A0A077YWL1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YWL1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 516 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	31.2	Very low	32	Very low	236 Å²	236	156.2 Å²	156.2	100%	1.163	86%	0.855	S	S	*	*				0	53.6	0	-165.1	-179.7	151.7	0	0	110.3
2	V	29.4	Very low	32.8	Very low	145 Å²	145	153.8 Å²	153.8	88%	0.879	84%	0.838	S	S	*	*			trans	-145.4	33.6	173.1	-171.3	0	0	0	0	108.2
3	I	32.4	Very low	32.9	Very low	163 Å²	163	149.1 Å²	149.1	84%	0.836	81%	0.811	S	S	*	*			trans	-105.8	3.9	-171.8	-67.4	177.3	0	0	0	112
4	L	29	Very low	33.7	Very low	167 Å²	167	145.4 Å²	145.4	87%	0.874	80%	0.802	S	S	*	*	S	Bend	trans	-119.7	10.6	-164.3	-90.5	162.2	0	0	0	118.3
5	L	33.7	Very low	34	Very low	172 Å²	172	138.2 Å²	138.2	90%	0.901	76%	0.764	S	S	*	*	S	Bend	trans	-117.4	9.6	-173.1	-83	166.6	0	0	0	117.5
6	M	32.3	Very low	34.3	Very low	176 Å²	176	135.1 Å²	135.1	87%	0.867	75%	0.746	S	S	*	*			trans	-115.8	33.8	-174.7	-71.1	-121.7	152.5	0	0	115
7	K	30.9	Very low	34.5	Very low	204 Å²	204	136.9 Å²	136.9	89%	0.887	74%	0.739	S	S	*	*	S	Bend	trans	-85.8	0	-174.6	-150.4	179	176	-176	0	115.7
8	E	32.1	Very low	34.8	Very low	187 Å²	187	136.8 Å²	136.8	87%	0.874	74%	0.737	S	S	*	*	S	Bend	trans	-130.8	15.1	-164.4	-75.4	-174.5	165.6	0	0	118.9
9	A	32.8	Very low	35.2	Very low	68 Å²	68	134.5 Å²	134.5	56%	0.562	72%	0.723	S	S	*	*			trans	-135.1	93.2	176.2	0	0	0	0	0	113.8	G11	A9-G11 PolarHBondContact O-N 3.11Å
10	P	30.8	Very low	35.4	Very low	132 Å²	132	134.1 Å²	134.1	86%	0.857	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	99.4	175.6	32.4	-28.2	0	0	0	109.2
11	G	37	Very low	35.5	Very low	68 Å²	68	136.4 Å²	136.4	70%	0.701	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	171.5	-19.6	172.6	0	0	0	0	0	117.3	A9	A9-G11 PolarHBondContact O-N 3.11Å
12	I	41.6	Very low	35.8	Very low	127 Å²	127	128.2 Å²	128.2	65%	0.651	69%	0.694	S	S	*	*			trans	-110.4	14	-168.9	-53.6	171.1	0	0	0	111.9	S14 P15	I12-S14 PolarHBondContact O-N 3.33Å; I12-P15 WeakPolarHBondContact O-CD 3.43Å
13	L	34.5	Very low	36	Very low	93 Å²	93	126.3 Å²	126.3	49%	0.487	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.2	13.8	-157.3	-102.6	139	0	0	0	117.6	R17	L13-R17 HydrophobicContact CD2-CG 4.15Å; L13-R17 WeakPolarHBondContact O-CD 3.42Å; L13-R17 WeakPolarHBondContact O-CG 3.44Å
14	S	44.1	Very low	36.3	Very low	98 Å²	98	123.2 Å²	123.2	69%	0.685	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-32.2	-176.2	58.1	0	0	0	0	116.6	I12	I12-S14 PolarHBondContact O-N 3.33Å
15	P	38.9	Very low	36.5	Very low	37 Å²	37	120.3 Å²	120.3	24%	0.24	66%	0.661	C	S	.	*	T	Hydrogen-bonded Turn	trans	-93.1	-28.9	177.6	-3.2	23.3	0	0	0	113.3	I12 R17 L18 L19 F49	I12-P15 WeakPolarHBondContact O-CD 3.43Å; P15-R17 VanDerWaalsContact C-N 3.32Å; P15-R17 PolarHBondContact O-N 3.07Å; P15-L18 WeakPolarHBondContact O-CB 3.37Å; P15-L18 PolarHBondContact O-N 3.11Å; P15-L19 PolarHBondContact O-N 3.25Å; P15-F49 HydrophobicContact CB-CE2 4.17Å; P15-F49 HydrophobicContact CG-CE2 4.08Å; P15-F49 HydrophobicContact CG-CZ 4.26Å
16	L	38.6	Very low	36.6	Very low	89 Å²	89	117.9 Å²	117.9	47%	0.466	66%	0.659	S	S	.	*	H	α-helix	trans	-71.9	-24.8	177.9	-95.9	155.1	0	0	0	112.9	L18 L19 L20	L16-L18 VanDerWaalsContact C-N 3.31Å; L16-L19 HydrophobicContact CD2-CD1 4.47Å; L16-L19 WeakPolarHBondContact O-CB 3.37Å; L16-L19 PolarHBondContact O-N 3.11Å; L16-L20 PolarHBondContact O-N 2.69Å
17	R	36.5	Very low	37	Very low	166 Å²	166	118 Å²	118	63%	0.626	66%	0.657	S	S	*	*	H	α-helix	trans	-69.1	-27.1	170.7	-82.2	-176.5	170	-179.3	-2.6	113	L13 P15 F21	L13-R17 HydrophobicContact CD2-CG 4.15Å; L13-R17 WeakPolarHBondContact O-CD 3.42Å; L13-R17 WeakPolarHBondContact O-CG 3.44Å; P15-R17 VanDerWaalsContact C-N 3.32Å; P15-R17 PolarHBondContact O-N 3.07Å; R17-F21 WeakPolarHBondContact O-CD2 3.26Å; R17-F21 PolarHBondContact O-N 3.49Å
18	L	41.2	Very low	37.7	Very low	134 Å²	134	117 Å²	117	70%	0.702	66%	0.655	S	S	*	*	H	α-helix	trans	-74.2	-30.2	172.5	-88.7	153.1	0	0	0	111.9	P15 L16 L20 F21	P15-L18 WeakPolarHBondContact O-CB 3.37Å; P15-L18 PolarHBondContact O-N 3.11Å; L16-L18 VanDerWaalsContact C-N 3.31Å; L18-L20 VanDerWaalsContact C-N 3.34Å; L18-F21 PolarHBondContact O-N 3.47Å
19	L	41	Very low	38.4	Very low	93 Å²	93	111.3 Å²	111.3	49%	0.487	63%	0.63	S	S	.	*	H	α-helix	trans	-69.3	-28.7	173.4	-105.1	146.4	0	0	0	113.1	P15 L16 F38	P15-L19 PolarHBondContact O-N 3.25Å; L16-L19 HydrophobicContact CD2-CD1 4.47Å; L16-L19 WeakPolarHBondContact O-CB 3.37Å; L16-L19 PolarHBondContact O-N 3.11Å; L19-F38 HydrophobicContact CD2-CE2 4.32Å
20	L	40.3	Very low	39.2	Very low	126 Å²	126	111.5 Å²	111.5	66%	0.66	63%	0.626	S	S	*	*	H	α-helix	trans	-83.9	-16.1	173.7	-90.1	151.6	0	0	0	113.9	L16 L18	L16-L20 PolarHBondContact O-N 2.69Å; L18-L20 VanDerWaalsContact C-N 3.34Å
21	F	37.4	Very low	39.9	Very low	183 Å²	183	111.9 Å²	111.9	80%	0.803	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-5.8	176	-100.1	-86.6	0	0	0	114	R17 L18 C23	R17-F21 WeakPolarHBondContact O-CD2 3.26Å; R17-F21 PolarHBondContact O-N 3.49Å; L18-F21 PolarHBondContact O-N 3.47Å; F21-C23 PolarHBondContact O-N 3.43Å
22	A	36.7	Very low	40.3	Very low	65 Å²	65	119 Å²	119	54%	0.537	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.2	16.7	169.4	0	0	0	0	0	113.2	I24	A22-I24 PolarHBondContact O-N 3.44Å
23	C	34	Very low	40.7	Very low	104 Å²	104	117.6 Å²	117.6	70%	0.703	62%	0.617	S	S	*	*			trans	-64.8	66.1	156.3	-72.6	0	0	0	0	109.7	F21	F21-C23 PolarHBondContact O-N 3.43Å
24	I	38.6	Very low	41.2	Very low	99 Å²	99	115.6 Å²	115.6	51%	0.508	61%	0.613	S	S	.	*			trans	-61.6	127.2	162.1	-60.8	173.6	0	0	0	105.2	A22 S26 L29	A22-I24 PolarHBondContact O-N 3.44Å; I24-S26 PolarHBondContact O-N 2.96Å; I24-L29 HydrophobicContact CG2-CD1 3.87Å
25	P	34	Very low	41.5	Very low	106 Å²	106	114.2 Å²	114.2	69%	0.688	60%	0.598	S	S	*	*			trans	-52.5	118.3	-177.9	19.9	-30.9	0	0	0	109.1	H27	P25-H27 PolarHBondContact O-N 3.17Å
26	S	36	Very low	41.9	Very low	120 Å²	120	115.1 Å²	115.1	84%	0.839	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	31	-171.5	38.7	0	0	0	0	114.3	I24	I24-S26 PolarHBondContact O-N 2.96Å
27	H	40.6	Very low	42.5	Very low	178 Å²	178	114.7 Å²	114.7	82%	0.824	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.1	-1.2	-176.2	-97	-66.9	0	0	0	115.2	P25	P25-H27 PolarHBondContact O-N 3.17Å
28	Q	45.9	Very low	43.2	Very low	183 Å²	183	111.1 Å²	111.1	86%	0.855	59%	0.592	S	S	*	*	S	Bend	trans	-138.1	-1.2	-176.6	-71	-162.1	-6.1	0	0	117.4
29	L	46.1	Very low	43.7	Very low	68 Å²	68	107.6 Å²	107.6	36%	0.356	58%	0.576	S	S	.	*	S	Bend	trans	-112.3	131.2	172.5	-82.9	105.6	0	0	0	111.7	I24 L31 E33 L37	I24-L29 HydrophobicContact CG2-CD1 3.87Å; L29-L31 PolarHBondContact O-N 3.14Å; L29-E33 HydrophobicContact CD2-CB 3.8Å; L29-L37 HydrophobicContact CD2-CD1 4.01Å
30	P	48.7	Very low	44.1	Very low	72 Å²	72	109 Å²	109	47%	0.468	58%	0.583	S	S	.	*			trans	-58.6	139.1	169.6	25.1	-31.6	0	0	0	109.4	R32 E33 A34	P30-R32 PolarHBondContact O-N 3.45Å; P30-E33 WeakPolarHBondContact CD-OE2 3.41Å; P30-E33 HydrophobicContact CG-CB 4.18Å; P30-E33 VanDerWaalsContact CG-CD 3.47Å; P30-E33 HydrophobicContact CG-CG 3.84Å; P30-E33 PolarHBondContact O-N 3.44Å; P30-A34 PolarHBondContact O-N 3.42Å
31	L	46.9	Very low	44.7	Very low	140 Å²	140	106.5 Å²	106.5	73%	0.733	57%	0.573	S	S	*	*	H	α-helix	trans	-46.8	-32.9	-176.3	-162.1	105.4	0	0	0	113.3	L29 L35	L29-L31 PolarHBondContact O-N 3.14Å; L31-L35 HydrophobicContact CD2-CD1 3.91Å; L31-L35 HydrophobicContact CG-CD1 4.27Å; L31-L35 WeakPolarHBondContact O-CB 3.49Å; L31-L35 VanDerWaalsContact O-CG 3.25Å; L31-L35 WeakPolarHBondContact O-CG 3.25Å; L31-L35 PolarHBondContact O-N 3.38Å
32	R	45.3	Very low	45.4	Very low	217 Å²	217	99.6 Å²	99.6	82%	0.819	55%	0.547	S	S	*	.	H	α-helix	trans	-63.5	-38.1	177.4	-167.2	-180	-176.7	-158.8	0.5	113.5	P30 S36	P30-R32 PolarHBondContact O-N 3.45Å; R32-S36 PolarHBondContact O-N 3.4Å; R32-S36 VanDerWaalsContact O-N 3.09Å; R32-S36 PolarHBondContact O-OG 3.46Å
33	E	48.6	Very low	45.9	Very low	99 Å²	99	97.7 Å²	97.7	46%	0.463	53%	0.534	S	S	.	.	H	α-helix	trans	-81.1	-34.3	179.5	-69.7	175.2	-174	0	0	111.9	L29 P30 L35 S36 L37	L29-E33 HydrophobicContact CD2-CB 3.8Å; P30-E33 WeakPolarHBondContact CD-OE2 3.41Å; P30-E33 HydrophobicContact CG-CB 4.18Å; P30-E33 VanDerWaalsContact CG-CD 3.47Å; P30-E33 HydrophobicContact CG-CG 3.84Å; P30-E33 PolarHBondContact O-N 3.44Å; E33-L35 VanDerWaalsContact C-N 3.33Å; E33-S36 WeakPolarHBondContact CA-OG 3.33Å; E33-S36 PolarHBondContact O-N 3.44Å; E33-S36 PolarHBondContact O-OG 2.87Å; E33-L37 WeakPolarHBondContact O-CB 3.45Å; E33-L37 WeakPolarHBondContact O-CG 3.37Å; E33-L37 PolarHBondContact O-N 3.47Å
34	A	46.4	Very low	46.5	Very low	50 Å²	50	95.5 Å²	95.5	41%	0.413	52%	0.524	S	S	.	.	H	α-helix	trans	-63	-41.4	171.7	0	0	0	0	0	111.4	P30 F38	P30-A34 PolarHBondContact O-N 3.42Å; A34-F38 WeakPolarHBondContact O-CB 3.18Å; A34-F38 PolarHBondContact O-N 3.12Å
35	L	49	Very low	47	Very low	69 Å²	69	93.5 Å²	93.5	36%	0.361	52%	0.518	S	S	.	.	H	α-helix	trans	-69.9	-38.1	176.2	-72.7	170.7	0	0	0	112.7	L31 E33 F38 V39	L31-L35 HydrophobicContact CD2-CD1 3.91Å; L31-L35 HydrophobicContact CG-CD1 4.27Å; L31-L35 WeakPolarHBondContact O-CB 3.49Å; L31-L35 VanDerWaalsContact O-CG 3.25Å; L31-L35 WeakPolarHBondContact O-CG 3.25Å; L31-L35 PolarHBondContact O-N 3.38Å; E33-L35 VanDerWaalsContact C-N 3.33Å; L35-F38 PolarHBondContact O-N 3.33Å; L35-V39 WeakPolarHBondContact O-CG2 3.35Å; L35-V39 PolarHBondContact O-N 2.83Å
36	S	48.3	Very low	47.8	Very low	57 Å²	57	92.4 Å²	92.4	40%	0.399	51%	0.506	S	S	.	.	H	α-helix	trans	-67.2	-39.7	176.4	67.7	0	0	0	0	111.9	R32 E33 V39 L40	R32-S36 PolarHBondContact O-N 3.4Å; R32-S36 VanDerWaalsContact O-N 3.09Å; R32-S36 PolarHBondContact O-OG 3.46Å; E33-S36 WeakPolarHBondContact CA-OG 3.33Å; E33-S36 PolarHBondContact O-N 3.44Å; E33-S36 PolarHBondContact O-OG 2.87Å; S36-V39 PolarHBondContact O-N 2.73Å; S36-L40 WeakPolarHBondContact O-CB 3.45Å; S36-L40 WeakPolarHBondContact O-CG 3.34Å; S36-L40 PolarHBondContact O-N 2.93Å
37	L	50.3	Low	48.5	Very low	79 Å²	79	92 Å²	92	41%	0.414	49%	0.493	S	S	.	.	H	α-helix	trans	-63.1	-42.4	171.9	-78.6	168.3	0	0	0	111.4	L29 E33 V39 L40 V41	L29-L37 HydrophobicContact CD2-CD1 4.01Å; E33-L37 WeakPolarHBondContact O-CB 3.45Å; E33-L37 WeakPolarHBondContact O-CG 3.37Å; E33-L37 PolarHBondContact O-N 3.47Å; L37-V39 PolarHBondContact O-N 3.19Å; L37-L40 PolarHBondContact O-N 2.91Å; L37-V41 WeakPolarHBondContact O-CB 3.42Å; L37-V41 WeakPolarHBondContact O-CG2 3.33Å; L37-V41 PolarHBondContact O-N 3.3Å
38	F	51.2	Low	48.8	Very low	92 Å²	92	89.1 Å²	89.1	40%	0.404	48%	0.475	S	S	.	.	H	α-helix	trans	-60.5	-45.8	176.2	-176.2	-97.7	0	0	0	112	L19 A34 L35 V41 S42	L19-F38 HydrophobicContact CD2-CE2 4.32Å; A34-F38 WeakPolarHBondContact O-CB 3.18Å; A34-F38 PolarHBondContact O-N 3.12Å; L35-F38 PolarHBondContact O-N 3.33Å; F38-V41 PolarHBondContact O-N 3.39Å; F38-S42 WeakPolarHBondContact O-CB 3.35Å; F38-S42 PolarHBondContact O-N 3.49Å; F38-S42 PolarHBondContact O-OG 3.17Å
39	V	52.2	Low	48.8	Very low	59 Å²	59	84.9 Å²	84.9	36%	0.358	45%	0.454	S	S	.	.	H	α-helix	trans	-65.2	-39.5	178	172.3	0	0	0	0	111.9	L35 S36 L37 S42 G43	L35-V39 WeakPolarHBondContact O-CG2 3.35Å; L35-V39 PolarHBondContact O-N 2.83Å; S36-V39 PolarHBondContact O-N 2.73Å; L37-V39 PolarHBondContact O-N 3.19Å; V39-S42 WeakPolarHBondContact CA-OG 3.43Å; V39-S42 PolarHBondContact O-OG 2.87Å; V39-S42 VanDerWaalsContact O-OG 3.05Å; V39-G43 PolarHBondContact O-N 3.4Å
40	L	50	Low	48.6	Very low	122 Å²	122	86 Å²	86	64%	0.639	46%	0.46	S	S	*	.	H	α-helix	trans	-66.8	-42.5	175.9	-77.5	168.9	0	0	0	111.7	S36 L37 A44	S36-L40 WeakPolarHBondContact O-CB 3.45Å; S36-L40 WeakPolarHBondContact O-CG 3.34Å; S36-L40 PolarHBondContact O-N 2.93Å; L37-L40 PolarHBondContact O-N 2.91Å; L40-A44 WeakPolarHBondContact O-CB 3.42Å; L40-A44 PolarHBondContact O-N 3.4Å
41	V	52.3	Low	48.5	Very low	74 Å²	74	91.4 Å²	91.4	45%	0.448	47%	0.471	S	S	.	.	H	α-helix	trans	-68.6	-42.5	177.8	172.9	0	0	0	0	110.5	L37 F38 A44 C45	L37-V41 WeakPolarHBondContact O-CB 3.42Å; L37-V41 WeakPolarHBondContact O-CG2 3.33Å; L37-V41 PolarHBondContact O-N 3.3Å; F38-V41 PolarHBondContact O-N 3.39Å; V41-A44 PolarHBondContact O-N 3.36Å; V41-C45 VanDerWaalsContact O-CB 3.25Å; V41-C45 WeakPolarHBondContact O-CB 3.49Å; V41-C45 PolarHBondContact O-N 3.28Å; V41-C45 PolarHBondContact O-SG 3.39Å; V41-C45 VanDerWaalsContact O-SG 3.34Å
42	S	51.7	Low	48.3	Very low	38 Å²	38	93.1 Å²	93.1	27%	0.266	47%	0.468	S	S	.	.	H	α-helix	trans	-66.1	-41.6	176.7	67.3	0	0	0	0	111.9	F38 V39 C45 L46	F38-S42 WeakPolarHBondContact O-CB 3.35Å; F38-S42 PolarHBondContact O-N 3.49Å; F38-S42 PolarHBondContact O-OG 3.17Å; V39-S42 WeakPolarHBondContact CA-OG 3.43Å; V39-S42 PolarHBondContact O-OG 2.87Å; V39-S42 VanDerWaalsContact O-OG 3.05Å; S42-C45 PolarHBondContact O-N 3.31Å; S42-L46 WeakPolarHBondContact O-CB 3.46Å; S42-L46 WeakPolarHBondContact O-CG 3.27Å; S42-L46 PolarHBondContact O-N 3.22Å
43	G	47.6	Very low	47.9	Very low	26 Å²	26	84.7 Å²	84.7	27%	0.268	44%	0.441	S	S	.	.	H	α-helix	trans	-64.1	-45.1	175.1	0	0	0	0	0	112.3	V39 L46 I47	V39-G43 PolarHBondContact O-N 3.4Å; G43-L46 PolarHBondContact O-N 3.28Å; G43-I47 WeakPolarHBondContact O-CD1 3.45Å; G43-I47 VanDerWaalsContact O-CG1 3.24Å; G43-I47 WeakPolarHBondContact O-CG1 3.3Å; G43-I47 PolarHBondContact O-N 3.12Å
44	A	46.9	Very low	47.1	Very low	58 Å²	58	85.2 Å²	85.2	48%	0.479	45%	0.453	S	S	.	.	H	α-helix	trans	-64.4	-39.5	175.1	0	0	0	0	0	112.1	L40 V41 I47 W48	L40-A44 WeakPolarHBondContact O-CB 3.42Å; L40-A44 PolarHBondContact O-N 3.4Å; V41-A44 PolarHBondContact O-N 3.36Å; A44-I47 PolarHBondContact O-N 3.4Å; A44-W48 WeakPolarHBondContact O-CB 3.25Å; A44-W48 PolarHBondContact O-N 3.32Å
45	C	49.5	Very low	46.6	Very low	56 Å²	56	90.5 Å²	90.5	38%	0.378	47%	0.466	S	S	.	.	H	α-helix	trans	-64	-41.4	174.2	-81.3	0	0	0	0	112	V41 S42 W48 F49	V41-C45 VanDerWaalsContact O-CB 3.25Å; V41-C45 WeakPolarHBondContact O-CB 3.49Å; V41-C45 PolarHBondContact O-N 3.28Å; V41-C45 PolarHBondContact O-SG 3.39Å; V41-C45 VanDerWaalsContact O-SG 3.34Å; S42-C45 PolarHBondContact O-N 3.31Å; C45-W48 PolarHBondContact O-N 2.94Å; C45-F49 WeakPolarHBondContact O-CB 3.43Å; C45-F49 PolarHBondContact O-N 2.99Å
46	L	50.2	Low	45.8	Very low	83 Å²	83	91.4 Å²	91.4	44%	0.435	49%	0.493	S	S	.	.	H	α-helix	trans	-65.6	-43.5	175.5	-77.9	167.1	0	0	0	112	S42 G43 W48 F49 N50	S42-L46 WeakPolarHBondContact O-CB 3.46Å; S42-L46 WeakPolarHBondContact O-CG 3.27Å; S42-L46 PolarHBondContact O-N 3.22Å; G43-L46 PolarHBondContact O-N 3.28Å; L46-W48 VanDerWaalsContact C-N 3.31Å; L46-W48 PolarHBondContact O-N 2.92Å; L46-F49 PolarHBondContact O-N 3.49Å; L46-N50 WeakPolarHBondContact O-CB 3.42Å; L46-N50 PolarHBondContact O-N 2.88Å
47	I	51.3	Low	45.3	Very low	111 Å²	111	92.7 Å²	92.7	57%	0.569	50%	0.501	S	S	*	.	H	α-helix	trans	-62.5	-41.2	174.9	-67.9	164.7	0	0	0	110.4	G43 A44 R51	G43-I47 WeakPolarHBondContact O-CD1 3.45Å; G43-I47 VanDerWaalsContact O-CG1 3.24Å; G43-I47 WeakPolarHBondContact O-CG1 3.3Å; G43-I47 PolarHBondContact O-N 3.12Å; A44-I47 PolarHBondContact O-N 3.4Å; I47-R51 WeakPolarHBondContact O-CB 3.28Å; I47-R51 PolarHBondContact O-N 3.33Å
48	W	45.8	Very low	44.7	Very low	118 Å²	118	92.7 Å²	92.7	45%	0.447	50%	0.504	S	S	.	.	H	α-helix	trans	-68.8	-40.5	177.7	-172.2	93.3	0	0	0	112.3	A44 C45 L46 R51 R52	A44-W48 WeakPolarHBondContact O-CB 3.25Å; A44-W48 PolarHBondContact O-N 3.32Å; C45-W48 PolarHBondContact O-N 2.94Å; L46-W48 VanDerWaalsContact C-N 3.31Å; L46-W48 PolarHBondContact O-N 2.92Å; W48-R51 PolarHBondContact O-N 2.92Å; W48-R52 WeakPolarHBondContact O-CB 3.37Å; W48-R52 PolarHBondContact O-N 3.23Å; W48-R52 VanDerWaalsContact O-N 3.08Å
49	F	45.5	Very low	44	Very low	94 Å²	94	93.3 Å²	93.3	41%	0.412	51%	0.512	S	S	.	.	H	α-helix	trans	-64.9	-44	174.5	-111.9	-90.7	0	0	0	111.5	P15 C45 L46 R51 R52 T53	P15-F49 HydrophobicContact CB-CE2 4.17Å; P15-F49 HydrophobicContact CG-CE2 4.08Å; P15-F49 HydrophobicContact CG-CZ 4.26Å; C45-F49 WeakPolarHBondContact O-CB 3.43Å; C45-F49 PolarHBondContact O-N 2.99Å; L46-F49 PolarHBondContact O-N 3.49Å; F49-R51 VanDerWaalsContact C-N 3.3Å; F49-R51 PolarHBondContact O-N 3.4Å; F49-R52 PolarHBondContact O-N 3.07Å; F49-T53 HydrophobicContact CD1-CG2 3.84Å; F49-T53 HydrophobicContact CE1-CG2 4.36Å; F49-T53 WeakPolarHBondContact O-CB 3.25Å; F49-T53 WeakPolarHBondContact O-CG2 3.48Å; F49-T53 PolarHBondContact O-N 3.41Å; F49-T53 PolarHBondContact O-OG1 3.5Å
50	N	43.7	Very low	43.2	Very low	92 Å²	92	95.2 Å²	95.2	49%	0.492	53%	0.526	S	S	.	.	H	α-helix	trans	-65.7	-29.7	175.4	-93.5	-34.1	0	0	0	113	L46	L46-N50 WeakPolarHBondContact O-CB 3.42Å; L46-N50 PolarHBondContact O-N 2.88Å
51	R	45.6	Very low	42.3	Very low	186 Å²	186	95.1 Å²	95.1	70%	0.702	53%	0.525	S	S	*	.	H	α-helix	trans	-78.3	-23.8	174.6	-96.8	-177.4	161.7	173.9	-5.2	114.2	I47 W48 F49	I47-R51 WeakPolarHBondContact O-CB 3.28Å; I47-R51 PolarHBondContact O-N 3.33Å; W48-R51 PolarHBondContact O-N 2.92Å; F49-R51 VanDerWaalsContact C-N 3.3Å; F49-R51 PolarHBondContact O-N 3.4Å
52	R	42	Very low	41.6	Very low	175 Å²	175	95.7 Å²	95.7	66%	0.66	53%	0.529	S	S	*	.	H	α-helix	trans	-109.1	-12.9	-174.6	-78.7	-165.8	177.6	-167.8	1.1	114.9	W48 F49 P54	W48-R52 WeakPolarHBondContact O-CB 3.37Å; W48-R52 PolarHBondContact O-N 3.23Å; W48-R52 VanDerWaalsContact O-N 3.08Å; F49-R52 PolarHBondContact O-N 3.07Å; R52-P54 VanDerWaalsContact O-CD 3.29Å; R52-P54 WeakPolarHBondContact O-CD 3.28Å
53	T	38.5	Very low	40.8	Very low	41 Å²	41	96.7 Å²	96.7	25%	0.252	54%	0.536	S	S	.	.	S	Bend	trans	-83.4	114.8	174.4	46.8	0	0	0	0	109.4	F49 K55	F49-T53 HydrophobicContact CD1-CG2 3.84Å; F49-T53 HydrophobicContact CE1-CG2 4.36Å; F49-T53 WeakPolarHBondContact O-CB 3.25Å; F49-T53 WeakPolarHBondContact O-CG2 3.48Å; F49-T53 PolarHBondContact O-N 3.41Å; F49-T53 PolarHBondContact O-OG1 3.5Å; T53-K55 PolarHBondContact O-N 2.89Å
54	P	31.8	Very low	40.1	Very low	109 Å²	109	99.1 Å²	99.1	71%	0.708	55%	0.545	S	S	*	.			trans	-66.9	126.5	170.1	28.2	-30	0	0	0	107.9	R52	R52-P54 VanDerWaalsContact O-CD 3.29Å; R52-P54 WeakPolarHBondContact O-CD 3.28Å
55	K	36.1	Very low	39.4	Very low	161 Å²	161	103.5 Å²	103.5	70%	0.7	55%	0.554	S	S	*	*	S	Bend	trans	40.8	97.1	159.1	-59.2	-178.1	178.9	-176	0	115.6	T53	T53-K55 PolarHBondContact O-N 2.89Å
56	G	32.1	Very low	38.8	Very low	89 Å²	89	104.3 Å²	104.3	92%	0.918	55%	0.554	S	S	*	*	S	Bend	trans	82.8	41.8	143.9	0	0	0	0	0	119.9
57	S	36.3	Very low	38.2	Very low	83 Å²	83	103.3 Å²	103.3	58%	0.58	55%	0.551	S	S	*	*			trans	-133.4	17.5	175.6	60	0	0	0	0	116.5	D59	S57-D59 PolarHBondContact O-N 3.35Å
58	V	38.6	Very low	37.5	Very low	79 Å²	79	103.2 Å²	103.2	48%	0.479	55%	0.548	S	S	.	.			trans	-88.7	95.7	172.7	-172.4	0	0	0	0	108.7
59	D	36.1	Very low	37.3	Very low	105 Å²	105	101.7 Å²	101.7	56%	0.561	55%	0.552	S	S	*	*			trans	-59.3	129.9	173.7	-76.5	-34.7	0	0	0	110.1	S57 L61 T62	S57-D59 PolarHBondContact O-N 3.35Å; D59-L61 PolarHBondContact O-N 3.09Å; D59-T62 PolarHBondContact O-N 3.35Å; D59-T62 PolarHBondContact O-OG1 3.45Å
60	P	36.2	Very low	37.1	Very low	99 Å²	99	99.7 Å²	99.7	64%	0.643	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-12.1	176.8	23.1	-31.6	0	0	0	113.1	T62 S63 V64	P60-T62 VanDerWaalsContact C-N 3.31Å; P60-T62 PolarHBondContact O-N 3.28Å; P60-S63 PolarHBondContact O-OG 3.44Å; P60-V64 WeakPolarHBondContact O-CG2 3.47Å
61	L	30.7	Very low	36.8	Very low	121 Å²	121	102 Å²	102	63%	0.634	55%	0.551	S	S	*	*	H	α-helix	trans	-69.1	-26.9	173.8	-72.2	164.7	0	0	0	113.2	D59 V64 F65	D59-L61 PolarHBondContact O-N 3.09Å; L61-V64 PolarHBondContact O-N 3.41Å; L61-F65 PolarHBondContact O-N 2.88Å
62	T	37.9	Very low	36.7	Very low	85 Å²	85	104.3 Å²	104.3	52%	0.521	56%	0.56	S	S	.	*	H	α-helix	trans	-72.4	-32.7	-177.5	-24.2	0	0	0	0	112.2	D59 P60	D59-T62 PolarHBondContact O-N 3.35Å; D59-T62 PolarHBondContact O-OG1 3.45Å; P60-T62 VanDerWaalsContact C-N 3.31Å; P60-T62 PolarHBondContact O-N 3.28Å
63	S	34.4	Very low	36.9	Very low	59 Å²	59	104.2 Å²	104.2	41%	0.413	57%	0.567	S	S	.	*	H	α-helix	trans	-75.1	-34.9	174.1	52.6	0	0	0	0	111.7	P60 L66 V67	P60-S63 PolarHBondContact O-OG 3.44Å; S63-L66 PolarHBondContact O-N 3.5Å; S63-V67 WeakPolarHBondContact O-CG2 3.06Å; S63-V67 PolarHBondContact O-N 2.95Å
64	V	33.6	Very low	37.1	Very low	77 Å²	77	103.8 Å²	103.8	47%	0.467	57%	0.567	S	S	.	*	H	α-helix	trans	-65.8	-41.9	176.4	176.7	0	0	0	0	111.4	P60 L61 L66 V67 E68	P60-V64 WeakPolarHBondContact O-CG2 3.47Å; L61-V64 PolarHBondContact O-N 3.41Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 PolarHBondContact O-N 2.85Å; V64-V67 PolarHBondContact O-N 3.3Å; V64-E68 PolarHBondContact O-N 2.95Å; V64-E68 VanDerWaalsContact O-N 3.15Å
65	F	31	Very low	37.4	Very low	150 Å²	150	102.6 Å²	102.6	66%	0.658	58%	0.575	S	S	*	*	H	α-helix	trans	-62.8	-34.5	177.8	-109.1	-87.3	0	0	0	113.6	L61 E68 V69	L61-F65 PolarHBondContact O-N 2.88Å; F65-E68 PolarHBondContact O-N 3.4Å; F65-V69 WeakPolarHBondContact O-CG2 3.47Å; F65-V69 PolarHBondContact O-N 3.12Å
66	L	36.9	Very low	37.7	Very low	74 Å²	74	98.3 Å²	98.3	39%	0.387	57%	0.565	S	S	.	*	H	α-helix	trans	-67.6	-36.3	176.6	-100.9	156.1	0	0	0	112.1	S63 V64 L70	S63-L66 PolarHBondContact O-N 3.5Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 PolarHBondContact O-N 2.85Å; L66-L70 WeakPolarHBondContact O-CD1 3.35Å; L66-L70 PolarHBondContact O-N 2.94Å
67	V	39.2	Very low	38.1	Very low	61 Å²	61	105 Å²	105	37%	0.37	56%	0.563	S	S	.	*	H	α-helix	trans	-67.5	-38.8	175.6	178.3	0	0	0	0	111.1	S63 V64 K71 V87	S63-V67 WeakPolarHBondContact O-CG2 3.06Å; S63-V67 PolarHBondContact O-N 2.95Å; V64-V67 PolarHBondContact O-N 3.3Å; V67-K71 PolarHBondContact O-N 2.72Å; V67-V87 HydrophobicContact CG2-CB 4Å; V67-V87 HydrophobicContact CG2-CG1 3.38Å; V67-V87 HydrophobicContact CG2-CG2 4.33Å
68	E	35.4	Very low	38.1	Very low	109 Å²	109	105.7 Å²	105.7	51%	0.509	57%	0.568	S	S	.	*	H	α-helix	trans	-67.8	-38.7	-179.6	-149.9	86	-137.8	0	0	112.5	V64 F65 K71	V64-E68 PolarHBondContact O-N 2.95Å; V64-E68 VanDerWaalsContact O-N 3.15Å; F65-E68 PolarHBondContact O-N 3.4Å; E68-K71 VanDerWaalsContact O-CB 3.28Å; E68-K71 WeakPolarHBondContact O-CB 3.47Å; E68-K71 PolarHBondContact O-N 2.98Å
69	V	41.3	Very low	37.9	Very low	87 Å²	87	104.6 Å²	104.6	53%	0.527	56%	0.561	S	S	.	*	H	α-helix	trans	-69.9	-39.9	178.6	174.4	0	0	0	0	111.2	F65 K71 R72	F65-V69 WeakPolarHBondContact O-CG2 3.47Å; F65-V69 PolarHBondContact O-N 3.12Å; V69-K71 PolarHBondContact O-N 2.86Å; V69-R72 PolarHBondContact O-N 3.21Å
70	L	40.9	Very low	37.6	Very low	52 Å²	52	103.2 Å²	103.2	27%	0.272	55%	0.548	S	S	.	.	H	α-helix	trans	-65.5	-26.4	175.5	-80.1	158.3	0	0	0	112.5	L66 R72 Y80 V83	L66-L70 WeakPolarHBondContact O-CD1 3.35Å; L66-L70 PolarHBondContact O-N 2.94Å; L70-R72 VanDerWaalsContact C-N 3.26Å; L70-R72 PolarHBondContact O-N 3.12Å; L70-Y80 WeakPolarHBondContact O-CE1 3.45Å; L70-V83 HydrophobicContact CD1-CG1 3.76Å; L70-V83 HydrophobicContact CD2-CG1 4.49Å
71	K	39.3	Very low	37.5	Very low	139 Å²	139	102.3 Å²	102.3	60%	0.604	54%	0.541	S	S	*	.	H	α-helix	trans	-65.7	-20.4	175.1	-153.2	174.1	177.9	-178.3	0	114.3	V67 E68 V69 Y80	V67-K71 PolarHBondContact O-N 2.72Å; E68-K71 VanDerWaalsContact O-CB 3.28Å; E68-K71 WeakPolarHBondContact O-CB 3.47Å; E68-K71 PolarHBondContact O-N 2.98Å; V69-K71 PolarHBondContact O-N 2.86Å; K71-Y80 PolarHBondContact O-OH 3.46Å; K71-Y80 VanDerWaalsContact O-OH 3.06Å
72	R	42.6	Very low	37.6	Very low	235 Å²	235	103.6 Å²	103.6	89%	0.887	54%	0.542	S	S	*	.	H	α-helix	trans	-98.5	-19.2	-176.8	-86.3	-174.7	174.8	177.9	0.2	115	V69 L70	V69-R72 PolarHBondContact O-N 3.21Å; L70-R72 VanDerWaalsContact C-N 3.26Å; L70-R72 PolarHBondContact O-N 3.12Å
73	E	47	Very low	37.5	Very low	174 Å²	174	101.1 Å²	101.1	81%	0.813	53%	0.526	S	S	*	.	H	α-helix	trans	-111.3	-16.5	-171.9	-74.3	-166.3	159.6	0	0	115.8
74	A	41.7	Very low	37.3	Very low	31 Å²	31	99.6 Å²	99.6	26%	0.256	52%	0.519	S	S	.	.			trans	-86.1	121	179.5	0	0	0	0	0	111.5	S76 Y80	A74-S76 PolarHBondContact O-N 2.94Å; A74-Y80 VanDerWaalsContact C-OH 3.3Å; A74-Y80 WeakPolarHBondContact CA-OH 3.43Å; A74-Y80 HydrophobicContact CB-CD1 4.4Å; A74-Y80 HydrophobicContact CB-CD2 4.28Å; A74-Y80 HydrophobicContact CB-CE1 3.76Å; A74-Y80 HydrophobicContact CB-CE2 3.71Å; A74-Y80 VanDerWaalsContact CB-CZ 3.41Å; A74-Y80 PolarHBondContact N-OH 2.87Å; A74-Y80 WeakPolarHBondContact O-CE2 3.49Å; A74-Y80 PolarHBondContact O-OH 3.25Å
75	G	37.9	Very low	37.7	Very low	85 Å²	85	101.5 Å²	101.5	88%	0.876	52%	0.518	S	S	*	.			trans	-79.4	-4.5	173.2	0	0	0	0	0	114.1
76	S	43.7	Very low	38	Very low	70 Å²	70	100.5 Å²	100.5	49%	0.49	51%	0.514	S	S	.	.			trans	-116.9	111.2	-163.6	-78.9	0	0	0	0	113.1	A74 S78 V79 Y80	A74-S76 PolarHBondContact O-N 2.94Å; S76-S78 PolarHBondContact O-N 2.83Å; S76-V79 PolarHBondContact O-N 2.62Å; S76-Y80 VanDerWaalsContact O-CD2 3.24Å; S76-Y80 WeakPolarHBondContact O-CD2 3.41Å; S76-Y80 PolarHBondContact O-N 3.5Å
77	R	40.2	Very low	38.2	Very low	230 Å²	230	99.1 Å²	99.1	87%	0.868	51%	0.509	S	S	*	.	H	α-helix	trans	-49.4	-32.4	177	-77.2	-178.8	175.6	170	-1.4	114.5
78	S	36.1	Very low	38.3	Very low	98 Å²	98	100.7 Å²	100.7	69%	0.685	51%	0.514	S	S	*	.	H	α-helix	trans	-72.6	-35.4	179.7	161.1	0	0	0	0	113.5	S76 F82	S76-S78 PolarHBondContact O-N 2.83Å; S78-F82 PolarHBondContact O-N 2.89Å
79	V	33.2	Very low	38.9	Very low	55 Å²	55	99.3 Å²	99.3	33%	0.333	51%	0.507	S	S	.	.	H	α-helix	trans	-76.3	-32.7	-178.4	-176.9	0	0	0	0	110.3	S76 V81 F82 V83	S76-V79 PolarHBondContact O-N 2.62Å; V79-V81 PolarHBondContact O-N 3.26Å; V79-F82 PolarHBondContact O-N 2.92Å; V79-V83 HydrophobicContact CG1-CG2 3.94Å; V79-V83 WeakPolarHBondContact O-CB 3.27Å; V79-V83 WeakPolarHBondContact O-CG2 3.1Å; V79-V83 PolarHBondContact O-N 3.44Å
80	Y	31.1	Very low	39.3	Very low	77 Å²	77	98.2 Å²	98.2	30%	0.302	50%	0.503	S	S	.	.	H	α-helix	trans	-59.3	-43.9	174.2	-79.7	-63.5	0	0	0	114.1	L70 K71 A74 S76 F82 G84	L70-Y80 WeakPolarHBondContact O-CE1 3.45Å; K71-Y80 PolarHBondContact O-OH 3.46Å; K71-Y80 VanDerWaalsContact O-OH 3.06Å; A74-Y80 VanDerWaalsContact C-OH 3.3Å; A74-Y80 WeakPolarHBondContact CA-OH 3.43Å; A74-Y80 HydrophobicContact CB-CD1 4.4Å; A74-Y80 HydrophobicContact CB-CD2 4.28Å; A74-Y80 HydrophobicContact CB-CE1 3.76Å; A74-Y80 HydrophobicContact CB-CE2 3.71Å; A74-Y80 VanDerWaalsContact CB-CZ 3.41Å; A74-Y80 PolarHBondContact N-OH 2.87Å; A74-Y80 WeakPolarHBondContact O-CE2 3.49Å; A74-Y80 PolarHBondContact O-OH 3.25Å; S76-Y80 VanDerWaalsContact O-CD2 3.24Å; S76-Y80 WeakPolarHBondContact O-CD2 3.41Å; S76-Y80 PolarHBondContact O-N 3.5Å; Y80-F82 VanDerWaalsContact C-N 3.32Å; Y80-G84 PolarHBondContact O-N 3.16Å
81	V	33.4	Very low	39.9	Very low	80 Å²	80	97.2 Å²	97.2	49%	0.485	51%	0.506	S	S	.	.	H	α-helix	trans	-67.5	-38.8	-179.8	178.9	0	0	0	0	110.1	V79 R85	V79-V81 PolarHBondContact O-N 3.26Å; V81-R85 VanDerWaalsContact O-CB 3.22Å; V81-R85 WeakPolarHBondContact O-CB 3.26Å; V81-R85 WeakPolarHBondContact O-CG 3.34Å; V81-R85 PolarHBondContact O-N 3.05Å; V81-R85 VanDerWaalsContact O-N 3.07Å
82	F	32.9	Very low	40.5	Very low	148 Å²	148	91.1 Å²	91.1	65%	0.649	48%	0.479	S	S	*	.	H	α-helix	trans	-72.7	-45.7	-178	-149.3	-92.2	0	0	0	112.3	S78 V79 Y80 F86	S78-F82 PolarHBondContact O-N 2.89Å; V79-F82 PolarHBondContact O-N 2.92Å; Y80-F82 VanDerWaalsContact C-N 3.32Å; F82-F86 HydrophobicContact CE1-CD2 4.27Å; F82-F86 WeakPolarHBondContact O-CB 3.4Å; F82-F86 PolarHBondContact O-N 2.85Å
83	V	35	Very low	41.1	Very low	33 Å²	33	81.9 Å²	81.9	20%	0.2	45%	0.447	C	S	.	.	H	α-helix	trans	-71.8	-40.3	-179.9	178.8	0	0	0	0	111.3	L70 V79 F86 V87	L70-V83 HydrophobicContact CD1-CG1 3.76Å; L70-V83 HydrophobicContact CD2-CG1 4.49Å; V79-V83 HydrophobicContact CG1-CG2 3.94Å; V79-V83 WeakPolarHBondContact O-CB 3.27Å; V79-V83 WeakPolarHBondContact O-CG2 3.1Å; V79-V83 PolarHBondContact O-N 3.44Å; V83-F86 PolarHBondContact O-N 3.34Å; V83-V87 WeakPolarHBondContact O-CG2 3.48Å; V83-V87 PolarHBondContact O-N 2.67Å
84	G	31.6	Very low	41.7	Very low	26 Å²	26	75.5 Å²	75.5	27%	0.268	42%	0.422	S	S	.	.	H	α-helix	trans	-61	-44.9	174.3	0	0	0	0	0	112.4	Y80 F86 V87 L88	Y80-G84 PolarHBondContact O-N 3.16Å; G84-F86 PolarHBondContact O-N 3.29Å; G84-V87 PolarHBondContact O-N 3.04Å; G84-L88 WeakPolarHBondContact O-CB 3.2Å; G84-L88 VanDerWaalsContact O-CG 3.3Å; G84-L88 WeakPolarHBondContact O-CG 3.06Å; G84-L88 PolarHBondContact O-N 2.97Å
85	R	41.8	Very low	42.6	Very low	117 Å²	117	75.9 Å²	75.9	44%	0.442	42%	0.422	S	S	.	.	H	α-helix	trans	-63.8	-38.8	174.7	-76.8	179.1	173.9	-170.5	-3.6	112.8	V81 F89 T153 D154	V81-R85 VanDerWaalsContact O-CB 3.22Å; V81-R85 WeakPolarHBondContact O-CB 3.26Å; V81-R85 WeakPolarHBondContact O-CG 3.34Å; V81-R85 PolarHBondContact O-N 3.05Å; V81-R85 VanDerWaalsContact O-N 3.07Å; R85-F89 VanDerWaalsContact O-CB 3.28Å; R85-F89 WeakPolarHBondContact O-CB 3.38Å; R85-F89 PolarHBondContact O-N 3.38Å; R85-T153 PolarHBondContact NH2-OG1 3.39Å; R85-D154 IonicContact NH1-OD2 2.66Å
86	F	37.3	Very low	43.7	Very low	130 Å²	130	72.5 Å²	72.5	57%	0.57	38%	0.384	S	S	*	.	H	α-helix	trans	-68.2	-38.5	179.2	-134.3	-92.2	0	0	0	112.5	F82 V83 G84 F89 S90	F82-F86 HydrophobicContact CE1-CD2 4.27Å; F82-F86 WeakPolarHBondContact O-CB 3.4Å; F82-F86 PolarHBondContact O-N 2.85Å; V83-F86 PolarHBondContact O-N 3.34Å; G84-F86 PolarHBondContact O-N 3.29Å; F86-F89 PolarHBondContact O-N 2.89Å; F86-S90 WeakPolarHBondContact O-CB 3.46Å; F86-S90 PolarHBondContact O-N 3.23Å
87	V	40.6	Very low	44.6	Very low	45 Å²	45	74.2 Å²	74.2	27%	0.273	39%	0.387	S	S	.	.	H	α-helix	trans	-70.7	-40.4	176.6	179.2	0	0	0	0	111.3	V67 V83 G84 S90 G91	V67-V87 HydrophobicContact CG2-CB 4Å; V67-V87 HydrophobicContact CG2-CG1 3.38Å; V67-V87 HydrophobicContact CG2-CG2 4.33Å; V83-V87 WeakPolarHBondContact O-CG2 3.48Å; V83-V87 PolarHBondContact O-N 2.67Å; G84-V87 PolarHBondContact O-N 3.04Å; V87-S90 PolarHBondContact O-N 3.33Å; V87-G91 PolarHBondContact O-N 3.49Å
88	L	41.9	Very low	45.7	Very low	93 Å²	93	69 Å²	69	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-60.7	-47.2	172.1	-72.5	168.3	0	0	0	111	G84 S90 G91 I92	G84-L88 WeakPolarHBondContact O-CB 3.2Å; G84-L88 VanDerWaalsContact O-CG 3.3Å; G84-L88 WeakPolarHBondContact O-CG 3.06Å; G84-L88 PolarHBondContact O-N 2.97Å; L88-S90 VanDerWaalsContact C-N 3.32Å; L88-S90 PolarHBondContact O-N 3.36Å; L88-G91 PolarHBondContact O-N 2.95Å; L88-G91 VanDerWaalsContact O-N 3.08Å; L88-I92 WeakPolarHBondContact O-CG1 3.47Å; L88-I92 PolarHBondContact O-N 3.02Å
89	F	46.6	Very low	47	Very low	80 Å²	80	65.5 Å²	65.5	35%	0.351	35%	0.347	S	S	.	.	H	α-helix	trans	-61.6	-39	177.1	-163.7	-90.4	0	0	0	112.3	R85 F86 G91 M93 V158	R85-F89 VanDerWaalsContact O-CB 3.28Å; R85-F89 WeakPolarHBondContact O-CB 3.38Å; R85-F89 PolarHBondContact O-N 3.38Å; F86-F89 PolarHBondContact O-N 2.89Å; F89-G91 VanDerWaalsContact C-N 3.34Å; F89-M93 HydrophobicContact CD1-CG 3.85Å; F89-M93 HydrophobicContact CE1-CE 4.02Å; F89-M93 HydrophobicContact CE1-CG 3.65Å; F89-M93 HydrophobicContact CE1-SD 4.22Å; F89-M93 HydrophobicContact CE2-CE 4.13Å; F89-M93 HydrophobicContact CZ-CE 3.72Å; F89-M93 HydrophobicContact CZ-CG 4.32Å; F89-M93 HydrophobicContact CZ-SD 4.42Å; F89-M93 WeakPolarHBondContact O-CB 3.25Å; F89-M93 WeakPolarHBondContact O-CG 3.44Å; F89-M93 PolarHBondContact O-N 2.91Å; F89-V158 HydrophobicContact CD2-CG2 4.44Å; F89-V158 HydrophobicContact CE2-CG2 3.7Å; F89-V158 HydrophobicContact CZ-CG2 4.36Å
90	S	51.4	Low	48.5	Very low	64 Å²	64	68.4 Å²	68.4	45%	0.448	35%	0.352	S	S	.	.	H	α-helix	trans	-65.6	-36.3	173.7	-173	0	0	0	0	112.6	F86 V87 L88 S94	F86-S90 WeakPolarHBondContact O-CB 3.46Å; F86-S90 PolarHBondContact O-N 3.23Å; V87-S90 PolarHBondContact O-N 3.33Å; L88-S90 VanDerWaalsContact C-N 3.32Å; L88-S90 PolarHBondContact O-N 3.36Å; S90-S94 WeakPolarHBondContact O-CB 3.23Å; S90-S94 PolarHBondContact O-N 3.07Å
91	G	52.4	Low	50.2	Low	32 Å²	32	69 Å²	69	33%	0.33	36%	0.364	S	S	.	.	H	α-helix	trans	-64.5	-52.7	174.6	0	0	0	0	0	111.6	V87 L88 F89 M93 S94 S95	V87-G91 PolarHBondContact O-N 3.49Å; L88-G91 PolarHBondContact O-N 2.95Å; L88-G91 VanDerWaalsContact O-N 3.08Å; F89-G91 VanDerWaalsContact C-N 3.34Å; G91-M93 VanDerWaalsContact C-N 3.33Å; G91-M93 PolarHBondContact O-N 3.45Å; G91-S94 WeakPolarHBondContact O-CB 3.44Å; G91-S94 PolarHBondContact O-N 3.33Å; G91-S94 VanDerWaalsContact O-N 3.1Å; G91-S95 PolarHBondContact O-N 3.46Å; G91-S95 PolarHBondContact O-OG 3.42Å
92	I	53.1	Low	51.8	Low	10 Å²	10	67.2 Å²	67.2	5%	0.051	35%	0.348	C	S	.	.	H	α-helix	trans	-55.6	-48.3	177.2	-61.6	163.4	0	0	0	110.2	L88 S94 S95 L96 E147 V158	L88-I92 WeakPolarHBondContact O-CG1 3.47Å; L88-I92 PolarHBondContact O-N 3.02Å; I92-S94 VanDerWaalsContact C-N 3.32Å; I92-S94 PolarHBondContact O-N 3.23Å; I92-S95 WeakPolarHBondContact O-CB 3.24Å; I92-S95 PolarHBondContact O-N 2.98Å; I92-L96 HydrophobicContact CG2-CD1 3.97Å; I92-L96 HydrophobicContact CG2-CG 4.31Å; I92-L96 VanDerWaalsContact O-CG 3.28Å; I92-L96 WeakPolarHBondContact O-CG 3.41Å; I92-L96 PolarHBondContact O-N 3.39Å; I92-E147 HydrophobicContact CG1-CB 4.48Å; I92-E147 VanDerWaalsContact CG1-CD 3.48Å; I92-E147 HydrophobicContact CG1-CG 4.25Å; I92-E147 WeakPolarHBondContact CG1-OE2 3.45Å; I92-E147 WeakPolarHBondContact CG2-OE2 3.33Å; I92-V158 HydrophobicContact CG2-CG1 4Å
93	M	53.7	Low	53.5	Low	41 Å²	41	60.1 Å²	60.1	20%	0.202	32%	0.317	C	S	.	.	H	α-helix	trans	-63.8	-37	179.2	-71.9	-63.3	127.3	0	0	112.6	F89 G91 L96 L97 V158 L161	F89-M93 HydrophobicContact CD1-CG 3.85Å; F89-M93 HydrophobicContact CE1-CE 4.02Å; F89-M93 HydrophobicContact CE1-CG 3.65Å; F89-M93 HydrophobicContact CE1-SD 4.22Å; F89-M93 HydrophobicContact CE2-CE 4.13Å; F89-M93 HydrophobicContact CZ-CE 3.72Å; F89-M93 HydrophobicContact CZ-CG 4.32Å; F89-M93 HydrophobicContact CZ-SD 4.42Å; F89-M93 WeakPolarHBondContact O-CB 3.25Å; F89-M93 WeakPolarHBondContact O-CG 3.44Å; F89-M93 PolarHBondContact O-N 2.91Å; G91-M93 VanDerWaalsContact C-N 3.33Å; G91-M93 PolarHBondContact O-N 3.45Å; M93-L96 HydrophobicContact CE-CD1 3.74Å; M93-L96 PolarHBondContact O-N 3.2Å; M93-L96 HydrophobicContact SD-CD1 4.31Å; M93-L97 WeakPolarHBondContact O-CB 3.49Å; M93-L97 WeakPolarHBondContact O-CD1 3.38Å; M93-L97 PolarHBondContact O-N 2.85Å; M93-V158 HydrophobicContact CE-CG2 3.77Å; M93-L161 HydrophobicContact CE-CD1 4.06Å; M93-L161 HydrophobicContact SD-CD1 4.12Å
94	S	60.2	Low	55.1	Low	41 Å²	41	61.7 Å²	61.7	29%	0.287	33%	0.327	S	S	.	.	H	α-helix	trans	-63.1	-45.4	174	-172.3	0	0	0	0	111.2	S90 G91 I92 L97 Q98	S90-S94 WeakPolarHBondContact O-CB 3.23Å; S90-S94 PolarHBondContact O-N 3.07Å; G91-S94 WeakPolarHBondContact O-CB 3.44Å; G91-S94 PolarHBondContact O-N 3.33Å; G91-S94 VanDerWaalsContact O-N 3.1Å; I92-S94 VanDerWaalsContact C-N 3.32Å; I92-S94 PolarHBondContact O-N 3.23Å; S94-L97 PolarHBondContact O-N 3.12Å; S94-Q98 WeakPolarHBondContact O-CG 3.36Å; S94-Q98 PolarHBondContact O-N 3.04Å
95	S	60.5	Low	56.8	Low	39 Å²	39	64.5 Å²	64.5	27%	0.273	34%	0.335	S	S	.	.	H	α-helix	trans	-60.5	-46.3	175.6	-56.4	0	0	0	0	111.5	G91 I92 L97 Q98 V99	G91-S95 PolarHBondContact O-N 3.46Å; G91-S95 PolarHBondContact O-OG 3.42Å; I92-S95 WeakPolarHBondContact O-CB 3.24Å; I92-S95 PolarHBondContact O-N 2.98Å; S95-L97 VanDerWaalsContact C-N 3.32Å; S95-L97 PolarHBondContact O-N 2.94Å; S95-Q98 WeakPolarHBondContact O-CB 3.45Å; S95-Q98 PolarHBondContact O-N 3.38Å; S95-V99 WeakPolarHBondContact O-CG2 3.49Å; S95-V99 PolarHBondContact O-N 2.81Å
96	L	60.9	Low	58	Low	13 Å²	13	58.9 Å²	58.9	7%	0.068	31%	0.314	C	S	.	.	H	α-helix	trans	-64.1	-34.6	177.5	-65.5	174.8	0	0	0	112.7	I92 M93 R100 V158 L165	I92-L96 HydrophobicContact CG2-CD1 3.97Å; I92-L96 HydrophobicContact CG2-CG 4.31Å; I92-L96 VanDerWaalsContact O-CG 3.28Å; I92-L96 WeakPolarHBondContact O-CG 3.41Å; I92-L96 PolarHBondContact O-N 3.39Å; M93-L96 HydrophobicContact CE-CD1 3.74Å; M93-L96 PolarHBondContact O-N 3.2Å; M93-L96 HydrophobicContact SD-CD1 4.31Å; L96-R100 WeakPolarHBondContact O-CB 3.38Å; L96-R100 PolarHBondContact O-N 3.42Å; L96-V158 HydrophobicContact CD1-CG1 4.32Å; L96-L165 HydrophobicContact CB-CD1 4.06Å; L96-L165 HydrophobicContact CD2-CD1 3.67Å; L96-L165 HydrophobicContact CG-CD1 4.41Å
97	L	62.1	Low	59.5	Low	107 Å²	107	55 Å²	55	56%	0.56	30%	0.298	S	S	*	.	H	α-helix	trans	-68	-41	173.3	-102.3	137.2	0	0	0	112.2	M93 S94 S95 V99 R100 T101	M93-L97 WeakPolarHBondContact O-CB 3.49Å; M93-L97 WeakPolarHBondContact O-CD1 3.38Å; M93-L97 PolarHBondContact O-N 2.85Å; S94-L97 PolarHBondContact O-N 3.12Å; S95-L97 VanDerWaalsContact C-N 3.32Å; S95-L97 PolarHBondContact O-N 2.94Å; L97-V99 VanDerWaalsContact C-N 3.34Å; L97-R100 PolarHBondContact O-N 3.48Å; L97-T101 WeakPolarHBondContact O-CG2 3.42Å; L97-T101 PolarHBondContact O-N 3.08Å; L97-T101 PolarHBondContact O-OG1 2.88Å
98	Q	63.2	Low	60.6	Low	119 Å²	119	60.8 Å²	60.8	56%	0.556	32%	0.316	S	S	*	.	H	α-helix	trans	-61.4	-43.8	173.7	-73.9	177.6	-0.1	0	0	111	S94 S95 R100 T101 W102	S94-Q98 WeakPolarHBondContact O-CG 3.36Å; S94-Q98 PolarHBondContact O-N 3.04Å; S95-Q98 WeakPolarHBondContact O-CB 3.45Å; S95-Q98 PolarHBondContact O-N 3.38Å; Q98-R100 PolarHBondContact O-N 2.93Å; Q98-T101 WeakPolarHBondContact CA-OG1 3.33Å; Q98-T101 PolarHBondContact O-N 3.4Å; Q98-T101 PolarHBondContact O-OG1 3.44Å; Q98-W102 VanDerWaalsContact O-CB 3.28Å; Q98-W102 WeakPolarHBondContact O-CB 3.35Å; Q98-W102 PolarHBondContact O-N 2.97Å
99	V	63.2	Low	61.7	Low	25 Å²	25	59.8 Å²	59.8	15%	0.152	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-44	176.1	173.3	0	0	0	0	111.2	S95 L97 T101 W102 L103 L140 L165	S95-V99 WeakPolarHBondContact O-CG2 3.49Å; S95-V99 PolarHBondContact O-N 2.81Å; L97-V99 VanDerWaalsContact C-N 3.34Å; V99-T101 VanDerWaalsContact C-N 3.31Å; V99-T101 PolarHBondContact O-N 3.14Å; V99-W102 PolarHBondContact O-N 3.48Å; V99-L103 HydrophobicContact CG1-CD1 4.11Å; V99-L103 HydrophobicContact CG1-CG 4.41Å; V99-L103 WeakPolarHBondContact O-CB 3.35Å; V99-L103 WeakPolarHBondContact O-CG 3.18Å; V99-L103 PolarHBondContact O-N 2.92Å; V99-L140 HydrophobicContact CB-CD1 4.03Å; V99-L140 HydrophobicContact CG1-CD1 3.47Å; V99-L140 VanDerWaalsContact CG1-CD1 3.47Å; V99-L140 HydrophobicContact CG1-CD2 3.68Å; V99-L140 HydrophobicContact CG1-CG 4.14Å; V99-L140 HydrophobicContact CG2-CD1 3.54Å; V99-L165 HydrophobicContact CG1-CD1 4.37Å; V99-L165 HydrophobicContact CG1-CD2 4.38Å
100	R	65	Low	62.7	Low	117 Å²	117	56 Å²	56	44%	0.442	29%	0.291	S	S	.	.	H	α-helix	trans	-59.9	-42.8	177.4	-175.8	-179.1	174.9	177.4	-0.8	111.9	L96 L97 Q98 T104 L165	L96-R100 WeakPolarHBondContact O-CB 3.38Å; L96-R100 PolarHBondContact O-N 3.42Å; L97-R100 PolarHBondContact O-N 3.48Å; Q98-R100 PolarHBondContact O-N 2.93Å; R100-T104 PolarHBondContact O-N 3.47Å; R100-T104 VanDerWaalsContact O-N 3.11Å; R100-T104 PolarHBondContact O-OG1 3.46Å; R100-L165 HydrophobicContact CB-CD2 3.89Å; R100-L165 HydrophobicContact CG-CD2 4.34Å
101	T	66.6	Low	63.4	Low	90 Å²	90	56.3 Å²	56.3	55%	0.552	29%	0.288	S	S	*	.	H	α-helix	trans	-70	-41.5	179.3	48.5	0	0	0	0	111.5	L97 Q98 V99 T104 L105	L97-T101 WeakPolarHBondContact O-CG2 3.42Å; L97-T101 PolarHBondContact O-N 3.08Å; L97-T101 PolarHBondContact O-OG1 2.88Å; Q98-T101 WeakPolarHBondContact CA-OG1 3.33Å; Q98-T101 PolarHBondContact O-N 3.4Å; Q98-T101 PolarHBondContact O-OG1 3.44Å; V99-T101 VanDerWaalsContact C-N 3.31Å; V99-T101 PolarHBondContact O-N 3.14Å; T101-T104 PolarHBondContact O-N 3.04Å; T101-L105 PolarHBondContact O-N 2.99Å
102	W	68.3	Low	64	Low	41 Å²	41	57.4 Å²	57.4	16%	0.155	29%	0.29	C	S	.	.	H	α-helix	trans	-59.1	-47.4	172.2	173.2	77.1	0	0	0	112.6	Q98 V99 T104 L105 I106 N136 W169	Q98-W102 VanDerWaalsContact O-CB 3.28Å; Q98-W102 WeakPolarHBondContact O-CB 3.35Å; Q98-W102 PolarHBondContact O-N 2.97Å; V99-W102 PolarHBondContact O-N 3.48Å; W102-T104 VanDerWaalsContact C-N 3.33Å; W102-T104 PolarHBondContact O-N 2.85Å; W102-L105 WeakPolarHBondContact O-CB 3.4Å; W102-L105 PolarHBondContact O-N 3.01Å; W102-L105 VanDerWaalsContact O-N 3.12Å; W102-I106 HydrophobicContact CD2-CD1 3.72Å; W102-I106 HydrophobicContact CE3-CD1 4.3Å; W102-I106 HydrophobicContact CG-CD1 4.29Å; W102-I106 HydrophobicContact CH2-CD1 3.69Å; W102-I106 HydrophobicContact CZ2-CD1 2.97Å; W102-I106 HydrophobicContact CZ2-CG1 4.42Å; W102-I106 HydrophobicContact CZ3-CD1 4.3Å; W102-I106 VanDerWaalsContact NE1-CD1 3.3Å; W102-I106 PolarHBondContact O-N 3.45Å; W102-N136 HydrophobicContact CD2-CB 4.37Å; W102-N136 HydrophobicContact CH2-CB 3.51Å; W102-N136 HydrophobicContact CZ2-CB 3.11Å; W102-N136 HydrophobicContact CZ3-CB 4.25Å; W102-N136 PolarHBondContact NE1-ND2 3.11Å; W102-W169 AromaticContact CH2-CD1 3.84Å; W102-W169 AromaticContact CZ3-CD1 3.81Å
103	L	67.3	Low	64.2	Low	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.1	-42.7	175.4	-76.7	173.3	0	0	0	112.2	V99 L105 I106 E107 L165 R168 W169 V172	V99-L103 HydrophobicContact CG1-CD1 4.11Å; V99-L103 HydrophobicContact CG1-CG 4.41Å; V99-L103 WeakPolarHBondContact O-CB 3.35Å; V99-L103 WeakPolarHBondContact O-CG 3.18Å; V99-L103 PolarHBondContact O-N 2.92Å; L103-L105 VanDerWaalsContact C-N 3.3Å; L103-L105 PolarHBondContact O-N 2.79Å; L103-I106 PolarHBondContact O-N 2.97Å; L103-E107 WeakPolarHBondContact O-CG 3.34Å; L103-E107 PolarHBondContact O-N 3.48Å; L103-L165 HydrophobicContact CD1-CD2 3.9Å; L103-R168 HydrophobicContact CD1-CB 4.14Å; L103-R168 HydrophobicContact CD1-CG 4.19Å; L103-W169 HydrophobicContact CD1-CB 4.47Å; L103-W169 HydrophobicContact CD2-CB 3.87Å; L103-W169 HydrophobicContact CD2-CG 4.39Å; L103-V172 HydrophobicContact CD2-CG2 4.46Å
104	T	69.1	Low	64.3	Low	66 Å²	66	60.3 Å²	60.3	41%	0.405	31%	0.309	S	S	.	.	H	α-helix	trans	-65	-36.4	177.5	-49.9	0	0	0	0	111.5	R100 T101 W102 Y108 R168	R100-T104 PolarHBondContact O-N 3.47Å; R100-T104 VanDerWaalsContact O-N 3.11Å; R100-T104 PolarHBondContact O-OG1 3.46Å; T101-T104 PolarHBondContact O-N 3.04Å; W102-T104 VanDerWaalsContact C-N 3.33Å; W102-T104 PolarHBondContact O-N 2.85Å; T104-Y108 PolarHBondContact O-N 2.8Å; T104-Y108 VanDerWaalsContact O-N 3.15Å; T104-R168 PolarHBondContact OG1-NH1 2.98Å; T104-R168 PolarHBondContact OG1-NH2 3.16Å
105	L	66.8	Low	63.7	Low	84 Å²	84	64.2 Å²	64.2	44%	0.44	33%	0.332	S	S	.	.	H	α-helix	trans	-67.2	-41	175.9	-175.6	69.4	0	0	0	111.6	T101 W102 L103 Y108 K109	T101-L105 PolarHBondContact O-N 2.99Å; W102-L105 WeakPolarHBondContact O-CB 3.4Å; W102-L105 PolarHBondContact O-N 3.01Å; W102-L105 VanDerWaalsContact O-N 3.12Å; L103-L105 VanDerWaalsContact C-N 3.3Å; L103-L105 PolarHBondContact O-N 2.79Å; L105-Y108 PolarHBondContact O-N 3.37Å; L105-K109 WeakPolarHBondContact O-CG 3.32Å; L105-K109 PolarHBondContact O-N 2.86Å
106	I	67.2	Low	62.9	Low	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-69.1	-41.5	177.8	-71.7	169.8	0	0	0	111.6	W102 L103 Y108 K109 L110 I133 V172	W102-I106 HydrophobicContact CD2-CD1 3.72Å; W102-I106 HydrophobicContact CE3-CD1 4.3Å; W102-I106 HydrophobicContact CG-CD1 4.29Å; W102-I106 HydrophobicContact CH2-CD1 3.69Å; W102-I106 HydrophobicContact CZ2-CD1 2.97Å; W102-I106 HydrophobicContact CZ2-CG1 4.42Å; W102-I106 HydrophobicContact CZ3-CD1 4.3Å; W102-I106 VanDerWaalsContact NE1-CD1 3.3Å; W102-I106 PolarHBondContact O-N 3.45Å; L103-I106 PolarHBondContact O-N 2.97Å; I106-Y108 PolarHBondContact O-N 3.41Å; I106-K109 PolarHBondContact O-N 2.91Å; I106-K109 VanDerWaalsContact O-N 3.13Å; I106-L110 HydrophobicContact CG2-CD1 3.86Å; I106-L110 HydrophobicContact CG2-CG 4.18Å; I106-L110 WeakPolarHBondContact O-CB 3.19Å; I106-L110 WeakPolarHBondContact O-CG 3.44Å; I106-L110 PolarHBondContact O-N 3.31Å; I106-I133 HydrophobicContact CD1-CG1 3.91Å; I106-I133 HydrophobicContact CG2-CD1 3.75Å; I106-I133 HydrophobicContact CG2-CG1 3.85Å; I106-V172 HydrophobicContact CB-CG1 4.33Å; I106-V172 HydrophobicContact CG2-CG1 3.4Å
107	E	69.7	Low	62.3	Low	48 Å²	48	69.5 Å²	69.5	22%	0.224	37%	0.367	C	S	.	.	H	α-helix	trans	-54.6	-46.5	173.4	-76.5	170.3	-177.4	0	0	110.7	L103 L110 D111 R168 V172	L103-E107 WeakPolarHBondContact O-CG 3.34Å; L103-E107 PolarHBondContact O-N 3.48Å; E107-L110 PolarHBondContact O-N 2.99Å; E107-D111 WeakPolarHBondContact O-CB 3.43Å; E107-D111 PolarHBondContact O-N 3.46Å; E107-R168 WeakPolarHBondContact OE1-CG 3.46Å; E107-R168 IonicContact OE1-CZ 2.66Å; E107-R168 IonicContact OE1-NE 3.41Å; E107-R168 PolarHBondContact OE1-NE 2.91Å; E107-R168 IonicContact OE1-NH2 3.64Å; E107-R168 IonicContact OE2-CZ 3.37Å; E107-R168 IonicContact OE2-NE 3.32Å; E107-R168 PolarHBondContact OE2-NE 2.84Å; E107-R168 IonicContact OE2-NH2 3.87Å; E107-R168 PolarHBondContact OE2-NH2 3.26Å; E107-V172 HydrophobicContact CG-CG2 3.41Å; E107-V172 VanDerWaalsContact CG-CG2 3.41Å
108	Y	63.8	Low	61.8	Low	167 Å²	167	67.3 Å²	67.3	66%	0.655	36%	0.359	S	S	*	.	H	α-helix	trans	-62.3	-43.3	175.3	-177.6	-97.6	0	0	0	113	T104 L105 I106 D111 S112	T104-Y108 PolarHBondContact O-N 2.8Å; T104-Y108 VanDerWaalsContact O-N 3.15Å; L105-Y108 PolarHBondContact O-N 3.37Å; I106-Y108 PolarHBondContact O-N 3.41Å; Y108-D111 PolarHBondContact O-N 3.31Å; Y108-S112 WeakPolarHBondContact O-CB 3.4Å; Y108-S112 PolarHBondContact O-N 3.38Å
109	K	65.3	Low	61.2	Low	71 Å²	71	65.2 Å²	65.2	31%	0.309	35%	0.351	S	S	.	.	H	α-helix	trans	-60.9	-45.5	174.9	-75	-179.1	179.2	-178.7	0	111.1	L105 I106 S112 L113 L129 E132	L105-K109 WeakPolarHBondContact O-CG 3.32Å; L105-K109 PolarHBondContact O-N 2.86Å; I106-K109 PolarHBondContact O-N 2.91Å; I106-K109 VanDerWaalsContact O-N 3.13Å; K109-S112 PolarHBondContact O-N 3.45Å; K109-S112 PolarHBondContact O-OG 3.29Å; K109-L113 WeakPolarHBondContact O-CG 3.5Å; K109-L113 PolarHBondContact O-N 3.23Å; K109-L113 VanDerWaalsContact O-N 3.08Å; K109-L129 HydrophobicContact CB-CD2 4.26Å; K109-L129 HydrophobicContact CD-CD1 3.82Å; K109-E132 IonicContact NZ-OE1 2.58Å; K109-E132 IonicContact NZ-OE2 3.68Å; K109-E132 PolarHBondContact NZ-OE2 2.83Å
110	L	66.8	Low	60.5	Low	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-62	-46.1	177.1	-76.5	169.6	0	0	0	111.2	I106 E107 S112 L113 V114 L129 I133 V172 K175 M179	I106-L110 HydrophobicContact CG2-CD1 3.86Å; I106-L110 HydrophobicContact CG2-CG 4.18Å; I106-L110 WeakPolarHBondContact O-CB 3.19Å; I106-L110 WeakPolarHBondContact O-CG 3.44Å; I106-L110 PolarHBondContact O-N 3.31Å; E107-L110 PolarHBondContact O-N 2.99Å; L110-S112 VanDerWaalsContact C-N 3.29Å; L110-S112 PolarHBondContact O-N 2.85Å; L110-L113 PolarHBondContact O-N 2.83Å; L110-L113 VanDerWaalsContact O-N 3.13Å; L110-V114 WeakPolarHBondContact O-CG2 3.3Å; L110-V114 PolarHBondContact O-N 3.4Å; L110-V114 VanDerWaalsContact O-N 3.15Å; L110-L129 HydrophobicContact CD2-CD2 3.64Å; L110-L129 HydrophobicContact CG-CD2 3.84Å; L110-I133 HydrophobicContact CD1-CD1 4.48Å; L110-V172 HydrophobicContact CD1-CG1 3.73Å; L110-K175 HydrophobicContact CD1-CD 4.48Å; L110-M179 HydrophobicContact CB-SD 4.32Å; L110-M179 HydrophobicContact CD2-SD 3.82Å
111	D	66.2	Low	60.1	Low	71 Å²	71	65.4 Å²	65.4	38%	0.38	37%	0.369	S	S	.	.	H	α-helix	trans	-61.1	-37.9	176.5	-76.4	-34.7	0	0	0	112.3	E107 Y108 L113 V114 K175	E107-D111 WeakPolarHBondContact O-CB 3.43Å; E107-D111 PolarHBondContact O-N 3.46Å; Y108-D111 PolarHBondContact O-N 3.31Å; D111-L113 VanDerWaalsContact C-N 3.32Å; D111-L113 PolarHBondContact O-N 2.55Å; D111-V114 PolarHBondContact O-N 3.19Å; D111-K175 IonicContact OD1-NZ 3.88Å; D111-K175 PolarHBondContact OD1-NZ 3.38Å; D111-K175 IonicContact OD2-NZ 3.47Å
112	S	64.9	Low	59.5	Low	55 Å²	55	61.4 Å²	61.4	39%	0.385	34%	0.344	S	S	.	.	H	α-helix	trans	-65.8	-35	175.5	75	0	0	0	0	112.8	Y108 K109 L110 V114 V115	Y108-S112 WeakPolarHBondContact O-CB 3.4Å; Y108-S112 PolarHBondContact O-N 3.38Å; K109-S112 PolarHBondContact O-N 3.45Å; K109-S112 PolarHBondContact O-OG 3.29Å; L110-S112 VanDerWaalsContact C-N 3.29Å; L110-S112 PolarHBondContact O-N 2.85Å; S112-V114 VanDerWaalsContact C-N 3.33Å; S112-V114 PolarHBondContact O-N 3.04Å; S112-V115 PolarHBondContact O-N 3.46Å
113	L	57.8	Low	59.1	Low	26 Å²	26	59.9 Å²	59.9	14%	0.136	34%	0.34	C	S	.	.	H	α-helix	trans	-74.2	-21.9	178.5	-71.6	167.5	0	0	0	112.6	K109 L110 D111 V115 C116 L125 I126 L129 M179	K109-L113 WeakPolarHBondContact O-CG 3.5Å; K109-L113 PolarHBondContact O-N 3.23Å; K109-L113 VanDerWaalsContact O-N 3.08Å; L110-L113 PolarHBondContact O-N 2.83Å; L110-L113 VanDerWaalsContact O-N 3.13Å; D111-L113 VanDerWaalsContact C-N 3.32Å; D111-L113 PolarHBondContact O-N 2.55Å; L113-V115 PolarHBondContact O-N 2.97Å; L113-C116 PolarHBondContact O-N 3.35Å; L113-L125 HydrophobicContact CD2-CB 4.43Å; L113-I126 HydrophobicContact CB-CG1 4.49Å; L113-I126 HydrophobicContact CD1-CG1 3.9Å; L113-L129 HydrophobicContact CD1-CD2 3.96Å; L113-M179 HydrophobicContact CB-CE 3.54Å
114	V	55.9	Low	58.9	Low	86 Å²	86	66.2 Å²	66.2	52%	0.521	37%	0.367	S	S	.	.	H	α-helix	trans	-66.4	-27.9	172	175.7	0	0	0	0	111.4	L110 D111 S112 M179	L110-V114 WeakPolarHBondContact O-CG2 3.3Å; L110-V114 PolarHBondContact O-N 3.4Å; L110-V114 VanDerWaalsContact O-N 3.15Å; D111-V114 PolarHBondContact O-N 3.19Å; S112-V114 VanDerWaalsContact C-N 3.33Å; S112-V114 PolarHBondContact O-N 3.04Å; V114-M179 HydrophobicContact CB-CE 4.42Å; V114-M179 HydrophobicContact CG2-CE 3.62Å; V114-M179 HydrophobicContact CG2-CG 4.46Å; V114-M179 HydrophobicContact CG2-SD 3.66Å
115	V	46.3	Very low	58.5	Low	124 Å²	124	66.7 Å²	66.7	75%	0.752	37%	0.367	S	S	*	.	H	α-helix	trans	-81.3	-20.8	-179.3	-175.7	0	0	0	0	112	S112 L113	S112-V115 PolarHBondContact O-N 3.46Å; L113-V115 PolarHBondContact O-N 2.97Å
116	C	44.6	Very low	58.4	Low	65 Å²	65	62.7 Å²	62.7	44%	0.439	35%	0.346	S	S	.	.	S	Bend	trans	-79.7	133.5	178	-71.2	0	0	0	0	111.2	L113	L113-C116 PolarHBondContact O-N 3.35Å
117	P	48.6	Very low	58.4	Low	98 Å²	98	66.9 Å²	66.9	64%	0.636	37%	0.366	S	S	*	.			trans	-58.8	133.1	171.7	23.3	-30.4	0	0	0	109	N119	P117-N119 PolarHBondContact O-N 2.98Å
118	P	51.7	Low	58.3	Low	61 Å²	61	68.6 Å²	68.6	40%	0.396	38%	0.376	S	S	.	.			trans	-67.7	104.7	-174.1	20.1	-23.7	0	0	0	109.1	S122 L186	P118-S122 VanDerWaalsContact CA-OG 3.28Å; P118-S122 WeakPolarHBondContact CA-OG 3.32Å; P118-L186 HydrophobicContact CB-CD1 3.98Å; P118-L186 HydrophobicContact CG-CB 4.26Å; P118-L186 HydrophobicContact CG-CD1 3.19Å; P118-L186 HydrophobicContact CG-CG 4.28Å
119	N	49.8	Very low	58.5	Low	74 Å²	74	61 Å²	61	40%	0.396	35%	0.347	S	S	.	.			trans	-117.8	167.8	176.8	56.2	16.6	0	0	0	108.9	P117 T121 S122 S123	P117-N119 PolarHBondContact O-N 2.98Å; N119-T121 PolarHBondContact ND2-OG1 3.31Å; N119-T121 PolarHBondContact O-N 2.67Å; N119-T121 VanDerWaalsContact O-N 3.12Å; N119-T121 PolarHBondContact OD1-OG1 3.08Å; N119-S122 PolarHBondContact N-OG 3.49Å; N119-S122 PolarHBondContact O-N 3.28Å; N119-S122 PolarHBondContact O-OG 3.32Å; N119-S122 WeakPolarHBondContact OD1-CB 3.47Å; N119-S122 PolarHBondContact OD1-N 3.27Å; N119-S122 PolarHBondContact OD1-OG 3.15Å; N119-S123 PolarHBondContact O-N 3.46Å; N119-S123 VanDerWaalsContact O-N 3.12Å
120	S	49.5	Very low	58.7	Low	66 Å²	66	57.7 Å²	57.7	46%	0.462	33%	0.332	S	S	.	.	H	α-helix	trans	-53.2	-35.9	179.8	49.9	0	0	0	0	112.3	S123 F124	S120-S123 PolarHBondContact O-N 3.47Å; S120-F124 PolarHBondContact O-N 3.38Å; S120-F124 VanDerWaalsContact O-N 3.09Å
121	T	55	Low	58.8	Low	81 Å²	81	63.6 Å²	63.6	50%	0.497	36%	0.358	S	S	.	.	H	α-helix	trans	-63.5	-40.3	173.2	33.6	0	0	0	0	113.8	N119 F124 L125	N119-T121 PolarHBondContact ND2-OG1 3.31Å; N119-T121 PolarHBondContact O-N 2.67Å; N119-T121 VanDerWaalsContact O-N 3.12Å; N119-T121 PolarHBondContact OD1-OG1 3.08Å; T121-F124 PolarHBondContact O-N 2.93Å; T121-L125 WeakPolarHBondContact O-CB 3.25Å; T121-L125 VanDerWaalsContact O-CG 3.25Å; T121-L125 WeakPolarHBondContact O-CG 3.38Å; T121-L125 PolarHBondContact O-N 2.99Å
122	S	55.8	Low	59	Low	5 Å²	5	63.1 Å²	63.1	4%	0.035	35%	0.354	C	S	.	.	H	α-helix	trans	-69.6	-36.8	177.5	71.3	0	0	0	0	111.3	P118 N119 L125 I126	P118-S122 VanDerWaalsContact CA-OG 3.28Å; P118-S122 WeakPolarHBondContact CA-OG 3.32Å; N119-S122 PolarHBondContact N-OG 3.49Å; N119-S122 PolarHBondContact O-N 3.28Å; N119-S122 PolarHBondContact O-OG 3.32Å; N119-S122 WeakPolarHBondContact OD1-CB 3.47Å; N119-S122 PolarHBondContact OD1-N 3.27Å; N119-S122 PolarHBondContact OD1-OG 3.15Å; S122-L125 PolarHBondContact O-N 2.97Å; S122-I126 WeakPolarHBondContact O-CB 3.39Å; S122-I126 VanDerWaalsContact O-CD1 3.27Å; S122-I126 WeakPolarHBondContact O-CD1 3.27Å; S122-I126 WeakPolarHBondContact O-CG1 3.45Å; S122-I126 PolarHBondContact O-N 2.93Å
123	S	58.3	Low	59.2	Low	10 Å²	10	60.5 Å²	60.5	7%	0.07	34%	0.335	C	S	.	.	H	α-helix	trans	-60.9	-46.6	174.4	-173.7	0	0	0	0	111.1	N119 S120 I126 Q127	N119-S123 PolarHBondContact O-N 3.46Å; N119-S123 VanDerWaalsContact O-N 3.12Å; S120-S123 PolarHBondContact O-N 3.47Å; S123-I126 PolarHBondContact O-N 3.13Å; S123-Q127 WeakPolarHBondContact O-CG 3.49Å; S123-Q127 PolarHBondContact O-N 2.97Å
124	F	63.3	Low	59.7	Low	132 Å²	132	60.8 Å²	60.8	58%	0.579	34%	0.336	S	S	*	.	H	α-helix	trans	-61.5	-46.5	176.1	-177	-99.2	0	0	0	112.4	S120 T121 I126 Q127 L128	S120-F124 PolarHBondContact O-N 3.38Å; S120-F124 VanDerWaalsContact O-N 3.09Å; T121-F124 PolarHBondContact O-N 2.93Å; F124-I126 VanDerWaalsContact C-N 3.34Å; F124-I126 PolarHBondContact O-N 3.34Å; F124-Q127 PolarHBondContact O-N 2.69Å; F124-L128 PolarHBondContact O-N 3.46Å
125	L	60.4	Low	60.3	Low	76 Å²	76	60.6 Å²	60.6	40%	0.398	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-38.3	178.8	-72.9	170.9	0	0	0	112.6	L113 T121 S122 L128 L129	L113-L125 HydrophobicContact CD2-CB 4.43Å; T121-L125 WeakPolarHBondContact O-CB 3.25Å; T121-L125 VanDerWaalsContact O-CG 3.25Å; T121-L125 WeakPolarHBondContact O-CG 3.38Å; T121-L125 PolarHBondContact O-N 2.99Å; S122-L125 PolarHBondContact O-N 2.97Å; L125-L128 PolarHBondContact O-N 3.23Å; L125-L129 WeakPolarHBondContact O-CB 3.44Å; L125-L129 PolarHBondContact O-N 2.94Å
126	I	64.7	Low	61.1	Low	1 Å²	1	57.1 Å²	57.1	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-70.6	-37.3	176.9	-61.4	159	0	0	0	110.5	L113 S122 S123 F124 L129 Q130 M179 I180 C183	L113-I126 HydrophobicContact CB-CG1 4.49Å; L113-I126 HydrophobicContact CD1-CG1 3.9Å; S122-I126 WeakPolarHBondContact O-CB 3.39Å; S122-I126 VanDerWaalsContact O-CD1 3.27Å; S122-I126 WeakPolarHBondContact O-CD1 3.27Å; S122-I126 WeakPolarHBondContact O-CG1 3.45Å; S122-I126 PolarHBondContact O-N 2.93Å; S123-I126 PolarHBondContact O-N 3.13Å; F124-I126 VanDerWaalsContact C-N 3.34Å; F124-I126 PolarHBondContact O-N 3.34Å; I126-L129 PolarHBondContact O-N 3.4Å; I126-Q130 WeakPolarHBondContact O-CB 3.44Å; I126-Q130 PolarHBondContact O-N 2.89Å; I126-M179 HydrophobicContact CD1-CB 4.16Å; I126-M179 HydrophobicContact CD1-CE 4.05Å; I126-M179 HydrophobicContact CG1-CE 4.45Å; I126-M179 HydrophobicContact CG2-CB 4.24Å; I126-I180 HydrophobicContact CB-CG1 4.23Å; I126-I180 HydrophobicContact CG2-CD1 4.12Å; I126-I180 HydrophobicContact CG2-CG1 3.34Å; I126-C183 WeakPolarHBondContact CD1-SG 3.35Å
127	Q	67.3	Low	62.1	Low	88 Å²	88	54 Å²	54	41%	0.411	29%	0.285	S	S	.	.	H	α-helix	trans	-64.8	-39.7	173.7	-72.6	-177.6	24.2	0	0	112.3	S123 F124 Q130 K131 I180	S123-Q127 WeakPolarHBondContact O-CG 3.49Å; S123-Q127 PolarHBondContact O-N 2.97Å; F124-Q127 PolarHBondContact O-N 2.69Å; Q127-Q130 WeakPolarHBondContact O-CB 3.42Å; Q127-Q130 PolarHBondContact O-N 3.12Å; Q127-K131 PolarHBondContact O-N 3.11Å; Q127-K131 VanDerWaalsContact O-N 3.07Å; Q127-I180 HydrophobicContact CG-CD1 4.48Å
128	L	67.8	Low	62.8	Low	83 Å²	83	54.3 Å²	54.3	44%	0.435	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-44.3	174.3	-161	86.1	0	0	0	111	F124 L125 Q130 K131 E132	F124-L128 PolarHBondContact O-N 3.46Å; L125-L128 PolarHBondContact O-N 3.23Å; L128-Q130 VanDerWaalsContact C-N 3.31Å; L128-Q130 PolarHBondContact O-N 2.75Å; L128-K131 WeakPolarHBondContact O-CB 3.41Å; L128-K131 PolarHBondContact O-N 2.98Å; L128-E132 PolarHBondContact O-N 3.35Å
129	L	68.3	Low	63.2	Low	9 Å²	9	56.2 Å²	56.2	5%	0.047	28%	0.28	C	S	.	.	H	α-helix	trans	-64.8	-36	176.8	-168.9	68.5	0	0	0	111.8	K109 L110 L113 L125 I126 K131 E132 I133	K109-L129 HydrophobicContact CB-CD2 4.26Å; K109-L129 HydrophobicContact CD-CD1 3.82Å; L110-L129 HydrophobicContact CD2-CD2 3.64Å; L110-L129 HydrophobicContact CG-CD2 3.84Å; L113-L129 HydrophobicContact CD1-CD2 3.96Å; L125-L129 WeakPolarHBondContact O-CB 3.44Å; L125-L129 PolarHBondContact O-N 2.94Å; I126-L129 PolarHBondContact O-N 3.4Å; L129-K131 VanDerWaalsContact C-N 3.35Å; L129-E132 PolarHBondContact O-N 3.42Å; L129-I133 HydrophobicContact CG-CD1 4.09Å; L129-I133 WeakPolarHBondContact O-CB 3.38Å; L129-I133 WeakPolarHBondContact O-CD1 3.4Å; L129-I133 WeakPolarHBondContact O-CG1 3.48Å; L129-I133 PolarHBondContact O-N 2.88Å
130	Q	70.2	Confident	63.9	Low	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-43.8	174	-178	68.9	18.3	0	0	111.4	I126 Q127 L128 E132 I133 E134 W173 S176 I180	I126-Q130 WeakPolarHBondContact O-CB 3.44Å; I126-Q130 PolarHBondContact O-N 2.89Å; Q127-Q130 WeakPolarHBondContact O-CB 3.42Å; Q127-Q130 PolarHBondContact O-N 3.12Å; L128-Q130 VanDerWaalsContact C-N 3.31Å; L128-Q130 PolarHBondContact O-N 2.75Å; Q130-E132 VanDerWaalsContact C-N 3.34Å; Q130-I133 PolarHBondContact O-N 2.9Å; Q130-E134 PolarHBondContact NE2-OE1 3.07Å; Q130-E134 WeakPolarHBondContact O-CB 3.48Å; Q130-E134 WeakPolarHBondContact O-CG 3.3Å; Q130-E134 PolarHBondContact O-N 3.37Å; Q130-W173 VanDerWaalsContact NE2-CD1 3.25Å; Q130-S176 PolarHBondContact OE1-OG 3.2Å; Q130-I180 HydrophobicContact CB-CD1 3.86Å; Q130-I180 HydrophobicContact CG-CD1 3.94Å
131	K	69.4	Low	64.5	Low	125 Å²	125	51.6 Å²	51.6	54%	0.543	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-43.8	175.3	-168.2	-179.5	177.2	-176.9	0	111	Q127 L128 L129 I133 E134 E135	Q127-K131 PolarHBondContact O-N 3.11Å; Q127-K131 VanDerWaalsContact O-N 3.07Å; L128-K131 WeakPolarHBondContact O-CB 3.41Å; L128-K131 PolarHBondContact O-N 2.98Å; L129-K131 VanDerWaalsContact C-N 3.35Å; K131-I133 PolarHBondContact O-N 2.97Å; K131-E134 PolarHBondContact O-N 3.44Å; K131-E135 WeakPolarHBondContact CE-OE1 3.46Å; K131-E135 WeakPolarHBondContact O-CB 3.49Å; K131-E135 WeakPolarHBondContact O-CG 3.45Å; K131-E135 PolarHBondContact O-N 3.09Å
132	E	68.6	Low	64.9	Low	61 Å²	61	50.8 Å²	50.8	29%	0.285	25%	0.246	S	C	.	.	H	α-helix	trans	-60.7	-41.7	174.6	-172.5	-173.2	166.1	0	0	111.9	K109 L128 L129 Q130 N136	K109-E132 IonicContact NZ-OE1 2.58Å; K109-E132 IonicContact NZ-OE2 3.68Å; K109-E132 PolarHBondContact NZ-OE2 2.83Å; L128-E132 PolarHBondContact O-N 3.35Å; L129-E132 PolarHBondContact O-N 3.42Å; Q130-E132 VanDerWaalsContact C-N 3.34Å; E132-N136 VanDerWaalsContact CG-ND2 3.35Å; E132-N136 WeakPolarHBondContact CG-ND2 3.45Å; E132-N136 VanDerWaalsContact O-CB 3.27Å; E132-N136 WeakPolarHBondContact O-CB 3.29Å; E132-N136 PolarHBondContact O-N 3.26Å; E132-N136 PolarHBondContact O-ND2 2.95Å
133	I	69.3	Low	64.9	Low	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.2	-41.8	177.4	-69.7	160.7	0	0	0	111.3	I106 L110 L129 Q130 K131 G137 W169 V172 W173	I106-I133 HydrophobicContact CD1-CG1 3.91Å; I106-I133 HydrophobicContact CG2-CD1 3.75Å; I106-I133 HydrophobicContact CG2-CG1 3.85Å; L110-I133 HydrophobicContact CD1-CD1 4.48Å; L129-I133 HydrophobicContact CG-CD1 4.09Å; L129-I133 WeakPolarHBondContact O-CB 3.38Å; L129-I133 WeakPolarHBondContact O-CD1 3.4Å; L129-I133 WeakPolarHBondContact O-CG1 3.48Å; L129-I133 PolarHBondContact O-N 2.88Å; Q130-I133 PolarHBondContact O-N 2.9Å; K131-I133 PolarHBondContact O-N 2.97Å; I133-G137 WeakPolarHBondContact O-CA 3.26Å; I133-G137 PolarHBondContact O-N 3.24Å; I133-W169 PolarHBondContact O-NE1 3.02Å; I133-V172 HydrophobicContact CD1-CG1 4.08Å; I133-V172 HydrophobicContact CG1-CG1 4.41Å; I133-W173 HydrophobicContact CG2-CB 4.13Å
134	E	69.2	Low	64.8	Low	31 Å²	31	53.5 Å²	53.5	15%	0.145	26%	0.262	C	S	.	.	H	α-helix	trans	-70.5	-44.6	-179.5	-74.2	174.9	-174.3	0	0	111.6	Q130 K131 G137 R138 R393	Q130-E134 PolarHBondContact NE2-OE1 3.07Å; Q130-E134 WeakPolarHBondContact O-CB 3.48Å; Q130-E134 WeakPolarHBondContact O-CG 3.3Å; Q130-E134 PolarHBondContact O-N 3.37Å; K131-E134 PolarHBondContact O-N 3.44Å; E134-G137 PolarHBondContact O-N 3.27Å; E134-R138 WeakPolarHBondContact O-CG 3.3Å; E134-R138 PolarHBondContact O-N 3.37Å; E134-R393 IonicContact OE1-NH2 3.82Å
135	E	68	Low	64.7	Low	83 Å²	83	52.1 Å²	52.1	39%	0.388	26%	0.257	S	S	.	.	H	α-helix	trans	-65.5	-50.2	178.7	-75	175.9	-179.8	0	0	112.4	K131 G137 R138 L139	K131-E135 WeakPolarHBondContact CE-OE1 3.46Å; K131-E135 WeakPolarHBondContact O-CB 3.49Å; K131-E135 WeakPolarHBondContact O-CG 3.45Å; K131-E135 PolarHBondContact O-N 3.09Å; E135-G137 VanDerWaalsContact C-N 3.28Å; E135-G137 PolarHBondContact O-N 3.04Å; E135-R138 WeakPolarHBondContact O-CB 3.39Å; E135-R138 PolarHBondContact O-N 2.95Å; E135-L139 PolarHBondContact O-N 2.84Å; E135-L139 VanDerWaalsContact O-N 3.09Å
136	N	64.2	Low	64.8	Low	50 Å²	50	54.6 Å²	54.6	27%	0.267	27%	0.265	S	S	.	.	H	α-helix	trans	-70.9	-27.7	177.3	-71.6	-44.2	0	0	0	112.1	W102 E132 L139 L140	W102-N136 HydrophobicContact CD2-CB 4.37Å; W102-N136 HydrophobicContact CH2-CB 3.51Å; W102-N136 HydrophobicContact CZ2-CB 3.11Å; W102-N136 HydrophobicContact CZ3-CB 4.25Å; W102-N136 PolarHBondContact NE1-ND2 3.11Å; E132-N136 VanDerWaalsContact CG-ND2 3.35Å; E132-N136 WeakPolarHBondContact CG-ND2 3.45Å; E132-N136 VanDerWaalsContact O-CB 3.27Å; E132-N136 WeakPolarHBondContact O-CB 3.29Å; E132-N136 PolarHBondContact O-N 3.26Å; E132-N136 PolarHBondContact O-ND2 2.95Å; N136-L139 PolarHBondContact O-N 3.42Å; N136-L140 WeakPolarHBondContact O-CB 3.46Å; N136-L140 PolarHBondContact O-N 3.45Å
137	G	64.4	Low	64.3	Low	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-46.2	168.8	0	0	0	0	0	111.6	I133 E134 E135 L139 L140 F141 W169	I133-G137 WeakPolarHBondContact O-CA 3.26Å; I133-G137 PolarHBondContact O-N 3.24Å; E134-G137 PolarHBondContact O-N 3.27Å; E135-G137 VanDerWaalsContact C-N 3.28Å; E135-G137 PolarHBondContact O-N 3.04Å; G137-L139 VanDerWaalsContact C-N 3.34Å; G137-L139 PolarHBondContact O-N 2.91Å; G137-L140 WeakPolarHBondContact O-CB 3.42Å; G137-L140 PolarHBondContact O-N 2.66Å; G137-F141 WeakPolarHBondContact O-CD2 3.25Å; G137-F141 PolarHBondContact O-N 3.38Å; G137-W169 VanDerWaalsContact CA-NE1 3.31Å
138	R	63.7	Low	63.9	Low	105 Å²	105	54.9 Å²	54.9	40%	0.396	27%	0.267	S	S	.	.	H	α-helix	trans	-61	-41.4	174.2	-74.1	-171.7	-73.2	-131.1	0.7	112.4	E134 E135 F141 S142 A385	E134-R138 WeakPolarHBondContact O-CG 3.3Å; E134-R138 PolarHBondContact O-N 3.37Å; E135-R138 WeakPolarHBondContact O-CB 3.39Å; E135-R138 PolarHBondContact O-N 2.95Å; R138-F141 PolarHBondContact O-N 3.45Å; R138-S142 VanDerWaalsContact O-CB 3.3Å; R138-S142 WeakPolarHBondContact O-CB 3.41Å; R138-S142 PolarHBondContact O-N 2.94Å; R138-S142 PolarHBondContact O-OG 3.36Å; R138-A385 PolarHBondContact NH1-O 2.99Å
139	L	60.1	Low	63.6	Low	101 Å²	101	58.3 Å²	58.3	53%	0.529	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-44.5	174.4	-70.2	175.1	0	0	0	111.3	E135 N136 G137 F141 S142 V143	E135-L139 PolarHBondContact O-N 2.84Å; E135-L139 VanDerWaalsContact O-N 3.09Å; N136-L139 PolarHBondContact O-N 3.42Å; G137-L139 VanDerWaalsContact C-N 3.34Å; G137-L139 PolarHBondContact O-N 2.91Å; L139-F141 PolarHBondContact O-N 3.35Å; L139-S142 WeakPolarHBondContact CA-OG 3.38Å; L139-S142 PolarHBondContact O-N 3.12Å; L139-S142 PolarHBondContact O-OG 2.78Å; L139-V143 WeakPolarHBondContact O-CB 3.29Å; L139-V143 VanDerWaalsContact O-CG2 3.25Å; L139-V143 WeakPolarHBondContact O-CG2 3.37Å; L139-V143 PolarHBondContact O-N 2.82Å
140	L	63.5	Low	63.1	Low	8 Å²	8	63.9 Å²	63.9	4%	0.042	31%	0.307	C	S	.	.	H	α-helix	trans	-55.6	-54	174.1	176.6	60	0	0	0	110.5	V99 N136 G137 S142 V144 W169	V99-L140 HydrophobicContact CB-CD1 4.03Å; V99-L140 HydrophobicContact CG1-CD1 3.47Å; V99-L140 VanDerWaalsContact CG1-CD1 3.47Å; V99-L140 HydrophobicContact CG1-CD2 3.68Å; V99-L140 HydrophobicContact CG1-CG 4.14Å; V99-L140 HydrophobicContact CG2-CD1 3.54Å; N136-L140 WeakPolarHBondContact O-CB 3.46Å; N136-L140 PolarHBondContact O-N 3.45Å; G137-L140 WeakPolarHBondContact O-CB 3.42Å; G137-L140 PolarHBondContact O-N 2.66Å; L140-S142 PolarHBondContact O-N 3.13Å; L140-V144 HydrophobicContact CD1-CG2 3.78Å; L140-V144 HydrophobicContact CG-CG2 4.4Å; L140-V144 WeakPolarHBondContact O-CB 3.31Å; L140-V144 WeakPolarHBondContact O-CG2 3.49Å; L140-V144 PolarHBondContact O-N 3.25Å; L140-W169 HydrophobicContact CD2-CB 4.41Å
141	F	62.6	Low	62.3	Low	35 Å²	35	66.3 Å²	66.3	15%	0.154	32%	0.32	C	S	.	.	H	α-helix	trans	-65.7	-40	-177.9	-66.6	-57.7	0	0	0	113.1	G137 R138 L139 V144 H145 Q166 W169 Y170	G137-F141 WeakPolarHBondContact O-CD2 3.25Å; G137-F141 PolarHBondContact O-N 3.38Å; R138-F141 PolarHBondContact O-N 3.45Å; L139-F141 PolarHBondContact O-N 3.35Å; F141-V144 PolarHBondContact O-N 2.91Å; F141-H145 VanDerWaalsContact O-CB 3.28Å; F141-H145 WeakPolarHBondContact O-CB 3.45Å; F141-H145 PolarHBondContact O-CD2 3.15Å; F141-H145 PolarHBondContact O-N 2.95Å; F141-Q166 HydrophobicContact CE1-CB 4.17Å; F141-Q166 HydrophobicContact CE1-CG 3.61Å; F141-Q166 HydrophobicContact CZ-CG 4.01Å; F141-W169 AromaticContact CE2-CD2 3.84Å; F141-W169 HydrophobicContact CE2-CD2 3.84Å; F141-W169 AromaticContact CE2-CE3 3.48Å; F141-W169 HydrophobicContact CE2-CE3 3.48Å; F141-W169 VanDerWaalsContact CE2-CE3 3.48Å; F141-W169 AromaticContact CE2-CH2 3.58Å; F141-W169 HydrophobicContact CE2-CH2 3.58Å; F141-W169 AromaticContact CE2-CZ2 3.94Å; F141-W169 HydrophobicContact CE2-CZ2 3.94Å; F141-W169 AromaticContact CE2-CZ3 3.33Å; F141-W169 HydrophobicContact CE2-CZ3 3.33Å; F141-W169 AromaticContact CZ-CD2 3.93Å; F141-W169 HydrophobicContact CZ-CD2 3.93Å; F141-W169 AromaticContact CZ-CE3 3.37Å; F141-W169 HydrophobicContact CZ-CE3 3.37Å; F141-W169 HydrophobicContact CZ-CH2 4.29Å; F141-W169 AromaticContact CZ-CZ3 3.57Å; F141-W169 HydrophobicContact CZ-CZ3 3.57Å; F141-Y170 HydrophobicContact CZ-CE2 4.28Å
142	S	63.2	Low	61.4	Low	64 Å²	64	64.6 Å²	64.6	45%	0.448	32%	0.324	S	S	.	.	H	α-helix	trans	-66.9	-47	179.9	59.5	0	0	0	0	112.7	R138 L139 L140 V144 K146	R138-S142 VanDerWaalsContact O-CB 3.3Å; R138-S142 WeakPolarHBondContact O-CB 3.41Å; R138-S142 PolarHBondContact O-N 2.94Å; R138-S142 PolarHBondContact O-OG 3.36Å; L139-S142 WeakPolarHBondContact CA-OG 3.38Å; L139-S142 PolarHBondContact O-N 3.12Å; L139-S142 PolarHBondContact O-OG 2.78Å; L140-S142 PolarHBondContact O-N 3.13Å; S142-V144 VanDerWaalsContact C-N 3.28Å; S142-V144 PolarHBondContact O-N 3.39Å; S142-K146 VanDerWaalsContact O-CB 3.27Å; S142-K146 WeakPolarHBondContact O-CB 3.38Å; S142-K146 PolarHBondContact O-N 2.86Å; S142-K146 VanDerWaalsContact O-N 3.08Å
143	V	56.6	Low	60.4	Low	59 Å²	59	65.9 Å²	65.9	36%	0.358	34%	0.336	S	S	.	.	H	α-helix	trans	-61.4	-43.5	176.6	172.7	0	0	0	0	109.9	L139 E147	L139-V143 WeakPolarHBondContact O-CB 3.29Å; L139-V143 VanDerWaalsContact O-CG2 3.25Å; L139-V143 WeakPolarHBondContact O-CG2 3.37Å; L139-V143 PolarHBondContact O-N 2.82Å; V143-E147 HydrophobicContact CG1-CG 4.39Å; V143-E147 WeakPolarHBondContact O-CB 2.92Å; V143-E147 VanDerWaalsContact O-CG 3.28Å; V143-E147 WeakPolarHBondContact O-CG 3.37Å; V143-E147 PolarHBondContact O-N 2.58Å
144	V	56.8	Low	59.5	Low	13 Å²	13	70.5 Å²	70.5	8%	0.079	36%	0.361	C	S	.	.	H	α-helix	trans	-65.6	-48.5	-179.2	159.5	0	0	0	0	112.9	L140 F141 S142 K146 E147 L148 L162	L140-V144 HydrophobicContact CD1-CG2 3.78Å; L140-V144 HydrophobicContact CG-CG2 4.4Å; L140-V144 WeakPolarHBondContact O-CB 3.31Å; L140-V144 WeakPolarHBondContact O-CG2 3.49Å; L140-V144 PolarHBondContact O-N 3.25Å; F141-V144 PolarHBondContact O-N 2.91Å; S142-V144 VanDerWaalsContact C-N 3.28Å; S142-V144 PolarHBondContact O-N 3.39Å; V144-K146 VanDerWaalsContact C-N 3.28Å; V144-K146 PolarHBondContact O-N 3.35Å; V144-E147 PolarHBondContact O-N 2.93Å; V144-L148 VanDerWaalsContact O-CB 3.22Å; V144-L148 WeakPolarHBondContact O-CB 3.48Å; V144-L148 PolarHBondContact O-N 3.37Å; V144-L162 HydrophobicContact CB-CD1 3.77Å; V144-L162 HydrophobicContact CB-CD2 4.43Å; V144-L162 HydrophobicContact CG1-CD1 3.17Å; V144-L162 HydrophobicContact CG1-CD2 3.08Å; V144-L162 HydrophobicContact CG1-CG 3.58Å; V144-L162 HydrophobicContact CG2-CD1 3.24Å; V144-L162 HydrophobicContact CG2-CG 4.46Å
145	H	60.2	Low	58.9	Low	102 Å²	102	69.9 Å²	69.9	47%	0.472	36%	0.36	S	S	.	.	H	α-helix	trans	-63.1	-42.6	-178.7	-90.4	-78.8	0	0	0	109.8	F141 L148 E149	F141-H145 VanDerWaalsContact O-CB 3.28Å; F141-H145 WeakPolarHBondContact O-CB 3.45Å; F141-H145 PolarHBondContact O-CD2 3.15Å; F141-H145 PolarHBondContact O-N 2.95Å; H145-L148 PolarHBondContact O-N 3.41Å; H145-E149 WeakPolarHBondContact O-CB 3.4Å; H145-E149 WeakPolarHBondContact O-CG 3.28Å; H145-E149 PolarHBondContact O-N 3.34Å
146	K	63	Low	58.4	Low	128 Å²	128	70.1 Å²	70.1	56%	0.557	37%	0.37	S	S	*	.	H	α-helix	trans	-61	-48.1	175.7	-169.9	175.3	-179.3	-179.4	0	112.2	S142 V144 L148 E149 E150	S142-K146 VanDerWaalsContact O-CB 3.27Å; S142-K146 WeakPolarHBondContact O-CB 3.38Å; S142-K146 PolarHBondContact O-N 2.86Å; S142-K146 VanDerWaalsContact O-N 3.08Å; V144-K146 VanDerWaalsContact C-N 3.28Å; V144-K146 PolarHBondContact O-N 3.35Å; K146-L148 VanDerWaalsContact C-N 3.3Å; K146-L148 PolarHBondContact O-N 3.23Å; K146-E149 PolarHBondContact O-N 3.49Å; K146-E150 WeakPolarHBondContact CE-OE1 3.45Å; K146-E150 WeakPolarHBondContact CG-OE1 3.44Å; K146-E150 WeakPolarHBondContact O-CB 3.21Å; K146-E150 VanDerWaalsContact O-CG 3.28Å; K146-E150 WeakPolarHBondContact O-CG 3.39Å; K146-E150 PolarHBondContact O-N 3.35Å; K146-E150 VanDerWaalsContact O-N 3.09Å
147	E	54.7	Low	58	Low	47 Å²	47	72.9 Å²	72.9	22%	0.22	38%	0.377	C	S	.	.	H	α-helix	trans	-69.6	-27.4	-179.2	-73.2	-177.6	160.4	0	0	113.2	I92 V143 V144 N151	I92-E147 HydrophobicContact CG1-CB 4.48Å; I92-E147 VanDerWaalsContact CG1-CD 3.48Å; I92-E147 HydrophobicContact CG1-CG 4.25Å; I92-E147 WeakPolarHBondContact CG1-OE2 3.45Å; I92-E147 WeakPolarHBondContact CG2-OE2 3.33Å; V143-E147 HydrophobicContact CG1-CG 4.39Å; V143-E147 WeakPolarHBondContact O-CB 2.92Å; V143-E147 VanDerWaalsContact O-CG 3.28Å; V143-E147 WeakPolarHBondContact O-CG 3.37Å; V143-E147 PolarHBondContact O-N 2.58Å; V144-E147 PolarHBondContact O-N 2.93Å; E147-N151 WeakPolarHBondContact O-CB 3.49Å; E147-N151 PolarHBondContact O-N 2.95Å; E147-N151 PolarHBondContact O-ND2 3.09Å; E147-N151 VanDerWaalsContact O-ND2 3.11Å
148	L	58.3	Low	57.5	Low	48 Å²	48	73.9 Å²	73.9	25%	0.251	38%	0.383	S	S	.	.	H	α-helix	trans	-78.3	-37.2	178	-159.5	75	0	0	0	113	V144 H145 K146 K159	V144-L148 VanDerWaalsContact O-CB 3.22Å; V144-L148 WeakPolarHBondContact O-CB 3.48Å; V144-L148 PolarHBondContact O-N 3.37Å; H145-L148 PolarHBondContact O-N 3.41Å; K146-L148 VanDerWaalsContact C-N 3.3Å; K146-L148 PolarHBondContact O-N 3.23Å; L148-K159 HydrophobicContact CD1-CD 4.13Å; L148-K159 HydrophobicContact CD1-CG 3.36Å; L148-K159 HydrophobicContact CD2-CG 4.23Å; L148-K159 HydrophobicContact CG-CG 4.33Å
149	E	61	Low	57.3	Low	155 Å²	155	73.6 Å²	73.6	72%	0.724	39%	0.385	S	S	*	.	H	α-helix	trans	-68.2	-41	174	-75.9	178.6	-178.5	0	0	111.2	H145 K146	H145-E149 WeakPolarHBondContact O-CB 3.4Å; H145-E149 WeakPolarHBondContact O-CG 3.28Å; H145-E149 PolarHBondContact O-N 3.34Å; K146-E149 PolarHBondContact O-N 3.49Å
150	E	57.9	Low	57.4	Low	126 Å²	126	77.7 Å²	77.7	59%	0.589	39%	0.393	S	S	*	.	H	α-helix	trans	-76	-27.5	-176.1	-70.1	175.7	-174.3	0	0	113.4	K146	K146-E150 WeakPolarHBondContact CE-OE1 3.45Å; K146-E150 WeakPolarHBondContact CG-OE1 3.44Å; K146-E150 WeakPolarHBondContact O-CB 3.21Å; K146-E150 VanDerWaalsContact O-CG 3.28Å; K146-E150 WeakPolarHBondContact O-CG 3.39Å; K146-E150 PolarHBondContact O-N 3.35Å; K146-E150 VanDerWaalsContact O-N 3.09Å
151	N	53.4	Low	57.2	Low	51 Å²	51	79.5 Å²	79.5	27%	0.273	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	52	-172.9	-62.3	-67.9	0	0	0	113.7	E147 T153	E147-N151 WeakPolarHBondContact O-CB 3.49Å; E147-N151 PolarHBondContact O-N 2.95Å; E147-N151 PolarHBondContact O-ND2 3.09Å; E147-N151 VanDerWaalsContact O-ND2 3.11Å; N151-T153 PolarHBondContact O-N 3.19Å
152	S	49.8	Very low	57.1	Low	89 Å²	89	78.5 Å²	78.5	62%	0.622	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-22.7	-173.7	62.5	0	0	0	0	115.7
153	T	47.8	Very low	57	Low	89 Å²	89	77.3 Å²	77.3	55%	0.546	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-14.6	-166.6	56.7	0	0	0	0	117.2	R85 N151	R85-T153 PolarHBondContact NH2-OG1 3.39Å; N151-T153 PolarHBondContact O-N 3.19Å
154	D	50.7	Low	57.2	Low	97 Å²	97	78.2 Å²	78.2	52%	0.519	40%	0.399	S	S	.	.	S	Bend	trans	-122.8	22.1	-176	-75.2	-45.8	0	0	0	113.6	R85	R85-D154 IonicContact NH1-OD2 2.66Å
155	S	57.2	Low	57.4	Low	17 Å²	17	78.3 Å²	78.3	12%	0.119	40%	0.399	C	S	.	.	H	α-helix	trans	-91	-3.1	-153.1	69.7	0	0	0	0	117.6	R157 V158 K159	S155-R157 PolarHBondContact O-N 2.86Å; S155-V158 PolarHBondContact O-N 3.43Å; S155-K159 WeakPolarHBondContact O-CB 3.21Å; S155-K159 WeakPolarHBondContact O-CD 3.42Å; S155-K159 WeakPolarHBondContact O-CG 3.42Å; S155-K159 PolarHBondContact O-N 2.78Å; S155-K159 WeakPolarHBondContact OG-CD 3.39Å; S155-K159 WeakPolarHBondContact OG-CE 3.42Å; S155-K159 PolarHBondContact OG-NZ 3.44Å
156	S	58.4	Low	57.5	Low	88 Å²	88	76.2 Å²	76.2	62%	0.615	39%	0.389	S	S	*	.	H	α-helix	trans	-66.3	-44	-173.1	67.2	0	0	0	0	113.4	R160	S156-R160 WeakPolarHBondContact O-CB 3.42Å; S156-R160 WeakPolarHBondContact O-CG 3.48Å; S156-R160 PolarHBondContact O-N 3.07Å
157	R	55.5	Low	57.4	Low	108 Å²	108	73.7 Å²	73.7	41%	0.408	38%	0.376	S	S	.	.	H	α-helix	trans	-69.2	-41.4	178.2	-167.6	177.3	-177.7	155.7	8.1	111.5	S155 R160 L161 D330	S155-R157 PolarHBondContact O-N 2.86Å; R157-R160 PolarHBondContact O-N 2.93Å; R157-L161 HydrophobicContact CG-CD1 4.45Å; R157-L161 WeakPolarHBondContact O-CB 3.46Å; R157-L161 WeakPolarHBondContact O-CG 3.36Å; R157-L161 PolarHBondContact O-N 2.91Å; R157-D330 IonicContact NH2-OD1 3.29Å; R157-D330 PolarHBondContact NH2-OD1 3.39Å
158	V	54.1	Low	57.7	Low	22 Å²	22	74.7 Å²	74.7	13%	0.133	38%	0.378	C	S	.	.	H	α-helix	trans	-66.3	-45.2	177.2	-175.7	0	0	0	0	110.5	F89 I92 M93 L96 S155 R160 L161 L162	F89-V158 HydrophobicContact CD2-CG2 4.44Å; F89-V158 HydrophobicContact CE2-CG2 3.7Å; F89-V158 HydrophobicContact CZ-CG2 4.36Å; I92-V158 HydrophobicContact CG2-CG1 4Å; M93-V158 HydrophobicContact CE-CG2 3.77Å; L96-V158 HydrophobicContact CD1-CG1 4.32Å; S155-V158 PolarHBondContact O-N 3.43Å; V158-R160 PolarHBondContact O-N 2.95Å; V158-L161 PolarHBondContact O-N 3.36Å; V158-L162 WeakPolarHBondContact O-CB 3.48Å; V158-L162 PolarHBondContact O-N 2.91Å
159	K	58.2	Low	58.2	Low	99 Å²	99	73.4 Å²	73.4	43%	0.43	37%	0.37	S	S	.	.	H	α-helix	trans	-58.7	-42.9	174.5	-77	171.4	174	170.5	0	112.3	L148 S155 S163	L148-K159 HydrophobicContact CD1-CD 4.13Å; L148-K159 HydrophobicContact CD1-CG 3.36Å; L148-K159 HydrophobicContact CD2-CG 4.23Å; L148-K159 HydrophobicContact CG-CG 4.33Å; S155-K159 WeakPolarHBondContact O-CB 3.21Å; S155-K159 WeakPolarHBondContact O-CD 3.42Å; S155-K159 WeakPolarHBondContact O-CG 3.42Å; S155-K159 PolarHBondContact O-N 2.78Å; S155-K159 WeakPolarHBondContact OG-CD 3.39Å; S155-K159 WeakPolarHBondContact OG-CE 3.42Å; S155-K159 PolarHBondContact OG-NZ 3.44Å; K159-S163 WeakPolarHBondContact O-CB 3.25Å; K159-S163 PolarHBondContact O-N 3.23Å; K159-S163 PolarHBondContact O-OG 3.08Å
160	R	62.2	Low	58.3	Low	187 Å²	187	70.7 Å²	70.7	71%	0.706	35%	0.353	S	S	*	.	H	α-helix	trans	-63.1	-52.6	175.3	-78.5	-178.3	-176.6	172.5	1.6	111.4	S156 R157 V158 L162 S163 C164	S156-R160 WeakPolarHBondContact O-CB 3.42Å; S156-R160 WeakPolarHBondContact O-CG 3.48Å; S156-R160 PolarHBondContact O-N 3.07Å; R157-R160 PolarHBondContact O-N 2.93Å; V158-R160 PolarHBondContact O-N 2.95Å; R160-L162 PolarHBondContact O-N 2.68Å; R160-S163 PolarHBondContact O-N 3.33Å; R160-S163 VanDerWaalsContact O-N 3.15Å; R160-S163 PolarHBondContact O-OG 3.02Å; R160-C164 PolarHBondContact O-N 2.9Å; R160-C164 PolarHBondContact O-SG 3.16Å; R160-C164 VanDerWaalsContact O-SG 3.42Å
161	L	59.3	Low	58.5	Low	45 Å²	45	67.5 Å²	67.5	24%	0.236	35%	0.349	C	S	.	.	H	α-helix	trans	-56.6	-42.9	178.3	-77.1	169.7	0	0	0	111.7	M93 R157 V158 C164 L165 F333	M93-L161 HydrophobicContact CE-CD1 4.06Å; M93-L161 HydrophobicContact SD-CD1 4.12Å; R157-L161 HydrophobicContact CG-CD1 4.45Å; R157-L161 WeakPolarHBondContact O-CB 3.46Å; R157-L161 WeakPolarHBondContact O-CG 3.36Å; R157-L161 PolarHBondContact O-N 2.91Å; V158-L161 PolarHBondContact O-N 3.36Å; L161-C164 WeakPolarHBondContact O-CB 3.37Å; L161-C164 PolarHBondContact O-N 3.42Å; L161-L165 WeakPolarHBondContact O-CG 3.35Å; L161-L165 PolarHBondContact O-N 2.98Å; L161-F333 HydrophobicContact CD2-CE1 3.93Å; L161-F333 HydrophobicContact CD2-CZ 4.38Å
162	L	60.5	Low	59.1	Low	15 Å²	15	65.2 Å²	65.2	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-61.9	-48.8	176.6	173.1	65.1	0	0	0	112.4	V144 V158 R160 C164 L165 Q166	V144-L162 HydrophobicContact CB-CD1 3.77Å; V144-L162 HydrophobicContact CB-CD2 4.43Å; V144-L162 HydrophobicContact CG1-CD1 3.17Å; V144-L162 HydrophobicContact CG1-CD2 3.08Å; V144-L162 HydrophobicContact CG1-CG 3.58Å; V144-L162 HydrophobicContact CG2-CD1 3.24Å; V144-L162 HydrophobicContact CG2-CG 4.46Å; V158-L162 WeakPolarHBondContact O-CB 3.48Å; V158-L162 PolarHBondContact O-N 2.91Å; R160-L162 PolarHBondContact O-N 2.68Å; L162-C164 PolarHBondContact O-N 2.84Å; L162-L165 PolarHBondContact O-N 3.48Å; L162-L165 VanDerWaalsContact O-N 3.08Å; L162-Q166 WeakPolarHBondContact O-CB 3.29Å; L162-Q166 PolarHBondContact O-N 3.45Å
163	S	60.6	Low	60	Low	39 Å²	39	63.4 Å²	63.4	27%	0.273	32%	0.316	S	S	.	.	H	α-helix	trans	-59.1	-35.2	179	72.2	0	0	0	0	111.6	K159 R160 R167	K159-S163 WeakPolarHBondContact O-CB 3.25Å; K159-S163 PolarHBondContact O-N 3.23Å; K159-S163 PolarHBondContact O-OG 3.08Å; R160-S163 PolarHBondContact O-N 3.33Å; R160-S163 VanDerWaalsContact O-N 3.15Å; R160-S163 PolarHBondContact O-OG 3.02Å; S163-R167 WeakPolarHBondContact O-CB 3.39Å; S163-R167 VanDerWaalsContact O-CG 3.31Å; S163-R167 WeakPolarHBondContact O-CG 3.35Å; S163-R167 PolarHBondContact O-N 2.89Å
164	C	61.2	Low	60.9	Low	77 Å²	77	61.5 Å²	61.5	52%	0.52	30%	0.302	S	S	.	.	H	α-helix	trans	-67.3	-45.3	173.7	-67.2	0	0	0	0	111.9	R160 L161 L162 Q166 R167 R168	R160-C164 PolarHBondContact O-N 2.9Å; R160-C164 PolarHBondContact O-SG 3.16Å; R160-C164 VanDerWaalsContact O-SG 3.42Å; L161-C164 WeakPolarHBondContact O-CB 3.37Å; L161-C164 PolarHBondContact O-N 3.42Å; L162-C164 PolarHBondContact O-N 2.84Å; C164-Q166 VanDerWaalsContact C-N 3.34Å; C164-R167 PolarHBondContact O-N 3.21Å; C164-R168 WeakPolarHBondContact O-CB 3.45Å; C164-R168 PolarHBondContact O-N 3.48Å
165	L	61.2	Low	61.6	Low	16 Å²	16	60.1 Å²	60.1	8%	0.084	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-39.2	177.8	-72.4	170.1	0	0	0	111.8	L96 V99 R100 L103 L161 L162 R168 W169	L96-L165 HydrophobicContact CB-CD1 4.06Å; L96-L165 HydrophobicContact CD2-CD1 3.67Å; L96-L165 HydrophobicContact CG-CD1 4.41Å; V99-L165 HydrophobicContact CG1-CD1 4.37Å; V99-L165 HydrophobicContact CG1-CD2 4.38Å; R100-L165 HydrophobicContact CB-CD2 3.89Å; R100-L165 HydrophobicContact CG-CD2 4.34Å; L103-L165 HydrophobicContact CD1-CD2 3.9Å; L161-L165 WeakPolarHBondContact O-CG 3.35Å; L161-L165 PolarHBondContact O-N 2.98Å; L162-L165 PolarHBondContact O-N 3.48Å; L162-L165 VanDerWaalsContact O-N 3.08Å; L165-R168 PolarHBondContact O-N 3.34Å; L165-W169 WeakPolarHBondContact O-CB 3.37Å; L165-W169 PolarHBondContact O-N 3.36Å
166	Q	62.1	Low	62	Low	57 Å²	57	59.3 Å²	59.3	27%	0.266	29%	0.286	S	S	.	.	H	α-helix	trans	-62	-47.5	174.3	176.9	168.1	28.1	0	0	111.2	F141 L162 C164 R168 W169 Y170	F141-Q166 HydrophobicContact CE1-CB 4.17Å; F141-Q166 HydrophobicContact CE1-CG 3.61Å; F141-Q166 HydrophobicContact CZ-CG 4.01Å; L162-Q166 WeakPolarHBondContact O-CB 3.29Å; L162-Q166 PolarHBondContact O-N 3.45Å; C164-Q166 VanDerWaalsContact C-N 3.34Å; Q166-R168 VanDerWaalsContact C-N 3.3Å; Q166-R168 PolarHBondContact O-N 3.38Å; Q166-W169 PolarHBondContact O-N 2.83Å; Q166-Y170 HydrophobicContact CG-CD2 3.71Å; Q166-Y170 HydrophobicContact CG-CE2 3.57Å; Q166-Y170 WeakPolarHBondContact O-CD2 3.28Å; Q166-Y170 PolarHBondContact O-N 3.47Å
167	R	60.7	Low	62.4	Low	76 Å²	76	55.4 Å²	55.4	29%	0.287	26%	0.258	S	S	.	.	H	α-helix	trans	-56.5	-45.3	174.1	-78.8	177.1	-167	-179.1	8.4	112	S163 C164 Y170 A171 Y482	S163-R167 WeakPolarHBondContact O-CB 3.39Å; S163-R167 VanDerWaalsContact O-CG 3.31Å; S163-R167 WeakPolarHBondContact O-CG 3.35Å; S163-R167 PolarHBondContact O-N 2.89Å; C164-R167 PolarHBondContact O-N 3.21Å; R167-Y170 PolarHBondContact O-N 2.83Å; R167-A171 PolarHBondContact O-N 3.39Å; R167-Y482 WeakPolarHBondContact CG-OH 3.33Å; R167-Y482 PolarHBondContact NE-OH 3.37Å
168	R	62.7	Low	62.9	Low	67 Å²	67	51.4 Å²	51.4	25%	0.253	24%	0.244	S	C	.	.	H	α-helix	trans	-64.5	-43.8	179.4	-169.2	174.5	-175.9	-165	0.6	111.7	L103 T104 E107 C164 L165 Q166 Y170 A171 V172	L103-R168 HydrophobicContact CD1-CB 4.14Å; L103-R168 HydrophobicContact CD1-CG 4.19Å; T104-R168 PolarHBondContact OG1-NH1 2.98Å; T104-R168 PolarHBondContact OG1-NH2 3.16Å; E107-R168 WeakPolarHBondContact OE1-CG 3.46Å; E107-R168 IonicContact OE1-CZ 2.66Å; E107-R168 IonicContact OE1-NE 3.41Å; E107-R168 PolarHBondContact OE1-NE 2.91Å; E107-R168 IonicContact OE1-NH2 3.64Å; E107-R168 IonicContact OE2-CZ 3.37Å; E107-R168 IonicContact OE2-NE 3.32Å; E107-R168 PolarHBondContact OE2-NE 2.84Å; E107-R168 IonicContact OE2-NH2 3.87Å; E107-R168 PolarHBondContact OE2-NH2 3.26Å; C164-R168 WeakPolarHBondContact O-CB 3.45Å; C164-R168 PolarHBondContact O-N 3.48Å; L165-R168 PolarHBondContact O-N 3.34Å; Q166-R168 VanDerWaalsContact C-N 3.3Å; Q166-R168 PolarHBondContact O-N 3.38Å; R168-Y170 PolarHBondContact O-N 3.48Å; R168-A171 PolarHBondContact O-N 2.86Å; R168-V172 WeakPolarHBondContact O-CG2 3.12Å; R168-V172 PolarHBondContact O-N 2.99Å
169	W	67.1	Low	63.3	Low	21 Å²	21	51.1 Å²	51.1	8%	0.08	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-45.7	173.5	176.9	81.2	0	0	0	112.2	W102 L103 I133 G137 L140 F141 L165 Q166 A171 V172 W173	W102-W169 AromaticContact CH2-CD1 3.84Å; W102-W169 AromaticContact CZ3-CD1 3.81Å; L103-W169 HydrophobicContact CD1-CB 4.47Å; L103-W169 HydrophobicContact CD2-CB 3.87Å; L103-W169 HydrophobicContact CD2-CG 4.39Å; I133-W169 PolarHBondContact O-NE1 3.02Å; G137-W169 VanDerWaalsContact CA-NE1 3.31Å; L140-W169 HydrophobicContact CD2-CB 4.41Å; F141-W169 AromaticContact CE2-CD2 3.84Å; F141-W169 HydrophobicContact CE2-CD2 3.84Å; F141-W169 AromaticContact CE2-CE3 3.48Å; F141-W169 HydrophobicContact CE2-CE3 3.48Å; F141-W169 VanDerWaalsContact CE2-CE3 3.48Å; F141-W169 AromaticContact CE2-CH2 3.58Å; F141-W169 HydrophobicContact CE2-CH2 3.58Å; F141-W169 AromaticContact CE2-CZ2 3.94Å; F141-W169 HydrophobicContact CE2-CZ2 3.94Å; F141-W169 AromaticContact CE2-CZ3 3.33Å; F141-W169 HydrophobicContact CE2-CZ3 3.33Å; F141-W169 AromaticContact CZ-CD2 3.93Å; F141-W169 HydrophobicContact CZ-CD2 3.93Å; F141-W169 AromaticContact CZ-CE3 3.37Å; F141-W169 HydrophobicContact CZ-CE3 3.37Å; F141-W169 HydrophobicContact CZ-CH2 4.29Å; F141-W169 AromaticContact CZ-CZ3 3.57Å; F141-W169 HydrophobicContact CZ-CZ3 3.57Å; L165-W169 WeakPolarHBondContact O-CB 3.37Å; L165-W169 PolarHBondContact O-N 3.36Å; Q166-W169 PolarHBondContact O-N 2.83Å; W169-A171 VanDerWaalsContact C-N 3.33Å; W169-A171 PolarHBondContact O-N 3.25Å; W169-V172 WeakPolarHBondContact O-CB 3.1Å; W169-V172 PolarHBondContact O-N 3.42Å; W169-W173 WeakPolarHBondContact O-CB 3.04Å; W169-W173 PolarHBondContact O-N 3.49Å
170	Y	63.8	Low	63.7	Low	98 Å²	98	46.5 Å²	46.5	38%	0.384	22%	0.222	S	C	.	.	H	α-helix	trans	-61.2	-40.9	176.4	-87	-68.1	0	0	0	112.3	F141 Q166 R167 R168 W173 L174	F141-Y170 HydrophobicContact CZ-CE2 4.28Å; Q166-Y170 HydrophobicContact CG-CD2 3.71Å; Q166-Y170 HydrophobicContact CG-CE2 3.57Å; Q166-Y170 WeakPolarHBondContact O-CD2 3.28Å; Q166-Y170 PolarHBondContact O-N 3.47Å; R167-Y170 PolarHBondContact O-N 2.83Å; R168-Y170 PolarHBondContact O-N 3.48Å; Y170-W173 PolarHBondContact O-N 3.33Å; Y170-L174 WeakPolarHBondContact O-CB 3.27Å; Y170-L174 VanDerWaalsContact O-CG 3.31Å; Y170-L174 WeakPolarHBondContact O-CG 3.35Å; Y170-L174 PolarHBondContact O-N 3.19Å
171	A	62.6	Low	63.8	Low	59 Å²	59	37.9 Å²	37.9	49%	0.488	19%	0.19	S	C	.	.	H	α-helix	trans	-62.8	-43.5	176.4	0	0	0	0	0	111.8	R167 R168 W169 L174 K175	R167-A171 PolarHBondContact O-N 3.39Å; R168-A171 PolarHBondContact O-N 2.86Å; W169-A171 VanDerWaalsContact C-N 3.33Å; W169-A171 PolarHBondContact O-N 3.25Å; A171-L174 PolarHBondContact O-N 3.48Å; A171-K175 WeakPolarHBondContact O-CB 3.36Å; A171-K175 PolarHBondContact O-N 3.03Å
172	V	65.1	Low	64.1	Low	3 Å²	3	42.4 Å²	42.4	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-45.8	175.2	167.2	0	0	0	0	111.6	L103 I106 E107 L110 I133 R168 W169 K175 S176	L103-V172 HydrophobicContact CD2-CG2 4.46Å; I106-V172 HydrophobicContact CB-CG1 4.33Å; I106-V172 HydrophobicContact CG2-CG1 3.4Å; E107-V172 HydrophobicContact CG-CG2 3.41Å; E107-V172 VanDerWaalsContact CG-CG2 3.41Å; L110-V172 HydrophobicContact CD1-CG1 3.73Å; I133-V172 HydrophobicContact CD1-CG1 4.08Å; I133-V172 HydrophobicContact CG1-CG1 4.41Å; R168-V172 WeakPolarHBondContact O-CG2 3.12Å; R168-V172 PolarHBondContact O-N 2.99Å; W169-V172 WeakPolarHBondContact O-CB 3.1Å; W169-V172 PolarHBondContact O-N 3.42Å; V172-K175 WeakPolarHBondContact O-CB 2.92Å; V172-K175 PolarHBondContact O-N 3.27Å; V172-S176 PolarHBondContact O-N 2.96Å; V172-S176 PolarHBondContact O-OG 2.99Å
173	W	70.2	Confident	64.2	Low	51 Å²	51	42.1 Å²	42.1	19%	0.193	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-39.3	178.2	179.5	83.3	0	0	0	112.8	Q130 I133 W169 Y170 S176 L177	Q130-W173 VanDerWaalsContact NE2-CD1 3.25Å; I133-W173 HydrophobicContact CG2-CB 4.13Å; W169-W173 WeakPolarHBondContact O-CB 3.04Å; W169-W173 PolarHBondContact O-N 3.49Å; Y170-W173 PolarHBondContact O-N 3.33Å; W173-S176 WeakPolarHBondContact CA-OG 3.42Å; W173-S176 PolarHBondContact O-OG 2.89Å; W173-L177 HydrophobicContact CD2-CD1 3.93Å; W173-L177 HydrophobicContact CE3-CD1 3.89Å; W173-L177 HydrophobicContact CH2-CD1 3.45Å; W173-L177 VanDerWaalsContact CH2-CD1 3.45Å; W173-L177 HydrophobicContact CZ2-CD1 3.48Å; W173-L177 VanDerWaalsContact CZ2-CD1 3.48Å; W173-L177 HydrophobicContact CZ2-CG 4.47Å; W173-L177 HydrophobicContact CZ3-CD1 3.66Å; W173-L177 WeakPolarHBondContact O-CG 3.48Å; W173-L177 PolarHBondContact O-N 2.92Å; W173-L177 VanDerWaalsContact O-N 3.11Å
174	L	65.3	Low	64.3	Low	50 Å²	50	41.6 Å²	41.6	26%	0.262	20%	0.196	S	C	.	.	H	α-helix	trans	-65.8	-39.6	173.7	-74.7	176.8	0	0	0	111.9	Y170 A171 L177 E178 L400	Y170-L174 WeakPolarHBondContact O-CB 3.27Å; Y170-L174 VanDerWaalsContact O-CG 3.31Å; Y170-L174 WeakPolarHBondContact O-CG 3.35Å; Y170-L174 PolarHBondContact O-N 3.19Å; A171-L174 PolarHBondContact O-N 3.48Å; L174-L177 PolarHBondContact O-N 2.86Å; L174-E178 WeakPolarHBondContact O-CB 3.28Å; L174-E178 PolarHBondContact O-N 3.49Å; L174-L400 HydrophobicContact CD2-CD1 3.48Å; L174-L400 VanDerWaalsContact CD2-CD1 3.48Å
175	K	65.4	Low	64.4	Low	67 Å²	67	40.4 Å²	40.4	29%	0.291	19%	0.185	S	C	.	.	H	α-helix	trans	-65.7	-41.7	178.1	-174.5	176.4	-178.3	175.8	0	112	L110 D111 A171 V172 E178 M179	L110-K175 HydrophobicContact CD1-CD 4.48Å; D111-K175 IonicContact OD1-NZ 3.88Å; D111-K175 PolarHBondContact OD1-NZ 3.38Å; D111-K175 IonicContact OD2-NZ 3.47Å; A171-K175 WeakPolarHBondContact O-CB 3.36Å; A171-K175 PolarHBondContact O-N 3.03Å; V172-K175 WeakPolarHBondContact O-CB 2.92Å; V172-K175 PolarHBondContact O-N 3.27Å; K175-E178 WeakPolarHBondContact O-CB 3.2Å; K175-E178 PolarHBondContact O-N 2.87Å; K175-M179 WeakPolarHBondContact O-CG 3.3Å; K175-M179 PolarHBondContact O-N 2.94Å
176	S	66.8	Low	64.4	Low	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-42.4	175.9	55.8	0	0	0	0	111.8	Q130 V172 W173 E178 M179 I180	Q130-S176 PolarHBondContact OE1-OG 3.2Å; V172-S176 PolarHBondContact O-N 2.96Å; V172-S176 PolarHBondContact O-OG 2.99Å; W173-S176 WeakPolarHBondContact CA-OG 3.42Å; W173-S176 PolarHBondContact O-OG 2.89Å; S176-E178 PolarHBondContact O-N 3.06Å; S176-M179 PolarHBondContact O-N 2.74Å; S176-I180 WeakPolarHBondContact O-CG1 3.38Å; S176-I180 PolarHBondContact O-N 3.31Å
177	L	65.3	Low	64.4	Low	6 Å²	6	43.4 Å²	43.4	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-60.6	-42.3	173.3	-75	178.6	0	0	0	113	W173 L174 M179 I180 C181 R393	W173-L177 HydrophobicContact CD2-CD1 3.93Å; W173-L177 HydrophobicContact CE3-CD1 3.89Å; W173-L177 HydrophobicContact CH2-CD1 3.45Å; W173-L177 VanDerWaalsContact CH2-CD1 3.45Å; W173-L177 HydrophobicContact CZ2-CD1 3.48Å; W173-L177 VanDerWaalsContact CZ2-CD1 3.48Å; W173-L177 HydrophobicContact CZ2-CG 4.47Å; W173-L177 HydrophobicContact CZ3-CD1 3.66Å; W173-L177 WeakPolarHBondContact O-CG 3.48Å; W173-L177 PolarHBondContact O-N 2.92Å; W173-L177 VanDerWaalsContact O-N 3.11Å; L174-L177 PolarHBondContact O-N 2.86Å; L177-M179 VanDerWaalsContact C-N 3.31Å; L177-M179 PolarHBondContact O-N 3.36Å; L177-I180 PolarHBondContact O-N 3.41Å; L177-C181 PolarHBondContact O-N 2.85Å; L177-C181 PolarHBondContact O-SG 2.94Å; L177-R393 HydrophobicContact CD2-CB 4.43Å; L177-R393 HydrophobicContact CD2-CG 4.11Å
178	E	66.1	Low	64.6	Low	24 Å²	24	43.3 Å²	43.3	11%	0.112	20%	0.204	C	C	.	.	H	α-helix	trans	-57.7	-44.4	174.3	170.4	160.3	-165.3	0	0	111.2	L174 K175 S176 C181 R182 W397 R404	L174-E178 WeakPolarHBondContact O-CB 3.28Å; L174-E178 PolarHBondContact O-N 3.49Å; K175-E178 WeakPolarHBondContact O-CB 3.2Å; K175-E178 PolarHBondContact O-N 2.87Å; S176-E178 PolarHBondContact O-N 3.06Å; E178-C181 PolarHBondContact O-N 2.74Å; E178-R182 WeakPolarHBondContact O-CG 3.38Å; E178-R182 PolarHBondContact O-N 3.11Å; E178-R182 IonicContact OE1-CZ 3.4Å; E178-R182 IonicContact OE1-NE 3.35Å; E178-R182 PolarHBondContact OE1-NE 3.25Å; E178-R182 IonicContact OE1-NH2 2.65Å; E178-R182 PolarHBondContact OE1-NH2 2.84Å; E178-W397 HydrophobicContact CB-CE3 4.06Å; E178-W397 HydrophobicContact CB-CH2 3.65Å; E178-W397 HydrophobicContact CB-CZ2 4.29Å; E178-W397 HydrophobicContact CB-CZ3 3.48Å; E178-W397 VanDerWaalsContact CB-CZ3 3.48Å; E178-W397 HydrophobicContact CG-CH2 3.26Å; E178-W397 HydrophobicContact CG-CZ2 3.77Å; E178-W397 HydrophobicContact CG-CZ3 3.68Å; E178-W397 VanDerWaalsContact OE1-CH2 3.3Å; E178-W397 WeakPolarHBondContact OE1-CH2 3.18Å; E178-W397 WeakPolarHBondContact OE2-CH2 3.49Å; E178-R404 IonicContact OE1-NH1 3.6Å; E178-R404 PolarHBondContact OE1-NH1 3.33Å; E178-R404 IonicContact OE2-CZ 3.19Å; E178-R404 IonicContact OE2-NH1 3.57Å; E178-R404 PolarHBondContact OE2-NH1 3.3Å; E178-R404 IonicContact OE2-NH2 2.74Å; E178-R404 PolarHBondContact OE2-NH2 3.44Å
179	M	63.6	Low	64.3	Low	17 Å²	17	44 Å²	44	8%	0.084	21%	0.212	C	C	.	.	H	α-helix	trans	-66.5	-39.4	178	-70.7	-179	67.8	0	0	112.9	L110 L113 V114 I126 K175 S176 L177 R182 C183	L110-M179 HydrophobicContact CB-SD 4.32Å; L110-M179 HydrophobicContact CD2-SD 3.82Å; L113-M179 HydrophobicContact CB-CE 3.54Å; V114-M179 HydrophobicContact CB-CE 4.42Å; V114-M179 HydrophobicContact CG2-CE 3.62Å; V114-M179 HydrophobicContact CG2-CG 4.46Å; V114-M179 HydrophobicContact CG2-SD 3.66Å; I126-M179 HydrophobicContact CD1-CB 4.16Å; I126-M179 HydrophobicContact CD1-CE 4.05Å; I126-M179 HydrophobicContact CG1-CE 4.45Å; I126-M179 HydrophobicContact CG2-CB 4.24Å; K175-M179 WeakPolarHBondContact O-CG 3.3Å; K175-M179 PolarHBondContact O-N 2.94Å; S176-M179 PolarHBondContact O-N 2.74Å; L177-M179 VanDerWaalsContact C-N 3.31Å; L177-M179 PolarHBondContact O-N 3.36Å; M179-R182 PolarHBondContact O-N 2.95Å; M179-C183 PolarHBondContact O-N 3.42Å; M179-C183 PolarHBondContact O-SG 3.19Å
180	I	65.7	Low	63.7	Low	2 Å²	2	47 Å²	47	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-59	-50.2	173.5	-66.5	173.3	0	0	0	109.8	I126 Q127 Q130 S176 L177 R182 C183 E184	I126-I180 HydrophobicContact CB-CG1 4.23Å; I126-I180 HydrophobicContact CG2-CD1 4.12Å; I126-I180 HydrophobicContact CG2-CG1 3.34Å; Q127-I180 HydrophobicContact CG-CD1 4.48Å; Q130-I180 HydrophobicContact CB-CD1 3.86Å; Q130-I180 HydrophobicContact CG-CD1 3.94Å; S176-I180 WeakPolarHBondContact O-CG1 3.38Å; S176-I180 PolarHBondContact O-N 3.31Å; L177-I180 PolarHBondContact O-N 3.41Å; I180-R182 VanDerWaalsContact C-N 3.32Å; I180-R182 PolarHBondContact O-N 2.95Å; I180-C183 PolarHBondContact O-N 2.74Å; I180-C183 VanDerWaalsContact O-N 3.12Å; I180-E184 HydrophobicContact CG2-CG 4.31Å; I180-E184 WeakPolarHBondContact O-CG 3.36Å; I180-E184 PolarHBondContact O-N 2.91Å
181	C	64.2	Low	63.3	Low	5 Å²	5	47.8 Å²	47.8	3%	0.034	24%	0.242	C	C	.	.	H	α-helix	trans	-60.7	-42.3	-179	-65.9	0	0	0	0	111.7	L177 E178 C183 E184 D185 W397	L177-C181 PolarHBondContact O-N 2.85Å; L177-C181 PolarHBondContact O-SG 2.94Å; E178-C181 PolarHBondContact O-N 2.74Å; C181-C183 PolarHBondContact O-N 2.91Å; C181-E184 PolarHBondContact O-N 3.21Å; C181-D185 WeakPolarHBondContact O-CB 3.1Å; C181-D185 PolarHBondContact O-N 3.29Å; C181-W397 HydrophobicContact CB-CD2 4.34Å; C181-W397 HydrophobicContact CB-CG 3.93Å; C181-W397 VanDerWaalsContact SG-CG 3.59Å
182	R	64.8	Low	62.7	Low	140 Å²	140	51.2 Å²	51.2	53%	0.528	25%	0.248	S	C	.	.	H	α-helix	trans	-62.3	-41.2	174.9	-72.2	178.5	-176.3	-159.6	2.8	112.3	E178 M179 I180 L186	E178-R182 WeakPolarHBondContact O-CG 3.38Å; E178-R182 PolarHBondContact O-N 3.11Å; E178-R182 IonicContact OE1-CZ 3.4Å; E178-R182 IonicContact OE1-NE 3.35Å; E178-R182 PolarHBondContact OE1-NE 3.25Å; E178-R182 IonicContact OE1-NH2 2.65Å; E178-R182 PolarHBondContact OE1-NH2 2.84Å; M179-R182 PolarHBondContact O-N 2.95Å; I180-R182 VanDerWaalsContact C-N 3.32Å; I180-R182 PolarHBondContact O-N 2.95Å; R182-L186 WeakPolarHBondContact O-CB 3.39Å; R182-L186 WeakPolarHBondContact O-CD1 3.25Å; R182-L186 VanDerWaalsContact O-CG 3.26Å; R182-L186 WeakPolarHBondContact O-CG 3.39Å; R182-L186 PolarHBondContact O-N 2.65Å
183	C	63	Low	61.8	Low	10 Å²	10	54.8 Å²	54.8	7%	0.068	27%	0.27	C	S	.	.	H	α-helix	trans	-65.3	-43.1	175.9	-68.2	0	0	0	0	111.5	I126 M179 I180 C181 L186 L187	I126-C183 WeakPolarHBondContact CD1-SG 3.35Å; M179-C183 PolarHBondContact O-N 3.42Å; M179-C183 PolarHBondContact O-SG 3.19Å; I180-C183 PolarHBondContact O-N 2.74Å; I180-C183 VanDerWaalsContact O-N 3.12Å; C181-C183 PolarHBondContact O-N 2.91Å; C183-L186 PolarHBondContact O-N 3.48Å; C183-L187 WeakPolarHBondContact O-CB 3.47Å; C183-L187 VanDerWaalsContact O-CG 3.3Å; C183-L187 WeakPolarHBondContact O-CG 3.37Å; C183-L187 PolarHBondContact O-N 2.66Å
184	E	64	Low	60.5	Low	27 Å²	27	56.7 Å²	56.7	13%	0.126	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-43.1	176.6	-73.8	-178.1	-170.6	0	0	112.5	I180 C181 L186 L187 K188	I180-E184 HydrophobicContact CG2-CG 4.31Å; I180-E184 WeakPolarHBondContact O-CG 3.36Å; I180-E184 PolarHBondContact O-N 2.91Å; C181-E184 PolarHBondContact O-N 3.21Å; E184-L186 VanDerWaalsContact C-N 3.31Å; E184-L186 PolarHBondContact O-N 3.25Å; E184-L187 PolarHBondContact O-N 3.4Å; E184-K188 WeakPolarHBondContact O-CB 3.45Å; E184-K188 VanDerWaalsContact O-CG 3.27Å; E184-K188 WeakPolarHBondContact O-CG 3.41Å; E184-K188 PolarHBondContact O-N 3.46Å; E184-K188 IonicContact OE2-NZ 3.95Å
185	D	62.9	Low	59.5	Low	53 Å²	53	57.4 Å²	57.4	28%	0.283	29%	0.291	S	S	.	.	H	α-helix	trans	-65.3	-37.5	177.7	-73.2	-24.1	0	0	0	110.9	C181 K188 N189 R394	C181-D185 WeakPolarHBondContact O-CB 3.1Å; C181-D185 PolarHBondContact O-N 3.29Å; D185-K188 PolarHBondContact O-N 2.92Å; D185-N189 WeakPolarHBondContact O-CB 3.39Å; D185-N189 PolarHBondContact O-N 2.86Å; D185-N189 PolarHBondContact O-ND2 3.14Å; D185-R394 IonicContact OD1-CZ 3.84Å; D185-R394 IonicContact OD1-NH2 2.85Å; D185-R394 PolarHBondContact OD1-NH2 2.93Å
186	L	60.3	Low	58.6	Low	78 Å²	78	57.1 Å²	57.1	41%	0.408	30%	0.301	S	S	.	.	H	α-helix	trans	-70.3	-40.5	175.7	-71.8	166.3	0	0	0	112.4	P118 R182 C183 E184 K188 N189 V190	P118-L186 HydrophobicContact CB-CD1 3.98Å; P118-L186 HydrophobicContact CG-CB 4.26Å; P118-L186 HydrophobicContact CG-CD1 3.19Å; P118-L186 HydrophobicContact CG-CG 4.28Å; R182-L186 WeakPolarHBondContact O-CB 3.39Å; R182-L186 WeakPolarHBondContact O-CD1 3.25Å; R182-L186 VanDerWaalsContact O-CG 3.26Å; R182-L186 WeakPolarHBondContact O-CG 3.39Å; R182-L186 PolarHBondContact O-N 2.65Å; C183-L186 PolarHBondContact O-N 3.48Å; E184-L186 VanDerWaalsContact C-N 3.31Å; E184-L186 PolarHBondContact O-N 3.25Å; L186-K188 VanDerWaalsContact C-N 3.35Å; L186-N189 PolarHBondContact O-N 3.24Å; L186-V190 WeakPolarHBondContact O-CG2 3.48Å; L186-V190 PolarHBondContact O-N 3.41Å
187	L	63.2	Low	57.3	Low	58 Å²	58	62.8 Å²	62.8	30%	0.304	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-41.9	172.7	-73.5	169.3	0	0	0	111.4	C183 E184 N189 V190 I191	C183-L187 WeakPolarHBondContact O-CB 3.47Å; C183-L187 VanDerWaalsContact O-CG 3.3Å; C183-L187 WeakPolarHBondContact O-CG 3.37Å; C183-L187 PolarHBondContact O-N 2.66Å; E184-L187 PolarHBondContact O-N 3.4Å; L187-N189 PolarHBondContact O-N 3.27Å; L187-V190 PolarHBondContact O-N 3.09Å; L187-I191 WeakPolarHBondContact O-CD1 3.38Å; L187-I191 VanDerWaalsContact O-CG1 3.25Å; L187-I191 WeakPolarHBondContact O-CG1 3.4Å; L187-I191 PolarHBondContact O-N 3.08Å
188	K	63.6	Low	56.3	Low	73 Å²	73	66.8 Å²	66.8	32%	0.317	36%	0.358	S	S	.	.	H	α-helix	trans	-61.3	-42.9	174.3	-75.7	169.7	-172.1	159.1	0	111.8	E184 D185 L186 I191 Q192 R394	E184-K188 WeakPolarHBondContact O-CB 3.45Å; E184-K188 VanDerWaalsContact O-CG 3.27Å; E184-K188 WeakPolarHBondContact O-CG 3.41Å; E184-K188 PolarHBondContact O-N 3.46Å; E184-K188 IonicContact OE2-NZ 3.95Å; D185-K188 PolarHBondContact O-N 2.92Å; L186-K188 VanDerWaalsContact C-N 3.35Å; K188-I191 PolarHBondContact O-N 3.26Å; K188-Q192 WeakPolarHBondContact O-CB 3.35Å; K188-Q192 WeakPolarHBondContact O-CG 3.46Å; K188-Q192 PolarHBondContact O-N 2.83Å; K188-R394 VanDerWaalsContact NZ-CZ 3.31Å
189	N	57.8	Low	55.2	Low	82 Å²	82	72.4 Å²	72.4	44%	0.439	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-40.4	176.7	-69.6	-19.3	0	0	0	111.6	D185 L186 L187 Q192 V193	D185-N189 WeakPolarHBondContact O-CB 3.39Å; D185-N189 PolarHBondContact O-N 2.86Å; D185-N189 PolarHBondContact O-ND2 3.14Å; L186-N189 PolarHBondContact O-N 3.24Å; L187-N189 PolarHBondContact O-N 3.27Å; N189-Q192 PolarHBondContact O-N 3.43Å; N189-V193 WeakPolarHBondContact O-CB 3.47Å; N189-V193 WeakPolarHBondContact O-CG2 3.33Å; N189-V193 PolarHBondContact O-N 3.47Å
190	V	54.6	Low	54.3	Low	84 Å²	84	75.7 Å²	75.7	51%	0.509	41%	0.413	S	S	.	.	H	α-helix	trans	-63.3	-44.6	175.4	172.2	0	0	0	0	110.9	L186 L187 V193 M194	L186-V190 WeakPolarHBondContact O-CG2 3.48Å; L186-V190 PolarHBondContact O-N 3.41Å; L187-V190 PolarHBondContact O-N 3.09Å; V190-V193 PolarHBondContact O-N 3.48Å; V190-M194 HydrophobicContact CG1-CG 4.47Å; V190-M194 HydrophobicContact CG1-SD 3.97Å; V190-M194 WeakPolarHBondContact O-CB 3.37Å; V190-M194 VanDerWaalsContact O-CG 3.26Å; V190-M194 WeakPolarHBondContact O-CG 3.44Å; V190-M194 PolarHBondContact O-N 3.02Å
191	I	53.9	Low	52.9	Low	114 Å²	114	83.7 Å²	83.7	59%	0.585	45%	0.449	S	S	*	.	H	α-helix	trans	-62.9	-43.7	176.9	-66.5	163.4	0	0	0	111	L187 K188 M194 S195	L187-I191 WeakPolarHBondContact O-CD1 3.38Å; L187-I191 VanDerWaalsContact O-CG1 3.25Å; L187-I191 WeakPolarHBondContact O-CG1 3.4Å; L187-I191 PolarHBondContact O-N 3.08Å; K188-I191 PolarHBondContact O-N 3.26Å; I191-M194 PolarHBondContact O-N 3.15Å; I191-S195 WeakPolarHBondContact O-CB 3.47Å; I191-S195 PolarHBondContact O-N 2.9Å
192	Q	50	Low	51.3	Low	131 Å²	131	92.4 Å²	92.4	61%	0.612	49%	0.489	S	S	*	.	H	α-helix	trans	-65.3	-41.7	177.7	-76.6	-179.8	-6.6	0	0	112.4	K188 N189 M194 S195 A196	K188-Q192 WeakPolarHBondContact O-CB 3.35Å; K188-Q192 WeakPolarHBondContact O-CG 3.46Å; K188-Q192 PolarHBondContact O-N 2.83Å; N189-Q192 PolarHBondContact O-N 3.43Å; Q192-M194 VanDerWaalsContact C-N 3.35Å; Q192-S195 PolarHBondContact O-N 2.99Å; Q192-A196 WeakPolarHBondContact O-CB 3.41Å; Q192-A196 PolarHBondContact O-N 3.35Å
193	V	47.4	Very low	49.7	Very low	78 Å²	78	93.7 Å²	93.7	47%	0.473	50%	0.498	S	S	.	.	H	α-helix	trans	-64.4	-40.9	175.8	170.2	0	0	0	0	110.6	N189 V190 A196 M197	N189-V193 WeakPolarHBondContact O-CB 3.47Å; N189-V193 WeakPolarHBondContact O-CG2 3.33Å; N189-V193 PolarHBondContact O-N 3.47Å; V190-V193 PolarHBondContact O-N 3.48Å; V193-A196 PolarHBondContact O-N 2.92Å; V193-M197 HydrophobicContact CG1-CE 3.59Å; V193-M197 HydrophobicContact CG1-SD 4.41Å; V193-M197 WeakPolarHBondContact O-CB 3.29Å; V193-M197 WeakPolarHBondContact O-CG 3.29Å; V193-M197 PolarHBondContact O-N 3Å
194	M	42.5	Very low	48.1	Very low	91 Å²	91	100.8 Å²	100.8	45%	0.448	53%	0.53	S	S	.	.	H	α-helix	trans	-67.5	-37.9	175.2	-71.9	-179.8	68.8	0	0	112.4	V190 I191 Q192 M197 S198	V190-M194 HydrophobicContact CG1-CG 4.47Å; V190-M194 HydrophobicContact CG1-SD 3.97Å; V190-M194 WeakPolarHBondContact O-CB 3.37Å; V190-M194 VanDerWaalsContact O-CG 3.26Å; V190-M194 WeakPolarHBondContact O-CG 3.44Å; V190-M194 PolarHBondContact O-N 3.02Å; I191-M194 PolarHBondContact O-N 3.15Å; Q192-M194 VanDerWaalsContact C-N 3.35Å; M194-M197 PolarHBondContact O-N 2.85Å; M194-S198 WeakPolarHBondContact O-CB 3.37Å; M194-S198 PolarHBondContact O-N 2.94Å; M194-S198 PolarHBondContact O-OG 2.85Å
195	S	44.6	Very low	46.5	Very low	65 Å²	65	105.5 Å²	105.5	46%	0.455	56%	0.564	S	S	.	*	H	α-helix	trans	-65	-43.5	174.4	-162.6	0	0	0	0	111.2	I191 Q192 M197 S198 D199	I191-S195 WeakPolarHBondContact O-CB 3.47Å; I191-S195 PolarHBondContact O-N 2.9Å; Q192-S195 PolarHBondContact O-N 2.99Å; S195-M197 VanDerWaalsContact C-N 3.35Å; S195-M197 PolarHBondContact O-N 2.85Å; S195-S198 WeakPolarHBondContact O-CB 3.28Å; S195-S198 PolarHBondContact O-N 3.33Å; S195-S198 VanDerWaalsContact O-N 3.12Å; S195-D199 PolarHBondContact O-N 3.37Å; S195-D199 VanDerWaalsContact O-N 3.11Å
196	A	45.4	Very low	44.7	Very low	61 Å²	61	108.1 Å²	108.1	50%	0.504	59%	0.586	S	S	.	*	H	α-helix	trans	-68	-31.5	176.7	0	0	0	0	0	113.1	Q192 V193 S198 S200	Q192-A196 WeakPolarHBondContact O-CB 3.41Å; Q192-A196 PolarHBondContact O-N 3.35Å; V193-A196 PolarHBondContact O-N 2.92Å; A196-S198 VanDerWaalsContact C-N 3.33Å; A196-S200 PolarHBondContact O-N 2.97Å; A196-S200 PolarHBondContact O-OG 3.45Å
197	M	41	Very low	43.3	Very low	119 Å²	119	110.3 Å²	110.3	59%	0.586	61%	0.608	S	S	*	*	H	α-helix	trans	-72.7	-26.5	171	-75.3	-176.5	-167.8	0	0	112.7	V193 M194 S195 S200	V193-M197 HydrophobicContact CG1-CE 3.59Å; V193-M197 HydrophobicContact CG1-SD 4.41Å; V193-M197 WeakPolarHBondContact O-CB 3.29Å; V193-M197 WeakPolarHBondContact O-CG 3.29Å; V193-M197 PolarHBondContact O-N 3Å; M194-M197 PolarHBondContact O-N 2.85Å; S195-M197 VanDerWaalsContact C-N 3.35Å; S195-M197 PolarHBondContact O-N 2.85Å; M197-S200 WeakPolarHBondContact CA-OG 3.41Å; M197-S200 PolarHBondContact O-OG 3.36Å
198	S	42.8	Very low	41.6	Very low	91 Å²	91	116.1 Å²	116.1	64%	0.636	64%	0.635	S	S	*	*	H	α-helix	trans	-75.3	-34.7	177.4	-56.8	0	0	0	0	111.6	M194 S195 A196 S200	M194-S198 WeakPolarHBondContact O-CB 3.37Å; M194-S198 PolarHBondContact O-N 2.94Å; M194-S198 PolarHBondContact O-OG 2.85Å; S195-S198 WeakPolarHBondContact O-CB 3.28Å; S195-S198 PolarHBondContact O-N 3.33Å; S195-S198 VanDerWaalsContact O-N 3.12Å; A196-S198 VanDerWaalsContact C-N 3.33Å; S198-S200 VanDerWaalsContact C-N 3.32Å; S198-S200 PolarHBondContact O-N 3.3Å
199	D	44.4	Very low	40.2	Very low	142 Å²	142	121.9 Å²	121.9	76%	0.759	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-9.6	177.1	-70.7	-20.6	0	0	0	113.9	S195	S195-D199 PolarHBondContact O-N 3.37Å; S195-D199 VanDerWaalsContact O-N 3.11Å
200	S	43.5	Very low	38.9	Very low	85 Å²	85	129.1 Å²	129.1	59%	0.594	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	8.8	-177.6	48.8	0	0	0	0	114.7	A196 M197 S198	A196-S200 PolarHBondContact O-N 2.97Å; A196-S200 PolarHBondContact O-OG 3.45Å; M197-S200 WeakPolarHBondContact CA-OG 3.41Å; M197-S200 PolarHBondContact O-OG 3.36Å; S198-S200 VanDerWaalsContact C-N 3.32Å; S198-S200 PolarHBondContact O-N 3.3Å
201	F	36.5	Very low	37.8	Very low	171 Å²	171	134.6 Å²	134.6	75%	0.75	70%	0.699	S	S	*	*			trans	-111.6	52.5	178.9	-113	-88.1	0	0	0	113.4	F203	F201-F203 PolarHBondContact O-N 3.4Å; F201-F203 VanDerWaalsContact O-N 3.11Å
202	E	32.2	Very low	36.7	Very low	188 Å²	188	139.2 Å²	139.2	88%	0.879	71%	0.709	S	S	*	*			trans	-74.3	75.5	150.6	-81.6	-170.7	151	0	0	108.8
203	F	30	Very low	36	Very low	166 Å²	166	138.9 Å²	138.9	73%	0.728	71%	0.711	S	S	*	*	S	Bend	trans	-168.5	110.1	150.8	-124.7	-93.5	0	0	0	112.7	F201	F201-F203 PolarHBondContact O-N 3.4Å; F201-F203 VanDerWaalsContact O-N 3.11Å
204	Q	30.7	Very low	35.4	Very low	159 Å²	159	140.5 Å²	140.5	74%	0.743	72%	0.717	S	S	*	*			trans	46.2	121.4	153.2	-69.2	-169.9	-23.6	0	0	121.8
205	P	29	Very low	35	Very low	127 Å²	127	144.4 Å²	144.4	83%	0.825	73%	0.734	S	S	*	*			trans	-91.3	107.7	-178.3	35.7	-29.7	0	0	0	112
206	S	26.7	Very low	34.4	Very low	107 Å²	107	147.8 Å²	147.8	75%	0.748	74%	0.744	S	S	*	*			trans	-169.6	83.7	158.8	48.6	0	0	0	0	110.8
207	S	29.2	Very low	34	Very low	124 Å²	124	147.5 Å²	147.5	87%	0.867	74%	0.742	S	S	*	*	S	Bend	trans	168	-12.9	147.2	49.6	0	0	0	0	116.8
208	M	28.6	Very low	33.5	Very low	180 Å²	180	147.9 Å²	147.9	89%	0.887	75%	0.746	S	S	*	*			trans	-96.4	117.1	-178.4	-101.9	168	71.1	0	0	112.8	R210	M208-R210 PolarHBondContact O-N 2.8Å; M208-R210 VanDerWaalsContact O-N 3.11Å
209	K	34.4	Very low	33.2	Very low	195 Å²	195	148 Å²	148	85%	0.848	75%	0.747	S	S	*	*			trans	-48.2	114.7	171.8	-71	173.9	177.1	174.6	0	109.5	F211	K209-F211 PolarHBondContact O-N 3.32Å
210	R	30.4	Very low	32.8	Very low	233 Å²	233	148.3 Å²	148.3	88%	0.879	75%	0.748	S	S	*	*			trans	-61	106.5	175.3	-64.2	178.8	-168.8	172.6	2.4	108.9	M208 R212	M208-R210 PolarHBondContact O-N 2.8Å; M208-R210 VanDerWaalsContact O-N 3.11Å; R210-R212 PolarHBondContact O-N 2.98Å
211	F	30.2	Very low	32.1	Very low	199 Å²	199	151.9 Å²	151.9	87%	0.873	76%	0.755	S	S	*	*			trans	-69.4	112.9	153.8	-81.3	-88.5	0	0	0	106.1	K209 L213	K209-F211 PolarHBondContact O-N 3.32Å; F211-L213 PolarHBondContact O-N 2.92Å
212	R	31.2	Very low	31.8	Very low	212 Å²	212	152.5 Å²	152.5	80%	0.8	77%	0.765	S	S	*	*			trans	-65.8	112.6	177	-79.4	-175.2	169.5	136.3	-4	108.4	R210 D214	R210-R212 PolarHBondContact O-N 2.98Å; R212-D214 PolarHBondContact O-N 3.44Å
213	L	36.3	Very low	31.6	Very low	124 Å²	124	146.6 Å²	146.6	65%	0.649	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	2.1	176.9	-149.2	86.7	0	0	0	112.5	F211	F211-L213 PolarHBondContact O-N 2.92Å
214	D	34.6	Very low	31.7	Very low	112 Å²	112	145.2 Å²	145.2	60%	0.599	76%	0.76	S	S	*	*	H	α-helix	trans	-78.9	-16.2	-175.5	-63.6	-33.7	0	0	0	113.6	R212 N218	R212-D214 PolarHBondContact O-N 3.44Å; D214-N218 PolarHBondContact O-ND2 2.94Å
215	E	33.3	Very low	31.6	Very low	172 Å²	172	145.1 Å²	145.1	80%	0.804	76%	0.764	S	S	*	*	H	α-helix	trans	-84	-25.5	-179.8	-102.1	172.4	166.4	0	0	113.9	S219	E215-S219 PolarHBondContact O-OG 2.94Å
216	M	33.2	Very low	31.8	Very low	137 Å²	137	146.1 Å²	146.1	68%	0.675	76%	0.763	S	S	*	*	H	α-helix	trans	-92.5	-24.4	177.3	-89.7	-159.5	176.4	0	0	114.1	S219	M216-S219 PolarHBondContact O-OG 3.44Å
217	A	35.8	Very low	31.8	Very low	54 Å²	54	149.7 Å²	149.7	45%	0.446	77%	0.768	S	S	.	*	H	α-helix	trans	-76.7	-32.3	178.3	0	0	0	0	0	112.3	S219 L220	A217-S219 VanDerWaalsContact C-N 3.33Å; A217-S219 PolarHBondContact O-N 3.35Å; A217-L220 PolarHBondContact O-N 3.19Å
218	N	31.8	Very low	32	Very low	128 Å²	128	150.8 Å²	150.8	68%	0.684	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-11.7	-179.1	-71.8	-16.1	0	0	0	114.2	D214	D214-N218 PolarHBondContact O-ND2 2.94Å
219	S	34.8	Very low	32.1	Very low	93 Å²	93	149.6 Å²	149.6	65%	0.65	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-1.2	173.4	42.4	0	0	0	0	113.4	E215 M216 A217	E215-S219 PolarHBondContact O-OG 2.94Å; M216-S219 PolarHBondContact O-OG 3.44Å; A217-S219 VanDerWaalsContact C-N 3.33Å; A217-S219 PolarHBondContact O-N 3.35Å
220	L	35.8	Very low	31.7	Very low	148 Å²	148	145.7 Å²	145.7	78%	0.775	76%	0.755	S	S	*	*	S	Bend	trans	-107.9	11.3	179.9	-128.5	96.5	0	0	0	114	A217	A217-L220 PolarHBondContact O-N 3.19Å
221	H	29.6	Very low	31.8	Very low	160 Å²	160	139.7 Å²	139.7	74%	0.741	75%	0.747	S	S	*	*			trans	-119.8	77.8	179	-92.5	-72	0	0	0	111.6
222	L	31.1	Very low	31.7	Very low	184 Å²	184	137.5 Å²	137.5	96%	0.963	74%	0.744	S	S	*	*			trans	-154.4	120.8	163.4	-72.8	175.2	0	0	0	107
223	G	27.3	Very low	31.9	Very low	65 Å²	65	134.1 Å²	134.1	67%	0.67	75%	0.747	S	S	*	*			cis	-170.1	111.6	-7.1	0	0	0	0	0	102.8
224	V	32.1	Very low	31.6	Very low	137 Å²	137	131.1 Å²	131.1	83%	0.83	75%	0.746	S	S	*	*			trans	-100.4	96.3	166.7	178.5	0	0	0	0	103.9	D226	V224-D226 PolarHBondContact O-N 3.41Å
225	D	27.8	Very low	31.4	Very low	156 Å²	156	137 Å²	137	83%	0.834	76%	0.761	S	S	*	*			trans	-62.8	106.6	164.2	-71.5	-42.7	0	0	0	107
226	D	32.8	Very low	31.2	Very low	149 Å²	149	134.5 Å²	134.5	80%	0.797	76%	0.763	S	S	*	*			trans	-144.3	117.9	148.2	-92	-34.3	0	0	0	107.1	V224	V224-D226 PolarHBondContact O-N 3.41Å
227	E	27.5	Very low	31.3	Very low	181 Å²	181	133.9 Å²	133.9	85%	0.846	77%	0.771	S	S	*	*			trans	-48.1	155.3	175.4	-64.5	171.2	122.6	0	0	111.7
228	I	32.5	Very low	31.1	Very low	148 Å²	148	134.4 Å²	134.4	76%	0.759	78%	0.782	S	S	*	*			trans	133.7	100.2	146.4	-65.8	159.9	0	0	0	112.3
229	I	31.5	Very low	31	Very low	154 Å²	154	136.1 Å²	136.1	79%	0.79	79%	0.791	S	S	*	*			trans	93.7	96.5	151.6	-55.3	160.6	0	0	0	118.5
230	S	25.7	Very low	30.9	Very low	113 Å²	113	137.2 Å²	137.2	79%	0.79	80%	0.799	S	S	*	*			trans	-75.1	155.4	146.1	-74.9	0	0	0	0	109.8
231	P	32.9	Very low	30.6	Very low	108 Å²	108	134 Å²	134	70%	0.701	79%	0.794	S	S	*	*				-151.7	153.5	72.8	37.4	-15.6	0	0	0	118.9
232	D	27.9	Very low	30.7	Very low	152 Å²	152	137.9 Å²	137.9	81%	0.813	80%	0.802	S	S	*	*			trans	41.4	107.1	137.9	-68.1	-29.2	0	0	0	120.9
233	V	36.5	Very low	30.6	Very low	142 Å²	142	134.6 Å²	134.6	86%	0.861	79%	0.794	S	S	*	*				-147.4	109.9	127.3	-172	0	0	0	0	108.8
234	G	29.1	Very low	30.7	Very low	61 Å²	61	140 Å²	140	63%	0.629	80%	0.804	S	S	*	*			trans	-85.7	149.7	177	0	0	0	0	0	113.5
235	Y	31.2	Very low	30.6	Very low	235 Å²	235	141.7 Å²	141.7	92%	0.922	80%	0.803	S	S	*	*			trans	-147	120.1	146.9	-91.6	-77.5	0	0	0	109.4
236	S	28.4	Very low	30.7	Very low	120 Å²	120	139.8 Å²	139.8	84%	0.839	80%	0.797	S	S	*	*			trans	-115.9	129.9	-178	-162.7	0	0	0	0	108.9
237	S	35	Very low	30.7	Very low	123 Å²	123	140 Å²	140	86%	0.86	80%	0.797	S	S	*	*			trans	171	129.8	150.3	60.6	0	0	0	0	106.6
238	G	32	Very low	30.7	Very low	65 Å²	65	138.1 Å²	138.1	67%	0.67	79%	0.793	S	S	*	*			cis	141.7	121.9	19.9	0	0	0	0	0	106.8
239	N	30.3	Very low	30.9	Very low	164 Å²	164	134 Å²	134	88%	0.877	78%	0.778	S	S	*	*			trans	63	118.2	153.8	-58.3	-6.5	0	0	0	119.4
240	S	30.8	Very low	31.1	Very low	117 Å²	117	130.9 Å²	130.9	82%	0.818	78%	0.775	S	S	*	*				158.8	138.7	78.8	-158.5	0	0	0	0	112.7
241	A	30.2	Very low	31.6	Very low	81 Å²	81	131.5 Å²	131.5	67%	0.669	77%	0.769	S	S	*	*			trans	82.6	97.9	144.5	0	0	0	0	0	120.9
242	R	32.8	Very low	31.8	Very low	241 Å²	241	131.1 Å²	131.1	91%	0.909	76%	0.762	S	S	*	*				130.2	103.7	111.1	-80.9	168.2	112.6	176.6	2	115.9
243	S	27.7	Very low	32.1	Very low	114 Å²	114	131.3 Å²	131.3	80%	0.797	76%	0.755	S	S	*	*				50.8	104	128.2	160.6	0	0	0	0	118.3
244	M	30.6	Very low	32	Very low	179 Å²	179	127.4 Å²	127.4	88%	0.882	74%	0.738	S	S	*	*			trans	-155.1	134	139.4	-96.2	-75.5	-84.1	0	0	108.4
245	H	29.9	Very low	32.4	Very low	172 Å²	172	131.1 Å²	131.1	80%	0.796	74%	0.739	S	S	*	*			trans	-29.5	121.5	-178.3	-120.9	-88.4	0	0	0	116.3
246	T	29.2	Very low	32.9	Very low	116 Å²	116	125.2 Å²	125.2	71%	0.712	72%	0.723	S	S	*	*			trans	-80.9	119.3	158.4	39.7	0	0	0	0	108.5
247	L	32.4	Very low	33.1	Very low	154 Å²	154	123.3 Å²	123.3	81%	0.806	70%	0.7	S	S	*	*			trans	-93.5	100.2	159.1	-78.6	170.8	0	0	0	106.6
248	D	28.7	Very low	33.2	Very low	141 Å²	141	122.4 Å²	122.4	75%	0.754	69%	0.686	S	S	*	*			trans	-66.2	129.5	166.5	-80.9	-43.2	0	0	0	110.1
249	S	35.4	Very low	33.6	Very low	62 Å²	62	123.9 Å²	123.9	43%	0.434	68%	0.678	S	S	.	*			trans	141.6	121.5	137.8	70.4	0	0	0	0	111.6	D251 D252	S249-D251 PolarHBondContact O-N 3.15Å; S249-D251 VanDerWaalsContact O-N 3.14Å; S249-D252 PolarHBondContact O-N 3.19Å
250	A	36.7	Very low	33.7	Very low	89 Å²	89	123.4 Å²	123.4	74%	0.736	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-11.4	173.4	0	0	0	0	0	112.9	F253	A250-F253 PolarHBondContact O-N 3.41Å
251	D	36.2	Very low	33.8	Very low	126 Å²	126	121.7 Å²	121.7	67%	0.674	65%	0.646	S	S	*	*	H	α-helix	trans	-73.3	-32.7	-179.1	-61.2	-33.3	0	0	0	112	S249 F253 A254 E255	S249-D251 PolarHBondContact O-N 3.15Å; S249-D251 VanDerWaalsContact O-N 3.14Å; D251-F253 PolarHBondContact O-N 3.14Å; D251-A254 PolarHBondContact O-N 3.1Å; D251-E255 PolarHBondContact O-N 3.05Å
252	D	37.8	Very low	34	Very low	100 Å²	100	121.4 Å²	121.4	54%	0.535	64%	0.636	S	S	.	*	H	α-helix	trans	-66	-25.3	176.7	-84.1	-14.8	0	0	0	112.8	S249 N256	S249-D252 PolarHBondContact O-N 3.19Å; D252-N256 WeakPolarHBondContact O-CB 3.47Å; D252-N256 PolarHBondContact O-N 3.4Å
253	F	32.8	Very low	34.1	Very low	156 Å²	156	114.6 Å²	114.6	68%	0.684	62%	0.622	S	S	*	*	H	α-helix	trans	-77.5	-35.3	178.4	-169	-94.9	0	0	0	112.3	A250 D251 N256 F257	A250-F253 PolarHBondContact O-N 3.41Å; D251-F253 PolarHBondContact O-N 3.14Å; F253-N256 PolarHBondContact O-N 3.37Å; F253-F257 WeakPolarHBondContact O-CB 3.38Å; F253-F257 PolarHBondContact O-N 2.94Å
254	A	34.4	Very low	34.2	Very low	59 Å²	59	112.8 Å²	112.8	49%	0.488	61%	0.608	S	S	.	*	H	α-helix	trans	-66.5	-44.6	177.8	0	0	0	0	0	111.4	D251 N256 F257 D258	D251-A254 PolarHBondContact O-N 3.1Å; A254-N256 VanDerWaalsContact C-N 3.3Å; A254-N256 PolarHBondContact O-N 3.21Å; A254-F257 PolarHBondContact O-N 2.95Å; A254-D258 PolarHBondContact O-N 3.38Å; A254-D258 VanDerWaalsContact O-N 3.12Å
255	E	38.3	Very low	34.1	Very low	139 Å²	139	110 Å²	110	65%	0.65	59%	0.594	S	S	*	*	H	α-helix	trans	-65.1	-33.7	176	-73.2	-163.9	162.7	0	0	112.5	D251 N259	D251-E255 PolarHBondContact O-N 3.05Å; E255-N259 WeakPolarHBondContact O-CB 3.4Å; E255-N259 PolarHBondContact O-N 3.28Å; E255-N259 VanDerWaalsContact O-N 3.07Å; E255-N259 PolarHBondContact O-ND2 2.96Å
256	N	40.5	Very low	34.1	Very low	111 Å²	111	106 Å²	106	59%	0.594	58%	0.582	S	S	*	*	H	α-helix	trans	-75.9	-30.4	178.8	-148.6	11	0	0	0	112.4	D252 F253 A254 Y260	D252-N256 WeakPolarHBondContact O-CB 3.47Å; D252-N256 PolarHBondContact O-N 3.4Å; F253-N256 PolarHBondContact O-N 3.37Å; A254-N256 VanDerWaalsContact C-N 3.3Å; A254-N256 PolarHBondContact O-N 3.21Å; N256-Y260 WeakPolarHBondContact O-CB 3.21Å; N256-Y260 PolarHBondContact O-N 3.46Å
257	F	34	Very low	34.1	Very low	80 Å²	80	110.3 Å²	110.3	35%	0.351	59%	0.585	S	S	.	*	H	α-helix	trans	-71.4	-41.2	174.8	-167.1	-100.7	0	0	0	112.2	F253 A254 Y260 L261	F253-F257 WeakPolarHBondContact O-CB 3.38Å; F253-F257 PolarHBondContact O-N 2.94Å; A254-F257 PolarHBondContact O-N 2.95Å; F257-Y260 PolarHBondContact O-N 2.87Å; F257-L261 HydrophobicContact CD1-CD1 3.73Å; F257-L261 HydrophobicContact CD1-CG 4.34Å; F257-L261 HydrophobicContact CE1-CD1 3.44Å; F257-L261 VanDerWaalsContact CE1-CD1 3.44Å; F257-L261 HydrophobicContact CE1-CG 4.09Å; F257-L261 HydrophobicContact CZ-CD1 4.27Å; F257-L261 PolarHBondContact O-N 3.49Å
258	D	35.7	Very low	33.8	Very low	105 Å²	105	108.2 Å²	108.2	56%	0.561	58%	0.581	S	S	*	*	H	α-helix	trans	-65.8	-38.5	172.9	-87.3	-17	0	0	0	111.6	A254 Y260 L261 T262	A254-D258 PolarHBondContact O-N 3.38Å; A254-D258 VanDerWaalsContact O-N 3.12Å; D258-Y260 PolarHBondContact O-N 3.23Å; D258-L261 PolarHBondContact O-N 2.92Å; D258-T262 VanDerWaalsContact O-CB 3.25Å; D258-T262 WeakPolarHBondContact O-CB 3.42Å; D258-T262 PolarHBondContact O-N 3.34Å; D258-T262 PolarHBondContact O-OG1 3.37Å
259	N	40.8	Very low	33.7	Very low	96 Å²	96	111 Å²	111	51%	0.513	59%	0.586	S	S	.	*	H	α-helix	trans	-64.4	-37.3	171.7	-87.4	-36.4	0	0	0	112.7	E255 T263	E255-N259 WeakPolarHBondContact O-CB 3.4Å; E255-N259 PolarHBondContact O-N 3.28Å; E255-N259 VanDerWaalsContact O-N 3.07Å; E255-N259 PolarHBondContact O-ND2 2.96Å; N259-T263 VanDerWaalsContact O-CB 3.28Å; N259-T263 WeakPolarHBondContact O-CB 3.22Å; N259-T263 PolarHBondContact O-N 3.46Å; N259-T263 PolarHBondContact O-OG1 2.89Å
260	Y	33	Very low	33.2	Very low	154 Å²	154	114.7 Å²	114.7	60%	0.604	61%	0.607	S	S	*	*	H	α-helix	trans	-66.4	-47.9	175	-175.2	-98.5	0	0	0	111.6	N256 F257 D258 T262 T263 C264	N256-Y260 WeakPolarHBondContact O-CB 3.21Å; N256-Y260 PolarHBondContact O-N 3.46Å; F257-Y260 PolarHBondContact O-N 2.87Å; D258-Y260 PolarHBondContact O-N 3.23Å; Y260-T262 VanDerWaalsContact C-N 3.33Å; Y260-T262 PolarHBondContact O-N 3.46Å; Y260-T263 PolarHBondContact O-N 3.37Å; Y260-C264 WeakPolarHBondContact O-CB 3.09Å; Y260-C264 PolarHBondContact O-N 3.38Å; Y260-C264 PolarHBondContact O-SG 3.44Å; Y260-C264 VanDerWaalsContact O-SG 3.34Å
261	L	33.1	Very low	32.7	Very low	80 Å²	80	121.7 Å²	121.7	42%	0.419	61%	0.614	S	S	.	*	H	α-helix	trans	-60.9	-41	174.5	-80.9	172.4	0	0	0	112.1	F257 D258 C264 M265	F257-L261 HydrophobicContact CD1-CD1 3.73Å; F257-L261 HydrophobicContact CD1-CG 4.34Å; F257-L261 HydrophobicContact CE1-CD1 3.44Å; F257-L261 VanDerWaalsContact CE1-CD1 3.44Å; F257-L261 HydrophobicContact CE1-CG 4.09Å; F257-L261 HydrophobicContact CZ-CD1 4.27Å; F257-L261 PolarHBondContact O-N 3.49Å; D258-L261 PolarHBondContact O-N 2.92Å; L261-C264 PolarHBondContact O-N 2.86Å; L261-M265 WeakPolarHBondContact O-CB 3.28Å; L261-M265 WeakPolarHBondContact O-CG 3.37Å; L261-M265 PolarHBondContact O-N 3.37Å
262	T	35.1	Very low	32.1	Very low	76 Å²	76	125.1 Å²	125.1	47%	0.466	62%	0.623	S	S	.	*	H	α-helix	trans	-65.2	-43.2	176.9	-53	0	0	0	0	110.7	D258 Y260 C264 M265 T266	D258-T262 VanDerWaalsContact O-CB 3.25Å; D258-T262 WeakPolarHBondContact O-CB 3.42Å; D258-T262 PolarHBondContact O-N 3.34Å; D258-T262 PolarHBondContact O-OG1 3.37Å; Y260-T262 VanDerWaalsContact C-N 3.33Å; Y260-T262 PolarHBondContact O-N 3.46Å; T262-C264 PolarHBondContact O-N 2.99Å; T262-M265 CarbonylContact O-C 3.57Å; T262-M265 PolarHBondContact O-N 2.89Å; T262-M265 VanDerWaalsContact O-N 3.14Å; T262-T266 HydrophobicContact CG2-CG2 4.22Å; T262-T266 WeakPolarHBondContact O-CB 3.42Å; T262-T266 WeakPolarHBondContact O-CG2 3.5Å; T262-T266 PolarHBondContact O-N 3.06Å; T262-T266 PolarHBondContact O-OG1 3.1Å
263	T	34	Very low	31.6	Very low	98 Å²	98	126.5 Å²	126.5	60%	0.601	64%	0.637	S	S	*	*	H	α-helix	trans	-64.4	-39	177.2	-56.6	0	0	0	0	112	N259 Y260 M265 T266	N259-T263 VanDerWaalsContact O-CB 3.28Å; N259-T263 WeakPolarHBondContact O-CB 3.22Å; N259-T263 PolarHBondContact O-N 3.46Å; N259-T263 PolarHBondContact O-OG1 2.89Å; Y260-T263 PolarHBondContact O-N 3.37Å; T263-M265 VanDerWaalsContact C-N 3.34Å; T263-T266 PolarHBondContact O-OG1 3.02Å
264	C	29.3	Very low	31.3	Very low	75 Å²	75	124.3 Å²	124.3	51%	0.507	64%	0.641	S	S	.	*	H	α-helix	trans	-71.4	-26.8	173.8	-68.8	0	0	0	0	113.1	Y260 L261 T262	Y260-C264 WeakPolarHBondContact O-CB 3.09Å; Y260-C264 PolarHBondContact O-N 3.38Å; Y260-C264 PolarHBondContact O-SG 3.44Å; Y260-C264 VanDerWaalsContact O-SG 3.34Å; L261-C264 PolarHBondContact O-N 2.86Å; T262-C264 PolarHBondContact O-N 2.99Å
265	M	29.1	Very low	30.8	Very low	121 Å²	121	128.7 Å²	128.7	60%	0.596	66%	0.656	S	S	*	*	H	α-helix	trans	-90	-23.8	-179.6	-71.8	-82.2	-96.1	0	0	113.5	L261 T262 T263 W267	L261-M265 WeakPolarHBondContact O-CB 3.28Å; L261-M265 WeakPolarHBondContact O-CG 3.37Å; L261-M265 PolarHBondContact O-N 3.37Å; T262-M265 CarbonylContact O-C 3.57Å; T262-M265 PolarHBondContact O-N 2.89Å; T262-M265 VanDerWaalsContact O-N 3.14Å; T263-M265 VanDerWaalsContact C-N 3.34Å; M265-W267 PolarHBondContact O-N 3.27Å
266	T	29.1	Very low	30.3	Very low	87 Å²	87	133.3 Å²	133.3	53%	0.534	67%	0.668	S	S	.	*	S	Bend	trans	-87.6	91.8	172.7	56.4	0	0	0	0	110.5	T262 T263	T262-T266 HydrophobicContact CG2-CG2 4.22Å; T262-T266 WeakPolarHBondContact O-CB 3.42Å; T262-T266 WeakPolarHBondContact O-CG2 3.5Å; T262-T266 PolarHBondContact O-N 3.06Å; T262-T266 PolarHBondContact O-OG1 3.1Å; T263-T266 PolarHBondContact O-OG1 3.02Å
267	W	28.9	Very low	29.8	Very low	207 Å²	207	132.8 Å²	132.8	78%	0.784	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-56.9	145.4	164.3	-82.8	61.4	0	0	0	110	M265 K269	M265-W267 PolarHBondContact O-N 3.27Å; W267-K269 PolarHBondContact O-N 3.27Å
268	P	26	Very low	29.4	Very low	110 Å²	110	134.2 Å²	134.2	71%	0.714	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-57.7	117.3	175.5	-10.7	22	0	0	0	107.9	T270	P268-T270 PolarHBondContact O-N 3.29Å
269	K	26.7	Very low	29	Very low	200 Å²	200	134.7 Å²	134.7	87%	0.87	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-48.5	117.1	165.7	-77.7	177.3	178.1	171	0	106.1	W267 R271	W267-K269 PolarHBondContact O-N 3.27Å; K269-R271 VanDerWaalsContact C-N 3.26Å; K269-R271 PolarHBondContact O-N 3.22Å
270	T	26.1	Very low	28.3	Very low	140 Å²	140	135.6 Å²	135.6	86%	0.859	72%	0.717	S	S	*	*			trans	-53	90.8	178.4	39	0	0	0	0	109.3	P268 K272	P268-T270 PolarHBondContact O-N 3.29Å; T270-K272 PolarHBondContact O-N 3.46Å; T270-K272 VanDerWaalsContact O-N 3.12Å
271	R	25.5	Very low	28.1	Very low	236 Å²	236	132.1 Å²	132.1	89%	0.891	73%	0.728	S	S	*	*			trans	-62.5	113.8	164.7	-86.5	-174.3	172	-178.3	-1	105.2	K269 P273	K269-R271 VanDerWaalsContact C-N 3.26Å; K269-R271 PolarHBondContact O-N 3.22Å; R271-P273 WeakPolarHBondContact O-CD 3.3Å; R271-P273 VanDerWaalsContact O-N 3.12Å
272	K	23.7	Very low	27.8	Very low	197 Å²	197	132.8 Å²	132.8	86%	0.857	75%	0.745	S	S	*	*			trans	-40.7	116.6	172.5	-71.8	175.8	175.7	176.5	0	109.1	T270 S274	T270-K272 PolarHBondContact O-N 3.46Å; T270-K272 VanDerWaalsContact O-N 3.12Å; K272-S274 PolarHBondContact O-N 3.48Å; K272-S274 VanDerWaalsContact O-N 3.11Å
273	P	26.5	Very low	27.7	Very low	130 Å²	130	134.2 Å²	134.2	84%	0.844	76%	0.755	S	S	*	*			trans	-77.5	104.1	170.7	22.1	-14.8	0	0	0	107.1	R271	R271-P273 WeakPolarHBondContact O-CD 3.3Å; R271-P273 VanDerWaalsContact O-N 3.12Å
274	S	27	Very low	27.3	Very low	110 Å²	110	137 Å²	137	77%	0.769	77%	0.766	S	S	*	*			trans	-63.1	134.2	165.6	59.8	0	0	0	0	109.7	K272 R276	K272-S274 PolarHBondContact O-N 3.48Å; K272-S274 VanDerWaalsContact O-N 3.11Å; S274-R276 PolarHBondContact O-N 2.79Å
275	N	24.7	Very low	27.1	Very low	150 Å²	150	140.2 Å²	140.2	80%	0.802	78%	0.784	S	S	*	*			trans	-8.2	117.9	158	-69	-22.9	0	0	0	115.7
276	R	27.5	Very low	27	Very low	236 Å²	236	141.5 Å²	141.5	89%	0.891	79%	0.792	S	S	*	*				160.9	131.1	116.5	-88.8	169.7	-180	-158.6	-0.6	112.3	S274	S274-R276 PolarHBondContact O-N 2.79Å
277	S	29.3	Very low	27	Very low	101 Å²	101	145.3 Å²	145.3	71%	0.706	81%	0.809	S	S	*	*			trans	65.1	106.8	141.4	61.9	0	0	0	0	121.5
278	S	27	Very low	27	Very low	109 Å²	109	142.6 Å²	142.6	76%	0.762	81%	0.81	S	S	*	*				80.5	116	108.8	-49.2	0	0	0	0	121.5
279	C	25.8	Very low	27.1	Very low	115 Å²	115	140.8 Å²	140.8	78%	0.777	81%	0.812	S	S	*	*				73.5	100.4	128.5	-75	0	0	0	0	121.2
280	S	26.9	Very low	27.1	Very low	116 Å²	116	143.6 Å²	143.6	81%	0.811	82%	0.817	S	S	*	*				51.7	119.9	109.7	71.8	0	0	0	0	120.4
281	G	28.1	Very low	27.1	Very low	80 Å²	80	140.6 Å²	140.6	83%	0.825	81%	0.814	S	S	*	*			trans	-148.6	113.8	150.5	0	0	0	0	0	109.9
282	A	27.7	Very low	27.1	Very low	94 Å²	94	133.1 Å²	133.1	78%	0.777	81%	0.81	S	S	*	*			trans	-83	-160.4	166.9	0	0	0	0	0	109.2
283	P	32.3	Very low	27.2	Very low	106 Å²	106	132.3 Å²	132.3	69%	0.688	81%	0.812	S	S	*	*			cis	-142	-171.9	-11.3	29.1	-3.9	0	0	0	113.9
284	L	27	Very low	27.1	Very low	157 Å²	157	134.3 Å²	134.3	82%	0.822	81%	0.807	S	S	*	*				148.8	121	124.8	-74.4	177.6	0	0	0	113.7
285	T	24.7	Very low	26.9	Very low	143 Å²	143	137 Å²	137	88%	0.877	81%	0.805	S	S	*	*			trans	-133.4	126.4	156.4	46.5	0	0	0	0	109.1
286	L	26.7	Very low	26.7	Very low	147 Å²	147	135 Å²	135	77%	0.77	80%	0.803	S	S	*	*			trans	-80.1	138.8	170.7	-95.8	110.4	0	0	0	110.6
287	N	29.1	Very low	26.5	Very low	168 Å²	168	130.1 Å²	130.1	90%	0.898	80%	0.803	S	S	*	*			trans	-146.3	126.3	140.9	-128.1	-6.8	0	0	0	110.2
288	N	28.3	Very low	26.2	Very low	149 Å²	149	130.3 Å²	130.3	80%	0.797	81%	0.805	S	S	*	*			trans	-81	139.1	179	-82.9	-27.3	0	0	0	110.4
289	G	28	Very low	26	Very low	73 Å²	73	130.8 Å²	130.8	75%	0.753	81%	0.808	S	S	*	*			trans	159.1	69	160.6	0	0	0	0	0	118.1
290	R	26.5	Very low	25.9	Very low	258 Å²	258	130.9 Å²	130.9	97%	0.974	81%	0.807	S	S	*	*			trans	52.6	120.2	147	-80.5	-177.4	171.3	-160.1	-2.1	120.9
291	G	27.6	Very low	25.7	Very low	78 Å²	78	130 Å²	130	80%	0.804	81%	0.807	S	S	*	*			trans	109.5	87.2	157.9	0	0	0	0	0	111.5
292	G	24.7	Very low	25.6	Very low	79 Å²	79	132.5 Å²	132.5	81%	0.814	81%	0.806	S	S	*	*				65.3	98.3	78.6	0	0	0	0	0	108.6
293	M	25.9	Very low	25.3	Very low	180 Å²	180	132.1 Å²	132.1	89%	0.887	80%	0.797	S	S	*	*				-161.7	134.1	58.9	-85.9	171.8	149.4	0	0	107.8
294	K	24.2	Very low	25	Very low	171 Å²	171	133 Å²	133	74%	0.743	80%	0.803	S	S	*	*				48.4	126.3	97.6	-76.9	-177.1	168.4	-175.1	0	113
295	F	22	Very low	24.9	Very low	168 Å²	168	135.9 Å²	135.9	74%	0.737	80%	0.803	S	S	*	*			cis	-168.1	172.3	11.5	-101.6	-67.8	0	0	0	107.5
296	S	22.4	Very low	24.9	Very low	106 Å²	106	138.3 Å²	138.3	74%	0.741	80%	0.802	S	S	*	*			trans	103.9	103.8	145.1	-55.5	0	0	0	0	117.2
297	C	21.4	Very low	24.7	Very low	134 Å²	134	135.2 Å²	135.2	91%	0.905	81%	0.805	S	S	*	*			trans	-61.6	127.5	159.8	-59.4	0	0	0	0	109.7
298	S	23.5	Very low	24.7	Very low	106 Å²	106	132.3 Å²	132.3	74%	0.741	80%	0.798	S	S	*	*			trans	-142.9	101.6	161.3	-55.9	0	0	0	0	107.5
299	S	23.6	Very low	24.5	Very low	118 Å²	118	131.7 Å²	131.7	83%	0.825	79%	0.794	S	S	*	*			trans	-60.4	141.1	158.3	-60.8	0	0	0	0	108.2
300	P	23.1	Very low	24.5	Very low	117 Å²	117	140.2 Å²	140.2	76%	0.76	80%	0.804	S	S	*	*			trans	-100.9	99.7	147	19.5	-2.8	0	0	0	107.4	V302	P300-V302 HydrophobicContact CB-CG2 4.46Å; P300-V302 PolarHBondContact O-N 3.37Å
301	A	23.2	Very low	24.4	Very low	97 Å²	97	138.8 Å²	138.8	80%	0.802	80%	0.798	S	S	*	*			trans	-57.9	121.5	146.5	0	0	0	0	0	107.6
302	V	24.7	Very low	24.3	Very low	134 Å²	134	138.6 Å²	138.6	81%	0.812	80%	0.796	S	S	*	*			trans	-135.2	125.5	159.1	-174.9	0	0	0	0	109.6	P300	P300-V302 HydrophobicContact CB-CG2 4.46Å; P300-V302 PolarHBondContact O-N 3.37Å
303	S	23.3	Very low	24.3	Very low	85 Å²	85	145.9 Å²	145.9	59%	0.594	80%	0.799	S	S	*	*			trans	-70.3	168.3	-163.7	74.3	0	0	0	0	116.1
304	P	24.9	Very low	24.3	Very low	125 Å²	125	143.4 Å²	143.4	81%	0.812	79%	0.789	S	S	*	*			trans	-81.8	118	176.6	32.9	-28.6	0	0	0	110.7
305	R	24.2	Very low	24.2	Very low	218 Å²	218	146 Å²	146	82%	0.823	79%	0.794	S	S	*	*			trans	-148.3	121.7	168.8	-80.4	-167.3	170.9	-176.2	-1.9	113.7
306	K	25.4	Very low	24.4	Very low	194 Å²	194	145 Å²	145	84%	0.843	80%	0.797	S	S	*	*			trans	58.7	104.8	138.1	-73	178.7	171	-179.3	0	119.5
307	G	22.9	Very low	24.4	Very low	82 Å²	82	145.5 Å²	145.5	85%	0.845	80%	0.799	S	S	*	*				58.3	116.7	111.2	0	0	0	0	0	120.8
308	S	28	Very low	24.4	Very low	106 Å²	106	149.5 Å²	149.5	74%	0.741	80%	0.797	S	S	*	*			trans	-161.1	104.3	134.6	52.7	0	0	0	0	108.1
309	L	24.6	Very low	24.3	Very low	137 Å²	137	154 Å²	154	72%	0.717	80%	0.803	S	S	*	*				52.1	91.9	88.5	-96.8	153.4	0	0	0	113.9	R311	L309-R311 HydrophobicContact CD2-CG 4.26Å
310	W	29.1	Very low	24.2	Very low	252 Å²	252	153.8 Å²	153.8	96%	0.955	80%	0.799	S	S	*	*			trans	-134.4	97.3	138.6	-77.2	95.3	0	0	0	109
311	R	24.1	Very low	24.2	Very low	227 Å²	227	153.5 Å²	153.5	86%	0.857	80%	0.797	S	S	*	*			trans	-80	148	160.3	-71.7	-170	-155.9	-104.5	6.9	108.6	L309	L309-R311 HydrophobicContact CD2-CG 4.26Å
312	G	25.6	Very low	24.2	Very low	74 Å²	74	155 Å²	155	76%	0.763	80%	0.797	S	S	*	*			trans	166.9	66.5	163	0	0	0	0	0	111.9
313	R	24.4	Very low	24.1	Very low	232 Å²	232	154.4 Å²	154.4	88%	0.875	80%	0.797	S	S	*	*				78.5	131	91	-121.7	-173.7	-174.6	177.9	0.1	115.3
314	N	25.9	Very low	24.1	Very low	128 Å²	128	155.5 Å²	155.5	68%	0.684	81%	0.805	S	S	*	*			trans	83	103	162.7	-64.9	-12.9	0	0	0	117.6
315	R	23	Very low	24.1	Very low	225 Å²	225	155.4 Å²	155.4	85%	0.849	80%	0.797	S	S	*	*				62.3	98.1	72	-69.1	-175.4	176.3	-177.1	-1.3	112.7
316	N	25.4	Very low	24.2	Very low	149 Å²	149	150.7 Å²	150.7	80%	0.797	79%	0.793	S	S	*	*				-174.8	131.3	109.3	-91.3	-11.2	0	0	0	111.3
317	C	21.5	Very low	24.3	Very low	116 Å²	116	145.4 Å²	145.4	78%	0.784	78%	0.78	S	S	*	*			trans	-70.5	129.2	174.6	-50.8	0	0	0	0	109.4
318	Y	22.1	Very low	24.4	Very low	218 Å²	218	145.2 Å²	145.2	86%	0.855	77%	0.771	S	S	*	*			trans	-141.1	112.3	149.6	-87.7	-82.4	0	0	0	106.9	P320	Y318-P320 WeakPolarHBondContact O-CD 3.47Å
319	F	21	Very low	24.3	Very low	199 Å²	199	143.7 Å²	143.7	87%	0.873	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-68.3	125.5	161.2	-85.3	-94.3	0	0	0	107.8
320	P	22.2	Very low	24.4	Very low	115 Å²	115	141.7 Å²	141.7	75%	0.747	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-86.6	126.9	151.1	15.2	2.1	0	0	0	108.2	Y318	Y318-P320 WeakPolarHBondContact O-CD 3.47Å
321	P	23.4	Very low	24.4	Very low	110 Å²	110	138 Å²	138	71%	0.714	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-70.7	159.6	169.6	32.8	-31.1	0	0	0	108.8
322	V	22.6	Very low	24.5	Very low	130 Å²	130	133.9 Å²	133.9	79%	0.788	73%	0.731	S	S	*	*			trans	77.2	82.6	166.8	-149.5	0	0	0	0	115.6
323	C	23.1	Very low	24.6	Very low	120 Å²	120	135.3 Å²	135.3	81%	0.811	72%	0.716	S	S	*	*			trans	-126.6	95.4	152.8	-84.3	0	0	0	0	109.6	D325	C323-D325 VanDerWaalsContact C-N 3.35Å; C323-D325 PolarHBondContact O-N 3.08Å
324	S	22.6	Very low	24.6	Very low	109 Å²	109	130.1 Å²	130.1	76%	0.762	71%	0.71	S	S	*	*			trans	-70.5	86.4	157.7	47.6	0	0	0	0	108.7
325	D	24.6	Very low	24.6	Very low	122 Å²	122	129.7 Å²	129.7	65%	0.652	72%	0.716	S	S	*	*			trans	-143.2	116.8	173.1	-92.1	-35	0	0	0	111.3	C323 S327	C323-D325 VanDerWaalsContact C-N 3.35Å; C323-D325 PolarHBondContact O-N 3.08Å; D325-S327 PolarHBondContact O-N 3.35Å
326	T	27.6	Very low	24.7	Very low	120 Å²	120	125 Å²	125	74%	0.736	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-70.2	22.7	178.2	40.1	0	0	0	0	114
327	S	26.2	Very low	24.7	Very low	82 Å²	82	120.5 Å²	120.5	57%	0.573	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-86.4	-11.1	-170.8	55.4	0	0	0	0	114.6	D325 C329	D325-S327 PolarHBondContact O-N 3.35Å; S327-C329 VanDerWaalsContact C-N 3.31Å; S327-C329 PolarHBondContact O-N 3Å
328	A	24.9	Very low	24.9	Very low	79 Å²	79	120.2 Å²	120.2	65%	0.653	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-83	-2.7	177.3	0	0	0	0	0	114.2
329	C	26.3	Very low	25	Very low	73 Å²	73	113.9 Å²	113.9	49%	0.493	70%	0.702	S	S	.	*	G	3₁₀ helix	trans	-92.4	-5.8	176.3	-65.5	0	0	0	0	113.3	S327	S327-C329 VanDerWaalsContact C-N 3.31Å; S327-C329 PolarHBondContact O-N 3Å
330	D	27.8	Very low	25.1	Very low	96 Å²	96	111.6 Å²	111.6	51%	0.513	70%	0.699	S	S	.	*	G	3₁₀ helix	trans	-90.8	-9.9	-173.9	-68.5	-22	0	0	0	113.5	R157 F332	R157-D330 IonicContact NH2-OD1 3.29Å; R157-D330 PolarHBondContact NH2-OD1 3.39Å; D330-F332 VanDerWaalsContact C-N 3.29Å; D330-F332 PolarHBondContact O-N 2.59Å
331	E	28.3	Very low	25.2	Very low	173 Å²	173	113.1 Å²	113.1	81%	0.808	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-78.8	-5.8	173.7	-71.4	-172.2	161.8	0	0	114.2
332	F	26.8	Very low	25.3	Very low	141 Å²	141	114.9 Å²	114.9	62%	0.618	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-91.4	0.5	175.8	-80	-87.2	0	0	0	114	D330	D330-F332 VanDerWaalsContact C-N 3.29Å; D330-F332 PolarHBondContact O-N 2.59Å
333	F	27.4	Very low	25.4	Very low	104 Å²	104	116.7 Å²	116.7	46%	0.456	71%	0.706	S	S	.	*			trans	-123	60.6	-173.3	-67.9	-83.5	0	0	0	112	L161	L161-F333 HydrophobicContact CD2-CE1 3.93Å; L161-F333 HydrophobicContact CD2-CZ 4.38Å
334	V	24.5	Very low	25.4	Very low	123 Å²	123	115.7 Å²	115.7	75%	0.745	70%	0.701	S	S	*	*			trans	-92.8	101.7	162.5	-177.4	0	0	0	0	107.8
335	C	24.9	Very low	25.4	Very low	119 Å²	119	118.2 Å²	118.2	80%	0.804	71%	0.706	S	S	*	*			trans	-71.3	123.9	156.1	-80.1	0	0	0	0	107.4	G337	C335-G337 PolarHBondContact O-N 3.08Å
336	P	24.7	Very low	25.4	Very low	128 Å²	128	119.1 Å²	119.1	83%	0.831	71%	0.711	S	S	*	*	S	Bend	trans	-69.7	125.8	169.8	28.6	-28.8	0	0	0	108.5
337	G	25.7	Very low	25.3	Very low	54 Å²	54	120.6 Å²	120.6	56%	0.557	71%	0.713	S	S	*	*			trans	123.7	23.7	158.2	0	0	0	0	0	120.2	C335	C335-G337 PolarHBondContact O-N 3.08Å
338	A	25.5	Very low	25.2	Very low	110 Å²	110	121 Å²	121	91%	0.909	71%	0.714	S	S	*	*			trans	-113.1	77.5	164.3	0	0	0	0	0	110
339	A	24.5	Very low	25.2	Very low	84 Å²	84	125.2 Å²	125.2	69%	0.694	73%	0.725	S	S	*	*			trans	-122.1	121.8	169.8	0	0	0	0	0	108.7
340	D	24.4	Very low	25.2	Very low	152 Å²	152	128.5 Å²	128.5	81%	0.813	74%	0.736	S	S	*	*			trans	52.4	81.1	156.8	-61.3	-20.2	0	0	0	119.3
341	L	24.6	Very low	25.1	Very low	146 Å²	146	129.7 Å²	129.7	76%	0.764	75%	0.746	S	S	*	*			trans	-140.5	88.2	147.7	-75.2	174.8	0	0	0	109.7	F343	L341-F343 HydrophobicContact CB-CD2 4.16Å; L341-F343 HydrophobicContact CB-CE2 3.86Å; L341-F343 HydrophobicContact CD1-CE2 4.01Å; L341-F343 HydrophobicContact CG-CE2 4.35Å; L341-F343 PolarHBondContact O-N 2.8Å
342	T	23.6	Very low	25	Very low	147 Å²	147	128.1 Å²	128.1	90%	0.902	74%	0.739	S	S	*	*			trans	-69.8	103.4	161.8	46.6	0	0	0	0	108.6
343	F	24.6	Very low	25	Very low	168 Å²	168	127.2 Å²	127.2	74%	0.737	75%	0.747	S	S	*	*			trans	-87.7	136.8	163.8	-78.1	-80.2	0	0	0	109.8	L341	L341-F343 HydrophobicContact CB-CD2 4.16Å; L341-F343 HydrophobicContact CB-CE2 3.86Å; L341-F343 HydrophobicContact CD1-CE2 4.01Å; L341-F343 HydrophobicContact CG-CE2 4.35Å; L341-F343 PolarHBondContact O-N 2.8Å
344	S	23.6	Very low	24.9	Very low	100 Å²	100	127.6 Å²	127.6	70%	0.699	76%	0.758	S	S	*	*			trans	-66.9	139.2	-179	62.1	0	0	0	0	111.4	N346	S344-N346 PolarHBondContact O-N 2.91Å
345	N	23.5	Very low	25	Very low	161 Å²	161	126.5 Å²	126.5	86%	0.861	76%	0.762	S	S	*	*	S	Bend	trans	-73	48.4	179.8	-79.1	-24.4	0	0	0	113.7
346	N	24.3	Very low	25.3	Very low	141 Å²	141	124.6 Å²	124.6	75%	0.754	74%	0.744	S	S	*	*			trans	-120.2	81.3	173.5	-70.3	-4.8	0	0	0	109.3	S344 P348	S344-N346 PolarHBondContact O-N 2.91Å; N346-P348 WeakPolarHBondContact O-CD 3.36Å
347	I	25.8	Very low	25.6	Very low	152 Å²	152	121.4 Å²	121.4	78%	0.779	72%	0.723	S	S	*	*			trans	-80.8	117.6	163.6	-63.7	173.1	0	0	0	106.4
348	P	23.2	Very low	25.9	Very low	91 Å²	91	123.7 Å²	123.7	59%	0.591	73%	0.726	S	S	*	*			trans	-71	140.4	170.5	20	-12.6	0	0	0	109.2	N346 I350	N346-P348 WeakPolarHBondContact O-CD 3.36Å; P348-I350 VanDerWaalsContact C-N 3.33Å; P348-I350 PolarHBondContact O-N 3.41Å
349	D	24.8	Very low	26.2	Very low	167 Å²	167	122 Å²	122	89%	0.893	71%	0.708	S	S	*	*			trans	-56.8	91.6	169.9	-78	-39.9	0	0	0	110	V351	D349-V351 PolarHBondContact O-N 3.49Å
350	I	26.7	Very low	26.5	Very low	142 Å²	142	121.4 Å²	121.4	73%	0.728	69%	0.692	S	S	*	*			trans	-89.5	101	170.6	-60.8	177.1	0	0	0	107.6	P348 E352	P348-I350 VanDerWaalsContact C-N 3.33Å; P348-I350 PolarHBondContact O-N 3.41Å; I350-E352 PolarHBondContact O-N 2.9Å
351	V	25.7	Very low	26.9	Very low	120 Å²	120	115.2 Å²	115.2	73%	0.727	66%	0.658	S	S	*	*			trans	-43.8	123.7	166.3	178.3	0	0	0	0	111.2	D349	D349-V351 PolarHBondContact O-N 3.49Å
352	E	25.9	Very low	27.3	Very low	140 Å²	140	115.5 Å²	115.5	65%	0.654	65%	0.653	S	S	*	*			trans	48.5	118.7	162.5	-65.2	-172.7	153.7	0	0	120	I350 T354	I350-E352 PolarHBondContact O-N 2.9Å; E352-T354 HydrophobicContact CB-CG2 4.13Å; E352-T354 PolarHBondContact O-N 3.39Å
353	P	27.2	Very low	27.8	Very low	122 Å²	122	114 Å²	114	79%	0.792	64%	0.636	S	S	*	*			trans	-77.5	71.2	162.9	34.3	-30.4	0	0	0	109.1	A355	P353-A355 PolarHBondContact O-N 3.09Å
354	T	25.3	Very low	28.2	Very low	112 Å²	112	107.9 Å²	107.9	69%	0.687	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	123.4	170.1	39.7	0	0	0	0	109.2	E352	E352-T354 HydrophobicContact CB-CG2 4.13Å; E352-T354 PolarHBondContact O-N 3.39Å
355	A	27	Very low	28.6	Very low	100 Å²	100	104.9 Å²	104.9	83%	0.826	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.7	56.7	170.7	0	0	0	0	0	118.5	P353	P353-A355 PolarHBondContact O-N 3.09Å
356	L	31.8	Very low	29	Very low	79 Å²	79	100.1 Å²	100.1	41%	0.414	56%	0.563	S	S	.	*			trans	-82.2	131.9	146.7	-87.6	149.4	0	0	0	108.6	T358	L356-T358 VanDerWaalsContact C-N 3.29Å; L356-T358 PolarHBondContact O-N 3.48Å
357	P	30.2	Very low	29.5	Very low	61 Å²	61	97 Å²	97	40%	0.396	55%	0.546	S	S	.	.			trans	-68.8	91.6	174	-3.8	18	0	0	0	108.6	S359 I360	P357-S359 PolarHBondContact O-N 2.99Å; P357-S359 VanDerWaalsContact O-N 3.09Å; P357-I360 HydrophobicContact CB-CD1 4.08Å; P357-I360 HydrophobicContact CB-CG1 4.21Å; P357-I360 HydrophobicContact CG-CD1 4.17Å; P357-I360 PolarHBondContact O-N 3.3Å
358	T	31.3	Very low	29.9	Very low	102 Å²	102	93 Å²	93	63%	0.626	53%	0.526	S	S	*	.	H	α-helix	trans	-58	-17.5	171.8	46.3	0	0	0	0	111.9	L356 K362	L356-T358 VanDerWaalsContact C-N 3.29Å; L356-T358 PolarHBondContact O-N 3.48Å; T358-K362 VanDerWaalsContact O-CB 3.29Å; T358-K362 WeakPolarHBondContact O-CB 3.47Å; T358-K362 WeakPolarHBondContact O-CG 3.19Å; T358-K362 PolarHBondContact O-N 2.98Å
359	S	31.5	Very low	30.2	Very low	76 Å²	76	92.2 Å²	92.2	53%	0.531	52%	0.515	S	S	.	.	H	α-helix	trans	-63	-47.8	173.8	53.8	0	0	0	0	113.2	P357 F361 K362 E363	P357-S359 PolarHBondContact O-N 2.99Å; P357-S359 VanDerWaalsContact O-N 3.09Å; S359-F361 VanDerWaalsContact C-N 3.29Å; S359-F361 PolarHBondContact O-N 3.35Å; S359-K362 PolarHBondContact O-N 3.33Å; S359-E363 WeakPolarHBondContact O-CB 3.13Å; S359-E363 PolarHBondContact O-N 3.46Å
360	I	31.9	Very low	30.6	Very low	71 Å²	71	94.3 Å²	94.3	36%	0.364	51%	0.51	S	S	.	.	H	α-helix	trans	-67.8	-35.1	-177.8	-60	174.1	0	0	0	110.5	P357 W364	P357-I360 HydrophobicContact CB-CD1 4.08Å; P357-I360 HydrophobicContact CB-CG1 4.21Å; P357-I360 HydrophobicContact CG-CD1 4.17Å; P357-I360 PolarHBondContact O-N 3.3Å; I360-W364 WeakPolarHBondContact O-CB 3.31Å; I360-W364 PolarHBondContact O-N 2.96Å
361	F	32.1	Very low	30.6	Very low	22 Å²	22	92.7 Å²	92.7	10%	0.096	51%	0.511	C	S	.	.	H	α-helix	trans	-76	-34.5	175.3	-86.9	-82.1	0	0	0	113.2	S359 E363 W364 L365 L403 M480	S359-F361 VanDerWaalsContact C-N 3.29Å; S359-F361 PolarHBondContact O-N 3.35Å; F361-E363 VanDerWaalsContact C-N 3.35Å; F361-W364 PolarHBondContact O-N 3.49Å; F361-L365 WeakPolarHBondContact O-CB 3.48Å; F361-L365 WeakPolarHBondContact O-CD1 3.48Å; F361-L365 VanDerWaalsContact O-CG 3.25Å; F361-L365 WeakPolarHBondContact O-CG 3.35Å; F361-L365 PolarHBondContact O-N 2.9Å; F361-L403 HydrophobicContact CE1-CD2 3.86Å; F361-L403 HydrophobicContact CE2-CD2 4.35Å; F361-L403 HydrophobicContact CZ-CD2 3.51Å; F361-M480 HydrophobicContact CB-CE 3.7Å; F361-M480 HydrophobicContact CD1-CE 3.2Å; F361-M480 HydrophobicContact CD2-CE 3.95Å; F361-M480 HydrophobicContact CE1-CE 3.64Å; F361-M480 HydrophobicContact CE1-CG 4.44Å; F361-M480 HydrophobicContact CE2-CE 4.33Å; F361-M480 HydrophobicContact CG-CE 3.34Å; F361-M480 HydrophobicContact CZ-CE 4.18Å
362	K	33.7	Very low	30.8	Very low	152 Å²	152	89.9 Å²	89.9	66%	0.661	50%	0.501	S	S	*	.	H	α-helix	trans	-62.7	-42.3	170.4	-92	-176.6	172.8	-178.1	0	111.3	T358 S359 L365 S366	T358-K362 VanDerWaalsContact O-CB 3.29Å; T358-K362 WeakPolarHBondContact O-CB 3.47Å; T358-K362 WeakPolarHBondContact O-CG 3.19Å; T358-K362 PolarHBondContact O-N 2.98Å; S359-K362 PolarHBondContact O-N 3.33Å; K362-L365 PolarHBondContact O-N 3.19Å; K362-S366 PolarHBondContact O-N 3.11Å; K362-S366 PolarHBondContact O-OG 3.36Å; K362-S366 VanDerWaalsContact O-OG 3.08Å
363	E	33	Very low	30.9	Very low	116 Å²	116	91.8 Å²	91.8	54%	0.542	51%	0.514	S	S	.	.	H	α-helix	trans	-64.3	-41.1	177.3	-149.9	173.2	-155.9	0	0	111.3	S359 F361 S366 I367	S359-E363 WeakPolarHBondContact O-CB 3.13Å; S359-E363 PolarHBondContact O-N 3.46Å; F361-E363 VanDerWaalsContact C-N 3.35Å; E363-S366 VanDerWaalsContact C-OG 3.32Å; E363-S366 VanDerWaalsContact CA-OG 3.26Å; E363-S366 WeakPolarHBondContact CA-OG 3.48Å; E363-S366 PolarHBondContact O-N 3.27Å; E363-S366 PolarHBondContact O-OG 2.91Å; E363-I367 WeakPolarHBondContact O-CD1 3.45Å; E363-I367 WeakPolarHBondContact O-CG1 3.46Å; E363-I367 PolarHBondContact O-N 3.32Å; E363-I367 VanDerWaalsContact O-N 3.09Å
364	W	34	Very low	31	Very low	39 Å²	39	94.9 Å²	94.9	15%	0.148	52%	0.518	C	S	.	.	H	α-helix	trans	-68	-32.8	174.4	-171.8	79.2	0	0	0	113.7	I360 F361 N368 Y483	I360-W364 WeakPolarHBondContact O-CB 3.31Å; I360-W364 PolarHBondContact O-N 2.96Å; F361-W364 PolarHBondContact O-N 3.49Å; W364-N368 PolarHBondContact O-ND2 3.48Å; W364-Y483 HydrophobicContact CH2-CD2 4.01Å; W364-Y483 AromaticContact CH2-CE2 3.62Å; W364-Y483 HydrophobicContact CH2-CE2 3.62Å; W364-Y483 AromaticContact CH2-CZ 3.92Å; W364-Y483 HydrophobicContact CZ3-CE2 4.37Å
365	L	32.9	Very low	31.1	Very low	36 Å²	36	98.3 Å²	98.3	19%	0.188	53%	0.527	C	S	.	.	H	α-helix	trans	-76.5	-34.5	174.6	-74.5	159.9	0	0	0	112.2	F361 K362 I367 N368 E369 T476	F361-L365 WeakPolarHBondContact O-CB 3.48Å; F361-L365 WeakPolarHBondContact O-CD1 3.48Å; F361-L365 VanDerWaalsContact O-CG 3.25Å; F361-L365 WeakPolarHBondContact O-CG 3.35Å; F361-L365 PolarHBondContact O-N 2.9Å; K362-L365 PolarHBondContact O-N 3.19Å; L365-I367 VanDerWaalsContact C-N 3.35Å; L365-N368 CarbonylContact O-C 3.55Å; L365-N368 PolarHBondContact O-N 2.86Å; L365-E369 PolarHBondContact O-N 3.48Å; L365-T476 HydrophobicContact CD1-CG2 3.37Å; L365-T476 HydrophobicContact CD2-CG2 4.33Å; L365-T476 HydrophobicContact CG-CG2 4.49Å
366	S	31.8	Very low	31.1	Very low	62 Å²	62	99 Å²	99	43%	0.434	52%	0.523	S	S	.	.	H	α-helix	trans	-68.9	-30.7	173.7	51.2	0	0	0	0	112.9	K362 E363 N368 E369	K362-S366 PolarHBondContact O-N 3.11Å; K362-S366 PolarHBondContact O-OG 3.36Å; K362-S366 VanDerWaalsContact O-OG 3.08Å; E363-S366 VanDerWaalsContact C-OG 3.32Å; E363-S366 VanDerWaalsContact CA-OG 3.26Å; E363-S366 WeakPolarHBondContact CA-OG 3.48Å; E363-S366 PolarHBondContact O-N 3.27Å; E363-S366 PolarHBondContact O-OG 2.91Å; S366-N368 PolarHBondContact O-N 3.19Å; S366-E369 PolarHBondContact O-N 3.02Å
367	I	34.7	Very low	31	Very low	74 Å²	74	101.2 Å²	101.2	38%	0.379	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-19.4	173.4	-66.4	161.8	0	0	0	111.6	E363 L365 L392	E363-I367 WeakPolarHBondContact O-CD1 3.45Å; E363-I367 WeakPolarHBondContact O-CG1 3.46Å; E363-I367 PolarHBondContact O-N 3.32Å; E363-I367 VanDerWaalsContact O-N 3.09Å; L365-I367 VanDerWaalsContact C-N 3.35Å; I367-L392 HydrophobicContact CG2-CD2 4.25Å
368	N	33.7	Very low	30.8	Very low	68 Å²	68	106.1 Å²	106.1	36%	0.364	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.1	10.2	178.6	-74.6	-52.6	0	0	0	113.5	W364 L365 S366 W370	W364-N368 PolarHBondContact O-ND2 3.48Å; L365-N368 CarbonylContact O-C 3.55Å; L365-N368 PolarHBondContact O-N 2.86Å; S366-N368 PolarHBondContact O-N 3.19Å; N368-W370 PolarHBondContact O-N 2.97Å
369	E	29.9	Very low	30.6	Very low	76 Å²	76	108.8 Å²	108.8	36%	0.355	57%	0.572	S	S	.	*			trans	-76	76.2	168.8	-76.7	-178.8	170.6	0	0	109.7	L365 S366 S371 A372 R472	L365-E369 PolarHBondContact O-N 3.48Å; S366-E369 PolarHBondContact O-N 3.02Å; E369-S371 PolarHBondContact O-N 3.46Å; E369-A372 HydrophobicContact CB-CB 4.21Å; E369-A372 PolarHBondContact O-N 2.95Å; E369-R472 IonicContact OE1-CZ 3.35Å; E369-R472 IonicContact OE1-NH1 3.45Å; E369-R472 IonicContact OE1-NH2 2.82Å; E369-R472 PolarHBondContact OE1-NH2 3.42Å
370	W	31.7	Very low	30.4	Very low	211 Å²	211	116.7 Å²	116.7	80%	0.799	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	12.1	164.3	-72.1	76.8	0	0	0	113.1	N368 M388	N368-W370 PolarHBondContact O-N 2.97Å; W370-M388 HydrophobicContact CH2-CE 4.13Å; W370-M388 HydrophobicContact CZ2-CE 3.8Å
371	S	28.1	Very low	30.1	Very low	108 Å²	108	119.6 Å²	119.6	76%	0.755	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128	11.8	-171.4	55.7	0	0	0	0	113.2	E369	E369-S371 PolarHBondContact O-N 3.46Å
372	A	29.7	Very low	29.9	Very low	61 Å²	61	124.1 Å²	124.1	50%	0.504	63%	0.634	S	S	.	*			trans	-117.1	8.9	179.2	0	0	0	0	0	114	E369 E374	E369-A372 HydrophobicContact CB-CB 4.21Å; E369-A372 PolarHBondContact O-N 2.95Å; A372-E374 PolarHBondContact O-N 3.36Å
373	L	27.1	Very low	29.7	Very low	179 Å²	179	122.5 Å²	122.5	94%	0.937	63%	0.632	S	S	*	*	S	Bend	trans	-78.8	96.7	156.2	-105.7	99.1	0	0	0	107.5
374	E	30.1	Very low	29.3	Very low	187 Å²	187	124.5 Å²	124.5	87%	0.874	64%	0.644	S	S	*	*			trans	-53.8	147.7	169.7	-66.2	174.1	149.5	0	0	111.4	A372	A372-E374 PolarHBondContact O-N 3.36Å
375	E	27	Very low	28.9	Very low	185 Å²	185	126.8 Å²	126.8	86%	0.864	67%	0.671	S	S	*	*	S	Bend	trans	-46.5	177.2	178.7	-59.7	177	131.6	0	0	116.1
376	P	27.5	Very low	28.7	Very low	114 Å²	114	128 Å²	128	74%	0.74	68%	0.68	S	S	*	*				-126.5	122.9	-50.2	32.7	-16	0	0	0	109.7
377	T	28.9	Very low	28.7	Very low	125 Å²	125	130.1 Å²	130.1	77%	0.767	69%	0.69	S	S	*	*	S	Bend	trans	-131.6	97.7	171.1	7.9	0	0	0	0	109	L379	T377-L379 VanDerWaalsContact C-N 3.34Å; T377-L379 PolarHBondContact O-N 3.12Å
378	D	25.7	Very low	28.9	Very low	164 Å²	164	129.2 Å²	129.2	88%	0.877	69%	0.685	S	S	*	*			trans	28.6	57.1	158	-71.5	-33.6	0	0	0	117	R380	D378-R380 PolarHBondContact O-N 3.45Å
379	L	27.7	Very low	29	Very low	159 Å²	159	129.7 Å²	129.7	83%	0.832	69%	0.692	S	S	*	*			trans	-78.5	66.2	175.2	-76	161.4	0	0	0	110.6	T377	T377-L379 VanDerWaalsContact C-N 3.34Å; T377-L379 PolarHBondContact O-N 3.12Å
380	R	26.3	Very low	29.4	Very low	241 Å²	241	130 Å²	130	91%	0.909	70%	0.699	S	S	*	*			trans	-97.5	4.2	167.8	-109.7	-173.7	-178.1	-168.8	2.2	113.3	D378	D378-R380 PolarHBondContact O-N 3.45Å
381	E	26	Very low	29.4	Very low	133 Å²	133	122.6 Å²	122.6	62%	0.621	69%	0.687	S	S	*	*			trans	-104.6	115.9	179.3	-68.7	-169.4	168.7	0	0	112.2	N383	E381-N383 PolarHBondContact O-N 3.2Å
382	P	28.7	Very low	30	Very low	116 Å²	116	120.3 Å²	120.3	75%	0.753	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	14.4	-178.3	31.8	-34.9	0	0	0	114.1
383	N	28.5	Very low	30.8	Very low	119 Å²	119	119 Å²	119	64%	0.636	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	2.9	-163	-68.9	-13.8	0	0	0	115.6	E381 T386	E381-N383 PolarHBondContact O-N 3.2Å; N383-T386 PolarHBondContact O-OG1 3.49Å
384	M	24.7	Very low	31.7	Very low	158 Å²	158	115 Å²	115	78%	0.778	62%	0.621	S	S	*	*	S	Bend	trans	-105.7	-1	-177.6	-70.6	-156.8	179	0	0	116.1	T386	M384-T386 VanDerWaalsContact C-N 3.32Å; M384-T386 PolarHBondContact O-N 3.32Å
385	A	25.9	Very low	32.5	Very low	87 Å²	87	107.9 Å²	107.9	72%	0.719	59%	0.592	S	S	*	*	S	Bend	trans	-90.3	14.6	178.2	0	0	0	0	0	114.2	R138	R138-A385 PolarHBondContact NH1-O 2.99Å
386	T	29.9	Very low	33.4	Very low	61 Å²	61	100.6 Å²	100.6	37%	0.374	56%	0.56	S	S	.	*	S	Bend	trans	-110.7	-1.1	-156.6	30.8	0	0	0	0	116.4	N383 M384	N383-T386 PolarHBondContact O-OG1 3.49Å; M384-T386 VanDerWaalsContact C-N 3.32Å; M384-T386 PolarHBondContact O-N 3.32Å
387	T	31.6	Very low	34.5	Very low	107 Å²	107	95.8 Å²	95.8	66%	0.656	53%	0.527	S	S	*	.			trans	-145.9	104.6	173.5	46.1	0	0	0	0	109.8	P389	T387-P389 VanDerWaalsContact O-CD 3.25Å; T387-P389 WeakPolarHBondContact O-CD 3.42Å; T387-P389 VanDerWaalsContact O-N 3.15Å
388	M	37.8	Very low	35.5	Very low	55 Å²	55	93.5 Å²	93.5	27%	0.271	51%	0.51	S	S	.	.			trans	-54.2	120.3	157.7	-91.6	-102.4	117.7	0	0	107	W370 V390 L392 R393	W370-M388 HydrophobicContact CH2-CE 4.13Å; W370-M388 HydrophobicContact CZ2-CE 3.8Å; M388-V390 PolarHBondContact O-N 3.36Å; M388-L392 HydrophobicContact CE-CB 4.26Å; M388-L392 HydrophobicContact CE-CD1 3.93Å; M388-L392 HydrophobicContact CE-CD2 4.29Å; M388-L392 HydrophobicContact CE-CG 4.39Å; M388-L392 HydrophobicContact SD-CB 3.76Å; M388-L392 HydrophobicContact SD-CG 4.49Å; M388-R393 HydrophobicContact CB-CG 3.9Å
389	P	36.9	Very low	36.5	Very low	78 Å²	78	86.9 Å²	86.9	51%	0.506	48%	0.476	S	S	.	.			trans	-51.1	138.8	175.8	-25.7	33.1	0	0	0	109.5	T387 G391 L392 R393	T387-P389 VanDerWaalsContact O-CD 3.25Å; T387-P389 WeakPolarHBondContact O-CD 3.42Å; T387-P389 VanDerWaalsContact O-N 3.15Å; P389-G391 PolarHBondContact O-N 3.08Å; P389-L392 HydrophobicContact CB-CD1 4.48Å; P389-L392 HydrophobicContact CG-CD1 3.93Å; P389-L392 WeakPolarHBondContact O-CA 3.37Å; P389-L392 WeakPolarHBondContact O-CB 3.21Å; P389-L392 PolarHBondContact O-N 3.31Å; P389-R393 PolarHBondContact O-N 3.27Å; P389-R393 VanDerWaalsContact O-N 3.16Å
390	V	37.3	Very low	37.5	Very low	83 Å²	83	80.9 Å²	80.9	50%	0.503	45%	0.445	S	S	.	.	H	α-helix	trans	-49.5	-33.3	180	178.1	0	0	0	0	111.3	M388 R393 R394	M388-V390 PolarHBondContact O-N 3.36Å; V390-R393 PolarHBondContact O-N 3.21Å; V390-R394 PolarHBondContact O-N 2.89Å
391	G	31.9	Very low	38.7	Very low	54 Å²	54	73.7 Å²	73.7	56%	0.557	42%	0.422	S	S	*	.	H	α-helix	trans	-62.3	-39.4	173.4	0	0	0	0	0	115	P389 R394 S395	P389-G391 PolarHBondContact O-N 3.08Å; G391-R394 PolarHBondContact O-N 3.37Å; G391-S395 WeakPolarHBondContact O-CB 3.35Å; G391-S395 PolarHBondContact O-N 2.82Å
392	L	41.9	Very low	39.7	Very low	60 Å²	60	74.2 Å²	74.2	31%	0.314	42%	0.418	S	S	.	.	H	α-helix	trans	-72	-36.6	175.8	-94	154.9	0	0	0	111.8	I367 M388 P389 R394 S395 V396	I367-L392 HydrophobicContact CG2-CD2 4.25Å; M388-L392 HydrophobicContact CE-CB 4.26Å; M388-L392 HydrophobicContact CE-CD1 3.93Å; M388-L392 HydrophobicContact CE-CD2 4.29Å; M388-L392 HydrophobicContact CE-CG 4.39Å; M388-L392 HydrophobicContact SD-CB 3.76Å; M388-L392 HydrophobicContact SD-CG 4.49Å; P389-L392 HydrophobicContact CB-CD1 4.48Å; P389-L392 HydrophobicContact CG-CD1 3.93Å; P389-L392 WeakPolarHBondContact O-CA 3.37Å; P389-L392 WeakPolarHBondContact O-CB 3.21Å; P389-L392 PolarHBondContact O-N 3.31Å; L392-R394 VanDerWaalsContact C-N 3.32Å; L392-R394 PolarHBondContact O-N 3.04Å; L392-S395 WeakPolarHBondContact CA-OG 3.39Å; L392-S395 PolarHBondContact O-N 3.08Å; L392-S395 PolarHBondContact O-OG 3.36Å; L392-V396 WeakPolarHBondContact O-CB 3.36Å; L392-V396 VanDerWaalsContact O-CG2 3.23Å; L392-V396 WeakPolarHBondContact O-CG2 3.28Å; L392-V396 PolarHBondContact O-N 3Å
393	R	46.4	Very low	40.4	Very low	35 Å²	35	70.2 Å²	70.2	13%	0.132	39%	0.39	C	S	.	.	H	α-helix	trans	-61.1	-43.7	172.8	-66.1	-177.2	176.7	171.5	-2.5	111.2	E134 L177 M388 P389 V390 W397	E134-R393 IonicContact OE1-NH2 3.82Å; L177-R393 HydrophobicContact CD2-CB 4.43Å; L177-R393 HydrophobicContact CD2-CG 4.11Å; M388-R393 HydrophobicContact CB-CG 3.9Å; P389-R393 PolarHBondContact O-N 3.27Å; P389-R393 VanDerWaalsContact O-N 3.16Å; V390-R393 PolarHBondContact O-N 3.21Å; R393-W397 WeakPolarHBondContact O-CB 3.49Å; R393-W397 PolarHBondContact O-N 3.33Å
394	R	45.2	Very low	41.3	Very low	93 Å²	93	67.6 Å²	67.6	35%	0.351	37%	0.371	S	S	.	.	H	α-helix	trans	-68.6	-38.1	178.1	-157.4	173.2	-162.1	-172.7	3.7	112.6	D185 K188 V390 G391 L392 W397 L398	D185-R394 IonicContact OD1-CZ 3.84Å; D185-R394 IonicContact OD1-NH2 2.85Å; D185-R394 PolarHBondContact OD1-NH2 2.93Å; K188-R394 VanDerWaalsContact NZ-CZ 3.31Å; V390-R394 PolarHBondContact O-N 2.89Å; G391-R394 PolarHBondContact O-N 3.37Å; L392-R394 VanDerWaalsContact C-N 3.32Å; L392-R394 PolarHBondContact O-N 3.04Å; R394-W397 PolarHBondContact O-N 3.15Å; R394-L398 HydrophobicContact CG-CD1 4.19Å; R394-L398 WeakPolarHBondContact O-CB 3.4Å; R394-L398 VanDerWaalsContact O-CG 3.24Å; R394-L398 WeakPolarHBondContact O-CG 3.47Å; R394-L398 PolarHBondContact O-N 2.88Å
395	S	46.3	Very low	42.2	Very low	39 Å²	39	63 Å²	63	27%	0.273	36%	0.355	S	S	.	.	H	α-helix	trans	-68.7	-38.7	177.6	73.1	0	0	0	0	112.3	G391 L392 S399	G391-S395 WeakPolarHBondContact O-CB 3.35Å; G391-S395 PolarHBondContact O-N 2.82Å; L392-S395 WeakPolarHBondContact CA-OG 3.39Å; L392-S395 PolarHBondContact O-N 3.08Å; L392-S395 PolarHBondContact O-OG 3.36Å; S395-S399 VanDerWaalsContact O-CB 3.25Å; S395-S399 WeakPolarHBondContact O-CB 3.45Å; S395-S399 PolarHBondContact O-N 3.44Å; S395-S399 PolarHBondContact O-OG 3.32Å
396	V	46.2	Very low	43	Very low	32 Å²	32	62.1 Å²	62.1	19%	0.194	34%	0.338	C	S	.	.	H	α-helix	trans	-63.4	-45.8	172.5	171.2	0	0	0	0	110.2	L392 S399 L400	L392-V396 WeakPolarHBondContact O-CB 3.36Å; L392-V396 VanDerWaalsContact O-CG2 3.23Å; L392-V396 WeakPolarHBondContact O-CG2 3.28Å; L392-V396 PolarHBondContact O-N 3Å; V396-S399 WeakPolarHBondContact O-CB 3.35Å; V396-S399 PolarHBondContact O-N 2.87Å; V396-L400 HydrophobicContact CG1-CD1 3.92Å; V396-L400 WeakPolarHBondContact O-CB 3.5Å; V396-L400 VanDerWaalsContact O-CG 3.3Å; V396-L400 WeakPolarHBondContact O-CG 3.24Å; V396-L400 PolarHBondContact O-N 3.45Å
397	W	50.1	Low	43.4	Very low	13 Å²	13	60.2 Å²	60.2	5%	0.049	33%	0.327	C	S	.	.	H	α-helix	trans	-62.4	-47.9	177.2	176.8	-118.9	0	0	0	113.1	E178 C181 R393 R394 S399 L400 Q401	E178-W397 HydrophobicContact CB-CE3 4.06Å; E178-W397 HydrophobicContact CB-CH2 3.65Å; E178-W397 HydrophobicContact CB-CZ2 4.29Å; E178-W397 HydrophobicContact CB-CZ3 3.48Å; E178-W397 VanDerWaalsContact CB-CZ3 3.48Å; E178-W397 HydrophobicContact CG-CH2 3.26Å; E178-W397 HydrophobicContact CG-CZ2 3.77Å; E178-W397 HydrophobicContact CG-CZ3 3.68Å; E178-W397 VanDerWaalsContact OE1-CH2 3.3Å; E178-W397 WeakPolarHBondContact OE1-CH2 3.18Å; E178-W397 WeakPolarHBondContact OE2-CH2 3.49Å; C181-W397 HydrophobicContact CB-CD2 4.34Å; C181-W397 HydrophobicContact CB-CG 3.93Å; C181-W397 VanDerWaalsContact SG-CG 3.59Å; R393-W397 WeakPolarHBondContact O-CB 3.49Å; R393-W397 PolarHBondContact O-N 3.33Å; R394-W397 PolarHBondContact O-N 3.15Å; W397-S399 VanDerWaalsContact C-N 3.29Å; W397-S399 PolarHBondContact O-N 3.25Å; W397-L400 WeakPolarHBondContact O-CB 3.25Å; W397-L400 PolarHBondContact O-N 3.33Å; W397-L400 VanDerWaalsContact O-N 3.16Å; W397-Q401 HydrophobicContact CD2-CG 4.22Å; W397-Q401 VanDerWaalsContact CE2-NE2 3.35Å; W397-Q401 HydrophobicContact CH2-CG 4.16Å; W397-Q401 HydrophobicContact CZ2-CG 3.75Å; W397-Q401 PolarHBondContact O-N 2.96Å
398	L	49.7	Very low	43.7	Very low	77 Å²	77	61.8 Å²	61.8	40%	0.403	32%	0.321	S	S	.	.	H	α-helix	trans	-62.5	-38.5	177.1	-73.5	168.7	0	0	0	111.6	R394 Q401 R402	R394-L398 HydrophobicContact CG-CD1 4.19Å; R394-L398 WeakPolarHBondContact O-CB 3.4Å; R394-L398 VanDerWaalsContact O-CG 3.24Å; R394-L398 WeakPolarHBondContact O-CG 3.47Å; R394-L398 PolarHBondContact O-N 2.88Å; L398-Q401 PolarHBondContact O-N 3.01Å; L398-R402 VanDerWaalsContact O-CG 3.32Å; L398-R402 WeakPolarHBondContact O-CG 3.5Å; L398-R402 PolarHBondContact O-N 3.34Å
399	S	46.8	Very low	43.7	Very low	24 Å²	24	65.3 Å²	65.3	17%	0.168	34%	0.338	C	S	.	.	H	α-helix	trans	-63.4	-41.4	173.7	-63.5	0	0	0	0	112.1	S395 V396 W397 R402 L403	S395-S399 VanDerWaalsContact O-CB 3.25Å; S395-S399 WeakPolarHBondContact O-CB 3.45Å; S395-S399 PolarHBondContact O-N 3.44Å; S395-S399 PolarHBondContact O-OG 3.32Å; V396-S399 WeakPolarHBondContact O-CB 3.35Å; V396-S399 PolarHBondContact O-N 2.87Å; W397-S399 VanDerWaalsContact C-N 3.29Å; W397-S399 PolarHBondContact O-N 3.25Å; S399-R402 PolarHBondContact O-N 2.9Å; S399-L403 PolarHBondContact O-N 2.98Å
400	L	50	Low	43.8	Very low	33 Å²	33	66.6 Å²	66.6	17%	0.173	34%	0.337	C	S	.	.	H	α-helix	trans	-66.3	-39.1	174.8	-75.6	164.4	0	0	0	112.4	L174 V396 W397 L403 R404	L174-L400 HydrophobicContact CD2-CD1 3.48Å; L174-L400 VanDerWaalsContact CD2-CD1 3.48Å; V396-L400 HydrophobicContact CG1-CD1 3.92Å; V396-L400 WeakPolarHBondContact O-CB 3.5Å; V396-L400 VanDerWaalsContact O-CG 3.3Å; V396-L400 WeakPolarHBondContact O-CG 3.24Å; V396-L400 PolarHBondContact O-N 3.45Å; W397-L400 WeakPolarHBondContact O-CB 3.25Å; W397-L400 PolarHBondContact O-N 3.33Å; W397-L400 VanDerWaalsContact O-N 3.16Å; L400-L403 PolarHBondContact O-N 3.36Å; L400-R404 WeakPolarHBondContact O-CB 3.02Å; L400-R404 WeakPolarHBondContact O-CG 3.07Å; L400-R404 PolarHBondContact O-N 3.4Å
401	Q	50.7	Low	43.7	Very low	91 Å²	91	65 Å²	65	43%	0.425	33%	0.326	S	S	.	.	H	α-helix	trans	-63.5	-42.5	172.8	-75.7	-167.7	-21.2	0	0	111.6	W397 L398 R404 S405	W397-Q401 HydrophobicContact CD2-CG 4.22Å; W397-Q401 VanDerWaalsContact CE2-NE2 3.35Å; W397-Q401 HydrophobicContact CH2-CG 4.16Å; W397-Q401 HydrophobicContact CZ2-CG 3.75Å; W397-Q401 PolarHBondContact O-N 2.96Å; L398-Q401 PolarHBondContact O-N 3.01Å; Q401-R404 PolarHBondContact O-N 2.89Å; Q401-S405 WeakPolarHBondContact O-CB 3.44Å; Q401-S405 PolarHBondContact O-N 3.19Å; Q401-S405 PolarHBondContact O-OG 3.29Å
402	R	46.7	Very low	43.8	Very low	143 Å²	143	70.9 Å²	70.9	54%	0.54	33%	0.331	S	S	.	.	H	α-helix	trans	-59.6	-46.6	173.6	-74	174.1	-177	-178.3	1.1	110.9	L398 S399 S405 L406	L398-R402 VanDerWaalsContact O-CG 3.32Å; L398-R402 WeakPolarHBondContact O-CG 3.5Å; L398-R402 PolarHBondContact O-N 3.34Å; S399-R402 PolarHBondContact O-N 2.9Å; R402-S405 PolarHBondContact O-N 3.32Å; R402-S405 PolarHBondContact O-OG 2.94Å; R402-L406 WeakPolarHBondContact O-CB 3.38Å; R402-L406 VanDerWaalsContact O-CG 3.29Å; R402-L406 WeakPolarHBondContact O-CG 3.35Å; R402-L406 PolarHBondContact O-N 2.91Å
403	L	45	Very low	43.4	Very low	33 Å²	33	75.1 Å²	75.1	17%	0.173	35%	0.347	C	S	.	.	H	α-helix	trans	-61.5	-44.4	175.8	-82.1	158.3	0	0	0	112.9	F361 S399 L400 S405 L406 S407	F361-L403 HydrophobicContact CE1-CD2 3.86Å; F361-L403 HydrophobicContact CE2-CD2 4.35Å; F361-L403 HydrophobicContact CZ-CD2 3.51Å; S399-L403 PolarHBondContact O-N 2.98Å; L400-L403 PolarHBondContact O-N 3.36Å; L403-S405 VanDerWaalsContact C-N 3.33Å; L403-S405 PolarHBondContact O-N 2.92Å; L403-L406 PolarHBondContact O-N 3.33Å; L403-S407 WeakPolarHBondContact O-CB 3.32Å; L403-S407 PolarHBondContact O-N 3.04Å
404	R	47	Very low	42.6	Very low	64 Å²	64	78.1 Å²	78.1	24%	0.242	37%	0.365	C	S	.	.	H	α-helix	trans	-63.2	-37.3	174	-79.1	-176	176.9	164.6	1.1	112.1	E178 L400 Q401 S407 R408 L487	E178-R404 IonicContact OE1-NH1 3.6Å; E178-R404 PolarHBondContact OE1-NH1 3.33Å; E178-R404 IonicContact OE2-CZ 3.19Å; E178-R404 IonicContact OE2-NH1 3.57Å; E178-R404 PolarHBondContact OE2-NH1 3.3Å; E178-R404 IonicContact OE2-NH2 2.74Å; E178-R404 PolarHBondContact OE2-NH2 3.44Å; L400-R404 WeakPolarHBondContact O-CB 3.02Å; L400-R404 WeakPolarHBondContact O-CG 3.07Å; L400-R404 PolarHBondContact O-N 3.4Å; Q401-R404 PolarHBondContact O-N 2.89Å; R404-S407 PolarHBondContact O-OG 2.83Å; R404-R408 WeakPolarHBondContact O-CB 3.47Å; R404-R408 VanDerWaalsContact O-CG 3.25Å; R404-R408 WeakPolarHBondContact O-CG 3.37Å; R404-R408 PolarHBondContact O-N 2.86Å; R404-L487 HydrophobicContact CG-CD2 4.35Å
405	S	43.9	Very low	41.9	Very low	62 Å²	62	79.8 Å²	79.8	43%	0.434	38%	0.377	S	S	.	.	H	α-helix	trans	-68.1	-40.5	176.4	76.4	0	0	0	0	111.6	Q401 R402 L403 R408 M409	Q401-S405 WeakPolarHBondContact O-CB 3.44Å; Q401-S405 PolarHBondContact O-N 3.19Å; Q401-S405 PolarHBondContact O-OG 3.29Å; R402-S405 PolarHBondContact O-N 3.32Å; R402-S405 PolarHBondContact O-OG 2.94Å; L403-S405 VanDerWaalsContact C-N 3.33Å; L403-S405 PolarHBondContact O-N 2.92Å; S405-R408 PolarHBondContact O-N 3.33Å; S405-M409 WeakPolarHBondContact O-CB 3.1Å; S405-M409 WeakPolarHBondContact O-CG 3.43Å; S405-M409 PolarHBondContact O-N 3.48Å
406	L	41.5	Very low	41.2	Very low	68 Å²	68	84.7 Å²	84.7	36%	0.356	40%	0.396	S	S	.	.	H	α-helix	trans	-66.8	-41.3	175.9	-72.9	166.9	0	0	0	111.6	R402 L403 M409 H410	R402-L406 WeakPolarHBondContact O-CB 3.38Å; R402-L406 VanDerWaalsContact O-CG 3.29Å; R402-L406 WeakPolarHBondContact O-CG 3.35Å; R402-L406 PolarHBondContact O-N 2.91Å; L403-L406 PolarHBondContact O-N 3.33Å; L406-M409 PolarHBondContact O-N 2.58Å; L406-H410 PolarHBondContact O-N 3.46Å
407	S	38.1	Very low	40.5	Very low	21 Å²	21	88 Å²	88	15%	0.147	41%	0.412	C	S	.	.	H	α-helix	trans	-65.6	-41.1	176.2	74.2	0	0	0	0	111.7	L403 R404 H410 N411	L403-S407 WeakPolarHBondContact O-CB 3.32Å; L403-S407 PolarHBondContact O-N 3.04Å; R404-S407 PolarHBondContact O-OG 2.83Å; S407-H410 PolarHBondContact O-N 3.31Å; S407-N411 WeakPolarHBondContact O-CB 3.28Å; S407-N411 PolarHBondContact O-N 3.34Å
408	R	38.3	Very low	39.6	Very low	140 Å²	140	93.8 Å²	93.8	53%	0.528	44%	0.443	S	S	.	.	H	α-helix	trans	-65.3	-38	174.2	-73.8	175.2	179.9	175.5	0.2	112.4	R404 S405 N411 R412 E494	R404-R408 WeakPolarHBondContact O-CB 3.47Å; R404-R408 VanDerWaalsContact O-CG 3.25Å; R404-R408 WeakPolarHBondContact O-CG 3.37Å; R404-R408 PolarHBondContact O-N 2.86Å; S405-R408 PolarHBondContact O-N 3.33Å; R408-N411 PolarHBondContact O-N 2.87Å; R408-R412 PolarHBondContact O-N 3.34Å; R408-E494 IonicContact NH2-OE2 3.58Å; R408-E494 PolarHBondContact NH2-OE2 2.87Å
409	M	37	Very low	38.5	Very low	129 Å²	129	100.1 Å²	100.1	64%	0.635	46%	0.463	S	S	*	.	H	α-helix	trans	-65.6	-40.8	174.6	-72.8	-99.5	-79.8	0	0	112	S405 L406 K413	S405-M409 WeakPolarHBondContact O-CB 3.1Å; S405-M409 WeakPolarHBondContact O-CG 3.43Å; S405-M409 PolarHBondContact O-N 3.48Å; L406-M409 PolarHBondContact O-N 2.58Å; M409-K413 PolarHBondContact O-N 3.12Å
410	H	39.1	Very low	37.7	Very low	105 Å²	105	102.6 Å²	102.6	49%	0.486	49%	0.486	S	S	.	.	H	α-helix	trans	-68.7	-39.8	174	-103.5	-83.6	0	0	0	112.4	L406 S407 R412 K413 L414	L406-H410 PolarHBondContact O-N 3.46Å; S407-H410 PolarHBondContact O-N 3.31Å; H410-R412 PolarHBondContact O-N 3.15Å; H410-K413 WeakPolarHBondContact O-CB 3.38Å; H410-K413 PolarHBondContact O-N 3.15Å; H410-L414 PolarHBondContact O-N 3.12Å; H410-L414 VanDerWaalsContact O-N 3.12Å
411	N	35.3	Very low	36.6	Very low	50 Å²	50	109.8 Å²	109.8	27%	0.267	52%	0.516	S	S	.	.	H	α-helix	trans	-68.1	-32	176.3	-89.8	-28.1	0	0	0	112.8	S407 R408 K413 L414 Q415	S407-N411 WeakPolarHBondContact O-CB 3.28Å; S407-N411 PolarHBondContact O-N 3.34Å; R408-N411 PolarHBondContact O-N 2.87Å; N411-K413 VanDerWaalsContact C-N 3.34Å; N411-L414 PolarHBondContact O-N 3.33Å; N411-Q415 WeakPolarHBondContact O-CG 3.5Å; N411-Q415 PolarHBondContact O-N 2.93Å
412	R	33.9	Very low	35.3	Very low	176 Å²	176	109.4 Å²	109.4	66%	0.664	54%	0.536	S	S	*	.	H	α-helix	trans	-64.6	-36.5	170.6	-82.4	-176.4	176.1	179.8	-1.1	112.7	R408 H410 L414 Q415 H416	R408-R412 PolarHBondContact O-N 3.34Å; H410-R412 PolarHBondContact O-N 3.15Å; R412-L414 VanDerWaalsContact C-N 3.32Å; R412-Q415 PolarHBondContact O-N 3.36Å; R412-H416 PolarHBondContact O-CD2 3.48Å; R412-H416 PolarHBondContact O-N 2.89Å
413	K	34.5	Very low	34.3	Very low	149 Å²	149	106 Å²	106	65%	0.648	55%	0.546	S	S	*	.	H	α-helix	trans	-66.4	-34.6	173.4	-74.5	-176.7	176	-177.7	0	112	M409 H410 N411 L417	M409-K413 PolarHBondContact O-N 3.12Å; H410-K413 WeakPolarHBondContact O-CB 3.38Å; H410-K413 PolarHBondContact O-N 3.15Å; N411-K413 VanDerWaalsContact C-N 3.34Å; K413-L417 PolarHBondContact O-N 3.05Å
414	L	30	Very low	33.3	Very low	99 Å²	99	112.4 Å²	112.4	52%	0.518	58%	0.58	S	S	.	*	H	α-helix	trans	-71.4	-35.8	172.8	-74.4	160.6	0	0	0	112.7	H410 N411 R412 L417 N418	H410-L414 PolarHBondContact O-N 3.12Å; H410-L414 VanDerWaalsContact O-N 3.12Å; N411-L414 PolarHBondContact O-N 3.33Å; R412-L414 VanDerWaalsContact C-N 3.32Å; L414-L417 PolarHBondContact O-N 3.38Å; L414-N418 PolarHBondContact O-N 3.44Å
415	Q	30.5	Very low	32.3	Very low	127 Å²	127	114.6 Å²	114.6	59%	0.593	61%	0.605	S	S	*	*	H	α-helix	trans	-67.9	-35.2	174.2	-77.5	179.1	-12.5	0	0	112.7	N411 R412 L417 N418 Y419	N411-Q415 WeakPolarHBondContact O-CG 3.5Å; N411-Q415 PolarHBondContact O-N 2.93Å; R412-Q415 PolarHBondContact O-N 3.36Å; Q415-L417 VanDerWaalsContact C-N 3.31Å; Q415-L417 PolarHBondContact O-N 3.32Å; Q415-N418 PolarHBondContact O-N 2.96Å; Q415-Y419 PolarHBondContact O-N 2.88Å
416	H	32	Very low	31.4	Very low	143 Å²	143	119.5 Å²	119.5	66%	0.662	62%	0.623	S	S	*	*	H	α-helix	trans	-69	-26.4	174.4	-92.9	-78	0	0	0	113.6	R412 Y419	R412-H416 PolarHBondContact O-CD2 3.48Å; R412-H416 PolarHBondContact O-N 2.89Å; H416-Y419 PolarHBondContact O-N 2.91Å
417	L	30.7	Very low	30.6	Very low	102 Å²	102	121.7 Å²	121.7	53%	0.534	64%	0.644	S	S	.	*	H	α-helix	trans	-73	-28.4	174.9	-85.1	153.7	0	0	0	112.8	K413 L414 Q415 Y419	K413-L417 PolarHBondContact O-N 3.05Å; L414-L417 PolarHBondContact O-N 3.38Å; Q415-L417 VanDerWaalsContact C-N 3.31Å; Q415-L417 PolarHBondContact O-N 3.32Å; L417-Y419 VanDerWaalsContact C-N 3.35Å
418	N	30.1	Very low	30.1	Very low	133 Å²	133	129.5 Å²	129.5	71%	0.711	68%	0.676	S	S	*	*	H	α-helix	trans	-78	-17.4	173.6	-78.7	-16.8	0	0	0	113.7	L414 Q415	L414-N418 PolarHBondContact O-N 3.44Å; Q415-N418 PolarHBondContact O-N 2.96Å
419	Y	28.5	Very low	29.4	Very low	210 Å²	210	127.7 Å²	127.7	82%	0.824	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-8.5	174.5	-94.8	-86.5	0	0	0	113.7	Q415 H416 L417	Q415-Y419 PolarHBondContact O-N 2.88Å; H416-Y419 PolarHBondContact O-N 2.91Å; L417-Y419 VanDerWaalsContact C-N 3.35Å
420	A	29.2	Very low	28.8	Very low	77 Å²	77	129.6 Å²	129.6	64%	0.636	70%	0.695	S	S	*	*	S	Bend	trans	-91.1	-7.4	-179.4	0	0	0	0	0	114
421	F	27.7	Very low	28	Very low	184 Å²	184	129 Å²	129	81%	0.807	71%	0.708	S	S	*	*	S	Bend	trans	-99.9	90.6	172.1	-81.1	-86.3	0	0	0	109.7
422	G	23.1	Very low	27.5	Very low	83 Å²	83	132.3 Å²	132.3	86%	0.856	73%	0.733	S	S	*	*			trans	-57.6	145.1	174	0	0	0	0	0	112.6
423	G	24.7	Very low	27.1	Very low	72 Å²	72	130.2 Å²	130.2	74%	0.742	74%	0.744	S	S	*	*			trans	173.4	79.7	176.9	0	0	0	0	0	112	S425	G423-S425 PolarHBondContact O-N 2.95Å
424	D	24.7	Very low	26.4	Very low	167 Å²	167	127.2 Å²	127.2	89%	0.893	74%	0.74	S	S	*	*			trans	-41.2	120	164.5	-74.6	-49.9	0	0	0	112.1
425	S	25.9	Very low	26.5	Very low	109 Å²	109	127.8 Å²	127.8	76%	0.762	75%	0.75	S	S	*	*			trans	-177.7	130.7	134.1	43.4	0	0	0	0	112.2	G423	G423-S425 PolarHBondContact O-N 2.95Å
426	M	25.3	Very low	26.1	Very low	166 Å²	166	127.4 Å²	127.4	82%	0.818	76%	0.757	S	S	*	*			trans	80.5	76.2	153.2	-60.7	-102.8	-115.2	0	0	117.4
427	S	25.1	Very low	25.6	Very low	114 Å²	114	130 Å²	130	80%	0.797	77%	0.766	S	S	*	*			trans	-49.7	130.2	134.8	45.4	0	0	0	0	111.9
428	K	25.8	Very low	25.2	Very low	185 Å²	185	129 Å²	129	80%	0.804	77%	0.773	S	S	*	*			trans	-176.6	122.6	147.5	-102.9	160.7	-172	179.6	0	112.8
429	S	24.7	Very low	24.9	Very low	102 Å²	102	128.1 Å²	128.1	71%	0.713	78%	0.777	S	S	*	*			trans	55.3	111.3	148.1	59.9	0	0	0	0	118.9
430	I	23.4	Very low	24.7	Very low	168 Å²	168	123.6 Å²	123.6	86%	0.862	77%	0.767	S	S	*	*				49.1	100.4	70.5	-49.6	173	0	0	0	113.3
431	A	22.7	Very low	24.7	Very low	92 Å²	92	129 Å²	129	76%	0.76	78%	0.779	S	S	*	*				-179	144.6	126.3	0	0	0	0	0	112.4
432	P	25.9	Very low	24.6	Very low	121 Å²	121	129.5 Å²	129.5	79%	0.786	78%	0.776	S	S	*	*			trans	-95.3	145.9	-173.1	37.5	-31.5	0	0	0	112.8
433	C	24.4	Very low	24.7	Very low	132 Å²	132	131.8 Å²	131.8	89%	0.892	78%	0.777	S	S	*	*			trans	-140.4	104.2	168.6	-73.6	0	0	0	0	111.1
434	C	20.3	Very low	24.8	Very low	85 Å²	85	132.7 Å²	132.7	57%	0.574	78%	0.778	S	S	*	*			trans	-89.7	-175.4	150.2	-60.8	0	0	0	0	108.8	S503	C434-S503 WeakPolarHBondContact SG-CB 3.4Å; C434-S503 PolarHBondContact SG-OG 3.49Å
435	P	31.7	Very low	25	Very low	111 Å²	111	134.5 Å²	134.5	72%	0.721	78%	0.777	S	S	*	*				-126.3	-158.1	-60.5	34.4	-15.6	0	0	0	110.4
436	T	22.1	Very low	25.2	Very low	120 Å²	120	134.3 Å²	134.3	74%	0.736	78%	0.776	S	S	*	*			trans	88.3	121.7	161.9	45.9	0	0	0	0	121.9
437	F	21.2	Very low	25.4	Very low	197 Å²	197	133 Å²	133	86%	0.864	78%	0.777	S	S	*	*			trans	36.2	130.1	141.6	-79.1	-90	0	0	0	121.5
438	A	22.8	Very low	25.5	Very low	81 Å²	81	130.8 Å²	130.8	67%	0.669	77%	0.773	S	S	*	*			trans	70.1	133.5	137.3	0	0	0	0	0	118
439	S	23.7	Very low	25.5	Very low	114 Å²	114	134.3 Å²	134.3	80%	0.797	78%	0.781	S	S	*	*			trans	56.8	91	157.1	56.8	0	0	0	0	116.7
440	D	25.1	Very low	25.5	Very low	115 Å²	115	132.6 Å²	132.6	62%	0.615	78%	0.78	S	S	*	*			trans	-154	115.2	142.7	-128.4	-25.3	0	0	0	111.4	R442	D440-R442 PolarHBondContact O-N 3.06Å; D440-R442 IonicContact OD1-CZ 3.89Å; D440-R442 IonicContact OD1-NE 3.85Å; D440-R442 PolarHBondContact OD1-NE 2.52Å; D440-R442 IonicContact OD1-NH2 3Å; D440-R442 IonicContact OD2-CZ 4Å; D440-R442 IonicContact OD2-NE 3.9Å; D440-R442 PolarHBondContact OD2-NE 3.19Å; D440-R442 IonicContact OD2-NH2 3.33Å
441	E	27.8	Very low	25.7	Very low	192 Å²	192	134.6 Å²	134.6	90%	0.897	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	30.5	175.5	-73.5	177.1	129.2	0	0	113.2
442	R	26.9	Very low	25.8	Very low	194 Å²	194	139.5 Å²	139.5	73%	0.732	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-5.5	-168.7	-68	-173	-154.5	-156.5	3.5	116.1	D440 A444	D440-R442 PolarHBondContact O-N 3.06Å; D440-R442 IonicContact OD1-CZ 3.89Å; D440-R442 IonicContact OD1-NE 3.85Å; D440-R442 PolarHBondContact OD1-NE 2.52Å; D440-R442 IonicContact OD1-NH2 3Å; D440-R442 IonicContact OD2-CZ 4Å; D440-R442 IonicContact OD2-NE 3.9Å; D440-R442 PolarHBondContact OD2-NE 3.19Å; D440-R442 IonicContact OD2-NH2 3.33Å; R442-A444 VanDerWaalsContact C-N 3.33Å
443	C	25.4	Very low	25.9	Very low	130 Å²	130	138.5 Å²	138.5	88%	0.878	77%	0.774	S	S	*	*	S	Bend	trans	-88	4.6	171.2	-84.3	0	0	0	0	114.4
444	A	26.5	Very low	26.1	Very low	92 Å²	92	142 Å²	142	76%	0.76	77%	0.77	S	S	*	*	S	Bend	trans	-94.2	13.7	-176.9	0	0	0	0	0	115	R442	R442-A444 VanDerWaalsContact C-N 3.33Å
445	K	28.8	Very low	26.4	Very low	204 Å²	204	144.1 Å²	144.1	89%	0.887	78%	0.776	S	S	*	*	S	Bend	trans	-122.6	0.8	-172	-83.9	-176.4	177.9	175.6	0	117.3
446	S	30.3	Very low	26.1	Very low	105 Å²	105	145.1 Å²	145.1	73%	0.734	78%	0.779	S	S	*	*	S	Bend	trans	-113.3	0.8	-173.1	53.2	0	0	0	0	116.7
447	V	28.6	Very low	26.3	Very low	138 Å²	138	146.1 Å²	146.1	84%	0.836	78%	0.78	S	S	*	*	S	Bend	trans	-120.1	105.9	172.9	-164.9	0	0	0	0	109.2
448	G	27.5	Very low	26.5	Very low	69 Å²	69	145.2 Å²	145.2	71%	0.711	78%	0.778	S	S	*	*			trans	-54.2	147.7	-173.7	0	0	0	0	0	113.6	G450	G448-G450 PolarHBondContact O-N 2.92Å
449	R	25.7	Very low	26.6	Very low	259 Å²	259	146.7 Å²	146.7	98%	0.977	78%	0.781	S	S	*	*	S	Bend	trans	-54.1	125.7	169.6	-65.8	179.3	178.6	-169.9	-1.2	110.1
450	G	25.7	Very low	26.7	Very low	66 Å²	66	146 Å²	146	68%	0.68	77%	0.773	S	S	*	*	S	Bend	trans	108.6	118.9	162.3	0	0	0	0	0	114.1	G448	G448-G450 PolarHBondContact O-N 2.92Å
451	K	26	Very low	26.8	Very low	209 Å²	209	146.1 Å²	146.1	91%	0.909	78%	0.783	S	S	*	*			trans	89.5	105.5	-179.4	-55.1	-175.9	179.4	-176.2	0	114.2
452	R	25.8	Very low	26.8	Very low	195 Å²	195	145.5 Å²	145.5	74%	0.736	78%	0.778	S	S	*	*			trans	-69.2	130.3	174.7	-69.9	-179.8	176.5	-177.1	-1.1	108.7	Y454	R452-Y454 PolarHBondContact O-N 2.87Å
453	P	27.8	Very low	26.9	Very low	100 Å²	100	144.1 Å²	144.1	65%	0.649	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	4.9	175.8	-18	31.2	0	0	0	114.9
454	Y	28.1	Very low	27.2	Very low	206 Å²	206	140.1 Å²	140.1	81%	0.808	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-0.4	-173.1	-64.8	-77.2	0	0	0	114.2	R452	R452-Y454 PolarHBondContact O-N 2.87Å
455	D	26.9	Very low	27.7	Very low	129 Å²	129	140.9 Å²	140.9	69%	0.69	75%	0.754	S	S	*	*	S	Bend	trans	-96.6	8.8	-177.9	-67.7	-33.7	0	0	0	113.9
456	V	26.2	Very low	27.9	Very low	132 Å²	132	137 Å²	137	80%	0.8	74%	0.741	S	S	*	*	S	Bend	trans	-134.2	1.6	-172.8	-173.9	0	0	0	0	114.6
457	L	24.6	Very low	27.9	Very low	142 Å²	142	133.5 Å²	133.5	74%	0.743	72%	0.716	S	S	*	*			trans	-126.7	101.7	-179.4	-70.1	166.1	0	0	0	110.1
458	E	25.5	Very low	28.1	Very low	178 Å²	178	132.3 Å²	132.3	83%	0.832	71%	0.713	S	S	*	*			trans	-45.7	135.4	158.8	-70.8	-177.5	153.7	0	0	108.5
459	P	25.4	Very low	28.5	Very low	112 Å²	112	134.3 Å²	134.3	73%	0.727	71%	0.708	S	S	*	*			trans	-56.4	129	175.9	23.7	-30.5	0	0	0	107.3	S461	P459-S461 PolarHBondContact O-N 3.07Å
460	P	25.5	Very low	29	Very low	98 Å²	98	127.9 Å²	127.9	64%	0.636	69%	0.692	S	S	*	*			trans	-54.7	121.2	177.2	20.9	-29.3	0	0	0	107.1	F462	P460-F462 PolarHBondContact O-N 3.45Å
461	S	27.5	Very low	29.6	Very low	118 Å²	118	128.4 Å²	128.4	83%	0.825	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	27.1	-176.3	48.5	0	0	0	0	113.6	P459 Y463	P459-S461 PolarHBondContact O-N 3.07Å; S461-Y463 VanDerWaalsContact C-N 3.25Å; S461-Y463 PolarHBondContact O-N 3.49Å
462	F	28.1	Very low	30.2	Very low	179 Å²	179	126.8 Å²	126.8	79%	0.785	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-16.5	175.7	-104	-89.5	0	0	0	113.3	P460 G464	P460-F462 PolarHBondContact O-N 3.45Å; F462-G464 PolarHBondContact O-N 3.03Å
463	Y	28.9	Very low	31.1	Very low	166 Å²	166	125.3 Å²	125.3	65%	0.651	67%	0.672	S	S	*	*	S	Bend	trans	-89.1	85.8	171.3	-71.5	-84.4	0	0	0	109.1	S461 S465	S461-Y463 VanDerWaalsContact C-N 3.25Å; S461-Y463 PolarHBondContact O-N 3.49Å; Y463-S465 PolarHBondContact O-N 3.32Å
464	G	31.8	Very low	31.6	Very low	46 Å²	46	121.8 Å²	121.8	47%	0.474	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-55.7	116.2	169.2	0	0	0	0	0	109.3	F462 M466 W478	F462-G464 PolarHBondContact O-N 3.03Å; G464-M466 PolarHBondContact O-N 2.98Å; G464-W478 PolarHBondContact O-NE1 3.36Å
465	S	36.9	Very low	32.2	Very low	107 Å²	107	114.3 Å²	114.3	75%	0.748	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-46.9	138.9	159.7	37.4	0	0	0	0	108.4	Y463 P467	Y463-S465 PolarHBondContact O-N 3.32Å; S465-P467 VanDerWaalsContact O-N 3.08Å
466	M	32.6	Very low	33	Very low	123 Å²	123	109.7 Å²	109.7	61%	0.606	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-46.5	123.6	174.1	-173.5	167.8	107.8	0	0	107.7	G464 S468 L470	G464-M466 PolarHBondContact O-N 2.98Å; M466-S468 PolarHBondContact O-N 3.43Å; M466-S468 VanDerWaalsContact O-N 3.17Å; M466-L470 HydrophobicContact CE-CD2 4.39Å
467	P	29.9	Very low	34	Very low	32 Å²	32	110.5 Å²	110.5	21%	0.208	59%	0.593	C	S	.	*	P	Polyproline II helix	trans	-57.7	127.3	-176.4	20.6	-29.8	0	0	0	108.2	S465 D469 S474 W478	S465-P467 VanDerWaalsContact O-N 3.08Å; P467-D469 PolarHBondContact O-N 3.44Å; P467-S474 WeakPolarHBondContact CG-OG 3.47Å; P467-W478 HydrophobicContact CG-CB 4.42Å
468	S	34.2	Very low	35	Very low	112 Å²	112	107.8 Å²	107.8	78%	0.783	57%	0.573	S	S	*	*	S	Bend	trans	-59.4	-29.7	174.1	39.6	0	0	0	0	111.1	M466 L470	M466-S468 PolarHBondContact O-N 3.43Å; M466-S468 VanDerWaalsContact O-N 3.17Å; S468-L470 PolarHBondContact O-N 3.01Å
469	D	35.8	Very low	36.1	Very low	111 Å²	111	103.7 Å²	103.7	59%	0.594	55%	0.552	S	S	*	*	S	Bend	trans	-81.7	103.5	170.8	-60.9	-28.1	0	0	0	108.6	P467 T471 S474	P467-D469 PolarHBondContact O-N 3.44Å; D469-T471 HydrophobicContact CB-CG2 4.36Å; D469-T471 PolarHBondContact O-N 3.41Å; D469-S474 PolarHBondContact O-OG 3.38Å
470	L	36.2	Very low	37.1	Very low	125 Å²	125	101.1 Å²	101.1	65%	0.654	53%	0.531	S	S	*	.			trans	-69.3	27.5	175.1	-72.4	160.1	0	0	0	113	M466 S468 L475	M466-L470 HydrophobicContact CE-CD2 4.39Å; S468-L470 PolarHBondContact O-N 3.01Å; L470-L475 HydrophobicContact CB-CD1 4.47Å; L470-L475 HydrophobicContact CD2-CD1 4.03Å
471	T	39	Very low	38.1	Very low	77 Å²	77	101.3 Å²	101.3	47%	0.472	53%	0.527	S	S	.	.			trans	-66.7	144.7	177.6	59.5	0	0	0	0	110.1	D469 E473 S474 L475	D469-T471 HydrophobicContact CB-CG2 4.36Å; D469-T471 PolarHBondContact O-N 3.41Å; T471-E473 PolarHBondContact O-N 2.77Å; T471-E473 VanDerWaalsContact O-N 3.12Å; T471-S474 PolarHBondContact N-OG 3.47Å; T471-S474 PolarHBondContact O-N 3.47Å; T471-S474 VanDerWaalsContact O-N 3.15Å; T471-S474 PolarHBondContact O-OG 3.42Å; T471-S474 WeakPolarHBondContact OG1-CB 3.5Å; T471-S474 PolarHBondContact OG1-OG 3.01Å; T471-S474 VanDerWaalsContact OG1-OG 3.12Å; T471-L475 PolarHBondContact O-N 3.47Å; T471-L475 VanDerWaalsContact O-N 3.15Å
472	R	37.2	Very low	39	Very low	175 Å²	175	98.3 Å²	98.3	66%	0.66	50%	0.498	S	S	*	.	H	α-helix	trans	-52.6	-38.5	-178.8	-172.7	176.9	178	152	7.2	111.7	E369 T476	E369-R472 IonicContact OE1-CZ 3.35Å; E369-R472 IonicContact OE1-NH1 3.45Å; E369-R472 IonicContact OE1-NH2 2.82Å; E369-R472 PolarHBondContact OE1-NH2 3.42Å; R472-T476 VanDerWaalsContact O-CB 3.29Å; R472-T476 WeakPolarHBondContact O-CB 3.44Å; R472-T476 PolarHBondContact O-N 2.7Å; R472-T476 VanDerWaalsContact O-N 3.08Å; R472-T476 PolarHBondContact O-OG1 3.47Å
473	E	44.5	Very low	39.8	Very low	164 Å²	164	94.5 Å²	94.5	77%	0.766	48%	0.479	S	S	*	.	H	α-helix	trans	-70.1	-42.4	-179.2	-65.8	-177.5	168.6	0	0	113.2	T471 T476 K477	T471-E473 PolarHBondContact O-N 2.77Å; T471-E473 VanDerWaalsContact O-N 3.12Å; E473-T476 PolarHBondContact O-N 3.45Å; E473-K477 WeakPolarHBondContact O-CB 3.38Å; E473-K477 PolarHBondContact O-N 3.34Å
474	S	39.7	Very low	40.5	Very low	26 Å²	26	90.8 Å²	90.8	18%	0.182	46%	0.464	C	S	.	.	H	α-helix	trans	-68.8	-42	-179	68.7	0	0	0	0	111.5	P467 D469 T471 T476 K477 W478	P467-S474 WeakPolarHBondContact CG-OG 3.47Å; D469-S474 PolarHBondContact O-OG 3.38Å; T471-S474 PolarHBondContact N-OG 3.47Å; T471-S474 PolarHBondContact O-N 3.47Å; T471-S474 VanDerWaalsContact O-N 3.15Å; T471-S474 PolarHBondContact O-OG 3.42Å; T471-S474 WeakPolarHBondContact OG1-CB 3.5Å; T471-S474 PolarHBondContact OG1-OG 3.01Å; T471-S474 VanDerWaalsContact OG1-OG 3.12Å; S474-T476 VanDerWaalsContact C-N 3.34Å; S474-K477 PolarHBondContact O-N 3.05Å; S474-W478 WeakPolarHBondContact O-CB 3.32Å; S474-W478 PolarHBondContact O-N 3.36Å
475	L	39	Very low	41.2	Very low	48 Å²	48	90.4 Å²	90.4	25%	0.251	46%	0.455	S	S	.	.	H	α-helix	trans	-62.9	-40.2	173.9	-97.6	155.1	0	0	0	111.7	L470 T471 W478 K479	L470-L475 HydrophobicContact CB-CD1 4.47Å; L470-L475 HydrophobicContact CD2-CD1 4.03Å; T471-L475 PolarHBondContact O-N 3.47Å; T471-L475 VanDerWaalsContact O-N 3.15Å; L475-W478 PolarHBondContact O-N 3.28Å; L475-K479 WeakPolarHBondContact O-CB 3.4Å; L475-K479 VanDerWaalsContact O-CG 3.29Å; L475-K479 WeakPolarHBondContact O-CG 3.42Å; L475-K479 PolarHBondContact O-N 3.5Å
476	T	44.1	Very low	41.4	Very low	33 Å²	33	88.2 Å²	88.2	20%	0.202	43%	0.434	C	S	.	.	H	α-helix	trans	-66	-44.6	177.2	-57.9	0	0	0	0	111.2	L365 R472 E473 S474 K479 M480	L365-T476 HydrophobicContact CD1-CG2 3.37Å; L365-T476 HydrophobicContact CD2-CG2 4.33Å; L365-T476 HydrophobicContact CG-CG2 4.49Å; R472-T476 VanDerWaalsContact O-CB 3.29Å; R472-T476 WeakPolarHBondContact O-CB 3.44Å; R472-T476 PolarHBondContact O-N 2.7Å; R472-T476 VanDerWaalsContact O-N 3.08Å; R472-T476 PolarHBondContact O-OG1 3.47Å; E473-T476 PolarHBondContact O-N 3.45Å; S474-T476 VanDerWaalsContact C-N 3.34Å; T476-K479 PolarHBondContact O-N 3.01Å; T476-M480 PolarHBondContact O-N 3.36Å
477	K	48.6	Very low	41.7	Very low	148 Å²	148	83.8 Å²	83.8	64%	0.643	41%	0.413	S	S	*	.	H	α-helix	trans	-64.7	-39.9	177.1	-165.2	174	-176.5	178	0	111.9	E473 S474 M480 N481	E473-K477 WeakPolarHBondContact O-CB 3.38Å; E473-K477 PolarHBondContact O-N 3.34Å; S474-K477 PolarHBondContact O-N 3.05Å; K477-M480 PolarHBondContact O-N 3.15Å; K477-N481 PolarHBondContact O-N 2.81Å
478	W	45	Very low	42.1	Very low	85 Å²	85	85.9 Å²	85.9	32%	0.322	42%	0.422	S	S	.	.	H	α-helix	trans	-65.2	-46.7	174.9	-175.4	84.9	0	0	0	112.2	G464 P467 S474 L475 M480 N481 Y482	G464-W478 PolarHBondContact O-NE1 3.36Å; P467-W478 HydrophobicContact CG-CB 4.42Å; S474-W478 WeakPolarHBondContact O-CB 3.32Å; S474-W478 PolarHBondContact O-N 3.36Å; L475-W478 PolarHBondContact O-N 3.28Å; W478-M480 PolarHBondContact O-N 3.49Å; W478-N481 PolarHBondContact O-N 2.85Å; W478-Y482 WeakPolarHBondContact O-CB 3.18Å; W478-Y482 PolarHBondContact O-N 2.87Å
479	K	47.7	Very low	42.3	Very low	92 Å²	92	84.7 Å²	84.7	40%	0.4	41%	0.407	S	S	.	.	H	α-helix	trans	-58.3	-46.3	174.5	-77.2	178.1	-179.8	-177.7	0	111.1	L475 T476 N481 Y482 Y483	L475-K479 WeakPolarHBondContact O-CB 3.4Å; L475-K479 VanDerWaalsContact O-CG 3.29Å; L475-K479 WeakPolarHBondContact O-CG 3.42Å; L475-K479 PolarHBondContact O-N 3.5Å; T476-K479 PolarHBondContact O-N 3.01Å; K479-N481 PolarHBondContact O-N 2.96Å; K479-Y482 PolarHBondContact O-N 3.46Å; K479-Y483 WeakPolarHBondContact O-CD2 3.19Å; K479-Y483 PolarHBondContact O-N 2.88Å
480	M	46.4	Very low	42.1	Very low	59 Å²	59	81.4 Å²	81.4	29%	0.291	39%	0.393	S	S	.	.	H	α-helix	trans	-56.9	-51.4	176.3	-83.1	-173.5	165.9	0	0	112	F361 T476 K477 W478 Y482 Y483 Y484	F361-M480 HydrophobicContact CB-CE 3.7Å; F361-M480 HydrophobicContact CD1-CE 3.2Å; F361-M480 HydrophobicContact CD2-CE 3.95Å; F361-M480 HydrophobicContact CE1-CE 3.64Å; F361-M480 HydrophobicContact CE1-CG 4.44Å; F361-M480 HydrophobicContact CE2-CE 4.33Å; F361-M480 HydrophobicContact CG-CE 3.34Å; F361-M480 HydrophobicContact CZ-CE 4.18Å; T476-M480 PolarHBondContact O-N 3.36Å; K477-M480 PolarHBondContact O-N 3.15Å; W478-M480 PolarHBondContact O-N 3.49Å; M480-Y482 VanDerWaalsContact C-N 3.28Å; M480-Y482 PolarHBondContact O-N 3.42Å; M480-Y483 PolarHBondContact O-N 3.43Å; M480-Y484 WeakPolarHBondContact O-CD2 3.24Å; M480-Y484 PolarHBondContact O-N 2.96Å
481	N	47.9	Very low	41.8	Very low	102 Å²	102	76.7 Å²	76.7	55%	0.545	37%	0.372	S	S	.	.	H	α-helix	trans	-61.1	-37.5	-179.9	-73.9	-12.2	0	0	0	112.5	K477 W478 K479 S485	K477-N481 PolarHBondContact O-N 2.81Å; W478-N481 PolarHBondContact O-N 2.85Å; K479-N481 PolarHBondContact O-N 2.96Å; N481-S485 PolarHBondContact O-N 3.17Å
482	Y	45	Very low	41.5	Very low	54 Å²	54	78.5 Å²	78.5	21%	0.212	38%	0.378	C	S	.	.	H	α-helix	trans	-65.8	-41.7	175.4	-177.6	-98.2	0	0	0	113	R167 W478 K479 M480 S485 I486	R167-Y482 WeakPolarHBondContact CG-OH 3.33Å; R167-Y482 PolarHBondContact NE-OH 3.37Å; W478-Y482 WeakPolarHBondContact O-CB 3.18Å; W478-Y482 PolarHBondContact O-N 2.87Å; K479-Y482 PolarHBondContact O-N 3.46Å; M480-Y482 VanDerWaalsContact C-N 3.28Å; M480-Y482 PolarHBondContact O-N 3.42Å; Y482-S485 PolarHBondContact O-N 3.4Å; Y482-S485 PolarHBondContact O-OG 3.47Å; Y482-I486 HydrophobicContact CD1-CD1 3.74Å; Y482-I486 HydrophobicContact CE1-CD1 3.29Å; Y482-I486 HydrophobicContact CE1-CG1 4.49Å; Y482-I486 HydrophobicContact CE2-CD1 4.45Å; Y482-I486 HydrophobicContact CG-CD1 4.49Å; Y482-I486 WeakPolarHBondContact O-CG1 3.15Å; Y482-I486 PolarHBondContact O-N 2.76Å
483	Y	45	Very low	41.3	Very low	99 Å²	99	76 Å²	76	39%	0.388	37%	0.374	S	S	.	.	H	α-helix	trans	-70.8	-37.7	176.1	-79.7	-70.2	0	0	0	112.2	W364 K479 M480 S485 I486 L487	W364-Y483 HydrophobicContact CH2-CD2 4.01Å; W364-Y483 AromaticContact CH2-CE2 3.62Å; W364-Y483 HydrophobicContact CH2-CE2 3.62Å; W364-Y483 AromaticContact CH2-CZ 3.92Å; W364-Y483 HydrophobicContact CZ3-CE2 4.37Å; K479-Y483 WeakPolarHBondContact O-CD2 3.19Å; K479-Y483 PolarHBondContact O-N 2.88Å; M480-Y483 PolarHBondContact O-N 3.43Å; Y483-S485 VanDerWaalsContact C-N 3.33Å; Y483-S485 PolarHBondContact O-N 3.46Å; Y483-I486 PolarHBondContact O-N 2.87Å; Y483-L487 WeakPolarHBondContact O-CB 3.22Å; Y483-L487 VanDerWaalsContact O-CG 3.3Å; Y483-L487 WeakPolarHBondContact O-CG 3.25Å; Y483-L487 PolarHBondContact O-N 3Å
484	Y	44.6	Very low	40.5	Very low	88 Å²	88	72.7 Å²	72.7	35%	0.345	36%	0.359	S	S	.	.	H	α-helix	trans	-63	-37.5	173.9	-86.9	-70.7	0	0	0	112.3	M480 L487 N488	M480-Y484 WeakPolarHBondContact O-CD2 3.24Å; M480-Y484 PolarHBondContact O-N 2.96Å; Y484-L487 PolarHBondContact O-N 3.33Å; Y484-N488 WeakPolarHBondContact O-CB 2.84Å; Y484-N488 PolarHBondContact O-N 3.3Å
485	S	45.6	Very low	40	Very low	39 Å²	39	76.5 Å²	76.5	27%	0.273	38%	0.381	S	S	.	.	H	α-helix	trans	-66.6	-42.8	175.7	70	0	0	0	0	111.9	N481 Y482 Y483 L487 N488 D489	N481-S485 PolarHBondContact O-N 3.17Å; Y482-S485 PolarHBondContact O-N 3.4Å; Y482-S485 PolarHBondContact O-OG 3.47Å; Y483-S485 VanDerWaalsContact C-N 3.33Å; Y483-S485 PolarHBondContact O-N 3.46Å; S485-L487 VanDerWaalsContact C-N 3.33Å; S485-L487 PolarHBondContact O-N 3.28Å; S485-N488 PolarHBondContact O-N 2.75Å; S485-D489 WeakPolarHBondContact O-CB 3.4Å; S485-D489 PolarHBondContact O-N 3.04Å
486	I	42.6	Very low	39.6	Very low	61 Å²	61	79.4 Å²	79.4	31%	0.313	39%	0.391	S	S	.	.	H	α-helix	trans	-63.8	-40.2	176.9	-68	170.5	0	0	0	111.2	Y482 Y483 S490	Y482-I486 HydrophobicContact CD1-CD1 3.74Å; Y482-I486 HydrophobicContact CE1-CD1 3.29Å; Y482-I486 HydrophobicContact CE1-CG1 4.49Å; Y482-I486 HydrophobicContact CE2-CD1 4.45Å; Y482-I486 HydrophobicContact CG-CD1 4.49Å; Y482-I486 WeakPolarHBondContact O-CG1 3.15Å; Y482-I486 PolarHBondContact O-N 2.76Å; Y483-I486 PolarHBondContact O-N 2.87Å; I486-S490 WeakPolarHBondContact O-CB 3.4Å; I486-S490 PolarHBondContact O-N 3.04Å
487	L	38.2	Very low	38.8	Very low	30 Å²	30	86.5 Å²	86.5	16%	0.157	41%	0.414	C	S	.	.	H	α-helix	trans	-68.3	-40	178.5	-74.3	168	0	0	0	112	R404 Y483 Y484 S485 S490 A491	R404-L487 HydrophobicContact CG-CD2 4.35Å; Y483-L487 WeakPolarHBondContact O-CB 3.22Å; Y483-L487 VanDerWaalsContact O-CG 3.3Å; Y483-L487 WeakPolarHBondContact O-CG 3.25Å; Y483-L487 PolarHBondContact O-N 3Å; Y484-L487 PolarHBondContact O-N 3.33Å; S485-L487 VanDerWaalsContact C-N 3.33Å; S485-L487 PolarHBondContact O-N 3.28Å; L487-S490 PolarHBondContact O-N 3.31Å; L487-S490 PolarHBondContact O-OG 3.31Å; L487-A491 WeakPolarHBondContact O-CB 3.32Å; L487-A491 PolarHBondContact O-N 3.45Å
488	N	38.8	Very low	37.7	Very low	75 Å²	75	83.1 Å²	83.1	40%	0.401	41%	0.414	S	S	.	.	H	α-helix	trans	-68.7	-38.5	175.7	-85.9	-7.6	0	0	0	112.6	Y484 S485 A491 N492	Y484-N488 WeakPolarHBondContact O-CB 2.84Å; Y484-N488 PolarHBondContact O-N 3.3Å; S485-N488 PolarHBondContact O-N 2.75Å; N488-A491 PolarHBondContact O-N 3.47Å; N488-N492 WeakPolarHBondContact O-CB 3.46Å; N488-N492 PolarHBondContact O-N 3.43Å; N488-N492 PolarHBondContact O-ND2 3.4Å
489	D	37	Very low	36.9	Very low	88 Å²	88	83 Å²	83	47%	0.471	43%	0.426	S	S	.	.	H	α-helix	trans	-64.8	-41.9	173.9	-72.2	-18.5	0	0	0	110.6	S485 A491 N492 E493	S485-D489 WeakPolarHBondContact O-CB 3.4Å; S485-D489 PolarHBondContact O-N 3.04Å; D489-A491 PolarHBondContact O-N 2.94Å; D489-N492 PolarHBondContact O-N 3.07Å; D489-E493 PolarHBondContact O-N 3.32Å
490	S	31.9	Very low	36.1	Very low	42 Å²	42	85.2 Å²	85.2	29%	0.294	44%	0.438	S	S	.	.	H	α-helix	trans	-67.6	-33.3	176.4	81.6	0	0	0	0	113.5	I486 L487 E493 E494	I486-S490 WeakPolarHBondContact O-CB 3.4Å; I486-S490 PolarHBondContact O-N 3.04Å; L487-S490 PolarHBondContact O-N 3.31Å; L487-S490 PolarHBondContact O-OG 3.31Å; S490-E493 PolarHBondContact O-N 3.49Å; S490-E494 PolarHBondContact O-N 3.47Å
491	A	30.2	Very low	35.3	Very low	26 Å²	26	86.1 Å²	86.1	22%	0.215	45%	0.45	C	S	.	.	H	α-helix	trans	-72.6	-33.2	177.5	0	0	0	0	0	111.9	L487 N488 D489 V495	L487-A491 WeakPolarHBondContact O-CB 3.32Å; L487-A491 PolarHBondContact O-N 3.45Å; N488-A491 PolarHBondContact O-N 3.47Å; D489-A491 PolarHBondContact O-N 2.94Å; A491-V495 WeakPolarHBondContact O-CG2 3.32Å; A491-V495 PolarHBondContact O-N 3.29Å
492	N	33.3	Very low	34.3	Very low	115 Å²	115	86.5 Å²	86.5	62%	0.615	46%	0.461	S	S	*	.	H	α-helix	trans	-75.6	-28.6	173.9	-72.9	-24.4	0	0	0	112.3	N488 D489	N488-N492 WeakPolarHBondContact O-CB 3.46Å; N488-N492 PolarHBondContact O-N 3.43Å; N488-N492 PolarHBondContact O-ND2 3.4Å; D489-N492 PolarHBondContact O-N 3.07Å
493	E	32.1	Very low	33.4	Very low	123 Å²	123	86.9 Å²	86.9	58%	0.575	47%	0.471	S	S	*	.	H	α-helix	trans	-73.5	-46.7	169.8	-74	-170.3	167.1	0	0	111.8	D489 S490 V495 K496 W497	D489-E493 PolarHBondContact O-N 3.32Å; S490-E493 PolarHBondContact O-N 3.49Å; E493-V495 PolarHBondContact O-N 2.94Å; E493-K496 WeakPolarHBondContact O-CA 3.41Å; E493-K496 WeakPolarHBondContact O-CB 3.39Å; E493-K496 PolarHBondContact O-N 3.42Å; E493-W497 PolarHBondContact O-N 2.97Å
494	E	28.7	Very low	32.4	Very low	94 Å²	94	90.6 Å²	90.6	44%	0.439	49%	0.49	S	S	.	.	H	α-helix	trans	-55.8	-30.3	179.1	-82.3	-172	167	0	0	113.5	R408 S490 A498	R408-E494 IonicContact NH2-OE2 3.58Å; R408-E494 PolarHBondContact NH2-OE2 2.87Å; S490-E494 PolarHBondContact O-N 3.47Å; E494-A498 WeakPolarHBondContact O-CB 3.41Å; E494-A498 PolarHBondContact O-N 3Å
495	V	28.4	Very low	31.4	Very low	106 Å²	106	91.9 Å²	91.9	64%	0.642	51%	0.509	S	S	*	.	H	α-helix	trans	-77.4	-27.3	176.6	177	0	0	0	0	112.6	A491 E493 S499	A491-V495 WeakPolarHBondContact O-CG2 3.32Å; A491-V495 PolarHBondContact O-N 3.29Å; E493-V495 PolarHBondContact O-N 2.94Å; V495-S499 PolarHBondContact O-OG 3.26Å; V495-S499 VanDerWaalsContact O-OG 3.1Å
496	K	29.8	Very low	30.3	Very low	108 Å²	108	95.5 Å²	95.5	47%	0.47	53%	0.529	S	S	.	.	H	α-helix	trans	-76.2	-41.8	172.3	-100.2	176.3	174.1	174.3	0	112.1	E493 A498 S499 E500	E493-K496 WeakPolarHBondContact O-CA 3.41Å; E493-K496 WeakPolarHBondContact O-CB 3.39Å; E493-K496 PolarHBondContact O-N 3.42Å; K496-A498 VanDerWaalsContact C-N 3.33Å; K496-A498 PolarHBondContact O-N 2.76Å; K496-S499 PolarHBondContact O-N 3.37Å; K496-S499 PolarHBondContact O-OG 2.82Å; K496-E500 PolarHBondContact O-N 2.97Å
497	W	27.2	Very low	29.3	Very low	182 Å²	182	102.8 Å²	102.8	69%	0.689	55%	0.553	S	S	*	*	H	α-helix	trans	-69.7	-28.9	179.9	-74.7	77.8	0	0	0	113.2	E493 S499 S501	E493-W497 PolarHBondContact O-N 2.97Å; W497-S499 VanDerWaalsContact C-N 3.34Å; W497-S501 PolarHBondContact O-OG 3.24Å
498	A	26.2	Very low	28.6	Very low	77 Å²	77	106.5 Å²	106.5	64%	0.636	57%	0.572	S	S	*	*	H	α-helix	trans	-77.2	-14.7	175.9	0	0	0	0	0	114.5	E494 K496	E494-A498 WeakPolarHBondContact O-CB 3.41Å; E494-A498 PolarHBondContact O-N 3Å; K496-A498 VanDerWaalsContact C-N 3.33Å; K496-A498 PolarHBondContact O-N 2.76Å
499	S	29.2	Very low	27.9	Very low	82 Å²	82	110.8 Å²	110.8	57%	0.573	59%	0.587	S	S	*	*	H	α-helix	trans	-100.4	-12.4	178.3	50.7	0	0	0	0	113.7	V495 K496 W497	V495-S499 PolarHBondContact O-OG 3.26Å; V495-S499 VanDerWaalsContact O-OG 3.1Å; K496-S499 PolarHBondContact O-N 3.37Å; K496-S499 PolarHBondContact O-OG 2.82Å; W497-S499 VanDerWaalsContact C-N 3.34Å
500	E	29.2	Very low	27.2	Very low	140 Å²	140	114.5 Å²	114.5	65%	0.654	60%	0.599	S	S	*	*	H	α-helix	trans	-101.8	-11.7	178.2	-72.5	-179.8	165.6	0	0	113.9	K496 S502	K496-E500 PolarHBondContact O-N 2.97Å; E500-S502 VanDerWaalsContact C-N 3.31Å; E500-S502 PolarHBondContact O-N 3.03Å
501	S	30.1	Very low	26.8	Very low	77 Å²	77	121.9 Å²	121.9	54%	0.538	63%	0.626	S	S	.	*			trans	-81.9	7.8	-176.5	61.1	0	0	0	0	115.8	W497 S503	W497-S501 PolarHBondContact O-OG 3.24Å; S501-S503 PolarHBondContact O-N 3.09Å
502	S	27.3	Very low	26.4	Very low	111 Å²	111	125.1 Å²	125.1	78%	0.776	64%	0.643	S	S	*	*	S	Bend	trans	-92	19.6	-177.5	66.3	0	0	0	0	115	E500	E500-S502 VanDerWaalsContact C-N 3.31Å; E500-S502 PolarHBondContact O-N 3.03Å
503	S	25.5	Very low	26	Very low	62 Å²	62	124.9 Å²	124.9	43%	0.434	65%	0.648	S	S	.	*			trans	-147.7	49.6	-176.3	62.2	0	0	0	0	114.7	C434 S501	C434-S503 WeakPolarHBondContact SG-CB 3.4Å; C434-S503 PolarHBondContact SG-OG 3.49Å; S501-S503 PolarHBondContact O-N 3.09Å
504	F	24.4	Very low	25.8	Very low	177 Å²	177	129.1 Å²	129.1	78%	0.776	66%	0.66	S	S	*	*			trans	-87	122.7	163.4	-86.3	-87.1	0	0	0	110.3	V506	F504-V506 PolarHBondContact O-N 2.89Å
505	P	23.5	Very low	25.6	Very low	115 Å²	115	132 Å²	132	75%	0.747	68%	0.679	S	S	*	*			trans	-68.4	100.5	162.9	28.2	-29	0	0	0	107.4	R507	P505-R507 PolarHBondContact O-N 3.47Å
506	V	23	Very low	25.9	Very low	115 Å²	115	137.2 Å²	137.2	70%	0.697	71%	0.711	S	S	*	*			trans	-60.9	99.2	166.5	-170.8	0	0	0	0	107.1	F504 I508	F504-V506 PolarHBondContact O-N 2.89Å; V506-I508 HydrophobicContact CB-CG1 4.23Å; V506-I508 HydrophobicContact CG1-CB 4.5Å; V506-I508 HydrophobicContact CG1-CD1 4.22Å; V506-I508 HydrophobicContact CG1-CG1 3.35Å; V506-I508 PolarHBondContact O-N 3.29Å
507	R	22.2	Very low	25.7	Very low	214 Å²	214	138.7 Å²	138.7	81%	0.808	72%	0.723	S	S	*	*			trans	-74.5	87.3	157.7	-81.7	-172	176.9	-178.4	-0.2	106.8	P505 F509	P505-R507 PolarHBondContact O-N 3.47Å; R507-F509 HydrophobicContact CB-CD2 4.47Å; R507-F509 HydrophobicContact CB-CE2 4.26Å; R507-F509 PolarHBondContact O-N 2.81Å; R507-F509 VanDerWaalsContact O-N 3.08Å
508	I	22.8	Very low	25.6	Very low	108 Å²	108	136.4 Å²	136.4	55%	0.554	73%	0.725	S	S	*	*			trans	-65.6	102.9	164.4	-53.4	176.4	0	0	0	106	V506 F510	V506-I508 HydrophobicContact CB-CG1 4.23Å; V506-I508 HydrophobicContact CG1-CB 4.5Å; V506-I508 HydrophobicContact CG1-CD1 4.22Å; V506-I508 HydrophobicContact CG1-CG1 3.35Å; V506-I508 PolarHBondContact O-N 3.29Å; I508-F510 HydrophobicContact CB-CD2 4.25Å; I508-F510 HydrophobicContact CB-CE2 4.07Å; I508-F510 HydrophobicContact CD1-CE2 4.45Å; I508-F510 HydrophobicContact CG2-CD1 4.44Å; I508-F510 HydrophobicContact CG2-CD2 3.52Å; I508-F510 HydrophobicContact CG2-CE1 4.33Å; I508-F510 HydrophobicContact CG2-CE2 3.4Å; I508-F510 VanDerWaalsContact CG2-CE2 3.4Å; I508-F510 HydrophobicContact CG2-CG 4.06Å; I508-F510 HydrophobicContact CG2-CZ 3.84Å; I508-F510 PolarHBondContact O-N 2.97Å
509	F	23.2	Very low	25.6	Very low	164 Å²	164	139.7 Å²	139.7	72%	0.719	73%	0.729	S	S	*	*			trans	-78.2	99.7	159.5	-78.6	-85.2	0	0	0	106.9	R507 F511	R507-F509 HydrophobicContact CB-CD2 4.47Å; R507-F509 HydrophobicContact CB-CE2 4.26Å; R507-F509 PolarHBondContact O-N 2.81Å; R507-F509 VanDerWaalsContact O-N 3.08Å; F509-F511 PolarHBondContact O-N 3.22Å; F509-F511 VanDerWaalsContact O-N 3.16Å
510	F	22.5	Very low	25.4	Very low	166 Å²	166	143.1 Å²	143.1	73%	0.728	74%	0.739	S	S	*	*			trans	-70	101.5	162	-75.9	-84.4	0	0	0	107.6	I508 V512	I508-F510 HydrophobicContact CB-CD2 4.25Å; I508-F510 HydrophobicContact CB-CE2 4.07Å; I508-F510 HydrophobicContact CD1-CE2 4.45Å; I508-F510 HydrophobicContact CG2-CD1 4.44Å; I508-F510 HydrophobicContact CG2-CD2 3.52Å; I508-F510 HydrophobicContact CG2-CE1 4.33Å; I508-F510 HydrophobicContact CG2-CE2 3.4Å; I508-F510 VanDerWaalsContact CG2-CE2 3.4Å; I508-F510 HydrophobicContact CG2-CG 4.06Å; I508-F510 HydrophobicContact CG2-CZ 3.84Å; I508-F510 PolarHBondContact O-N 2.97Å; F510-V512 VanDerWaalsContact C-N 3.34Å; F510-V512 HydrophobicContact CB-CG2 4.46Å; F510-V512 PolarHBondContact O-N 2.97Å
511	F	23.7	Very low	25.2	Very low	198 Å²	198	143.3 Å²	143.3	87%	0.868	74%	0.744	S	S	*	*			trans	-77.5	94.8	155.7	-101.5	-88.1	0	0	0	106.9	F509 P513	F509-F511 PolarHBondContact O-N 3.22Å; F509-F511 VanDerWaalsContact O-N 3.16Å; F511-P513 WeakPolarHBondContact O-CD 3.44Å
512	V	23.2	Very low	24.8	Very low	93 Å²	93	147.7 Å²	147.7	56%	0.564	76%	0.758	S	S	*	*			trans	-73.9	117.8	161.6	178.4	0	0	0	0	106.1	F510 Y514	F510-V512 VanDerWaalsContact C-N 3.34Å; F510-V512 HydrophobicContact CB-CG2 4.46Å; F510-V512 PolarHBondContact O-N 2.97Å; V512-Y514 HydrophobicContact CG1-CD2 4.38Å; V512-Y514 HydrophobicContact CG1-CE2 4.5Å; V512-Y514 PolarHBondContact O-N 2.86Å
513	P	24.6	Very low	24.7	Very low	110 Å²	110	150.3 Å²	150.3	71%	0.714	76%	0.756	S	S	*	*			trans	-69.2	115	166	29.3	-27.5	0	0	0	106.3	F511 D515	F511-P513 WeakPolarHBondContact O-CD 3.44Å; P513-D515 PolarHBondContact O-N 3.02Å
514	Y	26.5	Very low	24.6	Very low	212 Å²	212	157.1 Å²	157.1	83%	0.831	78%	0.781	S	S	*	*			trans	-78.2	115.3	163.6	-100.3	-87.9	0	0	0	107.3	V512 T516	V512-Y514 HydrophobicContact CG1-CD2 4.38Å; V512-Y514 HydrophobicContact CG1-CE2 4.5Å; V512-Y514 PolarHBondContact O-N 2.86Å; Y514-T516 PolarHBondContact O-N 3.36Å
515	D	26.2	Very low	24.6	Very low	155 Å²	155	155.4 Å²	155.4	83%	0.829	78%	0.782	S	S	*	*			trans	-56.8	119.5	164.2	-76.8	-41.6	0	0	0	110	P513	P513-D515 PolarHBondContact O-N 3.02Å
516	T	34.3	Very low	24.7	Very low	215 Å²	215	159.1 Å²	159.1	100%	1.319	79%	0.785	S	S	*	*			trans	-160.3	0	139.7	37.5	0	0	0	0	109.1	Y514	Y514-T516 PolarHBondContact O-N 3.36Å

Retrieved 516 of 516 residues in 218.8 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).