A0A077YYA6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YYA6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 680 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	31.5	Very low	239 Å²	239	138.4 Å²	138.4	100%	1.177	82%	0.818	S	S	*	*				0	5	0	-103.4	174.5	177.9	0	0	114.1
2	Q	36.6	Very low	31.3	Very low	174 Å²	174	142.3 Å²	142.3	81%	0.813	82%	0.817	S	S	*	*	G	3₁₀ helix	trans	-83.3	-13.6	178.9	-82.3	168.1	-26.9	0	0	115.2	A4 S5	Q2-A4 PolarHBondContact O-N 2.86Å; Q2-S5 PolarHBondContact O-N 3.13Å
3	C	40	Very low	31.1	Very low	84 Å²	84	144.9 Å²	144.9	57%	0.568	83%	0.825	S	S	*	*	G	3₁₀ helix	trans	-66.7	-9.6	179.4	-55	0	0	0	0	114.8
4	A	33.9	Very low	30.7	Very low	89 Å²	89	146.7 Å²	146.7	74%	0.736	83%	0.826	S	S	*	*	G	3₁₀ helix	trans	-87	-2.2	-180	0	0	0	0	0	114.3	Q2	Q2-A4 PolarHBondContact O-N 2.86Å
5	S	30.6	Very low	30.5	Very low	110 Å²	110	148.4 Å²	148.4	77%	0.769	83%	0.825	S	S	*	*	S	Bend	trans	-82.4	-18.5	-180	-173.6	0	0	0	0	113.9	Q2 K7	Q2-S5 PolarHBondContact O-N 3.13Å; S5-K7 PolarHBondContact O-N 2.89Å
6	A	31.3	Very low	30.1	Very low	103 Å²	103	153.6 Å²	153.6	85%	0.851	83%	0.83	S	S	*	*			trans	-83.1	62.7	176	0	0	0	0	0	111.2
7	K	29.3	Very low	30	Very low	167 Å²	167	154.4 Å²	154.4	73%	0.726	83%	0.834	S	S	*	*			trans	-112.2	124.9	169.4	-139.9	-179.6	-175.3	179.2	0	108.5	S5	S5-K7 PolarHBondContact O-N 2.89Å
8	F	27.9	Very low	29.8	Very low	198 Å²	198	149.2 Å²	149.2	87%	0.868	82%	0.823	S	S	*	*	S	Bend	trans	83.2	85.4	172.9	-66.9	-83.3	0	0	0	117.6
9	G	29.5	Very low	29.6	Very low	81 Å²	81	153.8 Å²	153.8	84%	0.835	83%	0.827	S	S	*	*			trans	-170.3	23.5	160.2	0	0	0	0	0	113.8	E11	G9-E11 PolarHBondContact O-N 3.41Å
10	A	26.9	Very low	29.5	Very low	101 Å²	101	153.3 Å²	153.3	84%	0.835	83%	0.828	S	S	*	*			trans	-84.8	100.7	169.1	0	0	0	0	0	108.2
11	E	28.3	Very low	29.3	Very low	176 Å²	176	150.9 Å²	150.9	82%	0.822	82%	0.821	S	S	*	*			trans	-170.9	118.6	141.5	-108.9	175.9	-176.1	0	0	111.8	G9	G9-E11 PolarHBondContact O-N 3.41Å
12	K	29.6	Very low	29	Very low	186 Å²	186	148.3 Å²	148.3	81%	0.809	80%	0.803	S	S	*	*			trans	66.4	107.4	157.2	-68.4	173.3	176.2	167.3	0	118.4
13	L	28	Very low	28.4	Very low	176 Å²	176	147.3 Å²	147.3	92%	0.921	80%	0.802	S	S	*	*				-162.1	99.6	108.6	-100.9	155.6	0	0	0	110.1
14	M	25.6	Very low	27.6	Very low	170 Å²	170	150.7 Å²	150.7	84%	0.837	81%	0.809	S	S	*	*			trans	-62.4	155.3	159.4	-80.5	-174.8	168.3	0	0	110.6
15	Q	27.8	Very low	27.1	Very low	172 Å²	172	150.5 Å²	150.5	80%	0.804	80%	0.803	S	S	*	*			trans	76.2	94.1	161.6	-67.9	176.4	2.4	0	0	117.5
16	Y	24.8	Very low	26.8	Very low	231 Å²	231	151.6 Å²	151.6	91%	0.906	80%	0.804	S	S	*	*			trans	-129.9	89.2	142.2	-111.7	-91.1	0	0	0	109.5
17	N	28.3	Very low	26.5	Very low	167 Å²	167	154.1 Å²	154.1	89%	0.893	80%	0.801	S	S	*	*			trans	-81.6	114.1	156	-88.7	-28.1	0	0	0	106.7
18	G	26.4	Very low	26.4	Very low	62 Å²	62	155 Å²	155	64%	0.639	81%	0.81	S	S	*	*			trans	169.7	85.9	173.2	0	0	0	0	0	115.3
19	R	26.3	Very low	26.3	Very low	237 Å²	237	156 Å²	156	89%	0.894	81%	0.807	S	S	*	*			trans	52.5	96.2	153.8	-61.7	-178.2	-169.6	-171.1	2.5	116.2	P21	R19-P21 WeakPolarHBondContact O-CD 3.36Å
20	V	27.4	Very low	26.2	Very low	142 Å²	142	159.3 Å²	159.3	86%	0.861	80%	0.801	S	S	*	*			trans	-48.2	120.1	153.1	179.6	0	0	0	0	108.1	K22	V20-K22 PolarHBondContact O-N 2.91Å
21	P	24.9	Very low	26.3	Very low	104 Å²	104	160.2 Å²	160.2	68%	0.675	80%	0.802	S	S	*	*			trans	-63.2	123.1	173.6	-14.3	27.7	0	0	0	107.8	R19 I23	R19-P21 WeakPolarHBondContact O-CD 3.36Å; P21-I23 VanDerWaalsContact C-N 3.29Å; P21-I23 PolarHBondContact O-N 3.36Å
22	K	25.5	Very low	26.5	Very low	184 Å²	184	157 Å²	157	80%	0.8	79%	0.789	S	S	*	*			trans	-59.1	99.2	162.6	-129.9	-179.2	-179.3	-172.2	0	105.6	V20 E24	V20-K22 PolarHBondContact O-N 2.91Å; K22-E24 PolarHBondContact O-N 2.87Å
23	I	23.8	Very low	26.5	Very low	153 Å²	153	159.2 Å²	159.2	79%	0.785	79%	0.792	S	S	*	*			trans	-70.7	88.8	165.5	-59.3	174.9	0	0	0	103.9	P21 S25	P21-I23 VanDerWaalsContact C-N 3.29Å; P21-I23 PolarHBondContact O-N 3.36Å; I23-S25 PolarHBondContact O-N 3.23Å
24	E	22.8	Very low	26.6	Very low	155 Å²	155	157.8 Å²	157.8	72%	0.724	78%	0.78	S	S	*	*			trans	-61.4	93.2	157.5	-74.9	179.6	171.8	0	0	104.9	K22 V26	K22-E24 PolarHBondContact O-N 2.87Å; E24-V26 PolarHBondContact O-N 2.84Å
25	S	24.1	Very low	26.8	Very low	86 Å²	86	153 Å²	153	60%	0.601	78%	0.775	S	S	*	*			trans	-53.7	103.6	159.4	56.6	0	0	0	0	105	I23 M27	I23-S25 PolarHBondContact O-N 3.23Å; S25-M27 PolarHBondContact O-N 3.28Å
26	V	24.4	Very low	27.3	Very low	133 Å²	133	148.1 Å²	148.1	81%	0.806	76%	0.757	S	S	*	*			trans	-59.6	85.8	161.9	178.1	0	0	0	0	104.2	E24 M28	E24-V26 PolarHBondContact O-N 2.84Å; V26-M28 PolarHBondContact O-N 3.11Å
27	M	24.7	Very low	28	Very low	156 Å²	156	141.6 Å²	141.6	77%	0.768	74%	0.741	S	S	*	*			trans	-54.2	112.3	166.4	-82.1	-165.6	-90.1	0	0	104.4	S25 R29	S25-M27 PolarHBondContact O-N 3.28Å; M27-R29 PolarHBondContact O-N 3.47Å
28	M	26.8	Very low	28.5	Very low	186 Å²	186	137.1 Å²	137.1	92%	0.916	71%	0.713	S	S	*	*			trans	-60.2	86	169.2	-68	-172.9	-160.5	0	0	106.9	V26	V26-M28 PolarHBondContact O-N 3.11Å
29	R	26.7	Very low	29.1	Very low	217 Å²	217	138.5 Å²	138.5	82%	0.819	71%	0.712	S	S	*	*			trans	-59.6	138.8	162.5	-83.4	-175.8	178	-172.2	-1.1	106.8	M27	M27-R29 PolarHBondContact O-N 3.47Å
30	E	27.5	Very low	29.7	Very low	152 Å²	152	130 Å²	130	71%	0.71	69%	0.687	S	S	*	*			trans	76.9	67.9	162.1	-61.6	167	-156.7	0	0	116.4	I32	E30-I32 HydrophobicContact CB-CD1 4.26Å; E30-I32 HydrophobicContact CB-CG1 4.12Å; E30-I32 HydrophobicContact CG-CD1 4.48Å; E30-I32 PolarHBondContact O-N 3.01Å
31	S	28	Very low	30.2	Very low	120 Å²	120	128.3 Å²	128.3	84%	0.839	68%	0.676	S	S	*	*			trans	-74.4	68.3	146.8	44.4	0	0	0	0	109.8	W33	S31-W33 PolarHBondContact O-N 3.46Å
32	I	32.2	Very low	31	Very low	108 Å²	108	132.1 Å²	132.1	55%	0.554	68%	0.678	S	S	*	*			trans	-65.7	125.2	161.1	-61.5	170.4	0	0	0	105.9	E30 H34	E30-I32 HydrophobicContact CB-CD1 4.26Å; E30-I32 HydrophobicContact CB-CG1 4.12Å; E30-I32 HydrophobicContact CG-CD1 4.48Å; E30-I32 PolarHBondContact O-N 3.01Å; I32-H34 PolarHBondContact O-N 3.3Å; I32-H34 PolarHBondContact O-ND1 3.41Å
33	W	30.9	Very low	31.6	Very low	233 Å²	233	132.8 Å²	132.8	88%	0.883	68%	0.68	S	S	*	*			trans	-44.3	108.3	175.1	-68.8	79	0	0	0	110.8	S31	S31-W33 PolarHBondContact O-N 3.46Å
34	H	29	Very low	32.4	Very low	145 Å²	145	127.6 Å²	127.6	67%	0.671	66%	0.66	S	S	*	*			trans	-102.1	105.9	171.8	-77.6	-2.1	0	0	0	108.5	I32 T36	I32-H34 PolarHBondContact O-N 3.3Å; I32-H34 PolarHBondContact O-ND1 3.41Å; H34-T36 PolarHBondContact O-N 3.04Å
35	G	31.5	Very low	33.5	Very low	71 Å²	71	130.6 Å²	130.6	73%	0.732	67%	0.671	S	S	*	*			trans	-77.1	106.9	164.7	0	0	0	0	0	109.1
36	T	37.8	Very low	34.5	Very low	69 Å²	69	130.4 Å²	130.4	42%	0.423	66%	0.663	S	S	.	*	P	Polyproline II helix	trans	-91.4	123.3	175.2	-46.7	0	0	0	0	109.5	H34 Y38	H34-T36 PolarHBondContact O-N 3.04Å; T36-Y38 HydrophobicContact CG2-CD2 4.18Å; T36-Y38 HydrophobicContact CG2-CE1 4.38Å; T36-Y38 HydrophobicContact CG2-CE2 3.51Å
37	T	38.8	Very low	35.1	Very low	93 Å²	93	129.9 Å²	129.9	57%	0.571	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-102.6	117.1	178.4	-56.4	0	0	0	0	109.5
38	Y	38.4	Very low	35.9	Very low	74 Å²	74	126.1 Å²	126.1	29%	0.29	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-98.6	127.8	176.9	-64.4	-94.8	0	0	0	110.3	T36 D57	T36-Y38 HydrophobicContact CG2-CD2 4.18Å; T36-Y38 HydrophobicContact CG2-CE1 4.38Å; T36-Y38 HydrophobicContact CG2-CE2 3.51Å; Y38-D57 PolarHBondContact OH-OD2 3.34Å
39	S	38.8	Very low	36.6	Very low	90 Å²	90	122.4 Å²	122.4	63%	0.629	62%	0.621	S	S	*	*			trans	-99.3	102.8	174.2	-68.6	0	0	0	0	109.6
40	V	39.1	Very low	37.5	Very low	60 Å²	60	113.5 Å²	113.5	36%	0.364	59%	0.594	S	S	.	*			trans	-91.6	116.5	177.1	-173.2	0	0	0	0	108.8
41	T	39.1	Very low	38.2	Very low	105 Å²	105	110.8 Å²	110.8	64%	0.644	58%	0.584	S	S	*	*			trans	-89.9	132.3	171.4	54.9	0	0	0	0	109.3	K43 A44	T41-K43 PolarHBondContact O-N 2.95Å; T41-A44 PolarHBondContact O-N 3.19Å
42	R	40	Very low	38.8	Very low	185 Å²	185	110.1 Å²	110.1	70%	0.698	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-4.9	-173.9	-144.8	-179.1	-164.3	-179.1	3.6	114.7
43	K	39.7	Very low	39.4	Very low	198 Å²	198	108.1 Å²	108.1	86%	0.861	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-1.7	178.3	-81.5	-170.3	178.5	177.6	0	114.5	T41 K45	T41-K43 PolarHBondContact O-N 2.95Å; K43-K45 PolarHBondContact O-N 3.09Å
44	A	39.2	Very low	40.1	Very low	43 Å²	43	98.3 Å²	98.3	36%	0.355	53%	0.528	S	S	.	.			trans	-63.5	106.5	163.2	0	0	0	0	0	107.7	T41 D46	T41-A44 PolarHBondContact O-N 3.19Å; A44-D46 PolarHBondContact O-N 3.48Å
45	K	47.3	Very low	40.7	Very low	218 Å²	218	95.8 Å²	95.8	95%	0.948	52%	0.522	S	S	*	.	S	Bend	trans	-59.6	-11.7	-178	-128.1	-179.7	-177.7	-175.4	0	112.9	K43	K43-K45 PolarHBondContact O-N 3.09Å
46	D	43.6	Very low	41.3	Very low	82 Å²	82	100.7 Å²	100.7	44%	0.439	53%	0.526	S	S	.	.			trans	-134	96.3	175.3	-135.9	-35.6	0	0	0	109.2	A44 T48 L49	A44-D46 PolarHBondContact O-N 3.48Å; D46-T48 PolarHBondContact O-N 3.21Å; D46-T48 VanDerWaalsContact OD1-CB 3.31Å; D46-T48 WeakPolarHBondContact OD1-CB 3.38Å; D46-T48 PolarHBondContact OD1-OG1 2.97Å; D46-L49 HydrophobicContact CB-CB 4.42Å; D46-L49 HydrophobicContact CB-CD1 3.98Å; D46-L49 HydrophobicContact CB-CG 4.23Å; D46-L49 PolarHBondContact O-N 3.08Å
47	Q	38.5	Very low	41.5	Very low	122 Å²	122	102.6 Å²	102.6	57%	0.57	53%	0.534	S	S	*	.	H	α-helix	trans	-60.4	-23.1	174.2	-68.8	177.3	-4.7	0	0	111.3	A50 L51	Q47-A50 PolarHBondContact O-N 3.28Å; Q47-L51 WeakPolarHBondContact O-CG 3.42Å; Q47-L51 PolarHBondContact O-N 3.41Å; Q47-L51 VanDerWaalsContact O-N 3.07Å
48	T	40.5	Very low	41.8	Very low	78 Å²	78	103.9 Å²	103.9	48%	0.479	53%	0.532	S	S	.	.	H	α-helix	trans	-61.1	-47.8	176.4	-30.1	0	0	0	0	111.9	D46 A50 L51 E52	D46-T48 PolarHBondContact O-N 3.21Å; D46-T48 VanDerWaalsContact OD1-CB 3.31Å; D46-T48 WeakPolarHBondContact OD1-CB 3.38Å; D46-T48 PolarHBondContact OD1-OG1 2.97Å; T48-A50 VanDerWaalsContact C-N 3.35Å; T48-A50 PolarHBondContact O-N 2.89Å; T48-L51 CarbonylContact O-C 3.56Å; T48-L51 PolarHBondContact O-N 3.41Å; T48-L51 VanDerWaalsContact O-N 3.17Å; T48-E52 WeakPolarHBondContact O-CG 3.11Å; T48-E52 PolarHBondContact O-N 3.02Å
49	L	42.5	Very low	41.7	Very low	107 Å²	107	104.5 Å²	104.5	56%	0.56	56%	0.561	S	S	*	*	H	α-helix	trans	-66.7	-35.9	179.9	-75.7	169.4	0	0	0	112.5	D46 L51 E52 S53	D46-L49 HydrophobicContact CB-CB 4.42Å; D46-L49 HydrophobicContact CB-CD1 3.98Å; D46-L49 HydrophobicContact CB-CG 4.23Å; D46-L49 PolarHBondContact O-N 3.08Å; L49-L51 VanDerWaalsContact C-N 3.32Å; L49-E52 PolarHBondContact O-N 2.96Å; L49-S53 PolarHBondContact O-N 3.4Å; L49-S53 VanDerWaalsContact O-N 3.12Å
50	A	45.7	Very low	41.4	Very low	31 Å²	31	102.3 Å²	102.3	26%	0.256	55%	0.552	S	S	.	*	H	α-helix	trans	-66.4	-38.3	175	0	0	0	0	0	111	Q47 T48 I54	Q47-A50 PolarHBondContact O-N 3.28Å; T48-A50 VanDerWaalsContact C-N 3.35Å; T48-A50 PolarHBondContact O-N 2.89Å; A50-I54 WeakPolarHBondContact O-CD1 3.32Å; A50-I54 WeakPolarHBondContact O-CG1 3.38Å; A50-I54 PolarHBondContact O-N 2.85Å
51	L	40.8	Very low	41.2	Very low	94 Å²	94	111.2 Å²	111.2	49%	0.492	58%	0.579	S	S	.	*	H	α-helix	trans	-71.4	-36.1	174.8	-75.3	164.6	0	0	0	112.1	Q47 T48 L49 I54 V55	Q47-L51 WeakPolarHBondContact O-CG 3.42Å; Q47-L51 PolarHBondContact O-N 3.41Å; Q47-L51 VanDerWaalsContact O-N 3.07Å; T48-L51 CarbonylContact O-C 3.56Å; T48-L51 PolarHBondContact O-N 3.41Å; T48-L51 VanDerWaalsContact O-N 3.17Å; L49-L51 VanDerWaalsContact C-N 3.32Å; L51-I54 CarbonylContact O-C 3.59Å; L51-I54 PolarHBondContact O-N 3.44Å; L51-I54 VanDerWaalsContact O-N 3.16Å; L51-V55 WeakPolarHBondContact O-CB 3.31Å; L51-V55 WeakPolarHBondContact O-CG2 3.5Å; L51-V55 PolarHBondContact O-N 3.18Å
52	E	41.4	Very low	40.9	Very low	106 Å²	106	112.9 Å²	112.9	50%	0.495	58%	0.58	S	S	.	*	H	α-helix	trans	-61.8	-44.4	175.8	-78.5	176.3	173.1	0	0	112.2	T48 L49 I54 V55 E56	T48-E52 WeakPolarHBondContact O-CG 3.11Å; T48-E52 PolarHBondContact O-N 3.02Å; L49-E52 PolarHBondContact O-N 2.96Å; E52-I54 PolarHBondContact O-N 2.86Å; E52-V55 WeakPolarHBondContact O-CA 3.24Å; E52-V55 PolarHBondContact O-N 3.18Å; E52-V55 VanDerWaalsContact O-N 3.09Å; E52-E56 PolarHBondContact O-N 3.05Å
53	S	45.2	Very low	40.6	Very low	67 Å²	67	113.5 Å²	113.5	47%	0.469	58%	0.582	S	S	.	*	H	α-helix	trans	-61.4	-33.8	173.6	165.6	0	0	0	0	112.6	L49	L49-S53 PolarHBondContact O-N 3.4Å; L49-S53 VanDerWaalsContact O-N 3.12Å
54	I	44.5	Very low	40.3	Very low	27 Å²	27	113 Å²	113	14%	0.138	58%	0.58	C	S	.	*	H	α-helix	trans	-71.5	-45.4	175.1	-58.5	164.7	0	0	0	107.9	A50 L51 E52 E56 D57 F58	A50-I54 WeakPolarHBondContact O-CD1 3.32Å; A50-I54 WeakPolarHBondContact O-CG1 3.38Å; A50-I54 PolarHBondContact O-N 2.85Å; L51-I54 CarbonylContact O-C 3.59Å; L51-I54 PolarHBondContact O-N 3.44Å; L51-I54 VanDerWaalsContact O-N 3.16Å; E52-I54 PolarHBondContact O-N 2.86Å; I54-E56 PolarHBondContact O-N 3.01Å; I54-D57 PolarHBondContact O-N 3.1Å; I54-F58 VanDerWaalsContact C-CD2 3.41Å; I54-F58 HydrophobicContact CB-CE2 4.05Å; I54-F58 HydrophobicContact CG2-CD2 4.26Å; I54-F58 HydrophobicContact CG2-CE2 3.17Å; I54-F58 HydrophobicContact CG2-CZ 3.48Å; I54-F58 VanDerWaalsContact CG2-CZ 3.48Å; I54-F58 WeakPolarHBondContact O-CD2 3.21Å; I54-F58 WeakPolarHBondContact O-CE2 3.39Å
55	V	41.5	Very low	40.1	Very low	92 Å²	92	114 Å²	114	56%	0.558	58%	0.582	S	S	*	*	H	α-helix	trans	-57.5	-43.4	179.8	172.3	0	0	0	0	113	L51 E52 D57 F58	L51-V55 WeakPolarHBondContact O-CB 3.31Å; L51-V55 WeakPolarHBondContact O-CG2 3.5Å; L51-V55 PolarHBondContact O-N 3.18Å; E52-V55 WeakPolarHBondContact O-CA 3.24Å; E52-V55 PolarHBondContact O-N 3.18Å; E52-V55 VanDerWaalsContact O-N 3.09Å; V55-D57 PolarHBondContact O-N 3.38Å; V55-F58 VanDerWaalsContact CA-CD2 3.4Å; V55-F58 PolarHBondContact O-N 2.9Å; V55-F58 VanDerWaalsContact O-N 3.11Å
56	E	44.5	Very low	39.3	Very low	173 Å²	173	107.1 Å²	107.1	81%	0.808	56%	0.558	S	S	*	*	H	α-helix	trans	-62.9	-26.9	179.2	-76	-177	167.7	0	0	113.2	E52 I54	E52-E56 PolarHBondContact O-N 3.05Å; I54-E56 PolarHBondContact O-N 3.01Å
57	D	41.5	Very low	38.7	Very low	109 Å²	109	108.5 Å²	108.5	58%	0.583	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-8.6	176.5	-83.4	-13.8	0	0	0	113.6	Y38 I54 V55 G59	Y38-D57 PolarHBondContact OH-OD2 3.34Å; I54-D57 PolarHBondContact O-N 3.1Å; V55-D57 PolarHBondContact O-N 3.38Å; D57-G59 PolarHBondContact O-N 3.3Å
58	F	46	Very low	38.2	Very low	121 Å²	121	111.4 Å²	111.4	53%	0.531	57%	0.57	S	S	.	*			trans	-84.7	59.5	-174.2	-71.8	-92.9	0	0	0	115.4	I54 V55 G60 V65	I54-F58 VanDerWaalsContact C-CD2 3.41Å; I54-F58 HydrophobicContact CB-CE2 4.05Å; I54-F58 HydrophobicContact CG2-CD2 4.26Å; I54-F58 HydrophobicContact CG2-CE2 3.17Å; I54-F58 HydrophobicContact CG2-CZ 3.48Å; I54-F58 VanDerWaalsContact CG2-CZ 3.48Å; I54-F58 WeakPolarHBondContact O-CD2 3.21Å; I54-F58 WeakPolarHBondContact O-CE2 3.39Å; V55-F58 VanDerWaalsContact CA-CD2 3.4Å; V55-F58 PolarHBondContact O-N 2.9Å; V55-F58 VanDerWaalsContact O-N 3.11Å; F58-G60 VanDerWaalsContact C-N 3.26Å; F58-G60 PolarHBondContact O-N 2.86Å; F58-V65 HydrophobicContact CE1-CG2 4.42Å
59	G	35.8	Very low	37.8	Very low	87 Å²	87	114.5 Å²	114.5	90%	0.897	58%	0.582	S	S	*	*			trans	-77.2	17.2	171.1	0	0	0	0	0	116.7	D57	D57-G59 PolarHBondContact O-N 3.3Å
60	G	32.9	Very low	37.3	Very low	44 Å²	44	119.4 Å²	119.4	45%	0.454	59%	0.593	S	S	.	*			trans	-172	133	-178.2	0	0	0	0	0	116.5	F58 H62	F58-G60 VanDerWaalsContact C-N 3.26Å; F58-G60 PolarHBondContact O-N 2.86Å; G60-H62 VanDerWaalsContact C-N 3.29Å; G60-H62 PolarHBondContact O-N 3.16Å; G60-H62 VanDerWaalsContact O-N 3.09Å
61	W	35.2	Very low	36.7	Very low	246 Å²	246	121.6 Å²	121.6	93%	0.932	61%	0.605	S	S	*	*	S	Bend	trans	-74.4	11.4	-166.4	-70.8	85.4	0	0	0	117.3
62	H	32.6	Very low	36.9	Very low	141 Å²	141	119.1 Å²	119.1	65%	0.653	60%	0.595	S	S	*	*			trans	-138.3	58.6	-175.6	-61.4	-52.7	0	0	0	114.3	G60 K518	G60-H62 VanDerWaalsContact C-N 3.29Å; G60-H62 PolarHBondContact O-N 3.16Å; G60-H62 VanDerWaalsContact O-N 3.09Å; H62-K518 PolarHBondContact NE2-NZ 3.3Å
63	R	33.7	Very low	37.7	Very low	198 Å²	198	121.1 Å²	121.1	75%	0.747	60%	0.604	S	S	*	*			trans	-127.5	131.4	169	-68.8	-174.2	179.6	-179.7	1	111.6
64	K	33.5	Very low	37.9	Very low	188 Å²	188	119.9 Å²	119.9	82%	0.817	60%	0.598	S	S	*	*			trans	-81.3	116	176.1	-174	175.9	-177	172.6	0	110
65	V	34.8	Very low	37.9	Very low	64 Å²	64	121.7 Å²	121.7	39%	0.388	61%	0.608	S	S	.	*			trans	-103.9	132.3	179.1	-177.9	0	0	0	0	109.6	F58 I67	F58-V65 HydrophobicContact CE1-CG2 4.42Å; V65-I67 HydrophobicContact CG1-CG1 4.02Å
66	T	31	Very low	38.4	Very low	73 Å²	73	121 Å²	121	45%	0.448	60%	0.599	S	S	.	*			trans	-113.5	110.2	172.5	-55	0	0	0	0	109.2
67	I	30.3	Very low	39.2	Very low	111 Å²	111	119.8 Å²	119.8	57%	0.569	59%	0.586	S	S	*	*			trans	-93.7	116.5	177.6	-56.3	175.7	0	0	0	107.9	V65 I69	V65-I67 HydrophobicContact CG1-CG1 4.02Å; I67-I69 HydrophobicContact CG2-CG1 4.39Å
68	R	28.9	Very low	39.7	Very low	182 Å²	182	119.3 Å²	119.3	69%	0.687	58%	0.583	S	S	*	*			trans	-103.6	108.3	173.5	-78.5	-173.5	177.7	175.7	-0	110.1	R70	R68-R70 PolarHBondContact O-N 3.28Å
69	I	31.3	Very low	39.9	Very low	144 Å²	144	120.2 Å²	120.2	74%	0.738	58%	0.583	S	S	*	*			trans	-80.8	108.9	171.7	-55.9	174	0	0	0	107.1	I67	I67-I69 HydrophobicContact CG2-CG1 4.39Å
70	R	32.5	Very low	41.3	Very low	210 Å²	210	122.2 Å²	122.2	79%	0.792	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-78.4	132	170.7	-89.3	-174	-178.1	157.9	1.5	109.5	R68	R68-R70 PolarHBondContact O-N 3.28Å
71	P	33.7	Very low	42.8	Very low	77 Å²	77	125.4 Å²	125.4	50%	0.5	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-55.3	143.1	169.4	-19.6	29.9	0	0	0	110.3	D75	P71-D75 HydrophobicContact CB-CB 3.99Å
72	S	44	Very low	43.4	Very low	41 Å²	41	118.5 Å²	118.5	29%	0.287	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-74.1	159.1	176.2	71	0	0	0	0	110.8	A74 D75 E76	S72-A74 PolarHBondContact O-N 2.95Å; S72-A74 PolarHBondContact OG-N 2.87Å; S72-D75 WeakPolarHBondContact CB-OD2 3.28Å; S72-D75 PolarHBondContact N-OD2 3.49Å; S72-D75 WeakPolarHBondContact O-CA 3.37Å; S72-D75 WeakPolarHBondContact O-CB 3.12Å; S72-D75 PolarHBondContact O-N 3.39Å; S72-D75 VanDerWaalsContact OG-CG 3.23Å; S72-D75 PolarHBondContact OG-N 3.32Å; S72-D75 PolarHBondContact OG-OD2 2.85Å; S72-E76 PolarHBondContact O-N 3.33Å; S72-E76 VanDerWaalsContact O-N 3.07Å
73	E	57.8	Low	44.3	Very low	149 Å²	149	117.4 Å²	117.4	70%	0.696	55%	0.548	S	S	*	.	H	α-helix	trans	-54.8	-25.2	171	-79	-179.7	166.3	0	0	112.9	R77	E73-R77 WeakPolarHBondContact O-CB 3.5Å; E73-R77 WeakPolarHBondContact O-CG 3.5Å; E73-R77 PolarHBondContact O-N 3.47Å
74	A	50.9	Low	45.6	Very low	40 Å²	40	114.8 Å²	114.8	33%	0.331	54%	0.542	S	S	.	.	H	α-helix	trans	-71.1	-37.8	174.2	0	0	0	0	0	111.7	S72 R77 I78	S72-A74 PolarHBondContact O-N 2.95Å; S72-A74 PolarHBondContact OG-N 2.87Å; A74-R77 PolarHBondContact O-N 2.82Å; A74-I78 VanDerWaalsContact O-CG1 3.25Å; A74-I78 WeakPolarHBondContact O-CG1 3.46Å; A74-I78 PolarHBondContact O-N 3.43Å
75	D	43.2	Very low	46.3	Very low	65 Å²	65	111.6 Å²	111.6	35%	0.348	53%	0.53	S	S	.	.	H	α-helix	trans	-69	-39.4	176.9	-55.5	-48.7	0	0	0	110.9	P71 S72 I78 R79	P71-D75 HydrophobicContact CB-CB 3.99Å; S72-D75 WeakPolarHBondContact CB-OD2 3.28Å; S72-D75 PolarHBondContact N-OD2 3.49Å; S72-D75 WeakPolarHBondContact O-CA 3.37Å; S72-D75 WeakPolarHBondContact O-CB 3.12Å; S72-D75 PolarHBondContact O-N 3.39Å; S72-D75 VanDerWaalsContact OG-CG 3.23Å; S72-D75 PolarHBondContact OG-N 3.32Å; S72-D75 PolarHBondContact OG-OD2 2.85Å; D75-I78 PolarHBondContact O-N 2.92Å; D75-R79 WeakPolarHBondContact O-CB 3.43Å; D75-R79 PolarHBondContact O-N 3.46Å
76	E	52.9	Low	46.6	Very low	78 Å²	78	115 Å²	115	36%	0.364	55%	0.545	S	S	.	.	H	α-helix	trans	-64.8	-41.4	172.1	-74.6	-67.6	158.7	0	0	111.3	S72 I78 R79 E80	S72-E76 PolarHBondContact O-N 3.33Å; S72-E76 VanDerWaalsContact O-N 3.07Å; E76-I78 PolarHBondContact O-N 3.3Å; E76-R79 PolarHBondContact O-N 3.35Å; E76-R79 IonicContact OE1-NH1 3.1Å; E76-R79 PolarHBondContact OE1-NH1 3.4Å; E76-R79 IonicContact OE2-NH1 3.96Å; E76-E80 WeakPolarHBondContact O-CB 3.32Å; E76-E80 WeakPolarHBondContact O-CG 3.23Å; E76-E80 PolarHBondContact O-N 3.01Å
77	R	60.2	Low	47.4	Very low	147 Å²	147	118 Å²	118	56%	0.555	56%	0.559	S	S	*	*	H	α-helix	trans	-62.2	-42.4	173.3	-79.6	-171.3	-64.7	-106.9	-1.4	112.8	E73 A74 R79 E80 E81	E73-R77 WeakPolarHBondContact O-CB 3.5Å; E73-R77 WeakPolarHBondContact O-CG 3.5Å; E73-R77 PolarHBondContact O-N 3.47Å; A74-R77 PolarHBondContact O-N 2.82Å; R77-R79 VanDerWaalsContact C-N 3.35Å; R77-E80 PolarHBondContact O-N 3.44Å; R77-E81 WeakPolarHBondContact O-CB 3.5Å; R77-E81 PolarHBondContact O-N 2.78Å
78	I	52.8	Low	47.8	Very low	99 Å²	99	120.4 Å²	120.4	51%	0.508	57%	0.567	S	S	.	*	H	α-helix	trans	-65.5	-40.7	177	-70.2	164.8	0	0	0	110.4	A74 D75 E76 E81 L82	A74-I78 VanDerWaalsContact O-CG1 3.25Å; A74-I78 WeakPolarHBondContact O-CG1 3.46Å; A74-I78 PolarHBondContact O-N 3.43Å; D75-I78 PolarHBondContact O-N 2.92Å; E76-I78 PolarHBondContact O-N 3.3Å; I78-E81 PolarHBondContact O-N 2.85Å; I78-L82 HydrophobicContact CG2-CD1 3.87Å; I78-L82 HydrophobicContact CG2-CG 4.37Å; I78-L82 WeakPolarHBondContact O-CB 3.31Å; I78-L82 VanDerWaalsContact O-CG 3.31Å; I78-L82 WeakPolarHBondContact O-CG 3.21Å; I78-L82 PolarHBondContact O-N 2.93Å
79	R	50.9	Low	48	Very low	141 Å²	141	117.9 Å²	117.9	53%	0.532	57%	0.568	S	S	.	*	H	α-helix	trans	-61.3	-47.8	173.9	177.3	-173.3	-89.3	173.7	-10.3	111.2	D75 E76 R77 E81 L82 Q83	D75-R79 WeakPolarHBondContact O-CB 3.43Å; D75-R79 PolarHBondContact O-N 3.46Å; E76-R79 PolarHBondContact O-N 3.35Å; E76-R79 IonicContact OE1-NH1 3.1Å; E76-R79 PolarHBondContact OE1-NH1 3.4Å; E76-R79 IonicContact OE2-NH1 3.96Å; R77-R79 VanDerWaalsContact C-N 3.35Å; R79-E81 VanDerWaalsContact C-N 3.32Å; R79-E81 PolarHBondContact O-N 2.89Å; R79-L82 PolarHBondContact O-N 3.17Å; R79-Q83 VanDerWaalsContact O-CB 3.24Å; R79-Q83 WeakPolarHBondContact O-CB 3.46Å; R79-Q83 PolarHBondContact O-N 3.47Å
80	E	64.6	Low	48.3	Very low	128 Å²	128	119.8 Å²	119.8	60%	0.598	58%	0.579	S	S	*	*	H	α-helix	trans	-61.8	-39.3	177.2	-76.2	-175.6	170.6	0	0	112.1	E76 R77 Q83 K84	E76-E80 WeakPolarHBondContact O-CB 3.32Å; E76-E80 WeakPolarHBondContact O-CG 3.23Å; E76-E80 PolarHBondContact O-N 3.01Å; R77-E80 PolarHBondContact O-N 3.44Å; E80-Q83 PolarHBondContact O-N 3.32Å; E80-K84 WeakPolarHBondContact O-CB 3.49Å; E80-K84 PolarHBondContact O-N 2.84Å
81	E	63.3	Low	48.3	Very low	112 Å²	112	114 Å²	114	52%	0.523	57%	0.571	S	S	.	*	H	α-helix	trans	-65.9	-46.9	176.8	-160.8	73.5	-156	0	0	111.3	R77 I78 R79 Q83 K84 Q85	R77-E81 WeakPolarHBondContact O-CB 3.5Å; R77-E81 PolarHBondContact O-N 2.78Å; I78-E81 PolarHBondContact O-N 2.85Å; R79-E81 VanDerWaalsContact C-N 3.32Å; R79-E81 PolarHBondContact O-N 2.89Å; E81-Q83 VanDerWaalsContact C-N 3.31Å; E81-Q83 PolarHBondContact O-N 3.46Å; E81-K84 WeakPolarHBondContact O-CB 3.48Å; E81-K84 PolarHBondContact O-N 2.88Å; E81-Q85 WeakPolarHBondContact O-CG 3.31Å; E81-Q85 PolarHBondContact O-N 2.86Å
82	L	48.5	Very low	48.1	Very low	101 Å²	101	118.8 Å²	118.8	53%	0.529	59%	0.587	S	S	.	*	H	α-helix	trans	-62.8	-38.9	176	-76.1	170	0	0	0	111.6	I78 R79 Q85 L86	I78-L82 HydrophobicContact CG2-CD1 3.87Å; I78-L82 HydrophobicContact CG2-CG 4.37Å; I78-L82 WeakPolarHBondContact O-CB 3.31Å; I78-L82 VanDerWaalsContact O-CG 3.31Å; I78-L82 WeakPolarHBondContact O-CG 3.21Å; I78-L82 PolarHBondContact O-N 2.93Å; R79-L82 PolarHBondContact O-N 3.17Å; L82-Q85 PolarHBondContact O-N 2.93Å; L82-L86 WeakPolarHBondContact O-CB 3.3Å; L82-L86 PolarHBondContact O-N 3.24Å
83	Q	51.6	Low	47.6	Very low	118 Å²	118	122.5 Å²	122.5	55%	0.551	61%	0.61	S	S	*	*	H	α-helix	trans	-73.6	-28.9	179.2	-160	141.8	7.2	0	0	112.3	R79 E80 E81 N87	R79-Q83 VanDerWaalsContact O-CB 3.24Å; R79-Q83 WeakPolarHBondContact O-CB 3.46Å; R79-Q83 PolarHBondContact O-N 3.47Å; E80-Q83 PolarHBondContact O-N 3.32Å; E81-Q83 VanDerWaalsContact C-N 3.31Å; E81-Q83 PolarHBondContact O-N 3.46Å; Q83-N87 PolarHBondContact O-N 3.12Å; Q83-N87 PolarHBondContact O-ND2 3.22Å; Q83-N87 VanDerWaalsContact O-ND2 3.12Å
84	K	61.7	Low	46.3	Very low	143 Å²	143	123 Å²	123	62%	0.622	61%	0.614	S	S	*	*	H	α-helix	trans	-66.6	-43	166.5	-92	-178.9	177.3	172.2	0	112.2	E80 E81 L86 N87	E80-K84 WeakPolarHBondContact O-CB 3.49Å; E80-K84 PolarHBondContact O-N 2.84Å; E81-K84 WeakPolarHBondContact O-CB 3.48Å; E81-K84 PolarHBondContact O-N 2.88Å; K84-L86 VanDerWaalsContact C-N 3.34Å; K84-N87 PolarHBondContact O-N 2.84Å
85	Q	47.7	Very low	45.3	Very low	120 Å²	120	127.8 Å²	127.8	56%	0.561	63%	0.634	S	S	*	*	H	α-helix	trans	-65.4	-38.6	177.3	-72	179.2	7.6	0	0	111.7	E81 L82 N87 Q88	E81-Q85 WeakPolarHBondContact O-CG 3.31Å; E81-Q85 PolarHBondContact O-N 2.86Å; L82-Q85 PolarHBondContact O-N 2.93Å; Q85-N87 PolarHBondContact O-N 3.45Å; Q85-Q88 PolarHBondContact O-N 3.31Å; Q85-Q88 VanDerWaalsContact O-N 3.12Å
86	L	40.3	Very low	45.5	Very low	136 Å²	136	128.7 Å²	128.7	71%	0.712	65%	0.645	S	S	*	*	H	α-helix	trans	-63.3	-25.9	176.9	-146.5	85.2	0	0	0	113.2	L82 K84	L82-L86 WeakPolarHBondContact O-CB 3.3Å; L82-L86 PolarHBondContact O-N 3.24Å; K84-L86 VanDerWaalsContact C-N 3.34Å
87	N	48	Very low	44.6	Very low	136 Å²	136	130.9 Å²	130.9	73%	0.727	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-1.8	178.6	-72.1	-29.3	0	0	0	113.5	Q83 K84 Q85	Q83-N87 PolarHBondContact O-N 3.12Å; Q83-N87 PolarHBondContact O-ND2 3.22Å; Q83-N87 VanDerWaalsContact O-ND2 3.12Å; K84-N87 PolarHBondContact O-N 2.84Å; Q85-N87 PolarHBondContact O-N 3.45Å
88	Q	38.3	Very low	43.7	Very low	161 Å²	161	126.2 Å²	126.2	75%	0.752	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.2	-2.7	-171.4	-84.8	-168.4	-22.9	0	0	117.1	Q85	Q85-Q88 PolarHBondContact O-N 3.31Å; Q85-Q88 VanDerWaalsContact O-N 3.12Å
89	D	33.3	Very low	42.9	Very low	130 Å²	130	125.9 Å²	125.9	70%	0.695	65%	0.653	S	S	*	*			trans	-144.2	119.8	174	-85.7	-44.9	0	0	0	113.2	S91	D89-S91 PolarHBondContact O-N 3.39Å
90	D	37.8	Very low	42.2	Very low	183 Å²	183	124.7 Å²	124.7	98%	0.979	66%	0.656	S	S	*	*			trans	-68.8	55	172.2	-76.2	-39.4	0	0	0	111.9
91	S	33.7	Very low	41	Very low	90 Å²	90	125.2 Å²	125.2	63%	0.629	66%	0.658	S	S	*	*			trans	-121.5	104.1	171.5	44.5	0	0	0	0	110.2	D89 P93	D89-S91 PolarHBondContact O-N 3.39Å; S91-P93 WeakPolarHBondContact O-CD 3.47Å
92	E	29.7	Very low	40	Very low	177 Å²	177	123.4 Å²	123.4	83%	0.827	66%	0.655	S	S	*	*			trans	-46.4	124.6	178.4	-70.6	-179.7	141.3	0	0	113
93	P	32.5	Very low	39.6	Very low	118 Å²	118	124.8 Å²	124.8	77%	0.766	66%	0.657	S	S	*	*			trans	-99.2	82.7	154.6	30	-16.1	0	0	0	108.3	S91 L95	S91-P93 WeakPolarHBondContact O-CD 3.47Å; P93-L95 PolarHBondContact O-N 3.25Å
94	M	30.4	Very low	39.2	Very low	159 Å²	159	125.5 Å²	125.5	78%	0.783	66%	0.66	S	S	*	*			trans	-80.5	66.9	172.1	-127	-143	148.8	0	0	110.5
95	L	30.1	Very low	38.4	Very low	142 Å²	142	122.4 Å²	122.4	74%	0.743	66%	0.657	S	S	*	*			trans	-143.7	86	170.4	-81.6	170.7	0	0	0	109.6	P93	P93-L95 PolarHBondContact O-N 3.25Å
96	S	46.4	Very low	38.2	Very low	84 Å²	84	124.8 Å²	124.8	59%	0.587	66%	0.662	S	S	*	*	S	Bend	trans	-166.9	-29.6	153.1	52.9	0	0	0	0	112.6
97	L	35.5	Very low	38.4	Very low	124 Å²	124	125.2 Å²	125.2	65%	0.649	65%	0.654	S	S	*	*	H	α-helix	trans	-80	-42.6	-178.5	-135.7	90.4	0	0	0	113.4	E99 L100 E101	L97-E99 PolarHBondContact O-N 2.99Å; L97-L100 WeakPolarHBondContact O-CB 3.46Å; L97-L100 PolarHBondContact O-N 2.01Å; L97-E101 PolarHBondContact O-N 3Å
98	G	39.8	Very low	38.4	Very low	49 Å²	49	122.1 Å²	122.1	51%	0.505	64%	0.643	S	S	.	*	H	α-helix	trans	-62.6	-28.5	178.4	0	0	0	0	0	113.3	L100 T102	G98-L100 VanDerWaalsContact C-N 3.32Å; G98-T102 PolarHBondContact O-N 3.41Å; G98-T102 PolarHBondContact O-OG1 2.9Å
99	E	37.2	Very low	38.8	Very low	92 Å²	92	117.5 Å²	117.5	43%	0.43	63%	0.629	S	S	.	*	H	α-helix	trans	-69.2	-29.3	173.7	-67.4	-173.3	171.2	0	0	112.6	L97 T102 K103	L97-E99 PolarHBondContact O-N 2.99Å; E99-T102 WeakPolarHBondContact CA-OG1 3.44Å; E99-T102 PolarHBondContact O-OG1 2.88Å; E99-K103 WeakPolarHBondContact O-CB 3.48Å; E99-K103 VanDerWaalsContact O-CD 3.26Å; E99-K103 WeakPolarHBondContact O-CD 3.48Å; E99-K103 WeakPolarHBondContact O-CG 3.48Å; E99-K103 PolarHBondContact O-N 3.29Å; E99-K103 IonicContact OE2-NZ 3.58Å
100	L	36.8	Very low	39.2	Very low	115 Å²	115	115.8 Å²	115.8	60%	0.602	62%	0.615	S	S	*	*	H	α-helix	trans	-76.9	-42.3	-178.3	-136.6	118.7	0	0	0	111.2	L97 G98 T102 K103 E104	L97-L100 WeakPolarHBondContact O-CB 3.46Å; L97-L100 PolarHBondContact O-N 2.01Å; G98-L100 VanDerWaalsContact C-N 3.32Å; L100-T102 VanDerWaalsContact C-N 3.33Å; L100-T102 PolarHBondContact O-N 2.89Å; L100-K103 WeakPolarHBondContact O-CB 3.42Å; L100-K103 PolarHBondContact O-N 3.43Å; L100-E104 PolarHBondContact O-N 3.33Å
101	E	38.8	Very low	39.6	Very low	139 Å²	139	112.2 Å²	112.2	65%	0.65	59%	0.592	S	S	*	*	H	α-helix	trans	-66	-34.5	175.2	-71.6	-178.4	167.6	0	0	112	L97 S105	L97-E101 PolarHBondContact O-N 3Å; E101-S105 PolarHBondContact O-N 2.78Å
102	T	42.5	Very low	40.5	Very low	75 Å²	75	111.8 Å²	111.8	46%	0.46	59%	0.59	S	S	.	*	H	α-helix	trans	-68.9	-40.4	171.6	19.5	0	0	0	0	111.7	G98 E99 L100 E104 S105 Y106	G98-T102 PolarHBondContact O-N 3.41Å; G98-T102 PolarHBondContact O-OG1 2.9Å; E99-T102 WeakPolarHBondContact CA-OG1 3.44Å; E99-T102 PolarHBondContact O-OG1 2.88Å; L100-T102 VanDerWaalsContact C-N 3.33Å; L100-T102 PolarHBondContact O-N 2.89Å; T102-E104 PolarHBondContact O-N 2.91Å; T102-S105 WeakPolarHBondContact O-CB 3.35Å; T102-S105 PolarHBondContact O-N 3.49Å; T102-Y106 VanDerWaalsContact O-CD2 3.24Å; T102-Y106 WeakPolarHBondContact O-CD2 3.43Å; T102-Y106 PolarHBondContact O-N 2.8Å
103	K	38.7	Very low	41.2	Very low	129 Å²	129	106.3 Å²	106.3	56%	0.561	57%	0.568	S	S	*	*	H	α-helix	trans	-60.5	-41.1	177.2	-77.4	164.7	-169.7	171.5	0	112.8	E99 L100 Y106 W107	E99-K103 WeakPolarHBondContact O-CB 3.48Å; E99-K103 VanDerWaalsContact O-CD 3.26Å; E99-K103 WeakPolarHBondContact O-CD 3.48Å; E99-K103 WeakPolarHBondContact O-CG 3.48Å; E99-K103 PolarHBondContact O-N 3.29Å; E99-K103 IonicContact OE2-NZ 3.58Å; L100-K103 WeakPolarHBondContact O-CB 3.42Å; L100-K103 PolarHBondContact O-N 3.43Å; K103-Y106 PolarHBondContact O-N 2.81Å; K103-W107 PolarHBondContact O-N 3Å
104	E	44.1	Very low	41.9	Very low	133 Å²	133	106.3 Å²	106.3	62%	0.621	56%	0.556	S	S	*	*	H	α-helix	trans	-68.5	-38.2	178.2	-166.1	173	-167	0	0	112.2	L100 T102 W107 S108	L100-E104 PolarHBondContact O-N 3.33Å; T102-E104 PolarHBondContact O-N 2.91Å; E104-W107 PolarHBondContact O-N 3.28Å; E104-S108 WeakPolarHBondContact O-CB 3.43Å; E104-S108 PolarHBondContact O-N 3.43Å; E104-S108 PolarHBondContact O-OG 3.41Å
105	S	44.6	Very low	43	Very low	78 Å²	78	105.1 Å²	105.1	55%	0.545	55%	0.553	S	S	.	*	H	α-helix	trans	-62.5	-44	172.7	179.5	0	0	0	0	112.2	E101 T102 S108 S109	E101-S105 PolarHBondContact O-N 2.78Å; T102-S105 WeakPolarHBondContact O-CB 3.35Å; T102-S105 PolarHBondContact O-N 3.49Å; S105-S108 PolarHBondContact O-N 3.45Å; S105-S109 PolarHBondContact O-N 3.39Å
106	Y	44	Very low	44.2	Very low	170 Å²	170	105 Å²	105	67%	0.667	55%	0.553	S	S	*	*	H	α-helix	trans	-66.4	-40.2	177.2	-88.3	-74.4	0	0	0	112.8	T102 K103 S109 F110	T102-Y106 VanDerWaalsContact O-CD2 3.24Å; T102-Y106 WeakPolarHBondContact O-CD2 3.43Å; T102-Y106 PolarHBondContact O-N 2.8Å; K103-Y106 PolarHBondContact O-N 2.81Å; Y106-S109 PolarHBondContact O-N 3.02Å; Y106-F110 PolarHBondContact O-N 3.01Å
107	W	44	Very low	44.2	Very low	145 Å²	145	104.1 Å²	104.1	55%	0.549	54%	0.541	S	S	.	.	H	α-helix	trans	-63.5	-42.3	175.8	-175.8	-111.4	0	0	0	112.2	K103 E104 S109 F110 Q111	K103-W107 PolarHBondContact O-N 3Å; E104-W107 PolarHBondContact O-N 3.28Å; W107-S109 VanDerWaalsContact C-N 3.27Å; W107-S109 PolarHBondContact O-N 2.8Å; W107-F110 HydrophobicContact CE3-CD1 4.22Å; W107-F110 HydrophobicContact CH2-CD1 4.49Å; W107-F110 AromaticContact CZ3-CD1 3.92Å; W107-F110 HydrophobicContact CZ3-CD1 3.92Å; W107-F110 HydrophobicContact CZ3-CE1 4.25Å; W107-F110 PolarHBondContact O-N 3.31Å; W107-Q111 HydrophobicContact CD2-CG 4.46Å; W107-Q111 HydrophobicContact CZ2-CG 4.25Å; W107-Q111 VanDerWaalsContact NE1-NE2 3.19Å; W107-Q111 PolarHBondContact O-N 2.88Å
108	S	49.1	Very low	45.2	Very low	71 Å²	71	102 Å²	102	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-62.7	-37.5	176.6	-58.7	0	0	0	0	111.6	E104 S105 S112	E104-S108 WeakPolarHBondContact O-CB 3.43Å; E104-S108 PolarHBondContact O-N 3.43Å; E104-S108 PolarHBondContact O-OG 3.41Å; S105-S108 PolarHBondContact O-N 3.45Å; S108-S112 WeakPolarHBondContact O-CB 3.45Å; S108-S112 PolarHBondContact O-N 2.7Å
109	S	44.9	Very low	45.2	Very low	65 Å²	65	106 Å²	106	46%	0.455	54%	0.542	S	S	.	.	H	α-helix	trans	-68.1	-46.2	175.4	-161.6	0	0	0	0	112	S105 Y106 W107 S112 T113	S105-S109 PolarHBondContact O-N 3.39Å; Y106-S109 PolarHBondContact O-N 3.02Å; W107-S109 VanDerWaalsContact C-N 3.27Å; W107-S109 PolarHBondContact O-N 2.8Å; S109-S112 WeakPolarHBondContact O-CB 3.11Å; S109-S112 PolarHBondContact O-N 3.18Å; S109-S112 VanDerWaalsContact O-N 3.09Å; S109-S112 PolarHBondContact O-OG 3.47Å; S109-T113 PolarHBondContact O-N 3.09Å; S109-T113 PolarHBondContact O-OG1 3.13Å
110	F	42.5	Very low	45.6	Very low	93 Å²	93	108.8 Å²	108.8	41%	0.408	56%	0.555	S	S	.	*	H	α-helix	trans	-62.3	-43.9	177.4	175.9	-101.1	0	0	0	112.6	Y106 W107 S112 T113 K114 M117	Y106-F110 PolarHBondContact O-N 3.01Å; W107-F110 HydrophobicContact CE3-CD1 4.22Å; W107-F110 HydrophobicContact CH2-CD1 4.49Å; W107-F110 AromaticContact CZ3-CD1 3.92Å; W107-F110 HydrophobicContact CZ3-CD1 3.92Å; W107-F110 HydrophobicContact CZ3-CE1 4.25Å; W107-F110 PolarHBondContact O-N 3.31Å; F110-S112 PolarHBondContact O-N 2.97Å; F110-T113 PolarHBondContact O-N 3.33Å; F110-T113 VanDerWaalsContact O-N 3.16Å; F110-T113 PolarHBondContact O-OG1 2.88Å; F110-K114 PolarHBondContact O-N 2.92Å; F110-M117 HydrophobicContact CD2-CE 4.22Å; F110-M117 HydrophobicContact CE2-CE 4.01Å
111	Q	47.3	Very low	46.2	Very low	108 Å²	108	108 Å²	108	51%	0.505	55%	0.548	S	S	.	.	H	α-helix	trans	-61	-31.9	174.2	-77.5	-151	-5.6	0	0	112.3	W107 T113	W107-Q111 HydrophobicContact CD2-CG 4.46Å; W107-Q111 HydrophobicContact CZ2-CG 4.25Å; W107-Q111 VanDerWaalsContact NE1-NE2 3.19Å; W107-Q111 PolarHBondContact O-N 2.88Å; Q111-T113 VanDerWaalsContact C-N 3.32Å; Q111-T113 PolarHBondContact O-N 2.75Å
112	S	51.1	Low	46.4	Very low	82 Å²	82	103.6 Å²	103.6	57%	0.573	54%	0.535	S	S	*	.	H	α-helix	trans	-74.1	-20.3	178.9	79.8	0	0	0	0	114	S108 S109 F110	S108-S112 WeakPolarHBondContact O-CB 3.45Å; S108-S112 PolarHBondContact O-N 2.7Å; S109-S112 WeakPolarHBondContact O-CB 3.11Å; S109-S112 PolarHBondContact O-N 3.18Å; S109-S112 VanDerWaalsContact O-N 3.09Å; S109-S112 PolarHBondContact O-OG 3.47Å; F110-S112 PolarHBondContact O-N 2.97Å
113	T	44.9	Very low	46.4	Very low	61 Å²	61	105.5 Å²	105.5	37%	0.374	54%	0.539	S	S	.	.	H	α-helix	trans	-114.5	-12	-174.9	49.6	0	0	0	0	115.2	S109 F110 Q111 D115 N116 M117	S109-T113 PolarHBondContact O-N 3.09Å; S109-T113 PolarHBondContact O-OG1 3.13Å; F110-T113 PolarHBondContact O-N 3.33Å; F110-T113 VanDerWaalsContact O-N 3.16Å; F110-T113 PolarHBondContact O-OG1 2.88Å; Q111-T113 VanDerWaalsContact C-N 3.32Å; Q111-T113 PolarHBondContact O-N 2.75Å; T113-D115 PolarHBondContact O-N 3.17Å; T113-D115 VanDerWaalsContact O-N 3.12Å; T113-N116 PolarHBondContact O-N 3Å; T113-M117 PolarHBondContact O-N 3.4Å
114	K	47.3	Very low	46.8	Very low	118 Å²	118	105.4 Å²	105.4	51%	0.513	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-54.2	-35.3	-177.3	77.8	173.9	-171.5	163.8	0	113.6	F110 N116 M117	F110-K114 PolarHBondContact O-N 2.92Å; K114-N116 PolarHBondContact O-N 3.46Å; K114-M117 PolarHBondContact O-N 3.41Å
115	D	54.5	Low	46.9	Very low	135 Å²	135	103.3 Å²	103.3	72%	0.722	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-73.6	-11.2	-177.5	-62	-21.9	0	0	0	112.2	T113	T113-D115 PolarHBondContact O-N 3.17Å; T113-D115 VanDerWaalsContact O-N 3.12Å
116	N	54.3	Low	46.6	Very low	139 Å²	139	109.3 Å²	109.3	74%	0.743	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-111.4	3.3	178.8	-65.9	-36	0	0	0	113.4	T113 K114	T113-N116 PolarHBondContact O-N 3Å; K114-N116 PolarHBondContact O-N 3.46Å
117	M	47.4	Very low	46.6	Very low	66 Å²	66	105.5 Å²	105.5	33%	0.325	55%	0.55	S	S	.	*			trans	-87.6	138.7	-176	-160.5	175.7	-61.2	0	0	110.6	F110 T113 K114 E121	F110-M117 HydrophobicContact CD2-CE 4.22Å; F110-M117 HydrophobicContact CE2-CE 4.01Å; T113-M117 PolarHBondContact O-N 3.4Å; K114-M117 PolarHBondContact O-N 3.41Å; M117-E121 HydrophobicContact CG-CB 3.59Å; M117-E121 HydrophobicContact CG-CG 4.45Å; M117-E121 VanDerWaalsContact CG-OE2 3.31Å; M117-E121 WeakPolarHBondContact CG-OE2 3.49Å; M117-E121 HydrophobicContact SD-CB 4.13Å
118	T	54.8	Low	46.4	Very low	78 Å²	78	102.6 Å²	102.6	48%	0.479	55%	0.552	S	S	.	*			trans	-81	155.8	178.1	60.2	0	0	0	0	111.3	E120 E121 A122	T118-E120 PolarHBondContact O-N 3.23Å; T118-E121 PolarHBondContact N-OE2 2.97Å; T118-E121 PolarHBondContact O-N 2.99Å; T118-E121 WeakPolarHBondContact OG1-CG 2.99Å; T118-E121 PolarHBondContact OG1-OE2 2.98Å; T118-A122 PolarHBondContact O-N 3.25Å; T118-A122 VanDerWaalsContact O-N 3.13Å
119	L	40.8	Very low	45.8	Very low	134 Å²	134	102.4 Å²	102.4	70%	0.702	55%	0.548	S	S	*	.	H	α-helix	trans	-56.4	-37.6	179.8	-171.6	75.5	0	0	0	112.1	A122 E123	L119-A122 WeakPolarHBondContact O-CB 3.42Å; L119-A122 PolarHBondContact O-N 3.07Å; L119-E123 WeakPolarHBondContact O-CG 3.5Å; L119-E123 PolarHBondContact O-N 2.92Å
120	E	44.7	Very low	45.4	Very low	150 Å²	150	108 Å²	108	70%	0.701	57%	0.567	S	S	*	*	H	α-helix	trans	-66.5	-40.1	-179.8	-157.2	171.1	-160.6	0	0	111.4	T118 A122 E123 D124	T118-E120 PolarHBondContact O-N 3.23Å; E120-A122 VanDerWaalsContact C-N 3.3Å; E120-A122 PolarHBondContact O-N 3.4Å; E120-E123 PolarHBondContact O-N 3.19Å; E120-D124 WeakPolarHBondContact O-CB 3.28Å; E120-D124 PolarHBondContact O-N 3.23Å
121	E	50.7	Low	45.2	Very low	99 Å²	99	110.5 Å²	110.5	46%	0.463	59%	0.59	S	S	.	*	H	α-helix	trans	-64.9	-35.1	173	-70.6	168.5	143.3	0	0	111.9	M117 T118 T125	M117-E121 HydrophobicContact CG-CB 3.59Å; M117-E121 HydrophobicContact CG-CG 4.45Å; M117-E121 VanDerWaalsContact CG-OE2 3.31Å; M117-E121 WeakPolarHBondContact CG-OE2 3.49Å; M117-E121 HydrophobicContact SD-CB 4.13Å; T118-E121 PolarHBondContact N-OE2 2.97Å; T118-E121 PolarHBondContact O-N 2.99Å; T118-E121 WeakPolarHBondContact OG1-CG 2.99Å; T118-E121 PolarHBondContact OG1-OE2 2.98Å; E121-T125 WeakPolarHBondContact O-CB 3.3Å; E121-T125 PolarHBondContact O-N 3.42Å; E121-T125 PolarHBondContact O-OG1 2.86Å
122	A	43.5	Very low	44.5	Very low	46 Å²	46	108.9 Å²	108.9	38%	0.38	60%	0.602	S	S	.	*	H	α-helix	trans	-70.2	-41.9	175.5	0	0	0	0	0	111.9	T118 L119 E120 T125 W126	T118-A122 PolarHBondContact O-N 3.25Å; T118-A122 VanDerWaalsContact O-N 3.13Å; L119-A122 WeakPolarHBondContact O-CB 3.42Å; L119-A122 PolarHBondContact O-N 3.07Å; E120-A122 VanDerWaalsContact C-N 3.3Å; E120-A122 PolarHBondContact O-N 3.4Å; A122-T125 WeakPolarHBondContact O-CB 3.12Å; A122-T125 PolarHBondContact O-N 3.48Å; A122-W126 WeakPolarHBondContact O-CB 3.39Å; A122-W126 PolarHBondContact O-N 3.03Å
123	E	42	Very low	43.6	Very low	115 Å²	115	111.2 Å²	111.2	54%	0.537	61%	0.607	S	S	.	*	H	α-helix	trans	-67.8	-38.8	178.3	-77.1	-175.2	167.1	0	0	113.1	L119 E120 T125 W126 S127	L119-E123 WeakPolarHBondContact O-CG 3.5Å; L119-E123 PolarHBondContact O-N 2.92Å; E120-E123 PolarHBondContact O-N 3.19Å; E123-T125 VanDerWaalsContact C-N 3.3Å; E123-T125 PolarHBondContact O-N 3.38Å; E123-W126 WeakPolarHBondContact O-CB 3.27Å; E123-W126 PolarHBondContact O-N 3.2Å; E123-W126 VanDerWaalsContact O-N 3.16Å; E123-S127 PolarHBondContact O-N 2.84Å; E123-S127 PolarHBondContact O-OG 3.11Å
124	D	47	Very low	42.9	Very low	127 Å²	127	113.7 Å²	113.7	68%	0.679	63%	0.625	S	S	*	*	H	α-helix	trans	-63.7	-39.2	172.7	-92.1	-7.3	0	0	0	111.2	E120 W126	E120-D124 WeakPolarHBondContact O-CB 3.28Å; E120-D124 PolarHBondContact O-N 3.23Å; D124-W126 VanDerWaalsContact C-N 3.29Å; D124-W126 PolarHBondContact O-N 3.3Å
125	T	45.2	Very low	42	Very low	90 Å²	90	112.2 Å²	112.2	55%	0.552	64%	0.635	S	S	*	*	H	α-helix	trans	-62.6	-40.2	173.5	-56.2	0	0	0	0	110.8	E121 A122 E123 S128	E121-T125 WeakPolarHBondContact O-CB 3.3Å; E121-T125 PolarHBondContact O-N 3.42Å; E121-T125 PolarHBondContact O-OG1 2.86Å; A122-T125 WeakPolarHBondContact O-CB 3.12Å; A122-T125 PolarHBondContact O-N 3.48Å; E123-T125 VanDerWaalsContact C-N 3.3Å; E123-T125 PolarHBondContact O-N 3.38Å; T125-S128 PolarHBondContact O-OG 2.92Å
126	W	39.4	Very low	40.8	Very low	204 Å²	204	110.6 Å²	110.6	77%	0.773	63%	0.625	S	S	*	*	H	α-helix	trans	-73.8	-37.2	-174.1	-158.9	-111.6	0	0	0	114.3	A122 E123 D124 S128	A122-W126 WeakPolarHBondContact O-CB 3.39Å; A122-W126 PolarHBondContact O-N 3.03Å; E123-W126 WeakPolarHBondContact O-CB 3.27Å; E123-W126 PolarHBondContact O-N 3.2Å; E123-W126 VanDerWaalsContact O-N 3.16Å; D124-W126 VanDerWaalsContact C-N 3.29Å; D124-W126 PolarHBondContact O-N 3.3Å; W126-S128 PolarHBondContact O-N 2.88Å; W126-S128 VanDerWaalsContact O-N 3.1Å
127	S	43.7	Very low	39.7	Very low	90 Å²	90	113.9 Å²	113.9	63%	0.629	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-66.5	-15.6	-173.6	-64.9	0	0	0	0	114.2	E123 V129	E123-S127 PolarHBondContact O-N 2.84Å; E123-S127 PolarHBondContact O-OG 3.11Å; S127-V129 VanDerWaalsContact C-N 3.31Å; S127-V129 PolarHBondContact O-N 3.36Å
128	S	39.2	Very low	39	Very low	84 Å²	84	114.3 Å²	114.3	59%	0.587	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-78.5	-2.2	-176	69.2	0	0	0	0	115.7	T125 W126	T125-S128 PolarHBondContact O-OG 2.92Å; W126-S128 PolarHBondContact O-N 2.88Å; W126-S128 VanDerWaalsContact O-N 3.1Å
129	V	37.7	Very low	38.1	Very low	67 Å²	67	119.7 Å²	119.7	41%	0.406	65%	0.653	S	S	.	*	G	3₁₀ helix	trans	-109.7	0.5	-160.8	-174.1	0	0	0	0	116	S127 T131 L371	S127-V129 VanDerWaalsContact C-N 3.31Å; S127-V129 PolarHBondContact O-N 3.36Å; V129-T131 PolarHBondContact O-N 2.9Å; V129-L371 HydrophobicContact CG1-CD1 4.3Å; V129-L371 HydrophobicContact CG1-CD2 3.31Å; V129-L371 HydrophobicContact CG1-CG 3.78Å
130	Q	36.3	Very low	38	Very low	182 Å²	182	121 Å²	121	85%	0.85	65%	0.653	S	S	*	*			trans	-87.7	90	-167.6	-71.4	-167.1	-14.8	0	0	117.9
131	T	38.2	Very low	37.8	Very low	145 Å²	145	119 Å²	119	89%	0.89	65%	0.647	S	S	*	*			trans	-134.8	114.4	164.7	50.4	0	0	0	0	113	V129	V129-T131 PolarHBondContact O-N 2.9Å
132	G	31.1	Very low	37.5	Very low	74 Å²	74	121.2 Å²	121.2	76%	0.763	66%	0.655	S	S	*	*			trans	146.8	20.5	162	0	0	0	0	0	122.8
133	L	33.9	Very low	37.8	Very low	131 Å²	131	120.9 Å²	120.9	69%	0.686	65%	0.649	S	S	*	*			trans	-100.7	-13.6	-165.5	-102	134.5	0	0	0	122.4	A135	L133-A135 PolarHBondContact O-N 3.29Å
134	P	28.5	Very low	38.7	Very low	114 Å²	114	118.7 Å²	118.7	74%	0.74	65%	0.646	S	S	*	*	H	α-helix	trans	-66.6	-27.5	-168.7	-24.8	34.2	0	0	0	117	L136	P134-L136 VanDerWaalsContact C-N 3.33Å; P134-L136 PolarHBondContact O-N 3.43Å
135	A	28.8	Very low	39.7	Very low	87 Å²	87	119 Å²	119	72%	0.719	64%	0.643	S	S	*	*	H	α-helix	trans	-74.3	-18.2	-172.8	0	0	0	0	0	114.6	L133	L133-A135 PolarHBondContact O-N 3.29Å
136	L	30.8	Very low	40.5	Very low	100 Å²	100	117.4 Å²	117.4	52%	0.524	64%	0.64	S	S	.	*	H	α-helix	trans	-81	-29.8	-179.1	-77.3	163.4	0	0	0	112.8	P134 A138 R139	P134-L136 VanDerWaalsContact C-N 3.33Å; P134-L136 PolarHBondContact O-N 3.43Å; L136-A138 VanDerWaalsContact C-N 3.34Å; L136-A138 PolarHBondContact O-N 3.09Å; L136-R139 PolarHBondContact O-N 3.14Å
137	R	30.7	Very low	41.9	Very low	208 Å²	208	109.2 Å²	109.2	79%	0.785	61%	0.609	S	S	*	*	H	α-helix	trans	-60.4	-36.4	-176.4	-81.2	-176.3	176.1	175.1	-1.2	114.1	R139	R137-R139 VanDerWaalsContact C-N 3.31Å; R137-R139 PolarHBondContact O-N 3.42Å
138	A	31.7	Very low	43.1	Very low	75 Å²	75	111.5 Å²	111.5	62%	0.62	60%	0.604	S	S	*	*	H	α-helix	trans	-73.8	-19.3	-176.5	0	0	0	0	0	114	L136	L136-A138 VanDerWaalsContact C-N 3.34Å; L136-A138 PolarHBondContact O-N 3.09Å
139	R	36	Very low	44.6	Very low	191 Å²	191	114 Å²	114	72%	0.721	60%	0.6	S	S	*	*	H	α-helix	trans	-81.3	-25	-179.6	-74.8	-174.8	175.2	-173.2	-1.9	113.3	L136 R137	L136-R139 PolarHBondContact O-N 3.14Å; R137-R139 VanDerWaalsContact C-N 3.31Å; R137-R139 PolarHBondContact O-N 3.42Å
140	F	40.1	Very low	46.2	Very low	162 Å²	162	114 Å²	114	71%	0.711	60%	0.601	S	S	*	*	H	α-helix	trans	-85	-29.8	-175.3	-82.1	-82.7	0	0	0	114.4
141	L	39.9	Very low	48	Very low	108 Å²	108	105.9 Å²	105.9	57%	0.565	56%	0.562	S	S	*	*	H	α-helix	trans	-86.7	-17.7	-175.9	-67.9	174.7	0	0	0	114.4	P143 W220	L141-P143 VanDerWaalsContact O-CD 3.31Å; L141-P143 WeakPolarHBondContact O-CD 3.48Å; L141-W220 HydrophobicContact CB-CE3 3.88Å; L141-W220 HydrophobicContact CB-CZ3 3.61Å
142	K	44.1	Very low	50	Low	145 Å²	145	103.3 Å²	103.3	63%	0.63	54%	0.541	S	S	*	.	S	Bend	trans	-82	117.5	177.7	-173.5	-179.3	178.1	-175.2	0	108.8	S144 W220	K142-S144 PolarHBondContact O-N 3.27Å; K142-W220 HydrophobicContact CB-CH2 4.4Å; K142-W220 HydrophobicContact CB-CZ2 4.2Å; K142-W220 HydrophobicContact CG-CZ2 4.35Å
143	P	49.8	Very low	52.3	Low	39 Å²	39	105.4 Å²	105.4	25%	0.253	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-54.5	125.9	173.6	-24.5	34.7	0	0	0	110.3	L141 Y147	L141-P143 VanDerWaalsContact O-CD 3.31Å; L141-P143 WeakPolarHBondContact O-CD 3.48Å; P143-Y147 HydrophobicContact CB-CD1 3.59Å; P143-Y147 HydrophobicContact CB-CE1 3.93Å; P143-Y147 HydrophobicContact CB-CG 4.05Å; P143-Y147 HydrophobicContact CG-CE1 4.43Å
144	S	60.5	Low	54.2	Low	69 Å²	69	99.7 Å²	99.7	48%	0.483	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-71.4	166.6	178.2	69.7	0	0	0	0	111	K142 A146 Y147 R148	K142-S144 PolarHBondContact O-N 3.27Å; S144-A146 VanDerWaalsContact C-N 3.26Å; S144-A146 PolarHBondContact O-N 2.78Å; S144-Y147 VanDerWaalsContact O-CB 3.29Å; S144-Y147 WeakPolarHBondContact O-CB 3.5Å; S144-Y147 PolarHBondContact O-N 2.95Å; S144-Y147 PolarHBondContact OG-N 3.4Å; S144-Y147 VanDerWaalsContact OG-N 3.17Å; S144-R148 PolarHBondContact O-N 3.42Å; S144-R148 VanDerWaalsContact O-N 3.15Å
145	E	68.4	Low	56.7	Low	134 Å²	134	97.6 Å²	97.6	63%	0.626	48%	0.481	S	S	*	.	H	α-helix	trans	-64.4	-35.4	175.2	-159.7	-173.9	136.9	0	0	111.9	Y147 R148 R149	E145-Y147 VanDerWaalsContact C-N 3.33Å; E145-Y147 PolarHBondContact O-N 2.93Å; E145-R148 PolarHBondContact O-N 3.02Å; E145-R149 WeakPolarHBondContact O-CG 3.46Å; E145-R149 PolarHBondContact O-N 3.49Å; E145-R149 VanDerWaalsContact O-N 3.08Å; E145-R149 IonicContact OE1-CZ 3.92Å; E145-R149 IonicContact OE1-NE 2.8Å; E145-R149 IonicContact OE1-NH2 3.38Å; E145-R149 PolarHBondContact OE1-NH2 3.45Å
146	A	62.8	Low	59.2	Low	57 Å²	57	97.4 Å²	97.4	47%	0.471	47%	0.465	S	S	.	.	H	α-helix	trans	-60.5	-43.2	173.4	0	0	0	0	0	111.6	S144 R148 R149 T150	S144-A146 VanDerWaalsContact C-N 3.26Å; S144-A146 PolarHBondContact O-N 2.78Å; A146-R148 VanDerWaalsContact C-N 3.32Å; A146-R148 PolarHBondContact O-N 2.88Å; A146-R149 PolarHBondContact O-N 2.78Å; A146-T150 PolarHBondContact O-N 3.3Å; A146-T150 PolarHBondContact O-OG1 3.11Å
147	Y	68.2	Low	61.5	Low	31 Å²	31	99.1 Å²	99.1	12%	0.122	47%	0.465	C	S	.	.	H	α-helix	trans	-56.6	-46.3	174.8	-179	-78.6	0	0	0	111.9	P143 S144 E145 R149 T150 Q151 L213 K216	P143-Y147 HydrophobicContact CB-CD1 3.59Å; P143-Y147 HydrophobicContact CB-CE1 3.93Å; P143-Y147 HydrophobicContact CB-CG 4.05Å; P143-Y147 HydrophobicContact CG-CE1 4.43Å; S144-Y147 VanDerWaalsContact O-CB 3.29Å; S144-Y147 WeakPolarHBondContact O-CB 3.5Å; S144-Y147 PolarHBondContact O-N 2.95Å; S144-Y147 PolarHBondContact OG-N 3.4Å; S144-Y147 VanDerWaalsContact OG-N 3.17Å; E145-Y147 VanDerWaalsContact C-N 3.33Å; E145-Y147 PolarHBondContact O-N 2.93Å; Y147-R149 VanDerWaalsContact C-N 3.35Å; Y147-R149 PolarHBondContact O-N 2.95Å; Y147-T150 PolarHBondContact O-N 3.02Å; Y147-Q151 PolarHBondContact O-N 3.27Å; Y147-L213 HydrophobicContact CD1-CD2 4.44Å; Y147-L213 HydrophobicContact CD2-CD2 3.73Å; Y147-L213 HydrophobicContact CE1-CB 4.41Å; Y147-L213 HydrophobicContact CE1-CD2 3.93Å; Y147-L213 HydrophobicContact CE2-CD2 3.13Å; Y147-L213 HydrophobicContact CE2-CG 4.46Å; Y147-L213 HydrophobicContact CG-CD2 4.36Å; Y147-L213 VanDerWaalsContact OH-C 3.24Å; Y147-L213 WeakPolarHBondContact OH-CA 3.46Å; Y147-L213 WeakPolarHBondContact OH-CD2 3.34Å; Y147-L213 PolarHBondContact OH-O 3.36Å; Y147-K216 HydrophobicContact CE2-CD 3.86Å; Y147-K216 WeakPolarHBondContact OH-CB 3.39Å
148	R	68.7	Low	63.5	Low	139 Å²	139	89.8 Å²	89.8	53%	0.525	43%	0.43	S	S	.	.	H	α-helix	trans	-62.3	-40.4	178.6	-114.4	-170.2	65.9	-166.5	-4.4	112.4	S144 E145 A146 Q151 E152	S144-R148 PolarHBondContact O-N 3.42Å; S144-R148 VanDerWaalsContact O-N 3.15Å; E145-R148 PolarHBondContact O-N 3.02Å; A146-R148 VanDerWaalsContact C-N 3.32Å; A146-R148 PolarHBondContact O-N 2.88Å; R148-Q151 PolarHBondContact O-N 3.12Å; R148-E152 IonicContact CZ-OE1 2.79Å; R148-E152 IonicContact NE-OE1 3.33Å; R148-E152 PolarHBondContact NE-OE1 3.38Å; R148-E152 IonicContact NH2-OE1 3.2Å; R148-E152 PolarHBondContact NH2-OE1 3.28Å; R148-E152 WeakPolarHBondContact O-CG 3.5Å; R148-E152 PolarHBondContact O-N 2.9Å
149	R	71	Confident	65.7	Low	135 Å²	135	92 Å²	92	51%	0.509	42%	0.423	S	S	.	.	H	α-helix	trans	-63.5	-45.6	176.6	-67.4	-178.5	-150.5	156.5	4.6	111.6	E145 A146 Y147 Q151 E152 E153	E145-R149 WeakPolarHBondContact O-CG 3.46Å; E145-R149 PolarHBondContact O-N 3.49Å; E145-R149 VanDerWaalsContact O-N 3.08Å; E145-R149 IonicContact OE1-CZ 3.92Å; E145-R149 IonicContact OE1-NE 2.8Å; E145-R149 IonicContact OE1-NH2 3.38Å; E145-R149 PolarHBondContact OE1-NH2 3.45Å; A146-R149 PolarHBondContact O-N 2.78Å; Y147-R149 VanDerWaalsContact C-N 3.35Å; Y147-R149 PolarHBondContact O-N 2.95Å; R149-Q151 VanDerWaalsContact C-N 3.3Å; R149-Q151 PolarHBondContact O-N 3.32Å; R149-E152 PolarHBondContact O-N 3.36Å; R149-E153 WeakPolarHBondContact O-CG 3.42Å; R149-E153 PolarHBondContact O-N 3.16Å
150	T	70.8	Confident	67.9	Low	69 Å²	69	86.8 Å²	86.8	42%	0.423	41%	0.409	S	S	.	.	H	α-helix	trans	-60	-41.6	177.1	-53.8	0	0	0	0	111.7	A146 Y147 E153 L154	A146-T150 PolarHBondContact O-N 3.3Å; A146-T150 PolarHBondContact O-OG1 3.11Å; Y147-T150 PolarHBondContact O-N 3.02Å; T150-E153 PolarHBondContact O-N 2.67Å; T150-L154 HydrophobicContact CG2-CD1 4.1Å; T150-L154 WeakPolarHBondContact O-CG 3.43Å; T150-L154 PolarHBondContact O-N 3.42Å
151	Q	74.4	Confident	69.6	Low	10 Å²	10	80 Å²	80	5%	0.047	38%	0.383	C	S	.	.	H	α-helix	trans	-63.2	-46.5	175.9	-169.8	-178.2	3.2	0	0	111.7	Y147 R148 R149 E153 L154 Q155 L210 L213	Y147-Q151 PolarHBondContact O-N 3.27Å; R148-Q151 PolarHBondContact O-N 3.12Å; R149-Q151 VanDerWaalsContact C-N 3.3Å; R149-Q151 PolarHBondContact O-N 3.32Å; Q151-E153 PolarHBondContact O-N 3.31Å; Q151-L154 PolarHBondContact O-N 3.02Å; Q151-Q155 WeakPolarHBondContact O-CB 3.37Å; Q151-Q155 VanDerWaalsContact O-CG 3.29Å; Q151-Q155 WeakPolarHBondContact O-CG 3.36Å; Q151-Q155 PolarHBondContact O-N 3.19Å; Q151-L210 HydrophobicContact CG-CD2 4.24Å; Q151-L213 HydrophobicContact CB-CD1 4.13Å; Q151-L213 HydrophobicContact CG-CB 4.39Å; Q151-L213 HydrophobicContact CG-CD1 4.47Å
152	E	80.7	Confident	71.3	Confident	92 Å²	92	78.5 Å²	78.5	43%	0.43	37%	0.373	S	S	.	.	H	α-helix	trans	-61.3	-41.4	177.1	-72.7	171	-163.6	0	0	111.8	R148 R149 E156	R148-E152 IonicContact CZ-OE1 2.79Å; R148-E152 IonicContact NE-OE1 3.33Å; R148-E152 PolarHBondContact NE-OE1 3.38Å; R148-E152 IonicContact NH2-OE1 3.2Å; R148-E152 PolarHBondContact NH2-OE1 3.28Å; R148-E152 WeakPolarHBondContact O-CG 3.5Å; R148-E152 PolarHBondContact O-N 2.9Å; R149-E152 PolarHBondContact O-N 3.36Å; E152-E156 WeakPolarHBondContact O-CB 3.37Å; E152-E156 PolarHBondContact O-N 2.93Å
153	E	77.7	Confident	72.9	Confident	117 Å²	117	77.1 Å²	77.1	55%	0.547	37%	0.367	S	S	.	.	H	α-helix	trans	-64.6	-45.1	176.7	-75.8	179.7	-167.4	0	0	112.8	R149 T150 Q151 E156 R157	R149-E153 WeakPolarHBondContact O-CG 3.42Å; R149-E153 PolarHBondContact O-N 3.16Å; T150-E153 PolarHBondContact O-N 2.67Å; Q151-E153 PolarHBondContact O-N 3.31Å; E153-E156 PolarHBondContact O-N 2.98Å; E153-R157 WeakPolarHBondContact O-CG 3.49Å; E153-R157 PolarHBondContact O-N 3.23Å
154	L	75.4	Confident	74.2	Confident	11 Å²	11	77.4 Å²	77.4	6%	0.058	37%	0.373	C	S	.	.	H	α-helix	trans	-66.4	-43.2	178	-72.2	169.1	0	0	0	111.2	T150 Q151 E156 R157 V158 M209 L210 L213	T150-L154 HydrophobicContact CG2-CD1 4.1Å; T150-L154 WeakPolarHBondContact O-CG 3.43Å; T150-L154 PolarHBondContact O-N 3.42Å; Q151-L154 PolarHBondContact O-N 3.02Å; L154-E156 PolarHBondContact O-N 3.44Å; L154-R157 PolarHBondContact O-N 3.42Å; L154-R157 VanDerWaalsContact O-N 3.15Å; L154-V158 PolarHBondContact O-N 3.17Å; L154-M209 HydrophobicContact CD1-CB 3.91Å; L154-M209 HydrophobicContact CD2-CE 4.21Å; L154-L210 HydrophobicContact CB-CD1 3.79Å; L154-L210 HydrophobicContact CB-CD2 3.97Å; L154-L210 HydrophobicContact CB-CG 3.63Å; L154-L210 HydrophobicContact CD1-CG 4.39Å; L154-L213 HydrophobicContact CD1-CD1 3.77Å
155	Q	79.8	Confident	75	Confident	71 Å²	71	74.8 Å²	74.8	33%	0.332	35%	0.354	S	S	.	.	H	α-helix	trans	-57.6	-40.1	175.1	-76.6	-178.8	-6.5	0	0	111.2	Q151 V158 R159 L210	Q151-Q155 WeakPolarHBondContact O-CB 3.37Å; Q151-Q155 VanDerWaalsContact O-CG 3.29Å; Q151-Q155 WeakPolarHBondContact O-CG 3.36Å; Q151-Q155 PolarHBondContact O-N 3.19Å; Q155-V158 PolarHBondContact O-N 2.88Å; Q155-R159 WeakPolarHBondContact O-CG 3.5Å; Q155-R159 PolarHBondContact O-N 2.76Å; Q155-L210 HydrophobicContact CB-CD2 4.44Å; Q155-L210 HydrophobicContact CG-CD2 3.45Å; Q155-L210 VanDerWaalsContact CG-CD2 3.45Å
156	E	82.7	Confident	75.2	Confident	83 Å²	83	74.2 Å²	74.2	39%	0.388	35%	0.351	S	S	.	.	H	α-helix	trans	-67.7	-38	178.1	-172.4	56.6	-156.1	0	0	112.5	E152 E153 L154 R159 N160	E152-E156 WeakPolarHBondContact O-CB 3.37Å; E152-E156 PolarHBondContact O-N 2.93Å; E153-E156 PolarHBondContact O-N 2.98Å; L154-E156 PolarHBondContact O-N 3.44Å; E156-R159 IonicContact OE2-CZ 2.8Å; E156-R159 IonicContact OE2-NE 2.77Å; E156-R159 PolarHBondContact OE2-NE 2.88Å; E156-R159 VanDerWaalsContact OE2-NE 3.12Å; E156-R159 IonicContact OE2-NH2 2.66Å; E156-R159 PolarHBondContact OE2-NH2 3.24Å; E156-N160 WeakPolarHBondContact O-CB 3.46Å; E156-N160 VanDerWaalsContact O-CG 3.3Å; E156-N160 PolarHBondContact O-N 3.15Å; E156-N160 PolarHBondContact O-ND2 3.36Å; E156-N160 PolarHBondContact OE1-ND2 3.15Å
157	R	77.5	Confident	75.9	Confident	136 Å²	136	76.7 Å²	76.7	51%	0.513	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-46.4	173.6	-70.9	-178.3	-173.6	-167.7	4.5	111.9	E153 L154 N160 A161	E153-R157 WeakPolarHBondContact O-CG 3.49Å; E153-R157 PolarHBondContact O-N 3.23Å; L154-R157 PolarHBondContact O-N 3.42Å; L154-R157 VanDerWaalsContact O-N 3.15Å; R157-N160 PolarHBondContact O-N 3.44Å; R157-A161 WeakPolarHBondContact O-CB 3.29Å; R157-A161 PolarHBondContact O-N 2.93Å
158	V	74.2	Confident	76.3	Confident	11 Å²	11	78.8 Å²	78.8	7%	0.067	36%	0.363	C	S	.	.	H	α-helix	trans	-59.3	-50.3	177	164.8	0	0	0	0	111.2	L154 Q155 N160 A161 E162 F207 L210	L154-V158 PolarHBondContact O-N 3.17Å; Q155-V158 PolarHBondContact O-N 2.88Å; V158-N160 VanDerWaalsContact C-N 3.29Å; V158-N160 PolarHBondContact O-N 3.18Å; V158-A161 PolarHBondContact O-N 2.96Å; V158-A161 VanDerWaalsContact O-N 3.15Å; V158-E162 PolarHBondContact O-N 3.31Å; V158-F207 HydrophobicContact CB-CE2 4.33Å; V158-F207 HydrophobicContact CB-CZ 4.1Å; V158-F207 HydrophobicContact CG1-CE1 3.65Å; V158-F207 HydrophobicContact CG1-CE2 3.86Å; V158-F207 HydrophobicContact CG1-CZ 3.19Å; V158-F207 HydrophobicContact CG2-CD1 4.41Å; V158-F207 HydrophobicContact CG2-CD2 3.96Å; V158-F207 HydrophobicContact CG2-CE1 4.17Å; V158-F207 HydrophobicContact CG2-CE2 3.68Å; V158-F207 HydrophobicContact CG2-CG 4.31Å; V158-F207 HydrophobicContact CG2-CZ 3.8Å; V158-L210 HydrophobicContact CB-CD1 4.26Å; V158-L210 HydrophobicContact CG2-CD1 3.51Å
159	R	78	Confident	76.3	Confident	121 Å²	121	73.8 Å²	73.8	46%	0.457	35%	0.348	S	S	.	.	H	α-helix	trans	-57.5	-41.2	176.9	-77.1	-168.1	-66.3	-109.2	0.9	112.7	Q155 E156 K163	Q155-R159 WeakPolarHBondContact O-CG 3.5Å; Q155-R159 PolarHBondContact O-N 2.76Å; E156-R159 IonicContact OE2-CZ 2.8Å; E156-R159 IonicContact OE2-NE 2.77Å; E156-R159 PolarHBondContact OE2-NE 2.88Å; E156-R159 VanDerWaalsContact OE2-NE 3.12Å; E156-R159 IonicContact OE2-NH2 2.66Å; E156-R159 PolarHBondContact OE2-NH2 3.24Å; R159-K163 WeakPolarHBondContact O-CB 3.49Å; R159-K163 PolarHBondContact O-N 3.01Å
160	N	82.3	Confident	75.8	Confident	82 Å²	82	69.5 Å²	69.5	44%	0.439	34%	0.338	S	S	.	.	H	α-helix	trans	-69.2	-36.9	179.2	-76.2	-46	0	0	0	112.1	E156 R157 V158 A164	E156-N160 WeakPolarHBondContact O-CB 3.46Å; E156-N160 VanDerWaalsContact O-CG 3.3Å; E156-N160 PolarHBondContact O-N 3.15Å; E156-N160 PolarHBondContact O-ND2 3.36Å; E156-N160 PolarHBondContact OE1-ND2 3.15Å; R157-N160 PolarHBondContact O-N 3.44Å; V158-N160 VanDerWaalsContact C-N 3.29Å; V158-N160 PolarHBondContact O-N 3.18Å; N160-A164 VanDerWaalsContact O-CB 3.27Å; N160-A164 WeakPolarHBondContact O-CB 3.21Å; N160-A164 PolarHBondContact O-N 3.46Å
161	A	75	Confident	75.8	Confident	19 Å²	19	72 Å²	72	16%	0.157	35%	0.345	C	S	.	.	H	α-helix	trans	-66	-44.9	174.2	0	0	0	0	0	111.9	R157 V158 A164 C165 E203	R157-A161 WeakPolarHBondContact O-CB 3.29Å; R157-A161 PolarHBondContact O-N 2.93Å; V158-A161 PolarHBondContact O-N 2.96Å; V158-A161 VanDerWaalsContact O-N 3.15Å; A161-A164 PolarHBondContact O-N 3.28Å; A161-C165 PolarHBondContact O-N 2.87Å; A161-E203 HydrophobicContact CB-CG 4.16Å
162	E	74.8	Confident	75.5	Confident	78 Å²	78	72.9 Å²	72.9	36%	0.364	35%	0.35	S	S	.	.	H	α-helix	trans	-56.6	-52.9	174.1	-77.8	177.2	168.6	0	0	111.1	V158 A164 C165 E166 Y200	V158-E162 PolarHBondContact O-N 3.31Å; E162-A164 PolarHBondContact O-N 2.92Å; E162-C165 WeakPolarHBondContact O-CB 3.37Å; E162-C165 PolarHBondContact O-N 3Å; E162-C165 VanDerWaalsContact O-N 3.17Å; E162-E166 WeakPolarHBondContact O-CG 3.33Å; E162-E166 PolarHBondContact O-N 3.12Å; E162-Y200 HydrophobicContact CG-CE2 3.8Å; E162-Y200 WeakPolarHBondContact CG-OH 3.41Å; E162-Y200 PolarHBondContact OE1-OH 3.03Å
163	K	78.8	Confident	74.7	Confident	116 Å²	116	71.7 Å²	71.7	50%	0.504	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-43.2	-179.3	-171.1	-177.9	177.7	-167.7	0	112.3	R159 C165 E166 E167	R159-K163 WeakPolarHBondContact O-CB 3.49Å; R159-K163 PolarHBondContact O-N 3.01Å; K163-C165 VanDerWaalsContact C-N 3.31Å; K163-C165 PolarHBondContact O-N 2.71Å; K163-E166 PolarHBondContact O-N 2.96Å; K163-E167 WeakPolarHBondContact CE-OE1 3.46Å; K163-E167 HydrophobicContact CG-CG 4.48Å; K163-E167 IonicContact NZ-OE1 3.99Å; K163-E167 WeakPolarHBondContact O-CB 3.38Å; K163-E167 WeakPolarHBondContact O-CG 3.5Å; K163-E167 PolarHBondContact O-N 3.44Å
164	A	76.5	Confident	73.8	Confident	45 Å²	45	75.1 Å²	75.1	37%	0.372	36%	0.355	S	S	.	.	H	α-helix	trans	-62.6	-39.6	177.3	0	0	0	0	0	111.8	N160 A161 E162 K168	N160-A164 VanDerWaalsContact O-CB 3.27Å; N160-A164 WeakPolarHBondContact O-CB 3.21Å; N160-A164 PolarHBondContact O-N 3.46Å; A161-A164 PolarHBondContact O-N 3.28Å; E162-A164 PolarHBondContact O-N 2.92Å; A164-K168 VanDerWaalsContact O-CB 3.28Å; A164-K168 WeakPolarHBondContact O-CB 3.3Å; A164-K168 PolarHBondContact O-N 3.49Å
165	C	77.4	Confident	73.5	Confident	13 Å²	13	79.8 Å²	79.8	9%	0.088	38%	0.379	C	S	.	.	H	α-helix	trans	-64.8	-46.2	173.9	160.8	0	0	0	0	111.8	A161 E162 K163 K168 T169 C196	A161-C165 PolarHBondContact O-N 2.87Å; E162-C165 WeakPolarHBondContact O-CB 3.37Å; E162-C165 PolarHBondContact O-N 3Å; E162-C165 VanDerWaalsContact O-N 3.17Å; K163-C165 VanDerWaalsContact C-N 3.31Å; K163-C165 PolarHBondContact O-N 2.71Å; C165-K168 PolarHBondContact O-N 2.95Å; C165-T169 VanDerWaalsContact O-CB 3.31Å; C165-T169 WeakPolarHBondContact O-CB 3.44Å; C165-T169 PolarHBondContact O-N 3.42Å; C165-T169 PolarHBondContact O-OG1 3.02Å; C165-C196 HydrophobicContact CB-CB 4.09Å; C165-C196 WeakPolarHBondContact CB-SG 3.44Å; C165-C196 WeakPolarHBondContact SG-CB 3.31Å; C165-C196 CovalentContact SG-SG 2.01Å; C165-C196 PolarHBondContact SG-SG 3.01Å
166	E	73.5	Confident	72.8	Confident	122 Å²	122	81.3 Å²	81.3	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-61.3	-45.6	179.3	-73.5	-173.1	166.5	0	0	111.9	E162 K163 T169 C170	E162-E166 WeakPolarHBondContact O-CG 3.33Å; E162-E166 PolarHBondContact O-N 3.12Å; K163-E166 PolarHBondContact O-N 2.96Å; E166-T169 PolarHBondContact O-N 3.3Å; E166-C170 VanDerWaalsContact O-CB 3.3Å; E166-C170 WeakPolarHBondContact O-CB 3.27Å; E166-C170 PolarHBondContact O-N 3.47Å; E166-C170 PolarHBondContact O-SG 2.87Å
167	E	77.2	Confident	71.3	Confident	109 Å²	109	80.2 Å²	80.2	51%	0.509	39%	0.385	S	S	.	.	H	α-helix	trans	-62.4	-47.2	177.5	-75.3	-179.7	176.4	0	0	111.3	K163 C170 Q171	K163-E167 WeakPolarHBondContact CE-OE1 3.46Å; K163-E167 HydrophobicContact CG-CG 4.48Å; K163-E167 IonicContact NZ-OE1 3.99Å; K163-E167 WeakPolarHBondContact O-CB 3.38Å; K163-E167 WeakPolarHBondContact O-CG 3.5Å; K163-E167 PolarHBondContact O-N 3.44Å; E167-C170 PolarHBondContact O-N 3.01Å; E167-Q171 VanDerWaalsContact O-CB 3.3Å; E167-Q171 WeakPolarHBondContact O-CB 3.41Å; E167-Q171 PolarHBondContact O-N 3.08Å
168	K	75.8	Confident	70	Confident	75 Å²	75	82.8 Å²	82.8	33%	0.326	40%	0.403	S	S	.	.	H	α-helix	trans	-61.4	-46.8	177.9	-174.1	-175.6	171.3	-162.5	0	111.4	A164 C165 C170 Q171 D172 D195	A164-K168 VanDerWaalsContact O-CB 3.28Å; A164-K168 WeakPolarHBondContact O-CB 3.3Å; A164-K168 PolarHBondContact O-N 3.49Å; C165-K168 PolarHBondContact O-N 2.95Å; K168-C170 VanDerWaalsContact C-N 3.34Å; K168-C170 PolarHBondContact O-N 3.47Å; K168-Q171 PolarHBondContact O-N 3.46Å; K168-D172 WeakPolarHBondContact O-CB 3.19Å; K168-D172 PolarHBondContact O-N 2.85Å; K168-D195 IonicContact NZ-OD2 2.73Å; K168-D195 PolarHBondContact NZ-OD2 3Å
169	T	68.9	Low	68.8	Low	34 Å²	34	88.8 Å²	88.8	21%	0.209	43%	0.428	C	S	.	.	H	α-helix	trans	-62.6	-42.7	179.4	-56.2	0	0	0	0	111.1	C165 E166 L173 L192	C165-T169 VanDerWaalsContact O-CB 3.31Å; C165-T169 WeakPolarHBondContact O-CB 3.44Å; C165-T169 PolarHBondContact O-N 3.42Å; C165-T169 PolarHBondContact O-OG1 3.02Å; E166-T169 PolarHBondContact O-N 3.3Å; T169-L173 HydrophobicContact CG2-CD1 4.24Å; T169-L173 WeakPolarHBondContact O-CB 3.48Å; T169-L173 WeakPolarHBondContact O-CD1 3.29Å; T169-L173 VanDerWaalsContact O-CG 3.28Å; T169-L173 WeakPolarHBondContact O-CG 3.47Å; T169-L173 PolarHBondContact O-N 3.11Å; T169-L192 HydrophobicContact CG2-CB 4.41Å
170	C	61.5	Low	67.3	Low	45 Å²	45	89.4 Å²	89.4	30%	0.304	43%	0.434	S	S	.	.	H	α-helix	trans	-62.4	-50.2	175	-73.6	0	0	0	0	111	E166 E167 K168 D172 L173 W174	E166-C170 VanDerWaalsContact O-CB 3.3Å; E166-C170 WeakPolarHBondContact O-CB 3.27Å; E166-C170 PolarHBondContact O-N 3.47Å; E166-C170 PolarHBondContact O-SG 2.87Å; E167-C170 PolarHBondContact O-N 3.01Å; K168-C170 VanDerWaalsContact C-N 3.34Å; K168-C170 PolarHBondContact O-N 3.47Å; C170-D172 PolarHBondContact O-N 3Å; C170-L173 WeakPolarHBondContact O-CB 3.46Å; C170-L173 PolarHBondContact O-N 2.94Å; C170-W174 PolarHBondContact O-N 2.91Å
171	Q	70.3	Confident	65.6	Low	121 Å²	121	89 Å²	89	57%	0.565	44%	0.437	S	S	*	.	H	α-helix	trans	-61.3	-43.4	-177.3	-171.2	157.6	2.3	0	0	112	E167 K168 L173 W174 D175	E167-Q171 VanDerWaalsContact O-CB 3.3Å; E167-Q171 WeakPolarHBondContact O-CB 3.41Å; E167-Q171 PolarHBondContact O-N 3.08Å; K168-Q171 PolarHBondContact O-N 3.46Å; Q171-L173 VanDerWaalsContact C-N 3.32Å; Q171-L173 PolarHBondContact O-N 2.7Å; Q171-W174 PolarHBondContact O-N 3.48Å; Q171-W174 VanDerWaalsContact O-N 3.1Å; Q171-D175 WeakPolarHBondContact CG-OD2 3.47Å; Q171-D175 WeakPolarHBondContact O-CB 3.48Å; Q171-D175 PolarHBondContact O-N 3.3Å
172	D	68.1	Low	64.5	Low	30 Å²	30	92.3 Å²	92.3	16%	0.16	46%	0.46	C	S	.	.	H	α-helix	trans	-64.1	-35	176.5	-91.3	-51.5	0	0	0	113.1	K168 C170 W174 K176 M188 L192	K168-D172 WeakPolarHBondContact O-CB 3.19Å; K168-D172 PolarHBondContact O-N 2.85Å; C170-D172 PolarHBondContact O-N 3Å; D172-W174 VanDerWaalsContact C-N 3.33Å; D172-K176 IonicContact OD1-NZ 2.82Å; D172-K176 PolarHBondContact OD1-NZ 3.07Å; D172-M188 WeakPolarHBondContact O-CE 3.39Å; D172-L192 HydrophobicContact CB-CD1 3.89Å; D172-L192 HydrophobicContact CB-CD2 3.44Å; D172-L192 VanDerWaalsContact CB-CD2 3.44Å; D172-L192 HydrophobicContact CB-CG 4.31Å; D172-L192 WeakPolarHBondContact OD2-CD2 3.48Å
173	L	62.9	Low	63.4	Low	67 Å²	67	96.3 Å²	96.3	35%	0.351	48%	0.478	S	S	.	.	H	α-helix	trans	-69.2	-30.3	173.7	-74.6	169.2	0	0	0	112.7	T169 C170 Q171 M188 L189 L192	T169-L173 HydrophobicContact CG2-CD1 4.24Å; T169-L173 WeakPolarHBondContact O-CB 3.48Å; T169-L173 WeakPolarHBondContact O-CD1 3.29Å; T169-L173 VanDerWaalsContact O-CG 3.28Å; T169-L173 WeakPolarHBondContact O-CG 3.47Å; T169-L173 PolarHBondContact O-N 3.11Å; C170-L173 WeakPolarHBondContact O-CB 3.46Å; C170-L173 PolarHBondContact O-N 2.94Å; Q171-L173 VanDerWaalsContact C-N 3.32Å; Q171-L173 PolarHBondContact O-N 2.7Å; L173-M188 HydrophobicContact CD2-CE 4.28Å; L173-L189 HydrophobicContact CD1-CD2 4.45Å; L173-L189 HydrophobicContact CD2-CD2 4.13Å; L173-L192 HydrophobicContact CD2-CD1 4.41Å; L173-L192 HydrophobicContact CG-CD1 4.24Å
174	W	59	Low	62.5	Low	189 Å²	189	95.1 Å²	95.1	72%	0.716	48%	0.477	S	S	*	.	H	α-helix	trans	-79.6	-42.2	177.7	-84.2	105.7	0	0	0	113.1	C170 Q171 D172 K176 P177	C170-W174 PolarHBondContact O-N 2.91Å; Q171-W174 PolarHBondContact O-N 3.48Å; Q171-W174 VanDerWaalsContact O-N 3.1Å; D172-W174 VanDerWaalsContact C-N 3.33Å; W174-K176 VanDerWaalsContact C-N 3.33Å; W174-K176 PolarHBondContact O-N 2.97Å; W174-P177 WeakPolarHBondContact O-CD 3.47Å
175	D	70.2	Confident	61.6	Low	108 Å²	108	95.6 Å²	95.6	58%	0.578	47%	0.474	S	S	*	.	H	α-helix	trans	-75.8	-19.7	-173	-74.3	-16.7	0	0	0	113.3	Q171 P177	Q171-D175 WeakPolarHBondContact CG-OD2 3.47Å; Q171-D175 WeakPolarHBondContact O-CB 3.48Å; Q171-D175 PolarHBondContact O-N 3.3Å; D175-P177 VanDerWaalsContact O-CD 3.32Å; D175-P177 WeakPolarHBondContact O-CD 3.28Å
176	K	63.7	Low	60.8	Low	103 Å²	103	101 Å²	101	45%	0.448	50%	0.499	S	S	.	.			trans	-120.7	54.9	-176.8	-63.4	168.2	-171.6	141.9	0	113.2	D172 W174 E178 M188	D172-K176 IonicContact OD1-NZ 2.82Å; D172-K176 PolarHBondContact OD1-NZ 3.07Å; W174-K176 VanDerWaalsContact C-N 3.33Å; W174-K176 PolarHBondContact O-N 2.97Å; K176-E178 VanDerWaalsContact C-N 3.25Å; K176-E178 PolarHBondContact O-N 3.32Å; K176-M188 HydrophobicContact CB-CE 4.1Å; K176-M188 HydrophobicContact CB-SD 4.46Å; K176-M188 HydrophobicContact CD-CE 4.37Å
177	P	51.2	Low	60.3	Low	60 Å²	60	98.7 Å²	98.7	39%	0.39	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-70.9	-21.4	-177	30.4	-32.6	0	0	0	112.8	W174 D175 K179 K180	W174-P177 WeakPolarHBondContact O-CD 3.47Å; D175-P177 VanDerWaalsContact O-CD 3.32Å; D175-P177 WeakPolarHBondContact O-CD 3.28Å; P177-K179 VanDerWaalsContact C-N 3.34Å; P177-K179 PolarHBondContact O-N 3.46Å; P177-K180 WeakPolarHBondContact O-CB 3.44Å; P177-K180 VanDerWaalsContact O-CD 3.24Å; P177-K180 WeakPolarHBondContact O-CD 3.48Å; P177-K180 WeakPolarHBondContact O-CG 3.46Å
178	E	51.4	Low	59.9	Low	190 Å²	190	95.3 Å²	95.3	89%	0.888	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-77.3	-14.1	-172.5	-65.2	-174.4	168	0	0	114.4	K176 K180	K176-E178 VanDerWaalsContact C-N 3.25Å; K176-E178 PolarHBondContact O-N 3.32Å; E178-K180 PolarHBondContact O-N 2.96Å
179	K	48.2	Very low	59.3	Low	138 Å²	138	95.5 Å²	95.5	60%	0.6	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-85.9	11.8	176.3	-74.8	-173.3	177.6	-178.5	0	114.2	P177 S181	P177-K179 VanDerWaalsContact C-N 3.34Å; P177-K179 PolarHBondContact O-N 3.46Å; K179-S181 PolarHBondContact O-N 3.05Å
180	K	46.4	Very low	59.1	Low	134 Å²	134	97.9 Å²	97.9	58%	0.583	50%	0.496	S	S	*	.			trans	-68.2	24.3	-175.9	-78.1	177.7	-176	173.3	0	116.9	P177 E178 S182 N185	P177-K180 WeakPolarHBondContact O-CB 3.44Å; P177-K180 VanDerWaalsContact O-CD 3.24Å; P177-K180 WeakPolarHBondContact O-CD 3.48Å; P177-K180 WeakPolarHBondContact O-CG 3.46Å; E178-K180 PolarHBondContact O-N 2.96Å; K180-S182 PolarHBondContact O-N 3.16Å; K180-N185 WeakPolarHBondContact CA-OD1 3.38Å
181	S	46.3	Very low	59.6	Low	72 Å²	72	99.2 Å²	99.2	50%	0.503	50%	0.502	S	S	.	.	S	Bend	trans	-67.1	128.3	160.1	63.8	0	0	0	0	108.3	K179 H183 N184	K179-S181 PolarHBondContact O-N 3.05Å; S181-H183 PolarHBondContact O-N 3.45Å; S181-N184 PolarHBondContact O-N 3.48Å
182	S	53	Low	59.5	Low	90 Å²	90	94.1 Å²	94.1	63%	0.629	48%	0.479	S	S	*	.	H	α-helix	trans	-49.1	-29.9	-165.5	63.5	0	0	0	0	115.8	K180	K180-S182 PolarHBondContact O-N 3.16Å
183	H	51.5	Low	59.6	Low	162 Å²	162	98 Å²	98	75%	0.75	50%	0.496	S	S	*	.	H	α-helix	trans	-79.7	-26.8	-179.1	-76.5	45.5	0	0	0	113.9	S181	S181-H183 PolarHBondContact O-N 3.45Å
184	N	58.6	Low	59.9	Low	90 Å²	90	98.7 Å²	98.7	48%	0.481	50%	0.5	S	S	.	.	H	α-helix	trans	-82.5	-21.7	177.8	-80.7	-15.1	0	0	0	113	S181 M186 S187 M188	S181-N184 PolarHBondContact O-N 3.48Å; N184-M186 PolarHBondContact O-N 2.93Å; N184-S187 PolarHBondContact O-N 2.88Å; N184-M188 WeakPolarHBondContact O-CB 3.38Å; N184-M188 PolarHBondContact O-N 3.39Å
185	N	58	Low	60.5	Low	56 Å²	56	93 Å²	93	30%	0.299	48%	0.484	S	S	.	.	H	α-helix	trans	-63.4	-41.2	179.1	-74.1	-14.4	0	0	0	112.1	K180 M188 L189	K180-N185 WeakPolarHBondContact CA-OD1 3.38Å; N185-M188 PolarHBondContact O-N 3.1Å; N185-L189 WeakPolarHBondContact O-CB 3.21Å; N185-L189 WeakPolarHBondContact O-CG 3.39Å; N185-L189 PolarHBondContact O-N 3.37Å
186	M	60.2	Low	60.7	Low	127 Å²	127	88.9 Å²	88.9	63%	0.626	46%	0.463	S	S	*	.	H	α-helix	trans	-66.2	-45.9	-179.4	-160.9	74	178.7	0	0	110.7	N184 M188 L189 I190	N184-M186 PolarHBondContact O-N 2.93Å; M186-M188 VanDerWaalsContact C-N 3.32Å; M186-M188 PolarHBondContact O-N 3.45Å; M186-L189 PolarHBondContact O-N 2.98Å; M186-I190 HydrophobicContact CG-CD1 4.03Å; M186-I190 WeakPolarHBondContact O-CB 3.37Å; M186-I190 WeakPolarHBondContact O-CD1 3.4Å; M186-I190 WeakPolarHBondContact O-CG1 3.44Å; M186-I190 PolarHBondContact O-N 2.82Å
187	S	64.9	Low	60.7	Low	73 Å²	73	86.8 Å²	86.8	51%	0.51	46%	0.456	S	S	.	.	H	α-helix	trans	-61.3	-41.5	176.9	-173.1	0	0	0	0	111.8	N184 I190 T191	N184-S187 PolarHBondContact O-N 2.88Å; S187-I190 PolarHBondContact O-N 3.25Å; S187-T191 PolarHBondContact O-N 3.41Å; S187-T191 PolarHBondContact O-OG1 3.35Å
188	M	66.9	Low	61.5	Low	37 Å²	37	88.5 Å²	88.5	18%	0.182	46%	0.459	C	S	.	.	H	α-helix	trans	-65.8	-42.8	177.5	-177.5	175.7	151.6	0	0	111.8	D172 L173 K176 N184 N185 M186 T191 L192	D172-M188 WeakPolarHBondContact O-CE 3.39Å; L173-M188 HydrophobicContact CD2-CE 4.28Å; K176-M188 HydrophobicContact CB-CE 4.1Å; K176-M188 HydrophobicContact CB-SD 4.46Å; K176-M188 HydrophobicContact CD-CE 4.37Å; N184-M188 WeakPolarHBondContact O-CB 3.38Å; N184-M188 PolarHBondContact O-N 3.39Å; N185-M188 PolarHBondContact O-N 3.1Å; M186-M188 VanDerWaalsContact C-N 3.32Å; M186-M188 PolarHBondContact O-N 3.45Å; M188-T191 PolarHBondContact O-N 3.44Å; M188-L192 HydrophobicContact CE-CD1 4.01Å; M188-L192 HydrophobicContact CG-CD1 4.19Å; M188-L192 WeakPolarHBondContact O-CG 3.49Å; M188-L192 PolarHBondContact O-N 3.2Å
189	L	63.1	Low	62.1	Low	80 Å²	80	83 Å²	83	42%	0.419	43%	0.433	S	S	.	.	H	α-helix	trans	-62.4	-41.4	174.6	-81	163.3	0	0	0	111.9	L173 N185 M186 L192 H193	L173-L189 HydrophobicContact CD1-CD2 4.45Å; L173-L189 HydrophobicContact CD2-CD2 4.13Å; N185-L189 WeakPolarHBondContact O-CB 3.21Å; N185-L189 WeakPolarHBondContact O-CG 3.39Å; N185-L189 PolarHBondContact O-N 3.37Å; M186-L189 PolarHBondContact O-N 2.98Å; L189-L192 PolarHBondContact O-N 3.36Å; L189-H193 VanDerWaalsContact O-CB 3.23Å; L189-H193 WeakPolarHBondContact O-CB 3.4Å; L189-H193 PolarHBondContact O-N 2.97Å
190	I	65.6	Low	62.9	Low	84 Å²	84	79.8 Å²	79.8	43%	0.431	42%	0.418	S	S	.	.	H	α-helix	trans	-62.2	-45.6	175.7	-69.7	163.9	0	0	0	110.4	M186 S187 L192 H193 N194	M186-I190 HydrophobicContact CG-CD1 4.03Å; M186-I190 WeakPolarHBondContact O-CB 3.37Å; M186-I190 WeakPolarHBondContact O-CD1 3.4Å; M186-I190 WeakPolarHBondContact O-CG1 3.44Å; M186-I190 PolarHBondContact O-N 2.82Å; S187-I190 PolarHBondContact O-N 3.25Å; I190-L192 PolarHBondContact O-N 3.06Å; I190-H193 PolarHBondContact O-N 3.36Å; I190-N194 WeakPolarHBondContact O-CB 3.44Å; I190-N194 PolarHBondContact O-N 2.92Å
191	T	71.2	Confident	63.6	Low	72 Å²	72	79 Å²	79	44%	0.442	41%	0.414	S	S	.	.	H	α-helix	trans	-62.3	-44.5	177.6	-56.1	0	0	0	0	111.6	S187 M188 H193 N194 D195	S187-T191 PolarHBondContact O-N 3.41Å; S187-T191 PolarHBondContact O-OG1 3.35Å; M188-T191 PolarHBondContact O-N 3.44Å; T191-H193 VanDerWaalsContact C-N 3.33Å; T191-H193 PolarHBondContact O-N 3.06Å; T191-N194 PolarHBondContact O-N 3.43Å; T191-D195 WeakPolarHBondContact O-CB 3.44Å; T191-D195 PolarHBondContact O-N 3.48Å
192	L	68.6	Low	64.7	Low	14 Å²	14	83.6 Å²	83.6	7%	0.073	43%	0.425	C	S	.	.	H	α-helix	trans	-63.8	-40	177	-70.6	170.6	0	0	0	112.2	T169 D172 L173 M188 L189 I190 D195 C196	T169-L192 HydrophobicContact CG2-CB 4.41Å; D172-L192 HydrophobicContact CB-CD1 3.89Å; D172-L192 HydrophobicContact CB-CD2 3.44Å; D172-L192 VanDerWaalsContact CB-CD2 3.44Å; D172-L192 HydrophobicContact CB-CG 4.31Å; D172-L192 WeakPolarHBondContact OD2-CD2 3.48Å; L173-L192 HydrophobicContact CD2-CD1 4.41Å; L173-L192 HydrophobicContact CG-CD1 4.24Å; M188-L192 HydrophobicContact CE-CD1 4.01Å; M188-L192 HydrophobicContact CG-CD1 4.19Å; M188-L192 WeakPolarHBondContact O-CG 3.49Å; M188-L192 PolarHBondContact O-N 3.2Å; L189-L192 PolarHBondContact O-N 3.36Å; I190-L192 PolarHBondContact O-N 3.06Å; L192-D195 PolarHBondContact O-N 3.16Å; L192-C196 WeakPolarHBondContact O-CB 3.28Å; L192-C196 PolarHBondContact O-N 2.98Å
193	H	70.8	Confident	65.5	Low	112 Å²	112	81.9 Å²	81.9	52%	0.519	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-43.7	175.5	-175.7	63	0	0	0	111.7	L189 I190 T191 C196 I197	L189-H193 VanDerWaalsContact O-CB 3.23Å; L189-H193 WeakPolarHBondContact O-CB 3.4Å; L189-H193 PolarHBondContact O-N 2.97Å; I190-H193 PolarHBondContact O-N 3.36Å; T191-H193 VanDerWaalsContact C-N 3.33Å; T191-H193 PolarHBondContact O-N 3.06Å; H193-C196 WeakPolarHBondContact O-CB 3.45Å; H193-C196 PolarHBondContact O-N 2.75Å; H193-I197 VanDerWaalsContact CD2-CD1 3.49Å; H193-I197 WeakPolarHBondContact CD2-CD1 3.43Å; H193-I197 VanDerWaalsContact NE2-CD1 3.31Å; H193-I197 WeakPolarHBondContact NE2-CD1 3.41Å; H193-I197 WeakPolarHBondContact O-CG1 3.27Å; H193-I197 PolarHBondContact O-N 2.85Å
194	N	69.3	Low	66.1	Low	82 Å²	82	78.3 Å²	78.3	44%	0.439	39%	0.391	S	S	.	.	H	α-helix	trans	-64.8	-42.3	176.9	-70.5	-13.1	0	0	0	111.9	I190 T191 C196 I197 E198	I190-N194 WeakPolarHBondContact O-CB 3.44Å; I190-N194 PolarHBondContact O-N 2.92Å; T191-N194 PolarHBondContact O-N 3.43Å; N194-C196 VanDerWaalsContact C-N 3.27Å; N194-C196 PolarHBondContact O-N 3Å; N194-I197 PolarHBondContact O-N 3.2Å; N194-E198 WeakPolarHBondContact O-CG 3.46Å; N194-E198 PolarHBondContact O-N 3.29Å
195	D	71.5	Confident	66.1	Low	69 Å²	69	80.7 Å²	80.7	37%	0.369	39%	0.393	S	S	.	.	H	α-helix	trans	-59.3	-39.7	174.4	-91.8	23.7	0	0	0	112	K168 T191 L192 Q199	K168-D195 IonicContact NZ-OD2 2.73Å; K168-D195 PolarHBondContact NZ-OD2 3Å; T191-D195 WeakPolarHBondContact O-CB 3.44Å; T191-D195 PolarHBondContact O-N 3.48Å; L192-D195 PolarHBondContact O-N 3.16Å; D195-Q199 PolarHBondContact O-N 3.39Å
196	C	74.4	Confident	66.5	Low	21 Å²	21	78.5 Å²	78.5	14%	0.142	38%	0.382	C	S	.	.	H	α-helix	trans	-67.4	-46	174.8	177.9	0	0	0	0	111.7	C165 L192 H193 N194 E198 Q199 Y200	C165-C196 HydrophobicContact CB-CB 4.09Å; C165-C196 WeakPolarHBondContact CB-SG 3.44Å; C165-C196 WeakPolarHBondContact SG-CB 3.31Å; C165-C196 CovalentContact SG-SG 2.01Å; C165-C196 PolarHBondContact SG-SG 3.01Å; L192-C196 WeakPolarHBondContact O-CB 3.28Å; L192-C196 PolarHBondContact O-N 2.98Å; H193-C196 WeakPolarHBondContact O-CB 3.45Å; H193-C196 PolarHBondContact O-N 2.75Å; N194-C196 VanDerWaalsContact C-N 3.27Å; N194-C196 PolarHBondContact O-N 3Å; C196-E198 VanDerWaalsContact C-N 3.25Å; C196-E198 PolarHBondContact O-N 2.92Å; C196-Q199 WeakPolarHBondContact O-CB 3.48Å; C196-Q199 PolarHBondContact O-N 3.46Å; C196-Q199 VanDerWaalsContact O-N 3.09Å; C196-Y200 PolarHBondContact O-N 2.94Å
197	I	64.4	Low	66.5	Low	59 Å²	59	75 Å²	75	30%	0.303	36%	0.364	S	S	.	.	H	α-helix	trans	-56.4	-42.1	175.1	-73.3	168.2	0	0	0	110.3	H193 N194 Q199 Y200 K201	H193-I197 VanDerWaalsContact CD2-CD1 3.49Å; H193-I197 WeakPolarHBondContact CD2-CD1 3.43Å; H193-I197 VanDerWaalsContact NE2-CD1 3.31Å; H193-I197 WeakPolarHBondContact NE2-CD1 3.41Å; H193-I197 WeakPolarHBondContact O-CG1 3.27Å; H193-I197 PolarHBondContact O-N 2.85Å; N194-I197 PolarHBondContact O-N 3.2Å; I197-Q199 VanDerWaalsContact C-N 3.35Å; I197-Q199 PolarHBondContact O-N 3.23Å; I197-Y200 CarbonylContact O-C 3.56Å; I197-Y200 WeakPolarHBondContact O-CA 3.35Å; I197-Y200 VanDerWaalsContact O-CB 3.29Å; I197-Y200 WeakPolarHBondContact O-CB 3.31Å; I197-Y200 PolarHBondContact O-N 2.81Å; I197-Y200 VanDerWaalsContact O-N 3.13Å; I197-K201 HydrophobicContact CG2-CD 4.19Å; I197-K201 HydrophobicContact CG2-CG 4.18Å; I197-K201 WeakPolarHBondContact O-CB 3.48Å; I197-K201 WeakPolarHBondContact O-CG 3.5Å; I197-K201 PolarHBondContact O-N 3.34Å
198	E	67.3	Low	66.4	Low	97 Å²	97	74.7 Å²	74.7	45%	0.453	36%	0.356	S	S	.	.	H	α-helix	trans	-67.1	-33.5	178.5	-73.9	-60.7	137.1	0	0	112.9	N194 C196 K201 K202	N194-E198 WeakPolarHBondContact O-CG 3.46Å; N194-E198 PolarHBondContact O-N 3.29Å; C196-E198 VanDerWaalsContact C-N 3.25Å; C196-E198 PolarHBondContact O-N 2.92Å; E198-K201 WeakPolarHBondContact OE1-CD 3.21Å; E198-K201 IonicContact OE1-NZ 2.86Å; E198-K201 PolarHBondContact OE1-NZ 2.82Å; E198-K202 WeakPolarHBondContact O-CG 3.41Å; E198-K202 PolarHBondContact O-N 2.92Å
199	Q	64.5	Low	66	Low	74 Å²	74	77.4 Å²	77.4	35%	0.346	37%	0.369	S	S	.	.	H	α-helix	trans	-66.8	-39.4	168.9	-77	-174	-21.8	0	0	111.6	D195 C196 I197 K202	D195-Q199 PolarHBondContact O-N 3.39Å; C196-Q199 WeakPolarHBondContact O-CB 3.48Å; C196-Q199 PolarHBondContact O-N 3.46Å; C196-Q199 VanDerWaalsContact O-N 3.09Å; I197-Q199 VanDerWaalsContact C-N 3.35Å; I197-Q199 PolarHBondContact O-N 3.23Å; Q199-K202 PolarHBondContact O-N 3.45Å
200	Y	63.8	Low	66	Low	70 Å²	70	74.5 Å²	74.5	28%	0.275	36%	0.355	S	S	.	.	H	α-helix	trans	-63.4	-43.8	175.6	-124.2	-98.7	0	0	0	112.5	E162 C196 I197 K202 E203 Q204 F207	E162-Y200 HydrophobicContact CG-CE2 3.8Å; E162-Y200 WeakPolarHBondContact CG-OH 3.41Å; E162-Y200 PolarHBondContact OE1-OH 3.03Å; C196-Y200 PolarHBondContact O-N 2.94Å; I197-Y200 CarbonylContact O-C 3.56Å; I197-Y200 WeakPolarHBondContact O-CA 3.35Å; I197-Y200 VanDerWaalsContact O-CB 3.29Å; I197-Y200 WeakPolarHBondContact O-CB 3.31Å; I197-Y200 PolarHBondContact O-N 2.81Å; I197-Y200 VanDerWaalsContact O-N 3.13Å; Y200-K202 PolarHBondContact O-N 3.12Å; Y200-E203 CarbonylContact O-C 3.57Å; Y200-E203 VanDerWaalsContact O-C 3.31Å; Y200-E203 WeakPolarHBondContact O-CA 3.46Å; Y200-E203 PolarHBondContact O-N 3.25Å; Y200-Q204 PolarHBondContact O-N 3.01Å; Y200-F207 HydrophobicContact CD1-CD2 4.33Å; Y200-F207 AromaticContact CD1-CE2 3.66Å; Y200-F207 HydrophobicContact CD1-CE2 3.66Å; Y200-F207 HydrophobicContact CD1-CZ 4.13Å; Y200-F207 HydrophobicContact CE1-CD2 4.1Å; Y200-F207 HydrophobicContact CE1-CE1 4.1Å; Y200-F207 AromaticContact CE1-CE2 3.17Å; Y200-F207 HydrophobicContact CE1-CE2 3.17Å; Y200-F207 AromaticContact CE1-CZ 3.17Å; Y200-F207 HydrophobicContact CE1-CZ 3.17Å; Y200-F207 AromaticContact CZ-CE2 3.76Å; Y200-F207 AromaticContact CZ-CZ 3.48Å; Y200-F207 VanDerWaalsContact CZ-CZ 3.48Å; Y200-F207 WeakPolarHBondContact OH-CZ 3.36Å
201	K	62.3	Low	65.9	Low	117 Å²	117	76.7 Å²	76.7	51%	0.509	36%	0.363	S	S	.	.	H	α-helix	trans	-59.8	-34.3	178.2	-79.3	-180	-177.5	172.5	0	112.5	I197 E198 E203 Q204	I197-K201 HydrophobicContact CG2-CD 4.19Å; I197-K201 HydrophobicContact CG2-CG 4.18Å; I197-K201 WeakPolarHBondContact O-CB 3.48Å; I197-K201 WeakPolarHBondContact O-CG 3.5Å; I197-K201 PolarHBondContact O-N 3.34Å; E198-K201 WeakPolarHBondContact OE1-CD 3.21Å; E198-K201 IonicContact OE1-NZ 2.86Å; E198-K201 PolarHBondContact OE1-NZ 2.82Å; K201-E203 PolarHBondContact O-N 3.12Å; K201-Q204 VanDerWaalsContact O-CB 3.28Å; K201-Q204 WeakPolarHBondContact O-CB 3.35Å; K201-Q204 PolarHBondContact O-N 3.34Å; K201-Q204 VanDerWaalsContact O-N 3.16Å
202	K	69.5	Low	65.3	Low	170 Å²	170	79.2 Å²	79.2	74%	0.739	37%	0.37	S	S	*	.	H	α-helix	trans	-63.4	-27.1	174.1	-71.7	177.9	-177.1	-177.6	0	112.5	E198 Q199 Y200	E198-K202 WeakPolarHBondContact O-CG 3.41Å; E198-K202 PolarHBondContact O-N 2.92Å; Q199-K202 PolarHBondContact O-N 3.45Å; Y200-K202 PolarHBondContact O-N 3.12Å
203	E	68.4	Low	64.8	Low	54 Å²	54	79.8 Å²	79.8	25%	0.252	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	6.7	176	-64.6	-63.8	159.2	0	0	112.9	A161 Y200 K201 R205 S206 F207	A161-E203 HydrophobicContact CB-CG 4.16Å; Y200-E203 CarbonylContact O-C 3.57Å; Y200-E203 VanDerWaalsContact O-C 3.31Å; Y200-E203 WeakPolarHBondContact O-CA 3.46Å; Y200-E203 PolarHBondContact O-N 3.25Å; K201-E203 PolarHBondContact O-N 3.12Å; E203-R205 VanDerWaalsContact C-N 3.25Å; E203-R205 PolarHBondContact O-N 3.31Å; E203-S206 WeakPolarHBondContact O-CA 3.39Å; E203-S206 WeakPolarHBondContact O-CB 3.37Å; E203-S206 PolarHBondContact O-N 3.13Å; E203-S206 PolarHBondContact OE2-OG 3.1Å; E203-F207 PolarHBondContact O-N 3.27Å
204	Q	64.1	Low	64.5	Low	86 Å²	86	77.6 Å²	77.6	40%	0.402	37%	0.365	S	S	.	.	H	α-helix	trans	-55.4	-40.6	-177.4	-173.6	66.1	33.7	0	0	112	Y200 K201 S206 F207 D208	Y200-Q204 PolarHBondContact O-N 3.01Å; K201-Q204 VanDerWaalsContact O-CB 3.28Å; K201-Q204 WeakPolarHBondContact O-CB 3.35Å; K201-Q204 PolarHBondContact O-N 3.34Å; K201-Q204 VanDerWaalsContact O-N 3.16Å; Q204-S206 VanDerWaalsContact C-N 3.29Å; Q204-S206 PolarHBondContact O-N 3.42Å; Q204-F207 WeakPolarHBondContact O-CA 3.47Å; Q204-F207 VanDerWaalsContact O-CB 3.27Å; Q204-F207 WeakPolarHBondContact O-CB 3.47Å; Q204-F207 PolarHBondContact O-N 3.24Å; Q204-D208 PolarHBondContact NE2-OD1 3.05Å; Q204-D208 VanDerWaalsContact O-CG 3.29Å; Q204-D208 PolarHBondContact O-N 3.15Å
205	R	58.8	Low	63.6	Low	141 Å²	141	77.8 Å²	77.8	53%	0.532	36%	0.364	S	S	.	.	H	α-helix	trans	-66	-30.7	176.4	-70.1	-177.9	174.9	169.3	-5.1	112.8	E203 F207 D208 M209 E523	E203-R205 VanDerWaalsContact C-N 3.25Å; E203-R205 PolarHBondContact O-N 3.31Å; R205-F207 VanDerWaalsContact C-N 3.28Å; R205-D208 PolarHBondContact O-N 2.95Å; R205-M209 WeakPolarHBondContact O-CE 3.18Å; R205-M209 WeakPolarHBondContact O-CG 3.42Å; R205-M209 PolarHBondContact O-N 3.41Å; R205-E523 IonicContact NH2-OE1 2.89Å
206	S	67.7	Low	62.6	Low	9 Å²	9	81 Å²	81	6%	0.063	38%	0.375	C	S	.	.	H	α-helix	trans	-65.3	-35.7	172.8	-59	0	0	0	0	110.7	E203 Q204 L210	E203-S206 WeakPolarHBondContact O-CA 3.39Å; E203-S206 WeakPolarHBondContact O-CB 3.37Å; E203-S206 PolarHBondContact O-N 3.13Å; E203-S206 PolarHBondContact OE2-OG 3.1Å; Q204-S206 VanDerWaalsContact C-N 3.29Å; Q204-S206 PolarHBondContact O-N 3.42Å; S206-L210 WeakPolarHBondContact O-CB 3.49Å; S206-L210 WeakPolarHBondContact O-CD1 3.47Å; S206-L210 WeakPolarHBondContact O-CG 3.44Å; S206-L210 PolarHBondContact O-N 3.24Å
207	F	58.6	Low	61.8	Low	54 Å²	54	83.4 Å²	83.4	24%	0.237	38%	0.384	C	S	.	.	H	α-helix	trans	-67	-50	172.3	-84.5	-83.9	0	0	0	112.6	V158 Y200 E203 Q204 R205 M209 L210 E211	V158-F207 HydrophobicContact CB-CE2 4.33Å; V158-F207 HydrophobicContact CB-CZ 4.1Å; V158-F207 HydrophobicContact CG1-CE1 3.65Å; V158-F207 HydrophobicContact CG1-CE2 3.86Å; V158-F207 HydrophobicContact CG1-CZ 3.19Å; V158-F207 HydrophobicContact CG2-CD1 4.41Å; V158-F207 HydrophobicContact CG2-CD2 3.96Å; V158-F207 HydrophobicContact CG2-CE1 4.17Å; V158-F207 HydrophobicContact CG2-CE2 3.68Å; V158-F207 HydrophobicContact CG2-CG 4.31Å; V158-F207 HydrophobicContact CG2-CZ 3.8Å; Y200-F207 HydrophobicContact CD1-CD2 4.33Å; Y200-F207 AromaticContact CD1-CE2 3.66Å; Y200-F207 HydrophobicContact CD1-CE2 3.66Å; Y200-F207 HydrophobicContact CD1-CZ 4.13Å; Y200-F207 HydrophobicContact CE1-CD2 4.1Å; Y200-F207 HydrophobicContact CE1-CE1 4.1Å; Y200-F207 AromaticContact CE1-CE2 3.17Å; Y200-F207 HydrophobicContact CE1-CE2 3.17Å; Y200-F207 AromaticContact CE1-CZ 3.17Å; Y200-F207 HydrophobicContact CE1-CZ 3.17Å; Y200-F207 AromaticContact CZ-CE2 3.76Å; Y200-F207 AromaticContact CZ-CZ 3.48Å; Y200-F207 VanDerWaalsContact CZ-CZ 3.48Å; Y200-F207 WeakPolarHBondContact OH-CZ 3.36Å; E203-F207 PolarHBondContact O-N 3.27Å; Q204-F207 WeakPolarHBondContact O-CA 3.47Å; Q204-F207 VanDerWaalsContact O-CB 3.27Å; Q204-F207 WeakPolarHBondContact O-CB 3.47Å; Q204-F207 PolarHBondContact O-N 3.24Å; R205-F207 VanDerWaalsContact C-N 3.28Å; F207-M209 PolarHBondContact O-N 2.99Å; F207-L210 CarbonylContact O-C 3.53Å; F207-L210 WeakPolarHBondContact O-CA 3.38Å; F207-L210 WeakPolarHBondContact O-CB 3.48Å; F207-L210 PolarHBondContact O-N 3.23Å; F207-E211 PolarHBondContact O-N 3.32Å
208	D	62.9	Low	61.1	Low	67 Å²	67	86.1 Å²	86.1	36%	0.358	40%	0.395	S	S	.	.	H	α-helix	trans	-59.3	-40.3	-178.9	-55	-24.6	0	0	0	110.7	Q204 R205 Q212	Q204-D208 PolarHBondContact NE2-OD1 3.05Å; Q204-D208 VanDerWaalsContact O-CG 3.29Å; Q204-D208 PolarHBondContact O-N 3.15Å; R205-D208 PolarHBondContact O-N 2.95Å; D208-Q212 WeakPolarHBondContact O-CG 3.03Å; D208-Q212 PolarHBondContact O-N 3.41Å; D208-Q212 VanDerWaalsContact O-N 3.16Å
209	M	59.6	Low	60.2	Low	93 Å²	93	89.7 Å²	89.7	46%	0.458	41%	0.406	S	S	.	.	H	α-helix	trans	-66.3	-42.2	172.8	-76.6	-170.9	-74.8	0	0	112.5	L154 R205 F207 E211 Q212 L213	L154-M209 HydrophobicContact CD1-CB 3.91Å; L154-M209 HydrophobicContact CD2-CE 4.21Å; R205-M209 WeakPolarHBondContact O-CE 3.18Å; R205-M209 WeakPolarHBondContact O-CG 3.42Å; R205-M209 PolarHBondContact O-N 3.41Å; F207-M209 PolarHBondContact O-N 2.99Å; M209-E211 VanDerWaalsContact C-N 3.32Å; M209-E211 PolarHBondContact O-N 3.43Å; M209-Q212 PolarHBondContact O-N 3.17Å; M209-L213 WeakPolarHBondContact O-CB 2.79Å; M209-L213 WeakPolarHBondContact O-CG 3.27Å; M209-L213 PolarHBondContact O-N 3.47Å
210	L	62.2	Low	59.4	Low	20 Å²	20	88.9 Å²	88.9	11%	0.105	40%	0.4	C	S	.	.	H	α-helix	trans	-61.1	-40.5	176.4	-92	161.5	0	0	0	112.6	Q151 L154 Q155 V158 S206 F207 L213 D214	Q151-L210 HydrophobicContact CG-CD2 4.24Å; L154-L210 HydrophobicContact CB-CD1 3.79Å; L154-L210 HydrophobicContact CB-CD2 3.97Å; L154-L210 HydrophobicContact CB-CG 3.63Å; L154-L210 HydrophobicContact CD1-CG 4.39Å; Q155-L210 HydrophobicContact CB-CD2 4.44Å; Q155-L210 HydrophobicContact CG-CD2 3.45Å; Q155-L210 VanDerWaalsContact CG-CD2 3.45Å; V158-L210 HydrophobicContact CB-CD1 4.26Å; V158-L210 HydrophobicContact CG2-CD1 3.51Å; S206-L210 WeakPolarHBondContact O-CB 3.49Å; S206-L210 WeakPolarHBondContact O-CD1 3.47Å; S206-L210 WeakPolarHBondContact O-CG 3.44Å; S206-L210 PolarHBondContact O-N 3.24Å; F207-L210 CarbonylContact O-C 3.53Å; F207-L210 WeakPolarHBondContact O-CA 3.38Å; F207-L210 WeakPolarHBondContact O-CB 3.48Å; F207-L210 PolarHBondContact O-N 3.23Å; L210-L213 PolarHBondContact O-N 3.31Å; L210-D214 WeakPolarHBondContact O-CB 3.29Å; L210-D214 PolarHBondContact O-N 3.43Å
211	E	64.1	Low	58.7	Low	130 Å²	130	90 Å²	90	61%	0.607	41%	0.409	S	S	*	.	H	α-helix	trans	-63.1	-47.1	177.8	-174	170.6	-158.3	0	0	110.8	F207 M209 L213 D214 M215	F207-E211 PolarHBondContact O-N 3.32Å; M209-E211 VanDerWaalsContact C-N 3.32Å; M209-E211 PolarHBondContact O-N 3.43Å; E211-L213 VanDerWaalsContact C-N 3.27Å; E211-L213 PolarHBondContact O-N 3.06Å; E211-D214 PolarHBondContact O-N 3.31Å; E211-M215 WeakPolarHBondContact O-CG 3.49Å; E211-M215 PolarHBondContact O-N 2.89Å
212	Q	59	Low	57.7	Low	125 Å²	125	87.5 Å²	87.5	58%	0.584	41%	0.405	S	S	*	.	H	α-helix	trans	-59	-39.7	173.2	-69.6	-179.3	15.1	0	0	112.5	D208 M209 K216	D208-Q212 WeakPolarHBondContact O-CG 3.03Å; D208-Q212 PolarHBondContact O-N 3.41Å; D208-Q212 VanDerWaalsContact O-N 3.16Å; M209-Q212 PolarHBondContact O-N 3.17Å; Q212-K216 PolarHBondContact O-N 2.84Å
213	L	58.3	Low	56.4	Low	26 Å²	26	84.4 Å²	84.4	14%	0.136	39%	0.392	C	S	.	.	H	α-helix	trans	-69.4	-37	178.6	-67.8	171.6	0	0	0	112	Y147 Q151 L154 M209 L210 E211 Q217	Y147-L213 HydrophobicContact CD1-CD2 4.44Å; Y147-L213 HydrophobicContact CD2-CD2 3.73Å; Y147-L213 HydrophobicContact CE1-CB 4.41Å; Y147-L213 HydrophobicContact CE1-CD2 3.93Å; Y147-L213 HydrophobicContact CE2-CD2 3.13Å; Y147-L213 HydrophobicContact CE2-CG 4.46Å; Y147-L213 HydrophobicContact CG-CD2 4.36Å; Y147-L213 VanDerWaalsContact OH-C 3.24Å; Y147-L213 WeakPolarHBondContact OH-CA 3.46Å; Y147-L213 WeakPolarHBondContact OH-CD2 3.34Å; Y147-L213 PolarHBondContact OH-O 3.36Å; Q151-L213 HydrophobicContact CB-CD1 4.13Å; Q151-L213 HydrophobicContact CG-CB 4.39Å; Q151-L213 HydrophobicContact CG-CD1 4.47Å; L154-L213 HydrophobicContact CD1-CD1 3.77Å; M209-L213 WeakPolarHBondContact O-CB 2.79Å; M209-L213 WeakPolarHBondContact O-CG 3.27Å; M209-L213 PolarHBondContact O-N 3.47Å; L210-L213 PolarHBondContact O-N 3.31Å; E211-L213 VanDerWaalsContact C-N 3.27Å; E211-L213 PolarHBondContact O-N 3.06Å; L213-Q217 PolarHBondContact O-N 3.11Å
214	D	64.1	Low	55.1	Low	65 Å²	65	84.3 Å²	84.3	35%	0.348	39%	0.391	S	S	.	.	H	α-helix	trans	-70.4	-41.5	177.9	-159.8	56	0	0	0	111	L210 E211 K216 Q217 Q218	L210-D214 WeakPolarHBondContact O-CB 3.29Å; L210-D214 PolarHBondContact O-N 3.43Å; E211-D214 PolarHBondContact O-N 3.31Å; D214-K216 PolarHBondContact O-N 3.47Å; D214-Q217 PolarHBondContact O-N 2.97Å; D214-Q218 WeakPolarHBondContact O-CG 3.49Å; D214-Q218 PolarHBondContact O-N 3.04Å; D214-Q218 PolarHBondContact OD2-NE2 3.41Å
215	M	50	Low	54.1	Low	87 Å²	87	84 Å²	84	43%	0.429	39%	0.392	S	S	.	.	H	α-helix	trans	-53.5	-49.8	175	-74	-159.4	-47.7	0	0	111.9	E211 Q217 Q218 Y219	E211-M215 WeakPolarHBondContact O-CG 3.49Å; E211-M215 PolarHBondContact O-N 2.89Å; M215-Q217 PolarHBondContact O-N 3.28Å; M215-Q218 WeakPolarHBondContact O-CB 3.41Å; M215-Q218 PolarHBondContact O-N 3.45Å; M215-Q218 VanDerWaalsContact O-N 3.12Å; M215-Y219 HydrophobicContact CB-CD2 4.47Å; M215-Y219 HydrophobicContact CB-CE2 4.26Å; M215-Y219 WeakPolarHBondContact O-CD2 3.42Å; M215-Y219 PolarHBondContact O-N 3.46Å
216	K	51.4	Low	53.3	Low	137 Å²	137	81.1 Å²	81.1	60%	0.596	39%	0.39	S	S	*	.	H	α-helix	trans	-57.6	-37	177.6	-86.3	-178.6	-179.1	-177.6	0	112.7	Y147 Q212 D214 W220	Y147-K216 HydrophobicContact CE2-CD 3.86Å; Y147-K216 WeakPolarHBondContact OH-CB 3.39Å; Q212-K216 PolarHBondContact O-N 2.84Å; D214-K216 PolarHBondContact O-N 3.47Å; K216-W220 PolarHBondContact O-N 2.8Å
217	Q	56.2	Low	52.1	Low	70 Å²	70	87.8 Å²	87.8	33%	0.327	42%	0.418	S	S	.	.	H	α-helix	trans	-73.8	-38.9	176.8	-167.7	162.6	6.4	0	0	112	L213 D214 M215 Y219 W220 I221	L213-Q217 PolarHBondContact O-N 3.11Å; D214-Q217 PolarHBondContact O-N 2.97Å; M215-Q217 PolarHBondContact O-N 3.28Å; Q217-Y219 VanDerWaalsContact C-N 3.31Å; Q217-Y219 PolarHBondContact O-N 3.02Å; Q217-W220 PolarHBondContact O-N 3.05Å; Q217-I221 HydrophobicContact CG-CD1 4.34Å; Q217-I221 WeakPolarHBondContact O-CG1 3.39Å; Q217-I221 PolarHBondContact O-N 2.84Å
218	Q	51.4	Low	51.5	Low	116 Å²	116	92.6 Å²	92.6	54%	0.542	44%	0.441	S	S	.	.	H	α-helix	trans	-62.8	-33.7	174.4	-71.4	-174.5	17.7	0	0	112.6	D214 M215 P222	D214-Q218 WeakPolarHBondContact O-CG 3.49Å; D214-Q218 PolarHBondContact O-N 3.04Å; D214-Q218 PolarHBondContact OD2-NE2 3.41Å; M215-Q218 WeakPolarHBondContact O-CB 3.41Å; M215-Q218 PolarHBondContact O-N 3.45Å; M215-Q218 VanDerWaalsContact O-N 3.12Å; Q218-P222 WeakPolarHBondContact O-CD 3.42Å; Q218-P222 VanDerWaalsContact O-CG 3.27Å; Q218-P222 WeakPolarHBondContact O-CG 3.47Å
219	Y	48.2	Very low	50.4	Low	172 Å²	172	98.3 Å²	98.3	68%	0.675	46%	0.457	S	S	*	.	H	α-helix	trans	-76.2	-32	174.2	-73.7	-67.6	0	0	0	113.1	M215 Q217	M215-Y219 HydrophobicContact CB-CD2 4.47Å; M215-Y219 HydrophobicContact CB-CE2 4.26Å; M215-Y219 WeakPolarHBondContact O-CD2 3.42Å; M215-Y219 PolarHBondContact O-N 3.46Å; Q217-Y219 VanDerWaalsContact C-N 3.31Å; Q217-Y219 PolarHBondContact O-N 3.02Å
220	W	46.8	Very low	49.4	Very low	58 Å²	58	98.2 Å²	98.2	22%	0.22	46%	0.457	C	S	.	.	H	α-helix	trans	-70.9	-37.5	-178.6	-179.3	-113.8	0	0	0	113.6	L141 K142 K216 Q217 F223 Q224	L141-W220 HydrophobicContact CB-CE3 3.88Å; L141-W220 HydrophobicContact CB-CZ3 3.61Å; K142-W220 HydrophobicContact CB-CH2 4.4Å; K142-W220 HydrophobicContact CB-CZ2 4.2Å; K142-W220 HydrophobicContact CG-CZ2 4.35Å; K216-W220 PolarHBondContact O-N 2.8Å; Q217-W220 PolarHBondContact O-N 3.05Å; W220-F223 AromaticContact CE3-CD1 3.94Å; W220-F223 HydrophobicContact CE3-CD1 3.94Å; W220-F223 HydrophobicContact CH2-CD1 4.34Å; W220-F223 HydrophobicContact CH2-CE1 4.4Å; W220-F223 AromaticContact CZ3-CD1 3.63Å; W220-F223 HydrophobicContact CZ3-CD1 3.63Å; W220-F223 AromaticContact CZ3-CE1 3.88Å; W220-F223 HydrophobicContact CZ3-CE1 3.88Å; W220-F223 PolarHBondContact O-N 3.16Å; W220-Q224 HydrophobicContact CD2-CG 4.38Å; W220-Q224 HydrophobicContact CZ2-CG 4.12Å; W220-Q224 PolarHBondContact O-N 3.2Å; W220-Q224 VanDerWaalsContact O-N 3.17Å
221	I	48.9	Very low	48.6	Very low	92 Å²	92	100.6 Å²	100.6	47%	0.472	47%	0.472	S	S	.	.	H	α-helix	trans	-62.8	-50.9	-177	-69	166.3	0	0	0	112.1	Q217 F223 Q224 L225	Q217-I221 HydrophobicContact CG-CD1 4.34Å; Q217-I221 WeakPolarHBondContact O-CG1 3.39Å; Q217-I221 PolarHBondContact O-N 2.84Å; I221-F223 VanDerWaalsContact C-N 3.32Å; I221-F223 PolarHBondContact O-N 3Å; I221-Q224 PolarHBondContact O-N 3.2Å; I221-L225 HydrophobicContact CG2-CD1 4.08Å; I221-L225 PolarHBondContact O-N 3.01Å
222	P	41.4	Very low	47.4	Very low	65 Å²	65	102.8 Å²	102.8	42%	0.422	48%	0.476	S	S	.	.	H	α-helix	trans	-59.2	-40.3	174.5	-24.2	33.5	0	0	0	112.7	Q218 Q224 L225 V226	Q218-P222 WeakPolarHBondContact O-CD 3.42Å; Q218-P222 VanDerWaalsContact O-CG 3.27Å; Q218-P222 WeakPolarHBondContact O-CG 3.47Å; P222-Q224 VanDerWaalsContact C-N 3.31Å; P222-Q224 PolarHBondContact O-N 3.38Å; P222-L225 PolarHBondContact O-N 3.32Å; P222-L225 VanDerWaalsContact O-N 3.17Å; P222-V226 WeakPolarHBondContact O-CB 3.38Å; P222-V226 WeakPolarHBondContact O-CG2 3.4Å; P222-V226 PolarHBondContact O-N 3.14Å
223	F	42.8	Very low	46.7	Very low	106 Å²	106	100.6 Å²	100.6	47%	0.465	48%	0.475	S	S	.	.	H	α-helix	trans	-57.9	-43.4	178.5	178.9	-97.2	0	0	0	111.9	W220 I221 K227	W220-F223 AromaticContact CE3-CD1 3.94Å; W220-F223 HydrophobicContact CE3-CD1 3.94Å; W220-F223 HydrophobicContact CH2-CD1 4.34Å; W220-F223 HydrophobicContact CH2-CE1 4.4Å; W220-F223 AromaticContact CZ3-CD1 3.63Å; W220-F223 HydrophobicContact CZ3-CD1 3.63Å; W220-F223 AromaticContact CZ3-CE1 3.88Å; W220-F223 HydrophobicContact CZ3-CE1 3.88Å; W220-F223 PolarHBondContact O-N 3.16Å; I221-F223 VanDerWaalsContact C-N 3.32Å; I221-F223 PolarHBondContact O-N 3Å; F223-K227 VanDerWaalsContact O-CB 3.27Å; F223-K227 WeakPolarHBondContact O-CB 3.3Å; F223-K227 PolarHBondContact O-N 3.36Å; F223-K227 VanDerWaalsContact O-N 3.13Å
224	Q	41.2	Very low	46.2	Very low	52 Å²	52	104 Å²	104	24%	0.243	49%	0.49	C	S	.	.	H	α-helix	trans	-68.1	-43.4	174.5	-69.7	-63.5	-28.7	0	0	112.4	W220 I221 P222 V226 K227 E228	W220-Q224 HydrophobicContact CD2-CG 4.38Å; W220-Q224 HydrophobicContact CZ2-CG 4.12Å; W220-Q224 PolarHBondContact O-N 3.2Å; W220-Q224 VanDerWaalsContact O-N 3.17Å; I221-Q224 PolarHBondContact O-N 3.2Å; P222-Q224 VanDerWaalsContact C-N 3.31Å; P222-Q224 PolarHBondContact O-N 3.38Å; Q224-V226 VanDerWaalsContact C-N 3.35Å; Q224-V226 PolarHBondContact O-N 3.32Å; Q224-K227 PolarHBondContact O-N 3.43Å; Q224-E228 WeakPolarHBondContact O-CG 3.48Å; Q224-E228 PolarHBondContact O-N 3.05Å
225	L	42.9	Very low	45.3	Very low	78 Å²	78	102.3 Å²	102.3	41%	0.408	49%	0.485	S	S	.	.	H	α-helix	trans	-61.4	-40.9	-178.9	-116	141.4	0	0	0	112.7	I221 P222 R229	I221-L225 HydrophobicContact CG2-CD1 4.08Å; I221-L225 PolarHBondContact O-N 3.01Å; P222-L225 PolarHBondContact O-N 3.32Å; P222-L225 VanDerWaalsContact O-N 3.17Å; L225-R229 WeakPolarHBondContact O-CB 3.47Å; L225-R229 PolarHBondContact O-N 3.07Å
226	V	42.3	Very low	44.9	Very low	82 Å²	82	105.4 Å²	105.4	50%	0.497	49%	0.492	S	S	.	.	H	α-helix	trans	-71.4	-40.8	176.7	173.1	0	0	0	0	110.9	P222 Q224 E228 M230	P222-V226 WeakPolarHBondContact O-CB 3.38Å; P222-V226 WeakPolarHBondContact O-CG2 3.4Å; P222-V226 PolarHBondContact O-N 3.14Å; Q224-V226 VanDerWaalsContact C-N 3.35Å; Q224-V226 PolarHBondContact O-N 3.32Å; V226-E228 VanDerWaalsContact C-N 3.27Å; V226-E228 PolarHBondContact O-N 3.07Å; V226-M230 HydrophobicContact CG1-CE 4.26Å
227	K	42.5	Very low	44.8	Very low	148 Å²	148	101.6 Å²	101.6	64%	0.643	49%	0.486	S	S	*	.	H	α-helix	trans	-60.7	-35.6	177.1	-176.3	-177.9	176.7	-174.7	0	112.5	F223 Q224	F223-K227 VanDerWaalsContact O-CB 3.27Å; F223-K227 WeakPolarHBondContact O-CB 3.3Å; F223-K227 PolarHBondContact O-N 3.36Å; F223-K227 VanDerWaalsContact O-N 3.13Å; Q224-K227 PolarHBondContact O-N 3.43Å
228	E	45.5	Very low	44.2	Very low	155 Å²	155	102.5 Å²	102.5	72%	0.724	49%	0.493	S	S	*	.	H	α-helix	trans	-87.8	-27.9	-175.4	-72.1	-174.8	169.1	0	0	114.9	Q224 V226	Q224-E228 WeakPolarHBondContact O-CG 3.48Å; Q224-E228 PolarHBondContact O-N 3.05Å; V226-E228 VanDerWaalsContact C-N 3.27Å; V226-E228 PolarHBondContact O-N 3.07Å
229	R	39.9	Very low	43.8	Very low	187 Å²	187	104.1 Å²	104.1	71%	0.706	49%	0.494	S	S	*	.	H	α-helix	trans	-105.3	-21.7	-164.8	-70.7	-167.4	-179.6	-175.5	0	117.8	L225 T231	L225-R229 WeakPolarHBondContact O-CB 3.47Å; L225-R229 PolarHBondContact O-N 3.07Å; R229-T231 PolarHBondContact O-N 2.88Å
230	M	39.2	Very low	43.8	Very low	91 Å²	91	100.3 Å²	100.3	45%	0.448	49%	0.485	S	S	.	.			trans	-90.6	111.9	-170.6	-149.4	-177.9	-58.7	0	0	111.8	V226	V226-M230 HydrophobicContact CG1-CE 4.26Å
231	T	43.8	Very low	43.8	Very low	70 Å²	70	104 Å²	104	43%	0.429	51%	0.505	S	S	.	.			trans	-81.5	148.6	175.1	62.8	0	0	0	0	110.9	R229 S233 E234 A235	R229-T231 PolarHBondContact O-N 2.88Å; T231-S233 PolarHBondContact O-N 2.86Å; T231-S233 VanDerWaalsContact O-N 3.1Å; T231-S233 PolarHBondContact OG1-OG 3.08Å; T231-S233 VanDerWaalsContact OG1-OG 3.11Å; T231-E234 PolarHBondContact N-OE2 3.16Å; T231-E234 WeakPolarHBondContact O-CB 3.31Å; T231-E234 PolarHBondContact O-N 2.92Å; T231-E234 WeakPolarHBondContact OG1-CG 3.39Å; T231-E234 PolarHBondContact OG1-OE2 3.16Å; T231-A235 PolarHBondContact O-N 3.24Å
232	Y	40.6	Very low	43.4	Very low	176 Å²	176	102.7 Å²	102.7	69%	0.69	50%	0.501	S	S	*	.	H	α-helix	trans	-50.4	-36.9	177.9	173.8	-93.2	0	0	0	113.4	E234 A235 R236	Y232-E234 PolarHBondContact O-N 3.27Å; Y232-A235 PolarHBondContact O-N 2.94Å; Y232-R236 WeakPolarHBondContact O-CB 3.43Å; Y232-R236 PolarHBondContact O-N 3.3Å
233	S	43.2	Very low	43.4	Very low	79 Å²	79	105.9 Å²	105.9	55%	0.552	51%	0.508	S	S	*	.	H	α-helix	trans	-63.4	-36.8	177.5	38.9	0	0	0	0	113.6	T231 A237	T231-S233 PolarHBondContact O-N 2.86Å; T231-S233 VanDerWaalsContact O-N 3.1Å; T231-S233 PolarHBondContact OG1-OG 3.08Å; T231-S233 VanDerWaalsContact OG1-OG 3.11Å; S233-A237 PolarHBondContact O-N 3.02Å; S233-A237 VanDerWaalsContact O-N 3.1Å
234	E	47.9	Very low	43.5	Very low	99 Å²	99	105.4 Å²	105.4	46%	0.463	51%	0.514	S	S	.	.	H	α-helix	trans	-70.3	-43.2	178.7	-69.9	162.4	146.6	0	0	110.4	T231 Y232 R236 A237 L238	T231-E234 PolarHBondContact N-OE2 3.16Å; T231-E234 WeakPolarHBondContact O-CB 3.31Å; T231-E234 PolarHBondContact O-N 2.92Å; T231-E234 WeakPolarHBondContact OG1-CG 3.39Å; T231-E234 PolarHBondContact OG1-OE2 3.16Å; Y232-E234 PolarHBondContact O-N 3.27Å; E234-R236 VanDerWaalsContact C-N 3.33Å; E234-R236 PolarHBondContact O-N 3.42Å; E234-A237 PolarHBondContact O-N 3.43Å; E234-L238 PolarHBondContact O-N 2.95Å; E234-L238 VanDerWaalsContact O-N 3.13Å
235	A	44.6	Very low	43.2	Very low	28 Å²	28	104.9 Å²	104.9	23%	0.231	52%	0.519	C	S	.	.	H	α-helix	trans	-60.8	-41.6	175.1	0	0	0	0	0	112.2	T231 Y232 W239	T231-A235 PolarHBondContact O-N 3.24Å; Y232-A235 PolarHBondContact O-N 2.94Å; A235-W239 PolarHBondContact O-N 2.87Å; A235-W239 VanDerWaalsContact O-N 3.12Å
236	R	43	Very low	42.8	Very low	152 Å²	152	106.3 Å²	106.3	57%	0.574	53%	0.526	S	S	*	.	H	α-helix	trans	-66.2	-36.6	177.6	-174.1	175.2	-179.6	-110.7	0.8	112.9	Y232 E234 L240	Y232-R236 WeakPolarHBondContact O-CB 3.43Å; Y232-R236 PolarHBondContact O-N 3.3Å; E234-R236 VanDerWaalsContact C-N 3.33Å; E234-R236 PolarHBondContact O-N 3.42Å; R236-L240 PolarHBondContact O-N 3.37Å
237	A	48.9	Very low	42.6	Very low	58 Å²	58	106.5 Å²	106.5	48%	0.479	53%	0.529	S	S	.	.	H	α-helix	trans	-66.8	-47	177.9	0	0	0	0	0	111.4	S233 E234 W239 L240 E241	S233-A237 PolarHBondContact O-N 3.02Å; S233-A237 VanDerWaalsContact O-N 3.1Å; E234-A237 PolarHBondContact O-N 3.43Å; A237-W239 VanDerWaalsContact C-N 3.3Å; A237-W239 PolarHBondContact O-N 3.29Å; A237-L240 PolarHBondContact O-N 3.06Å; A237-L240 VanDerWaalsContact O-N 3.15Å; A237-E241 PolarHBondContact O-N 3.28Å
238	L	44.1	Very low	42.4	Very low	89 Å²	89	105.9 Å²	105.9	47%	0.466	53%	0.532	S	S	.	.	H	α-helix	trans	-55.5	-43.7	174.4	-95	151	0	0	0	112.1	E234 L240 E241 V242	E234-L238 PolarHBondContact O-N 2.95Å; E234-L238 VanDerWaalsContact O-N 3.13Å; L238-L240 PolarHBondContact O-N 3.2Å; L238-E241 WeakPolarHBondContact O-CB 3.39Å; L238-E241 PolarHBondContact O-N 2.87Å; L238-V242 WeakPolarHBondContact O-CG2 3.5Å; L238-V242 PolarHBondContact O-N 3.12Å
239	W	42.5	Very low	41.9	Very low	149 Å²	149	103.4 Å²	103.4	56%	0.564	52%	0.523	S	S	*	.	H	α-helix	trans	-60.4	-41.7	176.7	175.2	-114.7	0	0	0	113.6	A235 A237 E241 K243	A235-W239 PolarHBondContact O-N 2.87Å; A235-W239 VanDerWaalsContact O-N 3.12Å; A237-W239 VanDerWaalsContact C-N 3.3Å; A237-W239 PolarHBondContact O-N 3.29Å; W239-E241 VanDerWaalsContact C-N 3.28Å; W239-E241 PolarHBondContact O-N 3.46Å; W239-K243 WeakPolarHBondContact O-CB 3.43Å; W239-K243 PolarHBondContact O-N 3.4Å
240	L	48.6	Very low	41.6	Very low	93 Å²	93	100.1 Å²	100.1	49%	0.487	52%	0.519	S	S	.	.	H	α-helix	trans	-65.4	-33.2	177.1	-89.2	155.3	0	0	0	112	R236 A237 L238 T244	R236-L240 PolarHBondContact O-N 3.37Å; A237-L240 PolarHBondContact O-N 3.06Å; A237-L240 VanDerWaalsContact O-N 3.15Å; L238-L240 PolarHBondContact O-N 3.2Å; L240-T244 WeakPolarHBondContact O-CG2 3.06Å; L240-T244 PolarHBondContact O-N 3.46Å; L240-T244 PolarHBondContact O-OG1 3.43Å
241	E	45.7	Very low	41.3	Very low	135 Å²	135	100.7 Å²	100.7	63%	0.631	53%	0.529	S	S	*	.	H	α-helix	trans	-70.3	-49.5	177.5	-130	172.7	-170.6	0	0	111.4	A237 L238 W239 K243 T244 A245	A237-E241 PolarHBondContact O-N 3.28Å; L238-E241 WeakPolarHBondContact O-CB 3.39Å; L238-E241 PolarHBondContact O-N 2.87Å; W239-E241 VanDerWaalsContact C-N 3.28Å; W239-E241 PolarHBondContact O-N 3.46Å; E241-K243 PolarHBondContact O-N 3.05Å; E241-T244 PolarHBondContact O-N 2.93Å; E241-T244 PolarHBondContact O-OG1 3.36Å; E241-A245 PolarHBondContact O-N 2.62Å; E241-A245 VanDerWaalsContact O-N 3.12Å
242	V	41.6	Very low	40.7	Very low	65 Å²	65	108 Å²	108	39%	0.394	55%	0.549	S	S	.	.	H	α-helix	trans	-62.1	-43.3	177.5	175.5	0	0	0	0	111.2	L238 T244 A245 L246	L238-V242 WeakPolarHBondContact O-CG2 3.5Å; L238-V242 PolarHBondContact O-N 3.12Å; V242-T244 VanDerWaalsContact C-N 3.28Å; V242-T244 PolarHBondContact O-N 3.39Å; V242-A245 PolarHBondContact O-N 3.25Å; V242-L246 PolarHBondContact O-N 3.39Å; V242-L246 VanDerWaalsContact O-N 3.11Å
243	K	40.5	Very low	40.3	Very low	132 Å²	132	105.4 Å²	105.4	57%	0.574	55%	0.547	S	S	*	.	H	α-helix	trans	-63	-32.4	179.3	-173.9	176.3	179.2	178.1	0	112.9	W239 E241 P247	W239-K243 WeakPolarHBondContact O-CB 3.43Å; W239-K243 PolarHBondContact O-N 3.4Å; E241-K243 PolarHBondContact O-N 3.05Å; K243-P247 WeakPolarHBondContact O-CD 3.47Å
244	T	44.2	Very low	39.7	Very low	95 Å²	95	109.9 Å²	109.9	58%	0.583	56%	0.557	S	S	*	*	H	α-helix	trans	-81.4	-28.4	178.9	46.8	0	0	0	0	112.8	L240 E241 V242	L240-T244 WeakPolarHBondContact O-CG2 3.06Å; L240-T244 PolarHBondContact O-N 3.46Å; L240-T244 PolarHBondContact O-OG1 3.43Å; E241-T244 PolarHBondContact O-N 2.93Å; E241-T244 PolarHBondContact O-OG1 3.36Å; V242-T244 VanDerWaalsContact C-N 3.28Å; V242-T244 PolarHBondContact O-N 3.39Å
245	A	36.7	Very low	38.6	Very low	42 Å²	42	116.4 Å²	116.4	35%	0.347	58%	0.577	S	S	.	*	H	α-helix	trans	-77	-33.3	177.1	0	0	0	0	0	113.4	E241 V242 L248 L249	E241-A245 PolarHBondContact O-N 2.62Å; E241-A245 VanDerWaalsContact O-N 3.12Å; V242-A245 PolarHBondContact O-N 3.25Å; A245-L248 WeakPolarHBondContact O-CB 3.12Å; A245-L248 PolarHBondContact O-N 3.39Å; A245-L249 HydrophobicContact CB-CD1 4.43Å; A245-L249 PolarHBondContact O-N 3.44Å
246	L	33.8	Very low	37.8	Very low	107 Å²	107	121.1 Å²	121.1	56%	0.56	61%	0.605	S	S	*	*	H	α-helix	trans	-56	-43.2	-170	-146.1	73	0	0	0	115	V242 L248 L249	V242-L246 PolarHBondContact O-N 3.39Å; V242-L246 VanDerWaalsContact O-N 3.11Å; L246-L248 VanDerWaalsContact C-N 3.3Å; L246-L248 PolarHBondContact O-N 3.04Å; L246-L249 PolarHBondContact O-N 3.06Å
247	P	37.5	Very low	37.2	Very low	87 Å²	87	117.3 Å²	117.3	57%	0.565	61%	0.606	S	S	*	*	H	α-helix	trans	-70.8	-23.1	178.3	-18.2	32.8	0	0	0	113.8	K243	K243-P247 WeakPolarHBondContact O-CD 3.47Å
248	L	38.8	Very low	36.6	Very low	134 Å²	134	120.9 Å²	120.9	70%	0.702	62%	0.624	S	S	*	*	H	α-helix	trans	-80	-20.7	-179.2	-67.3	172.4	0	0	0	112.6	A245 L246	A245-L248 WeakPolarHBondContact O-CB 3.12Å; A245-L248 PolarHBondContact O-N 3.39Å; L246-L248 VanDerWaalsContact C-N 3.3Å; L246-L248 PolarHBondContact O-N 3.04Å
249	L	34.3	Very low	36	Very low	103 Å²	103	124.9 Å²	124.9	54%	0.539	64%	0.641	S	S	.	*	H	α-helix	trans	-90.8	-27.1	-175.7	-65.9	170.2	0	0	0	113.1	A245 L246 R252	A245-L249 HydrophobicContact CB-CD1 4.43Å; A245-L249 PolarHBondContact O-N 3.44Å; L246-L249 PolarHBondContact O-N 3.06Å; L249-R252 PolarHBondContact O-N 3.33Å
250	L	33.6	Very low	35.5	Very low	118 Å²	118	124.9 Å²	124.9	62%	0.618	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-60.6	-40.1	-175.4	-86	157.7	0	0	0	115.2	R252	L250-R252 VanDerWaalsContact C-N 3.34Å; L250-R252 PolarHBondContact O-N 3.45Å
251	P	32.4	Very low	34.6	Very low	103 Å²	103	130.1 Å²	130.1	67%	0.669	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-76.5	-15.8	-179.8	-18.8	33.2	0	0	0	114.7
252	R	31.4	Very low	34	Very low	225 Å²	225	129 Å²	129	85%	0.849	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-86.6	-10.3	-177.7	-71.3	-171.5	176.7	179.1	0.1	113.7	L249 L250	L249-R252 PolarHBondContact O-N 3.33Å; L250-R252 VanDerWaalsContact C-N 3.34Å; L250-R252 PolarHBondContact O-N 3.45Å
253	L	33	Very low	33.6	Very low	121 Å²	121	133.2 Å²	133.2	63%	0.634	69%	0.69	S	S	*	*	S	Bend	trans	-81.8	-11.8	-178.5	-83.4	158.3	0	0	0	114.7
254	F	30.7	Very low	33.1	Very low	173 Å²	173	137.1 Å²	137.1	76%	0.759	70%	0.701	S	S	*	*	S	Bend	trans	-141.9	71.7	-172.2	-64.7	-77.6	0	0	0	113.9
255	R	24.8	Very low	32.7	Very low	236 Å²	236	140.7 Å²	140.7	89%	0.891	71%	0.711	S	S	*	*			trans	-175.3	106.1	149.1	-113.9	-179.6	-160.3	157	7.3	111.4
256	P	27.3	Very low	32.6	Very low	127 Å²	127	144.1 Å²	144.1	83%	0.825	72%	0.724	S	S	*	*			trans	-82.8	120.3	152.8	8.4	9.4	0	0	0	107.8
257	A	30.5	Very low	32.6	Very low	72 Å²	72	142.3 Å²	142.3	60%	0.595	72%	0.717	S	S	*	*			trans	-74.2	140	174.4	0	0	0	0	0	109.9	E259	A257-E259 PolarHBondContact O-N 3.17Å
258	P	35.8	Very low	32.4	Very low	133 Å²	133	144.6 Å²	144.6	86%	0.864	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	17.5	-167.6	-12.7	29.8	0	0	0	116.4
259	E	31.3	Very low	32.4	Very low	172 Å²	172	141 Å²	141	80%	0.804	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	2.6	-166.2	-66.8	-172.8	-176.5	0	0	116.3	A257 K261	A257-E259 PolarHBondContact O-N 3.17Å; E259-K261 PolarHBondContact O-N 3.36Å
260	D	32.8	Very low	32.4	Very low	149 Å²	149	140.6 Å²	140.6	80%	0.797	71%	0.713	S	S	*	*			trans	-83.4	66	-179.1	-64.9	-34.3	0	0	0	112.7	V262	D260-V262 VanDerWaalsContact C-N 3.32Å; D260-V262 PolarHBondContact O-N 3.13Å
261	K	29.9	Very low	32.5	Very low	203 Å²	203	138.4 Å²	138.4	88%	0.883	70%	0.701	S	S	*	*			trans	-79.4	78.1	158.9	-79.5	-176.9	177.1	175	0	109.2	E259	E259-K261 PolarHBondContact O-N 3.36Å
262	V	32.7	Very low	33	Very low	113 Å²	113	141.9 Å²	141.9	69%	0.685	71%	0.706	S	S	*	*			trans	-135.2	144.7	169.5	-173.9	0	0	0	0	110.8	D260	D260-V262 VanDerWaalsContact C-N 3.32Å; D260-V262 PolarHBondContact O-N 3.13Å
263	M	33.5	Very low	33.6	Very low	153 Å²	153	138.3 Å²	138.3	75%	0.754	70%	0.699	S	S	*	*			trans	-58.4	136.5	-155.5	-73.8	-81.5	-140.3	0	0	115.8	Q265 D266	M263-Q265 PolarHBondContact O-N 3.25Å; M263-D266 PolarHBondContact O-N 3.36Å; M263-D266 VanDerWaalsContact O-N 3.13Å
264	R	29.3	Very low	34	Very low	213 Å²	213	139 Å²	139	80%	0.804	70%	0.698	S	S	*	*	H	α-helix	trans	-44.8	-20.7	-179.9	-158.6	175.7	-167.2	167.6	4	116.9
265	Q	36.7	Very low	34.5	Very low	171 Å²	171	136.6 Å²	136.6	80%	0.799	69%	0.69	S	S	*	*	H	α-helix	trans	-80.8	-25.2	-178.2	-80	-179.6	-24.9	0	0	113.9	M263	M263-Q265 PolarHBondContact O-N 3.25Å
266	D	35.6	Very low	35.4	Very low	113 Å²	113	132.9 Å²	132.9	60%	0.604	68%	0.68	S	S	*	*	H	α-helix	trans	-80.3	-25.2	175.8	-64.1	-35.6	0	0	0	111.5	M263	M263-D266 PolarHBondContact O-N 3.36Å; M263-D266 VanDerWaalsContact O-N 3.13Å
267	V	33	Very low	36.4	Very low	70 Å²	70	132.1 Å²	132.1	42%	0.424	67%	0.665	S	S	.	*	H	α-helix	trans	-75.5	-34.5	-177.1	179.4	0	0	0	0	112.3	G269 L270 I271	V267-G269 PolarHBondContact O-N 3.1Å; V267-L270 PolarHBondContact O-N 2.89Å; V267-L270 VanDerWaalsContact O-N 3.11Å; V267-I271 HydrophobicContact CG1-CD1 3.57Å; V267-I271 HydrophobicContact CG1-CG1 3.88Å; V267-I271 VanDerWaalsContact O-CG1 3.31Å; V267-I271 WeakPolarHBondContact O-CG1 3.32Å; V267-I271 PolarHBondContact O-N 2.96Å
268	E	33.2	Very low	37	Very low	135 Å²	135	136 Å²	136	63%	0.631	67%	0.666	S	S	*	*	H	α-helix	trans	-66.4	-25.6	177.3	-81.2	-179.8	174.9	0	0	113.1
269	G	37.9	Very low	37.1	Very low	57 Å²	57	134.6 Å²	134.6	59%	0.588	65%	0.65	S	S	*	*	H	α-helix	trans	-72.8	-35.6	172	0	0	0	0	0	113.1	V267	V267-G269 PolarHBondContact O-N 3.1Å
270	L	34.2	Very low	37.6	Very low	96 Å²	96	132.9 Å²	132.9	50%	0.503	64%	0.641	S	S	.	*	H	α-helix	trans	-84.3	-33.9	-176.2	-77.3	162.8	0	0	0	113.3	V267 K272 Q273 E274	V267-L270 PolarHBondContact O-N 2.89Å; V267-L270 VanDerWaalsContact O-N 3.11Å; L270-K272 PolarHBondContact O-N 3.26Å; L270-Q273 PolarHBondContact O-N 3.22Å; L270-E274 PolarHBondContact O-N 3.23Å; L270-E274 VanDerWaalsContact O-N 3.08Å
271	I	37.5	Very low	38.1	Very low	71 Å²	71	129.8 Å²	129.8	36%	0.364	62%	0.624	S	S	.	*	H	α-helix	trans	-57.3	-36.5	-179.7	-73.4	171.3	0	0	0	111.8	V267 Q273 E274 E275	V267-I271 HydrophobicContact CG1-CD1 3.57Å; V267-I271 HydrophobicContact CG1-CG1 3.88Å; V267-I271 VanDerWaalsContact O-CG1 3.31Å; V267-I271 WeakPolarHBondContact O-CG1 3.32Å; V267-I271 PolarHBondContact O-N 2.96Å; I271-Q273 PolarHBondContact O-N 3.08Å; I271-E274 PolarHBondContact O-N 3.02Å; I271-E275 HydrophobicContact CG2-CG 4.2Å; I271-E275 PolarHBondContact O-N 2.91Å; I271-E275 VanDerWaalsContact O-N 3.09Å
272	K	42.3	Very low	38.5	Very low	176 Å²	176	123.3 Å²	123.3	77%	0.765	60%	0.599	S	S	*	*	H	α-helix	trans	-68.3	-18.1	179.2	-73.4	-171.1	177.1	-179.1	0	114.4	L270	L270-K272 PolarHBondContact O-N 3.26Å
273	Q	43.4	Very low	38.7	Very low	151 Å²	151	123.2 Å²	123.2	71%	0.706	59%	0.594	S	S	*	*	H	α-helix	trans	-98.6	-37	178.1	-126.4	175.3	-7.7	0	0	111.7	L270 I271 Q277	L270-Q273 PolarHBondContact O-N 3.22Å; I271-Q273 PolarHBondContact O-N 3.08Å; Q273-Q277 PolarHBondContact O-N 2.89Å
274	E	42.6	Very low	39	Very low	134 Å²	134	119.5 Å²	119.5	63%	0.626	58%	0.58	S	S	*	*	H	α-helix	trans	-73	-38.7	178.7	-77.3	-175.8	158.3	0	0	113.3	L270 I271 K276 Q277 Y278	L270-E274 PolarHBondContact O-N 3.23Å; L270-E274 VanDerWaalsContact O-N 3.08Å; I271-E274 PolarHBondContact O-N 3.02Å; E274-K276 PolarHBondContact O-N 2.8Å; E274-Q277 PolarHBondContact O-N 3.25Å; E274-Q277 VanDerWaalsContact O-N 3.16Å; E274-Y278 WeakPolarHBondContact O-CB 3.33Å; E274-Y278 PolarHBondContact O-N 3.24Å
275	E	40.7	Very low	39.6	Very low	123 Å²	123	113.7 Å²	113.7	58%	0.575	56%	0.562	S	S	*	*	H	α-helix	trans	-61.8	-35.3	175.6	-81.3	-177.9	154	0	0	112.1	I271 L279	I271-E275 HydrophobicContact CG2-CG 4.2Å; I271-E275 PolarHBondContact O-N 2.91Å; I271-E275 VanDerWaalsContact O-N 3.09Å; E275-L279 WeakPolarHBondContact O-CB 3.42Å; E275-L279 WeakPolarHBondContact O-CG 3.48Å; E275-L279 PolarHBondContact O-N 3.38Å
276	K	43.5	Very low	39.6	Very low	159 Å²	159	110.7 Å²	110.7	69%	0.691	55%	0.551	S	S	*	*	H	α-helix	trans	-70.4	-35.8	178.6	-154.8	178	-174.4	-178.7	0	111.6	E274 F280	E274-K276 PolarHBondContact O-N 2.8Å; K276-F280 WeakPolarHBondContact O-CB 3.09Å; K276-F280 PolarHBondContact O-N 3.03Å
277	Q	47.6	Very low	39.8	Very low	110 Å²	110	110 Å²	110	51%	0.514	55%	0.547	S	S	.	.	H	α-helix	trans	-71.4	-43.9	175.1	-169.6	62.2	43.3	0	0	110.9	Q273 E274 L279 F280 D281	Q273-Q277 PolarHBondContact O-N 2.89Å; E274-Q277 PolarHBondContact O-N 3.25Å; E274-Q277 VanDerWaalsContact O-N 3.16Å; Q277-L279 PolarHBondContact O-N 3.25Å; Q277-F280 WeakPolarHBondContact O-CB 3.14Å; Q277-F280 PolarHBondContact O-N 3.27Å; Q277-F280 VanDerWaalsContact O-N 3.12Å; Q277-D281 PolarHBondContact NE2-OD1 3.4Å; Q277-D281 WeakPolarHBondContact O-CB 3.36Å; Q277-D281 PolarHBondContact O-N 2.79Å
278	Y	43.1	Very low	40	Very low	153 Å²	153	109.9 Å²	109.9	60%	0.6	55%	0.547	S	S	*	.	H	α-helix	trans	-58.9	-45.7	177.5	179.1	-103.4	0	0	0	112.6	E274 F280 D281 L282	E274-Y278 WeakPolarHBondContact O-CB 3.33Å; E274-Y278 PolarHBondContact O-N 3.24Å; Y278-F280 VanDerWaalsContact C-N 3.32Å; Y278-F280 PolarHBondContact O-N 3.2Å; Y278-D281 PolarHBondContact O-N 2.8Å; Y278-L282 WeakPolarHBondContact O-CB 3.49Å; Y278-L282 PolarHBondContact O-N 2.95Å
279	L	37.6	Very low	40.3	Very low	104 Å²	104	109.3 Å²	109.3	55%	0.545	54%	0.542	S	S	.	.	H	α-helix	trans	-65	-35.9	175.6	-78.4	166.1	0	0	0	112.3	E275 Q277 L283	E275-L279 WeakPolarHBondContact O-CB 3.42Å; E275-L279 WeakPolarHBondContact O-CG 3.48Å; E275-L279 PolarHBondContact O-N 3.38Å; Q277-L279 PolarHBondContact O-N 3.25Å; L279-L283 WeakPolarHBondContact O-CB 3.27Å; L279-L283 WeakPolarHBondContact O-CG 3.4Å; L279-L283 PolarHBondContact O-N 3.44Å
280	F	42.5	Very low	40.3	Very low	136 Å²	136	114.6 Å²	114.6	60%	0.596	54%	0.544	S	S	*	.	H	α-helix	trans	-68.9	-39.3	176.5	-143.3	-84.9	0	0	0	111.6	K276 Q277 Y278 T284	K276-F280 WeakPolarHBondContact O-CB 3.09Å; K276-F280 PolarHBondContact O-N 3.03Å; Q277-F280 WeakPolarHBondContact O-CB 3.14Å; Q277-F280 PolarHBondContact O-N 3.27Å; Q277-F280 VanDerWaalsContact O-N 3.12Å; Y278-F280 VanDerWaalsContact C-N 3.32Å; Y278-F280 PolarHBondContact O-N 3.2Å; F280-T284 WeakPolarHBondContact O-CB 3.33Å; F280-T284 PolarHBondContact O-N 2.67Å; F280-T284 PolarHBondContact O-OG1 3.37Å
281	D	43.2	Very low	40.4	Very low	84 Å²	84	113.9 Å²	113.9	45%	0.449	54%	0.538	S	S	.	.	H	α-helix	trans	-67.1	-42.6	177.5	-65.4	-16.5	0	0	0	110.5	Q277 Y278 T284 E285	Q277-D281 PolarHBondContact NE2-OD1 3.4Å; Q277-D281 WeakPolarHBondContact O-CB 3.36Å; Q277-D281 PolarHBondContact O-N 2.79Å; Y278-D281 PolarHBondContact O-N 2.8Å; D281-T284 PolarHBondContact O-N 3Å; D281-E285 WeakPolarHBondContact O-CB 3.45Å; D281-E285 PolarHBondContact O-N 3.05Å
282	L	38.6	Very low	40.2	Very low	67 Å²	67	117 Å²	117	35%	0.351	55%	0.547	S	S	.	.	H	α-helix	trans	-65.8	-41.7	177.3	-152	91.8	0	0	0	112.5	Y278 T284 E285 L286	Y278-L282 WeakPolarHBondContact O-CB 3.49Å; Y278-L282 PolarHBondContact O-N 2.95Å; L282-T284 VanDerWaalsContact C-N 3.34Å; L282-E285 PolarHBondContact O-N 3.43Å; L282-L286 PolarHBondContact O-N 2.97Å
283	L	37	Very low	39.9	Very low	112 Å²	112	114.2 Å²	114.2	59%	0.586	54%	0.54	S	S	*	.	H	α-helix	trans	-63.9	-40.9	174.3	-87.6	161.6	0	0	0	111.5	L279 E285 L286 D287	L279-L283 WeakPolarHBondContact O-CB 3.27Å; L279-L283 WeakPolarHBondContact O-CG 3.4Å; L279-L283 PolarHBondContact O-N 3.44Å; L283-E285 VanDerWaalsContact C-N 3.32Å; L283-E285 PolarHBondContact O-N 3.18Å; L283-L286 PolarHBondContact O-N 3.33Å; L283-D287 WeakPolarHBondContact O-CB 3.46Å; L283-D287 PolarHBondContact O-N 3.5Å
284	T	40.6	Very low	39.7	Very low	74 Å²	74	111.4 Å²	111.4	45%	0.454	53%	0.529	S	S	.	.	H	α-helix	trans	-65.7	-37.2	176	-54.3	0	0	0	0	111.2	F280 D281 L282 T288	F280-T284 WeakPolarHBondContact O-CB 3.33Å; F280-T284 PolarHBondContact O-N 2.67Å; F280-T284 PolarHBondContact O-OG1 3.37Å; D281-T284 PolarHBondContact O-N 3Å; L282-T284 VanDerWaalsContact C-N 3.34Å; T284-T288 WeakPolarHBondContact O-CB 3.47Å; T284-T288 PolarHBondContact O-N 3.09Å; T284-T288 PolarHBondContact O-OG1 2.84Å
285	E	40.2	Very low	39.3	Very low	92 Å²	92	108.5 Å²	108.5	43%	0.43	52%	0.517	S	S	.	.	H	α-helix	trans	-67.2	-41.7	175.6	-163.4	-170.2	146.4	0	0	112.4	D281 L282 L283 T288 K289	D281-E285 WeakPolarHBondContact O-CB 3.45Å; D281-E285 PolarHBondContact O-N 3.05Å; L282-E285 PolarHBondContact O-N 3.43Å; L283-E285 VanDerWaalsContact C-N 3.32Å; L283-E285 PolarHBondContact O-N 3.18Å; E285-T288 VanDerWaalsContact CA-OG1 3.29Å; E285-T288 WeakPolarHBondContact CA-OG1 3.38Å; E285-T288 PolarHBondContact O-N 2.89Å; E285-T288 PolarHBondContact O-OG1 3.16Å; E285-K289 PolarHBondContact O-N 3.38Å; E285-K289 IonicContact OE1-NZ 2.97Å; E285-K289 PolarHBondContact OE1-NZ 2.93Å
286	L	37.5	Very low	39.1	Very low	107 Å²	107	105.6 Å²	105.6	56%	0.56	51%	0.508	S	S	*	.	H	α-helix	trans	-66.8	-44	176.6	-82.5	162.1	0	0	0	111.8	L282 L283 T288 K289 W290	L282-L286 PolarHBondContact O-N 2.97Å; L283-L286 PolarHBondContact O-N 3.33Å; L286-T288 VanDerWaalsContact C-N 3.31Å; L286-T288 PolarHBondContact O-N 3.25Å; L286-K289 PolarHBondContact O-N 3.28Å; L286-W290 WeakPolarHBondContact O-CB 3.19Å; L286-W290 PolarHBondContact O-N 2.89Å
287	D	40.1	Very low	38.8	Very low	99 Å²	99	101.8 Å²	101.8	53%	0.529	50%	0.501	S	S	.	.	H	α-helix	trans	-62.6	-38	175.1	-96.2	-6.6	0	0	0	111.8	L283 Q291	L283-D287 WeakPolarHBondContact O-CB 3.46Å; L283-D287 PolarHBondContact O-N 3.5Å; D287-Q291 WeakPolarHBondContact O-CB 3.34Å; D287-Q291 WeakPolarHBondContact O-CG 3.43Å; D287-Q291 PolarHBondContact O-N 3.42Å
288	T	37.6	Very low	38.2	Very low	68 Å²	68	102.6 Å²	102.6	42%	0.417	50%	0.503	S	S	.	.	H	α-helix	trans	-71.4	-38.3	177.1	36.9	0	0	0	0	113	T284 E285 L286 Q291 Y292	T284-T288 WeakPolarHBondContact O-CB 3.47Å; T284-T288 PolarHBondContact O-N 3.09Å; T284-T288 PolarHBondContact O-OG1 2.84Å; E285-T288 VanDerWaalsContact CA-OG1 3.29Å; E285-T288 WeakPolarHBondContact CA-OG1 3.38Å; E285-T288 PolarHBondContact O-N 2.89Å; E285-T288 PolarHBondContact O-OG1 3.16Å; L286-T288 VanDerWaalsContact C-N 3.31Å; L286-T288 PolarHBondContact O-N 3.25Å; T288-Q291 PolarHBondContact O-N 2.8Å; T288-Y292 VanDerWaalsContact O-CB 3.31Å; T288-Y292 WeakPolarHBondContact O-CB 3.42Å; T288-Y292 PolarHBondContact O-N 2.91Å
289	K	38.8	Very low	37.6	Very low	123 Å²	123	98.7 Å²	98.7	54%	0.535	50%	0.495	S	S	.	.	H	α-helix	trans	-63.7	-40.2	172.7	-86.4	175.1	174.1	151.2	0	112.2	E285 L286 Y292 D293	E285-K289 PolarHBondContact O-N 3.38Å; E285-K289 IonicContact OE1-NZ 2.97Å; E285-K289 PolarHBondContact OE1-NZ 2.93Å; L286-K289 PolarHBondContact O-N 3.28Å; K289-Y292 VanDerWaalsContact O-CB 3.32Å; K289-Y292 WeakPolarHBondContact O-CB 3.35Å; K289-Y292 PolarHBondContact O-N 3.46Å; K289-D293 PolarHBondContact O-N 3.35Å
290	W	37.7	Very low	37.7	Very low	167 Å²	167	99 Å²	99	63%	0.633	50%	0.501	S	S	*	.	H	α-helix	trans	-68.1	-39.8	177.4	-175	69.7	0	0	0	112.3	L286 Y292 I294	L286-W290 WeakPolarHBondContact O-CB 3.19Å; L286-W290 PolarHBondContact O-N 2.89Å; W290-Y292 VanDerWaalsContact C-N 3.31Å; W290-Y292 PolarHBondContact O-N 2.78Å; W290-I294 HydrophobicContact CD2-CD1 4.39Å; W290-I294 HydrophobicContact CH2-CD1 4.18Å; W290-I294 HydrophobicContact CZ2-CD1 4.04Å; W290-I294 HydrophobicContact CZ3-CD1 4.41Å
291	Q	36.3	Very low	37.6	Very low	81 Å²	81	100.5 Å²	100.5	38%	0.379	51%	0.51	S	S	.	.	H	α-helix	trans	-66.8	-32.2	172.8	-72.5	-171.7	9.1	0	0	112.7	D287 T288 I294 L295	D287-Q291 WeakPolarHBondContact O-CB 3.34Å; D287-Q291 WeakPolarHBondContact O-CG 3.43Å; D287-Q291 PolarHBondContact O-N 3.42Å; T288-Q291 PolarHBondContact O-N 2.8Å; Q291-I294 PolarHBondContact O-N 3.22Å; Q291-L295 WeakPolarHBondContact O-CB 3.45Å; Q291-L295 WeakPolarHBondContact O-CD1 3.21Å; Q291-L295 PolarHBondContact O-N 3.15Å
292	Y	32.8	Very low	37.4	Very low	138 Å²	138	103.2 Å²	103.2	54%	0.541	52%	0.52	S	S	.	.	H	α-helix	trans	-59.2	-46.5	178.3	-175.7	-93.1	0	0	0	112.7	T288 K289 W290 I294 L295 V296	T288-Y292 VanDerWaalsContact O-CB 3.31Å; T288-Y292 WeakPolarHBondContact O-CB 3.42Å; T288-Y292 PolarHBondContact O-N 2.91Å; K289-Y292 VanDerWaalsContact O-CB 3.32Å; K289-Y292 WeakPolarHBondContact O-CB 3.35Å; K289-Y292 PolarHBondContact O-N 3.46Å; W290-Y292 VanDerWaalsContact C-N 3.31Å; W290-Y292 PolarHBondContact O-N 2.78Å; Y292-I294 VanDerWaalsContact C-N 3.32Å; Y292-I294 PolarHBondContact O-N 3.31Å; Y292-L295 PolarHBondContact O-N 3.05Å; Y292-L295 VanDerWaalsContact O-N 3.12Å; Y292-V296 HydrophobicContact CD1-CG2 4Å; Y292-V296 HydrophobicContact CE1-CG2 3.66Å; Y292-V296 HydrophobicContact CE2-CG2 4.26Å; Y292-V296 HydrophobicContact CG-CG2 4.44Å; Y292-V296 WeakPolarHBondContact O-CG2 3.36Å; Y292-V296 PolarHBondContact O-N 3.06Å
293	D	37.9	Very low	37.2	Very low	116 Å²	116	103.3 Å²	103.3	62%	0.62	52%	0.519	S	S	*	.	H	α-helix	trans	-64.5	-36.1	-179.8	-91.4	-0.2	0	0	0	112.8	K289 L295 S297	K289-D293 PolarHBondContact O-N 3.35Å; D293-L295 VanDerWaalsContact C-N 3.34Å; D293-S297 PolarHBondContact O-OG 3.4Å
294	I	37.6	Very low	37.7	Very low	92 Å²	92	101 Å²	101	47%	0.472	51%	0.51	S	S	.	.	H	α-helix	trans	-68	-38	175	-61.3	174.9	0	0	0	110.5	W290 Q291 Y292	W290-I294 HydrophobicContact CD2-CD1 4.39Å; W290-I294 HydrophobicContact CH2-CD1 4.18Å; W290-I294 HydrophobicContact CZ2-CD1 4.04Å; W290-I294 HydrophobicContact CZ3-CD1 4.41Å; Q291-I294 PolarHBondContact O-N 3.22Å; Y292-I294 VanDerWaalsContact C-N 3.32Å; Y292-I294 PolarHBondContact O-N 3.31Å
295	L	35.7	Very low	37.8	Very low	74 Å²	74	103 Å²	103	39%	0.387	51%	0.51	S	S	.	.	H	α-helix	trans	-75.7	-42	-176.5	-95.2	149.6	0	0	0	113.7	Q291 Y292 D293 S297 K298 V299	Q291-L295 WeakPolarHBondContact O-CB 3.45Å; Q291-L295 WeakPolarHBondContact O-CD1 3.21Å; Q291-L295 PolarHBondContact O-N 3.15Å; Y292-L295 PolarHBondContact O-N 3.05Å; Y292-L295 VanDerWaalsContact O-N 3.12Å; D293-L295 VanDerWaalsContact C-N 3.34Å; L295-S297 VanDerWaalsContact C-N 3.27Å; L295-S297 PolarHBondContact O-N 2.86Å; L295-K298 PolarHBondContact O-N 3.31Å; L295-V299 WeakPolarHBondContact O-CG2 3.41Å; L295-V299 PolarHBondContact O-N 3.37Å
296	V	34.6	Very low	38.3	Very low	62 Å²	62	104.8 Å²	104.8	38%	0.376	52%	0.518	S	S	.	.	H	α-helix	trans	-60.1	-41.7	-179.8	170.7	0	0	0	0	110.7	Y292 K298 V299 V300	Y292-V296 HydrophobicContact CD1-CG2 4Å; Y292-V296 HydrophobicContact CE1-CG2 3.66Å; Y292-V296 HydrophobicContact CE2-CG2 4.26Å; Y292-V296 HydrophobicContact CG-CG2 4.44Å; Y292-V296 WeakPolarHBondContact O-CG2 3.36Å; Y292-V296 PolarHBondContact O-N 3.06Å; V296-K298 VanDerWaalsContact C-N 3.26Å; V296-K298 PolarHBondContact O-N 2.88Å; V296-V299 PolarHBondContact O-N 3.41Å; V296-V300 VanDerWaalsContact O-CG2 3.29Å; V296-V300 WeakPolarHBondContact O-CG2 3.48Å; V296-V300 PolarHBondContact O-N 2.78Å
297	S	37.5	Very low	38.9	Very low	79 Å²	79	104.6 Å²	104.6	55%	0.552	51%	0.514	S	S	*	.	H	α-helix	trans	-61.9	-35.9	177.6	-67.1	0	0	0	0	111.7	D293 L295	D293-S297 PolarHBondContact O-OG 3.4Å; L295-S297 VanDerWaalsContact C-N 3.27Å; L295-S297 PolarHBondContact O-N 2.86Å
298	K	34.6	Very low	39.2	Very low	126 Å²	126	101.2 Å²	101.2	55%	0.548	50%	0.497	S	S	.	.	H	α-helix	trans	-80.6	-37.3	-177.9	-142.2	176.7	-176.6	-175.5	0	113.6	L295 V296 E301	L295-K298 PolarHBondContact O-N 3.31Å; V296-K298 VanDerWaalsContact C-N 3.26Å; V296-K298 PolarHBondContact O-N 2.88Å; K298-E301 PolarHBondContact O-N 3.43Å
299	V	32.4	Very low	39.7	Very low	72 Å²	72	102 Å²	102	44%	0.436	50%	0.496	S	S	.	.	H	α-helix	trans	-68.5	-35	178.9	173.8	0	0	0	0	111.5	L295 V296 E301 E302 M303	L295-V299 WeakPolarHBondContact O-CG2 3.41Å; L295-V299 PolarHBondContact O-N 3.37Å; V296-V299 PolarHBondContact O-N 3.41Å; V299-E301 VanDerWaalsContact C-N 3.29Å; V299-E301 PolarHBondContact O-N 2.87Å; V299-E302 PolarHBondContact O-N 3.19Å; V299-M303 HydrophobicContact CG1-CE 4.41Å; V299-M303 HydrophobicContact CG1-CG 4.25Å; V299-M303 HydrophobicContact CG1-SD 3.99Å; V299-M303 WeakPolarHBondContact O-CG 3.44Å; V299-M303 PolarHBondContact O-N 3.27Å
300	V	37.7	Very low	40.5	Very low	111 Å²	111	102.3 Å²	102.3	67%	0.673	50%	0.498	S	S	*	.	H	α-helix	trans	-68.4	-30.1	177.8	174.1	0	0	0	0	111.9	V296	V296-V300 VanDerWaalsContact O-CG2 3.29Å; V296-V300 WeakPolarHBondContact O-CG2 3.48Å; V296-V300 PolarHBondContact O-N 2.78Å
301	E	41.9	Very low	41	Very low	166 Å²	166	100.5 Å²	100.5	78%	0.776	50%	0.495	S	S	*	.	H	α-helix	trans	-73.7	-24.7	178.2	-74.4	-177.7	172	0	0	113.7	K298 V299	K298-E301 PolarHBondContact O-N 3.43Å; V299-E301 VanDerWaalsContact C-N 3.29Å; V299-E301 PolarHBondContact O-N 2.87Å
302	E	38.3	Very low	41.3	Very low	142 Å²	142	101.1 Å²	101.1	66%	0.664	49%	0.493	S	S	*	.	H	α-helix	trans	-107.4	-14.1	-169.9	-67.5	-167.3	175.5	0	0	116.4	V299	V299-E302 PolarHBondContact O-N 3.19Å
303	M	34	Very low	42.3	Very low	69 Å²	69	99.3 Å²	99.3	34%	0.34	49%	0.493	S	S	.	.			trans	-79.9	138.2	-176.3	-67.4	-164.8	-44.1	0	0	114.4	V299 E307 V308	V299-M303 HydrophobicContact CG1-CE 4.41Å; V299-M303 HydrophobicContact CG1-CG 4.25Å; V299-M303 HydrophobicContact CG1-SD 3.99Å; V299-M303 WeakPolarHBondContact O-CG 3.44Å; V299-M303 PolarHBondContact O-N 3.27Å; M303-E307 WeakPolarHBondContact CA-OE2 3.42Å; M303-E307 HydrophobicContact CB-CB 4.41Å; M303-V308 HydrophobicContact CB-CG2 4.07Å; M303-V308 HydrophobicContact CE-CG2 3.66Å
304	T	48.9	Very low	43.1	Very low	63 Å²	63	99.2 Å²	99.2	39%	0.387	49%	0.489	S	S	.	.			trans	-74.2	164.9	172.6	82.2	0	0	0	0	111.6	E306 E307 V308	T304-E306 VanDerWaalsContact C-N 3.31Å; T304-E306 PolarHBondContact O-N 3.42Å; T304-E306 PolarHBondContact OG1-OE2 2.97Å; T304-E307 PolarHBondContact N-OE2 2.75Å; T304-E307 PolarHBondContact O-N 3.03Å; T304-V308 WeakPolarHBondContact O-CG2 3.3Å; T304-V308 PolarHBondContact O-N 3.22Å
305	Y	41	Very low	43.5	Very low	115 Å²	115	98.5 Å²	98.5	45%	0.451	49%	0.486	S	S	.	.	H	α-helix	trans	-60.7	-41.6	179.5	174.2	-89.7	0	0	0	111.3	E307 V308 E309	Y305-E307 VanDerWaalsContact C-N 3.28Å; Y305-E307 PolarHBondContact O-N 3.12Å; Y305-V308 PolarHBondContact O-N 3.17Å; Y305-E309 HydrophobicContact CE1-CB 4.25Å; Y305-E309 VanDerWaalsContact CE1-OE2 3.25Å; Y305-E309 WeakPolarHBondContact CE1-OE2 3.45Å; Y305-E309 WeakPolarHBondContact O-CB 3.12Å; Y305-E309 PolarHBondContact O-N 3.4Å; Y305-E309 PolarHBondContact OH-OE1 2.99Å
306	E	50.6	Low	43.9	Very low	131 Å²	131	100.3 Å²	100.3	61%	0.612	49%	0.49	S	S	*	.	H	α-helix	trans	-65.5	-33	-179.4	-57.5	98.7	172.2	0	0	112.2	T304 K310	T304-E306 VanDerWaalsContact C-N 3.31Å; T304-E306 PolarHBondContact O-N 3.42Å; T304-E306 PolarHBondContact OG1-OE2 2.97Å; E306-K310 WeakPolarHBondContact O-CB 3.42Å; E306-K310 PolarHBondContact O-N 3.17Å
307	E	51.3	Low	44.5	Very low	102 Å²	102	99.9 Å²	99.9	48%	0.477	50%	0.499	S	S	.	.	H	α-helix	trans	-69.1	-43.8	177.8	-67.3	175.9	144.6	0	0	111.6	M303 T304 Y305 F311	M303-E307 WeakPolarHBondContact CA-OE2 3.42Å; M303-E307 HydrophobicContact CB-CB 4.41Å; T304-E307 PolarHBondContact N-OE2 2.75Å; T304-E307 PolarHBondContact O-N 3.03Å; Y305-E307 VanDerWaalsContact C-N 3.28Å; Y305-E307 PolarHBondContact O-N 3.12Å; E307-F311 VanDerWaalsContact O-CB 3.27Å; E307-F311 WeakPolarHBondContact O-CB 3.41Å; E307-F311 PolarHBondContact O-N 3.38Å
308	V	45.5	Very low	44.5	Very low	28 Å²	28	102 Å²	102	17%	0.17	50%	0.501	C	S	.	.	H	α-helix	trans	-62.2	-47.7	174.1	174.3	0	0	0	0	110.8	M303 T304 Y305 F311 W312 Y345	M303-V308 HydrophobicContact CB-CG2 4.07Å; M303-V308 HydrophobicContact CE-CG2 3.66Å; T304-V308 WeakPolarHBondContact O-CG2 3.3Å; T304-V308 PolarHBondContact O-N 3.22Å; Y305-V308 PolarHBondContact O-N 3.17Å; V308-F311 PolarHBondContact O-N 3.36Å; V308-W312 WeakPolarHBondContact O-CB 3.22Å; V308-W312 PolarHBondContact O-N 3.5Å; V308-Y345 WeakPolarHBondContact CG1-OH 3.01Å
309	E	48.1	Very low	44.6	Very low	84 Å²	84	99.4 Å²	99.4	39%	0.393	49%	0.493	S	S	.	.	H	α-helix	trans	-65.4	-42.9	-178.4	-174.6	174.3	-137.4	0	0	111.3	Y305 W312 L313	Y305-E309 HydrophobicContact CE1-CB 4.25Å; Y305-E309 VanDerWaalsContact CE1-OE2 3.25Å; Y305-E309 WeakPolarHBondContact CE1-OE2 3.45Å; Y305-E309 WeakPolarHBondContact O-CB 3.12Å; Y305-E309 PolarHBondContact O-N 3.4Å; Y305-E309 PolarHBondContact OH-OE1 2.99Å; E309-W312 PolarHBondContact O-N 3.34Å; E309-L313 HydrophobicContact CG-CD1 4.07Å; E309-L313 HydrophobicContact CG-CG 4.45Å; E309-L313 WeakPolarHBondContact O-CB 3.3Å; E309-L313 WeakPolarHBondContact O-CG 3.42Å; E309-L313 PolarHBondContact O-N 2.95Å
310	K	55.2	Low	44.7	Very low	131 Å²	131	100.3 Å²	100.3	57%	0.57	50%	0.501	S	S	*	.	H	α-helix	trans	-61.8	-46.5	174.6	-175.6	-177.6	175.9	-172.1	0	111.6	E306 W312 L313 E314	E306-K310 WeakPolarHBondContact O-CB 3.42Å; E306-K310 PolarHBondContact O-N 3.17Å; K310-W312 VanDerWaalsContact C-N 3.28Å; K310-W312 PolarHBondContact O-N 3.24Å; K310-L313 PolarHBondContact O-N 3.07Å; K310-E314 VanDerWaalsContact CE-OE1 3.25Å; K310-E314 WeakPolarHBondContact CE-OE1 3.43Å; K310-E314 WeakPolarHBondContact O-CG 3.46Å; K310-E314 PolarHBondContact O-N 3.16Å
311	F	48.5	Very low	44.9	Very low	129 Å²	129	103 Å²	103	57%	0.566	51%	0.506	S	S	*	.	H	α-helix	trans	-57.3	-43.1	175.3	178.7	-98.2	0	0	0	111.1	E307 V308 N315	E307-F311 VanDerWaalsContact O-CB 3.27Å; E307-F311 WeakPolarHBondContact O-CB 3.41Å; E307-F311 PolarHBondContact O-N 3.38Å; V308-F311 PolarHBondContact O-N 3.36Å; F311-N315 PolarHBondContact O-N 3.23Å; F311-N315 PolarHBondContact O-ND2 3.19Å
312	W	43.5	Very low	44.8	Very low	93 Å²	93	101.5 Å²	101.5	35%	0.352	50%	0.502	S	S	.	.	H	α-helix	trans	-68.8	-43.5	178.1	-172.1	82.5	0	0	0	113	V308 E309 K310 E314 N315 K316	V308-W312 WeakPolarHBondContact O-CB 3.22Å; V308-W312 PolarHBondContact O-N 3.5Å; E309-W312 PolarHBondContact O-N 3.34Å; K310-W312 VanDerWaalsContact C-N 3.28Å; K310-W312 PolarHBondContact O-N 3.24Å; W312-E314 VanDerWaalsContact C-N 3.3Å; W312-E314 PolarHBondContact O-N 3.41Å; W312-N315 PolarHBondContact O-N 3.17Å; W312-K316 HydrophobicContact CD2-CB 4.41Å; W312-K316 HydrophobicContact CE3-CB 4.36Å; W312-K316 HydrophobicContact CE3-CD 4.23Å; W312-K316 HydrophobicContact CH2-CD 3.39Å; W312-K316 HydrophobicContact CH2-CG 4.04Å; W312-K316 HydrophobicContact CZ2-CB 4.48Å; W312-K316 HydrophobicContact CZ2-CD 3.98Å; W312-K316 HydrophobicContact CZ2-CG 4.11Å; W312-K316 HydrophobicContact CZ3-CB 4.45Å; W312-K316 HydrophobicContact CZ3-CD 3.51Å; W312-K316 HydrophobicContact CZ3-CG 4.32Å; W312-K316 VanDerWaalsContact O-CB 3.32Å; W312-K316 WeakPolarHBondContact O-CB 3.44Å; W312-K316 PolarHBondContact O-N 3.24Å
313	L	53.2	Low	44.6	Very low	101 Å²	101	98.6 Å²	98.6	53%	0.529	49%	0.491	S	S	.	.	H	α-helix	trans	-61.3	-38.8	177.6	-75	169.9	0	0	0	112	E309 K310 G317	E309-L313 HydrophobicContact CG-CD1 4.07Å; E309-L313 HydrophobicContact CG-CG 4.45Å; E309-L313 WeakPolarHBondContact O-CB 3.3Å; E309-L313 WeakPolarHBondContact O-CG 3.42Å; E309-L313 PolarHBondContact O-N 2.95Å; K310-L313 PolarHBondContact O-N 3.07Å; L313-G317 PolarHBondContact O-N 3.15Å
314	E	55.3	Low	44.8	Very low	114 Å²	114	98.9 Å²	98.9	53%	0.533	50%	0.504	S	S	.	.	H	α-helix	trans	-62.4	-41.7	174.5	-76.4	177.6	-174.7	0	0	111.8	K310 W312	K310-E314 VanDerWaalsContact CE-OE1 3.25Å; K310-E314 WeakPolarHBondContact CE-OE1 3.43Å; K310-E314 WeakPolarHBondContact O-CG 3.46Å; K310-E314 PolarHBondContact O-N 3.16Å; W312-E314 VanDerWaalsContact C-N 3.3Å; W312-E314 PolarHBondContact O-N 3.41Å
315	N	45.6	Very low	44.4	Very low	76 Å²	76	102.8 Å²	102.8	41%	0.406	52%	0.523	S	S	.	.	H	α-helix	trans	-78.6	-36.1	-179.9	-74.8	-76.2	0	0	0	113	F311 W312 G317 M318 L319	F311-N315 PolarHBondContact O-N 3.23Å; F311-N315 PolarHBondContact O-ND2 3.19Å; W312-N315 PolarHBondContact O-N 3.17Å; N315-G317 VanDerWaalsContact C-N 3.28Å; N315-G317 PolarHBondContact O-N 3.48Å; N315-M318 PolarHBondContact O-N 3.23Å; N315-L319 PolarHBondContact O-N 2.88Å
316	K	44.5	Very low	44.2	Very low	112 Å²	112	105.1 Å²	105.1	49%	0.487	54%	0.543	S	S	.	.	H	α-helix	trans	-60.9	-37.2	178.3	-166.3	-159.8	-164.9	172.4	0	111.8	W312 M318 L319 P320	W312-K316 HydrophobicContact CD2-CB 4.41Å; W312-K316 HydrophobicContact CE3-CB 4.36Å; W312-K316 HydrophobicContact CE3-CD 4.23Å; W312-K316 HydrophobicContact CH2-CD 3.39Å; W312-K316 HydrophobicContact CH2-CG 4.04Å; W312-K316 HydrophobicContact CZ2-CB 4.48Å; W312-K316 HydrophobicContact CZ2-CD 3.98Å; W312-K316 HydrophobicContact CZ2-CG 4.11Å; W312-K316 HydrophobicContact CZ3-CB 4.45Å; W312-K316 HydrophobicContact CZ3-CD 3.51Å; W312-K316 HydrophobicContact CZ3-CG 4.32Å; W312-K316 VanDerWaalsContact O-CB 3.32Å; W312-K316 WeakPolarHBondContact O-CB 3.44Å; W312-K316 PolarHBondContact O-N 3.24Å; K316-M318 PolarHBondContact O-N 3.41Å; K316-L319 PolarHBondContact O-N 2.9Å; K316-P320 WeakPolarHBondContact O-CD 3.32Å
317	G	46.1	Very low	44.2	Very low	54 Å²	54	105.3 Å²	105.3	56%	0.557	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.9	176.6	0	0	0	0	0	113.8	L313 N315	L313-G317 PolarHBondContact O-N 3.15Å; N315-G317 VanDerWaalsContact C-N 3.28Å; N315-G317 PolarHBondContact O-N 3.48Å
318	M	38.6	Very low	43.5	Very low	122 Å²	122	110.2 Å²	110.2	60%	0.601	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-18.5	-179.9	-59.3	-140.3	178.8	0	0	113.7	N315 K316 Q321 L322	N315-M318 PolarHBondContact O-N 3.23Å; K316-M318 PolarHBondContact O-N 3.41Å; M318-Q321 PolarHBondContact O-N 2.79Å; M318-Q321 VanDerWaalsContact O-N 3.16Å; M318-L322 PolarHBondContact O-N 2.7Å
319	L	35.5	Very low	43.3	Very low	73 Å²	73	112.8 Å²	112.8	38%	0.382	58%	0.583	S	S	.	*	H	α-helix	trans	-57.4	-45.4	-176.9	-113.9	85.5	0	0	0	113.6	N315 K316 Q321 L322 L323	N315-L319 PolarHBondContact O-N 2.88Å; K316-L319 PolarHBondContact O-N 2.9Å; L319-Q321 PolarHBondContact O-N 3.46Å; L319-L322 PolarHBondContact O-N 2.93Å; L319-L322 VanDerWaalsContact O-N 3.16Å; L319-L323 HydrophobicContact CB-CD1 4.35Å; L319-L323 HydrophobicContact CD2-CD1 4.15Å; L319-L323 HydrophobicContact CG-CD1 4.33Å; L319-L323 WeakPolarHBondContact O-CB 3.29Å; L319-L323 WeakPolarHBondContact O-CD1 3.27Å; L319-L323 WeakPolarHBondContact O-CG 3.41Å; L319-L323 PolarHBondContact O-N 3.39Å; L319-L323 VanDerWaalsContact O-N 3.08Å
320	P	35.6	Very low	43.3	Very low	91 Å²	91	112 Å²	112	59%	0.591	59%	0.586	S	S	*	*	H	α-helix	trans	-62.8	-29.1	179.6	-23.5	34	0	0	0	113.7	K316	K316-P320 WeakPolarHBondContact O-CD 3.32Å
321	Q	42.2	Very low	42.6	Very low	168 Å²	168	109.7 Å²	109.7	79%	0.785	58%	0.578	S	S	*	*	H	α-helix	trans	-76.1	-30.6	177.9	-65.8	-174.4	12.1	0	0	112.2	M318 L319	M318-Q321 PolarHBondContact O-N 2.79Å; M318-Q321 VanDerWaalsContact O-N 3.16Å; L319-Q321 PolarHBondContact O-N 3.46Å
322	L	39.1	Very low	42.3	Very low	134 Å²	134	109.1 Å²	109.1	70%	0.702	58%	0.577	S	S	*	*	H	α-helix	trans	-75.9	-26.4	174.6	-77.7	159.1	0	0	0	112.5	M318 L319	M318-L322 PolarHBondContact O-N 2.7Å; L319-L322 PolarHBondContact O-N 2.93Å; L319-L322 VanDerWaalsContact O-N 3.16Å
323	L	35.2	Very low	42.4	Very low	81 Å²	81	109.8 Å²	109.8	42%	0.424	59%	0.587	S	S	.	*	S	Bend	trans	-95.6	1.2	-171.3	-68.3	169.7	0	0	0	115.1	L319 N325 L334	L319-L323 HydrophobicContact CB-CD1 4.35Å; L319-L323 HydrophobicContact CD2-CD1 4.15Å; L319-L323 HydrophobicContact CG-CD1 4.33Å; L319-L323 WeakPolarHBondContact O-CB 3.29Å; L319-L323 WeakPolarHBondContact O-CD1 3.27Å; L319-L323 WeakPolarHBondContact O-CG 3.41Å; L319-L323 PolarHBondContact O-N 3.39Å; L319-L323 VanDerWaalsContact O-N 3.08Å; L323-N325 PolarHBondContact O-N 2.98Å; L323-N325 VanDerWaalsContact O-N 3.14Å; L323-L334 HydrophobicContact CD2-CD2 4.5Å
324	A	37.4	Very low	41.9	Very low	75 Å²	75	109.2 Å²	109.2	62%	0.62	58%	0.583	S	S	*	*			trans	-75.1	9.2	-179.9	0	0	0	0	0	114.8
325	N	40.7	Very low	41.3	Very low	145 Å²	145	109.1 Å²	109.1	78%	0.775	58%	0.583	S	S	*	*	S	Bend	trans	-95.3	117.6	174.3	-76	-20.7	0	0	0	110.2	L323 E327	L323-N325 PolarHBondContact O-N 2.98Å; L323-N325 VanDerWaalsContact O-N 3.14Å; N325-E327 PolarHBondContact O-N 3.49Å
326	D	36.5	Very low	41.2	Very low	164 Å²	164	111.5 Å²	111.5	88%	0.877	59%	0.592	S	S	*	*			trans	-60	91	-172.6	-75.8	-41.2	0	0	0	113.9
327	E	50.6	Low	41.3	Very low	135 Å²	135	111.7 Å²	111.7	63%	0.631	60%	0.595	S	S	*	*			trans	-141.7	93.3	156	-74.5	-168.2	165.5	0	0	110.6	N325 A329 S330 Q331	N325-E327 PolarHBondContact O-N 3.49Å; E327-A329 VanDerWaalsContact C-N 3.26Å; E327-A329 PolarHBondContact O-N 2.94Å; E327-S330 PolarHBondContact O-N 2.76Å; E327-Q331 PolarHBondContact O-N 2.92Å
328	W	36.4	Very low	41	Very low	204 Å²	204	112.9 Å²	112.9	77%	0.773	59%	0.588	S	S	*	*	H	α-helix	trans	-63.8	-24.8	-173.6	-160.9	70.6	0	0	0	114
329	A	41.9	Very low	41.2	Very low	83 Å²	83	112.8 Å²	112.8	69%	0.686	58%	0.584	S	S	*	*	H	α-helix	trans	-75.3	-36.6	177.9	0	0	0	0	0	112.4	E327 Q331	E327-A329 VanDerWaalsContact C-N 3.26Å; E327-A329 PolarHBondContact O-N 2.94Å; A329-Q331 VanDerWaalsContact C-N 3.28Å; A329-Q331 PolarHBondContact O-N 3.46Å
330	S	47.7	Very low	41.5	Very low	67 Å²	67	112.8 Å²	112.8	47%	0.469	59%	0.587	S	S	.	*	H	α-helix	trans	-69.7	-28.3	175.7	-56.1	0	0	0	0	111.4	E327 L334	E327-S330 PolarHBondContact O-N 2.76Å; S330-L334 WeakPolarHBondContact O-CB 3.25Å; S330-L334 PolarHBondContact O-N 3.34Å
331	Q	40.4	Very low	41.8	Very low	82 Å²	82	114.5 Å²	114.5	38%	0.383	59%	0.587	S	S	.	*	H	α-helix	trans	-63.6	-43.7	178.2	-76	179.7	-17.7	0	0	113.6	E327 A329 E335	E327-Q331 PolarHBondContact O-N 2.92Å; A329-Q331 VanDerWaalsContact C-N 3.28Å; A329-Q331 PolarHBondContact O-N 3.46Å; Q331-E335 VanDerWaalsContact O-CB 3.32Å; Q331-E335 WeakPolarHBondContact O-CB 3.41Å; Q331-E335 PolarHBondContact O-N 3.49Å
332	Q	43.3	Very low	41.5	Very low	118 Å²	118	110 Å²	110	55%	0.551	57%	0.566	S	S	*	*	H	α-helix	trans	-67.7	-46.4	-178.6	-78.1	-87.2	-28.4	0	0	111.7	E335 Q336	Q332-E335 PolarHBondContact O-N 3.25Å; Q332-Q336 WeakPolarHBondContact O-CB 3.29Å; Q332-Q336 PolarHBondContact O-N 2.97Å
333	L	44.9	Very low	41.5	Very low	107 Å²	107	112 Å²	112	56%	0.56	56%	0.564	S	S	*	*	H	α-helix	trans	-66.9	-40.9	-179.1	-169.6	68.7	0	0	0	111.3	Q336 Q337	L333-Q336 PolarHBondContact O-N 2.97Å; L333-Q337 WeakPolarHBondContact O-CB 3.31Å; L333-Q337 WeakPolarHBondContact O-CG 3.49Å; L333-Q337 PolarHBondContact O-N 2.86Å
334	L	41.8	Very low	41.8	Very low	88 Å²	88	115.9 Å²	115.9	46%	0.461	57%	0.573	S	S	.	*	H	α-helix	trans	-70.9	-40.4	178.3	-153.6	92.5	0	0	0	111.8	L323 S330 Q336 Q337 L338	L323-L334 HydrophobicContact CD2-CD2 4.5Å; S330-L334 WeakPolarHBondContact O-CB 3.25Å; S330-L334 PolarHBondContact O-N 3.34Å; L334-Q336 VanDerWaalsContact C-N 3.29Å; L334-Q336 PolarHBondContact O-N 3.24Å; L334-Q337 PolarHBondContact O-N 2.82Å; L334-L338 HydrophobicContact CD2-CD1 4.03Å; L334-L338 HydrophobicContact CG-CD1 4.02Å; L334-L338 VanDerWaalsContact O-CB 3.32Å; L334-L338 WeakPolarHBondContact O-CB 3.32Å; L334-L338 PolarHBondContact O-N 3.31Å
335	E	42.5	Very low	41.9	Very low	112 Å²	112	118 Å²	118	52%	0.523	57%	0.566	S	S	.	*	H	α-helix	trans	-60.3	-40.5	172.5	-93.1	-158.9	169.2	0	0	111.7	Q331 Q332 K339	Q331-E335 VanDerWaalsContact O-CB 3.32Å; Q331-E335 WeakPolarHBondContact O-CB 3.41Å; Q331-E335 PolarHBondContact O-N 3.49Å; Q332-E335 PolarHBondContact O-N 3.25Å; E335-K339 WeakPolarHBondContact O-CB 3.44Å; E335-K339 VanDerWaalsContact O-CG 3.28Å; E335-K339 WeakPolarHBondContact O-CG 3.5Å; E335-K339 PolarHBondContact O-N 2.99Å; E335-K339 IonicContact OE2-NZ 2.73Å; E335-K339 PolarHBondContact OE2-NZ 3.45Å
336	Q	45.4	Very low	41.8	Very low	127 Å²	127	116.2 Å²	116.2	59%	0.593	55%	0.549	S	S	*	.	H	α-helix	trans	-67.4	-47.4	180	-158.7	171.8	10.4	0	0	110.4	Q332 L333 L334 L338 K339 T340	Q332-Q336 WeakPolarHBondContact O-CB 3.29Å; Q332-Q336 PolarHBondContact O-N 2.97Å; L333-Q336 PolarHBondContact O-N 2.97Å; L334-Q336 VanDerWaalsContact C-N 3.29Å; L334-Q336 PolarHBondContact O-N 3.24Å; Q336-L338 PolarHBondContact O-N 2.75Å; Q336-K339 PolarHBondContact O-N 3.43Å; Q336-T340 PolarHBondContact O-N 3.24Å; Q336-T340 PolarHBondContact O-OG1 3.22Å
337	Q	44.8	Very low	42	Very low	116 Å²	116	112.8 Å²	112.8	54%	0.542	53%	0.528	S	S	.	.	H	α-helix	trans	-62.8	-39.1	175.2	-73.9	-166.4	-18.9	0	0	112.9	L333 L334 T340 H341	L333-Q337 WeakPolarHBondContact O-CB 3.31Å; L333-Q337 WeakPolarHBondContact O-CG 3.49Å; L333-Q337 PolarHBondContact O-N 2.86Å; L334-Q337 PolarHBondContact O-N 2.82Å; Q337-T340 PolarHBondContact O-N 3.47Å; Q337-H341 WeakPolarHBondContact O-CB 3.44Å; Q337-H341 PolarHBondContact O-N 3.44Å
338	L	40.6	Very low	41.4	Very low	78 Å²	78	110.9 Å²	110.9	41%	0.408	53%	0.526	S	S	.	.	H	α-helix	trans	-66.5	-37.9	175.5	-110.4	110.7	0	0	0	112.1	L334 Q336 T340 H341 Q342	L334-L338 HydrophobicContact CD2-CD1 4.03Å; L334-L338 HydrophobicContact CG-CD1 4.02Å; L334-L338 VanDerWaalsContact O-CB 3.32Å; L334-L338 WeakPolarHBondContact O-CB 3.32Å; L334-L338 PolarHBondContact O-N 3.31Å; Q336-L338 PolarHBondContact O-N 2.75Å; L338-T340 VanDerWaalsContact C-N 3.34Å; L338-H341 PolarHBondContact O-N 2.67Å; L338-Q342 VanDerWaalsContact O-CB 3.27Å; L338-Q342 WeakPolarHBondContact O-CB 3.35Å; L338-Q342 WeakPolarHBondContact O-CG 3.33Å; L338-Q342 PolarHBondContact O-N 3.07Å
339	K	43.1	Very low	41.3	Very low	121 Å²	121	102.8 Å²	102.8	53%	0.526	50%	0.499	S	S	.	.	H	α-helix	trans	-63.6	-42.1	174.5	-78.1	170.5	-174.2	161.1	0	110.8	E335 Q336 Q342 W343	E335-K339 WeakPolarHBondContact O-CB 3.44Å; E335-K339 VanDerWaalsContact O-CG 3.28Å; E335-K339 WeakPolarHBondContact O-CG 3.5Å; E335-K339 PolarHBondContact O-N 2.99Å; E335-K339 IonicContact OE2-NZ 2.73Å; E335-K339 PolarHBondContact OE2-NZ 3.45Å; Q336-K339 PolarHBondContact O-N 3.43Å; K339-Q342 PolarHBondContact O-N 2.91Å; K339-W343 PolarHBondContact O-N 3.3Å
340	T	42.3	Very low	41	Very low	73 Å²	73	105.4 Å²	105.4	45%	0.448	49%	0.491	S	S	.	.	H	α-helix	trans	-64.9	-43.7	176.8	-41.1	0	0	0	0	111.6	Q336 Q337 L338 W343 R344	Q336-T340 PolarHBondContact O-N 3.24Å; Q336-T340 PolarHBondContact O-OG1 3.22Å; Q337-T340 PolarHBondContact O-N 3.47Å; L338-T340 VanDerWaalsContact C-N 3.34Å; T340-W343 PolarHBondContact O-N 2.98Å; T340-R344 PolarHBondContact O-N 3.32Å; T340-R344 VanDerWaalsContact O-N 3.08Å
341	H	40.4	Very low	40.4	Very low	127 Å²	127	109 Å²	109	59%	0.588	50%	0.5	S	S	*	.	H	α-helix	trans	-68.3	-38.3	175.4	-95.2	-79.1	0	0	0	112.9	Q337 L338 W343 R344 Y345	Q337-H341 WeakPolarHBondContact O-CB 3.44Å; Q337-H341 PolarHBondContact O-N 3.44Å; L338-H341 PolarHBondContact O-N 2.67Å; H341-W343 VanDerWaalsContact C-N 3.33Å; H341-W343 PolarHBondContact O-N 3.28Å; H341-R344 PolarHBondContact O-N 3.03Å; H341-Y345 VanDerWaalsContact O-CB 3.25Å; H341-Y345 WeakPolarHBondContact O-CB 3.32Å; H341-Y345 PolarHBondContact O-N 2.74Å
342	Q	35.8	Very low	40.2	Very low	72 Å²	72	109.3 Å²	109.3	34%	0.336	52%	0.516	S	S	.	.	H	α-helix	trans	-58.6	-45.8	172.1	-91.6	-172.5	-45.8	0	0	110.8	L338 K339 Y345 Y346	L338-Q342 VanDerWaalsContact O-CB 3.27Å; L338-Q342 WeakPolarHBondContact O-CB 3.35Å; L338-Q342 WeakPolarHBondContact O-CG 3.33Å; L338-Q342 PolarHBondContact O-N 3.07Å; K339-Q342 PolarHBondContact O-N 2.91Å; Q342-Y345 PolarHBondContact O-N 2.98Å; Q342-Y346 HydrophobicContact CB-CD2 4.37Å; Q342-Y346 HydrophobicContact CB-CE2 4.4Å; Q342-Y346 HydrophobicContact CG-CE2 4.45Å; Q342-Y346 WeakPolarHBondContact O-CB 3.32Å; Q342-Y346 WeakPolarHBondContact O-CD2 3.42Å; Q342-Y346 PolarHBondContact O-N 2.97Å
343	W	40	Very low	39.7	Very low	178 Å²	178	107.8 Å²	107.8	67%	0.674	51%	0.508	S	S	*	.	H	α-helix	trans	-63.8	-45.7	-178.8	-131.2	91.8	0	0	0	111.7	K339 T340 H341 Y345 Y346 Q347	K339-W343 PolarHBondContact O-N 3.3Å; T340-W343 PolarHBondContact O-N 2.98Å; H341-W343 VanDerWaalsContact C-N 3.33Å; H341-W343 PolarHBondContact O-N 3.28Å; W343-Y345 VanDerWaalsContact C-N 3.35Å; W343-Y345 PolarHBondContact O-N 3.23Å; W343-Y346 PolarHBondContact O-N 2.92Å; W343-Q347 HydrophobicContact CE3-CG 3.78Å; W343-Q347 HydrophobicContact CZ3-CG 3.64Å; W343-Q347 WeakPolarHBondContact O-CB 3.45Å; W343-Q347 PolarHBondContact O-N 3.48Å
344	R	41.9	Very low	39.3	Very low	161 Å²	161	105.5 Å²	105.5	61%	0.608	51%	0.51	S	S	*	.	H	α-helix	trans	-61.2	-41.7	174	-73.9	-176.3	-177.3	174.6	0.2	112.2	T340 H341 T348	T340-R344 PolarHBondContact O-N 3.32Å; T340-R344 VanDerWaalsContact O-N 3.08Å; H341-R344 PolarHBondContact O-N 3.03Å; R344-T348 WeakPolarHBondContact O-CB 3.2Å; R344-T348 PolarHBondContact O-N 3.43Å; R344-T348 PolarHBondContact O-OG1 3.48Å
345	Y	39.9	Very low	38.7	Very low	120 Å²	120	109.5 Å²	109.5	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-66.5	-45.6	178.8	-174.5	-99.1	0	0	0	112.1	V308 H341 Q342 W343 T348 V349	V308-Y345 WeakPolarHBondContact CG1-OH 3.01Å; H341-Y345 VanDerWaalsContact O-CB 3.25Å; H341-Y345 WeakPolarHBondContact O-CB 3.32Å; H341-Y345 PolarHBondContact O-N 2.74Å; Q342-Y345 PolarHBondContact O-N 2.98Å; W343-Y345 VanDerWaalsContact C-N 3.35Å; W343-Y345 PolarHBondContact O-N 3.23Å; Y345-T348 PolarHBondContact O-N 3.34Å; Y345-V349 HydrophobicContact CD1-CG2 4.17Å; Y345-V349 HydrophobicContact CD2-CG2 4.44Å; Y345-V349 HydrophobicContact CE1-CG2 3.79Å; Y345-V349 HydrophobicContact CE2-CG2 4.09Å; Y345-V349 HydrophobicContact CG-CG2 4.48Å; Y345-V349 WeakPolarHBondContact O-CB 2.68Å; Y345-V349 WeakPolarHBondContact O-CG2 3.1Å; Y345-V349 PolarHBondContact O-N 2.87Å
346	Y	37.6	Very low	38.1	Very low	107 Å²	107	107.5 Å²	107.5	42%	0.42	52%	0.517	S	S	.	.	H	α-helix	trans	-63.6	-42.7	176.3	-79.9	-64.1	0	0	0	111.9	Q342 W343 T348 V349 W350	Q342-Y346 HydrophobicContact CB-CD2 4.37Å; Q342-Y346 HydrophobicContact CB-CE2 4.4Å; Q342-Y346 HydrophobicContact CG-CE2 4.45Å; Q342-Y346 WeakPolarHBondContact O-CB 3.32Å; Q342-Y346 WeakPolarHBondContact O-CD2 3.42Å; Q342-Y346 PolarHBondContact O-N 2.97Å; W343-Y346 PolarHBondContact O-N 2.92Å; Y346-T348 PolarHBondContact O-N 2.97Å; Y346-V349 PolarHBondContact O-N 3.32Å; Y346-W350 WeakPolarHBondContact O-CB 3.48Å; Y346-W350 VanDerWaalsContact O-CG 3.31Å; Y346-W350 PolarHBondContact O-N 3.38Å
347	Q	40.2	Very low	37.5	Very low	92 Å²	92	106.1 Å²	106.1	43%	0.43	52%	0.517	S	S	.	.	H	α-helix	trans	-57.5	-48.6	173.1	-91.2	-176.1	-49.8	0	0	111.7	W343 V349 W350 H351	W343-Q347 HydrophobicContact CE3-CG 3.78Å; W343-Q347 HydrophobicContact CZ3-CG 3.64Å; W343-Q347 WeakPolarHBondContact O-CB 3.45Å; W343-Q347 PolarHBondContact O-N 3.48Å; Q347-V349 PolarHBondContact O-N 3.26Å; Q347-W350 PolarHBondContact O-N 2.9Å; Q347-H351 WeakPolarHBondContact O-CB 3.4Å; Q347-H351 PolarHBondContact O-CD2 3.35Å; Q347-H351 PolarHBondContact O-N 2.94Å
348	T	39.5	Very low	36.9	Very low	96 Å²	96	104.6 Å²	104.6	59%	0.589	52%	0.524	S	S	*	.	H	α-helix	trans	-63.9	-44.9	-176.8	-51	0	0	0	0	111.2	R344 Y345 Y346 A352	R344-T348 WeakPolarHBondContact O-CB 3.2Å; R344-T348 PolarHBondContact O-N 3.43Å; R344-T348 PolarHBondContact O-OG1 3.48Å; Y345-T348 PolarHBondContact O-N 3.34Å; Y346-T348 PolarHBondContact O-N 2.97Å; T348-A352 VanDerWaalsContact O-CB 3.28Å; T348-A352 WeakPolarHBondContact O-CB 3.3Å; T348-A352 PolarHBondContact O-N 2.84Å
349	V	33.9	Very low	36.4	Very low	34 Å²	34	104.8 Å²	104.8	21%	0.206	53%	0.532	C	S	.	.	H	α-helix	trans	-68.8	-37.8	178.7	174.3	0	0	0	0	111.8	Y345 Y346 Q347 K353	Y345-V349 HydrophobicContact CD1-CG2 4.17Å; Y345-V349 HydrophobicContact CD2-CG2 4.44Å; Y345-V349 HydrophobicContact CE1-CG2 3.79Å; Y345-V349 HydrophobicContact CE2-CG2 4.09Å; Y345-V349 HydrophobicContact CG-CG2 4.48Å; Y345-V349 WeakPolarHBondContact O-CB 2.68Å; Y345-V349 WeakPolarHBondContact O-CG2 3.1Å; Y345-V349 PolarHBondContact O-N 2.87Å; Y346-V349 PolarHBondContact O-N 3.32Å; Q347-V349 PolarHBondContact O-N 3.26Å; V349-K353 PolarHBondContact O-N 3.22Å
350	W	34.4	Very low	35.8	Very low	138 Å²	138	103.2 Å²	103.2	52%	0.523	53%	0.533	S	S	.	.	H	α-helix	trans	-71.3	-37.2	179	-80.4	38.8	0	0	0	112.3	Y346 Q347 G354 L356	Y346-W350 WeakPolarHBondContact O-CB 3.48Å; Y346-W350 VanDerWaalsContact O-CG 3.31Å; Y346-W350 PolarHBondContact O-N 3.38Å; Q347-W350 PolarHBondContact O-N 2.9Å; W350-G354 PolarHBondContact O-N 3.47Å; W350-L356 HydrophobicContact CE3-CD1 3.94Å; W350-L356 HydrophobicContact CE3-CG 4.27Å; W350-L356 HydrophobicContact CZ3-CD1 4.48Å
351	H	35.5	Very low	35.2	Very low	142 Å²	142	104.2 Å²	104.2	66%	0.657	53%	0.534	S	S	*	.	H	α-helix	trans	-69.6	-43.9	173.8	-89.7	-82.5	0	0	0	112.2	Q347 K353 G354	Q347-H351 WeakPolarHBondContact O-CB 3.4Å; Q347-H351 PolarHBondContact O-CD2 3.35Å; Q347-H351 PolarHBondContact O-N 2.94Å; H351-K353 PolarHBondContact O-N 2.9Å; H351-G354 PolarHBondContact O-N 3.16Å
352	A	37	Very low	34.5	Very low	88 Å²	88	108.2 Å²	108.2	73%	0.727	54%	0.544	S	S	*	.	H	α-helix	trans	-62	-30.5	179.6	0	0	0	0	0	112.9	T348	T348-A352 VanDerWaalsContact O-CB 3.28Å; T348-A352 WeakPolarHBondContact O-CB 3.3Å; T348-A352 PolarHBondContact O-N 2.84Å
353	K	32.8	Very low	34.1	Very low	87 Å²	87	111.9 Å²	111.9	38%	0.378	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.8	4.8	179.9	-65.9	-163.2	174.9	-173.3	0	115.2	V349 H351 F355	V349-K353 PolarHBondContact O-N 3.22Å; H351-K353 PolarHBondContact O-N 2.9Å; K353-F355 HydrophobicContact CB-CD2 3.96Å; K353-F355 HydrophobicContact CB-CE2 4.45Å; K353-F355 WeakPolarHBondContact O-CD2 3.21Å; K353-F355 PolarHBondContact O-N 2.83Å; K353-F355 VanDerWaalsContact O-N 3.09Å
354	G	35.2	Very low	33.4	Very low	58 Å²	58	110.3 Å²	110.3	60%	0.598	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	62.3	20.1	168.5	0	0	0	0	0	115.9	W350 H351 L356	W350-G354 PolarHBondContact O-N 3.47Å; H351-G354 PolarHBondContact O-N 3.16Å; G354-L356 VanDerWaalsContact C-N 3.26Å; G354-L356 PolarHBondContact O-N 3.48Å
355	F	31	Very low	32.7	Very low	172 Å²	172	108.5 Å²	108.5	75%	0.754	58%	0.576	S	S	*	*			trans	-79.4	1.1	-173.8	-94	-79.1	0	0	0	115	K353	K353-F355 HydrophobicContact CB-CD2 3.96Å; K353-F355 HydrophobicContact CB-CE2 4.45Å; K353-F355 WeakPolarHBondContact O-CD2 3.21Å; K353-F355 PolarHBondContact O-N 2.83Å; K353-F355 VanDerWaalsContact O-N 3.09Å
356	L	28	Very low	31.9	Very low	71 Å²	71	108.8 Å²	108.8	37%	0.372	59%	0.593	S	S	.	*			trans	-108.9	98.4	173.4	-73.8	170.2	0	0	0	110.3	W350 G354 I361	W350-L356 HydrophobicContact CE3-CD1 3.94Å; W350-L356 HydrophobicContact CE3-CG 4.27Å; W350-L356 HydrophobicContact CZ3-CD1 4.48Å; G354-L356 VanDerWaalsContact C-N 3.26Å; G354-L356 PolarHBondContact O-N 3.48Å; L356-I361 HydrophobicContact CB-CD1 4.4Å; L356-I361 HydrophobicContact CD1-CD1 4.34Å
357	T	33.1	Very low	31.4	Very low	97 Å²	97	106.7 Å²	106.7	60%	0.595	60%	0.604	S	S	*	*			trans	-71.1	138.1	160	48.3	0	0	0	0	108.9	S359 T360	T357-S359 PolarHBondContact O-N 2.83Å; T357-T360 PolarHBondContact O-N 3.5Å; T357-T360 VanDerWaalsContact O-N 3.14Å
358	A	32.8	Very low	31	Very low	84 Å²	84	108.6 Å²	108.6	69%	0.694	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	-10.8	-171.3	0	0	0	0	0	115.9
359	S	30	Very low	30.3	Very low	82 Å²	82	109.2 Å²	109.2	57%	0.573	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-34.4	176.2	60.3	0	0	0	0	113.2	T357 I361 R362	T357-S359 PolarHBondContact O-N 2.83Å; S359-I361 VanDerWaalsContact C-N 3.27Å; S359-I361 PolarHBondContact O-N 3.3Å; S359-R362 PolarHBondContact O-N 3.48Å
360	T	30	Very low	30.2	Very low	89 Å²	89	112.7 Å²	112.7	55%	0.546	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76	-19.1	-175	-39.2	0	0	0	0	112.3	T357	T357-T360 PolarHBondContact O-N 3.5Å; T357-T360 VanDerWaalsContact O-N 3.14Å
361	I	29.5	Very low	29.8	Very low	93 Å²	93	112 Å²	112	48%	0.477	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.2	-17.5	176.8	-63	174.7	0	0	0	111.3	L356 S359 D363 L364	L356-I361 HydrophobicContact CB-CD1 4.4Å; L356-I361 HydrophobicContact CD1-CD1 4.34Å; S359-I361 VanDerWaalsContact C-N 3.27Å; S359-I361 PolarHBondContact O-N 3.3Å; I361-D363 PolarHBondContact O-N 2.98Å; I361-D363 VanDerWaalsContact O-N 3.14Å; I361-L364 PolarHBondContact O-N 3.38Å; I361-L364 VanDerWaalsContact O-N 3.12Å
362	R	26.8	Very low	29.5	Very low	212 Å²	212	112.6 Å²	112.6	80%	0.8	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-21.7	-177.2	-163.3	177.5	-76.6	-170.6	-4	113.4	S359	S359-R362 PolarHBondContact O-N 3.48Å
363	D	27.9	Very low	29.2	Very low	149 Å²	149	114.6 Å²	114.6	80%	0.797	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-5.1	178.7	-69.8	-20.2	0	0	0	114.2	I361	I361-D363 PolarHBondContact O-N 2.98Å; I361-D363 VanDerWaalsContact O-N 3.14Å
364	L	24.8	Very low	29.2	Very low	145 Å²	145	115.6 Å²	115.6	76%	0.759	68%	0.683	S	S	*	*	S	Bend	trans	-131.3	43.2	-172.4	-75.4	172.2	0	0	0	114.5	I361	I361-L364 PolarHBondContact O-N 3.38Å; I361-L364 VanDerWaalsContact O-N 3.12Å
365	V	26.8	Very low	29.1	Very low	122 Å²	122	118.6 Å²	118.6	74%	0.739	69%	0.686	S	S	*	*			trans	134.6	125.5	154.2	171.8	0	0	0	0	110.5
366	P	23.2	Very low	29.3	Very low	126 Å²	126	114.4 Å²	114.4	82%	0.818	68%	0.683	S	S	*	*			trans	-81.2	131.2	-175.2	32.5	-33	0	0	0	111.6
367	G	27.3	Very low	29.7	Very low	63 Å²	63	118.3 Å²	118.3	65%	0.649	70%	0.699	S	S	*	*			trans	160.3	103.5	169.4	0	0	0	0	0	112.5
368	P	31	Very low	29.9	Very low	133 Å²	133	118.6 Å²	118.6	86%	0.864	70%	0.697	S	S	*	*			trans	-90.1	136.5	-174.5	32.3	-29.4	0	0	0	113.7
369	V	26.2	Very low	30	Very low	108 Å²	108	117.8 Å²	117.8	66%	0.655	69%	0.686	S	S	*	*			trans	-74.5	140.9	179	172.6	0	0	0	0	112.7
370	S	31	Very low	30.5	Very low	108 Å²	108	117.8 Å²	117.8	76%	0.755	68%	0.679	S	S	*	*			trans	173.7	115.6	136	-79.8	0	0	0	0	111
371	L	26.9	Very low	31.3	Very low	122 Å²	122	118.6 Å²	118.6	64%	0.639	68%	0.68	S	S	*	*				71	103.5	83.3	-102.4	163.8	0	0	0	115	V129	V129-L371 HydrophobicContact CG1-CD1 4.3Å; V129-L371 HydrophobicContact CG1-CD2 3.31Å; V129-L371 HydrophobicContact CG1-CG 3.78Å
372	L	29.4	Very low	31.8	Very low	156 Å²	156	119.3 Å²	119.3	82%	0.817	69%	0.685	S	S	*	*			trans	-128.6	146.2	169.7	-91	165.7	0	0	0	110.5
373	T	29.1	Very low	32.5	Very low	129 Å²	129	113.9 Å²	113.9	79%	0.791	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-80.8	123.7	-171.1	46.6	0	0	0	0	113
374	V	33.3	Very low	33.4	Very low	108 Å²	108	111.3 Å²	111.3	66%	0.655	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-100.5	138.2	166	179	0	0	0	0	108.7
375	N	34.2	Very low	34.7	Very low	121 Å²	121	107.9 Å²	107.9	65%	0.647	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-72.5	149.1	-170.8	-74.4	-33.8	0	0	0	112.3	E377	N375-E377 PolarHBondContact O-N 2.63Å
376	A	34.2	Very low	35.5	Very low	85 Å²	85	106.3 Å²	106.3	70%	0.702	63%	0.625	S	S	*	*	H	α-helix	trans	-68.1	-13	-172.5	0	0	0	0	0	115.5	L380	A376-L380 PolarHBondContact O-N 3.34Å
377	E	36	Very low	36.8	Very low	153 Å²	153	104.9 Å²	104.9	72%	0.715	61%	0.61	S	S	*	*	H	α-helix	trans	-70.5	-48.4	178.4	-87.5	169.2	155.5	0	0	111.5	N375 S379 L380 D381	N375-E377 PolarHBondContact O-N 2.63Å; E377-S379 PolarHBondContact O-N 3.19Å; E377-S379 VanDerWaalsContact O-N 3.16Å; E377-L380 WeakPolarHBondContact O-CB 3.47Å; E377-L380 PolarHBondContact O-N 3.36Å; E377-D381 PolarHBondContact O-N 2.93Å
378	D	36.8	Very low	38	Very low	102 Å²	102	106 Å²	106	55%	0.545	60%	0.599	S	S	.	*	H	α-helix	trans	-60.8	-32.4	-179.5	-54.7	-17.8	0	0	0	112.4	L382	D378-L382 PolarHBondContact O-N 2.89Å
379	S	35.8	Very low	39.1	Very low	67 Å²	67	103 Å²	103	47%	0.469	57%	0.572	S	S	.	*	H	α-helix	trans	-71.7	-29.6	176.9	-59.9	0	0	0	0	112.9	E377 L383	E377-S379 PolarHBondContact O-N 3.19Å; E377-S379 VanDerWaalsContact O-N 3.16Å; S379-L383 WeakPolarHBondContact O-CB 3.36Å; S379-L383 WeakPolarHBondContact O-CD1 3.36Å; S379-L383 PolarHBondContact O-N 3.39Å
380	L	40.8	Very low	40.2	Very low	82 Å²	82	102.9 Å²	102.9	43%	0.429	57%	0.568	S	S	.	*	H	α-helix	trans	-74.8	-40.9	-179.6	-172.1	69.9	0	0	0	111.1	A376 E377 L383 N384	A376-L380 PolarHBondContact O-N 3.34Å; E377-L380 WeakPolarHBondContact O-CB 3.47Å; E377-L380 PolarHBondContact O-N 3.36Å; L380-L383 PolarHBondContact O-N 3.38Å; L380-N384 PolarHBondContact O-N 3.49Å
381	D	45.8	Very low	41.3	Very low	106 Å²	106	101.6 Å²	101.6	57%	0.567	56%	0.559	S	S	*	*	H	α-helix	trans	-65.2	-41.2	177.3	-70.6	-22.3	0	0	0	111.1	E377 L383 N384 E385	E377-D381 PolarHBondContact O-N 2.93Å; D381-L383 VanDerWaalsContact C-N 3.32Å; D381-L383 PolarHBondContact O-N 3.46Å; D381-N384 PolarHBondContact O-N 3.41Å; D381-E385 WeakPolarHBondContact O-CB 3.46Å; D381-E385 PolarHBondContact O-N 2.9Å
382	L	40.7	Very low	42.5	Very low	108 Å²	108	102.8 Å²	102.8	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-62.4	-38.1	174.9	-141.9	100.3	0	0	0	112.6	D378 E385 L386	D378-L382 PolarHBondContact O-N 2.89Å; L382-E385 PolarHBondContact O-N 2.91Å; L382-L386 HydrophobicContact CD2-CD1 4.45Å; L382-L386 WeakPolarHBondContact O-CB 3.3Å; L382-L386 PolarHBondContact O-N 2.84Å
383	L	41.2	Very low	43.3	Very low	99 Å²	99	101.9 Å²	101.9	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-68.9	-43.7	177.7	-96.5	155.5	0	0	0	111.9	S379 L380 D381 E385 L386 D387	S379-L383 WeakPolarHBondContact O-CB 3.36Å; S379-L383 WeakPolarHBondContact O-CD1 3.36Å; S379-L383 PolarHBondContact O-N 3.39Å; L380-L383 PolarHBondContact O-N 3.38Å; D381-L383 VanDerWaalsContact C-N 3.32Å; D381-L383 PolarHBondContact O-N 3.46Å; L383-E385 VanDerWaalsContact C-N 3.3Å; L383-E385 PolarHBondContact O-N 3.3Å; L383-L386 PolarHBondContact O-N 2.98Å; L383-D387 PolarHBondContact O-N 2.91Å
384	N	47.8	Very low	44.6	Very low	94 Å²	94	99.6 Å²	99.6	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-61.8	-40.7	174.2	-79.2	-26.3	0	0	0	111.3	L380 D381 M388	L380-N384 PolarHBondContact O-N 3.49Å; D381-N384 PolarHBondContact O-N 3.41Å; N384-M388 VanDerWaalsContact O-CB 3.3Å; N384-M388 WeakPolarHBondContact O-CB 3.44Å; N384-M388 PolarHBondContact O-N 3.18Å
385	E	51.1	Low	45.7	Very low	74 Å²	74	100.9 Å²	100.9	35%	0.346	53%	0.525	S	S	.	.	H	α-helix	trans	-61.8	-44.4	175.1	-168.8	-172.9	161.8	0	0	111.5	D381 L382 L383 M388 K389	D381-E385 WeakPolarHBondContact O-CB 3.46Å; D381-E385 PolarHBondContact O-N 2.9Å; L382-E385 PolarHBondContact O-N 2.91Å; L383-E385 VanDerWaalsContact C-N 3.3Å; L383-E385 PolarHBondContact O-N 3.3Å; E385-M388 PolarHBondContact O-N 2.71Å; E385-K389 HydrophobicContact CG-CD 4.34Å; E385-K389 WeakPolarHBondContact O-CB 3.44Å; E385-K389 VanDerWaalsContact O-CG 3.3Å; E385-K389 WeakPolarHBondContact O-CG 3.32Å; E385-K389 PolarHBondContact O-N 2.78Å; E385-K389 WeakPolarHBondContact OE1-CE 3.47Å; E385-K389 IonicContact OE1-NZ 2.71Å; E385-K389 PolarHBondContact OE1-NZ 2.7Å
386	L	43.1	Very low	46.4	Very low	89 Å²	89	97.7 Å²	97.7	47%	0.466	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-46.9	176.8	-90.3	157.3	0	0	0	112.9	L382 L383 M388 K389 L390	L382-L386 HydrophobicContact CD2-CD1 4.45Å; L382-L386 WeakPolarHBondContact O-CB 3.3Å; L382-L386 PolarHBondContact O-N 2.84Å; L383-L386 PolarHBondContact O-N 2.98Å; L386-M388 VanDerWaalsContact C-N 3.28Å; L386-M388 PolarHBondContact O-N 3.41Å; L386-K389 PolarHBondContact O-N 3.29Å; L386-L390 WeakPolarHBondContact O-CG 3.46Å; L386-L390 PolarHBondContact O-N 3.42Å
387	D	51.6	Low	47.5	Very low	96 Å²	96	98.1 Å²	98.1	51%	0.513	49%	0.492	S	S	.	.	H	α-helix	trans	-62.6	-38.4	178.4	-87.9	-4.8	0	0	0	111.4	L383 S391	L383-D387 PolarHBondContact O-N 2.91Å; D387-S391 PolarHBondContact O-N 3.36Å; D387-S391 PolarHBondContact O-OG 2.85Å
388	M	51.1	Low	48.6	Very low	86 Å²	86	94 Å²	94	42%	0.424	48%	0.48	S	S	.	.	H	α-helix	trans	-67.9	-44.6	176.5	-155.7	179.6	66	0	0	110.9	N384 E385 L386 L390 S391 Y392 F643	N384-M388 VanDerWaalsContact O-CB 3.3Å; N384-M388 WeakPolarHBondContact O-CB 3.44Å; N384-M388 PolarHBondContact O-N 3.18Å; E385-M388 PolarHBondContact O-N 2.71Å; L386-M388 VanDerWaalsContact C-N 3.28Å; L386-M388 PolarHBondContact O-N 3.41Å; M388-L390 PolarHBondContact O-N 3.44Å; M388-S391 PolarHBondContact O-N 2.73Å; M388-Y392 HydrophobicContact CE-CE2 4.23Å; M388-Y392 HydrophobicContact CG-CD2 4.08Å; M388-Y392 HydrophobicContact CG-CE2 3.68Å; M388-Y392 WeakPolarHBondContact O-CD2 3.45Å; M388-Y392 PolarHBondContact O-N 3.34Å; M388-Y392 HydrophobicContact SD-CE2 4.21Å; M388-F643 HydrophobicContact CE-CE2 4.02Å
389	K	55.6	Low	49.4	Very low	69 Å²	69	90.1 Å²	90.1	30%	0.3	46%	0.46	S	S	.	.	H	α-helix	trans	-60	-42	174.8	-76.8	179.1	-179.2	179.1	0	112.5	E385 L386 Y392 W393 S646	E385-K389 HydrophobicContact CG-CD 4.34Å; E385-K389 WeakPolarHBondContact O-CB 3.44Å; E385-K389 VanDerWaalsContact O-CG 3.3Å; E385-K389 WeakPolarHBondContact O-CG 3.32Å; E385-K389 PolarHBondContact O-N 2.78Å; E385-K389 WeakPolarHBondContact OE1-CE 3.47Å; E385-K389 IonicContact OE1-NZ 2.71Å; E385-K389 PolarHBondContact OE1-NZ 2.7Å; L386-K389 PolarHBondContact O-N 3.29Å; K389-Y392 PolarHBondContact O-N 3.02Å; K389-W393 WeakPolarHBondContact O-CB 3.47Å; K389-W393 PolarHBondContact O-N 2.89Å; K389-S646 PolarHBondContact NZ-OG 3.47Å
390	L	49	Very low	50.2	Low	106 Å²	106	91.4 Å²	91.4	56%	0.555	46%	0.459	S	S	*	.	H	α-helix	trans	-64.6	-40.9	176.8	-78.6	168.8	0	0	0	112.3	L386 M388 W393 S394	L386-L390 WeakPolarHBondContact O-CG 3.46Å; L386-L390 PolarHBondContact O-N 3.42Å; M388-L390 PolarHBondContact O-N 3.44Å; L390-W393 PolarHBondContact O-N 3.24Å; L390-S394 PolarHBondContact O-N 2.91Å
391	S	53.2	Low	51.2	Low	82 Å²	82	95.6 Å²	95.6	57%	0.573	48%	0.476	S	S	*	.	H	α-helix	trans	-64	-43.4	177.1	-58.6	0	0	0	0	111.3	D387 M388 S394 Y395	D387-S391 PolarHBondContact O-N 3.36Å; D387-S391 PolarHBondContact O-OG 2.85Å; M388-S391 PolarHBondContact O-N 2.73Å; S391-S394 PolarHBondContact O-N 3.44Å; S391-Y395 PolarHBondContact O-N 3.06Å; S391-Y395 VanDerWaalsContact O-N 3.1Å
392	Y	53.3	Low	52.1	Low	146 Å²	146	94.1 Å²	94.1	57%	0.573	48%	0.478	S	S	*	.	H	α-helix	trans	-63.8	-39.2	174.2	-78.8	-61.7	0	0	0	112.5	M388 K389 Y395 F396	M388-Y392 HydrophobicContact CE-CE2 4.23Å; M388-Y392 HydrophobicContact CG-CD2 4.08Å; M388-Y392 HydrophobicContact CG-CE2 3.68Å; M388-Y392 WeakPolarHBondContact O-CD2 3.45Å; M388-Y392 PolarHBondContact O-N 3.34Å; M388-Y392 HydrophobicContact SD-CE2 4.21Å; K389-Y392 PolarHBondContact O-N 3.02Å; Y392-Y395 PolarHBondContact O-N 3.46Å; Y392-F396 WeakPolarHBondContact O-CB 3.32Å; Y392-F396 PolarHBondContact O-N 3.07Å
393	W	44.7	Very low	53.3	Low	137 Å²	137	91.8 Å²	91.8	52%	0.519	47%	0.466	S	S	.	.	H	α-helix	trans	-66.5	-40.9	177.4	-168.2	81.4	0	0	0	112.7	K389 L390 Y395 F396 K397	K389-W393 WeakPolarHBondContact O-CB 3.47Å; K389-W393 PolarHBondContact O-N 2.89Å; L390-W393 PolarHBondContact O-N 3.24Å; W393-Y395 VanDerWaalsContact C-N 3.31Å; W393-Y395 PolarHBondContact O-N 3.1Å; W393-F396 PolarHBondContact O-N 3.11Å; W393-K397 HydrophobicContact CH2-CD 3.68Å; W393-K397 HydrophobicContact CH2-CG 4.32Å; W393-K397 HydrophobicContact CZ2-CD 4.13Å; W393-K397 HydrophobicContact CZ2-CG 4.33Å; W393-K397 HydrophobicContact CZ3-CD 3.9Å; W393-K397 HydrophobicContact CZ3-CG 4.49Å; W393-K397 PolarHBondContact O-N 3.41Å
394	S	57.9	Low	54.9	Low	82 Å²	82	91 Å²	91	57%	0.573	47%	0.465	S	S	*	.	H	α-helix	trans	-61.5	-40.7	174.3	-176.4	0	0	0	0	111.9	L390 S391 S398	L390-S394 PolarHBondContact O-N 2.91Å; S391-S394 PolarHBondContact O-N 3.44Å; S394-S398 PolarHBondContact O-N 2.77Å
395	Y	55.2	Low	55.7	Low	134 Å²	134	93 Å²	93	53%	0.525	48%	0.475	S	S	.	.	H	α-helix	trans	-68.8	-39.4	175.6	-171.6	-92.6	0	0	0	111.4	S391 Y392 W393 S398 V399 F411	S391-Y395 PolarHBondContact O-N 3.06Å; S391-Y395 VanDerWaalsContact O-N 3.1Å; Y392-Y395 PolarHBondContact O-N 3.46Å; W393-Y395 VanDerWaalsContact C-N 3.31Å; W393-Y395 PolarHBondContact O-N 3.1Å; Y395-S398 PolarHBondContact O-N 3.5Å; Y395-S398 PolarHBondContact O-OG 3.45Å; Y395-V399 HydrophobicContact CD1-CG2 3.96Å; Y395-V399 HydrophobicContact CE1-CG2 3.65Å; Y395-V399 WeakPolarHBondContact O-CB 3.44Å; Y395-V399 WeakPolarHBondContact O-CG2 3.38Å; Y395-V399 PolarHBondContact O-N 3.37Å; Y395-V399 VanDerWaalsContact O-N 3.14Å; Y395-F411 HydrophobicContact CE1-CE1 4.27Å; Y395-F411 AromaticContact CE1-CZ 3.82Å; Y395-F411 HydrophobicContact CE1-CZ 3.82Å
396	F	50.3	Low	56.7	Low	54 Å²	54	96.7 Å²	96.7	24%	0.237	49%	0.493	C	S	.	.	H	α-helix	trans	-62	-45.3	176.6	-178.9	-95.2	0	0	0	111.9	Y392 W393 S398 V399 E400 F651 L654	Y392-F396 WeakPolarHBondContact O-CB 3.32Å; Y392-F396 PolarHBondContact O-N 3.07Å; W393-F396 PolarHBondContact O-N 3.11Å; F396-S398 VanDerWaalsContact C-N 3.34Å; F396-S398 PolarHBondContact O-N 2.9Å; F396-V399 CarbonylContact O-C 3.59Å; F396-V399 WeakPolarHBondContact O-CB 3.11Å; F396-V399 PolarHBondContact O-N 3.08Å; F396-V399 VanDerWaalsContact O-N 3.09Å; F396-E400 HydrophobicContact CE1-CB 4.26Å; F396-E400 WeakPolarHBondContact O-CB 3.41Å; F396-E400 PolarHBondContact O-N 3.17Å; F396-F651 HydrophobicContact CD2-CE1 4.44Å; F396-F651 AromaticContact CE2-CE1 3.8Å; F396-F651 HydrophobicContact CE2-CE1 3.8Å; F396-F651 HydrophobicContact CE2-CZ 4.45Å; F396-F651 HydrophobicContact CZ-CE1 4.23Å; F396-L654 HydrophobicContact CE1-CD1 4.33Å
397	K	56.4	Low	58	Low	94 Å²	94	97 Å²	97	41%	0.409	49%	0.492	S	S	.	.	H	α-helix	trans	-59.5	-41.6	178	-106.6	-158.1	172.3	-163.5	0	113.2	W393 V399 E400 E401	W393-K397 HydrophobicContact CH2-CD 3.68Å; W393-K397 HydrophobicContact CH2-CG 4.32Å; W393-K397 HydrophobicContact CZ2-CD 4.13Å; W393-K397 HydrophobicContact CZ2-CG 4.33Å; W393-K397 HydrophobicContact CZ3-CD 3.9Å; W393-K397 HydrophobicContact CZ3-CG 4.49Å; W393-K397 PolarHBondContact O-N 3.41Å; K397-V399 PolarHBondContact O-N 2.95Å; K397-E400 PolarHBondContact O-N 2.95Å; K397-E401 PolarHBondContact O-N 2.84Å
398	S	59	Low	58.7	Low	67 Å²	67	93.7 Å²	93.7	47%	0.469	48%	0.478	S	S	.	.	H	α-helix	trans	-67.7	-30	177.7	66.9	0	0	0	0	112.1	S394 Y395 F396	S394-S398 PolarHBondContact O-N 2.77Å; Y395-S398 PolarHBondContact O-N 3.5Å; Y395-S398 PolarHBondContact O-OG 3.45Å; F396-S398 VanDerWaalsContact C-N 3.34Å; F396-S398 PolarHBondContact O-N 2.9Å
399	V	53.6	Low	59.4	Low	21 Å²	21	95.1 Å²	95.1	13%	0.127	48%	0.484	C	S	.	.	H	α-helix	trans	-77.6	-40	176.4	173.5	0	0	0	0	111.6	Y395 F396 K397 E401 A402 L403	Y395-V399 HydrophobicContact CD1-CG2 3.96Å; Y395-V399 HydrophobicContact CE1-CG2 3.65Å; Y395-V399 WeakPolarHBondContact O-CB 3.44Å; Y395-V399 WeakPolarHBondContact O-CG2 3.38Å; Y395-V399 PolarHBondContact O-N 3.37Å; Y395-V399 VanDerWaalsContact O-N 3.14Å; F396-V399 CarbonylContact O-C 3.59Å; F396-V399 WeakPolarHBondContact O-CB 3.11Å; F396-V399 PolarHBondContact O-N 3.08Å; F396-V399 VanDerWaalsContact O-N 3.09Å; K397-V399 PolarHBondContact O-N 2.95Å; V399-E401 VanDerWaalsContact C-N 3.33Å; V399-E401 PolarHBondContact O-N 3.27Å; V399-A402 CarbonylContact O-C 3.31Å; V399-A402 PolarHBondContact O-N 3.29Å; V399-L403 HydrophobicContact CG1-CB 4.31Å; V399-L403 HydrophobicContact CG1-CD1 3.22Å; V399-L403 HydrophobicContact CG1-CG 3.69Å; V399-L403 WeakPolarHBondContact O-CB 3.46Å; V399-L403 PolarHBondContact O-N 3.46Å
400	E	51.8	Low	60.3	Low	94 Å²	94	95.5 Å²	95.5	44%	0.439	49%	0.492	S	S	.	.	H	α-helix	trans	-60	-40.5	177.5	-176	-177.4	-164.8	0	0	112	F396 K397 A402	F396-E400 HydrophobicContact CE1-CB 4.26Å; F396-E400 WeakPolarHBondContact O-CB 3.41Å; F396-E400 PolarHBondContact O-N 3.17Å; K397-E400 PolarHBondContact O-N 2.95Å; E400-A402 PolarHBondContact O-N 3.16Å
401	E	63.5	Low	61.3	Low	169 Å²	169	93.2 Å²	93.2	79%	0.79	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.2	175.8	-69.3	179.5	179.9	0	0	113	K397 V399	K397-E401 PolarHBondContact O-N 2.84Å; V399-E401 VanDerWaalsContact C-N 3.33Å; V399-E401 PolarHBondContact O-N 3.27Å
402	A	64.7	Low	61.9	Low	75 Å²	75	92.2 Å²	92.2	62%	0.62	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-26.2	-171.8	0	0	0	0	0	115	V399 E400	V399-A402 CarbonylContact O-C 3.31Å; V399-A402 PolarHBondContact O-N 3.29Å; E400-A402 PolarHBondContact O-N 3.16Å
403	L	65	Low	62.8	Low	60 Å²	60	89.1 Å²	89.1	31%	0.314	47%	0.465	S	S	.	.			trans	-105.3	139.7	-173.8	-68.9	-171.2	0	0	0	112.6	V399 E407 F411	V399-L403 HydrophobicContact CG1-CB 4.31Å; V399-L403 HydrophobicContact CG1-CD1 3.22Å; V399-L403 HydrophobicContact CG1-CG 3.69Å; V399-L403 WeakPolarHBondContact O-CB 3.46Å; V399-L403 PolarHBondContact O-N 3.46Å; L403-E407 HydrophobicContact CB-CB 4.04Å; L403-E407 HydrophobicContact CD1-CB 4.26Å; L403-E407 HydrophobicContact CD2-CB 3.82Å; L403-E407 HydrophobicContact CD2-CG 4.42Å; L403-E407 HydrophobicContact CG-CB 4.26Å; L403-F411 HydrophobicContact CD1-CB 4.41Å
404	T	75.2	Confident	64.1	Low	81 Å²	81	88 Å²	88	50%	0.497	47%	0.465	S	S	.	.			trans	-67.6	157.5	164.5	61.4	0	0	0	0	110.9	E406 E407 A408	T404-E406 PolarHBondContact O-N 2.96Å; T404-E407 WeakPolarHBondContact CB-OE2 3.31Å; T404-E407 PolarHBondContact N-OE2 3.36Å; T404-E407 WeakPolarHBondContact O-CB 3.45Å; T404-E407 PolarHBondContact O-N 3.47Å; T404-E407 VanDerWaalsContact OG1-CD 3.22Å; T404-E407 VanDerWaalsContact OG1-CG 3.27Å; T404-E407 WeakPolarHBondContact OG1-CG 3.44Å; T404-E407 PolarHBondContact OG1-N 3.12Å; T404-E407 PolarHBondContact OG1-OE2 2.91Å; T404-A408 PolarHBondContact O-N 3.24Å
405	L	64.6	Low	64.5	Low	136 Å²	136	87.1 Å²	87.1	71%	0.712	45%	0.453	S	S	*	.	H	α-helix	trans	-53.3	-39.9	178.6	-176.5	67.8	0	0	0	112.7	A408 E409	L405-A408 PolarHBondContact O-N 3.18Å; L405-E409 WeakPolarHBondContact O-CG 3.14Å; L405-E409 PolarHBondContact O-N 3.37Å
406	E	71.5	Confident	65.3	Low	153 Å²	153	86 Å²	86	72%	0.715	45%	0.451	S	S	*	.	H	α-helix	trans	-66.7	-37.9	178.4	-170.2	174.2	-173.9	0	0	112.1	T404 T410	T404-E406 PolarHBondContact O-N 2.96Å; E406-T410 WeakPolarHBondContact O-CB 3.5Å; E406-T410 PolarHBondContact O-N 3.36Å; E406-T410 VanDerWaalsContact O-N 3.11Å; E406-T410 PolarHBondContact O-OG1 3.49Å
407	E	71.1	Confident	66.4	Low	95 Å²	95	86.1 Å²	86.1	44%	0.444	46%	0.459	S	S	.	.	H	α-helix	trans	-69.2	-38.2	173.4	-69.1	164.1	147.9	0	0	111.5	L403 T404 T410 F411	L403-E407 HydrophobicContact CB-CB 4.04Å; L403-E407 HydrophobicContact CD1-CB 4.26Å; L403-E407 HydrophobicContact CD2-CB 3.82Å; L403-E407 HydrophobicContact CD2-CG 4.42Å; L403-E407 HydrophobicContact CG-CB 4.26Å; T404-E407 WeakPolarHBondContact CB-OE2 3.31Å; T404-E407 PolarHBondContact N-OE2 3.36Å; T404-E407 WeakPolarHBondContact O-CB 3.45Å; T404-E407 PolarHBondContact O-N 3.47Å; T404-E407 VanDerWaalsContact OG1-CD 3.22Å; T404-E407 VanDerWaalsContact OG1-CG 3.27Å; T404-E407 WeakPolarHBondContact OG1-CG 3.44Å; T404-E407 PolarHBondContact OG1-N 3.12Å; T404-E407 PolarHBondContact OG1-OE2 2.91Å; E407-T410 PolarHBondContact O-N 3.43Å; E407-F411 VanDerWaalsContact O-CB 3.3Å; E407-F411 WeakPolarHBondContact O-CB 3.45Å; E407-F411 PolarHBondContact O-N 2.87Å
408	A	65.8	Low	67.1	Low	27 Å²	27	87.4 Å²	87.4	22%	0.223	47%	0.467	C	S	.	.	H	α-helix	trans	-65.2	-43	175.8	0	0	0	0	0	112.2	T404 L405 T410 F411 L412	T404-A408 PolarHBondContact O-N 3.24Å; L405-A408 PolarHBondContact O-N 3.18Å; A408-T410 VanDerWaalsContact C-N 3.33Å; A408-T410 PolarHBondContact O-N 3.07Å; A408-F411 PolarHBondContact O-N 3.45Å; A408-L412 WeakPolarHBondContact O-CB 3.42Å; A408-L412 VanDerWaalsContact O-CG 3.31Å; A408-L412 WeakPolarHBondContact O-CG 3.3Å; A408-L412 PolarHBondContact O-N 3.29Å
409	E	66.2	Low	67.6	Low	116 Å²	116	87.3 Å²	87.3	54%	0.542	46%	0.461	S	S	.	.	H	α-helix	trans	-62.2	-40.2	174.3	-76.2	-177.3	171.4	0	0	112.2	L405 S413	L405-E409 WeakPolarHBondContact O-CG 3.14Å; L405-E409 PolarHBondContact O-N 3.37Å; E409-S413 WeakPolarHBondContact O-CB 3.25Å; E409-S413 PolarHBondContact O-N 2.82Å; E409-S413 PolarHBondContact O-OG 2.89Å
410	T	73.6	Confident	68.7	Low	76 Å²	76	91.4 Å²	91.4	47%	0.466	48%	0.478	S	S	.	.	H	α-helix	trans	-64	-48.3	175.5	-57.1	0	0	0	0	110.5	E406 E407 A408 L412 S413 E414	E406-T410 WeakPolarHBondContact O-CB 3.5Å; E406-T410 PolarHBondContact O-N 3.36Å; E406-T410 VanDerWaalsContact O-N 3.11Å; E406-T410 PolarHBondContact O-OG1 3.49Å; E407-T410 PolarHBondContact O-N 3.43Å; A408-T410 VanDerWaalsContact C-N 3.33Å; A408-T410 PolarHBondContact O-N 3.07Å; T410-L412 PolarHBondContact O-N 2.95Å; T410-S413 WeakPolarHBondContact O-CB 3.14Å; T410-S413 PolarHBondContact O-N 3.46Å; T410-S413 VanDerWaalsContact O-N 3.16Å; T410-E414 PolarHBondContact O-N 2.73Å
411	F	70	Confident	69.8	Low	59 Å²	59	91.1 Å²	91.1	26%	0.259	48%	0.479	S	S	.	.	H	α-helix	trans	-60.6	-42.6	177.8	-178.5	-113.3	0	0	0	112.6	Y395 L403 E407 A408 S413 E414 I415	Y395-F411 HydrophobicContact CE1-CE1 4.27Å; Y395-F411 AromaticContact CE1-CZ 3.82Å; Y395-F411 HydrophobicContact CE1-CZ 3.82Å; L403-F411 HydrophobicContact CD1-CB 4.41Å; E407-F411 VanDerWaalsContact O-CB 3.3Å; E407-F411 WeakPolarHBondContact O-CB 3.45Å; E407-F411 PolarHBondContact O-N 2.87Å; A408-F411 PolarHBondContact O-N 3.45Å; F411-S413 VanDerWaalsContact C-N 3.33Å; F411-S413 PolarHBondContact O-N 2.85Å; F411-E414 PolarHBondContact O-N 3.4Å; F411-I415 HydrophobicContact CD1-CD1 3.68Å; F411-I415 HydrophobicContact CE1-CD1 3.21Å; F411-I415 HydrophobicContact CE1-CG1 4.28Å; F411-I415 HydrophobicContact CE2-CD1 4.14Å; F411-I415 HydrophobicContact CE2-CG1 4.42Å; F411-I415 HydrophobicContact CG-CD1 4.33Å; F411-I415 HydrophobicContact CZ-CD1 3.46Å; F411-I415 VanDerWaalsContact CZ-CD1 3.46Å; F411-I415 HydrophobicContact CZ-CG1 4.15Å; F411-I415 WeakPolarHBondContact O-CG1 3.22Å; F411-I415 PolarHBondContact O-N 3.24Å
412	L	66.9	Low	70.2	Confident	61 Å²	61	87.9 Å²	87.9	32%	0.319	47%	0.467	S	S	.	.	H	α-helix	trans	-65.6	-36.3	175.2	-73.3	173.7	0	0	0	112.5	A408 T410 I415 K416 F651	A408-L412 WeakPolarHBondContact O-CB 3.42Å; A408-L412 VanDerWaalsContact O-CG 3.31Å; A408-L412 WeakPolarHBondContact O-CG 3.3Å; A408-L412 PolarHBondContact O-N 3.29Å; T410-L412 PolarHBondContact O-N 2.95Å; L412-I415 PolarHBondContact O-N 2.93Å; L412-K416 VanDerWaalsContact O-CB 3.31Å; L412-K416 WeakPolarHBondContact O-CB 3.4Å; L412-K416 PolarHBondContact O-N 3.25Å; L412-F651 HydrophobicContact CD1-CE1 4.01Å; L412-F651 HydrophobicContact CD1-CZ 4.23Å; L412-F651 HydrophobicContact CD2-CE1 4Å; L412-F651 HydrophobicContact CD2-CE2 4.07Å; L412-F651 HydrophobicContact CD2-CZ 3.43Å; L412-F651 VanDerWaalsContact CD2-CZ 3.43Å; L412-F651 HydrophobicContact CG-CZ 4.49Å
413	S	71.5	Confident	70.5	Confident	80 Å²	80	88 Å²	88	56%	0.559	46%	0.456	S	S	*	.	H	α-helix	trans	-65.8	-40.2	175.2	-62.4	0	0	0	0	111.6	E409 T410 F411 K416 S417	E409-S413 WeakPolarHBondContact O-CB 3.25Å; E409-S413 PolarHBondContact O-N 2.82Å; E409-S413 PolarHBondContact O-OG 2.89Å; T410-S413 WeakPolarHBondContact O-CB 3.14Å; T410-S413 PolarHBondContact O-N 3.46Å; T410-S413 VanDerWaalsContact O-N 3.16Å; F411-S413 VanDerWaalsContact C-N 3.33Å; F411-S413 PolarHBondContact O-N 2.85Å; S413-K416 PolarHBondContact O-N 3.4Å; S413-S417 PolarHBondContact O-N 3.45Å
414	E	72.8	Confident	71.2	Confident	113 Å²	113	90 Å²	90	53%	0.528	46%	0.463	S	S	.	.	H	α-helix	trans	-62.1	-51.5	172.6	-71.7	177.9	178.7	0	0	110.9	T410 F411 K416 S417 E418	T410-E414 PolarHBondContact O-N 2.73Å; F411-E414 PolarHBondContact O-N 3.4Å; E414-K416 VanDerWaalsContact C-N 3.3Å; E414-K416 PolarHBondContact O-N 3.28Å; E414-S417 PolarHBondContact O-N 3.21Å; E414-S417 PolarHBondContact O-OG 3.45Å; E414-E418 WeakPolarHBondContact O-CG 3.49Å; E414-E418 PolarHBondContact O-N 3.32Å
415	I	65.9	Low	71.5	Confident	64 Å²	64	88.6 Å²	88.6	33%	0.328	45%	0.451	S	S	.	.	H	α-helix	trans	-54.9	-45.2	175.8	-73.7	168.2	0	0	0	111.6	F411 L412 S417 E418 L419	F411-I415 HydrophobicContact CD1-CD1 3.68Å; F411-I415 HydrophobicContact CE1-CD1 3.21Å; F411-I415 HydrophobicContact CE1-CG1 4.28Å; F411-I415 HydrophobicContact CE2-CD1 4.14Å; F411-I415 HydrophobicContact CE2-CG1 4.42Å; F411-I415 HydrophobicContact CG-CD1 4.33Å; F411-I415 HydrophobicContact CZ-CD1 3.46Å; F411-I415 VanDerWaalsContact CZ-CD1 3.46Å; F411-I415 HydrophobicContact CZ-CG1 4.15Å; F411-I415 WeakPolarHBondContact O-CG1 3.22Å; F411-I415 PolarHBondContact O-N 3.24Å; L412-I415 PolarHBondContact O-N 2.93Å; I415-S417 VanDerWaalsContact C-N 3.3Å; I415-S417 PolarHBondContact O-N 3.24Å; I415-E418 PolarHBondContact O-N 3.48Å; I415-L419 HydrophobicContact CG2-CD1 3.64Å; I415-L419 HydrophobicContact CG2-CG 4.38Å; I415-L419 WeakPolarHBondContact O-CB 3.28Å; I415-L419 PolarHBondContact O-N 3.29Å
416	K	71.1	Confident	72.1	Confident	110 Å²	110	86.4 Å²	86.4	48%	0.478	44%	0.437	S	S	.	.	H	α-helix	trans	-61.7	-40.9	179.3	-177.1	-179.7	178.1	-178.8	0	111.5	L412 S413 E414 Q420 W644	L412-K416 VanDerWaalsContact O-CB 3.31Å; L412-K416 WeakPolarHBondContact O-CB 3.4Å; L412-K416 PolarHBondContact O-N 3.25Å; S413-K416 PolarHBondContact O-N 3.4Å; E414-K416 VanDerWaalsContact C-N 3.3Å; E414-K416 PolarHBondContact O-N 3.28Å; K416-Q420 WeakPolarHBondContact O-CB 3.33Å; K416-Q420 PolarHBondContact O-N 2.96Å; K416-W644 HydrophobicContact CD-CZ2 4.33Å
417	S	74.4	Confident	72.5	Confident	57 Å²	57	84.6 Å²	84.6	40%	0.399	43%	0.428	S	S	.	.	H	α-helix	trans	-66.8	-40.8	177.9	73.3	0	0	0	0	112.2	S413 E414 I415 Q420 L421	S413-S417 PolarHBondContact O-N 3.45Å; E414-S417 PolarHBondContact O-N 3.21Å; E414-S417 PolarHBondContact O-OG 3.45Å; I415-S417 VanDerWaalsContact C-N 3.3Å; I415-S417 PolarHBondContact O-N 3.24Å; S417-Q420 PolarHBondContact O-N 3.46Å; S417-L421 WeakPolarHBondContact O-CG 3.4Å; S417-L421 PolarHBondContact O-N 2.9Å; S417-L421 VanDerWaalsContact O-N 3.07Å
418	E	71.8	Confident	73.2	Confident	122 Å²	122	84 Å²	84	57%	0.57	43%	0.425	S	S	*	.	H	α-helix	trans	-67.1	-42.9	176.4	-68.5	-63.4	152.2	0	0	111.9	E414 I415 Q420 L421 L422	E414-E418 WeakPolarHBondContact O-CG 3.49Å; E414-E418 PolarHBondContact O-N 3.32Å; I415-E418 PolarHBondContact O-N 3.48Å; E418-Q420 VanDerWaalsContact C-N 3.3Å; E418-Q420 PolarHBondContact O-N 3.31Å; E418-L421 PolarHBondContact O-N 2.8Å; E418-L422 WeakPolarHBondContact O-CB 3.42Å; E418-L422 PolarHBondContact O-N 2.91Å
419	L	67.9	Low	74.2	Confident	65 Å²	65	82.9 Å²	82.9	34%	0.34	42%	0.416	S	S	.	.	H	α-helix	trans	-59.7	-41	173.9	-86.9	162.3	0	0	0	111.9	I415 L422 M423	I415-L419 HydrophobicContact CG2-CD1 3.64Å; I415-L419 HydrophobicContact CG2-CG 4.38Å; I415-L419 WeakPolarHBondContact O-CB 3.28Å; I415-L419 PolarHBondContact O-N 3.29Å; L419-L422 PolarHBondContact O-N 3.43Å; L419-M423 WeakPolarHBondContact O-CG 3.33Å; L419-M423 PolarHBondContact O-N 3.21Å
420	Q	76.9	Confident	75.1	Confident	106 Å²	106	79.1 Å²	79.1	50%	0.495	40%	0.399	S	S	.	.	H	α-helix	trans	-65.6	-41.9	178.1	-174	167.5	-9	0	0	111.7	K416 S417 E418 L422 M423 E424	K416-Q420 WeakPolarHBondContact O-CB 3.33Å; K416-Q420 PolarHBondContact O-N 2.96Å; S417-Q420 PolarHBondContact O-N 3.46Å; E418-Q420 VanDerWaalsContact C-N 3.3Å; E418-Q420 PolarHBondContact O-N 3.31Å; Q420-L422 VanDerWaalsContact C-N 3.35Å; Q420-M423 PolarHBondContact O-N 2.87Å; Q420-E424 WeakPolarHBondContact O-CG 3.3Å; Q420-E424 PolarHBondContact O-N 2.95Å
421	L	75.6	Confident	75.7	Confident	88 Å²	88	77.8 Å²	77.8	46%	0.461	39%	0.386	S	S	.	.	H	α-helix	trans	-60	-45.6	172.8	-73	169.8	0	0	0	111.3	S417 E418 M423 E424 E425	S417-L421 WeakPolarHBondContact O-CG 3.4Å; S417-L421 PolarHBondContact O-N 2.9Å; S417-L421 VanDerWaalsContact O-N 3.07Å; E418-L421 PolarHBondContact O-N 2.8Å; L421-M423 VanDerWaalsContact C-N 3.31Å; L421-M423 PolarHBondContact O-N 3.44Å; L421-E424 PolarHBondContact O-N 3.28Å; L421-E424 VanDerWaalsContact O-N 3.16Å; L421-E425 WeakPolarHBondContact O-CG 3.49Å; L421-E425 PolarHBondContact O-N 3.06Å
422	L	71.5	Confident	76.7	Confident	101 Å²	101	75.1 Å²	75.1	53%	0.529	37%	0.374	S	S	.	.	H	α-helix	trans	-64.2	-36.1	-179.6	-161.3	138.5	0	0	0	112.3	E418 L419 Q420 H426	E418-L422 WeakPolarHBondContact O-CB 3.42Å; E418-L422 PolarHBondContact O-N 2.91Å; L419-L422 PolarHBondContact O-N 3.43Å; Q420-L422 VanDerWaalsContact C-N 3.35Å; L422-H426 WeakPolarHBondContact O-CB 3.49Å; L422-H426 PolarHBondContact O-N 3.37Å
423	M	70.4	Confident	77.8	Confident	79 Å²	79	74.2 Å²	74.2	39%	0.389	37%	0.368	S	S	.	.	H	α-helix	trans	-64.9	-43.9	172.1	-75.8	-179.3	60.2	0	0	112.4	L419 Q420 L421 E425 H426 Q427 A640	L419-M423 WeakPolarHBondContact O-CG 3.33Å; L419-M423 PolarHBondContact O-N 3.21Å; Q420-M423 PolarHBondContact O-N 2.87Å; L421-M423 VanDerWaalsContact C-N 3.31Å; L421-M423 PolarHBondContact O-N 3.44Å; M423-E425 VanDerWaalsContact C-N 3.35Å; M423-H426 PolarHBondContact O-N 3.43Å; M423-Q427 WeakPolarHBondContact O-CG 3.49Å; M423-Q427 PolarHBondContact O-N 3.26Å; M423-A640 HydrophobicContact CE-CB 3.97Å; M423-A640 HydrophobicContact SD-CB 4.45Å
424	E	79.7	Confident	78.4	Confident	101 Å²	101	73.8 Å²	73.8	47%	0.472	36%	0.355	S	S	.	.	H	α-helix	trans	-63.8	-41.2	177.2	-72.5	176.4	-169.8	0	0	111.4	Q420 L421 Q427 Q428	Q420-E424 WeakPolarHBondContact O-CG 3.3Å; Q420-E424 PolarHBondContact O-N 2.95Å; L421-E424 PolarHBondContact O-N 3.28Å; L421-E424 VanDerWaalsContact O-N 3.16Å; E424-Q427 PolarHBondContact O-N 3.28Å; E424-Q428 WeakPolarHBondContact O-CB 3.35Å; E424-Q428 PolarHBondContact O-N 2.94Å
425	E	81.8	Confident	79.2	Confident	52 Å²	52	68.5 Å²	68.5	24%	0.243	33%	0.33	C	S	.	.	H	α-helix	trans	-62.5	-42.8	173.9	-72.2	-172.6	160.5	0	0	111.9	L421 M423 Q428 L429 L526	L421-E425 WeakPolarHBondContact O-CG 3.49Å; L421-E425 PolarHBondContact O-N 3.06Å; M423-E425 VanDerWaalsContact C-N 3.35Å; E425-Q428 WeakPolarHBondContact O-CB 3.45Å; E425-Q428 PolarHBondContact O-N 3.43Å; E425-L429 WeakPolarHBondContact O-CG 3.18Å; E425-L429 PolarHBondContact O-N 3.05Å; E425-L526 HydrophobicContact CB-CD1 4.28Å; E425-L526 HydrophobicContact CG-CD1 3.97Å
426	H	78.5	Confident	80.4	Confident	90 Å²	90	65.4 Å²	65.4	42%	0.417	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-45.8	178	-145.1	84.5	0	0	0	111.9	L422 M423 Q428 L429 D430 R517	L422-H426 WeakPolarHBondContact O-CB 3.49Å; L422-H426 PolarHBondContact O-N 3.37Å; M423-H426 PolarHBondContact O-N 3.43Å; H426-Q428 PolarHBondContact O-N 3.23Å; H426-L429 WeakPolarHBondContact O-CB 3.27Å; H426-L429 PolarHBondContact O-N 3.11Å; H426-L429 VanDerWaalsContact O-N 3.07Å; H426-D430 IonicContact CD2-OD2 3.49Å; H426-D430 PolarHBondContact CD2-OD2 2.87Å; H426-D430 PolarHBondContact O-N 3.28Å; H426-R517 PolarHBondContact NE2-NH2 3.47Å
427	Q	79.7	Confident	81.3	Confident	114 Å²	114	65 Å²	65	53%	0.533	31%	0.312	S	S	.	.	H	α-helix	trans	-58.4	-39.4	174.8	-74.4	-179.7	0.6	0	0	111.9	M423 E424 D430 R431	M423-Q427 WeakPolarHBondContact O-CG 3.49Å; M423-Q427 PolarHBondContact O-N 3.26Å; E424-Q427 PolarHBondContact O-N 3.28Å; Q427-D430 PolarHBondContact O-N 3.36Å; Q427-R431 WeakPolarHBondContact O-CB 3.41Å; Q427-R431 PolarHBondContact O-N 3.23Å
428	Q	85.9	Confident	82	Confident	82 Å²	82	63.6 Å²	63.6	38%	0.383	30%	0.302	S	S	.	.	H	α-helix	trans	-65.4	-42.6	175.5	-172.8	175.6	-13.7	0	0	111.6	E424 E425 H426 R431 I432 L526	E424-Q428 WeakPolarHBondContact O-CB 3.35Å; E424-Q428 PolarHBondContact O-N 2.94Å; E425-Q428 WeakPolarHBondContact O-CB 3.45Å; E425-Q428 PolarHBondContact O-N 3.43Å; H426-Q428 PolarHBondContact O-N 3.23Å; Q428-R431 PolarHBondContact O-N 3.3Å; Q428-I432 HydrophobicContact CG-CD1 3.98Å; Q428-I432 WeakPolarHBondContact O-CD1 3.49Å; Q428-I432 WeakPolarHBondContact O-CG1 3.48Å; Q428-I432 PolarHBondContact O-N 3.01Å; Q428-L526 HydrophobicContact CB-CD2 4.31Å; Q428-L526 HydrophobicContact CG-CD2 3.8Å
429	L	87.2	Confident	82.7	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-41.9	176.4	-71	175.1	0	0	0	112.3	E425 H426 R431 I432 E433 F513 P522 A525 L526	E425-L429 WeakPolarHBondContact O-CG 3.18Å; E425-L429 PolarHBondContact O-N 3.05Å; H426-L429 WeakPolarHBondContact O-CB 3.27Å; H426-L429 PolarHBondContact O-N 3.11Å; H426-L429 VanDerWaalsContact O-N 3.07Å; L429-R431 VanDerWaalsContact C-N 3.35Å; L429-I432 WeakPolarHBondContact O-CB 3.38Å; L429-I432 PolarHBondContact O-N 3.43Å; L429-E433 PolarHBondContact O-N 3.17Å; L429-F513 HydrophobicContact CD2-CE2 4.04Å; L429-F513 HydrophobicContact CD2-CZ 3.7Å; L429-P522 HydrophobicContact CD1-CB 3.93Å; L429-P522 HydrophobicContact CD1-CG 4.49Å; L429-A525 HydrophobicContact CD2-CB 3.64Å; L429-L526 HydrophobicContact CD2-CD2 3.94Å; L429-L526 HydrophobicContact CD2-CG 4.09Å; L429-L526 HydrophobicContact CG-CD2 4.42Å
430	D	84.8	Confident	83.3	Confident	37 Å²	37	63.1 Å²	63.1	20%	0.198	31%	0.312	C	S	.	.	H	α-helix	trans	-68	-37.5	179	-64.8	-27.1	0	0	0	111.7	H426 Q427 I432 E433 R434 R517	H426-D430 IonicContact CD2-OD2 3.49Å; H426-D430 PolarHBondContact CD2-OD2 2.87Å; H426-D430 PolarHBondContact O-N 3.28Å; Q427-D430 PolarHBondContact O-N 3.36Å; D430-I432 VanDerWaalsContact C-N 3.33Å; D430-I432 PolarHBondContact O-N 2.89Å; D430-E433 WeakPolarHBondContact O-CB 3.47Å; D430-E433 PolarHBondContact O-N 2.73Å; D430-R434 WeakPolarHBondContact O-CG 3.33Å; D430-R434 PolarHBondContact O-N 3.48Å; D430-R517 IonicContact OD1-CZ 2.68Å; D430-R517 IonicContact OD1-NH1 2.81Å; D430-R517 PolarHBondContact OD1-NH1 2.71Å; D430-R517 VanDerWaalsContact OD1-NH1 3.07Å; D430-R517 IonicContact OD1-NH2 3.82Å; D430-R517 PolarHBondContact OD1-NH2 3.45Å
431	R	86.3	Confident	83.4	Confident	48 Å²	48	61.3 Å²	61.3	18%	0.181	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-40.3	170.8	-177.5	173.5	164.6	-124.9	-20.3	112.1	Q427 Q428 L429 R434 I435 E540 L544 E547	Q427-R431 WeakPolarHBondContact O-CB 3.41Å; Q427-R431 PolarHBondContact O-N 3.23Å; Q428-R431 PolarHBondContact O-N 3.3Å; L429-R431 VanDerWaalsContact C-N 3.35Å; R431-R434 PolarHBondContact O-N 3.26Å; R431-I435 HydrophobicContact CG-CD1 4.41Å; R431-I435 WeakPolarHBondContact O-CG1 3.25Å; R431-I435 PolarHBondContact O-N 3.28Å; R431-E540 IonicContact CZ-OE1 2.71Å; R431-E540 IonicContact NH2-OE1 2.73Å; R431-E540 PolarHBondContact NH2-OE1 3.48Å; R431-E540 VanDerWaalsContact NH2-OE1 3.1Å; R431-L544 VanDerWaalsContact NH2-CD1 3.27Å; R431-E547 WeakPolarHBondContact CD-OE1 3.5Å; R431-E547 WeakPolarHBondContact CG-OE1 3.12Å; R431-E547 IonicContact NE-OE1 3.12Å; R431-E547 IonicContact NE-OE2 3.69Å
432	I	89.9	Confident	83.9	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.015	30%	0.301	C	S	.	.	H	α-helix	trans	-65.7	-40.6	176	-66.1	159.6	0	0	0	110.8	Q428 L429 D430 R434 I435 L436 F513 L526 W529	Q428-I432 HydrophobicContact CG-CD1 3.98Å; Q428-I432 WeakPolarHBondContact O-CD1 3.49Å; Q428-I432 WeakPolarHBondContact O-CG1 3.48Å; Q428-I432 PolarHBondContact O-N 3.01Å; L429-I432 WeakPolarHBondContact O-CB 3.38Å; L429-I432 PolarHBondContact O-N 3.43Å; D430-I432 VanDerWaalsContact C-N 3.33Å; D430-I432 PolarHBondContact O-N 2.89Å; I432-R434 VanDerWaalsContact C-N 3.34Å; I432-R434 PolarHBondContact O-N 3.37Å; I432-I435 PolarHBondContact O-N 3.18Å; I432-I435 VanDerWaalsContact O-N 3.12Å; I432-L436 HydrophobicContact CG2-CD1 3.62Å; I432-L436 HydrophobicContact CG2-CG 4.12Å; I432-L436 PolarHBondContact O-N 2.94Å; I432-F513 HydrophobicContact CB-CE2 4.17Å; I432-F513 HydrophobicContact CB-CZ 3.85Å; I432-F513 HydrophobicContact CD1-CE2 4.38Å; I432-F513 HydrophobicContact CG2-CD1 4.46Å; I432-F513 HydrophobicContact CG2-CD2 3.94Å; I432-F513 HydrophobicContact CG2-CE1 3.99Å; I432-F513 HydrophobicContact CG2-CE2 3.41Å; I432-F513 VanDerWaalsContact CG2-CE2 3.41Å; I432-F513 HydrophobicContact CG2-CG 4.43Å; I432-F513 HydrophobicContact CG2-CZ 3.44Å; I432-F513 VanDerWaalsContact CG2-CZ 3.44Å; I432-L526 HydrophobicContact CD1-CD2 3.71Å; I432-W529 HydrophobicContact CB-CD2 4.32Å; I432-W529 HydrophobicContact CB-CE3 4.49Å; I432-W529 HydrophobicContact CD1-CB 3.78Å; I432-W529 HydrophobicContact CD1-CD2 3.97Å; I432-W529 HydrophobicContact CD1-CG 3.41Å; I432-W529 VanDerWaalsContact CD1-CG 3.41Å; I432-W529 HydrophobicContact CG1-CB 4.44Å; I432-W529 HydrophobicContact CG1-CD2 3.69Å; I432-W529 HydrophobicContact CG1-CE3 4.33Å; I432-W529 HydrophobicContact CG1-CG 3.72Å; I432-W529 HydrophobicContact CG1-CZ2 4.28Å; I432-W529 HydrophobicContact CG2-CB 4.28Å; I432-W529 HydrophobicContact CG2-CD2 3.67Å; I432-W529 HydrophobicContact CG2-CE3 3.48Å; I432-W529 VanDerWaalsContact CG2-CE3 3.48Å; I432-W529 HydrophobicContact CG2-CG 4.03Å; I432-W529 HydrophobicContact CG2-CZ3 4.01Å
433	E	90.1	Very high	84.6	Confident	42 Å²	42	58.1 Å²	58.1	20%	0.196	30%	0.299	C	S	.	.	H	α-helix	trans	-57.5	-46.5	174.2	171.7	160.4	177.3	0	0	111	L429 D430 I435 L436 K437 W510 R517	L429-E433 PolarHBondContact O-N 3.17Å; D430-E433 WeakPolarHBondContact O-CB 3.47Å; D430-E433 PolarHBondContact O-N 2.73Å; E433-I435 PolarHBondContact O-N 3.47Å; E433-L436 PolarHBondContact O-N 3.46Å; E433-K437 HydrophobicContact CG-CB 4.29Å; E433-K437 HydrophobicContact CG-CD 3.97Å; E433-K437 WeakPolarHBondContact O-CB 3.15Å; E433-K437 PolarHBondContact O-N 2.96Å; E433-K437 WeakPolarHBondContact OE1-CD 2.99Å; E433-K437 IonicContact OE1-NZ 3.46Å; E433-K437 PolarHBondContact OE1-NZ 3.34Å; E433-W510 HydrophobicContact CB-CH2 4.19Å; E433-W510 HydrophobicContact CB-CZ3 3.92Å; E433-W510 HydrophobicContact CG-CH2 3.51Å; E433-W510 HydrophobicContact CG-CZ2 4.5Å; E433-W510 HydrophobicContact CG-CZ3 3.65Å; E433-R517 IonicContact OE2-CZ 3.54Å; E433-R517 IonicContact OE2-NH1 2.91Å; E433-R517 PolarHBondContact OE2-NH1 3.26Å
434	R	85.1	Confident	85.4	Confident	72 Å²	72	60.2 Å²	60.2	27%	0.272	31%	0.307	S	S	.	.	H	α-helix	trans	-59.9	-31.2	176.2	-69.6	-170.1	-67.7	-94.3	1.7	113.6	D430 R431 I432 E547	D430-R434 WeakPolarHBondContact O-CG 3.33Å; D430-R434 PolarHBondContact O-N 3.48Å; R431-R434 PolarHBondContact O-N 3.26Å; I432-R434 VanDerWaalsContact C-N 3.34Å; I432-R434 PolarHBondContact O-N 3.37Å; R434-E547 IonicContact CZ-OE1 3.43Å; R434-E547 IonicContact NH2-OE1 3.57Å; R434-E547 PolarHBondContact NH2-OE1 3.28Å
435	I	88.1	Confident	85.8	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-77.4	-46.6	177.7	-65.4	162.3	0	0	0	111.2	R431 I432 E433 K506 W529 F536 T539 E540 Q543	R431-I435 HydrophobicContact CG-CD1 4.41Å; R431-I435 WeakPolarHBondContact O-CG1 3.25Å; R431-I435 PolarHBondContact O-N 3.28Å; I432-I435 PolarHBondContact O-N 3.18Å; I432-I435 VanDerWaalsContact O-N 3.12Å; E433-I435 PolarHBondContact O-N 3.47Å; I435-K506 WeakPolarHBondContact O-CE 3.46Å; I435-K506 PolarHBondContact O-NZ 3.23Å; I435-W529 HydrophobicContact CB-CH2 4.29Å; I435-W529 HydrophobicContact CD1-CH2 3.99Å; I435-W529 HydrophobicContact CD1-CZ2 4.06Å; I435-W529 HydrophobicContact CG2-CH2 3.82Å; I435-W529 HydrophobicContact CG2-CZ3 4.31Å; I435-F536 HydrophobicContact CG2-CB 3.88Å; I435-F536 HydrophobicContact CG2-CD1 4.06Å; I435-F536 HydrophobicContact CG2-CG 4.16Å; I435-T539 HydrophobicContact CG2-CG2 3.92Å; I435-E540 HydrophobicContact CD1-CB 4.06Å; I435-E540 HydrophobicContact CD1-CG 4.01Å; I435-Q543 HydrophobicContact CG1-CB 4.27Å; I435-Q543 HydrophobicContact CG1-CG 3.85Å
436	L	91.1	Very high	86.2	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-84.5	-37.7	-170.9	-72.4	179.6	0	0	0	113.7	I432 E433 P438 K506 W510 F513 W529 I532 F536	I432-L436 HydrophobicContact CG2-CD1 3.62Å; I432-L436 HydrophobicContact CG2-CG 4.12Å; I432-L436 PolarHBondContact O-N 2.94Å; E433-L436 PolarHBondContact O-N 3.46Å; L436-P438 WeakPolarHBondContact O-CD 3.48Å; L436-K506 WeakPolarHBondContact O-CE 3.4Å; L436-K506 VanDerWaalsContact O-CG 3.3Å; L436-K506 WeakPolarHBondContact O-CG 3.39Å; L436-W510 HydrophobicContact CB-CB 4.42Å; L436-W510 HydrophobicContact CB-CE3 3.96Å; L436-F513 HydrophobicContact CD1-CB 3.69Å; L436-F513 HydrophobicContact CD1-CD1 4.14Å; L436-F513 HydrophobicContact CD1-CD2 4Å; L436-F513 HydrophobicContact CD1-CG 3.67Å; L436-W529 HydrophobicContact CD1-CE3 4Å; L436-W529 HydrophobicContact CD1-CZ3 4.14Å; L436-W529 HydrophobicContact CD2-CE3 4.44Å; L436-W529 HydrophobicContact CD2-CZ3 3.86Å; L436-W529 HydrophobicContact CG-CE3 4.24Å; L436-W529 HydrophobicContact CG-CZ3 3.85Å; L436-I532 HydrophobicContact CD1-CD1 3.87Å; L436-I532 HydrophobicContact CD2-CD1 3.85Å; L436-F536 HydrophobicContact CD2-CD1 4.22Å; L436-F536 HydrophobicContact CD2-CD2 3.72Å; L436-F536 HydrophobicContact CD2-CE1 3.87Å; L436-F536 HydrophobicContact CD2-CE2 3.34Å; L436-F536 HydrophobicContact CD2-CG 4.14Å; L436-F536 HydrophobicContact CD2-CZ 3.41Å; L436-F536 VanDerWaalsContact CD2-CZ 3.41Å
437	K	90.8	Very high	86.9	Confident	101 Å²	101	57.5 Å²	57.5	44%	0.439	30%	0.296	S	S	.	.	S	Bend	trans	-62.6	122.5	-175.8	-170.9	174.7	-172.6	170.5	0	109.3	E433 S439 W510	E433-K437 HydrophobicContact CG-CB 4.29Å; E433-K437 HydrophobicContact CG-CD 3.97Å; E433-K437 WeakPolarHBondContact O-CB 3.15Å; E433-K437 PolarHBondContact O-N 2.96Å; E433-K437 WeakPolarHBondContact OE1-CD 2.99Å; E433-K437 IonicContact OE1-NZ 3.46Å; E433-K437 PolarHBondContact OE1-NZ 3.34Å; K437-S439 PolarHBondContact O-N 3.16Å; K437-W510 HydrophobicContact CB-CD2 4.11Å; K437-W510 HydrophobicContact CB-CE3 4.17Å; K437-W510 HydrophobicContact CB-CH2 4.5Å; K437-W510 HydrophobicContact CB-CZ2 4.42Å; K437-W510 HydrophobicContact CB-CZ3 4.36Å; K437-W510 HydrophobicContact CD-CH2 4.45Å; K437-W510 HydrophobicContact CD-CZ2 4.17Å; K437-W510 HydrophobicContact CG-CD2 4.4Å; K437-W510 HydrophobicContact CG-CZ2 4.15Å
438	P	88.9	Confident	87.4	Confident	28 Å²	28	55.1 Å²	55.1	18%	0.182	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-58.1	124.2	174.5	-25.3	35.2	0	0	0	110.1	L436 D442 L443 K507	L436-P438 WeakPolarHBondContact O-CD 3.48Å; P438-D442 HydrophobicContact CB-CB 4.17Å; P438-L443 HydrophobicContact CB-CD2 4.38Å; P438-K507 HydrophobicContact CG-CB 4.3Å
439	S	85.8	Confident	87.8	Confident	52 Å²	52	51.5 Å²	51.5	36%	0.364	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-72.5	167.4	175.4	68.4	0	0	0	0	111	K437 A441 D442 L443	K437-S439 PolarHBondContact O-N 3.16Å; S439-A441 PolarHBondContact O-N 2.93Å; S439-A441 PolarHBondContact OG-N 2.97Å; S439-D442 PolarHBondContact N-OD2 3.49Å; S439-D442 WeakPolarHBondContact O-CB 3.35Å; S439-D442 PolarHBondContact O-N 3.02Å; S439-D442 VanDerWaalsContact O-N 3.1Å; S439-D442 PolarHBondContact OG-N 3.11Å; S439-D442 PolarHBondContact OG-OD2 3.24Å; S439-D442 VanDerWaalsContact OG-OD2 3.12Å; S439-L443 PolarHBondContact O-N 3.41Å
440	V	80.9	Confident	88	Confident	125 Å²	125	56.4 Å²	56.4	76%	0.758	29%	0.291	S	S	*	.	H	α-helix	trans	-58.5	-34.9	171	179.4	0	0	0	0	111.1	L443 H444	V440-L443 PolarHBondContact O-N 3.33Å; V440-H444 PolarHBondContact O-N 2.86Å
441	A	78.7	Confident	88.4	Confident	68 Å²	68	59.5 Å²	59.5	56%	0.562	30%	0.303	S	S	*	.	H	α-helix	trans	-66.9	-39.6	175.4	0	0	0	0	0	112.1	S439 H444 L445	S439-A441 PolarHBondContact O-N 2.93Å; S439-A441 PolarHBondContact OG-N 2.97Å; A441-H444 PolarHBondContact O-N 2.72Å; A441-L445 WeakPolarHBondContact O-CB 3.28Å; A441-L445 PolarHBondContact O-N 3.36Å
442	D	86.6	Confident	88.7	Confident	30 Å²	30	64.6 Å²	64.6	16%	0.16	32%	0.322	C	S	.	.	H	α-helix	trans	-61.4	-45.6	175.1	-66.8	-30	0	0	0	110.9	P438 S439 L445 Q446 L503 K506	P438-D442 HydrophobicContact CB-CB 4.17Å; S439-D442 PolarHBondContact N-OD2 3.49Å; S439-D442 WeakPolarHBondContact O-CB 3.35Å; S439-D442 PolarHBondContact O-N 3.02Å; S439-D442 VanDerWaalsContact O-N 3.1Å; S439-D442 PolarHBondContact OG-N 3.11Å; S439-D442 PolarHBondContact OG-OD2 3.24Å; S439-D442 VanDerWaalsContact OG-OD2 3.12Å; D442-L445 PolarHBondContact O-N 2.83Å; D442-Q446 VanDerWaalsContact O-CB 3.3Å; D442-Q446 WeakPolarHBondContact O-CB 3.35Å; D442-Q446 PolarHBondContact O-N 2.97Å; D442-L503 HydrophobicContact CB-CD2 3.94Å; D442-K506 IonicContact OD2-NZ 3.66Å; D442-K506 PolarHBondContact OD2-NZ 3.39Å
443	L	86.4	Confident	88.8	Confident	92 Å²	92	65.3 Å²	65.3	48%	0.482	33%	0.326	S	S	.	.	H	α-helix	trans	-64	-41.6	178.1	-65.7	174.8	0	0	0	112.2	P438 S439 V440 Q446 H447	P438-L443 HydrophobicContact CB-CD2 4.38Å; S439-L443 PolarHBondContact O-N 3.41Å; V440-L443 PolarHBondContact O-N 3.33Å; L443-Q446 PolarHBondContact O-N 2.68Å; L443-H447 PolarHBondContact O-N 3.02Å
444	H	87	Confident	88.9	Confident	122 Å²	122	69.3 Å²	69.3	57%	0.565	34%	0.343	S	S	*	.	H	α-helix	trans	-64.8	-45.3	175.3	-177.8	-63.3	0	0	0	111.3	V440 A441 Q446 H447 E448	V440-H444 PolarHBondContact O-N 2.86Å; A441-H444 PolarHBondContact O-N 2.72Å; H444-Q446 VanDerWaalsContact C-N 3.3Å; H444-Q446 PolarHBondContact O-N 2.85Å; H444-H447 PolarHBondContact O-N 2.96Å; H444-E448 VanDerWaalsContact CE1-CG 3.49Å; H444-E448 WeakPolarHBondContact CE1-CG 3.45Å; H444-E448 PolarHBondContact O-N 3.37Å
445	L	88.7	Confident	89.3	Confident	67 Å²	67	72.7 Å²	72.7	35%	0.351	36%	0.359	S	S	.	.	H	α-helix	trans	-61.5	-42.4	177.6	179.3	59.5	0	0	0	110.7	A441 D442 H447 E448 L449 K499 L503	A441-L445 WeakPolarHBondContact O-CB 3.28Å; A441-L445 PolarHBondContact O-N 3.36Å; D442-L445 PolarHBondContact O-N 2.83Å; L445-H447 PolarHBondContact O-N 3.43Å; L445-E448 PolarHBondContact O-N 2.8Å; L445-L449 HydrophobicContact CD1-CD1 4.18Å; L445-L449 HydrophobicContact CD1-CG 4.05Å; L445-L449 HydrophobicContact CG-CD1 3.95Å; L445-L449 HydrophobicContact CG-CG 4.27Å; L445-L449 WeakPolarHBondContact O-CB 3.28Å; L445-L449 VanDerWaalsContact O-CG 3.23Å; L445-L449 WeakPolarHBondContact O-CG 3.31Å; L445-L449 PolarHBondContact O-N 3.16Å; L445-K499 HydrophobicContact CD2-CG 4.41Å; L445-L503 HydrophobicContact CB-CD1 4.28Å; L445-L503 HydrophobicContact CD2-CD1 4.15Å; L445-L503 HydrophobicContact CG-CD1 4.05Å
446	Q	90.4	Very high	89.4	Confident	20 Å²	20	73.9 Å²	73.9	9%	0.093	37%	0.367	C	S	.	.	H	α-helix	trans	-57	-49.1	175.9	-172.7	175.5	12.2	0	0	111.6	D442 L443 H444 E448 L449 E450 F500 L503 E504	D442-Q446 VanDerWaalsContact O-CB 3.3Å; D442-Q446 WeakPolarHBondContact O-CB 3.35Å; D442-Q446 PolarHBondContact O-N 2.97Å; L443-Q446 PolarHBondContact O-N 2.68Å; H444-Q446 VanDerWaalsContact C-N 3.3Å; H444-Q446 PolarHBondContact O-N 2.85Å; Q446-E448 VanDerWaalsContact C-N 3.34Å; Q446-E448 PolarHBondContact O-N 2.95Å; Q446-L449 PolarHBondContact O-N 3.36Å; Q446-E450 WeakPolarHBondContact O-CB 3.25Å; Q446-E450 PolarHBondContact O-N 3.3Å; Q446-F500 HydrophobicContact CG-CD2 3.91Å; Q446-F500 HydrophobicContact CG-CE2 3.51Å; Q446-F500 HydrophobicContact CG-CZ 4.36Å; Q446-L503 HydrophobicContact CB-CD1 3.97Å; Q446-E504 PolarHBondContact NE2-OE1 3.24Å
447	H	92.1	Very high	89.5	Confident	100 Å²	100	76.9 Å²	76.9	46%	0.463	38%	0.38	S	S	.	.	H	α-helix	trans	-61.3	-40.8	178.1	-173.7	59.5	0	0	0	112.7	L443 H444 L445 K451	L443-H447 PolarHBondContact O-N 3.02Å; H444-H447 PolarHBondContact O-N 2.96Å; L445-H447 PolarHBondContact O-N 3.43Å; H447-K451 WeakPolarHBondContact NE2-CE 3.47Å; H447-K451 PolarHBondContact NE2-NZ 3.48Å; H447-K451 WeakPolarHBondContact O-CG 3.39Å; H447-K451 PolarHBondContact O-N 2.88Å; H447-K451 VanDerWaalsContact O-N 3.13Å
448	E	91.3	Very high	89.5	Confident	64 Å²	64	76.7 Å²	76.7	30%	0.299	38%	0.381	S	S	.	.	H	α-helix	trans	-69.3	-37.8	176.9	-73.9	-61.3	123.3	0	0	112.6	H444 L445 Q446 K451 R452	H444-E448 VanDerWaalsContact CE1-CG 3.49Å; H444-E448 WeakPolarHBondContact CE1-CG 3.45Å; H444-E448 PolarHBondContact O-N 3.37Å; L445-E448 PolarHBondContact O-N 2.8Å; Q446-E448 VanDerWaalsContact C-N 3.34Å; Q446-E448 PolarHBondContact O-N 2.95Å; E448-K451 IonicContact OE1-NZ 3.66Å; E448-K451 PolarHBondContact OE1-NZ 3.46Å; E448-R452 WeakPolarHBondContact O-CG 3.43Å; E448-R452 PolarHBondContact O-N 2.97Å; E448-R452 VanDerWaalsContact O-N 3.13Å
449	L	92.8	Very high	89.6	Confident	6 Å²	6	77.8 Å²	77.8	3%	0.031	39%	0.388	C	S	.	.	H	α-helix	trans	-66	-42.2	174.1	-72	176.2	0	0	0	111.4	L445 Q446 K451 R452 I453 P496 K499 F500 L503	L445-L449 HydrophobicContact CD1-CD1 4.18Å; L445-L449 HydrophobicContact CD1-CG 4.05Å; L445-L449 HydrophobicContact CG-CD1 3.95Å; L445-L449 HydrophobicContact CG-CG 4.27Å; L445-L449 WeakPolarHBondContact O-CB 3.28Å; L445-L449 VanDerWaalsContact O-CG 3.23Å; L445-L449 WeakPolarHBondContact O-CG 3.31Å; L445-L449 PolarHBondContact O-N 3.16Å; Q446-L449 PolarHBondContact O-N 3.36Å; L449-K451 PolarHBondContact O-N 3.49Å; L449-R452 WeakPolarHBondContact O-CB 3.44Å; L449-R452 PolarHBondContact O-N 3.47Å; L449-R452 VanDerWaalsContact O-N 3.14Å; L449-I453 WeakPolarHBondContact O-CB 3.21Å; L449-I453 WeakPolarHBondContact O-CG1 3.23Å; L449-I453 PolarHBondContact O-N 3.5Å; L449-P496 HydrophobicContact CD2-CB 4.04Å; L449-K499 HydrophobicContact CD1-CB 3.78Å; L449-K499 HydrophobicContact CD1-CG 3.75Å; L449-F500 HydrophobicContact CB-CB 4.32Å; L449-F500 HydrophobicContact CB-CD2 4.04Å; L449-F500 HydrophobicContact CD1-CB 4.32Å; L449-L503 HydrophobicContact CD1-CD1 4.16Å
450	E	92.7	Very high	89.8	Confident	106 Å²	106	75.4 Å²	75.4	50%	0.495	37%	0.371	S	S	.	.	H	α-helix	trans	-59.5	-45.9	176.7	-167.5	177.3	178.3	0	0	111.6	Q446 R452 I453 K454 F500	Q446-E450 WeakPolarHBondContact O-CB 3.25Å; Q446-E450 PolarHBondContact O-N 3.3Å; E450-R452 VanDerWaalsContact C-N 3.31Å; E450-R452 PolarHBondContact O-N 2.9Å; E450-I453 PolarHBondContact O-N 2.87Å; E450-K454 WeakPolarHBondContact O-CB 3.37Å; E450-K454 PolarHBondContact O-N 3.44Å; E450-F500 HydrophobicContact CB-CD2 4.48Å; E450-F500 HydrophobicContact CB-CE2 3.83Å; E450-F500 HydrophobicContact CG-CE2 4.28Å
451	K	93.3	Very high	90.2	Very high	103 Å²	103	70.9 Å²	70.9	45%	0.448	35%	0.345	S	S	.	.	H	α-helix	trans	-59	-42.1	174.3	-73	177.5	-166.3	162.6	0	112.2	H447 E448 L449 K455	H447-K451 WeakPolarHBondContact NE2-CE 3.47Å; H447-K451 PolarHBondContact NE2-NZ 3.48Å; H447-K451 WeakPolarHBondContact O-CG 3.39Å; H447-K451 PolarHBondContact O-N 2.88Å; H447-K451 VanDerWaalsContact O-N 3.13Å; E448-K451 IonicContact OE1-NZ 3.66Å; E448-K451 PolarHBondContact OE1-NZ 3.46Å; L449-K451 PolarHBondContact O-N 3.49Å; K451-K455 WeakPolarHBondContact O-CB 3.43Å; K451-K455 PolarHBondContact O-N 3.39Å
452	R	91.4	Very high	90.7	Very high	154 Å²	154	71.6 Å²	71.6	58%	0.581	34%	0.342	S	S	*	.	H	α-helix	trans	-66.2	-47.4	178.6	-74.4	179.5	-177.3	-153.8	2	111.3	E448 L449 E450 K454 K455 V456	E448-R452 WeakPolarHBondContact O-CG 3.43Å; E448-R452 PolarHBondContact O-N 2.97Å; E448-R452 VanDerWaalsContact O-N 3.13Å; L449-R452 WeakPolarHBondContact O-CB 3.44Å; L449-R452 PolarHBondContact O-N 3.47Å; L449-R452 VanDerWaalsContact O-N 3.14Å; E450-R452 VanDerWaalsContact C-N 3.31Å; E450-R452 PolarHBondContact O-N 2.9Å; R452-K454 VanDerWaalsContact C-N 3.35Å; R452-K454 PolarHBondContact O-N 3.33Å; R452-K455 PolarHBondContact O-N 2.66Å; R452-V456 WeakPolarHBondContact O-CG2 3.49Å; R452-V456 PolarHBondContact O-N 3.41Å
453	I	92.9	Very high	90.8	Very high	18 Å²	18	76.6 Å²	76.6	9%	0.092	36%	0.364	C	S	.	.	H	α-helix	trans	-55.9	-51	176.1	-75	166.9	0	0	0	109.9	L449 E450 K455 V456 E457 P496 Y497 F500	L449-I453 WeakPolarHBondContact O-CB 3.21Å; L449-I453 WeakPolarHBondContact O-CG1 3.23Å; L449-I453 PolarHBondContact O-N 3.5Å; E450-I453 PolarHBondContact O-N 2.87Å; I453-K455 VanDerWaalsContact C-N 3.31Å; I453-K455 PolarHBondContact O-N 2.94Å; I453-V456 WeakPolarHBondContact O-CB 3.47Å; I453-V456 PolarHBondContact O-N 3.33Å; I453-V456 VanDerWaalsContact O-N 3.11Å; I453-E457 HydrophobicContact CG2-CG 4.4Å; I453-E457 WeakPolarHBondContact O-CG 3.5Å; I453-E457 PolarHBondContact O-N 3.26Å; I453-P496 HydrophobicContact CG1-CB 4.12Å; I453-Y497 HydrophobicContact CB-CE1 4.18Å; I453-Y497 HydrophobicContact CD1-CD1 3.94Å; I453-Y497 HydrophobicContact CD1-CE1 4.19Å; I453-Y497 HydrophobicContact CD1-CG 4.39Å; I453-Y497 HydrophobicContact CG1-CD1 4.01Å; I453-Y497 HydrophobicContact CG1-CE1 3.86Å; I453-Y497 HydrophobicContact CG1-CE2 4.4Å; I453-Y497 HydrophobicContact CG1-CG 4.35Å; I453-Y497 HydrophobicContact CG2-CD1 4.22Å; I453-Y497 HydrophobicContact CG2-CE1 3.4Å; I453-F500 HydrophobicContact CD1-CB 3.68Å; I453-F500 HydrophobicContact CD1-CD1 4.3Å; I453-F500 HydrophobicContact CD1-CD2 4.26Å; I453-F500 HydrophobicContact CD1-CG 3.83Å
454	K	93.2	Very high	90.8	Very high	127 Å²	127	76.4 Å²	76.4	55%	0.552	36%	0.364	S	S	*	.	H	α-helix	trans	-58	-44	179.1	-174.4	177.1	178.8	-179.6	0	112.1	E450 R452 E457 E458	E450-K454 WeakPolarHBondContact O-CB 3.37Å; E450-K454 PolarHBondContact O-N 3.44Å; R452-K454 VanDerWaalsContact C-N 3.35Å; R452-K454 PolarHBondContact O-N 3.33Å; K454-E457 PolarHBondContact O-N 2.97Å; K454-E458 WeakPolarHBondContact CE-OE1 3.45Å; K454-E458 WeakPolarHBondContact O-CB 3.28Å; K454-E458 WeakPolarHBondContact O-CG 3.48Å; K454-E458 PolarHBondContact O-N 3.17Å
455	K	92.5	Very high	90.8	Very high	143 Å²	143	70.6 Å²	70.6	62%	0.622	34%	0.337	S	S	*	.	H	α-helix	trans	-62.7	-42.4	176.7	-173.9	-179.4	178.9	-175.4	0	111.9	K451 R452 I453 E458 T459	K451-K455 WeakPolarHBondContact O-CB 3.43Å; K451-K455 PolarHBondContact O-N 3.39Å; R452-K455 PolarHBondContact O-N 2.66Å; I453-K455 VanDerWaalsContact C-N 3.31Å; I453-K455 PolarHBondContact O-N 2.94Å; K455-E458 PolarHBondContact O-N 3.41Å; K455-T459 PolarHBondContact O-N 2.99Å; K455-T459 PolarHBondContact O-OG1 3Å
456	V	90.9	Very high	90.6	Very high	26 Å²	26	72.1 Å²	72.1	16%	0.158	34%	0.341	C	S	.	.	H	α-helix	trans	-62.5	-46.5	176.1	170	0	0	0	0	110.1	R452 I453 E458 T459 C460 E493	R452-V456 WeakPolarHBondContact O-CG2 3.49Å; R452-V456 PolarHBondContact O-N 3.41Å; I453-V456 WeakPolarHBondContact O-CB 3.47Å; I453-V456 PolarHBondContact O-N 3.33Å; I453-V456 VanDerWaalsContact O-N 3.11Å; V456-E458 VanDerWaalsContact C-N 3.34Å; V456-E458 PolarHBondContact O-N 3.24Å; V456-T459 PolarHBondContact O-N 3.48Å; V456-C460 WeakPolarHBondContact O-CB 3.22Å; V456-C460 PolarHBondContact O-N 3.24Å; V456-C460 PolarHBondContact O-SG 2.79Å; V456-E493 HydrophobicContact CG1-CB 4.1Å; V456-E493 HydrophobicContact CG1-CG 4Å; V456-E493 HydrophobicContact CG2-CB 4.24Å; V456-E493 HydrophobicContact CG2-CG 3.79Å
457	E	91.7	Very high	90.2	Very high	62 Å²	62	74 Å²	74	29%	0.29	36%	0.36	S	S	.	.	H	α-helix	trans	-62	-39.6	177.9	-68.4	-168.9	148	0	0	112.9	I453 K454 S461 R490 Y497	I453-E457 HydrophobicContact CG2-CG 4.4Å; I453-E457 WeakPolarHBondContact O-CG 3.5Å; I453-E457 PolarHBondContact O-N 3.26Å; K454-E457 PolarHBondContact O-N 2.97Å; E457-S461 VanDerWaalsContact O-CB 3.32Å; E457-S461 WeakPolarHBondContact O-CB 3.4Å; E457-S461 PolarHBondContact O-N 3.21Å; E457-S461 PolarHBondContact O-OG 3.35Å; E457-R490 IonicContact OE1-CZ 3.32Å; E457-R490 IonicContact OE1-NE 3.66Å; E457-R490 PolarHBondContact OE1-NE 2.9Å; E457-R490 IonicContact OE1-NH2 3.66Å; E457-R490 PolarHBondContact OE1-NH2 3.09Å; E457-Y497 VanDerWaalsContact CG-OH 3.31Å; E457-Y497 WeakPolarHBondContact CG-OH 3.38Å
458	E	92.1	Very high	89.6	Confident	97 Å²	97	71.4 Å²	71.4	45%	0.453	35%	0.349	S	S	.	.	H	α-helix	trans	-62.3	-47.8	173.2	-75.1	172.7	-175.1	0	0	111.2	K454 K455 V456 S461 T462	K454-E458 WeakPolarHBondContact CE-OE1 3.45Å; K454-E458 WeakPolarHBondContact O-CB 3.28Å; K454-E458 WeakPolarHBondContact O-CG 3.48Å; K454-E458 PolarHBondContact O-N 3.17Å; K455-E458 PolarHBondContact O-N 3.41Å; V456-E458 VanDerWaalsContact C-N 3.34Å; V456-E458 PolarHBondContact O-N 3.24Å; E458-S461 PolarHBondContact O-N 3.47Å; E458-S461 PolarHBondContact O-OG 3.32Å; E458-S461 VanDerWaalsContact O-OG 3.08Å; E458-T462 VanDerWaalsContact O-CB 3.32Å; E458-T462 WeakPolarHBondContact O-CB 3.09Å; E458-T462 WeakPolarHBondContact O-CG2 3.5Å; E458-T462 PolarHBondContact O-N 3.16Å; E458-T462 PolarHBondContact O-OG1 3.4Å
459	T	90.6	Very high	88.9	Confident	52 Å²	52	72.1 Å²	72.1	32%	0.319	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-45.8	176.2	-62.6	0	0	0	0	111.8	K455 V456 S461 T462 E463	K455-T459 PolarHBondContact O-N 2.99Å; K455-T459 PolarHBondContact O-OG1 3Å; V456-T459 PolarHBondContact O-N 3.48Å; T459-S461 VanDerWaalsContact C-N 3.33Å; T459-S461 PolarHBondContact O-N 3.32Å; T459-T462 PolarHBondContact O-N 3.12Å; T459-E463 WeakPolarHBondContact O-CB 3.3Å; T459-E463 PolarHBondContact O-N 2.84Å
460	C	90.5	Very high	88.1	Confident	2 Å²	2	78.3 Å²	78.3	1%	0.014	38%	0.384	C	S	.	.	I	π-helix	trans	-58.4	-44.5	177.8	-65.7	0	0	0	0	111.7	V456 D464 C465 M486 C489	V456-C460 WeakPolarHBondContact O-CB 3.22Å; V456-C460 PolarHBondContact O-N 3.24Å; V456-C460 PolarHBondContact O-SG 2.79Å; C460-D464 PolarHBondContact O-N 3.09Å; C460-C465 VanDerWaalsContact O-CB 3.3Å; C460-C465 WeakPolarHBondContact O-CB 3.33Å; C460-C465 PolarHBondContact O-N 3.17Å; C460-M486 HydrophobicContact CB-CE 3.97Å; C460-M486 HydrophobicContact CB-SD 3.71Å; C460-C489 VanDerWaalsContact CA-SG 3.55Å; C460-C489 HydrophobicContact CB-CB 3.69Å; C460-C489 WeakPolarHBondContact CB-SG 3.33Å; C460-C489 WeakPolarHBondContact SG-CB 3.35Å; C460-C489 CovalentContact SG-SG 2.01Å; C460-C489 PolarHBondContact SG-SG 2.96Å
461	S	89.1	Confident	86.9	Confident	30 Å²	30	78.2 Å²	78.2	21%	0.21	38%	0.383	C	S	.	.	I	π-helix	trans	-76.3	-36.3	-177.8	57.3	0	0	0	0	113.6	E457 E458 T459 Y482	E457-S461 VanDerWaalsContact O-CB 3.32Å; E457-S461 WeakPolarHBondContact O-CB 3.4Å; E457-S461 PolarHBondContact O-N 3.21Å; E457-S461 PolarHBondContact O-OG 3.35Å; E458-S461 PolarHBondContact O-N 3.47Å; E458-S461 PolarHBondContact O-OG 3.32Å; E458-S461 VanDerWaalsContact O-OG 3.08Å; T459-S461 VanDerWaalsContact C-N 3.33Å; T459-S461 PolarHBondContact O-N 3.32Å; S461-Y482 WeakPolarHBondContact CB-OH 3.17Å
462	T	89.1	Confident	85.4	Confident	82 Å²	82	79.7 Å²	79.7	50%	0.503	40%	0.403	S	S	.	.	I	π-helix	trans	-92.2	-19.7	-174.3	60.5	0	0	0	0	114.6	E458 T459 K466	E458-T462 VanDerWaalsContact O-CB 3.32Å; E458-T462 WeakPolarHBondContact O-CB 3.09Å; E458-T462 WeakPolarHBondContact O-CG2 3.5Å; E458-T462 PolarHBondContact O-N 3.16Å; E458-T462 PolarHBondContact O-OG1 3.4Å; T459-T462 PolarHBondContact O-N 3.12Å; T462-K466 WeakPolarHBondContact O-CB 3.47Å; T462-K466 WeakPolarHBondContact O-CD 3.28Å
463	E	88.3	Confident	83.7	Confident	135 Å²	135	76.3 Å²	76.3	63%	0.631	40%	0.4	S	S	*	.	I	π-helix	trans	-117.7	-70.3	-179.4	-59.7	-178.3	-175.7	0	0	110.6	T459 K466	T459-E463 WeakPolarHBondContact O-CB 3.3Å; T459-E463 PolarHBondContact O-N 2.84Å; E463-K466 PolarHBondContact O-N 3.07Å
464	D	85.4	Confident	82.3	Confident	89 Å²	89	83.7 Å²	83.7	48%	0.476	43%	0.434	S	S	.	.	I	π-helix	trans	-65.7	-46.1	-168.5	-76.1	-10	0	0	0	113.2	C460 C489	C460-D464 PolarHBondContact O-N 3.09Å; D464-C489 PolarHBondContact OD2-SG 3.38Å
465	C	87.9	Confident	80.9	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	4.3	-176.6	-55.8	0	0	0	0	113.3	C460 A467 L468 Y482 C485 M486	C460-C465 VanDerWaalsContact O-CB 3.3Å; C460-C465 WeakPolarHBondContact O-CB 3.33Å; C460-C465 PolarHBondContact O-N 3.17Å; C465-A467 VanDerWaalsContact C-N 3.33Å; C465-A467 PolarHBondContact O-N 3.44Å; C465-L468 WeakPolarHBondContact O-CB 3.19Å; C465-L468 PolarHBondContact O-N 2.83Å; C465-Y482 HydrophobicContact CB-CD2 4.04Å; C465-Y482 HydrophobicContact CB-CE2 3.83Å; C465-C485 WeakPolarHBondContact CA-SG 3.49Å; C465-C485 HydrophobicContact CB-CB 3.98Å; C465-C485 WeakPolarHBondContact CB-SG 3.18Å; C465-C485 WeakPolarHBondContact SG-CB 3.45Å; C465-C485 CovalentContact SG-SG 2.04Å; C465-C485 PolarHBondContact SG-SG 2.96Å; C465-M486 HydrophobicContact CB-SD 4.43Å
466	K	85.2	Confident	79.9	Confident	98 Å²	98	81.3 Å²	81.3	43%	0.426	44%	0.441	S	S	.	.	H	α-helix	trans	-59.8	-40	-175.8	177.8	177.2	168.2	-176.2	0	113.1	T462 E463 L468 L469 E470	T462-K466 WeakPolarHBondContact O-CB 3.47Å; T462-K466 WeakPolarHBondContact O-CD 3.28Å; E463-K466 PolarHBondContact O-N 3.07Å; K466-L468 PolarHBondContact O-N 3.12Å; K466-L469 WeakPolarHBondContact O-CA 3.04Å; K466-L469 WeakPolarHBondContact O-CB 3.39Å; K466-L469 PolarHBondContact O-N 3.46Å; K466-E470 WeakPolarHBondContact CE-OE1 3.37Å; K466-E470 IonicContact NZ-OE1 3.93Å; K466-E470 PolarHBondContact O-N 3.3Å
467	A	81.3	Confident	79.2	Confident	60 Å²	60	84.3 Å²	84.3	50%	0.496	46%	0.459	S	S	.	.	H	α-helix	trans	-57.4	-35.7	-179.3	0	0	0	0	0	112.1	C465 L469 E470 E471	C465-A467 VanDerWaalsContact C-N 3.33Å; C465-A467 PolarHBondContact O-N 3.44Å; A467-L469 PolarHBondContact O-N 3.2Å; A467-E470 PolarHBondContact O-N 2.73Å; A467-E470 VanDerWaalsContact O-N 3.16Å; A467-E471 PolarHBondContact O-N 3.06Å
468	L	79.3	Confident	78.4	Confident	45 Å²	45	84.8 Å²	84.8	24%	0.236	46%	0.458	C	S	.	.	H	α-helix	trans	-70.7	-17.6	177.9	-59.9	173.5	0	0	0	112.9	C465 K466 R478 Y482 C485	C465-L468 WeakPolarHBondContact O-CB 3.19Å; C465-L468 PolarHBondContact O-N 2.83Å; K466-L468 PolarHBondContact O-N 3.12Å; L468-R478 PolarHBondContact O-NE 2.82Å; L468-Y482 HydrophobicContact CB-CD2 4.48Å; L468-C485 HydrophobicContact CD1-CB 3.59Å
469	L	76	Confident	77.9	Confident	80 Å²	80	84.1 Å²	84.1	42%	0.419	46%	0.461	S	S	.	.	H	α-helix	trans	-87.4	-16.7	173.5	-68	174.6	0	0	0	113.3	K466 A467 R478 Y482	K466-L469 WeakPolarHBondContact O-CA 3.04Å; K466-L469 WeakPolarHBondContact O-CB 3.39Å; K466-L469 PolarHBondContact O-N 3.46Å; A467-L469 PolarHBondContact O-N 3.2Å; L469-R478 VanDerWaalsContact O-CZ 3.31Å; L469-R478 PolarHBondContact O-NH2 3.24Å; L469-Y482 HydrophobicContact CD1-CD2 4.46Å; L469-Y482 HydrophobicContact CD1-CE2 3.74Å; L469-Y482 HydrophobicContact CD2-CD2 3.93Å; L469-Y482 HydrophobicContact CD2-CE2 3.91Å; L469-Y482 HydrophobicContact CG-CD2 3.92Å; L469-Y482 HydrophobicContact CG-CE2 3.7Å
470	E	77.6	Confident	77.7	Confident	136 Å²	136	88.2 Å²	88.2	64%	0.636	48%	0.477	S	S	*	.	H	α-helix	trans	-98.6	-17.3	-178.8	-67.3	-177.5	173.2	0	0	112.9	K466 A467	K466-E470 WeakPolarHBondContact CE-OE1 3.37Å; K466-E470 IonicContact NZ-OE1 3.93Å; K466-E470 PolarHBondContact O-N 3.3Å; A467-E470 PolarHBondContact O-N 2.73Å; A467-E470 VanDerWaalsContact O-N 3.16Å
471	E	66.4	Low	77.4	Confident	104 Å²	104	91.4 Å²	91.4	49%	0.486	50%	0.496	S	S	.	.	S	Bend	trans	-75	136.8	-178.8	-74.9	-172.8	-178.2	0	0	114.1	A467 T473 R478	A467-E471 PolarHBondContact O-N 3.06Å; E471-T473 VanDerWaalsContact C-N 3.28Å; E471-T473 PolarHBondContact O-N 2.86Å; E471-T473 VanDerWaalsContact O-N 3.13Å; E471-R478 PolarHBondContact O-NH1 2.94Å
472	P	61.3	Low	77.3	Confident	134 Å²	134	92.3 Å²	92.3	87%	0.87	50%	0.495	S	S	*	.			trans	-82.2	29.2	-174.5	32.5	-35.7	0	0	0	115.7
473	T	56.7	Low	77.4	Confident	82 Å²	82	92.7 Å²	92.7	50%	0.503	49%	0.494	S	S	.	.			trans	-84.8	148.6	-178.4	30	0	0	0	0	113.9	E471	E471-T473 VanDerWaalsContact C-N 3.28Å; E471-T473 PolarHBondContact O-N 2.86Å; E471-T473 VanDerWaalsContact O-N 3.13Å
474	E	62.7	Low	77.5	Confident	173 Å²	173	90.5 Å²	90.5	81%	0.808	48%	0.484	S	S	*	.			trans	-59.3	144.6	-174.5	-75.6	-179.1	161.7	0	0	113.8	E476 T477	E474-E476 PolarHBondContact O-N 2.94Å; E474-T477 PolarHBondContact O-OG1 2.8Å
475	G	64.2	Low	77.8	Confident	52 Å²	52	87.6 Å²	87.6	54%	0.536	47%	0.47	S	S	.	.	H	α-helix	trans	-64.9	-38.4	-148.1	0	0	0	0	0	118.5	R478 T479	G475-R478 PolarHBondContact O-N 3.32Å; G475-T479 PolarHBondContact O-N 3.44Å; G475-T479 PolarHBondContact O-OG1 3.19Å
476	E	71.5	Confident	78	Confident	169 Å²	169	88.2 Å²	88.2	79%	0.79	47%	0.474	S	S	*	.	H	α-helix	trans	-68.9	-43	-175.5	-87.7	-176.7	162.8	0	0	112.7	E474 R478 T479 Q480	E474-E476 PolarHBondContact O-N 2.94Å; E476-R478 PolarHBondContact O-N 3.15Å; E476-T479 PolarHBondContact O-N 3.19Å; E476-Q480 PolarHBondContact O-N 3.17Å
477	T	75.3	Confident	78.3	Confident	89 Å²	89	88.6 Å²	88.6	55%	0.546	48%	0.475	S	S	.	.	H	α-helix	trans	-64.8	-31.8	177	35	0	0	0	0	112.2	E474 T481	E474-T477 PolarHBondContact O-OG1 2.8Å; T477-T481 WeakPolarHBondContact O-CG2 3.34Å; T477-T481 PolarHBondContact O-N 2.96Å; T477-T481 VanDerWaalsContact O-N 3.15Å; T477-T481 PolarHBondContact O-OG1 2.87Å; T477-T481 VanDerWaalsContact O-OG1 3.09Å
478	R	75.9	Confident	78.8	Confident	72 Å²	72	90.8 Å²	90.8	27%	0.272	48%	0.475	S	S	.	.	H	α-helix	trans	-72.8	-41	-179.3	-179.3	173.3	161.4	-176.7	-18.7	112.7	L468 L469 E471 G475 E476 Q480 T481 Y482	L468-R478 PolarHBondContact O-NE 2.82Å; L469-R478 VanDerWaalsContact O-CZ 3.31Å; L469-R478 PolarHBondContact O-NH2 3.24Å; E471-R478 PolarHBondContact O-NH1 2.94Å; G475-R478 PolarHBondContact O-N 3.32Å; E476-R478 PolarHBondContact O-N 3.15Å; R478-Q480 VanDerWaalsContact C-N 3.34Å; R478-T481 WeakPolarHBondContact CA-OG1 3.42Å; R478-T481 PolarHBondContact O-N 3.35Å; R478-T481 PolarHBondContact O-OG1 3.05Å; R478-T481 VanDerWaalsContact O-OG1 3.05Å; R478-Y482 WeakPolarHBondContact O-CB 3.5Å; R478-Y482 PolarHBondContact O-N 2.99Å
479	T	82.3	Confident	79.3	Confident	83 Å²	83	89.2 Å²	89.2	51%	0.509	47%	0.468	S	S	.	.	H	α-helix	trans	-63.8	-43.1	176.3	-53.5	0	0	0	0	110.8	G475 E476 T481 Y482 D483	G475-T479 PolarHBondContact O-N 3.44Å; G475-T479 PolarHBondContact O-OG1 3.19Å; E476-T479 PolarHBondContact O-N 3.19Å; T479-T481 PolarHBondContact O-N 3.26Å; T479-Y482 PolarHBondContact O-N 3.13Å; T479-D483 WeakPolarHBondContact O-CB 3.08Å; T479-D483 PolarHBondContact O-N 2.72Å
480	Q	84.8	Confident	79.9	Confident	138 Å²	138	90 Å²	90	65%	0.645	47%	0.465	S	S	*	.	H	α-helix	trans	-62.8	-42.4	178	-69.5	177.9	2.8	0	0	112.9	E476 R478 E484	E476-Q480 PolarHBondContact O-N 3.17Å; R478-Q480 VanDerWaalsContact C-N 3.34Å; Q480-E484 WeakPolarHBondContact O-CB 3.39Å; Q480-E484 PolarHBondContact O-N 2.96Å
481	T	85.3	Confident	80.5	Confident	69 Å²	69	88.5 Å²	88.5	42%	0.423	46%	0.458	S	S	.	.	H	α-helix	trans	-70.1	-36.7	178.1	49.8	0	0	0	0	112.5	T477 R478 T479 C485	T477-T481 WeakPolarHBondContact O-CG2 3.34Å; T477-T481 PolarHBondContact O-N 2.96Å; T477-T481 VanDerWaalsContact O-N 3.15Å; T477-T481 PolarHBondContact O-OG1 2.87Å; T477-T481 VanDerWaalsContact O-OG1 3.09Å; R478-T481 WeakPolarHBondContact CA-OG1 3.42Å; R478-T481 PolarHBondContact O-N 3.35Å; R478-T481 PolarHBondContact O-OG1 3.05Å; R478-T481 VanDerWaalsContact O-OG1 3.05Å; T479-T481 PolarHBondContact O-N 3.26Å; T481-C485 WeakPolarHBondContact O-CB 3.04Å; T481-C485 PolarHBondContact O-N 3.3Å
482	Y	87.8	Confident	81.5	Confident	48 Å²	48	91 Å²	91	19%	0.188	47%	0.467	C	S	.	.	H	α-helix	trans	-64.9	-45.3	173.5	-179.8	-95.2	0	0	0	111.9	S461 C465 L468 L469 R478 T479 E484 C485 M486	S461-Y482 WeakPolarHBondContact CB-OH 3.17Å; C465-Y482 HydrophobicContact CB-CD2 4.04Å; C465-Y482 HydrophobicContact CB-CE2 3.83Å; L468-Y482 HydrophobicContact CB-CD2 4.48Å; L469-Y482 HydrophobicContact CD1-CD2 4.46Å; L469-Y482 HydrophobicContact CD1-CE2 3.74Å; L469-Y482 HydrophobicContact CD2-CD2 3.93Å; L469-Y482 HydrophobicContact CD2-CE2 3.91Å; L469-Y482 HydrophobicContact CG-CD2 3.92Å; L469-Y482 HydrophobicContact CG-CE2 3.7Å; R478-Y482 WeakPolarHBondContact O-CB 3.5Å; R478-Y482 PolarHBondContact O-N 2.99Å; T479-Y482 PolarHBondContact O-N 3.13Å; Y482-E484 VanDerWaalsContact C-N 3.33Å; Y482-E484 PolarHBondContact O-N 3.46Å; Y482-C485 WeakPolarHBondContact O-CB 2.8Å; Y482-C485 PolarHBondContact O-N 2.95Å; Y482-M486 HydrophobicContact CD1-CG 4.03Å; Y482-M486 HydrophobicContact CE1-CG 3.55Å; Y482-M486 HydrophobicContact CE1-SD 4.37Å; Y482-M486 HydrophobicContact CE2-CG 4.26Å; Y482-M486 HydrophobicContact CE2-SD 4.47Å; Y482-M486 WeakPolarHBondContact O-CG 3.49Å; Y482-M486 PolarHBondContact O-N 3.1Å
483	D	89.2	Confident	82.7	Confident	91 Å²	91	89 Å²	89	49%	0.487	45%	0.446	S	S	.	.	H	α-helix	trans	-62.7	-40.6	178.1	-71.6	-19.5	0	0	0	111.5	T479 M486 K487	T479-D483 WeakPolarHBondContact O-CB 3.08Å; T479-D483 PolarHBondContact O-N 2.72Å; D483-M486 PolarHBondContact O-N 3.16Å; D483-K487 VanDerWaalsContact O-CB 3.3Å; D483-K487 WeakPolarHBondContact O-CB 3.31Å; D483-K487 PolarHBondContact O-N 3.32Å
484	E	91.5	Very high	84.2	Confident	88 Å²	88	88.9 Å²	88.9	41%	0.411	44%	0.44	S	S	.	.	H	α-helix	trans	-65.7	-39.6	174.9	-172.8	60.7	-154.2	0	0	111.7	Q480 Y482 K487 Q488	Q480-E484 WeakPolarHBondContact O-CB 3.39Å; Q480-E484 PolarHBondContact O-N 2.96Å; Y482-E484 VanDerWaalsContact C-N 3.33Å; Y482-E484 PolarHBondContact O-N 3.46Å; E484-K487 PolarHBondContact O-N 2.77Å; E484-Q488 WeakPolarHBondContact O-CG 3.18Å; E484-Q488 PolarHBondContact O-N 2.89Å; E484-Q488 PolarHBondContact OE1-NE2 3.5Å
485	C	91.5	Very high	85.4	Confident	28 Å²	28	88.3 Å²	88.3	19%	0.189	43%	0.432	C	S	.	.	H	α-helix	trans	-62.3	-47.5	173.6	-178.8	0	0	0	0	111.9	C465 L468 T481 Y482 K487 Q488 C489	C465-C485 WeakPolarHBondContact CA-SG 3.49Å; C465-C485 HydrophobicContact CB-CB 3.98Å; C465-C485 WeakPolarHBondContact CB-SG 3.18Å; C465-C485 WeakPolarHBondContact SG-CB 3.45Å; C465-C485 CovalentContact SG-SG 2.04Å; C465-C485 PolarHBondContact SG-SG 2.96Å; L468-C485 HydrophobicContact CD1-CB 3.59Å; T481-C485 WeakPolarHBondContact O-CB 3.04Å; T481-C485 PolarHBondContact O-N 3.3Å; Y482-C485 WeakPolarHBondContact O-CB 2.8Å; Y482-C485 PolarHBondContact O-N 2.95Å; C485-K487 VanDerWaalsContact C-N 3.29Å; C485-K487 PolarHBondContact O-N 2.89Å; C485-Q488 PolarHBondContact O-N 3.12Å; C485-C489 WeakPolarHBondContact O-CB 3.5Å; C485-C489 PolarHBondContact O-N 3.19Å
486	M	91.8	Very high	86.6	Confident	14 Å²	14	86.2 Å²	86.2	7%	0.069	41%	0.408	C	S	.	.	H	α-helix	trans	-61.1	-40	176.9	-74.2	-63	-65.2	0	0	111.3	C460 C465 Y482 D483 C489 R490	C460-M486 HydrophobicContact CB-CE 3.97Å; C460-M486 HydrophobicContact CB-SD 3.71Å; C465-M486 HydrophobicContact CB-SD 4.43Å; Y482-M486 HydrophobicContact CD1-CG 4.03Å; Y482-M486 HydrophobicContact CE1-CG 3.55Å; Y482-M486 HydrophobicContact CE1-SD 4.37Å; Y482-M486 HydrophobicContact CE2-CG 4.26Å; Y482-M486 HydrophobicContact CE2-SD 4.47Å; Y482-M486 WeakPolarHBondContact O-CG 3.49Å; Y482-M486 PolarHBondContact O-N 3.1Å; D483-M486 PolarHBondContact O-N 3.16Å; M486-C489 PolarHBondContact O-N 3.2Å; M486-R490 WeakPolarHBondContact O-CB 3.48Å; M486-R490 VanDerWaalsContact O-CG 3.26Å; M486-R490 WeakPolarHBondContact O-CG 3.47Å; M486-R490 PolarHBondContact O-N 2.76Å
487	K	92	Very high	87.4	Confident	106 Å²	106	80 Å²	80	46%	0.461	38%	0.378	S	S	.	.	H	α-helix	trans	-61.7	-49.4	175.4	-176.2	-174.2	169.6	-157	0	111.7	D483 E484 C485 C489 R490 E491	D483-K487 VanDerWaalsContact O-CB 3.3Å; D483-K487 WeakPolarHBondContact O-CB 3.31Å; D483-K487 PolarHBondContact O-N 3.32Å; E484-K487 PolarHBondContact O-N 2.77Å; C485-K487 VanDerWaalsContact C-N 3.29Å; C485-K487 PolarHBondContact O-N 2.89Å; K487-C489 PolarHBondContact O-N 3.31Å; K487-R490 PolarHBondContact O-N 2.79Å; K487-R490 VanDerWaalsContact O-N 3.17Å; K487-E491 VanDerWaalsContact CE-OE1 3.29Å; K487-E491 WeakPolarHBondContact CE-OE1 3.45Å; K487-E491 WeakPolarHBondContact O-CG 3.49Å; K487-E491 PolarHBondContact O-N 3.46Å
488	Q	91.5	Very high	88.1	Confident	106 Å²	106	79.5 Å²	79.5	50%	0.495	37%	0.372	S	S	.	.	H	α-helix	trans	-61.9	-34.1	176.8	-71.9	178.8	13.2	0	0	112.5	E484 C485	E484-Q488 WeakPolarHBondContact O-CG 3.18Å; E484-Q488 PolarHBondContact O-N 2.89Å; E484-Q488 PolarHBondContact OE1-NE2 3.5Å; C485-Q488 PolarHBondContact O-N 3.12Å
489	C	89.4	Confident	88.8	Confident	11 Å²	11	78.5 Å²	78.5	7%	0.074	37%	0.37	C	S	.	.	H	α-helix	trans	-68.6	-43.1	175.2	-164.5	0	0	0	0	111.6	C460 D464 C485 M486 K487 E491 K492	C460-C489 VanDerWaalsContact CA-SG 3.55Å; C460-C489 HydrophobicContact CB-CB 3.69Å; C460-C489 WeakPolarHBondContact CB-SG 3.33Å; C460-C489 WeakPolarHBondContact SG-CB 3.35Å; C460-C489 CovalentContact SG-SG 2.01Å; C460-C489 PolarHBondContact SG-SG 2.96Å; D464-C489 PolarHBondContact OD2-SG 3.38Å; C485-C489 WeakPolarHBondContact O-CB 3.5Å; C485-C489 PolarHBondContact O-N 3.19Å; M486-C489 PolarHBondContact O-N 3.2Å; K487-C489 PolarHBondContact O-N 3.31Å; C489-E491 PolarHBondContact O-N 2.94Å; C489-K492 PolarHBondContact O-N 3.16Å
490	R	89.1	Confident	89.2	Confident	98 Å²	98	76.8 Å²	76.8	37%	0.37	36%	0.355	S	S	.	.	H	α-helix	trans	-63.5	-38.2	174.4	-71.5	176.2	177.5	162.6	-1.1	112.8	E457 M486 K487 K492 E493 Q494 Y497	E457-R490 IonicContact OE1-CZ 3.32Å; E457-R490 IonicContact OE1-NE 3.66Å; E457-R490 PolarHBondContact OE1-NE 2.9Å; E457-R490 IonicContact OE1-NH2 3.66Å; E457-R490 PolarHBondContact OE1-NH2 3.09Å; M486-R490 WeakPolarHBondContact O-CB 3.48Å; M486-R490 VanDerWaalsContact O-CG 3.26Å; M486-R490 WeakPolarHBondContact O-CG 3.47Å; M486-R490 PolarHBondContact O-N 2.76Å; K487-R490 PolarHBondContact O-N 2.79Å; K487-R490 VanDerWaalsContact O-N 3.17Å; R490-K492 PolarHBondContact O-N 3.41Å; R490-E493 CarbonylContact O-C 3.17Å; R490-E493 WeakPolarHBondContact O-CA 3.43Å; R490-E493 PolarHBondContact O-N 3.4Å; R490-Q494 PolarHBondContact O-N 2.98Å; R490-Y497 HydrophobicContact CB-CD2 4.47Å; R490-Y497 HydrophobicContact CB-CE2 3.98Å; R490-Y497 HydrophobicContact CG-CE1 4.45Å; R490-Y497 HydrophobicContact CG-CE2 3.94Å
491	E	89.4	Confident	89.5	Confident	103 Å²	103	74.9 Å²	74.9	48%	0.481	35%	0.346	S	S	.	.	H	α-helix	trans	-60	-27.9	178.6	-78.6	175.4	-177	0	0	112.7	K487 C489 E493	K487-E491 VanDerWaalsContact CE-OE1 3.29Å; K487-E491 WeakPolarHBondContact CE-OE1 3.45Å; K487-E491 WeakPolarHBondContact O-CG 3.49Å; K487-E491 PolarHBondContact O-N 3.46Å; C489-E491 PolarHBondContact O-N 2.94Å; E491-E493 VanDerWaalsContact C-N 3.27Å; E491-E493 PolarHBondContact O-N 3.49Å
492	K	87.2	Confident	89.6	Confident	156 Å²	156	76.4 Å²	76.4	68%	0.678	35%	0.349	S	S	*	.	H	α-helix	trans	-68.8	-27.4	173.6	-64.3	175.5	-172.3	167.5	0	112.7	C489 R490	C489-K492 PolarHBondContact O-N 3.16Å; R490-K492 PolarHBondContact O-N 3.41Å
493	E	87	Confident	89.7	Confident	92 Å²	92	74.6 Å²	74.6	43%	0.43	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	36.8	-178.8	-69.8	-72.8	172.6	0	0	110.3	V456 R490 E491 Y495 P496 Y497	V456-E493 HydrophobicContact CG1-CB 4.1Å; V456-E493 HydrophobicContact CG1-CG 4Å; V456-E493 HydrophobicContact CG2-CB 4.24Å; V456-E493 HydrophobicContact CG2-CG 3.79Å; R490-E493 CarbonylContact O-C 3.17Å; R490-E493 WeakPolarHBondContact O-CA 3.43Å; R490-E493 PolarHBondContact O-N 3.4Å; E491-E493 VanDerWaalsContact C-N 3.27Å; E491-E493 PolarHBondContact O-N 3.49Å; E493-Y495 VanDerWaalsContact C-N 3.28Å; E493-Y495 PolarHBondContact O-N 3.24Å; E493-P496 WeakPolarHBondContact O-CD 3.49Å; E493-Y497 HydrophobicContact CB-CE2 4.43Å; E493-Y497 WeakPolarHBondContact O-CD2 3.37Å
494	Q	88.7	Confident	89.8	Confident	80 Å²	80	73 Å²	73	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-60.1	-36	-173.7	-170	64.7	26.9	0	0	113	R490 Y497 D498	R490-Q494 PolarHBondContact O-N 2.98Å; Q494-Y497 PolarHBondContact O-N 3.28Å; Q494-Y497 VanDerWaalsContact O-N 3.14Å; Q494-D498 WeakPolarHBondContact CG-OD2 3.48Å; Q494-D498 PolarHBondContact NE2-OD1 3.43Å; Q494-D498 PolarHBondContact O-N 2.87Å
495	Y	88.5	Confident	89.8	Confident	162 Å²	162	73.6 Å²	73.6	64%	0.635	33%	0.333	S	S	*	.	H	α-helix	trans	-58.6	-50.4	-176.2	172.3	-93.8	0	0	0	113.5	E493 Y497 D498 K499	E493-Y495 VanDerWaalsContact C-N 3.28Å; E493-Y495 PolarHBondContact O-N 3.24Å; Y495-Y497 VanDerWaalsContact C-N 3.3Å; Y495-Y497 PolarHBondContact O-N 3.09Å; Y495-D498 PolarHBondContact O-N 2.66Å; Y495-K499 WeakPolarHBondContact O-CB 3.35Å; Y495-K499 PolarHBondContact O-N 3.45Å
496	P	88.5	Confident	89.8	Confident	7 Å²	7	73.6 Å²	73.6	5%	0.045	33%	0.33	C	S	.	.	H	α-helix	trans	-52.9	-42.6	172.3	-29.4	30.9	0	0	0	114.8	L449 I453 E493 F500	L449-P496 HydrophobicContact CD2-CB 4.04Å; I453-P496 HydrophobicContact CG1-CB 4.12Å; E493-P496 WeakPolarHBondContact O-CD 3.49Å; P496-F500 WeakPolarHBondContact O-CB 3.34Å; P496-F500 PolarHBondContact O-N 3.41Å
497	Y	89.7	Confident	89.8	Confident	40 Å²	40	77.6 Å²	77.6	16%	0.157	35%	0.347	C	S	.	.	H	α-helix	trans	-67.3	-48.7	179.5	-70.5	-80.9	0	0	0	111.6	I453 E457 R490 E493 Q494 Y495 K499 F500 E501	I453-Y497 HydrophobicContact CB-CE1 4.18Å; I453-Y497 HydrophobicContact CD1-CD1 3.94Å; I453-Y497 HydrophobicContact CD1-CE1 4.19Å; I453-Y497 HydrophobicContact CD1-CG 4.39Å; I453-Y497 HydrophobicContact CG1-CD1 4.01Å; I453-Y497 HydrophobicContact CG1-CE1 3.86Å; I453-Y497 HydrophobicContact CG1-CE2 4.4Å; I453-Y497 HydrophobicContact CG1-CG 4.35Å; I453-Y497 HydrophobicContact CG2-CD1 4.22Å; I453-Y497 HydrophobicContact CG2-CE1 3.4Å; E457-Y497 VanDerWaalsContact CG-OH 3.31Å; E457-Y497 WeakPolarHBondContact CG-OH 3.38Å; R490-Y497 HydrophobicContact CB-CD2 4.47Å; R490-Y497 HydrophobicContact CB-CE2 3.98Å; R490-Y497 HydrophobicContact CG-CE1 4.45Å; R490-Y497 HydrophobicContact CG-CE2 3.94Å; E493-Y497 HydrophobicContact CB-CE2 4.43Å; E493-Y497 WeakPolarHBondContact O-CD2 3.37Å; Q494-Y497 PolarHBondContact O-N 3.28Å; Q494-Y497 VanDerWaalsContact O-N 3.14Å; Y495-Y497 VanDerWaalsContact C-N 3.3Å; Y495-Y497 PolarHBondContact O-N 3.09Å; Y497-K499 VanDerWaalsContact C-N 3.3Å; Y497-K499 PolarHBondContact O-N 3Å; Y497-F500 PolarHBondContact O-N 2.93Å; Y497-E501 WeakPolarHBondContact O-CB 3.36Å; Y497-E501 PolarHBondContact O-N 3.38Å
498	D	89.4	Confident	89.8	Confident	78 Å²	78	76.3 Å²	76.3	42%	0.417	35%	0.348	S	S	.	.	H	α-helix	trans	-58.6	-44.8	178.6	-70.1	-11.5	0	0	0	111	Q494 Y495 E501 E502	Q494-D498 WeakPolarHBondContact CG-OD2 3.48Å; Q494-D498 PolarHBondContact NE2-OD1 3.43Å; Q494-D498 PolarHBondContact O-N 2.87Å; Y495-D498 PolarHBondContact O-N 2.66Å; D498-E501 PolarHBondContact O-N 3.2Å; D498-E502 WeakPolarHBondContact O-CB 3.34Å; D498-E502 PolarHBondContact O-N 3.48Å
499	K	89.4	Confident	89.9	Confident	51 Å²	51	73.6 Å²	73.6	22%	0.222	33%	0.333	C	S	.	.	H	α-helix	trans	-70.2	-37	-179.4	-163.9	73	-161.9	164	0	112.2	L445 L449 Y495 Y497 E502 L503	L445-K499 HydrophobicContact CD2-CG 4.41Å; L449-K499 HydrophobicContact CD1-CB 3.78Å; L449-K499 HydrophobicContact CD1-CG 3.75Å; Y495-K499 WeakPolarHBondContact O-CB 3.35Å; Y495-K499 PolarHBondContact O-N 3.45Å; Y497-K499 VanDerWaalsContact C-N 3.3Å; Y497-K499 PolarHBondContact O-N 3Å; K499-E502 WeakPolarHBondContact CD-OE2 3.29Å; K499-E502 IonicContact NZ-OE1 3.83Å; K499-E502 PolarHBondContact NZ-OE1 2.88Å; K499-E502 IonicContact NZ-OE2 2.78Å; K499-E502 PolarHBondContact NZ-OE2 3.35Å; K499-E502 PolarHBondContact O-N 3.15Å; K499-L503 WeakPolarHBondContact O-CG 3.47Å; K499-L503 PolarHBondContact O-N 3.41Å; K499-L503 VanDerWaalsContact O-N 3.16Å
500	F	91.2	Very high	90.1	Very high	47 Å²	47	75.3 Å²	75.3	21%	0.206	34%	0.338	C	S	.	.	H	α-helix	trans	-65.7	-42.6	174.7	-174.9	-92.1	0	0	0	111.1	Q446 L449 E450 I453 P496 Y497 E502 L503 E504	Q446-F500 HydrophobicContact CG-CD2 3.91Å; Q446-F500 HydrophobicContact CG-CE2 3.51Å; Q446-F500 HydrophobicContact CG-CZ 4.36Å; L449-F500 HydrophobicContact CB-CB 4.32Å; L449-F500 HydrophobicContact CB-CD2 4.04Å; L449-F500 HydrophobicContact CD1-CB 4.32Å; E450-F500 HydrophobicContact CB-CD2 4.48Å; E450-F500 HydrophobicContact CB-CE2 3.83Å; E450-F500 HydrophobicContact CG-CE2 4.28Å; I453-F500 HydrophobicContact CD1-CB 3.68Å; I453-F500 HydrophobicContact CD1-CD1 4.3Å; I453-F500 HydrophobicContact CD1-CD2 4.26Å; I453-F500 HydrophobicContact CD1-CG 3.83Å; P496-F500 WeakPolarHBondContact O-CB 3.34Å; P496-F500 PolarHBondContact O-N 3.41Å; Y497-F500 PolarHBondContact O-N 2.93Å; F500-E502 VanDerWaalsContact C-N 3.35Å; F500-E502 PolarHBondContact O-N 3.33Å; F500-L503 PolarHBondContact O-N 3.37Å; F500-E504 HydrophobicContact CD1-CG 4.41Å; F500-E504 HydrophobicContact CE1-CG 3.93Å; F500-E504 HydrophobicContact CZ-CG 4.31Å; F500-E504 PolarHBondContact O-N 3.35Å
501	E	90.8	Very high	90.3	Very high	97 Å²	97	72.4 Å²	72.4	45%	0.453	34%	0.338	S	S	.	.	H	α-helix	trans	-63.8	-39	176.1	-167	-172.5	159.1	0	0	111.9	Y497 D498 L503 E504 K505	Y497-E501 WeakPolarHBondContact O-CB 3.36Å; Y497-E501 PolarHBondContact O-N 3.38Å; D498-E501 PolarHBondContact O-N 3.2Å; E501-L503 PolarHBondContact O-N 3.35Å; E501-E504 PolarHBondContact O-N 3.4Å; E501-K505 HydrophobicContact CG-CD 4.47Å; E501-K505 WeakPolarHBondContact O-CB 3.48Å; E501-K505 WeakPolarHBondContact O-CG 3.4Å; E501-K505 PolarHBondContact O-N 3.47Å; E501-K505 WeakPolarHBondContact OE1-CE 3.41Å; E501-K505 IonicContact OE1-NZ 3.26Å; E501-K505 PolarHBondContact OE1-NZ 3.4Å
502	E	88.8	Confident	90.4	Very high	102 Å²	102	70.7 Å²	70.7	48%	0.477	33%	0.333	S	S	.	.	H	α-helix	trans	-59.2	-44.9	173.9	-169.9	-166.9	142.1	0	0	111.8	D498 K499 F500 K505 K506	D498-E502 WeakPolarHBondContact O-CB 3.34Å; D498-E502 PolarHBondContact O-N 3.48Å; K499-E502 WeakPolarHBondContact CD-OE2 3.29Å; K499-E502 IonicContact NZ-OE1 3.83Å; K499-E502 PolarHBondContact NZ-OE1 2.88Å; K499-E502 IonicContact NZ-OE2 2.78Å; K499-E502 PolarHBondContact NZ-OE2 3.35Å; K499-E502 PolarHBondContact O-N 3.15Å; F500-E502 VanDerWaalsContact C-N 3.35Å; F500-E502 PolarHBondContact O-N 3.33Å; E502-K505 PolarHBondContact O-N 3.18Å; E502-K506 PolarHBondContact O-N 3.15Å
503	L	89.8	Confident	90.7	Very high	9 Å²	9	63.3 Å²	63.3	5%	0.047	30%	0.3	C	S	.	.	H	α-helix	trans	-67.7	-40.1	178.3	-69.4	175.6	0	0	0	112.4	D442 L445 Q446 L449 K499 F500 E501 K506 K507	D442-L503 HydrophobicContact CB-CD2 3.94Å; L445-L503 HydrophobicContact CB-CD1 4.28Å; L445-L503 HydrophobicContact CD2-CD1 4.15Å; L445-L503 HydrophobicContact CG-CD1 4.05Å; Q446-L503 HydrophobicContact CB-CD1 3.97Å; L449-L503 HydrophobicContact CD1-CD1 4.16Å; K499-L503 WeakPolarHBondContact O-CG 3.47Å; K499-L503 PolarHBondContact O-N 3.41Å; K499-L503 VanDerWaalsContact O-N 3.16Å; F500-L503 PolarHBondContact O-N 3.37Å; E501-L503 PolarHBondContact O-N 3.35Å; L503-K506 WeakPolarHBondContact O-CB 3.3Å; L503-K506 PolarHBondContact O-N 2.74Å; L503-K507 PolarHBondContact O-N 3.24Å
504	E	91.1	Very high	90.9	Very high	59 Å²	59	60.2 Å²	60.2	28%	0.276	29%	0.289	S	S	.	.	H	α-helix	trans	-65.4	-41.5	174	-87.7	-64.8	140.4	0	0	111.7	Q446 F500 E501 K506 K507 V508	Q446-E504 PolarHBondContact NE2-OE1 3.24Å; F500-E504 HydrophobicContact CD1-CG 4.41Å; F500-E504 HydrophobicContact CE1-CG 3.93Å; F500-E504 HydrophobicContact CZ-CG 4.31Å; F500-E504 PolarHBondContact O-N 3.35Å; E501-E504 PolarHBondContact O-N 3.4Å; E504-K506 VanDerWaalsContact C-N 3.35Å; E504-K506 PolarHBondContact O-N 3.12Å; E504-K507 WeakPolarHBondContact O-CB 3.37Å; E504-K507 PolarHBondContact O-N 2.92Å; E504-K507 IonicContact OE1-NZ 3.97Å; E504-K507 PolarHBondContact OE1-NZ 3.49Å; E504-V508 WeakPolarHBondContact O-CG2 3.21Å; E504-V508 PolarHBondContact O-N 2.93Å
505	K	91	Very high	90.8	Very high	99 Å²	99	62.3 Å²	62.3	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-58.1	-47	171.9	-78.3	173.2	-176.2	160.9	0	111.2	E501 E502 K507 V508 Y509	E501-K505 HydrophobicContact CG-CD 4.47Å; E501-K505 WeakPolarHBondContact O-CB 3.48Å; E501-K505 WeakPolarHBondContact O-CG 3.4Å; E501-K505 PolarHBondContact O-N 3.47Å; E501-K505 WeakPolarHBondContact OE1-CE 3.41Å; E501-K505 IonicContact OE1-NZ 3.26Å; E501-K505 PolarHBondContact OE1-NZ 3.4Å; E502-K505 PolarHBondContact O-N 3.18Å; K505-K507 VanDerWaalsContact C-N 3.32Å; K505-K507 PolarHBondContact O-N 2.97Å; K505-V508 PolarHBondContact O-N 2.97Å; K505-V508 VanDerWaalsContact O-N 3.17Å; K505-Y509 HydrophobicContact CB-CD2 4.3Å; K505-Y509 HydrophobicContact CB-CE2 4.01Å; K505-Y509 WeakPolarHBondContact O-CD2 3.31Å; K505-Y509 PolarHBondContact O-N 3.12Å
506	K	90.9	Very high	90.7	Very high	29 Å²	29	55.1 Å²	55.1	13%	0.126	27%	0.273	C	S	.	.	H	α-helix	trans	-56.3	-45.1	176.7	-177.7	176.4	-179.1	-175.7	0	111.8	I435 L436 D442 E502 L503 E504 V508 Y509 W510 F536	I435-K506 WeakPolarHBondContact O-CE 3.46Å; I435-K506 PolarHBondContact O-NZ 3.23Å; L436-K506 WeakPolarHBondContact O-CE 3.4Å; L436-K506 VanDerWaalsContact O-CG 3.3Å; L436-K506 WeakPolarHBondContact O-CG 3.39Å; D442-K506 IonicContact OD2-NZ 3.66Å; D442-K506 PolarHBondContact OD2-NZ 3.39Å; E502-K506 PolarHBondContact O-N 3.15Å; L503-K506 WeakPolarHBondContact O-CB 3.3Å; L503-K506 PolarHBondContact O-N 2.74Å; E504-K506 VanDerWaalsContact C-N 3.35Å; E504-K506 PolarHBondContact O-N 3.12Å; K506-V508 PolarHBondContact O-N 3.34Å; K506-Y509 PolarHBondContact O-N 3Å; K506-W510 WeakPolarHBondContact O-CB 3.5Å; K506-W510 PolarHBondContact O-N 3.3Å; K506-F536 HydrophobicContact CB-CE1 4.3Å; K506-F536 HydrophobicContact CB-CZ 4.41Å; K506-F536 HydrophobicContact CD-CE1 4.35Å; K506-F536 HydrophobicContact CG-CE1 3.96Å; K506-F536 HydrophobicContact CG-CZ 4.31Å
507	K	91.6	Very high	90.4	Very high	97 Å²	97	58 Å²	58	42%	0.422	28%	0.283	S	S	.	.	H	α-helix	trans	-61.5	-41.3	176.2	-176.1	-177.3	175.1	-173.1	0	112.7	P438 L503 E504 K505 W510 G511	P438-K507 HydrophobicContact CG-CB 4.3Å; L503-K507 PolarHBondContact O-N 3.24Å; E504-K507 WeakPolarHBondContact O-CB 3.37Å; E504-K507 PolarHBondContact O-N 2.92Å; E504-K507 IonicContact OE1-NZ 3.97Å; E504-K507 PolarHBondContact OE1-NZ 3.49Å; K505-K507 VanDerWaalsContact C-N 3.32Å; K505-K507 PolarHBondContact O-N 2.97Å; K507-W510 PolarHBondContact O-N 3.47Å; K507-G511 PolarHBondContact O-N 2.99Å
508	V	92.2	Very high	89.9	Confident	80 Å²	80	63 Å²	63	49%	0.485	31%	0.305	S	S	.	.	H	α-helix	trans	-65.9	-44.6	175.1	172.9	0	0	0	0	111.4	E504 K505 K506 W510 G511 N512	E504-V508 WeakPolarHBondContact O-CG2 3.21Å; E504-V508 PolarHBondContact O-N 2.93Å; K505-V508 PolarHBondContact O-N 2.97Å; K505-V508 VanDerWaalsContact O-N 3.17Å; K506-V508 PolarHBondContact O-N 3.34Å; V508-W510 VanDerWaalsContact C-N 3.32Å; V508-W510 PolarHBondContact O-N 2.76Å; V508-G511 PolarHBondContact O-N 3.15Å; V508-N512 PolarHBondContact O-N 3.05Å; V508-N512 PolarHBondContact O-ND2 3.39Å
509	Y	94	Very high	89	Confident	48 Å²	48	62.9 Å²	62.9	19%	0.188	31%	0.311	C	S	.	.	H	α-helix	trans	-60.3	-42.2	175.8	-71.9	-56.3	0	0	0	111.8	K505 K506 N512 F513 Y528 I532 H535 F536	K505-Y509 HydrophobicContact CB-CD2 4.3Å; K505-Y509 HydrophobicContact CB-CE2 4.01Å; K505-Y509 WeakPolarHBondContact O-CD2 3.31Å; K505-Y509 PolarHBondContact O-N 3.12Å; K506-Y509 PolarHBondContact O-N 3Å; Y509-N512 PolarHBondContact O-N 2.88Å; Y509-F513 WeakPolarHBondContact O-CB 3.39Å; Y509-F513 PolarHBondContact O-N 2.74Å; Y509-Y528 WeakPolarHBondContact CD1-OH 3.17Å; Y509-I532 HydrophobicContact CD1-CB 4.05Å; Y509-I532 HydrophobicContact CD1-CD1 3.89Å; Y509-I532 HydrophobicContact CD1-CG2 3.7Å; Y509-I532 HydrophobicContact CE1-CB 4.09Å; Y509-I532 HydrophobicContact CE1-CG2 3.62Å; Y509-I532 HydrophobicContact CG-CD1 4.09Å; Y509-H535 AromaticContact CZ-CD2 3.94Å; Y509-H535 PolarHBondContact OH-CD2 3.01Å; Y509-H535 PolarHBondContact OH-NE2 2.92Å; Y509-F536 AromaticContact CD2-CE2 3.67Å; Y509-F536 HydrophobicContact CD2-CE2 3.67Å; Y509-F536 AromaticContact CD2-CZ 3.63Å; Y509-F536 HydrophobicContact CD2-CZ 3.63Å; Y509-F536 HydrophobicContact CE2-CE2 4.23Å; Y509-F536 HydrophobicContact CE2-CZ 4.38Å; Y509-F536 HydrophobicContact CG-CE2 4.03Å; Y509-F536 HydrophobicContact CG-CZ 4.2Å
510	W	94.6	Very high	88.2	Confident	48 Å²	48	66.3 Å²	66.3	18%	0.182	33%	0.326	C	S	.	.	H	α-helix	trans	-62.1	-44.7	173.9	171.7	-116	0	0	0	112.4	E433 L436 K437 K506 K507 V508 N512 F513 S514	E433-W510 HydrophobicContact CB-CH2 4.19Å; E433-W510 HydrophobicContact CB-CZ3 3.92Å; E433-W510 HydrophobicContact CG-CH2 3.51Å; E433-W510 HydrophobicContact CG-CZ2 4.5Å; E433-W510 HydrophobicContact CG-CZ3 3.65Å; L436-W510 HydrophobicContact CB-CB 4.42Å; L436-W510 HydrophobicContact CB-CE3 3.96Å; K437-W510 HydrophobicContact CB-CD2 4.11Å; K437-W510 HydrophobicContact CB-CE3 4.17Å; K437-W510 HydrophobicContact CB-CH2 4.5Å; K437-W510 HydrophobicContact CB-CZ2 4.42Å; K437-W510 HydrophobicContact CB-CZ3 4.36Å; K437-W510 HydrophobicContact CD-CH2 4.45Å; K437-W510 HydrophobicContact CD-CZ2 4.17Å; K437-W510 HydrophobicContact CG-CD2 4.4Å; K437-W510 HydrophobicContact CG-CZ2 4.15Å; K506-W510 WeakPolarHBondContact O-CB 3.5Å; K506-W510 PolarHBondContact O-N 3.3Å; K507-W510 PolarHBondContact O-N 3.47Å; V508-W510 VanDerWaalsContact C-N 3.32Å; V508-W510 PolarHBondContact O-N 2.76Å; W510-N512 PolarHBondContact O-N 2.95Å; W510-F513 AromaticContact CE3-CD1 3.97Å; W510-F513 HydrophobicContact CE3-CD1 3.97Å; W510-F513 AromaticContact CZ3-CD1 3.63Å; W510-F513 HydrophobicContact CZ3-CD1 3.63Å; W510-F513 HydrophobicContact CZ3-CE1 4.06Å; W510-F513 PolarHBondContact O-N 2.87Å; W510-S514 VanDerWaalsContact O-CB 3.28Å; W510-S514 WeakPolarHBondContact O-CB 3.47Å; W510-S514 PolarHBondContact O-N 3.01Å
511	G	92.6	Very high	87.5	Confident	36 Å²	36	65.8 Å²	65.8	37%	0.371	33%	0.327	S	S	.	.	H	α-helix	trans	-56.3	-48.9	177	0	0	0	0	0	112.3	K507 V508 S514 E515	K507-G511 PolarHBondContact O-N 2.99Å; V508-G511 PolarHBondContact O-N 3.15Å; G511-S514 PolarHBondContact O-N 3.46Å; G511-E515 WeakPolarHBondContact O-CB 3.49Å; G511-E515 PolarHBondContact O-N 3.06Å
512	N	92.4	Very high	86.8	Confident	68 Å²	68	63.4 Å²	63.4	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-66.5	-39.2	177.8	-68.2	-35	0	0	0	113	V508 Y509 W510 E515 A516 Y528	V508-N512 PolarHBondContact O-N 3.05Å; V508-N512 PolarHBondContact O-ND2 3.39Å; Y509-N512 PolarHBondContact O-N 2.88Å; W510-N512 PolarHBondContact O-N 2.95Å; N512-E515 PolarHBondContact O-N 3.1Å; N512-A516 WeakPolarHBondContact O-CB 3.45Å; N512-A516 PolarHBondContact O-N 3.18Å; N512-Y528 HydrophobicContact CB-CE1 3.92Å; N512-Y528 HydrophobicContact CB-CE2 3.95Å; N512-Y528 VanDerWaalsContact CB-CZ 3.4Å; N512-Y528 WeakPolarHBondContact CB-OH 3.44Å; N512-Y528 PolarHBondContact ND2-OH 2.73Å; N512-Y528 VanDerWaalsContact ND2-OH 3.16Å
513	F	93	Very high	86.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.9	-43.1	176.4	177.7	-95	0	0	0	111.2	L429 I432 L436 Y509 W510 E515 A516 R517 A525 Y528 W529	L429-F513 HydrophobicContact CD2-CE2 4.04Å; L429-F513 HydrophobicContact CD2-CZ 3.7Å; I432-F513 HydrophobicContact CB-CE2 4.17Å; I432-F513 HydrophobicContact CB-CZ 3.85Å; I432-F513 HydrophobicContact CD1-CE2 4.38Å; I432-F513 HydrophobicContact CG2-CD1 4.46Å; I432-F513 HydrophobicContact CG2-CD2 3.94Å; I432-F513 HydrophobicContact CG2-CE1 3.99Å; I432-F513 HydrophobicContact CG2-CE2 3.41Å; I432-F513 VanDerWaalsContact CG2-CE2 3.41Å; I432-F513 HydrophobicContact CG2-CG 4.43Å; I432-F513 HydrophobicContact CG2-CZ 3.44Å; I432-F513 VanDerWaalsContact CG2-CZ 3.44Å; L436-F513 HydrophobicContact CD1-CB 3.69Å; L436-F513 HydrophobicContact CD1-CD1 4.14Å; L436-F513 HydrophobicContact CD1-CD2 4Å; L436-F513 HydrophobicContact CD1-CG 3.67Å; Y509-F513 WeakPolarHBondContact O-CB 3.39Å; Y509-F513 PolarHBondContact O-N 2.74Å; W510-F513 AromaticContact CE3-CD1 3.97Å; W510-F513 HydrophobicContact CE3-CD1 3.97Å; W510-F513 AromaticContact CZ3-CD1 3.63Å; W510-F513 HydrophobicContact CZ3-CD1 3.63Å; W510-F513 HydrophobicContact CZ3-CE1 4.06Å; W510-F513 PolarHBondContact O-N 2.87Å; F513-E515 VanDerWaalsContact C-N 3.32Å; F513-E515 PolarHBondContact O-N 3.42Å; F513-A516 PolarHBondContact O-N 3.35Å; F513-R517 WeakPolarHBondContact O-CB 3.49Å; F513-R517 PolarHBondContact O-N 3.28Å; F513-A525 HydrophobicContact CD2-CB 4.42Å; F513-A525 HydrophobicContact CE2-CB 3.93Å; F513-A525 HydrophobicContact CZ-CB 4.4Å; F513-Y528 HydrophobicContact CB-CD1 3.92Å; F513-Y528 HydrophobicContact CB-CE1 3.91Å; F513-Y528 HydrophobicContact CD2-CD1 4.12Å; F513-W529 HydrophobicContact CE2-CB 4.4Å
514	S	90	Very high	86.1	Confident	27 Å²	27	65.3 Å²	65.3	19%	0.189	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-40.4	176.1	-171.8	0	0	0	0	111.3	W510 G511 R517 K518	W510-S514 VanDerWaalsContact O-CB 3.28Å; W510-S514 WeakPolarHBondContact O-CB 3.47Å; W510-S514 PolarHBondContact O-N 3.01Å; G511-S514 PolarHBondContact O-N 3.46Å; S514-R517 PolarHBondContact O-N 3.14Å; S514-K518 WeakPolarHBondContact O-CB 3.27Å; S514-K518 WeakPolarHBondContact O-CG 3.33Å; S514-K518 PolarHBondContact O-N 2.83Å
515	E	87.7	Confident	86	Confident	124 Å²	124	62.5 Å²	62.5	58%	0.579	32%	0.317	S	S	*	.	H	α-helix	trans	-65	-42.7	173.5	-170.9	175.4	-177.5	0	0	111.7	G511 N512 F513 R517 K518 S519	G511-E515 WeakPolarHBondContact O-CB 3.49Å; G511-E515 PolarHBondContact O-N 3.06Å; N512-E515 PolarHBondContact O-N 3.1Å; F513-E515 VanDerWaalsContact C-N 3.32Å; F513-E515 PolarHBondContact O-N 3.42Å; E515-R517 PolarHBondContact O-N 2.94Å; E515-K518 PolarHBondContact O-N 3.05Å; E515-S519 VanDerWaalsContact O-CB 3.31Å; E515-S519 WeakPolarHBondContact O-CB 3.3Å; E515-S519 PolarHBondContact O-N 3.33Å; E515-S519 PolarHBondContact O-OG 3.26Å
516	A	85.5	Confident	85.9	Confident	12 Å²	12	58.7 Å²	58.7	10%	0.099	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-41.5	174.2	0	0	0	0	0	112.1	N512 F513 K518 K520 A525	N512-A516 WeakPolarHBondContact O-CB 3.45Å; N512-A516 PolarHBondContact O-N 3.18Å; F513-A516 PolarHBondContact O-N 3.35Å; A516-K518 PolarHBondContact O-N 3.33Å; A516-K520 VanDerWaalsContact O-CB 3.32Å; A516-K520 WeakPolarHBondContact O-CB 3.41Å; A516-K520 PolarHBondContact O-N 3.21Å; A516-K520 VanDerWaalsContact O-N 3.17Å; A516-A525 HydrophobicContact CB-CB 4.35Å
517	R	81.9	Confident	85.9	Confident	68 Å²	68	59.5 Å²	59.5	26%	0.257	31%	0.313	S	S	.	.	H	α-helix	trans	-65.4	-35.4	176.7	-173	178.9	177.4	157.4	11.7	112.4	H426 D430 E433 F513 S514 E515 A525	H426-R517 PolarHBondContact NE2-NH2 3.47Å; D430-R517 IonicContact OD1-CZ 2.68Å; D430-R517 IonicContact OD1-NH1 2.81Å; D430-R517 PolarHBondContact OD1-NH1 2.71Å; D430-R517 VanDerWaalsContact OD1-NH1 3.07Å; D430-R517 IonicContact OD1-NH2 3.82Å; D430-R517 PolarHBondContact OD1-NH2 3.45Å; E433-R517 IonicContact OE2-CZ 3.54Å; E433-R517 IonicContact OE2-NH1 2.91Å; E433-R517 PolarHBondContact OE2-NH1 3.26Å; F513-R517 WeakPolarHBondContact O-CB 3.49Å; F513-R517 PolarHBondContact O-N 3.28Å; S514-R517 PolarHBondContact O-N 3.14Å; E515-R517 PolarHBondContact O-N 2.94Å; R517-A525 HydrophobicContact CB-CB 4.47Å
518	K	79.3	Confident	85.9	Confident	143 Å²	143	57 Å²	57	62%	0.622	30%	0.301	S	S	*	.	H	α-helix	trans	-86.2	-41	-178	-72.5	-176.2	-176.7	-164.5	0	114.3	H62 S514 E515 A516	H62-K518 PolarHBondContact NE2-NZ 3.3Å; S514-K518 WeakPolarHBondContact O-CB 3.27Å; S514-K518 WeakPolarHBondContact O-CG 3.33Å; S514-K518 PolarHBondContact O-N 2.83Å; E515-K518 PolarHBondContact O-N 3.05Å; A516-K518 PolarHBondContact O-N 3.33Å
519	S	70.5	Confident	86	Confident	77 Å²	77	53.3 Å²	53.3	54%	0.538	28%	0.279	S	S	.	.	H	α-helix	trans	-91.8	-13.1	-172.1	64.1	0	0	0	0	113.2	E515	E515-S519 VanDerWaalsContact O-CB 3.31Å; E515-S519 WeakPolarHBondContact O-CB 3.3Å; E515-S519 PolarHBondContact O-N 3.33Å; E515-S519 PolarHBondContact O-OG 3.26Å
520	K	73.8	Confident	85.9	Confident	123 Å²	123	55.9 Å²	55.9	54%	0.535	30%	0.299	S	S	.	.	S	Bend	trans	-140.8	-168.3	-171.8	-50.2	-171.6	177.5	-175.5	0	112.1	A516 D524	A516-K520 VanDerWaalsContact O-CB 3.32Å; A516-K520 WeakPolarHBondContact O-CB 3.41Å; A516-K520 PolarHBondContact O-N 3.21Å; A516-K520 VanDerWaalsContact O-N 3.17Å; K520-D524 HydrophobicContact CB-CB 3.66Å; K520-D524 WeakPolarHBondContact CB-OD2 3.23Å; K520-D524 HydrophobicContact CD-CB 3.75Å; K520-D524 HydrophobicContact CG-CB 4.39Å
521	T	75.7	Confident	85.8	Confident	36 Å²	36	61.4 Å²	61.4	22%	0.221	33%	0.325	C	S	.	.			trans	-88.9	156.4	-173.2	61.1	0	0	0	0	112	E523 D524 A525	T521-E523 WeakPolarHBondContact CB-OE2 3.38Å; T521-E523 PolarHBondContact O-N 3.5Å; T521-E523 VanDerWaalsContact O-N 3.12Å; T521-E523 PolarHBondContact OG1-OE2 2.89Å; T521-D524 PolarHBondContact N-OD2 3.32Å; T521-D524 WeakPolarHBondContact O-CB 3.16Å; T521-D524 PolarHBondContact O-N 2.92Å; T521-D524 PolarHBondContact OG1-OD2 3.45Å; T521-A525 PolarHBondContact O-N 2.92Å
522	P	77	Confident	85.8	Confident	46 Å²	46	60.2 Å²	60.2	30%	0.299	31%	0.31	S	S	.	.	H	α-helix	trans	-45.6	-40.1	174.1	-31.3	37.5	0	0	0	113.1	L429 D524 A525 L526	L429-P522 HydrophobicContact CD1-CB 3.93Å; L429-P522 HydrophobicContact CD1-CG 4.49Å; P522-D524 PolarHBondContact O-N 2.87Å; P522-A525 PolarHBondContact O-N 3.33Å; P522-L526 VanDerWaalsContact O-CG 3.3Å; P522-L526 WeakPolarHBondContact O-CG 3.4Å; P522-L526 PolarHBondContact O-N 3.28Å
523	E	78.6	Confident	85.8	Confident	85 Å²	85	60.4 Å²	60.4	40%	0.397	31%	0.308	S	S	.	.	H	α-helix	trans	-63.9	-37.2	179.8	-55.7	94.4	132.7	0	0	112.4	R205 T521 L526 A527	R205-E523 IonicContact NH2-OE1 2.89Å; T521-E523 WeakPolarHBondContact CB-OE2 3.38Å; T521-E523 PolarHBondContact O-N 3.5Å; T521-E523 VanDerWaalsContact O-N 3.12Å; T521-E523 PolarHBondContact OG1-OE2 2.89Å; E523-L526 PolarHBondContact O-N 2.96Å; E523-A527 WeakPolarHBondContact O-CB 3.3Å; E523-A527 PolarHBondContact O-N 3.37Å
524	D	84.9	Confident	85.6	Confident	66 Å²	66	65.7 Å²	65.7	35%	0.353	34%	0.34	S	S	.	.	H	α-helix	trans	-67.6	-40.1	175.3	-75	-64.1	0	0	0	111.7	K520 T521 P522 A527 Y528	K520-D524 HydrophobicContact CB-CB 3.66Å; K520-D524 WeakPolarHBondContact CB-OD2 3.23Å; K520-D524 HydrophobicContact CD-CB 3.75Å; K520-D524 HydrophobicContact CG-CB 4.39Å; T521-D524 PolarHBondContact N-OD2 3.32Å; T521-D524 WeakPolarHBondContact O-CB 3.16Å; T521-D524 PolarHBondContact O-N 2.92Å; T521-D524 PolarHBondContact OG1-OD2 3.45Å; P522-D524 PolarHBondContact O-N 2.87Å; D524-A527 PolarHBondContact O-N 2.88Å; D524-Y528 WeakPolarHBondContact O-CB 3.2Å; D524-Y528 PolarHBondContact O-N 2.9Å
525	A	89	Confident	85.5	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-66.5	-40.3	175.3	0	0	0	0	0	111.2	L429 F513 A516 R517 T521 P522 Y528 W529	L429-A525 HydrophobicContact CD2-CB 3.64Å; F513-A525 HydrophobicContact CD2-CB 4.42Å; F513-A525 HydrophobicContact CE2-CB 3.93Å; F513-A525 HydrophobicContact CZ-CB 4.4Å; A516-A525 HydrophobicContact CB-CB 4.35Å; R517-A525 HydrophobicContact CB-CB 4.47Å; T521-A525 PolarHBondContact O-N 2.92Å; P522-A525 PolarHBondContact O-N 3.33Å; A525-Y528 PolarHBondContact O-N 3.33Å; A525-W529 WeakPolarHBondContact O-CB 3.33Å; A525-W529 PolarHBondContact O-N 2.86Å
526	L	89.3	Confident	85.5	Confident	20 Å²	20	65 Å²	65	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-66.9	-38	173.5	-69.4	176.9	0	0	0	112.5	E425 Q428 L429 I432 P522 E523 W529 T530	E425-L526 HydrophobicContact CB-CD1 4.28Å; E425-L526 HydrophobicContact CG-CD1 3.97Å; Q428-L526 HydrophobicContact CB-CD2 4.31Å; Q428-L526 HydrophobicContact CG-CD2 3.8Å; L429-L526 HydrophobicContact CD2-CD2 3.94Å; L429-L526 HydrophobicContact CD2-CG 4.09Å; L429-L526 HydrophobicContact CG-CD2 4.42Å; I432-L526 HydrophobicContact CD1-CD2 3.71Å; P522-L526 VanDerWaalsContact O-CG 3.3Å; P522-L526 WeakPolarHBondContact O-CG 3.4Å; P522-L526 PolarHBondContact O-N 3.28Å; E523-L526 PolarHBondContact O-N 2.96Å; L526-W529 PolarHBondContact O-N 3.17Å; L526-T530 WeakPolarHBondContact O-CB 3.45Å; L526-T530 PolarHBondContact O-N 3.39Å; L526-T530 PolarHBondContact O-OG1 2.97Å
527	A	90.5	Very high	85.4	Confident	45 Å²	45	70.5 Å²	70.5	37%	0.372	36%	0.355	S	S	.	.	H	α-helix	trans	-66.7	-39	174.2	0	0	0	0	0	111.5	E523 D524 K531	E523-A527 WeakPolarHBondContact O-CB 3.3Å; E523-A527 PolarHBondContact O-N 3.37Å; D524-A527 PolarHBondContact O-N 2.88Å; A527-K531 WeakPolarHBondContact O-CG 3.26Å; A527-K531 PolarHBondContact O-N 3.09Å
528	Y	91.6	Very high	85.3	Confident	44 Å²	44	71.8 Å²	71.8	17%	0.173	37%	0.37	C	S	.	.	H	α-helix	trans	-62.9	-50	171.9	-177.8	-102.4	0	0	0	111.1	Y509 N512 F513 D524 A525 T530 K531 I532	Y509-Y528 WeakPolarHBondContact CD1-OH 3.17Å; N512-Y528 HydrophobicContact CB-CE1 3.92Å; N512-Y528 HydrophobicContact CB-CE2 3.95Å; N512-Y528 VanDerWaalsContact CB-CZ 3.4Å; N512-Y528 WeakPolarHBondContact CB-OH 3.44Å; N512-Y528 PolarHBondContact ND2-OH 2.73Å; N512-Y528 VanDerWaalsContact ND2-OH 3.16Å; F513-Y528 HydrophobicContact CB-CD1 3.92Å; F513-Y528 HydrophobicContact CB-CE1 3.91Å; F513-Y528 HydrophobicContact CD2-CD1 4.12Å; D524-Y528 WeakPolarHBondContact O-CB 3.2Å; D524-Y528 PolarHBondContact O-N 2.9Å; A525-Y528 PolarHBondContact O-N 3.33Å; Y528-T530 VanDerWaalsContact C-N 3.3Å; Y528-T530 PolarHBondContact O-N 3.2Å; Y528-K531 WeakPolarHBondContact O-CB 3.39Å; Y528-K531 PolarHBondContact O-N 3.05Å; Y528-I532 HydrophobicContact CD1-CD1 3.99Å; Y528-I532 HydrophobicContact CD1-CG1 4.38Å; Y528-I532 HydrophobicContact CE1-CD1 3.47Å; Y528-I532 VanDerWaalsContact CE1-CD1 3.47Å; Y528-I532 HydrophobicContact CE1-CG1 4.18Å; Y528-I532 HydrophobicContact CE1-CG2 4.2Å; Y528-I532 HydrophobicContact CE2-CG2 4.2Å; Y528-I532 PolarHBondContact O-N 2.93Å
529	W	94	Very high	85.2	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.015	35%	0.354	C	S	.	.	H	α-helix	trans	-53.6	-47.9	175.7	171.7	-117.2	0	0	0	111.6	I432 I435 L436 F513 A525 L526 K531 I532 K533 F536	I432-W529 HydrophobicContact CB-CD2 4.32Å; I432-W529 HydrophobicContact CB-CE3 4.49Å; I432-W529 HydrophobicContact CD1-CB 3.78Å; I432-W529 HydrophobicContact CD1-CD2 3.97Å; I432-W529 HydrophobicContact CD1-CG 3.41Å; I432-W529 VanDerWaalsContact CD1-CG 3.41Å; I432-W529 HydrophobicContact CG1-CB 4.44Å; I432-W529 HydrophobicContact CG1-CD2 3.69Å; I432-W529 HydrophobicContact CG1-CE3 4.33Å; I432-W529 HydrophobicContact CG1-CG 3.72Å; I432-W529 HydrophobicContact CG1-CZ2 4.28Å; I432-W529 HydrophobicContact CG2-CB 4.28Å; I432-W529 HydrophobicContact CG2-CD2 3.67Å; I432-W529 HydrophobicContact CG2-CE3 3.48Å; I432-W529 VanDerWaalsContact CG2-CE3 3.48Å; I432-W529 HydrophobicContact CG2-CG 4.03Å; I432-W529 HydrophobicContact CG2-CZ3 4.01Å; I435-W529 HydrophobicContact CB-CH2 4.29Å; I435-W529 HydrophobicContact CD1-CH2 3.99Å; I435-W529 HydrophobicContact CD1-CZ2 4.06Å; I435-W529 HydrophobicContact CG2-CH2 3.82Å; I435-W529 HydrophobicContact CG2-CZ3 4.31Å; L436-W529 HydrophobicContact CD1-CE3 4Å; L436-W529 HydrophobicContact CD1-CZ3 4.14Å; L436-W529 HydrophobicContact CD2-CE3 4.44Å; L436-W529 HydrophobicContact CD2-CZ3 3.86Å; L436-W529 HydrophobicContact CG-CE3 4.24Å; L436-W529 HydrophobicContact CG-CZ3 3.85Å; F513-W529 HydrophobicContact CE2-CB 4.4Å; A525-W529 WeakPolarHBondContact O-CB 3.33Å; A525-W529 PolarHBondContact O-N 2.86Å; L526-W529 PolarHBondContact O-N 3.17Å; W529-K531 PolarHBondContact O-N 3Å; W529-K531 VanDerWaalsContact O-N 3.15Å; W529-I532 HydrophobicContact CE3-CD1 4.19Å; W529-I532 HydrophobicContact CE3-CG1 4.01Å; W529-I532 CarbonylContact O-C 3.56Å; W529-I532 WeakPolarHBondContact O-CG1 3.49Å; W529-I532 PolarHBondContact O-N 3.25Å; W529-K533 HydrophobicContact CD2-CB 4.21Å; W529-K533 HydrophobicContact CH2-CG 4.47Å; W529-K533 HydrophobicContact CZ2-CB 4.17Å; W529-K533 HydrophobicContact CZ2-CD 4.3Å; W529-K533 HydrophobicContact CZ2-CG 3.8Å; W529-K533 WeakPolarHBondContact O-CA 3.31Å; W529-K533 WeakPolarHBondContact O-CB 3.45Å; W529-K533 PolarHBondContact O-N 2.86Å; W529-F536 HydrophobicContact CH2-CB 3.87Å; W529-F536 HydrophobicContact CH2-CG 4.45Å; W529-F536 HydrophobicContact CZ3-CB 4.21Å; W529-F536 HydrophobicContact CZ3-CD2 4.11Å; W529-F536 HydrophobicContact CZ3-CG 4.32Å
530	T	92	Very high	85.7	Confident	101 Å²	101	64.5 Å²	64.5	62%	0.62	33%	0.333	S	S	*	.	H	α-helix	trans	-55.8	-35.3	179.1	-60.3	0	0	0	0	112.6	L526 Y528	L526-T530 WeakPolarHBondContact O-CB 3.45Å; L526-T530 PolarHBondContact O-N 3.39Å; L526-T530 PolarHBondContact O-OG1 2.97Å; Y528-T530 VanDerWaalsContact C-N 3.3Å; Y528-T530 PolarHBondContact O-N 3.2Å
531	K	92.9	Very high	86	Confident	164 Å²	164	63 Å²	63	71%	0.713	33%	0.328	S	S	*	.	H	α-helix	trans	-71.2	-35.4	176.7	-68.1	170.2	-175.6	174	0	112.9	A527 Y528 W529	A527-K531 WeakPolarHBondContact O-CG 3.26Å; A527-K531 PolarHBondContact O-N 3.09Å; Y528-K531 WeakPolarHBondContact O-CB 3.39Å; Y528-K531 PolarHBondContact O-N 3.05Å; W529-K531 PolarHBondContact O-N 3Å; W529-K531 VanDerWaalsContact O-N 3.15Å
532	I	92.6	Very high	86	Confident	11 Å²	11	66.5 Å²	66.5	6%	0.056	34%	0.341	C	S	.	.	H	α-helix	trans	-100.6	-14.7	-173.1	67.4	161.7	0	0	0	113.8	L436 Y509 Y528 W529 V534 H535 F536	L436-I532 HydrophobicContact CD1-CD1 3.87Å; L436-I532 HydrophobicContact CD2-CD1 3.85Å; Y509-I532 HydrophobicContact CD1-CB 4.05Å; Y509-I532 HydrophobicContact CD1-CD1 3.89Å; Y509-I532 HydrophobicContact CD1-CG2 3.7Å; Y509-I532 HydrophobicContact CE1-CB 4.09Å; Y509-I532 HydrophobicContact CE1-CG2 3.62Å; Y509-I532 HydrophobicContact CG-CD1 4.09Å; Y528-I532 HydrophobicContact CD1-CD1 3.99Å; Y528-I532 HydrophobicContact CD1-CG1 4.38Å; Y528-I532 HydrophobicContact CE1-CD1 3.47Å; Y528-I532 VanDerWaalsContact CE1-CD1 3.47Å; Y528-I532 HydrophobicContact CE1-CG1 4.18Å; Y528-I532 HydrophobicContact CE1-CG2 4.2Å; Y528-I532 HydrophobicContact CE2-CG2 4.2Å; Y528-I532 PolarHBondContact O-N 2.93Å; W529-I532 HydrophobicContact CE3-CD1 4.19Å; W529-I532 HydrophobicContact CE3-CG1 4.01Å; W529-I532 CarbonylContact O-C 3.56Å; W529-I532 WeakPolarHBondContact O-CG1 3.49Å; W529-I532 PolarHBondContact O-N 3.25Å; I532-V534 PolarHBondContact O-N 3.39Å; I532-H535 WeakPolarHBondContact O-CB 3.43Å; I532-H535 PolarHBondContact O-CD2 2.71Å; I532-H535 PolarHBondContact O-N 2.85Å; I532-F536 HydrophobicContact CD1-CE2 4.22Å
533	K	91.4	Very high	85.9	Confident	73 Å²	73	66.1 Å²	66.1	32%	0.317	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-51.5	-32.8	-175.7	179.5	177.1	-172.1	170.4	0	113.3	W529 H535 F536 K537 E540	W529-K533 HydrophobicContact CD2-CB 4.21Å; W529-K533 HydrophobicContact CH2-CG 4.47Å; W529-K533 HydrophobicContact CZ2-CB 4.17Å; W529-K533 HydrophobicContact CZ2-CD 4.3Å; W529-K533 HydrophobicContact CZ2-CG 3.8Å; W529-K533 WeakPolarHBondContact O-CA 3.31Å; W529-K533 WeakPolarHBondContact O-CB 3.45Å; W529-K533 PolarHBondContact O-N 2.86Å; K533-H535 PolarHBondContact O-N 3.18Å; K533-H535 VanDerWaalsContact O-N 3.16Å; K533-F536 CarbonylContact O-C 3.6Å; K533-F536 PolarHBondContact O-N 3Å; K533-K537 PolarHBondContact O-N 3.16Å; K533-E540 WeakPolarHBondContact CE-OE1 3.07Å; K533-E540 WeakPolarHBondContact CE-OE2 3.41Å; K533-E540 IonicContact NZ-OE1 3.34Å; K533-E540 PolarHBondContact NZ-OE1 2.77Å; K533-E540 IonicContact NZ-OE2 2.78Å; K533-E540 PolarHBondContact NZ-OE2 2.88Å
534	V	90.4	Very high	85.8	Confident	111 Å²	111	64.6 Å²	64.6	67%	0.673	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-56.7	-29.9	176.6	69.1	0	0	0	0	113	I532 F536	I532-V534 PolarHBondContact O-N 3.39Å; V534-F536 VanDerWaalsContact C-N 3.32Å
535	H	87.5	Confident	85.3	Confident	120 Å²	120	67.7 Å²	67.7	56%	0.556	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-78.4	-15.3	177.8	-61.5	-66.3	0	0	0	113.5	Y509 I532 K533	Y509-H535 AromaticContact CZ-CD2 3.94Å; Y509-H535 PolarHBondContact OH-CD2 3.01Å; Y509-H535 PolarHBondContact OH-NE2 2.92Å; I532-H535 WeakPolarHBondContact O-CB 3.43Å; I532-H535 PolarHBondContact O-CD2 2.71Å; I532-H535 PolarHBondContact O-N 2.85Å; K533-H535 PolarHBondContact O-N 3.18Å; K533-H535 VanDerWaalsContact O-N 3.16Å
536	F	87.4	Confident	84.3	Confident	17 Å²	17	72.6 Å²	72.6	8%	0.075	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-119.9	13.8	-173.2	-65	-80.8	0	0	0	113.4	I435 L436 K506 Y509 W529 I532 K533 V534 V538 T539 E540	I435-F536 HydrophobicContact CG2-CB 3.88Å; I435-F536 HydrophobicContact CG2-CD1 4.06Å; I435-F536 HydrophobicContact CG2-CG 4.16Å; L436-F536 HydrophobicContact CD2-CD1 4.22Å; L436-F536 HydrophobicContact CD2-CD2 3.72Å; L436-F536 HydrophobicContact CD2-CE1 3.87Å; L436-F536 HydrophobicContact CD2-CE2 3.34Å; L436-F536 HydrophobicContact CD2-CG 4.14Å; L436-F536 HydrophobicContact CD2-CZ 3.41Å; L436-F536 VanDerWaalsContact CD2-CZ 3.41Å; K506-F536 HydrophobicContact CB-CE1 4.3Å; K506-F536 HydrophobicContact CB-CZ 4.41Å; K506-F536 HydrophobicContact CD-CE1 4.35Å; K506-F536 HydrophobicContact CG-CE1 3.96Å; K506-F536 HydrophobicContact CG-CZ 4.31Å; Y509-F536 AromaticContact CD2-CE2 3.67Å; Y509-F536 HydrophobicContact CD2-CE2 3.67Å; Y509-F536 AromaticContact CD2-CZ 3.63Å; Y509-F536 HydrophobicContact CD2-CZ 3.63Å; Y509-F536 HydrophobicContact CE2-CE2 4.23Å; Y509-F536 HydrophobicContact CE2-CZ 4.38Å; Y509-F536 HydrophobicContact CG-CE2 4.03Å; Y509-F536 HydrophobicContact CG-CZ 4.2Å; W529-F536 HydrophobicContact CH2-CB 3.87Å; W529-F536 HydrophobicContact CH2-CG 4.45Å; W529-F536 HydrophobicContact CZ3-CB 4.21Å; W529-F536 HydrophobicContact CZ3-CD2 4.11Å; W529-F536 HydrophobicContact CZ3-CG 4.32Å; I532-F536 HydrophobicContact CD1-CE2 4.22Å; K533-F536 CarbonylContact O-C 3.6Å; K533-F536 PolarHBondContact O-N 3Å; V534-F536 VanDerWaalsContact C-N 3.32Å; F536-V538 VanDerWaalsContact C-N 3.3Å; F536-V538 PolarHBondContact O-N 2.98Å; F536-T539 PolarHBondContact O-N 3.26Å; F536-T539 VanDerWaalsContact O-N 3.17Å; F536-E540 WeakPolarHBondContact O-CB 3.31Å; F536-E540 PolarHBondContact O-N 2.83Å
537	K	84	Confident	83.2	Confident	127 Å²	127	74.6 Å²	74.6	55%	0.552	38%	0.377	S	S	*	.	H	α-helix	trans	-55	-41.9	-174.3	-170.4	-178.9	177.2	-172.3	0	113.3	K533 E540 E541	K533-K537 PolarHBondContact O-N 3.16Å; K537-E540 PolarHBondContact O-N 3.5Å; K537-E541 WeakPolarHBondContact CE-OE1 3.45Å; K537-E541 WeakPolarHBondContact O-CG 3.39Å; K537-E541 PolarHBondContact O-N 2.73Å
538	V	79.5	Confident	82.3	Confident	95 Å²	95	80.7 Å²	80.7	58%	0.576	40%	0.395	S	S	*	.	H	α-helix	trans	-66.1	-49	178.9	178.6	0	0	0	0	110.8	F536 E540 E541 E542	F536-V538 VanDerWaalsContact C-N 3.3Å; F536-V538 PolarHBondContact O-N 2.98Å; V538-E540 VanDerWaalsContact C-N 3.26Å; V538-E540 PolarHBondContact O-N 3.44Å; V538-E541 PolarHBondContact O-N 3.15Å; V538-E541 VanDerWaalsContact O-N 3.16Å; V538-E542 WeakPolarHBondContact O-CG 3.5Å; V538-E542 PolarHBondContact O-N 3.43Å
539	T	76.8	Confident	80.7	Confident	47 Å²	47	81.1 Å²	81.1	29%	0.288	41%	0.407	S	S	.	.	H	α-helix	trans	-62.3	-35	178.4	-46.8	0	0	0	0	112	I435 F536 E542 Q543	I435-T539 HydrophobicContact CG2-CG2 3.92Å; F536-T539 PolarHBondContact O-N 3.26Å; F536-T539 VanDerWaalsContact O-N 3.17Å; T539-E542 PolarHBondContact O-N 2.87Å; T539-Q543 WeakPolarHBondContact O-CB 3.45Å; T539-Q543 WeakPolarHBondContact O-CG 3.36Å; T539-Q543 PolarHBondContact O-N 3.47Å
540	E	81.2	Confident	78.9	Confident	19 Å²	19	88.1 Å²	88.1	9%	0.089	44%	0.441	C	S	.	.	H	α-helix	trans	-65.6	-43.6	174.8	-173.9	-171.1	-165.3	0	0	112.1	R431 I435 K533 F536 K537 V538 E542 Q543 L544	R431-E540 IonicContact CZ-OE1 2.71Å; R431-E540 IonicContact NH2-OE1 2.73Å; R431-E540 PolarHBondContact NH2-OE1 3.48Å; R431-E540 VanDerWaalsContact NH2-OE1 3.1Å; I435-E540 HydrophobicContact CD1-CB 4.06Å; I435-E540 HydrophobicContact CD1-CG 4.01Å; K533-E540 WeakPolarHBondContact CE-OE1 3.07Å; K533-E540 WeakPolarHBondContact CE-OE2 3.41Å; K533-E540 IonicContact NZ-OE1 3.34Å; K533-E540 PolarHBondContact NZ-OE1 2.77Å; K533-E540 IonicContact NZ-OE2 2.78Å; K533-E540 PolarHBondContact NZ-OE2 2.88Å; F536-E540 WeakPolarHBondContact O-CB 3.31Å; F536-E540 PolarHBondContact O-N 2.83Å; K537-E540 PolarHBondContact O-N 3.5Å; V538-E540 VanDerWaalsContact C-N 3.26Å; V538-E540 PolarHBondContact O-N 3.44Å; E540-E542 VanDerWaalsContact C-N 3.34Å; E540-Q543 PolarHBondContact O-N 3.42Å; E540-L544 HydrophobicContact CG-CD1 4.45Å; E540-L544 WeakPolarHBondContact O-CG 3.41Å; E540-L544 PolarHBondContact O-N 3.12Å
541	E	80.4	Confident	77.2	Confident	93 Å²	93	85.5 Å²	85.5	44%	0.435	43%	0.425	S	S	.	.	H	α-helix	trans	-63.7	-39.7	175.7	-74.1	173.6	-168.5	0	0	111.3	K537 V538 L544 Q545	K537-E541 WeakPolarHBondContact CE-OE1 3.45Å; K537-E541 WeakPolarHBondContact O-CG 3.39Å; K537-E541 PolarHBondContact O-N 2.73Å; V538-E541 PolarHBondContact O-N 3.15Å; V538-E541 VanDerWaalsContact O-N 3.16Å; E541-L544 PolarHBondContact O-N 2.92Å; E541-Q545 VanDerWaalsContact O-CG 3.31Å; E541-Q545 WeakPolarHBondContact O-CG 3.38Å; E541-Q545 PolarHBondContact O-N 3.28Å
542	E	75.3	Confident	75.6	Confident	108 Å²	108	80.3 Å²	80.3	51%	0.505	41%	0.409	S	S	.	.	H	α-helix	trans	-64.2	-44.5	174.4	-71.3	174.5	166.2	0	0	112.1	V538 T539 E540 Q545 L546	V538-E542 WeakPolarHBondContact O-CG 3.5Å; V538-E542 PolarHBondContact O-N 3.43Å; T539-E542 PolarHBondContact O-N 2.87Å; E540-E542 VanDerWaalsContact C-N 3.34Å; E542-Q545 WeakPolarHBondContact O-CB 3.44Å; E542-Q545 PolarHBondContact O-N 3.14Å; E542-L546 WeakPolarHBondContact O-CG 3.43Å; E542-L546 PolarHBondContact O-N 3.39Å
543	Q	74.1	Confident	74.3	Confident	38 Å²	38	84.7 Å²	84.7	18%	0.178	44%	0.437	C	S	.	.	H	α-helix	trans	-63.1	-41	175.1	-81.9	-70.8	-11.8	0	0	112.1	I435 T539 E540 Q545 L546 E547	I435-Q543 HydrophobicContact CG1-CB 4.27Å; I435-Q543 HydrophobicContact CG1-CG 3.85Å; T539-Q543 WeakPolarHBondContact O-CB 3.45Å; T539-Q543 WeakPolarHBondContact O-CG 3.36Å; T539-Q543 PolarHBondContact O-N 3.47Å; E540-Q543 PolarHBondContact O-N 3.42Å; Q543-Q545 VanDerWaalsContact C-N 3.26Å; Q543-Q545 PolarHBondContact O-N 3.29Å; Q543-L546 PolarHBondContact O-N 2.81Å; Q543-L546 VanDerWaalsContact O-N 3.17Å; Q543-E547 WeakPolarHBondContact O-CG 3.27Å; Q543-E547 PolarHBondContact O-N 3.14Å
544	L	77.4	Confident	73.3	Confident	54 Å²	54	84.3 Å²	84.3	28%	0.283	45%	0.447	S	S	.	.	H	α-helix	trans	-63.2	-33.5	173.7	-79.1	167.2	0	0	0	112.9	R431 E540 E541 K548	R431-L544 VanDerWaalsContact NH2-CD1 3.27Å; E540-L544 HydrophobicContact CG-CD1 4.45Å; E540-L544 WeakPolarHBondContact O-CG 3.41Å; E540-L544 PolarHBondContact O-N 3.12Å; E541-L544 PolarHBondContact O-N 2.92Å; L544-K548 VanDerWaalsContact O-CG 3.28Å; L544-K548 WeakPolarHBondContact O-CG 3.36Å; L544-K548 PolarHBondContact O-N 2.86Å
545	Q	74.9	Confident	72.3	Confident	131 Å²	131	83.2 Å²	83.2	61%	0.612	43%	0.434	S	S	*	.	H	α-helix	trans	-70.2	-39.6	174.4	-73.6	177.3	29.8	0	0	111.1	E541 E542 Q543 K548 A549	E541-Q545 VanDerWaalsContact O-CG 3.31Å; E541-Q545 WeakPolarHBondContact O-CG 3.38Å; E541-Q545 PolarHBondContact O-N 3.28Å; E542-Q545 WeakPolarHBondContact O-CB 3.44Å; E542-Q545 PolarHBondContact O-N 3.14Å; Q543-Q545 VanDerWaalsContact C-N 3.26Å; Q543-Q545 PolarHBondContact O-N 3.29Å; Q545-K548 PolarHBondContact O-N 3.28Å; Q545-A549 WeakPolarHBondContact O-CB 3.34Å; Q545-A549 PolarHBondContact O-N 3.47Å
546	L	66.8	Low	71.7	Confident	103 Å²	103	80.9 Å²	80.9	54%	0.539	42%	0.424	S	S	.	.	H	α-helix	trans	-63.9	-43.3	174.7	-74.2	166.7	0	0	0	112.2	E542 Q543 K548 A549	E542-L546 WeakPolarHBondContact O-CG 3.43Å; E542-L546 PolarHBondContact O-N 3.39Å; Q543-L546 PolarHBondContact O-N 2.81Å; Q543-L546 VanDerWaalsContact O-N 3.17Å; L546-K548 PolarHBondContact O-N 3.02Å; L546-A549 PolarHBondContact O-N 3.32Å; L546-A549 VanDerWaalsContact O-N 3.12Å
547	E	66.2	Low	71.3	Confident	62 Å²	62	84.5 Å²	84.5	29%	0.29	44%	0.444	S	S	.	.	H	α-helix	trans	-62.7	-29	176.7	-73.9	176.2	172.8	0	0	112.4	R431 R434 Q543 F629	R431-E547 WeakPolarHBondContact CD-OE1 3.5Å; R431-E547 WeakPolarHBondContact CG-OE1 3.12Å; R431-E547 IonicContact NE-OE1 3.12Å; R431-E547 IonicContact NE-OE2 3.69Å; R434-E547 IonicContact CZ-OE1 3.43Å; R434-E547 IonicContact NH2-OE1 3.57Å; R434-E547 PolarHBondContact NH2-OE1 3.28Å; Q543-E547 WeakPolarHBondContact O-CG 3.27Å; Q543-E547 PolarHBondContact O-N 3.14Å; E547-F629 HydrophobicContact CG-CE2 3.95Å; E547-F629 HydrophobicContact CG-CZ 3.92Å
548	K	71.7	Confident	71	Confident	172 Å²	172	81.5 Å²	81.5	75%	0.748	43%	0.434	S	S	*	.	H	α-helix	trans	-86.9	-24.9	174.4	-70	174	-175.6	178.9	0	113.5	L544 Q545 L546 E550	L544-K548 VanDerWaalsContact O-CG 3.28Å; L544-K548 WeakPolarHBondContact O-CG 3.36Å; L544-K548 PolarHBondContact O-N 2.86Å; Q545-K548 PolarHBondContact O-N 3.28Å; L546-K548 PolarHBondContact O-N 3.02Å; K548-E550 VanDerWaalsContact C-N 3.32Å; K548-E550 PolarHBondContact O-N 3.44Å
549	A	58.4	Low	71	Confident	53 Å²	53	80 Å²	80	44%	0.438	42%	0.418	S	S	.	.			trans	-82.6	81	-179.3	0	0	0	0	0	109.2	Q545 L546	Q545-A549 WeakPolarHBondContact O-CB 3.34Å; Q545-A549 PolarHBondContact O-N 3.47Å; L546-A549 PolarHBondContact O-N 3.32Å; L546-A549 VanDerWaalsContact O-N 3.12Å
550	E	56	Low	71.3	Confident	152 Å²	152	82.6 Å²	82.6	71%	0.71	43%	0.425	S	S	*	.			trans	-52.2	132.8	156.9	-144.2	172.9	-160.3	0	0	107.7	K548 S552 W626	K548-E550 VanDerWaalsContact C-N 3.32Å; K548-E550 PolarHBondContact O-N 3.44Å; E550-S552 VanDerWaalsContact C-N 3.32Å; E550-S552 PolarHBondContact O-N 2.82Å; E550-W626 HydrophobicContact CG-CZ2 4.01Å
551	P	56.9	Low	71.5	Confident	45 Å²	45	86.9 Å²	86.9	29%	0.292	45%	0.445	S	S	.	.			trans	-58.3	102.7	177.4	20.9	-29.9	0	0	0	107	W626	P551-W626 VanDerWaalsContact CD-CD2 3.45Å; P551-W626 HydrophobicContact CG-CD2 3.71Å; P551-W626 HydrophobicContact CG-CE3 3.68Å; P551-W626 HydrophobicContact CG-CG 4.32Å; P551-W626 HydrophobicContact CG-CH2 3.94Å; P551-W626 HydrophobicContact CG-CZ2 3.99Å; P551-W626 HydrophobicContact CG-CZ3 3.79Å
552	S	59.3	Low	71.7	Confident	55 Å²	55	82.9 Å²	82.9	39%	0.385	43%	0.427	S	S	.	.			trans	-58.4	149	-172.4	69.9	0	0	0	0	109.1	E550 A554 H555	E550-S552 VanDerWaalsContact C-N 3.32Å; E550-S552 PolarHBondContact O-N 2.82Å; S552-A554 CarbonylContact O-C 3.58Å; S552-A554 PolarHBondContact O-N 3.47Å; S552-H555 WeakPolarHBondContact O-CB 3.29Å; S552-H555 PolarHBondContact O-N 3.14Å; S552-H555 PolarHBondContact OG-ND1 2.9Å; S552-H555 VanDerWaalsContact OG-ND1 3.15Å
553	T	65.2	Low	72.2	Confident	104 Å²	104	79.6 Å²	79.6	64%	0.638	42%	0.416	S	S	*	.	H	α-helix	trans	-49.4	-25.2	175.1	-34.3	0	0	0	0	111.9	N557	T553-N557 WeakPolarHBondContact O-CB 3.31Å; T553-N557 PolarHBondContact O-N 3.23Å; T553-N557 PolarHBondContact O-ND2 3.06Å
554	A	69.6	Low	72.8	Confident	64 Å²	64	82.8 Å²	82.8	53%	0.529	43%	0.434	S	S	.	.	H	α-helix	trans	-66	-40	172.5	0	0	0	0	0	114.3	S552 E556 N557 L558	S552-A554 CarbonylContact O-C 3.58Å; S552-A554 PolarHBondContact O-N 3.47Å; A554-E556 VanDerWaalsContact C-N 3.35Å; A554-N557 PolarHBondContact O-N 2.83Å; A554-L558 VanDerWaalsContact O-CB 3.31Å; A554-L558 WeakPolarHBondContact O-CB 3.32Å; A554-L558 PolarHBondContact O-N 3.37Å
555	H	69.8	Low	73.1	Confident	88 Å²	88	85.4 Å²	85.4	41%	0.407	44%	0.44	S	S	.	.	H	α-helix	trans	-62.6	-42.9	175.3	-79	87.4	0	0	0	111.2	S552 L558 Y559 L619	S552-H555 WeakPolarHBondContact O-CB 3.29Å; S552-H555 PolarHBondContact O-N 3.14Å; S552-H555 PolarHBondContact OG-ND1 2.9Å; S552-H555 VanDerWaalsContact OG-ND1 3.15Å; H555-L558 PolarHBondContact O-N 2.78Å; H555-Y559 WeakPolarHBondContact O-CB 3.44Å; H555-Y559 PolarHBondContact O-N 3.13Å; H555-L619 VanDerWaalsContact CD2-CD2 3.41Å; H555-L619 WeakPolarHBondContact CD2-CD2 3.1Å
556	E	75.1	Confident	73.6	Confident	71 Å²	71	79.7 Å²	79.7	33%	0.332	41%	0.414	S	S	.	.	H	α-helix	trans	-65.8	-43.1	176.8	-173.3	176.7	166.1	0	0	111.9	A554 L558 Y559 K560 R623	A554-E556 VanDerWaalsContact C-N 3.35Å; E556-L558 VanDerWaalsContact C-N 3.35Å; E556-L558 PolarHBondContact O-N 3.22Å; E556-Y559 PolarHBondContact O-N 3.4Å; E556-K560 HydrophobicContact CG-CD 4.44Å; E556-K560 WeakPolarHBondContact O-CG 3.5Å; E556-K560 PolarHBondContact O-N 3.46Å; E556-K560 VanDerWaalsContact OE1-CE 3.27Å; E556-K560 WeakPolarHBondContact OE1-CE 3.36Å; E556-K560 IonicContact OE1-NZ 2.9Å; E556-K560 PolarHBondContact OE1-NZ 3.13Å; E556-R623 IonicContact OE2-NH2 3.41Å
557	N	78	Confident	74.5	Confident	93 Å²	93	77.6 Å²	77.6	50%	0.497	41%	0.406	S	S	.	.	H	α-helix	trans	-62.8	-41.6	176.2	-72.3	-21.2	0	0	0	111.9	T553 A554 K560 E561	T553-N557 WeakPolarHBondContact O-CB 3.31Å; T553-N557 PolarHBondContact O-N 3.23Å; T553-N557 PolarHBondContact O-ND2 3.06Å; A554-N557 PolarHBondContact O-N 2.83Å; N557-K560 PolarHBondContact O-N 2.01Å; N557-E561 WeakPolarHBondContact O-CB 3.42Å; N557-E561 PolarHBondContact O-N 3.44Å
558	L	78.4	Confident	75.5	Confident	64 Å²	64	80.1 Å²	80.1	34%	0.335	42%	0.417	S	S	.	.	H	α-helix	trans	-66.2	-41.3	176.8	-176.1	63.1	0	0	0	111.7	A554 H555 E556 E561 L562 L615 L619	A554-L558 VanDerWaalsContact O-CB 3.31Å; A554-L558 WeakPolarHBondContact O-CB 3.32Å; A554-L558 PolarHBondContact O-N 3.37Å; H555-L558 PolarHBondContact O-N 2.78Å; E556-L558 VanDerWaalsContact C-N 3.35Å; E556-L558 PolarHBondContact O-N 3.22Å; L558-E561 PolarHBondContact O-N 3.11Å; L558-L562 HydrophobicContact CG-CD1 4.18Å; L558-L562 WeakPolarHBondContact O-CB 3.43Å; L558-L562 VanDerWaalsContact O-CG 3.28Å; L558-L562 WeakPolarHBondContact O-CG 2.99Å; L558-L562 PolarHBondContact O-N 3.41Å; L558-L615 HydrophobicContact CD2-CD2 4Å; L558-L619 HydrophobicContact CB-CD1 4.44Å; L558-L619 HydrophobicContact CD2-CD1 4.02Å; L558-L619 HydrophobicContact CG-CD1 4.03Å
559	Y	79.6	Confident	76.1	Confident	64 Å²	64	73.2 Å²	73.2	25%	0.251	39%	0.393	S	S	.	.	H	α-helix	trans	-61.7	-44.4	174.7	-173.5	-88.8	0	0	0	111.5	H555 E556 L562 S563 Q616 L619 R620	H555-Y559 WeakPolarHBondContact O-CB 3.44Å; H555-Y559 PolarHBondContact O-N 3.13Å; E556-Y559 PolarHBondContact O-N 3.4Å; Y559-L562 PolarHBondContact O-N 2.04Å; Y559-S563 WeakPolarHBondContact O-CB 3.01Å; Y559-S563 PolarHBondContact O-N 2.81Å; Y559-Q616 HydrophobicContact CD2-CG 3.93Å; Y559-Q616 HydrophobicContact CE2-CG 3.46Å; Y559-Q616 VanDerWaalsContact CE2-CG 3.46Å; Y559-L619 HydrophobicContact CD2-CB 4.02Å; Y559-R620 HydrophobicContact CE2-CB 4.24Å
560	K	83.8	Confident	77.5	Confident	102 Å²	102	74.4 Å²	74.4	44%	0.443	39%	0.389	S	S	.	.	H	α-helix	trans	-60.4	-43.7	174.3	-76.1	175.8	-175.5	164.3	0	111.7	E556 N557 S563 N564	E556-K560 HydrophobicContact CG-CD 4.44Å; E556-K560 WeakPolarHBondContact O-CG 3.5Å; E556-K560 PolarHBondContact O-N 3.46Å; E556-K560 VanDerWaalsContact OE1-CE 3.27Å; E556-K560 WeakPolarHBondContact OE1-CE 3.36Å; E556-K560 IonicContact OE1-NZ 2.9Å; E556-K560 PolarHBondContact OE1-NZ 3.13Å; N557-K560 PolarHBondContact O-N 2.01Å; K560-S563 PolarHBondContact O-N 3.34Å; K560-N564 WeakPolarHBondContact O-CB 3.36Å; K560-N564 PolarHBondContact O-N 2.85Å; K560-N564 PolarHBondContact O-ND2 2.93Å
561	E	85.7	Confident	79	Confident	108 Å²	108	73.4 Å²	73.4	51%	0.505	38%	0.379	S	S	.	.	H	α-helix	trans	-61.7	-47.4	177.5	-170.8	-173.2	157.8	0	0	112	N557 L558 N564 R565	N557-E561 WeakPolarHBondContact O-CB 3.42Å; N557-E561 PolarHBondContact O-N 3.44Å; L558-E561 PolarHBondContact O-N 3.11Å; E561-N564 PolarHBondContact O-N 3.33Å; E561-R565 WeakPolarHBondContact O-CG 3.4Å; E561-R565 PolarHBondContact O-N 2.88Å
562	L	83.3	Confident	80.2	Confident	9 Å²	9	74.3 Å²	74.3	5%	0.047	40%	0.396	C	S	.	.	H	α-helix	trans	-63.3	-44.6	177.6	-70.1	167.9	0	0	0	111.9	L558 Y559 N564 R565 I566 L615 Q616 L619	L558-L562 HydrophobicContact CG-CD1 4.18Å; L558-L562 WeakPolarHBondContact O-CB 3.43Å; L558-L562 VanDerWaalsContact O-CG 3.28Å; L558-L562 WeakPolarHBondContact O-CG 2.99Å; L558-L562 PolarHBondContact O-N 3.41Å; Y559-L562 PolarHBondContact O-N 2.04Å; L562-N564 VanDerWaalsContact C-N 3.33Å; L562-N564 PolarHBondContact O-N 3.43Å; L562-R565 PolarHBondContact O-N 3.48Å; L562-I566 WeakPolarHBondContact O-CG1 3.5Å; L562-I566 PolarHBondContact O-N 3.21Å; L562-L615 HydrophobicContact CD1-CB 4Å; L562-L615 HydrophobicContact CD1-CD2 3.95Å; L562-L615 HydrophobicContact CD1-CG 4.4Å; L562-Q616 HydrophobicContact CB-CB 4.44Å; L562-Q616 HydrophobicContact CD1-CB 4.33Å; L562-L619 HydrophobicContact CD1-CD1 3.7Å
563	S	85.4	Confident	81.7	Confident	39 Å²	39	71.7 Å²	71.7	27%	0.273	38%	0.378	S	S	.	.	H	α-helix	trans	-60.5	-44.8	176.9	-165.4	0	0	0	0	110.8	Y559 K560 R565 I566 T567	Y559-S563 WeakPolarHBondContact O-CB 3.01Å; Y559-S563 PolarHBondContact O-N 2.81Å; K560-S563 PolarHBondContact O-N 3.34Å; S563-R565 PolarHBondContact O-N 2.78Å; S563-I566 PolarHBondContact O-N 3.33Å; S563-T567 WeakPolarHBondContact O-CB 3.33Å; S563-T567 PolarHBondContact O-N 3.32Å; S563-T567 PolarHBondContact O-OG1 3.38Å
564	N	87.5	Confident	82.8	Confident	105 Å²	105	73.3 Å²	73.3	56%	0.561	37%	0.372	S	S	*	.	H	α-helix	trans	-61.8	-42.3	177.1	-73.5	-19	0	0	0	112	K560 E561 L562 T567 E568	K560-N564 WeakPolarHBondContact O-CB 3.36Å; K560-N564 PolarHBondContact O-N 2.85Å; K560-N564 PolarHBondContact O-ND2 2.93Å; E561-N564 PolarHBondContact O-N 3.33Å; L562-N564 VanDerWaalsContact C-N 3.33Å; L562-N564 PolarHBondContact O-N 3.43Å; N564-T567 PolarHBondContact O-N 3.16Å; N564-E568 VanDerWaalsContact O-CB 3.23Å; N564-E568 WeakPolarHBondContact O-CB 3.06Å; N564-E568 PolarHBondContact O-N 2.95Å
565	R	84.1	Confident	83.8	Confident	109 Å²	109	71.9 Å²	71.9	41%	0.411	36%	0.364	S	S	.	.	H	α-helix	trans	-62.2	-43.1	175.9	-78.5	-177.9	59.9	-163.8	-9.4	112.5	E561 L562 S563 E568 A569 E609 S612	E561-R565 WeakPolarHBondContact O-CG 3.4Å; E561-R565 PolarHBondContact O-N 2.88Å; L562-R565 PolarHBondContact O-N 3.48Å; S563-R565 PolarHBondContact O-N 2.78Å; R565-E568 PolarHBondContact O-N 3.3Å; R565-A569 PolarHBondContact O-N 3.49Å; R565-E609 IonicContact CZ-OE2 3.65Å; R565-E609 IonicContact NE-OE2 2.75Å; R565-E609 IonicContact NH2-OE1 2.82Å; R565-E609 PolarHBondContact NH2-OE1 3.08Å; R565-E609 IonicContact NH2-OE2 3.43Å; R565-E609 PolarHBondContact NH2-OE2 3.42Å; R565-S612 PolarHBondContact NH2-OG 3.2Å
566	I	85	Confident	84.7	Confident	11 Å²	11	69.6 Å²	69.6	6%	0.056	36%	0.355	C	S	.	.	H	α-helix	trans	-64.8	-48.3	177.2	-68.9	162.2	0	0	0	110	L562 S563 E568 A569 E570 L613	L562-I566 WeakPolarHBondContact O-CG1 3.5Å; L562-I566 PolarHBondContact O-N 3.21Å; S563-I566 PolarHBondContact O-N 3.33Å; I566-E568 VanDerWaalsContact C-N 3.27Å; I566-E568 PolarHBondContact O-N 2.64Å; I566-A569 WeakPolarHBondContact O-CB 3.3Å; I566-A569 PolarHBondContact O-N 3.43Å; I566-A569 VanDerWaalsContact O-N 3.15Å; I566-E570 HydrophobicContact CG2-CG 4.34Å; I566-E570 WeakPolarHBondContact O-CB 3.47Å; I566-E570 VanDerWaalsContact O-CG 3.32Å; I566-E570 WeakPolarHBondContact O-CG 3.38Å; I566-E570 PolarHBondContact O-N 2.89Å; I566-L613 HydrophobicContact CD1-CD2 3.65Å; I566-L613 HydrophobicContact CD1-CG 4.05Å; I566-L613 HydrophobicContact CG1-CD2 4.36Å
567	T	86.7	Confident	85.4	Confident	60 Å²	60	73.6 Å²	73.6	37%	0.368	37%	0.367	S	S	.	.	H	α-helix	trans	-61	-36.1	177.3	-56.9	0	0	0	0	112.4	S563 N564 E570 R571	S563-T567 WeakPolarHBondContact O-CB 3.33Å; S563-T567 PolarHBondContact O-N 3.32Å; S563-T567 PolarHBondContact O-OG1 3.38Å; N564-T567 PolarHBondContact O-N 3.16Å; T567-E570 PolarHBondContact O-N 3.37Å; T567-R571 PolarHBondContact O-N 2.94Å
568	E	85.5	Confident	85.9	Confident	114 Å²	114	74.2 Å²	74.2	53%	0.533	37%	0.366	S	S	.	.	H	α-helix	trans	-68.6	-39.7	175.7	-179.5	143.3	-119.4	0	0	112.3	N564 R565 I566 R571	N564-E568 VanDerWaalsContact O-CB 3.23Å; N564-E568 WeakPolarHBondContact O-CB 3.06Å; N564-E568 PolarHBondContact O-N 2.95Å; R565-E568 PolarHBondContact O-N 3.3Å; I566-E568 VanDerWaalsContact C-N 3.27Å; I566-E568 PolarHBondContact O-N 2.64Å; E568-R571 VanDerWaalsContact O-CB 3.24Å; E568-R571 WeakPolarHBondContact O-CB 3.45Å; E568-R571 PolarHBondContact O-N 3.13Å; E568-R571 IonicContact OE1-CZ 2.67Å; E568-R571 IonicContact OE1-NH1 2.69Å; E568-R571 PolarHBondContact OE1-NH1 2.83Å; E568-R571 IonicContact OE1-NH2 2.72Å
569	A	84.3	Confident	86.5	Confident	28 Å²	28	76.7 Å²	76.7	23%	0.231	38%	0.375	C	S	.	.	H	α-helix	trans	-63.7	-45.6	171.8	0	0	0	0	0	111.3	R565 I566 R571 G572 I605 E609	R565-A569 PolarHBondContact O-N 3.49Å; I566-A569 WeakPolarHBondContact O-CB 3.3Å; I566-A569 PolarHBondContact O-N 3.43Å; I566-A569 VanDerWaalsContact O-N 3.15Å; A569-R571 PolarHBondContact O-N 3.35Å; A569-G572 PolarHBondContact O-N 2.94Å; A569-G572 VanDerWaalsContact O-N 3.12Å; A569-I605 VanDerWaalsContact C-CD1 3.46Å; A569-I605 HydrophobicContact CB-CD1 4.38Å; A569-I605 HydrophobicContact CB-CG1 4.27Å; A569-I605 HydrophobicContact CB-CG2 3.75Å; A569-I605 WeakPolarHBondContact O-CD1 3.35Å; A569-E609 HydrophobicContact CB-CG 4.23Å
570	E	87.8	Confident	86.9	Confident	77 Å²	77	74.6 Å²	74.6	36%	0.36	37%	0.367	S	S	.	.	H	α-helix	trans	-63.1	-25.5	178	-72.4	177.8	166.4	0	0	113.2	I566 T567 G572 C573 R574 M602 I605	I566-E570 HydrophobicContact CG2-CG 4.34Å; I566-E570 WeakPolarHBondContact O-CB 3.47Å; I566-E570 VanDerWaalsContact O-CG 3.32Å; I566-E570 WeakPolarHBondContact O-CG 3.38Å; I566-E570 PolarHBondContact O-N 2.89Å; T567-E570 PolarHBondContact O-N 3.37Å; E570-G572 PolarHBondContact O-N 3.46Å; E570-G572 VanDerWaalsContact O-N 3.15Å; E570-C573 PolarHBondContact O-N 3.38Å; E570-R574 PolarHBondContact O-N 3.36Å; E570-M602 HydrophobicContact CG-CE 3.99Å; E570-M602 HydrophobicContact CG-SD 4.29Å; E570-I605 HydrophobicContact CG-CD1 4.37Å
571	R	87.4	Confident	86.9	Confident	131 Å²	131	76 Å²	76	49%	0.494	38%	0.378	S	S	.	.	H	α-helix	trans	-55.7	-31.7	174.1	-159.9	-176	-61.2	130.1	0.3	111.8	T567 E568 A569 C573 R574	T567-R571 PolarHBondContact O-N 2.94Å; E568-R571 VanDerWaalsContact O-CB 3.24Å; E568-R571 WeakPolarHBondContact O-CB 3.45Å; E568-R571 PolarHBondContact O-N 3.13Å; E568-R571 IonicContact OE1-CZ 2.67Å; E568-R571 IonicContact OE1-NH1 2.69Å; E568-R571 PolarHBondContact OE1-NH1 2.83Å; E568-R571 IonicContact OE1-NH2 2.72Å; A569-R571 PolarHBondContact O-N 3.35Å; R571-C573 VanDerWaalsContact C-N 3.28Å; R571-C573 PolarHBondContact O-N 2.92Å; R571-R574 VanDerWaalsContact O-CB 3.31Å; R571-R574 WeakPolarHBondContact O-CB 3.49Å; R571-R574 PolarHBondContact O-N 2.66Å
572	G	83.3	Confident	86.9	Confident	64 Å²	64	77.2 Å²	77.2	66%	0.66	38%	0.383	S	S	*	.	H	α-helix	trans	-63.2	-30.2	173.9	0	0	0	0	0	113.9	A569 E570	A569-G572 PolarHBondContact O-N 2.94Å; A569-G572 VanDerWaalsContact O-N 3.12Å; E570-G572 PolarHBondContact O-N 3.46Å; E570-G572 VanDerWaalsContact O-N 3.15Å
573	C	90.7	Very high	87	Confident	1 Å²	1	78.6 Å²	78.6	1%	0.007	39%	0.389	C	S	.	.	H	α-helix	trans	-91.3	-8.8	177.4	-52	0	0	0	0	113.2	E570 R571 G575 L576 R577 Y598 C601 M602 I605	E570-C573 PolarHBondContact O-N 3.38Å; R571-C573 VanDerWaalsContact C-N 3.28Å; R571-C573 PolarHBondContact O-N 2.92Å; C573-G575 VanDerWaalsContact C-N 3.3Å; C573-G575 PolarHBondContact O-N 3.48Å; C573-L576 WeakPolarHBondContact O-CB 3.32Å; C573-L576 PolarHBondContact O-N 2.91Å; C573-R577 PolarHBondContact O-N 3.41Å; C573-R577 VanDerWaalsContact O-N 3.17Å; C573-Y598 HydrophobicContact CB-CD2 4.25Å; C573-Y598 HydrophobicContact CB-CE2 4.14Å; C573-C601 WeakPolarHBondContact CA-SG 3.47Å; C573-C601 HydrophobicContact CB-CB 3.96Å; C573-C601 WeakPolarHBondContact CB-SG 3.35Å; C573-C601 WeakPolarHBondContact SG-CB 3.17Å; C573-C601 CovalentContact SG-SG 2.03Å; C573-C601 PolarHBondContact SG-SG 2.83Å; C573-M602 HydrophobicContact CB-SD 4.11Å; C573-I605 WeakPolarHBondContact SG-CD1 3.5Å
574	R	88.6	Confident	86.5	Confident	137 Å²	137	81.4 Å²	81.4	52%	0.517	40%	0.401	S	S	.	.	H	α-helix	trans	-56.1	-42.2	-177.9	-174.7	-176.7	-71.9	-131.5	-0.9	112.5	E570 R571 L576 R577 E578	E570-R574 PolarHBondContact O-N 3.36Å; R571-R574 VanDerWaalsContact O-CB 3.31Å; R571-R574 WeakPolarHBondContact O-CB 3.49Å; R571-R574 PolarHBondContact O-N 2.66Å; R574-L576 PolarHBondContact O-N 2.81Å; R574-R577 WeakPolarHBondContact O-CB 3.42Å; R574-R577 PolarHBondContact O-N 3.22Å; R574-E578 WeakPolarHBondContact CD-OE1 3.49Å; R574-E578 HydrophobicContact CG-CG 4.42Å; R574-E578 WeakPolarHBondContact CG-OE1 3.28Å; R574-E578 PolarHBondContact O-N 3.09Å
575	G	89.2	Confident	86	Confident	34 Å²	34	83.4 Å²	83.4	35%	0.351	41%	0.412	S	S	.	.	H	α-helix	trans	-64.2	-26.1	178.5	0	0	0	0	0	113.8	C573 K579	C573-G575 VanDerWaalsContact C-N 3.3Å; C573-G575 PolarHBondContact O-N 3.48Å; G575-K579 VanDerWaalsContact O-CG 3.26Å; G575-K579 WeakPolarHBondContact O-CG 3.44Å; G575-K579 PolarHBondContact O-N 3.4Å
576	L	89.3	Confident	85.7	Confident	41 Å²	41	84.7 Å²	84.7	22%	0.215	42%	0.42	C	S	.	.	H	α-helix	trans	-74.7	-40.6	171.7	-70.2	169.6	0	0	0	110.9	C573 R574 K579 L580 L594 A597 Y598 C601	C573-L576 WeakPolarHBondContact O-CB 3.32Å; C573-L576 PolarHBondContact O-N 2.91Å; R574-L576 PolarHBondContact O-N 2.81Å; L576-K579 PolarHBondContact O-N 3.28Å; L576-L580 VanDerWaalsContact O-CB 3.3Å; L576-L580 WeakPolarHBondContact O-CB 3.23Å; L576-L580 PolarHBondContact O-N 3.49Å; L576-L594 HydrophobicContact CD2-CD2 4.24Å; L576-A597 HydrophobicContact CD1-CB 4.28Å; L576-A597 WeakPolarHBondContact CD1-O 3.43Å; L576-A597 HydrophobicContact CD2-CB 4.09Å; L576-Y598 HydrophobicContact CB-CD2 4.16Å; L576-C601 HydrophobicContact CD1-CB 3.86Å
577	R	89.2	Confident	85.6	Confident	154 Å²	154	88 Å²	88	58%	0.581	44%	0.442	S	S	*	.	H	α-helix	trans	-62.4	-42.4	175.1	-171.4	179.4	177.8	-165.5	-0.8	112.1	C573 R574 L580 M581 Y598	C573-R577 PolarHBondContact O-N 3.41Å; C573-R577 VanDerWaalsContact O-N 3.17Å; R574-R577 WeakPolarHBondContact O-CB 3.42Å; R574-R577 PolarHBondContact O-N 3.22Å; R577-L580 WeakPolarHBondContact O-CB 3.45Å; R577-L580 PolarHBondContact O-N 2.68Å; R577-M581 VanDerWaalsContact O-CG 3.32Å; R577-M581 WeakPolarHBondContact O-CG 3.29Å; R577-M581 PolarHBondContact O-N 3.2Å; R577-Y598 HydrophobicContact CB-CD2 4.2Å; R577-Y598 HydrophobicContact CB-CE2 3.86Å; R577-Y598 HydrophobicContact CG-CE2 4.45Å
578	E	89.9	Confident	85.5	Confident	106 Å²	106	91.4 Å²	91.4	50%	0.495	46%	0.456	S	S	.	.	H	α-helix	trans	-62.1	-48.2	176.2	-73.5	167.7	-176.6	0	0	111.1	R574 L580 M581 E582	R574-E578 WeakPolarHBondContact CD-OE1 3.49Å; R574-E578 HydrophobicContact CG-CG 4.42Å; R574-E578 WeakPolarHBondContact CG-OE1 3.28Å; R574-E578 PolarHBondContact O-N 3.09Å; E578-L580 VanDerWaalsContact C-N 3.3Å; E578-L580 PolarHBondContact O-N 3.32Å; E578-M581 PolarHBondContact O-N 2.93Å; E578-M581 VanDerWaalsContact O-N 3.16Å; E578-E582 PolarHBondContact O-N 3.05Å
579	K	89.7	Confident	85.5	Confident	117 Å²	117	91.4 Å²	91.4	51%	0.509	46%	0.456	S	S	.	.	H	α-helix	trans	-59.9	-39.1	174.2	-73.5	174.7	-176.9	-178.2	0	112.9	G575 L576 M581 E582 E583 L594	G575-K579 VanDerWaalsContact O-CG 3.26Å; G575-K579 WeakPolarHBondContact O-CG 3.44Å; G575-K579 PolarHBondContact O-N 3.4Å; L576-K579 PolarHBondContact O-N 3.28Å; K579-M581 VanDerWaalsContact C-N 3.31Å; K579-M581 PolarHBondContact O-N 3.42Å; K579-E582 PolarHBondContact O-N 3.02Å; K579-E583 WeakPolarHBondContact O-CB 3.47Å; K579-E583 WeakPolarHBondContact O-CG 3.49Å; K579-E583 PolarHBondContact O-N 2.95Å; K579-L594 HydrophobicContact CB-CD1 4.11Å; K579-L594 HydrophobicContact CB-CD2 3.9Å; K579-L594 HydrophobicContact CD-CD2 4.36Å
580	L	89.3	Confident	85.6	Confident	19 Å²	19	92.8 Å²	92.8	10%	0.099	46%	0.462	C	S	.	.	H	α-helix	trans	-59.4	-43.8	176.7	-171.1	83.1	0	0	0	111.1	L576 R577 E578 E583 N584 F591 L594 M595	L576-L580 VanDerWaalsContact O-CB 3.3Å; L576-L580 WeakPolarHBondContact O-CB 3.23Å; L576-L580 PolarHBondContact O-N 3.49Å; R577-L580 WeakPolarHBondContact O-CB 3.45Å; R577-L580 PolarHBondContact O-N 2.68Å; E578-L580 VanDerWaalsContact C-N 3.3Å; E578-L580 PolarHBondContact O-N 3.32Å; L580-E583 PolarHBondContact O-N 2.81Å; L580-N584 PolarHBondContact O-N 3.43Å; L580-N584 VanDerWaalsContact O-N 3.11Å; L580-F591 HydrophobicContact CD1-CD2 3.79Å; L580-F591 HydrophobicContact CD1-CE2 3.65Å; L580-F591 HydrophobicContact CD1-CG 4.4Å; L580-F591 HydrophobicContact CD1-CZ 4.13Å; L580-F591 HydrophobicContact CD2-CE2 4.23Å; L580-F591 HydrophobicContact CG-CD2 4.14Å; L580-F591 HydrophobicContact CG-CE2 3.68Å; L580-F591 HydrophobicContact CG-CZ 4.34Å; L580-L594 HydrophobicContact CD1-CB 3.68Å; L580-M595 HydrophobicContact CD1-CB 4.33Å; L580-M595 HydrophobicContact CD1-CG 3.63Å; L580-M595 HydrophobicContact CD1-SD 3.6Å; L580-M595 VanDerWaalsContact CD1-SD 3.6Å; L580-M595 HydrophobicContact CD2-SD 3.46Å; L580-M595 WeakPolarHBondContact CD2-SD 3.32Å; L580-M595 HydrophobicContact CG-SD 4.13Å
581	M	84.1	Confident	85.6	Confident	133 Å²	133	92 Å²	92	66%	0.655	46%	0.457	S	S	*	.	H	α-helix	trans	-68.1	-37.1	177.8	-64.7	-64.5	-69.7	0	0	112.2	R577 E578 K579	R577-M581 VanDerWaalsContact O-CG 3.32Å; R577-M581 WeakPolarHBondContact O-CG 3.29Å; R577-M581 PolarHBondContact O-N 3.2Å; E578-M581 PolarHBondContact O-N 2.93Å; E578-M581 VanDerWaalsContact O-N 3.16Å; K579-M581 VanDerWaalsContact C-N 3.31Å; K579-M581 PolarHBondContact O-N 3.42Å
582	E	85.7	Confident	85.7	Confident	133 Å²	133	91 Å²	91	62%	0.621	46%	0.458	S	S	*	.	H	α-helix	trans	-69.7	-36.6	176.4	-71.2	177.7	179.6	0	0	113	E578 K579	E578-E582 PolarHBondContact O-N 3.05Å; K579-E582 PolarHBondContact O-N 3.02Å
583	E	84.6	Confident	86.1	Confident	37 Å²	37	93.9 Å²	93.9	17%	0.173	45%	0.452	C	S	.	.	H	α-helix	trans	-87.6	-12.7	-176.2	-75.2	-63.2	150.3	0	0	114.3	K579 L580 N585 K586 V590 L594	K579-E583 WeakPolarHBondContact O-CB 3.47Å; K579-E583 WeakPolarHBondContact O-CG 3.49Å; K579-E583 PolarHBondContact O-N 2.95Å; L580-E583 PolarHBondContact O-N 2.81Å; E583-N585 PolarHBondContact O-N 3.47Å; E583-K586 PolarHBondContact O-N 2.99Å; E583-K586 IonicContact OE1-NZ 3.07Å; E583-K586 PolarHBondContact OE1-NZ 2.78Å; E583-K586 WeakPolarHBondContact OE2-CB 3.49Å; E583-K586 WeakPolarHBondContact OE2-CD 3.36Å; E583-V590 HydrophobicContact CB-CG1 4.13Å; E583-V590 HydrophobicContact CG-CG1 3.8Å; E583-L594 HydrophobicContact CB-CD1 3.69Å; E583-L594 HydrophobicContact CG-CD1 3.65Å
584	N	75.7	Confident	86.1	Confident	99 Å²	99	95 Å²	95	53%	0.529	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-21.6	177.2	-166.8	38.7	0	0	0	113.2	L580 F591	L580-N584 PolarHBondContact O-N 3.43Å; L580-N584 VanDerWaalsContact O-N 3.11Å; N584-F591 HydrophobicContact CB-CD2 4.24Å; N584-F591 HydrophobicContact CB-CE2 4.26Å
585	N	76.5	Confident	86.2	Confident	147 Å²	147	91.1 Å²	91.1	79%	0.786	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-4.9	179.5	-70.1	-17.7	0	0	0	115.4	E583	E583-N585 PolarHBondContact O-N 3.47Å
586	K	76.9	Confident	86.3	Confident	135 Å²	135	94.7 Å²	94.7	59%	0.587	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-56.5	-168.3	-60.7	-166.1	-158.3	150.6	0	114.6	E583	E583-K586 PolarHBondContact O-N 2.99Å; E583-K586 IonicContact OE1-NZ 3.07Å; E583-K586 PolarHBondContact OE1-NZ 2.78Å; E583-K586 WeakPolarHBondContact OE2-CB 3.49Å; E583-K586 WeakPolarHBondContact OE2-CD 3.36Å
587	T	82.9	Confident	86.5	Confident	82 Å²	82	94.4 Å²	94.4	50%	0.503	46%	0.461	S	S	.	.			trans	-160.2	131.7	-176.6	-22.6	0	0	0	0	111.5	E589 V590 F591	T587-E589 PolarHBondContact O-N 3.46Å; T587-V590 PolarHBondContact O-N 3.17Å; T587-V590 VanDerWaalsContact O-N 3.1Å; T587-F591 PolarHBondContact O-N 3.43Å; T587-F591 VanDerWaalsContact O-N 3.13Å
588	I	84.1	Confident	86.7	Confident	130 Å²	130	89.6 Å²	89.6	67%	0.667	44%	0.443	S	S	*	.	H	α-helix	trans	-53.3	-41.7	-179.8	-64.7	171.4	0	0	0	111.3	V590 F591 E592	I588-V590 VanDerWaalsContact C-N 3.35Å; I588-V590 PolarHBondContact O-N 2.95Å; I588-F591 WeakPolarHBondContact O-CB 3.49Å; I588-F591 PolarHBondContact O-N 3.05Å; I588-E592 HydrophobicContact CG2-CG 4.3Å; I588-E592 WeakPolarHBondContact O-CG 3.17Å; I588-E592 PolarHBondContact O-N 2.64Å
589	E	85.8	Confident	86.8	Confident	115 Å²	115	87.9 Å²	87.9	54%	0.537	44%	0.438	S	S	.	.	H	α-helix	trans	-63.3	-37.7	-178.7	-165.3	-166.6	153.1	0	0	113.1	T587 K593	T587-E589 PolarHBondContact O-N 3.46Å; E589-K593 WeakPolarHBondContact O-CG 3.44Å; E589-K593 PolarHBondContact O-N 3.39Å; E589-K593 WeakPolarHBondContact OE1-CE 3.37Å; E589-K593 IonicContact OE1-NZ 3.77Å; E589-K593 PolarHBondContact OE1-NZ 3.07Å
590	V	86.5	Confident	86.9	Confident	57 Å²	57	87.4 Å²	87.4	35%	0.345	44%	0.437	S	S	.	.	H	α-helix	trans	-71.7	-41.8	178	178.7	0	0	0	0	109.9	E583 T587 I588 K593 L594	E583-V590 HydrophobicContact CB-CG1 4.13Å; E583-V590 HydrophobicContact CG-CG1 3.8Å; T587-V590 PolarHBondContact O-N 3.17Å; T587-V590 VanDerWaalsContact O-N 3.1Å; I588-V590 VanDerWaalsContact C-N 3.35Å; I588-V590 PolarHBondContact O-N 2.95Å; V590-K593 PolarHBondContact O-N 2.91Å; V590-L594 HydrophobicContact CG1-CD1 4.1Å; V590-L594 PolarHBondContact O-N 3.06Å
591	F	87.3	Confident	87.1	Confident	60 Å²	60	88 Å²	88	26%	0.263	44%	0.443	S	S	.	.	H	α-helix	trans	-59.3	-46.6	175.4	-178.5	-92.3	0	0	0	111.7	L580 N584 T587 I588 K593 L594 M595	L580-F591 HydrophobicContact CD1-CD2 3.79Å; L580-F591 HydrophobicContact CD1-CE2 3.65Å; L580-F591 HydrophobicContact CD1-CG 4.4Å; L580-F591 HydrophobicContact CD1-CZ 4.13Å; L580-F591 HydrophobicContact CD2-CE2 4.23Å; L580-F591 HydrophobicContact CG-CD2 4.14Å; L580-F591 HydrophobicContact CG-CE2 3.68Å; L580-F591 HydrophobicContact CG-CZ 4.34Å; N584-F591 HydrophobicContact CB-CD2 4.24Å; N584-F591 HydrophobicContact CB-CE2 4.26Å; T587-F591 PolarHBondContact O-N 3.43Å; T587-F591 VanDerWaalsContact O-N 3.13Å; I588-F591 WeakPolarHBondContact O-CB 3.49Å; I588-F591 PolarHBondContact O-N 3.05Å; F591-K593 PolarHBondContact O-N 3.5Å; F591-L594 PolarHBondContact O-N 2.91Å; F591-M595 HydrophobicContact CD1-CG 3.93Å; F591-M595 HydrophobicContact CE1-CG 3.46Å; F591-M595 VanDerWaalsContact CE1-CG 3.46Å; F591-M595 HydrophobicContact CE1-SD 4.23Å; F591-M595 HydrophobicContact CZ-CG 3.8Å; F591-M595 HydrophobicContact CZ-SD 4Å; F591-M595 PolarHBondContact O-N 2.89Å
592	E	90.1	Very high	87.5	Confident	109 Å²	109	83 Å²	83	51%	0.509	42%	0.418	S	S	.	.	H	α-helix	trans	-61.1	-41.9	177.3	-75.5	178.9	171.4	0	0	112.4	I588 L594 M595 N596	I588-E592 HydrophobicContact CG2-CG 4.3Å; I588-E592 WeakPolarHBondContact O-CG 3.17Å; I588-E592 PolarHBondContact O-N 2.64Å; E592-L594 VanDerWaalsContact C-N 3.34Å; E592-L594 PolarHBondContact O-N 3.45Å; E592-M595 PolarHBondContact O-N 2.84Å; E592-N596 WeakPolarHBondContact O-CB 3.34Å; E592-N596 VanDerWaalsContact O-CG 3.31Å; E592-N596 PolarHBondContact O-N 2.68Å; E592-N596 PolarHBondContact O-ND2 2.92Å; E592-N596 VanDerWaalsContact O-ND2 3.13Å
593	K	91.3	Very high	87.7	Confident	126 Å²	126	80.8 Å²	80.8	55%	0.548	41%	0.41	S	S	.	.	H	α-helix	trans	-63.1	-40.3	175.1	-75.2	175.7	-172.1	162.5	0	112	E589 V590 F591 A597	E589-K593 WeakPolarHBondContact O-CG 3.44Å; E589-K593 PolarHBondContact O-N 3.39Å; E589-K593 WeakPolarHBondContact OE1-CE 3.37Å; E589-K593 IonicContact OE1-NZ 3.77Å; E589-K593 PolarHBondContact OE1-NZ 3.07Å; V590-K593 PolarHBondContact O-N 2.91Å; F591-K593 PolarHBondContact O-N 3.5Å; K593-A597 WeakPolarHBondContact O-CB 3.14Å; K593-A597 PolarHBondContact O-N 3.34Å; K593-A597 VanDerWaalsContact O-N 3.11Å
594	L	91.1	Very high	88	Confident	24 Å²	24	84.3 Å²	84.3	13%	0.126	43%	0.425	C	S	.	.	H	α-helix	trans	-69.9	-40.3	177.2	-78.9	168.6	0	0	0	112.5	L576 K579 L580 E583 V590 F591 E592 A597 Y598	L576-L594 HydrophobicContact CD2-CD2 4.24Å; K579-L594 HydrophobicContact CB-CD1 4.11Å; K579-L594 HydrophobicContact CB-CD2 3.9Å; K579-L594 HydrophobicContact CD-CD2 4.36Å; L580-L594 HydrophobicContact CD1-CB 3.68Å; E583-L594 HydrophobicContact CB-CD1 3.69Å; E583-L594 HydrophobicContact CG-CD1 3.65Å; V590-L594 HydrophobicContact CG1-CD1 4.1Å; V590-L594 PolarHBondContact O-N 3.06Å; F591-L594 PolarHBondContact O-N 2.91Å; E592-L594 VanDerWaalsContact C-N 3.34Å; E592-L594 PolarHBondContact O-N 3.45Å; L594-A597 PolarHBondContact O-N 3.45Å; L594-Y598 WeakPolarHBondContact O-CB 3.48Å; L594-Y598 PolarHBondContact O-N 3.35Å
595	M	90.7	Very high	88.6	Confident	56 Å²	56	80.6 Å²	80.6	28%	0.276	41%	0.405	S	S	.	.	H	α-helix	trans	-57.1	-51.6	173	-84.3	-56.2	-61.8	0	0	110.8	L580 F591 E592 A597 Y598 D599	L580-M595 HydrophobicContact CD1-CB 4.33Å; L580-M595 HydrophobicContact CD1-CG 3.63Å; L580-M595 HydrophobicContact CD1-SD 3.6Å; L580-M595 VanDerWaalsContact CD1-SD 3.6Å; L580-M595 HydrophobicContact CD2-SD 3.46Å; L580-M595 WeakPolarHBondContact CD2-SD 3.32Å; L580-M595 HydrophobicContact CG-SD 4.13Å; F591-M595 HydrophobicContact CD1-CG 3.93Å; F591-M595 HydrophobicContact CE1-CG 3.46Å; F591-M595 VanDerWaalsContact CE1-CG 3.46Å; F591-M595 HydrophobicContact CE1-SD 4.23Å; F591-M595 HydrophobicContact CZ-CG 3.8Å; F591-M595 HydrophobicContact CZ-SD 4Å; F591-M595 PolarHBondContact O-N 2.89Å; E592-M595 PolarHBondContact O-N 2.84Å; M595-A597 VanDerWaalsContact C-N 3.31Å; M595-A597 PolarHBondContact O-N 2.96Å; M595-Y598 WeakPolarHBondContact O-CB 3.39Å; M595-Y598 PolarHBondContact O-N 3.3Å; M595-Y598 VanDerWaalsContact O-N 3.12Å; M595-D599 PolarHBondContact O-N 3.45Å
596	N	92.5	Very high	89.1	Confident	108 Å²	108	79.1 Å²	79.1	58%	0.578	39%	0.391	S	S	*	.	H	α-helix	trans	-59.8	-41.4	179.4	-72.8	-34.3	0	0	0	112.1	E592 D599 E600	E592-N596 WeakPolarHBondContact O-CB 3.34Å; E592-N596 VanDerWaalsContact O-CG 3.31Å; E592-N596 PolarHBondContact O-N 2.68Å; E592-N596 PolarHBondContact O-ND2 2.92Å; E592-N596 VanDerWaalsContact O-ND2 3.13Å; N596-D599 PolarHBondContact O-N 3.3Å; N596-E600 WeakPolarHBondContact O-CB 3.49Å; N596-E600 PolarHBondContact O-N 2.9Å
597	A	91.8	Very high	89.5	Confident	35 Å²	35	79.8 Å²	79.8	29%	0.289	40%	0.396	S	S	.	.	H	α-helix	trans	-65.9	-39.4	176.3	0	0	0	0	0	112.4	L576 K593 L594 M595 C601	L576-A597 HydrophobicContact CD1-CB 4.28Å; L576-A597 WeakPolarHBondContact CD1-O 3.43Å; L576-A597 HydrophobicContact CD2-CB 4.09Å; K593-A597 WeakPolarHBondContact O-CB 3.14Å; K593-A597 PolarHBondContact O-N 3.34Å; K593-A597 VanDerWaalsContact O-N 3.11Å; L594-A597 PolarHBondContact O-N 3.45Å; M595-A597 VanDerWaalsContact C-N 3.31Å; M595-A597 PolarHBondContact O-N 2.96Å; A597-C601 VanDerWaalsContact O-CB 3.32Å; A597-C601 WeakPolarHBondContact O-CB 3.42Å; A597-C601 PolarHBondContact O-N 2.95Å
598	Y	94	Very high	89.5	Confident	54 Å²	54	85.9 Å²	85.9	21%	0.212	41%	0.41	C	S	.	.	H	α-helix	trans	-64.9	-46.4	175.7	177.3	-98.3	0	0	0	111.2	C573 L576 R577 L594 M595 E600 C601 M602	C573-Y598 HydrophobicContact CB-CD2 4.25Å; C573-Y598 HydrophobicContact CB-CE2 4.14Å; L576-Y598 HydrophobicContact CB-CD2 4.16Å; R577-Y598 HydrophobicContact CB-CD2 4.2Å; R577-Y598 HydrophobicContact CB-CE2 3.86Å; R577-Y598 HydrophobicContact CG-CE2 4.45Å; L594-Y598 WeakPolarHBondContact O-CB 3.48Å; L594-Y598 PolarHBondContact O-N 3.35Å; M595-Y598 WeakPolarHBondContact O-CB 3.39Å; M595-Y598 PolarHBondContact O-N 3.3Å; M595-Y598 VanDerWaalsContact O-N 3.12Å; Y598-E600 PolarHBondContact O-N 2.91Å; Y598-C601 WeakPolarHBondContact O-CB 3.38Å; Y598-C601 PolarHBondContact O-N 3.44Å; Y598-C601 VanDerWaalsContact O-N 3.17Å; Y598-M602 HydrophobicContact CD1-CG 4.14Å; Y598-M602 HydrophobicContact CD2-CG 4.46Å; Y598-M602 HydrophobicContact CE1-CG 3.69Å; Y598-M602 HydrophobicContact CE2-CG 4.04Å; Y598-M602 HydrophobicContact CE2-SD 4.23Å; Y598-M602 WeakPolarHBondContact O-CG 3.33Å; Y598-M602 PolarHBondContact O-N 3.39Å
599	D	92.3	Very high	89.7	Confident	70 Å²	70	80.8 Å²	80.8	37%	0.374	38%	0.384	S	S	.	.	H	α-helix	trans	-63.1	-41.9	178.2	-73.6	-20.2	0	0	0	111.6	M595 N596 C601 M602 N603	M595-D599 PolarHBondContact O-N 3.45Å; N596-D599 PolarHBondContact O-N 3.3Å; D599-C601 VanDerWaalsContact C-N 3.31Å; D599-C601 PolarHBondContact O-N 3.01Å; D599-M602 PolarHBondContact O-N 3.34Å; D599-N603 WeakPolarHBondContact O-CB 3.31Å; D599-N603 VanDerWaalsContact O-CG 3.25Å; D599-N603 PolarHBondContact O-N 2.86Å; D599-N603 PolarHBondContact O-ND2 2.98Å
600	E	92.2	Very high	89.7	Confident	107 Å²	107	80 Å²	80	50%	0.5	38%	0.38	S	S	.	.	H	α-helix	trans	-62.1	-40.6	174.3	-165	-171.5	158.2	0	0	111.5	N596 Y598 N603 K604	N596-E600 WeakPolarHBondContact O-CB 3.49Å; N596-E600 PolarHBondContact O-N 2.9Å; Y598-E600 PolarHBondContact O-N 2.91Å; E600-N603 PolarHBondContact O-N 3.42Å; E600-K604 WeakPolarHBondContact O-CG 3.47Å; E600-K604 PolarHBondContact O-N 3.41Å; E600-K604 WeakPolarHBondContact OE1-CE 3.44Å; E600-K604 IonicContact OE1-NZ 3.44Å; E600-K604 PolarHBondContact OE1-NZ 3.24Å
601	C	93.5	Very high	89.3	Confident	32 Å²	32	85.6 Å²	85.6	22%	0.216	40%	0.4	C	S	.	.	H	α-helix	trans	-62.5	-48.5	175.7	-170.8	0	0	0	0	111.4	C573 L576 A597 Y598 D599 N603 K604 I605	C573-C601 WeakPolarHBondContact CA-SG 3.47Å; C573-C601 HydrophobicContact CB-CB 3.96Å; C573-C601 WeakPolarHBondContact CB-SG 3.35Å; C573-C601 WeakPolarHBondContact SG-CB 3.17Å; C573-C601 CovalentContact SG-SG 2.03Å; C573-C601 PolarHBondContact SG-SG 2.83Å; L576-C601 HydrophobicContact CD1-CB 3.86Å; A597-C601 VanDerWaalsContact O-CB 3.32Å; A597-C601 WeakPolarHBondContact O-CB 3.42Å; A597-C601 PolarHBondContact O-N 2.95Å; Y598-C601 WeakPolarHBondContact O-CB 3.38Å; Y598-C601 PolarHBondContact O-N 3.44Å; Y598-C601 VanDerWaalsContact O-N 3.17Å; D599-C601 VanDerWaalsContact C-N 3.31Å; D599-C601 PolarHBondContact O-N 3.01Å; C601-N603 PolarHBondContact O-N 2.84Å; C601-K604 PolarHBondContact O-N 3.31Å; C601-I605 WeakPolarHBondContact O-CG1 3.35Å; C601-I605 PolarHBondContact O-N 3.45Å; C601-I605 VanDerWaalsContact O-N 3.1Å
602	M	91.9	Very high	89	Confident	28 Å²	28	83.1 Å²	83.1	14%	0.138	39%	0.39	C	S	.	.	H	α-helix	trans	-64.7	-37.4	178.3	-69.5	-58.6	-66.7	0	0	112.3	E570 C573 Y598 D599 I605 K606	E570-M602 HydrophobicContact CG-CE 3.99Å; E570-M602 HydrophobicContact CG-SD 4.29Å; C573-M602 HydrophobicContact CB-SD 4.11Å; Y598-M602 HydrophobicContact CD1-CG 4.14Å; Y598-M602 HydrophobicContact CD2-CG 4.46Å; Y598-M602 HydrophobicContact CE1-CG 3.69Å; Y598-M602 HydrophobicContact CE2-CG 4.04Å; Y598-M602 HydrophobicContact CE2-SD 4.23Å; Y598-M602 WeakPolarHBondContact O-CG 3.33Å; Y598-M602 PolarHBondContact O-N 3.39Å; D599-M602 PolarHBondContact O-N 3.34Å; M602-I605 PolarHBondContact O-N 3.49Å; M602-I605 HydrophobicContact SD-CD1 4.38Å; M602-K606 WeakPolarHBondContact O-CG 3.24Å; M602-K606 PolarHBondContact O-N 3.2Å
603	N	91	Very high	88.3	Confident	85 Å²	85	80.6 Å²	80.6	46%	0.455	38%	0.38	S	S	.	.	H	α-helix	trans	-65.8	-42.3	176.1	-75.5	-26.8	0	0	0	111.9	D599 E600 C601 I605 K606 E607	D599-N603 WeakPolarHBondContact O-CB 3.31Å; D599-N603 VanDerWaalsContact O-CG 3.25Å; D599-N603 PolarHBondContact O-N 2.86Å; D599-N603 PolarHBondContact O-ND2 2.98Å; E600-N603 PolarHBondContact O-N 3.42Å; C601-N603 PolarHBondContact O-N 2.84Å; N603-I605 VanDerWaalsContact C-N 3.27Å; N603-I605 PolarHBondContact O-N 3.02Å; N603-K606 PolarHBondContact O-N 3.07Å; N603-K606 VanDerWaalsContact O-N 3.16Å; N603-E607 WeakPolarHBondContact O-CG 3.09Å; N603-E607 PolarHBondContact O-N 3.47Å
604	K	89.6	Confident	87.5	Confident	112 Å²	112	82.2 Å²	82.2	49%	0.487	38%	0.382	S	S	.	.	H	α-helix	trans	-61.4	-36.1	173.7	-74.9	173.9	-174.8	164.4	0	112.4	E600 C601 R608	E600-K604 WeakPolarHBondContact O-CG 3.47Å; E600-K604 PolarHBondContact O-N 3.41Å; E600-K604 WeakPolarHBondContact OE1-CE 3.44Å; E600-K604 IonicContact OE1-NZ 3.44Å; E600-K604 PolarHBondContact OE1-NZ 3.24Å; C601-K604 PolarHBondContact O-N 3.31Å; K604-R608 WeakPolarHBondContact O-CB 3.48Å; K604-R608 PolarHBondContact O-N 3.38Å
605	I	88.9	Confident	86.7	Confident	20 Å²	20	84.1 Å²	84.1	10%	0.103	39%	0.392	C	S	.	.	H	α-helix	trans	-66.3	-47.5	173	-68.5	170.8	0	0	0	110.5	A569 E570 C573 C601 M602 N603 E607 R608 E609	A569-I605 VanDerWaalsContact C-CD1 3.46Å; A569-I605 HydrophobicContact CB-CD1 4.38Å; A569-I605 HydrophobicContact CB-CG1 4.27Å; A569-I605 HydrophobicContact CB-CG2 3.75Å; A569-I605 WeakPolarHBondContact O-CD1 3.35Å; E570-I605 HydrophobicContact CG-CD1 4.37Å; C573-I605 WeakPolarHBondContact SG-CD1 3.5Å; C601-I605 WeakPolarHBondContact O-CG1 3.35Å; C601-I605 PolarHBondContact O-N 3.45Å; C601-I605 VanDerWaalsContact O-N 3.1Å; M602-I605 PolarHBondContact O-N 3.49Å; M602-I605 HydrophobicContact SD-CD1 4.38Å; N603-I605 VanDerWaalsContact C-N 3.27Å; N603-I605 PolarHBondContact O-N 3.02Å; I605-E607 VanDerWaalsContact C-N 3.25Å; I605-E607 PolarHBondContact O-N 3.03Å; I605-R608 PolarHBondContact O-N 2.67Å; I605-R608 VanDerWaalsContact O-N 3.17Å; I605-E609 HydrophobicContact CG2-CG 4.5Å; I605-E609 WeakPolarHBondContact O-CB 3.4Å; I605-E609 PolarHBondContact O-N 2.99Å
606	K	87	Confident	86	Confident	117 Å²	117	82.9 Å²	82.9	51%	0.509	39%	0.386	S	S	.	.	H	α-helix	trans	-58.4	-37.3	177.4	-77	178.9	-179.5	176.3	0	112.4	M602 N603 Q610 L613	M602-K606 WeakPolarHBondContact O-CG 3.24Å; M602-K606 PolarHBondContact O-N 3.2Å; N603-K606 PolarHBondContact O-N 3.07Å; N603-K606 VanDerWaalsContact O-N 3.16Å; K606-Q610 WeakPolarHBondContact O-CA 3.42Å; K606-Q610 WeakPolarHBondContact O-CB 2.86Å; K606-Q610 PolarHBondContact O-N 3.32Å; K606-L613 HydrophobicContact CB-CD1 4.26Å; K606-L613 HydrophobicContact CG-CD1 3.98Å
607	E	84.6	Confident	85.2	Confident	148 Å²	148	81.8 Å²	81.8	69%	0.692	38%	0.377	S	S	*	.	H	α-helix	trans	-68.4	-46.6	174.8	-73.3	178.8	173.2	0	0	111.8	N603 I605	N603-E607 WeakPolarHBondContact O-CG 3.09Å; N603-E607 PolarHBondContact O-N 3.47Å; I605-E607 VanDerWaalsContact C-N 3.25Å; I605-E607 PolarHBondContact O-N 3.03Å
608	R	84.2	Confident	84.2	Confident	210 Å²	210	84.8 Å²	84.8	79%	0.792	39%	0.385	S	S	*	.	H	α-helix	trans	-67.4	-40.8	-178.9	-169.6	-176.4	-70.4	-179.2	-2	112.4	K604 I605	K604-R608 WeakPolarHBondContact O-CB 3.48Å; K604-R608 PolarHBondContact O-N 3.38Å; I605-R608 PolarHBondContact O-N 2.67Å; I605-R608 VanDerWaalsContact O-N 3.17Å
609	E	86.3	Confident	83.2	Confident	23 Å²	23	83.1 Å²	83.1	11%	0.107	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	17.6	-178	-65.2	-60.2	149.3	0	0	112.4	R565 A569 I605 K611 S612 L613	R565-E609 IonicContact CZ-OE2 3.65Å; R565-E609 IonicContact NE-OE2 2.75Å; R565-E609 IonicContact NH2-OE1 2.82Å; R565-E609 PolarHBondContact NH2-OE1 3.08Å; R565-E609 IonicContact NH2-OE2 3.43Å; R565-E609 PolarHBondContact NH2-OE2 3.42Å; A569-E609 HydrophobicContact CB-CG 4.23Å; I605-E609 HydrophobicContact CG2-CG 4.5Å; I605-E609 WeakPolarHBondContact O-CB 3.4Å; I605-E609 PolarHBondContact O-N 2.99Å; E609-K611 PolarHBondContact O-N 2.86Å; E609-K611 VanDerWaalsContact O-N 3.14Å; E609-S612 WeakPolarHBondContact O-CA 3.25Å; E609-S612 WeakPolarHBondContact O-CB 3.33Å; E609-S612 PolarHBondContact O-N 2.88Å; E609-S612 VanDerWaalsContact OE2-CB 3.28Å; E609-S612 WeakPolarHBondContact OE2-CB 3.26Å; E609-S612 PolarHBondContact OE2-OG 3.49Å; E609-L613 PolarHBondContact O-N 3.35Å
610	Q	85.8	Confident	82.4	Confident	100 Å²	100	85.8 Å²	85.8	47%	0.467	39%	0.385	S	S	.	.	H	α-helix	trans	-55.4	-39.4	-176.4	-161.4	-173.3	18.6	0	0	112.1	K606 R614	K606-Q610 WeakPolarHBondContact O-CA 3.42Å; K606-Q610 WeakPolarHBondContact O-CB 2.86Å; K606-Q610 PolarHBondContact O-N 3.32Å; Q610-R614 WeakPolarHBondContact O-CG 3.28Å; Q610-R614 PolarHBondContact O-N 2.98Å
611	K	79.7	Confident	81.2	Confident	173 Å²	173	84.4 Å²	84.4	75%	0.752	38%	0.383	S	S	*	.	H	α-helix	trans	-66.9	-42.5	177	-170.3	179.1	179.9	-177	0	111.6	E609 R614 L615	E609-K611 PolarHBondContact O-N 2.86Å; E609-K611 VanDerWaalsContact O-N 3.14Å; K611-R614 PolarHBondContact O-N 3.31Å; K611-L615 PolarHBondContact O-N 3.39Å
612	S	79.7	Confident	80.1	Confident	8 Å²	8	87.9 Å²	87.9	6%	0.056	40%	0.395	C	S	.	.	H	α-helix	trans	-65	-42.9	178.5	-53.5	0	0	0	0	111.2	R565 E609 L615 Q616	R565-S612 PolarHBondContact NH2-OG 3.2Å; E609-S612 WeakPolarHBondContact O-CA 3.25Å; E609-S612 WeakPolarHBondContact O-CB 3.33Å; E609-S612 PolarHBondContact O-N 2.88Å; E609-S612 VanDerWaalsContact OE2-CB 3.28Å; E609-S612 WeakPolarHBondContact OE2-CB 3.26Å; E609-S612 PolarHBondContact OE2-OG 3.49Å; S612-L615 PolarHBondContact O-N 3.41Å; S612-Q616 VanDerWaalsContact O-CB 3.31Å; S612-Q616 WeakPolarHBondContact O-CB 3.43Å; S612-Q616 PolarHBondContact O-N 2.6Å
613	L	77.2	Confident	79.1	Confident	57 Å²	57	90.6 Å²	90.6	30%	0.298	40%	0.404	S	S	.	.	H	α-helix	trans	-63.2	-44	175.5	-76.5	165.2	0	0	0	112.2	I566 K606 E609 L615 Q616 E617	I566-L613 HydrophobicContact CD1-CD2 3.65Å; I566-L613 HydrophobicContact CD1-CG 4.05Å; I566-L613 HydrophobicContact CG1-CD2 4.36Å; K606-L613 HydrophobicContact CB-CD1 4.26Å; K606-L613 HydrophobicContact CG-CD1 3.98Å; E609-L613 PolarHBondContact O-N 3.35Å; L613-L615 VanDerWaalsContact C-N 3.35Å; L613-L615 PolarHBondContact O-N 3.36Å; L613-Q616 PolarHBondContact O-N 3.43Å; L613-E617 WeakPolarHBondContact O-CB 3.42Å; L613-E617 PolarHBondContact O-N 2.9Å
614	R	74.1	Confident	77.9	Confident	160 Å²	160	88.5 Å²	88.5	60%	0.604	40%	0.402	S	S	*	.	H	α-helix	trans	-61.4	-43.8	175	-74.6	-173.8	-141.6	174.5	4.9	111.8	Q610 K611 E617 E618	Q610-R614 WeakPolarHBondContact O-CG 3.28Å; Q610-R614 PolarHBondContact O-N 2.98Å; K611-R614 PolarHBondContact O-N 3.31Å; R614-E617 PolarHBondContact O-N 3.29Å; R614-E618 WeakPolarHBondContact O-CB 3.42Å; R614-E618 PolarHBondContact O-N 3.46Å
615	L	73	Confident	76.7	Confident	64 Å²	64	87.4 Å²	87.4	34%	0.335	41%	0.405	S	S	.	.	H	α-helix	trans	-67.5	-40.8	179.3	-145.6	85.1	0	0	0	111.3	L558 L562 K611 S612 L613 E617 E618 L619	L558-L615 HydrophobicContact CD2-CD2 4Å; L562-L615 HydrophobicContact CD1-CB 4Å; L562-L615 HydrophobicContact CD1-CD2 3.95Å; L562-L615 HydrophobicContact CD1-CG 4.4Å; K611-L615 PolarHBondContact O-N 3.39Å; S612-L615 PolarHBondContact O-N 3.41Å; L613-L615 VanDerWaalsContact C-N 3.35Å; L613-L615 PolarHBondContact O-N 3.36Å; L615-E617 VanDerWaalsContact C-N 3.32Å; L615-E617 PolarHBondContact O-N 2.97Å; L615-E618 PolarHBondContact O-N 2.9Å; L615-L619 WeakPolarHBondContact O-CB 3.46Å; L615-L619 VanDerWaalsContact O-CG 3.23Å; L615-L619 WeakPolarHBondContact O-CG 3.19Å; L615-L619 PolarHBondContact O-N 3.47Å
616	Q	76.6	Confident	75.3	Confident	30 Å²	30	89.2 Å²	89.2	14%	0.14	41%	0.41	C	S	.	.	H	α-helix	trans	-61.7	-42.6	176	-172	-174.8	32.3	0	0	111	Y559 L562 S612 L613 L619 R620	Y559-Q616 HydrophobicContact CD2-CG 3.93Å; Y559-Q616 HydrophobicContact CE2-CG 3.46Å; Y559-Q616 VanDerWaalsContact CE2-CG 3.46Å; L562-Q616 HydrophobicContact CB-CB 4.44Å; L562-Q616 HydrophobicContact CD1-CB 4.33Å; S612-Q616 VanDerWaalsContact O-CB 3.31Å; S612-Q616 WeakPolarHBondContact O-CB 3.43Å; S612-Q616 PolarHBondContact O-N 2.6Å; L613-Q616 PolarHBondContact O-N 3.43Å; Q616-L619 PolarHBondContact O-N 2.97Å; Q616-R620 VanDerWaalsContact O-CB 3.29Å; Q616-R620 WeakPolarHBondContact O-CB 3.37Å; Q616-R620 PolarHBondContact O-N 3.25Å
617	E	75.1	Confident	74.2	Confident	84 Å²	84	87.4 Å²	87.4	39%	0.393	41%	0.406	S	S	.	.	H	α-helix	trans	-66.8	-41.3	177.6	-173.7	59.7	-166.4	0	0	111.8	L613 R614 L615 L619 R620 V621	L613-E617 WeakPolarHBondContact O-CB 3.42Å; L613-E617 PolarHBondContact O-N 2.9Å; R614-E617 PolarHBondContact O-N 3.29Å; L615-E617 VanDerWaalsContact C-N 3.32Å; L615-E617 PolarHBondContact O-N 2.97Å; E617-L619 VanDerWaalsContact C-N 3.34Å; E617-L619 PolarHBondContact O-N 3.14Å; E617-R620 PolarHBondContact O-N 3.36Å; E617-R620 IonicContact OE1-CZ 3.9Å; E617-R620 IonicContact OE1-NE 3.41Å; E617-R620 PolarHBondContact OE1-NE 3.07Å; E617-R620 IonicContact OE1-NH2 2.75Å; E617-R620 PolarHBondContact OE1-NH2 3.45Å; E617-R620 IonicContact OE2-CZ 3.63Å; E617-R620 IonicContact OE2-NE 2.67Å; E617-R620 PolarHBondContact OE2-NE 2.87Å; E617-R620 IonicContact OE2-NH2 3.31Å; E617-R620 PolarHBondContact OE2-NH2 3.39Å; E617-V621 VanDerWaalsContact O-CG2 3.31Å; E617-V621 WeakPolarHBondContact O-CG2 3.45Å; E617-V621 PolarHBondContact O-N 2.88Å
618	E	71.9	Confident	72.8	Confident	98 Å²	98	83.1 Å²	83.1	46%	0.458	39%	0.393	S	S	.	.	H	α-helix	trans	-60.7	-44	174.2	-166.9	-170.3	150.8	0	0	111.6	R614 L615 V621 K622	R614-E618 WeakPolarHBondContact O-CB 3.42Å; R614-E618 PolarHBondContact O-N 3.46Å; L615-E618 PolarHBondContact O-N 2.9Å; E618-V621 PolarHBondContact O-N 3.27Å; E618-K622 HydrophobicContact CG-CD 4.47Å; E618-K622 WeakPolarHBondContact O-CB 3.34Å; E618-K622 WeakPolarHBondContact O-CG 3.31Å; E618-K622 PolarHBondContact O-N 2.86Å; E618-K622 IonicContact OE1-NZ 2.79Å; E618-K622 PolarHBondContact OE1-NZ 2.84Å
619	L	73.1	Confident	71.4	Confident	19 Å²	19	74.6 Å²	74.6	10%	0.099	36%	0.361	C	S	.	.	H	α-helix	trans	-64.5	-40	174.9	-70.4	172.2	0	0	0	111.9	H555 L558 Y559 L562 L615 Q616 E617 K622 R623	H555-L619 VanDerWaalsContact CD2-CD2 3.41Å; H555-L619 WeakPolarHBondContact CD2-CD2 3.1Å; L558-L619 HydrophobicContact CB-CD1 4.44Å; L558-L619 HydrophobicContact CD2-CD1 4.02Å; L558-L619 HydrophobicContact CG-CD1 4.03Å; Y559-L619 HydrophobicContact CD2-CB 4.02Å; L562-L619 HydrophobicContact CD1-CD1 3.7Å; L615-L619 WeakPolarHBondContact O-CB 3.46Å; L615-L619 VanDerWaalsContact O-CG 3.23Å; L615-L619 WeakPolarHBondContact O-CG 3.19Å; L615-L619 PolarHBondContact O-N 3.47Å; Q616-L619 PolarHBondContact O-N 2.97Å; E617-L619 VanDerWaalsContact C-N 3.34Å; E617-L619 PolarHBondContact O-N 3.14Å; L619-K622 PolarHBondContact O-N 2.95Å; L619-R623 WeakPolarHBondContact O-CB 3.37Å; L619-R623 PolarHBondContact O-N 2.9Å
620	R	74	Confident	70.1	Confident	127 Å²	127	75.4 Å²	75.4	48%	0.479	37%	0.365	S	S	.	.	H	α-helix	trans	-64.2	-43.7	177.8	-169.1	-175.5	75.1	87.3	1.3	111.2	Y559 Q616 E617 R623 G624	Y559-R620 HydrophobicContact CE2-CB 4.24Å; Q616-R620 VanDerWaalsContact O-CB 3.29Å; Q616-R620 WeakPolarHBondContact O-CB 3.37Å; Q616-R620 PolarHBondContact O-N 3.25Å; E617-R620 PolarHBondContact O-N 3.36Å; E617-R620 IonicContact OE1-CZ 3.9Å; E617-R620 IonicContact OE1-NE 3.41Å; E617-R620 PolarHBondContact OE1-NE 3.07Å; E617-R620 IonicContact OE1-NH2 2.75Å; E617-R620 PolarHBondContact OE1-NH2 3.45Å; E617-R620 IonicContact OE2-CZ 3.63Å; E617-R620 IonicContact OE2-NE 2.67Å; E617-R620 PolarHBondContact OE2-NE 2.87Å; E617-R620 IonicContact OE2-NH2 3.31Å; E617-R620 PolarHBondContact OE2-NH2 3.39Å; R620-R623 PolarHBondContact O-N 2.75Å; R620-G624 PolarHBondContact O-N 3.25Å
621	V	68.7	Low	68.9	Low	78 Å²	78	77.8 Å²	77.8	47%	0.473	37%	0.371	S	S	.	.	H	α-helix	trans	-65.6	-43.7	176.6	172.1	0	0	0	0	110.8	E617 E618 G624 T625	E617-V621 VanDerWaalsContact O-CG2 3.31Å; E617-V621 WeakPolarHBondContact O-CG2 3.45Å; E617-V621 PolarHBondContact O-N 2.88Å; E618-V621 PolarHBondContact O-N 3.27Å; V621-G624 PolarHBondContact O-N 3.38Å; V621-T625 WeakPolarHBondContact O-CB 3.42Å; V621-T625 WeakPolarHBondContact O-CG2 3.48Å; V621-T625 PolarHBondContact O-N 3.47Å; V621-T625 PolarHBondContact O-OG1 3.15Å
622	K	69.9	Low	67.6	Low	105 Å²	105	73.9 Å²	73.9	46%	0.457	36%	0.355	S	S	.	.	H	α-helix	trans	-63.1	-40.6	175.3	-77.9	174.5	171.8	167.8	0	112.7	E618 L619 T625 W626	E618-K622 HydrophobicContact CG-CD 4.47Å; E618-K622 WeakPolarHBondContact O-CB 3.34Å; E618-K622 WeakPolarHBondContact O-CG 3.31Å; E618-K622 PolarHBondContact O-N 2.86Å; E618-K622 IonicContact OE1-NZ 2.79Å; E618-K622 PolarHBondContact OE1-NZ 2.84Å; L619-K622 PolarHBondContact O-N 2.95Å; K622-T625 WeakPolarHBondContact CA-OG1 3.24Å; K622-T625 PolarHBondContact O-OG1 3.39Å; K622-W626 WeakPolarHBondContact O-CB 3.23Å; K622-W626 PolarHBondContact O-N 2.97Å; K622-W626 VanDerWaalsContact O-N 3.12Å
623	R	70.9	Confident	66.4	Low	85 Å²	85	78.4 Å²	78.4	32%	0.321	37%	0.374	S	S	.	.	H	α-helix	trans	-68.5	-47.4	174.7	176.8	176.9	-90.1	-168.6	-10.5	111.2	E556 L619 R620 T625 W626 D627	E556-R623 IonicContact OE2-NH2 3.41Å; L619-R623 WeakPolarHBondContact O-CB 3.37Å; L619-R623 PolarHBondContact O-N 2.9Å; R620-R623 PolarHBondContact O-N 2.75Å; R623-T625 VanDerWaalsContact C-N 3.27Å; R623-T625 PolarHBondContact O-N 2.87Å; R623-W626 CarbonylContact O-C 3.53Å; R623-W626 WeakPolarHBondContact O-CA 3.34Å; R623-W626 PolarHBondContact O-N 3.38Å; R623-D627 VanDerWaalsContact CG-OD2 3.29Å; R623-D627 WeakPolarHBondContact CG-OD2 3.36Å; R623-D627 WeakPolarHBondContact O-CB 3.32Å; R623-D627 VanDerWaalsContact O-CG 3.29Å; R623-D627 PolarHBondContact O-N 3.4Å
624	G	64.9	Low	65.5	Low	40 Å²	40	79.3 Å²	79.3	41%	0.412	38%	0.379	S	S	.	.	H	α-helix	trans	-61.3	-35.2	179.4	0	0	0	0	0	113.1	R620 V621 S628	R620-G624 PolarHBondContact O-N 3.25Å; V621-G624 PolarHBondContact O-N 3.38Å; G624-S628 VanDerWaalsContact O-CB 3.27Å; G624-S628 WeakPolarHBondContact O-CB 3.44Å; G624-S628 PolarHBondContact O-N 3.26Å
625	T	64.2	Low	64.6	Low	90 Å²	90	75.8 Å²	75.8	55%	0.552	37%	0.37	S	S	*	.	H	α-helix	trans	-68.1	-36.8	172	42.1	0	0	0	0	112.4	V621 K622 R623 F629	V621-T625 WeakPolarHBondContact O-CB 3.42Å; V621-T625 WeakPolarHBondContact O-CG2 3.48Å; V621-T625 PolarHBondContact O-N 3.47Å; V621-T625 PolarHBondContact O-OG1 3.15Å; K622-T625 WeakPolarHBondContact CA-OG1 3.24Å; K622-T625 PolarHBondContact O-OG1 3.39Å; R623-T625 VanDerWaalsContact C-N 3.27Å; R623-T625 PolarHBondContact O-N 2.87Å; T625-F629 WeakPolarHBondContact O-CB 3.38Å; T625-F629 PolarHBondContact O-N 3.17Å
626	W	59.7	Low	63.5	Low	57 Å²	57	75.8 Å²	75.8	22%	0.216	38%	0.375	C	S	.	.	H	α-helix	trans	-73.1	-40.6	175	-168.9	86.7	0	0	0	113.4	E550 P551 K622 R623 F629 Q630	E550-W626 HydrophobicContact CG-CZ2 4.01Å; P551-W626 VanDerWaalsContact CD-CD2 3.45Å; P551-W626 HydrophobicContact CG-CD2 3.71Å; P551-W626 HydrophobicContact CG-CE3 3.68Å; P551-W626 HydrophobicContact CG-CG 4.32Å; P551-W626 HydrophobicContact CG-CH2 3.94Å; P551-W626 HydrophobicContact CG-CZ2 3.99Å; P551-W626 HydrophobicContact CG-CZ3 3.79Å; K622-W626 WeakPolarHBondContact O-CB 3.23Å; K622-W626 PolarHBondContact O-N 2.97Å; K622-W626 VanDerWaalsContact O-N 3.12Å; R623-W626 CarbonylContact O-C 3.53Å; R623-W626 WeakPolarHBondContact O-CA 3.34Å; R623-W626 PolarHBondContact O-N 3.38Å; W626-F629 CarbonylContact O-C 3.55Å; W626-F629 WeakPolarHBondContact O-CA 3.49Å; W626-F629 WeakPolarHBondContact O-CB 3.24Å; W626-F629 PolarHBondContact O-N 3.32Å; W626-F629 VanDerWaalsContact O-N 3.15Å; W626-Q630 HydrophobicContact CD2-CG 3.9Å; W626-Q630 HydrophobicContact CE3-CG 3.74Å; W626-Q630 HydrophobicContact CH2-CG 3.54Å; W626-Q630 HydrophobicContact CZ2-CG 3.67Å; W626-Q630 HydrophobicContact CZ3-CG 3.57Å; W626-Q630 PolarHBondContact O-N 2.79Å
627	D	65.6	Low	62.2	Low	79 Å²	79	77.9 Å²	77.9	42%	0.422	39%	0.386	S	S	.	.	H	α-helix	trans	-65.1	-41.6	176.7	-66.7	-15.4	0	0	0	110.1	R623 F629 Q630 Y631	R623-D627 VanDerWaalsContact CG-OD2 3.29Å; R623-D627 WeakPolarHBondContact CG-OD2 3.36Å; R623-D627 WeakPolarHBondContact O-CB 3.32Å; R623-D627 VanDerWaalsContact O-CG 3.29Å; R623-D627 PolarHBondContact O-N 3.4Å; D627-F629 VanDerWaalsContact C-N 3.3Å; D627-F629 PolarHBondContact O-N 2.99Å; D627-Q630 PolarHBondContact O-N 3.31Å; D627-Y631 VanDerWaalsContact O-CB 3.3Å; D627-Y631 WeakPolarHBondContact O-CB 3.49Å; D627-Y631 PolarHBondContact O-N 3.16Å
628	S	55.1	Low	61.3	Low	59 Å²	59	80.4 Å²	80.4	41%	0.413	40%	0.398	S	S	.	.	H	α-helix	trans	-61.5	-40.1	171.5	-166.5	0	0	0	0	111.4	G624 E632	G624-S628 VanDerWaalsContact O-CB 3.27Å; G624-S628 WeakPolarHBondContact O-CB 3.44Å; G624-S628 PolarHBondContact O-N 3.26Å; S628-E632 WeakPolarHBondContact O-CB 3.43Å; S628-E632 WeakPolarHBondContact O-CG 3.44Å; S628-E632 PolarHBondContact O-N 3.01Å
629	F	52.9	Low	60.3	Low	30 Å²	30	81.2 Å²	81.2	13%	0.132	41%	0.405	C	S	.	.	H	α-helix	trans	-63.7	-44.7	175	163.9	-94.8	0	0	0	112.3	E547 T625 W626 D627 K633	E547-F629 HydrophobicContact CG-CE2 3.95Å; E547-F629 HydrophobicContact CG-CZ 3.92Å; T625-F629 WeakPolarHBondContact O-CB 3.38Å; T625-F629 PolarHBondContact O-N 3.17Å; W626-F629 CarbonylContact O-C 3.55Å; W626-F629 WeakPolarHBondContact O-CA 3.49Å; W626-F629 WeakPolarHBondContact O-CB 3.24Å; W626-F629 PolarHBondContact O-N 3.32Å; W626-F629 VanDerWaalsContact O-N 3.15Å; D627-F629 VanDerWaalsContact C-N 3.3Å; D627-F629 PolarHBondContact O-N 2.99Å; F629-K633 HydrophobicContact CE1-CD 4.32Å; F629-K633 HydrophobicContact CZ-CD 4.24Å; F629-K633 WeakPolarHBondContact O-CB 3.41Å; F629-K633 PolarHBondContact O-N 3.36Å
630	Q	60	Low	58.9	Low	40 Å²	40	81.6 Å²	81.6	19%	0.187	41%	0.411	C	S	.	.	H	α-helix	trans	-67.1	-42	176.8	-74	-64.5	-4.4	0	0	111.3	W626 D627 K633 D634	W626-Q630 HydrophobicContact CD2-CG 3.9Å; W626-Q630 HydrophobicContact CE3-CG 3.74Å; W626-Q630 HydrophobicContact CH2-CG 3.54Å; W626-Q630 HydrophobicContact CZ2-CG 3.67Å; W626-Q630 HydrophobicContact CZ3-CG 3.57Å; W626-Q630 PolarHBondContact O-N 2.79Å; D627-Q630 PolarHBondContact O-N 3.31Å; Q630-K633 PolarHBondContact O-N 2.89Å; Q630-D634 VanDerWaalsContact O-CB 3.23Å; Q630-D634 WeakPolarHBondContact O-CB 3.47Å; Q630-D634 PolarHBondContact O-N 3.27Å
631	Y	59.8	Low	57.8	Low	151 Å²	151	80 Å²	80	59%	0.592	41%	0.412	S	S	*	.	H	α-helix	trans	-59.3	-50.2	177.1	-177.2	-96.4	0	0	0	111.8	D627 K633 D634 E635	D627-Y631 VanDerWaalsContact O-CB 3.3Å; D627-Y631 WeakPolarHBondContact O-CB 3.49Å; D627-Y631 PolarHBondContact O-N 3.16Å; Y631-K633 VanDerWaalsContact C-N 3.29Å; Y631-K633 PolarHBondContact O-N 3.29Å; Y631-D634 PolarHBondContact O-N 3.12Å; Y631-E635 WeakPolarHBondContact CE1-OE2 3.17Å; Y631-E635 WeakPolarHBondContact O-CB 3.46Å; Y631-E635 PolarHBondContact O-N 3.46Å
632	E	52.6	Low	57.1	Low	90 Å²	90	79.2 Å²	79.2	42%	0.421	41%	0.413	S	S	.	.	H	α-helix	trans	-61.5	-38.4	177.2	-74	174	-172.4	0	0	112	S628 S636	S628-E632 WeakPolarHBondContact O-CB 3.43Å; S628-E632 WeakPolarHBondContact O-CG 3.44Å; S628-E632 PolarHBondContact O-N 3.01Å; E632-S636 VanDerWaalsContact O-CB 3.3Å; E632-S636 WeakPolarHBondContact O-CB 3.31Å; E632-S636 PolarHBondContact O-N 2.89Å; E632-S636 VanDerWaalsContact O-N 3.11Å; E632-S636 PolarHBondContact O-OG 3.44Å
633	K	54.9	Low	56	Low	104 Å²	104	77.1 Å²	77.1	45%	0.452	40%	0.404	S	S	.	.	H	α-helix	trans	-68.2	-46.7	177.7	-178	-172.9	171.8	-165.9	0	111.7	F629 Q630 Y631 S636 L637	F629-K633 HydrophobicContact CE1-CD 4.32Å; F629-K633 HydrophobicContact CZ-CD 4.24Å; F629-K633 WeakPolarHBondContact O-CB 3.41Å; F629-K633 PolarHBondContact O-N 3.36Å; Q630-K633 PolarHBondContact O-N 2.89Å; Y631-K633 VanDerWaalsContact C-N 3.29Å; Y631-K633 PolarHBondContact O-N 3.29Å; K633-S636 PolarHBondContact O-N 2.91Å; K633-L637 VanDerWaalsContact O-CB 3.3Å; K633-L637 WeakPolarHBondContact O-CB 3.46Å; K633-L637 PolarHBondContact O-N 2.86Å
634	D	58.4	Low	54.9	Low	75 Å²	75	78.7 Å²	78.7	40%	0.401	41%	0.41	S	S	.	.	H	α-helix	trans	-69.3	-42.3	-178.1	-71.9	-17.2	0	0	0	110.2	Q630 Y631 S636 L637 E638	Q630-D634 VanDerWaalsContact O-CB 3.23Å; Q630-D634 WeakPolarHBondContact O-CB 3.47Å; Q630-D634 PolarHBondContact O-N 3.27Å; Y631-D634 PolarHBondContact O-N 3.12Å; D634-S636 PolarHBondContact O-N 3.4Å; D634-L637 CarbonylContact O-C 3.6Å; D634-L637 PolarHBondContact O-N 3.12Å; D634-E638 VanDerWaalsContact O-CB 3.28Å; D634-E638 WeakPolarHBondContact O-CB 3.44Å; D634-E638 WeakPolarHBondContact O-CG 3.24Å; D634-E638 PolarHBondContact O-N 2.95Å
635	E	54.9	Low	54.3	Low	87 Å²	87	79.9 Å²	79.9	41%	0.407	41%	0.41	S	S	.	.	H	α-helix	trans	-60.3	-45.3	174.2	-175	175.8	-159.7	0	0	111.2	Y631 L637 E638 L639	Y631-E635 WeakPolarHBondContact CE1-OE2 3.17Å; Y631-E635 WeakPolarHBondContact O-CB 3.46Å; Y631-E635 PolarHBondContact O-N 3.46Å; E635-L637 VanDerWaalsContact C-N 3.32Å; E635-L637 PolarHBondContact O-N 3.25Å; E635-E638 PolarHBondContact O-N 3.12Å; E635-L639 HydrophobicContact CG-CD1 4.11Å; E635-L639 WeakPolarHBondContact O-CB 3.46Å; E635-L639 WeakPolarHBondContact O-CG 3.09Å; E635-L639 PolarHBondContact O-N 3.24Å
636	S	50.6	Low	53.6	Low	64 Å²	64	77.9 Å²	77.9	45%	0.448	40%	0.399	S	S	.	.	H	α-helix	trans	-63.7	-38.1	175.6	-59.1	0	0	0	0	112.2	E632 K633 D634 A640	E632-S636 VanDerWaalsContact O-CB 3.3Å; E632-S636 WeakPolarHBondContact O-CB 3.31Å; E632-S636 PolarHBondContact O-N 2.89Å; E632-S636 VanDerWaalsContact O-N 3.11Å; E632-S636 PolarHBondContact O-OG 3.44Å; K633-S636 PolarHBondContact O-N 2.91Å; D634-S636 PolarHBondContact O-N 3.4Å; S636-A640 WeakPolarHBondContact O-CB 3.46Å; S636-A640 PolarHBondContact O-N 3.4Å; S636-A640 VanDerWaalsContact O-N 3.11Å
637	L	50	Low	52.9	Low	73 Å²	73	77.5 Å²	77.5	38%	0.382	40%	0.404	S	S	.	.	H	α-helix	trans	-73.2	-40.5	178.4	-160.2	97.8	0	0	0	111.6	K633 D634 E635 A640 L641	K633-L637 VanDerWaalsContact O-CB 3.3Å; K633-L637 WeakPolarHBondContact O-CB 3.46Å; K633-L637 PolarHBondContact O-N 2.86Å; D634-L637 CarbonylContact O-C 3.6Å; D634-L637 PolarHBondContact O-N 3.12Å; E635-L637 VanDerWaalsContact C-N 3.32Å; E635-L637 PolarHBondContact O-N 3.25Å; L637-A640 PolarHBondContact O-N 3.27Å; L637-L641 HydrophobicContact CD2-CD1 3.73Å; L637-L641 HydrophobicContact CG-CD1 4.04Å; L637-L641 HydrophobicContact CG-CG 4.46Å; L637-L641 VanDerWaalsContact O-CB 3.25Å; L637-L641 WeakPolarHBondContact O-CB 3.41Å; L637-L641 VanDerWaalsContact O-CG 3.22Å; L637-L641 WeakPolarHBondContact O-CG 3.41Å; L637-L641 PolarHBondContact O-N 3.2Å
638	E	54.4	Low	52.2	Low	137 Å²	137	79.2 Å²	79.2	64%	0.64	41%	0.407	S	S	*	.	H	α-helix	trans	-64.7	-45.8	176.5	-81.3	-170.7	168.9	0	0	110.6	D634 E635 A640 L641 A642	D634-E638 VanDerWaalsContact O-CB 3.28Å; D634-E638 WeakPolarHBondContact O-CB 3.44Å; D634-E638 WeakPolarHBondContact O-CG 3.24Å; D634-E638 PolarHBondContact O-N 2.95Å; E635-E638 PolarHBondContact O-N 3.12Å; E638-A640 VanDerWaalsContact C-N 3.33Å; E638-A640 PolarHBondContact O-N 3.15Å; E638-L641 PolarHBondContact O-N 3.01Å; E638-A642 WeakPolarHBondContact O-CB 3.42Å; E638-A642 PolarHBondContact O-N 3.28Å
639	L	51.9	Low	52.2	Low	115 Å²	115	80.5 Å²	80.5	60%	0.602	41%	0.409	S	S	*	.	H	α-helix	trans	-58.2	-45.7	173.1	-84.4	157.8	0	0	0	111.3	E635 F643	E635-L639 HydrophobicContact CG-CD1 4.11Å; E635-L639 WeakPolarHBondContact O-CB 3.46Å; E635-L639 WeakPolarHBondContact O-CG 3.09Å; E635-L639 PolarHBondContact O-N 3.24Å; L639-F643 VanDerWaalsContact O-CB 3.3Å; L639-F643 WeakPolarHBondContact O-CB 3.35Å; L639-F643 PolarHBondContact O-N 2.88Å
640	A	44.1	Very low	52.1	Low	27 Å²	27	81.5 Å²	81.5	22%	0.223	42%	0.423	C	S	.	.	H	α-helix	trans	-65.1	-41.4	177.3	0	0	0	0	0	112.6	M423 S636 L637 E638 W644	M423-A640 HydrophobicContact CE-CB 3.97Å; M423-A640 HydrophobicContact SD-CB 4.45Å; S636-A640 WeakPolarHBondContact O-CB 3.46Å; S636-A640 PolarHBondContact O-N 3.4Å; S636-A640 VanDerWaalsContact O-N 3.11Å; L637-A640 PolarHBondContact O-N 3.27Å; E638-A640 VanDerWaalsContact C-N 3.33Å; E638-A640 PolarHBondContact O-N 3.15Å; A640-W644 WeakPolarHBondContact O-CB 3.04Å; A640-W644 PolarHBondContact O-N 2.03Å
641	L	51.1	Low	51.4	Low	95 Å²	95	83 Å²	83	50%	0.497	43%	0.429	S	S	.	.	H	α-helix	trans	-71.8	-39	178.5	-76.8	170.3	0	0	0	112.2	L637 E638 F643 W644 T645	L637-L641 HydrophobicContact CD2-CD1 3.73Å; L637-L641 HydrophobicContact CG-CD1 4.04Å; L637-L641 HydrophobicContact CG-CG 4.46Å; L637-L641 VanDerWaalsContact O-CB 3.25Å; L637-L641 WeakPolarHBondContact O-CB 3.41Å; L637-L641 VanDerWaalsContact O-CG 3.22Å; L637-L641 WeakPolarHBondContact O-CG 3.41Å; L637-L641 PolarHBondContact O-N 3.2Å; E638-L641 PolarHBondContact O-N 3.01Å; L641-F643 VanDerWaalsContact C-N 3.34Å; L641-W644 PolarHBondContact O-N 3.06Å; L641-T645 VanDerWaalsContact O-CB 3.32Å; L641-T645 WeakPolarHBondContact O-CB 3.32Å; L641-T645 PolarHBondContact O-N 3.05Å; L641-T645 PolarHBondContact O-OG1 3.48Å
642	A	53.4	Low	51.1	Low	61 Å²	61	78.5 Å²	78.5	50%	0.504	42%	0.418	S	S	.	.	H	α-helix	trans	-62.9	-44.2	174.6	0	0	0	0	0	110.1	E638 W644 T645 S646	E638-A642 WeakPolarHBondContact O-CB 3.42Å; E638-A642 PolarHBondContact O-N 3.28Å; A642-W644 PolarHBondContact O-N 3.27Å; A642-T645 PolarHBondContact O-N 3.34Å; A642-S646 WeakPolarHBondContact O-CB 3.39Å; A642-S646 PolarHBondContact O-N 3.17Å
643	F	47.6	Very low	51	Low	60 Å²	60	79.6 Å²	79.6	26%	0.263	43%	0.425	S	S	.	.	H	α-helix	trans	-57.8	-48.2	171.3	-179	-97.7	0	0	0	111.3	M388 L639 L641 T647	M388-F643 HydrophobicContact CE-CE2 4.02Å; L639-F643 VanDerWaalsContact O-CB 3.3Å; L639-F643 WeakPolarHBondContact O-CB 3.35Å; L639-F643 PolarHBondContact O-N 2.88Å; L641-F643 VanDerWaalsContact C-N 3.34Å; F643-T647 WeakPolarHBondContact O-CB 3.49Å; F643-T647 PolarHBondContact O-N 2.88Å; F643-T647 PolarHBondContact O-OG1 3.35Å
644	W	45.9	Very low	50.4	Low	118 Å²	118	77.3 Å²	77.3	45%	0.447	42%	0.418	S	S	.	.	H	α-helix	trans	-66.6	-39.9	-179.2	-146.5	87.9	0	0	0	113.2	K416 A640 L641 A642 T647 K648	K416-W644 HydrophobicContact CD-CZ2 4.33Å; A640-W644 WeakPolarHBondContact O-CB 3.04Å; A640-W644 PolarHBondContact O-N 2.03Å; L641-W644 PolarHBondContact O-N 3.06Å; A642-W644 PolarHBondContact O-N 3.27Å; W644-T647 PolarHBondContact O-N 3.1Å; W644-K648 HydrophobicContact CE3-CB 4.32Å; W644-K648 HydrophobicContact CZ3-CB 4.28Å; W644-K648 HydrophobicContact CZ3-CD 3.99Å; W644-K648 HydrophobicContact CZ3-CG 4.33Å; W644-K648 WeakPolarHBondContact O-CB 3.39Å; W644-K648 PolarHBondContact O-N 3.17Å
645	T	52.8	Low	50	Low	66 Å²	66	80.1 Å²	80.1	41%	0.405	43%	0.429	S	S	.	.	H	α-helix	trans	-69.4	-46.2	178.5	-50.2	0	0	0	0	110.2	L641 A642 T647 K648 D649	L641-T645 VanDerWaalsContact O-CB 3.32Å; L641-T645 WeakPolarHBondContact O-CB 3.32Å; L641-T645 PolarHBondContact O-N 3.05Å; L641-T645 PolarHBondContact O-OG1 3.48Å; A642-T645 PolarHBondContact O-N 3.34Å; T645-T647 PolarHBondContact O-N 2.86Å; T645-K648 PolarHBondContact O-N 3.02Å; T645-K648 VanDerWaalsContact O-N 3.09Å; T645-D649 WeakPolarHBondContact O-CB 3.32Å; T645-D649 VanDerWaalsContact O-CG 3.32Å; T645-D649 PolarHBondContact O-N 3.25Å
646	S	50	Low	50.1	Low	48 Å²	48	81.3 Å²	81.3	34%	0.336	43%	0.434	S	S	.	.	H	α-helix	trans	-56.1	-38.7	173	177	0	0	0	0	111.5	K389 A642 A650	K389-S646 PolarHBondContact NZ-OG 3.47Å; A642-S646 WeakPolarHBondContact O-CB 3.39Å; A642-S646 PolarHBondContact O-N 3.17Å; S646-A650 WeakPolarHBondContact O-CB 3.46Å; S646-A650 PolarHBondContact O-N 3.48Å
647	T	45.1	Very low	50	Low	49 Å²	49	82 Å²	82	30%	0.301	44%	0.436	S	S	.	.	H	α-helix	trans	-69.3	-45.3	176.8	-54	0	0	0	0	111	F643 W644 T645 A650 F651	F643-T647 WeakPolarHBondContact O-CB 3.49Å; F643-T647 PolarHBondContact O-N 2.88Å; F643-T647 PolarHBondContact O-OG1 3.35Å; W644-T647 PolarHBondContact O-N 3.1Å; T645-T647 PolarHBondContact O-N 2.86Å; T647-A650 PolarHBondContact O-N 2.87Å; T647-F651 HydrophobicContact CG2-CD2 3.82Å; T647-F651 HydrophobicContact CG2-CE2 3.51Å; T647-F651 WeakPolarHBondContact O-CD2 3.48Å; T647-F651 PolarHBondContact O-N 2.84Å
648	K	50.7	Low	49.5	Very low	115 Å²	115	81.3 Å²	81.3	50%	0.5	44%	0.437	S	S	.	.	H	α-helix	trans	-65.9	-41.5	178.9	-170.5	-165.2	179.9	-174.8	0	113.1	W644 T645 A650 F651 T652	W644-K648 HydrophobicContact CE3-CB 4.32Å; W644-K648 HydrophobicContact CZ3-CB 4.28Å; W644-K648 HydrophobicContact CZ3-CD 3.99Å; W644-K648 HydrophobicContact CZ3-CG 4.33Å; W644-K648 WeakPolarHBondContact O-CB 3.39Å; W644-K648 PolarHBondContact O-N 3.17Å; T645-K648 PolarHBondContact O-N 3.02Å; T645-K648 VanDerWaalsContact O-N 3.09Å; K648-A650 VanDerWaalsContact C-N 3.34Å; K648-F651 CarbonylContact O-C 3.58Å; K648-F651 WeakPolarHBondContact O-CB 3.26Å; K648-F651 PolarHBondContact O-N 3.44Å; K648-T652 PolarHBondContact O-N 3.48Å; K648-T652 PolarHBondContact O-OG1 3.28Å
649	D	56.2	Low	49.1	Very low	86 Å²	86	77.9 Å²	77.9	46%	0.46	43%	0.426	S	S	.	.	H	α-helix	trans	-65.5	-41.1	177.9	-69.8	-14.3	0	0	0	110.2	T645 F651 T652 L653	T645-D649 WeakPolarHBondContact O-CB 3.32Å; T645-D649 VanDerWaalsContact O-CG 3.32Å; T645-D649 PolarHBondContact O-N 3.25Å; D649-F651 VanDerWaalsContact C-N 3.31Å; D649-F651 PolarHBondContact O-N 2.95Å; D649-T652 PolarHBondContact O-N 2.83Å; D649-L653 WeakPolarHBondContact O-CB 3.35Å; D649-L653 PolarHBondContact O-N 3.24Å
650	A	48.9	Very low	48.8	Very low	51 Å²	51	77.4 Å²	77.4	42%	0.421	42%	0.423	S	S	.	.	H	α-helix	trans	-58.7	-43.4	171.3	0	0	0	0	0	111.5	S646 T647 K648 L654	S646-A650 WeakPolarHBondContact O-CB 3.46Å; S646-A650 PolarHBondContact O-N 3.48Å; T647-A650 PolarHBondContact O-N 2.87Å; K648-A650 VanDerWaalsContact C-N 3.34Å; A650-L654 WeakPolarHBondContact O-CD1 3.37Å; A650-L654 WeakPolarHBondContact O-CG 3.48Å; A650-L654 PolarHBondContact O-N 3.41Å; A650-L654 VanDerWaalsContact O-N 3.16Å
651	F	46.1	Very low	49	Very low	72 Å²	72	82.4 Å²	82.4	32%	0.316	44%	0.442	S	S	.	.	H	α-helix	trans	-65.3	-39.5	174.8	-82	-62.8	0	0	0	113.6	F396 L412 T647 K648 D649 L654 E655	F396-F651 HydrophobicContact CD2-CE1 4.44Å; F396-F651 AromaticContact CE2-CE1 3.8Å; F396-F651 HydrophobicContact CE2-CE1 3.8Å; F396-F651 HydrophobicContact CE2-CZ 4.45Å; F396-F651 HydrophobicContact CZ-CE1 4.23Å; L412-F651 HydrophobicContact CD1-CE1 4.01Å; L412-F651 HydrophobicContact CD1-CZ 4.23Å; L412-F651 HydrophobicContact CD2-CE1 4Å; L412-F651 HydrophobicContact CD2-CE2 4.07Å; L412-F651 HydrophobicContact CD2-CZ 3.43Å; L412-F651 VanDerWaalsContact CD2-CZ 3.43Å; L412-F651 HydrophobicContact CG-CZ 4.49Å; T647-F651 HydrophobicContact CG2-CD2 3.82Å; T647-F651 HydrophobicContact CG2-CE2 3.51Å; T647-F651 WeakPolarHBondContact O-CD2 3.48Å; T647-F651 PolarHBondContact O-N 2.84Å; K648-F651 CarbonylContact O-C 3.58Å; K648-F651 WeakPolarHBondContact O-CB 3.26Å; K648-F651 PolarHBondContact O-N 3.44Å; D649-F651 VanDerWaalsContact C-N 3.31Å; D649-F651 PolarHBondContact O-N 2.95Å; F651-L654 WeakPolarHBondContact O-CB 3.33Å; F651-L654 PolarHBondContact O-N 3.02Å; F651-E655 PolarHBondContact O-N 3.36Å
652	T	54.6	Low	48.3	Very low	56 Å²	56	84.5 Å²	84.5	34%	0.344	45%	0.447	S	S	.	.	H	α-helix	trans	-70.1	-42.8	-178.5	-49.8	0	0	0	0	111.1	K648 D649 L654 E655 E656	K648-T652 PolarHBondContact O-N 3.48Å; K648-T652 PolarHBondContact O-OG1 3.28Å; D649-T652 PolarHBondContact O-N 2.83Å; T652-L654 VanDerWaalsContact C-N 3.26Å; T652-L654 PolarHBondContact O-N 3.16Å; T652-E655 PolarHBondContact O-N 2.67Å; T652-E656 PolarHBondContact O-N 3.12Å
653	L	49.7	Very low	47.6	Very low	112 Å²	112	88 Å²	88	59%	0.586	45%	0.451	S	S	*	.	H	α-helix	trans	-58.4	-39.6	172.3	-84.1	162	0	0	0	111.6	D649 E656 V657	D649-L653 WeakPolarHBondContact O-CB 3.35Å; D649-L653 PolarHBondContact O-N 3.24Å; L653-E656 PolarHBondContact O-N 2.87Å; L653-V657 VanDerWaalsContact O-CG2 3.3Å; L653-V657 WeakPolarHBondContact O-CG2 3.5Å; L653-V657 PolarHBondContact O-N 2.85Å
654	L	42.2	Very low	47.5	Very low	56 Å²	56	90.6 Å²	90.6	29%	0.293	47%	0.467	S	S	.	.	H	α-helix	trans	-62.9	-45.5	174.7	-87.4	156.2	0	0	0	111.9	F396 A650 F651 T652 E656 V657 S658	F396-L654 HydrophobicContact CE1-CD1 4.33Å; A650-L654 WeakPolarHBondContact O-CD1 3.37Å; A650-L654 WeakPolarHBondContact O-CG 3.48Å; A650-L654 PolarHBondContact O-N 3.41Å; A650-L654 VanDerWaalsContact O-N 3.16Å; F651-L654 WeakPolarHBondContact O-CB 3.33Å; F651-L654 PolarHBondContact O-N 3.02Å; T652-L654 VanDerWaalsContact C-N 3.26Å; T652-L654 PolarHBondContact O-N 3.16Å; L654-E656 VanDerWaalsContact C-N 3.33Å; L654-E656 PolarHBondContact O-N 3.31Å; L654-V657 PolarHBondContact O-N 3.07Å; L654-S658 PolarHBondContact O-N 3.3Å; L654-S658 PolarHBondContact O-OG 3.11Å; L654-S658 VanDerWaalsContact O-OG 3.11Å
655	E	49.2	Very low	47.1	Very low	134 Å²	134	90.9 Å²	90.9	63%	0.626	48%	0.477	S	S	*	.	H	α-helix	trans	-61.7	-39	177.6	-160.3	-179.6	-177	0	0	112.2	F651 T652 T659	F651-E655 PolarHBondContact O-N 3.36Å; T652-E655 PolarHBondContact O-N 2.67Å; E655-T659 WeakPolarHBondContact O-CB 3.48Å; E655-T659 VanDerWaalsContact O-CG2 3.28Å; E655-T659 WeakPolarHBondContact O-CG2 3.35Å; E655-T659 PolarHBondContact O-N 3.11Å; E655-T659 PolarHBondContact O-OG1 2.82Å
656	E	56.7	Low	46.5	Very low	113 Å²	113	94.3 Å²	94.3	53%	0.528	49%	0.488	S	S	.	.	H	α-helix	trans	-64.6	-41.6	174.2	-72.5	-174.4	170.4	0	0	112.5	T652 L653 L654 T659 L660	T652-E656 PolarHBondContact O-N 3.12Å; L653-E656 PolarHBondContact O-N 2.87Å; L654-E656 VanDerWaalsContact C-N 3.33Å; L654-E656 PolarHBondContact O-N 3.31Å; E656-T659 WeakPolarHBondContact CA-OG1 3.34Å; E656-T659 PolarHBondContact O-N 3.34Å; E656-T659 PolarHBondContact O-OG1 3.48Å; E656-T659 VanDerWaalsContact O-OG1 3.05Å; E656-L660 WeakPolarHBondContact O-CB 3.3Å; E656-L660 WeakPolarHBondContact O-CG 3.38Å; E656-L660 PolarHBondContact O-N 3.13Å
657	V	48.8	Very low	45.8	Very low	79 Å²	79	99.6 Å²	99.6	48%	0.479	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-47.6	176.6	172	0	0	0	0	110.8	L653 L654 T659 L660 E661	L653-V657 VanDerWaalsContact O-CG2 3.3Å; L653-V657 WeakPolarHBondContact O-CG2 3.5Å; L653-V657 PolarHBondContact O-N 2.85Å; L654-V657 PolarHBondContact O-N 3.07Å; V657-T659 VanDerWaalsContact C-N 3.34Å; V657-T659 PolarHBondContact O-N 3.33Å; V657-L660 PolarHBondContact O-N 3.19Å; V657-E661 PolarHBondContact O-N 2.91Å; V657-E661 VanDerWaalsContact O-N 3.08Å
658	S	41	Very low	45.9	Very low	58 Å²	58	104.4 Å²	104.4	41%	0.406	53%	0.53	S	S	.	.	H	α-helix	trans	-63	-39.7	178.4	-54.6	0	0	0	0	112.2	L654 E661 F662	L654-S658 PolarHBondContact O-N 3.3Å; L654-S658 PolarHBondContact O-OG 3.11Å; L654-S658 VanDerWaalsContact O-OG 3.11Å; S658-E661 PolarHBondContact O-N 3.47Å; S658-F662 PolarHBondContact O-N 3.5Å
659	T	44.7	Very low	45.4	Very low	65 Å²	65	107.1 Å²	107.1	40%	0.399	54%	0.542	S	S	.	.	H	α-helix	trans	-71.8	-32.2	178	53.1	0	0	0	0	113.2	E655 E656 V657 F662 K663	E655-T659 WeakPolarHBondContact O-CB 3.48Å; E655-T659 VanDerWaalsContact O-CG2 3.28Å; E655-T659 WeakPolarHBondContact O-CG2 3.35Å; E655-T659 PolarHBondContact O-N 3.11Å; E655-T659 PolarHBondContact O-OG1 2.82Å; E656-T659 WeakPolarHBondContact CA-OG1 3.34Å; E656-T659 PolarHBondContact O-N 3.34Å; E656-T659 PolarHBondContact O-OG1 3.48Å; E656-T659 VanDerWaalsContact O-OG1 3.05Å; V657-T659 VanDerWaalsContact C-N 3.34Å; V657-T659 PolarHBondContact O-N 3.33Å; T659-F662 PolarHBondContact O-N 3.01Å; T659-K663 WeakPolarHBondContact O-CB 3.46Å; T659-K663 WeakPolarHBondContact O-CG 3.43Å; T659-K663 PolarHBondContact O-N 3.43Å
660	L	45.9	Very low	44.8	Very low	105 Å²	105	110.6 Å²	110.6	55%	0.55	56%	0.56	S	S	.	*	H	α-helix	trans	-64.5	-44.2	171.9	-85.3	162.1	0	0	0	111.7	E656 V657 F662 K663 N664	E656-L660 WeakPolarHBondContact O-CB 3.3Å; E656-L660 WeakPolarHBondContact O-CG 3.38Å; E656-L660 PolarHBondContact O-N 3.13Å; V657-L660 PolarHBondContact O-N 3.19Å; L660-F662 VanDerWaalsContact C-N 3.34Å; L660-K663 PolarHBondContact O-N 3.19Å; L660-N664 WeakPolarHBondContact O-CB 3.32Å; L660-N664 PolarHBondContact O-N 3.13Å; L660-N664 PolarHBondContact O-ND2 3.43Å
661	E	47.4	Very low	44.2	Very low	131 Å²	131	112.1 Å²	112.1	61%	0.612	57%	0.568	S	S	*	*	H	α-helix	trans	-61.9	-43.1	174.4	-72.4	-171.3	160.2	0	0	111.4	V657 S658 N664 L665	V657-E661 PolarHBondContact O-N 2.91Å; V657-E661 VanDerWaalsContact O-N 3.08Å; S658-E661 PolarHBondContact O-N 3.47Å; E661-N664 PolarHBondContact O-N 2.99Å; E661-L665 WeakPolarHBondContact O-CG 3.48Å; E661-L665 PolarHBondContact O-N 3.37Å
662	F	37.3	Very low	43.9	Very low	139 Å²	139	118.2 Å²	118.2	61%	0.61	60%	0.597	S	S	*	*	H	α-helix	trans	-67.7	-40.7	179	-136.1	-86.8	0	0	0	113.1	S658 T659 L660 L665 Q666	S658-F662 PolarHBondContact O-N 3.5Å; T659-F662 PolarHBondContact O-N 3.01Å; L660-F662 VanDerWaalsContact C-N 3.34Å; F662-L665 PolarHBondContact O-N 3.1Å; F662-Q666 PolarHBondContact O-N 2.93Å
663	K	39.9	Very low	43	Very low	134 Å²	134	119.4 Å²	119.4	58%	0.583	61%	0.613	S	S	*	*	H	α-helix	trans	-64.6	-40.6	175.4	-81.5	179.2	-178.2	168.8	0	111.6	T659 L660 L665 Q666 F667	T659-K663 WeakPolarHBondContact O-CB 3.46Å; T659-K663 WeakPolarHBondContact O-CG 3.43Å; T659-K663 PolarHBondContact O-N 3.43Å; L660-K663 PolarHBondContact O-N 3.19Å; K663-L665 VanDerWaalsContact C-N 3.28Å; K663-L665 PolarHBondContact O-N 3.33Å; K663-Q666 PolarHBondContact O-N 2.9Å; K663-F667 WeakPolarHBondContact O-CB 3.48Å; K663-F667 PolarHBondContact O-N 3.25Å
664	N	44.1	Very low	42	Very low	115 Å²	115	124.4 Å²	124.4	62%	0.615	63%	0.63	S	S	*	*	H	α-helix	trans	-63.5	-34.7	175.2	-81.6	-25.9	0	0	0	112.2	L660 E661	L660-N664 WeakPolarHBondContact O-CB 3.32Å; L660-N664 PolarHBondContact O-N 3.13Å; L660-N664 PolarHBondContact O-ND2 3.43Å; E661-N664 PolarHBondContact O-N 2.99Å
665	L	38.7	Very low	41.6	Very low	125 Å²	125	131 Å²	131	65%	0.654	66%	0.657	S	S	*	*	H	α-helix	trans	-70.3	-34.9	174.4	-76.4	162.5	0	0	0	112.9	E661 F662 K663	E661-L665 WeakPolarHBondContact O-CG 3.48Å; E661-L665 PolarHBondContact O-N 3.37Å; F662-L665 PolarHBondContact O-N 3.1Å; K663-L665 VanDerWaalsContact C-N 3.28Å; K663-L665 PolarHBondContact O-N 3.33Å
666	Q	40	Very low	40.8	Very low	137 Å²	137	132 Å²	132	64%	0.64	67%	0.665	S	S	*	*	H	α-helix	trans	-85.8	-34.1	-176.9	-145.1	165.1	14.3	0	0	113.1	F662 K663 N668 K669	F662-Q666 PolarHBondContact O-N 2.93Å; K663-Q666 PolarHBondContact O-N 2.9Å; Q666-N668 PolarHBondContact O-N 2.88Å; Q666-K669 PolarHBondContact O-N 3.22Å
667	F	35.2	Very low	39.6	Very low	160 Å²	160	133.8 Å²	133.8	70%	0.702	68%	0.679	S	S	*	*	H	α-helix	trans	-65.2	-18.5	176.7	-110.1	-87.5	0	0	0	113.6	K663 K669	K663-F667 WeakPolarHBondContact O-CB 3.48Å; K663-F667 PolarHBondContact O-N 3.25Å; F667-K669 VanDerWaalsContact C-N 3.31Å; F667-K669 PolarHBondContact O-N 2.72Å
668	N	45.7	Very low	39.2	Very low	149 Å²	149	135 Å²	135	80%	0.797	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	0.5	-178.5	-124.7	-20	0	0	0	114.5	Q666	Q666-N668 PolarHBondContact O-N 2.88Å
669	K	41.4	Very low	38.6	Very low	173 Å²	173	138.8 Å²	138.8	75%	0.752	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-31.2	-179.5	-84.3	-175.5	175.9	174.5	0	115.4	Q666 F667	Q666-K669 PolarHBondContact O-N 3.22Å; F667-K669 VanDerWaalsContact C-N 3.31Å; F667-K669 PolarHBondContact O-N 2.72Å
670	D	44.3	Very low	38.3	Very low	159 Å²	159	146.1 Å²	146.1	85%	0.85	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.5	4	-163.6	-72.5	-34.5	0	0	0	118.7
671	S	35.2	Very low	37.9	Very low	83 Å²	83	148.2 Å²	148.2	58%	0.58	75%	0.75	S	S	*	*			trans	-129.7	101.9	175.9	74.7	0	0	0	0	114.8	A673	S671-A673 PolarHBondContact O-N 2.69Å
672	Q	40.6	Very low	37.4	Very low	199 Å²	199	149.1 Å²	149.1	93%	0.93	76%	0.757	S	S	*	*			trans	-65.9	109.8	154.5	-76.2	-179.5	-7	0	0	108.8
673	A	34.1	Very low	37.4	Very low	82 Å²	82	149.6 Å²	149.6	68%	0.678	77%	0.766	S	S	*	*			trans	61.2	99.8	160.7	0	0	0	0	0	118.2	S671	S671-A673 PolarHBondContact O-N 2.69Å
674	F	30.2	Very low	37.2	Very low	216 Å²	216	150.5 Å²	150.5	95%	0.947	78%	0.776	S	S	*	*			trans	-148.4	142.9	140	-94.3	-76.7	0	0	0	111.8
675	K	32.9	Very low	36.8	Very low	196 Å²	196	152.8 Å²	152.8	85%	0.852	79%	0.786	S	S	*	*			trans	-60.8	140	-178.5	-93.8	175.6	166.6	-177.4	0	112.5
676	L	33.1	Very low	36.7	Very low	155 Å²	155	154.6 Å²	154.6	81%	0.812	80%	0.795	S	S	*	*			trans	-88.5	108.8	169.7	-156.1	84.3	0	0	0	108.8	V678	L676-V678 HydrophobicContact CD2-CG2 3.49Å; L676-V678 VanDerWaalsContact CD2-CG2 3.49Å; L676-V678 HydrophobicContact CG-CG2 3.95Å
677	D	31.2	Very low	36.4	Very low	150 Å²	150	155.9 Å²	155.9	80%	0.802	81%	0.806	S	S	*	*			trans	-89.8	103.1	163.5	-75.8	-34.8	0	0	0	107.4
678	V	39.3	Very low	36.5	Very low	105 Å²	105	155.5 Å²	155.5	64%	0.636	81%	0.814	S	S	*	*			trans	-87.4	108.2	172.9	-178.2	0	0	0	0	107.4	L676 I680	L676-V678 HydrophobicContact CD2-CG2 3.49Å; L676-V678 VanDerWaalsContact CD2-CG2 3.49Å; L676-V678 HydrophobicContact CG-CG2 3.95Å; V678-I680 HydrophobicContact CG1-CG1 4.23Å
679	V	29.4	Very low	35.8	Very low	137 Å²	137	156.1 Å²	156.1	83%	0.83	82%	0.816	S	S	*	*			trans	-88.4	113.4	164.9	-178.7	0	0	0	0	106.7
680	I	37.5	Very low	35.3	Very low	218 Å²	218	154.5 Å²	154.5	100%	1.118	82%	0.821	S	S	*	*			trans	-81.4	0	163.3	-62.1	176.6	0	0	0	108.2	V678	V678-I680 HydrophobicContact CG1-CG1 4.23Å

Retrieved 680 of 680 residues in 197.6 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).