F26 I27 A52 I56 F68 Y82 L88	S21-F23 PolarHBondContact O-N 3.43Å; F23-F26 AromaticContact CD2-CD1 3.97Å; F23-F26 HydrophobicContact CD2-CD1 3.97Å; F23-F26 AromaticContact CE2-CD1 3.48Å; F23-F26 HydrophobicContact CE2-CD1 3.48Å; F23-F26 VanDerWaalsContact CE2-CD1 3.48Å; F23-F26 AromaticContact CE2-CE1 3.85Å; F23-F26 HydrophobicContact CE2-CE1 3.85Å; F23-F26 HydrophobicContact CZ-CD1 4.02Å; F23-F26 HydrophobicContact CZ-CE1 4.22Å; F23-F26 PolarHBondContact O-N 3.43Å; F23-I27 HydrophobicContact CD1-CB 4.07Å; F23-I27 HydrophobicContact CD1-CD1 4.29Å; F23-I27 HydrophobicContact CD1-CG2 4.04Å; F23-I27 HydrophobicContact CE1-CB 3.83Å; F23-I27 HydrophobicContact CE1-CD1 3.58Å; F23-I27 HydrophobicContact CE1-CG1 4.26Å; F23-I27 HydrophobicContact CE1-CG2 4.28Å; F23-I27 HydrophobicContact CZ-CB 4.38Å; F23-I27 HydrophobicContact CZ-CD1 4.4Å; F23-I27 WeakPolarHBondContact O-CG2 3.18Å; F23-I27 PolarHBondContact O-N 3.06Å; F23-A52 HydrophobicContact CB-CB 4.09Å; F23-A52 HydrophobicContact CD1-CB 4.14Å; F23-I56 HydrophobicContact CD1-CD1 4.29Å; F23-I56 HydrophobicContact CE1-CD1 4.14Å; F23-I56 HydrophobicContact CE1-CG1 4.33Å; F23-F68 HydrophobicContact CE1-CZ 4.24Å; F23-F68 HydrophobicContact CE2-CZ 4.38Å; F23-F68 AromaticContact CZ-CE1 3.92Å; F23-F68 HydrophobicContact CZ-CE1 3.92Å; F23-F68 AromaticContact CZ-CZ 3.53Å; F23-F68 HydrophobicContact CZ-CZ 3.53Å; F23-Y82 WeakPolarHBondContact CD2-OH 3.35Å; F23-Y82 WeakPolarHBondContact CE2-OH 3.46Å; F23-L88 HydrophobicContact CE2-CD1 4.5Å
24	W	80.3	Confident	58.9	Low	17 Å²	17	92.8 Å²	92.8	6%	0.064	47%	0.465	C	S	.	.	H	α-helix	trans	-63.2	-46.6	-171.5	176	-114	0	0	0	114.9	N22 F26 I27 S28 L31 I36 V39 D48 R51 A52 S55	N22-W24 VanDerWaalsContact C-N 3.3Å; N22-W24 WeakPolarHBondContact OD1-CB 3.42Å; N22-W24 PolarHBondContact OD1-N 3.08Å; N22-W24 VanDerWaalsContact OD1-N 3.07Å; W24-F26 PolarHBondContact O-N 3.35Å; W24-I27 HydrophobicContact CE3-CG2 3.68Å; W24-I27 HydrophobicContact CZ3-CG2 4.23Å; W24-I27 WeakPolarHBondContact O-CG2 3.41Å; W24-I27 PolarHBondContact O-N 3.27Å; W24-S28 WeakPolarHBondContact O-CB 3.37Å; W24-S28 PolarHBondContact O-N 3Å; W24-S28 PolarHBondContact O-OG 3.03Å; W24-L31 HydrophobicContact CH2-CD1 4.3Å; W24-L31 HydrophobicContact CZ3-CD1 3.79Å; W24-I36 HydrophobicContact CH2-CG2 4.45Å; W24-I36 HydrophobicContact CZ2-CG2 4.39Å; W24-V39 HydrophobicContact CH2-CB 4.24Å; W24-V39 HydrophobicContact CH2-CG1 3.89Å; W24-V39 HydrophobicContact CZ2-CG1 4.46Å; W24-V39 HydrophobicContact CZ3-CG1 4.28Å; W24-D48 HydrophobicContact CB-CB 3.87Å; W24-D48 WeakPolarHBondContact CB-O 3.29Å; W24-D48 VanDerWaalsContact CD1-OD1 3.27Å; W24-D48 HydrophobicContact CG-CB 4.27Å; W24-R51 HydrophobicContact CD2-CB 3.4Å; W24-R51 VanDerWaalsContact CD2-CB 3.4Å; W24-R51 HydrophobicContact CD2-CG 4.39Å; W24-R51 HydrophobicContact CE3-CB 3.57Å; W24-R51 HydrophobicContact CG-CB 3.88Å; W24-R51 HydrophobicContact CH2-CB 4.13Å; W24-R51 HydrophobicContact CZ2-CB 3.99Å; W24-R51 HydrophobicContact CZ2-CG 4.41Å; W24-R51 HydrophobicContact CZ3-CB 3.97Å; W24-A52 HydrophobicContact CB-CB 4.2Å; W24-S55 WeakPolarHBondContact CZ3-OG 3.39Å
25	P	79.7	Confident	61.4	Low	47 Å²	47	85.9 Å²	85.9	31%	0.305	43%	0.429	S	S	.	.	H	α-helix	trans	-55.2	-35.3	175.7	-28.3	35.4	0	0	0	113.3	N22 S28 Y81	N22-P25 WeakPolarHBondContact ND2-CD 3.31Å; N22-P25 WeakPolarHBondContact OD1-CD 3.43Å; P25-S28 PolarHBondContact O-OG 3.01Å; P25-Y81 HydrophobicContact CB-CE1 3.99Å
26	F	74.1	Confident	64.1	Low	3 Å²	3	82.2 Å²	82.2	1%	0.013	41%	0.405	C	S	.	.	H	α-helix	trans	-74.5	-53.6	178.3	171.5	-105.2	0	0	0	112.5	F23 W24 S28 K29 H30 F68 F78 Y81 Y82 L88	F23-F26 AromaticContact CD2-CD1 3.97Å; F23-F26 HydrophobicContact CD2-CD1 3.97Å; F23-F26 AromaticContact CE2-CD1 3.48Å; F23-F26 HydrophobicContact CE2-CD1 3.48Å; F23-F26 VanDerWaalsContact CE2-CD1 3.48Å; F23-F26 AromaticContact CE2-CE1 3.85Å; F23-F26 HydrophobicContact CE2-CE1 3.85Å; F23-F26 HydrophobicContact CZ-CD1 4.02Å; F23-F26 HydrophobicContact CZ-CE1 4.22Å; F23-F26 PolarHBondContact O-N 3.43Å; W24-F26 PolarHBondContact O-N 3.35Å; F26-S28 VanDerWaalsContact C-N 3.33Å; F26-S28 PolarHBondContact O-N 3.45Å; F26-K29 PolarHBondContact O-N 2.93Å; F26-H30 AromaticContact CE2-CE1 3.81Å; F26-H30 PolarHBondContact O-ND1 3.08Å; F26-F68 HydrophobicContact CD1-CZ 4.28Å; F26-F68 HydrophobicContact CE1-CE1 4.18Å; F26-F68 AromaticContact CE1-CZ 3.63Å; F26-F68 HydrophobicContact CE1-CZ 3.63Å; F26-F78 HydrophobicContact CE2-CD1 4.13Å; F26-F78 HydrophobicContact CE2-CE1 4.15Å; F26-F78 HydrophobicContact CZ-CD1 4.15Å; F26-F78 AromaticContact CZ-CE1 3.81Å; F26-F78 HydrophobicContact CZ-CE1 3.81Å; F26-Y81 HydrophobicContact CB-CD1 4.11Å; F26-Y81 HydrophobicContact CB-CE1 4.49Å; F26-Y81 HydrophobicContact CB-CG 4.18Å; F26-Y81 AromaticContact CD2-CD2 3.91Å; F26-Y81 HydrophobicContact CD2-CD2 3.91Å; F26-Y81 HydrophobicContact CD2-CG 4.06Å; F26-Y82 AromaticContact CD1-CE2 3.99Å; F26-Y82 HydrophobicContact CD1-CE2 3.99Å; F26-Y82 WeakPolarHBondContact CD1-OH 3.24Å; F26-Y82 AromaticContact CD2-CE2 3.75Å; F26-Y82 HydrophobicContact CD2-CE2 3.75Å; F26-Y82 HydrophobicContact CE1-CE2 4.03Å; F26-Y82 AromaticContact CE2-CE2 3.83Å; F26-Y82 HydrophobicContact CE2-CE2 3.83Å; F26-Y82 AromaticContact CG-CE2 3.84Å; F26-Y82 HydrophobicContact CG-CE2 3.84Å; F26-Y82 AromaticContact CZ-CE2 3.97Å; F26-Y82 HydrophobicContact CZ-CE2 3.97Å; F26-L88 HydrophobicContact CE1-CD1 4.01Å; F26-L88 HydrophobicContact CZ-CD1 4.29Å
27	I	73	Confident	67.1	Low	1 Å²	1	74.1 Å²	74.1	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-66	-36.5	-177.8	-173.7	157.3	0	0	0	111.7	F23 W24 K29 H30 L31 I56 L59 F68	F23-I27 HydrophobicContact CD1-CB 4.07Å; F23-I27 HydrophobicContact CD1-CD1 4.29Å; F23-I27 HydrophobicContact CD1-CG2 4.04Å; F23-I27 HydrophobicContact CE1-CB 3.83Å; F23-I27 HydrophobicContact CE1-CD1 3.58Å; F23-I27 HydrophobicContact CE1-CG1 4.26Å; F23-I27 HydrophobicContact CE1-CG2 4.28Å; F23-I27 HydrophobicContact CZ-CB 4.38Å; F23-I27 HydrophobicContact CZ-CD1 4.4Å; F23-I27 WeakPolarHBondContact O-CG2 3.18Å; F23-I27 PolarHBondContact O-N 3.06Å; W24-I27 HydrophobicContact CE3-CG2 3.68Å; W24-I27 HydrophobicContact CZ3-CG2 4.23Å; W24-I27 WeakPolarHBondContact O-CG2 3.41Å; W24-I27 PolarHBondContact O-N 3.27Å; I27-K29 VanDerWaalsContact C-N 3.26Å; I27-K29 PolarHBondContact O-N 3.11Å; I27-H30 PolarHBondContact O-N 2.88Å; I27-L31 HydrophobicContact CG1-CD1 3.9Å; I27-L31 HydrophobicContact CG1-CD2 4.2Å; I27-L31 HydrophobicContact CG1-CG 3.84Å; I27-L31 WeakPolarHBondContact O-CG 3.47Å; I27-L31 PolarHBondContact O-N 3.41Å; I27-L31 VanDerWaalsContact O-N 3.09Å; I27-I56 HydrophobicContact CD1-CG1 4.42Å; I27-L59 HydrophobicContact CD1-CD1 3.89Å; I27-F68 HydrophobicContact CB-CE2 4.35Å; I27-F68 HydrophobicContact CD1-CE2 3.89Å; I27-F68 HydrophobicContact CD1-CZ 4.29Å; I27-F68 HydrophobicContact CG1-CE2 3.77Å; I27-F68 HydrophobicContact CG1-CZ 4.35Å
28	S	77.5	Confident	69.8	Low	30 Å²	30	71.3 Å²	71.3	21%	0.21	38%	0.378	C	S	.	.	H	α-helix	trans	-62	-28.9	-178.4	64.9	0	0	0	0	113.8	W24 P25 F26 H30 I36	W24-S28 WeakPolarHBondContact O-CB 3.37Å; W24-S28 PolarHBondContact O-N 3Å; W24-S28 PolarHBondContact O-OG 3.03Å; P25-S28 PolarHBondContact O-OG 3.01Å; F26-S28 VanDerWaalsContact C-N 3.33Å; F26-S28 PolarHBondContact O-N 3.45Å; S28-H30 PolarHBondContact O-N 3.28Å; S28-I36 VanDerWaalsContact O-CD1 3.24Å; S28-I36 WeakPolarHBondContact O-CD1 3.46Å
29	K	76.7	Confident	72.6	Confident	143 Å²	143	66.2 Å²	66.2	62%	0.622	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.1	173.2	-78.1	-174.7	169	178.5	0	113.4	F26 I27 Y81	F26-K29 PolarHBondContact O-N 2.93Å; I27-K29 VanDerWaalsContact C-N 3.26Å; I27-K29 PolarHBondContact O-N 3.11Å; K29-Y81 HydrophobicContact CD-CE2 4.29Å; K29-Y81 WeakPolarHBondContact CD-OH 3.5Å; K29-Y81 WeakPolarHBondContact CE-OH 3.29Å; K29-Y81 PolarHBondContact NZ-OH 3.1Å
30	H	69.5	Low	75.3	Confident	56 Å²	56	64.8 Å²	64.8	26%	0.259	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-5.3	-173.8	-60.1	98.3	0	0	0	113.5	F26 I27 S28 L71	F26-H30 AromaticContact CE2-CE1 3.81Å; F26-H30 PolarHBondContact O-ND1 3.08Å; I27-H30 PolarHBondContact O-N 2.88Å; S28-H30 PolarHBondContact O-N 3.28Å; H30-L71 HydrophobicContact CB-CD1 3.74Å; H30-L71 VanDerWaalsContact CD2-CD2 3.46Å; H30-L71 WeakPolarHBondContact CD2-CD2 3.33Å
31	L	71.1	Confident	77.6	Confident	19 Å²	19	66.3 Å²	66.3	10%	0.099	33%	0.333	C	S	.	.	S	Bend	trans	-85	146.1	176	-73.2	173.6	0	0	0	111.7	W24 I27 V35 I36 S55 L59	W24-L31 HydrophobicContact CH2-CD1 4.3Å; W24-L31 HydrophobicContact CZ3-CD1 3.79Å; I27-L31 HydrophobicContact CG1-CD1 3.9Å; I27-L31 HydrophobicContact CG1-CD2 4.2Å; I27-L31 HydrophobicContact CG1-CG 3.84Å; I27-L31 WeakPolarHBondContact O-CG 3.47Å; I27-L31 PolarHBondContact O-N 3.41Å; I27-L31 VanDerWaalsContact O-N 3.09Å; L31-V35 HydrophobicContact CD1-CG1 4.33Å; L31-V35 HydrophobicContact CD2-CG1 4.13Å; L31-I36 HydrophobicContact CB-CD1 4.19Å; L31-I36 HydrophobicContact CB-CG1 3.79Å; L31-I36 HydrophobicContact CD1-CG1 4.46Å; L31-S55 WeakPolarHBondContact CD1-OG 3.45Å; L31-L59 HydrophobicContact CD2-CD1 4Å; L31-L59 HydrophobicContact CD2-CD2 3.97Å; L31-L59 HydrophobicContact CD2-CG 4.15Å
32	H	75.6	Confident	79.2	Confident	100 Å²	100	63.1 Å²	63.1	46%	0.463	31%	0.309	S	S	.	.			trans	-64.2	141.1	171.5	-173.5	-97.2	0	0	0	110.8	N34 V35 I36	H32-N34 VanDerWaalsContact CE1-CG 3.42Å; H32-N34 PolarHBondContact CE1-ND2 2.94Å; H32-N34 WeakPolarHBondContact ND1-CB 3.28Å; H32-N34 PolarHBondContact ND1-N 3.02Å; H32-N34 PolarHBondContact O-N 3.13Å; H32-V35 HydrophobicContact CB-CG2 4.37Å; H32-V35 WeakPolarHBondContact O-CB 3.46Å; H32-V35 PolarHBondContact O-N 3.11Å; H32-I36 PolarHBondContact O-N 3.02Å
33	R	81.3	Confident	80.2	Confident	195 Å²	195	66 Å²	66	74%	0.736	32%	0.324	S	S	*	.	H	α-helix	trans	-47.6	-37	-179	63	-176.9	178.8	-175.2	-1.2	114.3	I36 A37	R33-I36 PolarHBondContact O-N 3.2Å; R33-A37 WeakPolarHBondContact O-CB 3.34Å; R33-A37 PolarHBondContact O-N 3.07Å
34	N	79.1	Confident	80.7	Confident	91 Å²	91	67.7 Å²	67.7	49%	0.487	33%	0.333	S	S	.	.	H	α-helix	trans	-67.7	-37.5	178.7	-63.1	-2.3	0	0	0	112.4	H32 A37 Q38	H32-N34 VanDerWaalsContact CE1-CG 3.42Å; H32-N34 PolarHBondContact CE1-ND2 2.94Å; H32-N34 WeakPolarHBondContact ND1-CB 3.28Å; H32-N34 PolarHBondContact ND1-N 3.02Å; H32-N34 PolarHBondContact O-N 3.13Å; N34-A37 PolarHBondContact O-N 2.81Å; N34-Q38 WeakPolarHBondContact O-CG 3.46Å; N34-Q38 PolarHBondContact O-N 2.98Å
35	V	78.9	Confident	80.8	Confident	20 Å²	20	67.5 Å²	67.5	12%	0.121	33%	0.333	C	S	.	.	H	α-helix	trans	-67.2	-43.4	176.7	-178.7	0	0	0	0	109.3	L31 H32 A37 Q38 V39 M58	L31-V35 HydrophobicContact CD1-CG1 4.33Å; L31-V35 HydrophobicContact CD2-CG1 4.13Å; H32-V35 HydrophobicContact CB-CG2 4.37Å; H32-V35 WeakPolarHBondContact O-CB 3.46Å; H32-V35 PolarHBondContact O-N 3.11Å; V35-A37 VanDerWaalsContact C-N 3.32Å; V35-A37 PolarHBondContact O-N 2.95Å; V35-Q38 PolarHBondContact O-N 2.97Å; V35-V39 HydrophobicContact CG1-CG2 4.38Å; V35-V39 VanDerWaalsContact O-CG2 3.26Å; V35-V39 WeakPolarHBondContact O-CG2 3.25Å; V35-V39 PolarHBondContact O-N 3.11Å; V35-M58 HydrophobicContact CG1-SD 3.91Å
36	I	84	Confident	81	Confident	34 Å²	34	73.5 Å²	73.5	17%	0.174	35%	0.354	C	S	.	.	H	α-helix	trans	-59.5	-44.5	176.2	-58.2	171.8	0	0	0	110.8	W24 S28 L31 H32 R33 V39 K40	W24-I36 HydrophobicContact CH2-CG2 4.45Å; W24-I36 HydrophobicContact CZ2-CG2 4.39Å; S28-I36 VanDerWaalsContact O-CD1 3.24Å; S28-I36 WeakPolarHBondContact O-CD1 3.46Å; L31-I36 HydrophobicContact CB-CD1 4.19Å; L31-I36 HydrophobicContact CB-CG1 3.79Å; L31-I36 HydrophobicContact CD1-CG1 4.46Å; H32-I36 PolarHBondContact O-N 3.02Å; R33-I36 PolarHBondContact O-N 3.2Å; I36-V39 PolarHBondContact O-N 3.04Å; I36-K40 HydrophobicContact CG2-CD 4.12Å; I36-K40 HydrophobicContact CG2-CG 4.48Å; I36-K40 WeakPolarHBondContact O-CB 3.22Å; I36-K40 WeakPolarHBondContact O-CG 3.36Å; I36-K40 PolarHBondContact O-N 3.22Å
37	A	87.1	Confident	81.5	Confident	47 Å²	47	74.9 Å²	74.9	39%	0.388	36%	0.364	S	S	.	.	H	α-helix	trans	-62.3	-44.1	176.6	0	0	0	0	0	112.1	R33 N34 V35 V39 K40 N41	R33-A37 WeakPolarHBondContact O-CB 3.34Å; R33-A37 PolarHBondContact O-N 3.07Å; N34-A37 PolarHBondContact O-N 2.81Å; V35-A37 VanDerWaalsContact C-N 3.32Å; V35-A37 PolarHBondContact O-N 2.95Å; A37-V39 PolarHBondContact O-N 3.28Å; A37-K40 PolarHBondContact O-N 3.06Å; A37-N41 VanDerWaalsContact O-CG 3.3Å; A37-N41 PolarHBondContact O-N 3.09Å; A37-N41 VanDerWaalsContact O-N 3.07Å; A37-N41 PolarHBondContact O-ND2 3.48Å
38	Q	85	Confident	82	Confident	113 Å²	113	77.3 Å²	77.3	53%	0.528	38%	0.377	S	S	.	.	H	α-helix	trans	-60.5	-45.7	175.9	-74.6	176.8	7.7	0	0	112	N34 V35 K40 N41 L42 M58	N34-Q38 WeakPolarHBondContact O-CG 3.46Å; N34-Q38 PolarHBondContact O-N 2.98Å; V35-Q38 PolarHBondContact O-N 2.97Å; Q38-K40 VanDerWaalsContact C-N 3.35Å; Q38-K40 PolarHBondContact O-N 3.37Å; Q38-N41 PolarHBondContact O-N 2.91Å; Q38-L42 WeakPolarHBondContact O-CG 3.39Å; Q38-M58 HydrophobicContact CB-CE 3.98Å
39	V	85.7	Confident	82.1	Confident	2 Å²	2	76.5 Å²	76.5	1%	0.012	37%	0.371	C	S	.	.	H	α-helix	trans	-62.2	-42.2	178	174.4	0	0	0	0	111.3	W24 V35 I36 A37 N41 L42 R51 V54 M58	W24-V39 HydrophobicContact CH2-CB 4.24Å; W24-V39 HydrophobicContact CH2-CG1 3.89Å; W24-V39 HydrophobicContact CZ2-CG1 4.46Å; W24-V39 HydrophobicContact CZ3-CG1 4.28Å; V35-V39 HydrophobicContact CG1-CG2 4.38Å; V35-V39 VanDerWaalsContact O-CG2 3.26Å; V35-V39 WeakPolarHBondContact O-CG2 3.25Å; V35-V39 PolarHBondContact O-N 3.11Å; I36-V39 PolarHBondContact O-N 3.04Å; A37-V39 PolarHBondContact O-N 3.28Å; V39-N41 VanDerWaalsContact C-N 3.3Å; V39-N41 PolarHBondContact O-N 3.45Å; V39-L42 PolarHBondContact O-N 3.16Å; V39-R51 HydrophobicContact CG1-CB 3.72Å; V39-R51 HydrophobicContact CG1-CG 3.87Å; V39-V54 HydrophobicContact CG1-CB 4.49Å; V39-V54 HydrophobicContact CG1-CG1 4.41Å; V39-V54 HydrophobicContact CG2-CB 4.5Å; V39-V54 HydrophobicContact CG2-CG1 3.81Å; V39-M58 HydrophobicContact CG2-CE 4.16Å; V39-M58 HydrophobicContact CG2-SD 3.81Å
40	K	87.2	Confident	82.4	Confident	133 Å²	133	69.7 Å²	69.7	58%	0.578	34%	0.341	S	S	*	.	H	α-helix	trans	-67.8	-26.3	179.3	-75.5	-178.7	177.4	-175.3	0	113.6	I36 A37 Q38 L42	I36-K40 HydrophobicContact CG2-CD 4.12Å; I36-K40 HydrophobicContact CG2-CG 4.48Å; I36-K40 WeakPolarHBondContact O-CB 3.22Å; I36-K40 WeakPolarHBondContact O-CG 3.36Å; I36-K40 PolarHBondContact O-N 3.22Å; A37-K40 PolarHBondContact O-N 3.06Å; Q38-K40 VanDerWaalsContact C-N 3.35Å; Q38-K40 PolarHBondContact O-N 3.37Å; K40-L42 VanDerWaalsContact C-N 3.3Å; K40-L42 PolarHBondContact O-N 3.41Å
41	N	89.5	Confident	83.2	Confident	139 Å²	139	70.7 Å²	70.7	74%	0.743	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-0.1	179.7	-73.5	-12.6	0	0	0	114.1	A37 Q38 V39 N43	A37-N41 VanDerWaalsContact O-CG 3.3Å; A37-N41 PolarHBondContact O-N 3.09Å; A37-N41 VanDerWaalsContact O-N 3.07Å; A37-N41 PolarHBondContact O-ND2 3.48Å; Q38-N41 PolarHBondContact O-N 2.91Å; V39-N41 VanDerWaalsContact C-N 3.3Å; V39-N41 PolarHBondContact O-N 3.45Å; N41-N43 PolarHBondContact O-N 3.2Å
42	L	86.8	Confident	83.7	Confident	29 Å²	29	69.8 Å²	69.8	15%	0.152	34%	0.338	C	S	.	.			trans	-81.5	107.5	179.7	-62.2	167.2	0	0	0	111.1	Q38 V39 K40 Q44 I45 V54 M58 L113 N114	Q38-L42 WeakPolarHBondContact O-CG 3.39Å; V39-L42 PolarHBondContact O-N 3.16Å; K40-L42 VanDerWaalsContact C-N 3.3Å; K40-L42 PolarHBondContact O-N 3.41Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.01Å; L42-I45 HydrophobicContact CB-CB 4Å; L42-I45 HydrophobicContact CB-CG1 3.62Å; L42-I45 HydrophobicContact CD1-CG1 3.95Å; L42-I45 HydrophobicContact CG-CG1 4.43Å; L42-I45 PolarHBondContact O-N 3.08Å; L42-I45 VanDerWaalsContact O-N 3.11Å; L42-V54 HydrophobicContact CD1-CB 4.37Å; L42-V54 HydrophobicContact CD1-CG1 3.52Å; L42-V54 HydrophobicContact CD1-CG2 4.02Å; L42-M58 HydrophobicContact CD1-CE 4.44Å; L42-L113 HydrophobicContact CD1-CB 4.49Å; L42-L113 WeakPolarHBondContact CD1-O 2.79Å; L42-N114 HydrophobicContact CD2-CB 3.76Å
43	N	88.1	Confident	84	Confident	121 Å²	121	67.3 Å²	67.3	65%	0.647	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.6	-173.4	65.2	-3.6	0	0	0	115.3	N41 N114	N41-N43 PolarHBondContact O-N 3.2Å; N43-N114 PolarHBondContact N-OD1 2.94Å; N43-N114 PolarHBondContact OD1-ND2 3.37Å; N43-N114 PolarHBondContact OD1-OD1 3.12Å
44	Q	83.7	Confident	84	Confident	82 Å²	82	58 Å²	58	38%	0.383	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-6.5	177.8	-62.1	-174.1	46.9	0	0	113.7	L42 N114 N119	L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.01Å; Q44-N114 WeakPolarHBondContact CB-OD1 3.46Å; Q44-N114 PolarHBondContact N-OD1 2.9Å; Q44-N114 PolarHBondContact NE2-O 2.82Å; Q44-N119 PolarHBondContact O-ND2 3.38Å
45	I	84	Confident	83.9	Confident	13 Å²	13	53.7 Å²	53.7	7%	0.067	27%	0.266	C	S	.	.			trans	-99.1	102.8	-176.3	-55.7	-63.4	0	0	0	109.6	L42 R51 V54 S115 L118	L42-I45 HydrophobicContact CB-CB 4Å; L42-I45 HydrophobicContact CB-CG1 3.62Å; L42-I45 HydrophobicContact CD1-CG1 3.95Å; L42-I45 HydrophobicContact CG-CG1 4.43Å; L42-I45 PolarHBondContact O-N 3.08Å; L42-I45 VanDerWaalsContact O-N 3.11Å; I45-R51 HydrophobicContact CG2-CG 3.97Å; I45-V54 HydrophobicContact CD1-CG2 3.76Å; I45-V54 HydrophobicContact CG1-CG2 3.95Å; I45-V54 HydrophobicContact CG2-CG2 4.48Å; I45-S115 VanDerWaalsContact CD1-O 3.31Å; I45-S115 WeakPolarHBondContact CD1-O 3.42Å; I45-L118 HydrophobicContact CD1-CB 3.8Å; I45-L118 HydrophobicContact CD1-CD1 4.13Å
46	K	83	Confident	83.7	Confident	172 Å²	172	56.2 Å²	56.2	75%	0.748	28%	0.279	S	S	*	.			trans	-113.1	-10	-170.3	-60.8	-173.4	179.2	-176.4	0	114.1	N119	K46-N119 PolarHBondContact N-OD1 2.87Å
47	S	83.9	Confident	83.3	Confident	33 Å²	33	55.5 Å²	55.5	23%	0.231	28%	0.277	C	S	.	.	S	Bend	trans	-117.1	154.4	-178.3	67.2	0	0	0	0	111.5	V49 G50 R51 N119	S47-V49 VanDerWaalsContact C-N 3.25Å; S47-V49 PolarHBondContact O-N 2.83Å; S47-G50 WeakPolarHBondContact O-CA 3.47Å; S47-G50 PolarHBondContact O-N 2.82Å; S47-G50 VanDerWaalsContact O-N 3.09Å; S47-G50 PolarHBondContact OG-N 3.15Å; S47-R51 WeakPolarHBondContact O-CG 3.4Å; S47-R51 PolarHBondContact O-N 3.46Å; S47-N119 PolarHBondContact N-OD1 3.48Å; S47-N119 WeakPolarHBondContact OG-CA 3.31Å; S47-N119 VanDerWaalsContact OG-CB 3.27Å; S47-N119 WeakPolarHBondContact OG-CB 3.23Å; S47-N119 PolarHBondContact OG-O 3.06Å; S47-N119 PolarHBondContact OG-OD1 3.06Å
48	D	83.9	Confident	82.5	Confident	51 Å²	51	54.3 Å²	54.3	27%	0.273	26%	0.263	S	S	.	.	H	α-helix	trans	-62.7	-33.6	171.5	-81.2	-5.2	0	0	0	112.5	N22 W24 G50 R51 A52	N22-D48 WeakPolarHBondContact ND2-CB 3.41Å; N22-D48 PolarHBondContact ND2-OD2 3.28Å; N22-D48 VanDerWaalsContact OD1-CB 3.26Å; N22-D48 WeakPolarHBondContact OD1-CB 3.49Å; W24-D48 HydrophobicContact CB-CB 3.87Å; W24-D48 WeakPolarHBondContact CB-O 3.29Å; W24-D48 VanDerWaalsContact CD1-OD1 3.27Å; W24-D48 HydrophobicContact CG-CB 4.27Å; D48-G50 VanDerWaalsContact C-N 3.31Å; D48-G50 PolarHBondContact O-N 3.39Å; D48-R51 PolarHBondContact O-N 3.41Å; D48-R51 IonicContact OD1-CZ 2.92Å; D48-R51 IonicContact OD1-NE 2.8Å; D48-R51 IonicContact OD1-NH1 3.98Å; D48-R51 PolarHBondContact OD1-NH1 3.34Å; D48-A52 WeakPolarHBondContact O-CB 3.46Å; D48-A52 PolarHBondContact O-N 3.12Å
49	V	79.8	Confident	81.6	Confident	13 Å²	13	50 Å²	50	8%	0.079	24%	0.243	C	C	.	.	H	α-helix	trans	-56.8	-46.3	170	171.3	0	0	0	0	110.9	S47 A52 R53 W121	S47-V49 VanDerWaalsContact C-N 3.25Å; S47-V49 PolarHBondContact O-N 2.83Å; V49-A52 PolarHBondContact O-N 3Å; V49-R53 HydrophobicContact CG1-CG 4.48Å; V49-R53 WeakPolarHBondContact O-CB 3.5Å; V49-R53 WeakPolarHBondContact O-CG 3.22Å; V49-R53 PolarHBondContact O-N 3.07Å; V49-W121 HydrophobicContact CG1-CD2 4.12Å; V49-W121 HydrophobicContact CG1-CG 3.89Å
50	G	82.2	Confident	80.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.6	-46.7	175	0	0	0	0	0	112.5	S47 D48 A52 R53 V54 L118	S47-G50 WeakPolarHBondContact O-CA 3.47Å; S47-G50 PolarHBondContact O-N 2.82Å; S47-G50 VanDerWaalsContact O-N 3.09Å; S47-G50 PolarHBondContact OG-N 3.15Å; D48-G50 VanDerWaalsContact C-N 3.31Å; D48-G50 PolarHBondContact O-N 3.39Å; G50-A52 VanDerWaalsContact C-N 3.34Å; G50-A52 PolarHBondContact O-N 2.91Å; G50-R53 PolarHBondContact O-N 2.97Å; G50-V54 WeakPolarHBondContact O-CB 3.15Å; G50-V54 VanDerWaalsContact O-CG2 3.22Å; G50-V54 WeakPolarHBondContact O-CG2 3.44Å; G50-V54 PolarHBondContact O-N 2.77Å; G50-L118 WeakPolarHBondContact CA-O 3.42Å; G50-L118 PolarHBondContact N-O 3.35Å
51	R	87.1	Confident	78.9	Confident	77 Å²	77	48.8 Å²	48.8	29%	0.291	25%	0.252	S	S	.	.	H	α-helix	trans	-60.7	-42.8	177.7	-62.9	173.5	-175.7	162.3	-5	112	W24 V39 I45 S47 D48 S55	W24-R51 HydrophobicContact CD2-CB 3.4Å; W24-R51 VanDerWaalsContact CD2-CB 3.4Å; W24-R51 HydrophobicContact CD2-CG 4.39Å; W24-R51 HydrophobicContact CE3-CB 3.57Å; W24-R51 HydrophobicContact CG-CB 3.88Å; W24-R51 HydrophobicContact CH2-CB 4.13Å; W24-R51 HydrophobicContact CZ2-CB 3.99Å; W24-R51 HydrophobicContact CZ2-CG 4.41Å; W24-R51 HydrophobicContact CZ3-CB 3.97Å; V39-R51 HydrophobicContact CG1-CB 3.72Å; V39-R51 HydrophobicContact CG1-CG 3.87Å; I45-R51 HydrophobicContact CG2-CG 3.97Å; S47-R51 WeakPolarHBondContact O-CG 3.4Å; S47-R51 PolarHBondContact O-N 3.46Å; D48-R51 PolarHBondContact O-N 3.41Å; D48-R51 IonicContact OD1-CZ 2.92Å; D48-R51 IonicContact OD1-NE 2.8Å; D48-R51 IonicContact OD1-NH1 3.98Å; D48-R51 PolarHBondContact OD1-NH1 3.34Å; R51-S55 WeakPolarHBondContact O-CB 3.35Å; R51-S55 PolarHBondContact O-N 3.46Å; R51-S55 PolarHBondContact O-OG 2.75Å
52	A	81.9	Confident	77.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-49.5	174.9	0	0	0	0	0	112	F23 W24 D48 V49 G50 V54 S55 I56	F23-A52 HydrophobicContact CB-CB 4.09Å; F23-A52 HydrophobicContact CD1-CB 4.14Å; W24-A52 HydrophobicContact CB-CB 4.2Å; D48-A52 WeakPolarHBondContact O-CB 3.46Å; D48-A52 PolarHBondContact O-N 3.12Å; V49-A52 PolarHBondContact O-N 3Å; G50-A52 VanDerWaalsContact C-N 3.34Å; G50-A52 PolarHBondContact O-N 2.91Å; A52-V54 PolarHBondContact O-N 3.4Å; A52-S55 WeakPolarHBondContact O-CB 3.2Å; A52-S55 PolarHBondContact O-N 3.13Å; A52-S55 VanDerWaalsContact O-N 3.16Å; A52-I56 WeakPolarHBondContact O-CG1 2.98Å; A52-I56 PolarHBondContact O-N 3.41Å
53	R	81.1	Confident	75.3	Confident	48 Å²	48	49.4 Å²	49.4	18%	0.181	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-42.8	-179.5	-71.9	-178.3	71.2	-155.7	-3.5	112.3	V49 G50 S55 I56 C57 F117 L118 M120 W121	V49-R53 HydrophobicContact CG1-CG 4.48Å; V49-R53 WeakPolarHBondContact O-CB 3.5Å; V49-R53 WeakPolarHBondContact O-CG 3.22Å; V49-R53 PolarHBondContact O-N 3.07Å; G50-R53 PolarHBondContact O-N 2.97Å; R53-S55 VanDerWaalsContact C-N 3.27Å; R53-S55 PolarHBondContact O-N 2.99Å; R53-I56 PolarHBondContact O-N 3.03Å; R53-C57 PolarHBondContact O-N 2.9Å; R53-C57 PolarHBondContact O-SG 2.97Å; R53-F117 PolarHBondContact NH1-O 2.96Å; R53-L118 HydrophobicContact CB-CD2 4.31Å; R53-L118 WeakPolarHBondContact CD-O 3.24Å; R53-L118 PolarHBondContact NH1-O 3.06Å; R53-M120 PolarHBondContact NH1-O 2.82Å; R53-W121 HydrophobicContact CG-CD2 4.41Å; R53-W121 HydrophobicContact CG-CE3 4.1Å; R53-W121 HydrophobicContact CG-CH2 3.41Å; R53-W121 VanDerWaalsContact CG-CH2 3.41Å; R53-W121 HydrophobicContact CG-CZ2 3.74Å; R53-W121 HydrophobicContact CG-CZ3 3.61Å
54	V	82.1	Confident	73.5	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.9	-42.2	173.9	172.1	0	0	0	0	110.8	V39 L42 I45 G50 A52 C57 M58 L113 L118	V39-V54 HydrophobicContact CG1-CB 4.49Å; V39-V54 HydrophobicContact CG1-CG1 4.41Å; V39-V54 HydrophobicContact CG2-CB 4.5Å; V39-V54 HydrophobicContact CG2-CG1 3.81Å; L42-V54 HydrophobicContact CD1-CB 4.37Å; L42-V54 HydrophobicContact CD1-CG1 3.52Å; L42-V54 HydrophobicContact CD1-CG2 4.02Å; I45-V54 HydrophobicContact CD1-CG2 3.76Å; I45-V54 HydrophobicContact CG1-CG2 3.95Å; I45-V54 HydrophobicContact CG2-CG2 4.48Å; G50-V54 WeakPolarHBondContact O-CB 3.15Å; G50-V54 VanDerWaalsContact O-CG2 3.22Å; G50-V54 WeakPolarHBondContact O-CG2 3.44Å; G50-V54 PolarHBondContact O-N 2.77Å; A52-V54 PolarHBondContact O-N 3.4Å; V54-C57 WeakPolarHBondContact O-CB 3.1Å; V54-C57 PolarHBondContact O-N 2.92Å; V54-M58 HydrophobicContact CG1-CE 3.71Å; V54-M58 HydrophobicContact CG1-CG 4.27Å; V54-M58 HydrophobicContact CG1-SD 4.07Å; V54-M58 WeakPolarHBondContact O-CG 3.26Å; V54-M58 PolarHBondContact O-N 3.47Å; V54-L113 HydrophobicContact CG1-CB 4.31Å; V54-L113 HydrophobicContact CG1-CD2 4.25Å; V54-L113 WeakPolarHBondContact CG2-O 3.43Å; V54-L118 HydrophobicContact CG2-CD1 3.62Å
55	S	77.6	Confident	71.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-43.4	-179.3	-59.9	0	0	0	0	112.1	W24 L31 R51 A52 R53 C57 M58 L59	W24-S55 WeakPolarHBondContact CZ3-OG 3.39Å; L31-S55 WeakPolarHBondContact CD1-OG 3.45Å; R51-S55 WeakPolarHBondContact O-CB 3.35Å; R51-S55 PolarHBondContact O-N 3.46Å; R51-S55 PolarHBondContact O-OG 2.75Å; A52-S55 WeakPolarHBondContact O-CB 3.2Å; A52-S55 PolarHBondContact O-N 3.13Å; A52-S55 VanDerWaalsContact O-N 3.16Å; R53-S55 VanDerWaalsContact C-N 3.27Å; R53-S55 PolarHBondContact O-N 2.99Å; S55-C57 VanDerWaalsContact C-N 3.33Å; S55-C57 PolarHBondContact O-N 3.38Å; S55-M58 PolarHBondContact O-N 3.05Å; S55-L59 WeakPolarHBondContact O-CB 3.49Å; S55-L59 WeakPolarHBondContact O-CG 3.37Å; S55-L59 PolarHBondContact O-N 3.01Å
56	I	75	Confident	70.1	Confident	73 Å²	73	51 Å²	51	37%	0.374	25%	0.252	S	S	.	.	H	α-helix	trans	-59.5	-46.1	173.3	-65	166.7	0	0	0	110.3	F23 I27 A52 R53 M58 L59 S60 W121	F23-I56 HydrophobicContact CD1-CD1 4.29Å; F23-I56 HydrophobicContact CE1-CD1 4.14Å; F23-I56 HydrophobicContact CE1-CG1 4.33Å; I27-I56 HydrophobicContact CD1-CG1 4.42Å; A52-I56 WeakPolarHBondContact O-CG1 2.98Å; A52-I56 PolarHBondContact O-N 3.41Å; R53-I56 PolarHBondContact O-N 3.03Å; I56-M58 PolarHBondContact O-N 2.91Å; I56-L59 PolarHBondContact O-N 3.06Å; I56-S60 PolarHBondContact O-N 2.66Å; I56-S60 PolarHBondContact O-OG 3.42Å; I56-W121 HydrophobicContact CD1-CH2 4.42Å
57	C	74.3	Confident	68.6	Low	20 Å²	20	51.8 Å²	51.8	14%	0.135	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-45.1	176.5	-69.2	0	0	0	0	112.4	R53 V54 S55 S60 S61 F111 L113	R53-C57 PolarHBondContact O-N 2.9Å; R53-C57 PolarHBondContact O-SG 2.97Å; V54-C57 WeakPolarHBondContact O-CB 3.1Å; V54-C57 PolarHBondContact O-N 2.92Å; S55-C57 VanDerWaalsContact C-N 3.33Å; S55-C57 PolarHBondContact O-N 3.38Å; C57-S60 WeakPolarHBondContact CA-OG 3.48Å; C57-S60 PolarHBondContact O-N 2.96Å; C57-S60 PolarHBondContact O-OG 3.12Å; C57-S61 PolarHBondContact O-N 3.02Å; C57-F111 HydrophobicContact CB-CB 3.93Å; C57-F111 HydrophobicContact CB-CD2 3.65Å; C57-F111 HydrophobicContact CB-CE2 4.25Å; C57-F111 HydrophobicContact CB-CG 3.78Å; C57-F111 WeakPolarHBondContact O-CD2 3.08Å; C57-L113 HydrophobicContact CB-CD2 3.51Å
58	M	71.3	Confident	67	Low	22 Å²	22	52.6 Å²	52.6	11%	0.108	25%	0.25	C	S	.	.	H	α-helix	trans	-63.4	-43.5	176.4	-74.2	-178.9	175.2	0	0	111.6	V35 Q38 V39 L42 V54 S55 I56 S60 S61 L113	V35-M58 HydrophobicContact CG1-SD 3.91Å; Q38-M58 HydrophobicContact CB-CE 3.98Å; V39-M58 HydrophobicContact CG2-CE 4.16Å; V39-M58 HydrophobicContact CG2-SD 3.81Å; L42-M58 HydrophobicContact CD1-CE 4.44Å; V54-M58 HydrophobicContact CG1-CE 3.71Å; V54-M58 HydrophobicContact CG1-CG 4.27Å; V54-M58 HydrophobicContact CG1-SD 4.07Å; V54-M58 WeakPolarHBondContact O-CG 3.26Å; V54-M58 PolarHBondContact O-N 3.47Å; S55-M58 PolarHBondContact O-N 3.05Å; I56-M58 PolarHBondContact O-N 2.91Å; M58-S60 PolarHBondContact O-N 3.08Å; M58-S61 PolarHBondContact O-N 3.33Å; M58-S61 PolarHBondContact O-OG 2.91Å; M58-L113 HydrophobicContact CE-CD1 3.7Å; M58-L113 HydrophobicContact CG-CD1 3.67Å; M58-L113 HydrophobicContact CG-CD2 4.09Å
59	L	65.6	Low	65.3	Low	21 Å²	21	51.3 Å²	51.3	11%	0.11	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-38.3	178.3	-71.4	174.1	0	0	0	112.4	I27 L31 S55 I56 S61 S62 F68	I27-L59 HydrophobicContact CD1-CD1 3.89Å; L31-L59 HydrophobicContact CD2-CD1 4Å; L31-L59 HydrophobicContact CD2-CD2 3.97Å; L31-L59 HydrophobicContact CD2-CG 4.15Å; S55-L59 WeakPolarHBondContact O-CB 3.49Å; S55-L59 WeakPolarHBondContact O-CG 3.37Å; S55-L59 PolarHBondContact O-N 3.01Å; I56-L59 PolarHBondContact O-N 3.06Å; L59-S61 PolarHBondContact O-N 2.57Å; L59-S62 PolarHBondContact O-N 3.27Å; L59-F68 HydrophobicContact CD1-CD2 4.36Å
60	S	61.1	Low	63.6	Low	39 Å²	39	56.3 Å²	56.3	27%	0.273	27%	0.272	S	S	.	.	H	α-helix	trans	-69.5	-14.1	176.9	58.5	0	0	0	0	114.3	I56 C57 M58 F111	I56-S60 PolarHBondContact O-N 2.66Å; I56-S60 PolarHBondContact O-OG 3.42Å; C57-S60 WeakPolarHBondContact CA-OG 3.48Å; C57-S60 PolarHBondContact O-N 2.96Å; C57-S60 PolarHBondContact O-OG 3.12Å; M58-S60 PolarHBondContact O-N 3.08Å; S60-F111 WeakPolarHBondContact OG-CE2 3.45Å
61	S	54.9	Low	62	Low	72 Å²	72	57.5 Å²	57.5	50%	0.503	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-3.2	176.7	67.1	0	0	0	0	114.1	C57 M58 L59	C57-S61 PolarHBondContact O-N 3.02Å; M58-S61 PolarHBondContact O-N 3.33Å; M58-S61 PolarHBondContact O-OG 2.91Å; L59-S61 PolarHBondContact O-N 2.57Å
62	S	53.3	Low	60.2	Low	47 Å²	47	55 Å²	55	33%	0.329	28%	0.276	S	S	.	.	S	Bend	trans	-139.6	157.5	-170.5	-172.8	0	0	0	0	112.1	L59 Y64 Y65	L59-S62 PolarHBondContact O-N 3.27Å; S62-Y64 PolarHBondContact O-N 2.87Å; S62-Y64 WeakPolarHBondContact OG-CD2 3.45Å; S62-Y64 WeakPolarHBondContact OG-CE2 3.47Å; S62-Y65 PolarHBondContact O-N 3.41Å
63	I	47.1	Very low	58.5	Low	133 Å²	133	61.7 Å²	61.7	68%	0.682	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-4.7	179.5	-141.1	162.6	0	0	0	113.4	Y65 Y66	I63-Y65 PolarHBondContact O-N 3.4Å; I63-Y66 HydrophobicContact CG1-CD2 4.16Å; I63-Y66 HydrophobicContact CG1-CE2 4.18Å; I63-Y66 VanDerWaalsContact O-CD2 3.29Å; I63-Y66 WeakPolarHBondContact O-CD2 3.44Å
64	Y	50.2	Low	56.9	Low	114 Å²	114	63.7 Å²	63.7	45%	0.447	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.1	177.9	-59.8	-62.5	0	0	0	114.7	S62 Y66 R67	S62-Y64 PolarHBondContact O-N 2.87Å; S62-Y64 WeakPolarHBondContact OG-CD2 3.45Å; S62-Y64 WeakPolarHBondContact OG-CE2 3.47Å; Y64-Y66 PolarHBondContact O-N 3.1Å; Y64-R67 WeakPolarHBondContact O-CB 3.49Å; Y64-R67 PolarHBondContact O-N 2.96Å
65	Y	49.3	Very low	55.3	Low	45 Å²	45	69.7 Å²	69.7	18%	0.176	35%	0.352	C	S	.	.	H	α-helix	trans	-51.2	-39.4	172.8	-177	-94	0	0	0	112.3	S62 I63 R67 F68 L101	S62-Y65 PolarHBondContact O-N 3.41Å; I63-Y65 PolarHBondContact O-N 3.4Å; Y65-R67 PolarHBondContact O-N 3.41Å; Y65-F68 PolarHBondContact O-N 3.08Å; Y65-L101 HydrophobicContact CE1-CB 3.67Å; Y65-L101 HydrophobicContact CE2-CB 3.71Å; Y65-L101 HydrophobicContact CE2-CD1 3.86Å; Y65-L101 HydrophobicContact CE2-CG 4.27Å; Y65-L101 WeakPolarHBondContact OH-CB 3.35Å; Y65-L101 WeakPolarHBondContact OH-CD1 3.18Å; Y65-L101 WeakPolarHBondContact OH-CG 3.17Å
66	Y	47.3	Very low	54	Low	92 Å²	92	75.3 Å²	75.3	36%	0.361	39%	0.386	S	S	.	.	H	α-helix	trans	-63	-25.6	179.6	-64.2	-68.7	0	0	0	113.7	I63 Y64 L70 R102	I63-Y66 HydrophobicContact CG1-CD2 4.16Å; I63-Y66 HydrophobicContact CG1-CE2 4.18Å; I63-Y66 VanDerWaalsContact O-CD2 3.29Å; I63-Y66 WeakPolarHBondContact O-CD2 3.44Å; Y64-Y66 PolarHBondContact O-N 3.1Å; Y66-L70 WeakPolarHBondContact O-CB 3.31Å; Y66-L70 WeakPolarHBondContact O-CD1 3.34Å; Y66-L70 VanDerWaalsContact O-CG 3.32Å; Y66-L70 WeakPolarHBondContact O-CG 3.48Å; Y66-L70 PolarHBondContact O-N 2.88Å; Y66-L70 VanDerWaalsContact O-N 3.07Å; Y66-R102 HydrophobicContact CE1-CG 4.18Å
67	R	51.1	Low	53	Low	188 Å²	188	73.8 Å²	73.8	71%	0.709	38%	0.381	S	S	*	.	H	α-helix	trans	-78.1	-21.6	-178.7	-143	169.7	178.3	136.5	-1.9	112.5	Y64 Y65 L71	Y64-R67 WeakPolarHBondContact O-CB 3.49Å; Y64-R67 PolarHBondContact O-N 2.96Å; Y65-R67 PolarHBondContact O-N 3.41Å; R67-L71 WeakPolarHBondContact O-CG 3.39Å
68	F	50.7	Low	52.3	Low	50 Å²	50	73.7 Å²	73.7	22%	0.219	38%	0.378	C	S	.	.	H	α-helix	trans	-81.5	-36.5	174.7	-142.9	-94.1	0	0	0	111.8	F23 F26 I27 L59 Y65 L71	F23-F68 HydrophobicContact CE1-CZ 4.24Å; F23-F68 HydrophobicContact CE2-CZ 4.38Å; F23-F68 AromaticContact CZ-CE1 3.92Å; F23-F68 HydrophobicContact CZ-CE1 3.92Å; F23-F68 AromaticContact CZ-CZ 3.53Å; F23-F68 HydrophobicContact CZ-CZ 3.53Å; F26-F68 HydrophobicContact CD1-CZ 4.28Å; F26-F68 HydrophobicContact CE1-CE1 4.18Å; F26-F68 AromaticContact CE1-CZ 3.63Å; F26-F68 HydrophobicContact CE1-CZ 3.63Å; I27-F68 HydrophobicContact CB-CE2 4.35Å; I27-F68 HydrophobicContact CD1-CE2 3.89Å; I27-F68 HydrophobicContact CD1-CZ 4.29Å; I27-F68 HydrophobicContact CG1-CE2 3.77Å; I27-F68 HydrophobicContact CG1-CZ 4.35Å; L59-F68 HydrophobicContact CD1-CD2 4.36Å; Y65-F68 PolarHBondContact O-N 3.08Å; F68-L71 HydrophobicContact CD2-CD1 4.27Å; F68-L71 PolarHBondContact O-N 2.86Å
69	A	47.7	Very low	51.7	Low	24 Å²	24	81.8 Å²	81.8	20%	0.198	41%	0.407	C	S	.	.	H	α-helix	trans	-71.2	-27.2	173	0	0	0	0	0	113.3	L71 S98	A69-L71 VanDerWaalsContact C-N 3.32Å; A69-S98 WeakPolarHBondContact CB-OG 3.46Å
70	L	45.3	Very low	51.7	Low	118 Å²	118	88.6 Å²	88.6	62%	0.618	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-79.1	-7.9	174.9	-81.1	161.1	0	0	0	114.2	Y66 G72	Y66-L70 WeakPolarHBondContact O-CB 3.31Å; Y66-L70 WeakPolarHBondContact O-CD1 3.34Å; Y66-L70 VanDerWaalsContact O-CG 3.32Å; Y66-L70 WeakPolarHBondContact O-CG 3.48Å; Y66-L70 PolarHBondContact O-N 2.88Å; Y66-L70 VanDerWaalsContact O-N 3.07Å; L70-G72 PolarHBondContact O-N 3.18Å
71	L	49.2	Very low	51.9	Low	25 Å²	25	90.8 Å²	90.8	13%	0.131	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-76.1	-9.8	175.1	-70.8	165.4	0	0	0	113.3	H30 R67 F68 A69 N73 I74 F78	H30-L71 HydrophobicContact CB-CD1 3.74Å; H30-L71 VanDerWaalsContact CD2-CD2 3.46Å; H30-L71 WeakPolarHBondContact CD2-CD2 3.33Å; R67-L71 WeakPolarHBondContact O-CG 3.39Å; F68-L71 HydrophobicContact CD2-CD1 4.27Å; F68-L71 PolarHBondContact O-N 2.86Å; A69-L71 VanDerWaalsContact C-N 3.32Å; L71-N73 PolarHBondContact O-N 2.89Å; L71-N73 VanDerWaalsContact O-N 3.1Å; L71-I74 HydrophobicContact CD2-CD1 4.18Å; L71-I74 PolarHBondContact O-N 3.37Å; L71-I74 VanDerWaalsContact O-N 3.13Å; L71-F78 HydrophobicContact CB-CZ 4.44Å; L71-F78 WeakPolarHBondContact O-CE2 3.4Å; L71-F78 WeakPolarHBondContact O-CZ 3.42Å
72	G	47.6	Very low	52.6	Low	24 Å²	24	90.1 Å²	90.1	25%	0.247	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-59.9	-14.6	170.2	0	0	0	0	0	113.9	L70	L70-G72 PolarHBondContact O-N 3.18Å
73	N	46.5	Very low	53.3	Low	141 Å²	141	92.8 Å²	92.8	75%	0.754	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-92.9	10.4	176	-91.8	-14.6	0	0	0	114.8	L71	L71-N73 PolarHBondContact O-N 2.89Å; L71-N73 VanDerWaalsContact O-N 3.1Å
74	I	47.3	Very low	54.2	Low	90 Å²	90	92.2 Å²	92.2	46%	0.462	44%	0.441	S	S	.	.			trans	-125.5	80.9	173.7	-45.5	179	0	0	0	108.7	L71 V76 P77 F78	L71-I74 HydrophobicContact CD2-CD1 4.18Å; L71-I74 PolarHBondContact O-N 3.37Å; L71-I74 VanDerWaalsContact O-N 3.13Å; I74-V76 PolarHBondContact O-N 3.48Å; I74-P77 HydrophobicContact CG2-CG 4.26Å; I74-P77 WeakPolarHBondContact O-CD 3.36Å; I74-F78 WeakPolarHBondContact O-CD2 3.07Å; I74-F78 WeakPolarHBondContact O-CE2 3.11Å
75	F	48.7	Very low	54.9	Low	126 Å²	126	98.6 Å²	98.6	55%	0.553	46%	0.464	S	S	*	.			trans	-57.9	-14.8	-177.6	-86	-90.1	0	0	0	115.4
76	V	50.1	Low	55.8	Low	117 Å²	117	97.4 Å²	97.4	71%	0.709	46%	0.464	S	S	*	.	S	Bend	trans	-79.6	-38	-164	-170.4	0	0	0	0	115	I74	I74-V76 PolarHBondContact O-N 3.48Å
77	P	54.3	Low	56.8	Low	41 Å²	41	97 Å²	97	27%	0.266	47%	0.468	S	S	.	.	S	Bend	trans	-84.9	-11.7	-175.5	-12.5	29.7	0	0	0	115.5	I74	I74-P77 HydrophobicContact CG2-CG 4.26Å; I74-P77 WeakPolarHBondContact O-CD 3.36Å
78	F	59.3	Low	57.5	Low	19 Å²	19	90 Å²	90	8%	0.083	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-69.3	-39.1	-169.9	-68.3	-76.5	0	0	0	113.2	F26 L71 I74 H80 Y81 Y82 L88	F26-F78 HydrophobicContact CE2-CD1 4.13Å; F26-F78 HydrophobicContact CE2-CE1 4.15Å; F26-F78 HydrophobicContact CZ-CD1 4.15Å; F26-F78 AromaticContact CZ-CE1 3.81Å; F26-F78 HydrophobicContact CZ-CE1 3.81Å; L71-F78 HydrophobicContact CB-CZ 4.44Å; L71-F78 WeakPolarHBondContact O-CE2 3.4Å; L71-F78 WeakPolarHBondContact O-CZ 3.42Å; I74-F78 WeakPolarHBondContact O-CD2 3.07Å; I74-F78 WeakPolarHBondContact O-CE2 3.11Å; F78-H80 PolarHBondContact O-N 3.42Å; F78-H80 VanDerWaalsContact O-N 3.16Å; F78-Y81 PolarHBondContact O-N 2.97Å; F78-Y82 HydrophobicContact CD1-CD2 4.5Å; F78-Y82 PolarHBondContact O-N 3.02Å; F78-L88 HydrophobicContact CD1-CB 4.14Å; F78-L88 HydrophobicContact CE1-CB 4.24Å
79	R	59.1	Low	58.3	Low	191 Å²	191	89.2 Å²	89.2	72%	0.721	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-65.1	-19.3	-175.8	-66.1	-173.7	176.4	170.3	1.8	114.4	D84	R79-D84 IonicContact NE-OD1 3.98Å
80	H	66.8	Low	59.3	Low	165 Å²	165	91.1 Å²	91.1	76%	0.764	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-80.9	-18	175.8	-69.5	-63.2	0	0	0	113.7	F78	F78-H80 PolarHBondContact O-N 3.42Å; F78-H80 VanDerWaalsContact O-N 3.16Å
81	Y	64.7	Low	60.3	Low	85 Å²	85	88.5 Å²	88.5	33%	0.333	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-24	-176.3	-70.1	-78.6	0	0	0	113.3	P25 F26 K29 F78	P25-Y81 HydrophobicContact CB-CE1 3.99Å; F26-Y81 HydrophobicContact CB-CD1 4.11Å; F26-Y81 HydrophobicContact CB-CE1 4.49Å; F26-Y81 HydrophobicContact CB-CG 4.18Å; F26-Y81 AromaticContact CD2-CD2 3.91Å; F26-Y81 HydrophobicContact CD2-CD2 3.91Å; F26-Y81 HydrophobicContact CD2-CG 4.06Å; K29-Y81 HydrophobicContact CD-CE2 4.29Å; K29-Y81 WeakPolarHBondContact CD-OH 3.5Å; K29-Y81 WeakPolarHBondContact CE-OH 3.29Å; K29-Y81 PolarHBondContact NZ-OH 3.1Å; F78-Y81 PolarHBondContact O-N 2.97Å
82	Y	68.5	Low	61.3	Low	57 Å²	57	94.8 Å²	94.8	22%	0.224	47%	0.471	C	S	.	.	S	Bend	trans	-131.5	150.9	-173.1	-62.1	-77.5	0	0	0	111.1	F23 F26 F78 A86 L88	F23-Y82 WeakPolarHBondContact CD2-OH 3.35Å; F23-Y82 WeakPolarHBondContact CE2-OH 3.46Å; F26-Y82 AromaticContact CD1-CE2 3.99Å; F26-Y82 HydrophobicContact CD1-CE2 3.99Å; F26-Y82 WeakPolarHBondContact CD1-OH 3.24Å; F26-Y82 AromaticContact CD2-CE2 3.75Å; F26-Y82 HydrophobicContact CD2-CE2 3.75Å; F26-Y82 HydrophobicContact CE1-CE2 4.03Å; F26-Y82 AromaticContact CE2-CE2 3.83Å; F26-Y82 HydrophobicContact CE2-CE2 3.83Å; F26-Y82 AromaticContact CG-CE2 3.84Å; F26-Y82 HydrophobicContact CG-CE2 3.84Å; F26-Y82 AromaticContact CZ-CE2 3.97Å; F26-Y82 HydrophobicContact CZ-CE2 3.97Å; F78-Y82 HydrophobicContact CD1-CD2 4.5Å; F78-Y82 PolarHBondContact O-N 3.02Å; Y82-A86 HydrophobicContact CD1-CB 4.02Å; Y82-A86 HydrophobicContact CG-CB 4.11Å; Y82-L88 HydrophobicContact CD2-CD1 4.27Å; Y82-L88 HydrophobicContact CE1-CD1 3.96Å; Y82-L88 HydrophobicContact CE2-CD1 3.61Å; Y82-L88 VanDerWaalsContact CZ-CD1 3.44Å
83	T	68.9	Low	62.2	Low	104 Å²	104	97.5 Å²	97.5	64%	0.638	48%	0.48	S	S	*	.			trans	-74.8	158.5	169.3	55.9	0	0	0	0	110	R85 A86 C89	T83-R85 PolarHBondContact O-N 3.2Å; T83-A86 WeakPolarHBondContact O-CB 3.07Å; T83-A86 PolarHBondContact O-N 3.46Å; T83-C89 PolarHBondContact O-SG 2.91Å; T83-C89 VanDerWaalsContact O-SG 3.41Å
84	D	65.5	Low	63	Low	121 Å²	121	91.8 Å²	91.8	65%	0.647	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.7	-179.1	-62.4	-41	0	0	0	113.8	R79	R79-D84 IonicContact NE-OD1 3.98Å
85	R	66.1	Low	63.8	Low	247 Å²	247	91 Å²	91	93%	0.932	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	0.5	175.5	-61.5	-173.6	179.6	-169	-1.2	113.8	T83	T83-R85 PolarHBondContact O-N 3.2Å
86	A	67.3	Low	64.7	Low	20 Å²	20	87 Å²	87	17%	0.165	44%	0.439	C	S	.	.	S	Bend	trans	-72.8	143.5	-179.7	0	0	0	0	0	110.9	Y82 T83 L88 C89	Y82-A86 HydrophobicContact CD1-CB 4.02Å; Y82-A86 HydrophobicContact CG-CB 4.11Å; T83-A86 WeakPolarHBondContact O-CB 3.07Å; T83-A86 PolarHBondContact O-N 3.46Å; A86-L88 PolarHBondContact O-N 3.1Å; A86-C89 WeakPolarHBondContact O-CB 3.49Å; A86-C89 PolarHBondContact O-N 3.43Å
87	L	68.7	Low	65.4	Low	85 Å²	85	83.9 Å²	83.9	45%	0.445	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-51.1	-34.5	177.3	-179.4	147.6	0	0	0	113.2	C89 D90 L93 V94 V97	L87-C89 VanDerWaalsContact C-N 3.28Å; L87-C89 PolarHBondContact O-N 3.39Å; L87-D90 PolarHBondContact O-N 3.44Å; L87-L93 HydrophobicContact CG-CB 4.19Å; L87-V94 WeakPolarHBondContact O-CG2 3.5Å; L87-V97 HydrophobicContact CD1-CG2 4.19Å; L87-V97 HydrophobicContact CD2-CG2 4.22Å
88	L	66.2	Low	65.7	Low	41 Å²	41	82.7 Å²	82.7	22%	0.215	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-75.7	-12	-179.9	-67.9	173.8	0	0	0	114.2	F23 F26 F78 Y82 A86 V94	F23-L88 HydrophobicContact CE2-CD1 4.5Å; F26-L88 HydrophobicContact CE1-CD1 4.01Å; F26-L88 HydrophobicContact CZ-CD1 4.29Å; F78-L88 HydrophobicContact CD1-CB 4.14Å; F78-L88 HydrophobicContact CE1-CB 4.24Å; Y82-L88 HydrophobicContact CD2-CD1 4.27Å; Y82-L88 HydrophobicContact CE1-CD1 3.96Å; Y82-L88 HydrophobicContact CE2-CD1 3.61Å; Y82-L88 VanDerWaalsContact CZ-CD1 3.44Å; A86-L88 PolarHBondContact O-N 3.1Å; L88-V94 HydrophobicContact CD2-CG2 4.36Å
89	C	66.7	Low	65.8	Low	33 Å²	33	87.1 Å²	87.1	22%	0.223	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-90.5	-9.8	175.1	-65.8	0	0	0	0	112.5	T83 A86 L87	T83-C89 PolarHBondContact O-SG 2.91Å; T83-C89 VanDerWaalsContact O-SG 3.41Å; A86-C89 WeakPolarHBondContact O-CB 3.49Å; A86-C89 PolarHBondContact O-N 3.43Å; L87-C89 VanDerWaalsContact C-N 3.28Å; L87-C89 PolarHBondContact O-N 3.39Å
90	D	69.1	Low	66.1	Low	64 Å²	64	86 Å²	86	34%	0.342	43%	0.43	S	S	.	.			trans	-102.8	112.4	179.7	-176.1	-40.2	0	0	0	110.6	L87 E92 L93 V94	L87-D90 PolarHBondContact O-N 3.44Å; D90-E92 VanDerWaalsContact C-N 3.31Å; D90-E92 PolarHBondContact O-N 2.87Å; D90-E92 WeakPolarHBondContact OD1-CA 3.42Å; D90-E92 WeakPolarHBondContact OD1-CB 3.44Å; D90-E92 PolarHBondContact OD1-N 2.95Å; D90-L93 HydrophobicContact CB-CB 4.01Å; D90-L93 HydrophobicContact CB-CD1 3.89Å; D90-L93 HydrophobicContact CB-CG 4.04Å; D90-L93 PolarHBondContact O-N 3.04Å; D90-L93 PolarHBondContact OD1-N 3.06Å; D90-L93 WeakPolarHBondContact OD2-CD1 3.47Å; D90-V94 WeakPolarHBondContact O-CB 3.06Å; D90-V94 VanDerWaalsContact O-CG2 3.22Å; D90-V94 WeakPolarHBondContact O-CG2 3.26Å; D90-V94 PolarHBondContact O-N 3.42Å
91	S	66.4	Low	66	Low	63 Å²	63	80.8 Å²	80.8	44%	0.441	41%	0.408	S	S	.	.	H	α-helix	trans	-65	-31.3	-176.8	52.9	0	0	0	0	113.7	T95	S91-T95 WeakPolarHBondContact O-CB 3.17Å; S91-T95 PolarHBondContact O-N 3.16Å; S91-T95 PolarHBondContact O-OG1 2.99Å
92	E	69	Low	65.8	Low	156 Å²	156	81.7 Å²	81.7	73%	0.729	41%	0.411	S	S	*	.	H	α-helix	trans	-72.9	-47	179.6	-64	-171.5	175.1	0	0	110	D90 V94 T95 A96	D90-E92 VanDerWaalsContact C-N 3.31Å; D90-E92 PolarHBondContact O-N 2.87Å; D90-E92 WeakPolarHBondContact OD1-CA 3.42Å; D90-E92 WeakPolarHBondContact OD1-CB 3.44Å; D90-E92 PolarHBondContact OD1-N 2.95Å; E92-V94 PolarHBondContact O-N 3.13Å; E92-T95 WeakPolarHBondContact O-CB 3.46Å; E92-T95 PolarHBondContact O-N 3.1Å; E92-A96 PolarHBondContact O-N 3.18Å
93	L	67.7	Low	65.6	Low	82 Å²	82	80.4 Å²	80.4	43%	0.429	41%	0.412	S	S	.	.	H	α-helix	trans	-63.2	-41.5	176.6	-65.7	179.9	0	0	0	111.9	L87 D90 T95 A96 V97	L87-L93 HydrophobicContact CG-CB 4.19Å; D90-L93 HydrophobicContact CB-CB 4.01Å; D90-L93 HydrophobicContact CB-CD1 3.89Å; D90-L93 HydrophobicContact CB-CG 4.04Å; D90-L93 PolarHBondContact O-N 3.04Å; D90-L93 PolarHBondContact OD1-N 3.06Å; D90-L93 WeakPolarHBondContact OD2-CD1 3.47Å; L93-T95 VanDerWaalsContact C-N 3.3Å; L93-T95 PolarHBondContact O-N 3.36Å; L93-A96 PolarHBondContact O-N 2.92Å; L93-V97 WeakPolarHBondContact O-CB 3.5Å; L93-V97 VanDerWaalsContact O-CG2 3.29Å; L93-V97 WeakPolarHBondContact O-CG2 3.45Å; L93-V97 PolarHBondContact O-N 3.24Å
94	V	62.4	Low	65.3	Low	21 Å²	21	78 Å²	78	13%	0.127	40%	0.395	C	S	.	.	H	α-helix	trans	-60.4	-41.9	174.2	169.7	0	0	0	0	111.2	L87 L88 D90 E92 S98	L87-V94 WeakPolarHBondContact O-CG2 3.5Å; L88-V94 HydrophobicContact CD2-CG2 4.36Å; D90-V94 WeakPolarHBondContact O-CB 3.06Å; D90-V94 VanDerWaalsContact O-CG2 3.22Å; D90-V94 WeakPolarHBondContact O-CG2 3.26Å; D90-V94 PolarHBondContact O-N 3.42Å; E92-V94 PolarHBondContact O-N 3.13Å; V94-S98 VanDerWaalsContact O-CB 3.31Å; V94-S98 WeakPolarHBondContact O-CB 3.49Å; V94-S98 PolarHBondContact O-N 3.16Å
95	T	63.8	Low	65.1	Low	74 Å²	74	75.1 Å²	75.1	45%	0.454	39%	0.388	S	S	.	.	H	α-helix	trans	-64.2	-48.2	177.7	-61.7	0	0	0	0	110.8	S91 E92 L93 V97 S98 H99	S91-T95 WeakPolarHBondContact O-CB 3.17Å; S91-T95 PolarHBondContact O-N 3.16Å; S91-T95 PolarHBondContact O-OG1 2.99Å; E92-T95 WeakPolarHBondContact O-CB 3.46Å; E92-T95 PolarHBondContact O-N 3.1Å; L93-T95 VanDerWaalsContact C-N 3.3Å; L93-T95 PolarHBondContact O-N 3.36Å; T95-V97 PolarHBondContact O-N 3.1Å; T95-S98 WeakPolarHBondContact O-CB 3.29Å; T95-S98 PolarHBondContact O-N 3.34Å; T95-H99 PolarHBondContact O-CD2 3.3Å; T95-H99 PolarHBondContact O-N 3.16Å
96	A	67.9	Low	65	Low	40 Å²	40	72.2 Å²	72.2	33%	0.331	38%	0.382	S	S	.	.	H	α-helix	trans	-57.4	-49.8	176.3	0	0	0	0	0	112	E92 L93 S98 H99 Y100	E92-A96 PolarHBondContact O-N 3.18Å; L93-A96 PolarHBondContact O-N 2.92Å; A96-S98 VanDerWaalsContact C-N 3.3Å; A96-S98 PolarHBondContact O-N 3.46Å; A96-H99 WeakPolarHBondContact O-CB 3.09Å; A96-H99 PolarHBondContact O-N 3.27Å; A96-Y100 HydrophobicContact CB-CE2 4.39Å; A96-Y100 WeakPolarHBondContact O-CD2 3.39Å; A96-Y100 PolarHBondContact O-N 2.85Å
97	V	64.2	Low	64.7	Low	53 Å²	53	74.5 Å²	74.5	32%	0.321	39%	0.389	S	S	.	.	H	α-helix	trans	-59.6	-40	177.5	168.3	0	0	0	0	111.7	L87 L93 T95 H99 Y100 L101	L87-V97 HydrophobicContact CD1-CG2 4.19Å; L87-V97 HydrophobicContact CD2-CG2 4.22Å; L93-V97 WeakPolarHBondContact O-CB 3.5Å; L93-V97 VanDerWaalsContact O-CG2 3.29Å; L93-V97 WeakPolarHBondContact O-CG2 3.45Å; L93-V97 PolarHBondContact O-N 3.24Å; T95-V97 PolarHBondContact O-N 3.1Å; V97-H99 PolarHBondContact O-N 2.94Å; V97-Y100 PolarHBondContact O-N 3.46Å; V97-L101 HydrophobicContact CG1-CD1 3.49Å; V97-L101 VanDerWaalsContact CG1-CD1 3.49Å; V97-L101 HydrophobicContact CG1-CG 4.19Å; V97-L101 WeakPolarHBondContact O-CB 3.26Å; V97-L101 VanDerWaalsContact O-CG 3.26Å; V97-L101 WeakPolarHBondContact O-CG 3.35Å; V97-L101 PolarHBondContact O-N 3.07Å
98	S	60.7	Low	64.5	Low	15 Å²	15	80 Å²	80	11%	0.105	41%	0.409	C	S	.	.	H	α-helix	trans	-59.8	-42.1	173.3	166	0	0	0	0	112.4	A69 V94 T95 A96 L101 R102	A69-S98 WeakPolarHBondContact CB-OG 3.46Å; V94-S98 VanDerWaalsContact O-CB 3.31Å; V94-S98 WeakPolarHBondContact O-CB 3.49Å; V94-S98 PolarHBondContact O-N 3.16Å; T95-S98 WeakPolarHBondContact O-CB 3.29Å; T95-S98 PolarHBondContact O-N 3.34Å; A96-S98 VanDerWaalsContact C-N 3.3Å; A96-S98 PolarHBondContact O-N 3.46Å; S98-L101 PolarHBondContact O-N 3.24Å; S98-R102 WeakPolarHBondContact O-CB 3.33Å; S98-R102 PolarHBondContact O-N 3.3Å
99	H	62.4	Low	64.1	Low	112 Å²	112	80.1 Å²	80.1	52%	0.519	41%	0.408	S	S	.	.	H	α-helix	trans	-62.8	-46.1	175.6	-77.4	-79.4	0	0	0	112.3	T95 A96 V97 R102	T95-H99 PolarHBondContact O-CD2 3.3Å; T95-H99 PolarHBondContact O-N 3.16Å; A96-H99 WeakPolarHBondContact O-CB 3.09Å; A96-H99 PolarHBondContact O-N 3.27Å; V97-H99 PolarHBondContact O-N 2.94Å; H99-R102 PolarHBondContact CE1-NH1 3.49Å; H99-R102 PolarHBondContact ND1-NH1 2.76Å; H99-R102 PolarHBondContact O-N 2.95Å
100	Y	65.5	Low	63.9	Low	167 Å²	167	83.8 Å²	83.8	66%	0.655	43%	0.429	S	S	*	.	H	α-helix	trans	-61.3	-46.5	176.7	-70.1	-61.8	0	0	0	112.1	A96 V97 R102 A103	A96-Y100 HydrophobicContact CB-CE2 4.39Å; A96-Y100 WeakPolarHBondContact O-CD2 3.39Å; A96-Y100 PolarHBondContact O-N 2.85Å; V97-Y100 PolarHBondContact O-N 3.46Å; Y100-R102 VanDerWaalsContact C-N 3.33Å; Y100-R102 PolarHBondContact O-N 3.45Å; Y100-A103 VanDerWaalsContact O-CB 3.23Å; Y100-A103 WeakPolarHBondContact O-CB 3.46Å; Y100-A103 PolarHBondContact O-N 3.41Å; Y100-A103 VanDerWaalsContact O-N 3.13Å
101	L	63.4	Low	63.7	Low	57 Å²	57	84 Å²	84	30%	0.298	43%	0.427	S	S	.	.	H	α-helix	trans	-74.1	-23.9	-177.8	-67.3	173	0	0	0	112.6	Y65 V97 S98 A103 L104	Y65-L101 HydrophobicContact CE1-CB 3.67Å; Y65-L101 HydrophobicContact CE2-CB 3.71Å; Y65-L101 HydrophobicContact CE2-CD1 3.86Å; Y65-L101 HydrophobicContact CE2-CG 4.27Å; Y65-L101 WeakPolarHBondContact OH-CB 3.35Å; Y65-L101 WeakPolarHBondContact OH-CD1 3.18Å; Y65-L101 WeakPolarHBondContact OH-CG 3.17Å; V97-L101 HydrophobicContact CG1-CD1 3.49Å; V97-L101 VanDerWaalsContact CG1-CD1 3.49Å; V97-L101 HydrophobicContact CG1-CG 4.19Å; V97-L101 WeakPolarHBondContact O-CB 3.26Å; V97-L101 VanDerWaalsContact O-CG 3.26Å; V97-L101 WeakPolarHBondContact O-CG 3.35Å; V97-L101 PolarHBondContact O-N 3.07Å; S98-L101 PolarHBondContact O-N 3.24Å; L101-A103 PolarHBondContact O-N 3.12Å; L101-L104 HydrophobicContact CD2-CD1 3.49Å; L101-L104 VanDerWaalsContact CD2-CD1 3.49Å; L101-L104 HydrophobicContact CD2-CG 4.41Å; L101-L104 WeakPolarHBondContact O-CA 3.32Å; L101-L104 VanDerWaalsContact O-CB 3.24Å; L101-L104 WeakPolarHBondContact O-CB 3.32Å; L101-L104 PolarHBondContact O-N 3.2Å
102	R	62.2	Low	63.8	Low	103 Å²	103	83.8 Å²	83.8	39%	0.389	42%	0.424	S	S	.	.	H	α-helix	trans	-60	-31.4	168.8	-170.4	-178.7	-65	111.7	-6.5	111.5	Y66 S98 H99 Y100 L104 A105	Y66-R102 HydrophobicContact CE1-CG 4.18Å; S98-R102 WeakPolarHBondContact O-CB 3.33Å; S98-R102 PolarHBondContact O-N 3.3Å; H99-R102 PolarHBondContact CE1-NH1 3.49Å; H99-R102 PolarHBondContact ND1-NH1 2.76Å; H99-R102 PolarHBondContact O-N 2.95Å; Y100-R102 VanDerWaalsContact C-N 3.33Å; Y100-R102 PolarHBondContact O-N 3.45Å; R102-L104 PolarHBondContact O-N 3.21Å; R102-A105 VanDerWaalsContact O-CB 3.28Å; R102-A105 WeakPolarHBondContact O-CB 3.35Å; R102-A105 PolarHBondContact O-N 3.31Å; R102-A105 VanDerWaalsContact O-N 3.15Å
103	A	63.4	Low	64.1	Low	30 Å²	30	78.5 Å²	78.5	25%	0.248	40%	0.401	C	S	.	.	H	α-helix	trans	-63.8	-26.5	173.1	0	0	0	0	0	112.3	Y100 L101 A105 K106 L228	Y100-A103 VanDerWaalsContact O-CB 3.23Å; Y100-A103 WeakPolarHBondContact O-CB 3.46Å; Y100-A103 PolarHBondContact O-N 3.41Å; Y100-A103 VanDerWaalsContact O-N 3.13Å; L101-A103 PolarHBondContact O-N 3.12Å; A103-A105 VanDerWaalsContact C-N 3.26Å; A103-A105 PolarHBondContact O-N 3.37Å; A103-K106 PolarHBondContact O-N 2.8Å; A103-L228 HydrophobicContact CB-CD2 4.44Å
104	L	62.4	Low	64.8	Low	54 Å²	54	77.4 Å²	77.4	28%	0.283	40%	0.396	S	S	.	.	H	α-helix	trans	-70.7	-20.5	176.3	-58.9	-178.4	0	0	0	113.2	L101 R102 K106 F107 F109	L101-L104 HydrophobicContact CD2-CD1 3.49Å; L101-L104 VanDerWaalsContact CD2-CD1 3.49Å; L101-L104 HydrophobicContact CD2-CG 4.41Å; L101-L104 WeakPolarHBondContact O-CA 3.32Å; L101-L104 VanDerWaalsContact O-CB 3.24Å; L101-L104 WeakPolarHBondContact O-CB 3.32Å; L101-L104 PolarHBondContact O-N 3.2Å; R102-L104 PolarHBondContact O-N 3.21Å; L104-K106 PolarHBondContact O-N 3.45Å; L104-K106 VanDerWaalsContact O-N 3.08Å; L104-F107 HydrophobicContact CD2-CD2 4.46Å; L104-F107 PolarHBondContact O-N 3.13Å; L104-F109 HydrophobicContact CB-CE2 4.33Å; L104-F109 HydrophobicContact CD2-CZ 4.46Å
105	A	62.1	Low	65.4	Low	61 Å²	61	77.5 Å²	77.5	50%	0.504	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.3	177.3	0	0	0	0	0	113.1	R102 A103 F107	R102-A105 VanDerWaalsContact O-CB 3.28Å; R102-A105 WeakPolarHBondContact O-CB 3.35Å; R102-A105 PolarHBondContact O-N 3.31Å; R102-A105 VanDerWaalsContact O-N 3.15Å; A103-A105 VanDerWaalsContact C-N 3.26Å; A103-A105 PolarHBondContact O-N 3.37Å; A105-F107 VanDerWaalsContact C-N 3.25Å; A105-F107 PolarHBondContact O-N 3.21Å
106	K	63.3	Low	65.9	Low	186 Å²	186	78.3 Å²	78.3	81%	0.809	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-16	173.5	-62.6	-179	180	178.9	0	113.1	A103 L104	A103-K106 PolarHBondContact O-N 2.8Å; L104-K106 PolarHBondContact O-N 3.45Å; L104-K106 VanDerWaalsContact O-N 3.08Å
107	F	61.9	Low	65.9	Low	68 Å²	68	83.1 Å²	83.1	30%	0.298	41%	0.412	S	S	.	.	S	Bend	trans	-106	135.7	-176.1	-56.5	-86.2	0	0	0	111.3	L104 A105 F109 L223 L227	L104-F107 HydrophobicContact CD2-CD2 4.46Å; L104-F107 PolarHBondContact O-N 3.13Å; A105-F107 VanDerWaalsContact C-N 3.25Å; A105-F107 PolarHBondContact O-N 3.21Å; F107-F109 HydrophobicContact CB-CD2 4.35Å; F107-F109 HydrophobicContact CB-CE1 4.38Å; F107-F109 HydrophobicContact CB-CE2 3.74Å; F107-F109 HydrophobicContact CB-CZ 3.75Å; F107-F109 HydrophobicContact CG-CZ 4.41Å; F107-L223 HydrophobicContact CE1-CD2 4.23Å; F107-L227 HydrophobicContact CE1-CD1 3.64Å; F107-L227 HydrophobicContact CZ-CD1 3.63Å
108	K	63.6	Low	66.3	Low	199 Å²	199	81.3 Å²	81.3	87%	0.865	40%	0.401	S	S	*	.			trans	-90.4	111.3	169.3	-173.6	176.2	-178.1	177.3	0	109.1
109	F	59.1	Low	66.9	Low	44 Å²	44	82.2 Å²	82.2	19%	0.193	40%	0.404	C	S	.	.			trans	-94.5	141.3	175.7	-59	-85.8	0	0	0	112	L104 F107 F111	L104-F109 HydrophobicContact CB-CE2 4.33Å; L104-F109 HydrophobicContact CD2-CZ 4.46Å; F107-F109 HydrophobicContact CB-CD2 4.35Å; F107-F109 HydrophobicContact CB-CE1 4.38Å; F107-F109 HydrophobicContact CB-CE2 3.74Å; F107-F109 HydrophobicContact CB-CZ 3.75Å; F107-F109 HydrophobicContact CG-CZ 4.41Å; F109-F111 HydrophobicContact CB-CD2 3.93Å; F109-F111 HydrophobicContact CB-CE1 4.25Å; F109-F111 HydrophobicContact CB-CE2 3.12Å; F109-F111 HydrophobicContact CB-CZ 3.34Å; F109-F111 HydrophobicContact CD1-CE1 4.32Å; F109-F111 HydrophobicContact CD1-CE2 4.3Å; F109-F111 AromaticContact CD1-CZ 3.63Å; F109-F111 HydrophobicContact CD1-CZ 3.63Å; F109-F111 HydrophobicContact CD2-CZ 4.48Å; F109-F111 AromaticContact CG-CE2 3.78Å; F109-F111 HydrophobicContact CG-CE2 3.78Å; F109-F111 AromaticContact CG-CZ 3.58Å; F109-F111 HydrophobicContact CG-CZ 3.58Å
110	T	61.1	Low	67.1	Low	110 Å²	110	82.2 Å²	82.2	68%	0.675	41%	0.406	S	S	*	.			trans	-122.9	106.6	171.8	50.3	0	0	0	0	109.1	R216	T110-R216 PolarHBondContact O-NH1 3.5Å
111	F	66.3	Low	67	Low	69 Å²	69	80.2 Å²	80.2	30%	0.303	40%	0.397	S	S	.	.			trans	-104.5	148.4	-176.1	-60.6	-71	0	0	0	112.5	C57 S60 F109 L113	C57-F111 HydrophobicContact CB-CB 3.93Å; C57-F111 HydrophobicContact CB-CD2 3.65Å; C57-F111 HydrophobicContact CB-CE2 4.25Å; C57-F111 HydrophobicContact CB-CG 3.78Å; C57-F111 WeakPolarHBondContact O-CD2 3.08Å; S60-F111 WeakPolarHBondContact OG-CE2 3.45Å; F109-F111 HydrophobicContact CB-CD2 3.93Å; F109-F111 HydrophobicContact CB-CE1 4.25Å; F109-F111 HydrophobicContact CB-CE2 3.12Å; F109-F111 HydrophobicContact CB-CZ 3.34Å; F109-F111 HydrophobicContact CD1-CE1 4.32Å; F109-F111 HydrophobicContact CD1-CE2 4.3Å; F109-F111 AromaticContact CD1-CZ 3.63Å; F109-F111 HydrophobicContact CD1-CZ 3.63Å; F109-F111 HydrophobicContact CD2-CZ 4.48Å; F109-F111 AromaticContact CG-CE2 3.78Å; F109-F111 HydrophobicContact CG-CE2 3.78Å; F109-F111 AromaticContact CG-CZ 3.58Å; F109-F111 HydrophobicContact CG-CZ 3.58Å; F111-L113 HydrophobicContact CB-CD2 3.81Å; F111-L113 HydrophobicContact CB-CG 4.44Å; F111-L113 PolarHBondContact O-N 3.28Å
112	P	68.1	Low	67.1	Low	58 Å²	58	79.1 Å²	79.1	38%	0.377	39%	0.393	S	S	.	.			trans	-86.2	88	173.4	33.7	-16.1	0	0	0	107.1	N114 R216	P112-N114 PolarHBondContact O-N 2.95Å; P112-R216 VanDerWaalsContact CD-CZ 3.41Å; P112-R216 VanDerWaalsContact CG-CZ 3.41Å
113	L	74.8	Confident	66.6	Low	46 Å²	46	76.2 Å²	76.2	24%	0.241	39%	0.388	C	S	.	.			trans	-68.7	-21.7	-168.9	-60.4	174.1	0	0	0	113.1	L42 V54 C57 M58 F111	L42-L113 HydrophobicContact CD1-CB 4.49Å; L42-L113 WeakPolarHBondContact CD1-O 2.79Å; V54-L113 HydrophobicContact CG1-CB 4.31Å; V54-L113 HydrophobicContact CG1-CD2 4.25Å; V54-L113 WeakPolarHBondContact CG2-O 3.43Å; C57-L113 HydrophobicContact CB-CD2 3.51Å; M58-L113 HydrophobicContact CE-CD1 3.7Å; M58-L113 HydrophobicContact CG-CD1 3.67Å; M58-L113 HydrophobicContact CG-CD2 4.09Å; F111-L113 HydrophobicContact CB-CD2 3.81Å; F111-L113 HydrophobicContact CB-CG 4.44Å; F111-L113 PolarHBondContact O-N 3.28Å
114	N	82.6	Confident	66	Low	59 Å²	59	76 Å²	76	32%	0.316	39%	0.385	S	S	.	.	S	Bend	trans	-106.6	69.6	-178.7	-163.1	20.3	0	0	0	111.9	L42 N43 Q44 P112	L42-N114 HydrophobicContact CD2-CB 3.76Å; N43-N114 PolarHBondContact N-OD1 2.94Å; N43-N114 PolarHBondContact OD1-ND2 3.37Å; N43-N114 PolarHBondContact OD1-OD1 3.12Å; Q44-N114 WeakPolarHBondContact CB-OD1 3.46Å; Q44-N114 PolarHBondContact N-OD1 2.9Å; Q44-N114 PolarHBondContact NE2-O 2.82Å; P112-N114 PolarHBondContact O-N 2.95Å
115	S	73.9	Confident	65.7	Low	22 Å²	22	76.4 Å²	76.4	15%	0.154	39%	0.39	C	S	.	.			trans	-135.9	131.3	-177.9	179	0	0	0	0	111.6	I45 F117 L118	I45-S115 VanDerWaalsContact CD1-O 3.31Å; I45-S115 WeakPolarHBondContact CD1-O 3.42Å; S115-F117 PolarHBondContact O-N 3.47Å; S115-F117 VanDerWaalsContact O-N 3.16Å; S115-F117 WeakPolarHBondContact OG-CD2 3.35Å; S115-L118 WeakPolarHBondContact O-CB 3.44Å; S115-L118 PolarHBondContact O-N 2.91Å
116	N	76.1	Confident	65.3	Low	91 Å²	91	76.8 Å²	76.8	49%	0.487	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-56.8	-27.8	176.8	65.1	-13.7	0	0	0	113.6	L118 N119	N116-L118 PolarHBondContact O-N 3.36Å; N116-L118 VanDerWaalsContact O-N 3.12Å; N116-N119 WeakPolarHBondContact O-CB 3.35Å; N116-N119 PolarHBondContact O-N 2.92Å; N116-N119 PolarHBondContact O-ND2 3.35Å
117	F	67.7	Low	64.8	Low	141 Å²	141	70 Å²	70	62%	0.618	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-59.8	-18.6	175.1	-70.9	-73.1	0	0	0	114	R53 S115 N119	R53-F117 PolarHBondContact NH1-O 2.96Å; S115-F117 PolarHBondContact O-N 3.47Å; S115-F117 VanDerWaalsContact O-N 3.16Å; S115-F117 WeakPolarHBondContact OG-CD2 3.35Å; F117-N119 VanDerWaalsContact C-N 3.31Å
118	L	71.2	Confident	64.2	Low	16 Å²	16	68.1 Å²	68.1	8%	0.084	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-77.4	-17.2	175.4	-65.1	174.9	0	0	0	112.3	I45 G50 R53 V54 S115 N116 M120	I45-L118 HydrophobicContact CD1-CB 3.8Å; I45-L118 HydrophobicContact CD1-CD1 4.13Å; G50-L118 WeakPolarHBondContact CA-O 3.42Å; G50-L118 PolarHBondContact N-O 3.35Å; R53-L118 HydrophobicContact CB-CD2 4.31Å; R53-L118 WeakPolarHBondContact CD-O 3.24Å; R53-L118 PolarHBondContact NH1-O 3.06Å; V54-L118 HydrophobicContact CG2-CD1 3.62Å; S115-L118 WeakPolarHBondContact O-CB 3.44Å; S115-L118 PolarHBondContact O-N 2.91Å; N116-L118 PolarHBondContact O-N 3.36Å; N116-L118 VanDerWaalsContact O-N 3.12Å; L118-M120 PolarHBondContact O-N 3.22Å; L118-M120 VanDerWaalsContact O-N 3.12Å
119	N	72.9	Confident	63.6	Low	33 Å²	33	60.2 Å²	60.2	18%	0.176	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-72.1	-4	-174.7	-71	-53.2	0	0	0	116	Q44 K46 S47 N116 F117	Q44-N119 PolarHBondContact O-ND2 3.38Å; K46-N119 PolarHBondContact N-OD1 2.87Å; S47-N119 PolarHBondContact N-OD1 3.48Å; S47-N119 WeakPolarHBondContact OG-CA 3.31Å; S47-N119 VanDerWaalsContact OG-CB 3.27Å; S47-N119 WeakPolarHBondContact OG-CB 3.23Å; S47-N119 PolarHBondContact OG-O 3.06Å; S47-N119 PolarHBondContact OG-OD1 3.06Å; N116-N119 WeakPolarHBondContact O-CB 3.35Å; N116-N119 PolarHBondContact O-N 2.92Å; N116-N119 PolarHBondContact O-ND2 3.35Å; F117-N119 VanDerWaalsContact C-N 3.31Å
120	M	67.3	Low	63.2	Low	113 Å²	113	60.2 Å²	60.2	56%	0.557	33%	0.33	S	S	*	.	S	Bend	trans	-137.4	145	-180	65.5	-166.6	-46.4	0	0	110.6	R53 L118 T122	R53-M120 PolarHBondContact NH1-O 2.82Å; L118-M120 PolarHBondContact O-N 3.22Å; L118-M120 VanDerWaalsContact O-N 3.12Å; M120-T122 PolarHBondContact O-N 3.15Å
121	W	64.4	Low	62.7	Low	125 Å²	125	63.2 Å²	63.2	47%	0.473	33%	0.33	S	S	.	.			trans	-75.1	122.4	166	-68.7	113.4	0	0	0	108	V49 R53 I56	V49-W121 HydrophobicContact CG1-CD2 4.12Å; V49-W121 HydrophobicContact CG1-CG 3.89Å; R53-W121 HydrophobicContact CG-CD2 4.41Å; R53-W121 HydrophobicContact CG-CE3 4.1Å; R53-W121 HydrophobicContact CG-CH2 3.41Å; R53-W121 VanDerWaalsContact CG-CH2 3.41Å; R53-W121 HydrophobicContact CG-CZ2 3.74Å; R53-W121 HydrophobicContact CG-CZ3 3.61Å; I56-W121 HydrophobicContact CD1-CH2 4.42Å
122	T	64	Low	62	Low	33 Å²	33	62.1 Å²	62.1	20%	0.202	33%	0.327	C	S	.	.			trans	-81	146	170.1	57.2	0	0	0	0	108.7	M120 S124 P125 R217	M120-T122 PolarHBondContact O-N 3.15Å; T122-S124 PolarHBondContact O-N 3.42Å; T122-S124 VanDerWaalsContact O-N 3.11Å; T122-P125 WeakPolarHBondContact O-CD 3.28Å; T122-R217 VanDerWaalsContact CG2-NH2 3.32Å; T122-R217 PolarHBondContact OG1-NH2 3.44Å
123	P	52.2	Low	61.1	Low	43 Å²	43	65.6 Å²	65.6	28%	0.279	34%	0.343	S	S	.	.	S	Bend	trans	-66.5	-13.4	177.8	27.7	-35	0	0	0	112.7	L126 R127 L132 T138	P123-L126 PolarHBondContact O-N 2.82Å; P123-R127 PolarHBondContact O-N 2.89Å; P123-L132 HydrophobicContact CB-CD1 3.6Å; P123-T138 HydrophobicContact CG-CG2 4.27Å
124	S	50.7	Low	59.8	Low	26 Å²	26	65.6 Å²	65.6	18%	0.182	35%	0.345	C	S	.	.	H	α-helix	trans	-49.8	-47.9	-175.5	-45.2	0	0	0	0	114.6	T122 L126 R127 L128 R217	T122-S124 PolarHBondContact O-N 3.42Å; T122-S124 VanDerWaalsContact O-N 3.11Å; S124-L126 VanDerWaalsContact C-N 3.33Å; S124-L126 PolarHBondContact O-N 2.99Å; S124-R127 PolarHBondContact O-N 2.95Å; S124-L128 VanDerWaalsContact O-CB 3.29Å; S124-L128 WeakPolarHBondContact O-CB 3.44Å; S124-L128 WeakPolarHBondContact O-CD1 3.24Å; S124-L128 WeakPolarHBondContact O-CG 3.34Å; S124-L128 PolarHBondContact O-N 3.31Å; S124-R217 PolarHBondContact OG-NH1 3.07Å; S124-R217 VanDerWaalsContact OG-NH1 3.09Å
125	P	56.7	Low	57.7	Low	61 Å²	61	71.4 Å²	71.4	40%	0.396	37%	0.367	S	S	.	.	H	α-helix	trans	-64.2	-35.3	178.9	-20.8	35.5	0	0	0	113.2	T122 A129	T122-P125 WeakPolarHBondContact O-CD 3.28Å; P125-A129 VanDerWaalsContact O-CB 3.29Å; P125-A129 WeakPolarHBondContact O-CB 3.24Å; P125-A129 PolarHBondContact O-N 3.26Å
126	L	53.4	Low	55.7	Low	70 Å²	70	77.7 Å²	77.7	37%	0.366	39%	0.394	S	S	.	.	H	α-helix	trans	-75.2	-41.5	178	-66	176.5	0	0	0	111.7	P123 S124 L128 A129 G130 Y131 L132	P123-L126 PolarHBondContact O-N 2.82Å; S124-L126 VanDerWaalsContact C-N 3.33Å; S124-L126 PolarHBondContact O-N 2.99Å; L126-L128 VanDerWaalsContact C-N 3.27Å; L126-L128 PolarHBondContact O-N 3.14Å; L126-A129 CarbonylContact O-C 3.49Å; L126-A129 PolarHBondContact O-N 2.9Å; L126-G130 PolarHBondContact O-N 3.47Å; L126-Y131 HydrophobicContact CD2-CD2 4.48Å; L126-Y131 PolarHBondContact O-N 2.98Å; L126-L132 HydrophobicContact CB-CD1 3.63Å; L126-L132 HydrophobicContact CB-CG 3.77Å; L126-L132 HydrophobicContact CD1-CD1 4.06Å; L126-L132 HydrophobicContact CD1-CG 4.39Å; L126-L132 PolarHBondContact O-N 2.87Å
127	R	52.5	Low	53.4	Low	42 Å²	42	79 Å²	79	16%	0.158	41%	0.408	C	S	.	.	H	α-helix	trans	-59.9	-39.9	171.5	-75.3	-176.1	-175.6	151.4	1.7	111.6	P123 S124 G130 L132 Q136 T138	P123-R127 PolarHBondContact O-N 2.89Å; S124-R127 PolarHBondContact O-N 2.95Å; R127-G130 PolarHBondContact O-N 3.17Å; R127-L132 HydrophobicContact CB-CB 4.48Å; R127-L132 HydrophobicContact CG-CB 3.64Å; R127-L132 HydrophobicContact CG-CD1 4.17Å; R127-Q136 PolarHBondContact NH2-O 3.34Å; R127-T138 PolarHBondContact NH1-OG1 2.85Å; R127-T138 PolarHBondContact NH2-OG1 3.39Å
128	L	48.6	Very low	51.5	Low	29 Å²	29	76.5 Å²	76.5	15%	0.152	40%	0.404	C	S	.	.	H	α-helix	trans	-67.3	-49.2	176.3	-73.1	167.6	0	0	0	110.3	S124 L126 G130 Y221 F239	S124-L128 VanDerWaalsContact O-CB 3.29Å; S124-L128 WeakPolarHBondContact O-CB 3.44Å; S124-L128 WeakPolarHBondContact O-CD1 3.24Å; S124-L128 WeakPolarHBondContact O-CG 3.34Å; S124-L128 PolarHBondContact O-N 3.31Å; L126-L128 VanDerWaalsContact C-N 3.27Å; L126-L128 PolarHBondContact O-N 3.14Å; L128-G130 PolarHBondContact O-N 2.92Å; L128-Y221 HydrophobicContact CD1-CD1 4.25Å; L128-Y221 HydrophobicContact CD1-CD2 4.38Å; L128-Y221 HydrophobicContact CD1-CE1 3.49Å; L128-Y221 VanDerWaalsContact CD1-CE1 3.49Å; L128-Y221 HydrophobicContact CD1-CE2 3.64Å; L128-Y221 WeakPolarHBondContact CD1-OH 3.45Å; L128-F239 HydrophobicContact CB-CD1 4.2Å; L128-F239 HydrophobicContact CB-CE1 4.11Å; L128-F239 HydrophobicContact CD2-CD1 4.45Å; L128-F239 WeakPolarHBondContact O-CD1 3.45Å; L128-F239 WeakPolarHBondContact O-CE1 3.2Å
129	A	52.1	Low	49.3	Very low	34 Å²	34	80 Å²	80	28%	0.281	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	12.7	177.7	0	0	0	0	0	114.5	P125 L126 Y131	P125-A129 VanDerWaalsContact O-CB 3.29Å; P125-A129 WeakPolarHBondContact O-CB 3.24Å; P125-A129 PolarHBondContact O-N 3.26Å; L126-A129 CarbonylContact O-C 3.49Å; L126-A129 PolarHBondContact O-N 2.9Å; A129-Y131 VanDerWaalsContact C-N 3.26Å; A129-Y131 HydrophobicContact CB-CD2 3.54Å; A129-Y131 HydrophobicContact CB-CE2 3.74Å; A129-Y131 WeakPolarHBondContact O-CD2 3.37Å; A129-Y131 WeakPolarHBondContact O-CE2 3.47Å; A129-Y131 PolarHBondContact O-N 3.32Å
130	G	50.4	Low	47	Very low	44 Å²	44	85.9 Å²	85.9	45%	0.454	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	6.6	176.4	0	0	0	0	0	115.6	L126 R127 L128	L126-G130 PolarHBondContact O-N 3.47Å; R127-G130 PolarHBondContact O-N 3.17Å; L128-G130 PolarHBondContact O-N 2.92Å
131	Y	51.2	Low	44.9	Very low	172 Å²	172	85.7 Å²	85.7	68%	0.675	46%	0.464	S	S	*	.			trans	-87.5	-10.3	-176	-68.8	-76.2	0	0	0	114.6	L126 A129	L126-Y131 HydrophobicContact CD2-CD2 4.48Å; L126-Y131 PolarHBondContact O-N 2.98Å; A129-Y131 VanDerWaalsContact C-N 3.26Å; A129-Y131 HydrophobicContact CB-CD2 3.54Å; A129-Y131 HydrophobicContact CB-CE2 3.74Å; A129-Y131 WeakPolarHBondContact O-CD2 3.37Å; A129-Y131 WeakPolarHBondContact O-CE2 3.47Å; A129-Y131 PolarHBondContact O-N 3.32Å
132	L	50.6	Low	43	Very low	46 Å²	46	86.2 Å²	86.2	24%	0.241	47%	0.474	C	S	.	.	S	Bend	trans	-126.7	127.7	175.9	-72	176.8	0	0	0	109.9	Y17 P123 L126 R127	Y17-L132 HydrophobicContact CE2-CD2 4.45Å; P123-L132 HydrophobicContact CB-CD1 3.6Å; L126-L132 HydrophobicContact CB-CD1 3.63Å; L126-L132 HydrophobicContact CB-CG 3.77Å; L126-L132 HydrophobicContact CD1-CD1 4.06Å; L126-L132 HydrophobicContact CD1-CG 4.39Å; L126-L132 PolarHBondContact O-N 2.87Å; R127-L132 HydrophobicContact CB-CB 4.48Å; R127-L132 HydrophobicContact CG-CB 3.64Å; R127-L132 HydrophobicContact CG-CD1 4.17Å
133	D	49.5	Very low	41.1	Very low	131 Å²	131	90.4 Å²	90.4	70%	0.701	50%	0.499	S	S	*	.			trans	-64.4	135.6	-179.7	-150.2	-7.6	0	0	0	111	K135	D133-K135 VanDerWaalsContact C-N 3.25Å; D133-K135 PolarHBondContact O-N 3.45Å
134	T	47.4	Very low	39.8	Very low	47 Å²	47	99.2 Å²	99.2	29%	0.288	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-5.4	-168.1	50.4	0	0	0	0	113.9	Q136 P240 Y241	T134-Q136 PolarHBondContact O-N 2.94Å; T134-P240 HydrophobicContact CG2-CB 4.1Å; T134-P240 HydrophobicContact CG2-CG 3.93Å; T134-Y241 HydrophobicContact CG2-CE2 4.21Å
135	K	40	Very low	38.5	Very low	181 Å²	181	107.2 Å²	107.2	79%	0.787	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	4.7	-171	-66.2	-173.6	178.4	-179.9	0	116	D133	D133-K135 VanDerWaalsContact C-N 3.25Å; D133-K135 PolarHBondContact O-N 3.45Å
136	Q	29.9	Very low	37.1	Very low	154 Å²	154	108.2 Å²	108.2	72%	0.72	58%	0.582	S	S	*	*			trans	-110	112.6	175	-75.4	-171.8	-3.8	0	0	111.8	R127 T134 T138	R127-Q136 PolarHBondContact NH2-O 3.34Å; T134-Q136 PolarHBondContact O-N 2.94Å; Q136-T138 PolarHBondContact O-N 3.42Å
137	P	27.8	Very low	35.7	Very low	119 Å²	119	111.1 Å²	111.1	77%	0.773	61%	0.609	S	S	*	*			trans	-58.5	126.5	164.9	24.3	-29.6	0	0	0	107.5	S139	P137-S139 PolarHBondContact O-N 2.85Å
138	T	28.6	Very low	34.5	Very low	88 Å²	88	112.5 Å²	112.5	54%	0.54	64%	0.635	S	S	.	*			trans	-68.7	82	173.1	-6.5	0	0	0	0	107.5	P123 R127 Q136 M140	P123-T138 HydrophobicContact CG-CG2 4.27Å; R127-T138 PolarHBondContact NH1-OG1 2.85Å; R127-T138 PolarHBondContact NH2-OG1 3.39Å; Q136-T138 PolarHBondContact O-N 3.42Å; T138-M140 PolarHBondContact O-N 2.9Å; T138-M140 VanDerWaalsContact O-N 3.14Å
139	S	24.2	Very low	33.5	Very low	89 Å²	89	118.6 Å²	118.6	62%	0.622	67%	0.668	S	S	*	*			trans	-64.4	110.5	156.7	-160	0	0	0	0	105.3	P137 T141	P137-S139 PolarHBondContact O-N 2.85Å; S139-T141 PolarHBondContact O-N 2.92Å
140	M	25.8	Very low	32.2	Very low	156 Å²	156	125.9 Å²	125.9	77%	0.768	70%	0.697	S	S	*	*			trans	-65.3	85.6	162.3	-84.3	-179.7	25.4	0	0	106.5	T138 I142	T138-M140 PolarHBondContact O-N 2.9Å; T138-M140 VanDerWaalsContact O-N 3.14Å; M140-I142 VanDerWaalsContact C-N 3.32Å; M140-I142 PolarHBondContact O-N 3.26Å
141	T	24	Very low	31.2	Very low	110 Å²	110	127.4 Å²	127.4	68%	0.675	71%	0.712	S	S	*	*			trans	-65.6	98.5	173.8	-50	0	0	0	0	107.5	S139 V143	S139-T141 PolarHBondContact O-N 2.92Å; T141-V143 PolarHBondContact O-N 3.42Å; T141-V143 VanDerWaalsContact O-N 3.15Å
142	I	24.3	Very low	30.1	Very low	136 Å²	136	124.8 Å²	124.8	70%	0.697	72%	0.719	S	S	*	*			trans	-58.1	112	153.5	-64.2	174.1	0	0	0	105.1	M140 R144	M140-I142 VanDerWaalsContact C-N 3.32Å; M140-I142 PolarHBondContact O-N 3.26Å; I142-R144 PolarHBondContact O-N 3.3Å
143	V	23.1	Very low	29.2	Very low	120 Å²	120	128.2 Å²	128.2	73%	0.727	74%	0.742	S	S	*	*			trans	-53.9	109.6	175.6	176.9	0	0	0	0	108.8	T141	T141-V143 PolarHBondContact O-N 3.42Å; T141-V143 VanDerWaalsContact O-N 3.15Å
144	R	24.8	Very low	28.2	Very low	229 Å²	229	127.9 Å²	127.9	86%	0.864	74%	0.74	S	S	*	*			trans	-129.2	120.8	157.7	-75.8	-174.4	173.8	176.2	-1.9	107	I142	I142-R144 PolarHBondContact O-N 3.3Å
145	H	24	Very low	27.3	Very low	194 Å²	194	134.6 Å²	134.6	90%	0.898	77%	0.768	S	S	*	*			trans	-55.2	141.4	-178.4	-78.5	-77.5	0	0	0	113.5
146	G	26.3	Very low	26.6	Very low	81 Å²	81	130 Å²	130	84%	0.835	77%	0.772	S	S	*	*			trans	160.7	128.8	163.7	0	0	0	0	0	114.6
147	S	25.9	Very low	26.4	Very low	132 Å²	132	127.1 Å²	127.1	92%	0.923	77%	0.768	S	S	*	*			trans	-74.7	156.6	-163.8	-54.9	0	0	0	0	119.4
148	G	26.1	Very low	26.4	Very low	70 Å²	70	129.8 Å²	129.8	72%	0.722	78%	0.775	S	S	*	*				122	112.2	127.7	0	0	0	0	0	121.1
149	N	28.1	Very low	26.1	Very low	158 Å²	158	132.6 Å²	132.6	85%	0.845	79%	0.787	S	S	*	*			trans	59.4	156.3	149.8	-73	8.8	0	0	0	122.4
150	E	25	Very low	26.2	Very low	187 Å²	187	132 Å²	132	87%	0.874	80%	0.795	S	S	*	*			cis	176.5	145.1	-42	-110.2	-169.3	-176.3	0	0	107.4
151	G	29.2	Very low	26.1	Very low	75 Å²	75	130.1 Å²	130.1	77%	0.773	80%	0.797	S	S	*	*			trans	121.5	105	166.4	0	0	0	0	0	115.9
152	S	28	Very low	26	Very low	118 Å²	118	130.2 Å²	130.2	83%	0.825	80%	0.802	S	S	*	*				74.1	122.3	70.1	-154.1	0	0	0	0	113.6
153	V	31.4	Very low	26	Very low	118 Å²	118	131.5 Å²	131.5	72%	0.715	81%	0.809	S	S	*	*				177.8	142.4	76.5	162	0	0	0	0	112.6
154	D	29.1	Very low	25.9	Very low	123 Å²	123	132.6 Å²	132.6	66%	0.658	81%	0.81	S	S	*	*			trans	32.9	130	144.8	-62.8	-38.2	0	0	0	125.3
155	Q	27.1	Very low	25.8	Very low	189 Å²	189	129.5 Å²	129.5	88%	0.883	81%	0.81	S	S	*	*				91.3	133.6	65.7	-74.4	-173.4	58.9	0	0	115.8
156	G	26.8	Very low	25.7	Very low	84 Å²	84	125 Å²	125	87%	0.866	80%	0.8	S	S	*	*			trans	175.4	99.2	168.4	0	0	0	0	0	114.2
157	S	25.3	Very low	25.4	Very low	93 Å²	93	127.3 Å²	127.3	65%	0.65	80%	0.803	S	S	*	*			trans	-90.7	152.5	177.2	170.9	0	0	0	0	111.7	N159	S157-N159 PolarHBondContact OG-OD1 2.85Å
158	L	26.6	Very low	25.1	Very low	175 Å²	175	125.6 Å²	125.6	92%	0.916	80%	0.796	S	S	*	*			trans	-151.9	137	147.4	-90.3	-179.7	0	0	0	112.5
159	N	23.2	Very low	25	Very low	148 Å²	148	130.2 Å²	130.2	79%	0.791	80%	0.801	S	S	*	*			trans	-96.6	162.5	-171.9	-51.1	-32	0	0	0	111.5	S157	S157-N159 PolarHBondContact OG-OD1 2.85Å
160	G	25.5	Very low	24.8	Very low	76 Å²	76	131.3 Å²	131.3	78%	0.784	80%	0.801	S	S	*	*			trans	-170.2	105.8	167.5	0	0	0	0	0	114.2
161	S	24.6	Very low	24.7	Very low	117 Å²	117	131.9 Å²	131.9	82%	0.818	80%	0.804	S	S	*	*			trans	-49.6	134.9	173.6	44.1	0	0	0	0	115.6
162	S	22.6	Very low	24.5	Very low	111 Å²	111	133 Å²	133	78%	0.776	81%	0.805	S	S	*	*				63.8	122.8	91.3	163.4	0	0	0	0	116.1
163	I	23.9	Very low	24.5	Very low	164 Å²	164	136.5 Å²	136.5	84%	0.841	80%	0.802	S	S	*	*			trans	-149.3	133.8	148.8	-97.7	147.3	0	0	0	107.6	L165	I163-L165 HydrophobicContact CG2-CD1 4.49Å
164	D	21.2	Very low	24.3	Very low	142 Å²	142	136.8 Å²	136.8	76%	0.759	80%	0.799	S	S	*	*			trans	-116.3	140.2	179.2	-171.6	10.3	0	0	0	108.3
165	L	22.4	Very low	24.6	Very low	164 Å²	164	132.5 Å²	132.5	86%	0.859	78%	0.776	S	S	*	*			trans	-140.6	115.2	172	-118.6	93.2	0	0	0	108.6	I163	I163-L165 HydrophobicContact CG2-CD1 4.49Å
166	S	21.8	Very low	24.8	Very low	99 Å²	99	126.4 Å²	126.4	69%	0.692	76%	0.755	S	S	*	*			trans	-110	161.3	171.2	51.5	0	0	0	0	110.9
167	C	20.1	Very low	25	Very low	131 Å²	131	129.5 Å²	129.5	89%	0.885	75%	0.747	S	S	*	*			trans	94.3	102	172.1	-66.7	0	0	0	0	117.8
168	A	20.1	Very low	25.3	Very low	95 Å²	95	127.9 Å²	127.9	79%	0.785	73%	0.729	S	S	*	*				170	155.5	103.3	0	0	0	0	0	112.1
169	M	23.3	Very low	25.4	Very low	168 Å²	168	123.3 Å²	123.3	83%	0.828	71%	0.712	S	S	*	*			trans	88.5	94.4	164.5	-46.6	-173.4	72.9	0	0	115.9
170	E	23.6	Very low	25.6	Very low	180 Å²	180	120.7 Å²	120.7	84%	0.841	71%	0.705	S	S	*	*				76.3	112.2	81.2	-75.6	-177.3	167.2	0	0	114.3
171	E	22.8	Very low	25.7	Very low	200 Å²	200	120.6 Å²	120.6	94%	0.935	69%	0.686	S	S	*	*			trans	65.6	67.3	163.2	-58	-171.5	165.7	0	0	119.1
172	A	24.7	Very low	25.9	Very low	97 Å²	97	119.3 Å²	119.3	80%	0.802	68%	0.683	S	S	*	*			trans	-109.9	109.5	161.4	0	0	0	0	0	110.9	D174	A172-D174 PolarHBondContact O-N 3.29Å; A172-D174 VanDerWaalsContact O-N 3.12Å
173	Y	29	Very low	26.1	Very low	192 Å²	192	118.4 Å²	118.4	75%	0.753	67%	0.674	S	S	*	*			trans	-57.6	110.5	169.2	-132.6	-95.9	0	0	0	108.8	I175	Y173-I175 HydrophobicContact CD1-CG1 4.33Å; Y173-I175 PolarHBondContact O-N 3.16Å
174	D	26.2	Very low	26.1	Very low	124 Å²	124	116.3 Å²	116.3	66%	0.663	67%	0.674	S	S	*	*			trans	-76.9	94.2	-178.6	-162.1	-7	0	0	0	110.3	A172 S176	A172-D174 PolarHBondContact O-N 3.29Å; A172-D174 VanDerWaalsContact O-N 3.12Å; D174-S176 VanDerWaalsContact C-N 3.27Å; D174-S176 VanDerWaalsContact OD1-CB 3.26Å; D174-S176 WeakPolarHBondContact OD1-CB 3.35Å; D174-S176 PolarHBondContact OD1-N 2.99Å; D174-S176 PolarHBondContact OD1-OG 3.05Å
175	I	35.1	Very low	26.4	Very low	33 Å²	33	115.5 Å²	115.5	17%	0.169	67%	0.674	C	S	.	*			trans	-86.3	-0.9	179.9	-61.4	173.9	0	0	0	110.9	Y173 E177 M178	Y173-I175 HydrophobicContact CD1-CG1 4.33Å; Y173-I175 PolarHBondContact O-N 3.16Å; I175-E177 PolarHBondContact O-N 2.86Å; I175-E177 VanDerWaalsContact O-N 3.12Å; I175-M178 HydrophobicContact CG2-SD 4.28Å; I175-M178 PolarHBondContact O-N 3.41Å
176	S	31.1	Very low	26.5	Very low	62 Å²	62	119 Å²	119	43%	0.434	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69	-12.8	-170.6	70.6	0	0	0	0	115.1	D174	D174-S176 VanDerWaalsContact C-N 3.27Å; D174-S176 VanDerWaalsContact OD1-CB 3.26Å; D174-S176 WeakPolarHBondContact OD1-CB 3.35Å; D174-S176 PolarHBondContact OD1-N 2.99Å; D174-S176 PolarHBondContact OD1-OG 3.05Å
177	E	31.5	Very low	26.5	Very low	149 Å²	149	122.5 Å²	122.5	70%	0.696	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-3.8	178.7	-71.6	-165.3	142.9	0	0	115.5	I175 S179 S180	I175-E177 PolarHBondContact O-N 2.86Å; I175-E177 VanDerWaalsContact O-N 3.12Å; E177-S179 PolarHBondContact O-N 3.37Å; E177-S179 VanDerWaalsContact O-N 3.1Å; E177-S180 PolarHBondContact O-OG 3.36Å
178	M	31.8	Very low	26.8	Very low	58 Å²	58	122 Å²	122	29%	0.286	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.7	3.7	-172.4	-65.5	-170.6	92.1	0	0	115.9	I175 S180	I175-M178 HydrophobicContact CG2-SD 4.28Å; I175-M178 PolarHBondContact O-N 3.41Å; M178-S180 VanDerWaalsContact C-N 3.33Å; M178-S180 PolarHBondContact O-N 3.16Å
179	S	29.6	Very low	26.8	Very low	79 Å²	79	125.1 Å²	125.1	55%	0.552	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	0	179.9	61	0	0	0	0	115.4	E177 R231	E177-S179 PolarHBondContact O-N 3.37Å; E177-S179 VanDerWaalsContact O-N 3.1Å; S179-R231 PolarHBondContact OG-NH2 2.67Å
180	S	26.5	Very low	26.9	Very low	93 Å²	93	125.5 Å²	125.5	65%	0.65	68%	0.682	S	S	*	*			trans	-107.6	83.2	174	44.8	0	0	0	0	111.3	E177 M178	E177-S180 PolarHBondContact O-OG 3.36Å; M178-S180 VanDerWaalsContact C-N 3.33Å; M178-S180 PolarHBondContact O-N 3.16Å
181	I	28.9	Very low	27	Very low	74 Å²	74	122.1 Å²	122.1	38%	0.379	69%	0.685	S	S	.	*			trans	-128.2	91.1	167.2	-50.2	172.4	0	0	0	108.7	R436	I181-R436 VanDerWaalsContact CG1-NH2 3.26Å
182	A	27.5	Very low	27.1	Very low	91 Å²	91	118 Å²	118	75%	0.752	68%	0.678	S	S	*	*			trans	-96.4	125.7	143.3	0	0	0	0	0	106.4	S184	A182-S184 PolarHBondContact O-N 3.48Å
183	P	26.6	Very low	27.1	Very low	92 Å²	92	118.5 Å²	118.5	60%	0.597	67%	0.673	S	S	*	*			trans	-61.3	135.2	168.5	-11.6	25.9	0	0	0	108.3	T185	P183-T185 PolarHBondContact O-N 2.83Å
184	S	24.6	Very low	26.9	Very low	120 Å²	120	114.7 Å²	114.7	84%	0.839	67%	0.672	S	S	*	*			trans	-55.5	97.4	168.6	174.9	0	0	0	0	109.9	A182	A182-S184 PolarHBondContact O-N 3.48Å
185	T	27.3	Very low	26.8	Very low	124 Å²	124	116.1 Å²	116.1	76%	0.761	68%	0.678	S	S	*	*			trans	-119.5	122.7	168.9	44.2	0	0	0	0	110.1	P183	P183-T185 PolarHBondContact O-N 2.83Å
186	R	24.6	Very low	26.3	Very low	238 Å²	238	120 Å²	120	90%	0.898	70%	0.704	S	S	*	*			trans	-39.6	143.4	168.6	-81.6	173	166.1	165.1	-5.8	112.3	V188	R186-V188 PolarHBondContact O-N 2.89Å; R186-V188 VanDerWaalsContact O-N 3.1Å
187	L	22.4	Very low	25.9	Very low	172 Å²	172	127.1 Å²	127.1	90%	0.901	72%	0.721	S	S	*	*			trans	-34	108.1	165.6	-70.2	159.8	0	0	0	112.2
188	V	24.8	Very low	25.5	Very low	121 Å²	121	124.9 Å²	124.9	73%	0.733	72%	0.722	S	S	*	*			trans	-135.2	111.1	154.3	-174.1	0	0	0	0	106.7	R186 E190	R186-V188 PolarHBondContact O-N 2.89Å; R186-V188 VanDerWaalsContact O-N 3.1Å; V188-E190 PolarHBondContact O-N 3.25Å; V188-E190 VanDerWaalsContact O-N 3.15Å
189	N	22.1	Very low	25.1	Very low	161 Å²	161	129 Å²	129	86%	0.861	74%	0.744	S	S	*	*			trans	-64	100.1	172.8	-82.5	-28.4	0	0	0	109.9
190	E	24.8	Very low	24.8	Very low	176 Å²	176	134.6 Å²	134.6	82%	0.822	76%	0.758	S	S	*	*			trans	-142.2	114.4	158.1	-71.8	-165.5	160.3	0	0	110.9	V188 S192	V188-E190 PolarHBondContact O-N 3.25Å; V188-E190 VanDerWaalsContact O-N 3.15Å; E190-S192 PolarHBondContact O-N 3.45Å
191	A	24.3	Very low	24.7	Very low	108 Å²	108	140 Å²	140	89%	0.893	77%	0.77	S	S	*	*			trans	-66.5	111.5	176.5	0	0	0	0	0	110.4
192	S	25.2	Very low	24.5	Very low	113 Å²	113	139.8 Å²	139.8	79%	0.79	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-81.1	137.8	166.8	-70.5	0	0	0	0	110.5	E190	E190-S192 PolarHBondContact O-N 3.45Å
193	P	24.7	Very low	24.3	Very low	108 Å²	108	144.6 Å²	144.6	70%	0.701	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-72.8	152.9	-175	30	-33.6	0	0	0	111.8	I195	P193-I195 PolarHBondContact O-N 3.39Å
194	P	25.4	Very low	24.2	Very low	113 Å²	113	151.5 Å²	151.5	73%	0.734	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-65.1	131	175.8	26.7	-31.9	0	0	0	110.3	T196	P194-T196 PolarHBondContact O-N 3.12Å
195	I	24.4	Very low	24.3	Very low	153 Å²	153	153.3 Å²	153.3	79%	0.785	81%	0.807	S	S	*	*			trans	-58.4	107.5	173.1	-62	168.8	0	0	0	108.4	P193 W197	P193-I195 PolarHBondContact O-N 3.39Å; I195-W197 PolarHBondContact O-N 2.89Å
196	T	23.4	Very low	24.2	Very low	116 Å²	116	152.5 Å²	152.5	71%	0.712	81%	0.807	S	S	*	*			trans	-81.6	105	176.6	27.1	0	0	0	0	110.4	P194 S198	P194-T196 PolarHBondContact O-N 3.12Å; T196-S198 PolarHBondContact O-N 3.09Å
197	W	23.5	Very low	24.3	Very low	211 Å²	211	147.3 Å²	147.3	80%	0.799	81%	0.807	S	S	*	*			trans	-78.2	93.1	154.8	-70	88.5	0	0	0	108.2	I195 I199 W364	I195-W197 PolarHBondContact O-N 2.89Å; W197-I199 PolarHBondContact O-N 3.44Å; W197-W364 HydrophobicContact CH2-CH2 4.46Å
198	S	22.5	Very low	24.4	Very low	101 Å²	101	142.6 Å²	142.6	71%	0.706	80%	0.8	S	S	*	*			trans	-77.4	93.1	173.4	-67	0	0	0	0	109.9	T196 K200	T196-S198 PolarHBondContact O-N 3.09Å; S198-K200 PolarHBondContact O-N 2.75Å
199	I	25	Very low	24.4	Very low	146 Å²	146	149.1 Å²	149.1	75%	0.749	81%	0.811	S	S	*	*			trans	-78.2	102.9	158.5	-59.7	177.9	0	0	0	106.1	W197 F201	W197-I199 PolarHBondContact O-N 3.44Å; I199-F201 PolarHBondContact O-N 3.5Å
200	K	22.8	Very low	24.5	Very low	196 Å²	196	144.6 Å²	144.6	85%	0.852	80%	0.803	S	S	*	*			trans	-57.2	118.8	171.7	-82.9	-179.1	174.5	178.8	0	108.6	S198 G202	S198-K200 PolarHBondContact O-N 2.75Å; K200-G202 VanDerWaalsContact C-N 3.3Å; K200-G202 PolarHBondContact O-N 3.41Å
201	F	24.1	Very low	24.5	Very low	207 Å²	207	145.5 Å²	145.5	91%	0.908	80%	0.804	S	S	*	*			trans	-70	90.1	165.1	-74.7	-87.5	0	0	0	108	I199 Q203	I199-F201 PolarHBondContact O-N 3.5Å; F201-Q203 PolarHBondContact O-N 2.81Å
202	G	24	Very low	24.6	Very low	69 Å²	69	144.8 Å²	144.8	71%	0.711	79%	0.792	S	S	*	*			trans	-72.8	120.8	169.2	0	0	0	0	0	109.5	K200	K200-G202 VanDerWaalsContact C-N 3.3Å; K200-G202 PolarHBondContact O-N 3.41Å
203	Q	24.8	Very low	24.9	Very low	192 Å²	192	141.8 Å²	141.8	90%	0.897	77%	0.766	S	S	*	*			trans	-54.3	146	167.7	-76.1	177.9	-44.1	0	0	110.3	F201 N205	F201-Q203 PolarHBondContact O-N 2.81Å; Q203-N205 PolarHBondContact O-N 3.35Å
204	R	23.8	Very low	25.3	Very low	237 Å²	237	143.6 Å²	143.6	89%	0.894	77%	0.766	S	S	*	*			trans	-23.7	120.5	171.1	-76.3	174.2	167.3	175.8	-5.4	112.6
205	N	25.6	Very low	25.7	Very low	157 Å²	157	141.6 Å²	141.6	84%	0.84	75%	0.749	S	S	*	*			trans	-147.5	138.8	139.6	-90.7	-23.5	0	0	0	109.1	Q203	Q203-N205 PolarHBondContact O-N 3.35Å
206	S	26.7	Very low	26.5	Very low	108 Å²	108	140.2 Å²	140.2	76%	0.755	73%	0.734	S	S	*	*	S	Bend	trans	-45.3	147.9	178.9	27.1	0	0	0	0	113.3
207	S	26	Very low	27.4	Very low	128 Å²	128	140 Å²	140	90%	0.895	72%	0.72	S	S	*	*	S	Bend	trans	70.1	90.7	175.6	68.1	0	0	0	0	116.5
208	G	24.3	Very low	28.2	Very low	74 Å²	74	131.5 Å²	131.5	76%	0.763	69%	0.69	S	S	*	*			trans	164.4	116.3	170.4	0	0	0	0	0	112.6	G210	G208-G210 PolarHBondContact O-N 3.47Å
209	R	24.7	Very low	28.8	Very low	257 Å²	257	133.5 Å²	133.5	97%	0.97	68%	0.682	S	S	*	*			trans	-57	106.5	-178.4	-62	175	-138.7	-168.5	3.6	110.3
210	G	24.7	Very low	29.5	Very low	66 Å²	66	129.8 Å²	129.8	68%	0.68	67%	0.666	S	S	*	*			trans	-123	108.8	-179.1	0	0	0	0	0	111.1	G208 C212	G208-G210 PolarHBondContact O-N 3.47Å; G210-C212 PolarHBondContact O-N 3.01Å
211	F	25.4	Very low	30.4	Very low	196 Å²	196	124.9 Å²	124.9	86%	0.86	64%	0.643	S	S	*	*			trans	-60.2	115.8	179.5	-75.9	-94.4	0	0	0	111.8
212	C	25.9	Very low	31	Very low	92 Å²	92	116.9 Å²	116.9	62%	0.622	61%	0.609	S	S	*	*			trans	-125.9	85.4	173.4	-158.5	0	0	0	0	109.7	G210 Q214	G210-C212 PolarHBondContact O-N 3.01Å; C212-Q214 PolarHBondContact O-N 3.23Å
213	L	30.9	Very low	31.7	Very low	50 Å²	50	117.3 Å²	117.3	26%	0.262	60%	0.595	S	S	.	*			trans	-60.4	95.6	175.6	-107.6	153.1	0	0	0	111	R219 F292	L213-R219 HydrophobicContact CD1-CG 4.48Å; L213-F292 HydrophobicContact CD1-CE1 4.16Å; L213-F292 HydrophobicContact CD1-CZ 3.98Å; L213-F292 HydrophobicContact CD2-CE1 4.05Å; L213-F292 HydrophobicContact CD2-CE2 3.88Å; L213-F292 HydrophobicContact CD2-CZ 3.26Å; L213-F292 HydrophobicContact CG-CE1 4.41Å; L213-F292 HydrophobicContact CG-CZ 3.73Å
214	Q	33.4	Very low	32.5	Very low	146 Å²	146	113 Å²	113	68%	0.682	57%	0.574	S	S	*	*			trans	-90.7	-8	177.6	-82.2	-166.8	-13.5	0	0	114.4	C212 R216	C212-Q214 PolarHBondContact O-N 3.23Å; Q214-R216 PolarHBondContact O-N 3.33Å
215	N	34.1	Very low	33.1	Very low	71 Å²	71	105.3 Å²	105.3	38%	0.38	55%	0.548	S	S	.	.			trans	-91.4	84.1	172.2	-151.1	-30.4	0	0	0	111.6	R217 I218	N215-R217 PolarHBondContact O-N 3.15Å; N215-I218 PolarHBondContact O-N 2.91Å
216	R	40.1	Very low	33.6	Very low	125 Å²	125	101.3 Å²	101.3	47%	0.472	52%	0.523	S	S	.	.	H	α-helix	trans	-57.3	-18.3	-173	-77.2	172.3	-178.5	-104.7	6.7	115.5	T110 P112 Q214	T110-R216 PolarHBondContact O-NH1 3.5Å; P112-R216 VanDerWaalsContact CD-CZ 3.41Å; P112-R216 VanDerWaalsContact CG-CZ 3.41Å; Q214-R216 PolarHBondContact O-N 3.33Å
217	R	42.3	Very low	34.3	Very low	110 Å²	110	101 Å²	101	42%	0.415	51%	0.513	S	S	.	.	H	α-helix	trans	-75.6	-51.2	-177	-81.1	179.3	175.2	-177.5	-4.5	111.8	T122 S124 N215 R219 T220 Y221	T122-R217 VanDerWaalsContact CG2-NH2 3.32Å; T122-R217 PolarHBondContact OG1-NH2 3.44Å; S124-R217 PolarHBondContact OG-NH1 3.07Å; S124-R217 VanDerWaalsContact OG-NH1 3.09Å; N215-R217 PolarHBondContact O-N 3.15Å; R217-R219 VanDerWaalsContact C-N 3.28Å; R217-R219 PolarHBondContact O-N 3.39Å; R217-T220 PolarHBondContact O-N 3.05Å; R217-Y221 VanDerWaalsContact C-CD2 3.46Å; R217-Y221 HydrophobicContact CB-CD2 4.46Å; R217-Y221 HydrophobicContact CB-CE2 3.89Å; R217-Y221 HydrophobicContact CG-CE2 4.42Å; R217-Y221 WeakPolarHBondContact O-CD2 3.23Å; R217-Y221 WeakPolarHBondContact O-CE2 3.32Å; R217-Y221 PolarHBondContact O-N 2.76Å
218	I	40.3	Very low	35	Very low	33 Å²	33	98.3 Å²	98.3	17%	0.169	49%	0.488	C	S	.	.	H	α-helix	trans	-63.4	-35.4	-174.3	-62	169.4	0	0	0	111.8	N215 T220 Y221 L222	N215-I218 PolarHBondContact O-N 2.91Å; I218-T220 VanDerWaalsContact C-N 3.34Å; I218-T220 PolarHBondContact O-N 3.05Å; I218-Y221 PolarHBondContact O-N 2.89Å; I218-L222 HydrophobicContact CG2-CD1 3.67Å; I218-L222 HydrophobicContact CG2-CG 4.23Å; I218-L222 PolarHBondContact O-N 3.04Å; I218-L222 VanDerWaalsContact O-N 3.08Å
219	R	35.1	Very low	35.7	Very low	143 Å²	143	98.5 Å²	98.5	54%	0.54	47%	0.471	S	S	.	.	H	α-helix	trans	-64.4	-33.7	-177.6	-166	175.7	170.5	170.5	-2.4	113.4	L213 R217 L223	L213-R219 HydrophobicContact CD1-CG 4.48Å; R217-R219 VanDerWaalsContact C-N 3.28Å; R217-R219 PolarHBondContact O-N 3.39Å; R219-L223 WeakPolarHBondContact O-CD1 3.32Å
220	T	39.7	Very low	36.2	Very low	68 Å²	68	89.4 Å²	89.4	42%	0.417	46%	0.458	S	S	.	.	H	α-helix	trans	-79.8	-35.2	177	-44.3	0	0	0	0	111.5	R217 I218 H224	R217-T220 PolarHBondContact O-N 3.05Å; I218-T220 VanDerWaalsContact C-N 3.34Å; I218-T220 PolarHBondContact O-N 3.05Å; T220-H224 WeakPolarHBondContact O-CB 3.41Å; T220-H224 PolarHBondContact O-N 3.3Å
221	Y	42.3	Very low	36.7	Very low	94 Å²	94	96.1 Å²	96.1	37%	0.369	46%	0.462	S	S	.	.	H	α-helix	trans	-72.3	-39.5	-177.5	-61.7	-54.7	0	0	0	113.3	L128 R217 I218 H224 F225	L128-Y221 HydrophobicContact CD1-CD1 4.25Å; L128-Y221 HydrophobicContact CD1-CD2 4.38Å; L128-Y221 HydrophobicContact CD1-CE1 3.49Å; L128-Y221 VanDerWaalsContact CD1-CE1 3.49Å; L128-Y221 HydrophobicContact CD1-CE2 3.64Å; L128-Y221 WeakPolarHBondContact CD1-OH 3.45Å; R217-Y221 VanDerWaalsContact C-CD2 3.46Å; R217-Y221 HydrophobicContact CB-CD2 4.46Å; R217-Y221 HydrophobicContact CB-CE2 3.89Å; R217-Y221 HydrophobicContact CG-CE2 4.42Å; R217-Y221 WeakPolarHBondContact O-CD2 3.23Å; R217-Y221 WeakPolarHBondContact O-CE2 3.32Å; R217-Y221 PolarHBondContact O-N 2.76Å; I218-Y221 PolarHBondContact O-N 2.89Å; Y221-H224 PolarHBondContact O-N 3.29Å; Y221-F225 WeakPolarHBondContact O-CB 3.36Å; Y221-F225 PolarHBondContact O-N 3.31Å
222	L	37	Very low	36.9	Very low	38 Å²	38	90.4 Å²	90.4	20%	0.199	45%	0.451	C	S	.	.	H	α-helix	trans	-69.8	-37.1	176.4	-69.5	171.9	0	0	0	112	I218 F225 F226 F292	I218-L222 HydrophobicContact CG2-CD1 3.67Å; I218-L222 HydrophobicContact CG2-CG 4.23Å; I218-L222 PolarHBondContact O-N 3.04Å; I218-L222 VanDerWaalsContact O-N 3.08Å; L222-F225 PolarHBondContact O-N 3.31Å; L222-F226 HydrophobicContact CD2-CE2 4.41Å; L222-F226 WeakPolarHBondContact O-CD2 3.22Å; L222-F226 PolarHBondContact O-N 3.02Å; L222-F226 VanDerWaalsContact O-N 3.08Å; L222-F292 HydrophobicContact CD1-CD1 4.22Å
223	L	37.9	Very low	37.2	Very low	79 Å²	79	93 Å²	93	41%	0.414	46%	0.458	S	S	.	.	H	α-helix	trans	-67.8	-34	174.1	-91	155.3	0	0	0	112.3	F107 R219 L227	F107-L223 HydrophobicContact CE1-CD2 4.23Å; R219-L223 WeakPolarHBondContact O-CD1 3.32Å; L223-L227 HydrophobicContact CD2-CD1 3.48Å; L223-L227 VanDerWaalsContact CD2-CD1 3.48Å; L223-L227 HydrophobicContact CD2-CG 4.48Å; L223-L227 VanDerWaalsContact O-CB 3.3Å; L223-L227 WeakPolarHBondContact O-CB 3.41Å; L223-L227 PolarHBondContact O-N 3.18Å
224	H	42.1	Very low	37.2	Very low	101 Å²	101	100.3 Å²	100.3	47%	0.468	49%	0.488	S	S	.	.	H	α-helix	trans	-72.3	-36.5	174.4	-155.8	-94.4	0	0	0	112.2	T220 Y221 L228	T220-H224 WeakPolarHBondContact O-CB 3.41Å; T220-H224 PolarHBondContact O-N 3.3Å; Y221-H224 PolarHBondContact O-N 3.29Å; H224-L228 WeakPolarHBondContact CD2-CD1 3.19Å; H224-L228 VanDerWaalsContact NE2-CD1 3.32Å; H224-L228 WeakPolarHBondContact NE2-CD1 3.49Å
225	F	36.3	Very low	37.1	Very low	76 Å²	76	101.8 Å²	101.8	33%	0.333	50%	0.495	S	S	.	.	H	α-helix	trans	-65.6	-41.4	176.5	-174.5	-99.5	0	0	0	112.6	Y221 L222 L242	Y221-F225 WeakPolarHBondContact O-CB 3.36Å; Y221-F225 PolarHBondContact O-N 3.31Å; L222-F225 PolarHBondContact O-N 3.31Å; F225-L242 HydrophobicContact CD2-CD1 4.06Å; F225-L242 HydrophobicContact CE2-CD1 4.3Å
226	F	37.5	Very low	37	Very low	72 Å²	72	102.4 Å²	102.4	32%	0.316	50%	0.504	S	S	.	.	H	α-helix	trans	-89.4	-17.5	-176	-76.3	-68.8	0	0	0	115.5	L222 L313	L222-F226 HydrophobicContact CD2-CE2 4.41Å; L222-F226 WeakPolarHBondContact O-CD2 3.22Å; L222-F226 PolarHBondContact O-N 3.02Å; L222-F226 VanDerWaalsContact O-N 3.08Å; F226-L313 HydrophobicContact CD1-CD2 3.52Å; F226-L313 HydrophobicContact CE1-CD1 3.88Å; F226-L313 HydrophobicContact CE1-CD2 3.58Å; F226-L313 HydrophobicContact CE1-CG 4.42Å
227	L	41.3	Very low	36.7	Very low	103 Å²	103	105.1 Å²	105.1	54%	0.539	52%	0.515	S	S	.	.	H	α-helix	trans	-112.4	-9.8	-172.8	-66.1	173.2	0	0	0	115.8	F107 L223	F107-L227 HydrophobicContact CE1-CD1 3.64Å; F107-L227 HydrophobicContact CZ-CD1 3.63Å; L223-L227 HydrophobicContact CD2-CD1 3.48Å; L223-L227 VanDerWaalsContact CD2-CD1 3.48Å; L223-L227 HydrophobicContact CD2-CG 4.48Å; L223-L227 VanDerWaalsContact O-CB 3.3Å; L223-L227 WeakPolarHBondContact O-CB 3.41Å; L223-L227 PolarHBondContact O-N 3.18Å
228	L	40.7	Very low	36.8	Very low	71 Å²	71	104.7 Å²	104.7	37%	0.372	52%	0.518	S	S	.	.	S	Bend	trans	-120.7	-10.5	-174.4	-78.3	158.9	0	0	0	115.4	A103 H224	A103-L228 HydrophobicContact CB-CD2 4.44Å; H224-L228 WeakPolarHBondContact CD2-CD1 3.19Å; H224-L228 VanDerWaalsContact NE2-CD1 3.32Å; H224-L228 WeakPolarHBondContact NE2-CD1 3.49Å
229	N	38.8	Very low	37.1	Very low	77 Å²	77	107.4 Å²	107.4	41%	0.412	53%	0.528	S	S	.	.			trans	-109.9	20.1	-169.1	-69.8	-51.7	0	0	0	116.1	R231	N229-R231 PolarHBondContact O-N 2.77Å; N229-R231 VanDerWaalsContact O-N 3.12Å
230	G	34.9	Very low	37.6	Very low	67 Å²	67	102 Å²	102	69%	0.691	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-1.9	176.7	0	0	0	0	0	116
231	R	34.1	Very low	38.1	Very low	206 Å²	206	102.1 Å²	102.1	78%	0.777	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.3	3.5	-174.3	-68.4	-166.1	-172.9	-151.9	1.8	116.9	S179 N229	S179-R231 PolarHBondContact OG-NH2 2.67Å; N229-R231 PolarHBondContact O-N 2.77Å; N229-R231 VanDerWaalsContact O-N 3.12Å
232	A	30	Very low	38.4	Very low	76 Å²	76	99.2 Å²	99.2	63%	0.628	50%	0.496	S	S	*	.			trans	-137	71.2	-176.1	0	0	0	0	0	111.5
233	L	31.9	Very low	38.9	Very low	147 Å²	147	98.7 Å²	98.7	77%	0.77	50%	0.495	S	S	*	.			trans	-106.6	20.8	176.6	-96.7	168.5	0	0	0	113.2
234	K	30.8	Very low	39.7	Very low	204 Å²	204	100.5 Å²	100.5	89%	0.887	50%	0.502	S	S	*	.	S	Bend	trans	-105.3	-12.7	-178.6	-108	-177.9	177.1	-178.8	0	116.5
235	E	31.6	Very low	40.6	Very low	177 Å²	177	99.8 Å²	99.8	83%	0.827	50%	0.497	S	S	*	.	S	Bend	trans	-142.1	108.3	-176.2	-64.9	-178.8	179.7	0	0	113.2
236	S	33	Very low	42	Very low	83 Å²	83	98 Å²	98	58%	0.58	50%	0.496	S	S	*	.			trans	77.9	106.9	159.4	74.9	0	0	0	0	120.1	Q238	S236-Q238 PolarHBondContact O-N 3.28Å; S236-Q238 WeakPolarHBondContact OG-CG 3.46Å; S236-Q238 PolarHBondContact OG-NE2 2.93Å; S236-Q238 VanDerWaalsContact OG-NE2 3.12Å
237	W	34.1	Very low	43.5	Very low	183 Å²	183	100 Å²	100	69%	0.693	52%	0.515	S	S	*	.			trans	-71.2	63.1	168.6	-66.3	87.9	0	0	0	112.3	F239 I299	W237-F239 PolarHBondContact O-N 2.84Å; W237-I299 HydrophobicContact CZ3-CD1 4.12Å
238	Q	42.8	Very low	45.3	Very low	101 Å²	101	100.2 Å²	100.2	47%	0.472	51%	0.512	S	S	.	.			trans	-74.4	11.4	-172.4	-67.9	-176.5	2.5	0	0	116	S236	S236-Q238 PolarHBondContact O-N 3.28Å; S236-Q238 WeakPolarHBondContact OG-CG 3.46Å; S236-Q238 PolarHBondContact OG-NE2 2.93Å; S236-Q238 VanDerWaalsContact OG-NE2 3.12Å
239	F	46.6	Very low	46.6	Very low	89 Å²	89	100.2 Å²	100.2	39%	0.39	52%	0.516	S	S	.	.			trans	-122.6	93.2	-179.3	-62.5	-88.5	0	0	0	111.6	L128 W237 Y241 L242 S243	L128-F239 HydrophobicContact CB-CD1 4.2Å; L128-F239 HydrophobicContact CB-CE1 4.11Å; L128-F239 HydrophobicContact CD2-CD1 4.45Å; L128-F239 WeakPolarHBondContact O-CD1 3.45Å; L128-F239 WeakPolarHBondContact O-CE1 3.2Å; W237-F239 PolarHBondContact O-N 2.84Å; F239-Y241 VanDerWaalsContact C-N 3.31Å; F239-Y241 PolarHBondContact O-N 3.31Å; F239-L242 HydrophobicContact CB-CB 4.06Å; F239-L242 HydrophobicContact CB-CD1 3.55Å; F239-L242 HydrophobicContact CB-CG 3.72Å; F239-L242 HydrophobicContact CD1-CD1 4.43Å; F239-L242 HydrophobicContact CD2-CD1 4.22Å; F239-L242 HydrophobicContact CG-CD1 3.84Å; F239-L242 HydrophobicContact CG-CG 4.46Å; F239-L242 PolarHBondContact O-N 3.39Å; F239-S243 PolarHBondContact O-OG 3.45Å
240	P	46.2	Very low	48.5	Very low	30 Å²	30	97.4 Å²	97.4	20%	0.195	51%	0.505	C	S	.	.	H	α-helix	trans	-56.7	-40.6	-177.8	-25.5	33.4	0	0	0	113.3	T134 L242 S243 Q244	T134-P240 HydrophobicContact CG2-CB 4.1Å; T134-P240 HydrophobicContact CG2-CG 3.93Å; P240-L242 PolarHBondContact O-N 3.2Å; P240-S243 CarbonylContact O-C 3.53Å; P240-S243 PolarHBondContact O-N 3.13Å; P240-S243 PolarHBondContact O-OG 2.93Å; P240-Q244 WeakPolarHBondContact O-CB 3.25Å; P240-Q244 WeakPolarHBondContact O-CG 3.35Å; P240-Q244 PolarHBondContact O-N 3.48Å
241	Y	49.2	Very low	50.8	Low	71 Å²	71	95.3 Å²	95.3	28%	0.278	48%	0.478	S	S	.	.	H	α-helix	trans	-67	-16.6	179.4	-67.7	-78.6	0	0	0	114.6	T134 F239	T134-Y241 HydrophobicContact CG2-CE2 4.21Å; F239-Y241 VanDerWaalsContact C-N 3.31Å; F239-Y241 PolarHBondContact O-N 3.31Å
242	L	50	Low	53.1	Low	33 Å²	33	91.1 Å²	91.1	17%	0.173	47%	0.471	C	S	.	.	H	α-helix	trans	-88.4	-19.9	175.3	-59.8	-178.6	0	0	0	111.8	F225 F239 P240 F277 P295 A296 I299	F225-L242 HydrophobicContact CD2-CD1 4.06Å; F225-L242 HydrophobicContact CE2-CD1 4.3Å; F239-L242 HydrophobicContact CB-CB 4.06Å; F239-L242 HydrophobicContact CB-CD1 3.55Å; F239-L242 HydrophobicContact CB-CG 3.72Å; F239-L242 HydrophobicContact CD1-CD1 4.43Å; F239-L242 HydrophobicContact CD2-CD1 4.22Å; F239-L242 HydrophobicContact CG-CD1 3.84Å; F239-L242 HydrophobicContact CG-CG 4.46Å; F239-L242 PolarHBondContact O-N 3.39Å; P240-L242 PolarHBondContact O-N 3.2Å; L242-F277 HydrophobicContact CD2-CE2 4.44Å; L242-F277 HydrophobicContact CD2-CZ 4.48Å; L242-P295 HydrophobicContact CB-CB 4.29Å; L242-P295 HydrophobicContact CD2-CB 4.05Å; L242-P295 HydrophobicContact CD2-CG 3.75Å; L242-P295 CarbonylContact O-C 3.54Å; L242-P295 WeakPolarHBondContact O-CB 3.47Å; L242-A296 PolarHBondContact O-N 3.06Å; L242-I299 WeakPolarHBondContact O-CD1 3.33Å
243	S	47	Very low	55.5	Low	26 Å²	26	91.5 Å²	91.5	18%	0.182	47%	0.468	C	S	.	.	H	α-helix	trans	-126	13	-169.9	55.8	0	0	0	0	113.5	F239 P240 F300	F239-S243 PolarHBondContact O-OG 3.45Å; P240-S243 CarbonylContact O-C 3.53Å; P240-S243 PolarHBondContact O-N 3.13Å; P240-S243 PolarHBondContact O-OG 2.93Å; S243-F300 VanDerWaalsContact C-CE2 3.48Å; S243-F300 WeakPolarHBondContact O-CE2 3.36Å; S243-F300 WeakPolarHBondContact O-CZ 3.36Å
244	Q	55.5	Low	57.9	Low	118 Å²	118	85.6 Å²	85.6	55%	0.551	44%	0.437	S	S	*	.	S	Bend	trans	-132.4	136.8	174.6	-67.2	179.8	-7.9	0	0	109.6	P240 A246 A296	P240-Q244 WeakPolarHBondContact O-CB 3.25Å; P240-Q244 WeakPolarHBondContact O-CG 3.35Å; P240-Q244 PolarHBondContact O-N 3.48Å; Q244-A246 PolarHBondContact O-N 3.15Å; Q244-A296 VanDerWaalsContact C-CB 3.45Å; Q244-A296 WeakPolarHBondContact O-CB 3.47Å
245	F	60.7	Low	60.4	Low	86 Å²	86	81.6 Å²	81.6	38%	0.377	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-65.4	133.9	169.7	-67.6	-80.8	0	0	0	109.4	V247 A296 K297 F300 N301	F245-V247 PolarHBondContact O-N 3.31Å; F245-A296 HydrophobicContact CD1-CB 4.3Å; F245-A296 HydrophobicContact CG-CB 4.49Å; F245-K297 HydrophobicContact CD1-CG 4.12Å; F245-K297 HydrophobicContact CE1-CB 4.37Å; F245-K297 HydrophobicContact CE1-CG 3.88Å; F245-F300 HydrophobicContact CD2-CD2 4.37Å; F245-F300 HydrophobicContact CE1-CB 4.44Å; F245-F300 HydrophobicContact CE2-CB 3.39Å; F245-F300 AromaticContact CE2-CD2 3.83Å; F245-F300 HydrophobicContact CE2-CD2 3.83Å; F245-F300 AromaticContact CE2-CG 3.79Å; F245-F300 HydrophobicContact CE2-CG 3.79Å; F245-F300 HydrophobicContact CZ-CB 3.31Å; F245-F300 HydrophobicContact CZ-CD2 4.2Å; F245-F300 HydrophobicContact CZ-CG 4.13Å; F245-N301 WeakPolarHBondContact CE1-ND2 3.45Å; F245-N301 HydrophobicContact CZ-CB 4.34Å; F245-N301 VanDerWaalsContact CZ-CG 3.49Å; F245-N301 WeakPolarHBondContact CZ-ND2 3.03Å; F245-N301 WeakPolarHBondContact CZ-OD1 3Å
246	A	65.6	Low	63	Low	38 Å²	38	77.3 Å²	77.3	31%	0.314	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-62.8	128.2	169.5	0	0	0	0	0	109.6	Q244	Q244-A246 PolarHBondContact O-N 3.15Å
247	V	68.7	Low	65.6	Low	115 Å²	115	76.5 Å²	76.5	70%	0.697	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-103	125.5	172	-178.9	0	0	0	0	107.2	F245 T249	F245-V247 PolarHBondContact O-N 3.31Å; V247-T249 PolarHBondContact O-N 2.99Å
248	E	78	Confident	68.1	Low	106 Å²	106	68 Å²	68	50%	0.495	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-64.5	122.6	173	-65.4	-177	-153.1	0	0	109.5	V274 Y281	E248-V274 HydrophobicContact CG-CG1 4.01Å; E248-Y281 PolarHBondContact OE2-OH 3.25Å
249	T	69.3	Low	70	Confident	72 Å²	72	66.8 Å²	66.8	44%	0.442	36%	0.357	S	S	.	.			trans	-86.4	-8.2	-179.2	55	0	0	0	0	113.2	V247 C253	V247-T249 PolarHBondContact O-N 2.99Å; T249-C253 WeakPolarHBondContact O-CB 3.22Å; T249-C253 PolarHBondContact O-SG 3.18Å
250	G	78.2	Confident	71.6	Confident	18 Å²	18	65.8 Å²	65.8	19%	0.186	36%	0.361	C	S	.	.			trans	86.6	152.6	-167	0	0	0	0	0	112.8	D252 C253 Y281	G250-D252 VanDerWaalsContact C-N 3.32Å; G250-D252 VanDerWaalsContact C-OD1 3.25Å; G250-D252 WeakPolarHBondContact CA-OD1 3.27Å; G250-C253 PolarHBondContact O-N 3.49Å; G250-Y281 WeakPolarHBondContact CA-OH 3.27Å; G250-Y281 PolarHBondContact N-OH 2.79Å; G250-Y281 WeakPolarHBondContact O-CE2 3.19Å
251	L	84.2	Confident	73.5	Confident	23 Å²	23	67.2 Å²	67.2	12%	0.12	37%	0.371	C	S	.	.	S	Bend	trans	-70.8	-29.7	-179.8	178.4	67.4	0	0	0	112.2	C253 Q254 E256 I265 Y272 Y281	L251-C253 VanDerWaalsContact C-N 3.34Å; L251-Q254 HydrophobicContact CD1-CG 4.33Å; L251-Q254 WeakPolarHBondContact O-CG 3.21Å; L251-Q254 PolarHBondContact O-N 3.19Å; L251-E256 HydrophobicContact CD2-CG 4.47Å; L251-E256 HydrophobicContact CG-CB 4.43Å; L251-E256 HydrophobicContact CG-CG 4.24Å; L251-E256 PolarHBondContact O-N 3.25Å; L251-I265 HydrophobicContact CD1-CD1 3.81Å; L251-I265 HydrophobicContact CD1-CG1 3.85Å; L251-Y272 HydrophobicContact CD2-CD1 4.06Å; L251-Y272 HydrophobicContact CD2-CE1 3.74Å; L251-Y281 HydrophobicContact CD1-CG 4.43Å
252	D	81.6	Confident	75.2	Confident	117 Å²	117	66.7 Å²	66.7	63%	0.626	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-61.2	-40.2	173.4	59.5	-39.1	0	0	0	111.8	G250 Q254 N255	G250-D252 VanDerWaalsContact C-N 3.32Å; G250-D252 VanDerWaalsContact C-OD1 3.25Å; G250-D252 WeakPolarHBondContact CA-OD1 3.27Å; D252-Q254 PolarHBondContact O-N 3Å; D252-Q254 VanDerWaalsContact O-N 3.07Å; D252-N255 PolarHBondContact O-N 3.37Å
253	C	81	Confident	76.8	Confident	85 Å²	85	70.7 Å²	70.7	57%	0.574	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-65.5	-11.7	178.2	-75.8	0	0	0	0	114.6	T249 G250 L251	T249-C253 WeakPolarHBondContact O-CB 3.22Å; T249-C253 PolarHBondContact O-SG 3.18Å; G250-C253 PolarHBondContact O-N 3.49Å; L251-C253 VanDerWaalsContact C-N 3.34Å
254	Q	81.2	Confident	78.8	Confident	23 Å²	23	77.1 Å²	77.1	11%	0.107	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-117.1	23.6	174.7	61.9	-175.8	7.1	0	0	112.1	L251 D252 E256 Q257 Y281	L251-Q254 HydrophobicContact CD1-CG 4.33Å; L251-Q254 WeakPolarHBondContact O-CG 3.21Å; L251-Q254 PolarHBondContact O-N 3.19Å; D252-Q254 PolarHBondContact O-N 3Å; D252-Q254 VanDerWaalsContact O-N 3.07Å; Q254-E256 PolarHBondContact O-N 2.74Å; Q254-E256 VanDerWaalsContact O-N 3.17Å; Q254-Q257 WeakPolarHBondContact O-CB 3.41Å; Q254-Q257 PolarHBondContact O-N 3.21Å; Q254-Y281 VanDerWaalsContact OE1-N 3.1Å
255	N	84.1	Confident	80.3	Confident	120 Å²	120	71.5 Å²	71.5	64%	0.642	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	34.8	178.9	-60.1	-49.4	0	0	0	113.5	D252 Q257	D252-N255 PolarHBondContact O-N 3.37Å; N255-Q257 WeakPolarHBondContact O-CG 3.42Å; N255-Q257 PolarHBondContact O-N 3.31Å
256	E	85.4	Confident	81.5	Confident	86 Å²	86	67.7 Å²	67.7	40%	0.402	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	35.5	-176.9	-54.6	-169.5	140.4	0	0	112.8	L251 Q254 R264 I265	L251-E256 HydrophobicContact CD2-CG 4.47Å; L251-E256 HydrophobicContact CG-CB 4.43Å; L251-E256 HydrophobicContact CG-CG 4.24Å; L251-E256 PolarHBondContact O-N 3.25Å; Q254-E256 PolarHBondContact O-N 2.74Å; Q254-E256 VanDerWaalsContact O-N 3.17Å; E256-R264 CarbonylContact O-C 3.54Å; E256-R264 VanDerWaalsContact O-CA 3.22Å; E256-R264 WeakPolarHBondContact O-CA 3.23Å; E256-I265 CarbonylContact C-O 3.59Å; E256-I265 WeakPolarHBondContact CB-O 3.29Å; E256-I265 PolarHBondContact O-N 3.33Å
257	Q	87.9	Confident	82.2	Confident	67 Å²	67	75.8 Å²	75.8	31%	0.313	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-122.3	144.7	-178.1	-72.4	169	26.3	0	0	112	Q254 N255 N259 R263 R264	Q254-Q257 WeakPolarHBondContact O-CB 3.41Å; Q254-Q257 PolarHBondContact O-N 3.21Å; N255-Q257 WeakPolarHBondContact O-CG 3.42Å; N255-Q257 PolarHBondContact O-N 3.31Å; Q257-N259 PolarHBondContact O-N 3.27Å; Q257-R263 CarbonylContact C-O 3.47Å; Q257-R263 WeakPolarHBondContact CA-O 3.28Å; Q257-R264 HydrophobicContact CG-CG 4.42Å
258	C	86.7	Confident	82.7	Confident	3 Å²	3	78.5 Å²	78.5	2%	0.02	41%	0.407	C	S	.	.			trans	-62.8	123.9	173.8	170.5	0	0	0	0	109.6	S260 C261 A262 R263 I265 C283	C258-S260 PolarHBondContact O-N 3.38Å; C258-C261 PolarHBondContact O-N 2.8Å; C258-C261 PolarHBondContact SG-SG 3.43Å; C258-A262 WeakPolarHBondContact O-CA 3.24Å; C258-A262 PolarHBondContact O-N 3.07Å; C258-R263 PolarHBondContact N-O 3.22Å; C258-I265 HydrophobicContact CB-CD1 4.27Å; C258-I265 HydrophobicContact CB-CG2 4.31Å; C258-C283 HydrophobicContact CB-CB 4.24Å; C258-C283 PolarHBondContact SG-N 2.88Å; C258-C283 VanDerWaalsContact SG-N 3.36Å
259	N	83.8	Confident	83	Confident	76 Å²	76	76.6 Å²	76.6	41%	0.406	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-17.9	-176.9	-169.5	43.7	0	0	0	114	Q257 H280 Y281 Y282	Q257-N259 PolarHBondContact O-N 3.27Å; N259-H280 HydrophobicContact CB-CB 3.75Å; N259-H280 VanDerWaalsContact CG-CD2 3.41Å; N259-H280 WeakPolarHBondContact ND2-CB 3.48Å; N259-H280 PolarHBondContact ND2-CD2 2.9Å; N259-H280 VanDerWaalsContact ND2-CD2 3.3Å; N259-Y281 PolarHBondContact N-O 3.44Å; N259-Y282 HydrophobicContact CB-CD1 4.39Å; N259-Y282 HydrophobicContact CB-CE1 3.85Å; N259-Y282 HydrophobicContact CB-CE2 4.35Å; N259-Y282 PolarHBondContact ND2-OH 3.06Å
260	S	79.2	Confident	83.6	Confident	69 Å²	69	77.2 Å²	77.2	48%	0.483	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-41.8	176.2	-172.8	0	0	0	0	114.6	C258	C258-S260 PolarHBondContact O-N 3.38Å
261	C	85.4	Confident	84.1	Confident	60 Å²	60	80.6 Å²	80.6	41%	0.405	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-0.6	-167.3	70.8	0	0	0	0	114	C258 R263 C286	C258-C261 PolarHBondContact O-N 2.8Å; C258-C261 PolarHBondContact SG-SG 3.43Å; C261-R263 PolarHBondContact O-N 3.24Å; C261-R263 VanDerWaalsContact O-N 3.09Å; C261-R263 VanDerWaalsContact SG-CB 3.52Å; C261-C286 VanDerWaalsContact SG-SG 3.69Å
262	A	84.7	Confident	84.2	Confident	59 Å²	59	84.5 Å²	84.5	49%	0.488	43%	0.43	S	S	.	.			trans	58.3	14.5	-177	0	0	0	0	0	115	C258	C258-A262 WeakPolarHBondContact O-CA 3.24Å; C258-A262 PolarHBondContact O-N 3.07Å
263	R	83.8	Confident	84.6	Confident	118 Å²	118	81.3 Å²	81.3	45%	0.445	41%	0.411	S	S	.	.			trans	-67.2	138	172.3	-174.2	-179	-62.5	172.3	-1.6	109.5	Q257 C258 C261 I265 E270	Q257-R263 CarbonylContact C-O 3.47Å; Q257-R263 WeakPolarHBondContact CA-O 3.28Å; C258-R263 PolarHBondContact N-O 3.22Å; C261-R263 PolarHBondContact O-N 3.24Å; C261-R263 VanDerWaalsContact O-N 3.09Å; C261-R263 VanDerWaalsContact SG-CB 3.52Å; R263-I265 PolarHBondContact O-N 2.89Å; R263-E270 WeakPolarHBondContact CD-OE2 2.89Å; R263-E270 IonicContact CZ-OE2 3.85Å; R263-E270 IonicContact NE-OE2 3.97Å; R263-E270 IonicContact NH1-OE1 3.58Å; R263-E270 IonicContact NH1-OE2 2.91Å; R263-E270 PolarHBondContact NH1-OE2 3.09Å
264	R	89.3	Confident	84.8	Confident	161 Å²	161	78.7 Å²	78.7	61%	0.608	39%	0.392	S	S	*	.	B	Isolated β-bridge	trans	-63.2	131.9	174.7	-65.6	-165.8	179	-173	-2	111.4	E256 Q257 N269	E256-R264 CarbonylContact O-C 3.54Å; E256-R264 VanDerWaalsContact O-CA 3.22Å; E256-R264 WeakPolarHBondContact O-CA 3.23Å; Q257-R264 HydrophobicContact CG-CG 4.42Å; R264-N269 HydrophobicContact CB-CB 4.22Å
265	I	88.1	Confident	84.9	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-139	142.7	-178.1	50.6	163.6	0	0	0	108.4	L251 E256 C258 R263 E270 C283	L251-I265 HydrophobicContact CD1-CD1 3.81Å; L251-I265 HydrophobicContact CD1-CG1 3.85Å; E256-I265 CarbonylContact C-O 3.59Å; E256-I265 WeakPolarHBondContact CB-O 3.29Å; E256-I265 PolarHBondContact O-N 3.33Å; C258-I265 HydrophobicContact CB-CD1 4.27Å; C258-I265 HydrophobicContact CB-CG2 4.31Å; R263-I265 PolarHBondContact O-N 2.89Å; I265-E270 WeakPolarHBondContact CA-O 3.48Å; I265-C283 HydrophobicContact CG2-CB 3.64Å
266	G	85.6	Confident	84.6	Confident	6 Å²	6	77.9 Å²	77.9	6%	0.062	39%	0.386	C	S	.	.	S	Bend	trans	145	-169.3	-175.7	0	0	0	0	0	112.9	E268 N269 E270	G266-E268 VanDerWaalsContact C-N 3.29Å; G266-E268 PolarHBondContact O-N 3.2Å; G266-N269 CarbonylContact O-C 3.48Å; G266-N269 PolarHBondContact O-N 2.9Å; G266-N269 VanDerWaalsContact O-N 3.08Å; G266-E270 PolarHBondContact N-O 3.42Å; G266-E270 VanDerWaalsContact N-O 3.12Å
267	F	79.7	Confident	83.9	Confident	207 Å²	207	76.4 Å²	76.4	91%	0.908	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-39.7	-173.2	-174.1	-99.8	0	0	0	113.2
268	E	80.3	Confident	83.4	Confident	173 Å²	173	75 Å²	75	81%	0.808	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-7.1	179.6	-59.6	-174.4	166.4	0	0	113.8	G266	G266-E268 VanDerWaalsContact C-N 3.29Å; G266-E268 PolarHBondContact O-N 3.2Å
269	N	83.3	Confident	83.1	Confident	66 Å²	66	75 Å²	75	35%	0.353	37%	0.373	S	S	.	.	S	Bend	trans	-121.8	-155.3	-171.1	-65.1	-68.7	0	0	0	111.2	R264 G266	R264-N269 HydrophobicContact CB-CB 4.22Å; G266-N269 CarbonylContact O-C 3.48Å; G266-N269 PolarHBondContact O-N 2.9Å; G266-N269 VanDerWaalsContact O-N 3.08Å
270	E	82.7	Confident	83.1	Confident	84 Å²	84	73.9 Å²	73.9	39%	0.393	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-68.2	148.7	175.9	-70.6	-172.9	167.1	0	0	111.5	R263 I265 G266	R263-E270 WeakPolarHBondContact CD-OE2 2.89Å; R263-E270 IonicContact CZ-OE2 3.85Å; R263-E270 IonicContact NE-OE2 3.97Å; R263-E270 IonicContact NH1-OE1 3.58Å; R263-E270 IonicContact NH1-OE2 2.91Å; R263-E270 PolarHBondContact NH1-OE2 3.09Å; I265-E270 WeakPolarHBondContact CA-O 3.48Å; G266-E270 PolarHBondContact N-O 3.42Å; G266-E270 VanDerWaalsContact N-O 3.12Å
271	P	87	Confident	83.5	Confident	90 Å²	90	71.4 Å²	71.4	58%	0.584	35%	0.345	S	S	*	.			trans	-60.5	149.4	172.5	26.6	-34.6	0	0	0	111
272	Y	88.2	Confident	83.6	Confident	105 Å²	105	69.5 Å²	69.5	41%	0.412	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	165	-178.6	59.9	-97.1	0	0	0	112.3	L251 Y281 Y282	L251-Y272 HydrophobicContact CD2-CD1 4.06Å; L251-Y272 HydrophobicContact CD2-CE1 3.74Å; Y272-Y281 AromaticContact CD2-CD1 3.44Å; Y272-Y281 HydrophobicContact CD2-CD1 3.44Å; Y272-Y281 VanDerWaalsContact CD2-CD1 3.44Å; Y272-Y281 HydrophobicContact CD2-CE1 4.22Å; Y272-Y281 HydrophobicContact CD2-CG 4.33Å; Y272-Y281 AromaticContact CE2-CD1 3.5Å; Y272-Y281 HydrophobicContact CE2-CD1 3.5Å; Y272-Y281 VanDerWaalsContact CE2-CD1 3.5Å; Y272-Y281 AromaticContact CE2-CE1 3.8Å; Y272-Y281 HydrophobicContact CE2-CE1 3.8Å; Y272-Y281 HydrophobicContact CG-CD1 4.34Å; Y272-Y282 CarbonylContact C-O 3.54Å; Y272-Y282 VanDerWaalsContact CA-O 3.31Å; Y272-Y282 WeakPolarHBondContact CA-O 3.24Å
273	K	88.1	Confident	83.8	Confident	49 Å²	49	66.7 Å²	66.7	21%	0.213	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.3	176.9	-65.4	167.4	171.8	-164.5	0	109.9	Y281 Y282 H287 D289	K273-Y281 CarbonylContact O-C 3.06Å; K273-Y281 VanDerWaalsContact O-CA 3.3Å; K273-Y281 WeakPolarHBondContact O-CA 3.43Å; K273-Y282 PolarHBondContact N-O 3.37Å; K273-Y282 PolarHBondContact O-N 2.96Å; K273-H287 HydrophobicContact CB-CB 3.96Å; K273-H287 HydrophobicContact CD-CB 3.97Å; K273-H287 WeakPolarHBondContact CD-O 2.9Å; K273-H287 PolarHBondContact NZ-O 3.34Å; K273-D289 VanDerWaalsContact CD-OD1 3.27Å; K273-D289 WeakPolarHBondContact CD-OD1 3.18Å; K273-D289 WeakPolarHBondContact CE-OD1 3.47Å; K273-D289 WeakPolarHBondContact CE-OD2 3.29Å; K273-D289 IonicContact NZ-OD1 3.17Å; K273-D289 PolarHBondContact NZ-OD1 3.2Å; K273-D289 IonicContact NZ-OD2 2.64Å; K273-D289 PolarHBondContact NZ-OD2 3.05Å
274	V	86.9	Confident	84	Confident	31 Å²	31	63.6 Å²	63.6	19%	0.188	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	128	178.8	-175.6	0	0	0	0	109.9	E248 Y281	E248-V274 HydrophobicContact CG-CG1 4.01Å; V274-Y281 HydrophobicContact CG2-CD1 3.54Å; V274-Y281 HydrophobicContact CG2-CE1 3.5Å; V274-Y281 VanDerWaalsContact CG2-CE1 3.5Å; V274-Y281 HydrophobicContact CG2-CG 4.42Å
275	C	83.4	Confident	83.7	Confident	13 Å²	13	59 Å²	59	9%	0.088	30%	0.3	C	S	.	.			trans	-85.7	113.1	171.3	177.6	0	0	0	0	109.7	F277 D278 G279 H280 Y282	C275-F277 PolarHBondContact O-N 3.01Å; C275-F277 VanDerWaalsContact O-N 3.16Å; C275-D278 WeakPolarHBondContact CB-OD1 3.47Å; C275-D278 PolarHBondContact O-N 2.92Å; C275-D278 PolarHBondContact SG-OD1 3.33Å; C275-D278 VanDerWaalsContact SG-OD1 3.38Å; C275-G279 VanDerWaalsContact O-CA 3.3Å; C275-G279 WeakPolarHBondContact O-CA 3.44Å; C275-G279 PolarHBondContact O-N 3.33Å; C275-H280 PolarHBondContact N-O 3.12Å; C275-Y282 HydrophobicContact CB-CD2 3.83Å; C275-Y282 HydrophobicContact CB-CE2 3.49Å; C275-Y282 VanDerWaalsContact CB-CE2 3.49Å
276	H	76.8	Confident	83.4	Confident	112 Å²	112	60.8 Å²	60.8	52%	0.519	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-7	-178.3	-65.7	87.8	0	0	0	114.1	I294	H276-I294 HydrophobicContact CB-CD1 3.42Å; H276-I294 VanDerWaalsContact CB-CD1 3.42Å; H276-I294 WeakPolarHBondContact O-CD1 3.4Å
277	F	71.3	Confident	83.3	Confident	56 Å²	56	62.1 Å²	62.1	25%	0.246	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-39.6	176.7	176.1	-106.3	0	0	0	112.8	L242 C275 I294 P295	L242-F277 HydrophobicContact CD2-CE2 4.44Å; L242-F277 HydrophobicContact CD2-CZ 4.48Å; C275-F277 PolarHBondContact O-N 3.01Å; C275-F277 VanDerWaalsContact O-N 3.16Å; F277-I294 HydrophobicContact CB-CG1 4.47Å; F277-I294 HydrophobicContact CD2-CG2 4.42Å; F277-P295 HydrophobicContact CE2-CG 4.33Å
278	D	77.3	Confident	83.4	Confident	38 Å²	38	55.4 Å²	55.4	20%	0.203	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-8.1	-177.5	61.1	28.1	0	0	0	114.4	C275 H280 Y282	C275-D278 WeakPolarHBondContact CB-OD1 3.47Å; C275-D278 PolarHBondContact O-N 2.92Å; C275-D278 PolarHBondContact SG-OD1 3.33Å; C275-D278 VanDerWaalsContact SG-OD1 3.38Å; D278-H280 VanDerWaalsContact C-N 3.31Å; D278-H280 PolarHBondContact O-CE1 2.97Å; D278-H280 PolarHBondContact O-N 3.08Å; D278-H280 PolarHBondContact O-ND1 2.87Å; D278-H280 PolarHBondContact OD1-N 3.05Å; D278-H280 VanDerWaalsContact OD1-N 3.08Å; D278-H280 IonicContact OD1-ND1 2.98Å; D278-Y282 PolarHBondContact OD2-OH 2.86Å
279	G	81	Confident	83.1	Confident	2 Å²	2	51.6 Å²	51.6	2%	0.021	28%	0.277	C	S	.	.			trans	79.5	4.9	174.5	0	0	0	0	0	115.2	C275	C275-G279 VanDerWaalsContact O-CA 3.3Å; C275-G279 WeakPolarHBondContact O-CA 3.44Å; C275-G279 PolarHBondContact O-N 3.33Å
280	H	83.7	Confident	82.3	Confident	53 Å²	53	50.6 Å²	50.6	25%	0.245	27%	0.272	C	S	.	.			trans	-94.9	167.4	-177.5	-63.9	72	0	0	0	112	N259 C275 D278 Y282	N259-H280 HydrophobicContact CB-CB 3.75Å; N259-H280 VanDerWaalsContact CG-CD2 3.41Å; N259-H280 WeakPolarHBondContact ND2-CB 3.48Å; N259-H280 PolarHBondContact ND2-CD2 2.9Å; N259-H280 VanDerWaalsContact ND2-CD2 3.3Å; C275-H280 PolarHBondContact N-O 3.12Å; D278-H280 VanDerWaalsContact C-N 3.31Å; D278-H280 PolarHBondContact O-CE1 2.97Å; D278-H280 PolarHBondContact O-N 3.08Å; D278-H280 PolarHBondContact O-ND1 2.87Å; D278-H280 PolarHBondContact OD1-N 3.05Å; D278-H280 VanDerWaalsContact OD1-N 3.08Å; D278-H280 IonicContact OD1-ND1 2.98Å; H280-Y282 HydrophobicContact CB-CE2 3.82Å; H280-Y282 WeakPolarHBondContact O-CD2 3.47Å
281	Y	87.3	Confident	81.6	Confident	16 Å²	16	55.3 Å²	55.3	6%	0.063	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	145.6	179.1	-34.8	-123	0	0	0	112.4	E248 G250 L251 Q254 N259 Y272 K273 V274	E248-Y281 PolarHBondContact OE2-OH 3.25Å; G250-Y281 WeakPolarHBondContact CA-OH 3.27Å; G250-Y281 PolarHBondContact N-OH 2.79Å; G250-Y281 WeakPolarHBondContact O-CE2 3.19Å; L251-Y281 HydrophobicContact CD1-CG 4.43Å; Q254-Y281 VanDerWaalsContact OE1-N 3.1Å; N259-Y281 PolarHBondContact N-O 3.44Å; Y272-Y281 AromaticContact CD2-CD1 3.44Å; Y272-Y281 HydrophobicContact CD2-CD1 3.44Å; Y272-Y281 VanDerWaalsContact CD2-CD1 3.44Å; Y272-Y281 HydrophobicContact CD2-CE1 4.22Å; Y272-Y281 HydrophobicContact CD2-CG 4.33Å; Y272-Y281 AromaticContact CE2-CD1 3.5Å; Y272-Y281 HydrophobicContact CE2-CD1 3.5Å; Y272-Y281 VanDerWaalsContact CE2-CD1 3.5Å; Y272-Y281 AromaticContact CE2-CE1 3.8Å; Y272-Y281 HydrophobicContact CE2-CE1 3.8Å; Y272-Y281 HydrophobicContact CG-CD1 4.34Å; K273-Y281 CarbonylContact O-C 3.06Å; K273-Y281 VanDerWaalsContact O-CA 3.3Å; K273-Y281 WeakPolarHBondContact O-CA 3.43Å; V274-Y281 HydrophobicContact CG2-CD1 3.54Å; V274-Y281 HydrophobicContact CG2-CE1 3.5Å; V274-Y281 VanDerWaalsContact CG2-CE1 3.5Å; V274-Y281 HydrophobicContact CG2-CG 4.42Å
282	Y	86.9	Confident	80.4	Confident	20 Å²	20	55.2 Å²	55.2	8%	0.078	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.5	-171	-66.2	-92.2	0	0	0	110.2	N259 Y272 K273 C275 D278 H280 C286 H287	N259-Y282 HydrophobicContact CB-CD1 4.39Å; N259-Y282 HydrophobicContact CB-CE1 3.85Å; N259-Y282 HydrophobicContact CB-CE2 4.35Å; N259-Y282 PolarHBondContact ND2-OH 3.06Å; Y272-Y282 CarbonylContact C-O 3.54Å; Y272-Y282 VanDerWaalsContact CA-O 3.31Å; Y272-Y282 WeakPolarHBondContact CA-O 3.24Å; K273-Y282 PolarHBondContact N-O 3.37Å; K273-Y282 PolarHBondContact O-N 2.96Å; C275-Y282 HydrophobicContact CB-CD2 3.83Å; C275-Y282 HydrophobicContact CB-CE2 3.49Å; C275-Y282 VanDerWaalsContact CB-CE2 3.49Å; D278-Y282 PolarHBondContact OD2-OH 2.86Å; H280-Y282 HydrophobicContact CB-CE2 3.82Å; H280-Y282 WeakPolarHBondContact O-CD2 3.47Å; Y282-C286 HydrophobicContact CD1-CB 4.05Å; Y282-H287 HydrophobicContact CG-CB 4.38Å
283	C	89	Confident	78.8	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	160.4	169	69.3	0	0	0	0	110.9	C258 I265 A285 C286 H287	C258-C283 HydrophobicContact CB-CB 4.24Å; C258-C283 PolarHBondContact SG-N 2.88Å; C258-C283 VanDerWaalsContact SG-N 3.36Å; I265-C283 HydrophobicContact CG2-CB 3.64Å; C283-A285 PolarHBondContact O-N 3.06Å; C283-C286 PolarHBondContact O-N 3.02Å; C283-H287 PolarHBondContact O-N 3.01Å
284	S	88.2	Confident	77.5	Confident	54 Å²	54	50.8 Å²	50.8	38%	0.378	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.2	179.2	-61	0	0	0	0	114.9
285	A	83.7	Confident	75.9	Confident	65 Å²	65	49.7 Å²	49.7	54%	0.537	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-25.7	174.5	0	0	0	0	0	113.1	C283	C283-A285 PolarHBondContact O-N 3.06Å
286	C	81.6	Confident	74.5	Confident	36 Å²	36	49.1 Å²	49.1	24%	0.243	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-27.3	-178.6	-68.4	0	0	0	0	112.8	C261 Y282 C283	C261-C286 VanDerWaalsContact SG-SG 3.69Å; Y282-C286 HydrophobicContact CD1-CB 4.05Å; C283-C286 PolarHBondContact O-N 3.02Å
287	H	83.3	Confident	73.7	Confident	34 Å²	34	47 Å²	47	16%	0.157	25%	0.248	C	C	.	.			trans	-116.6	105.1	176	-165.6	-74	0	0	0	110.7	K273 Y282 C283 D289	K273-H287 HydrophobicContact CB-CB 3.96Å; K273-H287 HydrophobicContact CD-CB 3.97Å; K273-H287 WeakPolarHBondContact CD-O 2.9Å; K273-H287 PolarHBondContact NZ-O 3.34Å; Y282-H287 HydrophobicContact CG-CB 4.38Å; C283-H287 PolarHBondContact O-N 3.01Å; H287-D289 IonicContact CE1-OD1 2.73Å; H287-D289 PolarHBondContact ND1-N 3.22Å; H287-D289 IonicContact ND1-OD1 2.64Å; H287-D289 PolarHBondContact ND1-OD1 3.34Å
288	V	82	Confident	72.8	Confident	67 Å²	67	45.6 Å²	45.6	41%	0.406	25%	0.245	S	C	.	.			trans	-96.3	16.3	-174.2	-66.3	0	0	0	0	113.5	D290	V288-D290 HydrophobicContact CG2-CB 4.48Å; V288-D290 WeakPolarHBondContact CG2-OD2 3.37Å; V288-D290 PolarHBondContact O-N 3.47Å
289	D	74	Confident	71.3	Confident	92 Å²	92	46.9 Å²	46.9	49%	0.492	25%	0.251	S	S	.	.			trans	56.6	30.3	179.4	-51.8	-29.1	0	0	0	114.1	K273 H287 E291	K273-D289 VanDerWaalsContact CD-OD1 3.27Å; K273-D289 WeakPolarHBondContact CD-OD1 3.18Å; K273-D289 WeakPolarHBondContact CE-OD1 3.47Å; K273-D289 WeakPolarHBondContact CE-OD2 3.29Å; K273-D289 IonicContact NZ-OD1 3.17Å; K273-D289 PolarHBondContact NZ-OD1 3.2Å; K273-D289 IonicContact NZ-OD2 2.64Å; K273-D289 PolarHBondContact NZ-OD2 3.05Å; H287-D289 IonicContact CE1-OD1 2.73Å; H287-D289 PolarHBondContact ND1-N 3.22Å; H287-D289 IonicContact ND1-OD1 2.64Å; H287-D289 PolarHBondContact ND1-OD1 3.34Å; D289-E291 PolarHBondContact O-N 3.03Å
290	D	66.2	Low	69.8	Low	46 Å²	46	52.1 Å²	52.1	25%	0.246	27%	0.273	C	S	.	.			trans	-66.1	125.5	169.9	-72.1	-27.3	0	0	0	109.3	V288 F292	V288-D290 HydrophobicContact CG2-CB 4.48Å; V288-D290 WeakPolarHBondContact CG2-OD2 3.37Å; V288-D290 PolarHBondContact O-N 3.47Å; D290-F292 HydrophobicContact CB-CD2 4.2Å; D290-F292 HydrophobicContact CB-CE2 3.34Å; D290-F292 HydrophobicContact CB-CZ 3.85Å
291	E	67.3	Low	68	Low	183 Å²	183	54.7 Å²	54.7	86%	0.855	29%	0.289	S	S	*	.			trans	-85.2	127.5	179.2	-65.5	-177.8	162.9	0	0	111.6	D289	D289-E291 PolarHBondContact O-N 3.03Å
292	F	61.3	Low	66	Low	88 Å²	88	62.8 Å²	62.8	39%	0.386	32%	0.319	S	S	.	.			trans	-136	153.4	173.9	-63	-73.5	0	0	0	111.4	L213 L222 D290 I294	L213-F292 HydrophobicContact CD1-CE1 4.16Å; L213-F292 HydrophobicContact CD1-CZ 3.98Å; L213-F292 HydrophobicContact CD2-CE1 4.05Å; L213-F292 HydrophobicContact CD2-CE2 3.88Å; L213-F292 HydrophobicContact CD2-CZ 3.26Å; L213-F292 HydrophobicContact CG-CE1 4.41Å; L213-F292 HydrophobicContact CG-CZ 3.73Å; L222-F292 HydrophobicContact CD1-CD1 4.22Å; D290-F292 HydrophobicContact CB-CD2 4.2Å; D290-F292 HydrophobicContact CB-CE2 3.34Å; D290-F292 HydrophobicContact CB-CZ 3.85Å; F292-I294 PolarHBondContact O-N 3.42Å
293	L	55.3	Low	63.9	Low	36 Å²	36	65.2 Å²	65.2	19%	0.188	33%	0.334	C	S	.	.			trans	-66.1	127.1	170.3	-65.8	152.9	0	0	0	109.2	P295 V298 I308	L293-P295 WeakPolarHBondContact O-CD 3.44Å; L293-V298 HydrophobicContact CB-CG2 4.2Å; L293-V298 HydrophobicContact CD2-CG2 4.27Å; L293-I308 HydrophobicContact CD1-CD1 3.49Å; L293-I308 VanDerWaalsContact CD1-CD1 3.49Å; L293-I308 HydrophobicContact CD1-CG1 3.42Å; L293-I308 VanDerWaalsContact CD1-CG1 3.42Å; L293-I308 HydrophobicContact CD2-CD1 3.46Å; L293-I308 VanDerWaalsContact CD2-CD1 3.46Å; L293-I308 HydrophobicContact CD2-CG1 3.95Å; L293-I308 HydrophobicContact CG-CD1 3.97Å; L293-I308 HydrophobicContact CG-CG1 4.28Å
294	I	60.8	Low	61.9	Low	25 Å²	25	67.5 Å²	67.5	13%	0.128	34%	0.344	C	S	.	.			trans	-92.6	113	177.1	-65.4	155.6	0	0	0	107.7	H276 F277 F292 A296 K297 V298	H276-I294 HydrophobicContact CB-CD1 3.42Å; H276-I294 VanDerWaalsContact CB-CD1 3.42Å; H276-I294 WeakPolarHBondContact O-CD1 3.4Å; F277-I294 HydrophobicContact CB-CG1 4.47Å; F277-I294 HydrophobicContact CD2-CG2 4.42Å; F292-I294 PolarHBondContact O-N 3.42Å; I294-A296 VanDerWaalsContact C-N 3.26Å; I294-A296 HydrophobicContact CG2-CB 4.43Å; I294-A296 PolarHBondContact O-N 3.47Å; I294-A296 VanDerWaalsContact O-N 3.15Å; I294-K297 HydrophobicContact CB-CB 4.17Å; I294-K297 HydrophobicContact CB-CD 4.34Å; I294-K297 HydrophobicContact CB-CG 4.08Å; I294-K297 HydrophobicContact CD1-CD 3.95Å; I294-K297 HydrophobicContact CD1-CG 4.49Å; I294-K297 HydrophobicContact CG2-CB 4.39Å; I294-K297 HydrophobicContact CG2-CG 4.04Å; I294-K297 PolarHBondContact O-N 3.01Å; I294-V298 WeakPolarHBondContact O-CG2 3.2Å; I294-V298 PolarHBondContact O-N 3.08Å
295	P	52.5	Low	59.9	Low	8 Å²	8	70.7 Å²	70.7	5%	0.052	36%	0.356	C	S	.	.	H	α-helix	trans	-52.3	-40.6	-174.3	-30	38	0	0	0	113.7	L242 F277 L293 K297 V298 I299	L242-P295 HydrophobicContact CB-CB 4.29Å; L242-P295 HydrophobicContact CD2-CB 4.05Å; L242-P295 HydrophobicContact CD2-CG 3.75Å; L242-P295 CarbonylContact O-C 3.54Å; L242-P295 WeakPolarHBondContact O-CB 3.47Å; F277-P295 HydrophobicContact CE2-CG 4.33Å; L293-P295 WeakPolarHBondContact O-CD 3.44Å; P295-K297 PolarHBondContact O-N 3.16Å; P295-V298 WeakPolarHBondContact O-CB 3.32Å; P295-V298 PolarHBondContact O-N 3.21Å; P295-I299 WeakPolarHBondContact O-CB 3.19Å; P295-I299 WeakPolarHBondContact O-CD1 3.2Å; P295-I299 WeakPolarHBondContact O-CG1 3.46Å; P295-I299 PolarHBondContact O-N 3.25Å
296	A	54.6	Low	57.9	Low	0 Å²	0	76.6 Å²	76.6	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-62.8	-43	175.5	0	0	0	0	0	112.9	L242 Q244 F245 I294 V298 I299 F300	L242-A296 PolarHBondContact O-N 3.06Å; Q244-A296 VanDerWaalsContact C-CB 3.45Å; Q244-A296 WeakPolarHBondContact O-CB 3.47Å; F245-A296 HydrophobicContact CD1-CB 4.3Å; F245-A296 HydrophobicContact CG-CB 4.49Å; I294-A296 VanDerWaalsContact C-N 3.26Å; I294-A296 HydrophobicContact CG2-CB 4.43Å; I294-A296 PolarHBondContact O-N 3.47Å; I294-A296 VanDerWaalsContact O-N 3.15Å; A296-V298 VanDerWaalsContact C-N 3.31Å; A296-V298 PolarHBondContact O-N 2.92Å; A296-I299 PolarHBondContact O-N 3.18Å; A296-F300 HydrophobicContact CB-CD2 4.32Å; A296-F300 WeakPolarHBondContact O-CD2 2.99Å; A296-F300 PolarHBondContact O-N 3.49Å
297	K	59.8	Low	56.6	Low	67 Å²	67	78.2 Å²	78.2	29%	0.291	38%	0.382	S	S	.	.	H	α-helix	trans	-65	-37	176.4	-68.5	-166.5	174	-172.3	0	112.4	F245 I294 P295 N301 W302 D303	F245-K297 HydrophobicContact CD1-CG 4.12Å; F245-K297 HydrophobicContact CE1-CB 4.37Å; F245-K297 HydrophobicContact CE1-CG 3.88Å; I294-K297 HydrophobicContact CB-CB 4.17Å; I294-K297 HydrophobicContact CB-CD 4.34Å; I294-K297 HydrophobicContact CB-CG 4.08Å; I294-K297 HydrophobicContact CD1-CD 3.95Å; I294-K297 HydrophobicContact CD1-CG 4.49Å; I294-K297 HydrophobicContact CG2-CB 4.39Å; I294-K297 HydrophobicContact CG2-CG 4.04Å; I294-K297 PolarHBondContact O-N 3.01Å; P295-K297 PolarHBondContact O-N 3.16Å; K297-N301 CarbonylContact O-C 3.48Å; K297-N301 WeakPolarHBondContact O-CA 3.17Å; K297-N301 WeakPolarHBondContact O-CB 3.37Å; K297-N301 PolarHBondContact O-N 3.47Å; K297-W302 PolarHBondContact O-N 3.23Å; K297-D303 HydrophobicContact CB-CB 4.39Å; K297-D303 PolarHBondContact O-N 3.27Å
298	V	53.3	Low	55.3	Low	27 Å²	27	76.7 Å²	76.7	16%	0.164	38%	0.375	C	S	.	.	H	α-helix	trans	-64.7	-45.3	175.5	174.3	0	0	0	0	110.7	L293 I294 P295 A296 F304 I308	L293-V298 HydrophobicContact CB-CG2 4.2Å; L293-V298 HydrophobicContact CD2-CG2 4.27Å; I294-V298 WeakPolarHBondContact O-CG2 3.2Å; I294-V298 PolarHBondContact O-N 3.08Å; P295-V298 WeakPolarHBondContact O-CB 3.32Å; P295-V298 PolarHBondContact O-N 3.21Å; A296-V298 VanDerWaalsContact C-N 3.31Å; A296-V298 PolarHBondContact O-N 2.92Å; V298-F304 HydrophobicContact CB-CZ 4.38Å; V298-F304 HydrophobicContact CG1-CD1 4.1Å; V298-F304 HydrophobicContact CG1-CE1 3.35Å; V298-F304 HydrophobicContact CG1-CE2 3.96Å; V298-F304 HydrophobicContact CG1-CZ 3.28Å; V298-F304 WeakPolarHBondContact O-CE2 3.36Å; V298-I308 HydrophobicContact CG1-CD1 4.38Å; V298-I308 HydrophobicContact CG2-CD1 4.27Å
299	I	46	Very low	54.3	Low	66 Å²	66	75 Å²	75	34%	0.338	37%	0.368	S	S	.	.	H	α-helix	trans	-72.8	-45.3	-176	-69.9	162.8	0	0	0	112.2	W237 L242 P295 A296	W237-I299 HydrophobicContact CZ3-CD1 4.12Å; L242-I299 WeakPolarHBondContact O-CD1 3.33Å; P295-I299 WeakPolarHBondContact O-CB 3.19Å; P295-I299 WeakPolarHBondContact O-CD1 3.2Å; P295-I299 WeakPolarHBondContact O-CG1 3.46Å; P295-I299 PolarHBondContact O-N 3.25Å; A296-I299 PolarHBondContact O-N 3.18Å
300	F	48.5	Very low	54	Low	111 Å²	111	75.4 Å²	75.4	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-101	-28.9	-169.4	-65.8	-72.5	0	0	0	114.5	S243 F245 A296	S243-F300 VanDerWaalsContact C-CE2 3.48Å; S243-F300 WeakPolarHBondContact O-CE2 3.36Å; S243-F300 WeakPolarHBondContact O-CZ 3.36Å; F245-F300 HydrophobicContact CD2-CD2 4.37Å; F245-F300 HydrophobicContact CE1-CB 4.44Å; F245-F300 HydrophobicContact CE2-CB 3.39Å; F245-F300 AromaticContact CE2-CD2 3.83Å; F245-F300 HydrophobicContact CE2-CD2 3.83Å; F245-F300 AromaticContact CE2-CG 3.79Å; F245-F300 HydrophobicContact CE2-CG 3.79Å; F245-F300 HydrophobicContact CZ-CB 3.31Å; F245-F300 HydrophobicContact CZ-CD2 4.2Å; F245-F300 HydrophobicContact CZ-CG 4.13Å; A296-F300 HydrophobicContact CB-CD2 4.32Å; A296-F300 WeakPolarHBondContact O-CD2 2.99Å; A296-F300 PolarHBondContact O-N 3.49Å
301	N	46.7	Very low	54.1	Low	107 Å²	107	77.5 Å²	77.5	57%	0.572	38%	0.375	S	S	*	.	H	α-helix	trans	-113.4	0.5	-175.3	-75.3	-3.8	0	0	0	113.8	F245 K297 D303	F245-N301 WeakPolarHBondContact CE1-ND2 3.45Å; F245-N301 HydrophobicContact CZ-CB 4.34Å; F245-N301 VanDerWaalsContact CZ-CG 3.49Å; F245-N301 WeakPolarHBondContact CZ-ND2 3.03Å; F245-N301 WeakPolarHBondContact CZ-OD1 3Å; K297-N301 CarbonylContact O-C 3.48Å; K297-N301 WeakPolarHBondContact O-CA 3.17Å; K297-N301 WeakPolarHBondContact O-CB 3.37Å; K297-N301 PolarHBondContact O-N 3.47Å; N301-D303 HydrophobicContact CB-CB 4.45Å; N301-D303 PolarHBondContact O-N 3.04Å
302	W	44.2	Very low	54.7	Low	187 Å²	187	70.8 Å²	70.8	71%	0.708	35%	0.347	S	S	*	.			trans	46.3	38.7	-174.6	-145	-61.5	0	0	0	112.7	K297 F304	K297-W302 PolarHBondContact O-N 3.23Å; W302-F304 HydrophobicContact CB-CD2 4.18Å; W302-F304 HydrophobicContact CB-CE2 4.01Å; W302-F304 AromaticContact CD1-CD2 3.04Å; W302-F304 AromaticContact CD1-CE2 3.1Å; W302-F304 AromaticContact CD2-CE2 3.99Å; W302-F304 HydrophobicContact CD2-CE2 3.99Å; W302-F304 AromaticContact CE2-CE2 3.97Å; W302-F304 AromaticContact CG-CD2 3.7Å; W302-F304 HydrophobicContact CG-CD2 3.7Å; W302-F304 AromaticContact CG-CE2 3.4Å; W302-F304 HydrophobicContact CG-CE2 3.4Å; W302-F304 VanDerWaalsContact CG-CE2 3.4Å; W302-F304 AromaticContact NE1-CD2 3.55Å; W302-F304 AromaticContact NE1-CE2 3.36Å; W302-F304 WeakPolarHBondContact O-CD2 3.37Å; W302-F304 PolarHBondContact O-N 3.22Å; W302-F304 VanDerWaalsContact O-N 3.1Å
303	D	43.4	Very low	55.3	Low	70 Å²	70	69.7 Å²	69.7	37%	0.374	35%	0.345	S	S	.	.			trans	-87.5	80.9	-179.7	-170.5	2.9	0	0	0	109.6	K297 N301	K297-D303 HydrophobicContact CB-CB 4.39Å; K297-D303 PolarHBondContact O-N 3.27Å; N301-D303 HydrophobicContact CB-CB 4.45Å; N301-D303 PolarHBondContact O-N 3.04Å
304	F	46.6	Very low	56.2	Low	48 Å²	48	69.9 Å²	69.9	21%	0.211	34%	0.344	C	S	.	.			trans	-108.2	61.5	-176.6	-64.8	-112.9	0	0	0	110.8	V298 W302 F306 I308	V298-F304 HydrophobicContact CB-CZ 4.38Å; V298-F304 HydrophobicContact CG1-CD1 4.1Å; V298-F304 HydrophobicContact CG1-CE1 3.35Å; V298-F304 HydrophobicContact CG1-CE2 3.96Å; V298-F304 HydrophobicContact CG1-CZ 3.28Å; V298-F304 WeakPolarHBondContact O-CE2 3.36Å; W302-F304 HydrophobicContact CB-CD2 4.18Å; W302-F304 HydrophobicContact CB-CE2 4.01Å; W302-F304 AromaticContact CD1-CD2 3.04Å; W302-F304 AromaticContact CD1-CE2 3.1Å; W302-F304 AromaticContact CD2-CE2 3.99Å; W302-F304 HydrophobicContact CD2-CE2 3.99Å; W302-F304 AromaticContact CE2-CE2 3.97Å; W302-F304 AromaticContact CG-CD2 3.7Å; W302-F304 HydrophobicContact CG-CD2 3.7Å; W302-F304 AromaticContact CG-CE2 3.4Å; W302-F304 HydrophobicContact CG-CE2 3.4Å; W302-F304 VanDerWaalsContact CG-CE2 3.4Å; W302-F304 AromaticContact NE1-CD2 3.55Å; W302-F304 AromaticContact NE1-CE2 3.36Å; W302-F304 WeakPolarHBondContact O-CD2 3.37Å; W302-F304 PolarHBondContact O-N 3.22Å; W302-F304 VanDerWaalsContact O-N 3.1Å; F304-F306 PolarHBondContact O-N 3.08Å; F304-I308 HydrophobicContact CB-CD1 4.49Å; F304-I308 HydrophobicContact CD1-CB 3.77Å; F304-I308 HydrophobicContact CD1-CD1 3.13Å; F304-I308 HydrophobicContact CD1-CG1 4Å; F304-I308 HydrophobicContact CD1-CG2 3.77Å; F304-I308 HydrophobicContact CE1-CB 4.5Å; F304-I308 HydrophobicContact CE1-CD1 3.63Å; F304-I308 HydrophobicContact CE1-CG2 4.05Å; F304-I308 HydrophobicContact CG-CD1 4.08Å
305	N	47.3	Very low	57.3	Low	121 Å²	121	70.5 Å²	70.5	65%	0.647	35%	0.348	S	S	*	.			trans	-57.1	103	174.7	-85.2	-37.5	0	0	0	111.4	S307	N305-S307 PolarHBondContact O-N 3.41Å
306	F	40.8	Very low	58.5	Low	189 Å²	189	70.7 Å²	70.7	83%	0.829	35%	0.348	S	S	*	.	S	Bend	trans	43.5	-24.1	173.3	-65.4	-84.3	0	0	0	121.2	F304 I308	F304-F306 PolarHBondContact O-N 3.08Å; F306-I308 PolarHBondContact O-N 3.38Å
307	S	54.4	Low	59.7	Low	70 Å²	70	72.1 Å²	72.1	49%	0.49	36%	0.356	S	S	.	.	S	Bend	trans	-79.7	-13	-167.4	-163.6	0	0	0	0	115.4	N305 R311	N305-S307 PolarHBondContact O-N 3.41Å; S307-R311 PolarHBondContact O-NE 2.92Å
308	I	55.4	Low	60.6	Low	2 Å²	2	73.1 Å²	73.1	1%	0.01	37%	0.371	C	S	.	.	S	Bend	trans	-103.7	-17.8	-176.9	-62.7	170.5	0	0	0	112.2	L293 V298 F304 F306 D310 R311 L313	L293-I308 HydrophobicContact CD1-CD1 3.49Å; L293-I308 VanDerWaalsContact CD1-CD1 3.49Å; L293-I308 HydrophobicContact CD1-CG1 3.42Å; L293-I308 VanDerWaalsContact CD1-CG1 3.42Å; L293-I308 HydrophobicContact CD2-CD1 3.46Å; L293-I308 VanDerWaalsContact CD2-CD1 3.46Å; L293-I308 HydrophobicContact CD2-CG1 3.95Å; L293-I308 HydrophobicContact CG-CD1 3.97Å; L293-I308 HydrophobicContact CG-CG1 4.28Å; V298-I308 HydrophobicContact CG1-CD1 4.38Å; V298-I308 HydrophobicContact CG2-CD1 4.27Å; F304-I308 HydrophobicContact CB-CD1 4.49Å; F304-I308 HydrophobicContact CD1-CB 3.77Å; F304-I308 HydrophobicContact CD1-CD1 3.13Å; F304-I308 HydrophobicContact CD1-CG1 4Å; F304-I308 HydrophobicContact CD1-CG2 3.77Å; F304-I308 HydrophobicContact CE1-CB 4.5Å; F304-I308 HydrophobicContact CE1-CD1 3.63Å; F304-I308 HydrophobicContact CE1-CG2 4.05Å; F304-I308 HydrophobicContact CG-CD1 4.08Å; F306-I308 PolarHBondContact O-N 3.38Å; I308-D310 PolarHBondContact O-N 3.3Å; I308-R311 HydrophobicContact CG2-CB 4.39Å; I308-R311 WeakPolarHBondContact O-CB 3.38Å; I308-R311 PolarHBondContact O-N 2.9Å; I308-L313 HydrophobicContact CG2-CD1 3.41Å; I308-L313 VanDerWaalsContact CG2-CD1 3.41Å; I308-L313 HydrophobicContact CG2-CG 4.49Å
309	A	61.2	Low	61.2	Low	31 Å²	31	76.9 Å²	76.9	26%	0.256	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-38.1	-171.8	0	0	0	0	0	112.8	S377 L378 T379	A309-S377 VanDerWaalsContact O-CB 3.24Å; A309-S377 WeakPolarHBondContact O-CB 3.42Å; A309-S377 PolarHBondContact O-OG 2.92Å; A309-L378 PolarHBondContact O-N 2.76Å; A309-T379 PolarHBondContact O-N 3.42Å; A309-T379 PolarHBondContact O-OG1 3.01Å; A309-T379 VanDerWaalsContact O-OG1 3.05Å
310	D	69.5	Low	62.8	Low	101 Å²	101	77 Å²	77	54%	0.54	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-3.3	178.7	-68.4	-43	0	0	0	115	I308 S377 T379	I308-D310 PolarHBondContact O-N 3.3Å; D310-S377 VanDerWaalsContact C-CB 3.44Å; D310-T379 WeakPolarHBondContact OD1-CB 3.41Å; D310-T379 WeakPolarHBondContact OD1-CG2 3.05Å; D310-T379 PolarHBondContact OD1-OG1 2.81Å
311	R	66.7	Low	64.3	Low	90 Å²	90	75.1 Å²	75.1	34%	0.34	39%	0.39	S	S	.	.	S	Bend	trans	-81.3	129.5	-179.4	-66.5	-170.5	-176.6	-163.9	-0.3	110.8	S307 I308 L313 S377	S307-R311 PolarHBondContact O-NE 2.92Å; I308-R311 HydrophobicContact CG2-CB 4.39Å; I308-R311 WeakPolarHBondContact O-CB 3.38Å; I308-R311 PolarHBondContact O-N 2.9Å; R311-L313 HydrophobicContact CB-CD1 4.22Å; R311-L313 HydrophobicContact CB-CD2 4.22Å; R311-L313 HydrophobicContact CB-CG 3.89Å; R311-L313 PolarHBondContact O-N 3.33Å; R311-S377 VanDerWaalsContact C-CB 3.45Å; R311-S377 VanDerWaalsContact O-CA 3.25Å; R311-S377 WeakPolarHBondContact O-CA 3.33Å; R311-S377 WeakPolarHBondContact O-CB 3.18Å
312	P	79.5	Confident	65.9	Low	43 Å²	43	76.8 Å²	76.8	28%	0.279	39%	0.394	S	S	.	.			trans	-77.5	91.1	178.6	32.5	-35.4	0	0	0	110.5	Y368 L375 Y376	P312-Y368 HydrophobicContact CB-CD1 4.08Å; P312-Y368 HydrophobicContact CB-CD2 3.51Å; P312-Y368 HydrophobicContact CB-CE1 4.02Å; P312-Y368 HydrophobicContact CB-CE2 3.51Å; P312-Y368 HydrophobicContact CB-CG 3.81Å; P312-Y368 HydrophobicContact CG-CD1 3.8Å; P312-Y368 HydrophobicContact CG-CD2 4.13Å; P312-Y368 HydrophobicContact CG-CE1 3.91Å; P312-Y368 HydrophobicContact CG-CE2 4.28Å; P312-Y368 HydrophobicContact CG-CG 3.89Å; P312-L375 HydrophobicContact CB-CD2 3.75Å; P312-L375 HydrophobicContact CB-CG 3.85Å; P312-L375 HydrophobicContact CG-CD2 4.32Å; P312-Y376 CarbonylContact C-O 3.48Å; P312-Y376 WeakPolarHBondContact CA-O 3.49Å
313	L	74.3	Confident	67.6	Low	64 Å²	64	70 Å²	70	34%	0.335	37%	0.371	S	S	.	.			trans	-115.4	-16.2	-174.7	-59.5	-176.2	0	0	0	113.4	F226 I308 R311 Y376	F226-L313 HydrophobicContact CD1-CD2 3.52Å; F226-L313 HydrophobicContact CE1-CD1 3.88Å; F226-L313 HydrophobicContact CE1-CD2 3.58Å; F226-L313 HydrophobicContact CE1-CG 4.42Å; I308-L313 HydrophobicContact CG2-CD1 3.41Å; I308-L313 VanDerWaalsContact CG2-CD1 3.41Å; I308-L313 HydrophobicContact CG2-CG 4.49Å; R311-L313 HydrophobicContact CB-CD1 4.22Å; R311-L313 HydrophobicContact CB-CD2 4.22Å; R311-L313 HydrophobicContact CB-CG 3.89Å; R311-L313 PolarHBondContact O-N 3.33Å; L313-Y376 PolarHBondContact N-O 3.27Å; L313-Y376 VanDerWaalsContact N-O 3.08Å
314	F	75.2	Confident	69.6	Low	41 Å²	41	67.2 Å²	67.2	18%	0.18	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	96.2	-168.9	-54.2	-83.5	0	0	0	109.8	L316 L319 Y376 L378	F314-L316 HydrophobicContact CB-CD2 4.48Å; F314-L316 PolarHBondContact O-N 3.44Å; F314-L319 HydrophobicContact CB-CD1 4.01Å; F314-L319 HydrophobicContact CD1-CD1 4.13Å; F314-Y376 WeakPolarHBondContact CD2-O 3.21Å; F314-Y376 PolarHBondContact N-O 3.48Å; F314-Y376 PolarHBondContact O-N 2.87Å; F314-L378 HydrophobicContact CD2-CD2 4.23Å; F314-L378 HydrophobicContact CD2-CG 4.43Å; F314-L378 HydrophobicContact CE1-CD2 4.33Å; F314-L378 HydrophobicContact CE2-CD1 4.45Å; F314-L378 HydrophobicContact CE2-CD2 3.59Å; F314-L378 HydrophobicContact CE2-CG 3.54Å; F314-L378 HydrophobicContact CZ-CD1 4.38Å; F314-L378 HydrophobicContact CZ-CD2 3.63Å; F314-L378 HydrophobicContact CZ-CG 3.84Å
315	N	83.4	Confident	71.3	Confident	38 Å²	38	69.4 Å²	69.4	20%	0.203	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	100.2	167.8	-171.6	-50.1	0	0	0	109	N317 S318 L319 D374 L375	N315-N317 VanDerWaalsContact C-N 3.34Å; N315-N317 PolarHBondContact O-N 3.41Å; N315-N317 PolarHBondContact OD1-N 3.05Å; N315-S318 PolarHBondContact O-N 3.39Å; N315-S318 PolarHBondContact OD1-N 2.96Å; N315-S318 PolarHBondContact OD1-OG 3.44Å; N315-L319 WeakPolarHBondContact O-CB 3.47Å; N315-L319 WeakPolarHBondContact O-CG 3.33Å; N315-L319 PolarHBondContact O-N 3.42Å; N315-D374 CarbonylContact C-O 3.34Å; N315-D374 VanDerWaalsContact CA-O 3.24Å; N315-D374 WeakPolarHBondContact CA-O 2.93Å; N315-L375 HydrophobicContact CB-CD1 4.27Å
316	L	77.1	Confident	73	Confident	12 Å²	12	70.3 Å²	70.3	6%	0.063	39%	0.387	C	S	.	.	H	α-helix	trans	-66.8	-33.8	-172.6	-66.5	-173.9	0	0	0	112.9	F314 S318 L319 N320 I323 Y324 L330 D374 Y376 L381	F314-L316 HydrophobicContact CB-CD2 4.48Å; F314-L316 PolarHBondContact O-N 3.44Å; L316-S318 VanDerWaalsContact C-N 3.3Å; L316-S318 PolarHBondContact O-N 3.08Å; L316-L319 PolarHBondContact O-N 3.47Å; L316-N320 CarbonylContact O-C 3.49Å; L316-N320 PolarHBondContact O-N 3.36Å; L316-N320 VanDerWaalsContact O-O 3.09Å; L316-I323 HydrophobicContact CB-CG2 4.2Å; L316-I323 HydrophobicContact CD1-CG2 4.25Å; L316-Y324 HydrophobicContact CB-CE2 4.16Å; L316-Y324 HydrophobicContact CD1-CE1 4.48Å; L316-L330 HydrophobicContact CD1-CD1 4.11Å; L316-L330 HydrophobicContact CD1-CD2 3.86Å; L316-D374 PolarHBondContact N-O 2.88Å; L316-Y376 HydrophobicContact CD1-CD2 3.75Å; L316-Y376 HydrophobicContact CD1-CE2 3.87Å; L316-Y376 HydrophobicContact CD1-CG 4.39Å; L316-Y376 HydrophobicContact CG-CD2 3.76Å; L316-Y376 HydrophobicContact CG-CE2 4.19Å; L316-L381 HydrophobicContact CD1-CD2 3.82Å; L316-L381 HydrophobicContact CD2-CD2 4.47Å; L316-L381 HydrophobicContact CG-CD2 4.49Å
317	N	81.5	Confident	75.1	Confident	30 Å²	30	63.1 Å²	63.1	16%	0.16	36%	0.36	C	S	.	.	H	α-helix	trans	-67.9	-33	177.3	-168	80	0	0	0	111.8	N315 P321 Y324 R334 D374	N315-N317 VanDerWaalsContact C-N 3.34Å; N315-N317 PolarHBondContact O-N 3.41Å; N315-N317 PolarHBondContact OD1-N 3.05Å; N317-P321 WeakPolarHBondContact O-CD 2.76Å; N317-P321 VanDerWaalsContact O-CG 3.24Å; N317-P321 WeakPolarHBondContact O-CG 3.37Å; N317-Y324 HydrophobicContact CB-CE2 4.38Å; N317-R334 PolarHBondContact OD1-NH2 3.41Å; N317-D374 HydrophobicContact CB-CB 3.74Å; N317-D374 VanDerWaalsContact CB-CG 3.47Å; N317-D374 VanDerWaalsContact CB-OD2 3.26Å; N317-D374 WeakPolarHBondContact CB-OD2 3.38Å
318	S	77.1	Confident	76.7	Confident	87 Å²	87	67.2 Å²	67.2	61%	0.608	37%	0.369	S	S	*	.	H	α-helix	trans	-80.9	-31	174.5	-58.2	0	0	0	0	113.5	N315 L316	N315-S318 PolarHBondContact O-N 3.39Å; N315-S318 PolarHBondContact OD1-N 2.96Å; N315-S318 PolarHBondContact OD1-OG 3.44Å; L316-S318 VanDerWaalsContact C-N 3.3Å; L316-S318 PolarHBondContact O-N 3.08Å
319	L	67.1	Low	78.3	Confident	106 Å²	106	69.1 Å²	69.1	56%	0.555	39%	0.385	S	S	*	.	H	α-helix	trans	-84.8	-48.3	-176.3	-71.7	170.9	0	0	0	112.8	F314 N315 L316	F314-L319 HydrophobicContact CB-CD1 4.01Å; F314-L319 HydrophobicContact CD1-CD1 4.13Å; N315-L319 WeakPolarHBondContact O-CB 3.47Å; N315-L319 WeakPolarHBondContact O-CG 3.33Å; N315-L319 PolarHBondContact O-N 3.42Å; L316-L319 PolarHBondContact O-N 3.47Å
320	N	78.4	Confident	79.6	Confident	68 Å²	68	68.2 Å²	68.2	36%	0.364	38%	0.376	S	S	.	.			trans	-157.5	84.8	-179.3	-179.5	2.1	0	0	0	109.7	L316 E322 I323	L316-N320 CarbonylContact O-C 3.49Å; L316-N320 PolarHBondContact O-N 3.36Å; L316-N320 VanDerWaalsContact O-O 3.09Å; N320-E322 PolarHBondContact O-N 3.28Å; N320-E322 WeakPolarHBondContact OD1-CB 3.32Å; N320-E322 PolarHBondContact OD1-N 3.03Å; N320-I323 WeakPolarHBondContact O-CB 3.3Å; N320-I323 WeakPolarHBondContact O-CG2 3.48Å; N320-I323 PolarHBondContact O-N 3.46Å
321	P	80.2	Confident	80.4	Confident	72 Å²	72	65.5 Å²	65.5	47%	0.468	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.8	-179.8	0.6	-2.2	0	0	0	113.8	N317 I323 Y324	N317-P321 WeakPolarHBondContact O-CD 2.76Å; N317-P321 VanDerWaalsContact O-CG 3.24Å; N317-P321 WeakPolarHBondContact O-CG 3.37Å; P321-I323 PolarHBondContact O-N 2.92Å; P321-I323 VanDerWaalsContact O-N 3.16Å; P321-Y324 PolarHBondContact O-N 3.47Å
322	E	81.3	Confident	81.5	Confident	142 Å²	142	64.5 Å²	64.5	66%	0.664	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-17.8	-180	-60.5	-176.9	173.9	0	0	113	N320 Y324 A325 L326	N320-E322 PolarHBondContact O-N 3.28Å; N320-E322 WeakPolarHBondContact OD1-CB 3.32Å; N320-E322 PolarHBondContact OD1-N 3.03Å; E322-Y324 PolarHBondContact O-N 2.84Å; E322-Y324 VanDerWaalsContact O-N 3.1Å; E322-A325 WeakPolarHBondContact O-CB 3.29Å; E322-A325 PolarHBondContact O-N 2.88Å; E322-L326 PolarHBondContact O-N 3.28Å; E322-L326 VanDerWaalsContact O-N 3.16Å
323	I	80.3	Confident	82	Confident	44 Å²	44	62.7 Å²	62.7	23%	0.226	35%	0.352	C	S	.	.	H	α-helix	trans	-57.7	-29.4	177.9	-157.9	172.4	0	0	0	112.6	L316 N320 P321 A325 L326 S327 L330	L316-I323 HydrophobicContact CB-CG2 4.2Å; L316-I323 HydrophobicContact CD1-CG2 4.25Å; N320-I323 WeakPolarHBondContact O-CB 3.3Å; N320-I323 WeakPolarHBondContact O-CG2 3.48Å; N320-I323 PolarHBondContact O-N 3.46Å; P321-I323 PolarHBondContact O-N 2.92Å; P321-I323 VanDerWaalsContact O-N 3.16Å; I323-A325 VanDerWaalsContact C-N 3.34Å; I323-L326 PolarHBondContact O-N 3.27Å; I323-S327 WeakPolarHBondContact O-CB 2.87Å; I323-S327 PolarHBondContact O-N 3.3Å; I323-L330 HydrophobicContact CD1-CD1 3.81Å; I323-L330 HydrophobicContact CG1-CD1 3.9Å
324	Y	83.9	Confident	82.8	Confident	13 Å²	13	60.7 Å²	60.7	5%	0.051	34%	0.34	C	S	.	.	H	α-helix	trans	-73.8	-25.3	177.2	-66.6	-62.3	0	0	0	112.9	L316 N317 P321 E322 L330 S331 R334 D374	L316-Y324 HydrophobicContact CB-CE2 4.16Å; L316-Y324 HydrophobicContact CD1-CE1 4.48Å; N317-Y324 HydrophobicContact CB-CE2 4.38Å; P321-Y324 PolarHBondContact O-N 3.47Å; E322-Y324 PolarHBondContact O-N 2.84Å; E322-Y324 VanDerWaalsContact O-N 3.1Å; Y324-L330 HydrophobicContact CD1-CB 3.95Å; Y324-L330 HydrophobicContact CE1-CB 4.08Å; Y324-S331 VanDerWaalsContact O-CB 3.29Å; Y324-S331 WeakPolarHBondContact O-CB 3.14Å; Y324-S331 PolarHBondContact O-OG 3.47Å; Y324-R334 HydrophobicContact CD1-CB 4.15Å; Y324-R334 HydrophobicContact CD1-CG 4.48Å; Y324-R334 HydrophobicContact CE1-CB 3.76Å; Y324-R334 HydrophobicContact CE1-CG 3.99Å; Y324-D374 PolarHBondContact OH-OD1 3.44Å
325	A	82.6	Confident	83.2	Confident	93 Å²	93	61 Å²	61	77%	0.769	35%	0.345	S	S	*	.	H	α-helix	trans	-76.7	-33.7	171.1	0	0	0	0	0	111.2	E322 I323	E322-A325 WeakPolarHBondContact O-CB 3.29Å; E322-A325 PolarHBondContact O-N 2.88Å; I323-A325 VanDerWaalsContact C-N 3.34Å
326	L	82.6	Confident	83.1	Confident	141 Å²	141	64.5 Å²	64.5	74%	0.738	36%	0.36	S	S	*	.	H	α-helix	trans	-81.4	-34.9	-177.6	-64.8	172.2	0	0	0	113.8	E322 I323	E322-L326 PolarHBondContact O-N 3.28Å; E322-L326 VanDerWaalsContact O-N 3.16Å; I323-L326 PolarHBondContact O-N 3.27Å
327	S	85.7	Confident	83.8	Confident	38 Å²	38	64.2 Å²	64.2	27%	0.266	36%	0.359	S	S	.	.			trans	-111	102.2	-175.8	178.4	0	0	0	0	111.5	I323 A329 L330 S331	I323-S327 WeakPolarHBondContact O-CB 2.87Å; I323-S327 PolarHBondContact O-N 3.3Å; S327-A329 PolarHBondContact O-N 3.41Å; S327-L330 PolarHBondContact O-N 3.21Å; S327-L330 VanDerWaalsContact O-N 3.14Å; S327-L330 PolarHBondContact OG-N 2.72Å; S327-S331 PolarHBondContact O-N 3.29Å
328	K	88.2	Confident	84.3	Confident	155 Å²	155	62.9 Å²	62.9	67%	0.674	35%	0.351	S	S	*	.	H	α-helix	trans	-52.5	-42.4	173.7	-177.8	173.4	174.3	176.4	0	112	L330 S331 E332	K328-L330 PolarHBondContact O-N 3.42Å; K328-S331 PolarHBondContact O-N 2.93Å; K328-E332 WeakPolarHBondContact CE-OE1 3.32Å; K328-E332 HydrophobicContact CG-CG 4.31Å; K328-E332 IonicContact NZ-OE1 2.76Å; K328-E332 WeakPolarHBondContact O-CB 3.39Å; K328-E332 WeakPolarHBondContact O-CG 2.96Å; K328-E332 PolarHBondContact O-N 3.16Å
329	A	88.9	Confident	85	Confident	42 Å²	42	59.9 Å²	59.9	35%	0.347	33%	0.328	S	S	.	.	H	α-helix	trans	-62.8	-41.7	179.7	0	0	0	0	0	112.8	S327 M333 V384	S327-A329 PolarHBondContact O-N 3.41Å; A329-M333 WeakPolarHBondContact O-CB 3.33Å; A329-M333 PolarHBondContact O-N 2.88Å; A329-V384 HydrophobicContact CB-CG1 4.29Å
330	L	87.9	Confident	86.2	Confident	13 Å²	13	56.8 Å²	56.8	7%	0.068	31%	0.311	C	S	.	.	H	α-helix	trans	-70.7	-39.6	176.4	-79.7	167.1	0	0	0	111.7	L316 I323 Y324 S327 K328 M333 R334 Y376 L381 V384	L316-L330 HydrophobicContact CD1-CD1 4.11Å; L316-L330 HydrophobicContact CD1-CD2 3.86Å; I323-L330 HydrophobicContact CD1-CD1 3.81Å; I323-L330 HydrophobicContact CG1-CD1 3.9Å; Y324-L330 HydrophobicContact CD1-CB 3.95Å; Y324-L330 HydrophobicContact CE1-CB 4.08Å; S327-L330 PolarHBondContact O-N 3.21Å; S327-L330 VanDerWaalsContact O-N 3.14Å; S327-L330 PolarHBondContact OG-N 2.72Å; K328-L330 PolarHBondContact O-N 3.42Å; L330-M333 PolarHBondContact O-N 3.5Å; L330-R334 VanDerWaalsContact O-CB 3.24Å; L330-R334 WeakPolarHBondContact O-CB 3.2Å; L330-R334 PolarHBondContact O-N 2.73Å; L330-Y376 HydrophobicContact CD2-CE1 4.46Å; L330-L381 HydrophobicContact CD2-CD2 4.09Å; L330-V384 HydrophobicContact CD2-CB 4.43Å; L330-V384 HydrophobicContact CD2-CG1 3.81Å; L330-V384 HydrophobicContact CG-CG1 4.09Å
331	S	87.4	Confident	86.8	Confident	44 Å²	44	54 Å²	54	31%	0.308	30%	0.296	S	S	.	.	H	α-helix	trans	-60.6	-49.3	177	-162.8	0	0	0	0	111.6	Y324 S327 K328 R334 V335	Y324-S331 VanDerWaalsContact O-CB 3.29Å; Y324-S331 WeakPolarHBondContact O-CB 3.14Å; Y324-S331 PolarHBondContact O-OG 3.47Å; S327-S331 PolarHBondContact O-N 3.29Å; K328-S331 PolarHBondContact O-N 2.93Å; S331-R334 PolarHBondContact O-N 3.25Å; S331-V335 WeakPolarHBondContact O-CB 3.09Å; S331-V335 WeakPolarHBondContact O-CG2 2.93Å; S331-V335 PolarHBondContact O-N 3.22Å
332	E	88.7	Confident	87.4	Confident	69 Å²	69	52.2 Å²	52.2	32%	0.322	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-44.1	177.1	-71.8	177.5	173	0	0	111.6	K328 R334 H336	K328-E332 WeakPolarHBondContact CE-OE1 3.32Å; K328-E332 HydrophobicContact CG-CG 4.31Å; K328-E332 IonicContact NZ-OE1 2.76Å; K328-E332 WeakPolarHBondContact O-CB 3.39Å; K328-E332 WeakPolarHBondContact O-CG 2.96Å; K328-E332 PolarHBondContact O-N 3.16Å; E332-R334 PolarHBondContact O-N 2.86Å; E332-H336 WeakPolarHBondContact O-CA 3.44Å; E332-H336 VanDerWaalsContact O-CB 3.28Å; E332-H336 WeakPolarHBondContact O-CB 3.38Å; E332-H336 PolarHBondContact O-N 2.9Å
333	M	90.6	Very high	87.9	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.025	25%	0.253	C	S	.	.	I	π-helix	trans	-58.3	-46.9	175.8	-174.7	71.6	-166.1	0	0	111.8	A329 L330 L337 L338 V384 L389 Q390 L393	A329-M333 WeakPolarHBondContact O-CB 3.33Å; A329-M333 PolarHBondContact O-N 2.88Å; L330-M333 PolarHBondContact O-N 3.5Å; M333-L337 HydrophobicContact CE-CD2 3.81Å; M333-L337 VanDerWaalsContact O-CB 3.31Å; M333-L337 WeakPolarHBondContact O-CB 3.44Å; M333-L337 PolarHBondContact O-N 3.43Å; M333-L337 HydrophobicContact SD-CB 4.42Å; M333-L337 HydrophobicContact SD-CD2 3.63Å; M333-L338 HydrophobicContact CE-CD1 4.26Å; M333-L338 HydrophobicContact CE-CD2 3.7Å; M333-L338 HydrophobicContact CE-CG 3.89Å; M333-L338 HydrophobicContact CG-CD1 4.38Å; M333-L338 HydrophobicContact CG-CG 4.39Å; M333-L338 PolarHBondContact O-N 3.36Å; M333-V384 HydrophobicContact CB-CG1 4.35Å; M333-V384 HydrophobicContact CG-CG2 4Å; M333-V384 HydrophobicContact SD-CG2 4.44Å; M333-L389 HydrophobicContact CE-CB 4.36Å; M333-L389 HydrophobicContact CE-CD2 3.61Å; M333-L389 HydrophobicContact CE-CG 3.67Å; M333-Q390 HydrophobicContact SD-CB 4.35Å; M333-L393 HydrophobicContact CE-CD1 3.38Å; M333-L393 HydrophobicContact CE-CG 4.39Å
334	R	90.4	Very high	88.5	Confident	22 Å²	22	44 Å²	44	8%	0.083	24%	0.243	C	C	.	.	I	π-helix	trans	-65	-57.6	-179	-174.5	-161.2	-168.1	-164.2	2.7	111.5	N317 Y324 L330 S331 E332 L339 V373 D374	N317-R334 PolarHBondContact OD1-NH2 3.41Å; Y324-R334 HydrophobicContact CD1-CB 4.15Å; Y324-R334 HydrophobicContact CD1-CG 4.48Å; Y324-R334 HydrophobicContact CE1-CB 3.76Å; Y324-R334 HydrophobicContact CE1-CG 3.99Å; L330-R334 VanDerWaalsContact O-CB 3.24Å; L330-R334 WeakPolarHBondContact O-CB 3.2Å; L330-R334 PolarHBondContact O-N 2.73Å; S331-R334 PolarHBondContact O-N 3.25Å; E332-R334 PolarHBondContact O-N 2.86Å; R334-L339 WeakPolarHBondContact O-CB 3.39Å; R334-L339 PolarHBondContact O-N 3.01Å; R334-V373 HydrophobicContact CG-CG1 3.73Å; R334-D374 IonicContact CZ-OD1 3.3Å; R334-D374 IonicContact NE-OD1 3.3Å; R334-D374 PolarHBondContact NE-OD1 3.21Å; R334-D374 IonicContact NH2-OD1 3.42Å; R334-D374 PolarHBondContact NH2-OD1 3.23Å; R334-D374 IonicContact NH2-OD2 3.32Å; R334-D374 PolarHBondContact NH2-OD2 3.22Å
335	V	83.8	Confident	88.9	Confident	48 Å²	48	43.6 Å²	43.6	29%	0.291	24%	0.243	S	C	.	.	I	π-helix	trans	-78.5	-48.3	-170.1	178.9	0	0	0	0	111.4	S331 L431	S331-V335 WeakPolarHBondContact O-CB 3.09Å; S331-V335 WeakPolarHBondContact O-CG2 2.93Å; S331-V335 PolarHBondContact O-N 3.22Å; V335-L431 HydrophobicContact CG1-CD1 4.47Å; V335-L431 WeakPolarHBondContact O-CD1 3.37Å
336	H	81.6	Confident	89.2	Confident	111 Å²	111	41.6 Å²	41.6	51%	0.514	23%	0.226	S	C	.	.	I	π-helix	trans	-87	-15.8	-172.4	-63.6	-61	0	0	0	113.9	E332 Q340	E332-H336 WeakPolarHBondContact O-CA 3.44Å; E332-H336 VanDerWaalsContact O-CB 3.28Å; E332-H336 WeakPolarHBondContact O-CB 3.38Å; E332-H336 PolarHBondContact O-N 2.9Å; H336-Q340 PolarHBondContact O-OE1 3.02Å
337	L	91.4	Very high	89.7	Confident	6 Å²	6	35.5 Å²	35.5	3%	0.031	19%	0.194	C	C	.	.	I	π-helix	trans	-120.5	-64.1	-176.9	-154.9	64.8	0	0	0	112.2	M333 L339 Q340 M341 Q390 L393 L394 L397	M333-L337 HydrophobicContact CE-CD2 3.81Å; M333-L337 VanDerWaalsContact O-CB 3.31Å; M333-L337 WeakPolarHBondContact O-CB 3.44Å; M333-L337 PolarHBondContact O-N 3.43Å; M333-L337 HydrophobicContact SD-CB 4.42Å; M333-L337 HydrophobicContact SD-CD2 3.63Å; L337-L339 PolarHBondContact O-N 3.47Å; L337-Q340 PolarHBondContact O-N 3.2Å; L337-M341 HydrophobicContact CG-SD 4.3Å; L337-M341 WeakPolarHBondContact O-CB 3.26Å; L337-M341 VanDerWaalsContact O-CG 3.23Å; L337-M341 WeakPolarHBondContact O-CG 3.35Å; L337-M341 PolarHBondContact O-N 3.42Å; L337-Q390 HydrophobicContact CD2-CB 4.26Å; L337-Q390 HydrophobicContact CD2-CG 4.07Å; L337-L393 HydrophobicContact CD2-CB 3.57Å; L337-L393 HydrophobicContact CD2-CD1 4.19Å; L337-L393 HydrophobicContact CD2-CG 4.42Å; L337-L393 HydrophobicContact CG-CB 4.07Å; L337-L394 HydrophobicContact CD1-CD2 3.65Å; L337-L394 HydrophobicContact CD1-CG 3.93Å; L337-L397 HydrophobicContact CD1-CB 4.38Å; L337-L397 HydrophobicContact CD1-CD2 3.73Å
338	L	92.6	Very high	90	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.181	C	C	.	.	I	π-helix	trans	-67.9	-40.1	-172.3	-64.7	-174.7	0	0	0	112.8	M333 M341 N342 L369 V373 Y376 L393	M333-L338 HydrophobicContact CE-CD1 4.26Å; M333-L338 HydrophobicContact CE-CD2 3.7Å; M333-L338 HydrophobicContact CE-CG 3.89Å; M333-L338 HydrophobicContact CG-CD1 4.38Å; M333-L338 HydrophobicContact CG-CG 4.39Å; M333-L338 PolarHBondContact O-N 3.36Å; L338-M341 PolarHBondContact O-N 3.34Å; L338-N342 WeakPolarHBondContact O-CB 3.17Å; L338-N342 PolarHBondContact O-N 2.97Å; L338-L369 HydrophobicContact CD2-CB 3.87Å; L338-V373 HydrophobicContact CB-CB 4.37Å; L338-V373 HydrophobicContact CB-CG1 3.83Å; L338-V373 HydrophobicContact CB-CG2 4.32Å; L338-V373 WeakPolarHBondContact CD1-O 3.31Å; L338-Y376 HydrophobicContact CD1-CE1 4.1Å; L338-Y376 WeakPolarHBondContact CD1-OH 3.47Å; L338-L393 HydrophobicContact CD2-CD1 3.63Å
339	L	90.8	Very high	90.1	Very high	25 Å²	25	29.5 Å²	29.5	13%	0.131	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-43.6	175.5	-177.8	61.5	0	0	0	112.2	R334 L337 N342 H343 L431	R334-L339 WeakPolarHBondContact O-CB 3.39Å; R334-L339 PolarHBondContact O-N 3.01Å; L337-L339 PolarHBondContact O-N 3.47Å; L339-N342 WeakPolarHBondContact O-CB 3.16Å; L339-N342 PolarHBondContact O-N 3.45Å; L339-H343 PolarHBondContact O-CD2 3.11Å; L339-H343 PolarHBondContact O-N 3.27Å; L339-H343 VanDerWaalsContact O-N 3.16Å; L339-L431 HydrophobicContact CB-CD1 4.49Å; L339-L431 HydrophobicContact CD2-CD1 3.99Å; L339-L431 HydrophobicContact CD2-CD2 4.03Å; L339-L431 HydrophobicContact CG-CD1 4.28Å; L339-L431 HydrophobicContact CG-CD2 4.3Å
340	Q	92.6	Very high	90.1	Very high	40 Å²	40	31.5 Å²	31.5	19%	0.187	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-45.6	174.6	-68.2	-163.7	-48.5	0	0	111.3	H336 L337 N342 H343 V344 L397 F429 L431	H336-Q340 PolarHBondContact O-OE1 3.02Å; L337-Q340 PolarHBondContact O-N 3.2Å; Q340-N342 VanDerWaalsContact C-N 3.34Å; Q340-N342 PolarHBondContact O-N 2.98Å; Q340-H343 PolarHBondContact O-N 3.05Å; Q340-V344 VanDerWaalsContact O-CG2 3.32Å; Q340-V344 WeakPolarHBondContact O-CG2 3.47Å; Q340-V344 PolarHBondContact O-N 3.26Å; Q340-L397 HydrophobicContact CB-CD1 3.94Å; Q340-L397 HydrophobicContact CB-CD2 4.02Å; Q340-F429 HydrophobicContact CB-CB 4.5Å; Q340-F429 PolarHBondContact NE2-O 3.08Å; Q340-L431 HydrophobicContact CG-CD1 3.44Å; Q340-L431 VanDerWaalsContact CG-CD1 3.44Å; Q340-L431 HydrophobicContact CG-CG 3.85Å
341	M	92.4	Very high	90.3	Very high	9 Å²	9	32 Å²	32	4%	0.044	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-40.6	176.8	-76	-177.4	73	0	0	112.4	L337 L338 H343 V344 A345 L363 F370 L393 V396 L397	L337-M341 HydrophobicContact CG-SD 4.3Å; L337-M341 WeakPolarHBondContact O-CB 3.26Å; L337-M341 VanDerWaalsContact O-CG 3.23Å; L337-M341 WeakPolarHBondContact O-CG 3.35Å; L337-M341 PolarHBondContact O-N 3.42Å; L338-M341 PolarHBondContact O-N 3.34Å; M341-H343 VanDerWaalsContact C-N 3.32Å; M341-H343 PolarHBondContact O-N 2.98Å; M341-V344 PolarHBondContact O-N 3.44Å; M341-A345 WeakPolarHBondContact O-CB 3.41Å; M341-A345 PolarHBondContact O-N 3.3Å; M341-L363 HydrophobicContact CE-CD1 3.86Å; M341-L363 HydrophobicContact CE-CD2 3.56Å; M341-L363 HydrophobicContact CE-CG 4.37Å; M341-F370 HydrophobicContact CB-CB 3.98Å; M341-L393 HydrophobicContact CE-CD2 4.17Å; M341-L393 HydrophobicContact SD-CB 3.87Å; M341-L393 HydrophobicContact SD-CD1 3.89Å; M341-L393 HydrophobicContact SD-CD2 4.42Å; M341-L393 HydrophobicContact SD-CG 4.28Å; M341-V396 HydrophobicContact CE-CB 4.46Å; M341-V396 HydrophobicContact CE-CG1 4.32Å; M341-L397 HydrophobicContact CG-CB 3.91Å; M341-L397 HydrophobicContact CG-CD1 3.77Å; M341-L397 HydrophobicContact CG-CG 4.27Å
342	N	92	Very high	90.5	Very high	35 Å²	35	37 Å²	37	19%	0.187	19%	0.19	C	C	.	.	H	α-helix	trans	-56	-48.4	175	177.7	-91.4	0	0	0	111	L338 L339 Q340 A345 A346 F370 V373	L338-N342 WeakPolarHBondContact O-CB 3.17Å; L338-N342 PolarHBondContact O-N 2.97Å; L339-N342 WeakPolarHBondContact O-CB 3.16Å; L339-N342 PolarHBondContact O-N 3.45Å; Q340-N342 VanDerWaalsContact C-N 3.34Å; Q340-N342 PolarHBondContact O-N 2.98Å; N342-A345 PolarHBondContact O-N 3.44Å; N342-A346 PolarHBondContact O-N 2.75Å; N342-F370 WeakPolarHBondContact CA-O 3.46Å; N342-F370 VanDerWaalsContact CB-O 3.22Å; N342-F370 WeakPolarHBondContact CB-O 3.43Å; N342-F370 PolarHBondContact ND2-O 3.32Å; N342-V373 HydrophobicContact CB-CG2 3.93Å
343	H	91.7	Very high	90.7	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.046	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-46.7	177.2	-71.8	-25.6	0	0	0	112.7	L339 Q340 M341 A345 A346 Y347 P428 F429	L339-H343 PolarHBondContact O-CD2 3.11Å; L339-H343 PolarHBondContact O-N 3.27Å; L339-H343 VanDerWaalsContact O-N 3.16Å; Q340-H343 PolarHBondContact O-N 3.05Å; M341-H343 VanDerWaalsContact C-N 3.32Å; M341-H343 PolarHBondContact O-N 2.98Å; H343-A345 VanDerWaalsContact C-N 3.34Å; H343-A345 PolarHBondContact O-N 2.98Å; H343-A346 WeakPolarHBondContact O-CB 3.42Å; H343-A346 PolarHBondContact O-N 2.93Å; H343-Y347 VanDerWaalsContact O-CD2 3.25Å; H343-Y347 WeakPolarHBondContact O-CD2 3.44Å; H343-P428 HydrophobicContact CB-CB 4.4Å; H343-P428 HydrophobicContact CB-CG 4.19Å; H343-P428 PolarHBondContact CD2-O 3.13Å; H343-F429 HydrophobicContact CB-CB 3.84Å
344	V	93.4	Very high	90.8	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.024	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-41.9	178.3	170.5	0	0	0	0	111.3	Q340 M341 A346 Y347 L348 L397 G400 I401 F429	Q340-V344 VanDerWaalsContact O-CG2 3.32Å; Q340-V344 WeakPolarHBondContact O-CG2 3.47Å; Q340-V344 PolarHBondContact O-N 3.26Å; M341-V344 PolarHBondContact O-N 3.44Å; V344-A346 PolarHBondContact O-N 3.06Å; V344-Y347 WeakPolarHBondContact O-CB 3.46Å; V344-Y347 PolarHBondContact O-N 3.48Å; V344-L348 HydrophobicContact CG1-CD1 3.83Å; V344-L348 HydrophobicContact CG1-CG 4.04Å; V344-L348 WeakPolarHBondContact O-CG 3.46Å; V344-L348 PolarHBondContact O-N 3.2Å; V344-L348 VanDerWaalsContact O-N 3.15Å; V344-L397 HydrophobicContact CB-CD1 4.49Å; V344-L397 HydrophobicContact CG2-CD1 3.97Å; V344-G400 VanDerWaalsContact CG1-C 3.47Å; V344-I401 HydrophobicContact CG2-CG1 3.89Å; V344-F429 HydrophobicContact CG2-CB 3.77Å; V344-F429 HydrophobicContact CG2-CD1 3.58Å; V344-F429 HydrophobicContact CG2-CD2 4.26Å; V344-F429 HydrophobicContact CG2-CE1 4.21Å; V344-F429 HydrophobicContact CG2-CG 3.61Å
345	A	91.7	Very high	90.9	Very high	4 Å²	4	48 Å²	48	3%	0.033	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-34.7	179.9	0	0	0	0	0	112.6	M341 N342 H343 Y347 L348 L349 L359 F370	M341-A345 WeakPolarHBondContact O-CB 3.41Å; M341-A345 PolarHBondContact O-N 3.3Å; N342-A345 PolarHBondContact O-N 3.44Å; H343-A345 VanDerWaalsContact C-N 3.34Å; H343-A345 PolarHBondContact O-N 2.98Å; A345-Y347 PolarHBondContact O-N 2.93Å; A345-L348 PolarHBondContact O-N 3.14Å; A345-L349 HydrophobicContact CB-CD1 4.44Å; A345-L349 VanDerWaalsContact O-CB 3.27Å; A345-L349 WeakPolarHBondContact O-CB 3.41Å; A345-L349 WeakPolarHBondContact O-CG 3.34Å; A345-L349 PolarHBondContact O-N 3.19Å; A345-L359 HydrophobicContact CB-CD2 3.99Å; A345-F370 HydrophobicContact CB-CD2 3.34Å; A345-F370 HydrophobicContact CB-CE2 3.4Å; A345-F370 VanDerWaalsContact CB-CE2 3.4Å; A345-F370 HydrophobicContact CB-CG 4.28Å; A345-F370 HydrophobicContact CB-CZ 4.34Å
346	A	89.2	Confident	91.2	Very high	52 Å²	52	46.1 Å²	46.1	43%	0.43	23%	0.232	S	C	.	.	H	α-helix	trans	-59.5	-34.9	176	0	0	0	0	0	112.8	N342 H343 V344 T350	N342-A346 PolarHBondContact O-N 2.75Å; H343-A346 WeakPolarHBondContact O-CB 3.42Å; H343-A346 PolarHBondContact O-N 2.93Å; V344-A346 PolarHBondContact O-N 3.06Å; A346-T350 PolarHBondContact O-OG1 3.12Å
347	Y	92.1	Very high	91.6	Very high	12 Å²	12	44.1 Å²	44.1	5%	0.047	23%	0.225	C	C	.	.	H	α-helix	trans	-74.6	-48.7	175	-68	-93.1	0	0	0	111.5	H343 V344 A345 T350 C351 V404 C410 K413 F415 Y427 P428 F429	H343-Y347 VanDerWaalsContact O-CD2 3.25Å; H343-Y347 WeakPolarHBondContact O-CD2 3.44Å; V344-Y347 WeakPolarHBondContact O-CB 3.46Å; V344-Y347 PolarHBondContact O-N 3.48Å; A345-Y347 PolarHBondContact O-N 2.93Å; Y347-T350 PolarHBondContact O-N 3.26Å; Y347-T350 PolarHBondContact O-OG1 3.05Å; Y347-C351 VanDerWaalsContact O-CB 3.27Å; Y347-C351 WeakPolarHBondContact O-CB 3.49Å; Y347-C351 PolarHBondContact O-N 2.92Å; Y347-V404 HydrophobicContact CD1-CG1 4.39Å; Y347-V404 HydrophobicContact CG-CG1 4.45Å; Y347-V404 HydrophobicContact CG-CG2 4.04Å; Y347-C410 HydrophobicContact CD1-CB 4.34Å; Y347-K413 HydrophobicContact CD1-CB 3.97Å; Y347-K413 HydrophobicContact CD1-CD 4.45Å; Y347-K413 HydrophobicContact CE1-CB 3.7Å; Y347-K413 WeakPolarHBondContact CE1-O 3.38Å; Y347-K413 PolarHBondContact OH-O 3.05Å; Y347-F415 WeakPolarHBondContact OH-CE2 3.46Å; Y347-Y427 AromaticContact CE1-CD1 3.89Å; Y347-Y427 HydrophobicContact CE1-CD1 3.89Å; Y347-Y427 HydrophobicContact CE1-CE1 4.08Å; Y347-Y427 HydrophobicContact CE2-CD1 4.42Å; Y347-Y427 AromaticContact CZ-CD1 3.78Å; Y347-P428 HydrophobicContact CE2-CG 4Å; Y347-P428 WeakPolarHBondContact OH-CD 3.49Å; Y347-F429 HydrophobicContact CD2-CE1 4.42Å; Y347-F429 HydrophobicContact CE2-CD1 4.38Å; Y347-F429 HydrophobicContact CE2-CE1 4.33Å
348	L	92.6	Very high	91.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-44.9	-175.5	-60.1	-176.8	0	0	0	112.4	V344 A345 T350 C351 V355 L359 H403 V404	V344-L348 HydrophobicContact CG1-CD1 3.83Å; V344-L348 HydrophobicContact CG1-CG 4.04Å; V344-L348 WeakPolarHBondContact O-CG 3.46Å; V344-L348 PolarHBondContact O-N 3.2Å; V344-L348 VanDerWaalsContact O-N 3.15Å; A345-L348 PolarHBondContact O-N 3.14Å; L348-T350 PolarHBondContact O-N 3.35Å; L348-C351 PolarHBondContact O-N 3.07Å; L348-V355 HydrophobicContact CB-CG1 4.17Å; L348-V355 HydrophobicContact CD2-CG1 3.72Å; L348-V355 HydrophobicContact CG-CG1 4.42Å; L348-L359 HydrophobicContact CB-CD2 3.99Å; L348-L359 HydrophobicContact CD1-CB 4.38Å; L348-L359 HydrophobicContact CD1-CD1 3.86Å; L348-L359 HydrophobicContact CD1-CD2 3.92Å; L348-L359 HydrophobicContact CD1-CG 4.27Å; L348-H403 HydrophobicContact CD2-CB 3.87Å; L348-H403 WeakPolarHBondContact CD2-CD2 3.33Å; L348-V404 HydrophobicContact CD2-CG2 4.31Å
349	L	91.1	Very high	91.6	Very high	67 Å²	67	47.1 Å²	47.1	35%	0.351	24%	0.238	S	C	.	.	H	α-helix	trans	-65.2	-23.5	-179.4	-69	174.9	0	0	0	112.9	A345 A356 L359 F370	A345-L349 HydrophobicContact CB-CD1 4.44Å; A345-L349 VanDerWaalsContact O-CB 3.27Å; A345-L349 WeakPolarHBondContact O-CB 3.41Å; A345-L349 WeakPolarHBondContact O-CG 3.34Å; A345-L349 PolarHBondContact O-N 3.19Å; L349-A356 HydrophobicContact CD2-CB 4.2Å; L349-L359 HydrophobicContact CD2-CD2 4.2Å; L349-L359 HydrophobicContact CG-CD2 4.21Å; L349-F370 HydrophobicContact CD1-CE2 4.18Å
350	T	88.9	Confident	91.4	Very high	85 Å²	85	48.3 Å²	48.3	52%	0.521	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	3.3	179.4	62	0	0	0	0	113.1	A346 Y347 L348 K413	A346-T350 PolarHBondContact O-OG1 3.12Å; Y347-T350 PolarHBondContact O-N 3.26Å; Y347-T350 PolarHBondContact O-OG1 3.05Å; L348-T350 PolarHBondContact O-N 3.35Å; T350-K413 VanDerWaalsContact CB-NZ 3.35Å; T350-K413 PolarHBondContact O-NZ 3.27Å; T350-K413 PolarHBondContact OG1-NZ 3.47Å
351	C	91.5	Very high	91.2	Very high	22 Å²	22	53.6 Å²	53.6	15%	0.149	27%	0.267	C	S	.	.	S	Bend	trans	-82.8	-99.8	-177.3	180	0	0	0	0	111.7	Y347 L348 H403 C407 C410	Y347-C351 VanDerWaalsContact O-CB 3.27Å; Y347-C351 WeakPolarHBondContact O-CB 3.49Å; Y347-C351 PolarHBondContact O-N 2.92Å; L348-C351 PolarHBondContact O-N 3.07Å; C351-H403 PolarHBondContact SG-NE2 3.42Å; C351-C407 PolarHBondContact SG-SG 2.95Å; C351-C410 VanDerWaalsContact SG-SG 3.67Å
352	R	92.3	Very high	91.2	Very high	150 Å²	150	58.3 Å²	58.3	57%	0.566	29%	0.285	S	S	*	.			trans	-113.8	144.2	173.8	-64.4	179	-177.4	169.9	0.2	108.1	T354 V355 A356 L409	R352-T354 PolarHBondContact O-N 2.79Å; R352-V355 HydrophobicContact CB-CG2 4.12Å; R352-V355 WeakPolarHBondContact O-CB 3.11Å; R352-V355 PolarHBondContact O-N 2.74Å; R352-A356 PolarHBondContact O-N 3.31Å; R352-A356 VanDerWaalsContact O-N 3.1Å; R352-L409 HydrophobicContact CG-CD1 3.85Å
353	R	91.2	Very high	90.9	Very high	206 Å²	206	57 Å²	57	78%	0.777	28%	0.278	S	S	*	.	H	α-helix	trans	-53.5	-39.7	178.2	-173.5	173.7	-179.2	166.6	2.4	112.8	V355 A356 D357	R353-V355 VanDerWaalsContact C-N 3.28Å; R353-V355 PolarHBondContact O-N 2.64Å; R353-A356 PolarHBondContact O-N 3.48Å; R353-D357 IonicContact NE-OD2 3.51Å; R353-D357 WeakPolarHBondContact O-CB 3.46Å; R353-D357 VanDerWaalsContact O-CG 3.24Å; R353-D357 PolarHBondContact O-N 3.15Å
354	T	93.7	Very high	90.4	Very high	105 Å²	105	64.4 Å²	64.4	64%	0.644	31%	0.305	S	S	*	.	H	α-helix	trans	-59.5	-37	177.6	52.7	0	0	0	0	113.1	R352 E358	R352-T354 PolarHBondContact O-N 2.79Å; T354-E358 WeakPolarHBondContact O-CB 3.24Å; T354-E358 PolarHBondContact O-N 2.59Å; T354-E358 VanDerWaalsContact O-N 3.1Å
355	V	93.2	Very high	89.8	Confident	15 Å²	15	68 Å²	68	9%	0.091	33%	0.329	C	S	.	.	H	α-helix	trans	-76	-41.5	179.6	-179.3	0	0	0	0	110.5	L348 R352 R353 E358 L359 H403	L348-V355 HydrophobicContact CB-CG1 4.17Å; L348-V355 HydrophobicContact CD2-CG1 3.72Å; L348-V355 HydrophobicContact CG-CG1 4.42Å; R352-V355 HydrophobicContact CB-CG2 4.12Å; R352-V355 WeakPolarHBondContact O-CB 3.11Å; R352-V355 PolarHBondContact O-N 2.74Å; R353-V355 VanDerWaalsContact C-N 3.28Å; R353-V355 PolarHBondContact O-N 2.64Å; V355-E358 PolarHBondContact O-N 3.15Å; V355-L359 PolarHBondContact O-N 3.3Å; V355-H403 WeakPolarHBondContact CG2-CE1 3.46Å
356	A	89.9	Confident	89.5	Confident	10 Å²	10	68.8 Å²	68.8	8%	0.083	33%	0.331	C	S	.	.	H	α-helix	trans	-62.2	-43.9	175.4	0	0	0	0	0	111.8	L349 R352 R353 L359 N360	L349-A356 HydrophobicContact CD2-CB 4.2Å; R352-A356 PolarHBondContact O-N 3.31Å; R352-A356 VanDerWaalsContact O-N 3.1Å; R353-A356 PolarHBondContact O-N 3.48Å; A356-L359 PolarHBondContact O-N 3.43Å; A356-N360 PolarHBondContact O-N 3.49Å; A356-N360 PolarHBondContact O-ND2 3.01Å
357	D	90	Very high	89.2	Confident	69 Å²	69	67.8 Å²	67.8	37%	0.369	32%	0.319	S	S	.	.	H	α-helix	trans	-65	-39.9	176.7	-69.5	-20.4	0	0	0	111.4	R353 N360 K361	R353-D357 IonicContact NE-OD2 3.51Å; R353-D357 WeakPolarHBondContact O-CB 3.46Å; R353-D357 VanDerWaalsContact O-CG 3.24Å; R353-D357 PolarHBondContact O-N 3.15Å; D357-N360 PolarHBondContact O-N 3.24Å; D357-K361 WeakPolarHBondContact O-CB 3.29Å; D357-K361 VanDerWaalsContact O-CG 3.26Å; D357-K361 WeakPolarHBondContact O-CG 3.25Å; D357-K361 PolarHBondContact O-N 3.43Å
358	E	92.3	Very high	88.8	Confident	63 Å²	63	68.5 Å²	68.5	29%	0.294	32%	0.322	S	S	.	.	H	α-helix	trans	-64.2	-43	176.2	-176	60.7	-162.7	0	0	112.2	T354 V355 K361 R362 F399	T354-E358 WeakPolarHBondContact O-CB 3.24Å; T354-E358 PolarHBondContact O-N 2.59Å; T354-E358 VanDerWaalsContact O-N 3.1Å; V355-E358 PolarHBondContact O-N 3.15Å; E358-K361 PolarHBondContact O-N 3.25Å; E358-R362 WeakPolarHBondContact O-CG 3.35Å; E358-R362 PolarHBondContact O-N 3.41Å; E358-R362 IonicContact OE1-CZ 3.08Å; E358-R362 VanDerWaalsContact OE1-CZ 3.32Å; E358-R362 IonicContact OE1-NE 3.93Å; E358-R362 PolarHBondContact OE1-NE 3.16Å; E358-R362 IonicContact OE1-NH2 3.6Å; E358-R362 PolarHBondContact OE1-NH2 3.35Å; E358-F399 HydrophobicContact CB-CZ 4.43Å; E358-F399 HydrophobicContact CG-CE1 4.27Å; E358-F399 HydrophobicContact CG-CE2 4.48Å; E358-F399 HydrophobicContact CG-CZ 3.83Å
359	L	90.5	Very high	88.6	Confident	6 Å²	6	68.6 Å²	68.6	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-58.8	-49.4	173.7	178.6	68.1	0	0	0	111.3	A345 L348 L349 V355 A356 K361 R362 L363 V396	A345-L359 HydrophobicContact CB-CD2 3.99Å; L348-L359 HydrophobicContact CB-CD2 3.99Å; L348-L359 HydrophobicContact CD1-CB 4.38Å; L348-L359 HydrophobicContact CD1-CD1 3.86Å; L348-L359 HydrophobicContact CD1-CD2 3.92Å; L348-L359 HydrophobicContact CD1-CG 4.27Å; L349-L359 HydrophobicContact CD2-CD2 4.2Å; L349-L359 HydrophobicContact CG-CD2 4.21Å; V355-L359 PolarHBondContact O-N 3.3Å; A356-L359 PolarHBondContact O-N 3.43Å; L359-K361 VanDerWaalsContact C-N 3.32Å; L359-K361 PolarHBondContact O-N 2.87Å; L359-R362 PolarHBondContact O-N 3.29Å; L359-L363 HydrophobicContact CD1-CD1 3.61Å; L359-L363 HydrophobicContact CD1-CG 4.39Å; L359-L363 HydrophobicContact CG-CD1 4Å; L359-L363 PolarHBondContact O-N 3.01Å; L359-L363 VanDerWaalsContact O-N 3.16Å; L359-V396 HydrophobicContact CD1-CG1 3.96Å
360	N	86	Confident	88.2	Confident	51 Å²	51	65.7 Å²	65.7	27%	0.273	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-40.6	179.7	-73.5	-43.5	0	0	0	111.6	A356 D357 L363 W364	A356-N360 PolarHBondContact O-N 3.49Å; A356-N360 PolarHBondContact O-ND2 3.01Å; D357-N360 PolarHBondContact O-N 3.24Å; N360-L363 PolarHBondContact O-N 3.49Å; N360-W364 WeakPolarHBondContact O-CB 3.31Å; N360-W364 PolarHBondContact O-N 3.07Å
361	K	90	Very high	88	Confident	150 Å²	150	68 Å²	68	65%	0.652	31%	0.306	S	S	*	.	H	α-helix	trans	-62.1	-42.8	176	-75.8	172.3	-174.3	176.2	0	112.7	D357 E358 L359 L363	D357-K361 WeakPolarHBondContact O-CB 3.29Å; D357-K361 VanDerWaalsContact O-CG 3.26Å; D357-K361 WeakPolarHBondContact O-CG 3.25Å; D357-K361 PolarHBondContact O-N 3.43Å; E358-K361 PolarHBondContact O-N 3.25Å; L359-K361 VanDerWaalsContact C-N 3.32Å; L359-K361 PolarHBondContact O-N 2.87Å; K361-L363 VanDerWaalsContact C-N 3.27Å; K361-L363 PolarHBondContact O-N 3.29Å
362	R	90.8	Very high	87.7	Confident	109 Å²	109	71.9 Å²	71.9	41%	0.411	32%	0.322	S	S	.	.	H	α-helix	trans	-66.5	-29.6	179.8	-72.5	176.7	-175.4	-128.5	-3.5	113	E358 L359 V396	E358-R362 WeakPolarHBondContact O-CG 3.35Å; E358-R362 PolarHBondContact O-N 3.41Å; E358-R362 IonicContact OE1-CZ 3.08Å; E358-R362 VanDerWaalsContact OE1-CZ 3.32Å; E358-R362 IonicContact OE1-NE 3.93Å; E358-R362 PolarHBondContact OE1-NE 3.16Å; E358-R362 IonicContact OE1-NH2 3.6Å; E358-R362 PolarHBondContact OE1-NH2 3.35Å; L359-R362 PolarHBondContact O-N 3.29Å; R362-V396 HydrophobicContact CB-CG1 4.03Å; R362-V396 HydrophobicContact CB-CG2 4.03Å
363	L	85.9	Confident	87.5	Confident	8 Å²	8	65.6 Å²	65.6	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-99.3	-17.8	-174.9	-65	174.4	0	0	0	114	M341 L359 N360 K361 K366 D367 F370 L393 V396	M341-L363 HydrophobicContact CE-CD1 3.86Å; M341-L363 HydrophobicContact CE-CD2 3.56Å; M341-L363 HydrophobicContact CE-CG 4.37Å; L359-L363 HydrophobicContact CD1-CD1 3.61Å; L359-L363 HydrophobicContact CD1-CG 4.39Å; L359-L363 HydrophobicContact CG-CD1 4Å; L359-L363 PolarHBondContact O-N 3.01Å; L359-L363 VanDerWaalsContact O-N 3.16Å; N360-L363 PolarHBondContact O-N 3.49Å; K361-L363 VanDerWaalsContact C-N 3.27Å; K361-L363 PolarHBondContact O-N 3.29Å; L363-K366 CarbonylContact O-C 3.48Å; L363-K366 VanDerWaalsContact O-CA 3.31Å; L363-K366 WeakPolarHBondContact O-CA 3.45Å; L363-K366 PolarHBondContact O-N 3.41Å; L363-D367 HydrophobicContact CB-CB 4.32Å; L363-D367 PolarHBondContact O-N 2.96Å; L363-F370 HydrophobicContact CD1-CD1 3.41Å; L363-F370 VanDerWaalsContact CD1-CD1 3.41Å; L363-F370 HydrophobicContact CD1-CE1 3.46Å; L363-F370 VanDerWaalsContact CD1-CE1 3.46Å; L363-F370 HydrophobicContact CD1-CG 4.36Å; L363-L393 HydrophobicContact CD2-CD2 3.6Å; L363-V396 HydrophobicContact CD1-CG1 4.28Å; L363-V396 HydrophobicContact CD2-CB 4.26Å; L363-V396 HydrophobicContact CD2-CG1 3.82Å; L363-V396 HydrophobicContact CD2-CG2 4.25Å; L363-V396 HydrophobicContact CG-CG1 3.97Å
364	W	81.5	Confident	87.2	Confident	164 Å²	164	56.6 Å²	56.6	62%	0.621	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	132.6	178.4	-174.9	-102.2	0	0	0	112	W197 N360	W197-W364 HydrophobicContact CH2-CH2 4.46Å; N360-W364 WeakPolarHBondContact O-CB 3.31Å; N360-W364 PolarHBondContact O-N 3.07Å
365	P	81.6	Confident	87	Confident	80 Å²	80	52.6 Å²	52.6	52%	0.519	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	cis	-95.9	17.7	3.8	39	-37	0	0	0	114.8
366	K	84.3	Confident	86.4	Confident	20 Å²	20	51.9 Å²	51.9	9%	0.087	24%	0.238	C	C	.	.			trans	-104.8	31.5	-174.5	-61.5	-171.3	173.9	-69.4	0	113.3	L363 Y368 L369 D380 L389	L363-K366 CarbonylContact O-C 3.48Å; L363-K366 VanDerWaalsContact O-CA 3.31Å; L363-K366 WeakPolarHBondContact O-CA 3.45Å; L363-K366 PolarHBondContact O-N 3.41Å; K366-Y368 HydrophobicContact CB-CE1 4.3Å; K366-Y368 HydrophobicContact CG-CE1 4.38Å; K366-Y368 PolarHBondContact NZ-OH 3.43Å; K366-Y368 PolarHBondContact O-N 3.03Å; K366-L369 HydrophobicContact CB-CD1 3.79Å; K366-L369 HydrophobicContact CB-CG 4.23Å; K366-L369 HydrophobicContact CD-CD1 4.12Å; K366-L369 WeakPolarHBondContact O-CB 3.21Å; K366-L369 PolarHBondContact O-N 3.28Å; K366-D380 WeakPolarHBondContact CD-OD1 3.47Å; K366-D380 VanDerWaalsContact CE-OD1 3.31Å; K366-D380 WeakPolarHBondContact CE-OD1 3.38Å; K366-D380 IonicContact NZ-OD1 3.66Å; K366-D380 PolarHBondContact NZ-OD1 2.78Å; K366-L389 HydrophobicContact CD-CD1 4.26Å
367	D	83.8	Confident	86.1	Confident	32 Å²	32	51.4 Å²	51.4	17%	0.171	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.9	-179.9	72.8	-58.8	0	0	0	113	L363 L369 F370 R371	L363-D367 HydrophobicContact CB-CB 4.32Å; L363-D367 PolarHBondContact O-N 2.96Å; D367-L369 PolarHBondContact O-N 3.1Å; D367-F370 HydrophobicContact CB-CE1 3.78Å; D367-F370 WeakPolarHBondContact O-CD1 3.42Å; D367-F370 WeakPolarHBondContact O-CE1 3.5Å; D367-R371 WeakPolarHBondContact O-CG 3.42Å; D367-R371 IonicContact OD2-CZ 3.81Å; D367-R371 IonicContact OD2-NE 3.47Å; D367-R371 PolarHBondContact OD2-NE 3.1Å; D367-R371 IonicContact OD2-NH2 3.01Å; D367-R371 PolarHBondContact OD2-NH2 3.08Å; D367-R371 VanDerWaalsContact OD2-NH2 3.08Å
368	Y	84.2	Confident	85.4	Confident	26 Å²	26	50.6 Å²	50.6	10%	0.102	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-30.3	171.4	58.7	-95.3	0	0	0	113.4	P312 K366 F370 R371 E372 S377 D380	P312-Y368 HydrophobicContact CB-CD1 4.08Å; P312-Y368 HydrophobicContact CB-CD2 3.51Å; P312-Y368 HydrophobicContact CB-CE1 4.02Å; P312-Y368 HydrophobicContact CB-CE2 3.51Å; P312-Y368 HydrophobicContact CB-CG 3.81Å; P312-Y368 HydrophobicContact CG-CD1 3.8Å; P312-Y368 HydrophobicContact CG-CD2 4.13Å; P312-Y368 HydrophobicContact CG-CE1 3.91Å; P312-Y368 HydrophobicContact CG-CE2 4.28Å; P312-Y368 HydrophobicContact CG-CG 3.89Å; K366-Y368 HydrophobicContact CB-CE1 4.3Å; K366-Y368 HydrophobicContact CG-CE1 4.38Å; K366-Y368 PolarHBondContact NZ-OH 3.43Å; K366-Y368 PolarHBondContact O-N 3.03Å; Y368-F370 VanDerWaalsContact C-N 3.29Å; Y368-F370 PolarHBondContact O-N 3.34Å; Y368-R371 PolarHBondContact O-N 2.98Å; Y368-E372 PolarHBondContact O-N 3.37Å; Y368-S377 PolarHBondContact OH-OG 3.02Å; Y368-D380 WeakPolarHBondContact CE2-OD2 3.18Å; Y368-D380 PolarHBondContact OH-OD2 3.15Å
369	L	87.7	Confident	85.1	Confident	2 Å²	2	49 Å²	49	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-35.9	-173	-72.7	175.9	0	0	0	113.3	L338 K366 D367 Y376 L389 L393	L338-L369 HydrophobicContact CD2-CB 3.87Å; K366-L369 HydrophobicContact CB-CD1 3.79Å; K366-L369 HydrophobicContact CB-CG 4.23Å; K366-L369 HydrophobicContact CD-CD1 4.12Å; K366-L369 WeakPolarHBondContact O-CB 3.21Å; K366-L369 PolarHBondContact O-N 3.28Å; D367-L369 PolarHBondContact O-N 3.1Å; L369-Y376 HydrophobicContact CD2-CD1 4.37Å; L369-L389 HydrophobicContact CD1-CD1 4.02Å; L369-L389 HydrophobicContact CD1-CD2 4.08Å; L369-L389 HydrophobicContact CD1-CG 4.45Å; L369-L393 HydrophobicContact CD1-CD1 4.2Å
370	F	83.6	Confident	85	Confident	7 Å²	7	48.7 Å²	48.7	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-90.1	-18.9	176.8	75.9	-93.3	0	0	0	112.7	M341 N342 A345 L349 L363 D367 Y368	M341-F370 HydrophobicContact CB-CB 3.98Å; N342-F370 WeakPolarHBondContact CA-O 3.46Å; N342-F370 VanDerWaalsContact CB-O 3.22Å; N342-F370 WeakPolarHBondContact CB-O 3.43Å; N342-F370 PolarHBondContact ND2-O 3.32Å; A345-F370 HydrophobicContact CB-CD2 3.34Å; A345-F370 HydrophobicContact CB-CE2 3.4Å; A345-F370 VanDerWaalsContact CB-CE2 3.4Å; A345-F370 HydrophobicContact CB-CG 4.28Å; A345-F370 HydrophobicContact CB-CZ 4.34Å; L349-F370 HydrophobicContact CD1-CE2 4.18Å; L363-F370 HydrophobicContact CD1-CD1 3.41Å; L363-F370 VanDerWaalsContact CD1-CD1 3.41Å; L363-F370 HydrophobicContact CD1-CE1 3.46Å; L363-F370 VanDerWaalsContact CD1-CE1 3.46Å; L363-F370 HydrophobicContact CD1-CG 4.36Å; D367-F370 HydrophobicContact CB-CE1 3.78Å; D367-F370 WeakPolarHBondContact O-CD1 3.42Å; D367-F370 WeakPolarHBondContact O-CE1 3.5Å; Y368-F370 VanDerWaalsContact C-N 3.29Å; Y368-F370 PolarHBondContact O-N 3.34Å
371	R	83.6	Confident	84.8	Confident	134 Å²	134	48.5 Å²	48.5	51%	0.506	22%	0.221	S	C	.	.	H	α-helix	trans	-78.8	-42.9	178.4	-65.9	177.1	-169.8	-101.4	4	110.8	D367 Y368	D367-R371 WeakPolarHBondContact O-CG 3.42Å; D367-R371 IonicContact OD2-CZ 3.81Å; D367-R371 IonicContact OD2-NE 3.47Å; D367-R371 PolarHBondContact OD2-NE 3.1Å; D367-R371 IonicContact OD2-NH2 3.01Å; D367-R371 PolarHBondContact OD2-NH2 3.08Å; D367-R371 VanDerWaalsContact OD2-NH2 3.08Å; Y368-R371 PolarHBondContact O-N 2.98Å
372	E	84.7	Confident	84.5	Confident	103 Å²	103	47.6 Å²	47.6	48%	0.481	22%	0.219	S	C	.	.	S	Bend	trans	-125.2	90.8	178.8	-66.4	-174.3	-137.6	0	0	108.5	Y368 D374 L375	Y368-E372 PolarHBondContact O-N 3.37Å; E372-D374 PolarHBondContact O-N 3.18Å; E372-L375 HydrophobicContact CB-CB 3.64Å; E372-L375 HydrophobicContact CB-CD2 4.23Å; E372-L375 PolarHBondContact O-N 3.49Å
373	V	89	Confident	84.4	Confident	18 Å²	18	44 Å²	44	11%	0.109	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.6	-172.2	171.5	0	0	0	0	113.6	R334 L338 N342 Y376	R334-V373 HydrophobicContact CG-CG1 3.73Å; L338-V373 HydrophobicContact CB-CB 4.37Å; L338-V373 HydrophobicContact CB-CG1 3.83Å; L338-V373 HydrophobicContact CB-CG2 4.32Å; L338-V373 WeakPolarHBondContact CD1-O 3.31Å; N342-V373 HydrophobicContact CB-CG2 3.93Å; V373-Y376 PolarHBondContact O-OH 2.88Å
374	D	85.9	Confident	84.5	Confident	17 Å²	17	44 Å²	44	9%	0.091	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	0.1	-177.2	-60.5	-39.3	0	0	0	113.3	N315 L316 N317 Y324 R334 E372 Y376	N315-D374 CarbonylContact C-O 3.34Å; N315-D374 VanDerWaalsContact CA-O 3.24Å; N315-D374 WeakPolarHBondContact CA-O 2.93Å; L316-D374 PolarHBondContact N-O 2.88Å; N317-D374 HydrophobicContact CB-CB 3.74Å; N317-D374 VanDerWaalsContact CB-CG 3.47Å; N317-D374 VanDerWaalsContact CB-OD2 3.26Å; N317-D374 WeakPolarHBondContact CB-OD2 3.38Å; Y324-D374 PolarHBondContact OH-OD1 3.44Å; R334-D374 IonicContact CZ-OD1 3.3Å; R334-D374 IonicContact NE-OD1 3.3Å; R334-D374 PolarHBondContact NE-OD1 3.21Å; R334-D374 IonicContact NH2-OD1 3.42Å; R334-D374 PolarHBondContact NH2-OD1 3.23Å; R334-D374 IonicContact NH2-OD2 3.32Å; R334-D374 PolarHBondContact NH2-OD2 3.22Å; E372-D374 PolarHBondContact O-N 3.18Å; D374-Y376 VanDerWaalsContact C-CE2 3.49Å; D374-Y376 VanDerWaalsContact O-CD2 3.24Å; D374-Y376 WeakPolarHBondContact O-CD2 3.18Å; D374-Y376 WeakPolarHBondContact O-CE2 3.39Å
375	L	88	Confident	84.6	Confident	20 Å²	20	40.6 Å²	40.6	11%	0.105	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.3	-176.5	-173.1	71.1	0	0	0	112.3	P312 N315 E372	P312-L375 HydrophobicContact CB-CD2 3.75Å; P312-L375 HydrophobicContact CB-CG 3.85Å; P312-L375 HydrophobicContact CG-CD2 4.32Å; N315-L375 HydrophobicContact CB-CD1 4.27Å; E372-L375 HydrophobicContact CB-CB 3.64Å; E372-L375 HydrophobicContact CB-CD2 4.23Å; E372-L375 PolarHBondContact O-N 3.49Å
376	Y	81.9	Confident	84.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	154.9	-176.5	-62.5	-98.5	0	0	0	112.2	P312 L313 F314 L316 L330 L338 L369 V373 D374 D380 L381 V384	P312-Y376 CarbonylContact C-O 3.48Å; P312-Y376 WeakPolarHBondContact CA-O 3.49Å; L313-Y376 PolarHBondContact N-O 3.27Å; L313-Y376 VanDerWaalsContact N-O 3.08Å; F314-Y376 WeakPolarHBondContact CD2-O 3.21Å; F314-Y376 PolarHBondContact N-O 3.48Å; F314-Y376 PolarHBondContact O-N 2.87Å; L316-Y376 HydrophobicContact CD1-CD2 3.75Å; L316-Y376 HydrophobicContact CD1-CE2 3.87Å; L316-Y376 HydrophobicContact CD1-CG 4.39Å; L316-Y376 HydrophobicContact CG-CD2 3.76Å; L316-Y376 HydrophobicContact CG-CE2 4.19Å; L330-Y376 HydrophobicContact CD2-CE1 4.46Å; L338-Y376 HydrophobicContact CD1-CE1 4.1Å; L338-Y376 WeakPolarHBondContact CD1-OH 3.47Å; L369-Y376 HydrophobicContact CD2-CD1 4.37Å; V373-Y376 PolarHBondContact O-OH 2.88Å; D374-Y376 VanDerWaalsContact C-CE2 3.49Å; D374-Y376 VanDerWaalsContact O-CD2 3.24Å; D374-Y376 WeakPolarHBondContact O-CD2 3.18Å; D374-Y376 WeakPolarHBondContact O-CE2 3.39Å; Y376-D380 HydrophobicContact CD1-CB 3.92Å; Y376-L381 HydrophobicContact CD1-CD2 3.91Å; Y376-L381 HydrophobicContact CD2-CD2 4.43Å; Y376-L381 HydrophobicContact CG-CD2 3.76Å; Y376-V384 HydrophobicContact CE1-CG2 4.33Å
377	S	82.7	Confident	85.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.			trans	-96.1	164.4	161.4	69.6	0	0	0	0	110.9	A309 D310 R311 Y368 T379 D380 L381	A309-S377 VanDerWaalsContact O-CB 3.24Å; A309-S377 WeakPolarHBondContact O-CB 3.42Å; A309-S377 PolarHBondContact O-OG 2.92Å; D310-S377 VanDerWaalsContact C-CB 3.44Å; R311-S377 VanDerWaalsContact C-CB 3.45Å; R311-S377 VanDerWaalsContact O-CA 3.25Å; R311-S377 WeakPolarHBondContact O-CA 3.33Å; R311-S377 WeakPolarHBondContact O-CB 3.18Å; Y368-S377 PolarHBondContact OH-OG 3.02Å; S377-T379 PolarHBondContact O-N 3.37Å; S377-D380 VanDerWaalsContact CB-OD2 3.29Å; S377-D380 WeakPolarHBondContact CB-OD2 2.81Å; S377-D380 PolarHBondContact N-OD2 3.05Å; S377-D380 WeakPolarHBondContact O-CB 3.14Å; S377-D380 PolarHBondContact O-N 3.32Å; S377-D380 PolarHBondContact OG-N 3.44Å; S377-D380 VanDerWaalsContact OG-N 3.15Å; S377-D380 PolarHBondContact OG-OD2 2.64Å; S377-L381 WeakPolarHBondContact O-CG 3.35Å; S377-L381 PolarHBondContact O-N 3.12Å; S377-L381 VanDerWaalsContact O-N 3.11Å
378	L	75.4	Confident	85.5	Confident	53 Å²	53	45.1 Å²	45.1	28%	0.277	23%	0.232	S	C	.	.	H	α-helix	trans	-60.1	-38.7	175.2	-67.2	177.3	0	0	0	111.2	A309 F314 D380 L381 Q382	A309-L378 PolarHBondContact O-N 2.76Å; F314-L378 HydrophobicContact CD2-CD2 4.23Å; F314-L378 HydrophobicContact CD2-CG 4.43Å; F314-L378 HydrophobicContact CE1-CD2 4.33Å; F314-L378 HydrophobicContact CE2-CD1 4.45Å; F314-L378 HydrophobicContact CE2-CD2 3.59Å; F314-L378 HydrophobicContact CE2-CG 3.54Å; F314-L378 HydrophobicContact CZ-CD1 4.38Å; F314-L378 HydrophobicContact CZ-CD2 3.63Å; F314-L378 HydrophobicContact CZ-CG 3.84Å; L378-D380 VanDerWaalsContact C-N 3.3Å; L378-D380 PolarHBondContact O-N 3.09Å; L378-L381 PolarHBondContact O-N 3.11Å; L378-Q382 PolarHBondContact O-N 3.46Å; L378-Q382 VanDerWaalsContact O-N 3.08Å
379	T	85.4	Confident	85.8	Confident	29 Å²	29	44 Å²	44	18%	0.178	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-40.2	174.5	-55.8	0	0	0	0	111	A309 D310 S377 Q382 L383	A309-T379 PolarHBondContact O-N 3.42Å; A309-T379 PolarHBondContact O-OG1 3.01Å; A309-T379 VanDerWaalsContact O-OG1 3.05Å; D310-T379 WeakPolarHBondContact OD1-CB 3.41Å; D310-T379 WeakPolarHBondContact OD1-CG2 3.05Å; D310-T379 PolarHBondContact OD1-OG1 2.81Å; S377-T379 PolarHBondContact O-N 3.37Å; T379-Q382 PolarHBondContact O-N 3.49Å; T379-L383 HydrophobicContact CG2-CD1 3.96Å; T379-L383 HydrophobicContact CG2-CG 4.31Å; T379-L383 WeakPolarHBondContact O-CB 3.49Å; T379-L383 VanDerWaalsContact O-CG 3.23Å; T379-L383 WeakPolarHBondContact O-CG 3.41Å; T379-L383 PolarHBondContact O-N 3.24Å
380	D	88.9	Confident	86	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-46.1	177.2	-60	-43.8	0	0	0	111.4	K366 Y368 Y376 S377 L378 Q382 L383 V384 L389	K366-D380 WeakPolarHBondContact CD-OD1 3.47Å; K366-D380 VanDerWaalsContact CE-OD1 3.31Å; K366-D380 WeakPolarHBondContact CE-OD1 3.38Å; K366-D380 IonicContact NZ-OD1 3.66Å; K366-D380 PolarHBondContact NZ-OD1 2.78Å; Y368-D380 WeakPolarHBondContact CE2-OD2 3.18Å; Y368-D380 PolarHBondContact OH-OD2 3.15Å; Y376-D380 HydrophobicContact CD1-CB 3.92Å; S377-D380 VanDerWaalsContact CB-OD2 3.29Å; S377-D380 WeakPolarHBondContact CB-OD2 2.81Å; S377-D380 PolarHBondContact N-OD2 3.05Å; S377-D380 WeakPolarHBondContact O-CB 3.14Å; S377-D380 PolarHBondContact O-N 3.32Å; S377-D380 PolarHBondContact OG-N 3.44Å; S377-D380 VanDerWaalsContact OG-N 3.15Å; S377-D380 PolarHBondContact OG-OD2 2.64Å; L378-D380 VanDerWaalsContact C-N 3.3Å; L378-D380 PolarHBondContact O-N 3.09Å; D380-Q382 VanDerWaalsContact C-N 3.28Å; D380-Q382 PolarHBondContact O-N 2.96Å; D380-L383 CarbonylContact O-C 3.56Å; D380-L383 WeakPolarHBondContact O-CA 3.41Å; D380-L383 PolarHBondContact O-N 3.4Å; D380-V384 WeakPolarHBondContact O-CG2 3.1Å; D380-V384 PolarHBondContact O-N 3.23Å; D380-L389 HydrophobicContact CB-CD2 4.09Å
381	L	82.8	Confident	86.4	Confident	46 Å²	46	55.1 Å²	55.1	24%	0.241	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-39.2	-179.6	-61.8	176.8	0	0	0	111.5	L316 L330 Y376 S377 L378 V384 S385	L316-L381 HydrophobicContact CD1-CD2 3.82Å; L316-L381 HydrophobicContact CD2-CD2 4.47Å; L316-L381 HydrophobicContact CG-CD2 4.49Å; L330-L381 HydrophobicContact CD2-CD2 4.09Å; Y376-L381 HydrophobicContact CD1-CD2 3.91Å; Y376-L381 HydrophobicContact CD2-CD2 4.43Å; Y376-L381 HydrophobicContact CG-CD2 3.76Å; S377-L381 WeakPolarHBondContact O-CG 3.35Å; S377-L381 PolarHBondContact O-N 3.12Å; S377-L381 VanDerWaalsContact O-N 3.11Å; L378-L381 PolarHBondContact O-N 3.11Å; L381-V384 PolarHBondContact O-N 2.71Å; L381-S385 PolarHBondContact O-N 2.9Å
382	Q	83.7	Confident	86.8	Confident	132 Å²	132	55.5 Å²	55.5	62%	0.617	28%	0.278	S	S	*	.	H	α-helix	trans	-65.6	-38	171	-74.9	-177.2	-25.4	0	0	113.1	L378 T379 D380 S385 T386	L378-Q382 PolarHBondContact O-N 3.46Å; L378-Q382 VanDerWaalsContact O-N 3.08Å; T379-Q382 PolarHBondContact O-N 3.49Å; D380-Q382 VanDerWaalsContact C-N 3.28Å; D380-Q382 PolarHBondContact O-N 2.96Å; Q382-S385 PolarHBondContact O-OG 2.97Å; Q382-T386 WeakPolarHBondContact O-CG2 3.27Å; Q382-T386 PolarHBondContact O-N 2.92Å; Q382-T386 PolarHBondContact O-OG1 2.9Å
383	L	88.1	Confident	87.2	Confident	33 Å²	33	51 Å²	51	17%	0.173	26%	0.258	C	S	.	.	H	α-helix	trans	-73.9	-27.9	177.4	-68.6	173.6	0	0	0	112.6	T379 D380 T386 G387 K388 L389	T379-L383 HydrophobicContact CG2-CD1 3.96Å; T379-L383 HydrophobicContact CG2-CG 4.31Å; T379-L383 WeakPolarHBondContact O-CB 3.49Å; T379-L383 VanDerWaalsContact O-CG 3.23Å; T379-L383 WeakPolarHBondContact O-CG 3.41Å; T379-L383 PolarHBondContact O-N 3.24Å; D380-L383 CarbonylContact O-C 3.56Å; D380-L383 WeakPolarHBondContact O-CA 3.41Å; D380-L383 PolarHBondContact O-N 3.4Å; L383-T386 WeakPolarHBondContact CA-OG1 3.22Å; L383-T386 PolarHBondContact O-OG1 3Å; L383-G387 CarbonylContact O-C 3.58Å; L383-G387 PolarHBondContact O-N 3.09Å; L383-K388 HydrophobicContact CD2-CB 3.82Å; L383-K388 HydrophobicContact CD2-CD 4.01Å; L383-K388 PolarHBondContact O-N 2.82Å; L383-L389 HydrophobicContact CB-CB 3.78Å; L383-L389 HydrophobicContact CD1-CD1 4.42Å; L383-L389 PolarHBondContact O-N 3.42Å
384	V	88.6	Confident	87.4	Confident	9 Å²	9	53.1 Å²	53.1	6%	0.055	27%	0.268	C	S	.	.	H	α-helix	trans	-69.2	-47.4	171.6	172.8	0	0	0	0	109.8	A329 L330 M333 Y376 D380 L381 T386 G387 L389	A329-V384 HydrophobicContact CB-CG1 4.29Å; L330-V384 HydrophobicContact CD2-CB 4.43Å; L330-V384 HydrophobicContact CD2-CG1 3.81Å; L330-V384 HydrophobicContact CG-CG1 4.09Å; M333-V384 HydrophobicContact CB-CG1 4.35Å; M333-V384 HydrophobicContact CG-CG2 4Å; M333-V384 HydrophobicContact SD-CG2 4.44Å; Y376-V384 HydrophobicContact CE1-CG2 4.33Å; D380-V384 WeakPolarHBondContact O-CG2 3.1Å; D380-V384 PolarHBondContact O-N 3.23Å; L381-V384 PolarHBondContact O-N 2.71Å; V384-T386 PolarHBondContact O-N 3.01Å; V384-G387 PolarHBondContact O-N 3.18Å; V384-L389 HydrophobicContact CG2-CB 4.3Å; V384-L389 HydrophobicContact CG2-CD2 3.64Å
385	S	82.8	Confident	87.8	Confident	92 Å²	92	55.4 Å²	55.4	64%	0.643	28%	0.283	S	S	*	.	H	α-helix	trans	-62	-30	179.8	68.1	0	0	0	0	113	L381 Q382	L381-S385 PolarHBondContact O-N 2.9Å; Q382-S385 PolarHBondContact O-OG 2.97Å
386	T	87.9	Confident	88.1	Confident	82 Å²	82	55 Å²	55	50%	0.503	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-2.5	174.8	57.3	0	0	0	0	114.3	Q382 L383 V384 K388	Q382-T386 WeakPolarHBondContact O-CG2 3.27Å; Q382-T386 PolarHBondContact O-N 2.92Å; Q382-T386 PolarHBondContact O-OG1 2.9Å; L383-T386 WeakPolarHBondContact CA-OG1 3.22Å; L383-T386 PolarHBondContact O-OG1 3Å; V384-T386 PolarHBondContact O-N 3.01Å; T386-K388 PolarHBondContact O-N 2.98Å; T386-K388 VanDerWaalsContact O-N 3.09Å
387	G	88.9	Confident	88.7	Confident	19 Å²	19	55.5 Å²	55.5	20%	0.196	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	67	1.6	-175	0	0	0	0	0	115	L383 V384 L389 Q390 K391	L383-G387 CarbonylContact O-C 3.58Å; L383-G387 PolarHBondContact O-N 3.09Å; V384-G387 PolarHBondContact O-N 3.18Å; G387-L389 VanDerWaalsContact C-N 3.32Å; G387-L389 PolarHBondContact O-N 3.05Å; G387-Q390 PolarHBondContact O-N 3.48Å; G387-K391 PolarHBondContact O-N 3.32Å
388	K	91.9	Very high	89.3	Confident	126 Å²	126	61.4 Å²	61.4	55%	0.548	31%	0.312	S	S	.	.	H	α-helix	trans	-66	-34.9	-179.8	-72.1	179.9	-179.5	175.9	0	111.8	L383 T386 R392	L383-K388 HydrophobicContact CD2-CB 3.82Å; L383-K388 HydrophobicContact CD2-CD 4.01Å; L383-K388 PolarHBondContact O-N 2.82Å; T386-K388 PolarHBondContact O-N 2.98Å; T386-K388 VanDerWaalsContact O-N 3.09Å; K388-R392 WeakPolarHBondContact O-CG 3.47Å; K388-R392 PolarHBondContact O-N 3.41Å
389	L	89.8	Confident	90.2	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-44.4	179.6	-165.5	58.5	0	0	0	111.4	M333 K366 L369 D380 L383 V384 G387 K391 R392 L393	M333-L389 HydrophobicContact CE-CB 4.36Å; M333-L389 HydrophobicContact CE-CD2 3.61Å; M333-L389 HydrophobicContact CE-CG 3.67Å; K366-L389 HydrophobicContact CD-CD1 4.26Å; L369-L389 HydrophobicContact CD1-CD1 4.02Å; L369-L389 HydrophobicContact CD1-CD2 4.08Å; L369-L389 HydrophobicContact CD1-CG 4.45Å; D380-L389 HydrophobicContact CB-CD2 4.09Å; L383-L389 HydrophobicContact CB-CB 3.78Å; L383-L389 HydrophobicContact CD1-CD1 4.42Å; L383-L389 PolarHBondContact O-N 3.42Å; V384-L389 HydrophobicContact CG2-CB 4.3Å; V384-L389 HydrophobicContact CG2-CD2 3.64Å; G387-L389 VanDerWaalsContact C-N 3.32Å; G387-L389 PolarHBondContact O-N 3.05Å; L389-K391 PolarHBondContact O-N 2.96Å; L389-R392 PolarHBondContact O-N 2.92Å; L389-R392 VanDerWaalsContact O-N 3.14Å; L389-L393 HydrophobicContact CG-CD1 4.46Å; L389-L393 PolarHBondContact O-N 3.39Å
390	Q	91.5	Very high	90.7	Very high	80 Å²	80	60 Å²	60	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-58.1	-49.2	176.7	-178.7	-176.3	4.8	0	0	111.5	M333 L337 G387 R392 L393 L394	M333-Q390 HydrophobicContact SD-CB 4.35Å; L337-Q390 HydrophobicContact CD2-CB 4.26Å; L337-Q390 HydrophobicContact CD2-CG 4.07Å; G387-Q390 PolarHBondContact O-N 3.48Å; Q390-R392 PolarHBondContact O-N 3.49Å; Q390-L393 PolarHBondContact O-N 3.41Å; Q390-L393 VanDerWaalsContact O-N 3.13Å; Q390-L394 HydrophobicContact CG-CD1 3.83Å; Q390-L394 HydrophobicContact CG-CG 4.18Å; Q390-L394 WeakPolarHBondContact O-CG 3.48Å; Q390-L394 PolarHBondContact O-N 3.23Å
391	K	93.1	Very high	91	Very high	163 Å²	163	62 Å²	62	71%	0.709	31%	0.312	S	S	*	.	H	α-helix	trans	-58.5	-30.8	177.4	-70.5	-179	-179.9	-179.1	0	113.3	G387 L389 P395	G387-K391 PolarHBondContact O-N 3.32Å; L389-K391 PolarHBondContact O-N 2.96Å; K391-P395 WeakPolarHBondContact O-CD 3.41Å
392	R	91.5	Very high	91.7	Very high	142 Å²	142	64.4 Å²	64.4	54%	0.536	33%	0.325	S	S	.	.	H	α-helix	trans	-77.4	-36	176.8	-74.4	-177.1	66.7	-179.6	0.3	113.2	K388 L389 Q390	K388-R392 WeakPolarHBondContact O-CG 3.47Å; K388-R392 PolarHBondContact O-N 3.41Å; L389-R392 PolarHBondContact O-N 2.92Å; L389-R392 VanDerWaalsContact O-N 3.14Å; Q390-R392 PolarHBondContact O-N 3.49Å
393	L	92.7	Very high	92.3	Very high	10 Å²	10	59.7 Å²	59.7	5%	0.052	30%	0.303	C	S	.	.	H	α-helix	trans	-88.1	-28.8	-174.3	-68.3	-167.9	0	0	0	113.6	M333 L337 L338 M341 L363 L369 L389 Q390 V396 L397	M333-L393 HydrophobicContact CE-CD1 3.38Å; M333-L393 HydrophobicContact CE-CG 4.39Å; L337-L393 HydrophobicContact CD2-CB 3.57Å; L337-L393 HydrophobicContact CD2-CD1 4.19Å; L337-L393 HydrophobicContact CD2-CG 4.42Å; L337-L393 HydrophobicContact CG-CB 4.07Å; L338-L393 HydrophobicContact CD2-CD1 3.63Å; M341-L393 HydrophobicContact CE-CD2 4.17Å; M341-L393 HydrophobicContact SD-CB 3.87Å; M341-L393 HydrophobicContact SD-CD1 3.89Å; M341-L393 HydrophobicContact SD-CD2 4.42Å; M341-L393 HydrophobicContact SD-CG 4.28Å; L363-L393 HydrophobicContact CD2-CD2 3.6Å; L369-L393 HydrophobicContact CD1-CD1 4.2Å; L389-L393 HydrophobicContact CG-CD1 4.46Å; L389-L393 PolarHBondContact O-N 3.39Å; Q390-L393 PolarHBondContact O-N 3.41Å; Q390-L393 VanDerWaalsContact O-N 3.13Å; L393-V396 WeakPolarHBondContact O-CA 3.44Å; L393-V396 WeakPolarHBondContact O-CB 3.26Å; L393-V396 PolarHBondContact O-N 3.09Å; L393-L397 PolarHBondContact O-N 3.21Å
394	L	94.1	Very high	92.7	Very high	61 Å²	61	58.1 Å²	58.1	32%	0.319	30%	0.295	S	S	.	.	H	α-helix	trans	-51.6	-50.7	179.3	-83	167.7	0	0	0	113.6	L337 Q390 V396 L397 E398	L337-L394 HydrophobicContact CD1-CD2 3.65Å; L337-L394 HydrophobicContact CD1-CG 3.93Å; Q390-L394 HydrophobicContact CG-CD1 3.83Å; Q390-L394 HydrophobicContact CG-CG 4.18Å; Q390-L394 WeakPolarHBondContact O-CG 3.48Å; Q390-L394 PolarHBondContact O-N 3.23Å; L394-V396 PolarHBondContact O-N 3.42Å; L394-L397 WeakPolarHBondContact O-CB 3.35Å; L394-L397 PolarHBondContact O-N 2.95Å; L394-L397 VanDerWaalsContact O-N 3.12Å; L394-E398 WeakPolarHBondContact O-CG 3.44Å; L394-E398 PolarHBondContact O-N 3.01Å
395	P	94.6	Very high	93.1	Very high	65 Å²	65	62.4 Å²	62.4	42%	0.422	31%	0.312	S	S	.	.	H	α-helix	trans	-63.5	-26	178.2	-23.2	34.5	0	0	0	113.8	K391 F399	K391-P395 WeakPolarHBondContact O-CD 3.41Å; P395-F399 WeakPolarHBondContact O-CB 3.32Å; P395-F399 PolarHBondContact O-N 3.1Å; P395-F399 VanDerWaalsContact O-N 3.15Å
396	V	93.8	Very high	93.7	Very high	13 Å²	13	63.8 Å²	63.8	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-76.1	-39.4	177	-171.8	0	0	0	0	110.5	M341 L359 R362 L363 L393 L394 G400	M341-V396 HydrophobicContact CE-CB 4.46Å; M341-V396 HydrophobicContact CE-CG1 4.32Å; L359-V396 HydrophobicContact CD1-CG1 3.96Å; R362-V396 HydrophobicContact CB-CG1 4.03Å; R362-V396 HydrophobicContact CB-CG2 4.03Å; L363-V396 HydrophobicContact CD1-CG1 4.28Å; L363-V396 HydrophobicContact CD2-CB 4.26Å; L363-V396 HydrophobicContact CD2-CG1 3.82Å; L363-V396 HydrophobicContact CD2-CG2 4.25Å; L363-V396 HydrophobicContact CG-CG1 3.97Å; L393-V396 WeakPolarHBondContact O-CA 3.44Å; L393-V396 WeakPolarHBondContact O-CB 3.26Å; L393-V396 PolarHBondContact O-N 3.09Å; L394-V396 PolarHBondContact O-N 3.42Å; V396-G400 PolarHBondContact O-N 2.68Å; V396-G400 VanDerWaalsContact O-N 3.12Å
397	L	94.4	Very high	94.1	Very high	9 Å²	9	60.4 Å²	60.4	5%	0.047	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-47.2	173.2	177.2	60.5	0	0	0	111.1	L337 Q340 M341 V344 L393 L394 F399 G400 I401	L337-L397 HydrophobicContact CD1-CB 4.38Å; L337-L397 HydrophobicContact CD1-CD2 3.73Å; Q340-L397 HydrophobicContact CB-CD1 3.94Å; Q340-L397 HydrophobicContact CB-CD2 4.02Å; M341-L397 HydrophobicContact CG-CB 3.91Å; M341-L397 HydrophobicContact CG-CD1 3.77Å; M341-L397 HydrophobicContact CG-CG 4.27Å; V344-L397 HydrophobicContact CB-CD1 4.49Å; V344-L397 HydrophobicContact CG2-CD1 3.97Å; L393-L397 PolarHBondContact O-N 3.21Å; L394-L397 WeakPolarHBondContact O-CB 3.35Å; L394-L397 PolarHBondContact O-N 2.95Å; L394-L397 VanDerWaalsContact O-N 3.12Å; L397-F399 PolarHBondContact O-N 3.05Å; L397-G400 PolarHBondContact O-N 2.9Å; L397-I401 HydrophobicContact CD1-CD1 3.8Å; L397-I401 HydrophobicContact CD1-CG1 3.95Å; L397-I401 HydrophobicContact CD2-CD1 4.35Å; L397-I401 HydrophobicContact CG-CD1 3.78Å; L397-I401 HydrophobicContact CG-CG1 4.3Å; L397-I401 WeakPolarHBondContact O-CG1 3.48Å; L397-I401 PolarHBondContact O-N 3.15Å
398	E	95.5	Very high	94.4	Very high	124 Å²	124	69.9 Å²	69.9	58%	0.579	32%	0.322	S	S	*	.	H	α-helix	trans	-57.2	-47	177.5	-73.2	170.7	179.2	0	0	111.8	L394 G400 I401 D402	L394-E398 WeakPolarHBondContact O-CG 3.44Å; L394-E398 PolarHBondContact O-N 3.01Å; E398-G400 VanDerWaalsContact C-N 3.27Å; E398-G400 PolarHBondContact O-N 3.05Å; E398-I401 PolarHBondContact O-N 3.38Å; E398-D402 WeakPolarHBondContact O-CB 3.33Å; E398-D402 PolarHBondContact O-N 3.37Å
399	F	95.1	Very high	94.4	Very high	53 Å²	53	67 Å²	67	23%	0.232	31%	0.313	C	S	.	.	H	α-helix	trans	-54.4	-44.4	173	163.9	-99.8	0	0	0	112.2	E358 P395 L397 H403	E358-F399 HydrophobicContact CB-CZ 4.43Å; E358-F399 HydrophobicContact CG-CE1 4.27Å; E358-F399 HydrophobicContact CG-CE2 4.48Å; E358-F399 HydrophobicContact CG-CZ 3.83Å; P395-F399 WeakPolarHBondContact O-CB 3.32Å; P395-F399 PolarHBondContact O-N 3.1Å; P395-F399 VanDerWaalsContact O-N 3.15Å; L397-F399 PolarHBondContact O-N 3.05Å; F399-H403 WeakPolarHBondContact O-CB 3.49Å; F399-H403 PolarHBondContact O-N 3.05Å
400	G	95.1	Very high	94.6	Very high	0 Å²	0	67 Å²	67	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-70.5	-40.8	-178.5	0	0	0	0	0	113.4	V344 V396 L397 E398 H403 V404	V344-G400 VanDerWaalsContact CG1-C 3.47Å; V396-G400 PolarHBondContact O-N 2.68Å; V396-G400 VanDerWaalsContact O-N 3.12Å; L397-G400 PolarHBondContact O-N 2.9Å; E398-G400 VanDerWaalsContact C-N 3.27Å; E398-G400 PolarHBondContact O-N 3.05Å; G400-H403 PolarHBondContact O-N 3.49Å; G400-V404 WeakPolarHBondContact O-CG2 3.4Å; G400-V404 PolarHBondContact O-N 2.94Å
401	I	95.8	Very high	94.7	Very high	42 Å²	42	64.9 Å²	64.9	22%	0.215	31%	0.309	C	S	.	.	H	α-helix	trans	-63.5	-49.2	175.9	-70.1	176	0	0	0	110.3	V344 L397 E398 H403 V404 F405 F429	V344-I401 HydrophobicContact CG2-CG1 3.89Å; L397-I401 HydrophobicContact CD1-CD1 3.8Å; L397-I401 HydrophobicContact CD1-CG1 3.95Å; L397-I401 HydrophobicContact CD2-CD1 4.35Å; L397-I401 HydrophobicContact CG-CD1 3.78Å; L397-I401 HydrophobicContact CG-CG1 4.3Å; L397-I401 WeakPolarHBondContact O-CG1 3.48Å; L397-I401 PolarHBondContact O-N 3.15Å; E398-I401 PolarHBondContact O-N 3.38Å; I401-H403 VanDerWaalsContact C-N 3.3Å; I401-H403 PolarHBondContact O-N 3.45Å; I401-V404 PolarHBondContact O-N 2.84Å; I401-V404 VanDerWaalsContact O-N 3.12Å; I401-F405 HydrophobicContact CG2-CD2 3.63Å; I401-F405 HydrophobicContact CG2-CE2 3.51Å; I401-F405 WeakPolarHBondContact O-CD2 3.45Å; I401-F405 PolarHBondContact O-N 2.71Å; I401-F405 VanDerWaalsContact O-N 3.09Å; I401-F429 HydrophobicContact CG1-CD2 4.3Å; I401-F429 HydrophobicContact CG1-CE2 4.39Å; I401-F429 HydrophobicContact CG2-CE2 4.36Å
402	D	96.9	Very high	94.6	Very high	97 Å²	97	64.7 Å²	64.7	52%	0.519	31%	0.311	S	S	.	.	H	α-helix	trans	-57.7	-44.4	178	-179.4	74.1	0	0	0	111.3	E398 V404 F405 N406	E398-D402 WeakPolarHBondContact O-CB 3.33Å; E398-D402 PolarHBondContact O-N 3.37Å; D402-V404 PolarHBondContact O-N 3.37Å; D402-F405 PolarHBondContact O-N 3.04Å; D402-N406 WeakPolarHBondContact O-CB 3.45Å; D402-N406 PolarHBondContact O-N 2.8Å; D402-N406 PolarHBondContact O-ND2 3.43Å; D402-N406 PolarHBondContact OD1-ND2 2.94Å
403	H	96.7	Very high	94.6	Very high	33 Å²	33	61.7 Å²	61.7	15%	0.153	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-46.5	175.1	-177.3	85.7	0	0	0	112.1	L348 C351 V355 F399 G400 I401 F405 N406 C407	L348-H403 HydrophobicContact CD2-CB 3.87Å; L348-H403 WeakPolarHBondContact CD2-CD2 3.33Å; C351-H403 PolarHBondContact SG-NE2 3.42Å; V355-H403 WeakPolarHBondContact CG2-CE1 3.46Å; F399-H403 WeakPolarHBondContact O-CB 3.49Å; F399-H403 PolarHBondContact O-N 3.05Å; G400-H403 PolarHBondContact O-N 3.49Å; I401-H403 VanDerWaalsContact C-N 3.3Å; I401-H403 PolarHBondContact O-N 3.45Å; H403-F405 PolarHBondContact O-N 2.92Å; H403-N406 PolarHBondContact O-N 3.3Å; H403-C407 WeakPolarHBondContact NE2-CB 3.48Å; H403-C407 PolarHBondContact NE2-SG 2.8Å; H403-C407 WeakPolarHBondContact O-CB 3.23Å; H403-C407 PolarHBondContact O-N 3.35Å
404	V	96.5	Very high	94.5	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-43.5	-176.8	171.5	0	0	0	0	111.5	Y347 L348 G400 I401 D402 C410 Y427 F429	Y347-V404 HydrophobicContact CD1-CG1 4.39Å; Y347-V404 HydrophobicContact CG-CG1 4.45Å; Y347-V404 HydrophobicContact CG-CG2 4.04Å; L348-V404 HydrophobicContact CD2-CG2 4.31Å; G400-V404 WeakPolarHBondContact O-CG2 3.4Å; G400-V404 PolarHBondContact O-N 2.94Å; I401-V404 PolarHBondContact O-N 2.84Å; I401-V404 VanDerWaalsContact O-N 3.12Å; D402-V404 PolarHBondContact O-N 3.37Å; V404-C410 HydrophobicContact CB-CB 4.27Å; V404-C410 HydrophobicContact CG1-CB 4Å; V404-C410 HydrophobicContact CG2-CB 4.3Å; V404-Y427 HydrophobicContact CG1-CD1 3.74Å; V404-Y427 HydrophobicContact CG1-CE1 3.42Å; V404-Y427 VanDerWaalsContact CG1-CE1 3.42Å; V404-Y427 HydrophobicContact CG1-CE2 4.41Å; V404-Y427 HydrophobicContact CG1-CG 4.36Å; V404-F429 HydrophobicContact CB-CE1 4.15Å; V404-F429 HydrophobicContact CB-CZ 4.09Å; V404-F429 HydrophobicContact CG1-CE1 3.68Å; V404-F429 HydrophobicContact CG1-CZ 3.69Å; V404-F429 HydrophobicContact CG2-CE1 4.32Å
405	F	96	Very high	94.6	Very high	98 Å²	98	61 Å²	61	43%	0.43	30%	0.301	S	S	.	.	H	α-helix	trans	-68.2	-34.7	178.8	-76.2	-60.1	0	0	0	113.3	I401 D402 H403 Y427 F429 Q430	I401-F405 HydrophobicContact CG2-CD2 3.63Å; I401-F405 HydrophobicContact CG2-CE2 3.51Å; I401-F405 WeakPolarHBondContact O-CD2 3.45Å; I401-F405 PolarHBondContact O-N 2.71Å; I401-F405 VanDerWaalsContact O-N 3.09Å; D402-F405 PolarHBondContact O-N 3.04Å; H403-F405 PolarHBondContact O-N 2.92Å; F405-Y427 HydrophobicContact CD1-CD2 4.4Å; F405-Y427 AromaticContact CD1-CE2 3.83Å; F405-Y427 HydrophobicContact CD1-CE2 3.83Å; F405-Y427 AromaticContact CE1-CD2 3.75Å; F405-Y427 HydrophobicContact CE1-CD2 3.75Å; F405-Y427 AromaticContact CE1-CE2 3.58Å; F405-Y427 HydrophobicContact CE1-CE2 3.58Å; F405-Y427 HydrophobicContact CZ-CD2 4.28Å; F405-F429 AromaticContact CE2-CE2 3.94Å; F405-F429 HydrophobicContact CE2-CE2 3.94Å; F405-F429 HydrophobicContact CE2-CZ 4.39Å; F405-F429 AromaticContact CZ-CE2 3.94Å; F405-F429 HydrophobicContact CZ-CE2 3.94Å; F405-F429 HydrophobicContact CZ-CZ 4.32Å; F405-Q430 HydrophobicContact CZ-CG 4.48Å
406	N	96	Very high	94.5	Very high	121 Å²	121	60.6 Å²	60.6	65%	0.647	29%	0.294	S	S	*	.	H	α-helix	trans	-94.7	-6.3	-176	-66	-48.1	0	0	0	114.2	D402 H403	D402-N406 WeakPolarHBondContact O-CB 3.45Å; D402-N406 PolarHBondContact O-N 2.8Å; D402-N406 PolarHBondContact O-ND2 3.43Å; D402-N406 PolarHBondContact OD1-ND2 2.94Å; H403-N406 PolarHBondContact O-N 3.3Å
407	C	96	Very high	94.6	Very high	12 Å²	12	60 Å²	60	8%	0.081	29%	0.291	C	S	.	.			trans	-100.2	118.2	-177.3	-177.9	0	0	0	0	112.6	C351 H403 L409 C410 A411	C351-C407 PolarHBondContact SG-SG 2.95Å; H403-C407 WeakPolarHBondContact NE2-CB 3.48Å; H403-C407 PolarHBondContact NE2-SG 2.8Å; H403-C407 WeakPolarHBondContact O-CB 3.23Å; H403-C407 PolarHBondContact O-N 3.35Å; C407-L409 PolarHBondContact O-N 3.43Å; C407-C410 HydrophobicContact CB-CB 4.05Å; C407-C410 PolarHBondContact O-N 3.39Å; C407-A411 PolarHBondContact O-N 2.85Å
408	R	94.6	Very high	94.4	Very high	218 Å²	218	62.2 Å²	62.2	82%	0.823	30%	0.301	S	S	*	.	H	α-helix	trans	-56.1	-34	176.2	-62.2	-175.6	-176.7	-176.9	0.4	113.8	Q412	R408-Q412 WeakPolarHBondContact O-CG 3.44Å; R408-Q412 PolarHBondContact O-N 3.47Å
409	L	93.6	Very high	94.2	Very high	66 Å²	66	59.2 Å²	59.2	35%	0.346	29%	0.291	S	S	.	.	H	α-helix	trans	-72.5	-32.3	178	-63.2	174.3	0	0	0	112.4	R352 C407	R352-L409 HydrophobicContact CG-CD1 3.85Å; C407-L409 PolarHBondContact O-N 3.43Å
410	C	93.7	Very high	94.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-76.8	-38.8	175.9	-64.2	0	0	0	0	110.9	Y347 C351 V404 C407 Q412 K413 G414	Y347-C410 HydrophobicContact CD1-CB 4.34Å; C351-C410 VanDerWaalsContact SG-SG 3.67Å; V404-C410 HydrophobicContact CB-CB 4.27Å; V404-C410 HydrophobicContact CG1-CB 4Å; V404-C410 HydrophobicContact CG2-CB 4.3Å; C407-C410 HydrophobicContact CB-CB 4.05Å; C407-C410 PolarHBondContact O-N 3.39Å; C410-Q412 VanDerWaalsContact C-N 3.26Å; C410-Q412 PolarHBondContact O-N 3.3Å; C410-K413 WeakPolarHBondContact O-CB 3.47Å; C410-K413 PolarHBondContact O-N 2.92Å; C410-G414 PolarHBondContact O-N 3.14Å
411	A	92.7	Very high	94	Very high	36 Å²	36	64.6 Å²	64.6	30%	0.298	33%	0.325	S	S	.	.	H	α-helix	trans	-56.7	-38	176.9	0	0	0	0	0	112.9	C407 K413 G414 Y427	C407-A411 PolarHBondContact O-N 2.85Å; A411-K413 PolarHBondContact O-N 2.9Å; A411-G414 PolarHBondContact O-N 2.94Å; A411-G414 VanDerWaalsContact O-N 3.13Å; A411-Y427 WeakPolarHBondContact CA-OH 3.26Å
412	Q	90.9	Very high	93.9	Very high	159 Å²	159	67.2 Å²	67.2	74%	0.743	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.9	176	-71.6	174	3.9	0	0	114.4	R408 C410	R408-Q412 WeakPolarHBondContact O-CG 3.44Å; R408-Q412 PolarHBondContact O-N 3.47Å; C410-Q412 VanDerWaalsContact C-N 3.26Å; C410-Q412 PolarHBondContact O-N 3.3Å
413	K	91.3	Very high	93.7	Very high	78 Å²	78	68.4 Å²	68.4	34%	0.339	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-2.5	178.4	-59.7	173.6	-174.4	171	0	112.6	Y347 T350 C410 A411	Y347-K413 HydrophobicContact CD1-CB 3.97Å; Y347-K413 HydrophobicContact CD1-CD 4.45Å; Y347-K413 HydrophobicContact CE1-CB 3.7Å; Y347-K413 WeakPolarHBondContact CE1-O 3.38Å; Y347-K413 PolarHBondContact OH-O 3.05Å; T350-K413 VanDerWaalsContact CB-NZ 3.35Å; T350-K413 PolarHBondContact O-NZ 3.27Å; T350-K413 PolarHBondContact OG1-NZ 3.47Å; C410-K413 WeakPolarHBondContact O-CB 3.47Å; C410-K413 PolarHBondContact O-N 2.92Å; A411-K413 PolarHBondContact O-N 2.9Å
414	G	91.9	Very high	93.6	Very high	19 Å²	19	72.2 Å²	72.2	20%	0.196	37%	0.367	C	S	.	.	S	Bend	trans	-69.5	175	172.1	0	0	0	0	0	111.2	C410 A411	C410-G414 PolarHBondContact O-N 3.14Å; A411-G414 PolarHBondContact O-N 2.94Å; A411-G414 VanDerWaalsContact O-N 3.13Å
415	F	94.9	Very high	93.5	Very high	37 Å²	37	74.7 Å²	74.7	16%	0.162	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-111.5	150.4	-176.1	-61.1	-93.8	0	0	0	110.4	Y347 V425 I426 P428 W442 V443	Y347-F415 WeakPolarHBondContact OH-CE2 3.46Å; F415-V425 WeakPolarHBondContact O-CA 3.39Å; F415-I426 HydrophobicContact CB-CG1 4Å; F415-I426 PolarHBondContact N-O 3.12Å; F415-I426 WeakPolarHBondContact O-CG1 3.38Å; F415-I426 PolarHBondContact O-N 2.98Å; F415-P428 HydrophobicContact CE2-CG 4.43Å; F415-W442 AromaticContact CD1-CD2 3.74Å; F415-W442 HydrophobicContact CD1-CD2 3.74Å; F415-W442 AromaticContact CD1-CE3 3.45Å; F415-W442 HydrophobicContact CD1-CE3 3.45Å; F415-W442 VanDerWaalsContact CD1-CE3 3.45Å; F415-W442 HydrophobicContact CD1-CG 4.4Å; F415-W442 HydrophobicContact CD1-CH2 4.13Å; F415-W442 HydrophobicContact CD1-CZ2 4.28Å; F415-W442 AromaticContact CD1-CZ3 3.69Å; F415-W442 HydrophobicContact CD1-CZ3 3.69Å; F415-W442 HydrophobicContact CE1-CD2 4.17Å; F415-W442 AromaticContact CE1-CE3 3.55Å; F415-W442 HydrophobicContact CE1-CE3 3.55Å; F415-W442 AromaticContact CE1-CZ3 3.91Å; F415-W442 HydrophobicContact CE1-CZ3 3.91Å; F415-V443 HydrophobicContact CB-CB 3.91Å; F415-V443 HydrophobicContact CD1-CB 4.21Å; F415-V443 HydrophobicContact CD1-CG2 4.24Å; F415-V443 HydrophobicContact CD2-CB 3.69Å; F415-V443 HydrophobicContact CD2-CG2 3.45Å; F415-V443 VanDerWaalsContact CD2-CG2 3.45Å; F415-V443 HydrophobicContact CE1-CG2 4.27Å; F415-V443 HydrophobicContact CE2-CB 4.26Å; F415-V443 HydrophobicContact CE2-CG2 3.5Å; F415-V443 VanDerWaalsContact CE2-CG2 3.5Å; F415-V443 HydrophobicContact CG-CB 3.66Å; F415-V443 HydrophobicContact CG-CG2 3.84Å; F415-V443 HydrophobicContact CZ-CG2 3.92Å
416	I	94.3	Very high	93.5	Very high	57 Å²	57	70.1 Å²	70.1	29%	0.292	36%	0.362	S	S	.	.			trans	-107.4	132.1	163.5	-62.2	-59.1	0	0	0	106.8	E418 Q422 P423 E424 V425 W442	I416-E418 PolarHBondContact O-N 3.41Å; I416-E418 VanDerWaalsContact O-N 3.15Å; I416-Q422 WeakPolarHBondContact CG2-O 3.34Å; I416-P423 WeakPolarHBondContact CD1-O 3.17Å; I416-E424 WeakPolarHBondContact CD1-O 3.35Å; I416-V425 HydrophobicContact CD1-CG2 4.16Å; I416-W442 PolarHBondContact O-NE1 3.44Å
417	C	94.5	Very high	93.5	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.333	C	S	.	.			trans	-67.9	113.3	-179.7	-177.1	0	0	0	0	110.1	V419 N421 I426 H445	C417-V419 PolarHBondContact O-N 3.21Å; C417-V419 VanDerWaalsContact O-N 3.08Å; C417-N421 WeakPolarHBondContact O-CA 3.39Å; C417-N421 PolarHBondContact O-N 2.99Å; C417-I426 HydrophobicContact CB-CD1 3.97Å; C417-H445 WeakPolarHBondContact CB-ND1 3.37Å
418	E	91.1	Very high	93.3	Very high	56 Å²	56	64.6 Å²	64.6	26%	0.262	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.4	-179	-71.9	-172.2	-168.4	0	0	113.7	I416 W442 Y444 S456 R457 R460	I416-E418 PolarHBondContact O-N 3.41Å; I416-E418 VanDerWaalsContact O-N 3.15Å; E418-W442 HydrophobicContact CG-CZ2 4.16Å; E418-Y444 HydrophobicContact CB-CE1 4.11Å; E418-S456 PolarHBondContact OE2-OG 3.14Å; E418-R457 IonicContact OE1-NE 3.74Å; E418-R460 IonicContact OE1-NH1 4Å; E418-R460 IonicContact OE2-CZ 3.8Å; E418-R460 IonicContact OE2-NH1 3.76Å; E418-R460 IonicContact OE2-NH2 2.97Å; E418-R460 PolarHBondContact OE2-NH2 3.45Å
419	V	91.6	Very high	93.3	Very high	62 Å²	62	54.4 Å²	54.4	38%	0.376	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-52.1	-178.1	177.6	0	0	0	0	111.6	C417 Y444 C448 M449	C417-V419 PolarHBondContact O-N 3.21Å; C417-V419 VanDerWaalsContact O-N 3.08Å; V419-Y444 HydrophobicContact CG2-CD1 3.84Å; V419-Y444 HydrophobicContact CG2-CE1 4.05Å; V419-C448 HydrophobicContact CB-CB 3.8Å; V419-C448 HydrophobicContact CG1-CB 3.82Å; V419-C448 HydrophobicContact CG2-CB 4.33Å; V419-M449 HydrophobicContact CG2-SD 4.46Å
420	C	93.3	Very high	93.2	Very high	42 Å²	42	53 Å²	53	28%	0.284	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-18.7	178.1	65.5	0	0	0	0	113.2	Q422 H445	C420-Q422 HydrophobicContact CB-CG 4.15Å; C420-Q422 PolarHBondContact O-N 2.87Å; C420-Q422 VanDerWaalsContact O-N 3.09Å; C420-H445 PolarHBondContact SG-ND1 2.72Å; C420-H445 VanDerWaalsContact SG-ND1 3.37Å
421	N	92.5	Very high	93.1	Very high	123 Å²	123	54.7 Å²	54.7	66%	0.658	29%	0.294	S	S	*	.			trans	51.3	30.2	-178.3	-158.5	42	0	0	0	114.3	C417	C417-N421 WeakPolarHBondContact O-CA 3.39Å; C417-N421 PolarHBondContact O-N 2.99Å
422	Q	93.7	Very high	93	Very high	98 Å²	98	58.5 Å²	58.5	46%	0.458	31%	0.314	S	S	.	.			trans	-72.1	142.2	174.5	-70.4	173.1	2	0	0	109.8	I416 C420 E424	I416-Q422 WeakPolarHBondContact CG2-O 3.34Å; C420-Q422 HydrophobicContact CB-CG 4.15Å; C420-Q422 PolarHBondContact O-N 2.87Å; C420-Q422 VanDerWaalsContact O-N 3.09Å; Q422-E424 PolarHBondContact O-N 3.15Å; Q422-E424 VanDerWaalsContact O-N 3.08Å
423	P	93.3	Very high	93.1	Very high	122 Å²	122	54.3 Å²	54.3	79%	0.792	30%	0.299	S	S	*	.	S	Bend	trans	-71.1	-3.7	-174.8	30.4	-36.8	0	0	0	113.9	I416 V425	I416-P423 WeakPolarHBondContact CD1-O 3.17Å; P423-V425 PolarHBondContact O-N 3.18Å
424	E	93.5	Very high	93.2	Very high	112 Å²	112	51 Å²	51	52%	0.523	29%	0.286	S	S	.	.			trans	-65.5	126.2	177	-172.7	-179	172.9	0	0	110.9	I416 Q422	I416-E424 WeakPolarHBondContact CD1-O 3.35Å; Q422-E424 PolarHBondContact O-N 3.15Å; Q422-E424 VanDerWaalsContact O-N 3.08Å
425	V	94.8	Very high	93.2	Very high	52 Å²	52	53.4 Å²	53.4	32%	0.315	29%	0.289	S	S	.	.			trans	-80.3	121.7	177.7	-177	0	0	0	0	109.5	F415 I416 P423 Y427	F415-V425 WeakPolarHBondContact O-CA 3.39Å; I416-V425 HydrophobicContact CD1-CG2 4.16Å; P423-V425 PolarHBondContact O-N 3.18Å; V425-Y427 HydrophobicContact CG1-CE1 4.1Å; V425-Y427 HydrophobicContact CG1-CE2 3.98Å
426	I	95.6	Very high	93.1	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-109.8	153.6	178	61.5	176.5	0	0	0	112.2	F415 C417 T434 V443 H445	F415-I426 HydrophobicContact CB-CG1 4Å; F415-I426 PolarHBondContact N-O 3.12Å; F415-I426 WeakPolarHBondContact O-CG1 3.38Å; F415-I426 PolarHBondContact O-N 2.98Å; C417-I426 HydrophobicContact CB-CD1 3.97Å; I426-T434 HydrophobicContact CB-CG2 3.85Å; I426-T434 HydrophobicContact CD1-CG2 4.31Å; I426-T434 HydrophobicContact CG1-CG2 4.5Å; I426-T434 HydrophobicContact CG2-CG2 4.35Å; I426-V443 HydrophobicContact CD1-CG1 3.98Å; I426-V443 HydrophobicContact CG1-CG1 4.15Å; I426-H445 VanDerWaalsContact CG2-NE2 3.29Å; I426-H445 WeakPolarHBondContact CG2-NE2 3.37Å
427	Y	95.5	Very high	92.9	Very high	7 Å²	7	50.8 Å²	50.8	3%	0.027	28%	0.275	C	S	.	.			trans	-129.3	149.8	-174	-58.6	-84.5	0	0	0	112.4	Y347 V404 F405 A411 V425 F429 Q430 T434	Y347-Y427 AromaticContact CE1-CD1 3.89Å; Y347-Y427 HydrophobicContact CE1-CD1 3.89Å; Y347-Y427 HydrophobicContact CE1-CE1 4.08Å; Y347-Y427 HydrophobicContact CE2-CD1 4.42Å; Y347-Y427 AromaticContact CZ-CD1 3.78Å; V404-Y427 HydrophobicContact CG1-CD1 3.74Å; V404-Y427 HydrophobicContact CG1-CE1 3.42Å; V404-Y427 VanDerWaalsContact CG1-CE1 3.42Å; V404-Y427 HydrophobicContact CG1-CE2 4.41Å; V404-Y427 HydrophobicContact CG1-CG 4.36Å; F405-Y427 HydrophobicContact CD1-CD2 4.4Å; F405-Y427 AromaticContact CD1-CE2 3.83Å; F405-Y427 HydrophobicContact CD1-CE2 3.83Å; F405-Y427 AromaticContact CE1-CD2 3.75Å; F405-Y427 HydrophobicContact CE1-CD2 3.75Å; F405-Y427 AromaticContact CE1-CE2 3.58Å; F405-Y427 HydrophobicContact CE1-CE2 3.58Å; F405-Y427 HydrophobicContact CZ-CD2 4.28Å; A411-Y427 WeakPolarHBondContact CA-OH 3.26Å; V425-Y427 HydrophobicContact CG1-CE1 4.1Å; V425-Y427 HydrophobicContact CG1-CE2 3.98Å; Y427-F429 VanDerWaalsContact C-N 3.26Å; Y427-F429 AromaticContact CD1-CE1 3.8Å; Y427-F429 HydrophobicContact CD1-CE1 3.8Å; Y427-F429 HydrophobicContact CD1-CZ 4.02Å; Y427-F429 HydrophobicContact CD2-CE1 4.36Å; Y427-F429 HydrophobicContact CD2-CE2 4.43Å; Y427-F429 AromaticContact CD2-CZ 3.79Å; Y427-F429 HydrophobicContact CD2-CZ 3.79Å; Y427-F429 HydrophobicContact CG-CD1 4.47Å; Y427-F429 AromaticContact CG-CE1 3.57Å; Y427-F429 HydrophobicContact CG-CE1 3.57Å; Y427-F429 HydrophobicContact CG-CE2 4.31Å; Y427-F429 AromaticContact CG-CZ 3.46Å; Y427-F429 HydrophobicContact CG-CZ 3.46Å; Y427-F429 VanDerWaalsContact CG-CZ 3.46Å; Y427-F429 PolarHBondContact O-N 3.04Å; Y427-Q430 PolarHBondContact O-N 3.16Å; Y427-T434 WeakPolarHBondContact O-CG2 3.33Å; Y427-T434 PolarHBondContact O-OG1 3.41Å
428	P	93.2	Very high	92.5	Very high	11 Å²	11	54.5 Å²	54.5	7%	0.071	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-21	-179.4	26	-32.8	0	0	0	113.6	H343 Y347 F415 Q430 L431 V443	H343-P428 HydrophobicContact CB-CB 4.4Å; H343-P428 HydrophobicContact CB-CG 4.19Å; H343-P428 PolarHBondContact CD2-O 3.13Å; Y347-P428 HydrophobicContact CE2-CG 4Å; Y347-P428 WeakPolarHBondContact OH-CD 3.49Å; F415-P428 HydrophobicContact CE2-CG 4.43Å; P428-Q430 VanDerWaalsContact C-N 3.27Å; P428-Q430 PolarHBondContact O-N 3.18Å; P428-L431 WeakPolarHBondContact O-CD2 3.45Å; P428-V443 HydrophobicContact CB-CG2 3.94Å; P428-V443 HydrophobicContact CG-CG2 4.43Å
429	F	92.8	Very high	92.4	Very high	3 Å²	3	57.3 Å²	57.3	1%	0.013	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-9.3	175.7	56.7	-102	0	0	0	113.6	Q340 H343 V344 Y347 I401 V404 F405 Y427 L431	Q340-F429 HydrophobicContact CB-CB 4.5Å; Q340-F429 PolarHBondContact NE2-O 3.08Å; H343-F429 HydrophobicContact CB-CB 3.84Å; V344-F429 HydrophobicContact CG2-CB 3.77Å; V344-F429 HydrophobicContact CG2-CD1 3.58Å; V344-F429 HydrophobicContact CG2-CD2 4.26Å; V344-F429 HydrophobicContact CG2-CE1 4.21Å; V344-F429 HydrophobicContact CG2-CG 3.61Å; Y347-F429 HydrophobicContact CD2-CE1 4.42Å; Y347-F429 HydrophobicContact CE2-CD1 4.38Å; Y347-F429 HydrophobicContact CE2-CE1 4.33Å; I401-F429 HydrophobicContact CG1-CD2 4.3Å; I401-F429 HydrophobicContact CG1-CE2 4.39Å; I401-F429 HydrophobicContact CG2-CE2 4.36Å; V404-F429 HydrophobicContact CB-CE1 4.15Å; V404-F429 HydrophobicContact CB-CZ 4.09Å; V404-F429 HydrophobicContact CG1-CE1 3.68Å; V404-F429 HydrophobicContact CG1-CZ 3.69Å; V404-F429 HydrophobicContact CG2-CE1 4.32Å; F405-F429 AromaticContact CE2-CE2 3.94Å; F405-F429 HydrophobicContact CE2-CE2 3.94Å; F405-F429 HydrophobicContact CE2-CZ 4.39Å; F405-F429 AromaticContact CZ-CE2 3.94Å; F405-F429 HydrophobicContact CZ-CE2 3.94Å; F405-F429 HydrophobicContact CZ-CZ 4.32Å; Y427-F429 VanDerWaalsContact C-N 3.26Å; Y427-F429 AromaticContact CD1-CE1 3.8Å; Y427-F429 HydrophobicContact CD1-CE1 3.8Å; Y427-F429 HydrophobicContact CD1-CZ 4.02Å; Y427-F429 HydrophobicContact CD2-CE1 4.36Å; Y427-F429 HydrophobicContact CD2-CE2 4.43Å; Y427-F429 AromaticContact CD2-CZ 3.79Å; Y427-F429 HydrophobicContact CD2-CZ 3.79Å; Y427-F429 HydrophobicContact CG-CD1 4.47Å; Y427-F429 AromaticContact CG-CE1 3.57Å; Y427-F429 HydrophobicContact CG-CE1 3.57Å; Y427-F429 HydrophobicContact CG-CE2 4.31Å; Y427-F429 AromaticContact CG-CZ 3.46Å; Y427-F429 HydrophobicContact CG-CZ 3.46Å; Y427-F429 VanDerWaalsContact CG-CZ 3.46Å; Y427-F429 PolarHBondContact O-N 3.04Å; F429-L431 PolarHBondContact O-N 3.17Å
430	Q	93.2	Very high	92.3	Very high	37 Å²	37	55 Å²	55	17%	0.173	31%	0.307	C	S	.	.			trans	-80.4	60.1	174.8	-64.3	172.5	-70.6	0	0	111	F405 Y427 P428 T432 T433 T434	F405-Q430 HydrophobicContact CZ-CG 4.48Å; Y427-Q430 PolarHBondContact O-N 3.16Å; P428-Q430 VanDerWaalsContact C-N 3.27Å; P428-Q430 PolarHBondContact O-N 3.18Å; Q430-T432 PolarHBondContact O-N 3.26Å; Q430-T433 PolarHBondContact O-N 2.8Å; Q430-T433 PolarHBondContact O-OG1 2.82Å; Q430-T434 HydrophobicContact CB-CG2 3.93Å; Q430-T434 PolarHBondContact O-N 3.03Å; Q430-T434 PolarHBondContact O-OG1 3.11Å
431	L	90	Very high	92.1	Very high	36 Å²	36	54.6 Å²	54.6	19%	0.188	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-18.4	-168.6	-59.7	-179.7	0	0	0	115.2	V335 L339 Q340 P428 F429 K446	V335-L431 HydrophobicContact CG1-CD1 4.47Å; V335-L431 WeakPolarHBondContact O-CD1 3.37Å; L339-L431 HydrophobicContact CB-CD1 4.49Å; L339-L431 HydrophobicContact CD2-CD1 3.99Å; L339-L431 HydrophobicContact CD2-CD2 4.03Å; L339-L431 HydrophobicContact CG-CD1 4.28Å; L339-L431 HydrophobicContact CG-CD2 4.3Å; Q340-L431 HydrophobicContact CG-CD1 3.44Å; Q340-L431 VanDerWaalsContact CG-CD1 3.44Å; Q340-L431 HydrophobicContact CG-CG 3.85Å; P428-L431 WeakPolarHBondContact O-CD2 3.45Å; F429-L431 PolarHBondContact O-N 3.17Å; L431-K446 WeakPolarHBondContact O-CE 3.3Å; L431-K446 PolarHBondContact O-NZ 3.16Å
432	T	91.1	Very high	92.1	Very high	115 Å²	115	50.9 Å²	50.9	71%	0.706	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-34.9	178.2	51.5	0	0	0	0	112.6	Q430 K446	Q430-T432 PolarHBondContact O-N 3.26Å; T432-K446 WeakPolarHBondContact O-CD 3.47Å; T432-K446 WeakPolarHBondContact O-CE 3.21Å
433	T	93.3	Very high	92.1	Very high	72 Å²	72	46.2 Å²	46.2	44%	0.442	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-20.3	-172.1	58.7	0	0	0	0	113.6	Q430 K446	Q430-T433 PolarHBondContact O-N 2.8Å; Q430-T433 PolarHBondContact O-OG1 2.82Å; T433-K446 PolarHBondContact O-N 2.96Å
434	T	93.8	Very high	92.2	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.055	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	151.5	-176.7	67.4	0	0	0	0	113.5	I426 Y427 Q430 V443 Y444 K446	I426-T434 HydrophobicContact CB-CG2 3.85Å; I426-T434 HydrophobicContact CD1-CG2 4.31Å; I426-T434 HydrophobicContact CG1-CG2 4.5Å; I426-T434 HydrophobicContact CG2-CG2 4.35Å; Y427-T434 WeakPolarHBondContact O-CG2 3.33Å; Y427-T434 PolarHBondContact O-OG1 3.41Å; Q430-T434 HydrophobicContact CB-CG2 3.93Å; Q430-T434 PolarHBondContact O-N 3.03Å; Q430-T434 PolarHBondContact O-OG1 3.11Å; T434-V443 HydrophobicContact CG2-CG1 4.07Å; T434-Y444 CarbonylContact C-O 3.58Å; T434-Y444 VanDerWaalsContact CA-O 3.23Å; T434-Y444 WeakPolarHBondContact CA-O 3.46Å; T434-Y444 WeakPolarHBondContact CB-O 3.35Å; T434-K446 VanDerWaalsContact C-CG 3.43Å; T434-K446 WeakPolarHBondContact O-CE 3.12Å; T434-K446 VanDerWaalsContact O-CG 3.25Å; T434-K446 WeakPolarHBondContact O-CG 3.45Å
435	Y	92.3	Very high	92.3	Very high	68 Å²	68	36.4 Å²	36.4	27%	0.267	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.6	172.1	171.1	-93.6	0	0	0	108.6	C437 V443 Y444 M449	Y435-C437 HydrophobicContact CE1-CB 4.43Å; Y435-V443 CarbonylContact O-C 3.54Å; Y435-V443 WeakPolarHBondContact O-CA 3.43Å; Y435-Y444 HydrophobicContact CD1-CD2 4.29Å; Y435-Y444 PolarHBondContact N-O 3.47Å; Y435-Y444 PolarHBondContact O-N 3.43Å; Y435-M449 HydrophobicContact CD1-CB 3.97Å; Y435-M449 HydrophobicContact CD1-CE 4.11Å; Y435-M449 HydrophobicContact CD1-CG 3.68Å; Y435-M449 HydrophobicContact CE1-CE 3.79Å; Y435-M449 HydrophobicContact CE1-CG 4.34Å; Y435-M449 HydrophobicContact CG-CB 4.13Å; Y435-M449 HydrophobicContact CG-CG 4.24Å
436	R	91.8	Very high	92.2	Very high	36 Å²	36	38.3 Å²	38.3	14%	0.136	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.4	176.7	-177.9	-175.7	178	-79.4	9	109.3	I181 C441 W442 V443	I181-R436 VanDerWaalsContact CG1-NH2 3.26Å; R436-C441 VanDerWaalsContact CZ-SG 3.51Å; R436-C441 PolarHBondContact NH2-SG 2.73Å; R436-W442 WeakPolarHBondContact CA-O 3.48Å; R436-V443 HydrophobicContact CB-CG2 4.48Å; R436-V443 HydrophobicContact CG-CG2 4.37Å
437	C	90.2	Very high	92.1	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.027	23%	0.234	C	C	.	.			trans	-61.8	128.6	174.7	174.9	0	0	0	0	110.3	Y435 T439 C440 C441 W442 Y444 C455 C458	Y435-C437 HydrophobicContact CE1-CB 4.43Å; C437-T439 VanDerWaalsContact C-N 3.33Å; C437-T439 PolarHBondContact O-N 2.85Å; C437-C440 PolarHBondContact SG-N 3.49Å; C437-C440 VanDerWaalsContact SG-SG 3.61Å; C437-C441 WeakPolarHBondContact O-CA 3.31Å; C437-C441 PolarHBondContact O-N 3.07Å; C437-W442 PolarHBondContact N-O 3.3Å; C437-Y444 HydrophobicContact CB-CE2 4.49Å; C437-C455 HydrophobicContact CB-CB 4.3Å; C437-C455 VanDerWaalsContact SG-SG 3.69Å; C437-C458 VanDerWaalsContact SG-SG 3.61Å
438	P	86.4	Confident	92	Very high	78 Å²	78	42.3 Å²	42.3	51%	0.506	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-37.1	-180	23.9	-32.2	0	0	0	112.1
439	T	88	Confident	91.8	Very high	115 Å²	115	42.6 Å²	42.6	71%	0.706	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-60.5	-176.9	-41.9	0	0	0	0	113.3	C437	C437-T439 VanDerWaalsContact C-N 3.33Å; C437-T439 PolarHBondContact O-N 2.85Å
440	C	89.2	Confident	91.1	Very high	13 Å²	13	48.3 Å²	48.3	9%	0.088	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-5.7	-174.2	74.4	0	0	0	0	114.5	C437 W442 C455 C458	C437-C440 PolarHBondContact SG-N 3.49Å; C437-C440 VanDerWaalsContact SG-SG 3.61Å; C440-W442 PolarHBondContact O-N 3.04Å; C440-W442 VanDerWaalsContact O-N 3.13Å; C440-C455 PolarHBondContact SG-SG 3.19Å; C440-C458 VanDerWaalsContact CB-SG 3.54Å; C440-C458 VanDerWaalsContact SG-SG 3.67Å
441	C	90.3	Very high	90.1	Very high	34 Å²	34	53.8 Å²	53.8	23%	0.23	30%	0.297	C	S	.	.			trans	64.8	10.6	178	-52	0	0	0	0	115.2	R436 C437	R436-C441 VanDerWaalsContact CZ-SG 3.51Å; R436-C441 PolarHBondContact NH2-SG 2.73Å; C437-C441 WeakPolarHBondContact O-CA 3.31Å; C437-C441 PolarHBondContact O-N 3.07Å
442	W	92.4	Very high	89	Confident	45 Å²	45	59.8 Å²	59.8	17%	0.17	33%	0.33	C	S	.	.			trans	-71.1	147.7	174.2	-163.4	-98	0	0	0	111.4	F415 I416 E418 R436 C437 C440 Y444 R457	F415-W442 AromaticContact CD1-CD2 3.74Å; F415-W442 HydrophobicContact CD1-CD2 3.74Å; F415-W442 AromaticContact CD1-CE3 3.45Å; F415-W442 HydrophobicContact CD1-CE3 3.45Å; F415-W442 VanDerWaalsContact CD1-CE3 3.45Å; F415-W442 HydrophobicContact CD1-CG 4.4Å; F415-W442 HydrophobicContact CD1-CH2 4.13Å; F415-W442 HydrophobicContact CD1-CZ2 4.28Å; F415-W442 AromaticContact CD1-CZ3 3.69Å; F415-W442 HydrophobicContact CD1-CZ3 3.69Å; F415-W442 HydrophobicContact CE1-CD2 4.17Å; F415-W442 AromaticContact CE1-CE3 3.55Å; F415-W442 HydrophobicContact CE1-CE3 3.55Å; F415-W442 AromaticContact CE1-CZ3 3.91Å; F415-W442 HydrophobicContact CE1-CZ3 3.91Å; I416-W442 PolarHBondContact O-NE1 3.44Å; E418-W442 HydrophobicContact CG-CZ2 4.16Å; R436-W442 WeakPolarHBondContact CA-O 3.48Å; C437-W442 PolarHBondContact N-O 3.3Å; C440-W442 PolarHBondContact O-N 3.04Å; C440-W442 VanDerWaalsContact O-N 3.13Å; W442-Y444 HydrophobicContact CB-CE2 3.93Å; W442-Y444 AromaticContact CD1-CD2 3.99Å; W442-Y444 AromaticContact CD1-CE1 3.72Å; W442-Y444 AromaticContact CD1-CE2 3.53Å; W442-Y444 AromaticContact CD1-CZ 3.38Å; W442-Y444 HydrophobicContact CG-CE2 4.11Å; W442-R457 VanDerWaalsContact CZ3-CZ 3.42Å; W442-R457 VanDerWaalsContact CZ3-NH1 3.3Å
443	V	93.8	Very high	88.4	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.8	-176.5	-173.2	0	0	0	0	110.2	F415 I426 P428 T434 Y435 R436	F415-V443 HydrophobicContact CB-CB 3.91Å; F415-V443 HydrophobicContact CD1-CB 4.21Å; F415-V443 HydrophobicContact CD1-CG2 4.24Å; F415-V443 HydrophobicContact CD2-CB 3.69Å; F415-V443 HydrophobicContact CD2-CG2 3.45Å; F415-V443 VanDerWaalsContact CD2-CG2 3.45Å; F415-V443 HydrophobicContact CE1-CG2 4.27Å; F415-V443 HydrophobicContact CE2-CB 4.26Å; F415-V443 HydrophobicContact CE2-CG2 3.5Å; F415-V443 VanDerWaalsContact CE2-CG2 3.5Å; F415-V443 HydrophobicContact CG-CB 3.66Å; F415-V443 HydrophobicContact CG-CG2 3.84Å; F415-V443 HydrophobicContact CZ-CG2 3.92Å; I426-V443 HydrophobicContact CD1-CG1 3.98Å; I426-V443 HydrophobicContact CG1-CG1 4.15Å; P428-V443 HydrophobicContact CB-CG2 3.94Å; P428-V443 HydrophobicContact CG-CG2 4.43Å; T434-V443 HydrophobicContact CG2-CG1 4.07Å; Y435-V443 CarbonylContact O-C 3.54Å; Y435-V443 WeakPolarHBondContact O-CA 3.43Å; R436-V443 HydrophobicContact CB-CG2 4.48Å; R436-V443 HydrophobicContact CG-CG2 4.37Å
444	Y	94.8	Very high	88.2	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	164.2	179.7	-59.1	-92.6	0	0	0	109.2	E418 V419 T434 Y435 C437 W442 M449 C455 S456	E418-Y444 HydrophobicContact CB-CE1 4.11Å; V419-Y444 HydrophobicContact CG2-CD1 3.84Å; V419-Y444 HydrophobicContact CG2-CE1 4.05Å; T434-Y444 CarbonylContact C-O 3.58Å; T434-Y444 VanDerWaalsContact CA-O 3.23Å; T434-Y444 WeakPolarHBondContact CA-O 3.46Å; T434-Y444 WeakPolarHBondContact CB-O 3.35Å; Y435-Y444 HydrophobicContact CD1-CD2 4.29Å; Y435-Y444 PolarHBondContact N-O 3.47Å; Y435-Y444 PolarHBondContact O-N 3.43Å; C437-Y444 HydrophobicContact CB-CE2 4.49Å; W442-Y444 HydrophobicContact CB-CE2 3.93Å; W442-Y444 AromaticContact CD1-CD2 3.99Å; W442-Y444 AromaticContact CD1-CE1 3.72Å; W442-Y444 AromaticContact CD1-CE2 3.53Å; W442-Y444 AromaticContact CD1-CZ 3.38Å; W442-Y444 HydrophobicContact CG-CE2 4.11Å; Y444-M449 VanDerWaalsContact CB-CG 3.43Å; Y444-M449 HydrophobicContact CD1-CG 4.4Å; Y444-M449 HydrophobicContact CD1-SD 4.07Å; Y444-M449 HydrophobicContact CD2-CG 4.13Å; Y444-M449 HydrophobicContact CD2-SD 4.09Å; Y444-M449 HydrophobicContact CE1-SD 4.44Å; Y444-M449 HydrophobicContact CE2-SD 4.47Å; Y444-M449 HydrophobicContact CG-CG 3.76Å; Y444-M449 HydrophobicContact CG-SD 3.87Å; Y444-C455 PolarHBondContact OH-SG 3.28Å; Y444-S456 PolarHBondContact OH-OG 3.41Å
445	H	95.4	Very high	88	Confident	27 Å²	27	61.9 Å²	61.9	13%	0.125	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	141.2	163.3	-62.3	113.8	0	0	0	109.8	C417 C420 I426 A447 C448 M449	C417-H445 WeakPolarHBondContact CB-ND1 3.37Å; C420-H445 PolarHBondContact SG-ND1 2.72Å; C420-H445 VanDerWaalsContact SG-ND1 3.37Å; I426-H445 VanDerWaalsContact CG2-NE2 3.29Å; I426-H445 WeakPolarHBondContact CG2-NE2 3.37Å; H445-A447 PolarHBondContact O-N 3.01Å; H445-C448 HydrophobicContact CB-CB 4.05Å; H445-C448 WeakPolarHBondContact O-CB 3.43Å; H445-C448 PolarHBondContact O-N 3.07Å; H445-M449 PolarHBondContact O-N 3.31Å
446	K	93	Very high	87.9	Confident	93 Å²	93	60.6 Å²	60.6	40%	0.404	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-44.8	172.7	-73.3	-163	-172.9	177.6	0	111.1	L431 T432 T433 T434 C448 M449 Q450	L431-K446 WeakPolarHBondContact O-CE 3.3Å; L431-K446 PolarHBondContact O-NZ 3.16Å; T432-K446 WeakPolarHBondContact O-CD 3.47Å; T432-K446 WeakPolarHBondContact O-CE 3.21Å; T433-K446 PolarHBondContact O-N 2.96Å; T434-K446 VanDerWaalsContact C-CG 3.43Å; T434-K446 WeakPolarHBondContact O-CE 3.12Å; T434-K446 VanDerWaalsContact O-CG 3.25Å; T434-K446 WeakPolarHBondContact O-CG 3.45Å; K446-C448 VanDerWaalsContact C-N 3.25Å; K446-C448 PolarHBondContact O-N 3.08Å; K446-M449 CarbonylContact O-C 3.58Å; K446-M449 PolarHBondContact O-N 3.38Å; K446-Q450 WeakPolarHBondContact O-CG 3.35Å; K446-Q450 PolarHBondContact O-N 3Å; K446-Q450 VanDerWaalsContact O-N 3.11Å
447	A	93.2	Very high	87.8	Confident	69 Å²	69	62.1 Å²	62.1	57%	0.57	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-55.8	-38.6	176.5	0	0	0	0	0	112.8	H445 M449	H445-A447 PolarHBondContact O-N 3.01Å; A447-M449 VanDerWaalsContact C-N 3.32Å; A447-M449 PolarHBondContact O-N 3.02Å
448	C	93.2	Very high	87.9	Confident	23 Å²	23	62.7 Å²	62.7	16%	0.155	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-72.7	-22.9	178.5	-67.7	0	0	0	0	114	V419 H445 K446	V419-C448 HydrophobicContact CB-CB 3.8Å; V419-C448 HydrophobicContact CG1-CB 3.82Å; V419-C448 HydrophobicContact CG2-CB 4.33Å; H445-C448 HydrophobicContact CB-CB 4.05Å; H445-C448 WeakPolarHBondContact O-CB 3.43Å; H445-C448 PolarHBondContact O-N 3.07Å; K446-C448 VanDerWaalsContact C-N 3.25Å; K446-C448 PolarHBondContact O-N 3.08Å
449	M	90.2	Very high	88.2	Confident	18 Å²	18	62.6 Å²	62.6	9%	0.089	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-102.9	6.2	-179.6	-68.9	-62.7	-61.7	0	0	113.4	V419 Y435 Y444 H445 K446 A447 R453	V419-M449 HydrophobicContact CG2-SD 4.46Å; Y435-M449 HydrophobicContact CD1-CB 3.97Å; Y435-M449 HydrophobicContact CD1-CE 4.11Å; Y435-M449 HydrophobicContact CD1-CG 3.68Å; Y435-M449 HydrophobicContact CE1-CE 3.79Å; Y435-M449 HydrophobicContact CE1-CG 4.34Å; Y435-M449 HydrophobicContact CG-CB 4.13Å; Y435-M449 HydrophobicContact CG-CG 4.24Å; Y444-M449 VanDerWaalsContact CB-CG 3.43Å; Y444-M449 HydrophobicContact CD1-CG 4.4Å; Y444-M449 HydrophobicContact CD1-SD 4.07Å; Y444-M449 HydrophobicContact CD2-CG 4.13Å; Y444-M449 HydrophobicContact CD2-SD 4.09Å; Y444-M449 HydrophobicContact CE1-SD 4.44Å; Y444-M449 HydrophobicContact CE2-SD 4.47Å; Y444-M449 HydrophobicContact CG-CG 3.76Å; Y444-M449 HydrophobicContact CG-SD 3.87Å; H445-M449 PolarHBondContact O-N 3.31Å; K446-M449 CarbonylContact O-C 3.58Å; K446-M449 PolarHBondContact O-N 3.38Å; A447-M449 VanDerWaalsContact C-N 3.32Å; A447-M449 PolarHBondContact O-N 3.02Å; M449-R453 HydrophobicContact CE-CB 4.5Å; M449-R453 WeakPolarHBondContact CE-O 3.4Å
450	Q	78.3	Confident	88.3	Confident	123 Å²	123	63.4 Å²	63.4	58%	0.575	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	150	173.8	-74.4	173.8	-6.3	0	0	111	K446	K446-Q450 WeakPolarHBondContact O-CG 3.35Å; K446-Q450 PolarHBondContact O-N 3Å; K446-Q450 VanDerWaalsContact O-N 3.11Å
451	N	71.2	Confident	88.4	Confident	151 Å²	151	68.2 Å²	68.2	81%	0.807	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	37	-179	-51.9	-24.2	0	0	0	115.6	R453	N451-R453 PolarHBondContact O-N 3.27Å; N451-R453 VanDerWaalsContact O-N 3.08Å
452	N	66.1	Low	88.5	Confident	163 Å²	163	70.9 Å²	70.9	87%	0.872	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	35	171.5	-152.3	22.5	0	0	0	113.6	A454	N452-A454 PolarHBondContact O-N 3Å
453	R	79.7	Confident	88.4	Confident	149 Å²	149	70.8 Å²	70.8	56%	0.562	37%	0.37	S	S	*	.			trans	-60	134.2	177.2	-71.4	-178.1	179.1	-160.7	-1.2	109.5	M449 N451	M449-R453 HydrophobicContact CE-CB 4.5Å; M449-R453 WeakPolarHBondContact CE-O 3.4Å; N451-R453 PolarHBondContact O-N 3.27Å; N451-R453 VanDerWaalsContact O-N 3.08Å
454	A	88	Confident	88.2	Confident	77 Å²	77	75.6 Å²	75.6	64%	0.636	40%	0.395	S	S	*	.			trans	-59.7	143.6	171.7	0	0	0	0	0	110.3	N452 S456	N452-A454 PolarHBondContact O-N 3Å; A454-S456 PolarHBondContact O-N 3.17Å; A454-S456 VanDerWaalsContact O-N 3.11Å
455	C	91.5	Very high	87.7	Confident	14 Å²	14	77.9 Å²	77.9	10%	0.095	41%	0.414	C	S	.	.			trans	-65.8	113.6	177.1	172.8	0	0	0	0	110	C437 C440 Y444 R457 C458 T459	C437-C455 HydrophobicContact CB-CB 4.3Å; C437-C455 VanDerWaalsContact SG-SG 3.69Å; C440-C455 PolarHBondContact SG-SG 3.19Å; Y444-C455 PolarHBondContact OH-SG 3.28Å; C455-R457 PolarHBondContact O-N 3.3Å; C455-C458 HydrophobicContact CB-CB 3.99Å; C455-C458 PolarHBondContact O-N 2.85Å; C455-T459 PolarHBondContact O-N 3.26Å; C455-T459 PolarHBondContact O-OG1 2.88Å; C455-T459 VanDerWaalsContact O-OG1 3.13Å
456	S	89.6	Confident	87.4	Confident	41 Å²	41	83.5 Å²	83.5	29%	0.287	44%	0.438	S	S	.	.	H	α-helix	trans	-48.6	-36.6	179.4	61.3	0	0	0	0	113.1	E418 Y444 A454 R460	E418-S456 PolarHBondContact OE2-OG 3.14Å; Y444-S456 PolarHBondContact OH-OG 3.41Å; A454-S456 PolarHBondContact O-N 3.17Å; A454-S456 VanDerWaalsContact O-N 3.11Å; S456-R460 WeakPolarHBondContact O-CB 3.4Å; S456-R460 PolarHBondContact O-N 2.98Å; S456-R460 VanDerWaalsContact O-N 3.07Å
457	R	89.4	Confident	86.9	Confident	67 Å²	67	84.6 Å²	84.6	25%	0.253	45%	0.445	S	S	.	.	H	α-helix	trans	-78.1	-38.6	-177.2	-158.6	174.7	-159.6	-147.3	7.4	112.7	E418 W442 C455 R461	E418-R457 IonicContact OE1-NE 3.74Å; W442-R457 VanDerWaalsContact CZ3-CZ 3.42Å; W442-R457 VanDerWaalsContact CZ3-NH1 3.3Å; C455-R457 PolarHBondContact O-N 3.3Å; R457-R461 WeakPolarHBondContact O-CG 3.41Å; R457-R461 PolarHBondContact O-N 3.42Å
458	C	92.9	Very high	86.2	Confident	16 Å²	16	84 Å²	84	11%	0.108	44%	0.439	C	S	.	.	H	α-helix	trans	-64.4	-50	171	-68.5	0	0	0	0	110.1	C437 C440 C455 R460 R461 D462	C437-C458 VanDerWaalsContact SG-SG 3.61Å; C440-C458 VanDerWaalsContact CB-SG 3.54Å; C440-C458 VanDerWaalsContact SG-SG 3.67Å; C455-C458 HydrophobicContact CB-CB 3.99Å; C455-C458 PolarHBondContact O-N 2.85Å; C458-R460 VanDerWaalsContact C-N 3.26Å; C458-R460 PolarHBondContact O-N 3.02Å; C458-R461 CarbonylContact O-C 3.59Å; C458-R461 WeakPolarHBondContact O-CA 3.3Å; C458-R461 WeakPolarHBondContact O-CB 3.4Å; C458-R461 PolarHBondContact O-N 2.73Å; C458-D462 PolarHBondContact O-N 3.36Å
459	T	91.7	Very high	85.4	Confident	76 Å²	76	89.7 Å²	89.7	47%	0.466	46%	0.464	S	S	.	.	H	α-helix	trans	-55	-42.1	178.5	-52	0	0	0	0	112.2	C455 A463	C455-T459 PolarHBondContact O-N 3.26Å; C455-T459 PolarHBondContact O-OG1 2.88Å; C455-T459 VanDerWaalsContact O-OG1 3.13Å; T459-A463 WeakPolarHBondContact O-CB 3.31Å; T459-A463 PolarHBondContact O-N 3.37Å
460	R	91.5	Very high	84.6	Confident	132 Å²	132	93.5 Å²	93.5	50%	0.498	49%	0.492	S	S	.	.	H	α-helix	trans	-65.4	-41.5	175.2	-164.1	-173.3	-53.4	138	12.5	112.5	E418 S456 C458 L464	E418-R460 IonicContact OE1-NH1 4Å; E418-R460 IonicContact OE2-CZ 3.8Å; E418-R460 IonicContact OE2-NH1 3.76Å; E418-R460 IonicContact OE2-NH2 2.97Å; E418-R460 PolarHBondContact OE2-NH2 3.45Å; S456-R460 WeakPolarHBondContact O-CB 3.4Å; S456-R460 PolarHBondContact O-N 2.98Å; S456-R460 VanDerWaalsContact O-N 3.07Å; C458-R460 VanDerWaalsContact C-N 3.26Å; C458-R460 PolarHBondContact O-N 3.02Å; R460-L464 HydrophobicContact CG-CD1 4.48Å; R460-L464 VanDerWaalsContact O-CG 3.28Å; R460-L464 WeakPolarHBondContact O-CG 3.43Å; R460-L464 PolarHBondContact O-N 3Å; R460-L464 VanDerWaalsContact O-N 3.08Å
461	R	90.7	Very high	83.9	Confident	115 Å²	115	91.7 Å²	91.7	43%	0.434	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-42.3	176.8	-77.9	179.5	177	178.2	-1	112	R457 C458 L464 A465	R457-R461 WeakPolarHBondContact O-CG 3.41Å; R457-R461 PolarHBondContact O-N 3.42Å; C458-R461 CarbonylContact O-C 3.59Å; C458-R461 WeakPolarHBondContact O-CA 3.3Å; C458-R461 WeakPolarHBondContact O-CB 3.4Å; C458-R461 PolarHBondContact O-N 2.73Å; R461-L464 PolarHBondContact O-N 3.04Å; R461-A465 WeakPolarHBondContact O-CB 3.36Å; R461-A465 PolarHBondContact O-N 3.35Å
462	D	91.2	Very high	83.1	Confident	89 Å²	89	88.7 Å²	88.7	48%	0.476	48%	0.484	S	S	.	.	H	α-helix	trans	-67.8	-38	179.7	-58.6	-22.7	0	0	0	110.9	C458 A465 K466	C458-D462 PolarHBondContact O-N 3.36Å; D462-A465 PolarHBondContact O-N 3.23Å; D462-K466 VanDerWaalsContact O-CG 3.31Å; D462-K466 WeakPolarHBondContact O-CG 3.5Å; D462-K466 PolarHBondContact O-N 3.03Å
463	A	91.2	Very high	82.5	Confident	44 Å²	44	87.4 Å²	87.4	36%	0.364	48%	0.476	S	S	.	.	H	α-helix	trans	-62.6	-46.9	172.9	0	0	0	0	0	111.9	T459 A465 K466 E467	T459-A463 WeakPolarHBondContact O-CB 3.31Å; T459-A463 PolarHBondContact O-N 3.37Å; A463-A465 VanDerWaalsContact C-N 3.33Å; A463-A465 PolarHBondContact O-N 3.17Å; A463-K466 PolarHBondContact O-N 3.36Å; A463-E467 WeakPolarHBondContact O-CG 3.22Å; A463-E467 PolarHBondContact O-N 2.98Å
464	L	89.3	Confident	81	Confident	101 Å²	101	85.8 Å²	85.8	53%	0.529	48%	0.478	S	S	.	.	H	α-helix	trans	-63.8	-35.8	176.7	-70.6	169.9	0	0	0	112.7	R460 R461 A468	R460-L464 HydrophobicContact CG-CD1 4.48Å; R460-L464 VanDerWaalsContact O-CG 3.28Å; R460-L464 WeakPolarHBondContact O-CG 3.43Å; R460-L464 PolarHBondContact O-N 3Å; R460-L464 VanDerWaalsContact O-N 3.08Å; R461-L464 PolarHBondContact O-N 3.04Å; L464-A468 WeakPolarHBondContact O-CB 3.36Å; L464-A468 PolarHBondContact O-N 3.21Å
465	A	85.7	Confident	79.2	Confident	47 Å²	47	89.1 Å²	89.1	39%	0.388	49%	0.485	S	S	.	.	H	α-helix	trans	-65.3	-43.9	175.4	0	0	0	0	0	111.5	R461 D462 A463 A468 E469	R461-A465 WeakPolarHBondContact O-CB 3.36Å; R461-A465 PolarHBondContact O-N 3.35Å; D462-A465 PolarHBondContact O-N 3.23Å; A463-A465 VanDerWaalsContact C-N 3.33Å; A463-A465 PolarHBondContact O-N 3.17Å; A465-A468 PolarHBondContact O-N 3.45Å; A465-E469 WeakPolarHBondContact O-CG 3.16Å; A465-E469 PolarHBondContact O-N 2.87Å
466	K	87.2	Confident	77.1	Confident	146 Å²	146	94.1 Å²	94.1	64%	0.635	52%	0.518	S	S	*	.	H	α-helix	trans	-63.9	-40.5	175.6	-71.4	173.7	-178.2	-176.6	0	112.6	D462 A463 A468 E469 S470	D462-K466 VanDerWaalsContact O-CG 3.31Å; D462-K466 WeakPolarHBondContact O-CG 3.5Å; D462-K466 PolarHBondContact O-N 3.03Å; A463-K466 PolarHBondContact O-N 3.36Å; K466-A468 VanDerWaalsContact C-N 3.35Å; K466-E469 PolarHBondContact O-N 2.97Å; K466-S470 PolarHBondContact O-N 3.3Å
467	E	83.2	Confident	75.3	Confident	116 Å²	116	96.5 Å²	96.5	54%	0.542	54%	0.535	S	S	.	.	H	α-helix	trans	-62.1	-43.1	174.5	-74.1	172.3	-170.9	0	0	111	A463 S470 S471	A463-E467 WeakPolarHBondContact O-CG 3.22Å; A463-E467 PolarHBondContact O-N 2.98Å; E467-S470 PolarHBondContact O-N 2.8Å; E467-S470 PolarHBondContact O-OG 3.45Å; E467-S471 WeakPolarHBondContact O-CB 3.27Å; E467-S471 PolarHBondContact O-N 3.21Å; E467-S471 PolarHBondContact O-OG 3.09Å
468	A	79.3	Confident	73.3	Confident	55 Å²	55	97.9 Å²	97.9	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-61.7	-45.1	176.9	0	0	0	0	0	112.3	L464 A465 K466 S470 S471 S472	L464-A468 WeakPolarHBondContact O-CB 3.36Å; L464-A468 PolarHBondContact O-N 3.21Å; A465-A468 PolarHBondContact O-N 3.45Å; K466-A468 VanDerWaalsContact C-N 3.35Å; A468-S470 VanDerWaalsContact C-N 3.32Å; A468-S470 PolarHBondContact O-N 2.79Å; A468-S471 WeakPolarHBondContact CA-OG 3.43Å; A468-S471 PolarHBondContact O-N 2.98Å; A468-S471 PolarHBondContact O-OG 2.85Å; A468-S472 PolarHBondContact O-N 2.64Å; A468-S472 VanDerWaalsContact O-N 3.11Å
469	E	75.7	Confident	71	Confident	143 Å²	143	104.4 Å²	104.4	67%	0.668	58%	0.584	S	S	*	*	H	α-helix	trans	-61.8	-36.5	175.3	-72.1	169.9	-173.1	0	0	112.6	A465 K466 S471 S472	A465-E469 WeakPolarHBondContact O-CG 3.16Å; A465-E469 PolarHBondContact O-N 2.87Å; K466-E469 PolarHBondContact O-N 2.97Å; E469-S471 VanDerWaalsContact C-N 3.32Å; E469-S472 PolarHBondContact O-OG 3.17Å
470	S	72.7	Confident	68.8	Low	99 Å²	99	105.8 Å²	105.8	69%	0.692	59%	0.594	S	S	*	*	H	α-helix	trans	-72.9	-24.5	176.4	72.5	0	0	0	0	113.7	K466 E467 A468	K466-S470 PolarHBondContact O-N 3.3Å; E467-S470 PolarHBondContact O-N 2.8Å; E467-S470 PolarHBondContact O-OG 3.45Å; A468-S470 VanDerWaalsContact C-N 3.32Å; A468-S470 PolarHBondContact O-N 2.79Å
471	S	63.5	Low	66.5	Low	85 Å²	85	107.9 Å²	107.9	59%	0.594	62%	0.615	S	S	*	*	H	α-helix	trans	-93.6	-12.4	-177.8	69.8	0	0	0	0	114.2	E467 A468 E469 I473	E467-S471 WeakPolarHBondContact O-CB 3.27Å; E467-S471 PolarHBondContact O-N 3.21Å; E467-S471 PolarHBondContact O-OG 3.09Å; A468-S471 WeakPolarHBondContact CA-OG 3.43Å; A468-S471 PolarHBondContact O-N 2.98Å; A468-S471 PolarHBondContact O-OG 2.85Å; E469-S471 VanDerWaalsContact C-N 3.32Å; S471-I473 VanDerWaalsContact C-N 3.25Å; S471-I473 PolarHBondContact O-N 2.94Å
472	S	54.6	Low	64.5	Low	87 Å²	87	111 Å²	111	61%	0.608	63%	0.634	S	S	*	*			trans	-72.3	83.8	170.6	54.1	0	0	0	0	109.8	A468 E469 D474	A468-S472 PolarHBondContact O-N 2.64Å; A468-S472 VanDerWaalsContact O-N 3.11Å; E469-S472 PolarHBondContact O-OG 3.17Å; S472-D474 PolarHBondContact O-N 3.06Å
473	I	54	Low	62	Low	136 Å²	136	114.4 Å²	114.4	70%	0.697	65%	0.652	S	S	*	*			trans	-58.5	125.8	164.4	-69.9	164.6	0	0	0	107.5	S471 L475	S471-I473 VanDerWaalsContact C-N 3.25Å; S471-I473 PolarHBondContact O-N 2.94Å; I473-L475 PolarHBondContact O-N 3.12Å
474	D	48.6	Very low	59.8	Low	115 Å²	115	122.7 Å²	122.7	62%	0.615	70%	0.698	S	S	*	*			trans	-61	95	180	-145.8	-12.1	0	0	0	109.3	S472 C476 S477	S472-D474 PolarHBondContact O-N 3.06Å; D474-C476 PolarHBondContact O-N 2.91Å; D474-S477 PolarHBondContact O-N 3.49Å; D474-S477 VanDerWaalsContact O-N 3.15Å; D474-S477 PolarHBondContact O-OG 3.29Å
475	L	49.3	Very low	58.4	Low	148 Å²	148	123.8 Å²	123.8	78%	0.775	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-3.2	-177.1	-138.8	81.6	0	0	0	112.4	I473	I473-L475 PolarHBondContact O-N 3.12Å
476	C	48.8	Very low	56.9	Low	118 Å²	118	127.8 Å²	127.8	80%	0.797	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-13.8	177.2	-154.5	0	0	0	0	113.7	D474	D474-C476 PolarHBondContact O-N 2.91Å
477	S	51	Low	55.2	Low	91 Å²	91	126.8 Å²	126.8	64%	0.636	73%	0.728	S	S	*	*	S	Bend	trans	-97.6	-2.7	-176	14.6	0	0	0	0	115.9	D474	D474-S477 PolarHBondContact O-N 3.49Å; D474-S477 VanDerWaalsContact O-N 3.15Å; D474-S477 PolarHBondContact O-OG 3.29Å
478	T	48	Very low	53.6	Low	96 Å²	96	127.4 Å²	127.4	59%	0.589	74%	0.739	S	S	*	*			trans	-119.4	20.8	-169.7	33.5	0	0	0	0	115.6	P480	T478-P480 WeakPolarHBondContact O-CD 3.2Å
479	L	43.3	Very low	52	Low	154 Å²	154	131.9 Å²	131.9	81%	0.806	76%	0.756	S	S	*	*			trans	-101.6	109	166.4	-69.4	177.7	0	0	0	109.4	L481	L479-L481 PolarHBondContact O-N 3.31Å
480	P	45.6	Very low	50.4	Low	105 Å²	105	131.2 Å²	131.2	68%	0.682	76%	0.762	S	S	*	*			trans	-59.4	122.3	166.3	-14.6	28.5	0	0	0	108.2	T478 E482	T478-P480 WeakPolarHBondContact O-CD 3.2Å; P480-E482 VanDerWaalsContact C-N 3.27Å; P480-E482 HydrophobicContact CB-CG 4.33Å; P480-E482 PolarHBondContact O-N 3.08Å
481	L	44.3	Very low	48.8	Very low	176 Å²	176	133.5 Å²	133.5	92%	0.921	77%	0.767	S	S	*	*			trans	-68.7	94.6	157.2	-72.9	166	0	0	0	105.9	L479	L479-L481 PolarHBondContact O-N 3.31Å
482	E	48.5	Very low	47.7	Very low	180 Å²	180	137.2 Å²	137.2	84%	0.841	78%	0.78	S	S	*	*			trans	-96.4	121.8	161.1	-74.9	-170.4	170.2	0	0	108.5	P480	P480-E482 VanDerWaalsContact C-N 3.27Å; P480-E482 HydrophobicContact CB-CG 4.33Å; P480-E482 PolarHBondContact O-N 3.08Å
483	D	39	Very low	47.1	Very low	161 Å²	161	141.4 Å²	141.4	86%	0.861	80%	0.795	S	S	*	*			trans	-61.4	128.9	178.8	-64.7	-56.8	0	0	0	112.4
484	V	44.9	Very low	46.5	Very low	217 Å²	217	141.9 Å²	141.9	100%	1.315	80%	0.804	S	S	*	*			trans	-143.3	0	149.6	-178.7	0	0	0	0	109.6

Retrieved 484 of 484 residues in 415.3 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).