A0A3Q0KSQ4_SCHMA Loading...

Putative neuropeptide receptor

AlphaFold DB (A0A5K4EXN7), UniProt , Accession A0A3Q0KSQ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 458 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	26.8	Very low	29.4	Very low	184 Å²	184	95.1 Å²	95.1	91%	0.906	55%	0.545	S	S	*	.				0	132.7	0	-87.4	172.1	155.1	0	0	109.7	D310	M1-D310 PolarHBondContact N-OD2 2.96Å; M1-D310 VanDerWaalsContact N-OD2 3.11Å
2	N	28.1	Very low	29.2	Very low	79 Å²	79	100.6 Å²	100.6	42%	0.422	56%	0.562	S	S	.	*			trans	74.1	23.8	165.8	-74.5	1.7	0	0	0	122.7	F4 S5 S6	N2-F4 PolarHBondContact O-N 3.47Å; N2-S5 WeakPolarHBondContact CA-OG 3.43Å; N2-S5 PolarHBondContact O-N 3.41Å; N2-S5 VanDerWaalsContact O-N 3.15Å; N2-S5 WeakPolarHBondContact OD1-CB 3.35Å; N2-S5 PolarHBondContact OD1-OG 3.49Å; N2-S6 PolarHBondContact O-N 3.36Å; N2-S6 PolarHBondContact O-OG 3.14Å
3	N	31.6	Very low	29	Very low	93 Å²	93	105.5 Å²	105.5	50%	0.497	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.5	-0.9	175.9	-81.3	0.9	0	0	0	115.7
4	F	33.2	Very low	29.1	Very low	58 Å²	58	106.4 Å²	106.4	25%	0.254	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-133.4	5.9	163.3	-99.1	-82.8	0	0	0	113.7	N2 Q282 L301 E403 R407	N2-F4 PolarHBondContact O-N 3.47Å; F4-Q282 PolarHBondContact O-NE2 2.86Å; F4-L301 HydrophobicContact CB-CD1 3.74Å; F4-L301 HydrophobicContact CD1-CD1 4.07Å; F4-L301 HydrophobicContact CG-CD1 3.92Å; F4-E403 HydrophobicContact CE1-CG 4.09Å; F4-E403 VanDerWaalsContact CE1-OE1 3.31Å; F4-E403 WeakPolarHBondContact CE1-OE1 3.43Å; F4-R407 HydrophobicContact CE1-CG 4.3Å; F4-R407 HydrophobicContact CZ-CG 4.06Å
5	S	28.7	Very low	29	Very low	49 Å²	49	110.4 Å²	110.4	34%	0.343	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-125.1	-10	-174.5	23.3	0	0	0	0	115	N2	N2-S5 WeakPolarHBondContact CA-OG 3.43Å; N2-S5 PolarHBondContact O-N 3.41Å; N2-S5 VanDerWaalsContact O-N 3.15Å; N2-S5 WeakPolarHBondContact OD1-CB 3.35Å; N2-S5 PolarHBondContact OD1-OG 3.49Å
6	S	28.8	Very low	29	Very low	63 Å²	63	116.8 Å²	116.8	44%	0.441	62%	0.619	S	S	.	*	S	Bend	trans	-90.6	-4.8	174.6	57.5	0	0	0	0	114.5	N2	N2-S6 PolarHBondContact O-N 3.36Å; N2-S6 PolarHBondContact O-OG 3.14Å
7	V	31.6	Very low	29.1	Very low	81 Å²	81	115 Å²	115	49%	0.491	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-88	-11	-178.8	-174.9	0	0	0	0	112.2	E403	V7-E403 HydrophobicContact CG1-CB 4.29Å
8	Y	30.3	Very low	29.2	Very low	118 Å²	118	113.2 Å²	113.2	46%	0.463	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-89.1	3.3	-179.1	-85.2	-89.2	0	0	0	115.1
9	E	27.6	Very low	29.4	Very low	144 Å²	144	112.9 Å²	112.9	67%	0.673	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-109.9	16.4	-174	-119.8	177.6	175.2	0	0	115.4	N285	E9-N285 PolarHBondContact OE1-ND2 3.49Å
10	S	28.1	Very low	29.9	Very low	96 Å²	96	112.8 Å²	112.8	67%	0.671	63%	0.627	S	S	*	*			trans	-143.6	54.7	169.6	52.2	0	0	0	0	112.9	Q12	S10-Q12 PolarHBondContact O-N 3.28Å; S10-Q12 VanDerWaalsContact O-N 3.08Å
11	G	28.4	Very low	30.4	Very low	81 Å²	81	110.6 Å²	110.6	84%	0.835	62%	0.616	S	S	*	*			trans	-78.1	53.9	160.8	0	0	0	0	0	111.7
12	Q	27.6	Very low	30.9	Very low	161 Å²	161	107.3 Å²	107.3	75%	0.752	60%	0.603	S	S	*	*			trans	-84.7	133.3	157.8	-82.5	-163.7	-19.6	0	0	107.7	S10 N14	S10-Q12 PolarHBondContact O-N 3.28Å; S10-Q12 VanDerWaalsContact O-N 3.08Å; Q12-N14 PolarHBondContact O-N 2.66Å
13	L	26.6	Very low	31.3	Very low	165 Å²	165	112.4 Å²	112.4	86%	0.864	62%	0.623	S	S	*	*			trans	-36	102.6	172.2	-81.9	80.6	0	0	0	110.9
14	N	30.1	Very low	31.9	Very low	117 Å²	117	115 Å²	115	63%	0.626	64%	0.635	S	S	*	*			trans	-119.6	102.4	165.9	-75.7	-36.6	0	0	0	108.1	Q12 W16	Q12-N14 PolarHBondContact O-N 2.66Å; N14-W16 PolarHBondContact O-N 2.78Å; N14-W16 VanDerWaalsContact O-N 3.09Å
15	I	27.7	Very low	32.6	Very low	167 Å²	167	114 Å²	114	86%	0.856	63%	0.633	S	S	*	*			trans	-63	95.1	163.1	-63.1	161.8	0	0	0	106.1	S17	I15-S17 PolarHBondContact O-N 3.33Å
16	W	29.2	Very low	33.2	Very low	212 Å²	212	118 Å²	118	80%	0.803	65%	0.65	S	S	*	*			trans	-91	92	172.2	-79.4	73.9	0	0	0	109.6	N14 T18	N14-W16 PolarHBondContact O-N 2.78Å; N14-W16 VanDerWaalsContact O-N 3.09Å; W16-T18 PolarHBondContact O-N 3.42Å
17	S	30.3	Very low	34.1	Very low	87 Å²	87	120.5 Å²	120.5	61%	0.608	66%	0.663	S	S	*	*			trans	8.3	97	137.4	50.3	0	0	0	0	117.3	I15 S19	I15-S17 PolarHBondContact O-N 3.33Å; S17-S19 VanDerWaalsContact C-N 3.3Å; S17-S19 PolarHBondContact O-N 2.8Å
18	T	31.7	Very low	35	Very low	82 Å²	82	120 Å²	120	50%	0.503	66%	0.66	S	S	.	*			trans	-82.3	78.2	150.8	43.3	0	0	0	0	109.4	W16 S20 V21 N22	W16-T18 PolarHBondContact O-N 3.42Å; T18-S20 PolarHBondContact O-N 3.44Å; T18-S20 VanDerWaalsContact O-N 3.13Å; T18-V21 HydrophobicContact CG2-CG2 4.38Å; T18-V21 PolarHBondContact O-N 3.49Å; T18-N22 PolarHBondContact O-OD1 3.43Å
19	S	33.1	Very low	36	Very low	109 Å²	109	120 Å²	120	76%	0.762	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	3.8	169.7	50.3	0	0	0	0	113.8	S17	S17-S19 VanDerWaalsContact C-N 3.3Å; S17-S19 PolarHBondContact O-N 2.8Å
20	S	39.5	Very low	37	Very low	109 Å²	109	120 Å²	120	76%	0.762	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.3	-0.5	179.2	50.7	0	0	0	0	114.8	T18	T18-S20 PolarHBondContact O-N 3.44Å; T18-S20 VanDerWaalsContact O-N 3.13Å
21	V	39.2	Very low	38.4	Very low	67 Å²	67	122.6 Å²	122.6	41%	0.406	67%	0.674	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.9	-21	179.4	175.5	0	0	0	0	111.9	T18 H23 I24 D25	T18-V21 HydrophobicContact CG2-CG2 4.38Å; T18-V21 PolarHBondContact O-N 3.49Å; V21-H23 PolarHBondContact O-N 2.85Å; V21-I24 PolarHBondContact O-N 3.14Å; V21-D25 WeakPolarHBondContact CG1-OD2 3.22Å
22	N	36.7	Very low	39.7	Very low	116 Å²	116	121.2 Å²	121.2	62%	0.62	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	3.5	-176.2	-68	3.9	0	0	0	116.5	T18	T18-N22 PolarHBondContact O-OD1 3.43Å
23	H	36.8	Very low	41.3	Very low	186 Å²	186	116.8 Å²	116.8	86%	0.861	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-5.1	177.9	-136.2	-50.4	0	0	0	114.3	V21	V21-H23 PolarHBondContact O-N 2.85Å
24	I	45.2	Very low	43	Very low	146 Å²	146	115.4 Å²	115.4	75%	0.749	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	-18	179.6	-63.3	178.7	0	0	0	112.5	V21	V21-I24 PolarHBondContact O-N 3.14Å
25	D	47.9	Very low	44.7	Very low	38 Å²	38	115.3 Å²	115.3	20%	0.203	63%	0.627	C	S	.	*	G	3₁₀ helix	trans	-95.8	2.6	-164.9	-69	-34.7	0	0	0	117.2	V21 V27 T28 E29	V21-D25 WeakPolarHBondContact CG1-OD2 3.22Å; D25-V27 PolarHBondContact O-N 3.17Å; D25-T28 PolarHBondContact O-N 3.16Å; D25-E29 PolarHBondContact O-N 3.29Å
26	N	40.6	Very low	46.4	Very low	132 Å²	132	112.2 Å²	112.2	71%	0.706	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-66.7	-7.3	179.6	-117	12.2	0	0	0	114.4
27	V	48.1	Very low	47.8	Very low	117 Å²	117	105.8 Å²	105.8	71%	0.709	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-102.4	-24.7	178	-177	0	0	0	0	111.8	D25	D25-V27 PolarHBondContact O-N 3.17Å
28	T	50.7	Low	49.2	Very low	70 Å²	70	107.6 Å²	107.6	43%	0.429	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.6	-26.5	-176	2.8	0	0	0	0	113.2	D25 N30 L31	D25-T28 PolarHBondContact O-N 3.16Å; T28-N30 PolarHBondContact O-N 3.48Å; T28-L31 PolarHBondContact O-N 2.72Å
29	E	50	Low	50.5	Low	119 Å²	119	108 Å²	108	56%	0.556	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-26	177.6	-96.8	-175.7	158.3	0	0	114	D25 L31	D25-E29 PolarHBondContact O-N 3.29Å; E29-L31 PolarHBondContact O-N 2.81Å
30	N	50.1	Low	51.3	Low	143 Å²	143	108.9 Å²	108.9	77%	0.765	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-1.6	-177.3	-74.5	-38.8	0	0	0	114.7	T28	T28-N30 PolarHBondContact O-N 3.48Å
31	L	55.8	Low	52	Low	150 Å²	150	107.3 Å²	107.3	79%	0.785	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	-13.1	-173.8	-86.9	153.6	0	0	0	114.7	T28 E29	T28-L31 PolarHBondContact O-N 2.72Å; E29-L31 PolarHBondContact O-N 2.81Å
32	M	57.1	Low	52.9	Low	52 Å²	52	109 Å²	109	26%	0.256	56%	0.559	S	S	.	*	S	Bend	trans	-108.8	130.3	176.5	-69.9	177.6	74.7	0	0	109.7	M36 Y40	M32-M36 HydrophobicContact CB-CB 4.42Å; M32-M36 HydrophobicContact CB-SD 4.4Å; M32-M36 HydrophobicContact CE-CB 4.13Å; M32-M36 HydrophobicContact CE-CG 3.61Å; M32-M36 HydrophobicContact CE-SD 3.7Å; M32-M36 HydrophobicContact CG-SD 3.96Å; M32-Y40 HydrophobicContact CE-CG 4.33Å
33	S	61.4	Low	53.8	Low	68 Å²	68	108 Å²	108	48%	0.476	55%	0.553	S	S	.	*			trans	-59.1	146.1	167.7	61	0	0	0	0	109.3	D35 M36 Y37	S33-D35 PolarHBondContact O-N 3.13Å; S33-D35 VanDerWaalsContact O-N 3.07Å; S33-M36 WeakPolarHBondContact O-CA 3.13Å; S33-M36 WeakPolarHBondContact O-CB 3.33Å; S33-M36 PolarHBondContact O-N 3.37Å; S33-M36 PolarHBondContact OG-N 2.68Å; S33-Y37 PolarHBondContact O-N 2.77Å
34	N	61.8	Low	54.5	Low	136 Å²	136	103.3 Å²	103.3	73%	0.727	53%	0.531	S	S	*	.	H	α-helix	trans	-48.5	-39.3	178.4	-79	-9.1	0	0	0	112.2	M36 Y37 E38	N34-M36 PolarHBondContact O-N 2.84Å; N34-Y37 PolarHBondContact O-N 3.37Å; N34-E38 PolarHBondContact O-N 3.38Å
35	D	66.8	Low	55.2	Low	115 Å²	115	103.6 Å²	103.6	62%	0.615	53%	0.527	S	S	*	.	H	α-helix	trans	-62.4	-39.3	175.9	-61.5	-24.4	0	0	0	112.9	S33 N39	S33-D35 PolarHBondContact O-N 3.13Å; S33-D35 VanDerWaalsContact O-N 3.07Å; D35-N39 VanDerWaalsContact O-CB 3.25Å; D35-N39 WeakPolarHBondContact O-CB 3.26Å; D35-N39 VanDerWaalsContact O-CG 3.23Å; D35-N39 PolarHBondContact O-N 3.34Å; D35-N39 PolarHBondContact O-ND2 3.47Å
36	M	62.9	Low	56.1	Low	102 Å²	102	106.4 Å²	106.4	50%	0.502	54%	0.542	S	S	.	.	H	α-helix	trans	-71	-36.8	178.4	-163	-167.9	-58.3	0	0	110.9	M32 S33 N34 Y40	M32-M36 HydrophobicContact CB-CB 4.42Å; M32-M36 HydrophobicContact CB-SD 4.4Å; M32-M36 HydrophobicContact CE-CB 4.13Å; M32-M36 HydrophobicContact CE-CG 3.61Å; M32-M36 HydrophobicContact CE-SD 3.7Å; M32-M36 HydrophobicContact CG-SD 3.96Å; S33-M36 WeakPolarHBondContact O-CA 3.13Å; S33-M36 WeakPolarHBondContact O-CB 3.33Å; S33-M36 PolarHBondContact O-N 3.37Å; S33-M36 PolarHBondContact OG-N 2.68Å; N34-M36 PolarHBondContact O-N 2.84Å; M36-Y40 WeakPolarHBondContact O-CB 3.37Å; M36-Y40 PolarHBondContact O-N 2.74Å
37	Y	57.4	Low	57.2	Low	77 Å²	77	106 Å²	106	30%	0.302	54%	0.536	S	S	.	.	H	α-helix	trans	-68.5	-44.6	176	-173.2	-107.1	0	0	0	112	S33 N34 Y40 I41	S33-Y37 PolarHBondContact O-N 2.77Å; N34-Y37 PolarHBondContact O-N 3.37Å; Y37-Y40 PolarHBondContact O-N 2.96Å; Y37-I41 HydrophobicContact CD1-CD1 3.74Å; Y37-I41 HydrophobicContact CE1-CD1 3.26Å; Y37-I41 HydrophobicContact CE1-CG1 4.28Å; Y37-I41 HydrophobicContact CE2-CD1 4.32Å; Y37-I41 HydrophobicContact CG-CD1 4.46Å; Y37-I41 WeakPolarHBondContact O-CG1 3.19Å; Y37-I41 PolarHBondContact O-N 3.4Å
38	E	59.7	Low	58.1	Low	126 Å²	126	103.8 Å²	103.8	59%	0.589	52%	0.523	S	S	*	.	H	α-helix	trans	-61.5	-46	173.5	-75.4	-158.5	162.6	0	0	111.6	N34 Y40 I41 I42	N34-E38 PolarHBondContact O-N 3.38Å; E38-Y40 VanDerWaalsContact C-N 3.33Å; E38-Y40 PolarHBondContact O-N 3.35Å; E38-I41 PolarHBondContact O-N 3.38Å; E38-I42 WeakPolarHBondContact O-CB 3.34Å; E38-I42 WeakPolarHBondContact O-CD1 3.24Å; E38-I42 WeakPolarHBondContact O-CG1 3.35Å; E38-I42 PolarHBondContact O-N 3.29Å
39	N	59.1	Low	59.3	Low	91 Å²	91	103.5 Å²	103.5	49%	0.487	52%	0.524	S	S	.	.	H	α-helix	trans	-61.7	-40.9	175.6	-77.9	-48.6	0	0	0	111.9	D35 I42 I43	D35-N39 VanDerWaalsContact O-CB 3.25Å; D35-N39 WeakPolarHBondContact O-CB 3.26Å; D35-N39 VanDerWaalsContact O-CG 3.23Å; D35-N39 PolarHBondContact O-N 3.34Å; D35-N39 PolarHBondContact O-ND2 3.47Å; N39-I42 PolarHBondContact O-N 3.36Å; N39-I43 WeakPolarHBondContact O-CB 3.21Å; N39-I43 WeakPolarHBondContact O-CD1 3.37Å; N39-I43 WeakPolarHBondContact O-CG1 3.47Å; N39-I43 PolarHBondContact O-N 3.27Å
40	Y	50.7	Low	60.8	Low	127 Å²	127	101.9 Å²	101.9	50%	0.498	52%	0.518	S	S	.	.	H	α-helix	trans	-61.8	-46.4	175.9	177.2	-98.6	0	0	0	111.8	M32 M36 Y37 E38 I42 I43 H44	M32-Y40 HydrophobicContact CE-CG 4.33Å; M36-Y40 WeakPolarHBondContact O-CB 3.37Å; M36-Y40 PolarHBondContact O-N 2.74Å; Y37-Y40 PolarHBondContact O-N 2.96Å; E38-Y40 VanDerWaalsContact C-N 3.33Å; E38-Y40 PolarHBondContact O-N 3.35Å; Y40-I42 VanDerWaalsContact C-N 3.34Å; Y40-I42 PolarHBondContact O-N 2.78Å; Y40-I43 PolarHBondContact O-N 2.8Å; Y40-H44 AromaticContact CZ-CD2 3.92Å; Y40-H44 VanDerWaalsContact O-CB 3.26Å; Y40-H44 WeakPolarHBondContact O-CB 3.44Å; Y40-H44 PolarHBondContact O-N 2.88Å
41	I	53.1	Low	62.4	Low	76 Å²	76	101.9 Å²	101.9	39%	0.39	51%	0.511	S	S	.	.	H	α-helix	trans	-60.9	-43.9	175.6	-70.6	175.3	0	0	0	110.7	Y37 E38 K45	Y37-I41 HydrophobicContact CD1-CD1 3.74Å; Y37-I41 HydrophobicContact CE1-CD1 3.26Å; Y37-I41 HydrophobicContact CE1-CG1 4.28Å; Y37-I41 HydrophobicContact CE2-CD1 4.32Å; Y37-I41 HydrophobicContact CG-CD1 4.46Å; Y37-I41 WeakPolarHBondContact O-CG1 3.19Å; Y37-I41 PolarHBondContact O-N 3.4Å; E38-I41 PolarHBondContact O-N 3.38Å; I41-K45 WeakPolarHBondContact O-CB 3.27Å; I41-K45 PolarHBondContact O-N 3.19Å
42	I	58.8	Low	63.7	Low	101 Å²	101	98.6 Å²	98.6	52%	0.518	49%	0.494	S	S	.	.	H	α-helix	trans	-63.5	-47.4	179.3	-68.7	164.4	0	0	0	110.6	E38 N39 Y40 K45 N46	E38-I42 WeakPolarHBondContact O-CB 3.34Å; E38-I42 WeakPolarHBondContact O-CD1 3.24Å; E38-I42 WeakPolarHBondContact O-CG1 3.35Å; E38-I42 PolarHBondContact O-N 3.29Å; N39-I42 PolarHBondContact O-N 3.36Å; Y40-I42 VanDerWaalsContact C-N 3.34Å; Y40-I42 PolarHBondContact O-N 2.78Å; I42-K45 PolarHBondContact O-N 3.36Å; I42-N46 VanDerWaalsContact O-CB 3.26Å; I42-N46 WeakPolarHBondContact O-CB 2.88Å; I42-N46 PolarHBondContact O-N 3.22Å
43	I	55.3	Low	64.9	Low	95 Å²	95	98.1 Å²	98.1	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-62.4	-50.3	179.1	-68.2	164.3	0	0	0	110	N39 Y40 K45 N46 E47	N39-I43 WeakPolarHBondContact O-CB 3.21Å; N39-I43 WeakPolarHBondContact O-CD1 3.37Å; N39-I43 WeakPolarHBondContact O-CG1 3.47Å; N39-I43 PolarHBondContact O-N 3.27Å; Y40-I43 PolarHBondContact O-N 2.8Å; I43-K45 VanDerWaalsContact C-N 3.34Å; I43-K45 PolarHBondContact O-N 3.25Å; I43-N46 WeakPolarHBondContact O-CB 3.13Å; I43-N46 PolarHBondContact O-N 2.81Å; I43-N46 VanDerWaalsContact O-N 3.09Å; I43-E47 HydrophobicContact CG2-CG 4.37Å; I43-E47 WeakPolarHBondContact O-CG 3.38Å; I43-E47 PolarHBondContact O-N 3.09Å
44	H	53	Low	66.1	Low	88 Å²	88	99.6 Å²	99.6	41%	0.407	50%	0.498	S	S	.	.	H	α-helix	trans	-67	-35.1	-177.2	-157.6	-65.4	0	0	0	112	Y40 T48	Y40-H44 AromaticContact CZ-CD2 3.92Å; Y40-H44 VanDerWaalsContact O-CB 3.26Å; Y40-H44 WeakPolarHBondContact O-CB 3.44Å; Y40-H44 PolarHBondContact O-N 2.88Å; H44-T48 WeakPolarHBondContact O-CB 3.17Å; H44-T48 VanDerWaalsContact O-CG2 3.3Å; H44-T48 WeakPolarHBondContact O-CG2 3.24Å; H44-T48 PolarHBondContact O-N 3.36Å; H44-T48 PolarHBondContact O-OG1 3.35Å
45	K	60	Low	67.4	Low	153 Å²	153	97.2 Å²	97.2	67%	0.665	48%	0.484	S	S	*	.	H	α-helix	trans	-67.4	-36.4	172.3	-172.7	176.1	-179	179	0	111.7	I41 I42 I43 T48 S49	I41-K45 WeakPolarHBondContact O-CB 3.27Å; I41-K45 PolarHBondContact O-N 3.19Å; I42-K45 PolarHBondContact O-N 3.36Å; I43-K45 VanDerWaalsContact C-N 3.34Å; I43-K45 PolarHBondContact O-N 3.25Å; K45-T48 WeakPolarHBondContact CA-OG1 3.37Å; K45-T48 PolarHBondContact O-OG1 3.01Å; K45-T48 VanDerWaalsContact O-OG1 3.12Å; K45-S49 WeakPolarHBondContact O-CB 3.43Å; K45-S49 PolarHBondContact O-N 3.23Å; K45-S49 VanDerWaalsContact O-N 3.08Å
46	N	65.7	Low	68.3	Low	97 Å²	97	93.5 Å²	93.5	52%	0.519	47%	0.466	S	S	.	.	H	α-helix	trans	-70.8	-44.7	176.5	-162.7	25.7	0	0	0	111.4	I42 I43 S49 I50	I42-N46 VanDerWaalsContact O-CB 3.26Å; I42-N46 WeakPolarHBondContact O-CB 2.88Å; I42-N46 PolarHBondContact O-N 3.22Å; I43-N46 WeakPolarHBondContact O-CB 3.13Å; I43-N46 PolarHBondContact O-N 2.81Å; I43-N46 VanDerWaalsContact O-N 3.09Å; N46-S49 WeakPolarHBondContact O-CB 3.21Å; N46-S49 PolarHBondContact O-N 3.06Å; N46-I50 WeakPolarHBondContact O-CD1 3.4Å; N46-I50 VanDerWaalsContact O-CG1 3.22Å; N46-I50 WeakPolarHBondContact O-CG1 3.19Å; N46-I50 PolarHBondContact O-N 3.3Å
47	E	64.5	Low	69.6	Low	122 Å²	122	92.8 Å²	92.8	57%	0.57	46%	0.46	S	S	*	.	H	α-helix	trans	-62.9	-47.1	177.1	-73.2	-171.5	165	0	0	112.4	I43 S49 I50 F51	I43-E47 HydrophobicContact CG2-CG 4.37Å; I43-E47 WeakPolarHBondContact O-CG 3.38Å; I43-E47 PolarHBondContact O-N 3.09Å; E47-S49 VanDerWaalsContact C-N 3.3Å; E47-S49 PolarHBondContact O-N 3.38Å; E47-I50 PolarHBondContact O-N 2.86Å; E47-F51 PolarHBondContact O-N 3.12Å
48	T	66.6	Low	71.2	Confident	72 Å²	72	91.5 Å²	91.5	44%	0.442	46%	0.462	S	S	.	.	H	α-helix	trans	-62	-38.6	176	49.5	0	0	0	0	111.8	H44 K45 L52	H44-T48 WeakPolarHBondContact O-CB 3.17Å; H44-T48 VanDerWaalsContact O-CG2 3.3Å; H44-T48 WeakPolarHBondContact O-CG2 3.24Å; H44-T48 PolarHBondContact O-N 3.36Å; H44-T48 PolarHBondContact O-OG1 3.35Å; K45-T48 WeakPolarHBondContact CA-OG1 3.37Å; K45-T48 PolarHBondContact O-OG1 3.01Å; K45-T48 VanDerWaalsContact O-OG1 3.12Å; T48-L52 VanDerWaalsContact O-CB 3.29Å; T48-L52 WeakPolarHBondContact O-CB 3.44Å; T48-L52 PolarHBondContact O-N 3.08Å
49	S	75.7	Confident	72.8	Confident	63 Å²	63	87.5 Å²	87.5	44%	0.441	45%	0.446	S	S	.	.	H	α-helix	trans	-64.2	-43.7	173.5	-174.1	0	0	0	0	112.2	K45 N46 E47 L52 S53	K45-S49 WeakPolarHBondContact O-CB 3.43Å; K45-S49 PolarHBondContact O-N 3.23Å; K45-S49 VanDerWaalsContact O-N 3.08Å; N46-S49 WeakPolarHBondContact O-CB 3.21Å; N46-S49 PolarHBondContact O-N 3.06Å; E47-S49 VanDerWaalsContact C-N 3.3Å; E47-S49 PolarHBondContact O-N 3.38Å; S49-L52 PolarHBondContact O-N 2.84Å; S49-S53 WeakPolarHBondContact O-CB 3.15Å; S49-S53 PolarHBondContact O-N 2.9Å; S49-S53 PolarHBondContact O-OG 2.97Å
50	I	81.7	Confident	74.3	Confident	86 Å²	86	83.5 Å²	83.5	44%	0.441	42%	0.424	S	S	.	.	H	α-helix	trans	-63.4	-47.7	178.3	-69.8	162.3	0	0	0	110.3	N46 E47 L52 S53 I54	N46-I50 WeakPolarHBondContact O-CD1 3.4Å; N46-I50 VanDerWaalsContact O-CG1 3.22Å; N46-I50 WeakPolarHBondContact O-CG1 3.19Å; N46-I50 PolarHBondContact O-N 3.3Å; E47-I50 PolarHBondContact O-N 2.86Å; I50-L52 PolarHBondContact O-N 3.38Å; I50-S53 PolarHBondContact O-N 2.91Å; I50-I54 HydrophobicContact CG2-CD1 3.73Å; I50-I54 HydrophobicContact CG2-CG1 4.41Å; I50-I54 VanDerWaalsContact O-CG1 3.31Å; I50-I54 WeakPolarHBondContact O-CG1 3.37Å; I50-I54 PolarHBondContact O-N 3.32Å
51	F	83.7	Confident	76.3	Confident	142 Å²	142	80.3 Å²	80.3	62%	0.623	42%	0.415	S	S	*	.	H	α-helix	trans	-60.4	-46.2	178.2	-179.1	-94.1	0	0	0	111.8	E47 S53 I54 L55	E47-F51 PolarHBondContact O-N 3.12Å; F51-S53 VanDerWaalsContact C-N 3.34Å; F51-S53 PolarHBondContact O-N 3.26Å; F51-I54 PolarHBondContact O-N 2.76Å; F51-L55 WeakPolarHBondContact O-CB 3.37Å; F51-L55 PolarHBondContact O-N 3.08Å
52	L	82.5	Confident	78.3	Confident	81 Å²	81	81.7 Å²	81.7	42%	0.424	42%	0.422	S	S	.	.	H	α-helix	trans	-61.7	-42.8	177.3	-177.3	62.5	0	0	0	111.4	T48 S49 I50 L55 V56	T48-L52 VanDerWaalsContact O-CB 3.29Å; T48-L52 WeakPolarHBondContact O-CB 3.44Å; T48-L52 PolarHBondContact O-N 3.08Å; S49-L52 PolarHBondContact O-N 2.84Å; I50-L52 PolarHBondContact O-N 3.38Å; L52-L55 PolarHBondContact O-N 3.5Å; L52-V56 HydrophobicContact CD1-CG2 4.32Å; L52-V56 HydrophobicContact CG-CG2 4.49Å; L52-V56 WeakPolarHBondContact O-CB 3.49Å; L52-V56 VanDerWaalsContact O-CG2 3.26Å; L52-V56 WeakPolarHBondContact O-CG2 3.21Å; L52-V56 PolarHBondContact O-N 3.18Å
53	S	82.1	Confident	80	Confident	42 Å²	42	77 Å²	77	29%	0.294	40%	0.399	S	S	.	.	H	α-helix	trans	-62.8	-44.1	176.5	-75.2	0	0	0	0	112.5	S49 I50 F51 L55 V56 F57	S49-S53 WeakPolarHBondContact O-CB 3.15Å; S49-S53 PolarHBondContact O-N 2.9Å; S49-S53 PolarHBondContact O-OG 2.97Å; I50-S53 PolarHBondContact O-N 2.91Å; F51-S53 VanDerWaalsContact C-N 3.34Å; F51-S53 PolarHBondContact O-N 3.26Å; S53-L55 VanDerWaalsContact C-N 3.33Å; S53-L55 PolarHBondContact O-N 3.36Å; S53-V56 PolarHBondContact O-N 3.41Å; S53-F57 VanDerWaalsContact O-CB 3.3Å; S53-F57 WeakPolarHBondContact O-CB 3.33Å; S53-F57 PolarHBondContact O-N 3.13Å
54	I	87.5	Confident	81.8	Confident	99 Å²	99	75.1 Å²	75.1	51%	0.508	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-42.3	175.7	-68.5	167.8	0	0	0	110.6	I50 F51 F57 S58	I50-I54 HydrophobicContact CG2-CD1 3.73Å; I50-I54 HydrophobicContact CG2-CG1 4.41Å; I50-I54 VanDerWaalsContact O-CG1 3.31Å; I50-I54 WeakPolarHBondContact O-CG1 3.37Å; I50-I54 PolarHBondContact O-N 3.32Å; F51-I54 PolarHBondContact O-N 2.76Å; I54-F57 PolarHBondContact O-N 2.94Å; I54-S58 VanDerWaalsContact O-CB 3.3Å; I54-S58 WeakPolarHBondContact O-CB 3.45Å; I54-S58 PolarHBondContact O-N 3.41Å; I54-S58 PolarHBondContact O-OG 2.98Å
55	L	88.5	Confident	83.8	Confident	86 Å²	86	74.9 Å²	74.9	45%	0.45	39%	0.39	S	S	.	.	H	α-helix	trans	-61.9	-50.6	177.9	179.7	65.9	0	0	0	111	F51 L52 S53 F57 S58 V59	F51-L55 WeakPolarHBondContact O-CB 3.37Å; F51-L55 PolarHBondContact O-N 3.08Å; L52-L55 PolarHBondContact O-N 3.5Å; S53-L55 VanDerWaalsContact C-N 3.33Å; S53-L55 PolarHBondContact O-N 3.36Å; L55-F57 VanDerWaalsContact C-N 3.33Å; L55-F57 PolarHBondContact O-N 3.18Å; L55-S58 PolarHBondContact O-N 2.76Å; L55-V59 HydrophobicContact CD1-CG2 4.17Å; L55-V59 HydrophobicContact CG-CG2 4.44Å; L55-V59 VanDerWaalsContact O-CB 3.3Å; L55-V59 WeakPolarHBondContact O-CB 3.45Å; L55-V59 WeakPolarHBondContact O-CG2 3.15Å; L55-V59 PolarHBondContact O-N 3.42Å
56	V	86.6	Confident	85.5	Confident	37 Å²	37	69.8 Å²	69.8	22%	0.224	37%	0.374	C	S	.	.	H	α-helix	trans	-58.9	-46	178.5	169.4	0	0	0	0	110.6	L52 S53 V59 Y60 F193	L52-V56 HydrophobicContact CD1-CG2 4.32Å; L52-V56 HydrophobicContact CG-CG2 4.49Å; L52-V56 WeakPolarHBondContact O-CB 3.49Å; L52-V56 VanDerWaalsContact O-CG2 3.26Å; L52-V56 WeakPolarHBondContact O-CG2 3.21Å; L52-V56 PolarHBondContact O-N 3.18Å; S53-V56 PolarHBondContact O-N 3.41Å; V56-V59 PolarHBondContact O-N 2.99Å; V56-Y60 HydrophobicContact CG1-CD2 4.11Å; V56-Y60 HydrophobicContact CG1-CE2 4.21Å; V56-Y60 WeakPolarHBondContact O-CD2 3.15Å; V56-Y60 PolarHBondContact O-N 3.05Å; V56-F193 HydrophobicContact CG1-CE2 4.11Å
57	F	89	Confident	86.9	Confident	88 Å²	88	65.2 Å²	65.2	39%	0.386	35%	0.349	S	S	.	.	H	α-helix	trans	-60.3	-48.1	177	-175	-92.2	0	0	0	112.5	S53 I54 L55 V59 Y60 I61 F193 Y197	S53-F57 VanDerWaalsContact O-CB 3.3Å; S53-F57 WeakPolarHBondContact O-CB 3.33Å; S53-F57 PolarHBondContact O-N 3.13Å; I54-F57 PolarHBondContact O-N 2.94Å; L55-F57 VanDerWaalsContact C-N 3.33Å; L55-F57 PolarHBondContact O-N 3.18Å; F57-V59 VanDerWaalsContact C-N 3.35Å; F57-V59 PolarHBondContact O-N 3.34Å; F57-Y60 PolarHBondContact O-N 2.95Å; F57-I61 HydrophobicContact CD1-CD1 3.62Å; F57-I61 HydrophobicContact CD1-CG1 4.42Å; F57-I61 HydrophobicContact CE1-CD1 3.09Å; F57-I61 HydrophobicContact CE1-CG1 4.22Å; F57-I61 HydrophobicContact CE2-CD1 4.34Å; F57-I61 HydrophobicContact CG-CD1 4.45Å; F57-I61 HydrophobicContact CZ-CD1 3.49Å; F57-I61 VanDerWaalsContact CZ-CD1 3.49Å; F57-I61 HydrophobicContact CZ-CG1 4.47Å; F57-I61 WeakPolarHBondContact O-CG1 3.35Å; F57-I61 PolarHBondContact O-N 3.38Å; F57-F193 HydrophobicContact CB-CZ 4.01Å; F57-F193 AromaticContact CD2-CE1 3.5Å; F57-F193 HydrophobicContact CD2-CE1 3.5Å; F57-F193 VanDerWaalsContact CD2-CE1 3.5Å; F57-F193 AromaticContact CD2-CZ 3.46Å; F57-F193 HydrophobicContact CD2-CZ 3.46Å; F57-F193 VanDerWaalsContact CD2-CZ 3.46Å; F57-F193 AromaticContact CE2-CE1 3.85Å; F57-F193 HydrophobicContact CE2-CE1 3.85Å; F57-F193 HydrophobicContact CE2-CZ 4.28Å; F57-F193 HydrophobicContact CG-CE1 4.35Å; F57-F193 HydrophobicContact CG-CZ 4.05Å; F57-Y197 HydrophobicContact CB-CE2 4.44Å
58	S	92.1	Very high	88.4	Confident	49 Å²	49	63.7 Å²	63.7	34%	0.343	34%	0.341	S	S	.	.	H	α-helix	trans	-60.9	-44.4	178.8	-58.6	0	0	0	0	111.7	I54 L55 Y60 I61 I62	I54-S58 VanDerWaalsContact O-CB 3.3Å; I54-S58 WeakPolarHBondContact O-CB 3.45Å; I54-S58 PolarHBondContact O-N 3.41Å; I54-S58 PolarHBondContact O-OG 2.98Å; L55-S58 PolarHBondContact O-N 2.76Å; S58-Y60 PolarHBondContact O-N 3.44Å; S58-I61 PolarHBondContact O-N 3.4Å; S58-I62 WeakPolarHBondContact O-CB 3.26Å; S58-I62 WeakPolarHBondContact O-CD1 3.45Å; S58-I62 VanDerWaalsContact O-CG1 3.24Å; S58-I62 WeakPolarHBondContact O-CG1 3.32Å; S58-I62 PolarHBondContact O-N 2.8Å
59	V	92.3	Very high	89.8	Confident	42 Å²	42	64.5 Å²	64.5	26%	0.255	34%	0.341	S	S	.	.	H	α-helix	trans	-62.5	-43.9	-180	163.5	0	0	0	0	111.4	L55 V56 F57 I62 T63 W415	L55-V59 HydrophobicContact CD1-CG2 4.17Å; L55-V59 HydrophobicContact CG-CG2 4.44Å; L55-V59 VanDerWaalsContact O-CB 3.3Å; L55-V59 WeakPolarHBondContact O-CB 3.45Å; L55-V59 WeakPolarHBondContact O-CG2 3.15Å; L55-V59 PolarHBondContact O-N 3.42Å; V56-V59 PolarHBondContact O-N 2.99Å; F57-V59 VanDerWaalsContact C-N 3.35Å; F57-V59 PolarHBondContact O-N 3.34Å; V59-I62 PolarHBondContact O-N 3.47Å; V59-T63 WeakPolarHBondContact O-CB 3.34Å; V59-T63 PolarHBondContact O-N 3.18Å; V59-T63 PolarHBondContact O-OG1 3.5Å; V59-T63 VanDerWaalsContact O-OG1 3.06Å; V59-W415 HydrophobicContact CG1-CD2 3.99Å; V59-W415 HydrophobicContact CG1-CG 4.33Å; V59-W415 HydrophobicContact CG1-CH2 4.32Å; V59-W415 HydrophobicContact CG1-CZ2 3.37Å
60	Y	91.4	Very high	90.7	Very high	7 Å²	7	62.2 Å²	62.2	3%	0.027	33%	0.328	C	S	.	.	H	α-helix	trans	-68.1	-38.2	176.6	-91.6	-97.6	0	0	0	113.3	V56 F57 S58 T63 M64 I189 F193 G411 H414 W415	V56-Y60 HydrophobicContact CG1-CD2 4.11Å; V56-Y60 HydrophobicContact CG1-CE2 4.21Å; V56-Y60 WeakPolarHBondContact O-CD2 3.15Å; V56-Y60 PolarHBondContact O-N 3.05Å; F57-Y60 PolarHBondContact O-N 2.95Å; S58-Y60 PolarHBondContact O-N 3.44Å; Y60-T63 WeakPolarHBondContact O-CB 3.15Å; Y60-T63 PolarHBondContact O-N 3.01Å; Y60-M64 WeakPolarHBondContact O-CB 3.38Å; Y60-M64 PolarHBondContact O-N 3.43Å; Y60-I189 HydrophobicContact CD1-CG2 4.2Å; Y60-F193 VanDerWaalsContact CB-CD2 3.43Å; Y60-F193 HydrophobicContact CD1-CB 3.53Å; Y60-F193 AromaticContact CD1-CD2 3.35Å; Y60-F193 HydrophobicContact CD1-CD2 3.35Å; Y60-F193 HydrophobicContact CD1-CE2 4.33Å; Y60-F193 AromaticContact CD1-CG 3.64Å; Y60-F193 HydrophobicContact CD1-CG 3.64Å; Y60-F193 AromaticContact CD2-CD2 3.49Å; Y60-F193 HydrophobicContact CD2-CD2 3.49Å; Y60-F193 VanDerWaalsContact CD2-CD2 3.49Å; Y60-F193 AromaticContact CD2-CE2 3.73Å; Y60-F193 HydrophobicContact CD2-CE2 3.73Å; Y60-F193 HydrophobicContact CD2-CG 4.5Å; Y60-F193 HydrophobicContact CE1-CB 3.88Å; Y60-F193 AromaticContact CE1-CD2 3.79Å; Y60-F193 HydrophobicContact CE1-CD2 3.79Å; Y60-F193 HydrophobicContact CE1-CG 4.24Å; Y60-F193 AromaticContact CE2-CD2 3.95Å; Y60-F193 HydrophobicContact CE2-CD2 3.95Å; Y60-F193 HydrophobicContact CE2-CE2 4.37Å; Y60-F193 HydrophobicContact CG-CB 4.17Å; Y60-F193 AromaticContact CG-CD2 3.13Å; Y60-F193 HydrophobicContact CG-CD2 3.13Å; Y60-F193 AromaticContact CG-CE2 3.67Å; Y60-F193 HydrophobicContact CG-CE2 3.67Å; Y60-F193 AromaticContact CG-CG 3.74Å; Y60-F193 HydrophobicContact CG-CG 3.74Å; Y60-G411 PolarHBondContact OH-O 3.3Å; Y60-G411 VanDerWaalsContact OH-O 3.11Å; Y60-H414 AromaticContact CE1-ND1 3.93Å; Y60-H414 PolarHBondContact OH-ND1 3.08Å; Y60-W415 AromaticContact CD2-CD1 3.79Å; Y60-W415 HydrophobicContact CD2-CG 4.47Å; Y60-W415 HydrophobicContact CE2-CB 3.79Å; Y60-W415 AromaticContact CE2-CD1 3.73Å; Y60-W415 HydrophobicContact CE2-CG 4.03Å
61	I	92.4	Very high	91.4	Very high	60 Å²	60	58.1 Å²	58.1	31%	0.308	31%	0.307	S	S	.	.	H	α-helix	trans	-62.7	-45.7	174	-73.1	-177.9	0	0	0	110.9	F57 S58 T63 M64 L65	F57-I61 HydrophobicContact CD1-CD1 3.62Å; F57-I61 HydrophobicContact CD1-CG1 4.42Å; F57-I61 HydrophobicContact CE1-CD1 3.09Å; F57-I61 HydrophobicContact CE1-CG1 4.22Å; F57-I61 HydrophobicContact CE2-CD1 4.34Å; F57-I61 HydrophobicContact CG-CD1 4.45Å; F57-I61 HydrophobicContact CZ-CD1 3.49Å; F57-I61 VanDerWaalsContact CZ-CD1 3.49Å; F57-I61 HydrophobicContact CZ-CG1 4.47Å; F57-I61 WeakPolarHBondContact O-CG1 3.35Å; F57-I61 PolarHBondContact O-N 3.38Å; S58-I61 PolarHBondContact O-N 3.4Å; I61-T63 VanDerWaalsContact C-N 3.32Å; I61-T63 PolarHBondContact O-N 3.03Å; I61-M64 WeakPolarHBondContact O-CB 3.37Å; I61-M64 PolarHBondContact O-N 2.98Å; I61-L65 HydrophobicContact CG2-CD1 3.83Å; I61-L65 HydrophobicContact CG2-CG 4.27Å; I61-L65 WeakPolarHBondContact O-CG 3.28Å; I61-L65 PolarHBondContact O-N 2.84Å
62	I	94.3	Very high	92	Very high	105 Å²	105	53.7 Å²	53.7	54%	0.538	29%	0.292	S	S	.	.	H	α-helix	trans	-61.6	-43.4	177.9	-68.6	165	0	0	0	110.3	S58 V59 M64 L65 S66	S58-I62 WeakPolarHBondContact O-CB 3.26Å; S58-I62 WeakPolarHBondContact O-CD1 3.45Å; S58-I62 VanDerWaalsContact O-CG1 3.24Å; S58-I62 WeakPolarHBondContact O-CG1 3.32Å; S58-I62 PolarHBondContact O-N 2.8Å; V59-I62 PolarHBondContact O-N 3.47Å; I62-M64 PolarHBondContact O-N 3.01Å; I62-L65 PolarHBondContact O-N 2.82Å; I62-S66 WeakPolarHBondContact O-CB 3.47Å; I62-S66 PolarHBondContact O-N 2.8Å; I62-S66 PolarHBondContact O-OG 2.94Å
63	T	94.4	Very high	92.5	Very high	4 Å²	4	52.1 Å²	52.1	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-57.3	-48.1	174.1	-70.1	0	0	0	0	111.3	V59 Y60 I61 S67 I189 W415 M418 F422	V59-T63 WeakPolarHBondContact O-CB 3.34Å; V59-T63 PolarHBondContact O-N 3.18Å; V59-T63 PolarHBondContact O-OG1 3.5Å; V59-T63 VanDerWaalsContact O-OG1 3.06Å; Y60-T63 WeakPolarHBondContact O-CB 3.15Å; Y60-T63 PolarHBondContact O-N 3.01Å; I61-T63 VanDerWaalsContact C-N 3.32Å; I61-T63 PolarHBondContact O-N 3.03Å; T63-S67 WeakPolarHBondContact O-CB 3.43Å; T63-S67 PolarHBondContact O-N 3Å; T63-I189 HydrophobicContact CG2-CD1 3.92Å; T63-W415 PolarHBondContact OG1-NE1 3.14Å; T63-M418 HydrophobicContact CG2-CB 4.41Å; T63-F422 HydrophobicContact CG2-CD1 3.82Å; T63-F422 HydrophobicContact CG2-CE1 3.91Å
64	M	94.4	Very high	93.1	Very high	55 Å²	55	50.2 Å²	50.2	27%	0.271	27%	0.269	S	S	.	.	H	α-helix	trans	-60.6	-51.7	179.3	-174.7	-167.7	70.7	0	0	111.7	Y60 I61 I62 S67 F68 G185 I189 P190	Y60-M64 WeakPolarHBondContact O-CB 3.38Å; Y60-M64 PolarHBondContact O-N 3.43Å; I61-M64 WeakPolarHBondContact O-CB 3.37Å; I61-M64 PolarHBondContact O-N 2.98Å; I62-M64 PolarHBondContact O-N 3.01Å; M64-S67 PolarHBondContact O-N 2.88Å; M64-F68 WeakPolarHBondContact O-CB 3.2Å; M64-F68 PolarHBondContact O-N 2.89Å; M64-G185 WeakPolarHBondContact CG-O 3.25Å; M64-I189 HydrophobicContact CB-CG2 3.93Å; M64-I189 HydrophobicContact CG-CG2 4.37Å; M64-P190 HydrophobicContact SD-CB 4.19Å; M64-P190 HydrophobicContact SD-CG 4.44Å
65	L	94.9	Very high	93.4	Very high	82 Å²	82	46.5 Å²	46.5	43%	0.429	25%	0.25	S	S	.	.	H	α-helix	trans	-64.4	-43.5	-179.3	-68.7	176.2	0	0	0	111.8	I61 I62 S67 F68 I69	I61-L65 HydrophobicContact CG2-CD1 3.83Å; I61-L65 HydrophobicContact CG2-CG 4.27Å; I61-L65 WeakPolarHBondContact O-CG 3.28Å; I61-L65 PolarHBondContact O-N 2.84Å; I62-L65 PolarHBondContact O-N 2.82Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 3.13Å; L65-F68 PolarHBondContact O-N 2.94Å; L65-I69 HydrophobicContact CB-CD1 4.47Å; L65-I69 VanDerWaalsContact O-CB 3.3Å; L65-I69 WeakPolarHBondContact O-CB 2.96Å; L65-I69 VanDerWaalsContact O-CG1 3.23Å; L65-I69 WeakPolarHBondContact O-CG1 3.35Å; L65-I69 PolarHBondContact O-N 3.2Å
66	S	95.6	Very high	93.6	Very high	47 Å²	47	45.8 Å²	45.8	33%	0.329	25%	0.252	S	S	.	.	H	α-helix	trans	-63.5	-40.6	178.7	-59.4	0	0	0	0	111.5	I62 G70	I62-S66 WeakPolarHBondContact O-CB 3.47Å; I62-S66 PolarHBondContact O-N 2.8Å; I62-S66 PolarHBondContact O-OG 2.94Å; S66-G70 WeakPolarHBondContact O-CA 3.45Å; S66-G70 PolarHBondContact O-N 3.33Å
67	S	95.8	Very high	93.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-49.9	176.6	-176.6	0	0	0	0	111.3	T63 M64 L65 N71 D181 S421	T63-S67 WeakPolarHBondContact O-CB 3.43Å; T63-S67 PolarHBondContact O-N 3Å; M64-S67 PolarHBondContact O-N 2.88Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 3.13Å; S67-N71 VanDerWaalsContact O-CB 3.3Å; S67-N71 WeakPolarHBondContact O-CB 3.47Å; S67-N71 PolarHBondContact O-N 3.26Å; S67-N71 PolarHBondContact O-ND2 2.9Å; S67-D181 PolarHBondContact OG-O 2.97Å; S67-S421 VanDerWaalsContact CB-OG 3.31Å; S67-S421 WeakPolarHBondContact CB-OG 3.28Å; S67-S421 WeakPolarHBondContact OG-CB 3.43Å; S67-S421 PolarHBondContact OG-OG 3.27Å
68	F	95.1	Very high	93.8	Very high	90 Å²	90	40.2 Å²	40.2	40%	0.395	22%	0.224	S	C	.	.	H	α-helix	trans	-61.6	-54.1	-179.7	178.4	-100.4	0	0	0	112.1	M64 L65 T72 L182 L186	M64-F68 WeakPolarHBondContact O-CB 3.2Å; M64-F68 PolarHBondContact O-N 2.89Å; L65-F68 PolarHBondContact O-N 2.94Å; F68-T72 VanDerWaalsContact O-CB 3.25Å; F68-T72 WeakPolarHBondContact O-CB 3.42Å; F68-T72 PolarHBondContact O-N 3.03Å; F68-T72 PolarHBondContact O-OG1 3.02Å; F68-L182 HydrophobicContact CD2-CD1 3.56Å; F68-L182 HydrophobicContact CE2-CD1 3.96Å; F68-L182 HydrophobicContact CG-CD1 4.32Å; F68-L186 HydrophobicContact CE2-CD1 4.43Å
69	I	95.1	Very high	93.6	Very high	90 Å²	90	41.9 Å²	41.9	46%	0.462	23%	0.229	S	C	.	.	H	α-helix	trans	-66.4	-48.7	-176.8	-63.5	168.9	0	0	0	110.1	L65 N71 T72 I73	L65-I69 HydrophobicContact CB-CD1 4.47Å; L65-I69 VanDerWaalsContact O-CB 3.3Å; L65-I69 WeakPolarHBondContact O-CB 2.96Å; L65-I69 VanDerWaalsContact O-CG1 3.23Å; L65-I69 WeakPolarHBondContact O-CG1 3.35Å; L65-I69 PolarHBondContact O-N 3.2Å; I69-N71 PolarHBondContact O-N 3.37Å; I69-T72 PolarHBondContact O-N 2.79Å; I69-I73 HydrophobicContact CG2-CD1 3.75Å; I69-I73 HydrophobicContact CG2-CG1 4.5Å; I69-I73 VanDerWaalsContact O-CG1 3.31Å; I69-I73 WeakPolarHBondContact O-CG1 3.43Å; I69-I73 PolarHBondContact O-N 3.36Å
70	G	95.8	Very high	93.1	Very high	15 Å²	15	45.4 Å²	45.4	16%	0.155	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-47.8	-176.1	0	0	0	0	0	112.4	S66 I73 A74	S66-G70 WeakPolarHBondContact O-CA 3.45Å; S66-G70 PolarHBondContact O-N 3.33Å; G70-I73 PolarHBondContact O-N 3.14Å; G70-A74 WeakPolarHBondContact O-CB 3.31Å; G70-A74 PolarHBondContact O-N 3.36Å
71	N	96.7	Very high	91.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-71.9	-35.3	-179.8	-71.6	-59.4	0	0	0	112.4	S67 I69 I73 A74 I75 D181 L182 S421 P425	S67-N71 VanDerWaalsContact O-CB 3.3Å; S67-N71 WeakPolarHBondContact O-CB 3.47Å; S67-N71 PolarHBondContact O-N 3.26Å; S67-N71 PolarHBondContact O-ND2 2.9Å; I69-N71 PolarHBondContact O-N 3.37Å; N71-I73 PolarHBondContact O-N 3.07Å; N71-A74 PolarHBondContact O-N 3.48Å; N71-I75 WeakPolarHBondContact O-CB 2.99Å; N71-I75 WeakPolarHBondContact O-CD1 3.47Å; N71-I75 WeakPolarHBondContact O-CG1 3.43Å; N71-I75 PolarHBondContact O-N 3.07Å; N71-D181 WeakPolarHBondContact ND2-CB 3.17Å; N71-L182 HydrophobicContact CB-CB 4.1Å; N71-S421 PolarHBondContact ND2-O 3.43Å; N71-P425 WeakPolarHBondContact OD1-CG 3.48Å
72	T	95.5	Very high	90	Very high	49 Å²	49	50.3 Å²	50.3	30%	0.301	25%	0.254	S	S	.	.	H	α-helix	trans	-57.6	-50.4	172.8	-61.8	0	0	0	0	111	F68 I69 A74 I75 C76 L182	F68-T72 VanDerWaalsContact O-CB 3.25Å; F68-T72 WeakPolarHBondContact O-CB 3.42Å; F68-T72 PolarHBondContact O-N 3.03Å; F68-T72 PolarHBondContact O-OG1 3.02Å; I69-T72 PolarHBondContact O-N 2.79Å; T72-A74 VanDerWaalsContact C-N 3.31Å; T72-A74 PolarHBondContact O-N 3.27Å; T72-I75 PolarHBondContact O-N 2.94Å; T72-C76 WeakPolarHBondContact O-CB 3.34Å; T72-C76 PolarHBondContact O-N 3.46Å; T72-C76 PolarHBondContact O-SG 3.21Å; T72-L182 WeakPolarHBondContact OG1-CD1 3.49Å
73	I	94	Very high	87.9	Confident	48 Å²	48	53.3 Å²	53.3	25%	0.246	26%	0.262	C	S	.	.	H	α-helix	trans	-60.9	-43.1	177.5	-67.6	171.5	0	0	0	110.6	I69 G70 N71 C76 I77 F439	I69-I73 HydrophobicContact CG2-CD1 3.75Å; I69-I73 HydrophobicContact CG2-CG1 4.5Å; I69-I73 VanDerWaalsContact O-CG1 3.31Å; I69-I73 WeakPolarHBondContact O-CG1 3.43Å; I69-I73 PolarHBondContact O-N 3.36Å; G70-I73 PolarHBondContact O-N 3.14Å; N71-I73 PolarHBondContact O-N 3.07Å; I73-C76 PolarHBondContact O-N 3.13Å; I73-I77 HydrophobicContact CG2-CD1 3.79Å; I73-I77 HydrophobicContact CG2-CG1 4.46Å; I73-I77 WeakPolarHBondContact O-CG1 3.43Å; I73-I77 PolarHBondContact O-N 3.42Å; I73-F439 HydrophobicContact CD1-CE2 4.14Å; I73-F439 HydrophobicContact CG2-CD2 3.76Å; I73-F439 HydrophobicContact CG2-CE2 4Å
74	A	94	Very high	85.7	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-47.8	-179.3	0	0	0	0	0	112.5	G70 N71 T72 C76 I77 F78 Y428 F435	G70-A74 WeakPolarHBondContact O-CB 3.31Å; G70-A74 PolarHBondContact O-N 3.36Å; N71-A74 PolarHBondContact O-N 3.48Å; T72-A74 VanDerWaalsContact C-N 3.31Å; T72-A74 PolarHBondContact O-N 3.27Å; A74-C76 VanDerWaalsContact C-N 3.33Å; A74-C76 PolarHBondContact O-N 3.49Å; A74-I77 PolarHBondContact O-N 3.42Å; A74-F78 HydrophobicContact CB-CD2 4.31Å; A74-F78 HydrophobicContact CB-CE2 3.93Å; A74-F78 WeakPolarHBondContact O-CD2 3.41Å; A74-F78 WeakPolarHBondContact O-CG 3.44Å; A74-F78 PolarHBondContact O-N 3.24Å; A74-Y428 HydrophobicContact CB-CD2 4.4Å; A74-F435 HydrophobicContact CB-CE2 3.79Å; A74-F435 HydrophobicContact CB-CZ 3.98Å
75	I	94.1	Very high	83.2	Confident	21 Å²	21	59.9 Å²	59.9	11%	0.108	29%	0.289	C	S	.	.	H	α-helix	trans	-57.2	-48.3	174.9	-66.4	161.8	0	0	0	109.9	N71 T72 I77 F78 L79 I179 L182	N71-I75 WeakPolarHBondContact O-CB 2.99Å; N71-I75 WeakPolarHBondContact O-CD1 3.47Å; N71-I75 WeakPolarHBondContact O-CG1 3.43Å; N71-I75 PolarHBondContact O-N 3.07Å; T72-I75 PolarHBondContact O-N 2.94Å; I75-I77 VanDerWaalsContact C-N 3.33Å; I75-I77 PolarHBondContact O-N 3.37Å; I75-F78 PolarHBondContact O-N 2.96Å; I75-L79 HydrophobicContact CG2-CD1 3.6Å; I75-L79 HydrophobicContact CG2-CG 4.17Å; I75-L79 WeakPolarHBondContact O-CB 3.48Å; I75-L79 VanDerWaalsContact O-CG 3.28Å; I75-L79 WeakPolarHBondContact O-CG 3.31Å; I75-L79 PolarHBondContact O-N 3.42Å; I75-I179 HydrophobicContact CD1-CG1 3.91Å; I75-I179 HydrophobicContact CG1-CG1 4.33Å; I75-L182 HydrophobicContact CD1-CB 4.25Å; I75-L182 HydrophobicContact CD1-CD2 3.85Å
76	C	92.3	Very high	80.2	Confident	71 Å²	71	58.3 Å²	58.3	48%	0.48	29%	0.293	S	S	.	.	H	α-helix	trans	-56.6	-45.2	177.7	-72	0	0	0	0	112.1	T72 I73 A74 R80	T72-C76 WeakPolarHBondContact O-CB 3.34Å; T72-C76 PolarHBondContact O-N 3.46Å; T72-C76 PolarHBondContact O-SG 3.21Å; I73-C76 PolarHBondContact O-N 3.13Å; A74-C76 VanDerWaalsContact C-N 3.33Å; A74-C76 PolarHBondContact O-N 3.49Å; C76-R80 WeakPolarHBondContact O-CB 2.98Å; C76-R80 PolarHBondContact O-N 2.82Å
77	I	90	Very high	77.2	Confident	2 Å²	2	62 Å²	62	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-64.8	-50.4	179	-71.3	170.1	0	0	0	111.1	I73 A74 I75 L79 R80 K81 F435 D438 F439 I442	I73-I77 HydrophobicContact CG2-CD1 3.79Å; I73-I77 HydrophobicContact CG2-CG1 4.46Å; I73-I77 WeakPolarHBondContact O-CG1 3.43Å; I73-I77 PolarHBondContact O-N 3.42Å; A74-I77 PolarHBondContact O-N 3.42Å; I75-I77 VanDerWaalsContact C-N 3.33Å; I75-I77 PolarHBondContact O-N 3.37Å; I77-L79 VanDerWaalsContact C-N 3.34Å; I77-L79 PolarHBondContact O-N 3.3Å; I77-R80 PolarHBondContact O-N 3.29Å; I77-K81 PolarHBondContact O-N 3.37Å; I77-F435 HydrophobicContact CB-CD2 4.42Å; I77-F435 HydrophobicContact CB-CE2 4.22Å; I77-F435 HydrophobicContact CD1-CD1 4.29Å; I77-F435 HydrophobicContact CD1-CD2 4.12Å; I77-F435 HydrophobicContact CD1-CE1 3.92Å; I77-F435 HydrophobicContact CD1-CE2 3.78Å; I77-F435 HydrophobicContact CD1-CG 4.38Å; I77-F435 HydrophobicContact CD1-CZ 3.66Å; I77-F435 HydrophobicContact CG2-CD2 3.96Å; I77-F435 HydrophobicContact CG2-CE2 4.27Å; I77-D438 HydrophobicContact CD1-CB 4.46Å; I77-D438 HydrophobicContact CG1-CB 4.28Å; I77-D438 HydrophobicContact CG2-CB 3.84Å; I77-F439 HydrophobicContact CD1-CB 4.06Å; I77-F439 HydrophobicContact CD1-CD2 4.46Å; I77-I442 HydrophobicContact CD1-CD1 3.98Å; I77-I442 HydrophobicContact CG1-CD1 3.51Å
78	F	89.8	Confident	74.1	Confident	6 Å²	6	69.2 Å²	69.2	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-64.6	-38.1	-176.3	-65.6	-48	0	0	0	112.3	A74 I75 N171 L174 A175 Y428 F435	A74-F78 HydrophobicContact CB-CD2 4.31Å; A74-F78 HydrophobicContact CB-CE2 3.93Å; A74-F78 WeakPolarHBondContact O-CD2 3.41Å; A74-F78 WeakPolarHBondContact O-CG 3.44Å; A74-F78 PolarHBondContact O-N 3.24Å; I75-F78 PolarHBondContact O-N 2.96Å; F78-N171 HydrophobicContact CB-CB 4.23Å; F78-L174 HydrophobicContact CD1-CB 4.19Å; F78-L174 HydrophobicContact CD1-CD1 3.93Å; F78-L174 HydrophobicContact CD2-CB 3.67Å; F78-L174 HydrophobicContact CE1-CB 4.15Å; F78-L174 HydrophobicContact CE1-CD1 3.41Å; F78-L174 VanDerWaalsContact CE1-CD1 3.41Å; F78-L174 HydrophobicContact CE1-CG 4.44Å; F78-L174 HydrophobicContact CE2-CB 3.62Å; F78-L174 HydrophobicContact CE2-CD1 4.22Å; F78-L174 HydrophobicContact CG-CB 3.99Å; F78-L174 HydrophobicContact CZ-CB 3.88Å; F78-L174 HydrophobicContact CZ-CD1 3.58Å; F78-L174 HydrophobicContact CZ-CG 4.32Å; F78-A175 HydrophobicContact CB-CB 4.26Å; F78-Y428 HydrophobicContact CE2-CD2 4.1Å; F78-Y428 AromaticContact CE2-CE2 3.91Å; F78-Y428 HydrophobicContact CE2-CE2 3.91Å; F78-Y428 HydrophobicContact CZ-CD1 4.16Å; F78-Y428 AromaticContact CZ-CD2 3.99Å; F78-Y428 HydrophobicContact CZ-CD2 3.99Å; F78-Y428 HydrophobicContact CZ-CE1 4.19Å; F78-Y428 HydrophobicContact CZ-CE2 4.07Å; F78-Y428 HydrophobicContact CZ-CG 4.08Å; F78-F435 AromaticContact CE1-CD2 3.94Å; F78-F435 HydrophobicContact CE1-CD2 3.94Å; F78-F435 HydrophobicContact CE1-CE2 4.44Å; F78-F435 HydrophobicContact CE2-CD2 4.45Å; F78-F435 HydrophobicContact CE2-CE2 4.19Å; F78-F435 AromaticContact CZ-CD2 3.73Å; F78-F435 HydrophobicContact CZ-CD2 3.73Å; F78-F435 AromaticContact CZ-CE2 3.9Å; F78-F435 HydrophobicContact CZ-CE2 3.9Å
79	L	87.5	Confident	70.9	Confident	85 Å²	85	68.3 Å²	68.3	45%	0.445	33%	0.334	S	S	.	.	H	α-helix	trans	-75.1	-36.8	175.5	-62.9	-178.4	0	0	0	112.4	I75 I77 R82 A175	I75-L79 HydrophobicContact CG2-CD1 3.6Å; I75-L79 HydrophobicContact CG2-CG 4.17Å; I75-L79 WeakPolarHBondContact O-CB 3.48Å; I75-L79 VanDerWaalsContact O-CG 3.28Å; I75-L79 WeakPolarHBondContact O-CG 3.31Å; I75-L79 PolarHBondContact O-N 3.42Å; I77-L79 VanDerWaalsContact C-N 3.34Å; I77-L79 PolarHBondContact O-N 3.3Å; L79-R82 PolarHBondContact O-N 2.98Å; L79-A175 HydrophobicContact CD2-CB 3.95Å; L79-A175 HydrophobicContact CG-CB 4.28Å
80	R	81.4	Confident	67.7	Low	116 Å²	116	74.8 Å²	74.8	44%	0.438	35%	0.352	S	S	.	.	H	α-helix	trans	-67.8	-36.7	179.9	-175.9	178.8	-175.2	-177.4	2.9	113.1	C76 I77 R82 K83	C76-R80 WeakPolarHBondContact O-CB 2.98Å; C76-R80 PolarHBondContact O-N 2.82Å; I77-R80 PolarHBondContact O-N 3.29Å; R80-R82 PolarHBondContact O-N 3.45Å; R80-K83 PolarHBondContact O-N 2.92Å
81	K	64	Low	64.6	Low	31 Å²	31	79.2 Å²	79.2	14%	0.135	38%	0.376	C	S	.	.	H	α-helix	trans	-49.3	-29.1	178.3	-86.7	-178.8	-174.4	173.5	0	113	I77 F85 S434 D438	I77-K81 PolarHBondContact O-N 3.37Å; K81-F85 WeakPolarHBondContact O-CD2 2.72Å; K81-S434 WeakPolarHBondContact CE-OG 3.4Å; K81-S434 PolarHBondContact NZ-OG 3.23Å; K81-D438 WeakPolarHBondContact CE-OD2 3.5Å; K81-D438 WeakPolarHBondContact CG-OD2 3.35Å; K81-D438 IonicContact NZ-OD2 3.5Å
82	R	55.8	Low	61.7	Low	139 Å²	139	84.4 Å²	84.4	53%	0.525	41%	0.408	S	S	.	.	H	α-helix	trans	-71.4	-37.6	176	-169.8	172.1	176.1	-132.1	-16.9	113.9	L79 R80 G86 Y172	L79-R82 PolarHBondContact O-N 2.98Å; R80-R82 PolarHBondContact O-N 3.45Å; R82-G86 PolarHBondContact O-N 3.02Å; R82-Y172 WeakPolarHBondContact CD-OH 3.48Å; R82-Y172 PolarHBondContact NE-OH 3.47Å; R82-Y172 PolarHBondContact NH1-OH 3.31Å
83	K	49.5	Very low	58.5	Low	167 Å²	167	89 Å²	89	73%	0.726	43%	0.428	S	S	*	.	H	α-helix	trans	-69.5	-42.9	-175.7	-73.6	-169.7	178.3	-177.7	0	112.3	R80 F85 G86	R80-K83 PolarHBondContact O-N 2.92Å; K83-F85 VanDerWaalsContact C-N 3.32Å; K83-F85 PolarHBondContact O-N 2.72Å; K83-G86 PolarHBondContact O-N 3.05Å
84	K	48.6	Very low	55.3	Low	97 Å²	97	95.9 Å²	95.9	42%	0.422	46%	0.456	S	S	.	.	H	α-helix	trans	-63.2	-35.4	-179.2	-79.8	-170.6	176.9	-176.1	0	113.1
85	F	40.9	Very low	52.2	Low	100 Å²	100	101.5 Å²	101.5	44%	0.439	49%	0.493	S	S	.	.	H	α-helix	trans	-85.4	-28.3	-177.9	-81.5	-89	0	0	0	114.2	K81 K83 I87 K88 Y89 F164	K81-F85 WeakPolarHBondContact O-CD2 2.72Å; K83-F85 VanDerWaalsContact C-N 3.32Å; K83-F85 PolarHBondContact O-N 2.72Å; F85-I87 VanDerWaalsContact C-N 3.27Å; F85-I87 PolarHBondContact O-N 3.27Å; F85-K88 PolarHBondContact O-N 3.38Å; F85-Y89 PolarHBondContact O-N 2.84Å; F85-Y89 VanDerWaalsContact O-N 3.11Å; F85-F164 HydrophobicContact CB-CD2 4.42Å; F85-F164 HydrophobicContact CB-CE2 3.28Å; F85-F164 HydrophobicContact CB-CZ 3.47Å; F85-F164 VanDerWaalsContact CB-CZ 3.47Å; F85-F164 AromaticContact CD1-CD2 3.92Å; F85-F164 HydrophobicContact CD1-CD2 3.92Å; F85-F164 AromaticContact CD1-CE2 3.54Å; F85-F164 HydrophobicContact CD1-CE2 3.54Å; F85-F164 HydrophobicContact CD1-CZ 4.36Å; F85-F164 AromaticContact CD2-CE2 3.92Å; F85-F164 HydrophobicContact CD2-CE2 3.92Å; F85-F164 HydrophobicContact CE1-CD2 4.3Å; F85-F164 HydrophobicContact CE1-CE2 4.3Å; F85-F164 HydrophobicContact CG-CD2 4.1Å; F85-F164 AromaticContact CG-CE2 3.31Å; F85-F164 HydrophobicContact CG-CE2 3.31Å; F85-F164 HydrophobicContact CG-CZ 4.05Å
86	G	31.9	Very low	49.1	Very low	49 Å²	49	109.8 Å²	109.8	51%	0.505	53%	0.528	S	S	.	.	H	α-helix	trans	-63.5	-31.5	175	0	0	0	0	0	113.6	R82 K83	R82-G86 PolarHBondContact O-N 3.02Å; K83-G86 PolarHBondContact O-N 3.05Å
87	I	32.5	Very low	46.3	Very low	126 Å²	126	112 Å²	112	65%	0.646	54%	0.54	S	S	*	.	H	α-helix	trans	-77.9	-38	178.3	-62	171.5	0	0	0	111.1	F85 T91	F85-I87 VanDerWaalsContact C-N 3.27Å; F85-I87 PolarHBondContact O-N 3.27Å; I87-T91 PolarHBondContact O-OG1 3.19Å
88	K	31.5	Very low	43.3	Very low	150 Å²	150	117.1 Å²	117.1	65%	0.652	58%	0.576	S	S	*	*	H	α-helix	trans	-74.3	-35	-177.6	-140.2	175.2	-173.9	-179.9	0	113	F85 R90 T91 T92	F85-K88 PolarHBondContact O-N 3.38Å; K88-R90 VanDerWaalsContact C-N 3.34Å; K88-R90 PolarHBondContact O-N 2.91Å; K88-T91 PolarHBondContact O-N 3.4Å; K88-T91 PolarHBondContact O-OG1 3.06Å; K88-T91 VanDerWaalsContact O-OG1 3.07Å; K88-T92 PolarHBondContact O-OG1 3.24Å
89	Y	28.6	Very low	40.4	Very low	72 Å²	72	123.1 Å²	123.1	28%	0.282	61%	0.613	S	S	.	*	H	α-helix	trans	-71.2	-27.5	177.8	-114.8	-86.4	0	0	0	113.6	F85 T91	F85-Y89 PolarHBondContact O-N 2.84Å; F85-Y89 VanDerWaalsContact O-N 3.11Å; Y89-T91 VanDerWaalsContact C-N 3.33Å
90	R	26.7	Very low	37.8	Very low	226 Å²	226	128.2 Å²	128.2	85%	0.853	63%	0.634	S	S	*	*	H	α-helix	trans	-77.5	-19.5	179.2	-144	179.5	-154.7	-171.3	4.3	112.9	K88	K88-R90 VanDerWaalsContact C-N 3.34Å; K88-R90 PolarHBondContact O-N 2.91Å
91	T	32.3	Very low	35.3	Very low	107 Å²	107	132.3 Å²	132.3	66%	0.656	66%	0.655	S	S	*	*	H	α-helix	trans	-95.2	-19.5	-177.5	30.7	0	0	0	0	113.7	I87 K88 Y89	I87-T91 PolarHBondContact O-OG1 3.19Å; K88-T91 PolarHBondContact O-N 3.4Å; K88-T91 PolarHBondContact O-OG1 3.06Å; K88-T91 VanDerWaalsContact O-OG1 3.07Å; Y89-T91 VanDerWaalsContact C-N 3.33Å
92	T	35.3	Very low	33.8	Very low	110 Å²	110	140.1 Å²	140.1	68%	0.675	69%	0.692	S	S	*	*	S	Bend	trans	-96.1	-3	179.7	36.5	0	0	0	0	115.9	K88	K88-T92 PolarHBondContact O-OG1 3.24Å
93	M	28.8	Very low	32.8	Very low	146 Å²	146	140.4 Å²	140.4	72%	0.719	71%	0.71	S	S	*	*			trans	-98.4	82.2	169.7	-78.9	-167.8	-176.4	0	0	110.2
94	K	26	Very low	31.9	Very low	192 Å²	192	138.3 Å²	138.3	84%	0.835	71%	0.706	S	S	*	*			trans	-96.5	135.5	151.2	-85	-175	175.4	-178	0	107.5	F96	K94-F96 PolarHBondContact O-N 3.45Å
95	P	29.5	Very low	31.3	Very low	119 Å²	119	139.2 Å²	139.2	77%	0.773	72%	0.722	S	S	*	*			trans	-66.2	130.3	-178.4	-4.8	19.6	0	0	0	109.3	T97	P95-T97 PolarHBondContact O-N 3.15Å; P95-T97 VanDerWaalsContact O-N 3.13Å
96	F	28	Very low	31.3	Very low	195 Å²	195	141.3 Å²	141.3	86%	0.855	73%	0.733	S	S	*	*			trans	-72.3	104.1	168	-145.3	-94.3	0	0	0	106.9	K94	K94-F96 PolarHBondContact O-N 3.45Å
97	T	32.7	Very low	31.6	Very low	117 Å²	117	143.3 Å²	143.3	72%	0.718	74%	0.739	S	S	*	*			trans	-64.5	137	171	41.4	0	0	0	0	109.4	P95 T99	P95-T97 PolarHBondContact O-N 3.15Å; P95-T97 VanDerWaalsContact O-N 3.13Å; T97-T99 PolarHBondContact O-N 2.87Å
98	S	28.3	Very low	31.8	Very low	109 Å²	109	145.2 Å²	145.2	76%	0.762	75%	0.745	S	S	*	*	S	Bend	trans	-54.4	110.1	-177.3	45.7	0	0	0	0	114.7
99	T	29.6	Very low	32.2	Very low	132 Å²	132	144 Å²	144	81%	0.81	75%	0.746	S	S	*	*			trans	178.5	93.3	150.3	37.9	0	0	0	0	110.9	T97	T97-T99 PolarHBondContact O-N 2.87Å
100	E	31.8	Very low	32.3	Very low	192 Å²	192	149.5 Å²	149.5	90%	0.897	77%	0.767	S	S	*	*			trans	-165.9	94.8	146.2	-124.9	173.6	167.2	0	0	109.8
101	K	28.6	Very low	32.7	Very low	202 Å²	202	145.9 Å²	145.9	88%	0.878	76%	0.764	S	S	*	*			trans	-94.1	116.4	162.5	-81.7	179.4	174.2	179	0	106.8
102	Q	33.3	Very low	32.8	Very low	195 Å²	195	148.3 Å²	148.3	91%	0.911	77%	0.768	S	S	*	*			trans	172.7	119.8	137.9	-101.1	172.8	-24.7	0	0	109.8
103	V	34.2	Very low	32.6	Very low	146 Å²	146	145.9 Å²	145.9	89%	0.885	76%	0.756	S	S	*	*			trans	-100.2	119.4	168.2	173	0	0	0	0	106.4
104	D	31.8	Very low	32.8	Very low	123 Å²	123	147.5 Å²	147.5	66%	0.658	76%	0.759	S	S	*	*			trans	-86.9	133.7	-177.6	-158.1	-0	0	0	0	110.6	H106	D104-H106 PolarHBondContact O-N 2.75Å; D104-H106 VanDerWaalsContact O-N 3.14Å
105	P	35.4	Very low	33.2	Very low	116 Å²	116	147.3 Å²	147.3	75%	0.753	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-74	3.6	-171.7	-15.6	31.1	0	0	0	116.2	S107	P105-S107 PolarHBondContact O-N 3.13Å
106	H	40.4	Very low	33.4	Very low	144 Å²	144	148.6 Å²	148.6	67%	0.667	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-86.9	8.8	-171	-111.1	-64.7	0	0	0	116.3	D104 E108	D104-H106 PolarHBondContact O-N 2.75Å; D104-H106 VanDerWaalsContact O-N 3.14Å; H106-E108 PolarHBondContact O-N 3.41Å
107	S	38.8	Very low	33.4	Very low	91 Å²	91	148.2 Å²	148.2	64%	0.636	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-81.3	-4.8	-170.6	68.7	0	0	0	0	116.5	P105	P105-S107 PolarHBondContact O-N 3.13Å
108	E	37.4	Very low	33.4	Very low	166 Å²	166	150.8 Å²	150.8	78%	0.776	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-80.4	-17.9	-178	-73.4	-172.6	150.4	0	0	114.7	H106	H106-E108 PolarHBondContact O-N 3.41Å
109	N	38.2	Very low	33.6	Very low	125 Å²	125	151 Å²	151	67%	0.668	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-84.5	-12.3	-177.7	-79.6	-19.8	0	0	0	115.3
110	Y	32.3	Very low	33.5	Very low	186 Å²	186	152.4 Å²	152.4	73%	0.729	75%	0.754	S	S	*	*	H	α-helix	trans	-82.9	-22.9	-179.1	-79.5	-85.9	0	0	0	113.6	Q112	Y110-Q112 VanDerWaalsContact C-N 3.33Å; Y110-Q112 PolarHBondContact O-N 2.87Å
111	L	33.2	Very low	33.4	Very low	150 Å²	150	146.9 Å²	146.9	79%	0.785	75%	0.749	S	S	*	*	H	α-helix	trans	-74.3	-23.7	-177.3	-138.9	79.6	0	0	0	112.9
112	Q	34.7	Very low	33.1	Very low	158 Å²	158	144.8 Å²	144.8	74%	0.738	75%	0.747	S	S	*	*	H	α-helix	trans	-79.3	-28.8	179.4	-138.8	87.2	-7.1	0	0	112.6	Y110	Y110-Q112 VanDerWaalsContact C-N 3.33Å; Y110-Q112 PolarHBondContact O-N 2.87Å
113	S	31.9	Very low	32.8	Very low	59 Å²	59	146.6 Å²	146.6	41%	0.413	75%	0.747	S	S	.	*	H	α-helix	trans	-82.2	-12.1	-176.4	92	0	0	0	0	114.6
114	F	32.2	Very low	32.5	Very low	180 Å²	180	144.5 Å²	144.5	79%	0.789	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-89.7	-7.9	-176.6	-122.2	-86.6	0	0	0	114.1	N116	F114-N116 VanDerWaalsContact C-N 3.34Å; F114-N116 PolarHBondContact O-N 2.83Å
115	K	35.2	Very low	32.2	Very low	189 Å²	189	144.1 Å²	144.1	82%	0.822	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-82.5	-7	-175.9	-134.1	175.9	-177.5	-178.9	0	114.3
116	N	33.5	Very low	31.8	Very low	146 Å²	146	144.3 Å²	144.3	78%	0.781	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-119.1	17.6	-167.6	-72	-6.3	0	0	0	115.6	F114	F114-N116 VanDerWaalsContact C-N 3.34Å; F114-N116 PolarHBondContact O-N 2.83Å
117	R	28.7	Very low	31.3	Very low	186 Å²	186	141.1 Å²	141.1	70%	0.702	75%	0.749	S	S	*	*			trans	-133.1	108.6	-175.3	-93.7	-174.8	-85.3	-157	-2.5	114
118	H	31.9	Very low	31.1	Very low	171 Å²	171	140.7 Å²	140.7	79%	0.792	75%	0.745	S	S	*	*			trans	71.7	115.8	157.4	-61.7	-78	0	0	0	117.4
119	V	32.1	Very low	31.2	Very low	114 Å²	114	135.7 Å²	135.7	69%	0.691	72%	0.724	S	S	*	*			cis	58.6	110.7	21.9	-171.5	0	0	0	0	114.6
120	D	26.9	Very low	30.9	Very low	161 Å²	161	138.4 Å²	138.4	86%	0.861	73%	0.726	S	S	*	*			trans	84.4	124.5	161.7	-55.4	-24	0	0	0	121.8
121	G	30	Very low	31.1	Very low	76 Å²	76	133.7 Å²	133.7	78%	0.784	71%	0.714	S	S	*	*			trans	162.5	82.2	165.1	0	0	0	0	0	116
122	N	22.6	Very low	31.3	Very low	159 Å²	159	129.4 Å²	129.4	85%	0.85	69%	0.689	S	S	*	*			trans	-66.8	128.7	163.4	-88.8	-25.7	0	0	0	111
123	Y	28.1	Very low	31.5	Very low	233 Å²	233	126.1 Å²	126.1	91%	0.914	68%	0.677	S	S	*	*			trans	-147.2	134.4	155.2	-93.4	-78.2	0	0	0	113.1
124	S	26.7	Very low	32	Very low	102 Å²	102	127.4 Å²	127.4	71%	0.713	68%	0.679	S	S	*	*			trans	-75.9	150.6	-172.5	46.4	0	0	0	0	115.6
125	S	26.3	Very low	32.5	Very low	115 Å²	115	123 Å²	123	80%	0.804	66%	0.664	S	S	*	*	S	Bend	trans	34.3	128.8	137.6	174.7	0	0	0	0	120.8
126	S	26.6	Very low	32.9	Very low	119 Å²	119	117.3 Å²	117.3	83%	0.832	64%	0.642	S	S	*	*			trans	85.1	77.3	163.2	-176	0	0	0	0	117.2
127	A	30.1	Very low	33.8	Very low	78 Å²	78	116.8 Å²	116.8	65%	0.645	63%	0.633	S	S	*	*			trans	-127.2	127.5	166.6	0	0	0	0	0	111	D131	A127-D131 HydrophobicContact CB-CB 3.98Å
128	S	34.1	Very low	35.1	Very low	81 Å²	81	114.3 Å²	114.3	57%	0.566	63%	0.627	S	S	*	*			trans	-65.1	161.5	-172.1	72.3	0	0	0	0	113.4	Y130 D131	S128-Y130 PolarHBondContact O-N 3.33Å; S128-D131 PolarHBondContact O-N 3.2Å
129	D	39.4	Very low	36.2	Very low	61 Å²	61	108.5 Å²	108.5	33%	0.326	60%	0.602	S	S	.	*	H	α-helix	trans	-50.3	-18.2	-179.9	-95.1	-32.4	0	0	0	114.7	R436 K440	D129-R436 IonicContact OD1-NH2 3.97Å; D129-R436 PolarHBondContact OD1-NH2 3.48Å; D129-R436 IonicContact OD2-CZ 3.92Å; D129-R436 IonicContact OD2-NH2 3.83Å; D129-R436 PolarHBondContact OD2-NH2 3.03Å; D129-K440 IonicContact OD2-NZ 2.81Å; D129-K440 PolarHBondContact OD2-NZ 3.42Å
130	Y	31.9	Very low	37.4	Very low	183 Å²	183	105.1 Å²	105.1	72%	0.718	58%	0.579	S	S	*	*	H	α-helix	trans	-76.2	-41	177	-139.4	-95.8	0	0	0	112.2	S128 H132 N133 N134	S128-Y130 PolarHBondContact O-N 3.33Å; Y130-H132 PolarHBondContact O-N 2.85Å; Y130-N133 PolarHBondContact O-N 3.39Å; Y130-N134 PolarHBondContact O-N 2.83Å
131	D	36.9	Very low	39.1	Very low	87 Å²	87	99.8 Å²	99.8	47%	0.465	55%	0.551	S	S	.	*	H	α-helix	trans	-64	-31.7	174.8	-85.9	-36.1	0	0	0	111.4	A127 S128 N133 N134 L135	A127-D131 HydrophobicContact CB-CB 3.98Å; S128-D131 PolarHBondContact O-N 3.2Å; D131-N133 PolarHBondContact O-N 3.4Å; D131-N134 PolarHBondContact O-N 2.71Å; D131-L135 WeakPolarHBondContact O-CB 2.99Å; D131-L135 PolarHBondContact O-N 2.89Å
132	H	38.4	Very low	40.7	Very low	59 Å²	59	99.3 Å²	99.3	27%	0.273	53%	0.53	S	S	.	.	H	α-helix	trans	-69.7	-35.3	-178.4	-160.1	40.8	0	0	0	113.5	Y130 L136 R433	Y130-H132 PolarHBondContact O-N 2.85Å; H132-L136 WeakPolarHBondContact O-CB 3.26Å; H132-L136 PolarHBondContact O-N 3.43Å; H132-R433 PolarHBondContact CD2-NH2 3.09Å; H132-R433 PolarHBondContact NE2-NH1 2.97Å; H132-R433 PolarHBondContact NE2-NH2 3.36Å
133	N	37.4	Very low	42.4	Very low	89 Å²	89	93 Å²	93	48%	0.476	50%	0.499	S	S	.	.	H	α-helix	trans	-73.4	-36.8	174.4	-75.8	-45.3	0	0	0	111.9	Y130 D131 L136 K137	Y130-N133 PolarHBondContact O-N 3.39Å; D131-N133 PolarHBondContact O-N 3.4Å; N133-L136 PolarHBondContact O-N 3.49Å; N133-K137 WeakPolarHBondContact O-CB 3.37Å; N133-K137 PolarHBondContact O-N 3.37Å
134	N	42.8	Very low	44.1	Very low	87 Å²	87	82.1 Å²	82.1	47%	0.465	46%	0.457	S	S	.	.	H	α-helix	trans	-66.4	-38.5	172.2	-81.3	-20.9	0	0	0	111.6	Y130 D131 K137 K138	Y130-N134 PolarHBondContact O-N 2.83Å; D131-N134 PolarHBondContact O-N 2.71Å; N134-K137 PolarHBondContact O-N 3.38Å; N134-K138 WeakPolarHBondContact O-CB 3.18Å; N134-K138 PolarHBondContact O-N 3.49Å
135	L	43	Very low	46	Very low	88 Å²	88	83.8 Å²	83.8	46%	0.461	45%	0.453	S	S	.	.	H	α-helix	trans	-66.5	-38.9	173.9	-161.4	80.9	0	0	0	111.2	D131 K138 N139	D131-L135 WeakPolarHBondContact O-CB 2.99Å; D131-L135 PolarHBondContact O-N 2.89Å; L135-K138 PolarHBondContact O-N 3.26Å; L135-N139 VanDerWaalsContact O-CB 3.22Å; L135-N139 WeakPolarHBondContact O-CB 3.37Å; L135-N139 PolarHBondContact O-N 3.11Å; L135-N139 PolarHBondContact O-ND2 2.91Å
136	L	44.5	Very low	47.9	Very low	69 Å²	69	86 Å²	86	36%	0.361	45%	0.448	S	S	.	.	H	α-helix	trans	-63.2	-43.6	173.2	-115.3	137.4	0	0	0	111.7	H132 N133 L140	H132-L136 WeakPolarHBondContact O-CB 3.26Å; H132-L136 PolarHBondContact O-N 3.43Å; N133-L136 PolarHBondContact O-N 3.49Å; L136-L140 WeakPolarHBondContact O-CB 3.42Å; L136-L140 PolarHBondContact O-N 3.4Å
137	K	51.8	Low	49.7	Very low	135 Å²	135	81 Å²	81	59%	0.587	41%	0.414	S	S	*	.	H	α-helix	trans	-64.5	-47.8	175.1	-171.6	-179.4	176.1	-167.1	0	110.8	N133 N134 N139 L140 D141	N133-K137 WeakPolarHBondContact O-CB 3.37Å; N133-K137 PolarHBondContact O-N 3.37Å; N134-K137 PolarHBondContact O-N 3.38Å; K137-N139 PolarHBondContact O-N 3.33Å; K137-L140 PolarHBondContact O-N 3.33Å; K137-D141 WeakPolarHBondContact O-CB 3.06Å; K137-D141 PolarHBondContact O-N 2.98Å
138	K	56.5	Low	51.7	Low	134 Å²	134	80.8 Å²	80.8	58%	0.583	41%	0.406	S	S	*	.	H	α-helix	trans	-61.3	-44.3	178.3	-168.3	174.4	-176.3	177.5	0	112.1	N134 L135 D141 N142	N134-K138 WeakPolarHBondContact O-CB 3.18Å; N134-K138 PolarHBondContact O-N 3.49Å; L135-K138 PolarHBondContact O-N 3.26Å; K138-D141 PolarHBondContact O-N 3.48Å; K138-N142 WeakPolarHBondContact O-CB 3.41Å; K138-N142 PolarHBondContact O-N 3.19Å; K138-N142 PolarHBondContact O-ND2 2.97Å; K138-N142 PolarHBondContact O-OD1 3.25Å
139	N	54	Low	53.3	Low	48 Å²	48	86.3 Å²	86.3	26%	0.257	42%	0.42	S	S	.	.	H	α-helix	trans	-71.3	-35.1	178.4	-71.3	-19.4	0	0	0	112.5	L135 K137 S143 M359	L135-N139 VanDerWaalsContact O-CB 3.22Å; L135-N139 WeakPolarHBondContact O-CB 3.37Å; L135-N139 PolarHBondContact O-N 3.11Å; L135-N139 PolarHBondContact O-ND2 2.91Å; K137-N139 PolarHBondContact O-N 3.33Å; N139-S143 WeakPolarHBondContact O-CB 3.47Å; N139-S143 PolarHBondContact O-N 3.46Å; N139-S143 VanDerWaalsContact O-N 3.14Å; N139-S143 PolarHBondContact O-OG 3.28Å; N139-M359 HydrophobicContact CB-CE 3.31Å; N139-M359 HydrophobicContact CB-SD 3.92Å; N139-M359 PolarHBondContact ND2-SD 2.99Å; N139-M359 VanDerWaalsContact ND2-SD 3.42Å
140	L	57.7	Low	54.9	Low	43 Å²	43	90 Å²	90	23%	0.225	44%	0.435	C	S	.	.	H	α-helix	trans	-64.5	-49.7	172.1	179.9	61.1	0	0	0	109.8	L136 K137 N142 S143 I144	L136-L140 WeakPolarHBondContact O-CB 3.42Å; L136-L140 PolarHBondContact O-N 3.4Å; K137-L140 PolarHBondContact O-N 3.33Å; L140-N142 PolarHBondContact O-N 2.85Å; L140-S143 PolarHBondContact O-N 3.32Å; L140-S143 VanDerWaalsContact O-N 3.16Å; L140-I144 HydrophobicContact CD1-CD1 3.7Å; L140-I144 HydrophobicContact CD1-CG1 4.21Å; L140-I144 HydrophobicContact CD2-CD1 4.38Å; L140-I144 HydrophobicContact CG-CD1 3.53Å; L140-I144 HydrophobicContact CG-CG1 4.47Å; L140-I144 WeakPolarHBondContact O-CB 3.17Å; L140-I144 WeakPolarHBondContact O-CD1 3.31Å; L140-I144 WeakPolarHBondContact O-CG1 3.18Å; L140-I144 PolarHBondContact O-N 3.38Å
141	D	62	Low	56.5	Low	50 Å²	50	84 Å²	84	27%	0.267	42%	0.415	S	S	.	.	H	α-helix	trans	-60.4	-44.8	178.5	-74.9	-33.1	0	0	0	111.5	K137 K138 S143 I144 E145 R156	K137-D141 WeakPolarHBondContact O-CB 3.06Å; K137-D141 PolarHBondContact O-N 2.98Å; K138-D141 PolarHBondContact O-N 3.48Å; D141-S143 VanDerWaalsContact C-N 3.28Å; D141-S143 PolarHBondContact O-N 3Å; D141-I144 PolarHBondContact O-N 2.85Å; D141-E145 VanDerWaalsContact O-CB 3.24Å; D141-E145 WeakPolarHBondContact O-CB 3.38Å; D141-E145 PolarHBondContact O-N 3.49Å; D141-R156 IonicContact OD1-CZ 2.71Å; D141-R156 IonicContact OD1-NE 3.13Å; D141-R156 IonicContact OD1-NH2 2.66Å; D141-R156 PolarHBondContact OD1-NH2 2.94Å
142	N	63.6	Low	57.8	Low	65 Å²	65	82 Å²	82	35%	0.348	40%	0.403	S	S	.	.	H	α-helix	trans	-59.6	-36.2	175	-73.5	-5.8	0	0	0	113.2	K138 L140 K146	K138-N142 WeakPolarHBondContact O-CB 3.41Å; K138-N142 PolarHBondContact O-N 3.19Å; K138-N142 PolarHBondContact O-ND2 2.97Å; K138-N142 PolarHBondContact O-OD1 3.25Å; L140-N142 PolarHBondContact O-N 2.85Å; N142-K146 WeakPolarHBondContact O-CG 3.37Å; N142-K146 PolarHBondContact O-N 3.45Å; N142-K146 VanDerWaalsContact O-N 3.17Å
143	S	59.5	Low	58.8	Low	28 Å²	28	85.6 Å²	85.6	20%	0.196	42%	0.419	C	S	.	.	H	α-helix	trans	-84.9	-28.7	-176.3	-54.9	0	0	0	0	112.3	N139 L140 D141 V356	N139-S143 WeakPolarHBondContact O-CB 3.47Å; N139-S143 PolarHBondContact O-N 3.46Å; N139-S143 VanDerWaalsContact O-N 3.14Å; N139-S143 PolarHBondContact O-OG 3.28Å; L140-S143 PolarHBondContact O-N 3.32Å; L140-S143 VanDerWaalsContact O-N 3.16Å; D141-S143 VanDerWaalsContact C-N 3.28Å; D141-S143 PolarHBondContact O-N 3Å; S143-V356 WeakPolarHBondContact OG-CG2 3.4Å
144	I	62.8	Low	59.9	Low	4 Å²	4	85.6 Å²	85.6	2%	0.021	42%	0.418	C	S	.	.	H	α-helix	trans	-65	-50.1	165.7	-69.4	156.1	0	0	0	107.8	L140 D141 K146 A147 H152 R156	L140-I144 HydrophobicContact CD1-CD1 3.7Å; L140-I144 HydrophobicContact CD1-CG1 4.21Å; L140-I144 HydrophobicContact CD2-CD1 4.38Å; L140-I144 HydrophobicContact CG-CD1 3.53Å; L140-I144 HydrophobicContact CG-CG1 4.47Å; L140-I144 WeakPolarHBondContact O-CB 3.17Å; L140-I144 WeakPolarHBondContact O-CD1 3.31Å; L140-I144 WeakPolarHBondContact O-CG1 3.18Å; L140-I144 PolarHBondContact O-N 3.38Å; D141-I144 PolarHBondContact O-N 2.85Å; I144-K146 PolarHBondContact O-N 3.13Å; I144-K146 VanDerWaalsContact O-N 3.13Å; I144-A147 WeakPolarHBondContact O-CA 3.32Å; I144-A147 WeakPolarHBondContact O-CB 3.3Å; I144-A147 PolarHBondContact O-N 3.18Å; I144-H152 HydrophobicContact CG2-CB 4.08Å; I144-H152 WeakPolarHBondContact CG2-CE1 3.18Å; I144-H152 WeakPolarHBondContact CG2-ND1 3.41Å; I144-H152 PolarHBondContact O-CD2 2.94Å; I144-H152 PolarHBondContact O-NE2 3.48Å; I144-R156 HydrophobicContact CD1-CB 4.48Å; I144-R156 HydrophobicContact CD1-CG 3.2Å; I144-R156 HydrophobicContact CG1-CG 3.92Å; I144-R156 HydrophobicContact CG2-CG 4.27Å
145	E	65.7	Low	60.6	Low	137 Å²	137	84.5 Å²	84.5	64%	0.64	41%	0.411	S	S	*	.	H	α-helix	trans	-51.7	-36.1	177.8	-164.8	168.8	-164.8	0	0	113.9	D141 A147 H152	D141-E145 VanDerWaalsContact O-CB 3.24Å; D141-E145 WeakPolarHBondContact O-CB 3.38Å; D141-E145 PolarHBondContact O-N 3.49Å; E145-A147 VanDerWaalsContact C-N 3.35Å; E145-H152 VanDerWaalsContact CA-NE2 3.26Å; E145-H152 WeakPolarHBondContact CA-NE2 3.36Å; E145-H152 PolarHBondContact N-NE2 2.91Å
146	K	66.9	Low	61.2	Low	162 Å²	162	84.3 Å²	84.3	70%	0.704	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.4	174.9	-71.3	176.7	-177.7	-173.4	0	115.3	N142 I144	N142-K146 WeakPolarHBondContact O-CG 3.37Å; N142-K146 PolarHBondContact O-N 3.45Å; N142-K146 VanDerWaalsContact O-N 3.17Å; I144-K146 PolarHBondContact O-N 3.13Å; I144-K146 VanDerWaalsContact O-N 3.13Å
147	A	63.9	Low	61.4	Low	13 Å²	13	83.4 Å²	83.4	11%	0.107	40%	0.4	C	S	.	.	S	Bend	trans	-81	150.7	176.8	0	0	0	0	0	111	I144 E145 K149 M155	I144-A147 WeakPolarHBondContact O-CA 3.32Å; I144-A147 WeakPolarHBondContact O-CB 3.3Å; I144-A147 PolarHBondContact O-N 3.18Å; E145-A147 VanDerWaalsContact C-N 3.35Å; A147-K149 PolarHBondContact O-N 3.42Å; A147-M155 HydrophobicContact CB-SD 3.38Å; A147-M155 WeakPolarHBondContact CB-SD 2.91Å
148	P	71.9	Confident	61.3	Low	73 Å²	73	80 Å²	80	47%	0.474	39%	0.39	S	S	.	.			trans	-50.1	137.1	170.4	-23.9	32.3	0	0	0	110.7	H150 L151 H152	P148-H150 WeakPolarHBondContact CB-CE1 3.37Å; P148-H150 WeakPolarHBondContact CB-ND1 3.45Å; P148-H150 PolarHBondContact O-N 2.94Å; P148-H150 VanDerWaalsContact O-N 3.08Å; P148-L151 HydrophobicContact CB-CB 4.4Å; P148-L151 WeakPolarHBondContact O-CA 3.47Å; P148-L151 WeakPolarHBondContact O-CB 3.43Å; P148-L151 PolarHBondContact O-N 3.24Å; P148-H152 PolarHBondContact O-N 3.02Å
149	K	68.8	Low	60.8	Low	198 Å²	198	74.3 Å²	74.3	86%	0.861	37%	0.367	S	S	*	.	H	α-helix	trans	-52.9	-36	-174.8	-72.1	-176.2	178.5	177.8	0	113.3	A147 L151 H152	A147-K149 PolarHBondContact O-N 3.42Å; K149-L151 PolarHBondContact O-N 3.27Å; K149-H152 PolarHBondContact O-N 2.92Å
150	H	73.1	Confident	60.4	Low	138 Å²	138	76.7 Å²	76.7	64%	0.639	38%	0.377	S	S	*	.	H	α-helix	trans	-66.1	-22.5	176.3	74	-89.8	0	0	0	113.4	P148	P148-H150 WeakPolarHBondContact CB-CE1 3.37Å; P148-H150 WeakPolarHBondContact CB-ND1 3.45Å; P148-H150 PolarHBondContact O-N 2.94Å; P148-H150 VanDerWaalsContact O-N 3.08Å
151	L	65.7	Low	59.4	Low	58 Å²	58	78.6 Å²	78.6	30%	0.304	38%	0.383	S	S	.	.	H	α-helix	trans	-95.7	-14.9	-178.8	-132.2	76.9	0	0	0	113.2	P148 K149 H153 I154 M155	P148-L151 HydrophobicContact CB-CB 4.4Å; P148-L151 WeakPolarHBondContact O-CA 3.47Å; P148-L151 WeakPolarHBondContact O-CB 3.43Å; P148-L151 PolarHBondContact O-N 3.24Å; K149-L151 PolarHBondContact O-N 3.27Å; L151-H153 PolarHBondContact O-N 3.32Å; L151-I154 HydrophobicContact CD1-CD1 4.38Å; L151-I154 PolarHBondContact O-N 3.23Å; L151-M155 HydrophobicContact CB-CG 4.44Å; L151-M155 HydrophobicContact CB-SD 4.42Å; L151-M155 HydrophobicContact CD2-CG 4.02Å; L151-M155 HydrophobicContact CD2-SD 3.81Å; L151-M155 HydrophobicContact CG-CG 4.1Å; L151-M155 HydrophobicContact CG-SD 4.35Å; L151-M155 WeakPolarHBondContact O-CB 3.37Å; L151-M155 WeakPolarHBondContact O-CG 3.35Å; L151-M155 PolarHBondContact O-N 3.19Å
152	H	63.2	Low	58.5	Low	45 Å²	45	79.6 Å²	79.6	21%	0.208	39%	0.387	C	S	.	.	H	α-helix	trans	-50.1	-54.4	-179.8	-112.9	-131.4	0	0	0	112.8	I144 E145 P148 K149 M155 R156	I144-H152 HydrophobicContact CG2-CB 4.08Å; I144-H152 WeakPolarHBondContact CG2-CE1 3.18Å; I144-H152 WeakPolarHBondContact CG2-ND1 3.41Å; I144-H152 PolarHBondContact O-CD2 2.94Å; I144-H152 PolarHBondContact O-NE2 3.48Å; E145-H152 VanDerWaalsContact CA-NE2 3.26Å; E145-H152 WeakPolarHBondContact CA-NE2 3.36Å; E145-H152 PolarHBondContact N-NE2 2.91Å; P148-H152 PolarHBondContact O-N 3.02Å; K149-H152 PolarHBondContact O-N 2.92Å; H152-M155 PolarHBondContact O-N 3.18Å; H152-R156 WeakPolarHBondContact O-CB 3.31Å; H152-R156 PolarHBondContact O-N 2.76Å
153	H	59.7	Low	57.4	Low	133 Å²	133	80.2 Å²	80.2	62%	0.616	39%	0.393	S	S	*	.	H	α-helix	trans	-68.5	-38.4	-177.1	-178.5	-108.9	0	0	0	110.7	L151 N157	L151-H153 PolarHBondContact O-N 3.32Å; H153-N157 PolarHBondContact CD2-ND2 3.2Å; H153-N157 PolarHBondContact CE1-ND2 3.41Å; H153-N157 PolarHBondContact ND1-ND2 2.93Å; H153-N157 VanDerWaalsContact ND1-ND2 3.2Å; H153-N157 PolarHBondContact NE2-ND2 3.06Å; H153-N157 WeakPolarHBondContact O-CB 3.23Å; H153-N157 PolarHBondContact O-N 3.29Å; H153-N157 PolarHBondContact O-ND2 3.35Å; H153-N157 VanDerWaalsContact O-ND2 3.13Å
154	I	60.9	Low	56.1	Low	90 Å²	90	81.9 Å²	81.9	46%	0.462	40%	0.396	S	S	.	.	H	α-helix	trans	-65.5	-48	177.5	-60.3	175.4	0	0	0	110	L151 N157 T158	L151-I154 HydrophobicContact CD1-CD1 4.38Å; L151-I154 PolarHBondContact O-N 3.23Å; I154-N157 PolarHBondContact O-N 2.88Å; I154-T158 VanDerWaalsContact O-CB 3.26Å; I154-T158 WeakPolarHBondContact O-CB 3.38Å; I154-T158 PolarHBondContact O-N 3.36Å; I154-T158 PolarHBondContact O-OG1 3.09Å
155	M	57.4	Low	54.9	Low	64 Å²	64	85.4 Å²	85.4	32%	0.315	41%	0.41	S	S	.	.	H	α-helix	trans	-66.6	-42.2	-180	-70.7	-176	78.9	0	0	112.5	A147 L151 H152 C159	A147-M155 HydrophobicContact CB-SD 3.38Å; A147-M155 WeakPolarHBondContact CB-SD 2.91Å; L151-M155 HydrophobicContact CB-CG 4.44Å; L151-M155 HydrophobicContact CB-SD 4.42Å; L151-M155 HydrophobicContact CD2-CG 4.02Å; L151-M155 HydrophobicContact CD2-SD 3.81Å; L151-M155 HydrophobicContact CG-CG 4.1Å; L151-M155 HydrophobicContact CG-SD 4.35Å; L151-M155 WeakPolarHBondContact O-CB 3.37Å; L151-M155 WeakPolarHBondContact O-CG 3.35Å; L151-M155 PolarHBondContact O-N 3.19Å; H152-M155 PolarHBondContact O-N 3.18Å; M155-C159 WeakPolarHBondContact O-CB 3.11Å; M155-C159 PolarHBondContact O-N 3.32Å
156	R	56.4	Low	53.9	Low	84 Å²	84	82.6 Å²	82.6	32%	0.317	40%	0.398	S	S	.	.	H	α-helix	trans	-56.4	-52.7	171.1	-93.1	-168.9	-176.2	102.5	7.2	110.5	D141 I144 H152 Q160	D141-R156 IonicContact OD1-CZ 2.71Å; D141-R156 IonicContact OD1-NE 3.13Å; D141-R156 IonicContact OD1-NH2 2.66Å; D141-R156 PolarHBondContact OD1-NH2 2.94Å; I144-R156 HydrophobicContact CD1-CB 4.48Å; I144-R156 HydrophobicContact CD1-CG 3.2Å; I144-R156 HydrophobicContact CG1-CG 3.92Å; I144-R156 HydrophobicContact CG2-CG 4.27Å; H152-R156 WeakPolarHBondContact O-CB 3.31Å; H152-R156 PolarHBondContact O-N 2.76Å; R156-Q160 VanDerWaalsContact O-CB 3.28Å; R156-Q160 WeakPolarHBondContact O-CB 3.36Å; R156-Q160 WeakPolarHBondContact O-CG 3.05Å; R156-Q160 PolarHBondContact O-N 3.21Å
157	N	47.6	Very low	53.6	Low	49 Å²	49	77.7 Å²	77.7	26%	0.262	38%	0.379	S	S	.	.	H	α-helix	trans	-67.5	-42.1	-173.9	-72.6	-19.4	0	0	0	112.3	H153 I154 K161	H153-N157 PolarHBondContact CD2-ND2 3.2Å; H153-N157 PolarHBondContact CE1-ND2 3.41Å; H153-N157 PolarHBondContact ND1-ND2 2.93Å; H153-N157 VanDerWaalsContact ND1-ND2 3.2Å; H153-N157 PolarHBondContact NE2-ND2 3.06Å; H153-N157 WeakPolarHBondContact O-CB 3.23Å; H153-N157 PolarHBondContact O-N 3.29Å; H153-N157 PolarHBondContact O-ND2 3.35Å; H153-N157 VanDerWaalsContact O-ND2 3.13Å; I154-N157 PolarHBondContact O-N 2.88Å; N157-K161 WeakPolarHBondContact O-CB 3.33Å; N157-K161 VanDerWaalsContact O-CG 3.26Å; N157-K161 WeakPolarHBondContact O-CG 3.26Å; N157-K161 PolarHBondContact O-N 3.47Å
158	T	49.7	Very low	53.8	Low	64 Å²	64	78.6 Å²	78.6	39%	0.393	39%	0.39	S	S	.	.	H	α-helix	trans	-69.5	-42.7	-179.9	-58.4	0	0	0	0	111.4	I154 K161 Q162	I154-T158 VanDerWaalsContact O-CB 3.26Å; I154-T158 WeakPolarHBondContact O-CB 3.38Å; I154-T158 PolarHBondContact O-N 3.36Å; I154-T158 PolarHBondContact O-OG1 3.09Å; T158-K161 PolarHBondContact O-N 2.94Å; T158-Q162 WeakPolarHBondContact O-CB 3.48Å; T158-Q162 PolarHBondContact O-N 2.95Å
159	C	46.8	Very low	54	Low	15 Å²	15	75.9 Å²	75.9	10%	0.101	37%	0.374	C	S	.	.	H	α-helix	trans	-66.4	-44.6	177.3	-177.6	0	0	0	0	112.2	M155 T163 R360	M155-C159 WeakPolarHBondContact O-CB 3.11Å; M155-C159 PolarHBondContact O-N 3.32Å; C159-T163 WeakPolarHBondContact O-CB 3.45Å; C159-T163 PolarHBondContact O-N 3.4Å; C159-T163 VanDerWaalsContact O-N 3.13Å; C159-T163 PolarHBondContact O-OG1 3.45Å; C159-R360 VanDerWaalsContact SG-CZ 3.6Å; C159-R360 PolarHBondContact SG-NE 3.43Å; C159-R360 PolarHBondContact SG-NH2 3.37Å
160	Q	44.6	Very low	54.8	Low	97 Å²	97	67 Å²	67	45%	0.453	34%	0.335	S	S	.	.	H	α-helix	trans	-65.3	-43.2	175.7	-76.6	-177.8	-15.4	0	0	110.6	R156 F164	R156-Q160 VanDerWaalsContact O-CB 3.28Å; R156-Q160 WeakPolarHBondContact O-CB 3.36Å; R156-Q160 WeakPolarHBondContact O-CG 3.05Å; R156-Q160 PolarHBondContact O-N 3.21Å; Q160-F164 WeakPolarHBondContact O-CB 3.41Å; Q160-F164 PolarHBondContact O-N 2.97Å
161	K	36.6	Very low	55.5	Low	83 Å²	83	61.2 Å²	61.2	36%	0.361	31%	0.309	S	S	.	.	H	α-helix	trans	-58.1	-54.2	175.1	-90.7	-179.3	166	-176.5	0	112.2	N157 T158 T163 F164 Y165	N157-K161 WeakPolarHBondContact O-CB 3.33Å; N157-K161 VanDerWaalsContact O-CG 3.26Å; N157-K161 WeakPolarHBondContact O-CG 3.26Å; N157-K161 PolarHBondContact O-N 3.47Å; T158-K161 PolarHBondContact O-N 2.94Å; K161-T163 PolarHBondContact O-N 3.27Å; K161-F164 PolarHBondContact O-N 3.44Å; K161-F164 VanDerWaalsContact O-N 3.15Å; K161-Y165 HydrophobicContact CB-CD2 3.75Å; K161-Y165 HydrophobicContact CB-CE2 3.39Å; K161-Y165 HydrophobicContact CD-CE2 3.74Å; K161-Y165 WeakPolarHBondContact CE-OH 3.37Å; K161-Y165 HydrophobicContact CG-CD2 4.23Å; K161-Y165 HydrophobicContact CG-CE2 3.39Å; K161-Y165 WeakPolarHBondContact O-CB 3.48Å; K161-Y165 WeakPolarHBondContact O-CD2 3.44Å; K161-Y165 VanDerWaalsContact O-CG 3.24Å; K161-Y165 PolarHBondContact O-N 2.84Å
162	Q	43.6	Very low	56.7	Low	72 Å²	72	60.4 Å²	60.4	34%	0.336	30%	0.302	S	S	.	.	H	α-helix	trans	-61.9	-43	-177.6	-81.8	175.9	-20.9	0	0	112.3	T158 F164 M166 D244	T158-Q162 WeakPolarHBondContact O-CB 3.48Å; T158-Q162 PolarHBondContact O-N 2.95Å; Q162-F164 VanDerWaalsContact C-N 3.31Å; Q162-F164 PolarHBondContact O-N 2.71Å; Q162-M166 WeakPolarHBondContact O-CG 3.48Å; Q162-M166 PolarHBondContact O-N 3.44Å; Q162-D244 PolarHBondContact NE2-OD2 3.23Å
163	T	41.3	Very low	58.1	Low	77 Å²	77	58.5 Å²	58.5	47%	0.472	29%	0.293	S	S	.	.	H	α-helix	trans	-65.3	-37.3	176.5	-46.2	0	0	0	0	111.1	C159 K161 N167	C159-T163 WeakPolarHBondContact O-CB 3.45Å; C159-T163 PolarHBondContact O-N 3.4Å; C159-T163 VanDerWaalsContact O-N 3.13Å; C159-T163 PolarHBondContact O-OG1 3.45Å; K161-T163 PolarHBondContact O-N 3.27Å; T163-N167 PolarHBondContact O-ND2 3.46Å
164	F	32.2	Very low	59.8	Low	63 Å²	63	52.4 Å²	52.4	28%	0.276	27%	0.265	S	S	.	.	H	α-helix	trans	-75.1	-40.9	-179.5	-175.2	-106.5	0	0	0	113.4	F85 Q160 K161 Q162 N167 G168	F85-F164 HydrophobicContact CB-CD2 4.42Å; F85-F164 HydrophobicContact CB-CE2 3.28Å; F85-F164 HydrophobicContact CB-CZ 3.47Å; F85-F164 VanDerWaalsContact CB-CZ 3.47Å; F85-F164 AromaticContact CD1-CD2 3.92Å; F85-F164 HydrophobicContact CD1-CD2 3.92Å; F85-F164 AromaticContact CD1-CE2 3.54Å; F85-F164 HydrophobicContact CD1-CE2 3.54Å; F85-F164 HydrophobicContact CD1-CZ 4.36Å; F85-F164 AromaticContact CD2-CE2 3.92Å; F85-F164 HydrophobicContact CD2-CE2 3.92Å; F85-F164 HydrophobicContact CE1-CD2 4.3Å; F85-F164 HydrophobicContact CE1-CE2 4.3Å; F85-F164 HydrophobicContact CG-CD2 4.1Å; F85-F164 AromaticContact CG-CE2 3.31Å; F85-F164 HydrophobicContact CG-CE2 3.31Å; F85-F164 HydrophobicContact CG-CZ 4.05Å; Q160-F164 WeakPolarHBondContact O-CB 3.41Å; Q160-F164 PolarHBondContact O-N 2.97Å; K161-F164 PolarHBondContact O-N 3.44Å; K161-F164 VanDerWaalsContact O-N 3.15Å; Q162-F164 VanDerWaalsContact C-N 3.31Å; Q162-F164 PolarHBondContact O-N 2.71Å; F164-N167 PolarHBondContact O-N 2.91Å; F164-G168 PolarHBondContact O-N 2.97Å; F164-G168 VanDerWaalsContact O-N 3.09Å
165	Y	36.7	Very low	61.4	Low	78 Å²	78	48.3 Å²	48.3	31%	0.306	24%	0.244	S	C	.	.	H	α-helix	trans	-68.4	-40.1	-179.9	-70	-51.7	0	0	0	111.9	K161 N167 G168	K161-Y165 HydrophobicContact CB-CD2 3.75Å; K161-Y165 HydrophobicContact CB-CE2 3.39Å; K161-Y165 HydrophobicContact CD-CE2 3.74Å; K161-Y165 WeakPolarHBondContact CE-OH 3.37Å; K161-Y165 HydrophobicContact CG-CD2 4.23Å; K161-Y165 HydrophobicContact CG-CE2 3.39Å; K161-Y165 WeakPolarHBondContact O-CB 3.48Å; K161-Y165 WeakPolarHBondContact O-CD2 3.44Å; K161-Y165 VanDerWaalsContact O-CG 3.24Å; K161-Y165 PolarHBondContact O-N 2.84Å; Y165-N167 PolarHBondContact O-N 3.3Å; Y165-G168 PolarHBondContact O-N 2.88Å
166	M	45.3	Very low	63.2	Low	78 Å²	78	45.4 Å²	45.4	38%	0.384	23%	0.231	S	C	.	.	H	α-helix	trans	-63.2	-24.7	173.7	-72	-168.3	75.7	0	0	113	Q162 F170	Q162-M166 WeakPolarHBondContact O-CG 3.48Å; Q162-M166 PolarHBondContact O-N 3.44Å; M166-F170 WeakPolarHBondContact O-CB 3.28Å
167	N	60.4	Low	65.1	Low	60 Å²	60	41.5 Å²	41.5	32%	0.321	22%	0.216	S	C	.	.	H	α-helix	trans	-88.3	-35.7	-177.6	-71.6	-19.4	0	0	0	112.9	T163 F164 Y165 N171	T163-N167 PolarHBondContact O-ND2 3.46Å; F164-N167 PolarHBondContact O-N 2.91Å; Y165-N167 PolarHBondContact O-N 3.3Å; N167-N171 WeakPolarHBondContact O-CB 3.35Å; N167-N171 PolarHBondContact O-N 3.4Å; N167-N171 PolarHBondContact O-ND2 2.85Å; N167-N171 PolarHBondContact O-OD1 3.07Å
168	G	68	Low	67.5	Low	31 Å²	31	39.2 Å²	39.2	32%	0.32	20%	0.204	S	C	.	.	H	α-helix	trans	-64.5	-52.9	-175.6	0	0	0	0	0	113.7	F164 Y165 Y172	F164-G168 PolarHBondContact O-N 2.97Å; F164-G168 VanDerWaalsContact O-N 3.09Å; Y165-G168 PolarHBondContact O-N 2.88Å; G168-Y172 WeakPolarHBondContact O-CD2 3.46Å; G168-Y172 WeakPolarHBondContact O-CE2 3.31Å
169	A	76.4	Confident	69.7	Low	17 Å²	17	39.1 Å²	39.1	14%	0.14	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-43.4	176.8	0	0	0	0	0	111.4	N171 Y172 T255	A169-N171 VanDerWaalsContact C-N 3.35Å; A169-N171 PolarHBondContact O-N 2.92Å; A169-Y172 WeakPolarHBondContact O-CB 3.14Å; A169-Y172 PolarHBondContact O-N 3.24Å; A169-Y172 VanDerWaalsContact O-N 3.1Å; A169-T255 HydrophobicContact CB-CG2 4.46Å; A169-T255 WeakPolarHBondContact CB-OG1 3.37Å
170	F	84.3	Confident	72.1	Confident	11 Å²	11	38.4 Å²	38.4	5%	0.048	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-39.3	-179.2	-179.3	-130.3	0	0	0	114.1	M166 Y172 Y173 L174 I229 I367 L371	M166-F170 WeakPolarHBondContact O-CB 3.28Å; F170-Y172 PolarHBondContact O-N 3.21Å; F170-Y173 PolarHBondContact O-N 3.07Å; F170-Y173 VanDerWaalsContact O-N 3.07Å; F170-L174 HydrophobicContact CD1-CD1 3.97Å; F170-L174 HydrophobicContact CD1-CG 4.48Å; F170-L174 HydrophobicContact CD2-CG 4.37Å; F170-L174 HydrophobicContact CE1-CD1 3.56Å; F170-L174 HydrophobicContact CE1-CD2 4.49Å; F170-L174 HydrophobicContact CE1-CG 4.18Å; F170-L174 HydrophobicContact CE2-CD1 4.34Å; F170-L174 HydrophobicContact CE2-CD2 3.96Å; F170-L174 HydrophobicContact CE2-CG 4.05Å; F170-L174 HydrophobicContact CZ-CD1 3.77Å; F170-L174 HydrophobicContact CZ-CD2 3.85Å; F170-L174 HydrophobicContact CZ-CG 3.96Å; F170-L174 PolarHBondContact O-N 3.2Å; F170-L174 VanDerWaalsContact O-N 3.1Å; F170-I229 HydrophobicContact CE2-CG2 3.8Å; F170-I367 HydrophobicContact CE1-CG2 4.41Å; F170-L371 HydrophobicContact CE2-CD1 4.09Å; F170-L371 HydrophobicContact CE2-CD2 4.14Å; F170-L371 HydrophobicContact CZ-CD1 3.91Å; F170-L371 HydrophobicContact CZ-CD2 3.86Å; F170-L371 HydrophobicContact CZ-CG 4.25Å
171	N	87.9	Confident	74.6	Confident	16 Å²	16	34 Å²	34	9%	0.086	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-28.3	177.2	-72	-16.4	0	0	0	112.4	F78 N167 A169 A175	F78-N171 HydrophobicContact CB-CB 4.23Å; N167-N171 WeakPolarHBondContact O-CB 3.35Å; N167-N171 PolarHBondContact O-N 3.4Å; N167-N171 PolarHBondContact O-ND2 2.85Å; N167-N171 PolarHBondContact O-OD1 3.07Å; A169-N171 VanDerWaalsContact C-N 3.35Å; A169-N171 PolarHBondContact O-N 2.92Å; N171-A175 VanDerWaalsContact O-CB 3.3Å; N171-A175 WeakPolarHBondContact O-CB 3.46Å; N171-A175 PolarHBondContact O-N 3.38Å
172	Y	91.6	Very high	77.5	Confident	42 Å²	42	31.4 Å²	31.4	17%	0.165	17%	0.165	C	C	.	.	H	α-helix	trans	-70	-38.2	174.3	-69	-77.5	0	0	0	112.5	R82 G168 A169 F170 A175 S176 K252 T255	R82-Y172 WeakPolarHBondContact CD-OH 3.48Å; R82-Y172 PolarHBondContact NE-OH 3.47Å; R82-Y172 PolarHBondContact NH1-OH 3.31Å; G168-Y172 WeakPolarHBondContact O-CD2 3.46Å; G168-Y172 WeakPolarHBondContact O-CE2 3.31Å; A169-Y172 WeakPolarHBondContact O-CB 3.14Å; A169-Y172 PolarHBondContact O-N 3.24Å; A169-Y172 VanDerWaalsContact O-N 3.1Å; F170-Y172 PolarHBondContact O-N 3.21Å; Y172-A175 PolarHBondContact O-N 2.97Å; Y172-S176 WeakPolarHBondContact O-CB 3.11Å; Y172-S176 PolarHBondContact O-N 2.94Å; Y172-K252 HydrophobicContact CE2-CG 4.21Å; Y172-K252 WeakPolarHBondContact OH-CE 3.49Å; Y172-T255 HydrophobicContact CD2-CG2 4.41Å; Y172-T255 HydrophobicContact CG-CG2 4.49Å
173	Y	93.9	Very high	79.9	Confident	5 Å²	5	31.7 Å²	31.7	2%	0.02	17%	0.165	C	C	.	.	H	α-helix	trans	-65.1	-43.4	174.3	-66.2	-56.6	0	0	0	111.3	F170 A175 S176 L177 T225 V228 I229 T255 I258 I259	F170-Y173 PolarHBondContact O-N 3.07Å; F170-Y173 VanDerWaalsContact O-N 3.07Å; Y173-A175 VanDerWaalsContact C-N 3.31Å; Y173-A175 PolarHBondContact O-N 3.49Å; Y173-S176 WeakPolarHBondContact O-CB 3.24Å; Y173-S176 PolarHBondContact O-N 3.27Å; Y173-L177 PolarHBondContact O-N 2.99Å; Y173-T225 WeakPolarHBondContact O-CG2 3.33Å; Y173-V228 HydrophobicContact CD1-CG1 4.13Å; Y173-V228 HydrophobicContact CE1-CG1 3.46Å; Y173-V228 VanDerWaalsContact CE1-CG1 3.46Å; Y173-V228 HydrophobicContact CE2-CG1 4.32Å; Y173-I229 HydrophobicContact CD2-CG1 4.47Å; Y173-I229 HydrophobicContact CG-CG1 4.08Å; Y173-T255 HydrophobicContact CD1-CG2 4.47Å; Y173-T255 HydrophobicContact CD2-CG2 4.34Å; Y173-T255 HydrophobicContact CE1-CG2 4.03Å; Y173-T255 HydrophobicContact CE2-CG2 3.91Å; Y173-I258 HydrophobicContact CE1-CB 4.5Å; Y173-I258 HydrophobicContact CE1-CG2 4.11Å; Y173-I258 WeakPolarHBondContact OH-CD1 3.28Å; Y173-I259 HydrophobicContact CD1-CD1 4.08Å; Y173-I259 HydrophobicContact CD1-CG1 3.87Å; Y173-I259 HydrophobicContact CE1-CD1 4.35Å; Y173-I259 HydrophobicContact CE1-CG1 3.92Å
174	L	93.5	Very high	82.4	Confident	4 Å²	4	28.2 Å²	28.2	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-64.1	-36	175.7	-61.8	179.7	0	0	0	112.3	F78 F170 G178 I229 Y428	F78-L174 HydrophobicContact CD1-CB 4.19Å; F78-L174 HydrophobicContact CD1-CD1 3.93Å; F78-L174 HydrophobicContact CD2-CB 3.67Å; F78-L174 HydrophobicContact CE1-CB 4.15Å; F78-L174 HydrophobicContact CE1-CD1 3.41Å; F78-L174 VanDerWaalsContact CE1-CD1 3.41Å; F78-L174 HydrophobicContact CE1-CG 4.44Å; F78-L174 HydrophobicContact CE2-CB 3.62Å; F78-L174 HydrophobicContact CE2-CD1 4.22Å; F78-L174 HydrophobicContact CG-CB 3.99Å; F78-L174 HydrophobicContact CZ-CB 3.88Å; F78-L174 HydrophobicContact CZ-CD1 3.58Å; F78-L174 HydrophobicContact CZ-CG 4.32Å; F170-L174 HydrophobicContact CD1-CD1 3.97Å; F170-L174 HydrophobicContact CD1-CG 4.48Å; F170-L174 HydrophobicContact CD2-CG 4.37Å; F170-L174 HydrophobicContact CE1-CD1 3.56Å; F170-L174 HydrophobicContact CE1-CD2 4.49Å; F170-L174 HydrophobicContact CE1-CG 4.18Å; F170-L174 HydrophobicContact CE2-CD1 4.34Å; F170-L174 HydrophobicContact CE2-CD2 3.96Å; F170-L174 HydrophobicContact CE2-CG 4.05Å; F170-L174 HydrophobicContact CZ-CD1 3.77Å; F170-L174 HydrophobicContact CZ-CD2 3.85Å; F170-L174 HydrophobicContact CZ-CG 3.96Å; F170-L174 PolarHBondContact O-N 3.2Å; F170-L174 VanDerWaalsContact O-N 3.1Å; L174-G178 PolarHBondContact O-N 3.13Å; L174-I229 HydrophobicContact CD2-CD1 4.24Å; L174-Y428 HydrophobicContact CD2-CE1 4.01Å; L174-Y428 WeakPolarHBondContact CD2-OH 3.44Å
175	A	94.7	Very high	85.4	Confident	4 Å²	4	25.2 Å²	25.2	3%	0.033	13%	0.131	C	C	.	.	H	α-helix	trans	-68.6	-40.3	173.4	0	0	0	0	0	111.8	F78 L79 N171 Y172 Y173 L177 G178 I179	F78-A175 HydrophobicContact CB-CB 4.26Å; L79-A175 HydrophobicContact CD2-CB 3.95Å; L79-A175 HydrophobicContact CG-CB 4.28Å; N171-A175 VanDerWaalsContact O-CB 3.3Å; N171-A175 WeakPolarHBondContact O-CB 3.46Å; N171-A175 PolarHBondContact O-N 3.38Å; Y172-A175 PolarHBondContact O-N 2.97Å; Y173-A175 VanDerWaalsContact C-N 3.31Å; Y173-A175 PolarHBondContact O-N 3.49Å; A175-L177 VanDerWaalsContact C-N 3.34Å; A175-G178 PolarHBondContact O-N 3.48Å; A175-I179 VanDerWaalsContact O-CG1 3.28Å; A175-I179 WeakPolarHBondContact O-CG1 3.49Å; A175-I179 PolarHBondContact O-N 3.15Å
176	S	96.6	Very high	88	Confident	4 Å²	4	25.5 Å²	25.5	3%	0.028	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-44.1	175.1	-170.5	0	0	0	0	111.5	Y172 Y173 I179 S180 W263	Y172-S176 WeakPolarHBondContact O-CB 3.11Å; Y172-S176 PolarHBondContact O-N 2.94Å; Y173-S176 WeakPolarHBondContact O-CB 3.24Å; Y173-S176 PolarHBondContact O-N 3.27Å; S176-I179 PolarHBondContact O-N 3.31Å; S176-S180 PolarHBondContact O-N 3.49Å; S176-W263 PolarHBondContact OG-NE1 3.39Å; S176-W263 VanDerWaalsContact OG-NE1 3.12Å
177	L	96.2	Very high	90	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-62.3	-43.8	173.8	-176.1	64.7	0	0	0	111.6	Y173 A175 I179 S180 D181 T225 N226 I374	Y173-L177 PolarHBondContact O-N 2.99Å; A175-L177 VanDerWaalsContact C-N 3.34Å; L177-I179 VanDerWaalsContact C-N 3.28Å; L177-I179 PolarHBondContact O-N 3.36Å; L177-S180 PolarHBondContact O-N 3.18Å; L177-S180 PolarHBondContact O-OG 3.45Å; L177-D181 PolarHBondContact O-N 3.06Å; L177-D181 VanDerWaalsContact O-N 3.1Å; L177-T225 HydrophobicContact CB-CG2 4.07Å; L177-N226 WeakPolarHBondContact CD2-OD1 3.26Å; L177-I374 HydrophobicContact CD2-CG2 4.47Å
178	G	96.7	Very high	91.5	Very high	2 Å²	2	23 Å²	23	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-61.4	-35.1	174.8	0	0	0	0	0	113	L174 A175 L182	L174-G178 PolarHBondContact O-N 3.13Å; A175-G178 PolarHBondContact O-N 3.48Å; G178-L182 WeakPolarHBondContact O-CB 3.39Å; G178-L182 PolarHBondContact O-N 3.14Å
179	I	97.2	Very high	92.7	Very high	62 Å²	62	21.7 Å²	21.7	32%	0.318	11%	0.107	S	C	.	.	H	α-helix	trans	-66.2	-46.1	177.5	-70.4	162.9	0	0	0	110.5	I75 A175 S176 L177 D181 L182 F183 W263	I75-I179 HydrophobicContact CD1-CG1 3.91Å; I75-I179 HydrophobicContact CG1-CG1 4.33Å; A175-I179 VanDerWaalsContact O-CG1 3.28Å; A175-I179 WeakPolarHBondContact O-CG1 3.49Å; A175-I179 PolarHBondContact O-N 3.15Å; S176-I179 PolarHBondContact O-N 3.31Å; L177-I179 VanDerWaalsContact C-N 3.28Å; L177-I179 PolarHBondContact O-N 3.36Å; I179-D181 PolarHBondContact O-N 3.13Å; I179-L182 PolarHBondContact O-N 3.26Å; I179-F183 HydrophobicContact CG2-CD2 4.11Å; I179-F183 HydrophobicContact CG2-CE2 4.14Å; I179-F183 VanDerWaalsContact O-CD2 3.32Å; I179-F183 WeakPolarHBondContact O-CD2 3.44Å; I179-F183 PolarHBondContact O-N 2.92Å; I179-F183 VanDerWaalsContact O-N 3.13Å; I179-W263 HydrophobicContact CB-CZ2 4.32Å; I179-W263 HydrophobicContact CG2-CH2 3.96Å; I179-W263 HydrophobicContact CG2-CZ2 3.85Å
180	S	97.4	Very high	93.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.7	-43.9	178.2	50.7	0	0	0	0	111.9	S176 L177 L182 F183 M184 S222	S176-S180 PolarHBondContact O-N 3.49Å; L177-S180 PolarHBondContact O-N 3.18Å; L177-S180 PolarHBondContact O-OG 3.45Å; S180-L182 PolarHBondContact O-N 2.72Å; S180-F183 PolarHBondContact O-N 3.08Å; S180-M184 WeakPolarHBondContact O-CG 3.37Å; S180-M184 PolarHBondContact O-N 3.06Å; S180-S222 VanDerWaalsContact CB-OG 3.26Å; S180-S222 WeakPolarHBondContact CB-OG 3.36Å; S180-S222 PolarHBondContact OG-OG 3.34Å
181	D	96.9	Very high	93.9	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-67.4	-33.8	177.2	-68.8	-37.5	0	0	0	113	S67 N71 L177 I179 M184 G185 N424	S67-D181 PolarHBondContact OG-O 2.97Å; N71-D181 WeakPolarHBondContact ND2-CB 3.17Å; L177-D181 PolarHBondContact O-N 3.06Å; L177-D181 VanDerWaalsContact O-N 3.1Å; I179-D181 PolarHBondContact O-N 3.13Å; D181-M184 WeakPolarHBondContact O-CB 3.37Å; D181-M184 PolarHBondContact O-N 3.48Å; D181-G185 PolarHBondContact O-N 3.22Å; D181-N424 PolarHBondContact OD2-ND2 3.05Å
182	L	96.5	Very high	94.1	Very high	29 Å²	29	23.8 Å²	23.8	15%	0.152	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-45.2	174	177.6	66.2	0	0	0	111.5	F68 N71 T72 I75 G178 I179 S180 M184 G185 L186	F68-L182 HydrophobicContact CD2-CD1 3.56Å; F68-L182 HydrophobicContact CE2-CD1 3.96Å; F68-L182 HydrophobicContact CG-CD1 4.32Å; N71-L182 HydrophobicContact CB-CB 4.1Å; T72-L182 WeakPolarHBondContact OG1-CD1 3.49Å; I75-L182 HydrophobicContact CD1-CB 4.25Å; I75-L182 HydrophobicContact CD1-CD2 3.85Å; G178-L182 WeakPolarHBondContact O-CB 3.39Å; G178-L182 PolarHBondContact O-N 3.14Å; I179-L182 PolarHBondContact O-N 3.26Å; S180-L182 PolarHBondContact O-N 2.72Å; L182-M184 VanDerWaalsContact C-N 3.32Å; L182-G185 PolarHBondContact O-N 3.1Å; L182-L186 WeakPolarHBondContact O-CB 3.3Å; L182-L186 PolarHBondContact O-N 2.91Å
183	F	95	Very high	94.1	Very high	78 Å²	78	22.5 Å²	22.5	34%	0.342	11%	0.112	S	C	.	.	H	α-helix	trans	-69.3	-30.4	177.7	-86.5	-102.6	0	0	0	112.2	I179 S180 L186 F187 M218	I179-F183 HydrophobicContact CG2-CD2 4.11Å; I179-F183 HydrophobicContact CG2-CE2 4.14Å; I179-F183 VanDerWaalsContact O-CD2 3.32Å; I179-F183 WeakPolarHBondContact O-CD2 3.44Å; I179-F183 PolarHBondContact O-N 2.92Å; I179-F183 VanDerWaalsContact O-N 3.13Å; S180-F183 PolarHBondContact O-N 3.08Å; F183-L186 PolarHBondContact O-N 2.99Å; F183-F187 AromaticContact CD1-CD2 3.62Å; F183-F187 HydrophobicContact CD1-CD2 3.62Å; F183-F187 AromaticContact CD1-CE2 3.62Å; F183-F187 HydrophobicContact CD1-CE2 3.62Å; F183-F187 HydrophobicContact CE1-CD2 4.2Å; F183-F187 AromaticContact CE1-CE2 3.71Å; F183-F187 HydrophobicContact CE1-CE2 3.71Å; F183-F187 HydrophobicContact CG-CD2 4.41Å; F183-F187 PolarHBondContact O-N 2.87Å; F183-M218 HydrophobicContact CB-CE 3.87Å; F183-M218 HydrophobicContact CB-CG 3.89Å; F183-M218 HydrophobicContact CB-SD 3.63Å; F183-M218 HydrophobicContact CD1-CE 4.17Å; F183-M218 HydrophobicContact CG-CE 4.11Å; F183-M218 HydrophobicContact CG-SD 4.3Å
184	M	94.3	Very high	93.9	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.02	12%	0.122	C	C	.	.	I	π-helix	trans	-60	-47.2	168.4	-71	-68.3	-73.8	0	0	111.4	S180 D181 L182 C188 I189 Q215 M218 W382 M418	S180-M184 WeakPolarHBondContact O-CG 3.37Å; S180-M184 PolarHBondContact O-N 3.06Å; D181-M184 WeakPolarHBondContact O-CB 3.37Å; D181-M184 PolarHBondContact O-N 3.48Å; L182-M184 VanDerWaalsContact C-N 3.32Å; M184-C188 HydrophobicContact CE-CB 4.33Å; M184-C188 WeakPolarHBondContact O-CB 3Å; M184-C188 PolarHBondContact O-N 3.47Å; M184-C188 VanDerWaalsContact O-N 3.08Å; M184-C188 HydrophobicContact SD-CB 3.9Å; M184-I189 WeakPolarHBondContact O-CG1 3.12Å; M184-I189 PolarHBondContact O-N 2.97Å; M184-Q215 HydrophobicContact CE-CG 4.15Å; M184-Q215 HydrophobicContact SD-CG 4.28Å; M184-M218 HydrophobicContact CG-CB 3.58Å; M184-M218 HydrophobicContact CG-CG 4.24Å; M184-M218 HydrophobicContact SD-CB 3.54Å; M184-M218 VanDerWaalsContact SD-CB 3.54Å; M184-M218 HydrophobicContact SD-CG 4.26Å; M184-W382 HydrophobicContact CE-CH2 3.97Å; M184-W382 HydrophobicContact CE-CZ2 4.11Å; M184-M418 HydrophobicContact CE-CE 3.86Å; M184-M418 HydrophobicContact CE-SD 3.49Å; M184-M418 WeakPolarHBondContact CE-SD 2.98Å
185	G	93.4	Very high	93.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	13%	0.13	C	C	.	.	I	π-helix	trans	-63.4	-40.5	176.2	0	0	0	0	0	114.1	M64 D181 L182 P190	M64-G185 WeakPolarHBondContact CG-O 3.25Å; D181-G185 PolarHBondContact O-N 3.22Å; L182-G185 PolarHBondContact O-N 3.1Å; G185-P190 WeakPolarHBondContact O-CD 3.49Å
186	L	91.4	Very high	93.3	Very high	84 Å²	84	26.9 Å²	26.9	44%	0.44	14%	0.135	S	C	.	.	I	π-helix	trans	-80.2	-41.5	-173.8	-177.7	61.1	0	0	0	113.7	F68 L182 F183 P190	F68-L186 HydrophobicContact CE2-CD1 4.43Å; L182-L186 WeakPolarHBondContact O-CB 3.3Å; L182-L186 PolarHBondContact O-N 2.91Å; F183-L186 PolarHBondContact O-N 2.99Å; L186-P190 WeakPolarHBondContact O-CG 3.37Å
187	F	88.1	Confident	92.8	Very high	86 Å²	86	31.1 Å²	31.1	38%	0.377	15%	0.151	S	C	.	.	I	π-helix	trans	-108.9	-52.7	-174.8	-66.9	-80.4	0	0	0	111.2	F183 P190 F191 V214	F183-F187 AromaticContact CD1-CD2 3.62Å; F183-F187 HydrophobicContact CD1-CD2 3.62Å; F183-F187 AromaticContact CD1-CE2 3.62Å; F183-F187 HydrophobicContact CD1-CE2 3.62Å; F183-F187 HydrophobicContact CE1-CD2 4.2Å; F183-F187 AromaticContact CE1-CE2 3.71Å; F183-F187 HydrophobicContact CE1-CE2 3.71Å; F183-F187 HydrophobicContact CG-CD2 4.41Å; F183-F187 PolarHBondContact O-N 2.87Å; F187-P190 WeakPolarHBondContact O-CD 3.23Å; F187-F191 HydrophobicContact CD1-CE2 4.24Å; F187-F191 WeakPolarHBondContact O-CD2 3.3Å; F187-V214 HydrophobicContact CB-CG1 4.47Å
188	C	92.2	Very high	92.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.	I	π-helix	trans	-71.5	-49.5	-165.5	-52.7	0	0	0	0	112.3	M184 T192 Q215 M418	M184-C188 HydrophobicContact CE-CB 4.33Å; M184-C188 WeakPolarHBondContact O-CB 3Å; M184-C188 PolarHBondContact O-N 3.47Å; M184-C188 VanDerWaalsContact O-N 3.08Å; M184-C188 HydrophobicContact SD-CB 3.9Å; C188-T192 WeakPolarHBondContact O-CB 3.38Å; C188-T192 WeakPolarHBondContact O-CG2 3.4Å; C188-T192 PolarHBondContact O-N 3.07Å; C188-T192 VanDerWaalsContact O-N 3.1Å; C188-T192 PolarHBondContact O-OG1 3.37Å; C188-Q215 HydrophobicContact CB-CB 4.16Å; C188-Q215 HydrophobicContact CB-CG 4.45Å; C188-Q215 WeakPolarHBondContact SG-CA 3.42Å; C188-M418 HydrophobicContact CB-CE 4.33Å
189	I	93.4	Very high	91.8	Very high	2 Å²	2	39 Å²	39	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-57.8	-53.6	-176.8	-67.1	168.3	0	0	0	112.8	Y60 T63 M64 M184 F191 T192 F193 M418	Y60-I189 HydrophobicContact CD1-CG2 4.2Å; T63-I189 HydrophobicContact CG2-CD1 3.92Å; M64-I189 HydrophobicContact CB-CG2 3.93Å; M64-I189 HydrophobicContact CG-CG2 4.37Å; M184-I189 WeakPolarHBondContact O-CG1 3.12Å; M184-I189 PolarHBondContact O-N 2.97Å; I189-F191 PolarHBondContact O-N 3.37Å; I189-T192 PolarHBondContact O-OG1 2.83Å; I189-F193 WeakPolarHBondContact O-CB 3.25Å; I189-F193 PolarHBondContact O-N 2.92Å; I189-M418 HydrophobicContact CD1-CB 4.23Å; I189-M418 HydrophobicContact CD1-SD 4.42Å; I189-M418 HydrophobicContact CG1-CB 4.02Å; I189-M418 HydrophobicContact CG1-CG 3.97Å; I189-M418 HydrophobicContact CG1-SD 3.61Å
190	P	92.8	Very high	91.3	Very high	33 Å²	33	38.7 Å²	38.7	21%	0.214	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-41.7	-175.3	21.8	-32.8	0	0	0	113.7	M64 G185 L186 F187 T194	M64-P190 HydrophobicContact SD-CB 4.19Å; M64-P190 HydrophobicContact SD-CG 4.44Å; G185-P190 WeakPolarHBondContact O-CD 3.49Å; L186-P190 WeakPolarHBondContact O-CG 3.37Å; F187-P190 WeakPolarHBondContact O-CD 3.23Å; P190-T194 WeakPolarHBondContact O-CB 3.46Å; P190-T194 PolarHBondContact O-N 3.41Å; P190-T194 VanDerWaalsContact O-N 3.07Å; P190-T194 PolarHBondContact O-OG1 2.68Å
191	F	93.1	Very high	90.9	Very high	47 Å²	47	39 Å²	39	21%	0.206	19%	0.187	C	C	.	.	H	α-helix	trans	-71.1	-46.4	-178.5	-66.5	-65.3	0	0	0	112	F187 I189 T194 Q195 W201 F203 V211	F187-F191 HydrophobicContact CD1-CE2 4.24Å; F187-F191 WeakPolarHBondContact O-CD2 3.3Å; I189-F191 PolarHBondContact O-N 3.37Å; F191-T194 PolarHBondContact O-N 3.02Å; F191-Q195 PolarHBondContact O-N 3.37Å; F191-Q195 VanDerWaalsContact O-N 3.13Å; F191-W201 HydrophobicContact CB-CH2 4.23Å; F191-F203 HydrophobicContact CB-CE2 4.27Å; F191-F203 AromaticContact CD1-CD1 3.87Å; F191-F203 HydrophobicContact CD1-CD1 3.87Å; F191-F203 AromaticContact CD1-CD2 3.85Å; F191-F203 HydrophobicContact CD1-CD2 3.85Å; F191-F203 AromaticContact CD1-CE1 3.64Å; F191-F203 HydrophobicContact CD1-CE1 3.64Å; F191-F203 AromaticContact CD1-CE2 3.62Å; F191-F203 HydrophobicContact CD1-CE2 3.62Å; F191-F203 AromaticContact CD1-CG 3.97Å; F191-F203 HydrophobicContact CD1-CG 3.97Å; F191-F203 AromaticContact CD1-CZ 3.51Å; F191-F203 HydrophobicContact CD1-CZ 3.51Å; F191-F203 AromaticContact CE1-CD1 3.89Å; F191-F203 HydrophobicContact CE1-CD1 3.89Å; F191-F203 AromaticContact CE1-CE1 3.75Å; F191-F203 HydrophobicContact CE1-CE1 3.75Å; F191-F203 HydrophobicContact CE1-CG 4.34Å; F191-F203 HydrophobicContact CE1-CZ 4.1Å; F191-F203 HydrophobicContact CG-CE2 4.43Å; F191-V211 HydrophobicContact CB-CB 4.39Å; F191-V211 HydrophobicContact CB-CG1 3.79Å; F191-V211 HydrophobicContact CB-CG2 3.74Å; F191-V211 HydrophobicContact CD2-CG2 3.54Å; F191-V211 HydrophobicContact CE2-CG2 4.39Å; F191-V211 HydrophobicContact CG-CG2 3.69Å
192	T	91.6	Very high	90.6	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.049	21%	0.205	C	C	.	.	H	α-helix	trans	-67.6	-40.3	179.1	54	0	0	0	0	112.2	C188 I189 T194 Q195 I196 V211 H414	C188-T192 WeakPolarHBondContact O-CB 3.38Å; C188-T192 WeakPolarHBondContact O-CG2 3.4Å; C188-T192 PolarHBondContact O-N 3.07Å; C188-T192 VanDerWaalsContact O-N 3.1Å; C188-T192 PolarHBondContact O-OG1 3.37Å; I189-T192 PolarHBondContact O-OG1 2.83Å; T192-T194 VanDerWaalsContact C-N 3.35Å; T192-T194 PolarHBondContact O-N 3.47Å; T192-Q195 PolarHBondContact O-N 3.1Å; T192-I196 VanDerWaalsContact O-CG1 3.3Å; T192-I196 WeakPolarHBondContact O-CG1 3.19Å; T192-I196 PolarHBondContact O-N 3.13Å; T192-V211 HydrophobicContact CG2-CG1 4.02Å; T192-H414 WeakPolarHBondContact CB-NE2 3.41Å; T192-H414 PolarHBondContact OG1-CE1 3.04Å; T192-H414 PolarHBondContact OG1-NE2 3.23Å
193	F	91	Very high	90.5	Very high	16 Å²	16	42.6 Å²	42.6	7%	0.07	21%	0.208	C	C	.	.	H	α-helix	trans	-57.3	-49.1	173.2	170.8	-114.1	0	0	0	111.4	V56 F57 Y60 I189 Q195 I196 Y197	V56-F193 HydrophobicContact CG1-CE2 4.11Å; F57-F193 HydrophobicContact CB-CZ 4.01Å; F57-F193 AromaticContact CD2-CE1 3.5Å; F57-F193 HydrophobicContact CD2-CE1 3.5Å; F57-F193 VanDerWaalsContact CD2-CE1 3.5Å; F57-F193 AromaticContact CD2-CZ 3.46Å; F57-F193 HydrophobicContact CD2-CZ 3.46Å; F57-F193 VanDerWaalsContact CD2-CZ 3.46Å; F57-F193 AromaticContact CE2-CE1 3.85Å; F57-F193 HydrophobicContact CE2-CE1 3.85Å; F57-F193 HydrophobicContact CE2-CZ 4.28Å; F57-F193 HydrophobicContact CG-CE1 4.35Å; F57-F193 HydrophobicContact CG-CZ 4.05Å; Y60-F193 VanDerWaalsContact CB-CD2 3.43Å; Y60-F193 HydrophobicContact CD1-CB 3.53Å; Y60-F193 AromaticContact CD1-CD2 3.35Å; Y60-F193 HydrophobicContact CD1-CD2 3.35Å; Y60-F193 HydrophobicContact CD1-CE2 4.33Å; Y60-F193 AromaticContact CD1-CG 3.64Å; Y60-F193 HydrophobicContact CD1-CG 3.64Å; Y60-F193 AromaticContact CD2-CD2 3.49Å; Y60-F193 HydrophobicContact CD2-CD2 3.49Å; Y60-F193 VanDerWaalsContact CD2-CD2 3.49Å; Y60-F193 AromaticContact CD2-CE2 3.73Å; Y60-F193 HydrophobicContact CD2-CE2 3.73Å; Y60-F193 HydrophobicContact CD2-CG 4.5Å; Y60-F193 HydrophobicContact CE1-CB 3.88Å; Y60-F193 AromaticContact CE1-CD2 3.79Å; Y60-F193 HydrophobicContact CE1-CD2 3.79Å; Y60-F193 HydrophobicContact CE1-CG 4.24Å; Y60-F193 AromaticContact CE2-CD2 3.95Å; Y60-F193 HydrophobicContact CE2-CD2 3.95Å; Y60-F193 HydrophobicContact CE2-CE2 4.37Å; Y60-F193 HydrophobicContact CG-CB 4.17Å; Y60-F193 AromaticContact CG-CD2 3.13Å; Y60-F193 HydrophobicContact CG-CD2 3.13Å; Y60-F193 AromaticContact CG-CE2 3.67Å; Y60-F193 HydrophobicContact CG-CE2 3.67Å; Y60-F193 AromaticContact CG-CG 3.74Å; Y60-F193 HydrophobicContact CG-CG 3.74Å; I189-F193 WeakPolarHBondContact O-CB 3.25Å; I189-F193 PolarHBondContact O-N 2.92Å; F193-Q195 VanDerWaalsContact C-N 3.28Å; F193-Q195 PolarHBondContact O-N 3.38Å; F193-I196 PolarHBondContact O-N 2.89Å; F193-I196 VanDerWaalsContact O-N 3.11Å; F193-Y197 HydrophobicContact CE2-CD2 4.34Å; F193-Y197 HydrophobicContact CE2-CG 4.46Å; F193-Y197 HydrophobicContact CZ-CD2 4.01Å; F193-Y197 HydrophobicContact CZ-CG 4.04Å; F193-Y197 WeakPolarHBondContact O-CB 3.28Å; F193-Y197 PolarHBondContact O-N 3.07Å
194	T	90.4	Very high	90.4	Very high	38 Å²	38	43.2 Å²	43.2	23%	0.233	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-40.4	-179	-57.2	0	0	0	0	111.2	P190 F191 T192 Y197 L198 P202 F203	P190-T194 WeakPolarHBondContact O-CB 3.46Å; P190-T194 PolarHBondContact O-N 3.41Å; P190-T194 VanDerWaalsContact O-N 3.07Å; P190-T194 PolarHBondContact O-OG1 2.68Å; F191-T194 PolarHBondContact O-N 3.02Å; T192-T194 VanDerWaalsContact C-N 3.35Å; T192-T194 PolarHBondContact O-N 3.47Å; T194-Y197 PolarHBondContact O-N 3.44Å; T194-L198 HydrophobicContact CG2-CD1 3.61Å; T194-L198 HydrophobicContact CG2-CG 4.14Å; T194-L198 WeakPolarHBondContact O-CB 3.49Å; T194-L198 WeakPolarHBondContact O-CG 3.42Å; T194-L198 PolarHBondContact O-N 3.42Å; T194-P202 HydrophobicContact CG2-CG 3.74Å; T194-F203 HydrophobicContact CG2-CE2 3.91Å; T194-F203 HydrophobicContact CG2-CZ 3.71Å
195	Q	88.6	Confident	90.4	Very high	39 Å²	39	46.2 Å²	46.2	18%	0.182	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-44.7	174.1	177.4	-179.6	-16.9	0	0	112.5	F191 T192 F193 Y197 H199 W201 C302	F191-Q195 PolarHBondContact O-N 3.37Å; F191-Q195 VanDerWaalsContact O-N 3.13Å; T192-Q195 PolarHBondContact O-N 3.1Å; F193-Q195 VanDerWaalsContact C-N 3.28Å; F193-Q195 PolarHBondContact O-N 3.38Å; Q195-Y197 VanDerWaalsContact C-N 3.34Å; Q195-H199 WeakPolarHBondContact O-CA 3.36Å; Q195-H199 PolarHBondContact O-N 3.22Å; Q195-W201 HydrophobicContact CB-CE3 3.95Å; Q195-W201 HydrophobicContact CB-CZ3 4.23Å; Q195-W201 HydrophobicContact CG-CE3 4.17Å; Q195-W201 VanDerWaalsContact OE1-CZ3 3.26Å; Q195-C302 PolarHBondContact NE2-O 3.3Å
196	I	87.1	Confident	90.4	Very high	27 Å²	27	51.9 Å²	51.9	14%	0.138	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-44.5	179.3	-69.7	165.1	0	0	0	110.1	T192 F193 H199 Y410 H414	T192-I196 VanDerWaalsContact O-CG1 3.3Å; T192-I196 WeakPolarHBondContact O-CG1 3.19Å; T192-I196 PolarHBondContact O-N 3.13Å; F193-I196 PolarHBondContact O-N 2.89Å; F193-I196 VanDerWaalsContact O-N 3.11Å; I196-H199 PolarHBondContact O-CE1 2.74Å; I196-H199 PolarHBondContact O-ND1 2.95Å; I196-Y410 HydrophobicContact CD1-CD1 4.34Å; I196-Y410 HydrophobicContact CD1-CE1 3.86Å; I196-Y410 HydrophobicContact CG1-CD1 4.17Å; I196-Y410 HydrophobicContact CG1-CE1 3.78Å; I196-H414 HydrophobicContact CD1-CB 4.1Å
197	Y	86.5	Confident	90.6	Very high	93 Å²	93	50.8 Å²	50.8	37%	0.365	26%	0.258	S	S	.	.	H	α-helix	trans	-70.4	-48.5	-177.2	-176.6	-97.3	0	0	0	113	F57 F193 T194 Q195 H199	F57-Y197 HydrophobicContact CB-CE2 4.44Å; F193-Y197 HydrophobicContact CE2-CD2 4.34Å; F193-Y197 HydrophobicContact CE2-CG 4.46Å; F193-Y197 HydrophobicContact CZ-CD2 4.01Å; F193-Y197 HydrophobicContact CZ-CG 4.04Å; F193-Y197 WeakPolarHBondContact O-CB 3.28Å; F193-Y197 PolarHBondContact O-N 3.07Å; T194-Y197 PolarHBondContact O-N 3.44Å; Q195-Y197 VanDerWaalsContact C-N 3.34Å; Y197-H199 VanDerWaalsContact C-N 3.31Å; Y197-H199 PolarHBondContact O-N 3Å
198	L	86.4	Confident	90.9	Very high	71 Å²	71	46.7 Å²	46.7	37%	0.372	24%	0.24	S	C	.	.	H	α-helix	trans	-80.2	-12.3	-179.1	-64.9	-180	0	0	0	113.5	T194 H200 P202	T194-L198 HydrophobicContact CG2-CD1 3.61Å; T194-L198 HydrophobicContact CG2-CG 4.14Å; T194-L198 WeakPolarHBondContact O-CB 3.49Å; T194-L198 WeakPolarHBondContact O-CG 3.42Å; T194-L198 PolarHBondContact O-N 3.42Å; L198-H200 PolarHBondContact O-CD2 3.41Å; L198-H200 VanDerWaalsContact O-CD2 3.23Å; L198-H200 PolarHBondContact O-N 2.86Å; L198-H200 VanDerWaalsContact O-N 3.09Å; L198-P202 HydrophobicContact CD1-CB 4.1Å; L198-P202 HydrophobicContact CD1-CG 3.86Å
199	H	83.5	Confident	91	Very high	97 Å²	97	47.3 Å²	47.3	45%	0.449	24%	0.244	S	C	.	.	S	Bend	trans	59.6	13.9	-173.5	-52.5	-46.2	0	0	0	115.1	Q195 I196 Y197 L301 R407	Q195-H199 WeakPolarHBondContact O-CA 3.36Å; Q195-H199 PolarHBondContact O-N 3.22Å; I196-H199 PolarHBondContact O-CE1 2.74Å; I196-H199 PolarHBondContact O-ND1 2.95Å; Y197-H199 VanDerWaalsContact C-N 3.31Å; Y197-H199 PolarHBondContact O-N 3Å; H199-L301 WeakPolarHBondContact O-CD2 3.02Å; H199-R407 PolarHBondContact CD2-NH1 3.27Å; H199-R407 PolarHBondContact ND1-NH1 3.05Å
200	H	86.7	Confident	91.1	Very high	56 Å²	56	50 Å²	50	26%	0.259	26%	0.258	S	S	.	.	S	Bend	trans	-145.5	165.7	171.5	72.4	86.5	0	0	0	109.3	L198 P202 R299 K300	L198-H200 PolarHBondContact O-CD2 3.41Å; L198-H200 VanDerWaalsContact O-CD2 3.23Å; L198-H200 PolarHBondContact O-N 2.86Å; L198-H200 VanDerWaalsContact O-N 3.09Å; H200-P202 WeakPolarHBondContact O-CD 3.43Å; H200-R299 HydrophobicContact CB-CB 4.41Å; H200-K300 CarbonylContact C-O 3.49Å; H200-K300 WeakPolarHBondContact CA-O 3.31Å; H200-K300 WeakPolarHBondContact CB-O 3.4Å
201	W	90.7	Very high	91.2	Very high	6 Å²	6	48.7 Å²	48.7	2%	0.023	25%	0.249	C	C	.	.			trans	-90.2	103.9	174.5	-173.8	-102.2	0	0	0	109.3	F191 Q195 F203 P204 M207 C208 V211 T279 K300 C302	F191-W201 HydrophobicContact CB-CH2 4.23Å; Q195-W201 HydrophobicContact CB-CE3 3.95Å; Q195-W201 HydrophobicContact CB-CZ3 4.23Å; Q195-W201 HydrophobicContact CG-CE3 4.17Å; Q195-W201 VanDerWaalsContact OE1-CZ3 3.26Å; W201-F203 VanDerWaalsContact C-N 3.34Å; W201-F203 HydrophobicContact CD2-CB 4.49Å; W201-F203 HydrophobicContact CD2-CD2 4.09Å; W201-F203 AromaticContact CE2-CD2 3.91Å; W201-F203 HydrophobicContact CE3-CD2 4.15Å; W201-F203 AromaticContact CH2-CD2 3.91Å; W201-F203 HydrophobicContact CH2-CD2 3.91Å; W201-F203 HydrophobicContact CZ2-CB 3.83Å; W201-F203 AromaticContact CZ2-CD2 3.8Å; W201-F203 HydrophobicContact CZ2-CD2 3.8Å; W201-F203 HydrophobicContact CZ2-CG 4.23Å; W201-F203 HydrophobicContact CZ3-CD2 4.08Å; W201-F203 PolarHBondContact NE1-O 3.3Å; W201-F203 VanDerWaalsContact NE1-O 3.14Å; W201-P204 PolarHBondContact NE1-O 2.86Å; W201-M207 VanDerWaalsContact CZ2-C 3.49Å; W201-M207 HydrophobicContact CZ2-CB 3.71Å; W201-C208 HydrophobicContact CD2-CB 4.36Å; W201-C208 VanDerWaalsContact CZ2-CA 3.44Å; W201-C208 HydrophobicContact CZ2-CB 3.98Å; W201-C208 VanDerWaalsContact CZ2-N 3.31Å; W201-V211 HydrophobicContact CH2-CB 4.16Å; W201-V211 HydrophobicContact CH2-CG1 4.46Å; W201-V211 HydrophobicContact CH2-CG2 4.08Å; W201-T279 HydrophobicContact CG-CG2 4.24Å; W201-K300 HydrophobicContact CB-CB 4.43Å; W201-K300 PolarHBondContact N-O 3.27Å; W201-C302 HydrophobicContact CB-CB 4.13Å; W201-C302 HydrophobicContact CD2-CB 3.62Å; W201-C302 HydrophobicContact CE3-CB 3.51Å; W201-C302 HydrophobicContact CG-CB 3.91Å; W201-C302 HydrophobicContact CZ3-CB 4.14Å
202	P	90.9	Very high	91.2	Very high	59 Å²	59	48.2 Å²	48.2	38%	0.383	25%	0.25	S	S	.	.			trans	-83.5	-10.3	-179.3	36.5	-40.5	0	0	0	113.2	T194 L198 H200	T194-P202 HydrophobicContact CG2-CG 3.74Å; L198-P202 HydrophobicContact CD1-CB 4.1Å; L198-P202 HydrophobicContact CD1-CG 3.86Å; H200-P202 WeakPolarHBondContact O-CD 3.43Å
203	F	93.2	Very high	91.4	Very high	50 Å²	50	49.5 Å²	49.5	22%	0.219	26%	0.255	C	S	.	.	S	Bend	trans	-87.7	165.7	-173.6	-51.5	-74.5	0	0	0	111.7	F191 T194 W201 M207	F191-F203 HydrophobicContact CB-CE2 4.27Å; F191-F203 AromaticContact CD1-CD1 3.87Å; F191-F203 HydrophobicContact CD1-CD1 3.87Å; F191-F203 AromaticContact CD1-CD2 3.85Å; F191-F203 HydrophobicContact CD1-CD2 3.85Å; F191-F203 AromaticContact CD1-CE1 3.64Å; F191-F203 HydrophobicContact CD1-CE1 3.64Å; F191-F203 AromaticContact CD1-CE2 3.62Å; F191-F203 HydrophobicContact CD1-CE2 3.62Å; F191-F203 AromaticContact CD1-CG 3.97Å; F191-F203 HydrophobicContact CD1-CG 3.97Å; F191-F203 AromaticContact CD1-CZ 3.51Å; F191-F203 HydrophobicContact CD1-CZ 3.51Å; F191-F203 AromaticContact CE1-CD1 3.89Å; F191-F203 HydrophobicContact CE1-CD1 3.89Å; F191-F203 AromaticContact CE1-CE1 3.75Å; F191-F203 HydrophobicContact CE1-CE1 3.75Å; F191-F203 HydrophobicContact CE1-CG 4.34Å; F191-F203 HydrophobicContact CE1-CZ 4.1Å; F191-F203 HydrophobicContact CG-CE2 4.43Å; T194-F203 HydrophobicContact CG2-CE2 3.91Å; T194-F203 HydrophobicContact CG2-CZ 3.71Å; W201-F203 VanDerWaalsContact C-N 3.34Å; W201-F203 HydrophobicContact CD2-CB 4.49Å; W201-F203 HydrophobicContact CD2-CD2 4.09Å; W201-F203 AromaticContact CE2-CD2 3.91Å; W201-F203 HydrophobicContact CE3-CD2 4.15Å; W201-F203 AromaticContact CH2-CD2 3.91Å; W201-F203 HydrophobicContact CH2-CD2 3.91Å; W201-F203 HydrophobicContact CZ2-CB 3.83Å; W201-F203 AromaticContact CZ2-CD2 3.8Å; W201-F203 HydrophobicContact CZ2-CD2 3.8Å; W201-F203 HydrophobicContact CZ2-CG 4.23Å; W201-F203 HydrophobicContact CZ3-CD2 4.08Å; W201-F203 PolarHBondContact NE1-O 3.3Å; W201-F203 VanDerWaalsContact NE1-O 3.14Å; F203-M207 HydrophobicContact CB-CB 4.12Å; F203-M207 HydrophobicContact CB-CG 4.48Å
204	P	93.8	Very high	91.7	Very high	90 Å²	90	50.1 Å²	50.1	58%	0.584	26%	0.26	S	S	*	.			trans	-53.7	150.9	173.1	-27.4	36.1	0	0	0	112.7	W201 L206 M207	W201-P204 PolarHBondContact NE1-O 2.86Å; P204-L206 PolarHBondContact O-N 3.4Å; P204-L206 VanDerWaalsContact O-N 3.15Å; P204-M207 WeakPolarHBondContact O-CB 3.43Å; P204-M207 PolarHBondContact O-N 2.98Å
205	D	93	Very high	91.9	Very high	68 Å²	68	50 Å²	50	36%	0.364	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.5	-175.5	-66.2	-38.5	0	0	0	112.6	M207 C208 P209 T279 K300	D205-M207 VanDerWaalsContact C-N 3.32Å; D205-M207 PolarHBondContact O-N 3.48Å; D205-C208 PolarHBondContact O-N 3.36Å; D205-P209 WeakPolarHBondContact O-CD 3.23Å; D205-T279 HydrophobicContact CB-CG2 4.25Å; D205-T279 WeakPolarHBondContact CB-OG1 3.47Å; D205-T279 WeakPolarHBondContact OD1-CB 3.46Å; D205-T279 PolarHBondContact OD1-OG1 3.09Å; D205-K300 VanDerWaalsContact OD1-CD 3.28Å; D205-K300 WeakPolarHBondContact OD1-CD 3.26Å; D205-K300 IonicContact OD1-NZ 2.72Å; D205-K300 PolarHBondContact OD1-NZ 3Å; D205-K300 IonicContact OD2-NZ 3.3Å; D205-K300 PolarHBondContact OD2-NZ 2.76Å
206	L	94.6	Very high	92.2	Very high	120 Å²	120	49 Å²	49	63%	0.628	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-30.9	177	-176.3	66.7	0	0	0	113.4	P204 C208 P209 I210	P204-L206 PolarHBondContact O-N 3.4Å; P204-L206 VanDerWaalsContact O-N 3.15Å; L206-C208 VanDerWaalsContact C-N 3.28Å; L206-C208 PolarHBondContact O-N 3.45Å; L206-P209 WeakPolarHBondContact O-CD 3.42Å; L206-P209 WeakPolarHBondContact O-CG 3.17Å; L206-I210 HydrophobicContact CD1-CD1 4.19Å; L206-I210 HydrophobicContact CD2-CD1 4.28Å; L206-I210 HydrophobicContact CG-CD1 3.76Å; L206-I210 WeakPolarHBondContact O-CD1 3.31Å; L206-I210 WeakPolarHBondContact O-CG1 3.34Å
207	M	94.3	Very high	92.7	Very high	60 Å²	60	47.8 Å²	47.8	30%	0.296	25%	0.246	S	C	.	.	H	α-helix	trans	-70.2	-27.1	-177.2	-73	-69.3	110.3	0	0	112	W201 F203 P204 D205 I210 V211	W201-M207 VanDerWaalsContact CZ2-C 3.49Å; W201-M207 HydrophobicContact CZ2-CB 3.71Å; F203-M207 HydrophobicContact CB-CB 4.12Å; F203-M207 HydrophobicContact CB-CG 4.48Å; P204-M207 WeakPolarHBondContact O-CB 3.43Å; P204-M207 PolarHBondContact O-N 2.98Å; D205-M207 VanDerWaalsContact C-N 3.32Å; D205-M207 PolarHBondContact O-N 3.48Å; M207-I210 HydrophobicContact CE-CD1 3.83Å; M207-I210 PolarHBondContact O-N 2.92Å; M207-V211 WeakPolarHBondContact O-CB 3.5Å; M207-V211 VanDerWaalsContact O-CG2 3.26Å; M207-V211 WeakPolarHBondContact O-CG2 3.49Å; M207-V211 PolarHBondContact O-N 3.33Å
208	C	94.3	Very high	93.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.3	-60.6	-177.8	168.7	0	0	0	0	112.9	W201 D205 L206 I210 V211 V212 T277 R278 T279 C302	W201-C208 HydrophobicContact CD2-CB 4.36Å; W201-C208 VanDerWaalsContact CZ2-CA 3.44Å; W201-C208 HydrophobicContact CZ2-CB 3.98Å; W201-C208 VanDerWaalsContact CZ2-N 3.31Å; D205-C208 PolarHBondContact O-N 3.36Å; L206-C208 VanDerWaalsContact C-N 3.28Å; L206-C208 PolarHBondContact O-N 3.45Å; C208-I210 VanDerWaalsContact C-N 3.26Å; C208-I210 PolarHBondContact O-N 2.91Å; C208-V211 PolarHBondContact O-N 2.93Å; C208-V212 PolarHBondContact O-N 2.85Å; C208-T277 WeakPolarHBondContact SG-CG2 3.47Å; C208-R278 VanDerWaalsContact SG-C 3.59Å; C208-T279 HydrophobicContact CB-CG2 3.44Å; C208-T279 VanDerWaalsContact CB-CG2 3.44Å; C208-C302 WeakPolarHBondContact CA-SG 3.32Å; C208-C302 HydrophobicContact CB-CB 3.77Å; C208-C302 WeakPolarHBondContact CB-SG 3.49Å; C208-C302 WeakPolarHBondContact SG-CA 3.37Å; C208-C302 WeakPolarHBondContact SG-CB 3.42Å; C208-C302 CovalentContact SG-SG 2.02Å; C208-C302 PolarHBondContact SG-SG 2.71Å
209	P	95.3	Very high	93.7	Very high	13 Å²	13	40.7 Å²	40.7	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-33.1	176.4	22.2	-31.9	0	0	0	112.7	D205 L206 Y213 L274	D205-P209 WeakPolarHBondContact O-CD 3.23Å; L206-P209 WeakPolarHBondContact O-CD 3.42Å; L206-P209 WeakPolarHBondContact O-CG 3.17Å; P209-Y213 WeakPolarHBondContact O-CB 3.5Å; P209-Y213 PolarHBondContact O-N 2.86Å; P209-L274 HydrophobicContact CB-CD2 4.49Å
210	I	95.3	Very high	94.3	Very high	58 Å²	58	36.7 Å²	36.7	30%	0.297	20%	0.197	S	C	.	.	H	α-helix	trans	-66.2	-46.9	-179.1	-68.7	175.1	0	0	0	111.3	L206 M207 C208 Y213 V214	L206-I210 HydrophobicContact CD1-CD1 4.19Å; L206-I210 HydrophobicContact CD2-CD1 4.28Å; L206-I210 HydrophobicContact CG-CD1 3.76Å; L206-I210 WeakPolarHBondContact O-CD1 3.31Å; L206-I210 WeakPolarHBondContact O-CG1 3.34Å; M207-I210 HydrophobicContact CE-CD1 3.83Å; M207-I210 PolarHBondContact O-N 2.92Å; C208-I210 VanDerWaalsContact C-N 3.26Å; C208-I210 PolarHBondContact O-N 2.91Å; I210-Y213 PolarHBondContact O-N 3.22Å; I210-V214 HydrophobicContact CG2-CG2 4.28Å; I210-V214 WeakPolarHBondContact O-CB 3.46Å; I210-V214 VanDerWaalsContact O-CG2 3.26Å; I210-V214 WeakPolarHBondContact O-CG2 3.43Å; I210-V214 PolarHBondContact O-N 2.97Å
211	V	94.6	Very high	94.8	Very high	6 Å²	6	34 Å²	34	4%	0.036	19%	0.185	C	C	.	.	H	α-helix	trans	-63.8	-46.8	-178.6	168.8	0	0	0	0	110.6	F191 T192 W201 M207 C208 Y213 V214 Q215	F191-V211 HydrophobicContact CB-CB 4.39Å; F191-V211 HydrophobicContact CB-CG1 3.79Å; F191-V211 HydrophobicContact CB-CG2 3.74Å; F191-V211 HydrophobicContact CD2-CG2 3.54Å; F191-V211 HydrophobicContact CE2-CG2 4.39Å; F191-V211 HydrophobicContact CG-CG2 3.69Å; T192-V211 HydrophobicContact CG2-CG1 4.02Å; W201-V211 HydrophobicContact CH2-CB 4.16Å; W201-V211 HydrophobicContact CH2-CG1 4.46Å; W201-V211 HydrophobicContact CH2-CG2 4.08Å; M207-V211 WeakPolarHBondContact O-CB 3.5Å; M207-V211 VanDerWaalsContact O-CG2 3.26Å; M207-V211 WeakPolarHBondContact O-CG2 3.49Å; M207-V211 PolarHBondContact O-N 3.33Å; C208-V211 PolarHBondContact O-N 2.93Å; V211-Y213 PolarHBondContact O-N 3.28Å; V211-V214 PolarHBondContact O-N 2.84Å; V211-Q215 WeakPolarHBondContact O-CB 3.48Å; V211-Q215 PolarHBondContact O-N 2.92Å
212	V	93.9	Very high	95.1	Very high	37 Å²	37	33.8 Å²	33.8	22%	0.224	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-39.8	178.5	179.9	0	0	0	0	111.3	C208 Q215 L216 Q273 T277	C208-V212 PolarHBondContact O-N 2.85Å; V212-Q215 PolarHBondContact O-N 3.48Å; V212-L216 PolarHBondContact O-N 3.45Å; V212-Q273 HydrophobicContact CG1-CB 4.35Å; V212-Q273 HydrophobicContact CG1-CG 4.07Å; V212-T277 HydrophobicContact CB-CG2 4.14Å; V212-T277 HydrophobicContact CG2-CG2 3.9Å
213	Y	95.9	Very high	95.4	Very high	36 Å²	36	31 Å²	31	14%	0.141	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-52.9	173.3	171.5	-107.9	0	0	0	112.4	P209 I210 V211 Q215 L216 V217 F267 S270 L274	P209-Y213 WeakPolarHBondContact O-CB 3.5Å; P209-Y213 PolarHBondContact O-N 2.86Å; I210-Y213 PolarHBondContact O-N 3.22Å; V211-Y213 PolarHBondContact O-N 3.28Å; Y213-Q215 VanDerWaalsContact C-N 3.29Å; Y213-Q215 PolarHBondContact O-N 3.4Å; Y213-L216 PolarHBondContact O-N 3.16Å; Y213-L216 VanDerWaalsContact O-N 3.13Å; Y213-V217 HydrophobicContact CD1-CG2 4.33Å; Y213-V217 HydrophobicContact CD2-CG2 4.19Å; Y213-V217 HydrophobicContact CE1-CG2 3.93Å; Y213-V217 HydrophobicContact CE2-CG2 3.78Å; Y213-V217 HydrophobicContact CG-CG2 4.46Å; Y213-V217 WeakPolarHBondContact O-CG2 3.39Å; Y213-V217 PolarHBondContact O-N 3.27Å; Y213-F267 HydrophobicContact CE1-CD1 4.44Å; Y213-F267 WeakPolarHBondContact OH-CD1 3.3Å; Y213-F267 PolarHBondContact OH-O 3.48Å; Y213-S270 VanDerWaalsContact CD2-O 3.28Å; Y213-S270 WeakPolarHBondContact CD2-O 3.42Å; Y213-L274 HydrophobicContact CD1-CD1 4.22Å; Y213-L274 HydrophobicContact CD1-CD2 3.97Å; Y213-L274 HydrophobicContact CD1-CG 4.16Å; Y213-L274 HydrophobicContact CD2-CD1 3.92Å; Y213-L274 HydrophobicContact CD2-CD2 4.2Å; Y213-L274 HydrophobicContact CD2-CG 3.61Å; Y213-L274 HydrophobicContact CE1-CD1 4.23Å; Y213-L274 HydrophobicContact CE2-CD1 3.93Å; Y213-L274 HydrophobicContact CE2-CG 4.15Å; Y213-L274 HydrophobicContact CG-CD1 4.05Å; Y213-L274 HydrophobicContact CG-CD2 3.65Å; Y213-L274 HydrophobicContact CG-CG 3.6Å
214	V	95.8	Very high	95.6	Very high	29 Å²	29	30.6 Å²	30.6	18%	0.176	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-42.6	-179.5	170.9	0	0	0	0	110.2	F187 I210 V211 L216 V217 M218	F187-V214 HydrophobicContact CB-CG1 4.47Å; I210-V214 HydrophobicContact CG2-CG2 4.28Å; I210-V214 WeakPolarHBondContact O-CB 3.46Å; I210-V214 VanDerWaalsContact O-CG2 3.26Å; I210-V214 WeakPolarHBondContact O-CG2 3.43Å; I210-V214 PolarHBondContact O-N 2.97Å; V211-V214 PolarHBondContact O-N 2.84Å; V214-L216 VanDerWaalsContact C-N 3.33Å; V214-L216 PolarHBondContact O-N 3.36Å; V214-V217 PolarHBondContact O-N 3.08Å; V214-M218 HydrophobicContact CG1-CE 3.95Å; V214-M218 HydrophobicContact CG1-CG 4.22Å; V214-M218 VanDerWaalsContact O-CG 3.28Å; V214-M218 WeakPolarHBondContact O-CG 3.26Å; V214-M218 PolarHBondContact O-N 3.22Å
215	Q	95.4	Very high	95.8	Very high	36 Å²	36	26.3 Å²	26.3	17%	0.168	14%	0.138	C	C	.	.	H	α-helix	trans	-56.3	-47.5	175	176.8	168.8	-39.4	0	0	111.9	M184 C188 V211 V212 Y213 M218 V219 M418	M184-Q215 HydrophobicContact CE-CG 4.15Å; M184-Q215 HydrophobicContact SD-CG 4.28Å; C188-Q215 HydrophobicContact CB-CB 4.16Å; C188-Q215 HydrophobicContact CB-CG 4.45Å; C188-Q215 WeakPolarHBondContact SG-CA 3.42Å; V211-Q215 WeakPolarHBondContact O-CB 3.48Å; V211-Q215 PolarHBondContact O-N 2.92Å; V212-Q215 PolarHBondContact O-N 3.48Å; Y213-Q215 VanDerWaalsContact C-N 3.29Å; Y213-Q215 PolarHBondContact O-N 3.4Å; Q215-M218 PolarHBondContact O-N 3Å; Q215-V219 WeakPolarHBondContact O-CG1 3.18Å; Q215-V219 PolarHBondContact O-N 2.93Å; Q215-V219 VanDerWaalsContact O-N 3.07Å; Q215-M418 VanDerWaalsContact CD-CE 3.47Å; Q215-M418 HydrophobicContact CG-CE 4.26Å; Q215-M418 VanDerWaalsContact OE1-CE 3.25Å
216	L	95.7	Very high	95.9	Very high	18 Å²	18	23.3 Å²	23.3	9%	0.094	12%	0.122	C	C	.	.	H	α-helix	trans	-65.6	-39.2	179.1	-169	62.4	0	0	0	112.3	V212 Y213 V214 V219 T220 Q273 Y316 L320 I324	V212-L216 PolarHBondContact O-N 3.45Å; Y213-L216 PolarHBondContact O-N 3.16Å; Y213-L216 VanDerWaalsContact O-N 3.13Å; V214-L216 VanDerWaalsContact C-N 3.33Å; V214-L216 PolarHBondContact O-N 3.36Å; L216-V219 HydrophobicContact CD1-CG1 4.08Å; L216-V219 VanDerWaalsContact O-CG1 3.25Å; L216-V219 WeakPolarHBondContact O-CG1 3.46Å; L216-T220 VanDerWaalsContact O-CB 3.28Å; L216-T220 WeakPolarHBondContact O-CB 3.4Å; L216-T220 PolarHBondContact O-N 2.96Å; L216-T220 PolarHBondContact O-OG1 3.44Å; L216-Q273 HydrophobicContact CB-CG 4.3Å; L216-Q273 HydrophobicContact CD2-CG 3.43Å; L216-Q273 VanDerWaalsContact CD2-CG 3.43Å; L216-Q273 HydrophobicContact CG-CG 4.49Å; L216-Y316 VanDerWaalsContact CD2-OH 3.27Å; L216-Y316 WeakPolarHBondContact CD2-OH 3.4Å; L216-L320 HydrophobicContact CD1-CD1 4.18Å; L216-L320 HydrophobicContact CD1-CD2 4.28Å; L216-L320 HydrophobicContact CD2-CD1 4.31Å; L216-L320 HydrophobicContact CD2-CD2 4.08Å; L216-I324 HydrophobicContact CD1-CD1 3.41Å; L216-I324 VanDerWaalsContact CD1-CD1 3.41Å; L216-I324 HydrophobicContact CG-CD1 4.23Å
217	V	97.5	Very high	96	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.1	-48.3	174.8	171.7	0	0	0	0	110.6	Y213 V214 T220 A221 W263 F267 S270	Y213-V217 HydrophobicContact CD1-CG2 4.33Å; Y213-V217 HydrophobicContact CD2-CG2 4.19Å; Y213-V217 HydrophobicContact CE1-CG2 3.93Å; Y213-V217 HydrophobicContact CE2-CG2 3.78Å; Y213-V217 HydrophobicContact CG-CG2 4.46Å; Y213-V217 WeakPolarHBondContact O-CG2 3.39Å; Y213-V217 PolarHBondContact O-N 3.27Å; V214-V217 PolarHBondContact O-N 3.08Å; V217-T220 PolarHBondContact O-N 3.32Å; V217-A221 VanDerWaalsContact O-CB 3.3Å; V217-A221 WeakPolarHBondContact O-CB 3.32Å; V217-A221 PolarHBondContact O-N 2.86Å; V217-W263 HydrophobicContact CG1-CE3 4.48Å; V217-W263 HydrophobicContact CG1-CZ3 4.32Å; V217-F267 HydrophobicContact CB-CD1 4.48Å; V217-F267 HydrophobicContact CG1-CD1 3.72Å; V217-F267 HydrophobicContact CG1-CE1 3.7Å; V217-F267 HydrophobicContact CG1-CG 4.3Å; V217-F267 HydrophobicContact CG1-CZ 4.25Å; V217-F267 HydrophobicContact CG2-CD1 3.9Å; V217-F267 HydrophobicContact CG2-CE1 4.41Å; V217-S270 WeakPolarHBondContact CA-OG 3.29Å; V217-S270 PolarHBondContact N-OG 3.39Å
218	M	97	Very high	96.1	Very high	8 Å²	8	16.7 Å²	16.7	4%	0.039	9%	0.09	C	C	.	.	H	α-helix	trans	-69	-40.5	-174.9	-64.1	-48.6	144.4	0	0	112.6	F183 M184 V214 Q215 S222 W263	F183-M218 HydrophobicContact CB-CE 3.87Å; F183-M218 HydrophobicContact CB-CG 3.89Å; F183-M218 HydrophobicContact CB-SD 3.63Å; F183-M218 HydrophobicContact CD1-CE 4.17Å; F183-M218 HydrophobicContact CG-CE 4.11Å; F183-M218 HydrophobicContact CG-SD 4.3Å; M184-M218 HydrophobicContact CG-CB 3.58Å; M184-M218 HydrophobicContact CG-CG 4.24Å; M184-M218 HydrophobicContact SD-CB 3.54Å; M184-M218 VanDerWaalsContact SD-CB 3.54Å; M184-M218 HydrophobicContact SD-CG 4.26Å; V214-M218 HydrophobicContact CG1-CE 3.95Å; V214-M218 HydrophobicContact CG1-CG 4.22Å; V214-M218 VanDerWaalsContact O-CG 3.28Å; V214-M218 WeakPolarHBondContact O-CG 3.26Å; V214-M218 PolarHBondContact O-N 3.22Å; Q215-M218 PolarHBondContact O-N 3Å; M218-S222 WeakPolarHBondContact O-CB 3.05Å; M218-S222 PolarHBondContact O-N 2.84Å; M218-S222 PolarHBondContact O-OG 2.9Å; M218-W263 HydrophobicContact CE-CH2 4.43Å; M218-W263 HydrophobicContact CE-CZ3 3.98Å; M218-W263 HydrophobicContact SD-CH2 3.77Å; M218-W263 HydrophobicContact SD-CZ3 3.77Å
219	V	95.8	Very high	96.1	Very high	7 Å²	7	16.8 Å²	16.8	4%	0.042	9%	0.09	C	C	.	.	H	α-helix	trans	-65.2	-41.3	174.1	64	0	0	0	0	111.4	Q215 L216 S222 S223 I324 F378 W382	Q215-V219 WeakPolarHBondContact O-CG1 3.18Å; Q215-V219 PolarHBondContact O-N 2.93Å; Q215-V219 VanDerWaalsContact O-N 3.07Å; L216-V219 HydrophobicContact CD1-CG1 4.08Å; L216-V219 VanDerWaalsContact O-CG1 3.25Å; L216-V219 WeakPolarHBondContact O-CG1 3.46Å; V219-S222 PolarHBondContact O-N 3.33Å; V219-S223 WeakPolarHBondContact O-CB 3.21Å; V219-S223 PolarHBondContact O-N 3.43Å; V219-I324 HydrophobicContact CG1-CG2 4.29Å; V219-I324 HydrophobicContact CG2-CG2 4.1Å; V219-F378 HydrophobicContact CG2-CE2 4.36Å; V219-F378 HydrophobicContact CG2-CZ 4.48Å; V219-W382 HydrophobicContact CB-CH2 3.54Å; V219-W382 HydrophobicContact CB-CZ2 3.67Å; V219-W382 HydrophobicContact CB-CZ3 4.13Å; V219-W382 HydrophobicContact CG1-CH2 4.24Å; V219-W382 HydrophobicContact CG1-CZ3 4.49Å; V219-W382 HydrophobicContact CG2-CD2 3.81Å; V219-W382 VanDerWaalsContact CG2-CE2 3.5Å; V219-W382 HydrophobicContact CG2-CE3 3.9Å; V219-W382 HydrophobicContact CG2-CH2 3.44Å; V219-W382 VanDerWaalsContact CG2-CH2 3.44Å; V219-W382 HydrophobicContact CG2-CZ2 3.32Å; V219-W382 HydrophobicContact CG2-CZ3 3.72Å
220	T	97	Very high	96	Very high	13 Å²	13	16.1 Å²	16.1	8%	0.08	9%	0.086	C	C	.	.	H	α-helix	trans	-63.7	-47	178.2	-55.4	0	0	0	0	110.9	L216 V217 S222 S223 L224 I324	L216-T220 VanDerWaalsContact O-CB 3.28Å; L216-T220 WeakPolarHBondContact O-CB 3.4Å; L216-T220 PolarHBondContact O-N 2.96Å; L216-T220 PolarHBondContact O-OG1 3.44Å; V217-T220 PolarHBondContact O-N 3.32Å; T220-S222 VanDerWaalsContact C-N 3.3Å; T220-S222 PolarHBondContact O-N 3.47Å; T220-S223 PolarHBondContact O-N 3.29Å; T220-L224 HydrophobicContact CG2-CD1 3.89Å; T220-L224 HydrophobicContact CG2-CG 4.3Å; T220-L224 WeakPolarHBondContact O-CB 3.3Å; T220-L224 VanDerWaalsContact O-CG 3.31Å; T220-L224 WeakPolarHBondContact O-CG 3.5Å; T220-L224 PolarHBondContact O-N 3.32Å; T220-I324 HydrophobicContact CG2-CG1 4.49Å; T220-I324 WeakPolarHBondContact OG1-CD1 3.42Å
221	A	97.7	Very high	96	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.5	-40.5	177.3	0	0	0	0	0	111.5	V217 T225 I262 W263 S266	V217-A221 VanDerWaalsContact O-CB 3.3Å; V217-A221 WeakPolarHBondContact O-CB 3.32Å; V217-A221 PolarHBondContact O-N 2.86Å; A221-T225 WeakPolarHBondContact O-CB 3.44Å; A221-T225 PolarHBondContact O-N 3.49Å; A221-T225 PolarHBondContact O-OG1 2.98Å; A221-I262 HydrophobicContact CB-CG2 4.43Å; A221-W263 HydrophobicContact CB-CD2 4.36Å; A221-W263 HydrophobicContact CB-CE3 4.22Å; A221-W263 HydrophobicContact CB-CH2 4.25Å; A221-W263 HydrophobicContact CB-CZ2 4.37Å; A221-W263 HydrophobicContact CB-CZ3 4.17Å; A221-S266 VanDerWaalsContact CA-OG 3.25Å; A221-S266 WeakPolarHBondContact CA-OG 3.2Å; A221-S266 PolarHBondContact N-OG 3.33Å; A221-S266 VanDerWaalsContact N-OG 3.15Å
222	S	96.8	Very high	95.7	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.007	10%	0.097	C	C	.	.	H	α-helix	trans	-64.8	-49	176.7	-56.6	0	0	0	0	111.8	S180 M218 V219 T220 T225 N226	S180-S222 VanDerWaalsContact CB-OG 3.26Å; S180-S222 WeakPolarHBondContact CB-OG 3.36Å; S180-S222 PolarHBondContact OG-OG 3.34Å; M218-S222 WeakPolarHBondContact O-CB 3.05Å; M218-S222 PolarHBondContact O-N 2.84Å; M218-S222 PolarHBondContact O-OG 2.9Å; V219-S222 PolarHBondContact O-N 3.33Å; T220-S222 VanDerWaalsContact C-N 3.3Å; T220-S222 PolarHBondContact O-N 3.47Å; S222-T225 PolarHBondContact O-N 2.8Å; S222-N226 PolarHBondContact O-N 3.06Å; S222-N226 PolarHBondContact O-ND2 2.96Å
223	S	97	Very high	95.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.4	-47.4	179.9	-172.5	0	0	0	0	112.2	V219 T220 N226 T227 I324 P328	V219-S223 WeakPolarHBondContact O-CB 3.21Å; V219-S223 PolarHBondContact O-N 3.43Å; T220-S223 PolarHBondContact O-N 3.29Å; S223-N226 PolarHBondContact O-N 2.89Å; S223-T227 PolarHBondContact O-N 3.44Å; S223-T227 PolarHBondContact O-OG1 3.26Å; S223-I324 WeakPolarHBondContact CB-O 3.36Å; S223-I324 PolarHBondContact OG-O 3.07Å; S223-P328 WeakPolarHBondContact OG-CB 3.3Å; S223-P328 WeakPolarHBondContact OG-CG 3.18Å
224	L	97.3	Very high	95.3	Very high	42 Å²	42	16.7 Å²	16.7	22%	0.22	9%	0.089	C	C	.	.	H	α-helix	trans	-67.5	-38.7	177.6	-67.2	179.6	0	0	0	111.8	T220 T227 V228 I262 I265	T220-L224 HydrophobicContact CG2-CD1 3.89Å; T220-L224 HydrophobicContact CG2-CG 4.3Å; T220-L224 WeakPolarHBondContact O-CB 3.3Å; T220-L224 VanDerWaalsContact O-CG 3.31Å; T220-L224 WeakPolarHBondContact O-CG 3.5Å; T220-L224 PolarHBondContact O-N 3.32Å; L224-T227 WeakPolarHBondContact O-CB 3.3Å; L224-T227 PolarHBondContact O-N 3.22Å; L224-V228 WeakPolarHBondContact O-CG2 3.49Å; L224-V228 PolarHBondContact O-N 3.23Å; L224-I262 HydrophobicContact CB-CG1 4.23Å; L224-I262 HydrophobicContact CB-CG2 3.75Å; L224-I262 HydrophobicContact CD1-CG2 4.36Å; L224-I265 HydrophobicContact CD1-CB 4.29Å; L224-I265 HydrophobicContact CD1-CG2 3.83Å
225	T	97.1	Very high	94.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.7	-45.1	174.5	-61.6	0	0	0	0	111.2	Y173 L177 A221 S222 T227 V228 I229	Y173-T225 WeakPolarHBondContact O-CG2 3.33Å; L177-T225 HydrophobicContact CB-CG2 4.07Å; A221-T225 WeakPolarHBondContact O-CB 3.44Å; A221-T225 PolarHBondContact O-N 3.49Å; A221-T225 PolarHBondContact O-OG1 2.98Å; S222-T225 PolarHBondContact O-N 2.8Å; T225-T227 VanDerWaalsContact C-N 3.32Å; T225-T227 PolarHBondContact O-N 3.18Å; T225-V228 PolarHBondContact O-N 3.09Å; T225-I229 HydrophobicContact CG2-CD1 3.99Å; T225-I229 HydrophobicContact CG2-CG1 4.45Å; T225-I229 VanDerWaalsContact O-CG1 3.26Å; T225-I229 WeakPolarHBondContact O-CG1 3.38Å; T225-I229 PolarHBondContact O-N 3.46Å
226	N	95.7	Very high	94.1	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.027	11%	0.108	C	C	.	.	H	α-helix	trans	-61.9	-40.3	175.8	-76.2	-27.7	0	0	0	112.3	L177 S222 S223 I229 S230	L177-N226 WeakPolarHBondContact CD2-OD1 3.26Å; S222-N226 PolarHBondContact O-N 3.06Å; S222-N226 PolarHBondContact O-ND2 2.96Å; S223-N226 PolarHBondContact O-N 2.89Å; N226-I229 PolarHBondContact O-N 2.77Å; N226-S230 WeakPolarHBondContact O-CB 3.48Å; N226-S230 PolarHBondContact O-N 2.88Å
227	T	97.2	Very high	93.4	Very high	12 Å²	12	20.7 Å²	20.7	7%	0.074	11%	0.113	C	C	.	.	H	α-helix	trans	-60.6	-49.3	175	-57.9	0	0	0	0	111.1	S223 L224 T225 I229 S230 L231 P328 I331 Q332	S223-T227 PolarHBondContact O-N 3.44Å; S223-T227 PolarHBondContact O-OG1 3.26Å; L224-T227 WeakPolarHBondContact O-CB 3.3Å; L224-T227 PolarHBondContact O-N 3.22Å; T225-T227 VanDerWaalsContact C-N 3.32Å; T225-T227 PolarHBondContact O-N 3.18Å; T227-I229 PolarHBondContact O-N 3.13Å; T227-S230 WeakPolarHBondContact O-CB 3.39Å; T227-S230 PolarHBondContact O-N 3.46Å; T227-S230 VanDerWaalsContact O-N 3.16Å; T227-S230 PolarHBondContact O-OG 3.37Å; T227-L231 HydrophobicContact CG2-CD1 4.22Å; T227-L231 WeakPolarHBondContact O-CG 3.22Å; T227-L231 PolarHBondContact O-N 3.44Å; T227-P328 WeakPolarHBondContact OG1-CB 3.45Å; T227-I331 HydrophobicContact CG2-CB 4.12Å; T227-I331 HydrophobicContact CG2-CD1 4.08Å; T227-I331 HydrophobicContact CG2-CG2 3.74Å; T227-Q332 PolarHBondContact OG1-NE2 2.86Å
228	V	95.8	Very high	92.6	Very high	30 Å²	30	24.3 Å²	24.3	18%	0.182	13%	0.131	C	C	.	.	H	α-helix	trans	-63.5	-39.4	176.8	167.1	0	0	0	0	112	Y173 L224 T225 S230 L231 N232 I258 I262	Y173-V228 HydrophobicContact CD1-CG1 4.13Å; Y173-V228 HydrophobicContact CE1-CG1 3.46Å; Y173-V228 VanDerWaalsContact CE1-CG1 3.46Å; Y173-V228 HydrophobicContact CE2-CG1 4.32Å; L224-V228 WeakPolarHBondContact O-CG2 3.49Å; L224-V228 PolarHBondContact O-N 3.23Å; T225-V228 PolarHBondContact O-N 3.09Å; V228-S230 VanDerWaalsContact C-N 3.31Å; V228-S230 PolarHBondContact O-N 3.34Å; V228-L231 PolarHBondContact O-N 2.93Å; V228-N232 WeakPolarHBondContact O-CB 3.45Å; V228-N232 PolarHBondContact O-N 3.5Å; V228-I258 HydrophobicContact CB-CG2 4.42Å; V228-I258 HydrophobicContact CG1-CG2 3.67Å; V228-I258 HydrophobicContact CG2-CG2 3.97Å; V228-I262 HydrophobicContact CB-CD1 4.21Å; V228-I262 HydrophobicContact CG2-CD1 3.9Å; V228-I262 HydrophobicContact CG2-CG1 4.4Å
229	I	94.1	Very high	91.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-57.7	-47.9	173.5	-71.3	167	0	0	0	109.8	F170 Y173 L174 T225 N226 T227 L231 N232 R233 L371	F170-I229 HydrophobicContact CE2-CG2 3.8Å; Y173-I229 HydrophobicContact CD2-CG1 4.47Å; Y173-I229 HydrophobicContact CG-CG1 4.08Å; L174-I229 HydrophobicContact CD2-CD1 4.24Å; T225-I229 HydrophobicContact CG2-CD1 3.99Å; T225-I229 HydrophobicContact CG2-CG1 4.45Å; T225-I229 VanDerWaalsContact O-CG1 3.26Å; T225-I229 WeakPolarHBondContact O-CG1 3.38Å; T225-I229 PolarHBondContact O-N 3.46Å; N226-I229 PolarHBondContact O-N 2.77Å; T227-I229 PolarHBondContact O-N 3.13Å; I229-L231 PolarHBondContact O-N 3.49Å; I229-N232 PolarHBondContact O-N 2.7Å; I229-R233 HydrophobicContact CG2-CG 4.48Å; I229-R233 VanDerWaalsContact O-CG 3.28Å; I229-R233 WeakPolarHBondContact O-CG 3.37Å; I229-R233 PolarHBondContact O-N 2.74Å; I229-L371 HydrophobicContact CG2-CD1 3.9Å; I229-L371 HydrophobicContact CG2-CD2 3.81Å; I229-L371 HydrophobicContact CG2-CG 4.45Å
230	S	94.4	Very high	90	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-44.3	-179	81.4	0	0	0	0	112.4	N226 T227 V228 R233 L234 T335 Y336	N226-S230 WeakPolarHBondContact O-CB 3.48Å; N226-S230 PolarHBondContact O-N 2.88Å; T227-S230 WeakPolarHBondContact O-CB 3.39Å; T227-S230 PolarHBondContact O-N 3.46Å; T227-S230 VanDerWaalsContact O-N 3.16Å; T227-S230 PolarHBondContact O-OG 3.37Å; V228-S230 VanDerWaalsContact C-N 3.31Å; V228-S230 PolarHBondContact O-N 3.34Å; S230-R233 WeakPolarHBondContact O-CB 3.31Å; S230-R233 PolarHBondContact O-N 3.02Å; S230-L234 PolarHBondContact O-N 3.5Å; S230-T335 VanDerWaalsContact CB-OG1 3.23Å; S230-T335 WeakPolarHBondContact CB-OG1 3.45Å; S230-T335 PolarHBondContact OG-OG1 3.33Å; S230-Y336 WeakPolarHBondContact CA-OH 3.16Å; S230-Y336 VanDerWaalsContact CB-CE2 3.47Å
231	L	93.6	Very high	88.3	Confident	54 Å²	54	34.2 Å²	34.2	28%	0.283	18%	0.182	S	C	.	.	H	α-helix	trans	-66.3	-43.3	176.5	-69.2	172.2	0	0	0	111.6	T227 V228 I229 R233 L234 F235 I331 T335	T227-L231 HydrophobicContact CG2-CD1 4.22Å; T227-L231 WeakPolarHBondContact O-CG 3.22Å; T227-L231 PolarHBondContact O-N 3.44Å; V228-L231 PolarHBondContact O-N 2.93Å; I229-L231 PolarHBondContact O-N 3.49Å; L231-R233 VanDerWaalsContact C-N 3.26Å; L231-R233 PolarHBondContact O-N 3.23Å; L231-L234 WeakPolarHBondContact O-CB 3.3Å; L231-L234 PolarHBondContact O-N 3.38Å; L231-L234 VanDerWaalsContact O-N 3.08Å; L231-F235 HydrophobicContact CB-CD2 4.35Å; L231-F235 HydrophobicContact CB-CE2 4.04Å; L231-F235 WeakPolarHBondContact O-CD2 3.21Å; L231-F235 WeakPolarHBondContact O-CG 3.2Å; L231-F235 PolarHBondContact O-N 2.9Å; L231-I331 HydrophobicContact CD1-CG2 4.45Å; L231-I331 HydrophobicContact CD2-CG2 3.95Å; L231-I331 HydrophobicContact CG-CG2 4.15Å; L231-T335 HydrophobicContact CD2-CG2 3.9Å
232	N	89.7	Confident	86.3	Confident	51 Å²	51	44.1 Å²	44.1	27%	0.273	22%	0.219	S	C	.	.	H	α-helix	trans	-60.2	-36.8	175.6	177.2	69.9	0	0	0	111.8	V228 I229 G236	V228-N232 WeakPolarHBondContact O-CB 3.45Å; V228-N232 PolarHBondContact O-N 3.5Å; I229-N232 PolarHBondContact O-N 2.7Å; N232-G236 PolarHBondContact O-N 2.83Å; N232-G236 VanDerWaalsContact O-N 3.13Å
233	R	90.1	Very high	84.2	Confident	17 Å²	17	48.1 Å²	48.1	6%	0.064	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-40.6	173	-65	-66.2	136.5	-127.9	7.7	111.9	I229 S230 L231 G236 I237 I339 I368 L371	I229-R233 HydrophobicContact CG2-CG 4.48Å; I229-R233 VanDerWaalsContact O-CG 3.28Å; I229-R233 WeakPolarHBondContact O-CG 3.37Å; I229-R233 PolarHBondContact O-N 2.74Å; S230-R233 WeakPolarHBondContact O-CB 3.31Å; S230-R233 PolarHBondContact O-N 3.02Å; L231-R233 VanDerWaalsContact C-N 3.26Å; L231-R233 PolarHBondContact O-N 3.23Å; R233-G236 PolarHBondContact O-N 2.89Å; R233-I237 WeakPolarHBondContact O-CG1 3.28Å; R233-I237 PolarHBondContact O-N 3.45Å; R233-I339 HydrophobicContact CB-CD1 3.81Å; R233-I368 HydrophobicContact CB-CD1 3.92Å; R233-I368 HydrophobicContact CG-CD1 3.94Å; R233-L371 HydrophobicContact CG-CD1 3.66Å
234	L	90	Very high	81.9	Confident	27 Å²	27	52 Å²	52	14%	0.141	26%	0.258	C	S	.	.	H	α-helix	trans	-62	-50.8	176.8	-178.7	64.4	0	0	0	111.4	S230 L231 G236 I237 I238 T335 Y338 I339	S230-L234 PolarHBondContact O-N 3.5Å; L231-L234 WeakPolarHBondContact O-CB 3.3Å; L231-L234 PolarHBondContact O-N 3.38Å; L231-L234 VanDerWaalsContact O-N 3.08Å; L234-G236 VanDerWaalsContact C-N 3.3Å; L234-G236 PolarHBondContact O-N 3.49Å; L234-I237 PolarHBondContact O-N 3.27Å; L234-I238 HydrophobicContact CD1-CD1 3.67Å; L234-I238 HydrophobicContact CD1-CG1 4.12Å; L234-I238 HydrophobicContact CD2-CD1 4.27Å; L234-I238 HydrophobicContact CG-CD1 3.71Å; L234-I238 HydrophobicContact CG-CG1 4.39Å; L234-I238 PolarHBondContact O-N 3.37Å; L234-T335 HydrophobicContact CB-CG2 4.48Å; L234-T335 HydrophobicContact CD2-CG2 3.86Å; L234-Y338 HydrophobicContact CD1-CD1 3.35Å; L234-Y338 HydrophobicContact CD1-CE1 3.75Å; L234-Y338 HydrophobicContact CD1-CG 4.34Å; L234-I339 HydrophobicContact CB-CD1 4.11Å; L234-I339 HydrophobicContact CB-CG1 4.49Å; L234-I339 HydrophobicContact CD1-CD1 4.48Å; L234-I339 HydrophobicContact CD1-CG1 3.99Å
235	F	86.2	Confident	79.8	Confident	102 Å²	102	57.7 Å²	57.7	45%	0.447	28%	0.283	S	S	.	.	H	α-helix	trans	-61.2	-38.1	179.3	-70.4	-53.2	0	0	0	112.5	L231 I237 I238 S239 F243	L231-F235 HydrophobicContact CB-CD2 4.35Å; L231-F235 HydrophobicContact CB-CE2 4.04Å; L231-F235 WeakPolarHBondContact O-CD2 3.21Å; L231-F235 WeakPolarHBondContact O-CG 3.2Å; L231-F235 PolarHBondContact O-N 2.9Å; F235-I237 PolarHBondContact O-N 2.95Å; F235-I238 PolarHBondContact O-N 3.46Å; F235-S239 PolarHBondContact O-N 2.88Å; F235-F243 HydrophobicContact CB-CE2 4Å; F235-F243 HydrophobicContact CB-CZ 4.42Å
236	G	80.2	Confident	78.1	Confident	29 Å²	29	62.4 Å²	62.4	30%	0.299	30%	0.301	S	S	.	.	H	α-helix	trans	-66	-17.9	174.3	0	0	0	0	0	114.6	N232 R233 L234	N232-G236 PolarHBondContact O-N 2.83Å; N232-G236 VanDerWaalsContact O-N 3.13Å; R233-G236 PolarHBondContact O-N 2.89Å; L234-G236 VanDerWaalsContact C-N 3.3Å; L234-G236 PolarHBondContact O-N 3.49Å
237	I	80.8	Confident	76.5	Confident	36 Å²	36	65.6 Å²	65.6	19%	0.185	32%	0.322	C	S	.	.	H	α-helix	trans	-95.9	-39.5	176.7	-71.5	171.5	0	0	0	111.6	R233 L234 F235 I339 R342 L343	R233-I237 WeakPolarHBondContact O-CG1 3.28Å; R233-I237 PolarHBondContact O-N 3.45Å; L234-I237 PolarHBondContact O-N 3.27Å; F235-I237 PolarHBondContact O-N 2.95Å; I237-I339 HydrophobicContact CD1-CB 4.1Å; I237-I339 HydrophobicContact CD1-CD1 4.32Å; I237-I339 HydrophobicContact CD1-CG1 3.84Å; I237-I339 HydrophobicContact CD1-CG2 3.36Å; I237-R342 HydrophobicContact CG2-CG 4.49Å; I237-L343 HydrophobicContact CD1-CD1 4.03Å; I237-L343 HydrophobicContact CD1-CG 4.24Å
238	I	81.8	Confident	75	Confident	75 Å²	75	67.9 Å²	67.9	39%	0.385	34%	0.338	S	S	.	.	H	α-helix	trans	-72.4	-42.2	-179.8	-64.7	176.1	0	0	0	111.3	L234 F235 P240 Y338	L234-I238 HydrophobicContact CD1-CD1 3.67Å; L234-I238 HydrophobicContact CD1-CG1 4.12Å; L234-I238 HydrophobicContact CD2-CD1 4.27Å; L234-I238 HydrophobicContact CG-CD1 3.71Å; L234-I238 HydrophobicContact CG-CG1 4.39Å; L234-I238 PolarHBondContact O-N 3.37Å; F235-I238 PolarHBondContact O-N 3.46Å; I238-P240 VanDerWaalsContact C-CD 3.43Å; I238-P240 VanDerWaalsContact O-CD 3.26Å; I238-P240 WeakPolarHBondContact O-CD 3.48Å; I238-Y338 HydrophobicContact CD1-CE1 4.26Å; I238-Y338 HydrophobicContact CG1-CE1 4.14Å
239	S	71.6	Confident	73.9	Confident	26 Å²	26	76.6 Å²	76.6	18%	0.182	37%	0.368	C	S	.	.			trans	-123.6	65.9	-170.1	-64.4	0	0	0	0	111.5	F235 F241 R242	F235-S239 PolarHBondContact O-N 2.88Å; S239-F241 PolarHBondContact O-N 3.26Å; S239-R242 PolarHBondContact O-N 3.36Å
240	P	66.5	Low	73.1	Confident	61 Å²	61	81.1 Å²	81.1	40%	0.396	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-33.4	-177.1	23.1	-32.7	0	0	0	112.6	I238 D244	I238-P240 VanDerWaalsContact C-CD 3.43Å; I238-P240 VanDerWaalsContact O-CD 3.26Å; I238-P240 WeakPolarHBondContact O-CD 3.48Å; P240-D244 VanDerWaalsContact O-CG 3.29Å
241	F	59.9	Low	72.4	Confident	150 Å²	150	83 Å²	83	66%	0.658	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-16.2	-173.3	-59.4	-64.8	0	0	0	115.5	S239 F243 H245	S239-F241 PolarHBondContact O-N 3.26Å; F241-F243 VanDerWaalsContact C-N 3.32Å; F241-F243 PolarHBondContact O-N 2.89Å; F241-H245 PolarHBondContact O-ND1 2.98Å; F241-H245 VanDerWaalsContact O-ND1 3.14Å
242	R	56.3	Low	71.8	Confident	207 Å²	207	83.8 Å²	83.8	78%	0.781	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-28.6	-178.7	-69.6	-171.2	173.7	-166.1	-0.9	112.4	S239	S239-R242 PolarHBondContact O-N 3.36Å
243	F	52.8	Low	71.7	Confident	86 Å²	86	84.7 Å²	84.7	38%	0.377	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-16.3	-179	-63.2	-71.7	0	0	0	114	F235 F241 H245 W246 Q251	F235-F243 HydrophobicContact CB-CE2 4Å; F235-F243 HydrophobicContact CB-CZ 4.42Å; F241-F243 VanDerWaalsContact C-N 3.32Å; F241-F243 PolarHBondContact O-N 2.89Å; F243-H245 PolarHBondContact O-N 2.88Å; F243-W246 PolarHBondContact O-N 3.1Å; F243-W246 VanDerWaalsContact O-N 3.13Å; F243-Q251 PolarHBondContact O-NE2 3.49Å; F243-Q251 VanDerWaalsContact O-NE2 3.08Å
244	D	48.9	Very low	71.7	Confident	81 Å²	81	87.5 Å²	87.5	43%	0.433	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.6	-179.5	-87.5	-9.4	0	0	0	112.9	Q162 P240	Q162-D244 PolarHBondContact NE2-OD2 3.23Å; P240-D244 VanDerWaalsContact O-CG 3.29Å
245	H	53	Low	71.7	Confident	161 Å²	161	86.6 Å²	86.6	75%	0.745	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-13.4	177.6	-64.9	88.6	0	0	0	113.7	F241 F243 P247	F241-H245 PolarHBondContact O-ND1 2.98Å; F241-H245 VanDerWaalsContact O-ND1 3.14Å; F243-H245 PolarHBondContact O-N 2.88Å; H245-P247 WeakPolarHBondContact O-CD 3.41Å
246	W	61.3	Low	72	Confident	99 Å²	99	84.7 Å²	84.7	38%	0.375	41%	0.414	S	S	.	.	S	Bend	trans	-79.4	126	-172.9	-146.5	28.1	0	0	0	110.4	F243 S248 H250 Q251 L254	F243-W246 PolarHBondContact O-N 3.1Å; F243-W246 VanDerWaalsContact O-N 3.13Å; W246-S248 PolarHBondContact O-N 3.22Å; W246-H250 HydrophobicContact CD2-CB 3.59Å; W246-H250 AromaticContact CE2-CG 3.96Å; W246-H250 HydrophobicContact CE3-CB 4.2Å; W246-H250 HydrophobicContact CG-CB 3.98Å; W246-H250 HydrophobicContact CH2-CB 4.24Å; W246-H250 HydrophobicContact CZ2-CB 3.64Å; W246-H250 HydrophobicContact CZ3-CB 4.47Å; W246-H250 AromaticContact NE1-CG 3.63Å; W246-Q251 HydrophobicContact CB-CG 4.26Å; W246-Q251 HydrophobicContact CD2-CG 4.36Å; W246-Q251 HydrophobicContact CE3-CB 4.36Å; W246-Q251 HydrophobicContact CE3-CG 3.62Å; W246-Q251 HydrophobicContact CZ3-CG 4.39Å; W246-L254 HydrophobicContact CH2-CB 3.67Å; W246-L254 HydrophobicContact CH2-CD1 4.41Å; W246-L254 HydrophobicContact CH2-CD2 3.71Å; W246-L254 HydrophobicContact CH2-CG 4.1Å; W246-L254 HydrophobicContact CZ3-CB 3.73Å; W246-L254 HydrophobicContact CZ3-CD2 3.46Å; W246-L254 VanDerWaalsContact CZ3-CD2 3.46Å; W246-L254 HydrophobicContact CZ3-CG 4.16Å
247	P	61.5	Low	72.8	Confident	73 Å²	73	86.3 Å²	86.3	47%	0.474	42%	0.42	S	S	.	.			trans	-58.7	139	179.3	-18.1	27.8	0	0	0	109.6	H245 R249 H250 Q251	H245-P247 WeakPolarHBondContact O-CD 3.41Å; P247-R249 PolarHBondContact O-N 2.86Å; P247-H250 PolarHBondContact O-N 3.33Å; P247-Q251 PolarHBondContact O-N 2.94Å
248	S	66.3	Low	73.5	Confident	60 Å²	60	86.9 Å²	86.9	42%	0.42	42%	0.423	S	S	.	.	H	α-helix	trans	-54.9	-25.2	-175.6	62.2	0	0	0	0	114.2	W246 K252	W246-S248 PolarHBondContact O-N 3.22Å; S248-K252 WeakPolarHBondContact O-CB 3.46Å; S248-K252 PolarHBondContact O-N 2.83Å; S248-K252 VanDerWaalsContact O-N 3.13Å
249	R	73.1	Confident	74.3	Confident	212 Å²	212	84.6 Å²	84.6	80%	0.8	41%	0.411	S	S	*	.	H	α-helix	trans	-63.4	-43	173.9	-171.3	176.1	-177.6	169.8	-0.2	111.9	P247 K252 S253	P247-R249 PolarHBondContact O-N 2.86Å; R249-K252 PolarHBondContact O-N 2.98Å; R249-S253 PolarHBondContact O-N 2.83Å
250	H	77.9	Confident	75.5	Confident	97 Å²	97	88.4 Å²	88.4	45%	0.449	43%	0.429	S	S	.	.	H	α-helix	trans	-70.7	-42	179.1	-70.2	-85.9	0	0	0	111.9	W246 P247 K252 S253 L254	W246-H250 HydrophobicContact CD2-CB 3.59Å; W246-H250 AromaticContact CE2-CG 3.96Å; W246-H250 HydrophobicContact CE3-CB 4.2Å; W246-H250 HydrophobicContact CG-CB 3.98Å; W246-H250 HydrophobicContact CH2-CB 4.24Å; W246-H250 HydrophobicContact CZ2-CB 3.64Å; W246-H250 HydrophobicContact CZ3-CB 4.47Å; W246-H250 AromaticContact NE1-CG 3.63Å; P247-H250 PolarHBondContact O-N 3.33Å; H250-K252 VanDerWaalsContact C-N 3.3Å; H250-K252 PolarHBondContact O-N 3.29Å; H250-S253 PolarHBondContact O-N 3.43Å; H250-S253 VanDerWaalsContact O-N 3.14Å; H250-L254 WeakPolarHBondContact O-CB 3.41Å; H250-L254 PolarHBondContact O-N 3.36Å
251	Q	78	Confident	77	Confident	38 Å²	38	88.6 Å²	88.6	18%	0.178	43%	0.432	C	S	.	.	H	α-helix	trans	-57.5	-43.1	174.3	-72	-179.3	-6	0	0	112.1	F243 W246 P247 T255	F243-Q251 PolarHBondContact O-NE2 3.49Å; F243-Q251 VanDerWaalsContact O-NE2 3.08Å; W246-Q251 HydrophobicContact CB-CG 4.26Å; W246-Q251 HydrophobicContact CD2-CG 4.36Å; W246-Q251 HydrophobicContact CE3-CB 4.36Å; W246-Q251 HydrophobicContact CE3-CG 3.62Å; W246-Q251 HydrophobicContact CZ3-CG 4.39Å; P247-Q251 PolarHBondContact O-N 2.94Å; Q251-T255 WeakPolarHBondContact O-CB 3.48Å; Q251-T255 PolarHBondContact O-N 2.75Å; Q251-T255 PolarHBondContact O-OG1 2.99Å
252	K	82.3	Confident	78.9	Confident	72 Å²	72	81.9 Å²	81.9	31%	0.313	40%	0.403	S	S	.	.	H	α-helix	trans	-63.6	-46.6	175.1	-176.5	-168.8	166.9	-159.1	0	111.4	Y172 S248 R249 H250 L254 T255 I256	Y172-K252 HydrophobicContact CE2-CG 4.21Å; Y172-K252 WeakPolarHBondContact OH-CE 3.49Å; S248-K252 WeakPolarHBondContact O-CB 3.46Å; S248-K252 PolarHBondContact O-N 2.83Å; S248-K252 VanDerWaalsContact O-N 3.13Å; R249-K252 PolarHBondContact O-N 2.98Å; H250-K252 VanDerWaalsContact C-N 3.3Å; H250-K252 PolarHBondContact O-N 3.29Å; K252-L254 VanDerWaalsContact C-N 3.34Å; K252-L254 PolarHBondContact O-N 3.35Å; K252-T255 PolarHBondContact O-N 3.49Å; K252-I256 HydrophobicContact CD-CD1 4.44Å; K252-I256 HydrophobicContact CG-CD1 4.01Å; K252-I256 WeakPolarHBondContact O-CG1 3.4Å; K252-I256 PolarHBondContact O-N 2.95Å
253	S	87.6	Confident	80.9	Confident	69 Å²	69	74 Å²	74	48%	0.483	37%	0.373	S	S	.	.	H	α-helix	trans	-59	-47.4	178.9	-161	0	0	0	0	110.8	R249 H250 T255 I256 C257	R249-S253 PolarHBondContact O-N 2.83Å; H250-S253 PolarHBondContact O-N 3.43Å; H250-S253 VanDerWaalsContact O-N 3.14Å; S253-T255 PolarHBondContact O-N 2.92Å; S253-I256 PolarHBondContact O-N 3Å; S253-C257 PolarHBondContact O-N 3.39Å; S253-C257 PolarHBondContact O-SG 3.14Å
254	L	89.5	Confident	83	Confident	77 Å²	77	72.4 Å²	72.4	40%	0.403	38%	0.376	S	S	.	.	H	α-helix	trans	-59.5	-46.4	176.7	-177.4	69.5	0	0	0	111.6	W246 H250 K252 I256 C257 I258	W246-L254 HydrophobicContact CH2-CB 3.67Å; W246-L254 HydrophobicContact CH2-CD1 4.41Å; W246-L254 HydrophobicContact CH2-CD2 3.71Å; W246-L254 HydrophobicContact CH2-CG 4.1Å; W246-L254 HydrophobicContact CZ3-CB 3.73Å; W246-L254 HydrophobicContact CZ3-CD2 3.46Å; W246-L254 VanDerWaalsContact CZ3-CD2 3.46Å; W246-L254 HydrophobicContact CZ3-CG 4.16Å; H250-L254 WeakPolarHBondContact O-CB 3.41Å; H250-L254 PolarHBondContact O-N 3.36Å; K252-L254 VanDerWaalsContact C-N 3.34Å; K252-L254 PolarHBondContact O-N 3.35Å; L254-I256 VanDerWaalsContact C-N 3.29Å; L254-I256 PolarHBondContact O-N 3.28Å; L254-C257 PolarHBondContact O-N 2.88Å; L254-I258 HydrophobicContact CD1-CD1 4.21Å; L254-I258 HydrophobicContact CD1-CG1 4.38Å; L254-I258 HydrophobicContact CD2-CD1 4.19Å; L254-I258 HydrophobicContact CG-CD1 3.78Å; L254-I258 HydrophobicContact CG-CG1 4.34Å; L254-I258 VanDerWaalsContact O-CG1 3.3Å; L254-I258 WeakPolarHBondContact O-CG1 3.06Å; L254-I258 PolarHBondContact O-N 3.49Å
255	T	90.8	Very high	85.3	Confident	7 Å²	7	73.2 Å²	73.2	4%	0.043	38%	0.379	C	S	.	.	H	α-helix	trans	-57.3	-44.3	177.9	-58.7	0	0	0	0	111.4	A169 Y172 Y173 Q251 K252 S253 I258 I259	A169-T255 HydrophobicContact CB-CG2 4.46Å; A169-T255 WeakPolarHBondContact CB-OG1 3.37Å; Y172-T255 HydrophobicContact CD2-CG2 4.41Å; Y172-T255 HydrophobicContact CG-CG2 4.49Å; Y173-T255 HydrophobicContact CD1-CG2 4.47Å; Y173-T255 HydrophobicContact CD2-CG2 4.34Å; Y173-T255 HydrophobicContact CE1-CG2 4.03Å; Y173-T255 HydrophobicContact CE2-CG2 3.91Å; Q251-T255 WeakPolarHBondContact O-CB 3.48Å; Q251-T255 PolarHBondContact O-N 2.75Å; Q251-T255 PolarHBondContact O-OG1 2.99Å; K252-T255 PolarHBondContact O-N 3.49Å; S253-T255 PolarHBondContact O-N 2.92Å; T255-I258 PolarHBondContact O-N 3.34Å; T255-I259 HydrophobicContact CG2-CD1 4.07Å; T255-I259 VanDerWaalsContact O-CG1 3.31Å; T255-I259 WeakPolarHBondContact O-CG1 3.28Å; T255-I259 PolarHBondContact O-N 3.46Å
256	I	92.9	Very high	87.5	Confident	62 Å²	62	65.5 Å²	65.5	32%	0.318	34%	0.343	S	S	.	.	H	α-helix	trans	-66.6	-43.9	177.6	-69	171.3	0	0	0	110.8	K252 S253 L254 I258 I259 I260	K252-I256 HydrophobicContact CD-CD1 4.44Å; K252-I256 HydrophobicContact CG-CD1 4.01Å; K252-I256 WeakPolarHBondContact O-CG1 3.4Å; K252-I256 PolarHBondContact O-N 2.95Å; S253-I256 PolarHBondContact O-N 3Å; L254-I256 VanDerWaalsContact C-N 3.29Å; L254-I256 PolarHBondContact O-N 3.28Å; I256-I258 VanDerWaalsContact C-N 3.34Å; I256-I258 PolarHBondContact O-N 3.26Å; I256-I259 PolarHBondContact O-N 2.76Å; I256-I260 HydrophobicContact CG2-CD1 3.77Å; I256-I260 HydrophobicContact CG2-CG1 4.37Å; I256-I260 WeakPolarHBondContact O-CG1 3.39Å; I256-I260 PolarHBondContact O-N 3.18Å
257	C	96	Very high	89.2	Confident	64 Å²	64	65.2 Å²	65.2	43%	0.432	35%	0.345	S	S	.	.	H	α-helix	trans	-58.5	-45.5	175.5	-66.5	0	0	0	0	111.6	S253 L254 I259 I260 S261	S253-C257 PolarHBondContact O-N 3.39Å; S253-C257 PolarHBondContact O-SG 3.14Å; L254-C257 PolarHBondContact O-N 2.88Å; C257-I259 PolarHBondContact O-N 2.83Å; C257-I260 PolarHBondContact O-N 3.4Å; C257-S261 PolarHBondContact O-N 2.84Å; C257-S261 PolarHBondContact O-OG 3.37Å; C257-S261 VanDerWaalsContact O-OG 3.06Å
258	I	96.5	Very high	90.9	Very high	48 Å²	48	65.5 Å²	65.5	25%	0.246	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-44.3	177.4	-67.4	165.9	0	0	0	110.9	Y173 V228 L254 T255 I256 S261 I262	Y173-I258 HydrophobicContact CE1-CB 4.5Å; Y173-I258 HydrophobicContact CE1-CG2 4.11Å; Y173-I258 WeakPolarHBondContact OH-CD1 3.28Å; V228-I258 HydrophobicContact CB-CG2 4.42Å; V228-I258 HydrophobicContact CG1-CG2 3.67Å; V228-I258 HydrophobicContact CG2-CG2 3.97Å; L254-I258 HydrophobicContact CD1-CD1 4.21Å; L254-I258 HydrophobicContact CD1-CG1 4.38Å; L254-I258 HydrophobicContact CD2-CD1 4.19Å; L254-I258 HydrophobicContact CG-CD1 3.78Å; L254-I258 HydrophobicContact CG-CG1 4.34Å; L254-I258 VanDerWaalsContact O-CG1 3.3Å; L254-I258 WeakPolarHBondContact O-CG1 3.06Å; L254-I258 PolarHBondContact O-N 3.49Å; T255-I258 PolarHBondContact O-N 3.34Å; I256-I258 VanDerWaalsContact C-N 3.34Å; I256-I258 PolarHBondContact O-N 3.26Å; I258-S261 PolarHBondContact O-N 2.98Å; I258-I262 HydrophobicContact CG2-CD1 3.98Å; I258-I262 HydrophobicContact CG2-CG1 4.43Å; I258-I262 VanDerWaalsContact O-CG1 3.31Å; I258-I262 WeakPolarHBondContact O-CG1 3.06Å; I258-I262 PolarHBondContact O-N 3.05Å
259	I	97.2	Very high	92.2	Very high	26 Å²	26	64.8 Å²	64.8	13%	0.133	35%	0.351	C	S	.	.	H	α-helix	trans	-60	-48.8	175.9	-70.7	168.2	0	0	0	110.3	Y173 T255 I256 C257 S261 I262 W263	Y173-I259 HydrophobicContact CD1-CD1 4.08Å; Y173-I259 HydrophobicContact CD1-CG1 3.87Å; Y173-I259 HydrophobicContact CE1-CD1 4.35Å; Y173-I259 HydrophobicContact CE1-CG1 3.92Å; T255-I259 HydrophobicContact CG2-CD1 4.07Å; T255-I259 VanDerWaalsContact O-CG1 3.31Å; T255-I259 WeakPolarHBondContact O-CG1 3.28Å; T255-I259 PolarHBondContact O-N 3.46Å; I256-I259 PolarHBondContact O-N 2.76Å; C257-I259 PolarHBondContact O-N 2.83Å; I259-S261 VanDerWaalsContact C-N 3.28Å; I259-S261 PolarHBondContact O-N 2.75Å; I259-I262 WeakPolarHBondContact O-CB 3.28Å; I259-I262 PolarHBondContact O-N 2.96Å; I259-I262 VanDerWaalsContact O-N 3.12Å; I259-W263 PolarHBondContact O-N 3.06Å
260	I	97.9	Very high	93.3	Very high	107 Å²	107	54.8 Å²	54.8	55%	0.549	31%	0.313	S	S	.	.	H	α-helix	trans	-57.6	-42.8	177.2	-68.2	167.4	0	0	0	110.9	I256 C257 W263 A264	I256-I260 HydrophobicContact CG2-CD1 3.77Å; I256-I260 HydrophobicContact CG2-CG1 4.37Å; I256-I260 WeakPolarHBondContact O-CG1 3.39Å; I256-I260 PolarHBondContact O-N 3.18Å; C257-I260 PolarHBondContact O-N 3.4Å; I260-W263 PolarHBondContact O-N 2.66Å; I260-A264 VanDerWaalsContact O-CB 3.32Å; I260-A264 WeakPolarHBondContact O-CB 3.19Å; I260-A264 PolarHBondContact O-N 3.46Å
261	S	98.1	Very high	94.2	Very high	65 Å²	65	52.5 Å²	52.5	46%	0.455	31%	0.306	S	S	.	.	H	α-helix	trans	-62.5	-43	175.7	-60.3	0	0	0	0	112.4	C257 I258 I259 W263 A264 I265	C257-S261 PolarHBondContact O-N 2.84Å; C257-S261 PolarHBondContact O-OG 3.37Å; C257-S261 VanDerWaalsContact O-OG 3.06Å; I258-S261 PolarHBondContact O-N 2.98Å; I259-S261 VanDerWaalsContact C-N 3.28Å; I259-S261 PolarHBondContact O-N 2.75Å; S261-W263 PolarHBondContact O-N 2.84Å; S261-A264 PolarHBondContact O-N 2.86Å; S261-I265 WeakPolarHBondContact O-CB 3.07Å; S261-I265 WeakPolarHBondContact O-CD1 3.26Å; S261-I265 WeakPolarHBondContact O-CG1 3.21Å; S261-I265 PolarHBondContact O-N 3.48Å
262	I	98.1	Very high	95	Very high	9 Å²	9	53.6 Å²	53.6	5%	0.046	32%	0.315	C	S	.	.	H	α-helix	trans	-57.5	-49.7	175.3	-70.9	162.4	0	0	0	110.5	A221 L224 V228 I258 I259 I265 S266	A221-I262 HydrophobicContact CB-CG2 4.43Å; L224-I262 HydrophobicContact CB-CG1 4.23Å; L224-I262 HydrophobicContact CB-CG2 3.75Å; L224-I262 HydrophobicContact CD1-CG2 4.36Å; V228-I262 HydrophobicContact CB-CD1 4.21Å; V228-I262 HydrophobicContact CG2-CD1 3.9Å; V228-I262 HydrophobicContact CG2-CG1 4.4Å; I258-I262 HydrophobicContact CG2-CD1 3.98Å; I258-I262 HydrophobicContact CG2-CG1 4.43Å; I258-I262 VanDerWaalsContact O-CG1 3.31Å; I258-I262 WeakPolarHBondContact O-CG1 3.06Å; I258-I262 PolarHBondContact O-N 3.05Å; I259-I262 WeakPolarHBondContact O-CB 3.28Å; I259-I262 PolarHBondContact O-N 2.96Å; I259-I262 VanDerWaalsContact O-N 3.12Å; I262-I265 PolarHBondContact O-N 3.43Å; I262-S266 WeakPolarHBondContact O-CB 3.43Å; I262-S266 PolarHBondContact O-N 2.95Å; I262-S266 PolarHBondContact O-OG 2.99Å
263	W	98.4	Very high	95.5	Very high	41 Å²	41	50.6 Å²	50.6	16%	0.155	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-43.4	179.9	-77	98.9	0	0	0	111.5	S176 I179 V217 M218 A221 I259 I260 S261 I265 S266 F267	S176-W263 PolarHBondContact OG-NE1 3.39Å; S176-W263 VanDerWaalsContact OG-NE1 3.12Å; I179-W263 HydrophobicContact CB-CZ2 4.32Å; I179-W263 HydrophobicContact CG2-CH2 3.96Å; I179-W263 HydrophobicContact CG2-CZ2 3.85Å; V217-W263 HydrophobicContact CG1-CE3 4.48Å; V217-W263 HydrophobicContact CG1-CZ3 4.32Å; M218-W263 HydrophobicContact CE-CH2 4.43Å; M218-W263 HydrophobicContact CE-CZ3 3.98Å; M218-W263 HydrophobicContact SD-CH2 3.77Å; M218-W263 HydrophobicContact SD-CZ3 3.77Å; A221-W263 HydrophobicContact CB-CD2 4.36Å; A221-W263 HydrophobicContact CB-CE3 4.22Å; A221-W263 HydrophobicContact CB-CH2 4.25Å; A221-W263 HydrophobicContact CB-CZ2 4.37Å; A221-W263 HydrophobicContact CB-CZ3 4.17Å; I259-W263 PolarHBondContact O-N 3.06Å; I260-W263 PolarHBondContact O-N 2.66Å; S261-W263 PolarHBondContact O-N 2.84Å; W263-I265 PolarHBondContact O-N 3.45Å; W263-S266 PolarHBondContact O-N 3Å; W263-S266 VanDerWaalsContact O-N 3.16Å; W263-F267 HydrophobicContact CB-CD2 4.36Å; W263-F267 HydrophobicContact CB-CE2 4.23Å; W263-F267 AromaticContact CE3-CE2 3.79Å; W263-F267 HydrophobicContact CE3-CE2 3.79Å; W263-F267 HydrophobicContact CE3-CZ 4Å; W263-F267 HydrophobicContact CZ3-CZ 4.39Å; W263-F267 WeakPolarHBondContact O-CD2 3.19Å; W263-F267 PolarHBondContact O-N 3.5Å
264	A	98.3	Very high	95.8	Very high	53 Å²	53	49.9 Å²	49.9	44%	0.438	29%	0.293	S	S	.	.	H	α-helix	trans	-59.5	-45.3	176.8	0	0	0	0	0	112.2	I260 S261 S266 S268	I260-A264 VanDerWaalsContact O-CB 3.32Å; I260-A264 WeakPolarHBondContact O-CB 3.19Å; I260-A264 PolarHBondContact O-N 3.46Å; S261-A264 PolarHBondContact O-N 2.86Å; A264-S266 VanDerWaalsContact C-N 3.32Å; A264-S266 PolarHBondContact O-N 3.12Å; A264-S268 WeakPolarHBondContact O-CB 3.47Å; A264-S268 PolarHBondContact O-N 3.44Å; A264-S268 PolarHBondContact O-OG 2.87Å
265	I	97.6	Very high	96	Very high	97 Å²	97	53.1 Å²	53.1	50%	0.497	30%	0.304	S	S	.	.	H	α-helix	trans	-63	-40.3	175.2	-67.6	164.4	0	0	0	110.8	L224 S261 I262 W263 S268 G269	L224-I265 HydrophobicContact CD1-CB 4.29Å; L224-I265 HydrophobicContact CD1-CG2 3.83Å; S261-I265 WeakPolarHBondContact O-CB 3.07Å; S261-I265 WeakPolarHBondContact O-CD1 3.26Å; S261-I265 WeakPolarHBondContact O-CG1 3.21Å; S261-I265 PolarHBondContact O-N 3.48Å; I262-I265 PolarHBondContact O-N 3.43Å; W263-I265 PolarHBondContact O-N 3.45Å; I265-S268 PolarHBondContact O-OG 3.4Å; I265-G269 WeakPolarHBondContact O-CA 3.43Å; I265-G269 PolarHBondContact O-N 2.73Å
266	S	98	Very high	96.1	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-67.7	-45.1	-179.4	-55	0	0	0	0	111.6	A221 I262 W263 A264 S270	A221-S266 VanDerWaalsContact CA-OG 3.25Å; A221-S266 WeakPolarHBondContact CA-OG 3.2Å; A221-S266 PolarHBondContact N-OG 3.33Å; A221-S266 VanDerWaalsContact N-OG 3.15Å; I262-S266 WeakPolarHBondContact O-CB 3.43Å; I262-S266 PolarHBondContact O-N 2.95Å; I262-S266 PolarHBondContact O-OG 2.99Å; W263-S266 PolarHBondContact O-N 3Å; W263-S266 VanDerWaalsContact O-N 3.16Å; A264-S266 VanDerWaalsContact C-N 3.32Å; A264-S266 PolarHBondContact O-N 3.12Å; S266-S270 VanDerWaalsContact O-CB 3.23Å; S266-S270 WeakPolarHBondContact O-CB 3.39Å; S266-S270 PolarHBondContact O-N 2.98Å; S266-S270 VanDerWaalsContact O-N 3.14Å; S266-S270 PolarHBondContact O-OG 3.21Å
267	F	98	Very high	96.1	Very high	93 Å²	93	50.2 Å²	50.2	41%	0.408	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-46.3	176	-76.8	-59.8	0	0	0	112	Y213 V217 W263 T271	Y213-F267 HydrophobicContact CE1-CD1 4.44Å; Y213-F267 WeakPolarHBondContact OH-CD1 3.3Å; Y213-F267 PolarHBondContact OH-O 3.48Å; V217-F267 HydrophobicContact CB-CD1 4.48Å; V217-F267 HydrophobicContact CG1-CD1 3.72Å; V217-F267 HydrophobicContact CG1-CE1 3.7Å; V217-F267 HydrophobicContact CG1-CG 4.3Å; V217-F267 HydrophobicContact CG1-CZ 4.25Å; V217-F267 HydrophobicContact CG2-CD1 3.9Å; V217-F267 HydrophobicContact CG2-CE1 4.41Å; W263-F267 HydrophobicContact CB-CD2 4.36Å; W263-F267 HydrophobicContact CB-CE2 4.23Å; W263-F267 AromaticContact CE3-CE2 3.79Å; W263-F267 HydrophobicContact CE3-CE2 3.79Å; W263-F267 HydrophobicContact CE3-CZ 4Å; W263-F267 HydrophobicContact CZ3-CZ 4.39Å; W263-F267 WeakPolarHBondContact O-CD2 3.19Å; W263-F267 PolarHBondContact O-N 3.5Å; F267-T271 PolarHBondContact O-OG1 3.24Å
268	S	96.8	Very high	96	Very high	78 Å²	78	51.9 Å²	51.9	55%	0.545	29%	0.287	S	S	.	.	H	α-helix	trans	-68.5	-50.3	-179.2	65.2	0	0	0	0	111.5	A264 I265 S270 T271	A264-S268 WeakPolarHBondContact O-CB 3.47Å; A264-S268 PolarHBondContact O-N 3.44Å; A264-S268 PolarHBondContact O-OG 2.87Å; I265-S268 PolarHBondContact O-OG 3.4Å; S268-S270 PolarHBondContact O-N 3.29Å; S268-T271 VanDerWaalsContact O-CB 3.24Å; S268-T271 WeakPolarHBondContact O-CB 3.34Å; S268-T271 PolarHBondContact O-N 3.1Å; S268-T271 VanDerWaalsContact O-N 3.08Å; S268-T271 PolarHBondContact O-OG1 3.43Å
269	G	94.2	Very high	95.7	Very high	46 Å²	46	51.1 Å²	51.1	47%	0.474	29%	0.285	S	S	.	.	H	α-helix	trans	-62.5	-28.6	-178.5	0	0	0	0	0	113.8	I265	I265-G269 WeakPolarHBondContact O-CA 3.43Å; I265-G269 PolarHBondContact O-N 2.73Å
270	S	96	Very high	95.2	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.007	30%	0.295	C	S	.	.	H	α-helix	trans	-83.9	-10.8	178.8	-53.9	0	0	0	0	113.7	Y213 V217 S266 S268 V272 Q273	Y213-S270 VanDerWaalsContact CD2-O 3.28Å; Y213-S270 WeakPolarHBondContact CD2-O 3.42Å; V217-S270 WeakPolarHBondContact CA-OG 3.29Å; V217-S270 PolarHBondContact N-OG 3.39Å; S266-S270 VanDerWaalsContact O-CB 3.23Å; S266-S270 WeakPolarHBondContact O-CB 3.39Å; S266-S270 PolarHBondContact O-N 2.98Å; S266-S270 VanDerWaalsContact O-N 3.14Å; S266-S270 PolarHBondContact O-OG 3.21Å; S268-S270 PolarHBondContact O-N 3.29Å; S270-V272 PolarHBondContact O-N 2.86Å; S270-Q273 WeakPolarHBondContact O-CB 3.16Å; S270-Q273 PolarHBondContact O-N 3.35Å
271	T	96.3	Very high	94.4	Very high	49 Å²	49	57.1 Å²	57.1	30%	0.301	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.7	-172.1	-58.7	0	0	0	0	113.1	F267 S268 Q273 L274 F275	F267-T271 PolarHBondContact O-OG1 3.24Å; S268-T271 VanDerWaalsContact O-CB 3.24Å; S268-T271 WeakPolarHBondContact O-CB 3.34Å; S268-T271 PolarHBondContact O-N 3.1Å; S268-T271 VanDerWaalsContact O-N 3.08Å; S268-T271 PolarHBondContact O-OG1 3.43Å; T271-Q273 PolarHBondContact O-N 3.43Å; T271-Q273 VanDerWaalsContact O-N 3.16Å; T271-L274 WeakPolarHBondContact O-CB 3.29Å; T271-L274 PolarHBondContact O-N 3.43Å; T271-F275 HydrophobicContact CG2-CD2 4.4Å; T271-F275 HydrophobicContact CG2-CE2 3.87Å
272	V	94	Very high	93	Very high	62 Å²	62	55.5 Å²	55.5	38%	0.376	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-37	175.4	-179.5	0	0	0	0	111.6	S270 L274 F275 A276 W306 Y316	S270-V272 PolarHBondContact O-N 2.86Å; V272-L274 VanDerWaalsContact C-N 3.26Å; V272-L274 PolarHBondContact O-N 3.21Å; V272-F275 PolarHBondContact O-N 2.97Å; V272-A276 HydrophobicContact CG1-CB 4.37Å; V272-A276 WeakPolarHBondContact O-CB 3.2Å; V272-A276 PolarHBondContact O-N 3.3Å; V272-W306 HydrophobicContact CG1-CH2 3.92Å; V272-Y316 HydrophobicContact CB-CE2 3.78Å; V272-Y316 HydrophobicContact CG1-CD2 4.04Å; V272-Y316 HydrophobicContact CG1-CE2 3.6Å; V272-Y316 HydrophobicContact CG2-CE2 4.23Å
273	Q	93.5	Very high	91	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.037	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-29.4	178.8	-75	-64.1	-0.5	0	0	113.9	V212 L216 S270 T271 F275 T277 E304 Y316	V212-Q273 HydrophobicContact CG1-CB 4.35Å; V212-Q273 HydrophobicContact CG1-CG 4.07Å; L216-Q273 HydrophobicContact CB-CG 4.3Å; L216-Q273 HydrophobicContact CD2-CG 3.43Å; L216-Q273 VanDerWaalsContact CD2-CG 3.43Å; L216-Q273 HydrophobicContact CG-CG 4.49Å; S270-Q273 WeakPolarHBondContact O-CB 3.16Å; S270-Q273 PolarHBondContact O-N 3.35Å; T271-Q273 PolarHBondContact O-N 3.43Å; T271-Q273 VanDerWaalsContact O-N 3.16Å; Q273-F275 PolarHBondContact O-N 3.44Å; Q273-T277 WeakPolarHBondContact O-CB 3.46Å; Q273-T277 PolarHBondContact O-N 2.91Å; Q273-T277 VanDerWaalsContact O-N 3.12Å; Q273-T277 PolarHBondContact OE1-OG1 3.19Å; Q273-E304 PolarHBondContact NE2-OE1 2.98Å; Q273-Y316 WeakPolarHBondContact CG-OH 3.31Å
274	L	94.6	Very high	88.8	Confident	54 Å²	54	58.7 Å²	58.7	28%	0.283	32%	0.322	S	S	.	.	H	α-helix	trans	-66.9	-18.3	175.4	-68.9	172.2	0	0	0	112.5	P209 Y213 T271 V272 R278	P209-L274 HydrophobicContact CB-CD2 4.49Å; Y213-L274 HydrophobicContact CD1-CD1 4.22Å; Y213-L274 HydrophobicContact CD1-CD2 3.97Å; Y213-L274 HydrophobicContact CD1-CG 4.16Å; Y213-L274 HydrophobicContact CD2-CD1 3.92Å; Y213-L274 HydrophobicContact CD2-CD2 4.2Å; Y213-L274 HydrophobicContact CD2-CG 3.61Å; Y213-L274 HydrophobicContact CE1-CD1 4.23Å; Y213-L274 HydrophobicContact CE2-CD1 3.93Å; Y213-L274 HydrophobicContact CE2-CG 4.15Å; Y213-L274 HydrophobicContact CG-CD1 4.05Å; Y213-L274 HydrophobicContact CG-CD2 3.65Å; Y213-L274 HydrophobicContact CG-CG 3.6Å; T271-L274 WeakPolarHBondContact O-CB 3.29Å; T271-L274 PolarHBondContact O-N 3.43Å; V272-L274 VanDerWaalsContact C-N 3.26Å; V272-L274 PolarHBondContact O-N 3.21Å; L274-R278 PolarHBondContact O-NH1 2.82Å; L274-R278 PolarHBondContact O-NH2 2.87Å
275	F	92.9	Very high	86.3	Confident	145 Å²	145	62.4 Å²	62.4	64%	0.636	33%	0.334	S	S	*	.	H	α-helix	trans	-106.6	-40.6	178.4	-62.1	-76.7	0	0	0	112.4	T271 V272 Q273 R278	T271-F275 HydrophobicContact CG2-CD2 4.4Å; T271-F275 HydrophobicContact CG2-CE2 3.87Å; V272-F275 PolarHBondContact O-N 2.97Å; Q273-F275 PolarHBondContact O-N 3.44Å; F275-R278 PolarHBondContact O-NH1 3.28Å; F275-R278 PolarHBondContact O-NH2 3.38Å
276	A	92.8	Very high	83.9	Confident	6 Å²	6	59.5 Å²	59.5	5%	0.05	32%	0.321	C	S	.	.	H	α-helix	trans	-72.7	-32	-178.1	0	0	0	0	0	113.3	V272 E304 S305 W306	V272-A276 HydrophobicContact CG1-CB 4.37Å; V272-A276 WeakPolarHBondContact O-CB 3.2Å; V272-A276 PolarHBondContact O-N 3.3Å; A276-E304 CarbonylContact O-C 3.57Å; A276-E304 WeakPolarHBondContact O-CA 3.26Å; A276-S305 PolarHBondContact O-N 3.37Å; A276-W306 HydrophobicContact CB-CD2 4.46Å; A276-W306 HydrophobicContact CB-CH2 3.95Å; A276-W306 HydrophobicContact CB-CZ2 3.58Å
277	T	93.6	Very high	81.6	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.012	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.1	-176.4	-71.9	0	0	0	0	112.2	C208 V212 Q273	C208-T277 WeakPolarHBondContact SG-CG2 3.47Å; V212-T277 HydrophobicContact CB-CG2 4.14Å; V212-T277 HydrophobicContact CG2-CG2 3.9Å; Q273-T277 WeakPolarHBondContact O-CB 3.46Å; Q273-T277 PolarHBondContact O-N 2.91Å; Q273-T277 VanDerWaalsContact O-N 3.12Å; Q273-T277 PolarHBondContact OE1-OG1 3.19Å
278	R	93.3	Very high	79.4	Confident	99 Å²	99	65.5 Å²	65.5	37%	0.374	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.5	179.3	-66.2	-68	177.2	-101.1	6.5	111.6	C208 L274 F275 Q303	C208-R278 VanDerWaalsContact SG-C 3.59Å; L274-R278 PolarHBondContact O-NH1 2.82Å; L274-R278 PolarHBondContact O-NH2 2.87Å; F275-R278 PolarHBondContact O-NH1 3.28Å; F275-R278 PolarHBondContact O-NH2 3.38Å; R278-Q303 PolarHBondContact N-O 3.31Å; R278-Q303 PolarHBondContact O-N 2.72Å
279	T	91.4	Very high	77.3	Confident	33 Å²	33	68.4 Å²	68.4	20%	0.202	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	128.3	165.6	55.6	0	0	0	0	110	W201 D205 C208 L301	W201-T279 HydrophobicContact CG-CG2 4.24Å; D205-T279 HydrophobicContact CB-CG2 4.25Å; D205-T279 WeakPolarHBondContact CB-OG1 3.47Å; D205-T279 WeakPolarHBondContact OD1-CB 3.46Å; D205-T279 PolarHBondContact OD1-OG1 3.09Å; C208-T279 HydrophobicContact CB-CG2 3.44Å; C208-T279 VanDerWaalsContact CB-CG2 3.44Å; T279-L301 CarbonylContact C-O 3.5Å; T279-L301 VanDerWaalsContact CA-O 3.31Å; T279-L301 WeakPolarHBondContact CA-O 3.45Å
280	Q	86.2	Confident	75.3	Confident	73 Å²	73	71.4 Å²	71.4	34%	0.341	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.3	173.9	-68.1	-172.6	-14.3	0	0	109.2	K300 L301 S305	Q280-K300 CarbonylContact O-C 3.58Å; Q280-K300 WeakPolarHBondContact O-CA 3.47Å; Q280-L301 PolarHBondContact N-O 2.88Å; Q280-L301 PolarHBondContact O-N 2.9Å; Q280-S305 PolarHBondContact NE2-OG 3.21Å
281	R	81	Confident	73.2	Confident	186 Å²	186	78.3 Å²	78.3	70%	0.702	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	127	171.9	-70.5	-177.1	174.1	116.4	-2.7	108.1	G283 K300	R281-G283 PolarHBondContact O-N 3.42Å; R281-G283 VanDerWaalsContact O-N 3.11Å; R281-K300 HydrophobicContact CG-CG 4.22Å
282	Q	67.8	Low	70.8	Confident	30 Å²	30	84.7 Å²	84.7	14%	0.14	43%	0.429	C	S	.	.			trans	-70.5	107.3	174.3	-164.8	174.3	27.8	0	0	107.9	F4 Q284 R299	F4-Q282 PolarHBondContact O-NE2 2.86Å; Q282-Q284 PolarHBondContact O-N 3.31Å; Q282-Q284 VanDerWaalsContact O-N 3.13Å; Q282-R299 PolarHBondContact N-O 3.27Å
283	G	55.9	Low	68.8	Low	67 Å²	67	89.8 Å²	89.8	69%	0.691	45%	0.448	S	S	*	.			trans	-69	105.1	172.7	0	0	0	0	0	108.5	R281	R281-G283 PolarHBondContact O-N 3.42Å; R281-G283 VanDerWaalsContact O-N 3.11Å
284	Q	52.5	Low	66.5	Low	51 Å²	51	92.5 Å²	92.5	24%	0.238	48%	0.479	C	S	.	.			trans	-81.3	130.2	171	-71.7	179.5	-72.6	0	0	108.4	Q282 T286	Q282-Q284 PolarHBondContact O-N 3.31Å; Q282-Q284 VanDerWaalsContact O-N 3.13Å; Q284-T286 HydrophobicContact CB-CG2 3.4Å; Q284-T286 VanDerWaalsContact CB-CG2 3.4Å; Q284-T286 WeakPolarHBondContact CB-OG1 3.49Å; Q284-T286 HydrophobicContact CG-CG2 3.92Å; Q284-T286 PolarHBondContact O-N 2.91Å; Q284-T286 PolarHBondContact O-OG1 3.28Å; Q284-T286 VanDerWaalsContact OE1-CG2 3.31Å
285	N	46.2	Very low	64.3	Low	131 Å²	131	100.1 Å²	100.1	70%	0.701	51%	0.506	S	S	*	.			trans	-68	61	146	-73.4	-15.9	0	0	0	107.6	E9	E9-N285 PolarHBondContact OE1-ND2 3.49Å
286	T	48	Very low	62.3	Low	35 Å²	35	95.4 Å²	95.4	22%	0.215	49%	0.49	C	S	.	.			trans	-74.3	129.9	175.7	23.1	0	0	0	0	107.7	Q284 E290	Q284-T286 HydrophobicContact CB-CG2 3.4Å; Q284-T286 VanDerWaalsContact CB-CG2 3.4Å; Q284-T286 WeakPolarHBondContact CB-OG1 3.49Å; Q284-T286 HydrophobicContact CG-CG2 3.92Å; Q284-T286 PolarHBondContact O-N 2.91Å; Q284-T286 PolarHBondContact O-OG1 3.28Å; Q284-T286 VanDerWaalsContact OE1-CG2 3.31Å; T286-E290 HydrophobicContact CG2-CB 4.02Å; T286-E290 WeakPolarHBondContact CG2-OE2 3.5Å
287	N	48.6	Very low	60.4	Low	114 Å²	114	99.4 Å²	99.4	61%	0.61	52%	0.524	S	S	*	.			trans	-50.8	140.7	165.5	-73.8	-33.1	0	0	0	109	L289 E290	N287-L289 PolarHBondContact O-N 2.91Å; N287-E290 PolarHBondContact O-N 3.48Å
288	P	51.9	Low	58.9	Low	105 Å²	105	101.1 Å²	101.1	68%	0.682	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-17.4	179.9	-25.1	31.9	0	0	0	114.4
289	L	53.2	Low	58.1	Low	139 Å²	139	101.1 Å²	101.1	73%	0.728	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-37.1	176.9	-75.5	157.7	0	0	0	113.4	N287 Q291 K292	N287-L289 PolarHBondContact O-N 2.91Å; L289-Q291 VanDerWaalsContact C-N 3.29Å; L289-Q291 PolarHBondContact O-N 3.47Å; L289-K292 PolarHBondContact O-N 2.91Å
290	E	52.3	Low	57.9	Low	110 Å²	110	101.8 Å²	101.8	51%	0.514	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-74.6	-21.3	177.7	-73.3	-173.3	132.5	0	0	112.4	T286 N287 K292	T286-E290 HydrophobicContact CG2-CB 4.02Å; T286-E290 WeakPolarHBondContact CG2-OE2 3.5Å; N287-E290 PolarHBondContact O-N 3.48Å; E290-K292 VanDerWaalsContact C-N 3.28Å; E290-K292 PolarHBondContact O-N 3.17Å
291	Q	50.4	Low	58	Low	146 Å²	146	99.1 Å²	99.1	68%	0.682	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-74	-20	176.6	-163.8	169.2	5.2	0	0	112.6	L289	L289-Q291 VanDerWaalsContact C-N 3.29Å; L289-Q291 PolarHBondContact O-N 3.47Å
292	K	47.3	Very low	58.5	Low	182 Å²	182	90.7 Å²	90.7	79%	0.791	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-79.6	-18.8	-175.1	-110	-177.7	177.2	-178.3	0	114.7	L289 E290	L289-K292 PolarHBondContact O-N 2.91Å; E290-K292 VanDerWaalsContact C-N 3.28Å; E290-K292 PolarHBondContact O-N 3.17Å
293	E	50.8	Low	59.6	Low	169 Å²	169	91.9 Å²	91.9	79%	0.79	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-90.5	6.1	-178.9	-68.5	-163.9	152.8	0	0	114.2	Y295	E293-Y295 PolarHBondContact O-N 2.89Å
294	G	45.7	Very low	61.2	Low	66 Å²	66	91.3 Å²	91.3	68%	0.68	48%	0.484	S	S	*	.	S	Bend	trans	64.1	1.1	175.5	0	0	0	0	0	115.3
295	Y	47.9	Very low	62.8	Low	214 Å²	214	90.3 Å²	90.3	84%	0.839	48%	0.482	S	S	*	.			trans	-82.8	-12.7	-174.8	-153.5	-99.6	0	0	0	113.5	E293 A297	E293-Y295 PolarHBondContact O-N 2.89Å; Y295-A297 PolarHBondContact O-N 3.44Å
296	S	50.7	Low	64.8	Low	45 Å²	45	86.2 Å²	86.2	32%	0.315	46%	0.457	S	S	.	.			trans	-100.1	42.8	-178.7	-67.7	0	0	0	0	113.3	G298	S296-G298 WeakPolarHBondContact O-CA 3.22Å; S296-G298 PolarHBondContact O-N 3.05Å
297	A	52.9	Low	66.5	Low	91 Å²	91	92.1 Å²	92.1	75%	0.752	49%	0.487	S	S	*	.	S	Bend	trans	-55.7	104.6	162.1	0	0	0	0	0	107.7	Y295 R299	Y295-A297 PolarHBondContact O-N 3.44Å; A297-R299 PolarHBondContact O-N 2.93Å
298	G	62.4	Low	67.9	Low	37 Å²	37	89.2 Å²	89.2	38%	0.381	49%	0.485	S	S	.	.			trans	-40.8	114.2	-152.6	0	0	0	0	0	115.4	S296 K300	S296-G298 WeakPolarHBondContact O-CA 3.22Å; S296-G298 PolarHBondContact O-N 3.05Å; G298-K300 WeakPolarHBondContact O-CG 3.35Å; G298-K300 PolarHBondContact O-N 3.4Å
299	R	76.9	Confident	69.5	Low	100 Å²	100	86.6 Å²	86.6	38%	0.377	47%	0.465	S	S	.	.			trans	-52.9	122.7	174.6	-74.1	-173.5	-82.8	177	-4.6	109.3	H200 Q282 A297	H200-R299 HydrophobicContact CB-CB 4.41Å; Q282-R299 PolarHBondContact N-O 3.27Å; A297-R299 PolarHBondContact O-N 2.93Å
300	K	87.7	Confident	70.9	Confident	47 Å²	47	83 Å²	83	20%	0.204	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	143.3	178.8	-58.4	-175.8	-179.6	-177.9	0	109.3	H200 W201 D205 Q280 R281 G298	H200-K300 CarbonylContact C-O 3.49Å; H200-K300 WeakPolarHBondContact CA-O 3.31Å; H200-K300 WeakPolarHBondContact CB-O 3.4Å; W201-K300 HydrophobicContact CB-CB 4.43Å; W201-K300 PolarHBondContact N-O 3.27Å; D205-K300 VanDerWaalsContact OD1-CD 3.28Å; D205-K300 WeakPolarHBondContact OD1-CD 3.26Å; D205-K300 IonicContact OD1-NZ 2.72Å; D205-K300 PolarHBondContact OD1-NZ 3Å; D205-K300 IonicContact OD2-NZ 3.3Å; D205-K300 PolarHBondContact OD2-NZ 2.76Å; Q280-K300 CarbonylContact O-C 3.58Å; Q280-K300 WeakPolarHBondContact O-CA 3.47Å; R281-K300 HydrophobicContact CG-CG 4.22Å; G298-K300 WeakPolarHBondContact O-CG 3.35Å; G298-K300 PolarHBondContact O-N 3.4Å
301	L	88.2	Confident	72.7	Confident	16 Å²	16	85.8 Å²	85.8	8%	0.084	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.2	170.4	-67.9	166.5	0	0	0	108.6	F4 H199 T279 Q280	F4-L301 HydrophobicContact CB-CD1 3.74Å; F4-L301 HydrophobicContact CD1-CD1 4.07Å; F4-L301 HydrophobicContact CG-CD1 3.92Å; H199-L301 WeakPolarHBondContact O-CD2 3.02Å; T279-L301 CarbonylContact C-O 3.5Å; T279-L301 VanDerWaalsContact CA-O 3.31Å; T279-L301 WeakPolarHBondContact CA-O 3.45Å; Q280-L301 PolarHBondContact N-O 2.88Å; Q280-L301 PolarHBondContact O-N 2.9Å
302	C	92.1	Very high	74.7	Confident	10 Å²	10	84.2 Å²	84.2	7%	0.068	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	111	170.4	177.6	0	0	0	0	108.2	Q195 W201 C208	Q195-C302 PolarHBondContact NE2-O 3.3Å; W201-C302 HydrophobicContact CB-CB 4.13Å; W201-C302 HydrophobicContact CD2-CB 3.62Å; W201-C302 HydrophobicContact CE3-CB 3.51Å; W201-C302 HydrophobicContact CG-CB 3.91Å; W201-C302 HydrophobicContact CZ3-CB 4.14Å; C208-C302 WeakPolarHBondContact CA-SG 3.32Å; C208-C302 HydrophobicContact CB-CB 3.77Å; C208-C302 WeakPolarHBondContact CB-SG 3.49Å; C208-C302 WeakPolarHBondContact SG-CA 3.37Å; C208-C302 WeakPolarHBondContact SG-CB 3.42Å; C208-C302 CovalentContact SG-SG 2.02Å; C208-C302 PolarHBondContact SG-SG 2.71Å
303	Q	89.8	Confident	76.8	Confident	54 Å²	54	77.1 Å²	77.1	25%	0.252	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	164.3	-177.6	65.5	-176.6	-0.5	0	0	111.6	R278 S305	R278-Q303 PolarHBondContact N-O 3.31Å; R278-Q303 PolarHBondContact O-N 2.72Å; Q303-S305 PolarHBondContact O-N 2.92Å
304	E	89.5	Confident	78.8	Confident	56 Å²	56	69.7 Å²	69.7	26%	0.262	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.5	172.7	-61.4	-172.5	165	0	0	111	Q273 A276 W306	Q273-E304 PolarHBondContact NE2-OE1 2.98Å; A276-E304 CarbonylContact O-C 3.57Å; A276-E304 WeakPolarHBondContact O-CA 3.26Å; E304-W306 PolarHBondContact OE2-NE1 3.31Å
305	S	87.5	Confident	81.1	Confident	29 Å²	29	70.1 Å²	70.1	20%	0.203	37%	0.365	C	S	.	.			trans	-117.3	99.9	-179.7	-178	0	0	0	0	109.2	A276 Q280 Q303	A276-S305 PolarHBondContact O-N 3.37Å; Q280-S305 PolarHBondContact NE2-OG 3.21Å; Q303-S305 PolarHBondContact O-N 2.92Å
306	W	88.1	Confident	83.2	Confident	46 Å²	46	60.9 Å²	60.9	17%	0.174	33%	0.329	C	S	.	.			trans	-101.5	35.3	-177.6	-67.2	90.4	0	0	0	112.8	V272 A276 E304 G308 D309 K312 R313 Y316	V272-W306 HydrophobicContact CG1-CH2 3.92Å; A276-W306 HydrophobicContact CB-CD2 4.46Å; A276-W306 HydrophobicContact CB-CH2 3.95Å; A276-W306 HydrophobicContact CB-CZ2 3.58Å; E304-W306 PolarHBondContact OE2-NE1 3.31Å; W306-G308 PolarHBondContact O-N 2.67Å; W306-D309 WeakPolarHBondContact O-CA 3.36Å; W306-D309 WeakPolarHBondContact O-CB 3.39Å; W306-D309 PolarHBondContact O-N 2.93Å; W306-K312 HydrophobicContact CD2-CB 4.38Å; W306-K312 HydrophobicContact CE3-CB 3.66Å; W306-K312 HydrophobicContact CZ3-CB 4.14Å; W306-R313 HydrophobicContact CB-CB 4.45Å; W306-R313 VanDerWaalsContact CD1-CB 3.43Å; W306-R313 HydrophobicContact CD2-CB 4.18Å; W306-R313 HydrophobicContact CG-CB 3.78Å; W306-R313 HydrophobicContact CG-CG 4.4Å; W306-Y316 AromaticContact CH2-CD1 3.92Å; W306-Y316 HydrophobicContact CH2-CD1 3.92Å; W306-Y316 HydrophobicContact CH2-CD2 4.13Å; W306-Y316 AromaticContact CH2-CG 3.64Å; W306-Y316 HydrophobicContact CH2-CG 3.64Å; W306-Y316 AromaticContact CZ2-CD1 3.43Å; W306-Y316 HydrophobicContact CZ2-CD1 3.43Å; W306-Y316 VanDerWaalsContact CZ2-CD1 3.43Å; W306-Y316 HydrophobicContact CZ2-CD2 4.47Å; W306-Y316 HydrophobicContact CZ2-CE1 4.11Å; W306-Y316 AromaticContact CZ2-CG 3.63Å; W306-Y316 HydrophobicContact CZ2-CG 3.63Å
307	D	83	Confident	85.3	Confident	158 Å²	158	59.5 Å²	59.5	85%	0.845	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	32.4	-179.7	-58.8	-30.8	0	0	0	114.7	D309	D307-D309 VanDerWaalsContact C-N 3.28Å; D307-D309 PolarHBondContact O-N 2.93Å
308	G	77	Confident	87.4	Confident	54 Å²	54	57.4 Å²	57.4	56%	0.557	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	-1.2	-177.4	0	0	0	0	0	115.2	W306 D310	W306-G308 PolarHBondContact O-N 2.67Å; G308-D310 PolarHBondContact O-N 3.03Å
309	D	86.1	Confident	88.9	Confident	50 Å²	50	58.9 Å²	58.9	27%	0.267	30%	0.298	S	S	.	.			trans	-89.7	80.5	178.2	-166.6	-21	0	0	0	110.9	W306 D307 Y311 K312	W306-D309 WeakPolarHBondContact O-CA 3.36Å; W306-D309 WeakPolarHBondContact O-CB 3.39Å; W306-D309 PolarHBondContact O-N 2.93Å; D307-D309 VanDerWaalsContact C-N 3.28Å; D307-D309 PolarHBondContact O-N 2.93Å; D309-Y311 PolarHBondContact O-N 3.08Å; D309-Y311 VanDerWaalsContact O-N 3.16Å; D309-Y311 WeakPolarHBondContact OD1-CB 3.19Å; D309-Y311 PolarHBondContact OD1-N 3.31Å; D309-K312 HydrophobicContact CB-CB 4.39Å; D309-K312 HydrophobicContact CB-CD 4.08Å; D309-K312 HydrophobicContact CB-CG 4.26Å; D309-K312 PolarHBondContact O-N 3.24Å; D309-K312 PolarHBondContact OD1-N 3.33Å; D309-K312 VanDerWaalsContact OD2-CD 3.29Å; D309-K312 WeakPolarHBondContact OD2-CD 3.3Å; D309-K312 WeakPolarHBondContact OD2-CE 3.3Å; D309-K312 WeakPolarHBondContact OD2-CG 3.36Å; D309-K312 IonicContact OD2-NZ 3.79Å; D309-K312 PolarHBondContact OD2-NZ 3.48Å
310	D	83.4	Confident	89.8	Confident	64 Å²	64	55.6 Å²	55.6	34%	0.342	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-20.4	178.3	-72	-54	0	0	0	112.3	M1 G308 R313 S314	M1-D310 PolarHBondContact N-OD2 2.96Å; M1-D310 VanDerWaalsContact N-OD2 3.11Å; G308-D310 PolarHBondContact O-N 3.03Å; D310-R313 IonicContact OD1-CZ 3.29Å; D310-R313 IonicContact OD1-NH1 3.53Å; D310-R313 PolarHBondContact OD1-NH1 3.49Å; D310-R313 IonicContact OD1-NH2 3.01Å; D310-S314 PolarHBondContact O-N 3.18Å; D310-S314 VanDerWaalsContact O-N 3.08Å; D310-S314 PolarHBondContact O-OG 3.44Å
311	Y	89.8	Confident	90.2	Very high	168 Å²	168	55 Å²	55	66%	0.659	29%	0.285	S	S	*	.	H	α-helix	trans	-70.7	-41.1	175.8	178.7	-105.9	0	0	0	112	D309 R313 S314 I315	D309-Y311 PolarHBondContact O-N 3.08Å; D309-Y311 VanDerWaalsContact O-N 3.16Å; D309-Y311 WeakPolarHBondContact OD1-CB 3.19Å; D309-Y311 PolarHBondContact OD1-N 3.31Å; Y311-R313 PolarHBondContact O-N 3.06Å; Y311-S314 PolarHBondContact O-N 3.12Å; Y311-I315 HydrophobicContact CD1-CD1 3.69Å; Y311-I315 HydrophobicContact CE1-CD1 3.2Å; Y311-I315 HydrophobicContact CE1-CG1 4.19Å; Y311-I315 HydrophobicContact CE2-CD1 4.24Å; Y311-I315 HydrophobicContact CE2-CG1 4.42Å; Y311-I315 HydrophobicContact CG-CD1 4.39Å; Y311-I315 WeakPolarHBondContact O-CG1 3.49Å; Y311-I315 PolarHBondContact O-N 3.44Å
312	K	91.7	Very high	90.6	Very high	112 Å²	112	57.9 Å²	57.9	49%	0.487	30%	0.3	S	S	.	.	H	α-helix	trans	-60.6	-43	173.1	-75.2	178.5	-176.9	122.7	0	112.4	W306 D309 S314 I315 Y316	W306-K312 HydrophobicContact CD2-CB 4.38Å; W306-K312 HydrophobicContact CE3-CB 3.66Å; W306-K312 HydrophobicContact CZ3-CB 4.14Å; D309-K312 HydrophobicContact CB-CB 4.39Å; D309-K312 HydrophobicContact CB-CD 4.08Å; D309-K312 HydrophobicContact CB-CG 4.26Å; D309-K312 PolarHBondContact O-N 3.24Å; D309-K312 PolarHBondContact OD1-N 3.33Å; D309-K312 VanDerWaalsContact OD2-CD 3.29Å; D309-K312 WeakPolarHBondContact OD2-CD 3.3Å; D309-K312 WeakPolarHBondContact OD2-CE 3.3Å; D309-K312 WeakPolarHBondContact OD2-CG 3.36Å; D309-K312 IonicContact OD2-NZ 3.79Å; D309-K312 PolarHBondContact OD2-NZ 3.48Å; K312-S314 VanDerWaalsContact C-N 3.35Å; K312-S314 PolarHBondContact O-N 3.25Å; K312-I315 PolarHBondContact O-N 2.85Å; K312-Y316 WeakPolarHBondContact O-CB 3.45Å; K312-Y316 PolarHBondContact O-N 2.89Å
313	R	91.2	Very high	90.8	Very high	33 Å²	33	61.5 Å²	61.5	13%	0.125	32%	0.322	C	S	.	.	H	α-helix	trans	-56.6	-50.4	174.1	-172	175.7	80.4	-136.2	-7.2	110.9	W306 D310 Y311 I315 Y316 T317 D393	W306-R313 HydrophobicContact CB-CB 4.45Å; W306-R313 VanDerWaalsContact CD1-CB 3.43Å; W306-R313 HydrophobicContact CD2-CB 4.18Å; W306-R313 HydrophobicContact CG-CB 3.78Å; W306-R313 HydrophobicContact CG-CG 4.4Å; D310-R313 IonicContact OD1-CZ 3.29Å; D310-R313 IonicContact OD1-NH1 3.53Å; D310-R313 PolarHBondContact OD1-NH1 3.49Å; D310-R313 IonicContact OD1-NH2 3.01Å; Y311-R313 PolarHBondContact O-N 3.06Å; R313-I315 PolarHBondContact O-N 3.2Å; R313-Y316 WeakPolarHBondContact O-CB 3.42Å; R313-Y316 PolarHBondContact O-N 3.37Å; R313-Y316 VanDerWaalsContact O-N 3.08Å; R313-T317 PolarHBondContact O-N 3.24Å; R313-T317 PolarHBondContact O-OG1 3.22Å; R313-T317 VanDerWaalsContact O-OG1 3.14Å; R313-D393 IonicContact CZ-OD1 2.84Å; R313-D393 IonicContact NE-OD1 2.84Å; R313-D393 PolarHBondContact NE-OD1 3.36Å; R313-D393 IonicContact NH2-OD1 3.83Å; R313-D393 PolarHBondContact NH2-OD1 3.34Å
314	S	92.9	Very high	91	Very high	13 Å²	13	59.3 Å²	59.3	9%	0.091	31%	0.312	C	S	.	.	H	α-helix	trans	-61	-43.5	-177.8	-56.3	0	0	0	0	112.4	D310 Y311 K312 Y316 T317 V318	D310-S314 PolarHBondContact O-N 3.18Å; D310-S314 VanDerWaalsContact O-N 3.08Å; D310-S314 PolarHBondContact O-OG 3.44Å; Y311-S314 PolarHBondContact O-N 3.12Å; K312-S314 VanDerWaalsContact C-N 3.35Å; K312-S314 PolarHBondContact O-N 3.25Å; S314-Y316 VanDerWaalsContact C-N 3.33Å; S314-Y316 PolarHBondContact O-N 3Å; S314-T317 PolarHBondContact O-N 3.46Å; S314-V318 WeakPolarHBondContact O-CG2 3.31Å; S314-V318 PolarHBondContact O-N 3.48Å
315	I	93.8	Very high	91.3	Very high	75 Å²	75	57.1 Å²	57.1	39%	0.385	30%	0.301	S	S	.	.	H	α-helix	trans	-58.9	-47.7	173.3	-70.5	166.3	0	0	0	110.2	Y311 K312 R313 T317 V318 V319	Y311-I315 HydrophobicContact CD1-CD1 3.69Å; Y311-I315 HydrophobicContact CE1-CD1 3.2Å; Y311-I315 HydrophobicContact CE1-CG1 4.19Å; Y311-I315 HydrophobicContact CE2-CD1 4.24Å; Y311-I315 HydrophobicContact CE2-CG1 4.42Å; Y311-I315 HydrophobicContact CG-CD1 4.39Å; Y311-I315 WeakPolarHBondContact O-CG1 3.49Å; Y311-I315 PolarHBondContact O-N 3.44Å; K312-I315 PolarHBondContact O-N 2.85Å; R313-I315 PolarHBondContact O-N 3.2Å; I315-T317 PolarHBondContact O-N 2.88Å; I315-V318 PolarHBondContact O-N 2.93Å; I315-V319 HydrophobicContact CG2-CG2 4.19Å; I315-V319 WeakPolarHBondContact O-CG2 3.47Å; I315-V319 PolarHBondContact O-N 3.4Å
316	Y	93.5	Very high	91.8	Very high	21 Å²	21	59.1 Å²	59.1	8%	0.082	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-44.9	-178.5	-178.9	-110.6	0	0	0	111.9	L216 V272 Q273 W306 K312 R313 S314 V318 V319 L320	L216-Y316 VanDerWaalsContact CD2-OH 3.27Å; L216-Y316 WeakPolarHBondContact CD2-OH 3.4Å; V272-Y316 HydrophobicContact CB-CE2 3.78Å; V272-Y316 HydrophobicContact CG1-CD2 4.04Å; V272-Y316 HydrophobicContact CG1-CE2 3.6Å; V272-Y316 HydrophobicContact CG2-CE2 4.23Å; Q273-Y316 WeakPolarHBondContact CG-OH 3.31Å; W306-Y316 AromaticContact CH2-CD1 3.92Å; W306-Y316 HydrophobicContact CH2-CD1 3.92Å; W306-Y316 HydrophobicContact CH2-CD2 4.13Å; W306-Y316 AromaticContact CH2-CG 3.64Å; W306-Y316 HydrophobicContact CH2-CG 3.64Å; W306-Y316 AromaticContact CZ2-CD1 3.43Å; W306-Y316 HydrophobicContact CZ2-CD1 3.43Å; W306-Y316 VanDerWaalsContact CZ2-CD1 3.43Å; W306-Y316 HydrophobicContact CZ2-CD2 4.47Å; W306-Y316 HydrophobicContact CZ2-CE1 4.11Å; W306-Y316 AromaticContact CZ2-CG 3.63Å; W306-Y316 HydrophobicContact CZ2-CG 3.63Å; K312-Y316 WeakPolarHBondContact O-CB 3.45Å; K312-Y316 PolarHBondContact O-N 2.89Å; R313-Y316 WeakPolarHBondContact O-CB 3.42Å; R313-Y316 PolarHBondContact O-N 3.37Å; R313-Y316 VanDerWaalsContact O-N 3.08Å; S314-Y316 VanDerWaalsContact C-N 3.33Å; S314-Y316 PolarHBondContact O-N 3Å; Y316-V318 VanDerWaalsContact C-N 3.32Å; Y316-V318 PolarHBondContact O-N 2.96Å; Y316-V319 PolarHBondContact O-N 3.49Å; Y316-V319 VanDerWaalsContact O-N 3.16Å; Y316-L320 HydrophobicContact CD1-CD1 4.02Å; Y316-L320 HydrophobicContact CD1-CG 4.34Å; Y316-L320 HydrophobicContact CD2-CG 4.47Å; Y316-L320 HydrophobicContact CE1-CD1 3.42Å; Y316-L320 VanDerWaalsContact CE1-CD1 3.42Å; Y316-L320 HydrophobicContact CE1-CD2 4.45Å; Y316-L320 HydrophobicContact CE1-CG 3.99Å; Y316-L320 HydrophobicContact CE2-CD1 4.36Å; Y316-L320 HydrophobicContact CE2-CD2 3.92Å; Y316-L320 HydrophobicContact CE2-CG 4.08Å; Y316-L320 WeakPolarHBondContact O-CG 3.33Å; Y316-L320 PolarHBondContact O-N 3.25Å
317	T	93.8	Very high	92.3	Very high	16 Å²	16	61.4 Å²	61.4	10%	0.098	32%	0.324	C	S	.	.	H	α-helix	trans	-55.1	-45.9	173.3	-60.2	0	0	0	0	111.8	R313 S314 I315 L320 F321 F389 L390 D393	R313-T317 PolarHBondContact O-N 3.24Å; R313-T317 PolarHBondContact O-OG1 3.22Å; R313-T317 VanDerWaalsContact O-OG1 3.14Å; S314-T317 PolarHBondContact O-N 3.46Å; I315-T317 PolarHBondContact O-N 2.88Å; T317-L320 PolarHBondContact O-N 3.45Å; T317-F321 WeakPolarHBondContact O-CB 3.39Å; T317-F321 PolarHBondContact O-N 3.13Å; T317-F389 HydrophobicContact CG2-CB 3.88Å; T317-L390 HydrophobicContact CG2-CD2 4.04Å; T317-L390 HydrophobicContact CG2-CG 4.39Å; T317-D393 WeakPolarHBondContact CB-OD2 3.39Å; T317-D393 PolarHBondContact OG1-OD2 3.3Å
318	V	96.4	Very high	93	Very high	47 Å²	47	54.1 Å²	54.1	29%	0.285	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-43.6	177	173.2	0	0	0	0	111.4	S314 I315 Y316 L320 F321 L322 L390 F394	S314-V318 WeakPolarHBondContact O-CG2 3.31Å; S314-V318 PolarHBondContact O-N 3.48Å; I315-V318 PolarHBondContact O-N 2.93Å; Y316-V318 VanDerWaalsContact C-N 3.32Å; Y316-V318 PolarHBondContact O-N 2.96Å; V318-L320 PolarHBondContact O-N 3.13Å; V318-F321 PolarHBondContact O-N 3.06Å; V318-L322 HydrophobicContact CG1-CD1 3.95Å; V318-L322 HydrophobicContact CG1-CG 4.33Å; V318-L322 VanDerWaalsContact O-CG 3.32Å; V318-L322 WeakPolarHBondContact O-CG 3.44Å; V318-L322 PolarHBondContact O-N 3.32Å; V318-L390 HydrophobicContact CG2-CD2 4.13Å; V318-F394 HydrophobicContact CG2-CE2 3.61Å; V318-F394 HydrophobicContact CG2-CZ 3.65Å
319	V	95.8	Very high	93.9	Very high	68 Å²	68	53 Å²	53	41%	0.412	27%	0.266	S	S	.	.	H	α-helix	trans	-60.4	-46.4	177.5	170.5	0	0	0	0	110.8	I315 Y316 L322 V323	I315-V319 HydrophobicContact CG2-CG2 4.19Å; I315-V319 WeakPolarHBondContact O-CG2 3.47Å; I315-V319 PolarHBondContact O-N 3.4Å; Y316-V319 PolarHBondContact O-N 3.49Å; Y316-V319 VanDerWaalsContact O-N 3.16Å; V319-L322 PolarHBondContact O-N 2.85Å; V319-V323 HydrophobicContact CG1-CG2 4.15Å; V319-V323 WeakPolarHBondContact O-CB 3.33Å; V319-V323 WeakPolarHBondContact O-CG2 3.44Å; V319-V323 PolarHBondContact O-N 3.47Å
320	L	94.7	Very high	94.5	Very high	31 Å²	31	52.2 Å²	52.2	16%	0.162	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-44.7	176.3	-66.2	-172.7	0	0	0	111.6	L216 Y316 T317 V318 L322 I324	L216-L320 HydrophobicContact CD1-CD1 4.18Å; L216-L320 HydrophobicContact CD1-CD2 4.28Å; L216-L320 HydrophobicContact CD2-CD1 4.31Å; L216-L320 HydrophobicContact CD2-CD2 4.08Å; Y316-L320 HydrophobicContact CD1-CD1 4.02Å; Y316-L320 HydrophobicContact CD1-CG 4.34Å; Y316-L320 HydrophobicContact CD2-CG 4.47Å; Y316-L320 HydrophobicContact CE1-CD1 3.42Å; Y316-L320 VanDerWaalsContact CE1-CD1 3.42Å; Y316-L320 HydrophobicContact CE1-CD2 4.45Å; Y316-L320 HydrophobicContact CE1-CG 3.99Å; Y316-L320 HydrophobicContact CE2-CD1 4.36Å; Y316-L320 HydrophobicContact CE2-CD2 3.92Å; Y316-L320 HydrophobicContact CE2-CG 4.08Å; Y316-L320 WeakPolarHBondContact O-CG 3.33Å; Y316-L320 PolarHBondContact O-N 3.25Å; T317-L320 PolarHBondContact O-N 3.45Å; V318-L320 PolarHBondContact O-N 3.13Å; L320-L322 VanDerWaalsContact C-N 3.3Å; L320-L322 PolarHBondContact O-N 3.35Å; L320-I324 HydrophobicContact CB-CD1 4.33Å; L320-I324 HydrophobicContact CD2-CD1 3.64Å; L320-I324 HydrophobicContact CG-CD1 4.49Å; L320-I324 VanDerWaalsContact O-CB 3.28Å; L320-I324 WeakPolarHBondContact O-CB 3.32Å; L320-I324 PolarHBondContact O-N 3.5Å
321	F	96.2	Very high	95.2	Very high	35 Å²	35	52.1 Å²	52.1	15%	0.154	27%	0.269	C	S	.	.	I	π-helix	trans	-58.9	-40.8	176.9	179.1	-120.5	0	0	0	112.3	T317 V318 Y325 I326 H386 L390	T317-F321 WeakPolarHBondContact O-CB 3.39Å; T317-F321 PolarHBondContact O-N 3.13Å; V318-F321 PolarHBondContact O-N 3.06Å; F321-Y325 AromaticContact CD2-CD1 3.84Å; F321-Y325 HydrophobicContact CD2-CD1 3.84Å; F321-Y325 HydrophobicContact CD2-CG 4.47Å; F321-Y325 AromaticContact CE2-CD1 3.47Å; F321-Y325 HydrophobicContact CE2-CD1 3.47Å; F321-Y325 VanDerWaalsContact CE2-CD1 3.47Å; F321-Y325 AromaticContact CE2-CE1 3.93Å; F321-Y325 HydrophobicContact CE2-CE1 3.93Å; F321-Y325 HydrophobicContact CE2-CG 4.46Å; F321-Y325 HydrophobicContact CZ-CD1 4.35Å; F321-Y325 VanDerWaalsContact O-CB 3.3Å; F321-Y325 WeakPolarHBondContact O-CB 3.44Å; F321-Y325 PolarHBondContact O-N 2.82Å; F321-I326 HydrophobicContact CD1-CG1 3.92Å; F321-I326 HydrophobicContact CD2-CG1 4.28Å; F321-I326 HydrophobicContact CE1-CD1 3.94Å; F321-I326 HydrophobicContact CE1-CG1 3.53Å; F321-I326 HydrophobicContact CE2-CD1 4Å; F321-I326 HydrophobicContact CE2-CG1 3.94Å; F321-I326 HydrophobicContact CG-CG1 4.31Å; F321-I326 HydrophobicContact CZ-CD1 3.53Å; F321-I326 HydrophobicContact CZ-CG1 3.56Å; F321-I326 PolarHBondContact O-N 3.29Å; F321-H386 HydrophobicContact CD2-CB 3.58Å; F321-H386 AromaticContact CD2-CG 3.75Å; F321-H386 AromaticContact CD2-ND1 3.94Å; F321-H386 HydrophobicContact CE2-CB 3.78Å; F321-L390 HydrophobicContact CD1-CD1 3.77Å; F321-L390 HydrophobicContact CD2-CD1 4.07Å; F321-L390 HydrophobicContact CE1-CD1 3.78Å; F321-L390 HydrophobicContact CE2-CD1 4.06Å; F321-L390 HydrophobicContact CG-CD1 3.89Å; F321-L390 HydrophobicContact CZ-CD1 3.9Å
322	L	97.2	Very high	95.5	Very high	76 Å²	76	44.1 Å²	44.1	40%	0.398	24%	0.237	S	C	.	.	I	π-helix	trans	-73.2	-51.4	178.5	-67	176.6	0	0	0	112.3	V318 V319 L320 I326 I327	V318-L322 HydrophobicContact CG1-CD1 3.95Å; V318-L322 HydrophobicContact CG1-CG 4.33Å; V318-L322 VanDerWaalsContact O-CG 3.32Å; V318-L322 WeakPolarHBondContact O-CG 3.44Å; V318-L322 PolarHBondContact O-N 3.32Å; V319-L322 PolarHBondContact O-N 2.85Å; L320-L322 VanDerWaalsContact C-N 3.3Å; L320-L322 PolarHBondContact O-N 3.35Å; L322-I326 HydrophobicContact CD2-CB 4.25Å; L322-I326 HydrophobicContact CD2-CG1 4.43Å; L322-I326 HydrophobicContact CD2-CG2 4.37Å; L322-I326 PolarHBondContact O-N 2.88Å; L322-I327 WeakPolarHBondContact O-CB 3.29Å; L322-I327 WeakPolarHBondContact O-CG1 3.5Å; L322-I327 PolarHBondContact O-N 2.9Å
323	V	95	Very high	95.7	Very high	85 Å²	85	42.8 Å²	42.8	52%	0.515	24%	0.239	S	C	.	.	I	π-helix	trans	-77	-38.1	-169.7	174.6	0	0	0	0	112.6	V319 P328	V319-V323 HydrophobicContact CG1-CG2 4.15Å; V319-V323 WeakPolarHBondContact O-CB 3.33Å; V319-V323 WeakPolarHBondContact O-CG2 3.44Å; V319-V323 PolarHBondContact O-N 3.47Å; V323-P328 WeakPolarHBondContact O-CD 3.45Å; V323-P328 WeakPolarHBondContact O-CG 3.15Å
324	I	94.6	Very high	96	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.046	26%	0.26	C	S	.	.	I	π-helix	trans	-92.3	-27.5	-175.7	-59.8	175.7	0	0	0	111.4	L216 V219 T220 S223 L320	L216-I324 HydrophobicContact CD1-CD1 3.41Å; L216-I324 VanDerWaalsContact CD1-CD1 3.41Å; L216-I324 HydrophobicContact CG-CD1 4.23Å; V219-I324 HydrophobicContact CG1-CG2 4.29Å; V219-I324 HydrophobicContact CG2-CG2 4.1Å; T220-I324 HydrophobicContact CG2-CG1 4.49Å; T220-I324 WeakPolarHBondContact OG1-CD1 3.42Å; S223-I324 WeakPolarHBondContact CB-O 3.36Å; S223-I324 PolarHBondContact OG-O 3.07Å; L320-I324 HydrophobicContact CB-CD1 4.33Å; L320-I324 HydrophobicContact CD2-CD1 3.64Å; L320-I324 HydrophobicContact CG-CD1 4.49Å; L320-I324 VanDerWaalsContact O-CB 3.28Å; L320-I324 WeakPolarHBondContact O-CB 3.32Å; L320-I324 PolarHBondContact O-N 3.5Å
325	Y	96.6	Very high	96.1	Very high	9 Å²	9	44.9 Å²	44.9	4%	0.035	26%	0.258	C	S	.	.	I	π-helix	trans	-117.7	-69.3	-171.8	-174.2	-101.8	0	0	0	113.7	F321 P328 L329 F378 G379 W382 L383 H386	F321-Y325 AromaticContact CD2-CD1 3.84Å; F321-Y325 HydrophobicContact CD2-CD1 3.84Å; F321-Y325 HydrophobicContact CD2-CG 4.47Å; F321-Y325 AromaticContact CE2-CD1 3.47Å; F321-Y325 HydrophobicContact CE2-CD1 3.47Å; F321-Y325 VanDerWaalsContact CE2-CD1 3.47Å; F321-Y325 AromaticContact CE2-CE1 3.93Å; F321-Y325 HydrophobicContact CE2-CE1 3.93Å; F321-Y325 HydrophobicContact CE2-CG 4.46Å; F321-Y325 HydrophobicContact CZ-CD1 4.35Å; F321-Y325 VanDerWaalsContact O-CB 3.3Å; F321-Y325 WeakPolarHBondContact O-CB 3.44Å; F321-Y325 PolarHBondContact O-N 2.82Å; Y325-P328 WeakPolarHBondContact O-CD 3.32Å; Y325-L329 HydrophobicContact CE1-CD2 4.07Å; Y325-L329 HydrophobicContact CE2-CD2 4.06Å; Y325-L329 WeakPolarHBondContact O-CB 3.35Å; Y325-L329 PolarHBondContact O-N 3.04Å; Y325-L329 WeakPolarHBondContact OH-CD2 3.25Å; Y325-F378 HydrophobicContact CD2-CE1 4.34Å; Y325-G379 PolarHBondContact OH-O 2.69Å; Y325-W382 HydrophobicContact CD2-CB 4.04Å; Y325-W382 HydrophobicContact CE2-CB 3.93Å; Y325-L383 HydrophobicContact CE1-CD1 4.01Å; Y325-L383 WeakPolarHBondContact OH-CB 3.45Å; Y325-H386 WeakPolarHBondContact CB-NE2 3.41Å; Y325-H386 AromaticContact CD2-CD2 3.54Å; Y325-H386 AromaticContact CD2-NE2 3.79Å; Y325-H386 AromaticContact CG-CD2 3.48Å; Y325-H386 VanDerWaalsContact CG-CD2 3.48Å; Y325-H386 AromaticContact CG-NE2 3.73Å
326	I	97.7	Very high	96.2	Very high	71 Å²	71	41.8 Å²	41.8	36%	0.364	24%	0.242	S	C	.	.	I	π-helix	trans	-62.8	-50.9	-170.8	-66.6	-63.4	0	0	0	113.2	F321 L322 L329 G330	F321-I326 HydrophobicContact CD1-CG1 3.92Å; F321-I326 HydrophobicContact CD2-CG1 4.28Å; F321-I326 HydrophobicContact CE1-CD1 3.94Å; F321-I326 HydrophobicContact CE1-CG1 3.53Å; F321-I326 HydrophobicContact CE2-CD1 4Å; F321-I326 HydrophobicContact CE2-CG1 3.94Å; F321-I326 HydrophobicContact CG-CG1 4.31Å; F321-I326 HydrophobicContact CZ-CD1 3.53Å; F321-I326 HydrophobicContact CZ-CG1 3.56Å; F321-I326 PolarHBondContact O-N 3.29Å; L322-I326 HydrophobicContact CD2-CB 4.25Å; L322-I326 HydrophobicContact CD2-CG1 4.43Å; L322-I326 HydrophobicContact CD2-CG2 4.37Å; L322-I326 PolarHBondContact O-N 2.88Å; I326-L329 PolarHBondContact O-N 3.45Å; I326-G330 PolarHBondContact O-N 3.29Å
327	I	97.5	Very high	96.2	Very high	95 Å²	95	42.8 Å²	42.8	49%	0.487	26%	0.259	S	S	.	.	H	α-helix	trans	-64.3	-51.7	-178.5	-66	167	0	0	0	110.5	L322 L329 G330 I331	L322-I327 WeakPolarHBondContact O-CB 3.29Å; L322-I327 WeakPolarHBondContact O-CG1 3.5Å; L322-I327 PolarHBondContact O-N 2.9Å; I327-L329 PolarHBondContact O-N 3.4Å; I327-G330 PolarHBondContact O-N 2.88Å; I327-I331 HydrophobicContact CG2-CD1 4.02Å; I327-I331 WeakPolarHBondContact O-CG1 3.41Å; I327-I331 PolarHBondContact O-N 3.28Å
328	P	97.5	Very high	96.3	Very high	4 Å²	4	47.1 Å²	47.1	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-56.7	-47.1	174.9	-30.8	39.7	0	0	0	113.7	S223 T227 V323 Y325 G330 I331 Q332	S223-P328 WeakPolarHBondContact OG-CB 3.3Å; S223-P328 WeakPolarHBondContact OG-CG 3.18Å; T227-P328 WeakPolarHBondContact OG1-CB 3.45Å; V323-P328 WeakPolarHBondContact O-CD 3.45Å; V323-P328 WeakPolarHBondContact O-CG 3.15Å; Y325-P328 WeakPolarHBondContact O-CD 3.32Å; P328-G330 VanDerWaalsContact C-N 3.33Å; P328-G330 PolarHBondContact O-N 2.94Å; P328-I331 PolarHBondContact O-N 3.13Å; P328-Q332 VanDerWaalsContact C-NE2 3.31Å; P328-Q332 WeakPolarHBondContact O-CB 3.46Å; P328-Q332 WeakPolarHBondContact O-CG 3.44Å; P328-Q332 PolarHBondContact O-N 2.88Å; P328-Q332 PolarHBondContact O-NE2 3.28Å
329	L	97.3	Very high	96.1	Very high	30 Å²	30	44.9 Å²	44.9	16%	0.157	26%	0.261	C	S	.	.	H	α-helix	trans	-66.6	-37	-178.2	-172.8	66.5	0	0	0	111.4	Y325 I326 I327 Q332 T333 V375	Y325-L329 HydrophobicContact CE1-CD2 4.07Å; Y325-L329 HydrophobicContact CE2-CD2 4.06Å; Y325-L329 WeakPolarHBondContact O-CB 3.35Å; Y325-L329 PolarHBondContact O-N 3.04Å; Y325-L329 WeakPolarHBondContact OH-CD2 3.25Å; I326-L329 PolarHBondContact O-N 3.45Å; I327-L329 PolarHBondContact O-N 3.4Å; L329-Q332 PolarHBondContact O-N 3.31Å; L329-T333 VanDerWaalsContact O-CB 3.28Å; L329-T333 WeakPolarHBondContact O-CB 3.17Å; L329-T333 PolarHBondContact O-N 3.37Å; L329-T333 PolarHBondContact O-OG1 2.88Å; L329-V375 HydrophobicContact CD1-CG1 4.03Å
330	G	97.8	Very high	95.9	Very high	35 Å²	35	43.2 Å²	43.2	36%	0.361	25%	0.252	S	S	.	.	H	α-helix	trans	-61.5	-45.3	173.9	0	0	0	0	0	112.4	I326 I327 P328 S334	I326-G330 PolarHBondContact O-N 3.29Å; I327-G330 PolarHBondContact O-N 2.88Å; P328-G330 VanDerWaalsContact C-N 3.33Å; P328-G330 PolarHBondContact O-N 2.94Å; G330-S334 VanDerWaalsContact O-CB 3.28Å; G330-S334 WeakPolarHBondContact O-CB 3.2Å; G330-S334 PolarHBondContact O-N 3.47Å; G330-S334 PolarHBondContact O-OG 3.22Å
331	I	98	Very high	95.7	Very high	61 Å²	61	48.4 Å²	48.4	31%	0.313	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-48.1	175.1	-65.3	165.6	0	0	0	110.4	T227 L231 I327 P328 S334 T335	T227-I331 HydrophobicContact CG2-CB 4.12Å; T227-I331 HydrophobicContact CG2-CD1 4.08Å; T227-I331 HydrophobicContact CG2-CG2 3.74Å; L231-I331 HydrophobicContact CD1-CG2 4.45Å; L231-I331 HydrophobicContact CD2-CG2 3.95Å; L231-I331 HydrophobicContact CG-CG2 4.15Å; I327-I331 HydrophobicContact CG2-CD1 4.02Å; I327-I331 WeakPolarHBondContact O-CG1 3.41Å; I327-I331 PolarHBondContact O-N 3.28Å; P328-I331 PolarHBondContact O-N 3.13Å; I331-S334 PolarHBondContact O-N 2.96Å; I331-T335 HydrophobicContact CG2-CG2 4.1Å; I331-T335 WeakPolarHBondContact O-CB 3.46Å; I331-T335 WeakPolarHBondContact O-CG2 3.2Å; I331-T335 PolarHBondContact O-N 2.81Å; I331-T335 PolarHBondContact O-OG1 2.9Å
332	Q	97	Very high	95.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-44.6	-179	-69	167.6	66.3	0	0	111.9	T227 P328 L329 T335 Y336 V375	T227-Q332 PolarHBondContact OG1-NE2 2.86Å; P328-Q332 VanDerWaalsContact C-NE2 3.31Å; P328-Q332 WeakPolarHBondContact O-CB 3.46Å; P328-Q332 WeakPolarHBondContact O-CG 3.44Å; P328-Q332 PolarHBondContact O-N 2.88Å; P328-Q332 PolarHBondContact O-NE2 3.28Å; L329-Q332 PolarHBondContact O-N 3.31Å; Q332-T335 WeakPolarHBondContact CA-OG1 3.5Å; Q332-T335 PolarHBondContact O-OG1 3.47Å; Q332-Y336 WeakPolarHBondContact O-CD2 3.34Å; Q332-Y336 PolarHBondContact O-N 3.31Å; Q332-V375 HydrophobicContact CB-CG1 3.59Å; Q332-V375 HydrophobicContact CB-CG2 4.13Å; Q332-V375 HydrophobicContact CG-CG1 4.41Å; Q332-V375 HydrophobicContact CG-CG2 4.33Å
333	T	96.2	Very high	95	Very high	84 Å²	84	48.1 Å²	48.1	52%	0.515	27%	0.267	S	S	.	.	H	α-helix	trans	-65.1	-45.2	179.2	-56.6	0	0	0	0	111.1	L329 G337	L329-T333 VanDerWaalsContact O-CB 3.28Å; L329-T333 WeakPolarHBondContact O-CB 3.17Å; L329-T333 PolarHBondContact O-N 3.37Å; L329-T333 PolarHBondContact O-OG1 2.88Å; T333-G337 PolarHBondContact O-N 3.45Å
334	S	96.3	Very high	94.6	Very high	83 Å²	83	50.9 Å²	50.9	58%	0.58	27%	0.268	S	S	*	.	H	α-helix	trans	-63.9	-44.8	179	-57.9	0	0	0	0	112	G330 I331 Y338	G330-S334 VanDerWaalsContact O-CB 3.28Å; G330-S334 WeakPolarHBondContact O-CB 3.2Å; G330-S334 PolarHBondContact O-N 3.47Å; G330-S334 PolarHBondContact O-OG 3.22Å; I331-S334 PolarHBondContact O-N 2.96Å; S334-Y338 WeakPolarHBondContact O-CB 3.38Å; S334-Y338 PolarHBondContact O-N 2.91Å
335	T	95.9	Very high	94.1	Very high	8 Å²	8	55.3 Å²	55.3	5%	0.049	29%	0.292	C	S	.	.	H	α-helix	trans	-64.3	-50.5	179.1	54.9	0	0	0	0	111.3	S230 L231 L234 I331 Q332 G337 Y338 I339	S230-T335 VanDerWaalsContact CB-OG1 3.23Å; S230-T335 WeakPolarHBondContact CB-OG1 3.45Å; S230-T335 PolarHBondContact OG-OG1 3.33Å; L231-T335 HydrophobicContact CD2-CG2 3.9Å; L234-T335 HydrophobicContact CB-CG2 4.48Å; L234-T335 HydrophobicContact CD2-CG2 3.86Å; I331-T335 HydrophobicContact CG2-CG2 4.1Å; I331-T335 WeakPolarHBondContact O-CB 3.46Å; I331-T335 WeakPolarHBondContact O-CG2 3.2Å; I331-T335 PolarHBondContact O-N 2.81Å; I331-T335 PolarHBondContact O-OG1 2.9Å; Q332-T335 WeakPolarHBondContact CA-OG1 3.5Å; Q332-T335 PolarHBondContact O-OG1 3.47Å; T335-G337 PolarHBondContact O-N 2.85Å; T335-Y338 PolarHBondContact O-N 3.37Å; T335-I339 WeakPolarHBondContact O-CB 3.35Å; T335-I339 WeakPolarHBondContact O-CD1 3.06Å; T335-I339 WeakPolarHBondContact O-CG1 3.46Å; T335-I339 PolarHBondContact O-N 3.19Å
336	Y	95	Very high	93.3	Very high	9 Å²	9	61.5 Å²	61.5	4%	0.035	32%	0.315	C	S	.	.	H	α-helix	trans	-68.5	-32.3	178.9	-74.2	-59.8	0	0	0	113.1	S230 Q332 I339 S340 I368 L371 A372 V375	S230-Y336 WeakPolarHBondContact CA-OH 3.16Å; S230-Y336 VanDerWaalsContact CB-CE2 3.47Å; Q332-Y336 WeakPolarHBondContact O-CD2 3.34Å; Q332-Y336 PolarHBondContact O-N 3.31Å; Y336-I339 HydrophobicContact CD1-CD1 4.32Å; Y336-S340 VanDerWaalsContact O-CB 3.23Å; Y336-S340 WeakPolarHBondContact O-CB 3.38Å; Y336-S340 PolarHBondContact O-N 2.88Å; Y336-S340 PolarHBondContact O-OG 3.49Å; Y336-I368 HydrophobicContact CD1-CG2 4.21Å; Y336-I368 HydrophobicContact CE1-CD1 4.39Å; Y336-L371 HydrophobicContact CE1-CB 3.71Å; Y336-L371 HydrophobicContact CE1-CD1 4.33Å; Y336-L371 WeakPolarHBondContact OH-CB 3.13Å; Y336-A372 HydrophobicContact CD1-CB 4.45Å; Y336-A372 HydrophobicContact CG-CB 4.27Å; Y336-V375 HydrophobicContact CD2-CB 4.42Å; Y336-V375 HydrophobicContact CD2-CG2 3.93Å; Y336-V375 HydrophobicContact CE2-CB 4.41Å; Y336-V375 HydrophobicContact CE2-CG2 3.47Å; Y336-V375 VanDerWaalsContact CE2-CG2 3.47Å
337	G	94.5	Very high	92	Very high	43 Å²	43	67.3 Å²	67.3	44%	0.443	34%	0.338	S	S	.	.	H	α-helix	trans	-60.2	-53	171.4	0	0	0	0	0	111.7	T333 T335 I339 S340 F341	T333-G337 PolarHBondContact O-N 3.45Å; T335-G337 PolarHBondContact O-N 2.85Å; G337-I339 PolarHBondContact O-N 3.08Å; G337-S340 PolarHBondContact O-N 3.29Å; G337-F341 PolarHBondContact O-N 2.82Å
338	Y	95	Very high	90.6	Very high	107 Å²	107	64.3 Å²	64.3	42%	0.42	32%	0.324	S	S	.	.	H	α-helix	trans	-60.1	-45.6	176.7	176.4	-91.9	0	0	0	112.4	L234 I238 S334 T335 S340 F341 R342	L234-Y338 HydrophobicContact CD1-CD1 3.35Å; L234-Y338 HydrophobicContact CD1-CE1 3.75Å; L234-Y338 HydrophobicContact CD1-CG 4.34Å; I238-Y338 HydrophobicContact CD1-CE1 4.26Å; I238-Y338 HydrophobicContact CG1-CE1 4.14Å; S334-Y338 WeakPolarHBondContact O-CB 3.38Å; S334-Y338 PolarHBondContact O-N 2.91Å; T335-Y338 PolarHBondContact O-N 3.37Å; Y338-S340 VanDerWaalsContact C-N 3.32Å; Y338-S340 PolarHBondContact O-N 2.93Å; Y338-F341 PolarHBondContact O-N 2.84Å; Y338-R342 WeakPolarHBondContact O-CB 3.49Å; Y338-R342 PolarHBondContact O-N 2.7Å; Y338-R342 PolarHBondContact OH-NH1 3.47Å
339	I	92.4	Very high	89.1	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-59.9	-44.6	178.3	-72.2	169.4	0	0	0	110.7	R233 L234 I237 T335 Y336 G337 R342 L343 I368	R233-I339 HydrophobicContact CB-CD1 3.81Å; L234-I339 HydrophobicContact CB-CD1 4.11Å; L234-I339 HydrophobicContact CB-CG1 4.49Å; L234-I339 HydrophobicContact CD1-CD1 4.48Å; L234-I339 HydrophobicContact CD1-CG1 3.99Å; I237-I339 HydrophobicContact CD1-CB 4.1Å; I237-I339 HydrophobicContact CD1-CD1 4.32Å; I237-I339 HydrophobicContact CD1-CG1 3.84Å; I237-I339 HydrophobicContact CD1-CG2 3.36Å; T335-I339 WeakPolarHBondContact O-CB 3.35Å; T335-I339 WeakPolarHBondContact O-CD1 3.06Å; T335-I339 WeakPolarHBondContact O-CG1 3.46Å; T335-I339 PolarHBondContact O-N 3.19Å; Y336-I339 HydrophobicContact CD1-CD1 4.32Å; G337-I339 PolarHBondContact O-N 3.08Å; I339-R342 PolarHBondContact O-N 2.9Å; I339-L343 HydrophobicContact CG2-CD1 3.6Å; I339-L343 HydrophobicContact CG2-CG 4.31Å; I339-L343 VanDerWaalsContact O-CB 3.31Å; I339-L343 WeakPolarHBondContact O-CB 3.11Å; I339-L343 WeakPolarHBondContact O-CG 3.26Å; I339-L343 PolarHBondContact O-N 3.36Å; I339-I368 HydrophobicContact CG2-CB 4.36Å; I339-I368 HydrophobicContact CG2-CD1 3.93Å; I339-I368 HydrophobicContact CG2-CG1 3.83Å; I339-I368 HydrophobicContact CG2-CG2 3.6Å
340	S	91.3	Very high	87.3	Confident	33 Å²	33	69.3 Å²	69.3	23%	0.231	37%	0.366	C	S	.	.	H	α-helix	trans	-64.7	-48.1	179.8	-59.9	0	0	0	0	110.5	Y336 G337 Y338 R342 L343 W344	Y336-S340 VanDerWaalsContact O-CB 3.23Å; Y336-S340 WeakPolarHBondContact O-CB 3.38Å; Y336-S340 PolarHBondContact O-N 2.88Å; Y336-S340 PolarHBondContact O-OG 3.49Å; G337-S340 PolarHBondContact O-N 3.29Å; Y338-S340 VanDerWaalsContact C-N 3.32Å; Y338-S340 PolarHBondContact O-N 2.93Å; S340-R342 VanDerWaalsContact C-N 3.34Å; S340-R342 PolarHBondContact O-N 3.44Å; S340-L343 PolarHBondContact O-N 3.46Å; S340-W344 PolarHBondContact O-N 3.12Å
341	F	91.6	Very high	85.5	Confident	139 Å²	139	74.9 Å²	74.9	61%	0.61	38%	0.383	S	S	*	.	H	α-helix	trans	-54.6	-49.1	175.3	179.1	-101.4	0	0	0	112.2	G337 Y338 L343 W344 N345	G337-F341 PolarHBondContact O-N 2.82Å; Y338-F341 PolarHBondContact O-N 2.84Å; F341-L343 PolarHBondContact O-N 3.29Å; F341-W344 PolarHBondContact O-N 3.29Å; F341-N345 WeakPolarHBondContact CE2-ND2 3.43Å; F341-N345 WeakPolarHBondContact CZ-ND2 3.18Å; F341-N345 PolarHBondContact O-N 3.11Å; F341-N345 PolarHBondContact O-ND2 3.36Å
342	R	90.1	Very high	83.5	Confident	99 Å²	99	76.1 Å²	76.1	37%	0.374	40%	0.397	S	S	.	.	H	α-helix	trans	-68.3	-36.1	-178.2	-170	173.3	178.4	179.2	-2.9	113.3	I237 Y338 I339 S340	I237-R342 HydrophobicContact CG2-CG 4.49Å; Y338-R342 WeakPolarHBondContact O-CB 3.49Å; Y338-R342 PolarHBondContact O-N 2.7Å; Y338-R342 PolarHBondContact OH-NH1 3.47Å; I339-R342 PolarHBondContact O-N 2.9Å; S340-R342 VanDerWaalsContact C-N 3.34Å; S340-R342 PolarHBondContact O-N 3.44Å
343	L	86.9	Confident	82	Confident	7 Å²	7	79.6 Å²	79.6	4%	0.037	42%	0.415	C	S	.	.	H	α-helix	trans	-75.3	-32.6	179.5	-77.6	173.4	0	0	0	112.7	I237 I339 S340 F341 K365 I368	I237-L343 HydrophobicContact CD1-CD1 4.03Å; I237-L343 HydrophobicContact CD1-CG 4.24Å; I339-L343 HydrophobicContact CG2-CD1 3.6Å; I339-L343 HydrophobicContact CG2-CG 4.31Å; I339-L343 VanDerWaalsContact O-CB 3.31Å; I339-L343 WeakPolarHBondContact O-CB 3.11Å; I339-L343 WeakPolarHBondContact O-CG 3.26Å; I339-L343 PolarHBondContact O-N 3.36Å; S340-L343 PolarHBondContact O-N 3.46Å; F341-L343 PolarHBondContact O-N 3.29Å; L343-K365 HydrophobicContact CB-CG 4.33Å; L343-K365 WeakPolarHBondContact O-CE 2.93Å; L343-K365 PolarHBondContact O-NZ 3.06Å; L343-I368 HydrophobicContact CD1-CB 4.29Å; L343-I368 HydrophobicContact CD1-CG1 3.75Å; L343-I368 HydrophobicContact CD1-CG2 4.39Å
344	W	86.9	Confident	80.6	Confident	142 Å²	142	78.9 Å²	78.9	54%	0.538	40%	0.404	S	S	.	.	H	α-helix	trans	-75.2	-32.5	177.3	-94.7	-101	0	0	0	112.8	S340 F341 R346	S340-W344 PolarHBondContact O-N 3.12Å; F341-W344 PolarHBondContact O-N 3.29Å; W344-R346 VanDerWaalsContact C-N 3.3Å; W344-R346 PolarHBondContact O-N 3.04Å
345	N	84.2	Confident	79.4	Confident	103 Å²	103	77 Å²	77	55%	0.551	40%	0.398	S	S	*	.	S	Bend	trans	-82.5	-1.4	178.3	-67.7	-15.3	0	0	0	114.6	F341 K347	F341-N345 WeakPolarHBondContact CE2-ND2 3.43Å; F341-N345 WeakPolarHBondContact CZ-ND2 3.18Å; F341-N345 PolarHBondContact O-N 3.11Å; F341-N345 PolarHBondContact O-ND2 3.36Å; N345-K347 PolarHBondContact O-N 3.07Å
346	R	79.4	Confident	78.3	Confident	138 Å²	138	77.3 Å²	77.3	52%	0.521	40%	0.4	S	S	.	.			trans	-79.1	114.2	-178.9	-173.7	174.3	174.7	151.2	0.9	111.3	W344 I361	W344-R346 VanDerWaalsContact C-N 3.3Å; W344-R346 PolarHBondContact O-N 3.04Å; R346-I361 HydrophobicContact CG-CD1 4.36Å
347	K	71.7	Confident	77.1	Confident	194 Å²	194	79 Å²	79	84%	0.843	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-88.8	139.1	166.7	-62.6	-176.9	-179.6	-179.6	0	110.1	N345	N345-K347 PolarHBondContact O-N 3.07Å
348	T	67	Low	76.3	Confident	32 Å²	32	79.7 Å²	79.7	20%	0.196	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-83.5	124.5	177.1	37.1	0	0	0	0	110.9	E357 D358 I361	T348-E357 HydrophobicContact CG2-CB 3.78Å; T348-D358 WeakPolarHBondContact CB-OD1 3.31Å; T348-D358 WeakPolarHBondContact CG2-OD1 3.44Å; T348-D358 PolarHBondContact OG1-OD1 3.1Å; T348-I361 HydrophobicContact CG2-CD1 3.34Å
349	P	66.6	Low	75.3	Confident	93 Å²	93	76.8 Å²	76.8	60%	0.604	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-82.3	137.1	175.6	31.5	-31.9	0	0	0	112.1
350	G	59.8	Low	74.4	Confident	45 Å²	45	81 Å²	81	46%	0.464	41%	0.409	S	S	.	.			trans	87.4	117.5	164.5	0	0	0	0	0	117	S352 I353 K354	G350-S352 PolarHBondContact O-N 2.94Å; G350-I353 PolarHBondContact O-N 3.5Å; G350-K354 VanDerWaalsContact O-CG 3.24Å; G350-K354 WeakPolarHBondContact O-CG 3.42Å; G350-K354 PolarHBondContact O-N 3.37Å
351	E	60.7	Low	73.8	Confident	152 Å²	152	80.2 Å²	80.2	71%	0.71	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-42.4	-175.7	-148.9	74	-131.8	0	0	114.9	I353 K354	E351-I353 VanDerWaalsContact C-N 3.3Å; E351-I353 PolarHBondContact O-N 2.83Å; E351-K354 IonicContact OE1-NZ 2.74Å; E351-K354 PolarHBondContact OE1-NZ 3.15Å; E351-K354 WeakPolarHBondContact OE2-CE 3.35Å; E351-K354 IonicContact OE2-NZ 3.76Å; E351-K354 PolarHBondContact OE2-NZ 2.85Å
352	S	55.4	Low	73.4	Confident	87 Å²	87	80.4 Å²	80.4	61%	0.608	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-20.6	-172.3	55.8	0	0	0	0	113.9	G350	G350-S352 PolarHBondContact O-N 2.94Å
353	I	66.1	Low	72.8	Confident	74 Å²	74	78.5 Å²	78.5	38%	0.379	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-12	-176.8	-57.6	172.9	0	0	0	111.4	G350 E351 G355 V356 E357	G350-I353 PolarHBondContact O-N 3.5Å; E351-I353 VanDerWaalsContact C-N 3.3Å; E351-I353 PolarHBondContact O-N 2.83Å; I353-G355 VanDerWaalsContact C-N 3.29Å; I353-G355 PolarHBondContact O-N 3.34Å; I353-G355 VanDerWaalsContact O-N 3.12Å; I353-V356 PolarHBondContact O-N 3.24Å; I353-V356 VanDerWaalsContact O-N 3.09Å; I353-E357 HydrophobicContact CG2-CB 4.42Å; I353-E357 HydrophobicContact CG2-CG 3.64Å; I353-E357 WeakPolarHBondContact CG2-OE1 3.25Å; I353-E357 PolarHBondContact O-N 3.49Å; I353-E357 VanDerWaalsContact O-N 3.08Å
354	K	65.9	Low	72.6	Confident	68 Å²	68	82.6 Å²	82.6	30%	0.296	42%	0.415	S	S	.	.	H	α-helix	trans	-44.1	-51.5	-178.4	-72	-173.2	-173.8	168.3	0	112.5	G350 E351 V356 E357 D358	G350-K354 VanDerWaalsContact O-CG 3.24Å; G350-K354 WeakPolarHBondContact O-CG 3.42Å; G350-K354 PolarHBondContact O-N 3.37Å; E351-K354 IonicContact OE1-NZ 2.74Å; E351-K354 PolarHBondContact OE1-NZ 3.15Å; E351-K354 WeakPolarHBondContact OE2-CE 3.35Å; E351-K354 IonicContact OE2-NZ 3.76Å; E351-K354 PolarHBondContact OE2-NZ 2.85Å; K354-V356 PolarHBondContact O-N 3.07Å; K354-E357 PolarHBondContact O-N 3.48Å; K354-D358 WeakPolarHBondContact O-CB 3.49Å; K354-D358 PolarHBondContact O-N 3.11Å
355	G	71.8	Confident	72.7	Confident	44 Å²	44	78.3 Å²	78.3	45%	0.454	40%	0.4	S	S	.	.	H	α-helix	trans	-58.2	-44.9	-176.7	0	0	0	0	0	114.5	I353 M359	I353-G355 VanDerWaalsContact C-N 3.29Å; I353-G355 PolarHBondContact O-N 3.34Å; I353-G355 VanDerWaalsContact O-N 3.12Å; G355-M359 WeakPolarHBondContact O-CE 3.25Å; G355-M359 VanDerWaalsContact O-CG 3.27Å; G355-M359 WeakPolarHBondContact O-CG 3.33Å; G355-M359 PolarHBondContact O-N 2.91Å
356	V	71.2	Confident	72.8	Confident	14 Å²	14	76 Å²	76	9%	0.085	38%	0.384	C	S	.	.	H	α-helix	trans	-72.5	-44.4	180	-175.4	0	0	0	0	111.3	S143 I353 K354 M359 R360	S143-V356 WeakPolarHBondContact OG-CG2 3.4Å; I353-V356 PolarHBondContact O-N 3.24Å; I353-V356 VanDerWaalsContact O-N 3.09Å; K354-V356 PolarHBondContact O-N 3.07Å; V356-M359 PolarHBondContact O-N 3.44Å; V356-R360 HydrophobicContact CG1-CG 4.45Å; V356-R360 WeakPolarHBondContact O-CG 3.31Å; V356-R360 PolarHBondContact O-N 2.7Å
357	E	71	Confident	73.2	Confident	44 Å²	44	71.7 Å²	71.7	21%	0.206	37%	0.371	C	S	.	.	H	α-helix	trans	-66.6	-41.6	-178.7	-84	-174.6	-169.9	0	0	112	T348 I353 K354 M359 R360 I361	T348-E357 HydrophobicContact CG2-CB 3.78Å; I353-E357 HydrophobicContact CG2-CB 4.42Å; I353-E357 HydrophobicContact CG2-CG 3.64Å; I353-E357 WeakPolarHBondContact CG2-OE1 3.25Å; I353-E357 PolarHBondContact O-N 3.49Å; I353-E357 VanDerWaalsContact O-N 3.08Å; K354-E357 PolarHBondContact O-N 3.48Å; E357-M359 VanDerWaalsContact C-N 3.32Å; E357-M359 PolarHBondContact O-N 3.35Å; E357-R360 PolarHBondContact O-N 2.91Å; E357-I361 WeakPolarHBondContact O-CB 3.37Å; E357-I361 VanDerWaalsContact O-CG1 3.31Å; E357-I361 WeakPolarHBondContact O-CG1 3.28Å; E357-I361 PolarHBondContact O-N 2.64Å
358	D	76.6	Confident	74.1	Confident	59 Å²	59	62.8 Å²	62.8	32%	0.316	33%	0.332	S	S	.	.	H	α-helix	trans	-61	-42.8	175.4	-70.2	-15.7	0	0	0	110.8	T348 K354 I361 K362	T348-D358 WeakPolarHBondContact CB-OD1 3.31Å; T348-D358 WeakPolarHBondContact CG2-OD1 3.44Å; T348-D358 PolarHBondContact OG1-OD1 3.1Å; K354-D358 WeakPolarHBondContact O-CB 3.49Å; K354-D358 PolarHBondContact O-N 3.11Å; D358-I361 PolarHBondContact O-N 2.97Å; D358-K362 WeakPolarHBondContact O-CB 3.44Å; D358-K362 WeakPolarHBondContact O-CG 3.3Å; D358-K362 PolarHBondContact O-N 3.31Å
359	M	73.9	Confident	75.3	Confident	46 Å²	46	67.7 Å²	67.7	23%	0.227	35%	0.35	C	S	.	.	H	α-helix	trans	-62.3	-44.4	174	-74.9	-169.9	-64.4	0	0	112.2	N139 G355 V356 E357 I361 K362 E363	N139-M359 HydrophobicContact CB-CE 3.31Å; N139-M359 HydrophobicContact CB-SD 3.92Å; N139-M359 PolarHBondContact ND2-SD 2.99Å; N139-M359 VanDerWaalsContact ND2-SD 3.42Å; G355-M359 WeakPolarHBondContact O-CE 3.25Å; G355-M359 VanDerWaalsContact O-CG 3.27Å; G355-M359 WeakPolarHBondContact O-CG 3.33Å; G355-M359 PolarHBondContact O-N 2.91Å; V356-M359 PolarHBondContact O-N 3.44Å; E357-M359 VanDerWaalsContact C-N 3.32Å; E357-M359 PolarHBondContact O-N 3.35Å; M359-I361 VanDerWaalsContact C-N 3.34Å; M359-I361 PolarHBondContact O-N 3.41Å; M359-K362 PolarHBondContact O-N 3.24Å; M359-E363 PolarHBondContact O-N 2.94Å
360	R	73.9	Confident	76.5	Confident	88 Å²	88	63.5 Å²	63.5	33%	0.332	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-41.4	177	-73.3	176.8	-175.6	162.1	6.5	111.6	C159 V356 E357 K364	C159-R360 VanDerWaalsContact SG-CZ 3.6Å; C159-R360 PolarHBondContact SG-NE 3.43Å; C159-R360 PolarHBondContact SG-NH2 3.37Å; V356-R360 HydrophobicContact CG1-CG 4.45Å; V356-R360 WeakPolarHBondContact O-CG 3.31Å; V356-R360 PolarHBondContact O-N 2.7Å; E357-R360 PolarHBondContact O-N 2.91Å; R360-K364 WeakPolarHBondContact O-CB 3.01Å; R360-K364 WeakPolarHBondContact O-CG 3.4Å; R360-K364 PolarHBondContact O-N 3.12Å
361	I	80	Confident	78.1	Confident	16 Å²	16	61.5 Å²	61.5	8%	0.082	30%	0.302	C	S	.	.	H	α-helix	trans	-68.2	-42.3	177.7	-69.7	168.4	0	0	0	110.4	R346 T348 E357 D358 M359 E363 K364 K365	R346-I361 HydrophobicContact CG-CD1 4.36Å; T348-I361 HydrophobicContact CG2-CD1 3.34Å; E357-I361 WeakPolarHBondContact O-CB 3.37Å; E357-I361 VanDerWaalsContact O-CG1 3.31Å; E357-I361 WeakPolarHBondContact O-CG1 3.28Å; E357-I361 PolarHBondContact O-N 2.64Å; D358-I361 PolarHBondContact O-N 2.97Å; M359-I361 VanDerWaalsContact C-N 3.34Å; M359-I361 PolarHBondContact O-N 3.41Å; I361-E363 VanDerWaalsContact C-N 3.34Å; I361-E363 PolarHBondContact O-N 2.99Å; I361-K364 PolarHBondContact O-N 2.89Å; I361-K365 HydrophobicContact CG2-CD 4.09Å; I361-K365 HydrophobicContact CG2-CG 4.29Å; I361-K365 WeakPolarHBondContact O-CB 3.32Å; I361-K365 WeakPolarHBondContact O-CG 3.37Å; I361-K365 PolarHBondContact O-N 3.25Å
362	K	81.9	Confident	79.8	Confident	144 Å²	144	55.8 Å²	55.8	63%	0.626	28%	0.281	S	S	*	.	H	α-helix	trans	-57.8	-45.7	174.9	-77.9	173.3	-178.1	179.4	0	111.5	D358 M359 K365 R366	D358-K362 WeakPolarHBondContact O-CB 3.44Å; D358-K362 WeakPolarHBondContact O-CG 3.3Å; D358-K362 PolarHBondContact O-N 3.31Å; M359-K362 PolarHBondContact O-N 3.24Å; K362-K365 PolarHBondContact O-N 3.33Å; K362-R366 WeakPolarHBondContact O-CB 3.25Å; K362-R366 PolarHBondContact O-N 2.88Å
363	E	78.5	Confident	81.7	Confident	58 Å²	58	56 Å²	56	27%	0.271	27%	0.27	S	S	.	.	H	α-helix	trans	-67.2	-41.3	178	-167.5	64.1	-164.6	0	0	111.8	M359 I361 R366 I367 R433	M359-E363 PolarHBondContact O-N 2.94Å; I361-E363 VanDerWaalsContact C-N 3.34Å; I361-E363 PolarHBondContact O-N 2.99Å; E363-R366 WeakPolarHBondContact O-CB 3.27Å; E363-R366 PolarHBondContact O-N 2.69Å; E363-I367 HydrophobicContact CG-CD1 4.47Å; E363-I367 WeakPolarHBondContact O-CG1 3.38Å; E363-I367 PolarHBondContact O-N 3.48Å; E363-R433 IonicContact OE2-CZ 2.78Å; E363-R433 IonicContact OE2-NH1 2.88Å; E363-R433 PolarHBondContact OE2-NH1 2.7Å
364	K	82.6	Confident	83	Confident	93 Å²	93	52.6 Å²	52.6	40%	0.404	25%	0.253	S	S	.	.	H	α-helix	trans	-59.6	-47.7	173.2	-76.4	-179.3	178.9	-173.6	0	111.9	R360 I361 R366 I367 I368	R360-K364 WeakPolarHBondContact O-CB 3.01Å; R360-K364 WeakPolarHBondContact O-CG 3.4Å; R360-K364 PolarHBondContact O-N 3.12Å; I361-K364 PolarHBondContact O-N 2.89Å; K364-R366 VanDerWaalsContact C-N 3.27Å; K364-R366 PolarHBondContact O-N 3.32Å; K364-I367 PolarHBondContact O-N 2.86Å; K364-I368 WeakPolarHBondContact O-CG1 3.42Å; K364-I368 PolarHBondContact O-N 3.04Å
365	K	87.5	Confident	84.4	Confident	52 Å²	52	49.7 Å²	49.7	23%	0.226	24%	0.241	C	C	.	.	H	α-helix	trans	-57.5	-41.7	176	-76.9	-178.8	178.1	-176.7	0	111.1	L343 I361 K362 I368 K369	L343-K365 HydrophobicContact CB-CG 4.33Å; L343-K365 WeakPolarHBondContact O-CE 2.93Å; L343-K365 PolarHBondContact O-NZ 3.06Å; I361-K365 HydrophobicContact CG2-CD 4.09Å; I361-K365 HydrophobicContact CG2-CG 4.29Å; I361-K365 WeakPolarHBondContact O-CB 3.32Å; I361-K365 WeakPolarHBondContact O-CG 3.37Å; I361-K365 PolarHBondContact O-N 3.25Å; K362-K365 PolarHBondContact O-N 3.33Å; K365-I368 PolarHBondContact O-N 3.27Å; K365-K369 VanDerWaalsContact O-CB 3.3Å; K365-K369 WeakPolarHBondContact O-CB 3.48Å; K365-K369 PolarHBondContact O-N 3.17Å
366	R	87.5	Confident	85.6	Confident	56 Å²	56	49.6 Å²	49.6	21%	0.211	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-47.6	176.7	-177.6	179.1	175.6	139.8	0.4	112.4	K362 E363 K364 K369 M370 M431	K362-R366 WeakPolarHBondContact O-CB 3.25Å; K362-R366 PolarHBondContact O-N 2.88Å; E363-R366 WeakPolarHBondContact O-CB 3.27Å; E363-R366 PolarHBondContact O-N 2.69Å; K364-R366 VanDerWaalsContact C-N 3.27Å; K364-R366 PolarHBondContact O-N 3.32Å; R366-K369 PolarHBondContact O-N 3.38Å; R366-M370 PolarHBondContact O-N 2.88Å; R366-M431 VanDerWaalsContact CZ-O 3.22Å; R366-M431 PolarHBondContact NE-O 3Å; R366-M431 PolarHBondContact NH2-O 3.28Å
367	I	87.4	Confident	86.8	Confident	47 Å²	47	50.7 Å²	50.7	24%	0.241	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-45.2	178.5	-65.6	167.4	0	0	0	110.7	F170 E363 K364 M370 L371	F170-I367 HydrophobicContact CE1-CG2 4.41Å; E363-I367 HydrophobicContact CG-CD1 4.47Å; E363-I367 WeakPolarHBondContact O-CG1 3.38Å; E363-I367 PolarHBondContact O-N 3.48Å; K364-I367 PolarHBondContact O-N 2.86Å; I367-M370 WeakPolarHBondContact O-CB 3.34Å; I367-M370 PolarHBondContact O-N 2.93Å; I367-L371 HydrophobicContact CG2-CD1 4.12Å; I367-L371 WeakPolarHBondContact O-CG 3.34Å; I367-L371 PolarHBondContact O-N 3.38Å
368	I	90.5	Very high	87.9	Confident	7 Å²	7	48.6 Å²	48.6	4%	0.036	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-44.3	177.2	-67.8	-52.5	0	0	0	111.3	R233 Y336 I339 L343 K364 K365 M370 L371 A372	R233-I368 HydrophobicContact CB-CD1 3.92Å; R233-I368 HydrophobicContact CG-CD1 3.94Å; Y336-I368 HydrophobicContact CD1-CG2 4.21Å; Y336-I368 HydrophobicContact CE1-CD1 4.39Å; I339-I368 HydrophobicContact CG2-CB 4.36Å; I339-I368 HydrophobicContact CG2-CD1 3.93Å; I339-I368 HydrophobicContact CG2-CG1 3.83Å; I339-I368 HydrophobicContact CG2-CG2 3.6Å; L343-I368 HydrophobicContact CD1-CB 4.29Å; L343-I368 HydrophobicContact CD1-CG1 3.75Å; L343-I368 HydrophobicContact CD1-CG2 4.39Å; K364-I368 WeakPolarHBondContact O-CG1 3.42Å; K364-I368 PolarHBondContact O-N 3.04Å; K365-I368 PolarHBondContact O-N 3.27Å; I368-M370 VanDerWaalsContact C-N 3.3Å; I368-M370 PolarHBondContact O-N 3.44Å; I368-L371 PolarHBondContact O-N 3.49Å; I368-A372 WeakPolarHBondContact O-CB 3.35Å; I368-A372 PolarHBondContact O-N 3.31Å
369	K	92.1	Very high	88.8	Confident	134 Å²	134	46.1 Å²	46.1	58%	0.583	22%	0.219	S	C	*	.	H	α-helix	trans	-59.4	-42.5	177	-169.8	-173.4	174.6	175.9	0	111.4	K365 R366 F373 M431	K365-K369 VanDerWaalsContact O-CB 3.3Å; K365-K369 WeakPolarHBondContact O-CB 3.48Å; K365-K369 PolarHBondContact O-N 3.17Å; R366-K369 PolarHBondContact O-N 3.38Å; K369-F373 PolarHBondContact O-N 3.3Å; K369-M431 HydrophobicContact CB-CE 4.19Å; K369-M431 HydrophobicContact CD-CE 3.99Å; K369-M431 HydrophobicContact CG-CE 3.76Å
370	M	93.1	Very high	89.9	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.025	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-49	174.9	178.8	-172	83	0	0	111.6	R366 I367 I368 F373 I374 I427 Y428 M431	R366-M370 PolarHBondContact O-N 2.88Å; I367-M370 WeakPolarHBondContact O-CB 3.34Å; I367-M370 PolarHBondContact O-N 2.93Å; I368-M370 VanDerWaalsContact C-N 3.3Å; I368-M370 PolarHBondContact O-N 3.44Å; M370-F373 WeakPolarHBondContact O-CB 3.42Å; M370-F373 PolarHBondContact O-N 2.92Å; M370-I374 PolarHBondContact O-N 2.98Å; M370-I427 HydrophobicContact CG-CG2 3.72Å; M370-Y428 HydrophobicContact CE-CD1 4.08Å; M370-Y428 HydrophobicContact CE-CE1 4.12Å; M370-Y428 HydrophobicContact SD-CD1 3.93Å; M370-Y428 HydrophobicContact SD-CE1 4.49Å; M370-M431 HydrophobicContact CB-CB 3.86Å; M370-M431 HydrophobicContact CB-CE 4.21Å; M370-M431 HydrophobicContact CB-SD 4.37Å; M370-M431 HydrophobicContact CG-CB 3.77Å; M370-M431 HydrophobicContact SD-CB 4.34Å
371	L	93.5	Very high	91	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-40.1	-179.6	-73.1	176.3	0	0	0	112.7	F170 I229 R233 Y336 I367 I368 F373 I374 V375	F170-L371 HydrophobicContact CE2-CD1 4.09Å; F170-L371 HydrophobicContact CE2-CD2 4.14Å; F170-L371 HydrophobicContact CZ-CD1 3.91Å; F170-L371 HydrophobicContact CZ-CD2 3.86Å; F170-L371 HydrophobicContact CZ-CG 4.25Å; I229-L371 HydrophobicContact CG2-CD1 3.9Å; I229-L371 HydrophobicContact CG2-CD2 3.81Å; I229-L371 HydrophobicContact CG2-CG 4.45Å; R233-L371 HydrophobicContact CG-CD1 3.66Å; Y336-L371 HydrophobicContact CE1-CB 3.71Å; Y336-L371 HydrophobicContact CE1-CD1 4.33Å; Y336-L371 WeakPolarHBondContact OH-CB 3.13Å; I367-L371 HydrophobicContact CG2-CD1 4.12Å; I367-L371 WeakPolarHBondContact O-CG 3.34Å; I367-L371 PolarHBondContact O-N 3.38Å; I368-L371 PolarHBondContact O-N 3.49Å; L371-F373 VanDerWaalsContact C-N 3.26Å; L371-F373 PolarHBondContact O-N 3.37Å; L371-I374 HydrophobicContact CD2-CD1 4.34Å; L371-I374 WeakPolarHBondContact O-CB 3.37Å; L371-I374 PolarHBondContact O-N 3.14Å; L371-V375 WeakPolarHBondContact O-CG2 3.37Å; L371-V375 PolarHBondContact O-N 3.5Å; L371-V375 VanDerWaalsContact O-N 3.07Å
372	A	94.9	Very high	91.7	Very high	32 Å²	32	45.2 Å²	45.2	26%	0.264	22%	0.22	S	C	.	.	H	α-helix	trans	-61.4	-37	174.1	0	0	0	0	0	111.5	Y336 I368 V375 A376	Y336-A372 HydrophobicContact CD1-CB 4.45Å; Y336-A372 HydrophobicContact CG-CB 4.27Å; I368-A372 WeakPolarHBondContact O-CB 3.35Å; I368-A372 PolarHBondContact O-N 3.31Å; A372-V375 PolarHBondContact O-N 3.39Å; A372-A376 WeakPolarHBondContact O-CB 3.36Å; A372-A376 PolarHBondContact O-N 3.05Å
373	F	95.5	Very high	92.4	Very high	90 Å²	90	41.6 Å²	41.6	40%	0.395	21%	0.208	S	C	.	.	H	α-helix	trans	-68.1	-38.7	175.9	-166.2	-113.5	0	0	0	112.4	K369 M370 L371 V375 A376 M377 I427 M431	K369-F373 PolarHBondContact O-N 3.3Å; M370-F373 WeakPolarHBondContact O-CB 3.42Å; M370-F373 PolarHBondContact O-N 2.92Å; L371-F373 VanDerWaalsContact C-N 3.26Å; L371-F373 PolarHBondContact O-N 3.37Å; F373-V375 VanDerWaalsContact C-N 3.33Å; F373-V375 PolarHBondContact O-N 3.28Å; F373-A376 PolarHBondContact O-N 2.93Å; F373-M377 HydrophobicContact CD1-CG 4.43Å; F373-M377 HydrophobicContact CD2-CE 4.44Å; F373-M377 HydrophobicContact CE1-CG 4.12Å; F373-M377 HydrophobicContact CE2-CE 3.8Å; F373-M377 HydrophobicContact CZ-CE 3.98Å; F373-M377 HydrophobicContact CZ-CG 4.19Å; F373-M377 HydrophobicContact CZ-SD 4.16Å; F373-M377 WeakPolarHBondContact O-CG 3.42Å; F373-M377 PolarHBondContact O-N 2.87Å; F373-I427 HydrophobicContact CD1-CB 4.43Å; F373-I427 HydrophobicContact CD1-CD1 3.47Å; F373-I427 VanDerWaalsContact CD1-CD1 3.47Å; F373-I427 HydrophobicContact CD1-CG1 3.55Å; F373-I427 HydrophobicContact CD1-CG2 4.06Å; F373-I427 HydrophobicContact CE1-CD1 3.84Å; F373-I427 HydrophobicContact CE1-CG1 3.72Å; F373-I427 HydrophobicContact CG-CD1 4.46Å; F373-M431 HydrophobicContact CB-SD 4.1Å; F373-M431 HydrophobicContact CD1-SD 4.02Å; F373-M431 HydrophobicContact CG-SD 4.25Å
374	I	94.3	Very high	93.3	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-58	-46.5	171.9	-69.2	171.2	0	0	0	110.8	L177 M370 L371 M377 F378 I427 Y428	L177-I374 HydrophobicContact CD2-CG2 4.47Å; M370-I374 PolarHBondContact O-N 2.98Å; L371-I374 HydrophobicContact CD2-CD1 4.34Å; L371-I374 WeakPolarHBondContact O-CB 3.37Å; L371-I374 PolarHBondContact O-N 3.14Å; I374-M377 PolarHBondContact O-N 3.37Å; I374-F378 PolarHBondContact O-N 3.47Å; I374-I427 HydrophobicContact CB-CD1 4.44Å; I374-I427 HydrophobicContact CD1-CG2 4.28Å; I374-I427 HydrophobicContact CG1-CB 4.24Å; I374-I427 HydrophobicContact CG1-CD1 3.76Å; I374-I427 HydrophobicContact CG1-CG2 3.79Å; I374-Y428 HydrophobicContact CD1-CD1 4.32Å; I374-Y428 HydrophobicContact CD1-CE1 3.49Å; I374-Y428 VanDerWaalsContact CD1-CE1 3.49Å
375	V	94.8	Very high	93.9	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.048	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-42.4	177.7	170.3	0	0	0	0	112.3	L329 Q332 Y336 L371 A372 F373 M377 F378 G379	L329-V375 HydrophobicContact CD1-CG1 4.03Å; Q332-V375 HydrophobicContact CB-CG1 3.59Å; Q332-V375 HydrophobicContact CB-CG2 4.13Å; Q332-V375 HydrophobicContact CG-CG1 4.41Å; Q332-V375 HydrophobicContact CG-CG2 4.33Å; Y336-V375 HydrophobicContact CD2-CB 4.42Å; Y336-V375 HydrophobicContact CD2-CG2 3.93Å; Y336-V375 HydrophobicContact CE2-CB 4.41Å; Y336-V375 HydrophobicContact CE2-CG2 3.47Å; Y336-V375 VanDerWaalsContact CE2-CG2 3.47Å; L371-V375 WeakPolarHBondContact O-CG2 3.37Å; L371-V375 PolarHBondContact O-N 3.5Å; L371-V375 VanDerWaalsContact O-N 3.07Å; A372-V375 PolarHBondContact O-N 3.39Å; F373-V375 VanDerWaalsContact C-N 3.33Å; F373-V375 PolarHBondContact O-N 3.28Å; V375-M377 VanDerWaalsContact C-N 3.31Å; V375-M377 PolarHBondContact O-N 2.99Å; V375-F378 PolarHBondContact O-N 3.47Å; V375-G379 PolarHBondContact O-N 2.9Å
376	A	96.4	Very high	94.2	Very high	41 Å²	41	35.3 Å²	35.3	34%	0.339	19%	0.185	S	C	.	.	H	α-helix	trans	-61	-42.9	177.5	0	0	0	0	0	111.3	A372 F373 G379 I380	A372-A376 WeakPolarHBondContact O-CB 3.36Å; A372-A376 PolarHBondContact O-N 3.05Å; F373-A376 PolarHBondContact O-N 2.93Å; A376-G379 PolarHBondContact O-N 2.99Å; A376-I380 WeakPolarHBondContact O-CB 3.28Å; A376-I380 VanDerWaalsContact O-CG1 3.31Å; A376-I380 WeakPolarHBondContact O-CG1 3.5Å; A376-I380 PolarHBondContact O-N 2.91Å
377	M	96.1	Very high	94.6	Very high	38 Å²	38	36.4 Å²	36.4	19%	0.187	19%	0.194	C	C	.	.	H	α-helix	trans	-67	-39.8	176.2	-67.4	-59.6	104.3	0	0	112	F373 I374 V375 G379 I380 C381 V423 I427	F373-M377 HydrophobicContact CD1-CG 4.43Å; F373-M377 HydrophobicContact CD2-CE 4.44Å; F373-M377 HydrophobicContact CE1-CG 4.12Å; F373-M377 HydrophobicContact CE2-CE 3.8Å; F373-M377 HydrophobicContact CZ-CE 3.98Å; F373-M377 HydrophobicContact CZ-CG 4.19Å; F373-M377 HydrophobicContact CZ-SD 4.16Å; F373-M377 WeakPolarHBondContact O-CG 3.42Å; F373-M377 PolarHBondContact O-N 2.87Å; I374-M377 PolarHBondContact O-N 3.37Å; V375-M377 VanDerWaalsContact C-N 3.31Å; V375-M377 PolarHBondContact O-N 2.99Å; M377-G379 VanDerWaalsContact C-N 3.33Å; M377-G379 PolarHBondContact O-N 3.39Å; M377-I380 HydrophobicContact CE-CD1 3.71Å; M377-I380 PolarHBondContact O-N 3.19Å; M377-C381 WeakPolarHBondContact O-CB 3.33Å; M377-C381 PolarHBondContact O-N 3.01Å; M377-C381 PolarHBondContact O-SG 3.23Å; M377-V423 HydrophobicContact CB-CG1 3.86Å; M377-V423 HydrophobicContact CG-CG1 3.74Å; M377-I427 HydrophobicContact CB-CD1 4.45Å; M377-I427 HydrophobicContact CG-CD1 4.01Å
378	F	94.3	Very high	94.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.9	-47.3	171.7	179.2	-91.2	0	0	0	111.5	V219 Y325 I374 V375 W382 N420	V219-F378 HydrophobicContact CG2-CE2 4.36Å; V219-F378 HydrophobicContact CG2-CZ 4.48Å; Y325-F378 HydrophobicContact CD2-CE1 4.34Å; I374-F378 PolarHBondContact O-N 3.47Å; V375-F378 PolarHBondContact O-N 3.47Å; F378-W382 AromaticContact CD2-CD1 3.59Å; F378-W382 AromaticContact CD2-NE1 3.76Å; F378-W382 AromaticContact CE2-CD1 3.56Å; F378-W382 HydrophobicContact CE2-CG 4.34Å; F378-W382 AromaticContact CE2-NE1 3.59Å; F378-W382 HydrophobicContact CZ-CG 4.49Å; F378-W382 WeakPolarHBondContact O-CB 3.28Å; F378-W382 VanDerWaalsContact O-CD1 3.25Å; F378-W382 PolarHBondContact O-N 2.89Å; F378-N420 VanDerWaalsContact CA-OD1 3.32Å; F378-N420 WeakPolarHBondContact CA-OD1 3.24Å
379	G	96	Very high	95	Very high	7 Å²	7	38.1 Å²	38.1	7%	0.072	20%	0.2	C	C	.	.	H	α-helix	trans	-58.4	-54.4	175.2	0	0	0	0	0	112.6	Y325 V375 A376 M377 C381 L383	Y325-G379 PolarHBondContact OH-O 2.69Å; V375-G379 PolarHBondContact O-N 2.9Å; A376-G379 PolarHBondContact O-N 2.99Å; M377-G379 VanDerWaalsContact C-N 3.33Å; M377-G379 PolarHBondContact O-N 3.39Å; G379-C381 PolarHBondContact O-N 3.09Å; G379-L383 VanDerWaalsContact O-CB 3.28Å; G379-L383 WeakPolarHBondContact O-CB 3.3Å; G379-L383 PolarHBondContact O-N 2.85Å
380	I	96.7	Very high	95	Very high	102 Å²	102	33.2 Å²	33.2	52%	0.523	18%	0.18	S	C	.	.	H	α-helix	trans	-64.7	-41.3	-175.7	-69.5	165.7	0	0	0	112	A376 M377 P384	A376-I380 WeakPolarHBondContact O-CB 3.28Å; A376-I380 VanDerWaalsContact O-CG1 3.31Å; A376-I380 WeakPolarHBondContact O-CG1 3.5Å; A376-I380 PolarHBondContact O-N 2.91Å; M377-I380 HydrophobicContact CE-CD1 3.71Å; M377-I380 PolarHBondContact O-N 3.19Å; I380-P384 WeakPolarHBondContact O-CD 3.43Å
381	C	97	Very high	95	Very high	10 Å²	10	36.5 Å²	36.5	7%	0.068	20%	0.197	C	C	.	.	H	α-helix	trans	-70.9	-39	-176.9	-70.4	0	0	0	0	112.4	M377 G379 I416 A417 N420	M377-C381 WeakPolarHBondContact O-CB 3.33Å; M377-C381 PolarHBondContact O-N 3.01Å; M377-C381 PolarHBondContact O-SG 3.23Å; G379-C381 PolarHBondContact O-N 3.09Å; C381-I416 HydrophobicContact CB-CG2 4.49Å; C381-I416 VanDerWaalsContact CB-O 3.31Å; C381-I416 WeakPolarHBondContact CB-O 3.45Å; C381-I416 CarbonylContact O-C 3.55Å; C381-A417 WeakPolarHBondContact O-CA 3.44Å; C381-A417 PolarHBondContact O-N 3.15Å; C381-N420 HydrophobicContact CB-CB 3.78Å
382	W	96	Very high	94.7	Very high	19 Å²	19	39.2 Å²	39.2	7%	0.072	21%	0.209	C	C	.	.	H	α-helix	trans	-85.9	-23.3	-176.9	-74.4	94.9	0	0	0	113.7	M184 V219 Y325 F378 S385 H386 A417 N420	M184-W382 HydrophobicContact CE-CH2 3.97Å; M184-W382 HydrophobicContact CE-CZ2 4.11Å; V219-W382 HydrophobicContact CB-CH2 3.54Å; V219-W382 HydrophobicContact CB-CZ2 3.67Å; V219-W382 HydrophobicContact CB-CZ3 4.13Å; V219-W382 HydrophobicContact CG1-CH2 4.24Å; V219-W382 HydrophobicContact CG1-CZ3 4.49Å; V219-W382 HydrophobicContact CG2-CD2 3.81Å; V219-W382 VanDerWaalsContact CG2-CE2 3.5Å; V219-W382 HydrophobicContact CG2-CE3 3.9Å; V219-W382 HydrophobicContact CG2-CH2 3.44Å; V219-W382 VanDerWaalsContact CG2-CH2 3.44Å; V219-W382 HydrophobicContact CG2-CZ2 3.32Å; V219-W382 HydrophobicContact CG2-CZ3 3.72Å; Y325-W382 HydrophobicContact CD2-CB 4.04Å; Y325-W382 HydrophobicContact CE2-CB 3.93Å; F378-W382 AromaticContact CD2-CD1 3.59Å; F378-W382 AromaticContact CD2-NE1 3.76Å; F378-W382 AromaticContact CE2-CD1 3.56Å; F378-W382 HydrophobicContact CE2-CG 4.34Å; F378-W382 AromaticContact CE2-NE1 3.59Å; F378-W382 HydrophobicContact CZ-CG 4.49Å; F378-W382 WeakPolarHBondContact O-CB 3.28Å; F378-W382 VanDerWaalsContact O-CD1 3.25Å; F378-W382 PolarHBondContact O-N 2.89Å; W382-S385 PolarHBondContact O-N 3.49Å; W382-H386 PolarHBondContact O-CD2 2.86Å; W382-H386 VanDerWaalsContact O-CD2 3.28Å; W382-H386 PolarHBondContact O-N 3.13Å; W382-H386 VanDerWaalsContact O-N 3.13Å; W382-A417 HydrophobicContact CD2-CB 4.18Å; W382-A417 HydrophobicContact CE3-CB 3.96Å; W382-A417 HydrophobicContact CZ3-CB 4.16Å; W382-N420 PolarHBondContact NE1-ND2 3.31Å
383	L	96.7	Very high	94.4	Very high	68 Å²	68	39 Å²	39	36%	0.356	20%	0.204	S	C	.	.	H	α-helix	trans	-52.9	-50.6	-178.4	-178.9	63.6	0	0	0	113.8	Y325 G379 S385 H386 L387	Y325-L383 HydrophobicContact CE1-CD1 4.01Å; Y325-L383 WeakPolarHBondContact OH-CB 3.45Å; G379-L383 VanDerWaalsContact O-CB 3.28Å; G379-L383 WeakPolarHBondContact O-CB 3.3Å; G379-L383 PolarHBondContact O-N 2.85Å; L383-S385 VanDerWaalsContact C-N 3.29Å; L383-S385 PolarHBondContact O-N 2.93Å; L383-H386 PolarHBondContact O-N 3.13Å; L383-L387 HydrophobicContact CD1-CD1 3.87Å; L383-L387 HydrophobicContact CD1-CD2 4.28Å; L383-L387 HydrophobicContact CD1-CG 3.84Å; L383-L387 HydrophobicContact CD2-CD1 4.44Å; L383-L387 HydrophobicContact CG-CD1 3.83Å; L383-L387 HydrophobicContact CG-CG 4.19Å; L383-L387 WeakPolarHBondContact O-CG 3.45Å; L383-L387 PolarHBondContact O-N 3.04Å
384	P	96.7	Very high	94.1	Very high	35 Å²	35	41 Å²	41	23%	0.227	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-38	-176.4	-23.9	35.6	0	0	0	112.7	I380 F388 C413 I416	I380-P384 WeakPolarHBondContact O-CD 3.43Å; P384-F388 VanDerWaalsContact O-CB 3.29Å; P384-F388 WeakPolarHBondContact O-CB 3.2Å; P384-F388 PolarHBondContact O-N 3.38Å; P384-C413 HydrophobicContact CB-CB 4.12Å; P384-I416 HydrophobicContact CG-CD1 4.43Å; P384-I416 HydrophobicContact CG-CG2 4.1Å
385	S	94.1	Very high	93.8	Very high	11 Å²	11	42.5 Å²	42.5	8%	0.077	22%	0.223	C	C	.	.	H	α-helix	trans	-66.4	-44.6	176.8	-77.6	0	0	0	0	112	W382 L383 F388 F389 C413 A417	W382-S385 PolarHBondContact O-N 3.49Å; L383-S385 VanDerWaalsContact C-N 3.29Å; L383-S385 PolarHBondContact O-N 2.93Å; S385-F388 WeakPolarHBondContact O-CB 3.33Å; S385-F388 PolarHBondContact O-N 3.49Å; S385-F389 WeakPolarHBondContact O-CD2 3.37Å; S385-F389 PolarHBondContact O-N 2.85Å; S385-F389 VanDerWaalsContact O-N 3.14Å; S385-C413 VanDerWaalsContact OG-C 3.25Å; S385-C413 PolarHBondContact OG-O 3.16Å; S385-A417 WeakPolarHBondContact OG-CB 3.44Å
386	H	94.6	Very high	93.1	Very high	25 Å²	25	46.8 Å²	46.8	12%	0.116	25%	0.25	C	S	.	.	H	α-helix	trans	-63.4	-42.8	176.1	-77.4	-61.2	0	0	0	112.6	F321 Y325 W382 L383 F388 F389 L390	F321-H386 HydrophobicContact CD2-CB 3.58Å; F321-H386 AromaticContact CD2-CG 3.75Å; F321-H386 AromaticContact CD2-ND1 3.94Å; F321-H386 HydrophobicContact CE2-CB 3.78Å; Y325-H386 WeakPolarHBondContact CB-NE2 3.41Å; Y325-H386 AromaticContact CD2-CD2 3.54Å; Y325-H386 AromaticContact CD2-NE2 3.79Å; Y325-H386 AromaticContact CG-CD2 3.48Å; Y325-H386 VanDerWaalsContact CG-CD2 3.48Å; Y325-H386 AromaticContact CG-NE2 3.73Å; W382-H386 PolarHBondContact O-CD2 2.86Å; W382-H386 VanDerWaalsContact O-CD2 3.28Å; W382-H386 PolarHBondContact O-N 3.13Å; W382-H386 VanDerWaalsContact O-N 3.13Å; L383-H386 PolarHBondContact O-N 3.13Å; H386-F388 VanDerWaalsContact C-N 3.32Å; H386-F388 PolarHBondContact O-N 3.28Å; H386-F389 PolarHBondContact O-N 3.14Å; H386-L390 WeakPolarHBondContact O-CG 3.17Å; H386-L390 PolarHBondContact O-N 3.4Å
387	L	95	Very high	92.5	Very high	78 Å²	78	49.4 Å²	49.4	41%	0.408	26%	0.258	S	S	.	.	H	α-helix	trans	-63.9	-39.4	176	-68	179.3	0	0	0	111.7	L383 L390 L391	L383-L387 HydrophobicContact CD1-CD1 3.87Å; L383-L387 HydrophobicContact CD1-CD2 4.28Å; L383-L387 HydrophobicContact CD1-CG 3.84Å; L383-L387 HydrophobicContact CD2-CD1 4.44Å; L383-L387 HydrophobicContact CG-CD1 3.83Å; L383-L387 HydrophobicContact CG-CG 4.19Å; L383-L387 WeakPolarHBondContact O-CG 3.45Å; L383-L387 PolarHBondContact O-N 3.04Å; L387-L390 PolarHBondContact O-N 2.91Å; L387-L391 VanDerWaalsContact O-CB 3.28Å; L387-L391 WeakPolarHBondContact O-CB 3.45Å; L387-L391 VanDerWaalsContact O-CG 3.25Å; L387-L391 WeakPolarHBondContact O-CG 3.09Å; L387-L391 PolarHBondContact O-N 2.91Å
388	F	94.2	Very high	91.8	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.035	25%	0.254	C	S	.	.	H	α-helix	trans	-57.4	-51.7	176	179.7	-89.1	0	0	0	111.5	P384 S385 H386 L390 L391 Q392 F398 T406 V409 Y410 C413	P384-F388 VanDerWaalsContact O-CB 3.29Å; P384-F388 WeakPolarHBondContact O-CB 3.2Å; P384-F388 PolarHBondContact O-N 3.38Å; S385-F388 WeakPolarHBondContact O-CB 3.33Å; S385-F388 PolarHBondContact O-N 3.49Å; H386-F388 VanDerWaalsContact C-N 3.32Å; H386-F388 PolarHBondContact O-N 3.28Å; F388-L390 PolarHBondContact O-N 2.7Å; F388-L391 PolarHBondContact O-N 3Å; F388-Q392 WeakPolarHBondContact O-CB 3.37Å; F388-Q392 PolarHBondContact O-N 3.44Å; F388-F398 HydrophobicContact CD2-CE1 4.19Å; F388-F398 AromaticContact CD2-CE2 4Å; F388-F398 HydrophobicContact CD2-CE2 4Å; F388-F398 AromaticContact CD2-CZ 3.55Å; F388-F398 HydrophobicContact CD2-CZ 3.55Å; F388-F398 HydrophobicContact CE2-CD1 4.46Å; F388-F398 AromaticContact CE2-CE1 3.87Å; F388-F398 HydrophobicContact CE2-CE1 3.87Å; F388-F398 HydrophobicContact CE2-CE2 4.05Å; F388-F398 AromaticContact CE2-CZ 3.63Å; F388-F398 HydrophobicContact CE2-CZ 3.63Å; F388-F398 HydrophobicContact CG-CZ 4.49Å; F388-T406 HydrophobicContact CE2-CG2 4.41Å; F388-T406 HydrophobicContact CZ-CG2 4.2Å; F388-V409 HydrophobicContact CD2-CG1 3.92Å; F388-V409 HydrophobicContact CE2-CB 4.47Å; F388-V409 HydrophobicContact CE2-CG1 4.06Å; F388-Y410 AromaticContact CD1-CD2 3.76Å; F388-Y410 HydrophobicContact CD1-CD2 3.76Å; F388-Y410 AromaticContact CE1-CD2 3.45Å; F388-Y410 HydrophobicContact CE1-CD2 3.45Å; F388-Y410 VanDerWaalsContact CE1-CD2 3.45Å; F388-Y410 HydrophobicContact CE1-CE2 4.35Å; F388-Y410 HydrophobicContact CE1-CG 4.06Å; F388-Y410 AromaticContact CZ-CD2 3.98Å; F388-Y410 HydrophobicContact CZ-CD2 3.98Å; F388-Y410 HydrophobicContact CZ-CG 4.14Å; F388-C413 HydrophobicContact CB-CB 4.35Å
389	F	92.1	Very high	90.9	Very high	82 Å²	82	59.1 Å²	59.1	36%	0.36	29%	0.293	S	S	.	.	H	α-helix	trans	-64.9	-38.9	179.5	-70.6	-61.4	0	0	0	112.8	T317 S385 H386 Q392 D393 Y410	T317-F389 HydrophobicContact CG2-CB 3.88Å; S385-F389 WeakPolarHBondContact O-CD2 3.37Å; S385-F389 PolarHBondContact O-N 2.85Å; S385-F389 VanDerWaalsContact O-N 3.14Å; H386-F389 PolarHBondContact O-N 3.14Å; F389-Q392 PolarHBondContact O-N 2.88Å; F389-D393 PolarHBondContact O-N 3.09Å; F389-Y410 HydrophobicContact CE1-CE2 4.24Å; F389-Y410 AromaticContact CZ-CE2 3.83Å; F389-Y410 HydrophobicContact CZ-CE2 3.83Å
390	L	93	Very high	90.2	Very high	32 Å²	32	65 Å²	65	17%	0.168	32%	0.323	C	S	.	.	H	α-helix	trans	-63.2	-45	174.1	-72.9	169.7	0	0	0	111.9	T317 V318 F321 H386 L387 F388 Q392 D393 F394	T317-L390 HydrophobicContact CG2-CD2 4.04Å; T317-L390 HydrophobicContact CG2-CG 4.39Å; V318-L390 HydrophobicContact CG2-CD2 4.13Å; F321-L390 HydrophobicContact CD1-CD1 3.77Å; F321-L390 HydrophobicContact CD2-CD1 4.07Å; F321-L390 HydrophobicContact CE1-CD1 3.78Å; F321-L390 HydrophobicContact CE2-CD1 4.06Å; F321-L390 HydrophobicContact CG-CD1 3.89Å; F321-L390 HydrophobicContact CZ-CD1 3.9Å; H386-L390 WeakPolarHBondContact O-CG 3.17Å; H386-L390 PolarHBondContact O-N 3.4Å; L387-L390 PolarHBondContact O-N 2.91Å; F388-L390 PolarHBondContact O-N 2.7Å; L390-Q392 VanDerWaalsContact C-N 3.3Å; L390-Q392 PolarHBondContact O-N 3.16Å; L390-D393 PolarHBondContact O-N 3.5Å; L390-F394 HydrophobicContact CD2-CD2 4.25Å; L390-F394 HydrophobicContact CD2-CE2 4.06Å; L390-F394 WeakPolarHBondContact O-CB 3.33Å; L390-F394 WeakPolarHBondContact O-CD2 3.36Å; L390-F394 PolarHBondContact O-N 3.46Å
391	L	92.6	Very high	89.5	Confident	73 Å²	73	62.7 Å²	62.7	38%	0.382	31%	0.31	S	S	.	.	H	α-helix	trans	-66.5	-34.2	177.2	-74	172.7	0	0	0	111.3	L387 F388 D393 S395 F398	L387-L391 VanDerWaalsContact O-CB 3.28Å; L387-L391 WeakPolarHBondContact O-CB 3.45Å; L387-L391 VanDerWaalsContact O-CG 3.25Å; L387-L391 WeakPolarHBondContact O-CG 3.09Å; L387-L391 PolarHBondContact O-N 2.91Å; F388-L391 PolarHBondContact O-N 3Å; L391-D393 VanDerWaalsContact C-N 3.31Å; L391-D393 PolarHBondContact O-N 2.97Å; L391-S395 WeakPolarHBondContact O-CA 3.23Å; L391-S395 VanDerWaalsContact O-CB 3.23Å; L391-S395 WeakPolarHBondContact O-CB 3.26Å; L391-S395 PolarHBondContact O-N 3.35Å; L391-S395 PolarHBondContact O-OG 3.48Å; L391-F398 HydrophobicContact CB-CD2 4.08Å; L391-F398 HydrophobicContact CB-CE2 3.41Å; L391-F398 VanDerWaalsContact CB-CE2 3.41Å; L391-F398 HydrophobicContact CB-CZ 4.27Å; L391-F398 HydrophobicContact CD1-CE2 4.43Å
392	Q	88.5	Confident	89	Confident	61 Å²	61	65.6 Å²	65.6	29%	0.285	33%	0.329	S	S	.	.	H	α-helix	trans	-64.3	-35.2	174.3	-177.7	178.8	-13.3	0	0	112.6	F388 F389 L390 F398	F388-Q392 WeakPolarHBondContact O-CB 3.37Å; F388-Q392 PolarHBondContact O-N 3.44Å; F389-Q392 PolarHBondContact O-N 2.88Å; L390-Q392 VanDerWaalsContact C-N 3.3Å; L390-Q392 PolarHBondContact O-N 3.16Å; Q392-F398 HydrophobicContact CB-CD2 4.24Å
393	D	87.3	Confident	88.2	Confident	27 Å²	27	66.2 Å²	66.2	14%	0.144	33%	0.333	C	S	.	.	H	α-helix	trans	-86.3	-36.8	-179	-76.5	-17.1	0	0	0	113.6	R313 T317 F389 L390 L391	R313-D393 IonicContact CZ-OD1 2.84Å; R313-D393 IonicContact NE-OD1 2.84Å; R313-D393 PolarHBondContact NE-OD1 3.36Å; R313-D393 IonicContact NH2-OD1 3.83Å; R313-D393 PolarHBondContact NH2-OD1 3.34Å; T317-D393 WeakPolarHBondContact CB-OD2 3.39Å; T317-D393 PolarHBondContact OG1-OD2 3.3Å; F389-D393 PolarHBondContact O-N 3.09Å; L390-D393 PolarHBondContact O-N 3.5Å; L391-D393 VanDerWaalsContact C-N 3.31Å; L391-D393 PolarHBondContact O-N 2.97Å
394	F	89.9	Confident	87.4	Confident	132 Å²	132	69 Å²	69	58%	0.579	34%	0.344	S	S	*	.	H	α-helix	trans	-111.8	-12.4	-170.3	-64.6	-77	0	0	0	114.9	V318 L390	V318-F394 HydrophobicContact CG2-CE2 3.61Å; V318-F394 HydrophobicContact CG2-CZ 3.65Å; L390-F394 HydrophobicContact CD2-CD2 4.25Å; L390-F394 HydrophobicContact CD2-CE2 4.06Å; L390-F394 WeakPolarHBondContact O-CB 3.33Å; L390-F394 WeakPolarHBondContact O-CD2 3.36Å; L390-F394 PolarHBondContact O-N 3.46Å
395	S	86.8	Confident	86.9	Confident	35 Å²	35	69.2 Å²	69.2	25%	0.245	35%	0.345	C	S	.	.			trans	-114.2	145.7	-177.5	88.3	0	0	0	0	112.4	L391 L397	L391-S395 WeakPolarHBondContact O-CA 3.23Å; L391-S395 VanDerWaalsContact O-CB 3.23Å; L391-S395 WeakPolarHBondContact O-CB 3.26Å; L391-S395 PolarHBondContact O-N 3.35Å; L391-S395 PolarHBondContact O-OG 3.48Å; S395-L397 PolarHBondContact O-N 3.43Å; S395-L397 WeakPolarHBondContact OG-CB 3.43Å; S395-L397 PolarHBondContact OG-N 3.45Å
396	T	82.1	Confident	86.5	Confident	99 Å²	99	70 Å²	70	61%	0.607	35%	0.349	S	S	*	.	S	Bend	trans	-79.6	-3.5	170.8	53.8	0	0	0	0	112.8	F398 R399 N400	T396-F398 VanDerWaalsContact C-N 3.32Å; T396-F398 PolarHBondContact O-N 2.94Å; T396-R399 WeakPolarHBondContact O-CB 3.26Å; T396-R399 PolarHBondContact O-N 3.48Å; T396-N400 PolarHBondContact O-N 2.85Å
397	L	82.6	Confident	86.1	Confident	95 Å²	95	71.5 Å²	71.5	50%	0.497	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-54.2	-48.1	-174.8	-178.6	65.8	0	0	0	111.7	S395 R399 N400 M401	S395-L397 PolarHBondContact O-N 3.43Å; S395-L397 WeakPolarHBondContact OG-CB 3.43Å; S395-L397 PolarHBondContact OG-N 3.45Å; L397-R399 VanDerWaalsContact C-N 3.32Å; L397-R399 PolarHBondContact O-N 3.43Å; L397-N400 PolarHBondContact O-N 2.59Å; L397-M401 PolarHBondContact O-N 3.29Å
398	F	81.9	Confident	85.7	Confident	28 Å²	28	71.9 Å²	71.9	12%	0.123	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-77.9	-16	-179.3	-63.9	-58.2	0	0	0	113.8	F388 L391 Q392 T396 N400 M401 T406 V409	F388-F398 HydrophobicContact CD2-CE1 4.19Å; F388-F398 AromaticContact CD2-CE2 4Å; F388-F398 HydrophobicContact CD2-CE2 4Å; F388-F398 AromaticContact CD2-CZ 3.55Å; F388-F398 HydrophobicContact CD2-CZ 3.55Å; F388-F398 HydrophobicContact CE2-CD1 4.46Å; F388-F398 AromaticContact CE2-CE1 3.87Å; F388-F398 HydrophobicContact CE2-CE1 3.87Å; F388-F398 HydrophobicContact CE2-CE2 4.05Å; F388-F398 AromaticContact CE2-CZ 3.63Å; F388-F398 HydrophobicContact CE2-CZ 3.63Å; F388-F398 HydrophobicContact CG-CZ 4.49Å; L391-F398 HydrophobicContact CB-CD2 4.08Å; L391-F398 HydrophobicContact CB-CE2 3.41Å; L391-F398 VanDerWaalsContact CB-CE2 3.41Å; L391-F398 HydrophobicContact CB-CZ 4.27Å; L391-F398 HydrophobicContact CD1-CE2 4.43Å; Q392-F398 HydrophobicContact CB-CD2 4.24Å; T396-F398 VanDerWaalsContact C-N 3.32Å; T396-F398 PolarHBondContact O-N 2.94Å; F398-N400 VanDerWaalsContact C-N 3.32Å; F398-M401 HydrophobicContact CD1-SD 4.08Å; F398-M401 HydrophobicContact CE1-SD 4.33Å; F398-T406 HydrophobicContact CB-CG2 4.28Å; F398-T406 HydrophobicContact CD1-CG2 3.97Å; F398-T406 HydrophobicContact CG-CG2 4.31Å; F398-V409 HydrophobicContact CE1-CG1 4.28Å
399	R	74.3	Confident	85.5	Confident	214 Å²	214	74 Å²	74	81%	0.808	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-71.8	-30.3	173.4	-175	176	173.2	169.4	-1.6	111.7	T396 L397	T396-R399 WeakPolarHBondContact O-CB 3.26Å; T396-R399 PolarHBondContact O-N 3.48Å; L397-R399 VanDerWaalsContact C-N 3.32Å; L397-R399 PolarHBondContact O-N 3.43Å
400	N	81.7	Confident	85.4	Confident	131 Å²	131	73 Å²	73	70%	0.701	36%	0.363	S	S	*	.	S	Bend	trans	-94.5	-9.3	-180	-62.5	-20.3	0	0	0	113.1	T396 L397 F398	T396-N400 PolarHBondContact O-N 2.85Å; L397-N400 PolarHBondContact O-N 2.59Å; F398-N400 VanDerWaalsContact C-N 3.32Å
401	M	83.5	Confident	85.3	Confident	53 Å²	53	71.9 Å²	71.9	26%	0.261	36%	0.359	S	S	.	.	S	Bend	trans	-86.6	139.2	-178.5	-176.7	176.2	-73.2	0	0	110.4	L397 F398 E403 T405 V409	L397-M401 PolarHBondContact O-N 3.29Å; F398-M401 HydrophobicContact CD1-SD 4.08Å; F398-M401 HydrophobicContact CE1-SD 4.33Å; M401-E403 PolarHBondContact O-N 3.47Å; M401-T405 HydrophobicContact CE-CG2 4.36Å; M401-T405 HydrophobicContact CG-CG2 3.91Å; M401-T405 HydrophobicContact SD-CG2 3.57Å; M401-T405 VanDerWaalsContact SD-CG2 3.57Å; M401-V409 HydrophobicContact SD-CG2 4.42Å
402	P	86.3	Confident	85.3	Confident	72 Å²	72	72.8 Å²	72.8	47%	0.468	36%	0.363	S	S	.	.			trans	-55.6	140.2	173.6	-25.8	34.8	0	0	0	112.3	H404 T405 T406	P402-H404 WeakPolarHBondContact CB-CE1 3.41Å; P402-H404 VanDerWaalsContact CB-ND1 3.34Å; P402-H404 WeakPolarHBondContact CB-ND1 3.42Å; P402-H404 PolarHBondContact O-N 2.9Å; P402-H404 VanDerWaalsContact O-N 3.14Å; P402-T405 WeakPolarHBondContact O-CB 3.23Å; P402-T405 PolarHBondContact O-N 3.14Å; P402-T406 PolarHBondContact O-N 3.47Å; P402-T406 PolarHBondContact O-OG1 3.27Å
403	E	77.9	Confident	85.6	Confident	31 Å²	31	70.8 Å²	70.8	15%	0.145	36%	0.355	C	S	.	.	H	α-helix	trans	-56.2	-36.7	-175.1	-168.8	-165.5	149.5	0	0	113	F4 V7 M401 T405 T406 R407	F4-E403 HydrophobicContact CE1-CG 4.09Å; F4-E403 VanDerWaalsContact CE1-OE1 3.31Å; F4-E403 WeakPolarHBondContact CE1-OE1 3.43Å; V7-E403 HydrophobicContact CG1-CB 4.29Å; M401-E403 PolarHBondContact O-N 3.47Å; E403-T405 VanDerWaalsContact C-N 3.34Å; E403-T406 PolarHBondContact O-N 3.06Å; E403-R407 WeakPolarHBondContact O-CB 3.38Å; E403-R407 WeakPolarHBondContact O-CG 3.28Å; E403-R407 PolarHBondContact O-N 3.07Å; E403-R407 PolarHBondContact O-NE 3.5Å; E403-R407 IonicContact OE1-CZ 3.81Å; E403-R407 VanDerWaalsContact OE1-CZ 3.29Å; E403-R407 IonicContact OE1-NE 3.01Å; E403-R407 IonicContact OE1-NH1 2.98Å; E403-R407 IonicContact OE1-NH2 3.43Å; E403-R407 PolarHBondContact OE1-NH2 3.2Å
404	H	80.5	Confident	85.8	Confident	126 Å²	126	69.7 Å²	69.7	58%	0.583	35%	0.349	S	S	*	.	H	α-helix	trans	-63.9	-40.4	177.1	73.2	-86.4	0	0	0	111.6	P402 L408	P402-H404 WeakPolarHBondContact CB-CE1 3.41Å; P402-H404 VanDerWaalsContact CB-ND1 3.34Å; P402-H404 WeakPolarHBondContact CB-ND1 3.42Å; P402-H404 PolarHBondContact O-N 2.9Å; P402-H404 VanDerWaalsContact O-N 3.14Å; H404-L408 WeakPolarHBondContact O-CB 3.32Å; H404-L408 PolarHBondContact O-N 3.38Å
405	T	86.1	Confident	86	Confident	41 Å²	41	66.8 Å²	66.8	25%	0.252	33%	0.334	S	S	.	.	H	α-helix	trans	-68.9	-45.2	178.3	-42	0	0	0	0	110.3	M401 P402 E403 R407 L408 V409	M401-T405 HydrophobicContact CE-CG2 4.36Å; M401-T405 HydrophobicContact CG-CG2 3.91Å; M401-T405 HydrophobicContact SD-CG2 3.57Å; M401-T405 VanDerWaalsContact SD-CG2 3.57Å; P402-T405 WeakPolarHBondContact O-CB 3.23Å; P402-T405 PolarHBondContact O-N 3.14Å; E403-T405 VanDerWaalsContact C-N 3.34Å; T405-R407 VanDerWaalsContact C-N 3.31Å; T405-R407 PolarHBondContact O-N 3.49Å; T405-L408 PolarHBondContact O-N 2.83Å; T405-L408 VanDerWaalsContact O-N 3.17Å; T405-V409 VanDerWaalsContact O-CG2 3.32Å; T405-V409 WeakPolarHBondContact O-CG2 3.35Å; T405-V409 PolarHBondContact O-N 3.32Å
406	T	86.6	Confident	86.5	Confident	26 Å²	26	67.8 Å²	67.8	16%	0.16	34%	0.336	C	S	.	.	H	α-helix	trans	-59.5	-42.2	176.7	-58.1	0	0	0	0	111.5	F388 F398 P402 E403 V409 Y410	F388-T406 HydrophobicContact CE2-CG2 4.41Å; F388-T406 HydrophobicContact CZ-CG2 4.2Å; F398-T406 HydrophobicContact CB-CG2 4.28Å; F398-T406 HydrophobicContact CD1-CG2 3.97Å; F398-T406 HydrophobicContact CG-CG2 4.31Å; P402-T406 PolarHBondContact O-N 3.47Å; P402-T406 PolarHBondContact O-OG1 3.27Å; E403-T406 PolarHBondContact O-N 3.06Å; T406-V409 PolarHBondContact O-N 2.88Å; T406-Y410 WeakPolarHBondContact O-CB 3.37Å; T406-Y410 PolarHBondContact O-N 3.48Å
407	R	84.3	Confident	87.1	Confident	57 Å²	57	63.2 Å²	63.2	22%	0.215	31%	0.309	C	S	.	.	H	α-helix	trans	-64.7	-40.6	175.1	-78	-176.4	-74.7	-178.9	-11.2	112.9	F4 H199 E403 T405 Y410 G411	F4-R407 HydrophobicContact CE1-CG 4.3Å; F4-R407 HydrophobicContact CZ-CG 4.06Å; H199-R407 PolarHBondContact CD2-NH1 3.27Å; H199-R407 PolarHBondContact ND1-NH1 3.05Å; E403-R407 WeakPolarHBondContact O-CB 3.38Å; E403-R407 WeakPolarHBondContact O-CG 3.28Å; E403-R407 PolarHBondContact O-N 3.07Å; E403-R407 PolarHBondContact O-NE 3.5Å; E403-R407 IonicContact OE1-CZ 3.81Å; E403-R407 VanDerWaalsContact OE1-CZ 3.29Å; E403-R407 IonicContact OE1-NE 3.01Å; E403-R407 IonicContact OE1-NH1 2.98Å; E403-R407 IonicContact OE1-NH2 3.43Å; E403-R407 PolarHBondContact OE1-NH2 3.2Å; T405-R407 VanDerWaalsContact C-N 3.31Å; T405-R407 PolarHBondContact O-N 3.49Å; R407-Y410 PolarHBondContact O-N 3.33Å; R407-G411 PolarHBondContact O-N 3.14Å
408	L	86.7	Confident	87.7	Confident	87 Å²	87	58.7 Å²	58.7	46%	0.455	29%	0.285	S	S	.	.	H	α-helix	trans	-63.5	-47.2	175.8	-175.9	67.7	0	0	0	110.8	H404 T405 Y410 G411 M412	H404-L408 WeakPolarHBondContact O-CB 3.32Å; H404-L408 PolarHBondContact O-N 3.38Å; T405-L408 PolarHBondContact O-N 2.83Å; T405-L408 VanDerWaalsContact O-N 3.17Å; L408-Y410 PolarHBondContact O-N 3.44Å; L408-G411 PolarHBondContact O-N 2.87Å; L408-M412 WeakPolarHBondContact O-CG 3.33Å; L408-M412 PolarHBondContact O-N 2.82Å
409	V	90.8	Very high	88.3	Confident	51 Å²	51	57.8 Å²	57.8	31%	0.309	28%	0.282	S	S	.	.	H	α-helix	trans	-59.7	-46.1	177	173.9	0	0	0	0	110.7	F388 F398 M401 T405 T406 G411 M412 C413	F388-V409 HydrophobicContact CD2-CG1 3.92Å; F388-V409 HydrophobicContact CE2-CB 4.47Å; F388-V409 HydrophobicContact CE2-CG1 4.06Å; F398-V409 HydrophobicContact CE1-CG1 4.28Å; M401-V409 HydrophobicContact SD-CG2 4.42Å; T405-V409 VanDerWaalsContact O-CG2 3.32Å; T405-V409 WeakPolarHBondContact O-CG2 3.35Å; T405-V409 PolarHBondContact O-N 3.32Å; T406-V409 PolarHBondContact O-N 2.88Å; V409-G411 PolarHBondContact O-N 2.9Å; V409-M412 PolarHBondContact O-N 2.78Å; V409-C413 WeakPolarHBondContact O-CB 3.47Å; V409-C413 PolarHBondContact O-N 3.16Å; V409-C413 PolarHBondContact O-SG 2.97Å; V409-C413 VanDerWaalsContact O-SG 3.4Å
410	Y	90.7	Very high	89.3	Confident	63 Å²	63	47.8 Å²	47.8	25%	0.247	25%	0.245	C	C	.	.	H	α-helix	trans	-56.8	-49.3	173.9	175.1	-115.1	0	0	0	111.6	I196 F388 F389 T406 R407 L408 M412 C413 H414	I196-Y410 HydrophobicContact CD1-CD1 4.34Å; I196-Y410 HydrophobicContact CD1-CE1 3.86Å; I196-Y410 HydrophobicContact CG1-CD1 4.17Å; I196-Y410 HydrophobicContact CG1-CE1 3.78Å; F388-Y410 AromaticContact CD1-CD2 3.76Å; F388-Y410 HydrophobicContact CD1-CD2 3.76Å; F388-Y410 AromaticContact CE1-CD2 3.45Å; F388-Y410 HydrophobicContact CE1-CD2 3.45Å; F388-Y410 VanDerWaalsContact CE1-CD2 3.45Å; F388-Y410 HydrophobicContact CE1-CE2 4.35Å; F388-Y410 HydrophobicContact CE1-CG 4.06Å; F388-Y410 AromaticContact CZ-CD2 3.98Å; F388-Y410 HydrophobicContact CZ-CD2 3.98Å; F388-Y410 HydrophobicContact CZ-CG 4.14Å; F389-Y410 HydrophobicContact CE1-CE2 4.24Å; F389-Y410 AromaticContact CZ-CE2 3.83Å; F389-Y410 HydrophobicContact CZ-CE2 3.83Å; T406-Y410 WeakPolarHBondContact O-CB 3.37Å; T406-Y410 PolarHBondContact O-N 3.48Å; R407-Y410 PolarHBondContact O-N 3.33Å; L408-Y410 PolarHBondContact O-N 3.44Å; Y410-M412 VanDerWaalsContact C-N 3.31Å; Y410-M412 PolarHBondContact O-N 2.74Å; Y410-C413 PolarHBondContact O-N 2.9Å; Y410-H414 WeakPolarHBondContact O-CB 3.19Å; Y410-H414 PolarHBondContact O-N 2.91Å
411	G	90.3	Very high	90	Very high	8 Å²	8	41.6 Å²	41.6	8%	0.082	21%	0.212	C	C	.	.	H	α-helix	trans	-56.9	-43.3	178.3	0	0	0	0	0	112.5	Y60 R407 L408 V409 H414 W415	Y60-G411 PolarHBondContact OH-O 3.3Å; Y60-G411 VanDerWaalsContact OH-O 3.11Å; R407-G411 PolarHBondContact O-N 3.14Å; L408-G411 PolarHBondContact O-N 2.87Å; V409-G411 PolarHBondContact O-N 2.9Å; G411-H414 PolarHBondContact O-N 3.39Å; G411-W415 WeakPolarHBondContact O-CB 3.32Å; G411-W415 PolarHBondContact O-N 2.91Å
412	M	92.5	Very high	90.5	Very high	92 Å²	92	40.9 Å²	40.9	45%	0.453	21%	0.207	S	C	.	.	H	α-helix	trans	-66.6	-47.9	177	-65.7	-53.6	-65.3	0	0	112.3	L408 V409 Y410 H414 W415 I416	L408-M412 WeakPolarHBondContact O-CG 3.33Å; L408-M412 PolarHBondContact O-N 2.82Å; V409-M412 PolarHBondContact O-N 2.78Å; Y410-M412 VanDerWaalsContact C-N 3.31Å; Y410-M412 PolarHBondContact O-N 2.74Å; M412-H414 VanDerWaalsContact C-N 3.29Å; M412-H414 PolarHBondContact O-N 2.02Å; M412-W415 PolarHBondContact O-N 2.94Å; M412-I416 VanDerWaalsContact O-CG1 3.29Å; M412-I416 WeakPolarHBondContact O-CG1 3.27Å; M412-I416 PolarHBondContact O-N 3.31Å
413	C	94.6	Very high	91	Very high	18 Å²	18	38.6 Å²	38.6	12%	0.122	19%	0.192	C	C	.	.	H	α-helix	trans	-58.8	-42.8	176.4	-72.9	0	0	0	0	111.7	P384 S385 F388 V409 Y410 I416 A417	P384-C413 HydrophobicContact CB-CB 4.12Å; S385-C413 VanDerWaalsContact OG-C 3.25Å; S385-C413 PolarHBondContact OG-O 3.16Å; F388-C413 HydrophobicContact CB-CB 4.35Å; V409-C413 WeakPolarHBondContact O-CB 3.47Å; V409-C413 PolarHBondContact O-N 3.16Å; V409-C413 PolarHBondContact O-SG 2.97Å; V409-C413 VanDerWaalsContact O-SG 3.4Å; Y410-C413 PolarHBondContact O-N 2.9Å; C413-I416 PolarHBondContact O-N 3.43Å; C413-A417 PolarHBondContact O-N 2.99Å; C413-A417 VanDerWaalsContact O-N 3.1Å
414	H	92.4	Very high	91.8	Very high	5 Å²	5	37.1 Å²	37.1	2%	0.023	19%	0.185	C	C	.	.	H	α-helix	trans	-65.2	-45	177.8	179.8	-79.3	0	0	0	111.5	Y60 T192 I196 Y410 G411 M412 I416 A417 M418	Y60-H414 AromaticContact CE1-ND1 3.93Å; Y60-H414 PolarHBondContact OH-ND1 3.08Å; T192-H414 WeakPolarHBondContact CB-NE2 3.41Å; T192-H414 PolarHBondContact OG1-CE1 3.04Å; T192-H414 PolarHBondContact OG1-NE2 3.23Å; I196-H414 HydrophobicContact CD1-CB 4.1Å; Y410-H414 WeakPolarHBondContact O-CB 3.19Å; Y410-H414 PolarHBondContact O-N 2.91Å; G411-H414 PolarHBondContact O-N 3.39Å; M412-H414 VanDerWaalsContact C-N 3.29Å; M412-H414 PolarHBondContact O-N 2.02Å; H414-I416 PolarHBondContact O-N 3.4Å; H414-A417 PolarHBondContact O-N 3.33Å; H414-M418 WeakPolarHBondContact CE1-CE 3.33Å; H414-M418 VanDerWaalsContact CE1-CG 3.42Å; H414-M418 WeakPolarHBondContact CE1-CG 3.42Å; H414-M418 WeakPolarHBondContact NE2-CE 3.31Å; H414-M418 VanDerWaalsContact O-CG 3.32Å; H414-M418 WeakPolarHBondContact O-CG 3.01Å; H414-M418 PolarHBondContact O-N 2.89Å
415	W	94.2	Very high	92.5	Very high	70 Å²	70	31.4 Å²	31.4	27%	0.265	16%	0.159	S	C	.	.	H	α-helix	trans	-62.1	-42.4	177.3	177.9	73.9	0	0	0	112.4	V59 Y60 T63 G411 M412 A417 M418 S419	V59-W415 HydrophobicContact CG1-CD2 3.99Å; V59-W415 HydrophobicContact CG1-CG 4.33Å; V59-W415 HydrophobicContact CG1-CH2 4.32Å; V59-W415 HydrophobicContact CG1-CZ2 3.37Å; Y60-W415 AromaticContact CD2-CD1 3.79Å; Y60-W415 HydrophobicContact CD2-CG 4.47Å; Y60-W415 HydrophobicContact CE2-CB 3.79Å; Y60-W415 AromaticContact CE2-CD1 3.73Å; Y60-W415 HydrophobicContact CE2-CG 4.03Å; T63-W415 PolarHBondContact OG1-NE1 3.14Å; G411-W415 WeakPolarHBondContact O-CB 3.32Å; G411-W415 PolarHBondContact O-N 2.91Å; M412-W415 PolarHBondContact O-N 2.94Å; W415-A417 VanDerWaalsContact C-N 3.3Å; W415-A417 PolarHBondContact O-N 3.01Å; W415-M418 PolarHBondContact O-N 3.02Å; W415-S419 WeakPolarHBondContact O-CB 3.39Å; W415-S419 PolarHBondContact O-N 3.18Å; W415-S419 PolarHBondContact O-OG 2.98Å
416	I	96	Very high	93	Very high	56 Å²	56	33.1 Å²	33.1	29%	0.287	17%	0.166	S	C	.	.	H	α-helix	trans	-59.9	-42.7	175.5	-67	167	0	0	0	110.3	C381 P384 M412 C413 H414 S419	C381-I416 HydrophobicContact CB-CG2 4.49Å; C381-I416 VanDerWaalsContact CB-O 3.31Å; C381-I416 WeakPolarHBondContact CB-O 3.45Å; C381-I416 CarbonylContact O-C 3.55Å; P384-I416 HydrophobicContact CG-CD1 4.43Å; P384-I416 HydrophobicContact CG-CG2 4.1Å; M412-I416 VanDerWaalsContact O-CG1 3.29Å; M412-I416 WeakPolarHBondContact O-CG1 3.27Å; M412-I416 PolarHBondContact O-N 3.31Å; C413-I416 PolarHBondContact O-N 3.43Å; H414-I416 PolarHBondContact O-N 3.4Å; I416-S419 WeakPolarHBondContact O-CB 3.4Å; I416-S419 PolarHBondContact O-N 3.32Å
417	A	95.8	Very high	93.4	Very high	3 Å²	3	32 Å²	32	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-63.6	-46.3	175.5	0	0	0	0	0	112.6	C381 W382 S385 C413 H414 W415 S419 N420	C381-A417 WeakPolarHBondContact O-CA 3.44Å; C381-A417 PolarHBondContact O-N 3.15Å; W382-A417 HydrophobicContact CD2-CB 4.18Å; W382-A417 HydrophobicContact CE3-CB 3.96Å; W382-A417 HydrophobicContact CZ3-CB 4.16Å; S385-A417 WeakPolarHBondContact OG-CB 3.44Å; C413-A417 PolarHBondContact O-N 2.99Å; C413-A417 VanDerWaalsContact O-N 3.1Å; H414-A417 PolarHBondContact O-N 3.33Å; W415-A417 VanDerWaalsContact C-N 3.3Å; W415-A417 PolarHBondContact O-N 3.01Å; A417-S419 PolarHBondContact O-N 2.74Å; A417-N420 WeakPolarHBondContact O-CB 3.08Å; A417-N420 PolarHBondContact O-N 3.42Å
418	M	94.3	Very high	93.8	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-62.8	-29.9	178.5	-70.7	-58.9	168.7	0	0	113	T63 M184 C188 I189 Q215 H414 W415 N420 S421	T63-M418 HydrophobicContact CG2-CB 4.41Å; M184-M418 HydrophobicContact CE-CE 3.86Å; M184-M418 HydrophobicContact CE-SD 3.49Å; M184-M418 WeakPolarHBondContact CE-SD 2.98Å; C188-M418 HydrophobicContact CB-CE 4.33Å; I189-M418 HydrophobicContact CD1-CB 4.23Å; I189-M418 HydrophobicContact CD1-SD 4.42Å; I189-M418 HydrophobicContact CG1-CB 4.02Å; I189-M418 HydrophobicContact CG1-CG 3.97Å; I189-M418 HydrophobicContact CG1-SD 3.61Å; Q215-M418 VanDerWaalsContact CD-CE 3.47Å; Q215-M418 HydrophobicContact CG-CE 4.26Å; Q215-M418 VanDerWaalsContact OE1-CE 3.25Å; H414-M418 WeakPolarHBondContact CE1-CE 3.33Å; H414-M418 VanDerWaalsContact CE1-CG 3.42Å; H414-M418 WeakPolarHBondContact CE1-CG 3.42Å; H414-M418 WeakPolarHBondContact NE2-CE 3.31Å; H414-M418 VanDerWaalsContact O-CG 3.32Å; H414-M418 WeakPolarHBondContact O-CG 3.01Å; H414-M418 PolarHBondContact O-N 2.89Å; W415-M418 PolarHBondContact O-N 3.02Å; M418-N420 PolarHBondContact O-N 3.44Å; M418-S421 WeakPolarHBondContact O-CB 3.36Å; M418-S421 PolarHBondContact O-N 3.48Å; M418-S421 VanDerWaalsContact O-N 3.13Å; M418-S421 PolarHBondContact O-OG 3.08Å
419	S	95.1	Very high	94.1	Very high	9 Å²	9	28.1 Å²	28.1	6%	0.063	14%	0.142	C	C	.	.	H	α-helix	trans	-62.7	-24.5	178.4	-62.6	0	0	0	0	113.3	W415 I416 A417 S421 F422 V423	W415-S419 WeakPolarHBondContact O-CB 3.39Å; W415-S419 PolarHBondContact O-N 3.18Å; W415-S419 PolarHBondContact O-OG 2.98Å; I416-S419 WeakPolarHBondContact O-CB 3.4Å; I416-S419 PolarHBondContact O-N 3.32Å; A417-S419 PolarHBondContact O-N 2.74Å; S419-S421 PolarHBondContact O-N 2.63Å; S419-S421 VanDerWaalsContact O-N 3.09Å; S419-F422 VanDerWaalsContact CB-CE1 3.43Å; S419-F422 WeakPolarHBondContact O-CD1 3.33Å; S419-F422 PolarHBondContact O-N 2.71Å; S419-F422 WeakPolarHBondContact OG-CE1 3.45Å; S419-V423 VanDerWaalsContact O-CG2 3.26Å; S419-V423 WeakPolarHBondContact O-CG2 3.42Å; S419-V423 PolarHBondContact O-N 2.79Å
420	N	95.5	Very high	94.2	Very high	3 Å²	3	31 Å²	31	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-50.9	-35.6	172.7	-177.3	68	0	0	0	112.8	F378 C381 W382 A417 M418 F422 V423	F378-N420 VanDerWaalsContact CA-OD1 3.32Å; F378-N420 WeakPolarHBondContact CA-OD1 3.24Å; C381-N420 HydrophobicContact CB-CB 3.78Å; W382-N420 PolarHBondContact NE1-ND2 3.31Å; A417-N420 WeakPolarHBondContact O-CB 3.08Å; A417-N420 PolarHBondContact O-N 3.42Å; M418-N420 PolarHBondContact O-N 3.44Å; N420-F422 PolarHBondContact O-N 3.5Å; N420-V423 PolarHBondContact O-N 3.08Å
421	S	95.5	Very high	94.2	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.014	15%	0.151	C	C	.	.	H	α-helix	trans	-66.3	-35.9	-175.2	67.2	0	0	0	0	113.6	S67 N71 M418 S419	S67-S421 VanDerWaalsContact CB-OG 3.31Å; S67-S421 WeakPolarHBondContact CB-OG 3.28Å; S67-S421 WeakPolarHBondContact OG-CB 3.43Å; S67-S421 PolarHBondContact OG-OG 3.27Å; N71-S421 PolarHBondContact ND2-O 3.43Å; M418-S421 WeakPolarHBondContact O-CB 3.36Å; M418-S421 PolarHBondContact O-N 3.48Å; M418-S421 VanDerWaalsContact O-N 3.13Å; M418-S421 PolarHBondContact O-OG 3.08Å; S419-S421 PolarHBondContact O-N 2.63Å; S419-S421 VanDerWaalsContact O-N 3.09Å
422	F	95.3	Very high	94	Very high	37 Å²	37	30.1 Å²	30.1	16%	0.162	15%	0.154	C	C	.	.	H	α-helix	trans	-92.6	-19.8	178.9	73.6	-103.7	0	0	0	113.7	T63 S419 N420 N424 P425 I426	T63-F422 HydrophobicContact CG2-CD1 3.82Å; T63-F422 HydrophobicContact CG2-CE1 3.91Å; S419-F422 VanDerWaalsContact CB-CE1 3.43Å; S419-F422 WeakPolarHBondContact O-CD1 3.33Å; S419-F422 PolarHBondContact O-N 2.71Å; S419-F422 WeakPolarHBondContact OG-CE1 3.45Å; N420-F422 PolarHBondContact O-N 3.5Å; F422-N424 VanDerWaalsContact C-N 3.25Å; F422-N424 PolarHBondContact O-N 3.48Å; F422-P425 WeakPolarHBondContact O-CD 3.42Å; F422-I426 HydrophobicContact CD2-CD1 3.63Å; F422-I426 HydrophobicContact CE2-CD1 3.9Å
423	V	96.5	Very high	93.4	Very high	24 Å²	24	29.4 Å²	29.4	15%	0.145	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-34.8	179.7	166	0	0	0	0	111.1	M377 S419 N420 I426 I427	M377-V423 HydrophobicContact CB-CG1 3.86Å; M377-V423 HydrophobicContact CG-CG1 3.74Å; S419-V423 VanDerWaalsContact O-CG2 3.26Å; S419-V423 WeakPolarHBondContact O-CG2 3.42Å; S419-V423 PolarHBondContact O-N 2.79Å; N420-V423 PolarHBondContact O-N 3.08Å; V423-I426 WeakPolarHBondContact O-CB 3.35Å; V423-I426 PolarHBondContact O-N 3.02Å; V423-I426 VanDerWaalsContact O-N 3.15Å; V423-I427 HydrophobicContact CG1-CD1 3.57Å; V423-I427 HydrophobicContact CG1-CG1 4Å; V423-I427 VanDerWaalsContact O-CG1 3.31Å; V423-I427 WeakPolarHBondContact O-CG1 3.35Å; V423-I427 PolarHBondContact O-N 2.72Å
424	N	94.6	Very high	92.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-56.8	-56.2	-179.6	-73.6	-19.6	0	0	0	113.5	D181 F422 I426 I427 Y428	D181-N424 PolarHBondContact OD2-ND2 3.05Å; F422-N424 VanDerWaalsContact C-N 3.25Å; F422-N424 PolarHBondContact O-N 3.48Å; N424-I426 VanDerWaalsContact C-N 3.29Å; N424-I426 PolarHBondContact O-N 2.97Å; N424-I427 PolarHBondContact O-N 2.96Å; N424-I427 VanDerWaalsContact O-N 3.13Å; N424-Y428 HydrophobicContact CB-CE2 4.17Å; N424-Y428 WeakPolarHBondContact O-CD2 3.43Å; N424-Y428 PolarHBondContact O-N 2.99Å
425	P	95	Very high	92.2	Very high	6 Å²	6	31 Å²	31	4%	0.039	16%	0.157	C	C	.	.	H	α-helix	trans	-49.8	-43.5	170.4	-30.4	33.8	0	0	0	114.8	N71 F422 I427 Y428 L429	N71-P425 WeakPolarHBondContact OD1-CG 3.48Å; F422-P425 WeakPolarHBondContact O-CD 3.42Å; P425-I427 VanDerWaalsContact C-N 3.35Å; P425-I427 PolarHBondContact O-N 2.85Å; P425-Y428 PolarHBondContact O-N 2.81Å; P425-L429 WeakPolarHBondContact O-CG 3.33Å; P425-L429 PolarHBondContact O-N 3.08Å
426	I	95.8	Very high	91.9	Very high	77 Å²	77	30.6 Å²	30.6	40%	0.395	16%	0.156	S	C	.	.	H	α-helix	trans	-62.1	-44.5	178.5	-64.2	176.6	0	0	0	110.3	F422 V423 N424 Y428 L429 I430	F422-I426 HydrophobicContact CD2-CD1 3.63Å; F422-I426 HydrophobicContact CE2-CD1 3.9Å; V423-I426 WeakPolarHBondContact O-CB 3.35Å; V423-I426 PolarHBondContact O-N 3.02Å; V423-I426 VanDerWaalsContact O-N 3.15Å; N424-I426 VanDerWaalsContact C-N 3.29Å; N424-I426 PolarHBondContact O-N 2.97Å; I426-Y428 VanDerWaalsContact C-N 3.33Å; I426-Y428 PolarHBondContact O-N 2.95Å; I426-L429 WeakPolarHBondContact O-CB 3.44Å; I426-L429 PolarHBondContact O-N 3.47Å; I426-I430 HydrophobicContact CG2-CD1 3.7Å; I426-I430 HydrophobicContact CG2-CG1 4.42Å; I426-I430 WeakPolarHBondContact O-CG1 3.31Å; I426-I430 PolarHBondContact O-N 3.12Å
427	I	95.7	Very high	91.3	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.015	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-42.9	176.9	-64.9	172.5	0	0	0	110.9	M370 F373 I374 M377 V423 N424 P425 L429 I430 M431	M370-I427 HydrophobicContact CG-CG2 3.72Å; F373-I427 HydrophobicContact CD1-CB 4.43Å; F373-I427 HydrophobicContact CD1-CD1 3.47Å; F373-I427 VanDerWaalsContact CD1-CD1 3.47Å; F373-I427 HydrophobicContact CD1-CG1 3.55Å; F373-I427 HydrophobicContact CD1-CG2 4.06Å; F373-I427 HydrophobicContact CE1-CD1 3.84Å; F373-I427 HydrophobicContact CE1-CG1 3.72Å; F373-I427 HydrophobicContact CG-CD1 4.46Å; I374-I427 HydrophobicContact CB-CD1 4.44Å; I374-I427 HydrophobicContact CD1-CG2 4.28Å; I374-I427 HydrophobicContact CG1-CB 4.24Å; I374-I427 HydrophobicContact CG1-CD1 3.76Å; I374-I427 HydrophobicContact CG1-CG2 3.79Å; M377-I427 HydrophobicContact CB-CD1 4.45Å; M377-I427 HydrophobicContact CG-CD1 4.01Å; V423-I427 HydrophobicContact CG1-CD1 3.57Å; V423-I427 HydrophobicContact CG1-CG1 4Å; V423-I427 VanDerWaalsContact O-CG1 3.31Å; V423-I427 WeakPolarHBondContact O-CG1 3.35Å; V423-I427 PolarHBondContact O-N 2.72Å; N424-I427 PolarHBondContact O-N 2.96Å; N424-I427 VanDerWaalsContact O-N 3.13Å; P425-I427 VanDerWaalsContact C-N 3.35Å; P425-I427 PolarHBondContact O-N 2.85Å; I427-L429 VanDerWaalsContact C-N 3.33Å; I427-L429 PolarHBondContact O-N 3.19Å; I427-I430 PolarHBondContact O-N 2.89Å; I427-M431 HydrophobicContact CG2-CG 4.48Å; I427-M431 HydrophobicContact CG2-SD 4.02Å; I427-M431 WeakPolarHBondContact O-CB 3.37Å; I427-M431 PolarHBondContact O-N 3.23Å
428	Y	92.8	Very high	90.7	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.012	16%	0.164	C	C	.	.	H	α-helix	trans	-61.9	-42.1	175.8	-58.8	-46.7	0	0	0	111.8	A74 F78 L174 M370 I374 N424 P425 I426 I430 S432 F435	A74-Y428 HydrophobicContact CB-CD2 4.4Å; F78-Y428 HydrophobicContact CE2-CD2 4.1Å; F78-Y428 AromaticContact CE2-CE2 3.91Å; F78-Y428 HydrophobicContact CE2-CE2 3.91Å; F78-Y428 HydrophobicContact CZ-CD1 4.16Å; F78-Y428 AromaticContact CZ-CD2 3.99Å; F78-Y428 HydrophobicContact CZ-CD2 3.99Å; F78-Y428 HydrophobicContact CZ-CE1 4.19Å; F78-Y428 HydrophobicContact CZ-CE2 4.07Å; F78-Y428 HydrophobicContact CZ-CG 4.08Å; L174-Y428 HydrophobicContact CD2-CE1 4.01Å; L174-Y428 WeakPolarHBondContact CD2-OH 3.44Å; M370-Y428 HydrophobicContact CE-CD1 4.08Å; M370-Y428 HydrophobicContact CE-CE1 4.12Å; M370-Y428 HydrophobicContact SD-CD1 3.93Å; M370-Y428 HydrophobicContact SD-CE1 4.49Å; I374-Y428 HydrophobicContact CD1-CD1 4.32Å; I374-Y428 HydrophobicContact CD1-CE1 3.49Å; I374-Y428 VanDerWaalsContact CD1-CE1 3.49Å; N424-Y428 HydrophobicContact CB-CE2 4.17Å; N424-Y428 WeakPolarHBondContact O-CD2 3.43Å; N424-Y428 PolarHBondContact O-N 2.99Å; P425-Y428 PolarHBondContact O-N 2.81Å; I426-Y428 VanDerWaalsContact C-N 3.33Å; I426-Y428 PolarHBondContact O-N 2.95Å; Y428-I430 PolarHBondContact O-N 2.86Å; Y428-S432 WeakPolarHBondContact O-CA 3.38Å; Y428-S432 WeakPolarHBondContact O-CB 3.4Å; Y428-S432 PolarHBondContact O-N 2.98Å; Y428-F435 HydrophobicContact CD2-CE2 4.28Å; Y428-F435 HydrophobicContact CG-CD2 4.35Å; Y428-F435 HydrophobicContact CG-CE2 4.39Å
429	L	92.7	Very high	90.3	Very high	58 Å²	58	33.8 Å²	33.8	30%	0.304	17%	0.173	S	C	.	.	H	α-helix	trans	-62.8	-39.1	176.7	-75.1	170.4	0	0	0	112.6	P425 I426 I427 F435 R436 F439	P425-L429 WeakPolarHBondContact O-CG 3.33Å; P425-L429 PolarHBondContact O-N 3.08Å; I426-L429 WeakPolarHBondContact O-CB 3.44Å; I426-L429 PolarHBondContact O-N 3.47Å; I427-L429 VanDerWaalsContact C-N 3.33Å; I427-L429 PolarHBondContact O-N 3.19Å; L429-F435 HydrophobicContact CD2-CD1 3.9Å; L429-F435 HydrophobicContact CD2-CE1 3.62Å; L429-F435 HydrophobicContact CG-CD1 4.26Å; L429-F435 HydrophobicContact CG-CE1 3.84Å; L429-R436 WeakPolarHBondContact O-CD 3.39Å; L429-R436 WeakPolarHBondContact O-CG 3.18Å; L429-F439 HydrophobicContact CD2-CB 4.23Å; L429-F439 HydrophobicContact CD2-CD1 3.46Å; L429-F439 VanDerWaalsContact CD2-CD1 3.46Å; L429-F439 HydrophobicContact CD2-CD2 4.09Å; L429-F439 HydrophobicContact CD2-CE1 3.7Å; L429-F439 HydrophobicContact CD2-CE2 4.32Å; L429-F439 HydrophobicContact CD2-CG 3.66Å; L429-F439 HydrophobicContact CD2-CZ 4.14Å
430	I	93.3	Very high	89.9	Confident	112 Å²	112	37.5 Å²	37.5	57%	0.574	19%	0.188	S	C	*	.	H	α-helix	trans	-79.1	-46.1	-178.7	-63.9	169.2	0	0	0	110.6	I426 I427 Y428	I426-I430 HydrophobicContact CG2-CD1 3.7Å; I426-I430 HydrophobicContact CG2-CG1 4.42Å; I426-I430 WeakPolarHBondContact O-CG1 3.31Å; I426-I430 PolarHBondContact O-N 3.12Å; I427-I430 PolarHBondContact O-N 2.89Å; Y428-I430 PolarHBondContact O-N 2.86Å
431	M	89.7	Confident	89.3	Confident	33 Å²	33	40.3 Å²	40.3	16%	0.163	20%	0.201	C	C	.	.	H	α-helix	trans	-107.8	-16.8	-162.5	-59.3	-176.2	75	0	0	114.4	R366 K369 M370 F373 I427	R366-M431 VanDerWaalsContact CZ-O 3.22Å; R366-M431 PolarHBondContact NE-O 3Å; R366-M431 PolarHBondContact NH2-O 3.28Å; K369-M431 HydrophobicContact CB-CE 4.19Å; K369-M431 HydrophobicContact CD-CE 3.99Å; K369-M431 HydrophobicContact CG-CE 3.76Å; M370-M431 HydrophobicContact CB-CB 3.86Å; M370-M431 HydrophobicContact CB-CE 4.21Å; M370-M431 HydrophobicContact CB-SD 4.37Å; M370-M431 HydrophobicContact CG-CB 3.77Å; M370-M431 HydrophobicContact SD-CB 4.34Å; F373-M431 HydrophobicContact CB-SD 4.1Å; F373-M431 HydrophobicContact CD1-SD 4.02Å; F373-M431 HydrophobicContact CG-SD 4.25Å; I427-M431 HydrophobicContact CG2-CG 4.48Å; I427-M431 HydrophobicContact CG2-SD 4.02Å; I427-M431 WeakPolarHBondContact O-CB 3.37Å; I427-M431 PolarHBondContact O-N 3.23Å
432	S	86.7	Confident	88.7	Confident	20 Å²	20	41.7 Å²	41.7	14%	0.14	21%	0.208	C	C	.	.			trans	-99	108.3	179	-176.9	0	0	0	0	112.5	Y428 S434 F435 R436	Y428-S432 WeakPolarHBondContact O-CA 3.38Å; Y428-S432 WeakPolarHBondContact O-CB 3.4Å; Y428-S432 PolarHBondContact O-N 2.98Å; S432-S434 VanDerWaalsContact C-N 3.31Å; S432-S434 PolarHBondContact O-N 3.47Å; S432-F435 PolarHBondContact O-N 2.85Å; S432-F435 WeakPolarHBondContact OG-CB 3.47Å; S432-F435 PolarHBondContact OG-N 3.18Å; S432-R436 WeakPolarHBondContact O-CG 3.28Å; S432-R436 PolarHBondContact O-N 3.47Å
433	R	79.6	Confident	88.2	Confident	76 Å²	76	42.5 Å²	42.5	29%	0.287	21%	0.214	S	C	.	.	H	α-helix	trans	-56.3	-49	176.7	-65.5	-170.8	162.6	145.3	-7.2	111.5	H132 E363 F435 R436 T437	H132-R433 PolarHBondContact CD2-NH2 3.09Å; H132-R433 PolarHBondContact NE2-NH1 2.97Å; H132-R433 PolarHBondContact NE2-NH2 3.36Å; E363-R433 IonicContact OE2-CZ 2.78Å; E363-R433 IonicContact OE2-NH1 2.88Å; E363-R433 PolarHBondContact OE2-NH1 2.7Å; R433-F435 VanDerWaalsContact C-N 3.29Å; R433-F435 PolarHBondContact O-N 3.2Å; R433-R436 PolarHBondContact O-N 2.68Å; R433-T437 PolarHBondContact O-N 2.84Å; R433-T437 PolarHBondContact O-OG1 3.41Å
434	S	76.7	Confident	87.5	Confident	54 Å²	54	46.3 Å²	46.3	38%	0.378	23%	0.23	S	C	.	.	H	α-helix	trans	-65.8	-34.3	-175.7	-176.1	0	0	0	0	111.6	K81 S432 D438	K81-S434 WeakPolarHBondContact CE-OG 3.4Å; K81-S434 PolarHBondContact NZ-OG 3.23Å; S432-S434 VanDerWaalsContact C-N 3.31Å; S432-S434 PolarHBondContact O-N 3.47Å; S434-D438 PolarHBondContact O-N 3.15Å
435	F	85.7	Confident	86.8	Confident	2 Å²	2	51 Å²	51	1%	0.009	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-48.6	173.1	-168.6	-87.1	0	0	0	111.6	A74 I77 F78 Y428 L429 S432 R433 T437 D438 F439	A74-F435 HydrophobicContact CB-CE2 3.79Å; A74-F435 HydrophobicContact CB-CZ 3.98Å; I77-F435 HydrophobicContact CB-CD2 4.42Å; I77-F435 HydrophobicContact CB-CE2 4.22Å; I77-F435 HydrophobicContact CD1-CD1 4.29Å; I77-F435 HydrophobicContact CD1-CD2 4.12Å; I77-F435 HydrophobicContact CD1-CE1 3.92Å; I77-F435 HydrophobicContact CD1-CE2 3.78Å; I77-F435 HydrophobicContact CD1-CG 4.38Å; I77-F435 HydrophobicContact CD1-CZ 3.66Å; I77-F435 HydrophobicContact CG2-CD2 3.96Å; I77-F435 HydrophobicContact CG2-CE2 4.27Å; F78-F435 AromaticContact CE1-CD2 3.94Å; F78-F435 HydrophobicContact CE1-CD2 3.94Å; F78-F435 HydrophobicContact CE1-CE2 4.44Å; F78-F435 HydrophobicContact CE2-CD2 4.45Å; F78-F435 HydrophobicContact CE2-CE2 4.19Å; F78-F435 AromaticContact CZ-CD2 3.73Å; F78-F435 HydrophobicContact CZ-CD2 3.73Å; F78-F435 AromaticContact CZ-CE2 3.9Å; F78-F435 HydrophobicContact CZ-CE2 3.9Å; Y428-F435 HydrophobicContact CD2-CE2 4.28Å; Y428-F435 HydrophobicContact CG-CD2 4.35Å; Y428-F435 HydrophobicContact CG-CE2 4.39Å; L429-F435 HydrophobicContact CD2-CD1 3.9Å; L429-F435 HydrophobicContact CD2-CE1 3.62Å; L429-F435 HydrophobicContact CG-CD1 4.26Å; L429-F435 HydrophobicContact CG-CE1 3.84Å; S432-F435 PolarHBondContact O-N 2.85Å; S432-F435 WeakPolarHBondContact OG-CB 3.47Å; S432-F435 PolarHBondContact OG-N 3.18Å; R433-F435 VanDerWaalsContact C-N 3.29Å; R433-F435 PolarHBondContact O-N 3.2Å; F435-T437 VanDerWaalsContact C-N 3.31Å; F435-T437 PolarHBondContact O-N 3.04Å; F435-D438 PolarHBondContact O-N 2.87Å; F435-F439 HydrophobicContact CD1-CB 4.36Å; F435-F439 HydrophobicContact CE1-CB 4.38Å; F435-F439 VanDerWaalsContact O-CB 3.31Å; F435-F439 WeakPolarHBondContact O-CB 3.48Å; F435-F439 PolarHBondContact O-N 2.84Å
436	R	87.4	Confident	86.1	Confident	63 Å²	63	55.7 Å²	55.7	24%	0.238	29%	0.285	C	S	.	.	H	α-helix	trans	-56.8	-42.6	178.7	-68.9	-171.1	-54.7	-176.6	14.4	112.8	D129 L429 S432 R433 F439 K440	D129-R436 IonicContact OD1-NH2 3.97Å; D129-R436 PolarHBondContact OD1-NH2 3.48Å; D129-R436 IonicContact OD2-CZ 3.92Å; D129-R436 IonicContact OD2-NH2 3.83Å; D129-R436 PolarHBondContact OD2-NH2 3.03Å; L429-R436 WeakPolarHBondContact O-CD 3.39Å; L429-R436 WeakPolarHBondContact O-CG 3.18Å; S432-R436 WeakPolarHBondContact O-CG 3.28Å; S432-R436 PolarHBondContact O-N 3.47Å; R433-R436 PolarHBondContact O-N 2.68Å; R436-F439 PolarHBondContact O-N 3.16Å; R436-K440 WeakPolarHBondContact O-CB 3.39Å; R436-K440 WeakPolarHBondContact O-CG 3.47Å; R436-K440 PolarHBondContact O-N 3.3Å
437	T	83.2	Confident	85.4	Confident	51 Å²	51	58.2 Å²	58.2	31%	0.313	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-44.5	179	-56.8	0	0	0	0	111.7	R433 F435 Q441	R433-T437 PolarHBondContact O-N 2.84Å; R433-T437 PolarHBondContact O-OG1 3.41Å; F435-T437 VanDerWaalsContact C-N 3.31Å; F435-T437 PolarHBondContact O-N 3.04Å; T437-Q441 WeakPolarHBondContact O-CG 3.32Å; T437-Q441 PolarHBondContact O-N 3.26Å; T437-Q441 VanDerWaalsContact O-N 3.14Å
438	D	83.8	Confident	84	Confident	33 Å²	33	62.7 Å²	62.7	18%	0.176	32%	0.323	C	S	.	.	H	α-helix	trans	-71.9	-36	178.7	-70.9	-29	0	0	0	111.9	I77 K81 S434 F435 Q441 I442	I77-D438 HydrophobicContact CD1-CB 4.46Å; I77-D438 HydrophobicContact CG1-CB 4.28Å; I77-D438 HydrophobicContact CG2-CB 3.84Å; K81-D438 WeakPolarHBondContact CE-OD2 3.5Å; K81-D438 WeakPolarHBondContact CG-OD2 3.35Å; K81-D438 IonicContact NZ-OD2 3.5Å; S434-D438 PolarHBondContact O-N 3.15Å; F435-D438 PolarHBondContact O-N 2.87Å; D438-Q441 WeakPolarHBondContact O-CB 3.34Å; D438-Q441 PolarHBondContact O-N 3.19Å; D438-I442 WeakPolarHBondContact O-CG1 3.43Å; D438-I442 PolarHBondContact O-N 3.01Å
439	F	86.8	Confident	82.4	Confident	43 Å²	43	68.4 Å²	68.4	19%	0.189	36%	0.362	C	S	.	.	H	α-helix	trans	-61.9	-46.1	173.5	-177.8	-108.6	0	0	0	111.6	I73 I77 L429 F435 R436 Q441 I442 L443	I73-F439 HydrophobicContact CD1-CE2 4.14Å; I73-F439 HydrophobicContact CG2-CD2 3.76Å; I73-F439 HydrophobicContact CG2-CE2 4Å; I77-F439 HydrophobicContact CD1-CB 4.06Å; I77-F439 HydrophobicContact CD1-CD2 4.46Å; L429-F439 HydrophobicContact CD2-CB 4.23Å; L429-F439 HydrophobicContact CD2-CD1 3.46Å; L429-F439 VanDerWaalsContact CD2-CD1 3.46Å; L429-F439 HydrophobicContact CD2-CD2 4.09Å; L429-F439 HydrophobicContact CD2-CE1 3.7Å; L429-F439 HydrophobicContact CD2-CE2 4.32Å; L429-F439 HydrophobicContact CD2-CG 3.66Å; L429-F439 HydrophobicContact CD2-CZ 4.14Å; F435-F439 HydrophobicContact CD1-CB 4.36Å; F435-F439 HydrophobicContact CE1-CB 4.38Å; F435-F439 VanDerWaalsContact O-CB 3.31Å; F435-F439 WeakPolarHBondContact O-CB 3.48Å; F435-F439 PolarHBondContact O-N 2.84Å; R436-F439 PolarHBondContact O-N 3.16Å; F439-Q441 VanDerWaalsContact C-N 3.29Å; F439-Q441 PolarHBondContact O-N 3.18Å; F439-I442 PolarHBondContact O-N 2.97Å; F439-I442 VanDerWaalsContact O-N 3.09Å; F439-L443 HydrophobicContact CD1-CD1 3.85Å; F439-L443 HydrophobicContact CD1-CG 4.34Å; F439-L443 HydrophobicContact CE1-CD1 3.37Å; F439-L443 HydrophobicContact CE1-CG 3.99Å; F439-L443 HydrophobicContact CE2-CG 4.47Å; F439-L443 HydrophobicContact CZ-CD1 3.85Å; F439-L443 HydrophobicContact CZ-CD2 4.16Å; F439-L443 HydrophobicContact CZ-CG 4.05Å; F439-L443 PolarHBondContact O-N 2.84Å
440	K	86.8	Confident	80.7	Confident	86 Å²	86	74.9 Å²	74.9	37%	0.374	38%	0.382	S	S	.	.	H	α-helix	trans	-57.7	-40.8	173.3	-74.5	179.2	-172.9	178.9	0	111.7	D129 R436 L443 Q444	D129-K440 IonicContact OD2-NZ 2.81Å; D129-K440 PolarHBondContact OD2-NZ 3.42Å; R436-K440 WeakPolarHBondContact O-CB 3.39Å; R436-K440 WeakPolarHBondContact O-CG 3.47Å; R436-K440 PolarHBondContact O-N 3.3Å; K440-L443 PolarHBondContact O-N 2.88Å; K440-Q444 WeakPolarHBondContact O-CB 3.47Å; K440-Q444 VanDerWaalsContact O-CG 3.25Å; K440-Q444 WeakPolarHBondContact O-CG 3.33Å; K440-Q444 PolarHBondContact O-N 3.11Å
441	Q	81.8	Confident	78.7	Confident	63 Å²	63	77.6 Å²	77.6	29%	0.294	39%	0.39	S	S	.	.	H	α-helix	trans	-64.4	-38.9	175.2	-72.1	174	22.4	0	0	112.5	T437 D438 F439 Q444 C445	T437-Q441 WeakPolarHBondContact O-CG 3.32Å; T437-Q441 PolarHBondContact O-N 3.26Å; T437-Q441 VanDerWaalsContact O-N 3.14Å; D438-Q441 WeakPolarHBondContact O-CB 3.34Å; D438-Q441 PolarHBondContact O-N 3.19Å; F439-Q441 VanDerWaalsContact C-N 3.29Å; F439-Q441 PolarHBondContact O-N 3.18Å; Q441-Q444 PolarHBondContact O-N 3.4Å; Q441-C445 PolarHBondContact O-N 3.13Å; Q441-C445 VanDerWaalsContact O-N 3.13Å; Q441-C445 PolarHBondContact O-SG 3.5Å
442	I	83.1	Confident	76.5	Confident	31 Å²	31	80.4 Å²	80.4	16%	0.159	41%	0.413	C	S	.	.	H	α-helix	trans	-65.3	-45.7	175.2	-69.4	168.6	0	0	0	110.2	I77 D438 F439 Q444 C445 I446	I77-I442 HydrophobicContact CD1-CD1 3.98Å; I77-I442 HydrophobicContact CG1-CD1 3.51Å; D438-I442 WeakPolarHBondContact O-CG1 3.43Å; D438-I442 PolarHBondContact O-N 3.01Å; F439-I442 PolarHBondContact O-N 2.97Å; F439-I442 VanDerWaalsContact O-N 3.09Å; I442-Q444 VanDerWaalsContact C-N 3.33Å; I442-Q444 PolarHBondContact O-N 2.87Å; I442-C445 WeakPolarHBondContact O-CB 3.49Å; I442-C445 PolarHBondContact O-N 3.11Å; I442-I446 HydrophobicContact CG2-CD1 3.72Å; I442-I446 HydrophobicContact CG2-CG1 4.45Å; I442-I446 WeakPolarHBondContact O-CG1 3.29Å; I442-I446 PolarHBondContact O-N 3.48Å
443	L	85.2	Confident	74.9	Confident	53 Å²	53	86.6 Å²	86.6	28%	0.277	45%	0.445	S	S	.	.	H	α-helix	trans	-60	-41.2	176	-72.2	179.3	0	0	0	112.3	F439 K440 C445 I446 F447	F439-L443 HydrophobicContact CD1-CD1 3.85Å; F439-L443 HydrophobicContact CD1-CG 4.34Å; F439-L443 HydrophobicContact CE1-CD1 3.37Å; F439-L443 HydrophobicContact CE1-CG 3.99Å; F439-L443 HydrophobicContact CE2-CG 4.47Å; F439-L443 HydrophobicContact CZ-CD1 3.85Å; F439-L443 HydrophobicContact CZ-CD2 4.16Å; F439-L443 HydrophobicContact CZ-CG 4.05Å; F439-L443 PolarHBondContact O-N 2.84Å; K440-L443 PolarHBondContact O-N 2.88Å; L443-C445 VanDerWaalsContact C-N 3.26Å; L443-C445 PolarHBondContact O-N 3Å; L443-I446 PolarHBondContact O-N 3.38Å; L443-F447 HydrophobicContact CD2-CD2 4.28Å; L443-F447 HydrophobicContact CD2-CE2 4.24Å; L443-F447 PolarHBondContact O-N 3.45Å
444	Q	81.8	Confident	73.5	Confident	105 Å²	105	90.4 Å²	90.4	49%	0.491	47%	0.47	S	S	.	.	H	α-helix	trans	-63.9	-29.5	174.8	-74.8	172	-13.6	0	0	113	K440 Q441 I442	K440-Q444 WeakPolarHBondContact O-CB 3.47Å; K440-Q444 VanDerWaalsContact O-CG 3.25Å; K440-Q444 WeakPolarHBondContact O-CG 3.33Å; K440-Q444 PolarHBondContact O-N 3.11Å; Q441-Q444 PolarHBondContact O-N 3.4Å; I442-Q444 VanDerWaalsContact C-N 3.33Å; I442-Q444 PolarHBondContact O-N 2.87Å
445	C	79	Confident	72.1	Confident	99 Å²	99	95 Å²	95	67%	0.669	49%	0.49	S	S	*	.	H	α-helix	trans	-76.1	-34.2	174	-68.8	0	0	0	0	112.7	Q441 I442 L443	Q441-C445 PolarHBondContact O-N 3.13Å; Q441-C445 VanDerWaalsContact O-N 3.13Å; Q441-C445 PolarHBondContact O-SG 3.5Å; I442-C445 WeakPolarHBondContact O-CB 3.49Å; I442-C445 PolarHBondContact O-N 3.11Å; L443-C445 VanDerWaalsContact C-N 3.26Å; L443-C445 PolarHBondContact O-N 3Å
446	I	81.6	Confident	70.2	Confident	105 Å²	105	102.2 Å²	102.2	54%	0.538	53%	0.528	S	S	.	.	H	α-helix	trans	-81.4	-39.3	-179.1	-63.7	169.5	0	0	0	111	I442 L443 P448	I442-I446 HydrophobicContact CG2-CD1 3.72Å; I442-I446 HydrophobicContact CG2-CG1 4.45Å; I442-I446 WeakPolarHBondContact O-CG1 3.29Å; I442-I446 PolarHBondContact O-N 3.48Å; L443-I446 PolarHBondContact O-N 3.38Å; I446-P448 VanDerWaalsContact C-CD 3.41Å; I446-P448 WeakPolarHBondContact O-CD 3.13Å
447	F	80.6	Confident	67.9	Low	130 Å²	130	107.3 Å²	107.3	57%	0.57	56%	0.56	S	S	*	*			trans	-117.2	75.7	-179.6	-58.6	-74.5	0	0	0	110.1	L443 C449 W450	L443-F447 HydrophobicContact CD2-CD2 4.28Å; L443-F447 HydrophobicContact CD2-CE2 4.24Å; L443-F447 PolarHBondContact O-N 3.45Å; F447-C449 PolarHBondContact O-N 2.77Å; F447-W450 PolarHBondContact O-N 2.81Å
448	P	66.4	Low	65.9	Low	96 Å²	96	113.4 Å²	113.4	62%	0.623	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-16.6	-178.1	21	-30.6	0	0	0	114	I446 W450	I446-P448 VanDerWaalsContact C-CD 3.41Å; I446-P448 WeakPolarHBondContact O-CD 3.13Å; P448-W450 VanDerWaalsContact C-N 3.3Å; P448-W450 PolarHBondContact O-N 2.72Å
449	C	59	Low	65	Low	123 Å²	123	117.5 Å²	117.5	83%	0.831	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-12.3	177.9	-64.7	0	0	0	0	114.5	F447 K451	F447-C449 PolarHBondContact O-N 2.77Å; C449-K451 PolarHBondContact O-N 3.44Å
450	W	55.9	Low	63.8	Low	194 Å²	194	121.4 Å²	121.4	74%	0.735	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	19.9	-176.5	-147.1	54.7	0	0	0	114.2	F447 P448	F447-W450 PolarHBondContact O-N 2.81Å; P448-W450 VanDerWaalsContact C-N 3.3Å; P448-W450 PolarHBondContact O-N 2.72Å
451	K	51.6	Low	62.6	Low	170 Å²	170	123.3 Å²	123.3	74%	0.739	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	7.9	-171.3	-150.5	-178.1	177.1	-172.9	0	114.2	C449	C449-K451 PolarHBondContact O-N 3.44Å
452	S	44.6	Very low	61.4	Low	92 Å²	92	126.9 Å²	126.9	64%	0.643	69%	0.686	S	S	*	*			trans	-98.7	14.3	-164.9	-160.6	0	0	0	0	117.8
453	D	52	Low	60.1	Low	150 Å²	150	132.9 Å²	132.9	80%	0.802	72%	0.719	S	S	*	*	S	Bend	trans	-118.3	1.6	-175.9	-67.4	-28.8	0	0	0	116.2
454	N	51.1	Low	58.4	Low	155 Å²	155	138.2 Å²	138.2	83%	0.829	75%	0.749	S	S	*	*	S	Bend	trans	-123.2	17	-177.3	-74.7	-43.9	0	0	0	115.2
455	L	47.2	Very low	56.7	Low	150 Å²	150	140.6 Å²	140.6	79%	0.785	77%	0.767	S	S	*	*	S	Bend	trans	-116.8	15.4	176.9	-75.6	171.3	0	0	0	114.1
456	L	45.5	Very low	55	Low	154 Å²	154	143.8 Å²	143.8	81%	0.806	78%	0.775	S	S	*	*	S	Bend	trans	-114.6	7.6	177.7	-85.4	158.5	0	0	0	114.5
457	N	38.7	Very low	52.8	Low	171 Å²	171	147 Å²	147	91%	0.914	79%	0.794	S	S	*	*			trans	-133.7	30.2	-179	-84.2	-23.8	0	0	0	114.3
458	S	41.1	Very low	50.3	Low	179 Å²	179	148.5 Å²	148.5	100%	1.252	82%	0.815	S	S	*	*			trans	-131.3	0	165.5	167	0	0	0	0	108.3

Retrieved 458 of 458 residues in 287 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).