PDE4B_HUMAN Loading...

3',5'-cyclic-AMP phosphodiesterase 4B

Hydrolyzes the second messenger cAMP, which is a key regulator of many important physiological processes¹. May be involved in mediating central nervous system effects of therapeutic agents ranging from antidepressants to antiasthmatic and anti-inflammatory agents.

AlphaFold DB , UniProt , Accession Q07343, Species HUMAN (Homo sapiens, Human), Gene PDE4B, Length 736 aa.

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(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	34.9	Very low	35.9	Very low	251 Å²	251	169.9 Å²	169.9	100%	1.236	88%	0.876	S	S	*	*				0	113.4	0	-68.3	172.5	152.7	0	0	106.2
2	K	39.8	Very low	35.4	Very low	210 Å²	210	162.7 Å²	162.7	91%	0.913	86%	0.86	S	S	*	*			cis	-124.4	139.3	14.7	-74.1	166	168.3	172.9	0	109.2
3	K	31.9	Very low	35.5	Very low	208 Å²	208	161.8 Å²	161.8	90%	0.904	86%	0.856	S	S	*	*			trans	-94.5	144.2	163.5	-90.9	176.8	172.1	174.9	0	107.8
4	S	43.9	Very low	35.4	Very low	131 Å²	131	159.9 Å²	159.9	92%	0.916	85%	0.847	S	S	*	*			trans	-129.2	125.4	156.5	-82.5	0	0	0	0	108.7
5	R	34.4	Very low	35.3	Very low	241 Å²	241	158.5 Å²	158.5	91%	0.909	84%	0.84	S	S	*	*			trans	-116.4	134.7	176.8	-120.4	-176.1	175.8	-176	-3.1	105.5
6	S	44.4	Very low	35.3	Very low	119 Å²	119	156.6 Å²	156.6	83%	0.832	84%	0.836	S	S	*	*			trans	-134	94.8	160.9	-173.1	0	0	0	0	104.9
7	V	39.7	Very low	35.2	Very low	132 Å²	132	158.2 Å²	158.2	80%	0.8	83%	0.834	S	S	*	*				62.3	113.5	89.1	-174.5	0	0	0	0	113.5
8	M	28.8	Very low	35	Very low	152 Å²	152	157.3 Å²	157.3	75%	0.749	83%	0.83	S	S	*	*			trans	-63.7	160.8	179	-69.5	160.8	63.5	0	0	114.4	V10	M8-V10 HydrophobicContact CE-CG2 3.36Å
9	T	32.8	Very low	34.8	Very low	139 Å²	139	161.7 Å²	161.7	85%	0.853	84%	0.836	S	S	*	*			trans	-135.8	124.5	143	-58.7	0	0	0	0	108.2
10	V	29.8	Very low	34.6	Very low	100 Å²	100	163 Å²	163	61%	0.606	84%	0.835	S	S	*	*			trans	-108.1	137.2	174.7	167.1	0	0	0	0	107	M8	M8-V10 HydrophobicContact CE-CG2 3.36Å
11	M	34.6	Very low	34.4	Very low	186 Å²	186	163.4 Å²	163.4	92%	0.916	83%	0.833	S	S	*	*			trans	-126.4	132.9	157	-77.7	-74.4	-167.8	0	0	107.3
12	A	30.5	Very low	34	Very low	83 Å²	83	156.6 Å²	156.6	69%	0.686	81%	0.809	S	S	*	*			trans	-115	144.4	178.3	0	0	0	0	0	108.8
13	D	35.6	Very low	33.4	Very low	152 Å²	152	151.1 Å²	151.1	81%	0.813	80%	0.797	S	S	*	*			trans	-170.3	108.4	150.1	-100.2	-20.4	0	0	0	105.3
14	D	34.5	Very low	33.4	Very low	135 Å²	135	149.2 Å²	149.2	72%	0.722	80%	0.796	S	S	*	*				92.7	117.4	72.5	-101.5	9.1	0	0	0	113.8
15	N	33.6	Very low	32.6	Very low	138 Å²	138	147.7 Å²	147.7	74%	0.738	79%	0.786	S	S	*	*			trans	92.4	131.9	141.5	-81.9	-52.9	0	0	0	123.7
16	V	36.2	Very low	32.5	Very low	128 Å²	128	146.3 Å²	146.3	78%	0.776	79%	0.786	S	S	*	*			trans	108.2	87.8	146.9	-158.8	0	0	0	0	119.6
17	K	34	Very low	31.8	Very low	185 Å²	185	145.5 Å²	145.5	80%	0.804	78%	0.78	S	S	*	*				29	126.4	124.4	-70.2	-178.8	174.5	179.5	0	122.5
18	D	30.8	Very low	31.4	Very low	142 Å²	142	150.7 Å²	150.7	76%	0.759	79%	0.787	S	S	*	*			trans	31.6	125.5	134.1	-61.6	-30.2	0	0	0	120.3
19	Y	31.7	Very low	31.4	Very low	240 Å²	240	148.9 Å²	148.9	94%	0.941	79%	0.79	S	S	*	*				-161.5	131.4	128.7	-100.8	-75.1	0	0	0	111.5
20	F	30	Very low	31.3	Very low	187 Å²	187	148 Å²	148	82%	0.82	79%	0.789	S	S	*	*			trans	-85.9	153.7	174.5	-121	-97.7	0	0	0	111.2
21	E	30.1	Very low	31.2	Very low	173 Å²	173	148.5 Å²	148.5	81%	0.808	80%	0.797	S	S	*	*			trans	81.4	124.2	146.4	-109.6	174.4	-166.1	0	0	123.7
22	C	27.3	Very low	31	Very low	108 Å²	108	145.2 Å²	145.2	73%	0.73	79%	0.792	S	S	*	*			trans	90.3	107.8	131	-136.5	0	0	0	0	121.8
23	S	26.5	Very low	30.7	Very low	94 Å²	94	149 Å²	149	66%	0.657	80%	0.801	S	S	*	*			trans	55	121	136	66.9	0	0	0	0	120.7
24	L	32.3	Very low	30.5	Very low	169 Å²	169	148.6 Å²	148.6	89%	0.885	80%	0.804	S	S	*	*				-172.7	139	115.7	-104	142.2	0	0	0	112.5
25	S	28	Very low	30.1	Very low	99 Å²	99	150.8 Å²	150.8	69%	0.692	82%	0.815	S	S	*	*			trans	-63.2	153.5	-175.7	42.3	0	0	0	0	115.7
26	K	32.4	Very low	29.8	Very low	211 Å²	211	147.4 Å²	147.4	92%	0.917	81%	0.812	S	S	*	*			trans	-144.8	114.8	141.1	-103.6	177.7	-174.2	176.2	0	110.1
27	S	28.8	Very low	29.5	Very low	102 Å²	102	148.3 Å²	148.3	71%	0.713	81%	0.811	S	S	*	*			trans	-75.3	143.3	173.9	37.3	0	0	0	0	111.9
28	Y	31.2	Very low	29.2	Very low	241 Å²	241	146.4 Å²	146.4	95%	0.945	81%	0.81	S	S	*	*			trans	-134	120.9	142.7	-98.8	-85.3	0	0	0	108
29	S	28.2	Very low	29.4	Very low	114 Å²	114	147.3 Å²	147.3	80%	0.797	81%	0.814	S	S	*	*			trans	-93.3	131.9	178.7	46.9	0	0	0	0	110.3
30	S	31.3	Very low	29.4	Very low	120 Å²	120	147.9 Å²	147.9	84%	0.839	82%	0.815	S	S	*	*			trans	-139.9	119.2	144	71.2	0	0	0	0	109.6
31	S	27.6	Very low	29.3	Very low	111 Å²	111	149 Å²	149	78%	0.776	81%	0.814	S	S	*	*			trans	-75	131.5	179.9	45.6	0	0	0	0	112.9
32	S	30.2	Very low	29.2	Very low	117 Å²	117	144 Å²	144	82%	0.818	81%	0.809	S	S	*	*			trans	-148.3	120	153.2	-57.6	0	0	0	0	108.7
33	N	25	Very low	29.2	Very low	164 Å²	164	150.4 Å²	150.4	88%	0.877	82%	0.817	S	S	*	*			trans	-79.7	128.5	179.7	-64.6	-45.2	0	0	0	110.5
34	T	31.4	Very low	29.5	Very low	142 Å²	142	153.7 Å²	153.7	87%	0.871	82%	0.815	S	S	*	*			trans	-145.6	121	154.1	25.3	0	0	0	0	109.5
35	L	25.9	Very low	29.5	Very low	182 Å²	182	151.5 Å²	151.5	95%	0.953	81%	0.813	S	S	*	*			trans	-74.5	135.7	178.4	-74.1	149.1	0	0	0	110.1
36	G	27.3	Very low	29.6	Very low	66 Å²	66	152.5 Å²	152.5	68%	0.68	82%	0.819	S	S	*	*			trans	104.2	89	158.4	0	0	0	0	0	115.5
37	I	30.5	Very low	29.6	Very low	147 Å²	147	148.4 Å²	148.4	75%	0.754	82%	0.816	S	S	*	*			trans	-164.3	90.4	148.5	-76.5	123.8	0	0	0	104.4
38	D	27.7	Very low	29.7	Very low	146 Å²	146	146.6 Å²	146.6	78%	0.781	81%	0.814	S	S	*	*			trans	-154.5	73.3	171.7	-85.9	-38	0	0	0	109.1
39	L	33.3	Very low	29.7	Very low	160 Å²	160	142.9 Å²	142.9	84%	0.838	81%	0.81	S	S	*	*	S	Bend	trans	-147.3	0.2	166.3	-113.8	128.2	0	0	0	115.9
40	W	32.3	Very low	30.1	Very low	252 Å²	252	145.7 Å²	145.7	96%	0.955	82%	0.815	S	S	*	*	S	Bend	trans	-128.9	8.9	-179.8	-71.8	92.6	0	0	0	115.2	G42	W40-G42 VanDerWaalsContact C-N 3.28Å; W40-G42 PolarHBondContact O-N 3.4Å; W40-G42 VanDerWaalsContact O-N 3.08Å
41	R	28.7	Very low	30.6	Very low	212 Å²	212	148.8 Å²	148.8	80%	0.8	82%	0.817	S	S	*	*			trans	-89.3	62.6	177.5	-138	-173.9	-71.5	-100	4.3	111	R43	R41-R43 PolarHBondContact O-N 2.78Å
42	G	27.9	Very low	31.4	Very low	68 Å²	68	146.8 Å²	146.8	70%	0.701	80%	0.797	S	S	*	*			trans	-67.6	125.4	170.1	0	0	0	0	0	110.6	W40 R44	W40-G42 VanDerWaalsContact C-N 3.28Å; W40-G42 PolarHBondContact O-N 3.4Å; W40-G42 VanDerWaalsContact O-N 3.08Å; G42-R44 PolarHBondContact O-N 3.15Å; G42-R44 VanDerWaalsContact O-N 3.17Å
43	R	27.6	Very low	32.2	Very low	241 Å²	241	144.2 Å²	144.2	91%	0.909	78%	0.777	S	S	*	*			trans	-57.3	118.4	172.6	-78.5	179	-176.6	-120.7	0	109.4	R41 C45	R41-R43 PolarHBondContact O-N 2.78Å; R43-C45 PolarHBondContact O-N 3.3Å
44	R	31.6	Very low	33.5	Very low	163 Å²	163	140.2 Å²	140.2	62%	0.615	76%	0.76	S	S	*	*			trans	-57.9	108.4	169.9	-74.9	-175.8	-117.6	-162.3	-3	109.7	G42 Q639	G42-R44 PolarHBondContact O-N 3.15Å; G42-R44 VanDerWaalsContact O-N 3.17Å; R44-Q639 VanDerWaalsContact CZ-OE1 3.23Å
45	C	32.3	Very low	34.2	Very low	123 Å²	123	136 Å²	136	83%	0.831	73%	0.732	S	S	*	*			trans	-89	128.3	172.4	-80.4	0	0	0	0	109.7	R43	R43-C45 PolarHBondContact O-N 3.3Å
46	C	31.4	Very low	35.2	Very low	121 Å²	121	131.8 Å²	131.8	82%	0.818	72%	0.718	S	S	*	*			trans	-48	152.4	175.9	-56.8	0	0	0	0	113.6	G48	C46-G48 PolarHBondContact O-N 3.38Å
47	S	30.6	Very low	36.5	Very low	124 Å²	124	134.8 Å²	134.8	87%	0.867	72%	0.715	S	S	*	*			trans	-44.5	98.8	165.4	-50.4	0	0	0	0	111.4
48	G	31.4	Very low	37.5	Very low	65 Å²	65	128.8 Å²	128.8	67%	0.67	68%	0.682	S	S	*	*			trans	-104.3	155.2	171.1	0	0	0	0	0	110.1	C46	C46-G48 PolarHBondContact O-N 3.38Å
49	N	31.5	Very low	38.4	Very low	162 Å²	162	128.2 Å²	128.2	87%	0.866	68%	0.675	S	S	*	*	S	Bend	trans	-48.8	142.1	174	-77.5	-40.3	0	0	0	111.3	Q51	N49-Q51 PolarHBondContact O-N 3.14Å
50	L	37.5	Very low	38.9	Very low	173 Å²	173	125.2 Å²	125.2	91%	0.906	67%	0.667	S	S	*	*			trans	-35.7	102.1	172.4	-94.4	152.1	0	0	0	111.4
51	Q	40.4	Very low	39.3	Very low	186 Å²	186	120.7 Å²	120.7	87%	0.869	66%	0.657	S	S	*	*			trans	-102.5	96.6	173.4	-153.5	161.9	4	0	0	107	N49	N49-Q51 PolarHBondContact O-N 3.14Å
52	L	44.2	Very low	39.9	Very low	69 Å²	69	120.3 Å²	120.3	36%	0.361	66%	0.655	S	S	.	*	P	Polyproline II helix	trans	-49.6	134.7	174.1	-89.7	-179.4	0	0	0	110.4	E225 W228	L52-E225 WeakPolarHBondContact CD1-OE2 3.47Å; L52-W228 HydrophobicContact CD2-CH2 4.08Å; L52-W228 HydrophobicContact CD2-CZ3 3.79Å
53	P	48.2	Very low	40.1	Very low	62 Å²	62	121.1 Å²	121.1	40%	0.403	66%	0.655	S	S	.	*	P	Polyproline II helix	trans	-56.3	144.3	-178.9	14.7	-27.7	0	0	0	111.1	R58	P53-R58 VanDerWaalsContact CD-NH2 3.28Å; P53-R58 VanDerWaalsContact O-CZ 3.31Å; P53-R58 PolarHBondContact O-NE 2.67Å; P53-R58 PolarHBondContact O-NH2 2.94Å
54	P	52.6	Low	40.3	Very low	80 Å²	80	120.8 Å²	120.8	52%	0.519	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-52.7	141.2	-175.5	-23.7	31.8	0	0	0	112.5	S56 Q57	P54-S56 PolarHBondContact O-N 3.38Å; P54-Q57 PolarHBondContact O-N 3.02Å
55	L	45.9	Very low	40.3	Very low	53 Å²	53	118.8 Å²	118.8	28%	0.277	66%	0.66	S	S	.	*	H	α-helix	trans	-51.2	-30.2	-179.5	-76	170.6	0	0	0	113.5	Q57 R58 E221	L55-Q57 PolarHBondContact O-N 2.83Å; L55-R58 PolarHBondContact O-N 3.42Å; L55-E221 HydrophobicContact CD1-CB 4.36Å; L55-E221 HydrophobicContact CD1-CG 4.03Å
56	S	47.4	Very low	40.4	Very low	94 Å²	94	119 Å²	119	66%	0.657	66%	0.66	S	S	*	*	H	α-helix	trans	-63.8	-36.6	177	51.6	0	0	0	0	113.8	P54 R58	P54-S56 PolarHBondContact O-N 3.38Å; S56-R58 VanDerWaalsContact C-N 3.33Å
57	Q	54.2	Low	40.4	Very low	130 Å²	130	122.1 Å²	122.1	61%	0.607	66%	0.662	S	S	*	*	H	α-helix	trans	-75.4	-23	177.7	-89.4	177.4	-19.7	0	0	112.6	P54 L55	P54-Q57 PolarHBondContact O-N 3.02Å; L55-Q57 PolarHBondContact O-N 2.83Å
58	R	50.5	Low	40.3	Very low	21 Å²	21	119.8 Å²	119.8	8%	0.079	66%	0.658	C	S	.	*	H	α-helix	trans	-79	-23.5	-177.9	-62.4	-178.6	-177.1	-166.7	-8.8	114.3	P53 L55 S56 S60 E225	P53-R58 VanDerWaalsContact CD-NH2 3.28Å; P53-R58 VanDerWaalsContact O-CZ 3.31Å; P53-R58 PolarHBondContact O-NE 2.67Å; P53-R58 PolarHBondContact O-NH2 2.94Å; L55-R58 PolarHBondContact O-N 3.42Å; S56-R58 VanDerWaalsContact C-N 3.33Å; R58-S60 VanDerWaalsContact C-N 3.31Å; R58-E225 IonicContact CZ-OE1 2.7Å; R58-E225 IonicContact NH1-OE1 3.74Å; R58-E225 PolarHBondContact NH1-OE1 2.75Å; R58-E225 IonicContact NH2-OE1 3.3Å
59	Q	46.8	Very low	40.2	Very low	134 Å²	134	124.5 Å²	124.5	63%	0.626	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-22.7	178.6	-67.4	-172.8	6	0	0	112.5	R62	Q59-R62 PolarHBondContact O-N 3.17Å
60	S	44.1	Very low	40.1	Very low	96 Å²	96	120.3 Å²	120.3	67%	0.671	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-31.2	-180	-163.2	0	0	0	0	112.9	R58 R62	R58-S60 VanDerWaalsContact C-N 3.31Å; S60-R62 VanDerWaalsContact C-N 3.31Å; S60-R62 PolarHBondContact O-N 3.31Å
61	E	41	Very low	39.8	Very low	157 Å²	157	119.8 Å²	119.8	73%	0.734	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-75.5	-18.2	179.2	-68.8	-174.2	142.7	0	0	113.6	A63	E61-A63 VanDerWaalsContact C-N 3.26Å; E61-A63 PolarHBondContact O-N 3.02Å
62	R	40	Very low	39.2	Very low	205 Å²	205	116.7 Å²	116.7	77%	0.774	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-77.9	-5.4	-176.9	-145.8	175.1	-161.3	-178.2	7.5	114.1	Q59 S60	Q59-R62 PolarHBondContact O-N 3.17Å; S60-R62 VanDerWaalsContact C-N 3.31Å; S60-R62 PolarHBondContact O-N 3.31Å
63	A	33.5	Very low	38.4	Very low	84 Å²	84	124.6 Å²	124.6	69%	0.694	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-91.4	9	-172.7	0	0	0	0	0	115.6	E61	E61-A63 VanDerWaalsContact C-N 3.26Å; E61-A63 PolarHBondContact O-N 3.02Å
64	R	31.2	Very low	37.5	Very low	234 Å²	234	127.2 Å²	127.2	88%	0.883	70%	0.7	S	S	*	*			trans	-120	62.8	178.8	-63.9	-165.5	-169.9	169.8	5.3	113.7
65	T	30.8	Very low	36.5	Very low	122 Å²	122	129.5 Å²	129.5	75%	0.748	71%	0.713	S	S	*	*			trans	-90.3	116.5	154.2	44.9	0	0	0	0	108.5	E67	T65-E67 PolarHBondContact O-N 2.76Å; T65-E67 VanDerWaalsContact O-N 3.1Å
66	P	35.4	Very low	35.9	Very low	127 Å²	127	133.7 Å²	133.7	83%	0.825	74%	0.741	S	S	*	*			trans	-75.2	103.5	173.8	27.4	-25.7	0	0	0	108.7
67	E	31.1	Very low	35.3	Very low	186 Å²	186	137 Å²	137	87%	0.869	75%	0.75	S	S	*	*			trans	-58.3	142.2	154.8	-75.5	-159.1	150.8	0	0	108.8	T65	T65-E67 PolarHBondContact O-N 2.76Å; T65-E67 VanDerWaalsContact O-N 3.1Å
68	G	28.7	Very low	34.1	Very low	75 Å²	75	136.2 Å²	136.2	77%	0.773	76%	0.757	S	S	*	*			trans	-57.7	135	-159.5	0	0	0	0	0	115.5
69	D	29	Very low	33.2	Very low	164 Å²	164	142.9 Å²	142.9	88%	0.877	79%	0.793	S	S	*	*			trans	-149.2	126.5	137.3	-125.3	-15.8	0	0	0	109.8	I71	D69-I71 PolarHBondContact O-N 2.74Å
70	G	28.8	Very low	32.5	Very low	75 Å²	75	142.5 Å²	142.5	77%	0.773	80%	0.8	S	S	*	*			trans	-80	106	-173.2	0	0	0	0	0	111.4
71	I	31.2	Very low	31.9	Very low	162 Å²	162	144.6 Å²	144.6	83%	0.831	81%	0.809	S	S	*	*			trans	-136.2	113.2	160.6	-60	179.8	0	0	0	109	D69	D69-I71 PolarHBondContact O-N 2.74Å
72	S	28.8	Very low	31.4	Very low	120 Å²	120	144.3 Å²	144.3	84%	0.839	81%	0.812	S	S	*	*			trans	-68.1	127.2	-177.4	-36	0	0	0	0	111.3
73	R	27	Very low	31	Very low	236 Å²	236	140 Å²	140	89%	0.891	81%	0.81	S	S	*	*			trans	-103	125.7	168.3	-159.6	176.8	-169.5	-176.3	2.8	109.6
74	P	29.8	Very low	30.8	Very low	116 Å²	116	141.5 Å²	141.5	75%	0.753	82%	0.816	S	S	*	*			trans	-96.4	101.3	-170	34.2	-28.5	0	0	0	111.2
75	T	31	Very low	30.7	Very low	129 Å²	129	138 Å²	138	79%	0.791	81%	0.813	S	S	*	*			trans	-158.1	74.8	158.7	-12.2	0	0	0	0	111.4
76	T	34.1	Very low	30.6	Very low	141 Å²	141	136.3 Å²	136.3	87%	0.865	81%	0.811	S	S	*	*			trans	-148.2	111.8	156.5	39.3	0	0	0	0	107.9
77	L	33.9	Very low	30.3	Very low	162 Å²	162	137.8 Å²	137.8	85%	0.848	81%	0.81	S	S	*	*			trans	-57.3	140.1	166.6	-72.4	164.6	0	0	0	108.4	L79	L77-L79 PolarHBondContact O-N 3.14Å
78	P	28.7	Very low	30.3	Very low	115 Å²	115	134.8 Å²	134.8	75%	0.747	81%	0.805	S	S	*	*			trans	-69.4	108.1	178.7	28.4	-29.8	0	0	0	107.9	T80	P78-T80 PolarHBondContact O-N 2.86Å
79	L	32.4	Very low	30.3	Very low	161 Å²	161	137.5 Å²	137.5	84%	0.843	81%	0.807	S	S	*	*			trans	-58.7	108.3	164.2	-104.7	108.3	0	0	0	107.2	L77 T81	L77-L79 PolarHBondContact O-N 3.14Å; L79-T81 PolarHBondContact O-N 3.18Å
80	T	32.4	Very low	30.3	Very low	126 Å²	126	136.1 Å²	136.1	77%	0.773	80%	0.804	S	S	*	*			trans	-55.8	121.2	164.8	24.1	0	0	0	0	107.4	P78 L82	P78-T80 PolarHBondContact O-N 2.86Å; T80-L82 PolarHBondContact O-N 3.28Å
81	T	30.6	Very low	30.3	Very low	139 Å²	139	137 Å²	137	85%	0.853	80%	0.798	S	S	*	*			trans	-45.7	110.2	175.1	41.5	0	0	0	0	110.9	L79	L79-T81 PolarHBondContact O-N 3.18Å
82	L	31.6	Very low	30.3	Very low	152 Å²	152	138.5 Å²	138.5	80%	0.796	80%	0.802	S	S	*	*			trans	-56.3	141.2	162.2	-82	158.4	0	0	0	108.7	T80 S84	T80-L82 PolarHBondContact O-N 3.28Å; L82-S84 PolarHBondContact O-N 2.93Å
83	P	30.8	Very low	30.3	Very low	113 Å²	113	140.6 Å²	140.6	73%	0.734	80%	0.799	S	S	*	*			trans	-67.1	112.8	-173.7	27.4	-31.3	0	0	0	109.3	I85	P83-I85 PolarHBondContact O-N 3.06Å
84	S	30.2	Very low	30.4	Very low	117 Å²	117	135 Å²	135	82%	0.818	79%	0.794	S	S	*	*			trans	-55.1	112.4	162.4	-97.7	0	0	0	0	108.1	L82 A86	L82-S84 PolarHBondContact O-N 2.93Å; S84-A86 PolarHBondContact O-N 3.47Å
85	I	29.3	Very low	30.4	Very low	159 Å²	159	139.4 Å²	139.4	82%	0.815	80%	0.802	S	S	*	*			trans	-60.4	103.4	165.5	-65.7	172	0	0	0	106.2	P83 I87	P83-I85 PolarHBondContact O-N 3.06Å; I85-I87 PolarHBondContact O-N 3.2Å
86	A	27.7	Very low	30.4	Very low	87 Å²	87	140.8 Å²	140.8	72%	0.719	80%	0.804	S	S	*	*			trans	-65.3	98.3	175.9	0	0	0	0	0	109	S84 T88	S84-A86 PolarHBondContact O-N 3.47Å; A86-T88 PolarHBondContact O-N 2.81Å; A86-T88 VanDerWaalsContact O-N 3.09Å
87	I	30.3	Very low	30.4	Very low	158 Å²	158	140.3 Å²	140.3	81%	0.81	80%	0.801	S	S	*	*			trans	-67.7	108.1	158.8	-60.1	178.1	0	0	0	105.5	I85 T89	I85-I87 PolarHBondContact O-N 3.2Å; I87-T89 PolarHBondContact O-N 3.3Å; I87-T89 VanDerWaalsContact O-N 3.08Å
88	T	29.5	Very low	30.2	Very low	123 Å²	123	140.2 Å²	140.2	76%	0.755	80%	0.796	S	S	*	*			trans	-54.6	108.9	-173.1	-20.6	0	0	0	0	109.8	A86 V90	A86-T88 PolarHBondContact O-N 2.81Å; A86-T88 VanDerWaalsContact O-N 3.09Å; T88-V90 PolarHBondContact O-N 3.11Å; T88-V90 VanDerWaalsContact O-N 3.16Å
89	T	29.1	Very low	30.6	Very low	133 Å²	133	142.7 Å²	142.7	82%	0.816	80%	0.803	S	S	*	*			trans	-68.9	108.2	159.4	47.5	0	0	0	0	106.6	I87 S91	I87-T89 PolarHBondContact O-N 3.3Å; I87-T89 VanDerWaalsContact O-N 3.08Å; T89-S91 PolarHBondContact O-N 2.83Å
90	V	29.8	Very low	30.6	Very low	134 Å²	134	138.4 Å²	138.4	81%	0.812	80%	0.798	S	S	*	*			trans	-54.3	110.8	172.3	175.5	0	0	0	0	107.9	T88 Q92	T88-V90 PolarHBondContact O-N 3.11Å; T88-V90 VanDerWaalsContact O-N 3.16Å; V90-Q92 PolarHBondContact O-N 2.88Å
91	S	27.2	Very low	30.8	Very low	94 Å²	94	138.2 Å²	138.2	66%	0.657	80%	0.799	S	S	*	*			trans	-59.2	127.5	169.5	-178.7	0	0	0	0	108.7	T89 E93	T89-S91 PolarHBondContact O-N 2.83Å; S91-E93 PolarHBondContact O-N 3.27Å; S91-E93 VanDerWaalsContact O-N 3.16Å
92	Q	31.7	Very low	31.1	Very low	194 Å²	194	137 Å²	137	91%	0.907	80%	0.797	S	S	*	*	S	Bend	trans	-85.3	29.9	-176.1	-150.1	170.9	-0.9	0	0	112.3	V90	V90-Q92 PolarHBondContact O-N 2.88Å
93	E	29.5	Very low	31.4	Very low	164 Å²	164	136 Å²	136	77%	0.766	80%	0.799	S	S	*	*			trans	-143.6	133.3	-178.5	-66.7	-172.5	164.3	0	0	110.3	S91	S91-E93 PolarHBondContact O-N 3.27Å; S91-E93 VanDerWaalsContact O-N 3.16Å
94	C	28.1	Very low	31.6	Very low	119 Å²	119	134 Å²	134	80%	0.804	80%	0.799	S	S	*	*			trans	93.3	85	174.4	-149.2	0	0	0	0	116.5
95	F	31	Very low	31.8	Very low	208 Å²	208	140.6 Å²	140.6	91%	0.912	81%	0.806	S	S	*	*				-162.4	97.7	126.2	-104.4	-74	0	0	0	109.3
96	D	30.2	Very low	32.1	Very low	157 Å²	157	138.4 Å²	138.4	84%	0.84	81%	0.805	S	S	*	*			trans	-69.2	129	164.9	-109.2	-51.4	0	0	0	110.1
97	V	34.8	Very low	32.7	Very low	132 Å²	132	139 Å²	139	80%	0.8	80%	0.802	S	S	*	*			trans	-149.1	107.4	141	179.9	0	0	0	0	108.9
98	E	30.2	Very low	33	Very low	160 Å²	160	139.5 Å²	139.5	75%	0.748	81%	0.805	S	S	*	*			trans	16.5	120.1	150.7	-73.8	-177.6	111.6	0	0	120.2
99	N	35.3	Very low	33.2	Very low	166 Å²	166	141 Å²	141	89%	0.888	81%	0.808	S	S	*	*				-165.9	127.7	101.9	-96.7	-56	0	0	0	111
100	G	32.8	Very low	33.7	Very low	72 Å²	72	139.2 Å²	139.2	74%	0.742	80%	0.799	S	S	*	*			trans	-83.6	179.7	-155.2	0	0	0	0	0	118.7
101	P	37.7	Very low	33.9	Very low	121 Å²	121	141.7 Å²	141.7	79%	0.786	80%	0.802	S	S	*	*			trans	-105	173	-158.8	39.9	-33	0	0	0	113.1
102	S	36.2	Very low	34.1	Very low	115 Å²	115	141.2 Å²	141.2	80%	0.804	80%	0.804	S	S	*	*				175.7	157.8	121.6	-84.5	0	0	0	0	115
103	P	38.9	Very low	34.2	Very low	129 Å²	129	136.9 Å²	136.9	84%	0.838	80%	0.795	S	S	*	*			trans	-119.2	169.2	-143.3	39.8	-26.5	0	0	0	114.3
104	G	34.3	Very low	34.3	Very low	73 Å²	73	134.5 Å²	134.5	75%	0.753	80%	0.796	S	S	*	*			trans	178.9	96	168.7	0	0	0	0	0	117.7
105	R	35.1	Very low	34.6	Very low	254 Å²	254	134.4 Å²	134.4	96%	0.958	80%	0.797	S	S	*	*			trans	51.7	119	138.1	-73.6	-177.4	171.1	-178.5	-2.6	121.8
106	S	34.8	Very low	34.8	Very low	113 Å²	113	129.7 Å²	129.7	79%	0.79	80%	0.796	S	S	*	*			trans	-62.2	179.4	148.9	-120.5	0	0	0	0	112.7
107	P	40	Very low	35	Very low	101 Å²	101	125.8 Å²	125.8	66%	0.656	79%	0.794	S	S	*	*			cis	-138.7	-176.3	-4.4	31	-7.4	0	0	0	114.5
108	L	37.1	Very low	35	Very low	168 Å²	168	127.8 Å²	127.8	88%	0.88	80%	0.799	S	S	*	*			trans	118.2	109.7	152.3	-63.9	158.1	0	0	0	117.2
109	D	33.7	Very low	35.3	Very low	153 Å²	153	126.7 Å²	126.7	82%	0.818	80%	0.803	S	S	*	*			trans	-52.7	175.9	159.1	-113	-25	0	0	0	113.8
110	P	40.5	Very low	35.1	Very low	96 Å²	96	126.9 Å²	126.9	62%	0.623	80%	0.803	S	S	*	*			cis	-139.6	-176.9	-10.5	35.8	-14.8	0	0	0	114.5
111	Q	32.2	Very low	34.8	Very low	186 Å²	186	132.4 Å²	132.4	87%	0.869	81%	0.809	S	S	*	*			trans	88.6	124.7	152.8	-73.1	-170.9	-52.9	0	0	121.7
112	A	32.1	Very low	34.5	Very low	84 Å²	84	130.3 Å²	130.3	69%	0.694	80%	0.802	S	S	*	*			trans	87.7	94.3	136.9	0	0	0	0	0	119.6
113	S	33.3	Very low	34	Very low	104 Å²	104	131.1 Å²	131.1	73%	0.727	80%	0.802	S	S	*	*				69	110.3	125.9	60.1	0	0	0	0	121
114	S	31.7	Very low	33.6	Very low	113 Å²	113	134.4 Å²	134.4	79%	0.79	80%	0.804	S	S	*	*				73.6	102.6	120	-54.3	0	0	0	0	120.1
115	S	34.3	Very low	33.5	Very low	118 Å²	118	137.1 Å²	137.1	83%	0.825	81%	0.808	S	S	*	*				166.4	109.4	123.2	45.1	0	0	0	0	109.1
116	A	35.9	Very low	33.3	Very low	108 Å²	108	128.1 Å²	128.1	89%	0.893	80%	0.795	S	S	*	*				95	108.4	96.7	0	0	0	0	0	112.5
117	G	34.2	Very low	33.3	Very low	76 Å²	76	131.9 Å²	131.9	78%	0.784	80%	0.799	S	S	*	*			trans	-177.9	77.5	177.3	0	0	0	0	0	112.1	V119	G117-V119 PolarHBondContact O-N 3.46Å
118	L	34.2	Very low	32.8	Very low	173 Å²	173	132.4 Å²	132.4	91%	0.906	81%	0.805	S	S	*	*			trans	-32.6	112.8	176.6	-76.8	144.9	0	0	0	116.8
119	V	36.5	Very low	32.8	Very low	137 Å²	137	133.3 Å²	133.3	83%	0.83	81%	0.805	S	S	*	*			trans	-140.7	128.1	143.7	-179.6	0	0	0	0	107.7	G117 H121	G117-V119 PolarHBondContact O-N 3.46Å; V119-H121 PolarHBondContact O-N 2.86Å; V119-H121 VanDerWaalsContact O-N 3.14Å
120	L	31.5	Very low	32.9	Very low	171 Å²	171	137.3 Å²	137.3	90%	0.895	81%	0.809	S	S	*	*			trans	-60.6	105.9	-175.5	-71.1	158.8	0	0	0	111.8
121	H	27.5	Very low	33.1	Very low	187 Å²	187	141 Å²	141	87%	0.866	81%	0.81	S	S	*	*			trans	-112.5	99	163.6	-124	-81.1	0	0	0	108.3	V119 T123	V119-H121 PolarHBondContact O-N 2.86Å; V119-H121 VanDerWaalsContact O-N 3.14Å; H121-T123 PolarHBondContact O-N 3.49Å
122	A	30.4	Very low	34.2	Very low	78 Å²	78	138.5 Å²	138.5	65%	0.645	80%	0.798	S	S	*	*			trans	-81.9	104.2	168.4	0	0	0	0	0	108.9
123	T	26.7	Very low	35.3	Very low	131 Å²	131	136.6 Å²	136.6	80%	0.804	78%	0.78	S	S	*	*			trans	17.4	106	137.6	-6.1	0	0	0	0	117.6	H121	H121-T123 PolarHBondContact O-N 3.49Å
124	F	29.5	Very low	36.8	Very low	199 Å²	199	133.8 Å²	133.8	87%	0.873	76%	0.755	S	S	*	*			trans	-128.5	114.9	156.5	-87.2	-80.8	0	0	0	109.8
125	P	32.5	Very low	37.9	Very low	129 Å²	129	130.9 Å²	130.9	84%	0.838	73%	0.73	S	S	*	*			trans	-89.4	96.1	157.8	31.3	-20.7	0	0	0	107.5
126	G	30.7	Very low	38.9	Very low	66 Å²	66	131.6 Å²	131.6	68%	0.68	72%	0.716	S	S	*	*			trans	-132	83.8	180	0	0	0	0	0	110.4	S128	G126-S128 PolarHBondContact O-N 3.48Å
127	H	35.2	Very low	39.9	Very low	191 Å²	191	131.5 Å²	131.5	88%	0.884	69%	0.692	S	S	*	*			trans	-68.5	110.3	167.8	-140.1	38	0	0	0	107.1	Q129	H127-Q129 VanDerWaalsContact C-N 3.29Å; H127-Q129 PolarHBondContact O-N 3.17Å
128	S	29.4	Very low	40.7	Very low	113 Å²	113	131.2 Å²	131.2	79%	0.79	68%	0.678	S	S	*	*			trans	-67.6	89.5	174	55.4	0	0	0	0	109	G126 R130	G126-S128 PolarHBondContact O-N 3.48Å; S128-R130 PolarHBondContact O-N 3.27Å
129	Q	37.1	Very low	41.6	Very low	187 Å²	187	129 Å²	129	87%	0.874	67%	0.667	S	S	*	*			trans	-62	100.6	171.9	-128.6	165.5	-21.7	0	0	108.1	H127 R131	H127-Q129 VanDerWaalsContact C-N 3.29Å; H127-Q129 PolarHBondContact O-N 3.17Å; Q129-R131 PolarHBondContact O-N 2.89Å
130	R	35.1	Very low	42.4	Very low	236 Å²	236	126.8 Å²	126.8	89%	0.891	66%	0.658	S	S	*	*			trans	-58	119.2	169.6	-168	-177.4	-167.9	-143.6	4	106.9	S128 E132	S128-R130 PolarHBondContact O-N 3.27Å; R130-E132 PolarHBondContact O-N 3.17Å; R130-E132 VanDerWaalsContact O-N 3.09Å
131	R	45.9	Very low	43.4	Very low	174 Å²	174	124.2 Å²	124.2	66%	0.657	65%	0.645	S	S	*	*			trans	-58.1	115.6	178.6	-172.5	-179.3	174	-163.8	-1.9	108.6	Q129 E257	Q129-R131 PolarHBondContact O-N 2.89Å; R131-E257 IonicContact NH2-OE2 3.96Å; R131-E257 PolarHBondContact NH2-OE2 3.46Å
132	E	54.3	Low	44.4	Very low	133 Å²	133	119.1 Å²	119.1	62%	0.621	62%	0.619	S	S	*	*			trans	-61.4	139.4	172.1	-72	170.3	168.5	0	0	109.5	R130 F134 R137	R130-E132 PolarHBondContact O-N 3.17Å; R130-E132 VanDerWaalsContact O-N 3.09Å; E132-F134 PolarHBondContact O-N 3.4Å; E132-R137 IonicContact OE2-NE 3.78Å; E132-R137 IonicContact OE2-NH2 3.95Å
133	S	56	Low	44.8	Very low	45 Å²	45	122.8 Å²	122.8	32%	0.315	63%	0.628	S	S	.	*			trans	-66.9	131.9	176.7	168.3	0	0	0	0	109.2	L135 Y136	S133-L135 PolarHBondContact O-N 3.06Å; S133-L135 WeakPolarHBondContact OG-CB 3.44Å; S133-L135 PolarHBondContact OG-N 3.41Å; S133-Y136 PolarHBondContact O-N 3.35Å
134	F	63.9	Low	45.2	Very low	44 Å²	44	124.8 Å²	124.8	19%	0.193	63%	0.632	C	S	.	*	G	3₁₀ helix	trans	-57.7	-18.3	176.5	66.7	-90.4	0	0	0	112.9	E132 Y136 F250 M253 L254 E257	E132-F134 PolarHBondContact O-N 3.4Å; F134-Y136 PolarHBondContact O-N 3.28Å; F134-F250 HydrophobicContact CE2-CE2 4.24Å; F134-F250 HydrophobicContact CZ-CE2 4.13Å; F134-F250 HydrophobicContact CZ-CZ 4.46Å; F134-M253 HydrophobicContact CD2-CB 4.27Å; F134-M253 HydrophobicContact CD2-CE 4.23Å; F134-M253 HydrophobicContact CE2-CB 4.4Å; F134-M253 WeakPolarHBondContact O-CE 3.24Å; F134-L254 HydrophobicContact CZ-CD1 4.27Å; F134-E257 VanDerWaalsContact CB-CD 3.47Å; F134-E257 HydrophobicContact CB-CG 3.48Å; F134-E257 VanDerWaalsContact CB-CG 3.48Å; F134-E257 WeakPolarHBondContact CB-OE1 3.29Å; F134-E257 HydrophobicContact CD1-CG 4.17Å; F134-E257 HydrophobicContact CD2-CG 4.13Å; F134-E257 HydrophobicContact CG-CG 3.68Å
135	L	56.1	Low	45.2	Very low	52 Å²	52	119.9 Å²	119.9	27%	0.272	62%	0.623	S	S	.	*	G	3₁₀ helix	trans	-65.9	-18.4	176.3	-63.6	170.2	0	0	0	113.6	S133 I165 F250	S133-L135 PolarHBondContact O-N 3.06Å; S133-L135 WeakPolarHBondContact OG-CB 3.44Å; S133-L135 PolarHBondContact OG-N 3.41Å; L135-I165 HydrophobicContact CB-CD1 3.84Å; L135-I165 HydrophobicContact CB-CG1 4.3Å; L135-I165 HydrophobicContact CD1-CD1 3.76Å; L135-I165 HydrophobicContact CD2-CD1 4.47Å; L135-I165 HydrophobicContact CG-CD1 4.23Å; L135-F250 HydrophobicContact CD2-CD2 3.83Å; L135-F250 HydrophobicContact CD2-CE2 3.82Å
136	Y	54.8	Low	45.3	Very low	134 Å²	134	119.5 Å²	119.5	53%	0.525	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-110.4	12.3	-176.6	-55	-71.5	0	0	0	113.8	S133 F134 D163 I165	S133-Y136 PolarHBondContact O-N 3.35Å; F134-Y136 PolarHBondContact O-N 3.28Å; Y136-D163 HydrophobicContact CD1-CB 4.49Å; Y136-D163 WeakPolarHBondContact CD1-O 3.31Å; Y136-D163 VanDerWaalsContact CE1-O 3.23Å; Y136-D163 WeakPolarHBondContact CE1-O 3.24Å; Y136-I165 HydrophobicContact CE1-CG1 4.06Å
137	R	56.5	Low	45.4	Very low	106 Å²	106	125.6 Å²	125.6	40%	0.4	63%	0.628	S	S	.	*			trans	-96.4	132.2	178.3	-69.1	-167.1	173.9	165.5	-3.6	111.4	E132	E132-R137 IonicContact OE2-NE 3.78Å; E132-R137 IonicContact OE2-NH2 3.95Å
138	S	50.9	Low	45.2	Very low	70 Å²	70	120.9 Å²	120.9	49%	0.49	62%	0.623	S	S	.	*			trans	-77.8	143	173.9	-70.6	0	0	0	0	110.4	S140 D141	S138-S140 PolarHBondContact O-N 3.36Å; S138-D141 PolarHBondContact O-N 2.92Å
139	D	52.3	Low	45.2	Very low	126 Å²	126	124.7 Å²	124.7	67%	0.674	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-59.2	-18.7	-179.2	-89.2	-40.9	0	0	0	113.7	D141 R256	D139-D141 VanDerWaalsContact C-N 3.3Å; D139-D141 PolarHBondContact O-N 3.03Å; D139-R256 IonicContact OD1-NH1 3.38Å; D139-R256 PolarHBondContact OD1-NH1 2.67Å
140	S	55	Low	45.1	Very low	91 Å²	91	121.3 Å²	121.3	64%	0.636	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-69.5	-18.4	178.3	52.6	0	0	0	0	115	S138 Y142	S138-S140 PolarHBondContact O-N 3.36Å; S140-Y142 PolarHBondContact O-N 3.41Å
141	D	51.1	Low	45.1	Very low	117 Å²	117	120.6 Å²	120.6	63%	0.626	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-82.1	3.8	-173.7	-65.1	-27.7	0	0	0	113.8	S138 D139	S138-D141 PolarHBondContact O-N 2.92Å; D139-D141 VanDerWaalsContact C-N 3.3Å; D139-D141 PolarHBondContact O-N 3.03Å
142	Y	48	Very low	44.4	Very low	80 Å²	80	119.7 Å²	119.7	31%	0.314	63%	0.633	S	S	.	*	G	3₁₀ helix	trans	-106.5	9.2	-170.8	-90.8	-85.3	0	0	0	115.4	S140 L144 R256 E257	S140-Y142 PolarHBondContact O-N 3.41Å; Y142-L144 PolarHBondContact O-N 3.14Å; Y142-R256 VanDerWaalsContact CE2-CZ 3.48Å; Y142-R256 VanDerWaalsContact CZ-NE 3.35Å; Y142-E257 PolarHBondContact OH-OE1 3.32Å
143	D	39.8	Very low	43.4	Very low	155 Å²	155	119.1 Å²	119.1	83%	0.829	64%	0.643	S	S	*	*			trans	-67	99.5	170.4	-100.1	-29	0	0	0	110.3	S145	D143-S145 PolarHBondContact O-N 3.15Å
144	L	34.4	Very low	42.1	Very low	172 Å²	172	122.6 Å²	122.6	90%	0.901	67%	0.668	S	S	*	*			trans	-66.5	79.2	172.3	-72.8	165.5	0	0	0	110	Y142	Y142-L144 PolarHBondContact O-N 3.14Å
145	S	30.8	Very low	40.6	Very low	96 Å²	96	128.2 Å²	128.2	67%	0.671	70%	0.699	S	S	*	*			trans	-119.8	105.4	165.1	-171.5	0	0	0	0	110.2	D143 K147	D143-S145 PolarHBondContact O-N 3.15Å; S145-K147 PolarHBondContact O-N 3.22Å; S145-K147 VanDerWaalsContact O-N 3.11Å
146	P	33	Very low	39.3	Very low	122 Å²	122	131.3 Å²	131.3	79%	0.792	72%	0.722	S	S	*	*			trans	-82.9	86.7	173.8	31.8	-28.2	0	0	0	108.1
147	K	33.1	Very low	38.2	Very low	193 Å²	193	129.7 Å²	129.7	84%	0.839	73%	0.73	S	S	*	*			trans	-163.1	125.1	164	-107.5	151.9	-166.4	-176.5	0	114.5	S145	S145-K147 PolarHBondContact O-N 3.22Å; S145-K147 VanDerWaalsContact O-N 3.11Å
148	A	32.7	Very low	36.9	Very low	93 Å²	93	133.3 Å²	133.3	77%	0.769	75%	0.752	S	S	*	*			trans	74.6	104.4	154.8	0	0	0	0	0	117.9	S150	A148-S150 PolarHBondContact O-N 3.44Å
149	M	28.9	Very low	35.9	Very low	192 Å²	192	138.6 Å²	138.6	95%	0.946	77%	0.769	S	S	*	*			trans	-44.4	108.4	150	-62.9	160.4	76.7	0	0	109.3
150	S	34.6	Very low	34.9	Very low	117 Å²	117	140.3 Å²	140.3	82%	0.818	77%	0.773	S	S	*	*			trans	-118.7	119.1	164	-165.7	0	0	0	0	109.1	A148	A148-S150 PolarHBondContact O-N 3.44Å
151	R	34.4	Very low	33.9	Very low	221 Å²	221	139.3 Å²	139.3	83%	0.834	78%	0.776	S	S	*	*			trans	-76.7	150.8	177.8	-68.9	171.9	156.2	162.8	-6.9	109.7
152	N	31	Very low	33.3	Very low	154 Å²	154	140.3 Å²	140.3	82%	0.824	78%	0.782	S	S	*	*			trans	94.1	98.1	160.1	-55.5	6.1	0	0	0	117
153	S	33.2	Very low	33.3	Very low	121 Å²	121	141.9 Å²	141.9	85%	0.846	80%	0.795	S	S	*	*				-179.7	100.1	106.7	55.8	0	0	0	0	110.2
154	S	30	Very low	34.2	Very low	118 Å²	118	140.8 Å²	140.8	83%	0.825	79%	0.789	S	S	*	*			trans	-83.7	111.2	169.8	49.4	0	0	0	0	109.9
155	L	31.6	Very low	35	Very low	163 Å²	163	137.5 Å²	137.5	85%	0.853	77%	0.771	S	S	*	*			trans	-118.2	119.5	153.3	-78.7	170.8	0	0	0	106.5	S157	L155-S157 PolarHBondContact O-N 3.36Å
156	P	30.3	Very low	36.7	Very low	117 Å²	117	136 Å²	136	76%	0.76	76%	0.758	S	S	*	*			trans	-80.8	100.2	175.8	31.4	-26.5	0	0	0	107.7	E158	P156-E158 VanDerWaalsContact C-N 3.27Å; P156-E158 PolarHBondContact O-N 3.09Å; P156-E158 VanDerWaalsContact O-N 3.13Å
157	S	30.9	Very low	38.9	Very low	99 Å²	99	132.9 Å²	132.9	69%	0.692	74%	0.737	S	S	*	*			trans	-76.9	89.2	158.8	56.4	0	0	0	0	107.6	L155 Q159	L155-S157 PolarHBondContact O-N 3.36Å; S157-Q159 VanDerWaalsContact C-N 3.32Å; S157-Q159 PolarHBondContact O-N 2.91Å
158	E	28.7	Very low	41.3	Very low	182 Å²	182	125 Å²	125	85%	0.85	71%	0.706	S	S	*	*			trans	-60.8	92.9	162.4	-74	-168.2	145.8	0	0	109.1	P156	P156-E158 VanDerWaalsContact C-N 3.27Å; P156-E158 PolarHBondContact O-N 3.09Å; P156-E158 VanDerWaalsContact O-N 3.13Å
159	Q	31.2	Very low	43.8	Very low	181 Å²	181	122 Å²	122	85%	0.846	68%	0.675	S	S	*	*			trans	178.1	75	159	-101.7	162.3	-5.5	0	0	107.5	S157	S157-Q159 VanDerWaalsContact C-N 3.32Å; S157-Q159 PolarHBondContact O-N 2.91Å
160	H	31.1	Very low	46.5	Very low	163 Å²	163	114.6 Å²	114.6	76%	0.755	65%	0.645	S	S	*	*			trans	-113.8	91.4	159.4	-87.6	31.2	0	0	0	105.9
161	G	32.4	Very low	48.9	Very low	69 Å²	69	114.1 Å²	114.1	71%	0.711	63%	0.629	S	S	*	*			trans	-65.2	133.6	161.5	0	0	0	0	0	107.5	D163	G161-D163 PolarHBondContact O-N 3.08Å
162	D	40.1	Very low	51.5	Low	139 Å²	139	107.6 Å²	107.6	74%	0.743	61%	0.614	S	S	*	*			trans	-17.9	117.1	179.9	-67.6	-51.2	0	0	0	114.4	L164	D162-L164 HydrophobicContact CB-CD1 3.94Å; D162-L164 HydrophobicContact CB-CG 4.32Å; D162-L164 PolarHBondContact O-N 3.32Å
163	D	47.7	Very low	54.2	Low	112 Å²	112	101.1 Å²	101.1	60%	0.599	58%	0.579	S	S	*	*			trans	-65.4	74.7	163.4	-87.5	-32.7	0	0	0	108.4	Y136 G161	Y136-D163 HydrophobicContact CD1-CB 4.49Å; Y136-D163 WeakPolarHBondContact CD1-O 3.31Å; Y136-D163 VanDerWaalsContact CE1-O 3.23Å; Y136-D163 WeakPolarHBondContact CE1-O 3.24Å; G161-D163 PolarHBondContact O-N 3.08Å
164	L	58.2	Low	56.8	Low	132 Å²	132	98.2 Å²	98.2	69%	0.691	56%	0.562	S	S	*	*			trans	-60.5	137.8	167.8	-80.4	122.8	0	0	0	107.3	D162 V166	D162-L164 HydrophobicContact CB-CD1 3.94Å; D162-L164 HydrophobicContact CB-CG 4.32Å; D162-L164 PolarHBondContact O-N 3.32Å; L164-V166 VanDerWaalsContact C-N 3.33Å; L164-V166 WeakPolarHBondContact O-CG2 3.49Å; L164-V166 PolarHBondContact O-N 2.96Å
165	I	51	Low	59.7	Low	103 Å²	103	96 Å²	96	53%	0.528	55%	0.547	S	S	.	.			trans	-61.5	98.7	174.6	-62.1	170	0	0	0	107.6	L135 Y136	L135-I165 HydrophobicContact CB-CD1 3.84Å; L135-I165 HydrophobicContact CB-CG1 4.3Å; L135-I165 HydrophobicContact CD1-CD1 3.76Å; L135-I165 HydrophobicContact CD2-CD1 4.47Å; L135-I165 HydrophobicContact CG-CD1 4.23Å; Y136-I165 HydrophobicContact CE1-CG1 4.06Å
166	V	65.7	Low	62.6	Low	66 Å²	66	90.7 Å²	90.7	40%	0.4	52%	0.519	S	S	.	.			trans	-87	126.2	177.9	-169.5	0	0	0	0	108	L164 A170 Q171	L164-V166 VanDerWaalsContact C-N 3.33Å; L164-V166 WeakPolarHBondContact O-CG2 3.49Å; L164-V166 PolarHBondContact O-N 2.96Å; V166-A170 HydrophobicContact CG1-CB 3.5Å; V166-Q171 HydrophobicContact CB-CB 4.41Å; V166-Q171 HydrophobicContact CG1-CB 3.98Å; V166-Q171 VanDerWaalsContact CG1-N 3.35Å
167	T	79.8	Confident	65.4	Low	55 Å²	55	90.7 Å²	90.7	34%	0.337	50%	0.504	S	S	.	.			trans	-55.1	144.2	170.7	60.9	0	0	0	0	108.8	F169 A170 Q171 A246	T167-F169 PolarHBondContact O-N 2.86Å; T167-F169 VanDerWaalsContact O-N 3.11Å; T167-A170 PolarHBondContact O-N 3.28Å; T167-A170 VanDerWaalsContact OG1-CB 3.3Å; T167-A170 WeakPolarHBondContact OG1-CB 3.43Å; T167-A170 PolarHBondContact OG1-N 3.1Å; T167-Q171 PolarHBondContact O-N 2.99Å; T167-A246 HydrophobicContact CG2-CB 4.06Å
168	P	83.9	Confident	68.4	Low	29 Å²	29	88.9 Å²	88.9	19%	0.188	49%	0.491	C	S	.	.	H	α-helix	trans	-53.5	-38.6	-177.1	19.1	-30.8	0	0	0	112.1	Q171 V172 M245 K249	P168-Q171 PolarHBondContact O-N 3.47Å; P168-V172 WeakPolarHBondContact O-CG2 3.28Å; P168-V172 PolarHBondContact O-N 3.23Å; P168-M245 HydrophobicContact CG-CB 3.9Å; P168-K249 HydrophobicContact CB-CD 4.07Å; P168-K249 HydrophobicContact CG-CB 4.35Å; P168-K249 HydrophobicContact CG-CD 4.13Å
169	F	84.9	Confident	71.4	Confident	29 Å²	29	83.9 Å²	83.9	13%	0.127	47%	0.473	C	S	.	.	H	α-helix	trans	-61.9	-49	176.3	-173.6	-101.2	0	0	0	112.6	T167 Q171 V172 L173 L233 Q237 V242 M245	T167-F169 PolarHBondContact O-N 2.86Å; T167-F169 VanDerWaalsContact O-N 3.11Å; F169-Q171 VanDerWaalsContact C-N 3.26Å; F169-Q171 PolarHBondContact O-N 3.5Å; F169-V172 PolarHBondContact O-N 2.65Å; F169-L173 HydrophobicContact CE1-CD2 4.43Å; F169-L173 WeakPolarHBondContact O-CB 3.47Å; F169-L173 PolarHBondContact O-N 3.33Å; F169-L233 HydrophobicContact CZ-CB 4.49Å; F169-L233 WeakPolarHBondContact CZ-O 3.34Å; F169-Q237 HydrophobicContact CE1-CG 4.06Å; F169-Q237 HydrophobicContact CZ-CG 4.48Å; F169-V242 HydrophobicContact CB-CG1 4.2Å; F169-V242 HydrophobicContact CB-CG2 4.44Å; F169-V242 HydrophobicContact CD1-CG2 3.99Å; F169-V242 HydrophobicContact CE1-CG2 4.46Å; F169-V242 HydrophobicContact CG-CG2 4.11Å; F169-M245 HydrophobicContact CB-SD 4.33Å; F169-M245 HydrophobicContact CD2-SD 4.33Å
170	A	85.5	Confident	74.4	Confident	37 Å²	37	78.6 Å²	78.6	31%	0.306	45%	0.445	S	S	.	.	H	α-helix	trans	-64.5	-32.1	178	0	0	0	0	0	112.3	V166 T167 A174	V166-A170 HydrophobicContact CG1-CB 3.5Å; T167-A170 PolarHBondContact O-N 3.28Å; T167-A170 VanDerWaalsContact OG1-CB 3.3Å; T167-A170 WeakPolarHBondContact OG1-CB 3.43Å; T167-A170 PolarHBondContact OG1-N 3.1Å; A170-A174 VanDerWaalsContact O-CB 3.27Å; A170-A174 WeakPolarHBondContact O-CB 3.26Å; A170-A174 PolarHBondContact O-N 3.26Å
171	Q	85.8	Confident	77.3	Confident	106 Å²	106	74.9 Å²	74.9	50%	0.495	43%	0.431	S	S	.	.	H	α-helix	trans	-66.9	-45.7	174.9	-173.4	180	1	0	0	111.3	V166 T167 P168 F169 S175	V166-Q171 HydrophobicContact CB-CB 4.41Å; V166-Q171 HydrophobicContact CG1-CB 3.98Å; V166-Q171 VanDerWaalsContact CG1-N 3.35Å; T167-Q171 PolarHBondContact O-N 2.99Å; P168-Q171 PolarHBondContact O-N 3.47Å; F169-Q171 VanDerWaalsContact C-N 3.26Å; F169-Q171 PolarHBondContact O-N 3.5Å; Q171-S175 WeakPolarHBondContact O-CB 3.4Å; Q171-S175 PolarHBondContact O-N 2.99Å
172	V	88.4	Confident	80.2	Confident	84 Å²	84	75.6 Å²	75.6	51%	0.509	42%	0.418	S	S	.	.	H	α-helix	trans	-62.4	-45.6	174.8	170.7	0	0	0	0	110.4	P168 F169 A174 S175 L176	P168-V172 WeakPolarHBondContact O-CG2 3.28Å; P168-V172 PolarHBondContact O-N 3.23Å; F169-V172 PolarHBondContact O-N 2.65Å; V172-A174 PolarHBondContact O-N 2.92Å; V172-S175 WeakPolarHBondContact O-CB 3.35Å; V172-S175 PolarHBondContact O-N 3Å; V172-L176 HydrophobicContact CG1-CD1 3.84Å; V172-L176 HydrophobicContact CG1-CG 4.28Å; V172-L176 WeakPolarHBondContact O-CG 3.45Å; V172-L176 PolarHBondContact O-N 2.85Å
173	L	87.6	Confident	82.7	Confident	18 Å²	18	71.6 Å²	71.6	9%	0.094	40%	0.395	C	S	.	.	H	α-helix	trans	-63.1	-44.3	-179.9	-167.3	70.3	0	0	0	112	F169 S175 L176 R177 L230 E234	F169-L173 HydrophobicContact CE1-CD2 4.43Å; F169-L173 WeakPolarHBondContact O-CB 3.47Å; F169-L173 PolarHBondContact O-N 3.33Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 3.39Å; L173-L176 PolarHBondContact O-N 3.1Å; L173-R177 WeakPolarHBondContact O-CB 3.23Å; L173-R177 VanDerWaalsContact O-CG 3.3Å; L173-R177 WeakPolarHBondContact O-CG 3.47Å; L173-R177 PolarHBondContact O-N 3.11Å; L173-L230 HydrophobicContact CD1-CD2 4.07Å; L173-E234 HydrophobicContact CD1-CG 3.87Å; L173-E234 HydrophobicContact CD2-CG 3.86Å; L173-E234 HydrophobicContact CG-CG 4.48Å
174	A	87.5	Confident	84.7	Confident	60 Å²	60	67 Å²	67	50%	0.496	37%	0.37	S	S	.	.	H	α-helix	trans	-62.7	-40.3	175	0	0	0	0	0	112	A170 V172 S178	A170-A174 VanDerWaalsContact O-CB 3.27Å; A170-A174 WeakPolarHBondContact O-CB 3.26Å; A170-A174 PolarHBondContact O-N 3.26Å; V172-A174 PolarHBondContact O-N 2.92Å; A174-S178 PolarHBondContact O-N 3.36Å
175	S	90.7	Very high	86.3	Confident	71 Å²	71	65.5 Å²	65.5	50%	0.497	36%	0.362	S	S	.	.	H	α-helix	trans	-63.7	-47.2	175.7	-174.4	0	0	0	0	111.7	Q171 V172 L173 R177 S178 V179	Q171-S175 WeakPolarHBondContact O-CB 3.4Å; Q171-S175 PolarHBondContact O-N 2.99Å; V172-S175 WeakPolarHBondContact O-CB 3.35Å; V172-S175 PolarHBondContact O-N 3Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 3.39Å; S175-R177 PolarHBondContact O-N 3.31Å; S175-S178 WeakPolarHBondContact O-CB 3.34Å; S175-S178 PolarHBondContact O-N 3.21Å; S175-S178 VanDerWaalsContact O-N 3.12Å; S175-V179 WeakPolarHBondContact O-CG2 3.27Å; S175-V179 PolarHBondContact O-N 3.12Å
176	L	92.2	Very high	88.2	Confident	52 Å²	52	66.9 Å²	66.9	27%	0.272	37%	0.37	S	S	.	.	H	α-helix	trans	-63.5	-39.9	177.7	-71.4	172	0	0	0	112.2	V172 L173 S178 V179 R180 L230 L233	V172-L176 HydrophobicContact CG1-CD1 3.84Å; V172-L176 HydrophobicContact CG1-CG 4.28Å; V172-L176 WeakPolarHBondContact O-CG 3.45Å; V172-L176 PolarHBondContact O-N 2.85Å; L173-L176 PolarHBondContact O-N 3.1Å; L176-S178 VanDerWaalsContact C-N 3.31Å; L176-S178 PolarHBondContact O-N 3.44Å; L176-V179 WeakPolarHBondContact O-CB 3.2Å; L176-V179 PolarHBondContact O-N 3.12Å; L176-R180 WeakPolarHBondContact O-CB 3.42Å; L176-R180 PolarHBondContact O-N 3Å; L176-L230 HydrophobicContact CB-CD2 3.63Å; L176-L230 HydrophobicContact CD1-CD2 4.19Å; L176-L233 HydrophobicContact CD1-CD1 3.84Å
177	R	90.9	Very high	89.2	Confident	117 Å²	117	64.3 Å²	64.3	44%	0.442	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-38.1	172.6	-73.4	171.4	174.6	-175.4	-5.5	111.9	L173 S175 R180 N181 E234	L173-R177 WeakPolarHBondContact O-CB 3.23Å; L173-R177 VanDerWaalsContact O-CG 3.3Å; L173-R177 WeakPolarHBondContact O-CG 3.47Å; L173-R177 PolarHBondContact O-N 3.11Å; S175-R177 PolarHBondContact O-N 3.31Å; R177-R180 PolarHBondContact O-N 3.44Å; R177-N181 VanDerWaalsContact O-CG 3.28Å; R177-N181 PolarHBondContact O-N 3Å; R177-N181 PolarHBondContact O-ND2 3.38Å; R177-E234 IonicContact CZ-OE1 3.65Å; R177-E234 VanDerWaalsContact CZ-OE1 3.27Å; R177-E234 IonicContact NE-OE1 2.66Å; R177-E234 PolarHBondContact NE-OE1 3Å; R177-E234 VanDerWaalsContact NE-OE1 3.16Å; R177-E234 IonicContact NH2-OE1 3.74Å; R177-E234 PolarHBondContact NH2-OE1 3.25Å; R177-E234 IonicContact NH2-OE2 2.94Å; R177-E234 PolarHBondContact NH2-OE2 2.96Å
178	S	92.4	Very high	89.2	Confident	61 Å²	61	68.4 Å²	68.4	43%	0.427	37%	0.374	S	S	.	.	H	α-helix	trans	-65.8	-44.2	173.3	-174.3	0	0	0	0	112	A174 S175 L176 R180 N181 N182	A174-S178 PolarHBondContact O-N 3.36Å; S175-S178 WeakPolarHBondContact O-CB 3.34Å; S175-S178 PolarHBondContact O-N 3.21Å; S175-S178 VanDerWaalsContact O-N 3.12Å; L176-S178 VanDerWaalsContact C-N 3.31Å; L176-S178 PolarHBondContact O-N 3.44Å; S178-R180 VanDerWaalsContact C-N 3.33Å; S178-R180 PolarHBondContact O-N 2.95Å; S178-N181 PolarHBondContact O-N 2.83Å; S178-N182 PolarHBondContact O-N 3.38Å; S178-N182 PolarHBondContact O-ND2 3.48Å; S178-N182 VanDerWaalsContact O-ND2 3.16Å
179	V	93.5	Very high	88.4	Confident	77 Å²	77	69 Å²	69	47%	0.467	38%	0.375	S	S	.	.	H	α-helix	trans	-57.6	-47	174.4	170.9	0	0	0	0	110.6	S175 L176 N181 N182 F183	S175-V179 WeakPolarHBondContact O-CG2 3.27Å; S175-V179 PolarHBondContact O-N 3.12Å; L176-V179 WeakPolarHBondContact O-CB 3.2Å; L176-V179 PolarHBondContact O-N 3.12Å; V179-N181 PolarHBondContact O-N 3.1Å; V179-N182 PolarHBondContact O-N 2.94Å; V179-F183 WeakPolarHBondContact O-CB 3.49Å; V179-F183 PolarHBondContact O-N 3.25Å
180	R	93.2	Very high	87.2	Confident	71 Å²	71	73.6 Å²	73.6	27%	0.268	40%	0.397	S	S	.	.	H	α-helix	trans	-57	-47.5	176.1	-173.8	-86.2	-173.9	-165.8	-4.4	112	L176 R177 S178 N182 F183 T184 L223 L226 D227 L230	L176-R180 WeakPolarHBondContact O-CB 3.42Å; L176-R180 PolarHBondContact O-N 3Å; R177-R180 PolarHBondContact O-N 3.44Å; S178-R180 VanDerWaalsContact C-N 3.33Å; S178-R180 PolarHBondContact O-N 2.95Å; R180-N182 VanDerWaalsContact C-N 3.32Å; R180-N182 PolarHBondContact O-N 2.99Å; R180-F183 WeakPolarHBondContact O-CB 3.49Å; R180-F183 PolarHBondContact O-N 3.33Å; R180-T184 PolarHBondContact O-N 3.23Å; R180-T184 VanDerWaalsContact O-N 3.16Å; R180-L223 HydrophobicContact CG-CD1 4.15Å; R180-L226 HydrophobicContact CB-CD2 3.71Å; R180-L226 HydrophobicContact CB-CG 4.36Å; R180-L226 HydrophobicContact CG-CD2 3.87Å; R180-L226 HydrophobicContact CG-CG 4.29Å; R180-D227 WeakPolarHBondContact CG-OD1 3.47Å; R180-D227 IonicContact CZ-OD1 3.86Å; R180-D227 IonicContact CZ-OD2 3.44Å; R180-D227 IonicContact NE-OD1 2.86Å; R180-D227 PolarHBondContact NE-OD1 3Å; R180-D227 IonicContact NE-OD2 2.76Å; R180-D227 IonicContact NH2-OD1 2.81Å; R180-D227 PolarHBondContact NH2-OD1 2.69Å; R180-D227 IonicContact NH2-OD2 3.15Å; R180-D227 PolarHBondContact NH2-OD2 3.14Å; R180-L230 HydrophobicContact CB-CD1 4.1Å; R180-L230 HydrophobicContact CG-CD1 4.14Å
181	N	91.4	Very high	85.1	Confident	85 Å²	85	75.1 Å²	75.1	46%	0.455	42%	0.416	S	S	.	.	H	α-helix	trans	-64.7	-35.3	177.9	-71.8	-23.1	0	0	0	112.8	R177 S178 V179 T184 I185	R177-N181 VanDerWaalsContact O-CG 3.28Å; R177-N181 PolarHBondContact O-N 3Å; R177-N181 PolarHBondContact O-ND2 3.38Å; S178-N181 PolarHBondContact O-N 2.83Å; V179-N181 PolarHBondContact O-N 3.1Å; N181-T184 PolarHBondContact O-OG1 3.33Å; N181-I185 WeakPolarHBondContact O-CD1 3.4Å; N181-I185 WeakPolarHBondContact O-CG1 3.38Å
182	N	93	Very high	82.5	Confident	83 Å²	83	76.5 Å²	76.5	44%	0.444	43%	0.432	S	S	.	.	H	α-helix	trans	-73.8	-33.8	175	-69.9	-38	0	0	0	111.8	S178 V179 R180 T184 I185 L186	S178-N182 PolarHBondContact O-N 3.38Å; S178-N182 PolarHBondContact O-ND2 3.48Å; S178-N182 VanDerWaalsContact O-ND2 3.16Å; V179-N182 PolarHBondContact O-N 2.94Å; R180-N182 VanDerWaalsContact C-N 3.32Å; R180-N182 PolarHBondContact O-N 2.99Å; N182-T184 PolarHBondContact O-N 2.69Å; N182-I185 WeakPolarHBondContact O-CB 3.48Å; N182-I185 PolarHBondContact O-N 2.76Å; N182-L186 VanDerWaalsContact O-CG 3.32Å; N182-L186 WeakPolarHBondContact O-CG 3.37Å; N182-L186 PolarHBondContact O-N 2.91Å
183	F	93.2	Very high	79.8	Confident	56 Å²	56	77.6 Å²	77.6	25%	0.246	44%	0.444	C	S	.	.	H	α-helix	trans	-61.5	-43	176.8	-175.5	-90	0	0	0	111.8	V179 R180 I185 L186 T187 A219 L223	V179-F183 WeakPolarHBondContact O-CB 3.49Å; V179-F183 PolarHBondContact O-N 3.25Å; R180-F183 WeakPolarHBondContact O-CB 3.49Å; R180-F183 PolarHBondContact O-N 3.33Å; F183-I185 VanDerWaalsContact C-N 3.26Å; F183-I185 PolarHBondContact O-N 2.97Å; F183-L186 PolarHBondContact O-N 3.1Å; F183-T187 HydrophobicContact CD1-CG2 4.1Å; F183-T187 HydrophobicContact CD2-CG2 4.41Å; F183-T187 HydrophobicContact CE1-CG2 3.7Å; F183-T187 HydrophobicContact CE2-CG2 4.04Å; F183-T187 HydrophobicContact CG-CG2 4.44Å; F183-T187 HydrophobicContact CZ-CG2 3.68Å; F183-T187 WeakPolarHBondContact O-CB 3.28Å; F183-T187 WeakPolarHBondContact O-CG2 3.27Å; F183-T187 PolarHBondContact O-N 2.92Å; F183-T187 PolarHBondContact O-OG1 3.5Å; F183-A219 WeakPolarHBondContact CE1-O 2.98Å; F183-L223 HydrophobicContact CD1-CB 4.34Å; F183-L223 HydrophobicContact CD1-CD1 4.08Å; F183-L223 HydrophobicContact CE1-CB 3.98Å
184	T	91	Very high	77.2	Confident	14 Å²	14	83.9 Å²	83.9	9%	0.086	48%	0.478	C	S	.	.	H	α-helix	trans	-64.2	-31.3	176.6	59.3	0	0	0	0	112.8	R180 N181 N182 L189 H190 L223	R180-T184 PolarHBondContact O-N 3.23Å; R180-T184 VanDerWaalsContact O-N 3.16Å; N181-T184 PolarHBondContact O-OG1 3.33Å; N182-T184 PolarHBondContact O-N 2.69Å; T184-L189 PolarHBondContact O-N 2.83Å; T184-H190 PolarHBondContact O-CE1 3.28Å; T184-H190 PolarHBondContact O-ND1 3.28Å; T184-H190 VanDerWaalsContact O-ND1 3.1Å; T184-L223 HydrophobicContact CG2-CD1 3.82Å; T184-L223 HydrophobicContact CG2-CD2 3.86Å
185	I	90.5	Very high	74.8	Confident	101 Å²	101	90.6 Å²	90.6	52%	0.518	50%	0.496	S	S	.	.	H	α-helix	trans	-71.1	-47.9	174.6	-63.3	167.5	0	0	0	110.1	N181 N182 F183 T187 N188	N181-I185 WeakPolarHBondContact O-CD1 3.4Å; N181-I185 WeakPolarHBondContact O-CG1 3.38Å; N182-I185 WeakPolarHBondContact O-CB 3.48Å; N182-I185 PolarHBondContact O-N 2.76Å; F183-I185 VanDerWaalsContact C-N 3.26Å; F183-I185 PolarHBondContact O-N 2.97Å; I185-T187 VanDerWaalsContact C-N 3.3Å; I185-T187 PolarHBondContact O-N 2.9Å; I185-N188 PolarHBondContact O-N 2.73Å
186	L	90.4	Very high	72.1	Confident	133 Å²	133	98.5 Å²	98.5	70%	0.696	51%	0.514	S	S	*	.	H	α-helix	trans	-65.5	-31.7	-177.3	-71.6	169	0	0	0	113.3	N182 F183	N182-L186 VanDerWaalsContact O-CG 3.32Å; N182-L186 WeakPolarHBondContact O-CG 3.37Å; N182-L186 PolarHBondContact O-N 2.91Å; F183-L186 PolarHBondContact O-N 3.1Å
187	T	87	Confident	69.5	Low	12 Å²	12	101.4 Å²	101.4	7%	0.074	54%	0.539	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-2.2	-176.8	53.2	0	0	0	0	113.9	F183 I185 L189 A219	F183-T187 HydrophobicContact CD1-CG2 4.1Å; F183-T187 HydrophobicContact CD2-CG2 4.41Å; F183-T187 HydrophobicContact CE1-CG2 3.7Å; F183-T187 HydrophobicContact CE2-CG2 4.04Å; F183-T187 HydrophobicContact CG-CG2 4.44Å; F183-T187 HydrophobicContact CZ-CG2 3.68Å; F183-T187 WeakPolarHBondContact O-CB 3.28Å; F183-T187 WeakPolarHBondContact O-CG2 3.27Å; F183-T187 PolarHBondContact O-N 2.92Å; F183-T187 PolarHBondContact O-OG1 3.5Å; I185-T187 VanDerWaalsContact C-N 3.3Å; I185-T187 PolarHBondContact O-N 2.9Å; T187-L189 PolarHBondContact O-N 3.38Å; T187-L189 VanDerWaalsContact O-N 3.16Å; T187-L189 WeakPolarHBondContact OG1-CD1 3.44Å; T187-L189 WeakPolarHBondContact OG1-CG 3.31Å; T187-A219 HydrophobicContact CG2-CB 3.84Å
188	N	80.1	Confident	66.9	Low	141 Å²	141	101.7 Å²	101.7	75%	0.754	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.9	25.8	-174.7	-69.1	-39.5	0	0	0	114.1	I185 H190	I185-N188 PolarHBondContact O-N 2.73Å; N188-H190 PolarHBondContact O-N 2.9Å
189	L	67.7	Low	64.4	Low	40 Å²	40	103.6 Å²	103.6	21%	0.209	58%	0.575	C	S	.	*			trans	-74.4	10.6	179.9	-70.4	173.7	0	0	0	113.7	T184 T187 G191 A219 M220 L223	T184-L189 PolarHBondContact O-N 2.83Å; T187-L189 PolarHBondContact O-N 3.38Å; T187-L189 VanDerWaalsContact O-N 3.16Å; T187-L189 WeakPolarHBondContact OG1-CD1 3.44Å; T187-L189 WeakPolarHBondContact OG1-CG 3.31Å; L189-G191 PolarHBondContact O-N 3.5Å; L189-G191 VanDerWaalsContact O-N 3.16Å; L189-A219 HydrophobicContact CD1-CB 4.02Å; L189-M220 HydrophobicContact CD2-CE 3.97Å; L189-L223 HydrophobicContact CD1-CB 4.31Å; L189-L223 HydrophobicContact CD1-CD2 3.89Å
190	H	58.6	Low	61.7	Low	126 Å²	126	104.3 Å²	104.3	58%	0.583	59%	0.59	S	S	*	*			trans	-69.7	113.4	176.8	-74.7	74.3	0	0	0	110.2	T184 N188 T192	T184-H190 PolarHBondContact O-CE1 3.28Å; T184-H190 PolarHBondContact O-ND1 3.28Å; T184-H190 VanDerWaalsContact O-ND1 3.1Å; N188-H190 PolarHBondContact O-N 2.9Å; H190-T192 PolarHBondContact O-N 2.83Å
191	G	41.3	Very low	59.1	Low	69 Å²	69	106.6 Å²	106.6	71%	0.711	62%	0.617	S	S	*	*			trans	-46.4	134.9	-179.8	0	0	0	0	0	113.2	L189 S193	L189-G191 PolarHBondContact O-N 3.5Å; L189-G191 VanDerWaalsContact O-N 3.16Å; G191-S193 VanDerWaalsContact C-N 3.28Å; G191-S193 PolarHBondContact O-N 3.48Å
192	T	32.5	Very low	56.7	Low	136 Å²	136	111.4 Å²	111.4	83%	0.834	64%	0.636	S	S	*	*			trans	-58.9	81.7	174.2	52.2	0	0	0	0	111.3	H190 N194	H190-T192 PolarHBondContact O-N 2.83Å; T192-N194 PolarHBondContact O-N 3.47Å
193	S	32	Very low	54.5	Low	107 Å²	107	112.9 Å²	112.9	75%	0.748	65%	0.65	S	S	*	*			trans	-96.6	74.9	162.3	-161.7	0	0	0	0	108.8	G191 K195	G191-S193 VanDerWaalsContact C-N 3.28Å; G191-S193 PolarHBondContact O-N 3.48Å; S193-K195 PolarHBondContact O-N 2.72Å
194	N	32.6	Very low	52.1	Low	150 Å²	150	115.5 Å²	115.5	80%	0.802	67%	0.673	S	S	*	*			trans	-68.4	91.2	172.7	-92.1	-28.9	0	0	0	110	T192 R196	T192-N194 PolarHBondContact O-N 3.47Å; N194-R196 VanDerWaalsContact C-N 3.27Å; N194-R196 PolarHBondContact O-N 3.41Å
195	K	37.3	Very low	49.5	Very low	201 Å²	201	121.7 Å²	121.7	87%	0.874	71%	0.711	S	S	*	*			trans	-71.8	91.1	154.1	-79.6	-170.8	178.9	179	0	108.6	S193 S197	S193-K195 PolarHBondContact O-N 2.72Å; K195-S197 PolarHBondContact O-N 2.86Å
196	R	33.8	Very low	47	Very low	236 Å²	236	122 Å²	122	89%	0.891	72%	0.722	S	S	*	*			trans	-60.5	115.6	177.8	-165	178.3	-161.9	173.9	4.5	111.3	N194	N194-R196 VanDerWaalsContact C-N 3.27Å; N194-R196 PolarHBondContact O-N 3.41Å
197	S	36.8	Very low	44.5	Very low	114 Å²	114	127.2 Å²	127.2	80%	0.797	73%	0.732	S	S	*	*			trans	-108.4	129	157.7	-77.5	0	0	0	0	108.8	K195	K195-S197 PolarHBondContact O-N 2.86Å
198	P	37.8	Very low	42.4	Very low	123 Å²	123	131 Å²	131	80%	0.799	76%	0.755	S	S	*	*			trans	-97.2	108.2	-175.3	34.1	-26.4	0	0	0	110.9
199	A	38.4	Very low	40.9	Very low	100 Å²	100	128.6 Å²	128.6	83%	0.826	74%	0.742	S	S	*	*			trans	-171.8	138.1	150.9	0	0	0	0	0	110.5
200	A	37.1	Very low	40.2	Very low	93 Å²	93	131.3 Å²	131.3	77%	0.769	76%	0.762	S	S	*	*	S	Bend	trans	87.4	99.2	170	0	0	0	0	0	118.3
201	S	39.2	Very low	40.3	Very low	119 Å²	119	132.1 Å²	132.1	83%	0.832	77%	0.766	S	S	*	*			trans	57.5	109.2	142.8	53.1	0	0	0	0	121.1
202	Q	39.6	Very low	41.6	Very low	186 Å²	186	133.9 Å²	133.9	87%	0.869	76%	0.756	S	S	*	*			trans	-65.4	173.5	151.9	-74.2	-169.2	-22.6	0	0	111.7
203	P	46.8	Very low	43.7	Very low	114 Å²	114	133 Å²	133	74%	0.74	74%	0.742	S	S	*	*			cis	-137.4	-160	6.7	27.7	-0.3	0	0	0	112.1
204	P	43.2	Very low	46.2	Very low	110 Å²	110	131.6 Å²	131.6	71%	0.714	73%	0.732	S	S	*	*			cis	-127.1	173.3	-4	38.3	-18.8	0	0	0	115.6	S206	P204-S206 PolarHBondContact O-N 3.37Å; P204-S206 VanDerWaalsContact O-N 3.12Å
205	V	37.4	Very low	48.8	Very low	145 Å²	145	130.3 Å²	130.3	88%	0.879	72%	0.717	S	S	*	*			trans	-50.6	103.6	174.4	-175.1	0	0	0	0	111.8	R207	V205-R207 PolarHBondContact O-N 3.05Å
206	S	36.4	Very low	51.1	Low	108 Å²	108	126 Å²	126	76%	0.755	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-79.9	117.5	169.7	-68.6	0	0	0	0	109.3	P204 V208	P204-S206 PolarHBondContact O-N 3.37Å; P204-S206 VanDerWaalsContact O-N 3.12Å; S206-V208 PolarHBondContact O-N 2.87Å
207	R	37.8	Very low	53.7	Low	241 Å²	241	121 Å²	121	91%	0.909	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-52.9	117.1	168.8	-71.7	176.4	173.5	171.6	-3.4	108.6	V205 N209	V205-R207 PolarHBondContact O-N 3.05Å; R207-N209 PolarHBondContact O-N 3.19Å
208	V	43.5	Very low	56.3	Low	92 Å²	92	120.7 Å²	120.7	56%	0.558	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-59	121	169.3	179	0	0	0	0	107.1	S206 E213	S206-V208 PolarHBondContact O-N 2.87Å; V208-E213 HydrophobicContact CG1-CG 3.99Å
209	N	48	Very low	58.8	Low	91 Å²	91	115.1 Å²	115.1	49%	0.487	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-79.4	129.1	-178.9	-141.7	8.3	0	0	0	106.8	R207 Q211 E212	R207-N209 PolarHBondContact O-N 3.19Å; N209-Q211 PolarHBondContact O-N 2.93Å; N209-E212 WeakPolarHBondContact O-CB 3.29Å; N209-E212 PolarHBondContact O-N 3.08Å
210	P	54	Low	61.3	Low	96 Å²	96	115.1 Å²	115.1	62%	0.623	62%	0.622	S	S	*	*	H	α-helix	trans	-58.6	-16.3	-178.1	18.3	-29.6	0	0	0	114.1
211	Q	60	Low	63.9	Low	144 Å²	144	114 Å²	114	67%	0.673	60%	0.601	S	S	*	*	H	α-helix	trans	-68.5	-34.1	169.8	-74.9	-179.1	-43.9	0	0	113.6	N209 S214 Y215	N209-Q211 PolarHBondContact O-N 2.93Å; Q211-S214 PolarHBondContact O-OG 3.26Å; Q211-Y215 PolarHBondContact O-N 3.43Å
212	E	69.5	Low	66.5	Low	106 Å²	106	111.4 Å²	111.4	50%	0.495	58%	0.58	S	S	.	*	H	α-helix	trans	-70.5	-33.2	177.2	-79.4	177.9	147.4	0	0	112.2	N209 Y215 Q216	N209-E212 WeakPolarHBondContact O-CB 3.29Å; N209-E212 PolarHBondContact O-N 3.08Å; E212-Y215 PolarHBondContact O-N 2.96Å; E212-Q216 WeakPolarHBondContact O-CB 3.5Å; E212-Q216 VanDerWaalsContact O-CG 3.32Å; E212-Q216 WeakPolarHBondContact O-CG 3.25Å; E212-Q216 PolarHBondContact O-N 3.2Å
213	E	76.1	Confident	69	Low	117 Å²	117	103.7 Å²	103.7	55%	0.547	55%	0.545	S	S	.	.	H	α-helix	trans	-65.3	-43.6	176.3	-69.8	178.6	166.8	0	0	111.5	V208 Y215 Q216 K217	V208-E213 HydrophobicContact CG1-CG 3.99Å; E213-Y215 VanDerWaalsContact C-N 3.33Å; E213-Y215 PolarHBondContact O-N 3.41Å; E213-Q216 PolarHBondContact O-N 3.19Å; E213-K217 VanDerWaalsContact O-CB 3.3Å; E213-K217 WeakPolarHBondContact O-CB 3.37Å; E213-K217 PolarHBondContact O-N 2.88Å
214	S	84.4	Confident	71.1	Confident	77 Å²	77	102.1 Å²	102.1	54%	0.538	53%	0.527	S	S	.	.	H	α-helix	trans	-63.6	-38.8	175.5	69.2	0	0	0	0	112.6	Q211 L218	Q211-S214 PolarHBondContact O-OG 3.26Å; S214-L218 WeakPolarHBondContact O-CB 3.49Å; S214-L218 PolarHBondContact O-N 3.38Å
215	Y	87	Confident	73.4	Confident	123 Å²	123	99.4 Å²	99.4	48%	0.482	51%	0.505	S	S	.	.	H	α-helix	trans	-66.7	-46.8	175.9	172.4	-94.4	0	0	0	111.8	Q211 E212 E213 K217 L218 A219	Q211-Y215 PolarHBondContact O-N 3.43Å; E212-Y215 PolarHBondContact O-N 2.96Å; E213-Y215 VanDerWaalsContact C-N 3.33Å; E213-Y215 PolarHBondContact O-N 3.41Å; Y215-K217 VanDerWaalsContact C-N 3.35Å; Y215-L218 PolarHBondContact O-N 3.39Å; Y215-A219 VanDerWaalsContact O-CB 3.29Å; Y215-A219 WeakPolarHBondContact O-CB 3.41Å; Y215-A219 PolarHBondContact O-N 3.44Å
216	Q	86.5	Confident	76.1	Confident	110 Å²	110	94.4 Å²	94.4	51%	0.514	47%	0.473	S	S	.	.	H	α-helix	trans	-63.8	-41.1	178.5	-76.9	179.9	8	0	0	111.8	E212 E213 A219 M220	E212-Q216 WeakPolarHBondContact O-CB 3.5Å; E212-Q216 VanDerWaalsContact O-CG 3.32Å; E212-Q216 WeakPolarHBondContact O-CG 3.25Å; E212-Q216 PolarHBondContact O-N 3.2Å; E213-Q216 PolarHBondContact O-N 3.19Å; Q216-A219 PolarHBondContact O-N 2.97Å; Q216-M220 WeakPolarHBondContact O-CB 3.45Å; Q216-M220 PolarHBondContact O-N 3.17Å
217	K	88.3	Confident	78.7	Confident	133 Å²	133	91.6 Å²	91.6	58%	0.578	45%	0.45	S	S	*	.	H	α-helix	trans	-60.6	-51.3	175	-178	174.9	173	177.1	0	111.2	E213 Y215 A219 M220 E221	E213-K217 VanDerWaalsContact O-CB 3.3Å; E213-K217 WeakPolarHBondContact O-CB 3.37Å; E213-K217 PolarHBondContact O-N 2.88Å; Y215-K217 VanDerWaalsContact C-N 3.35Å; K217-A219 VanDerWaalsContact C-N 3.32Å; K217-A219 PolarHBondContact O-N 3.13Å; K217-M220 PolarHBondContact O-N 3.41Å; K217-E221 WeakPolarHBondContact CE-OE1 3.49Å; K217-E221 HydrophobicContact CG-CG 4.47Å; K217-E221 IonicContact NZ-OE1 3.67Å; K217-E221 WeakPolarHBondContact O-CG 3.45Å; K217-E221 PolarHBondContact O-N 3.4Å
218	L	90.7	Very high	81.2	Confident	107 Å²	107	83.3 Å²	83.3	56%	0.56	42%	0.419	S	S	*	.	H	α-helix	trans	-59.7	-43.4	178.2	-176.1	68	0	0	0	111.7	S214 Y215 M220 E221 T222	S214-L218 WeakPolarHBondContact O-CB 3.49Å; S214-L218 PolarHBondContact O-N 3.38Å; Y215-L218 PolarHBondContact O-N 3.39Å; L218-M220 VanDerWaalsContact C-N 3.34Å; L218-M220 PolarHBondContact O-N 3.07Å; L218-E221 PolarHBondContact O-N 3.42Å; L218-T222 PolarHBondContact O-N 3.47Å; L218-T222 PolarHBondContact O-OG1 3.31Å
219	A	91.5	Very high	83.4	Confident	6 Å²	6	81.1 Å²	81.1	5%	0.05	41%	0.407	C	S	.	.	H	α-helix	trans	-63.3	-38.5	178.6	0	0	0	0	0	112.5	F183 T187 L189 Y215 Q216 K217 T222 L223	F183-A219 WeakPolarHBondContact CE1-O 2.98Å; T187-A219 HydrophobicContact CG2-CB 3.84Å; L189-A219 HydrophobicContact CD1-CB 4.02Å; Y215-A219 VanDerWaalsContact O-CB 3.29Å; Y215-A219 WeakPolarHBondContact O-CB 3.41Å; Y215-A219 PolarHBondContact O-N 3.44Å; Q216-A219 PolarHBondContact O-N 2.97Å; K217-A219 VanDerWaalsContact C-N 3.32Å; K217-A219 PolarHBondContact O-N 3.13Å; A219-T222 WeakPolarHBondContact CA-OG1 3.43Å; A219-T222 PolarHBondContact O-OG1 3.43Å; A219-L223 WeakPolarHBondContact O-CB 3.31Å; A219-L223 PolarHBondContact O-N 2.9Å
220	M	90	Very high	85.4	Confident	99 Å²	99	77.5 Å²	77.5	49%	0.488	39%	0.387	S	S	.	.	H	α-helix	trans	-69.7	-46.2	176.2	-170	160.6	-73.7	0	0	111.3	L189 Q216 K217 L218 T222 L223 E224	L189-M220 HydrophobicContact CD2-CE 3.97Å; Q216-M220 WeakPolarHBondContact O-CB 3.45Å; Q216-M220 PolarHBondContact O-N 3.17Å; K217-M220 PolarHBondContact O-N 3.41Å; L218-M220 VanDerWaalsContact C-N 3.34Å; L218-M220 PolarHBondContact O-N 3.07Å; M220-T222 VanDerWaalsContact C-N 3.34Å; M220-T222 PolarHBondContact O-N 2.88Å; M220-L223 PolarHBondContact O-N 3.5Å; M220-L223 VanDerWaalsContact O-N 3.16Å; M220-E224 WeakPolarHBondContact O-CG 3.18Å; M220-E224 PolarHBondContact O-N 3.06Å
221	E	92.1	Very high	87	Confident	70 Å²	70	76.6 Å²	76.6	33%	0.327	38%	0.378	S	S	.	.	H	α-helix	trans	-58.7	-43.3	175.6	-72.2	172.6	171.8	0	0	111.6	L55 K217 L218 E224 E225	L55-E221 HydrophobicContact CD1-CB 4.36Å; L55-E221 HydrophobicContact CD1-CG 4.03Å; K217-E221 WeakPolarHBondContact CE-OE1 3.49Å; K217-E221 HydrophobicContact CG-CG 4.47Å; K217-E221 IonicContact NZ-OE1 3.67Å; K217-E221 WeakPolarHBondContact O-CG 3.45Å; K217-E221 PolarHBondContact O-N 3.4Å; L218-E221 PolarHBondContact O-N 3.42Å; E221-E224 PolarHBondContact O-N 2.84Å; E221-E225 WeakPolarHBondContact O-CB 3.41Å; E221-E225 VanDerWaalsContact O-CG 3.3Å; E221-E225 WeakPolarHBondContact O-CG 3.45Å; E221-E225 PolarHBondContact O-N 3.31Å
222	T	92.8	Very high	88.2	Confident	65 Å²	65	72.3 Å²	72.3	40%	0.399	36%	0.357	S	S	.	.	H	α-helix	trans	-68	-34.1	176.1	23.1	0	0	0	0	113.3	L218 A219 M220 L226	L218-T222 PolarHBondContact O-N 3.47Å; L218-T222 PolarHBondContact O-OG1 3.31Å; A219-T222 WeakPolarHBondContact CA-OG1 3.43Å; A219-T222 PolarHBondContact O-OG1 3.43Å; M220-T222 VanDerWaalsContact C-N 3.34Å; M220-T222 PolarHBondContact O-N 2.88Å; T222-L226 WeakPolarHBondContact O-CB 3.37Å; T222-L226 PolarHBondContact O-N 2.65Å
223	L	92.8	Very high	88.8	Confident	23 Å²	23	70.7 Å²	70.7	12%	0.12	35%	0.352	C	S	.	.	H	α-helix	trans	-68.4	-42	175.2	-178	61.1	0	0	0	111.4	R180 F183 T184 L189 A219 M220 L226 D227	R180-L223 HydrophobicContact CG-CD1 4.15Å; F183-L223 HydrophobicContact CD1-CB 4.34Å; F183-L223 HydrophobicContact CD1-CD1 4.08Å; F183-L223 HydrophobicContact CE1-CB 3.98Å; T184-L223 HydrophobicContact CG2-CD1 3.82Å; T184-L223 HydrophobicContact CG2-CD2 3.86Å; L189-L223 HydrophobicContact CD1-CB 4.31Å; L189-L223 HydrophobicContact CD1-CD2 3.89Å; A219-L223 WeakPolarHBondContact O-CB 3.31Å; A219-L223 PolarHBondContact O-N 2.9Å; M220-L223 PolarHBondContact O-N 3.5Å; M220-L223 VanDerWaalsContact O-N 3.16Å; L223-L226 PolarHBondContact O-N 3.38Å; L223-D227 WeakPolarHBondContact O-CB 3.32Å; L223-D227 PolarHBondContact O-N 2.98Å
224	E	91.8	Very high	89.1	Confident	81 Å²	81	68.5 Å²	68.5	38%	0.379	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-43.2	176.1	-73.8	-176.3	179.9	0	0	111.8	M220 E221 D227 W228	M220-E224 WeakPolarHBondContact O-CG 3.18Å; M220-E224 PolarHBondContact O-N 3.06Å; E221-E224 PolarHBondContact O-N 2.84Å; E224-D227 PolarHBondContact O-N 2.66Å; E224-W228 VanDerWaalsContact O-CB 3.31Å; E224-W228 WeakPolarHBondContact O-CB 3.32Å; E224-W228 PolarHBondContact O-N 2.74Å
225	E	91.5	Very high	88.9	Confident	54 Å²	54	69 Å²	69	25%	0.252	34%	0.342	S	S	.	.	H	α-helix	trans	-58.7	-45.1	172.6	-80.5	-92.7	131.3	0	0	112.3	L52 R58 E221 W228 C229	L52-E225 WeakPolarHBondContact CD1-OE2 3.47Å; R58-E225 IonicContact CZ-OE1 2.7Å; R58-E225 IonicContact NH1-OE1 3.74Å; R58-E225 PolarHBondContact NH1-OE1 2.75Å; R58-E225 IonicContact NH2-OE1 3.3Å; E221-E225 WeakPolarHBondContact O-CB 3.41Å; E221-E225 VanDerWaalsContact O-CG 3.3Å; E221-E225 WeakPolarHBondContact O-CG 3.45Å; E221-E225 PolarHBondContact O-N 3.31Å; E225-W228 PolarHBondContact O-N 2.69Å; E225-C229 WeakPolarHBondContact O-CB 3.36Å; E225-C229 PolarHBondContact O-N 2.99Å; E225-C229 PolarHBondContact O-SG 3.11Å
226	L	92.6	Very high	88.3	Confident	39 Å²	39	68.9 Å²	68.9	20%	0.204	35%	0.348	C	S	.	.	H	α-helix	trans	-66.8	-43.1	178.4	179.8	60.4	0	0	0	111.9	R180 T222 L223 W228 C229 L230	R180-L226 HydrophobicContact CB-CD2 3.71Å; R180-L226 HydrophobicContact CB-CG 4.36Å; R180-L226 HydrophobicContact CG-CD2 3.87Å; R180-L226 HydrophobicContact CG-CG 4.29Å; T222-L226 WeakPolarHBondContact O-CB 3.37Å; T222-L226 PolarHBondContact O-N 2.65Å; L223-L226 PolarHBondContact O-N 3.38Å; L226-W228 VanDerWaalsContact C-N 3.34Å; L226-C229 PolarHBondContact O-N 2.73Å; L226-L230 HydrophobicContact CG-CD1 4.48Å; L226-L230 WeakPolarHBondContact O-CG 3.46Å; L226-L230 PolarHBondContact O-N 3.04Å
227	D	92.3	Very high	87.4	Confident	49 Å²	49	67.9 Å²	67.9	26%	0.262	34%	0.343	S	S	.	.	H	α-helix	trans	-64.6	-40.1	177.4	-79.5	-15.1	0	0	0	110.9	R180 L223 E224 L230 D231	R180-D227 WeakPolarHBondContact CG-OD1 3.47Å; R180-D227 IonicContact CZ-OD1 3.86Å; R180-D227 IonicContact CZ-OD2 3.44Å; R180-D227 IonicContact NE-OD1 2.86Å; R180-D227 PolarHBondContact NE-OD1 3Å; R180-D227 IonicContact NE-OD2 2.76Å; R180-D227 IonicContact NH2-OD1 2.81Å; R180-D227 PolarHBondContact NH2-OD1 2.69Å; R180-D227 IonicContact NH2-OD2 3.15Å; R180-D227 PolarHBondContact NH2-OD2 3.14Å; L223-D227 WeakPolarHBondContact O-CB 3.32Å; L223-D227 PolarHBondContact O-N 2.98Å; E224-D227 PolarHBondContact O-N 2.66Å; D227-L230 PolarHBondContact O-N 3.25Å; D227-D231 WeakPolarHBondContact O-CB 3.38Å; D227-D231 PolarHBondContact O-N 3.06Å; D227-D231 VanDerWaalsContact O-N 3.07Å
228	W	90.1	Very high	86.5	Confident	67 Å²	67	65.4 Å²	65.4	25%	0.254	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-46.4	172.4	-179.7	85.8	0	0	0	111.5	L52 E224 E225 L226 L230 D231 Q232	L52-W228 HydrophobicContact CD2-CH2 4.08Å; L52-W228 HydrophobicContact CD2-CZ3 3.79Å; E224-W228 VanDerWaalsContact O-CB 3.31Å; E224-W228 WeakPolarHBondContact O-CB 3.32Å; E224-W228 PolarHBondContact O-N 2.74Å; E225-W228 PolarHBondContact O-N 2.69Å; L226-W228 VanDerWaalsContact C-N 3.34Å; W228-L230 VanDerWaalsContact C-N 3.31Å; W228-L230 PolarHBondContact O-N 3.26Å; W228-D231 PolarHBondContact O-N 3.08Å; W228-Q232 HydrophobicContact CD2-CG 3.82Å; W228-Q232 HydrophobicContact CE3-CG 4.08Å; W228-Q232 HydrophobicContact CG-CG 4.46Å; W228-Q232 HydrophobicContact CH2-CG 3.87Å; W228-Q232 HydrophobicContact CZ2-CG 3.59Å; W228-Q232 HydrophobicContact CZ3-CG 4.1Å; W228-Q232 WeakPolarHBondContact O-CG 3.24Å; W228-Q232 PolarHBondContact O-N 2.76Å
229	C	89.7	Confident	85.8	Confident	46 Å²	46	70.6 Å²	70.6	31%	0.311	35%	0.353	S	S	.	.	H	α-helix	trans	-59.7	-40.7	177.6	-71.7	0	0	0	0	112.5	E225 L226 Q232 L233	E225-C229 WeakPolarHBondContact O-CB 3.36Å; E225-C229 PolarHBondContact O-N 2.99Å; E225-C229 PolarHBondContact O-SG 3.11Å; L226-C229 PolarHBondContact O-N 2.73Å; C229-Q232 PolarHBondContact O-N 3.06Å; C229-L233 WeakPolarHBondContact O-CB 3.33Å; C229-L233 WeakPolarHBondContact O-CG 3.33Å; C229-L233 PolarHBondContact O-N 3.23Å
230	L	89.5	Confident	85.2	Confident	15 Å²	15	80.1 Å²	80.1	8%	0.079	39%	0.388	C	S	.	.	H	α-helix	trans	-64.1	-43.5	176.6	-77.4	175.4	0	0	0	111.8	L173 L176 R180 L226 D227 W228 L233 E234	L173-L230 HydrophobicContact CD1-CD2 4.07Å; L176-L230 HydrophobicContact CB-CD2 3.63Å; L176-L230 HydrophobicContact CD1-CD2 4.19Å; R180-L230 HydrophobicContact CB-CD1 4.1Å; R180-L230 HydrophobicContact CG-CD1 4.14Å; L226-L230 HydrophobicContact CG-CD1 4.48Å; L226-L230 WeakPolarHBondContact O-CG 3.46Å; L226-L230 PolarHBondContact O-N 3.04Å; D227-L230 PolarHBondContact O-N 3.25Å; W228-L230 VanDerWaalsContact C-N 3.31Å; W228-L230 PolarHBondContact O-N 3.26Å; L230-L233 PolarHBondContact O-N 3.37Å; L230-E234 WeakPolarHBondContact O-CG 3.17Å; L230-E234 PolarHBondContact O-N 3.05Å; L230-E234 VanDerWaalsContact O-N 3.09Å
231	D	88.7	Confident	84.7	Confident	78 Å²	78	77.3 Å²	77.3	42%	0.417	38%	0.378	S	S	.	.	H	α-helix	trans	-62.9	-42.9	175.7	-173.1	69.1	0	0	0	111.7	D227 W228 E234 T235	D227-D231 WeakPolarHBondContact O-CB 3.38Å; D227-D231 PolarHBondContact O-N 3.06Å; D227-D231 VanDerWaalsContact O-N 3.07Å; W228-D231 PolarHBondContact O-N 3.08Å; D231-E234 PolarHBondContact O-N 2.95Å; D231-T235 WeakPolarHBondContact O-CB 3.17Å; D231-T235 VanDerWaalsContact O-CG2 3.31Å; D231-T235 WeakPolarHBondContact O-CG2 3.46Å; D231-T235 PolarHBondContact O-N 3.48Å; D231-T235 PolarHBondContact O-OG1 2.85Å
232	Q	84.4	Confident	84.2	Confident	53 Å²	53	74.8 Å²	74.8	25%	0.248	37%	0.367	C	S	.	.	H	α-helix	trans	-63.2	-43	174.8	-67.7	-55.4	-62.9	0	0	112.6	W228 C229 E234 T235 I236	W228-Q232 HydrophobicContact CD2-CG 3.82Å; W228-Q232 HydrophobicContact CE3-CG 4.08Å; W228-Q232 HydrophobicContact CG-CG 4.46Å; W228-Q232 HydrophobicContact CH2-CG 3.87Å; W228-Q232 HydrophobicContact CZ2-CG 3.59Å; W228-Q232 HydrophobicContact CZ3-CG 4.1Å; W228-Q232 WeakPolarHBondContact O-CG 3.24Å; W228-Q232 PolarHBondContact O-N 2.76Å; C229-Q232 PolarHBondContact O-N 3.06Å; Q232-E234 VanDerWaalsContact C-N 3.28Å; Q232-E234 PolarHBondContact O-N 3.44Å; Q232-T235 VanDerWaalsContact CA-OG1 3.3Å; Q232-T235 WeakPolarHBondContact CA-OG1 3.31Å; Q232-T235 PolarHBondContact O-N 2.91Å; Q232-T235 PolarHBondContact O-OG1 3.38Å; Q232-T235 VanDerWaalsContact O-OG1 3.11Å; Q232-I236 HydrophobicContact CB-CD1 4.29Å; Q232-I236 VanDerWaalsContact O-CB 3.27Å; Q232-I236 WeakPolarHBondContact O-CB 3.36Å; Q232-I236 WeakPolarHBondContact O-CD1 3.45Å; Q232-I236 WeakPolarHBondContact O-CG1 3.33Å; Q232-I236 PolarHBondContact O-N 3.12Å
233	L	82.9	Confident	83.7	Confident	72 Å²	72	74.9 Å²	74.9	38%	0.377	37%	0.371	S	S	.	.	H	α-helix	trans	-61.1	-38.2	176.5	-77.9	171.8	0	0	0	112.2	F169 L176 C229 L230	F169-L233 HydrophobicContact CZ-CB 4.49Å; F169-L233 WeakPolarHBondContact CZ-O 3.34Å; L176-L233 HydrophobicContact CD1-CD1 3.84Å; C229-L233 WeakPolarHBondContact O-CB 3.33Å; C229-L233 WeakPolarHBondContact O-CG 3.33Å; C229-L233 PolarHBondContact O-N 3.23Å; L230-L233 PolarHBondContact O-N 3.37Å
234	E	81.8	Confident	83.2	Confident	72 Å²	72	79.1 Å²	79.1	34%	0.336	39%	0.39	S	S	.	.	H	α-helix	trans	-73.9	-36.2	178.4	-70.9	178.9	-156.1	0	0	112.4	L173 R177 L230 D231 Q232 Q237	L173-E234 HydrophobicContact CD1-CG 3.87Å; L173-E234 HydrophobicContact CD2-CG 3.86Å; L173-E234 HydrophobicContact CG-CG 4.48Å; R177-E234 IonicContact CZ-OE1 3.65Å; R177-E234 VanDerWaalsContact CZ-OE1 3.27Å; R177-E234 IonicContact NE-OE1 2.66Å; R177-E234 PolarHBondContact NE-OE1 3Å; R177-E234 VanDerWaalsContact NE-OE1 3.16Å; R177-E234 IonicContact NH2-OE1 3.74Å; R177-E234 PolarHBondContact NH2-OE1 3.25Å; R177-E234 IonicContact NH2-OE2 2.94Å; R177-E234 PolarHBondContact NH2-OE2 2.96Å; L230-E234 WeakPolarHBondContact O-CG 3.17Å; L230-E234 PolarHBondContact O-N 3.05Å; L230-E234 VanDerWaalsContact O-N 3.09Å; D231-E234 PolarHBondContact O-N 2.95Å; Q232-E234 VanDerWaalsContact C-N 3.28Å; Q232-E234 PolarHBondContact O-N 3.44Å; E234-Q237 WeakPolarHBondContact O-CB 3.29Å
235	T	80.8	Confident	82.7	Confident	88 Å²	88	79.5 Å²	79.5	54%	0.54	39%	0.393	S	S	.	.	H	α-helix	trans	-79.8	-35.9	-179.1	50.5	0	0	0	0	113.7	D231 Q232 Q237	D231-T235 WeakPolarHBondContact O-CB 3.17Å; D231-T235 VanDerWaalsContact O-CG2 3.31Å; D231-T235 WeakPolarHBondContact O-CG2 3.46Å; D231-T235 PolarHBondContact O-N 3.48Å; D231-T235 PolarHBondContact O-OG1 2.85Å; Q232-T235 VanDerWaalsContact CA-OG1 3.3Å; Q232-T235 WeakPolarHBondContact CA-OG1 3.31Å; Q232-T235 PolarHBondContact O-N 2.91Å; Q232-T235 PolarHBondContact O-OG1 3.38Å; Q232-T235 VanDerWaalsContact O-OG1 3.11Å; T235-Q237 PolarHBondContact O-N 3Å
236	I	73.7	Confident	82.3	Confident	120 Å²	120	78.2 Å²	78.2	62%	0.615	39%	0.391	S	S	*	.	S	Bend	trans	-69.3	-11.4	176	-68.5	168.2	0	0	0	111.7	Q232 T238	Q232-I236 HydrophobicContact CB-CD1 4.29Å; Q232-I236 VanDerWaalsContact O-CB 3.27Å; Q232-I236 WeakPolarHBondContact O-CB 3.36Å; Q232-I236 WeakPolarHBondContact O-CD1 3.45Å; Q232-I236 WeakPolarHBondContact O-CG1 3.33Å; Q232-I236 PolarHBondContact O-N 3.12Å; I236-T238 PolarHBondContact O-N 3.28Å
237	Q	67	Low	81.9	Confident	88 Å²	88	78.7 Å²	78.7	41%	0.411	40%	0.398	S	S	.	.			trans	-61	101.3	-176.8	-164.8	-173.9	-29.4	0	0	112.6	F169 E234 T235 V242	F169-Q237 HydrophobicContact CE1-CG 4.06Å; F169-Q237 HydrophobicContact CZ-CG 4.48Å; E234-Q237 WeakPolarHBondContact O-CB 3.29Å; T235-Q237 PolarHBondContact O-N 3Å; Q237-V242 HydrophobicContact CG-CG2 3.28Å
238	T	69.8	Low	81.5	Confident	81 Å²	81	78.4 Å²	78.4	50%	0.497	40%	0.396	S	S	.	.			trans	-88.3	145.2	165	68.8	0	0	0	0	110.5	I236 R240 S241 V242	I236-T238 PolarHBondContact O-N 3.28Å; T238-R240 PolarHBondContact O-N 2.91Å; T238-S241 PolarHBondContact O-N 3.28Å; T238-S241 PolarHBondContact O-OG 3.24Å; T238-S241 VanDerWaalsContact O-OG 3.07Å; T238-S241 WeakPolarHBondContact OG1-CB 3.27Å; T238-S241 PolarHBondContact OG1-N 3.04Å; T238-S241 PolarHBondContact OG1-OG 3.25Å; T238-V242 PolarHBondContact O-N 3.4Å
239	Y	76.6	Confident	81.1	Confident	217 Å²	217	78.7 Å²	78.7	85%	0.851	40%	0.399	S	S	*	.	H	α-helix	trans	-55.6	-35.4	177.1	-77.1	-85.8	0	0	0	112.4	S243	Y239-S243 VanDerWaalsContact O-CB 3.3Å; Y239-S243 WeakPolarHBondContact O-CB 3.37Å; Y239-S243 PolarHBondContact O-N 3.43Å; Y239-S243 VanDerWaalsContact O-N 3.17Å; Y239-S243 PolarHBondContact O-OG 3.26Å
240	R	78.7	Confident	80.9	Confident	206 Å²	206	80.9 Å²	80.9	78%	0.777	40%	0.403	S	S	*	.	H	α-helix	trans	-70.8	-43.9	179	-67	-155.6	-174.8	-146.1	7.7	112.4	T238 V242 S243 E244	T238-R240 PolarHBondContact O-N 2.91Å; R240-V242 PolarHBondContact O-N 3.37Å; R240-S243 WeakPolarHBondContact CA-OG 3.34Å; R240-S243 PolarHBondContact O-N 3.1Å; R240-S243 PolarHBondContact O-OG 3.31Å; R240-E244 WeakPolarHBondContact O-CB 3.32Å; R240-E244 PolarHBondContact O-N 3.43Å
241	S	79.9	Confident	80.6	Confident	39 Å²	39	82.5 Å²	82.5	27%	0.273	41%	0.41	S	S	.	.	H	α-helix	trans	-64.4	-42	-178.3	66.2	0	0	0	0	112.5	T238 E244 M245	T238-S241 PolarHBondContact O-N 3.28Å; T238-S241 PolarHBondContact O-OG 3.24Å; T238-S241 VanDerWaalsContact O-OG 3.07Å; T238-S241 WeakPolarHBondContact OG1-CB 3.27Å; T238-S241 PolarHBondContact OG1-N 3.04Å; T238-S241 PolarHBondContact OG1-OG 3.25Å; S241-E244 PolarHBondContact O-N 3.42Å; S241-M245 WeakPolarHBondContact O-CG 3.47Å; S241-M245 PolarHBondContact O-N 2.97Å; S241-M245 VanDerWaalsContact O-N 3.09Å
242	V	81.6	Confident	80.4	Confident	17 Å²	17	87.9 Å²	87.9	10%	0.103	43%	0.425	C	S	.	.	H	α-helix	trans	-68.8	-42.9	177.8	177	0	0	0	0	112.2	F169 Q237 T238 R240 E244 M245 A246	F169-V242 HydrophobicContact CB-CG1 4.2Å; F169-V242 HydrophobicContact CB-CG2 4.44Å; F169-V242 HydrophobicContact CD1-CG2 3.99Å; F169-V242 HydrophobicContact CE1-CG2 4.46Å; F169-V242 HydrophobicContact CG-CG2 4.11Å; Q237-V242 HydrophobicContact CG-CG2 3.28Å; T238-V242 PolarHBondContact O-N 3.4Å; R240-V242 PolarHBondContact O-N 3.37Å; V242-E244 VanDerWaalsContact C-N 3.29Å; V242-E244 PolarHBondContact O-N 2.9Å; V242-M245 PolarHBondContact O-N 3.35Å; V242-A246 PolarHBondContact O-N 3.44Å; V242-A246 VanDerWaalsContact O-N 3.09Å
243	S	81.2	Confident	80.5	Confident	68 Å²	68	87.5 Å²	87.5	48%	0.476	42%	0.423	S	S	.	.	H	α-helix	trans	-65.3	-35.2	177.7	59	0	0	0	0	111.8	Y239 R240 A246 S247	Y239-S243 VanDerWaalsContact O-CB 3.3Å; Y239-S243 WeakPolarHBondContact O-CB 3.37Å; Y239-S243 PolarHBondContact O-N 3.43Å; Y239-S243 VanDerWaalsContact O-N 3.17Å; Y239-S243 PolarHBondContact O-OG 3.26Å; R240-S243 WeakPolarHBondContact CA-OG 3.34Å; R240-S243 PolarHBondContact O-N 3.1Å; R240-S243 PolarHBondContact O-OG 3.31Å; S243-A246 PolarHBondContact O-N 2.7Å; S243-S247 WeakPolarHBondContact O-CB 3.22Å; S243-S247 PolarHBondContact O-N 3.07Å
244	E	83	Confident	80.6	Confident	112 Å²	112	85.2 Å²	85.2	52%	0.523	41%	0.411	S	S	.	.	H	α-helix	trans	-64.1	-47.3	173.8	-179.3	171.5	-169.5	0	0	112.1	R240 S241 V242 A246 S247 N248	R240-E244 WeakPolarHBondContact O-CB 3.32Å; R240-E244 PolarHBondContact O-N 3.43Å; S241-E244 PolarHBondContact O-N 3.42Å; V242-E244 VanDerWaalsContact C-N 3.29Å; V242-E244 PolarHBondContact O-N 2.9Å; E244-A246 VanDerWaalsContact C-N 3.29Å; E244-A246 PolarHBondContact O-N 2.93Å; E244-S247 PolarHBondContact O-N 2.87Å; E244-N248 WeakPolarHBondContact CG-ND2 3.25Å; E244-N248 VanDerWaalsContact O-CB 3.3Å; E244-N248 WeakPolarHBondContact O-CB 3.41Å; E244-N248 VanDerWaalsContact O-CG 3.32Å; E244-N248 PolarHBondContact O-N 3.16Å; E244-N248 PolarHBondContact O-ND2 3.13Å
245	M	80.8	Confident	80.9	Confident	89 Å²	89	85.2 Å²	85.2	44%	0.438	41%	0.413	S	S	.	.	H	α-helix	trans	-57.9	-43.1	176.1	-67.6	-178.4	-153.4	0	0	111.7	P168 F169 S241 V242 K249	P168-M245 HydrophobicContact CG-CB 3.9Å; F169-M245 HydrophobicContact CB-SD 4.33Å; F169-M245 HydrophobicContact CD2-SD 4.33Å; S241-M245 WeakPolarHBondContact O-CG 3.47Å; S241-M245 PolarHBondContact O-N 2.97Å; S241-M245 VanDerWaalsContact O-N 3.09Å; V242-M245 PolarHBondContact O-N 3.35Å; M245-K249 PolarHBondContact O-N 3.19Å
246	A	84.2	Confident	81.2	Confident	27 Å²	27	85.5 Å²	85.5	22%	0.223	41%	0.405	C	S	.	.	H	α-helix	trans	-66.2	-46.5	177.8	0	0	0	0	0	112.2	T167 V242 S243 E244 N248 K249 F250	T167-A246 HydrophobicContact CG2-CB 4.06Å; V242-A246 PolarHBondContact O-N 3.44Å; V242-A246 VanDerWaalsContact O-N 3.09Å; S243-A246 PolarHBondContact O-N 2.7Å; E244-A246 VanDerWaalsContact C-N 3.29Å; E244-A246 PolarHBondContact O-N 2.93Å; A246-N248 PolarHBondContact O-N 3.09Å; A246-K249 PolarHBondContact O-N 3.35Å; A246-F250 WeakPolarHBondContact O-CB 3.3Å; A246-F250 PolarHBondContact O-N 3.07Å
247	S	83.3	Confident	81.9	Confident	49 Å²	49	80.7 Å²	80.7	34%	0.343	38%	0.38	S	S	.	.	H	α-helix	trans	-59.9	-44.9	177.1	179.7	0	0	0	0	111.5	S243 E244 F250 K251	S243-S247 WeakPolarHBondContact O-CB 3.22Å; S243-S247 PolarHBondContact O-N 3.07Å; E244-S247 PolarHBondContact O-N 2.87Å; S247-F250 PolarHBondContact O-N 2.84Å; S247-K251 WeakPolarHBondContact O-CB 3.37Å; S247-K251 VanDerWaalsContact O-CG 3.31Å; S247-K251 WeakPolarHBondContact O-CG 3.31Å; S247-K251 PolarHBondContact O-N 3.49Å
248	N	83.4	Confident	82.9	Confident	42 Å²	42	76.9 Å²	76.9	23%	0.225	36%	0.362	C	S	.	.	H	α-helix	trans	-65.2	-41	177.9	-74.9	-26.3	0	0	0	112.3	E244 A246 K251 R252	E244-N248 WeakPolarHBondContact CG-ND2 3.25Å; E244-N248 VanDerWaalsContact O-CB 3.3Å; E244-N248 WeakPolarHBondContact O-CB 3.41Å; E244-N248 VanDerWaalsContact O-CG 3.32Å; E244-N248 PolarHBondContact O-N 3.16Å; E244-N248 PolarHBondContact O-ND2 3.13Å; A246-N248 PolarHBondContact O-N 3.09Å; N248-K251 PolarHBondContact O-N 3.2Å; N248-R252 WeakPolarHBondContact O-CG 3.46Å; N248-R252 PolarHBondContact O-N 2.99Å; N248-R252 VanDerWaalsContact O-N 3.08Å
249	K	83	Confident	83.8	Confident	73 Å²	73	76.7 Å²	76.7	32%	0.317	36%	0.361	S	S	.	.	H	α-helix	trans	-59.6	-48	172.1	-176.8	177.8	179	-178.5	0	110.8	P168 M245 A246 R252 M253	P168-K249 HydrophobicContact CB-CD 4.07Å; P168-K249 HydrophobicContact CG-CB 4.35Å; P168-K249 HydrophobicContact CG-CD 4.13Å; M245-K249 PolarHBondContact O-N 3.19Å; A246-K249 PolarHBondContact O-N 3.35Å; K249-R252 PolarHBondContact O-N 3.18Å; K249-M253 HydrophobicContact CG-SD 4.16Å; K249-M253 WeakPolarHBondContact O-CG 3.43Å; K249-M253 PolarHBondContact O-N 3.35Å
250	F	84.5	Confident	84.4	Confident	92 Å²	92	71.2 Å²	71.2	40%	0.404	34%	0.343	S	S	.	.	H	α-helix	trans	-61	-46.8	178.8	178.9	-93.7	0	0	0	112.3	F134 L135 A246 S247 R252 M253 L254	F134-F250 HydrophobicContact CE2-CE2 4.24Å; F134-F250 HydrophobicContact CZ-CE2 4.13Å; F134-F250 HydrophobicContact CZ-CZ 4.46Å; L135-F250 HydrophobicContact CD2-CD2 3.83Å; L135-F250 HydrophobicContact CD2-CE2 3.82Å; A246-F250 WeakPolarHBondContact O-CB 3.3Å; A246-F250 PolarHBondContact O-N 3.07Å; S247-F250 PolarHBondContact O-N 2.84Å; F250-R252 VanDerWaalsContact C-N 3.31Å; F250-R252 PolarHBondContact O-N 3.39Å; F250-M253 PolarHBondContact O-N 3.47Å; F250-L254 HydrophobicContact CE1-CD2 3.98Å; F250-L254 HydrophobicContact CZ-CD2 4.47Å; F250-L254 WeakPolarHBondContact O-CB 3.2Å; F250-L254 PolarHBondContact O-N 3.21Å
251	K	84.2	Confident	84.7	Confident	50 Å²	50	63 Å²	63	22%	0.217	31%	0.314	C	S	.	.	H	α-helix	trans	-57.2	-42.7	176.4	-74.3	175.8	-176.3	-178.4	0	111.8	S247 N248 L254 N255 L280	S247-K251 WeakPolarHBondContact O-CB 3.37Å; S247-K251 VanDerWaalsContact O-CG 3.31Å; S247-K251 WeakPolarHBondContact O-CG 3.31Å; S247-K251 PolarHBondContact O-N 3.49Å; N248-K251 PolarHBondContact O-N 3.2Å; K251-L254 PolarHBondContact O-N 2.98Å; K251-N255 WeakPolarHBondContact O-CB 3.3Å; K251-N255 PolarHBondContact O-N 3.02Å; K251-N255 PolarHBondContact O-ND2 3.22Å; K251-L280 HydrophobicContact CB-CD2 4.13Å; K251-L280 HydrophobicContact CG-CD2 4.36Å
252	R	84.2	Confident	85.2	Confident	191 Å²	191	62.9 Å²	62.9	72%	0.721	31%	0.313	S	S	*	.	H	α-helix	trans	-65.2	-46	176.8	-72	178.7	-171.2	156.9	3.8	112.3	N248 K249 F250 L254 N255 R256	N248-R252 WeakPolarHBondContact O-CG 3.46Å; N248-R252 PolarHBondContact O-N 2.99Å; N248-R252 VanDerWaalsContact O-N 3.08Å; K249-R252 PolarHBondContact O-N 3.18Å; F250-R252 VanDerWaalsContact C-N 3.31Å; F250-R252 PolarHBondContact O-N 3.39Å; R252-L254 VanDerWaalsContact C-N 3.34Å; R252-L254 PolarHBondContact O-N 3.24Å; R252-N255 PolarHBondContact O-N 3.39Å; R252-R256 PolarHBondContact O-N 3.34Å; R252-R256 VanDerWaalsContact O-N 3.1Å
253	M	85	Confident	85.7	Confident	45 Å²	45	69.3 Å²	69.3	22%	0.222	34%	0.342	C	S	.	.	H	α-helix	trans	-60.8	-44.3	176.2	-70.3	176.4	67.6	0	0	111.4	F134 K249 F250 R256 E257	F134-M253 HydrophobicContact CD2-CB 4.27Å; F134-M253 HydrophobicContact CD2-CE 4.23Å; F134-M253 HydrophobicContact CE2-CB 4.4Å; F134-M253 WeakPolarHBondContact O-CE 3.24Å; K249-M253 HydrophobicContact CG-SD 4.16Å; K249-M253 WeakPolarHBondContact O-CG 3.43Å; K249-M253 PolarHBondContact O-N 3.35Å; F250-M253 PolarHBondContact O-N 3.47Å; M253-R256 WeakPolarHBondContact O-CB 3.45Å; M253-R256 PolarHBondContact O-N 3.08Å; M253-E257 PolarHBondContact O-N 2.91Å
254	L	86.9	Confident	86	Confident	23 Å²	23	71.9 Å²	71.9	12%	0.12	35%	0.348	C	S	.	.	H	α-helix	trans	-63	-46.8	177.4	-176.6	59.6	0	0	0	111.2	F134 F250 K251 R252 R256 E257 L258 I275 L280	F134-L254 HydrophobicContact CZ-CD1 4.27Å; F250-L254 HydrophobicContact CE1-CD2 3.98Å; F250-L254 HydrophobicContact CZ-CD2 4.47Å; F250-L254 WeakPolarHBondContact O-CB 3.2Å; F250-L254 PolarHBondContact O-N 3.21Å; K251-L254 PolarHBondContact O-N 2.98Å; R252-L254 VanDerWaalsContact C-N 3.34Å; R252-L254 PolarHBondContact O-N 3.24Å; L254-R256 VanDerWaalsContact C-N 3.27Å; L254-R256 PolarHBondContact O-N 3.37Å; L254-E257 PolarHBondContact O-N 3.25Å; L254-E257 VanDerWaalsContact O-N 3.16Å; L254-L258 HydrophobicContact CD1-CD1 4.24Å; L254-L258 HydrophobicContact CD1-CD2 4.39Å; L254-L258 HydrophobicContact CD1-CG 4.09Å; L254-L258 HydrophobicContact CG-CD1 3.91Å; L254-L258 HydrophobicContact CG-CG 4.19Å; L254-L258 WeakPolarHBondContact O-CB 3.25Å; L254-L258 VanDerWaalsContact O-CG 3.25Å; L254-L258 WeakPolarHBondContact O-CG 3.25Å; L254-L258 PolarHBondContact O-N 2.78Å; L254-I275 HydrophobicContact CD2-CG2 4.49Å; L254-L280 HydrophobicContact CD2-CD1 3.62Å; L254-L280 HydrophobicContact CD2-CG 4.13Å; L254-L280 HydrophobicContact CG-CD1 3.99Å
255	N	86.3	Confident	86.2	Confident	72 Å²	72	69.4 Å²	69.4	39%	0.385	34%	0.343	S	S	.	.	H	α-helix	trans	-56	-39.6	175.9	-87.7	-37.5	0	0	0	113.1	K251 R252 L258 T259 L280	K251-N255 WeakPolarHBondContact O-CB 3.3Å; K251-N255 PolarHBondContact O-N 3.02Å; K251-N255 PolarHBondContact O-ND2 3.22Å; R252-N255 PolarHBondContact O-N 3.39Å; N255-L258 PolarHBondContact O-N 3.28Å; N255-T259 WeakPolarHBondContact O-CB 3.46Å; N255-T259 PolarHBondContact O-N 3.27Å; N255-T259 PolarHBondContact O-OG1 3.12Å; N255-L280 VanDerWaalsContact CG-CD2 3.48Å; N255-L280 VanDerWaalsContact ND2-CD2 3.29Å; N255-L280 WeakPolarHBondContact ND2-CD2 3.29Å; N255-L280 VanDerWaalsContact OD1-CD2 3.3Å; N255-L280 WeakPolarHBondContact OD1-CD2 3.38Å
256	R	87.7	Confident	86.5	Confident	95 Å²	95	75.1 Å²	75.1	36%	0.358	36%	0.36	S	S	.	.	H	α-helix	trans	-62.2	-46.9	176.5	-171.8	-173.4	-170.4	154.9	14.1	111.7	D139 Y142 R252 M253 L254 T259 H260	D139-R256 IonicContact OD1-NH1 3.38Å; D139-R256 PolarHBondContact OD1-NH1 2.67Å; Y142-R256 VanDerWaalsContact CE2-CZ 3.48Å; Y142-R256 VanDerWaalsContact CZ-NE 3.35Å; R252-R256 PolarHBondContact O-N 3.34Å; R252-R256 VanDerWaalsContact O-N 3.1Å; M253-R256 WeakPolarHBondContact O-CB 3.45Å; M253-R256 PolarHBondContact O-N 3.08Å; L254-R256 VanDerWaalsContact C-N 3.27Å; L254-R256 PolarHBondContact O-N 3.37Å; R256-T259 WeakPolarHBondContact O-CB 3.35Å; R256-T259 PolarHBondContact O-N 2.92Å; R256-H260 PolarHBondContact O-N 2.77Å; R256-H260 VanDerWaalsContact O-N 3.1Å
257	E	88.5	Confident	86.8	Confident	19 Å²	19	77.4 Å²	77.4	9%	0.089	37%	0.374	C	S	.	.	H	α-helix	trans	-65.9	-39	177.3	-72.3	-70.1	149.8	0	0	112.4	R131 F134 Y142 M253 L254 T259 H260 L261	R131-E257 IonicContact NH2-OE2 3.96Å; R131-E257 PolarHBondContact NH2-OE2 3.46Å; F134-E257 VanDerWaalsContact CB-CD 3.47Å; F134-E257 HydrophobicContact CB-CG 3.48Å; F134-E257 VanDerWaalsContact CB-CG 3.48Å; F134-E257 WeakPolarHBondContact CB-OE1 3.29Å; F134-E257 HydrophobicContact CD1-CG 4.17Å; F134-E257 HydrophobicContact CD2-CG 4.13Å; F134-E257 HydrophobicContact CG-CG 3.68Å; Y142-E257 PolarHBondContact OH-OE1 3.32Å; M253-E257 PolarHBondContact O-N 2.91Å; L254-E257 PolarHBondContact O-N 3.25Å; L254-E257 VanDerWaalsContact O-N 3.16Å; E257-T259 VanDerWaalsContact C-N 3.32Å; E257-H260 PolarHBondContact O-N 3.39Å; E257-L261 WeakPolarHBondContact O-CB 3.28Å; E257-L261 PolarHBondContact O-N 3.12Å
258	L	88.5	Confident	87	Confident	8 Å²	8	75.3 Å²	75.3	4%	0.042	36%	0.36	C	S	.	.	H	α-helix	trans	-67.7	-33.5	176.6	-67.6	-178	0	0	0	112	L254 N255 L261 S262 S272 I275 S276 L280	L254-L258 HydrophobicContact CD1-CD1 4.24Å; L254-L258 HydrophobicContact CD1-CD2 4.39Å; L254-L258 HydrophobicContact CD1-CG 4.09Å; L254-L258 HydrophobicContact CG-CD1 3.91Å; L254-L258 HydrophobicContact CG-CG 4.19Å; L254-L258 WeakPolarHBondContact O-CB 3.25Å; L254-L258 VanDerWaalsContact O-CG 3.25Å; L254-L258 WeakPolarHBondContact O-CG 3.25Å; L254-L258 PolarHBondContact O-N 2.78Å; N255-L258 PolarHBondContact O-N 3.28Å; L258-L261 HydrophobicContact CD2-CD2 4.46Å; L258-L261 PolarHBondContact O-N 2.94Å; L258-S262 VanDerWaalsContact O-CB 3.26Å; L258-S262 WeakPolarHBondContact O-CB 3.25Å; L258-S262 PolarHBondContact O-N 2.87Å; L258-S272 WeakPolarHBondContact CB-OG 3.48Å; L258-S272 WeakPolarHBondContact O-CB 3.34Å; L258-S272 PolarHBondContact O-OG 2.89Å; L258-I275 HydrophobicContact CD1-CB 4.15Å; L258-I275 HydrophobicContact CD1-CG2 3.73Å; L258-I275 HydrophobicContact CD2-CB 3.94Å; L258-I275 HydrophobicContact CD2-CD1 3.88Å; L258-I275 HydrophobicContact CD2-CG2 3.88Å; L258-I275 HydrophobicContact CG-CG2 4.43Å; L258-S276 WeakPolarHBondContact CD1-OG 3.47Å; L258-L280 HydrophobicContact CD1-CD1 3.51Å
259	T	88.4	Confident	87.4	Confident	77 Å²	77	76.5 Å²	76.5	47%	0.472	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-49.2	172.6	-56.8	0	0	0	0	110.4	N255 R256 E257 L261 S262 E263	N255-T259 WeakPolarHBondContact O-CB 3.46Å; N255-T259 PolarHBondContact O-N 3.27Å; N255-T259 PolarHBondContact O-OG1 3.12Å; R256-T259 WeakPolarHBondContact O-CB 3.35Å; R256-T259 PolarHBondContact O-N 2.92Å; E257-T259 VanDerWaalsContact C-N 3.32Å; T259-L261 VanDerWaalsContact C-N 3.34Å; T259-L261 PolarHBondContact O-N 2.85Å; T259-S262 WeakPolarHBondContact O-CB 3.29Å; T259-S262 PolarHBondContact O-N 3.2Å; T259-E263 PolarHBondContact O-N 3.01Å
260	H	89.2	Confident	87.7	Confident	101 Å²	101	78.3 Å²	78.3	47%	0.468	38%	0.376	S	S	.	.	H	α-helix	trans	-60.4	-43.4	175.8	-175.4	-94.7	0	0	0	111.7	R256 E257 S262 E263 M264	R256-H260 PolarHBondContact O-N 2.77Å; R256-H260 VanDerWaalsContact O-N 3.1Å; E257-H260 PolarHBondContact O-N 3.39Å; H260-S262 VanDerWaalsContact C-N 3.31Å; H260-S262 PolarHBondContact O-N 3.04Å; H260-E263 PolarHBondContact O-N 3.3Å; H260-M264 VanDerWaalsContact O-CG 3.28Å; H260-M264 WeakPolarHBondContact O-CG 3.38Å; H260-M264 PolarHBondContact O-N 3.05Å
261	L	85.5	Confident	87.9	Confident	34 Å²	34	77 Å²	77	18%	0.178	38%	0.376	C	S	.	.	H	α-helix	trans	-62.1	-38	176.5	-176.1	65.2	0	0	0	112.5	E257 L258 T259 E263 M264 G268 V271	E257-L261 WeakPolarHBondContact O-CB 3.28Å; E257-L261 PolarHBondContact O-N 3.12Å; L258-L261 HydrophobicContact CD2-CD2 4.46Å; L258-L261 PolarHBondContact O-N 2.94Å; T259-L261 VanDerWaalsContact C-N 3.34Å; T259-L261 PolarHBondContact O-N 2.85Å; L261-E263 VanDerWaalsContact C-N 3.31Å; L261-E263 PolarHBondContact O-N 3.33Å; L261-M264 HydrophobicContact CD1-SD 4.23Å; L261-M264 PolarHBondContact O-N 2.93Å; L261-G268 CarbonylContact O-C 3.51Å; L261-G268 WeakPolarHBondContact O-CA 3.44Å; L261-V271 HydrophobicContact CD2-CB 4.31Å; L261-V271 HydrophobicContact CD2-CG1 3.94Å
262	S	88.9	Confident	88.1	Confident	36 Å²	36	75.1 Å²	75.1	25%	0.252	37%	0.369	S	S	.	.	H	α-helix	trans	-63.2	-37.8	178.1	170.9	0	0	0	0	112.2	L258 T259 H260 N269	L258-S262 VanDerWaalsContact O-CB 3.26Å; L258-S262 WeakPolarHBondContact O-CB 3.25Å; L258-S262 PolarHBondContact O-N 2.87Å; T259-S262 WeakPolarHBondContact O-CB 3.29Å; T259-S262 PolarHBondContact O-N 3.2Å; H260-S262 VanDerWaalsContact C-N 3.31Å; H260-S262 PolarHBondContact O-N 3.04Å; S262-N269 PolarHBondContact OG-ND2 2.98Å
263	E	92.1	Very high	88.3	Confident	152 Å²	152	71.3 Å²	71.3	71%	0.71	36%	0.359	S	S	*	.	H	α-helix	trans	-75.4	-23.8	179.7	-68.1	176.2	-179.9	0	0	113.2	T259 H260 L261	T259-E263 PolarHBondContact O-N 3.01Å; H260-E263 PolarHBondContact O-N 3.3Å; L261-E263 VanDerWaalsContact C-N 3.31Å; L261-E263 PolarHBondContact O-N 3.33Å
264	M	88.8	Confident	88.4	Confident	122 Å²	122	76.1 Å²	76.1	60%	0.601	38%	0.376	S	S	*	.	H	α-helix	trans	-68.7	-35.9	-175.3	-73.1	166	69.5	0	0	114.2	H260 L261	H260-M264 VanDerWaalsContact O-CG 3.28Å; H260-M264 WeakPolarHBondContact O-CG 3.38Å; H260-M264 PolarHBondContact O-N 3.05Å; L261-M264 HydrophobicContact CD1-SD 4.23Å; L261-M264 PolarHBondContact O-N 2.93Å
265	S	87.6	Confident	88.5	Confident	60 Å²	60	77 Å²	77	42%	0.42	38%	0.38	S	S	.	.			trans	-168.8	163.3	179.7	64.6	0	0	0	0	112.2	S267 G268 N269	S265-S267 PolarHBondContact O-N 2.88Å; S265-G268 CarbonylContact O-C 3.58Å; S265-G268 WeakPolarHBondContact O-CA 3.49Å; S265-G268 PolarHBondContact O-N 2.97Å; S265-G268 PolarHBondContact OG-N 3.5Å; S265-N269 PolarHBondContact O-N 3.41Å
266	R	87.2	Confident	88.6	Confident	210 Å²	210	74.7 Å²	74.7	79%	0.792	37%	0.369	S	S	*	.	H	α-helix	trans	-56.8	-37.5	171.1	-175.1	178.5	178.3	-179.3	0.3	112.6	N269 Q270	R266-N269 PolarHBondContact O-N 3.46Å; R266-Q270 WeakPolarHBondContact O-CG 3.5Å; R266-Q270 PolarHBondContact O-N 3.42Å; R266-Q270 VanDerWaalsContact O-N 3.15Å
267	S	89.8	Confident	88.5	Confident	74 Å²	74	74.1 Å²	74.1	52%	0.517	37%	0.373	S	S	.	.	H	α-helix	trans	-68.1	-39.3	174.5	-173.9	0	0	0	0	111.5	S265 N269 Q270 V271	S265-S267 PolarHBondContact O-N 2.88Å; S267-N269 VanDerWaalsContact C-N 3.34Å; S267-Q270 PolarHBondContact O-N 2.95Å; S267-V271 WeakPolarHBondContact O-CG2 3.3Å; S267-V271 PolarHBondContact O-N 2.7Å
268	G	88.3	Confident	88.5	Confident	5 Å²	5	76.6 Å²	76.6	5%	0.052	39%	0.39	C	S	.	.	H	α-helix	trans	-63.5	-39.4	175.2	0	0	0	0	0	112.2	L261 S265 V271 S272	L261-G268 CarbonylContact O-C 3.51Å; L261-G268 WeakPolarHBondContact O-CA 3.44Å; S265-G268 CarbonylContact O-C 3.58Å; S265-G268 WeakPolarHBondContact O-CA 3.49Å; S265-G268 PolarHBondContact O-N 2.97Å; S265-G268 PolarHBondContact OG-N 3.5Å; G268-V271 PolarHBondContact O-N 2.84Å; G268-S272 WeakPolarHBondContact O-CB 3.49Å; G268-S272 PolarHBondContact O-N 3Å
269	N	90.2	Very high	88.3	Confident	67 Å²	67	82.8 Å²	82.8	36%	0.358	42%	0.417	S	S	.	.	H	α-helix	trans	-60.8	-46.4	172.7	-179.6	-100.4	0	0	0	112.4	S262 S265 R266 S267 V271 S272 E273	S262-N269 PolarHBondContact OG-ND2 2.98Å; S265-N269 PolarHBondContact O-N 3.41Å; R266-N269 PolarHBondContact O-N 3.46Å; S267-N269 VanDerWaalsContact C-N 3.34Å; N269-V271 PolarHBondContact O-N 3.1Å; N269-S272 WeakPolarHBondContact O-CB 3.39Å; N269-S272 PolarHBondContact O-N 2.83Å; N269-E273 WeakPolarHBondContact O-CB 3.45Å; N269-E273 PolarHBondContact O-N 3.21Å
270	Q	89	Confident	87.9	Confident	112 Å²	112	80 Å²	80	52%	0.523	40%	0.399	S	S	.	.	H	α-helix	trans	-62.4	-41.8	176.5	-71.1	178.2	-40.2	0	0	113	R266 S267 E273 Y274	R266-Q270 WeakPolarHBondContact O-CG 3.5Å; R266-Q270 PolarHBondContact O-N 3.42Å; R266-Q270 VanDerWaalsContact O-N 3.15Å; S267-Q270 PolarHBondContact O-N 2.95Å; Q270-E273 PolarHBondContact O-N 3.31Å; Q270-Y274 WeakPolarHBondContact O-CB 3.3Å; Q270-Y274 PolarHBondContact O-N 3.42Å
271	V	90.4	Very high	86.9	Confident	65 Å²	65	80.9 Å²	80.9	39%	0.394	41%	0.407	S	S	.	.	H	α-helix	trans	-67.1	-41.1	176.6	173.9	0	0	0	0	110.6	L261 S267 G268 N269 Y274 I275	L261-V271 HydrophobicContact CD2-CB 4.31Å; L261-V271 HydrophobicContact CD2-CG1 3.94Å; S267-V271 WeakPolarHBondContact O-CG2 3.3Å; S267-V271 PolarHBondContact O-N 2.7Å; G268-V271 PolarHBondContact O-N 2.84Å; N269-V271 PolarHBondContact O-N 3.1Å; V271-Y274 PolarHBondContact O-N 2.89Å; V271-I275 HydrophobicContact CG1-CD1 3.76Å; V271-I275 HydrophobicContact CG1-CG1 4.35Å; V271-I275 VanDerWaalsContact O-CG1 3.32Å; V271-I275 WeakPolarHBondContact O-CG1 3.32Å; V271-I275 PolarHBondContact O-N 3.18Å
272	S	87.7	Confident	85.7	Confident	10 Å²	10	83.6 Å²	83.6	7%	0.07	42%	0.418	C	S	.	.	H	α-helix	trans	-60.3	-45.2	176.4	178.3	0	0	0	0	111.8	L258 G268 N269 I275 S276	L258-S272 WeakPolarHBondContact CB-OG 3.48Å; L258-S272 WeakPolarHBondContact O-CB 3.34Å; L258-S272 PolarHBondContact O-OG 2.89Å; G268-S272 WeakPolarHBondContact O-CB 3.49Å; G268-S272 PolarHBondContact O-N 3Å; N269-S272 WeakPolarHBondContact O-CB 3.39Å; N269-S272 PolarHBondContact O-N 2.83Å; S272-I275 PolarHBondContact O-N 2.64Å; S272-S276 VanDerWaalsContact O-CB 3.24Å; S272-S276 WeakPolarHBondContact O-CB 3.28Å; S272-S276 PolarHBondContact O-N 3.32Å; S272-S276 PolarHBondContact O-OG 3.16Å
273	E	87.4	Confident	84	Confident	110 Å²	110	88.3 Å²	88.3	51%	0.514	44%	0.436	S	S	.	.	H	α-helix	trans	-63	-45.3	175.1	-175.4	176.9	-165.4	0	0	111.8	N269 Q270 I275 S276 N277	N269-E273 WeakPolarHBondContact O-CB 3.45Å; N269-E273 PolarHBondContact O-N 3.21Å; Q270-E273 PolarHBondContact O-N 3.31Å; E273-I275 PolarHBondContact O-N 3.04Å; E273-S276 PolarHBondContact O-N 3.1Å; E273-N277 WeakPolarHBondContact CG-ND2 3.29Å; E273-N277 VanDerWaalsContact O-CB 3.31Å; E273-N277 WeakPolarHBondContact O-CB 3.4Å; E273-N277 PolarHBondContact O-N 3.36Å; E273-N277 PolarHBondContact O-ND2 2.97Å
274	Y	88.8	Confident	81.8	Confident	146 Å²	146	87.6 Å²	87.6	57%	0.573	44%	0.437	S	S	*	.	H	α-helix	trans	-59.1	-49	176.6	174.5	-103.7	0	0	0	112.2	Q270 V271 N277 T278 F279	Q270-Y274 WeakPolarHBondContact O-CB 3.3Å; Q270-Y274 PolarHBondContact O-N 3.42Å; V271-Y274 PolarHBondContact O-N 2.89Å; Y274-N277 PolarHBondContact O-N 3.47Å; Y274-T278 VanDerWaalsContact O-CB 3.25Å; Y274-T278 WeakPolarHBondContact O-CB 3.35Å; Y274-T278 PolarHBondContact O-N 3.3Å; Y274-T278 VanDerWaalsContact O-N 3.07Å; Y274-T278 PolarHBondContact O-OG1 2.86Å; Y274-F279 HydrophobicContact CE1-CE2 4.48Å
275	I	88.9	Confident	79.3	Confident	43 Å²	43	86.4 Å²	86.4	22%	0.221	43%	0.433	C	S	.	.	H	α-helix	trans	-65.1	-44.3	179.9	-64.7	169.6	0	0	0	110.2	L254 L258 V271 S272 E273 N277 T278 F279	L254-I275 HydrophobicContact CD2-CG2 4.49Å; L258-I275 HydrophobicContact CD1-CB 4.15Å; L258-I275 HydrophobicContact CD1-CG2 3.73Å; L258-I275 HydrophobicContact CD2-CB 3.94Å; L258-I275 HydrophobicContact CD2-CD1 3.88Å; L258-I275 HydrophobicContact CD2-CG2 3.88Å; L258-I275 HydrophobicContact CG-CG2 4.43Å; V271-I275 HydrophobicContact CG1-CD1 3.76Å; V271-I275 HydrophobicContact CG1-CG1 4.35Å; V271-I275 VanDerWaalsContact O-CG1 3.32Å; V271-I275 WeakPolarHBondContact O-CG1 3.32Å; V271-I275 PolarHBondContact O-N 3.18Å; S272-I275 PolarHBondContact O-N 2.64Å; E273-I275 PolarHBondContact O-N 3.04Å; I275-N277 VanDerWaalsContact C-N 3.33Å; I275-N277 PolarHBondContact O-N 3.2Å; I275-T278 PolarHBondContact O-N 2.8Å; I275-F279 HydrophobicContact CB-CD2 4.45Å; I275-F279 HydrophobicContact CG2-CD2 4.01Å; I275-F279 PolarHBondContact O-N 3.18Å
276	S	86.9	Confident	77	Confident	22 Å²	22	88.4 Å²	88.4	15%	0.154	44%	0.442	C	S	.	.	H	α-helix	trans	-61.6	-39.8	179.4	-59.5	0	0	0	0	112.5	L258 S272 E273 L280	L258-S276 WeakPolarHBondContact CD1-OG 3.47Å; S272-S276 VanDerWaalsContact O-CB 3.24Å; S272-S276 WeakPolarHBondContact O-CB 3.28Å; S272-S276 PolarHBondContact O-N 3.32Å; S272-S276 PolarHBondContact O-OG 3.16Å; E273-S276 PolarHBondContact O-N 3.1Å; S276-L280 WeakPolarHBondContact O-CB 3.46Å
277	N	86.8	Confident	74.4	Confident	83 Å²	83	85.9 Å²	85.9	44%	0.444	44%	0.44	S	S	.	.	H	α-helix	trans	-79	-20.2	-179.6	-65.4	-17.6	0	0	0	113.3	E273 Y274 I275 K282	E273-N277 WeakPolarHBondContact CG-ND2 3.29Å; E273-N277 VanDerWaalsContact O-CB 3.31Å; E273-N277 WeakPolarHBondContact O-CB 3.4Å; E273-N277 PolarHBondContact O-N 3.36Å; E273-N277 PolarHBondContact O-ND2 2.97Å; Y274-N277 PolarHBondContact O-N 3.47Å; I275-N277 VanDerWaalsContact C-N 3.33Å; I275-N277 PolarHBondContact O-N 3.2Å; N277-K282 WeakPolarHBondContact OD1-CE 3.37Å; N277-K282 PolarHBondContact OD1-NZ 3.26Å
278	T	87.6	Confident	71.7	Confident	72 Å²	72	85.8 Å²	85.8	44%	0.442	43%	0.432	S	S	.	.	H	α-helix	trans	-101.4	-40.8	-173.5	-51.7	0	0	0	0	113.1	Y274 I275	Y274-T278 VanDerWaalsContact O-CB 3.25Å; Y274-T278 WeakPolarHBondContact O-CB 3.35Å; Y274-T278 PolarHBondContact O-N 3.3Å; Y274-T278 VanDerWaalsContact O-N 3.07Å; Y274-T278 PolarHBondContact O-OG1 2.86Å; I275-T278 PolarHBondContact O-N 2.8Å
279	F	85.6	Confident	69.1	Low	138 Å²	138	91.1 Å²	91.1	61%	0.605	47%	0.466	S	S	*	.	H	α-helix	trans	-115.6	-13.5	-170.1	-59.1	-75.8	0	0	0	114	Y274 I275	Y274-F279 HydrophobicContact CE1-CE2 4.48Å; I275-F279 HydrophobicContact CB-CD2 4.45Å; I275-F279 HydrophobicContact CG2-CD2 4.01Å; I275-F279 PolarHBondContact O-N 3.18Å
280	L	79.8	Confident	66.1	Low	17 Å²	17	91.3 Å²	91.3	9%	0.089	47%	0.473	C	S	.	.	S	Bend	trans	-99.7	124.3	169.3	-75.2	109.7	0	0	0	109.7	K251 L254 N255 L258 S276 K282	K251-L280 HydrophobicContact CB-CD2 4.13Å; K251-L280 HydrophobicContact CG-CD2 4.36Å; L254-L280 HydrophobicContact CD2-CD1 3.62Å; L254-L280 HydrophobicContact CD2-CG 4.13Å; L254-L280 HydrophobicContact CG-CD1 3.99Å; N255-L280 VanDerWaalsContact CG-CD2 3.48Å; N255-L280 VanDerWaalsContact ND2-CD2 3.29Å; N255-L280 WeakPolarHBondContact ND2-CD2 3.29Å; N255-L280 VanDerWaalsContact OD1-CD2 3.3Å; N255-L280 WeakPolarHBondContact OD1-CD2 3.38Å; L258-L280 HydrophobicContact CD1-CD1 3.51Å; S276-L280 WeakPolarHBondContact O-CB 3.46Å; L280-K282 PolarHBondContact O-N 2.82Å; L280-K282 VanDerWaalsContact O-N 3.08Å
281	D	68.7	Low	63.5	Low	120 Å²	120	91.9 Å²	91.9	64%	0.642	49%	0.486	S	S	*	.			trans	-67.7	107.1	166.9	-164.5	5.1	0	0	0	108.4	Q283	D281-Q283 PolarHBondContact O-N 3.2Å; D281-Q283 VanDerWaalsContact O-N 3.1Å
282	K	59.3	Low	60.8	Low	91 Å²	91	93.2 Å²	93.2	40%	0.396	49%	0.494	S	S	.	.			trans	-73.9	100.2	173.3	-70.8	-172.2	-175.1	176.3	0	107.2	N277 L280 N284 D285	N277-K282 WeakPolarHBondContact OD1-CE 3.37Å; N277-K282 PolarHBondContact OD1-NZ 3.26Å; L280-K282 PolarHBondContact O-N 2.82Å; L280-K282 VanDerWaalsContact O-N 3.08Å; K282-N284 PolarHBondContact O-N 2.95Å; K282-D285 HydrophobicContact CD-CB 4.03Å
283	Q	53	Low	58.6	Low	136 Å²	136	102.3 Å²	102.3	64%	0.636	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-8.2	166.1	-83.7	176.8	-17.8	0	0	113.2	D281	D281-Q283 PolarHBondContact O-N 3.2Å; D281-Q283 VanDerWaalsContact O-N 3.1Å
284	N	45.9	Very low	56.2	Low	136 Å²	136	106.4 Å²	106.4	73%	0.727	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.4	3.4	-170.6	-75.7	-21	0	0	0	118.3	K282	K282-N284 PolarHBondContact O-N 2.95Å
285	D	37.6	Very low	54.1	Low	97 Å²	97	104 Å²	104	52%	0.519	55%	0.549	S	S	.	.			trans	-153.2	97.2	175.3	-89.3	-46.9	0	0	0	112.8	K282	K282-D285 HydrophobicContact CD-CB 4.03Å
286	V	37.6	Very low	51.9	Low	103 Å²	103	112.7 Å²	112.7	62%	0.624	58%	0.579	S	S	*	*			trans	-88.3	103.2	162.1	-177.5	0	0	0	0	107.7	I288 Q504	V286-I288 HydrophobicContact CG1-CG1 4.13Å; V286-I288 PolarHBondContact O-N 2.86Å; V286-Q504 PolarHBondContact O-NE2 3.43Å
287	E	32.5	Very low	49.8	Very low	157 Å²	157	121 Å²	121	73%	0.734	62%	0.615	S	S	*	*			trans	-73.9	105.2	167.2	-78.2	-159.9	138.7	0	0	109.7
288	I	34.8	Very low	47.8	Very low	71 Å²	71	125.1 Å²	125.1	36%	0.364	63%	0.63	S	S	.	*			trans	-84.5	134	167.6	-61.3	168.2	0	0	0	107.7	V286 S290	V286-I288 HydrophobicContact CG1-CG1 4.13Å; V286-I288 PolarHBondContact O-N 2.86Å; I288-S290 PolarHBondContact O-N 3.29Å
289	P	32.9	Very low	45.7	Very low	118 Å²	118	127.6 Å²	127.6	77%	0.766	63%	0.634	S	S	*	*			trans	-58.7	108.4	167.8	-18.4	29.8	0	0	0	109
290	S	27.9	Very low	43.5	Very low	71 Å²	71	130 Å²	130	50%	0.497	64%	0.644	S	S	.	*			trans	-59.3	131	169.4	47.8	0	0	0	0	108.4	I288 T292	I288-S290 PolarHBondContact O-N 3.29Å; S290-T292 VanDerWaalsContact C-N 3.28Å; S290-T292 PolarHBondContact O-N 3.44Å
291	P	32.8	Very low	41.5	Very low	124 Å²	124	138.9 Å²	138.9	81%	0.805	68%	0.682	S	S	*	*			trans	-68.4	91.9	172.6	27.3	-30.6	0	0	0	108.1	Q293	P291-Q293 PolarHBondContact O-N 3.24Å
292	T	34.7	Very low	40.1	Very low	92 Å²	92	140.3 Å²	140.3	56%	0.564	69%	0.685	S	S	*	*			trans	-67.4	131.5	168.9	45.6	0	0	0	0	107.8	S290 K294	S290-T292 VanDerWaalsContact C-N 3.28Å; S290-T292 PolarHBondContact O-N 3.44Å; T292-K294 PolarHBondContact O-N 2.87Å
293	Q	41.8	Very low	39.2	Very low	201 Å²	201	140.3 Å²	140.3	94%	0.939	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	15	-178.2	-73.6	179.9	-37.3	0	0	114.5	P291	P291-Q293 PolarHBondContact O-N 3.24Å
294	K	37.4	Very low	38.3	Very low	197 Å²	197	141 Å²	141	86%	0.857	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	-0.4	-174.4	-97	-175.4	173.9	-179	0	116.8	T292	T292-K294 PolarHBondContact O-N 2.87Å
295	D	42.7	Very low	37.9	Very low	94 Å²	94	143.5 Å²	143.5	50%	0.503	70%	0.703	S	S	.	*			trans	-110.2	40.6	-179.7	-86.1	-47.3	0	0	0	114.3	E297	D295-E297 PolarHBondContact O-N 2.99Å
296	R	42.9	Very low	38.4	Very low	226 Å²	226	143.1 Å²	143.1	85%	0.853	71%	0.705	S	S	*	*	S	Bend	trans	-69.8	-13.5	178.6	-102.5	-178.2	169.2	175.4	-2.6	114.5
297	E	42.9	Very low	38.7	Very low	196 Å²	196	144.5 Å²	144.5	92%	0.916	70%	0.704	S	S	*	*	S	Bend	trans	-99.4	-19	-174	-72.5	-172.7	149.1	0	0	115.9	D295	D295-E297 PolarHBondContact O-N 2.99Å
298	K	44.6	Very low	39.9	Very low	171 Å²	171	138.9 Å²	138.9	74%	0.743	68%	0.679	S	S	*	*	S	Bend	trans	-88.6	-1.8	-179.7	-75.6	-179.6	177.9	173.6	0	115.1	K300	K298-K300 PolarHBondContact O-N 3.35Å
299	K	45.1	Very low	40.5	Very low	124 Å²	124	139.2 Å²	139.2	54%	0.539	69%	0.687	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.1	-10.1	-166.7	-86.6	-176.7	171.2	-175.9	0	117.7	K301 Q303	K299-K301 PolarHBondContact O-N 3.45Å; K299-Q303 VanDerWaalsContact O-CG 3.29Å; K299-Q303 WeakPolarHBondContact O-CG 3.49Å
300	K	38.8	Very low	41.1	Very low	189 Å²	189	135.8 Å²	135.8	82%	0.822	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-19.5	-174.9	-85	-175.1	174.2	-178.6	0	115.8	K298	K298-K300 PolarHBondContact O-N 3.35Å
301	K	37.5	Very low	42.4	Very low	202 Å²	202	133.8 Å²	133.8	88%	0.878	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-18.6	179.7	-85.5	-175	172.8	-176.1	0	114.9	K299	K299-K301 PolarHBondContact O-N 3.45Å
302	Q	39.6	Very low	43.3	Very low	150 Å²	150	135.9 Å²	135.9	70%	0.701	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-5.8	176.7	-105	168.3	-2.6	0	0	113.6	L304 T306	Q302-L304 PolarHBondContact O-N 3.11Å; Q302-T306 PolarHBondContact O-OG1 3.34Å; Q302-T306 VanDerWaalsContact O-OG1 3.12Å
303	Q	39.7	Very low	44	Very low	91 Å²	91	139 Å²	139	43%	0.425	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-63.3	-23.6	-177.7	-94.9	168.9	-3.1	0	0	114.3	K299 T306 Q307	K299-Q303 VanDerWaalsContact O-CG 3.29Å; K299-Q303 WeakPolarHBondContact O-CG 3.49Å; Q303-T306 WeakPolarHBondContact CA-OG1 3.44Å; Q303-T306 PolarHBondContact O-N 2.73Å; Q303-T306 PolarHBondContact O-OG1 3.08Å; Q303-Q307 WeakPolarHBondContact O-CG 3.35Å; Q303-Q307 PolarHBondContact O-N 2.89Å
304	L	35	Very low	44.5	Very low	152 Å²	152	133 Å²	133	80%	0.796	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-73.3	-28.9	-176	-76.4	160.5	0	0	0	114.2	Q302	Q302-L304 PolarHBondContact O-N 3.11Å
305	M	37	Very low	44.7	Very low	188 Å²	188	132 Å²	132	93%	0.926	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-93.1	-2.4	175.2	-72.6	-144.2	-65.6	0	0	113.6
306	T	47.3	Very low	44.6	Very low	89 Å²	89	131.9 Å²	131.9	55%	0.546	63%	0.631	S	S	.	*	S	Bend	trans	-113	2.1	-176.9	46.5	0	0	0	0	113.5	Q302 Q303	Q302-T306 PolarHBondContact O-OG1 3.34Å; Q302-T306 VanDerWaalsContact O-OG1 3.12Å; Q303-T306 WeakPolarHBondContact CA-OG1 3.44Å; Q303-T306 PolarHBondContact O-N 2.73Å; Q303-T306 PolarHBondContact O-OG1 3.08Å
307	Q	45.2	Very low	44.1	Very low	132 Å²	132	125.6 Å²	125.6	62%	0.617	62%	0.622	S	S	*	*			trans	-91.8	108.2	168.8	-75.8	-179.3	-8.3	0	0	108.1	Q303 S309	Q303-Q307 WeakPolarHBondContact O-CG 3.35Å; Q303-Q307 PolarHBondContact O-N 2.89Å; Q307-S309 PolarHBondContact O-N 3.49Å
308	I	56.6	Low	43.7	Very low	38 Å²	38	121.1 Å²	121.1	20%	0.195	61%	0.612	C	S	.	*			trans	-72.4	103.6	162	-58.1	169.3	0	0	0	104.7	G310 V311 A481 K485	I308-G310 PolarHBondContact O-N 3.34Å; I308-V311 HydrophobicContact CB-CG2 4.07Å; I308-V311 HydrophobicContact CG2-CG2 4.09Å; I308-V311 PolarHBondContact O-N 3.03Å; I308-A481 HydrophobicContact CD1-CB 3.82Å; I308-K485 HydrophobicContact CD1-CB 4.24Å; I308-K485 HydrophobicContact CD1-CG 4.41Å
309	S	47.9	Very low	43.3	Very low	78 Å²	78	117.5 Å²	117.5	55%	0.545	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.5	109.5	169.6	-80.2	0	0	0	0	107.8	Q307	Q307-S309 PolarHBondContact O-N 3.49Å
310	G	46.5	Very low	43.3	Very low	46 Å²	46	116 Å²	116	47%	0.474	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	139.7	-33.1	-178.9	0	0	0	0	0	114.4	I308 K312	I308-G310 PolarHBondContact O-N 3.34Å; G310-K312 VanDerWaalsContact C-N 3.32Å; G310-K312 PolarHBondContact O-N 3.48Å
311	V	55	Low	43.3	Very low	30 Å²	30	113.5 Å²	113.5	18%	0.182	60%	0.602	C	S	.	*			trans	-73	88.8	177.3	-174.5	0	0	0	0	109	I308 K313 V482 L486	I308-V311 HydrophobicContact CB-CG2 4.07Å; I308-V311 HydrophobicContact CG2-CG2 4.09Å; I308-V311 PolarHBondContact O-N 3.03Å; V311-K313 PolarHBondContact O-N 2.92Å; V311-V482 HydrophobicContact CG2-CG2 4.1Å; V311-L486 HydrophobicContact CG1-CD2 4.22Å
312	K	51.7	Low	43.3	Very low	167 Å²	167	109.4 Å²	109.4	73%	0.726	59%	0.589	S	S	*	*			trans	-61.8	121.4	173	-74.1	176.3	-176.5	164.6	0	107.2	G310 L314	G310-K312 VanDerWaalsContact C-N 3.32Å; G310-K312 PolarHBondContact O-N 3.48Å; K312-L314 VanDerWaalsContact C-N 3.26Å; K312-L314 PolarHBondContact O-N 3.26Å
313	K	48.8	Very low	43.5	Very low	159 Å²	159	109.5 Å²	109.5	69%	0.691	60%	0.6	S	S	*	*			trans	-66.6	90.6	170	-169.1	179.7	-175.1	-176.5	0	108.3	V311 M315	V311-K313 PolarHBondContact O-N 2.92Å; K313-M315 PolarHBondContact O-N 2.92Å; K313-M315 VanDerWaalsContact O-N 3.11Å
314	L	51.8	Low	44.1	Very low	73 Å²	73	108.9 Å²	108.9	38%	0.382	61%	0.606	S	S	.	*			trans	-63.3	113.1	170.8	-83.4	109.9	0	0	0	107.6	K312 H316 D397	K312-L314 VanDerWaalsContact C-N 3.26Å; K312-L314 PolarHBondContact O-N 3.26Å; L314-H316 PolarHBondContact O-N 2.79Å; L314-H316 VanDerWaalsContact O-N 3.11Å; L314-D397 HydrophobicContact CD1-CB 4.39Å; L314-D397 HydrophobicContact CD2-CB 3.98Å
315	M	42.6	Very low	45.4	Very low	178 Å²	178	106.2 Å²	106.2	88%	0.877	59%	0.592	S	S	*	*			trans	-77	94.8	170.1	-69.8	-174.5	66.1	0	0	107.2	K313 S317	K313-M315 PolarHBondContact O-N 2.92Å; K313-M315 VanDerWaalsContact O-N 3.11Å; M315-S317 PolarHBondContact O-N 2.81Å
316	H	41.1	Very low	47.1	Very low	91 Å²	91	98.1 Å²	98.1	42%	0.421	55%	0.553	S	S	.	*			trans	-60.5	111.8	165.7	-71.6	-61.3	0	0	0	108.2	L314 S318 T394 D397	L314-H316 PolarHBondContact O-N 2.79Å; L314-H316 VanDerWaalsContact O-N 3.11Å; H316-S318 PolarHBondContact O-N 2.84Å; H316-T394 PolarHBondContact NE2-OG1 3.13Å; H316-D397 IonicContact CE1-OD2 3.57Å; H316-D397 PolarHBondContact CE1-OD2 3.09Å; H316-D397 IonicContact ND1-OD2 3.43Å
317	S	31.4	Very low	49.1	Very low	94 Å²	94	101.5 Å²	101.5	66%	0.657	56%	0.556	S	S	*	*			trans	-59	124.2	157	60.7	0	0	0	0	106.2	M315 S319	M315-S317 PolarHBondContact O-N 2.81Å; S317-S319 PolarHBondContact O-N 2.8Å; S317-S319 PolarHBondContact O-OG 3.23Å
318	S	34.8	Very low	51.2	Low	101 Å²	101	96.1 Å²	96.1	71%	0.706	53%	0.531	S	S	*	.			trans	-59.9	71.6	174.9	33.2	0	0	0	0	111.9	H316	H316-S318 PolarHBondContact O-N 2.84Å
319	S	36.3	Very low	52.8	Low	96 Å²	96	94.3 Å²	94.3	67%	0.671	52%	0.521	S	S	*	.			trans	-89.3	-9.2	173.5	54.6	0	0	0	0	112.2	S317 N321	S317-S319 PolarHBondContact O-N 2.8Å; S317-S319 PolarHBondContact O-OG 3.23Å; S319-N321 PolarHBondContact O-N 2.96Å
320	L	45.1	Very low	54.9	Low	92 Å²	92	90.7 Å²	90.7	48%	0.482	50%	0.496	S	S	.	.			trans	-79.9	59.2	166.7	-66.4	169.8	0	0	0	110.8	M393	L320-M393 HydrophobicContact CD1-SD 4.24Å
321	N	37.8	Very low	56.9	Low	137 Å²	137	92.7 Å²	92.7	73%	0.733	50%	0.496	S	S	*	.			trans	-100.2	11.6	163.1	-86.3	-15.3	0	0	0	111.9	S319 T323	S319-N321 PolarHBondContact O-N 2.96Å; N321-T323 PolarHBondContact O-N 2.9Å
322	N	39	Very low	58.6	Low	115 Å²	115	91.9 Å²	91.9	62%	0.615	49%	0.491	S	S	*	.			trans	-85.4	104.6	170.3	-113.8	5.3	0	0	0	109.4	S324	N322-S324 PolarHBondContact O-N 3.25Å
323	T	42.5	Very low	60.4	Low	153 Å²	153	90.8 Å²	90.8	94%	0.939	49%	0.488	S	S	*	.			trans	-66.9	13.6	178.8	45.9	0	0	0	0	114.7	N321	N321-T323 PolarHBondContact O-N 2.9Å
324	S	53.5	Low	62.5	Low	77 Å²	77	85.8 Å²	85.8	54%	0.538	47%	0.469	S	S	.	.	S	Bend	trans	-112.8	109.9	170.8	61.9	0	0	0	0	109	N322 S326	N322-S324 PolarHBondContact O-N 3.25Å; S324-S326 PolarHBondContact O-N 2.97Å; S324-S326 VanDerWaalsContact O-N 3.15Å
325	I	62	Low	64.4	Low	97 Å²	97	86 Å²	86	50%	0.497	47%	0.468	S	S	.	.			trans	-47.1	120.6	166.8	-89	158.6	0	0	0	108.6
326	S	73.4	Confident	66.8	Low	17 Å²	17	83.7 Å²	83.7	12%	0.119	46%	0.46	C	S	.	.			trans	-68.5	137.8	176.3	55.7	0	0	0	0	109.3	S324 F328 G329 V330	S324-S326 PolarHBondContact O-N 2.97Å; S324-S326 VanDerWaalsContact O-N 3.15Å; S326-F328 PolarHBondContact O-N 3.32Å; S326-F328 VanDerWaalsContact O-N 3.08Å; S326-G329 PolarHBondContact O-N 3.05Å; S326-G329 WeakPolarHBondContact OG-CA 3.34Å; S326-G329 PolarHBondContact OG-N 3.1Å; S326-V330 VanDerWaalsContact CB-O 3.24Å; S326-V330 WeakPolarHBondContact CB-O 3.41Å; S326-V330 PolarHBondContact OG-N 3.39Å; S326-V330 PolarHBondContact OG-O 3.08Å
327	R	87.8	Confident	69.4	Low	161 Å²	161	84 Å²	84	61%	0.608	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.1	-174	179.8	176.1	173.6	-169.5	-3.2	113.3
328	F	90.4	Very high	72.5	Confident	19 Å²	19	79.6 Å²	79.6	8%	0.083	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	12.1	-174.7	-50.9	-72	0	0	0	113.3	S326 V330 E335 L338 A339 L342	S326-F328 PolarHBondContact O-N 3.32Å; S326-F328 VanDerWaalsContact O-N 3.08Å; F328-V330 HydrophobicContact CB-CG2 4.25Å; F328-V330 PolarHBondContact O-N 3.4Å; F328-V330 VanDerWaalsContact O-N 3.17Å; F328-E335 HydrophobicContact CD2-CG 4.44Å; F328-E335 HydrophobicContact CE2-CB 3.97Å; F328-E335 HydrophobicContact CE2-CG 4.16Å; F328-L338 HydrophobicContact CB-CD2 3.93Å; F328-L338 HydrophobicContact CD2-CD2 4.01Å; F328-L338 HydrophobicContact CG-CD2 3.99Å; F328-L338 HydrophobicContact CG-CG 4.49Å; F328-A339 HydrophobicContact CE1-CB 4.19Å; F328-A339 HydrophobicContact CZ-CB 3.7Å; F328-L342 HydrophobicContact CD1-CD1 3.51Å; F328-L342 HydrophobicContact CE1-CD1 4.01Å; F328-L342 HydrophobicContact CG-CD1 4.28Å
329	G	89.9	Confident	75.4	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	40%	0.404	C	S	.	.	S	Bend	trans	74.9	-6.1	-176.2	0	0	0	0	0	115	S326 Y369	S326-G329 PolarHBondContact O-N 3.05Å; S326-G329 WeakPolarHBondContact OG-CA 3.34Å; S326-G329 PolarHBondContact OG-N 3.1Å; G329-Y369 VanDerWaalsContact N-CD1 3.34Å
330	V	91.8	Very high	78.3	Confident	2 Å²	2	77.5 Å²	77.5	1%	0.012	40%	0.399	C	S	.	.	S	Bend	trans	-125.6	151.2	177.2	-62.7	0	0	0	0	110.6	S326 F328 L338 R362 T365 C366	S326-V330 VanDerWaalsContact CB-O 3.24Å; S326-V330 WeakPolarHBondContact CB-O 3.41Å; S326-V330 PolarHBondContact OG-N 3.39Å; S326-V330 PolarHBondContact OG-O 3.08Å; F328-V330 HydrophobicContact CB-CG2 4.25Å; F328-V330 PolarHBondContact O-N 3.4Å; F328-V330 VanDerWaalsContact O-N 3.17Å; V330-L338 HydrophobicContact CG2-CD2 3.93Å; V330-R362 HydrophobicContact CG1-CB 3.8Å; V330-T365 HydrophobicContact CG1-CG2 3.9Å; V330-C366 HydrophobicContact CG1-CB 4.15Å; V330-C366 HydrophobicContact CG2-CB 4.27Å
331	N	89.2	Confident	80.7	Confident	88 Å²	88	74.5 Å²	74.5	47%	0.471	38%	0.383	S	S	.	.			trans	-92.9	121.3	173	-67.6	-36.4	0	0	0	108.6	H360	N331-H360 PolarHBondContact O-CD2 3.37Å; N331-H360 VanDerWaalsContact O-CD2 3.3Å
332	T	89.4	Confident	83.6	Confident	13 Å²	13	69 Å²	69	8%	0.08	35%	0.353	C	S	.	.			trans	-149.9	146.2	177.8	-178.9	0	0	0	0	110.6	N334 E335 L338 Y358	T332-N334 VanDerWaalsContact C-N 3.27Å; T332-N334 PolarHBondContact OG1-N 3.25Å; T332-E335 HydrophobicContact CG2-CG 4.07Å; T332-E335 WeakPolarHBondContact O-CG 3.16Å; T332-L338 HydrophobicContact CG2-CD2 3.92Å; T332-Y358 VanDerWaalsContact CB-O 3.3Å; T332-Y358 WeakPolarHBondContact CB-O 3.49Å; T332-Y358 WeakPolarHBondContact CG2-O 3.37Å; T332-Y358 PolarHBondContact OG1-O 3.29Å
333	E	90.5	Very high	86.3	Confident	143 Å²	143	70.7 Å²	70.7	67%	0.668	36%	0.358	S	S	*	.	S	Bend	trans	-75.6	-17	168.3	60.9	-85.3	-164.3	0	0	112.7	E335 H360	E333-E335 VanDerWaalsContact C-N 3.3Å; E333-E335 PolarHBondContact O-N 3.4Å; E333-H360 IonicContact OE1-CE1 3.04Å; E333-H360 PolarHBondContact OE1-CE1 2.96Å; E333-H360 VanDerWaalsContact OE1-CE1 3.3Å; E333-H360 IonicContact OE1-NE2 3.37Å; E333-H360 PolarHBondContact OE1-NE2 3.49Å; E333-H360 IonicContact OE2-CD2 3.61Å; E333-H360 IonicContact OE2-CE1 3.86Å; E333-H360 PolarHBondContact OE2-CE1 2.83Å; E333-H360 IonicContact OE2-NE2 3.71Å; E333-H360 PolarHBondContact OE2-NE2 2.84Å
334	N	91.2	Very high	89	Confident	55 Å²	55	65.6 Å²	65.6	29%	0.294	33%	0.325	S	S	.	.			trans	-93.9	34.4	-176.7	-62.7	-47.5	0	0	0	112.7	T332 D336 H337 L338 Y358	T332-N334 VanDerWaalsContact C-N 3.27Å; T332-N334 PolarHBondContact OG1-N 3.25Å; N334-D336 VanDerWaalsContact C-N 3.28Å; N334-D336 PolarHBondContact O-N 3.02Å; N334-H337 PolarHBondContact O-N 3Å; N334-L338 PolarHBondContact O-N 3.49Å; N334-Y358 HydrophobicContact CB-CD1 4.06Å
335	E	92.2	Very high	91.1	Very high	76 Å²	76	62.5 Å²	62.5	36%	0.355	30%	0.302	S	S	.	.	H	α-helix	trans	-54.4	-39.6	-175.1	-72.6	-163.2	-169.6	0	0	113.4	F328 T332 E333 L338 A339	F328-E335 HydrophobicContact CD2-CG 4.44Å; F328-E335 HydrophobicContact CE2-CB 3.97Å; F328-E335 HydrophobicContact CE2-CG 4.16Å; T332-E335 HydrophobicContact CG2-CG 4.07Å; T332-E335 WeakPolarHBondContact O-CG 3.16Å; E333-E335 VanDerWaalsContact C-N 3.3Å; E333-E335 PolarHBondContact O-N 3.4Å; E335-L338 PolarHBondContact O-N 3.18Å; E335-A339 VanDerWaalsContact O-CB 3.28Å; E335-A339 WeakPolarHBondContact O-CB 3.23Å; E335-A339 PolarHBondContact O-N 3.46Å
336	D	94.4	Very high	92.8	Very high	131 Å²	131	61.5 Å²	61.5	70%	0.701	30%	0.298	S	S	*	.	H	α-helix	trans	-69.2	-39.2	-178.7	-68.5	-30.9	0	0	0	112.6	N334 K340	N334-D336 VanDerWaalsContact C-N 3.28Å; N334-D336 PolarHBondContact O-N 3.02Å; D336-K340 PolarHBondContact O-N 3.29Å; D336-K340 VanDerWaalsContact O-N 3.13Å
337	H	95.4	Very high	94	Very high	98 Å²	98	66.2 Å²	66.2	45%	0.454	32%	0.316	S	S	.	.	H	α-helix	trans	-69.1	-43.1	176.2	-67	86.6	0	0	0	110.3	N334 A339 K340 E341 Y358	N334-H337 PolarHBondContact O-N 3Å; H337-A339 VanDerWaalsContact C-N 3.34Å; H337-A339 PolarHBondContact O-N 3.26Å; H337-K340 WeakPolarHBondContact O-CB 3.48Å; H337-K340 PolarHBondContact O-N 3.13Å; H337-E341 PolarHBondContact O-N 3.3Å; H337-E341 VanDerWaalsContact O-N 3.12Å; H337-Y358 HydrophobicContact CB-CD1 3.76Å; H337-Y358 HydrophobicContact CB-CD2 3.88Å; H337-Y358 HydrophobicContact CB-CE1 3.75Å; H337-Y358 HydrophobicContact CB-CE2 3.86Å; H337-Y358 HydrophobicContact CB-CG 3.84Å
338	L	95.5	Very high	94.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-42.7	175.6	-174	60.2	0	0	0	111.6	F328 V330 T332 N334 E335 K340 E341 L342 V355	F328-L338 HydrophobicContact CB-CD2 3.93Å; F328-L338 HydrophobicContact CD2-CD2 4.01Å; F328-L338 HydrophobicContact CG-CD2 3.99Å; F328-L338 HydrophobicContact CG-CG 4.49Å; V330-L338 HydrophobicContact CG2-CD2 3.93Å; T332-L338 HydrophobicContact CG2-CD2 3.92Å; N334-L338 PolarHBondContact O-N 3.49Å; E335-L338 PolarHBondContact O-N 3.18Å; L338-K340 VanDerWaalsContact C-N 3.29Å; L338-K340 PolarHBondContact O-N 2.88Å; L338-E341 PolarHBondContact O-N 3.02Å; L338-L342 HydrophobicContact CD1-CD1 4.36Å; L338-L342 HydrophobicContact CD1-CG 4.41Å; L338-L342 HydrophobicContact CG-CD1 4.05Å; L338-L342 HydrophobicContact CG-CG 4.5Å; L338-L342 WeakPolarHBondContact O-CB 3.5Å; L338-L342 VanDerWaalsContact O-CG 3.25Å; L338-L342 WeakPolarHBondContact O-CG 3.38Å; L338-L342 PolarHBondContact O-N 3.05Å; L338-V355 HydrophobicContact CD1-CG1 4Å
339	A	95.8	Very high	94.6	Very high	19 Å²	19	61.4 Å²	61.4	16%	0.157	31%	0.311	C	S	.	.	H	α-helix	trans	-58.8	-42.2	176.3	0	0	0	0	0	112	F328 E335 H337 L342 E343	F328-A339 HydrophobicContact CE1-CB 4.19Å; F328-A339 HydrophobicContact CZ-CB 3.7Å; E335-A339 VanDerWaalsContact O-CB 3.28Å; E335-A339 WeakPolarHBondContact O-CB 3.23Å; E335-A339 PolarHBondContact O-N 3.46Å; H337-A339 VanDerWaalsContact C-N 3.34Å; H337-A339 PolarHBondContact O-N 3.26Å; A339-L342 PolarHBondContact O-N 2.65Å; A339-E343 PolarHBondContact O-N 3.12Å
340	K	97	Very high	95	Very high	134 Å²	134	61.5 Å²	61.5	58%	0.583	31%	0.311	S	S	*	.	H	α-helix	trans	-64.6	-45.7	179.7	-173.2	-174.9	175.9	-167.6	0	112.1	D336 H337 L338 L342 E343	D336-K340 PolarHBondContact O-N 3.29Å; D336-K340 VanDerWaalsContact O-N 3.13Å; H337-K340 WeakPolarHBondContact O-CB 3.48Å; H337-K340 PolarHBondContact O-N 3.13Å; L338-K340 VanDerWaalsContact C-N 3.29Å; L338-K340 PolarHBondContact O-N 2.88Å; K340-L342 VanDerWaalsContact C-N 3.3Å; K340-L342 PolarHBondContact O-N 3.07Å; K340-E343 WeakPolarHBondContact O-CB 3.23Å; K340-E343 PolarHBondContact O-N 3.3Å
341	E	96.7	Very high	95.3	Very high	30 Å²	30	62.4 Å²	62.4	14%	0.14	32%	0.316	C	S	.	.	H	α-helix	trans	-65.6	-35.2	176.4	-59.4	-62.4	125.8	0	0	111.5	H337 L338 E343 D344 N354 V355 Y358	H337-E341 PolarHBondContact O-N 3.3Å; H337-E341 VanDerWaalsContact O-N 3.12Å; L338-E341 PolarHBondContact O-N 3.02Å; E341-E343 PolarHBondContact O-N 3.35Å; E341-D344 PolarHBondContact O-N 3.4Å; E341-D344 VanDerWaalsContact O-N 3.13Å; E341-N354 HydrophobicContact CG-CB 3.95Å; E341-N354 WeakPolarHBondContact OE2-CB 3.37Å; E341-N354 PolarHBondContact OE2-ND2 2.88Å; E341-V355 HydrophobicContact CB-CG2 3.99Å; E341-Y358 HydrophobicContact CG-CD2 3.89Å; E341-Y358 HydrophobicContact CG-CE2 3.79Å
342	L	97	Very high	95.7	Very high	21 Å²	21	58.3 Å²	58.3	11%	0.11	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-72.2	-7.9	177.5	-68.9	176.3	0	0	0	114.1	F328 L338 A339 K340 D344 L345 I367 A370	F328-L342 HydrophobicContact CD1-CD1 3.51Å; F328-L342 HydrophobicContact CE1-CD1 4.01Å; F328-L342 HydrophobicContact CG-CD1 4.28Å; L338-L342 HydrophobicContact CD1-CD1 4.36Å; L338-L342 HydrophobicContact CD1-CG 4.41Å; L338-L342 HydrophobicContact CG-CD1 4.05Å; L338-L342 HydrophobicContact CG-CG 4.5Å; L338-L342 WeakPolarHBondContact O-CB 3.5Å; L338-L342 VanDerWaalsContact O-CG 3.25Å; L338-L342 WeakPolarHBondContact O-CG 3.38Å; L338-L342 PolarHBondContact O-N 3.05Å; A339-L342 PolarHBondContact O-N 2.65Å; K340-L342 VanDerWaalsContact C-N 3.3Å; K340-L342 PolarHBondContact O-N 3.07Å; L342-D344 PolarHBondContact O-N 3.47Å; L342-L345 VanDerWaalsContact O-CB 3.29Å; L342-L345 WeakPolarHBondContact O-CB 3.32Å; L342-L345 PolarHBondContact O-N 2.98Å; L342-I367 HydrophobicContact CD2-CD1 3.77Å; L342-A370 HydrophobicContact CD1-CB 4.47Å; L342-A370 HydrophobicContact CD2-CB 4.17Å
343	E	97.4	Very high	96.2	Very high	150 Å²	150	58.8 Å²	58.8	70%	0.701	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-64.4	-23.3	166.9	-65.7	179.2	-178.3	0	0	111.7	A339 K340 E341 L345	A339-E343 PolarHBondContact O-N 3.12Å; K340-E343 WeakPolarHBondContact O-CB 3.23Å; K340-E343 PolarHBondContact O-N 3.3Å; E341-E343 PolarHBondContact O-N 3.35Å; E343-L345 VanDerWaalsContact C-N 3.3Å
344	D	97.9	Very high	96.5	Very high	47 Å²	47	54.5 Å²	54.5	25%	0.251	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-89.5	10.4	177.4	-65.2	-26.2	0	0	0	112.9	E341 L342 N346 K347 L350	E341-D344 PolarHBondContact O-N 3.4Å; E341-D344 VanDerWaalsContact O-N 3.13Å; L342-D344 PolarHBondContact O-N 3.47Å; D344-N346 PolarHBondContact O-N 3.43Å; D344-K347 HydrophobicContact CB-CB 4.39Å; D344-K347 HydrophobicContact CB-CD 4.21Å; D344-K347 WeakPolarHBondContact O-CB 3.27Å; D344-K347 PolarHBondContact O-N 2.63Å; D344-K347 VanDerWaalsContact OD1-CD 3.3Å; D344-K347 WeakPolarHBondContact OD1-CD 3.35Å; D344-K347 VanDerWaalsContact OD1-CE 3.28Å; D344-K347 WeakPolarHBondContact OD1-CE 3.38Å; D344-K347 IonicContact OD1-NZ 2.68Å; D344-K347 PolarHBondContact OD1-NZ 2.94Å; D344-L350 HydrophobicContact CB-CB 4.27Å
345	L	98.2	Very high	96.8	Very high	11 Å²	11	51.9 Å²	51.9	6%	0.058	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-39.1	-177.7	-175.7	67.5	0	0	0	113.3	L342 E343 I367 A370 I371 E374 Q416	L342-L345 VanDerWaalsContact O-CB 3.29Å; L342-L345 WeakPolarHBondContact O-CB 3.32Å; L342-L345 PolarHBondContact O-N 2.98Å; E343-L345 VanDerWaalsContact C-N 3.3Å; L345-I367 HydrophobicContact CD1-CD1 4.22Å; L345-A370 HydrophobicContact CD1-CB 4.08Å; L345-A370 HydrophobicContact CD2-CB 3.9Å; L345-I371 HydrophobicContact CD1-CG1 3.98Å; L345-E374 HydrophobicContact CD2-CB 3.9Å; L345-E374 HydrophobicContact CD2-CG 4.2Å; L345-Q416 PolarHBondContact O-NE2 3.26Å
346	N	98.1	Very high	97.1	Very high	76 Å²	76	48.7 Å²	48.7	41%	0.406	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	8.8	-177	-59.6	-18.3	0	0	0	112.9	D344 E374 H419	D344-N346 PolarHBondContact O-N 3.43Å; N346-E374 PolarHBondContact ND2-OE1 3.4Å; N346-H419 PolarHBondContact OD1-NE2 3.01Å
347	K	98.1	Very high	97.2	Very high	116 Å²	116	44.9 Å²	44.9	50%	0.504	24%	0.241	S	C	.	.	S	Bend	trans	-111.6	146.9	-177.6	-57.6	-177.3	-167.5	162	0	111.1	D344 G349 Q416	D344-K347 HydrophobicContact CB-CB 4.39Å; D344-K347 HydrophobicContact CB-CD 4.21Å; D344-K347 WeakPolarHBondContact O-CB 3.27Å; D344-K347 PolarHBondContact O-N 2.63Å; D344-K347 VanDerWaalsContact OD1-CD 3.3Å; D344-K347 WeakPolarHBondContact OD1-CD 3.35Å; D344-K347 VanDerWaalsContact OD1-CE 3.28Å; D344-K347 WeakPolarHBondContact OD1-CE 3.38Å; D344-K347 IonicContact OD1-NZ 2.68Å; D344-K347 PolarHBondContact OD1-NZ 2.94Å; K347-G349 VanDerWaalsContact C-N 3.26Å; K347-G349 PolarHBondContact O-N 2.85Å; K347-Q416 PolarHBondContact O-NE2 3.48Å
348	W	98	Very high	97.3	Very high	36 Å²	36	43.2 Å²	43.2	14%	0.136	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-29.9	-179.8	-164.2	-115.5	0	0	0	113.9	V420 L421 T569 K570 W627 I641	W348-V420 HydrophobicContact CE3-CB 3.99Å; W348-V420 HydrophobicContact CE3-CG1 3.83Å; W348-V420 HydrophobicContact CZ3-CB 4.3Å; W348-V420 HydrophobicContact CZ3-CG1 4.47Å; W348-L421 HydrophobicContact CH2-CD1 4.23Å; W348-L421 HydrophobicContact CH2-CD2 4.22Å; W348-L421 HydrophobicContact CH2-CG 4.12Å; W348-L421 HydrophobicContact CZ3-CD1 4.39Å; W348-L421 HydrophobicContact CZ3-CD2 4.02Å; W348-L421 HydrophobicContact CZ3-CG 3.82Å; W348-T569 WeakPolarHBondContact CZ2-OG1 3.5Å; W348-T569 PolarHBondContact NE1-O 2.99Å; W348-T569 PolarHBondContact NE1-OG1 3.06Å; W348-K570 WeakPolarHBondContact O-CD 3.2Å; W348-W627 AromaticContact CH2-CH2 3.43Å; W348-W627 HydrophobicContact CH2-CH2 3.43Å; W348-W627 VanDerWaalsContact CH2-CH2 3.43Å; W348-W627 AromaticContact CH2-CZ2 3.9Å; W348-W627 HydrophobicContact CH2-CZ2 3.9Å; W348-W627 AromaticContact CZ2-CH2 3.37Å; W348-W627 HydrophobicContact CZ2-CH2 3.37Å; W348-W627 AromaticContact CZ2-CZ2 3.63Å; W348-W627 HydrophobicContact CZ2-CZ2 3.63Å; W348-W627 HydrophobicContact CZ2-CZ3 4.38Å; W348-W627 HydrophobicContact CZ3-CH2 4.48Å; W348-I641 HydrophobicContact CD2-CD1 3.95Å; W348-I641 HydrophobicContact CD2-CG1 4.37Å; W348-I641 HydrophobicContact CE3-CD1 4.32Å; W348-I641 HydrophobicContact CG-CD1 4.33Å; W348-I641 HydrophobicContact CG-CG1 4.29Å; W348-I641 HydrophobicContact CZ2-CD1 4.19Å; W348-I641 HydrophobicContact CZ2-CG2 4.44Å
349	G	93	Very high	97.3	Very high	44 Å²	44	43.2 Å²	43.2	45%	0.454	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	21.5	-174.6	0	0	0	0	0	115.7	K347 N351	K347-G349 VanDerWaalsContact C-N 3.26Å; K347-G349 PolarHBondContact O-N 2.85Å; G349-N351 PolarHBondContact O-N 2.85Å
350	L	98	Very high	97.2	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.245	C	C	.	.			trans	-56.4	127.8	176.1	177.3	147.4	0	0	0	110	D344 I352 V355 I367 Q416	D344-L350 HydrophobicContact CB-CB 4.27Å; L350-I352 HydrophobicContact CD2-CB 4.05Å; L350-I352 HydrophobicContact CD2-CD1 3.86Å; L350-I352 PolarHBondContact O-N 3.36Å; L350-I352 VanDerWaalsContact O-N 3.08Å; L350-V355 HydrophobicContact CD2-CG2 4.07Å; L350-I367 HydrophobicContact CD1-CD1 4.16Å; L350-I367 HydrophobicContact CD2-CD1 4.24Å; L350-Q416 HydrophobicContact CD1-CG 4.21Å; L350-Q416 HydrophobicContact CD2-CG 4.39Å
351	N	98.2	Very high	97.2	Very high	22 Å²	22	46.6 Å²	46.6	12%	0.118	25%	0.25	C	C	.	.			trans	-81.7	92.4	177.8	-170.6	-30.9	0	0	0	110.5	G349 F353 N354 V355 L574	G349-N351 PolarHBondContact O-N 2.85Å; N351-F353 PolarHBondContact O-N 2.68Å; N351-F353 WeakPolarHBondContact OD1-CB 3.46Å; N351-F353 PolarHBondContact OD1-N 3.18Å; N351-F353 VanDerWaalsContact OD1-N 3.15Å; N351-N354 HydrophobicContact CB-CB 4.23Å; N351-N354 PolarHBondContact ND2-ND2 2.92Å; N351-N354 PolarHBondContact O-N 3.16Å; N351-N354 PolarHBondContact OD1-N 2.87Å; N351-N354 VanDerWaalsContact OD1-N 3.09Å; N351-V355 PolarHBondContact O-N 3.36Å; N351-L574 HydrophobicContact CB-CD2 4.18Å
352	I	98.3	Very high	97.2	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-66.9	-25.6	-176.8	-163.9	65.2	0	0	0	112.9	L350 V355 A356 P363 I367 L409 A412 D413 W578	L350-I352 HydrophobicContact CD2-CB 4.05Å; L350-I352 HydrophobicContact CD2-CD1 3.86Å; L350-I352 PolarHBondContact O-N 3.36Å; L350-I352 VanDerWaalsContact O-N 3.08Å; I352-V355 HydrophobicContact CD1-CB 4.39Å; I352-V355 PolarHBondContact O-N 3.46Å; I352-A356 PolarHBondContact O-N 3.34Å; I352-P363 HydrophobicContact CD1-CB 4.47Å; I352-I367 HydrophobicContact CD1-CD1 4.01Å; I352-I367 HydrophobicContact CD1-CG1 3.54Å; I352-L409 HydrophobicContact CG1-CD1 3.98Å; I352-L409 HydrophobicContact CG2-CD1 4.27Å; I352-A412 HydrophobicContact CD1-CB 3.81Å; I352-A412 HydrophobicContact CG1-CB 4.11Å; I352-D413 HydrophobicContact CG1-CB 4.36Å; I352-D413 HydrophobicContact CG2-CB 4.18Å; I352-W578 HydrophobicContact CG2-CZ2 3.8Å
353	F	98.4	Very high	97.3	Very high	23 Å²	23	47.6 Å²	47.6	10%	0.101	25%	0.251	C	S	.	.	H	α-helix	trans	-66.5	-41.7	175	-57.2	-80.4	0	0	0	111.3	N351 A356 G357 L409 L574 Q577 W578	N351-F353 PolarHBondContact O-N 2.68Å; N351-F353 WeakPolarHBondContact OD1-CB 3.46Å; N351-F353 PolarHBondContact OD1-N 3.18Å; N351-F353 VanDerWaalsContact OD1-N 3.15Å; F353-A356 WeakPolarHBondContact O-CB 3.14Å; F353-A356 PolarHBondContact O-N 3.27Å; F353-G357 PolarHBondContact O-N 2.95Å; F353-L409 HydrophobicContact CD1-CD2 3.51Å; F353-L409 HydrophobicContact CE1-CD2 3.45Å; F353-L409 VanDerWaalsContact CE1-CD2 3.45Å; F353-L409 HydrophobicContact CE1-CG 4.48Å; F353-L574 HydrophobicContact CD2-CD2 3.6Å; F353-L574 HydrophobicContact CE2-CB 4.45Å; F353-L574 HydrophobicContact CE2-CD2 3.83Å; F353-Q577 HydrophobicContact CE1-CB 4.08Å; F353-Q577 HydrophobicContact CE2-CB 3.78Å; F353-Q577 HydrophobicContact CE2-CG 4.47Å; F353-Q577 HydrophobicContact CZ-CB 3.55Å; F353-W578 HydrophobicContact CE1-CH2 4.47Å; F353-W578 HydrophobicContact CE1-CZ2 4.37Å; F353-W578 HydrophobicContact CE2-CZ2 4.46Å; F353-W578 AromaticContact CE2-NE1 3.95Å; F353-W578 AromaticContact CZ-CD2 3.8Å; F353-W578 HydrophobicContact CZ-CD2 3.8Å; F353-W578 AromaticContact CZ-CE2 3.57Å; F353-W578 HydrophobicContact CZ-CE3 4.3Å; F353-W578 HydrophobicContact CZ-CG 4.19Å; F353-W578 HydrophobicContact CZ-CH2 4.34Å; F353-W578 AromaticContact CZ-CZ2 3.87Å; F353-W578 HydrophobicContact CZ-CZ2 3.87Å; F353-W578 AromaticContact CZ-NE1 3.85Å
354	N	98	Very high	97.3	Very high	54 Å²	54	40.5 Å²	40.5	29%	0.289	22%	0.218	S	C	.	.	H	α-helix	trans	-63	-43.6	174	-71.7	-13	0	0	0	111.4	E341 N351 A356 G357 Y358	E341-N354 HydrophobicContact CG-CB 3.95Å; E341-N354 WeakPolarHBondContact OE2-CB 3.37Å; E341-N354 PolarHBondContact OE2-ND2 2.88Å; N351-N354 HydrophobicContact CB-CB 4.23Å; N351-N354 PolarHBondContact ND2-ND2 2.92Å; N351-N354 PolarHBondContact O-N 3.16Å; N351-N354 PolarHBondContact OD1-N 2.87Å; N351-N354 VanDerWaalsContact OD1-N 3.09Å; N354-A356 VanDerWaalsContact C-N 3.29Å; N354-A356 PolarHBondContact O-N 3.32Å; N354-G357 PolarHBondContact O-N 3.12Å; N354-G357 VanDerWaalsContact O-N 3.13Å; N354-Y358 HydrophobicContact CB-CD2 4.34Å; N354-Y358 HydrophobicContact CB-CE2 3.97Å; N354-Y358 WeakPolarHBondContact O-CD2 3.21Å; N354-Y358 PolarHBondContact O-N 2.96Å
355	V	98	Very high	97.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.5	-43.5	176	174.6	0	0	0	0	110.8	L338 E341 L350 N351 I352 Y358 S359 P363 C366 I367	L338-V355 HydrophobicContact CD1-CG1 4Å; E341-V355 HydrophobicContact CB-CG2 3.99Å; L350-V355 HydrophobicContact CD2-CG2 4.07Å; N351-V355 PolarHBondContact O-N 3.36Å; I352-V355 HydrophobicContact CD1-CB 4.39Å; I352-V355 PolarHBondContact O-N 3.46Å; V355-Y358 PolarHBondContact O-N 3.4Å; V355-S359 WeakPolarHBondContact O-CB 3.33Å; V355-S359 PolarHBondContact O-N 2.87Å; V355-S359 PolarHBondContact O-OG 3.46Å; V355-P363 HydrophobicContact CG1-CB 4.49Å; V355-C366 HydrophobicContact CG1-CB 4.4Å; V355-I367 HydrophobicContact CG1-CD1 4.1Å; V355-I367 HydrophobicContact CG1-CG1 4.11Å; V355-I367 HydrophobicContact CG2-CD1 4.43Å
356	A	97.6	Very high	97.3	Very high	9 Å²	9	37.7 Å²	37.7	7%	0.074	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-45.1	175.1	0	0	0	0	0	112.5	I352 F353 N354 Y358 S359 N361 P363 L409	I352-A356 PolarHBondContact O-N 3.34Å; F353-A356 WeakPolarHBondContact O-CB 3.14Å; F353-A356 PolarHBondContact O-N 3.27Å; N354-A356 VanDerWaalsContact C-N 3.29Å; N354-A356 PolarHBondContact O-N 3.32Å; A356-Y358 PolarHBondContact O-N 3.5Å; A356-S359 WeakPolarHBondContact CA-OG 3.37Å; A356-S359 PolarHBondContact O-N 2.8Å; A356-S359 PolarHBondContact O-OG 2.94Å; A356-N361 WeakPolarHBondContact O-CA 3.19Å; A356-N361 PolarHBondContact O-N 3.35Å; A356-P363 HydrophobicContact CB-CB 3.92Å; A356-P363 HydrophobicContact CB-CG 3.91Å; A356-L409 HydrophobicContact CB-CD1 3.6Å
357	G	96.8	Very high	97.4	Very high	50 Å²	50	34.1 Å²	34.1	52%	0.515	18%	0.184	S	C	.	.	H	α-helix	trans	-59.3	-42.2	176.9	0	0	0	0	0	113.3	F353 N354	F353-G357 PolarHBondContact O-N 2.95Å; N354-G357 PolarHBondContact O-N 3.12Å; N354-G357 VanDerWaalsContact O-N 3.13Å
358	Y	96.9	Very high	97.4	Very high	64 Å²	64	28.6 Å²	28.6	25%	0.251	16%	0.16	S	C	.	.	H	α-helix	trans	-84.7	-13.9	-178.8	-57.5	-48	0	0	0	114.4	T332 N334 H337 E341 N354 V355 A356	T332-Y358 VanDerWaalsContact CB-O 3.3Å; T332-Y358 WeakPolarHBondContact CB-O 3.49Å; T332-Y358 WeakPolarHBondContact CG2-O 3.37Å; T332-Y358 PolarHBondContact OG1-O 3.29Å; N334-Y358 HydrophobicContact CB-CD1 4.06Å; H337-Y358 HydrophobicContact CB-CD1 3.76Å; H337-Y358 HydrophobicContact CB-CD2 3.88Å; H337-Y358 HydrophobicContact CB-CE1 3.75Å; H337-Y358 HydrophobicContact CB-CE2 3.86Å; H337-Y358 HydrophobicContact CB-CG 3.84Å; E341-Y358 HydrophobicContact CG-CD2 3.89Å; E341-Y358 HydrophobicContact CG-CE2 3.79Å; N354-Y358 HydrophobicContact CB-CD2 4.34Å; N354-Y358 HydrophobicContact CB-CE2 3.97Å; N354-Y358 WeakPolarHBondContact O-CD2 3.21Å; N354-Y358 PolarHBondContact O-N 2.96Å; V355-Y358 PolarHBondContact O-N 3.4Å; A356-Y358 PolarHBondContact O-N 3.5Å
359	S	95.9	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	14.7	-179.4	61.8	0	0	0	0	114.3	V355 A356 R362	V355-S359 WeakPolarHBondContact O-CB 3.33Å; V355-S359 PolarHBondContact O-N 2.87Å; V355-S359 PolarHBondContact O-OG 3.46Å; A356-S359 WeakPolarHBondContact CA-OG 3.37Å; A356-S359 PolarHBondContact O-N 2.8Å; A356-S359 PolarHBondContact O-OG 2.94Å; S359-R362 WeakPolarHBondContact O-CB 3.39Å; S359-R362 PolarHBondContact O-N 2.94Å; S359-R362 VanDerWaalsContact OG-C 3.27Å; S359-R362 PolarHBondContact OG-N 3.46Å; S359-R362 PolarHBondContact OG-O 3.15Å
360	H	94.4	Very high	97.6	Very high	97 Å²	97	26 Å²	26	45%	0.449	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	46.2	-173.7	-71.4	-77.1	0	0	0	112.9	N331 E333 R362	N331-H360 PolarHBondContact O-CD2 3.37Å; N331-H360 VanDerWaalsContact O-CD2 3.3Å; E333-H360 IonicContact OE1-CE1 3.04Å; E333-H360 PolarHBondContact OE1-CE1 2.96Å; E333-H360 VanDerWaalsContact OE1-CE1 3.3Å; E333-H360 IonicContact OE1-NE2 3.37Å; E333-H360 PolarHBondContact OE1-NE2 3.49Å; E333-H360 IonicContact OE2-CD2 3.61Å; E333-H360 IonicContact OE2-CE1 3.86Å; E333-H360 PolarHBondContact OE2-CE1 2.83Å; E333-H360 IonicContact OE2-NE2 3.71Å; E333-H360 PolarHBondContact OE2-NE2 2.84Å; H360-R362 PolarHBondContact O-N 3.33Å
361	N	95.7	Very high	97.7	Very high	126 Å²	126	25.9 Å²	25.9	67%	0.674	14%	0.14	S	C	*	.	S	Bend	trans	56.3	37.3	-175.2	-65.6	-38.4	0	0	0	113.1	A356 P363	A356-N361 WeakPolarHBondContact O-CA 3.19Å; A356-N361 PolarHBondContact O-N 3.35Å; N361-P363 WeakPolarHBondContact O-CD 3.35Å
362	R	97.5	Very high	97.7	Very high	70 Å²	70	24.9 Å²	24.9	26%	0.264	13%	0.134	S	C	.	.			trans	-117.9	52.3	171.2	-63.9	-161.7	172.2	-84.2	0.3	113.4	V330 S359 H360 L364 C366 E396 D397	V330-R362 HydrophobicContact CG1-CB 3.8Å; S359-R362 WeakPolarHBondContact O-CB 3.39Å; S359-R362 PolarHBondContact O-N 2.94Å; S359-R362 VanDerWaalsContact OG-C 3.27Å; S359-R362 PolarHBondContact OG-N 3.46Å; S359-R362 PolarHBondContact OG-O 3.15Å; H360-R362 PolarHBondContact O-N 3.33Å; R362-L364 PolarHBondContact O-N 3.47Å; R362-C366 VanDerWaalsContact O-CB 3.3Å; R362-C366 WeakPolarHBondContact O-CB 3.49Å; R362-C366 PolarHBondContact O-N 2.95Å; R362-C366 VanDerWaalsContact O-N 3.1Å; R362-E396 WeakPolarHBondContact CA-OE1 3.35Å; R362-E396 WeakPolarHBondContact CA-OE2 3.49Å; R362-E396 VanDerWaalsContact CB-OE2 3.22Å; R362-E396 WeakPolarHBondContact CB-OE2 3.2Å; R362-E396 WeakPolarHBondContact CG-OE2 3.46Å; R362-E396 IonicContact NH1-OE2 3.34Å; R362-E396 PolarHBondContact NH1-OE2 2.84Å; R362-D397 IonicContact CZ-OD1 3.62Å; R362-D397 IonicContact NH1-OD1 3.14Å; R362-D397 PolarHBondContact NH1-OD1 3.23Å; R362-D397 IonicContact NH2-OD1 2.65Å; R362-D397 PolarHBondContact NH2-OD1 3.29Å
363	P	98.1	Very high	97.6	Very high	3 Å²	3	29 Å²	29	2%	0.019	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-38.9	-176.4	28	-35.2	0	0	0	112.5	I352 V355 A356 N361 C366 I367 E396 L409 A412	I352-P363 HydrophobicContact CD1-CB 4.47Å; V355-P363 HydrophobicContact CG1-CB 4.49Å; A356-P363 HydrophobicContact CB-CB 3.92Å; A356-P363 HydrophobicContact CB-CG 3.91Å; N361-P363 WeakPolarHBondContact O-CD 3.35Å; P363-C366 PolarHBondContact O-N 3.3Å; P363-I367 VanDerWaalsContact O-CB 3.3Å; P363-I367 WeakPolarHBondContact O-CB 3.46Å; P363-I367 WeakPolarHBondContact O-CG1 3.31Å; P363-I367 PolarHBondContact O-N 3.29Å; P363-E396 WeakPolarHBondContact CD-OE1 3.16Å; P363-L409 HydrophobicContact CB-CD1 4.02Å; P363-L409 HydrophobicContact CG-CB 4.41Å; P363-L409 HydrophobicContact CG-CD1 3.81Å; P363-A412 HydrophobicContact CB-CB 3.95Å; P363-A412 HydrophobicContact CG-CB 4.4Å
364	L	98.7	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.5	-46.1	-176.5	179.5	62.1	0	0	0	110.5	R362 C366 M368 M392 L395 E396 Y399 A411 A412 A444	R362-L364 PolarHBondContact O-N 3.47Å; L364-C366 VanDerWaalsContact C-N 3.33Å; L364-C366 PolarHBondContact O-N 3.47Å; L364-M368 HydrophobicContact CD1-CG 3.8Å; L364-M368 HydrophobicContact CG-CG 4.44Å; L364-M368 WeakPolarHBondContact O-CB 3.36Å; L364-M368 VanDerWaalsContact O-CG 3.23Å; L364-M368 WeakPolarHBondContact O-CG 3.06Å; L364-M368 PolarHBondContact O-N 3.46Å; L364-M392 HydrophobicContact CD1-CE 4.15Å; L364-M392 HydrophobicContact CD2-CE 4.12Å; L364-M392 HydrophobicContact CG-CE 3.65Å; L364-L395 HydrophobicContact CD2-CD2 4.13Å; L364-L395 HydrophobicContact CD2-CG 4.24Å; L364-E396 WeakPolarHBondContact CA-OE1 3.3Å; L364-E396 HydrophobicContact CB-CG 4.29Å; L364-E396 VanDerWaalsContact CB-OE1 3.31Å; L364-E396 WeakPolarHBondContact CB-OE1 3.36Å; L364-E396 HydrophobicContact CD2-CB 4.41Å; L364-E396 PolarHBondContact N-OE1 3.38Å; L364-Y399 HydrophobicContact CD2-CD2 4.06Å; L364-Y399 HydrophobicContact CD2-CE2 3.81Å; L364-A411 HydrophobicContact CD1-CB 4.09Å; L364-A411 HydrophobicContact CD2-CB 4.11Å; L364-A412 HydrophobicContact CB-CB 4.13Å; L364-A412 HydrophobicContact CD1-CB 4.32Å; L364-A444 HydrophobicContact CD1-CB 4.15Å
365	T	98.4	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-45.5	176.1	-61.4	0	0	0	0	111	V330 Y369 M392 M393 E396	V330-T365 HydrophobicContact CG1-CG2 3.9Å; T365-Y369 WeakPolarHBondContact O-CB 3.22Å; T365-Y369 PolarHBondContact O-N 3.1Å; T365-M392 HydrophobicContact CG2-CB 4.08Å; T365-M393 HydrophobicContact CG2-CG 4.16Å; T365-E396 WeakPolarHBondContact CB-OE2 3.42Å; T365-E396 PolarHBondContact N-OE1 2.98Å; T365-E396 PolarHBondContact OG1-OE2 2.99Å
366	C	98.1	Very high	97.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-53.4	-179.1	-177.9	0	0	0	0	112.5	V330 V355 R362 P363 L364 M368 Y369 A370	V330-C366 HydrophobicContact CG1-CB 4.15Å; V330-C366 HydrophobicContact CG2-CB 4.27Å; V355-C366 HydrophobicContact CG1-CB 4.4Å; R362-C366 VanDerWaalsContact O-CB 3.3Å; R362-C366 WeakPolarHBondContact O-CB 3.49Å; R362-C366 PolarHBondContact O-N 2.95Å; R362-C366 VanDerWaalsContact O-N 3.1Å; P363-C366 PolarHBondContact O-N 3.3Å; L364-C366 VanDerWaalsContact C-N 3.33Å; L364-C366 PolarHBondContact O-N 3.47Å; C366-M368 PolarHBondContact O-N 2.76Å; C366-Y369 PolarHBondContact O-N 3.47Å; C366-A370 WeakPolarHBondContact O-CB 3.46Å; C366-A370 PolarHBondContact O-N 2.79Å
367	I	98.6	Very high	97.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-44.6	-178.8	-73.6	-60.8	0	0	0	111.2	L342 L345 L350 I352 V355 P363 Y369 A370 I371 A412 Q416	L342-I367 HydrophobicContact CD2-CD1 3.77Å; L345-I367 HydrophobicContact CD1-CD1 4.22Å; L350-I367 HydrophobicContact CD1-CD1 4.16Å; L350-I367 HydrophobicContact CD2-CD1 4.24Å; I352-I367 HydrophobicContact CD1-CD1 4.01Å; I352-I367 HydrophobicContact CD1-CG1 3.54Å; V355-I367 HydrophobicContact CG1-CD1 4.1Å; V355-I367 HydrophobicContact CG1-CG1 4.11Å; V355-I367 HydrophobicContact CG2-CD1 4.43Å; P363-I367 VanDerWaalsContact O-CB 3.3Å; P363-I367 WeakPolarHBondContact O-CB 3.46Å; P363-I367 WeakPolarHBondContact O-CG1 3.31Å; P363-I367 PolarHBondContact O-N 3.29Å; I367-Y369 VanDerWaalsContact C-N 3.32Å; I367-Y369 PolarHBondContact O-N 3.49Å; I367-A370 PolarHBondContact O-N 3.41Å; I367-I371 HydrophobicContact CG2-CD1 3.5Å; I367-I371 VanDerWaalsContact CG2-CD1 3.5Å; I367-I371 HydrophobicContact CG2-CG1 4.2Å; I367-I371 WeakPolarHBondContact O-CB 3.48Å; I367-I371 VanDerWaalsContact O-CG1 3.28Å; I367-I371 WeakPolarHBondContact O-CG1 3.31Å; I367-I371 PolarHBondContact O-N 2.95Å; I367-A412 HydrophobicContact CG1-CB 4.46Å; I367-Q416 HydrophobicContact CG2-CB 3.92Å
368	M	98.7	Very high	97.6	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-64.1	-39.8	179.4	-75.6	-72.9	-72.2	0	0	111.7	L364 C366 F372 F388 M392 A415 I440 A444	L364-M368 HydrophobicContact CD1-CG 3.8Å; L364-M368 HydrophobicContact CG-CG 4.44Å; L364-M368 WeakPolarHBondContact O-CB 3.36Å; L364-M368 VanDerWaalsContact O-CG 3.23Å; L364-M368 WeakPolarHBondContact O-CG 3.06Å; L364-M368 PolarHBondContact O-N 3.46Å; C366-M368 PolarHBondContact O-N 2.76Å; M368-F372 HydrophobicContact CE-CD2 4.29Å; M368-F372 HydrophobicContact CE-CE2 3.51Å; M368-F372 HydrophobicContact CE-CZ 4.2Å; M368-F372 WeakPolarHBondContact O-CB 3.46Å; M368-F372 WeakPolarHBondContact O-CD2 3.46Å; M368-F372 PolarHBondContact O-N 3.41Å; M368-F372 HydrophobicContact SD-CE2 4.3Å; M368-F388 HydrophobicContact CB-CE1 4.39Å; M368-F388 HydrophobicContact CB-CZ 3.94Å; M368-M392 HydrophobicContact CB-CE 3.63Å; M368-M392 HydrophobicContact CB-CG 4.32Å; M368-M392 HydrophobicContact CB-SD 4.02Å; M368-M392 HydrophobicContact CE-CE 4.25Å; M368-M392 HydrophobicContact CE-SD 3.93Å; M368-M392 HydrophobicContact CG-CE 3.49Å; M368-M392 VanDerWaalsContact CG-CE 3.49Å; M368-M392 HydrophobicContact CG-SD 4.22Å; M368-A415 HydrophobicContact SD-CB 4Å; M368-I440 HydrophobicContact CE-CG2 3.94Å; M368-I440 HydrophobicContact SD-CG2 3.57Å; M368-I440 VanDerWaalsContact SD-CG2 3.57Å; M368-A444 HydrophobicContact CE-CB 3.5Å; M368-A444 HydrophobicContact CG-CB 4.27Å; M368-A444 HydrophobicContact SD-CB 3.76Å
369	Y	98.2	Very high	97.7	Very high	6 Å²	6	37.5 Å²	37.5	2%	0.024	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-43.7	174.2	-169.1	-99.9	0	0	0	111.8	G329 T365 C366 I367 F372 Q373 L378 F388 I389	G329-Y369 VanDerWaalsContact N-CD1 3.34Å; T365-Y369 WeakPolarHBondContact O-CB 3.22Å; T365-Y369 PolarHBondContact O-N 3.1Å; C366-Y369 PolarHBondContact O-N 3.47Å; I367-Y369 VanDerWaalsContact C-N 3.32Å; I367-Y369 PolarHBondContact O-N 3.49Å; Y369-F372 PolarHBondContact O-N 3.15Å; Y369-Q373 HydrophobicContact CD1-CG 4.17Å; Y369-Q373 HydrophobicContact CE1-CG 3.94Å; Y369-Q373 WeakPolarHBondContact O-CB 3.34Å; Y369-Q373 WeakPolarHBondContact O-CG 3.41Å; Y369-Q373 PolarHBondContact O-N 3.11Å; Y369-L378 HydrophobicContact CE2-CD1 4.14Å; Y369-F388 AromaticContact CD2-CD1 3.79Å; Y369-F388 HydrophobicContact CD2-CD1 3.79Å; Y369-F388 AromaticContact CD2-CE1 3.97Å; Y369-F388 HydrophobicContact CD2-CE1 3.97Å; Y369-F388 HydrophobicContact CG-CE1 4.5Å; Y369-I389 HydrophobicContact CD2-CD1 4.36Å; Y369-I389 HydrophobicContact CD2-CG1 4.05Å; Y369-I389 HydrophobicContact CE2-CD1 4.04Å; Y369-I389 HydrophobicContact CE2-CG1 4.16Å
370	A	98	Very high	97.8	Very high	18 Å²	18	40.5 Å²	40.5	15%	0.149	20%	0.195	C	C	.	.	H	α-helix	trans	-61.6	-48.1	176.6	0	0	0	0	0	112	L342 L345 C366 I367 F372 Q373 E374	L342-A370 HydrophobicContact CD1-CB 4.47Å; L342-A370 HydrophobicContact CD2-CB 4.17Å; L345-A370 HydrophobicContact CD1-CB 4.08Å; L345-A370 HydrophobicContact CD2-CB 3.9Å; C366-A370 WeakPolarHBondContact O-CB 3.46Å; C366-A370 PolarHBondContact O-N 2.79Å; I367-A370 PolarHBondContact O-N 3.41Å; A370-F372 PolarHBondContact O-N 3.28Å; A370-Q373 PolarHBondContact O-N 3.02Å; A370-E374 WeakPolarHBondContact O-CB 3.38Å; A370-E374 PolarHBondContact O-N 3.32Å
371	I	98.6	Very high	98	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.2	-45.5	177.1	-70.3	168.2	0	0	0	111.5	L345 I367 Q373 E374 R375 H419 I440	L345-I371 HydrophobicContact CD1-CG1 3.98Å; I367-I371 HydrophobicContact CG2-CD1 3.5Å; I367-I371 VanDerWaalsContact CG2-CD1 3.5Å; I367-I371 HydrophobicContact CG2-CG1 4.2Å; I367-I371 WeakPolarHBondContact O-CB 3.48Å; I367-I371 VanDerWaalsContact O-CG1 3.28Å; I367-I371 WeakPolarHBondContact O-CG1 3.31Å; I367-I371 PolarHBondContact O-N 2.95Å; I371-Q373 VanDerWaalsContact C-N 3.28Å; I371-Q373 PolarHBondContact O-N 2.74Å; I371-E374 PolarHBondContact O-N 2.9Å; I371-R375 WeakPolarHBondContact O-CB 3.11Å; I371-R375 PolarHBondContact O-N 3.03Å; I371-H419 HydrophobicContact CD1-CB 3.75Å; I371-H419 HydrophobicContact CG1-CB 4.02Å; I371-H419 HydrophobicContact CG2-CB 4.32Å; I371-H419 WeakPolarHBondContact CG2-ND1 3.28Å; I371-I440 HydrophobicContact CG2-CD1 3.69Å; I371-I440 HydrophobicContact CG2-CG1 4.37Å; I371-I440 HydrophobicContact CG2-CG2 3.95Å
372	F	98.2	Very high	98.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68.4	-28.9	-177.9	-90.4	-117.6	0	0	0	112.7	M368 Y369 A370 D376 L377 L378 I383 F388 L437 I440	M368-F372 HydrophobicContact CE-CD2 4.29Å; M368-F372 HydrophobicContact CE-CE2 3.51Å; M368-F372 HydrophobicContact CE-CZ 4.2Å; M368-F372 WeakPolarHBondContact O-CB 3.46Å; M368-F372 WeakPolarHBondContact O-CD2 3.46Å; M368-F372 PolarHBondContact O-N 3.41Å; M368-F372 HydrophobicContact SD-CE2 4.3Å; Y369-F372 PolarHBondContact O-N 3.15Å; A370-F372 PolarHBondContact O-N 3.28Å; F372-D376 CarbonylContact O-C 3.52Å; F372-D376 PolarHBondContact O-N 3.39Å; F372-L377 HydrophobicContact CB-CB 4.44Å; F372-L377 HydrophobicContact CD1-CB 3.69Å; F372-L377 HydrophobicContact CD1-CD1 4.26Å; F372-L377 HydrophobicContact CD2-CD1 4.16Å; F372-L377 HydrophobicContact CE1-CB 4.14Å; F372-L377 HydrophobicContact CE1-CD1 4.34Å; F372-L377 HydrophobicContact CE2-CD1 4.23Å; F372-L377 HydrophobicContact CG-CB 4.12Å; F372-L377 HydrophobicContact CG-CD1 4.18Å; F372-L377 HydrophobicContact CZ-CD1 4.34Å; F372-L377 PolarHBondContact O-N 3.08Å; F372-L378 HydrophobicContact CB-CD2 4.21Å; F372-L378 HydrophobicContact CB-CG 4.05Å; F372-L378 HydrophobicContact CD1-CD2 3.85Å; F372-L378 HydrophobicContact CD1-CG 4.39Å; F372-L378 HydrophobicContact CG-CD2 4.48Å; F372-I383 HydrophobicContact CE1-CD1 4.07Å; F372-F388 HydrophobicContact CB-CE2 4.31Å; F372-F388 HydrophobicContact CB-CZ 4.04Å; F372-F388 AromaticContact CD1-CD2 3.91Å; F372-F388 HydrophobicContact CD1-CD2 3.91Å; F372-F388 AromaticContact CD1-CE2 3.33Å; F372-F388 HydrophobicContact CD1-CE2 3.33Å; F372-F388 AromaticContact CD1-CZ 3.91Å; F372-F388 HydrophobicContact CD1-CZ 3.91Å; F372-F388 AromaticContact CD2-CE2 3.79Å; F372-F388 HydrophobicContact CD2-CE2 3.79Å; F372-F388 AromaticContact CD2-CZ 3.67Å; F372-F388 HydrophobicContact CD2-CZ 3.67Å; F372-F388 HydrophobicContact CE1-CD2 4.02Å; F372-F388 AromaticContact CE1-CE2 3.39Å; F372-F388 HydrophobicContact CE1-CE2 3.39Å; F372-F388 HydrophobicContact CE1-CZ 4.26Å; F372-F388 AromaticContact CE2-CE2 3.84Å; F372-F388 HydrophobicContact CE2-CE2 3.84Å; F372-F388 HydrophobicContact CE2-CZ 4.04Å; F372-F388 HydrophobicContact CG-CD2 4.42Å; F372-F388 AromaticContact CG-CE2 3.53Å; F372-F388 HydrophobicContact CG-CE2 3.53Å; F372-F388 AromaticContact CG-CZ 3.59Å; F372-F388 HydrophobicContact CG-CZ 3.59Å; F372-F388 AromaticContact CZ-CE2 3.64Å; F372-F388 HydrophobicContact CZ-CE2 3.64Å; F372-F388 HydrophobicContact CZ-CZ 4.31Å; F372-L437 HydrophobicContact CE1-CD1 3.61Å; F372-L437 HydrophobicContact CZ-CD1 3.5Å; F372-L437 VanDerWaalsContact CZ-CD1 3.5Å; F372-I440 HydrophobicContact CD2-CG2 4.49Å; F372-I440 HydrophobicContact CE2-CG2 3.85Å
373	Q	96.8	Very high	98.1	Very high	88 Å²	88	36.8 Å²	36.8	41%	0.411	17%	0.169	S	C	.	.	H	α-helix	trans	-75.6	-46.6	172.7	-69.5	-86.3	79	0	0	111.2	Y369 A370 I371 R375 D376 L378	Y369-Q373 HydrophobicContact CD1-CG 4.17Å; Y369-Q373 HydrophobicContact CE1-CG 3.94Å; Y369-Q373 WeakPolarHBondContact O-CB 3.34Å; Y369-Q373 WeakPolarHBondContact O-CG 3.41Å; Y369-Q373 PolarHBondContact O-N 3.11Å; A370-Q373 PolarHBondContact O-N 3.02Å; I371-Q373 VanDerWaalsContact C-N 3.28Å; I371-Q373 PolarHBondContact O-N 2.74Å; Q373-R375 VanDerWaalsContact C-N 3.32Å; Q373-R375 PolarHBondContact O-N 3.21Å; Q373-D376 PolarHBondContact O-N 3.35Å; Q373-D376 VanDerWaalsContact O-N 3.14Å; Q373-L378 HydrophobicContact CG-CD1 4.31Å
374	E	97.8	Very high	98	Very high	112 Å²	112	39.5 Å²	39.5	52%	0.523	19%	0.188	S	C	.	.	H	α-helix	trans	-58.9	-42.4	179.1	-178.7	65.2	-173.5	0	0	111.8	L345 N346 A370 I371	L345-E374 HydrophobicContact CD2-CB 3.9Å; L345-E374 HydrophobicContact CD2-CG 4.2Å; N346-E374 PolarHBondContact ND2-OE1 3.4Å; A370-E374 WeakPolarHBondContact O-CB 3.38Å; A370-E374 PolarHBondContact O-N 3.32Å; I371-E374 PolarHBondContact O-N 2.9Å
375	R	98	Very high	97.9	Very high	53 Å²	53	40.8 Å²	40.8	20%	0.2	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	5.5	178.8	-65.3	-173.6	173.1	-74.2	-3.9	114.3	I371 Q373 L377 H419 S423	I371-R375 WeakPolarHBondContact O-CB 3.11Å; I371-R375 PolarHBondContact O-N 3.03Å; Q373-R375 VanDerWaalsContact C-N 3.32Å; Q373-R375 PolarHBondContact O-N 3.21Å; R375-L377 HydrophobicContact CB-CD1 4.09Å; R375-L377 HydrophobicContact CB-CD2 4.38Å; R375-L377 HydrophobicContact CB-CG 3.78Å; R375-L377 PolarHBondContact O-N 3.37Å; R375-L377 VanDerWaalsContact O-N 3.09Å; R375-H419 PolarHBondContact NE-CE1 3.44Å; R375-H419 VanDerWaalsContact NE-CE1 3.32Å; R375-H419 PolarHBondContact NE-ND1 3.32Å; R375-H419 PolarHBondContact NH2-O 3.23Å; R375-S423 PolarHBondContact NH2-OG 3.45Å
376	D	97.9	Very high	97.7	Very high	60 Å²	60	45.8 Å²	45.8	32%	0.321	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	25.4	-177	-154.3	35.4	0	0	0	115.3	F372 Q373 L378 K379 T380	F372-D376 CarbonylContact O-C 3.52Å; F372-D376 PolarHBondContact O-N 3.39Å; Q373-D376 PolarHBondContact O-N 3.35Å; Q373-D376 VanDerWaalsContact O-N 3.14Å; D376-L378 VanDerWaalsContact C-N 3.33Å; D376-L378 PolarHBondContact O-N 2.94Å; D376-K379 PolarHBondContact O-N 3.14Å; D376-K379 WeakPolarHBondContact OD1-CB 3.42Å; D376-K379 VanDerWaalsContact OD1-CD 3.23Å; D376-K379 WeakPolarHBondContact OD1-CD 3.3Å; D376-K379 WeakPolarHBondContact OD1-CE 3.28Å; D376-K379 WeakPolarHBondContact OD1-CG 3.5Å; D376-K379 IonicContact OD1-NZ 2.67Å; D376-K379 PolarHBondContact OD1-NZ 3.18Å; D376-K379 IonicContact OD2-NZ 3.9Å; D376-T380 PolarHBondContact O-N 3Å; D376-T380 PolarHBondContact O-OG1 3.37Å; D376-T380 VanDerWaalsContact O-OG1 3.08Å
377	L	98.4	Very high	97.7	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-66.6	-33.1	-174.3	-63.6	174.3	0	0	0	112.4	F372 R375 K379 F381 I436 I440	F372-L377 HydrophobicContact CB-CB 4.44Å; F372-L377 HydrophobicContact CD1-CB 3.69Å; F372-L377 HydrophobicContact CD1-CD1 4.26Å; F372-L377 HydrophobicContact CD2-CD1 4.16Å; F372-L377 HydrophobicContact CE1-CB 4.14Å; F372-L377 HydrophobicContact CE1-CD1 4.34Å; F372-L377 HydrophobicContact CE2-CD1 4.23Å; F372-L377 HydrophobicContact CG-CB 4.12Å; F372-L377 HydrophobicContact CG-CD1 4.18Å; F372-L377 HydrophobicContact CZ-CD1 4.34Å; F372-L377 PolarHBondContact O-N 3.08Å; R375-L377 HydrophobicContact CB-CD1 4.09Å; R375-L377 HydrophobicContact CB-CD2 4.38Å; R375-L377 HydrophobicContact CB-CG 3.78Å; R375-L377 PolarHBondContact O-N 3.37Å; R375-L377 VanDerWaalsContact O-N 3.09Å; L377-K379 VanDerWaalsContact C-N 3.32Å; L377-K379 PolarHBondContact O-N 3.08Å; L377-F381 HydrophobicContact CB-CD2 4.37Å; L377-F381 HydrophobicContact CD2-CD2 4.23Å; L377-F381 HydrophobicContact CD2-CE2 3.82Å; L377-F381 WeakPolarHBondContact O-CB 3.12Å; L377-F381 WeakPolarHBondContact O-CD2 3.46Å; L377-F381 PolarHBondContact O-N 2.94Å; L377-I436 HydrophobicContact CD1-CG2 4.42Å; L377-I436 HydrophobicContact CD2-CG2 4.27Å; L377-I440 HydrophobicContact CD1-CD1 4.03Å
378	L	97.5	Very high	97.6	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-59.6	-43.2	175.6	-63.4	179.8	0	0	0	111.3	Y369 F372 Q373 D376 R382 I383 F388	Y369-L378 HydrophobicContact CE2-CD1 4.14Å; F372-L378 HydrophobicContact CB-CD2 4.21Å; F372-L378 HydrophobicContact CB-CG 4.05Å; F372-L378 HydrophobicContact CD1-CD2 3.85Å; F372-L378 HydrophobicContact CD1-CG 4.39Å; F372-L378 HydrophobicContact CG-CD2 4.48Å; Q373-L378 HydrophobicContact CG-CD1 4.31Å; D376-L378 VanDerWaalsContact C-N 3.33Å; D376-L378 PolarHBondContact O-N 2.94Å; L378-R382 CarbonylContact O-C 3.56Å; L378-R382 VanDerWaalsContact O-CA 3.31Å; L378-R382 WeakPolarHBondContact O-CA 3.49Å; L378-R382 PolarHBondContact O-N 3.4Å; L378-I383 HydrophobicContact CD2-CB 3.9Å; L378-I383 HydrophobicContact CD2-CG2 4.15Å; L378-I383 PolarHBondContact O-N 3.29Å; L378-F388 HydrophobicContact CD2-CB 3.94Å; L378-F388 HydrophobicContact CD2-CD1 4.43Å; L378-F388 HydrophobicContact CD2-CD2 3.83Å; L378-F388 HydrophobicContact CD2-CE2 4.45Å; L378-F388 HydrophobicContact CD2-CG 3.79Å
379	K	97.8	Very high	97.6	Very high	145 Å²	145	47 Å²	47	63%	0.63	23%	0.231	S	C	*	.	H	α-helix	trans	-74.4	-47.5	178.9	-61.6	-163.5	-159.7	97	0	111.3	D376 L377 F381 R382	D376-K379 PolarHBondContact O-N 3.14Å; D376-K379 WeakPolarHBondContact OD1-CB 3.42Å; D376-K379 VanDerWaalsContact OD1-CD 3.23Å; D376-K379 WeakPolarHBondContact OD1-CD 3.3Å; D376-K379 WeakPolarHBondContact OD1-CE 3.28Å; D376-K379 WeakPolarHBondContact OD1-CG 3.5Å; D376-K379 IonicContact OD1-NZ 2.67Å; D376-K379 PolarHBondContact OD1-NZ 3.18Å; D376-K379 IonicContact OD2-NZ 3.9Å; L377-K379 VanDerWaalsContact C-N 3.32Å; L377-K379 PolarHBondContact O-N 3.08Å; K379-F381 VanDerWaalsContact C-N 3.29Å; K379-F381 PolarHBondContact O-N 3.48Å; K379-R382 PolarHBondContact O-N 3.3Å
380	T	98.1	Very high	97.5	Very high	62 Å²	62	48.3 Å²	48.3	38%	0.38	24%	0.239	S	C	.	.	H	α-helix	trans	-55.2	-44	-179	-63.1	0	0	0	0	112	D376 D433	D376-T380 PolarHBondContact O-N 3Å; D376-T380 PolarHBondContact O-OG1 3.37Å; D376-T380 VanDerWaalsContact O-OG1 3.08Å; T380-D433 HydrophobicContact CG2-CB 4.03Å
381	F	98.3	Very high	97.5	Very high	13 Å²	13	47.4 Å²	47.4	6%	0.057	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	6	-178.7	-63.6	-63.2	0	0	0	114.8	L377 K379 I383 D433 L434 L437 L498	L377-F381 HydrophobicContact CB-CD2 4.37Å; L377-F381 HydrophobicContact CD2-CD2 4.23Å; L377-F381 HydrophobicContact CD2-CE2 3.82Å; L377-F381 WeakPolarHBondContact O-CB 3.12Å; L377-F381 WeakPolarHBondContact O-CD2 3.46Å; L377-F381 PolarHBondContact O-N 2.94Å; K379-F381 VanDerWaalsContact C-N 3.29Å; K379-F381 PolarHBondContact O-N 3.48Å; F381-I383 VanDerWaalsContact C-N 3.33Å; F381-I383 HydrophobicContact CB-CD1 3.96Å; F381-I383 HydrophobicContact CB-CG1 3.85Å; F381-I383 PolarHBondContact O-N 3.08Å; F381-D433 HydrophobicContact CE2-CB 3.95Å; F381-D433 WeakPolarHBondContact CE2-O 3.3Å; F381-D433 VanDerWaalsContact CZ-C 3.46Å; F381-D433 HydrophobicContact CZ-CB 3.64Å; F381-D433 WeakPolarHBondContact CZ-O 3.18Å; F381-L434 HydrophobicContact CE1-CD1 4.02Å; F381-L434 HydrophobicContact CZ-CB 4.35Å; F381-L434 HydrophobicContact CZ-CD1 4.31Å; F381-L437 HydrophobicContact CD1-CD2 4.3Å; F381-L437 HydrophobicContact CD2-CB 4.35Å; F381-L437 HydrophobicContact CD2-CD2 3.66Å; F381-L437 HydrophobicContact CD2-CG 4.41Å; F381-L437 HydrophobicContact CE1-CD2 4.35Å; F381-L437 HydrophobicContact CE2-CB 3.76Å; F381-L437 HydrophobicContact CE2-CD2 3.73Å; F381-L437 HydrophobicContact CE2-CG 4.27Å; F381-L437 HydrophobicContact CG-CD2 3.94Å; F381-L437 HydrophobicContact CZ-CB 4.26Å; F381-L437 HydrophobicContact CZ-CD2 4.08Å; F381-L498 HydrophobicContact CB-CD2 3.96Å; F381-L498 HydrophobicContact CD1-CD2 3.27Å; F381-L498 HydrophobicContact CE1-CD2 4.06Å; F381-L498 HydrophobicContact CG-CD2 3.94Å
382	R	98.1	Very high	97.5	Very high	191 Å²	191	47.4 Å²	47.4	72%	0.721	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	46.2	178	-54.1	177.6	178.6	-173.6	-1.7	112.3	L378 K379 N497	L378-R382 CarbonylContact O-C 3.56Å; L378-R382 VanDerWaalsContact O-CA 3.31Å; L378-R382 WeakPolarHBondContact O-CA 3.49Å; L378-R382 PolarHBondContact O-N 3.4Å; K379-R382 PolarHBondContact O-N 3.3Å; R382-N497 HydrophobicContact CB-CB 4.1Å; R382-N497 PolarHBondContact O-ND2 2.95Å
383	I	97.7	Very high	97.5	Very high	12 Å²	12	48.8 Å²	48.8	6%	0.062	24%	0.239	C	C	.	.			trans	-92.9	117.7	178.2	-45.3	179.2	0	0	0	107.4	F372 L378 F381 F388 I494	F372-I383 HydrophobicContact CE1-CD1 4.07Å; L378-I383 HydrophobicContact CD2-CB 3.9Å; L378-I383 HydrophobicContact CD2-CG2 4.15Å; L378-I383 PolarHBondContact O-N 3.29Å; F381-I383 VanDerWaalsContact C-N 3.33Å; F381-I383 HydrophobicContact CB-CD1 3.96Å; F381-I383 HydrophobicContact CB-CG1 3.85Å; F381-I383 PolarHBondContact O-N 3.08Å; I383-F388 HydrophobicContact CG2-CB 3.98Å; I383-F388 HydrophobicContact CG2-CD2 4.39Å; I383-I494 HydrophobicContact CD1-CB 4.43Å; I383-I494 WeakPolarHBondContact CD1-O 3.42Å; I383-I494 WeakPolarHBondContact CG1-O 3.1Å; I383-I494 HydrophobicContact CG2-CB 3.9Å; I383-I494 HydrophobicContact CG2-CG2 4.01Å
384	S	96.4	Very high	97.5	Very high	60 Å²	60	44.9 Å²	44.9	42%	0.42	22%	0.221	S	C	.	.			trans	-66.2	139	172.7	31.8	0	0	0	0	110.4	D386 T387 F388	S384-D386 PolarHBondContact O-N 3.34Å; S384-T387 PolarHBondContact O-N 2.81Å; S384-T387 VanDerWaalsContact O-N 3.1Å; S384-T387 PolarHBondContact OG-OG1 2.86Å; S384-F388 PolarHBondContact O-N 3.03Å
385	S	95.7	Very high	97.6	Very high	26 Å²	26	39.6 Å²	39.6	18%	0.182	20%	0.196	C	C	.	.	H	α-helix	trans	-54.8	-39.1	178.2	-56.3	0	0	0	0	112.1	T387 F388 I389	S385-T387 PolarHBondContact O-N 3.02Å; S385-F388 PolarHBondContact O-N 3.35Å; S385-I389 WeakPolarHBondContact O-CB 3.23Å; S385-I389 VanDerWaalsContact O-CG1 3.27Å; S385-I389 WeakPolarHBondContact O-CG1 3.41Å; S385-I389 PolarHBondContact O-N 2.98Å
386	D	95.4	Very high	97.6	Very high	105 Å²	105	37.3 Å²	37.3	56%	0.561	19%	0.188	S	C	*	.	H	α-helix	trans	-61	-46.8	177.4	-59.5	-23.1	0	0	0	112.1	S384 F388 T390	S384-D386 PolarHBondContact O-N 3.34Å; D386-F388 VanDerWaalsContact C-N 3.32Å; D386-F388 PolarHBondContact O-N 3.08Å; D386-T390 VanDerWaalsContact O-CB 3.28Å; D386-T390 WeakPolarHBondContact O-CB 3.42Å; D386-T390 PolarHBondContact O-N 3.21Å; D386-T390 PolarHBondContact O-OG1 2.91Å
387	T	96.8	Very high	97.6	Very high	18 Å²	18	36.7 Å²	36.7	11%	0.11	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-41.9	177.3	-54.6	0	0	0	0	111.1	S384 S385 Y391 H491 I494	S384-T387 PolarHBondContact O-N 2.81Å; S384-T387 VanDerWaalsContact O-N 3.1Å; S384-T387 PolarHBondContact OG-OG1 2.86Å; S385-T387 PolarHBondContact O-N 3.02Å; T387-Y391 WeakPolarHBondContact O-CB 3.42Å; T387-Y391 PolarHBondContact O-N 3.4Å; T387-H491 VanDerWaalsContact CA-O 3.31Å; T387-H491 WeakPolarHBondContact CA-O 3.49Å; T387-H491 VanDerWaalsContact CG2-O 3.27Å; T387-H491 WeakPolarHBondContact CG2-O 3.22Å; T387-I494 HydrophobicContact CG2-CG2 4.11Å
388	F	98	Very high	97.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-51.6	179.5	-176.8	-92.9	0	0	0	111.7	M368 Y369 F372 L378 I383 S384 S385 D386 T390 Y391 M392 I494	M368-F388 HydrophobicContact CB-CE1 4.39Å; M368-F388 HydrophobicContact CB-CZ 3.94Å; Y369-F388 AromaticContact CD2-CD1 3.79Å; Y369-F388 HydrophobicContact CD2-CD1 3.79Å; Y369-F388 AromaticContact CD2-CE1 3.97Å; Y369-F388 HydrophobicContact CD2-CE1 3.97Å; Y369-F388 HydrophobicContact CG-CE1 4.5Å; F372-F388 HydrophobicContact CB-CE2 4.31Å; F372-F388 HydrophobicContact CB-CZ 4.04Å; F372-F388 AromaticContact CD1-CD2 3.91Å; F372-F388 HydrophobicContact CD1-CD2 3.91Å; F372-F388 AromaticContact CD1-CE2 3.33Å; F372-F388 HydrophobicContact CD1-CE2 3.33Å; F372-F388 AromaticContact CD1-CZ 3.91Å; F372-F388 HydrophobicContact CD1-CZ 3.91Å; F372-F388 AromaticContact CD2-CE2 3.79Å; F372-F388 HydrophobicContact CD2-CE2 3.79Å; F372-F388 AromaticContact CD2-CZ 3.67Å; F372-F388 HydrophobicContact CD2-CZ 3.67Å; F372-F388 HydrophobicContact CE1-CD2 4.02Å; F372-F388 AromaticContact CE1-CE2 3.39Å; F372-F388 HydrophobicContact CE1-CE2 3.39Å; F372-F388 HydrophobicContact CE1-CZ 4.26Å; F372-F388 AromaticContact CE2-CE2 3.84Å; F372-F388 HydrophobicContact CE2-CE2 3.84Å; F372-F388 HydrophobicContact CE2-CZ 4.04Å; F372-F388 HydrophobicContact CG-CD2 4.42Å; F372-F388 AromaticContact CG-CE2 3.53Å; F372-F388 HydrophobicContact CG-CE2 3.53Å; F372-F388 AromaticContact CG-CZ 3.59Å; F372-F388 HydrophobicContact CG-CZ 3.59Å; F372-F388 AromaticContact CZ-CE2 3.64Å; F372-F388 HydrophobicContact CZ-CE2 3.64Å; F372-F388 HydrophobicContact CZ-CZ 4.31Å; L378-F388 HydrophobicContact CD2-CB 3.94Å; L378-F388 HydrophobicContact CD2-CD1 4.43Å; L378-F388 HydrophobicContact CD2-CD2 3.83Å; L378-F388 HydrophobicContact CD2-CE2 4.45Å; L378-F388 HydrophobicContact CD2-CG 3.79Å; I383-F388 HydrophobicContact CG2-CB 3.98Å; I383-F388 HydrophobicContact CG2-CD2 4.39Å; S384-F388 PolarHBondContact O-N 3.03Å; S385-F388 PolarHBondContact O-N 3.35Å; D386-F388 VanDerWaalsContact C-N 3.32Å; D386-F388 PolarHBondContact O-N 3.08Å; F388-T390 VanDerWaalsContact C-N 3.32Å; F388-T390 PolarHBondContact O-N 3.49Å; F388-Y391 PolarHBondContact O-N 3.2Å; F388-M392 HydrophobicContact CD1-CG 4Å; F388-M392 HydrophobicContact CE1-CG 3.6Å; F388-M392 HydrophobicContact CE2-CG 4.14Å; F388-M392 HydrophobicContact CE2-SD 4.43Å; F388-M392 HydrophobicContact CG-CG 4.46Å; F388-M392 HydrophobicContact CZ-CG 3.71Å; F388-M392 HydrophobicContact CZ-SD 4.22Å; F388-M392 WeakPolarHBondContact O-CB 3.39Å; F388-M392 WeakPolarHBondContact O-CG 3.41Å; F388-M392 PolarHBondContact O-N 3.26Å; F388-I494 HydrophobicContact CB-CG2 4.5Å; F388-I494 HydrophobicContact CD2-CG2 4.34Å
389	I	97.1	Very high	97.6	Very high	10 Å²	10	37.3 Å²	37.3	5%	0.051	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-41.8	179.3	-67.1	165.7	0	0	0	110.2	Y369 S385 Y391 M392 M393	Y369-I389 HydrophobicContact CD2-CD1 4.36Å; Y369-I389 HydrophobicContact CD2-CG1 4.05Å; Y369-I389 HydrophobicContact CE2-CD1 4.04Å; Y369-I389 HydrophobicContact CE2-CG1 4.16Å; S385-I389 WeakPolarHBondContact O-CB 3.23Å; S385-I389 VanDerWaalsContact O-CG1 3.27Å; S385-I389 WeakPolarHBondContact O-CG1 3.41Å; S385-I389 PolarHBondContact O-N 2.98Å; I389-Y391 PolarHBondContact O-N 2.94Å; I389-M392 PolarHBondContact O-N 3.32Å; I389-M393 HydrophobicContact CG2-CE 3.59Å; I389-M393 HydrophobicContact CG2-CG 4.12Å; I389-M393 HydrophobicContact CG2-SD 3.79Å; I389-M393 WeakPolarHBondContact O-CB 3.22Å; I389-M393 VanDerWaalsContact O-CG 3.31Å; I389-M393 WeakPolarHBondContact O-CG 3.41Å; I389-M393 PolarHBondContact O-N 3.48Å
390	T	97.2	Very high	97.7	Very high	32 Å²	32	33 Å²	33	20%	0.196	17%	0.169	C	C	.	.	H	α-helix	trans	-61.8	-44.7	178.2	-54	0	0	0	0	111.6	D386 F388 T394	D386-T390 VanDerWaalsContact O-CB 3.28Å; D386-T390 WeakPolarHBondContact O-CB 3.42Å; D386-T390 PolarHBondContact O-N 3.21Å; D386-T390 PolarHBondContact O-OG1 2.91Å; F388-T390 VanDerWaalsContact C-N 3.32Å; F388-T390 PolarHBondContact O-N 3.49Å; T390-T394 WeakPolarHBondContact O-CB 3.16Å; T390-T394 PolarHBondContact O-N 3.21Å; T390-T394 VanDerWaalsContact O-N 3.08Å; T390-T394 PolarHBondContact O-OG1 3.16Å
391	Y	98.4	Very high	97.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-48.4	174.6	177.2	-93.7	0	0	0	111.6	T387 F388 I389 T394 L395 F441 G483 L486 L487 C492 I494	T387-Y391 WeakPolarHBondContact O-CB 3.42Å; T387-Y391 PolarHBondContact O-N 3.4Å; F388-Y391 PolarHBondContact O-N 3.2Å; I389-Y391 PolarHBondContact O-N 2.94Å; Y391-T394 PolarHBondContact O-N 3.31Å; Y391-L395 HydrophobicContact CE1-CB 4.3Å; Y391-L395 HydrophobicContact CE1-CD2 3.96Å; Y391-L395 WeakPolarHBondContact O-CB 3.49Å; Y391-L395 PolarHBondContact O-N 3.04Å; Y391-F441 HydrophobicContact CE1-CD2 4.44Å; Y391-F441 AromaticContact CE1-CE2 3.59Å; Y391-F441 HydrophobicContact CE1-CE2 3.59Å; Y391-F441 HydrophobicContact CE1-CZ 4.42Å; Y391-F441 AromaticContact CZ-CE2 3.6Å; Y391-F441 AromaticContact CZ-CZ 3.98Å; Y391-F441 WeakPolarHBondContact OH-CE2 3.43Å; Y391-F441 WeakPolarHBondContact OH-CZ 3.39Å; Y391-G483 PolarHBondContact OH-O 2.67Å; Y391-G483 VanDerWaalsContact OH-O 3.08Å; Y391-L486 HydrophobicContact CD2-CB 4.48Å; Y391-L486 HydrophobicContact CE2-CB 3.88Å; Y391-L487 HydrophobicContact CD2-CD2 3.71Å; Y391-L487 HydrophobicContact CD2-CG 4.37Å; Y391-L487 HydrophobicContact CE2-CD2 3.42Å; Y391-L487 VanDerWaalsContact CE2-CD2 3.42Å; Y391-L487 HydrophobicContact CE2-CG 3.74Å; Y391-C492 HydrophobicContact CD2-CB 4.11Å; Y391-C492 VanDerWaalsContact CD2-O 3.3Å; Y391-C492 WeakPolarHBondContact CD2-O 3.48Å; Y391-I494 HydrophobicContact CD1-CD1 4.04Å; Y391-I494 HydrophobicContact CD1-CG2 4.35Å; Y391-I494 HydrophobicContact CE1-CD1 4.2Å; Y391-I494 HydrophobicContact CG-CG2 4.05Å
392	M	98.5	Very high	97.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-42	-177.2	-72	-50.9	-49.1	0	0	112.8	L364 T365 M368 F388 I389 T394 L395 E396	L364-M392 HydrophobicContact CD1-CE 4.15Å; L364-M392 HydrophobicContact CD2-CE 4.12Å; L364-M392 HydrophobicContact CG-CE 3.65Å; T365-M392 HydrophobicContact CG2-CB 4.08Å; M368-M392 HydrophobicContact CB-CE 3.63Å; M368-M392 HydrophobicContact CB-CG 4.32Å; M368-M392 HydrophobicContact CB-SD 4.02Å; M368-M392 HydrophobicContact CE-CE 4.25Å; M368-M392 HydrophobicContact CE-SD 3.93Å; M368-M392 HydrophobicContact CG-CE 3.49Å; M368-M392 VanDerWaalsContact CG-CE 3.49Å; M368-M392 HydrophobicContact CG-SD 4.22Å; F388-M392 HydrophobicContact CD1-CG 4Å; F388-M392 HydrophobicContact CE1-CG 3.6Å; F388-M392 HydrophobicContact CE2-CG 4.14Å; F388-M392 HydrophobicContact CE2-SD 4.43Å; F388-M392 HydrophobicContact CG-CG 4.46Å; F388-M392 HydrophobicContact CZ-CG 3.71Å; F388-M392 HydrophobicContact CZ-SD 4.22Å; F388-M392 WeakPolarHBondContact O-CB 3.39Å; F388-M392 WeakPolarHBondContact O-CG 3.41Å; F388-M392 PolarHBondContact O-N 3.26Å; I389-M392 PolarHBondContact O-N 3.32Å; M392-T394 VanDerWaalsContact C-N 3.32Å; M392-T394 PolarHBondContact O-N 2.93Å; M392-L395 HydrophobicContact CE-CD2 3.85Å; M392-L395 PolarHBondContact O-N 3.37Å; M392-L395 HydrophobicContact SD-CD2 4.21Å; M392-E396 VanDerWaalsContact O-CB 3.27Å; M392-E396 WeakPolarHBondContact O-CB 3.45Å; M392-E396 PolarHBondContact O-N 3.37Å
393	M	97.3	Very high	97.6	Very high	28 Å²	28	32 Å²	32	14%	0.138	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-41.5	173.4	-73.3	-178.6	171.8	0	0	111.2	L320 T365 I389 D397	L320-M393 HydrophobicContact CD1-SD 4.24Å; T365-M393 HydrophobicContact CG2-CG 4.16Å; I389-M393 HydrophobicContact CG2-CE 3.59Å; I389-M393 HydrophobicContact CG2-CG 4.12Å; I389-M393 HydrophobicContact CG2-SD 3.79Å; I389-M393 WeakPolarHBondContact O-CB 3.22Å; I389-M393 VanDerWaalsContact O-CG 3.31Å; I389-M393 WeakPolarHBondContact O-CG 3.41Å; I389-M393 PolarHBondContact O-N 3.48Å; M393-D397 WeakPolarHBondContact O-CB 3.49Å; M393-D397 PolarHBondContact O-N 3.3Å
394	T	97.8	Very high	97.6	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.043	19%	0.186	C	C	.	.	H	α-helix	trans	-66.4	-40.7	176.9	-56.2	0	0	0	0	111.6	H316 T390 Y391 M392 D397 H398 L486	H316-T394 PolarHBondContact NE2-OG1 3.13Å; T390-T394 WeakPolarHBondContact O-CB 3.16Å; T390-T394 PolarHBondContact O-N 3.21Å; T390-T394 VanDerWaalsContact O-N 3.08Å; T390-T394 PolarHBondContact O-OG1 3.16Å; Y391-T394 PolarHBondContact O-N 3.31Å; M392-T394 VanDerWaalsContact C-N 3.32Å; M392-T394 PolarHBondContact O-N 2.93Å; T394-D397 PolarHBondContact O-N 3.27Å; T394-H398 PolarHBondContact O-N 3.29Å; T394-H398 PolarHBondContact O-ND1 3.21Å; T394-L486 HydrophobicContact CG2-CD1 4.44Å; T394-L486 HydrophobicContact CG2-CD2 4.05Å
395	L	98.5	Very high	97.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-49	176.3	176.5	66.4	0	0	0	111.3	L364 Y391 M392 D397 H398 Y399 A444 I445 V448 L486	L364-L395 HydrophobicContact CD2-CD2 4.13Å; L364-L395 HydrophobicContact CD2-CG 4.24Å; Y391-L395 HydrophobicContact CE1-CB 4.3Å; Y391-L395 HydrophobicContact CE1-CD2 3.96Å; Y391-L395 WeakPolarHBondContact O-CB 3.49Å; Y391-L395 PolarHBondContact O-N 3.04Å; M392-L395 HydrophobicContact CE-CD2 3.85Å; M392-L395 PolarHBondContact O-N 3.37Å; M392-L395 HydrophobicContact SD-CD2 4.21Å; L395-D397 VanDerWaalsContact C-N 3.3Å; L395-D397 PolarHBondContact O-N 3.22Å; L395-H398 WeakPolarHBondContact O-CB 3.36Å; L395-H398 PolarHBondContact O-N 3.31Å; L395-Y399 HydrophobicContact CD1-CE2 4.44Å; L395-Y399 HydrophobicContact CG-CE2 4.38Å; L395-Y399 PolarHBondContact O-N 3.08Å; L395-A444 HydrophobicContact CD2-CB 4.33Å; L395-I445 HydrophobicContact CD1-CB 4.44Å; L395-I445 HydrophobicContact CD1-CG2 3.85Å; L395-I445 HydrophobicContact CD2-CG2 3.81Å; L395-V448 HydrophobicContact CD1-CB 3.9Å; L395-V448 HydrophobicContact CD1-CG1 4.35Å; L395-V448 HydrophobicContact CD1-CG2 3.59Å; L395-L486 HydrophobicContact CB-CD1 4.33Å; L395-L486 HydrophobicContact CD1-CD1 4.03Å
396	E	98.5	Very high	97.9	Very high	6 Å²	6	30 Å²	30	3%	0.028	17%	0.167	C	C	.	.	H	α-helix	trans	-61.7	-37.7	178.8	-173.2	166.1	-124.7	0	0	112	R362 P363 L364 T365 M392 H398 Y399	R362-E396 WeakPolarHBondContact CA-OE1 3.35Å; R362-E396 WeakPolarHBondContact CA-OE2 3.49Å; R362-E396 VanDerWaalsContact CB-OE2 3.22Å; R362-E396 WeakPolarHBondContact CB-OE2 3.2Å; R362-E396 WeakPolarHBondContact CG-OE2 3.46Å; R362-E396 IonicContact NH1-OE2 3.34Å; R362-E396 PolarHBondContact NH1-OE2 2.84Å; P363-E396 WeakPolarHBondContact CD-OE1 3.16Å; L364-E396 WeakPolarHBondContact CA-OE1 3.3Å; L364-E396 HydrophobicContact CB-CG 4.29Å; L364-E396 VanDerWaalsContact CB-OE1 3.31Å; L364-E396 WeakPolarHBondContact CB-OE1 3.36Å; L364-E396 HydrophobicContact CD2-CB 4.41Å; L364-E396 PolarHBondContact N-OE1 3.38Å; T365-E396 WeakPolarHBondContact CB-OE2 3.42Å; T365-E396 PolarHBondContact N-OE1 2.98Å; T365-E396 PolarHBondContact OG1-OE2 2.99Å; M392-E396 VanDerWaalsContact O-CB 3.27Å; M392-E396 WeakPolarHBondContact O-CB 3.45Å; M392-E396 PolarHBondContact O-N 3.37Å; E396-H398 PolarHBondContact O-N 3.02Å; E396-Y399 WeakPolarHBondContact O-CB 3.32Å; E396-Y399 PolarHBondContact O-N 2.87Å; E396-Y399 VanDerWaalsContact O-N 3.1Å
397	D	97.9	Very high	98	Very high	47 Å²	47	25.7 Å²	25.7	25%	0.251	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-14.4	174.9	-71	2.6	0	0	0	113.5	L314 H316 R362 M393 T394 L395	L314-D397 HydrophobicContact CD1-CB 4.39Å; L314-D397 HydrophobicContact CD2-CB 3.98Å; H316-D397 IonicContact CE1-OD2 3.57Å; H316-D397 PolarHBondContact CE1-OD2 3.09Å; H316-D397 IonicContact ND1-OD2 3.43Å; R362-D397 IonicContact CZ-OD1 3.62Å; R362-D397 IonicContact NH1-OD1 3.14Å; R362-D397 PolarHBondContact NH1-OD1 3.23Å; R362-D397 IonicContact NH2-OD1 2.65Å; R362-D397 PolarHBondContact NH2-OD1 3.29Å; M393-D397 WeakPolarHBondContact O-CB 3.49Å; M393-D397 PolarHBondContact O-N 3.3Å; T394-D397 PolarHBondContact O-N 3.27Å; L395-D397 VanDerWaalsContact C-N 3.3Å; L395-D397 PolarHBondContact O-N 3.22Å
398	H	98.3	Very high	98.1	Very high	10 Å²	10	25.9 Å²	25.9	5%	0.046	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-4.8	172.1	-74.7	72.5	0	0	0	113	T394 L395 E396 H400 V448 D449 L486	T394-H398 PolarHBondContact O-N 3.29Å; T394-H398 PolarHBondContact O-ND1 3.21Å; L395-H398 WeakPolarHBondContact O-CB 3.36Å; L395-H398 PolarHBondContact O-N 3.31Å; E396-H398 PolarHBondContact O-N 3.02Å; H398-H400 PolarHBondContact O-CD2 3.3Å; H398-V448 HydrophobicContact CB-CG2 3.62Å; H398-D449 VanDerWaalsContact O-CA 3.28Å; H398-D449 WeakPolarHBondContact O-CA 3.41Å; H398-D449 PolarHBondContact O-N 3.15Å; H398-D449 VanDerWaalsContact O-N 3.08Å; H398-L486 HydrophobicContact CB-CD1 4.34Å; H398-L486 VanDerWaalsContact CE1-CD2 3.49Å; H398-L486 WeakPolarHBondContact CE1-CD2 3.38Å
399	Y	98.6	Very high	98.2	Very high	11 Å²	11	26.4 Å²	26.4	4%	0.043	15%	0.149	C	C	.	.	S	Bend	trans	-81.8	134.5	163.2	-81.2	-85.5	0	0	0	109.8	L364 L395 E396 S401 A411 A444 D447 V448	L364-Y399 HydrophobicContact CD2-CD2 4.06Å; L364-Y399 HydrophobicContact CD2-CE2 3.81Å; L395-Y399 HydrophobicContact CD1-CE2 4.44Å; L395-Y399 HydrophobicContact CG-CE2 4.38Å; L395-Y399 PolarHBondContact O-N 3.08Å; E396-Y399 WeakPolarHBondContact O-CB 3.32Å; E396-Y399 PolarHBondContact O-N 2.87Å; E396-Y399 VanDerWaalsContact O-N 3.1Å; Y399-S401 PolarHBondContact O-N 3.05Å; Y399-A411 HydrophobicContact CE1-CB 3.82Å; Y399-A411 HydrophobicContact CE2-CB 3.86Å; Y399-A411 VanDerWaalsContact OH-CB 3.31Å; Y399-A411 WeakPolarHBondContact OH-CB 3.2Å; Y399-A444 PolarHBondContact OH-O 3.35Å; Y399-A444 VanDerWaalsContact OH-O 3.11Å; Y399-D447 HydrophobicContact CE1-CB 3.75Å; Y399-D447 WeakPolarHBondContact CE1-O 3.31Å; Y399-D447 PolarHBondContact OH-N 2.76Å; Y399-V448 HydrophobicContact CD2-CB 4.43Å; Y399-V448 HydrophobicContact CD2-CG2 4.29Å; Y399-V448 HydrophobicContact CE2-CB 3.86Å; Y399-V448 HydrophobicContact CE2-CG2 4.16Å; Y399-V448 PolarHBondContact OH-N 3.06Å
400	H	98.2	Very high	98.3	Very high	54 Å²	54	26 Å²	26	25%	0.25	15%	0.147	C	C	.	.			trans	-81.6	118.2	-171.9	-67.1	-175.5	0	0	0	110.2	H398 D402 V403 N407 D449	H398-H400 PolarHBondContact O-CD2 3.3Å; H400-D402 PolarHBondContact O-N 2.85Å; H400-V403 HydrophobicContact CB-CB 4.15Å; H400-V403 HydrophobicContact CB-CG2 3.62Å; H400-V403 PolarHBondContact O-N 2.75Å; H400-N407 WeakPolarHBondContact O-CB 3.34Å; H400-D449 IonicContact CD2-OD1 2.77Å; H400-D449 IonicContact CE1-OD1 3.37Å; H400-D449 PolarHBondContact CE1-OD1 3.03Å; H400-D449 IonicContact NE2-OD1 3.86Å; H400-D449 PolarHBondContact NE2-OD1 2.87Å
401	S	97	Very high	98.3	Very high	122 Å²	122	24.4 Å²	24.4	85%	0.853	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.3	180	57.1	0	0	0	0	113.8	Y399	Y399-S401 PolarHBondContact O-N 3.05Å
402	D	97.7	Very high	98.3	Very high	119 Å²	119	24.4 Å²	24.4	64%	0.636	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-5	176.5	56.8	-49.9	0	0	0	113.6	H400	H400-D402 PolarHBondContact O-N 2.85Å
403	V	98.5	Very high	98.4	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.03	14%	0.138	C	C	.	.			trans	-92.2	125.7	173.9	174.5	0	0	0	0	109.2	H400 H406 N407 E585	H400-V403 HydrophobicContact CB-CB 4.15Å; H400-V403 HydrophobicContact CB-CG2 3.62Å; H400-V403 PolarHBondContact O-N 2.75Å; V403-H406 HydrophobicContact CG1-CB 4.16Å; V403-N407 PolarHBondContact O-ND2 3.39Å; V403-E585 HydrophobicContact CG1-CG 4.36Å; V403-E585 WeakPolarHBondContact CG1-OE2 3.47Å
404	A	98.5	Very high	98.4	Very high	8 Å²	8	23.2 Å²	23.2	7%	0.066	13%	0.131	C	C	.	.	S	Bend	trans	-72.7	-37.9	-166.8	0	0	0	0	0	114.2	N407 R581 E584 E585	A404-N407 PolarHBondContact O-ND2 3.15Å; A404-N407 VanDerWaalsContact O-ND2 3.08Å; A404-R581 WeakPolarHBondContact CB-O 3.41Å; A404-R581 WeakPolarHBondContact O-CG 3.26Å; A404-R581 PolarHBondContact O-NH1 3.35Å; A404-R581 VanDerWaalsContact O-NH1 3.1Å; A404-E584 HydrophobicContact CB-CB 3.94Å; A404-E584 HydrophobicContact CB-CG 3.88Å; A404-E585 HydrophobicContact CB-CB 4.24Å
405	Y	98.7	Very high	98.5	Very high	15 Å²	15	22.9 Å²	22.9	6%	0.059	13%	0.129	C	C	.	.	S	Bend	trans	-110.1	-60.6	-177.9	179.8	-84.9	0	0	0	112.6	N407 H410 N567 W578 R581 I582 E585	Y405-N407 PolarHBondContact O-N 3.05Å; Y405-H410 AromaticContact CE1-CD2 3.73Å; Y405-H410 AromaticContact CE1-CE1 3.68Å; Y405-H410 AromaticContact CE1-CG 3.8Å; Y405-H410 AromaticContact CE1-ND1 3.76Å; Y405-H410 AromaticContact CE1-NE2 3.64Å; Y405-H410 AromaticContact CZ-CE1 3.64Å; Y405-H410 AromaticContact CZ-ND1 3.61Å; Y405-H410 WeakPolarHBondContact O-CB 3.24Å; Y405-H410 PolarHBondContact OH-CE1 3.41Å; Y405-H410 PolarHBondContact OH-ND1 3.18Å; Y405-N567 VanDerWaalsContact CE2-ND2 3.3Å; Y405-N567 WeakPolarHBondContact CE2-ND2 3.41Å; Y405-N567 PolarHBondContact OH-ND2 2.89Å; Y405-W578 AromaticContact CD2-CE3 3.72Å; Y405-W578 HydrophobicContact CD2-CE3 3.72Å; Y405-W578 HydrophobicContact CD2-CZ3 4.22Å; Y405-W578 HydrophobicContact CE2-CB 4.45Å; Y405-W578 HydrophobicContact CE2-CD2 4.35Å; Y405-W578 AromaticContact CE2-CE3 3.63Å; Y405-W578 HydrophobicContact CE2-CE3 3.63Å; Y405-W578 HydrophobicContact CE2-CZ3 4.27Å; Y405-R581 HydrophobicContact CD2-CB 4.25Å; Y405-I582 HydrophobicContact CD1-CD1 3.72Å; Y405-I582 HydrophobicContact CD2-CB 3.68Å; Y405-I582 HydrophobicContact CD2-CD1 4.12Å; Y405-I582 HydrophobicContact CD2-CG1 4.4Å; Y405-I582 HydrophobicContact CE1-CD1 4.22Å; Y405-I582 HydrophobicContact CE2-CB 4.19Å; Y405-I582 HydrophobicContact CG-CB 4.02Å; Y405-I582 HydrophobicContact CG-CD1 3.66Å; Y405-I582 HydrophobicContact CG-CG1 4.41Å; Y405-E585 WeakPolarHBondContact CA-OE2 3.45Å; Y405-E585 WeakPolarHBondContact CB-OE2 3.49Å; Y405-E585 PolarHBondContact N-OE2 3.49Å
406	H	98.8	Very high	98.5	Very high	33 Å²	33	22.9 Å²	22.9	15%	0.153	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	62.2	-174.2	-58.2	94.7	0	0	0	112.1	V403 D447 H450 E585	V403-H406 HydrophobicContact CG1-CB 4.16Å; H406-D447 IonicContact CD2-OD2 3.05Å; H406-D447 PolarHBondContact CD2-OD2 3.45Å; H406-H450 HydrophobicContact CB-CB 3.88Å; H406-H450 WeakPolarHBondContact CB-ND1 3.27Å; H406-H450 AromaticContact CG-CE1 3.67Å; H406-H450 AromaticContact CG-CG 4Å; H406-H450 AromaticContact CG-ND1 3.67Å; H406-H450 AromaticContact ND1-CE1 3.46Å; H406-H450 PolarHBondContact ND1-CE1 3.12Å; H406-H450 AromaticContact ND1-ND1 3.8Å; H406-E585 IonicContact CE1-OE1 2.81Å; H406-E585 PolarHBondContact CE1-OE1 3.48Å; H406-E585 IonicContact CG-OE1 3.3Å; H406-E585 PolarHBondContact N-OE2 3.03Å; H406-E585 VanDerWaalsContact ND1-CD 3.32Å; H406-E585 IonicContact ND1-OE1 2.65Å; H406-E585 PolarHBondContact ND1-OE1 3.4Å; H406-E585 IonicContact ND1-OE2 3.32Å; H406-E585 PolarHBondContact ND1-OE2 2.66Å
407	N	98.6	Very high	98.5	Very high	15 Å²	15	22.6 Å²	22.6	8%	0.08	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-174.3	179	62.2	48.9	0	0	0	110.8	H400 V403 A404 Y405 L409 H410 A411	H400-N407 WeakPolarHBondContact O-CB 3.34Å; V403-N407 PolarHBondContact O-ND2 3.39Å; A404-N407 PolarHBondContact O-ND2 3.15Å; A404-N407 VanDerWaalsContact O-ND2 3.08Å; Y405-N407 PolarHBondContact O-N 3.05Å; N407-L409 PolarHBondContact O-N 2.96Å; N407-L409 VanDerWaalsContact O-N 3.16Å; N407-L409 WeakPolarHBondContact OD1-CB 3.49Å; N407-L409 PolarHBondContact OD1-N 3.16Å; N407-H410 PolarHBondContact O-N 2.91Å; N407-H410 VanDerWaalsContact O-N 3.15Å; N407-A411 PolarHBondContact O-N 3.2Å
408	S	98.7	Very high	98.6	Very high	21 Å²	21	20.3 Å²	20.3	15%	0.147	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-22.9	-176	55.8	0	0	0	0	114	A412	S408-A412 WeakPolarHBondContact O-CB 3.36Å; S408-A412 PolarHBondContact O-N 3.37Å
409	L	98.8	Very high	98.6	Very high	12 Å²	12	20 Å²	20	6%	0.063	11%	0.114	C	C	.	.	H	α-helix	trans	-67.4	-44.8	175.5	-172	67.4	0	0	0	111.1	I352 F353 A356 P363 N407 A412 D413 W578	I352-L409 HydrophobicContact CG1-CD1 3.98Å; I352-L409 HydrophobicContact CG2-CD1 4.27Å; F353-L409 HydrophobicContact CD1-CD2 3.51Å; F353-L409 HydrophobicContact CE1-CD2 3.45Å; F353-L409 VanDerWaalsContact CE1-CD2 3.45Å; F353-L409 HydrophobicContact CE1-CG 4.48Å; A356-L409 HydrophobicContact CB-CD1 3.6Å; P363-L409 HydrophobicContact CB-CD1 4.02Å; P363-L409 HydrophobicContact CG-CB 4.41Å; P363-L409 HydrophobicContact CG-CD1 3.81Å; N407-L409 PolarHBondContact O-N 2.96Å; N407-L409 VanDerWaalsContact O-N 3.16Å; N407-L409 WeakPolarHBondContact OD1-CB 3.49Å; N407-L409 PolarHBondContact OD1-N 3.16Å; L409-A412 WeakPolarHBondContact O-CB 3.47Å; L409-A412 PolarHBondContact O-N 2.78Å; L409-D413 PolarHBondContact O-N 3.43Å; L409-W578 HydrophobicContact CB-CH2 4.28Å; L409-W578 HydrophobicContact CD2-CH2 4.06Å; L409-W578 HydrophobicContact CG-CH2 3.79Å; L409-W578 HydrophobicContact CG-CZ2 4.41Å
410	H	98.8	Very high	98.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.7	-45.5	176.3	174.5	55.3	0	0	0	110.6	Y405 N407 A412 D413 V414 H446 D447 D564 W578	Y405-H410 AromaticContact CE1-CD2 3.73Å; Y405-H410 AromaticContact CE1-CE1 3.68Å; Y405-H410 AromaticContact CE1-CG 3.8Å; Y405-H410 AromaticContact CE1-ND1 3.76Å; Y405-H410 AromaticContact CE1-NE2 3.64Å; Y405-H410 AromaticContact CZ-CE1 3.64Å; Y405-H410 AromaticContact CZ-ND1 3.61Å; Y405-H410 WeakPolarHBondContact O-CB 3.24Å; Y405-H410 PolarHBondContact OH-CE1 3.41Å; Y405-H410 PolarHBondContact OH-ND1 3.18Å; N407-H410 PolarHBondContact O-N 2.91Å; N407-H410 VanDerWaalsContact O-N 3.15Å; H410-A412 PolarHBondContact O-N 3.45Å; H410-D413 WeakPolarHBondContact O-CB 3.5Å; H410-D413 PolarHBondContact O-N 3.3Å; H410-V414 WeakPolarHBondContact CE1-CG2 3.38Å; H410-V414 WeakPolarHBondContact O-CG2 3.49Å; H410-V414 PolarHBondContact O-N 2.91Å; H410-H446 AromaticContact CD2-NE2 3.92Å; H410-H446 AromaticContact NE2-CE1 3.92Å; H410-H446 AromaticContact NE2-NE2 3.44Å; H410-H446 PolarHBondContact NE2-NE2 3.47Å; H410-D447 IonicContact CD2-OD2 3.63Å; H410-D447 PolarHBondContact CD2-OD2 2.83Å; H410-D447 VanDerWaalsContact CD2-OD2 3.23Å; H410-D447 IonicContact NE2-OD2 2.74Å; H410-D447 PolarHBondContact NE2-OD2 3.42Å; H410-D564 IonicContact CE1-OD1 3.16Å; H410-D564 PolarHBondContact CE1-OD1 2.91Å; H410-D564 IonicContact NE2-OD1 3.98Å; H410-D564 PolarHBondContact NE2-OD1 3.4Å; H410-W578 HydrophobicContact CB-CH2 3.98Å; H410-W578 HydrophobicContact CB-CZ3 3.96Å
411	A	98.8	Very high	98.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-56.6	-38.6	174.3	0	0	0	0	0	113	L364 Y399 N407 A415	L364-A411 HydrophobicContact CD1-CB 4.09Å; L364-A411 HydrophobicContact CD2-CB 4.11Å; Y399-A411 HydrophobicContact CE1-CB 3.82Å; Y399-A411 HydrophobicContact CE2-CB 3.86Å; Y399-A411 VanDerWaalsContact OH-CB 3.31Å; Y399-A411 WeakPolarHBondContact OH-CB 3.2Å; N407-A411 PolarHBondContact O-N 3.2Å; A411-A415 VanDerWaalsContact O-CB 3.26Å; A411-A415 WeakPolarHBondContact O-CB 3.4Å; A411-A415 PolarHBondContact O-N 2.96Å
412	A	98.8	Very high	98.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-67.2	-40.4	176.4	0	0	0	0	0	112.1	I352 P363 L364 I367 S408 L409 H410 Q416	I352-A412 HydrophobicContact CD1-CB 3.81Å; I352-A412 HydrophobicContact CG1-CB 4.11Å; P363-A412 HydrophobicContact CB-CB 3.95Å; P363-A412 HydrophobicContact CG-CB 4.4Å; L364-A412 HydrophobicContact CB-CB 4.13Å; L364-A412 HydrophobicContact CD1-CB 4.32Å; I367-A412 HydrophobicContact CG1-CB 4.46Å; S408-A412 WeakPolarHBondContact O-CB 3.36Å; S408-A412 PolarHBondContact O-N 3.37Å; L409-A412 WeakPolarHBondContact O-CB 3.47Å; L409-A412 PolarHBondContact O-N 2.78Å; H410-A412 PolarHBondContact O-N 3.45Å; A412-Q416 WeakPolarHBondContact O-CB 3.49Å; A412-Q416 PolarHBondContact O-N 3.07Å
413	D	98.9	Very high	98.6	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.011	6%	0.061	C	C	.	.	H	α-helix	trans	-65.1	-45.4	176.2	-172.4	44.6	0	0	0	112	I352 L409 H410 A415 Q416 S417 N567 K570 W578	I352-D413 HydrophobicContact CG1-CB 4.36Å; I352-D413 HydrophobicContact CG2-CB 4.18Å; L409-D413 PolarHBondContact O-N 3.43Å; H410-D413 WeakPolarHBondContact O-CB 3.5Å; H410-D413 PolarHBondContact O-N 3.3Å; D413-A415 PolarHBondContact O-N 3.23Å; D413-Q416 PolarHBondContact O-N 3.14Å; D413-S417 VanDerWaalsContact O-CB 3.23Å; D413-S417 WeakPolarHBondContact O-CB 3.37Å; D413-S417 PolarHBondContact O-N 3.47Å; D413-S417 PolarHBondContact O-OG 3.11Å; D413-N567 PolarHBondContact OD2-OD1 2.92Å; D413-K570 IonicContact OD1-NZ 3.48Å; D413-K570 PolarHBondContact OD1-NZ 3.36Å; D413-K570 IonicContact OD2-NZ 2.97Å; D413-K570 PolarHBondContact OD2-NZ 2.91Å; D413-W578 HydrophobicContact CB-CH2 4.43Å; D413-W578 HydrophobicContact CB-CZ2 3.77Å
414	V	98.9	Very high	98.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.3	-40.3	177.4	-179.4	0	0	0	0	110.9	H410 T418 A443 A563 D564	H410-V414 WeakPolarHBondContact CE1-CG2 3.38Å; H410-V414 WeakPolarHBondContact O-CG2 3.49Å; H410-V414 PolarHBondContact O-N 2.91Å; V414-T418 VanDerWaalsContact O-CB 3.27Å; V414-T418 WeakPolarHBondContact O-CB 3.5Å; V414-T418 PolarHBondContact O-N 2.78Å; V414-T418 PolarHBondContact O-OG1 3.47Å; V414-A443 HydrophobicContact CG1-CB 4.05Å; V414-A563 HydrophobicContact CG1-CB 3.96Å; V414-D564 HydrophobicContact CG1-CB 4.42Å
415	A	98.9	Very high	98.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.2	-41.9	175.1	0	0	0	0	0	112.6	M368 A411 D413 H419 A443	M368-A415 HydrophobicContact SD-CB 4Å; A411-A415 VanDerWaalsContact O-CB 3.26Å; A411-A415 WeakPolarHBondContact O-CB 3.4Å; A411-A415 PolarHBondContact O-N 2.96Å; D413-A415 PolarHBondContact O-N 3.23Å; A415-H419 WeakPolarHBondContact O-CB 3.38Å; A415-H419 PolarHBondContact O-N 3.01Å; A415-A443 HydrophobicContact CB-CB 4.23Å
416	Q	98.8	Very high	98.2	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-68.9	-42.7	176.5	-169.7	-85.2	-21.1	0	0	111.9	L345 K347 L350 I367 A412 D413 T418 H419 V420	L345-Q416 PolarHBondContact O-NE2 3.26Å; K347-Q416 PolarHBondContact O-NE2 3.48Å; L350-Q416 HydrophobicContact CD1-CG 4.21Å; L350-Q416 HydrophobicContact CD2-CG 4.39Å; I367-Q416 HydrophobicContact CG2-CB 3.92Å; A412-Q416 WeakPolarHBondContact O-CB 3.49Å; A412-Q416 PolarHBondContact O-N 3.07Å; D413-Q416 PolarHBondContact O-N 3.14Å; Q416-T418 PolarHBondContact O-N 3.12Å; Q416-H419 WeakPolarHBondContact O-CA 3.29Å; Q416-H419 VanDerWaalsContact O-CB 3.29Å; Q416-H419 WeakPolarHBondContact O-CB 3.39Å; Q416-H419 PolarHBondContact O-N 3.41Å; Q416-H419 VanDerWaalsContact O-N 3.12Å; Q416-V420 WeakPolarHBondContact O-CG2 3.2Å; Q416-V420 PolarHBondContact O-N 2.86Å
417	S	98.8	Very high	98	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.2	-44.1	176.8	-58.7	0	0	0	0	111	D413 H419 V420 L421 K570	D413-S417 VanDerWaalsContact O-CB 3.23Å; D413-S417 WeakPolarHBondContact O-CB 3.37Å; D413-S417 PolarHBondContact O-N 3.47Å; D413-S417 PolarHBondContact O-OG 3.11Å; S417-H419 VanDerWaalsContact C-N 3.29Å; S417-H419 PolarHBondContact O-N 3.44Å; S417-V420 PolarHBondContact O-N 3.27Å; S417-V420 VanDerWaalsContact O-N 3.15Å; S417-L421 WeakPolarHBondContact O-CG 3.16Å; S417-L421 PolarHBondContact O-N 3.45Å; S417-K570 WeakPolarHBondContact OG-CE 3.32Å; S417-K570 PolarHBondContact OG-NZ 3.43Å
418	T	98.9	Very high	97.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.2	-41.1	172.7	-59.2	0	0	0	0	111	V414 Q416 V420 L421 L422 A439 A443 M559 V560 A563	V414-T418 VanDerWaalsContact O-CB 3.27Å; V414-T418 WeakPolarHBondContact O-CB 3.5Å; V414-T418 PolarHBondContact O-N 2.78Å; V414-T418 PolarHBondContact O-OG1 3.47Å; Q416-T418 PolarHBondContact O-N 3.12Å; T418-V420 VanDerWaalsContact C-N 3.34Å; T418-V420 PolarHBondContact O-N 3.17Å; T418-L421 PolarHBondContact O-N 3.35Å; T418-L422 HydrophobicContact CG2-CD1 4.21Å; T418-L422 WeakPolarHBondContact O-CB 3.36Å; T418-L422 WeakPolarHBondContact O-CG 3.46Å; T418-L422 PolarHBondContact O-N 2.88Å; T418-A439 HydrophobicContact CG2-CB 4.2Å; T418-A443 HydrophobicContact CG2-CB 4.45Å; T418-M559 HydrophobicContact CG2-SD 4.47Å; T418-V560 HydrophobicContact CG2-CG2 4.21Å; T418-A563 VanDerWaalsContact OG1-CB 3.24Å; T418-A563 WeakPolarHBondContact OG1-CB 3.5Å
419	H	98.7	Very high	97.4	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.009	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-42.5	175	166.4	96.4	0	0	0	112	N346 I371 R375 A415 Q416 S417 S423	N346-H419 PolarHBondContact OD1-NE2 3.01Å; I371-H419 HydrophobicContact CD1-CB 3.75Å; I371-H419 HydrophobicContact CG1-CB 4.02Å; I371-H419 HydrophobicContact CG2-CB 4.32Å; I371-H419 WeakPolarHBondContact CG2-ND1 3.28Å; R375-H419 PolarHBondContact NE-CE1 3.44Å; R375-H419 VanDerWaalsContact NE-CE1 3.32Å; R375-H419 PolarHBondContact NE-ND1 3.32Å; R375-H419 PolarHBondContact NH2-O 3.23Å; A415-H419 WeakPolarHBondContact O-CB 3.38Å; A415-H419 PolarHBondContact O-N 3.01Å; Q416-H419 WeakPolarHBondContact O-CA 3.29Å; Q416-H419 VanDerWaalsContact O-CB 3.29Å; Q416-H419 WeakPolarHBondContact O-CB 3.39Å; Q416-H419 PolarHBondContact O-N 3.41Å; Q416-H419 VanDerWaalsContact O-N 3.12Å; S417-H419 VanDerWaalsContact C-N 3.29Å; S417-H419 PolarHBondContact O-N 3.44Å; H419-S423 PolarHBondContact O-OG 2.69Å
420	V	98.6	Very high	97.3	Very high	23 Å²	23	20.7 Å²	20.7	14%	0.139	14%	0.136	C	C	.	.	H	α-helix	trans	-67.2	-43.8	176.7	177.4	0	0	0	0	111.1	W348 Q416 S417 T418 L422 S423	W348-V420 HydrophobicContact CE3-CB 3.99Å; W348-V420 HydrophobicContact CE3-CG1 3.83Å; W348-V420 HydrophobicContact CZ3-CB 4.3Å; W348-V420 HydrophobicContact CZ3-CG1 4.47Å; Q416-V420 WeakPolarHBondContact O-CG2 3.2Å; Q416-V420 PolarHBondContact O-N 2.86Å; S417-V420 PolarHBondContact O-N 3.27Å; S417-V420 VanDerWaalsContact O-N 3.15Å; T418-V420 VanDerWaalsContact C-N 3.34Å; T418-V420 PolarHBondContact O-N 3.17Å; V420-L422 VanDerWaalsContact C-N 3.32Å; V420-L422 PolarHBondContact O-N 2.94Å; V420-S423 WeakPolarHBondContact O-CA 3.39Å; V420-S423 WeakPolarHBondContact O-CB 3.34Å; V420-S423 PolarHBondContact O-N 3.48Å
421	L	98.5	Very high	97.2	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-63	-35.1	179	-69.1	175.4	0	0	0	113.1	W348 S417 T418 S423 T424 M559 C562 A563 W627 W630	W348-L421 HydrophobicContact CH2-CD1 4.23Å; W348-L421 HydrophobicContact CH2-CD2 4.22Å; W348-L421 HydrophobicContact CH2-CG 4.12Å; W348-L421 HydrophobicContact CZ3-CD1 4.39Å; W348-L421 HydrophobicContact CZ3-CD2 4.02Å; W348-L421 HydrophobicContact CZ3-CG 3.82Å; S417-L421 WeakPolarHBondContact O-CG 3.16Å; S417-L421 PolarHBondContact O-N 3.45Å; T418-L421 PolarHBondContact O-N 3.35Å; L421-S423 PolarHBondContact O-N 3Å; L421-T424 VanDerWaalsContact O-CB 3.23Å; L421-T424 WeakPolarHBondContact O-CB 3.17Å; L421-T424 PolarHBondContact O-N 3.46Å; L421-T424 VanDerWaalsContact O-N 3.16Å; L421-T424 PolarHBondContact O-OG1 3.11Å; L421-M559 HydrophobicContact CB-CE 4.26Å; L421-M559 HydrophobicContact CB-CG 3.62Å; L421-M559 HydrophobicContact CB-SD 3.88Å; L421-M559 HydrophobicContact CD1-CG 3.83Å; L421-M559 HydrophobicContact CG-CG 4.38Å; L421-C562 HydrophobicContact CD1-CB 4.19Å; L421-A563 HydrophobicContact CD1-CB 4.26Å; L421-W627 HydrophobicContact CD1-CH2 4.25Å; L421-W627 HydrophobicContact CD2-CH2 4.05Å; L421-W627 HydrophobicContact CD2-CZ3 4.16Å; L421-W630 HydrophobicContact CB-CZ2 4.4Å; L421-W630 HydrophobicContact CD2-CZ2 4.15Å
422	L	98.3	Very high	97.2	Very high	12 Å²	12	25.1 Å²	25.1	6%	0.063	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.3	172.5	-77	169.5	0	0	0	113.3	T418 V420 F431 I436 A439 I440 L556 M559	T418-L422 HydrophobicContact CG2-CD1 4.21Å; T418-L422 WeakPolarHBondContact O-CB 3.36Å; T418-L422 WeakPolarHBondContact O-CG 3.46Å; T418-L422 PolarHBondContact O-N 2.88Å; V420-L422 VanDerWaalsContact C-N 3.32Å; V420-L422 PolarHBondContact O-N 2.94Å; L422-F431 HydrophobicContact CD2-CD2 3.97Å; L422-F431 HydrophobicContact CD2-CE2 4.42Å; L422-I436 HydrophobicContact CD1-CG2 4.25Å; L422-I436 HydrophobicContact CD2-CG1 4.41Å; L422-A439 HydrophobicContact CD1-CB 4.2Å; L422-I440 HydrophobicContact CD1-CD1 4.08Å; L422-I440 HydrophobicContact CD1-CG1 3.84Å; L422-L556 HydrophobicContact CD2-CD2 4.09Å; L422-M559 HydrophobicContact CB-SD 4.39Å; L422-M559 HydrophobicContact CD2-CE 4.01Å; L422-M559 HydrophobicContact CD2-SD 3.54Å; L422-M559 VanDerWaalsContact CD2-SD 3.54Å; L422-M559 HydrophobicContact CG-CE 4.39Å; L422-M559 HydrophobicContact CG-SD 3.55Å; L422-M559 VanDerWaalsContact CG-SD 3.55Å
423	S	97	Very high	97.1	Very high	64 Å²	64	29.1 Å²	29.1	45%	0.448	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	7	176.5	-62.9	0	0	0	0	113.4	R375 H419 V420 L421	R375-S423 PolarHBondContact NH2-OG 3.45Å; H419-S423 PolarHBondContact O-OG 2.69Å; V420-S423 WeakPolarHBondContact O-CA 3.39Å; V420-S423 WeakPolarHBondContact O-CB 3.34Å; V420-S423 PolarHBondContact O-N 3.48Å; L421-S423 PolarHBondContact O-N 3Å
424	T	96.2	Very high	97.1	Very high	15 Å²	15	30.1 Å²	30.1	9%	0.092	19%	0.188	C	C	.	.			trans	-59.7	125.8	176.8	-59.6	0	0	0	0	110.5	L421 A426 L427 D428 V634 D637	L421-T424 VanDerWaalsContact O-CB 3.23Å; L421-T424 WeakPolarHBondContact O-CB 3.17Å; L421-T424 PolarHBondContact O-N 3.46Å; L421-T424 VanDerWaalsContact O-N 3.16Å; L421-T424 PolarHBondContact O-OG1 3.11Å; T424-A426 VanDerWaalsContact C-N 3.28Å; T424-A426 HydrophobicContact CG2-CB 4.33Å; T424-A426 PolarHBondContact O-N 3.47Å; T424-L427 CarbonylContact O-C 3.38Å; T424-L427 WeakPolarHBondContact O-CA 3.33Å; T424-L427 PolarHBondContact O-N 2.75Å; T424-D428 PolarHBondContact O-N 3.45Å; T424-V634 HydrophobicContact CG2-CB 3.74Å; T424-V634 HydrophobicContact CG2-CG1 4.05Å; T424-V634 HydrophobicContact CG2-CG2 4.02Å; T424-D637 HydrophobicContact CG2-CB 3.55Å; T424-D637 WeakPolarHBondContact CG2-OD2 3.48Å
425	P	95.8	Very high	97.1	Very high	84 Å²	84	30.8 Å²	30.8	55%	0.545	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-51.6	-38.9	-178.1	-30.2	34.1	0	0	0	115.3	L427 D428 D637	P425-L427 PolarHBondContact O-N 3.37Å; P425-L427 VanDerWaalsContact O-N 3.12Å; P425-D428 WeakPolarHBondContact O-CB 3.43Å; P425-D428 PolarHBondContact O-N 3.01Å; P425-D428 VanDerWaalsContact O-N 3.12Å; P425-D637 VanDerWaalsContact CD-OD2 3.3Å; P425-D637 WeakPolarHBondContact CD-OD2 3.47Å
426	A	94.9	Very high	97.1	Very high	7 Å²	7	31.8 Å²	31.8	6%	0.058	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-62.3	-16.7	175.8	0	0	0	0	0	114.1	T424 V543 L544 V634 D637	T424-A426 VanDerWaalsContact C-N 3.28Å; T424-A426 HydrophobicContact CG2-CB 4.33Å; T424-A426 PolarHBondContact O-N 3.47Å; A426-V543 WeakPolarHBondContact O-CA 3.42Å; A426-L544 PolarHBondContact O-N 3.33Å; A426-V634 HydrophobicContact CB-CB 3.93Å; A426-V634 HydrophobicContact CB-CG1 4.27Å; A426-D637 WeakPolarHBondContact CB-OD2 3.41Å; A426-D637 PolarHBondContact N-OD2 2.85Å
427	L	95.3	Very high	97.1	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-110	8.4	179.7	-59.5	174.5	0	0	0	112.8	T424 P425 A429 V430 F431 L544 V555 M559 W630 V634	T424-L427 CarbonylContact O-C 3.38Å; T424-L427 WeakPolarHBondContact O-CA 3.33Å; T424-L427 PolarHBondContact O-N 2.75Å; P425-L427 PolarHBondContact O-N 3.37Å; P425-L427 VanDerWaalsContact O-N 3.12Å; L427-A429 PolarHBondContact O-N 2.84Å; L427-V430 WeakPolarHBondContact O-CB 3.47Å; L427-V430 WeakPolarHBondContact O-CG2 3.35Å; L427-V430 PolarHBondContact O-N 3.1Å; L427-V430 VanDerWaalsContact O-N 3.13Å; L427-F431 HydrophobicContact CB-CE2 4.26Å; L427-F431 HydrophobicContact CD1-CE2 4.23Å; L427-F431 HydrophobicContact CD2-CE2 4.2Å; L427-F431 HydrophobicContact CG-CE2 4.48Å; L427-L544 HydrophobicContact CD2-CB 4.45Å; L427-L544 HydrophobicContact CD2-CD1 3.73Å; L427-V555 HydrophobicContact CD2-CG1 4.41Å; L427-M559 HydrophobicContact CD1-CE 3.39Å; L427-W630 HydrophobicContact CD1-CH2 4.13Å; L427-W630 HydrophobicContact CD1-CZ2 4.16Å; L427-V634 HydrophobicContact CD1-CG1 4.14Å; L427-V634 HydrophobicContact CG-CG1 4.17Å
428	D	92.4	Very high	97.1	Very high	111 Å²	111	31.8 Å²	31.8	59%	0.594	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	133.1	-179.7	-175.7	41.3	0	0	0	111.9	T424 P425 V430 V543	T424-D428 PolarHBondContact O-N 3.45Å; P425-D428 WeakPolarHBondContact O-CB 3.43Å; P425-D428 PolarHBondContact O-N 3.01Å; P425-D428 VanDerWaalsContact O-N 3.12Å; D428-V430 PolarHBondContact O-N 2.83Å; D428-V543 VanDerWaalsContact O-CG1 3.32Å; D428-V543 WeakPolarHBondContact O-CG1 3.48Å
429	A	92.2	Very high	97.1	Very high	93 Å²	93	31.8 Å²	31.8	77%	0.769	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	12.6	-175.7	0	0	0	0	0	116.1	L427	L427-A429 PolarHBondContact O-N 2.84Å
430	V	95.5	Very high	97.1	Very high	16 Å²	16	31.7 Å²	31.7	10%	0.097	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-48.7	177.8	176.5	0	0	0	0	109.8	L427 D428 V543 L544 L546 R552	L427-V430 WeakPolarHBondContact O-CB 3.47Å; L427-V430 WeakPolarHBondContact O-CG2 3.35Å; L427-V430 PolarHBondContact O-N 3.1Å; L427-V430 VanDerWaalsContact O-N 3.13Å; D428-V430 PolarHBondContact O-N 2.83Å; V430-V543 HydrophobicContact CG2-CG1 3.51Å; V430-L544 WeakPolarHBondContact CG2-O 3.32Å; V430-L546 HydrophobicContact CG1-CB 4.28Å; V430-L546 HydrophobicContact CG1-CD1 3.69Å; V430-L546 HydrophobicContact CG1-CG 4.03Å; V430-R552 PolarHBondContact O-NH1 3.49Å; V430-R552 PolarHBondContact O-NH2 2.95Å
431	F	97.6	Very high	97.1	Very high	19 Å²	19	30.7 Å²	30.7	8%	0.083	19%	0.19	C	C	.	.	S	Bend	trans	-89.3	141.7	-174.8	-59.3	-66.1	0	0	0	113.2	L422 L427 E435 I436 L546 R552 V555 L556 M559	L422-F431 HydrophobicContact CD2-CD2 3.97Å; L422-F431 HydrophobicContact CD2-CE2 4.42Å; L427-F431 HydrophobicContact CB-CE2 4.26Å; L427-F431 HydrophobicContact CD1-CE2 4.23Å; L427-F431 HydrophobicContact CD2-CE2 4.2Å; L427-F431 HydrophobicContact CG-CE2 4.48Å; F431-E435 HydrophobicContact CB-CB 4.18Å; F431-E435 HydrophobicContact CD1-CB 4.38Å; F431-I436 HydrophobicContact CB-CG1 4.03Å; F431-L546 HydrophobicContact CE1-CD1 4.21Å; F431-L546 HydrophobicContact CZ-CD1 4.12Å; F431-R552 HydrophobicContact CE1-CB 4.41Å; F431-V555 HydrophobicContact CE2-CG1 4.49Å; F431-V555 HydrophobicContact CZ-CB 4.15Å; F431-V555 HydrophobicContact CZ-CG1 3.79Å; F431-L556 HydrophobicContact CD1-CD1 4.04Å; F431-L556 HydrophobicContact CD1-CD2 3.86Å; F431-L556 HydrophobicContact CD1-CG 4.05Å; F431-L556 HydrophobicContact CD2-CD2 4.28Å; F431-L556 HydrophobicContact CE1-CD1 3.99Å; F431-L556 HydrophobicContact CE1-CD2 3.66Å; F431-L556 HydrophobicContact CE1-CG 3.6Å; F431-L556 HydrophobicContact CE2-CD2 4.08Å; F431-L556 HydrophobicContact CG-CD2 4.17Å; F431-L556 HydrophobicContact CZ-CD2 3.78Å; F431-L556 HydrophobicContact CZ-CG 4.02Å; F431-M559 HydrophobicContact CE2-CE 4.14Å
432	T	97.7	Very high	97.1	Very high	73 Å²	73	30.5 Å²	30.5	45%	0.448	19%	0.189	S	C	.	.			trans	-75.1	159.2	171.1	66.2	0	0	0	0	110.4	L434 E435 I436	T432-L434 PolarHBondContact O-N 3.12Å; T432-E435 VanDerWaalsContact CB-OE2 3.27Å; T432-E435 WeakPolarHBondContact CB-OE2 3.3Å; T432-E435 WeakPolarHBondContact CG2-OE2 3.2Å; T432-E435 PolarHBondContact N-OE2 3.44Å; T432-E435 PolarHBondContact O-N 3.47Å; T432-E435 PolarHBondContact OG1-N 3.15Å; T432-E435 PolarHBondContact OG1-OE2 2.81Å; T432-I436 PolarHBondContact O-N 3.22Å
433	D	98.2	Very high	97.2	Very high	84 Å²	84	30 Å²	30	45%	0.449	19%	0.186	S	C	.	.	H	α-helix	trans	-54.2	-31.7	175	-57.8	-40.8	0	0	0	112.6	T380 F381 L437	T380-D433 HydrophobicContact CG2-CB 4.03Å; F381-D433 HydrophobicContact CE2-CB 3.95Å; F381-D433 WeakPolarHBondContact CE2-O 3.3Å; F381-D433 VanDerWaalsContact CZ-C 3.46Å; F381-D433 HydrophobicContact CZ-CB 3.64Å; F381-D433 WeakPolarHBondContact CZ-O 3.18Å; D433-L437 VanDerWaalsContact O-CB 3.29Å; D433-L437 WeakPolarHBondContact O-CB 3.48Å; D433-L437 PolarHBondContact O-N 3.48Å
434	L	98.5	Very high	97.3	Very high	23 Å²	23	26.9 Å²	26.9	12%	0.12	16%	0.164	C	C	.	.	H	α-helix	trans	-73	-34.9	-179.3	-170	71.9	0	0	0	111.7	F381 T432 A438 L498 Q502 T505 L506 M509	F381-L434 HydrophobicContact CE1-CD1 4.02Å; F381-L434 HydrophobicContact CZ-CB 4.35Å; F381-L434 HydrophobicContact CZ-CD1 4.31Å; T432-L434 PolarHBondContact O-N 3.12Å; L434-A438 WeakPolarHBondContact O-CB 3.37Å; L434-A438 PolarHBondContact O-N 3.39Å; L434-L498 HydrophobicContact CD1-CD1 4.32Å; L434-Q502 HydrophobicContact CD1-CB 4.15Å; L434-Q502 HydrophobicContact CD1-CG 4.43Å; L434-Q502 HydrophobicContact CD2-CB 4.17Å; L434-Q502 HydrophobicContact CD2-CG 4.14Å; L434-T505 HydrophobicContact CD2-CG2 4.22Å; L434-L506 HydrophobicContact CD1-CB 4.18Å; L434-L506 HydrophobicContact CD1-CD1 4.05Å; L434-L506 HydrophobicContact CG-CB 4.47Å; L434-M509 HydrophobicContact CD2-CE 4.37Å; L434-M509 HydrophobicContact CG-CE 4.17Å
435	E	98.6	Very high	97.4	Very high	14 Å²	14	26.2 Å²	26.2	7%	0.065	16%	0.16	C	C	.	.	H	α-helix	trans	-72.2	-41.6	174.2	-76.1	153.3	142.4	0	0	111.1	F431 T432 L437 A438 A439 M509 R552 L556	F431-E435 HydrophobicContact CB-CB 4.18Å; F431-E435 HydrophobicContact CD1-CB 4.38Å; T432-E435 VanDerWaalsContact CB-OE2 3.27Å; T432-E435 WeakPolarHBondContact CB-OE2 3.3Å; T432-E435 WeakPolarHBondContact CG2-OE2 3.2Å; T432-E435 PolarHBondContact N-OE2 3.44Å; T432-E435 PolarHBondContact O-N 3.47Å; T432-E435 PolarHBondContact OG1-N 3.15Å; T432-E435 PolarHBondContact OG1-OE2 2.81Å; E435-L437 PolarHBondContact O-N 2.83Å; E435-A438 PolarHBondContact O-N 2.98Å; E435-A439 WeakPolarHBondContact O-CB 3.35Å; E435-A439 PolarHBondContact O-N 2.7Å; E435-M509 HydrophobicContact CB-SD 4.47Å; E435-M509 HydrophobicContact CG-CE 3.93Å; E435-M509 HydrophobicContact CG-SD 3.47Å; E435-M509 WeakPolarHBondContact CG-SD 3.46Å; E435-R552 IonicContact OE1-CZ 3.11Å; E435-R552 IonicContact OE1-NE 3Å; E435-R552 PolarHBondContact OE1-NE 3.21Å; E435-R552 IonicContact OE1-NH2 3.48Å; E435-R552 PolarHBondContact OE1-NH2 3.36Å; E435-R552 VanDerWaalsContact OE1-NH2 3.14Å; E435-R552 IonicContact OE2-CZ 2.67Å; E435-R552 IonicContact OE2-NE 3.36Å; E435-R552 IonicContact OE2-NH2 3.73Å; E435-R552 PolarHBondContact OE2-NH2 2.9Å; E435-L556 HydrophobicContact CB-CD1 3.98Å; E435-L556 HydrophobicContact CG-CD1 4.13Å
436	I	98.7	Very high	97.5	Very high	22 Å²	22	22.2 Å²	22.2	11%	0.113	13%	0.134	C	C	.	.	H	α-helix	trans	-58.1	-48.7	172.8	-69.4	171.3	0	0	0	110.2	L377 L422 F431 T432 A438 A439 I440	L377-I436 HydrophobicContact CD1-CG2 4.42Å; L377-I436 HydrophobicContact CD2-CG2 4.27Å; L422-I436 HydrophobicContact CD1-CG2 4.25Å; L422-I436 HydrophobicContact CD2-CG1 4.41Å; F431-I436 HydrophobicContact CB-CG1 4.03Å; T432-I436 PolarHBondContact O-N 3.22Å; I436-A438 VanDerWaalsContact C-N 3.32Å; I436-A438 PolarHBondContact O-N 3.32Å; I436-A439 PolarHBondContact O-N 3Å; I436-I440 HydrophobicContact CG2-CD1 3.69Å; I436-I440 WeakPolarHBondContact O-CD1 3.48Å; I436-I440 WeakPolarHBondContact O-CG1 3.48Å; I436-I440 PolarHBondContact O-N 3.28Å; I436-I440 VanDerWaalsContact O-N 3.1Å
437	L	98.7	Very high	97.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-57.8	-45	175	174.8	63.4	0	0	0	111.6	F372 F381 D433 E435 F441 F495 L498 L506	F372-L437 HydrophobicContact CE1-CD1 3.61Å; F372-L437 HydrophobicContact CZ-CD1 3.5Å; F372-L437 VanDerWaalsContact CZ-CD1 3.5Å; F381-L437 HydrophobicContact CD1-CD2 4.3Å; F381-L437 HydrophobicContact CD2-CB 4.35Å; F381-L437 HydrophobicContact CD2-CD2 3.66Å; F381-L437 HydrophobicContact CD2-CG 4.41Å; F381-L437 HydrophobicContact CE1-CD2 4.35Å; F381-L437 HydrophobicContact CE2-CB 3.76Å; F381-L437 HydrophobicContact CE2-CD2 3.73Å; F381-L437 HydrophobicContact CE2-CG 4.27Å; F381-L437 HydrophobicContact CG-CD2 3.94Å; F381-L437 HydrophobicContact CZ-CB 4.26Å; F381-L437 HydrophobicContact CZ-CD2 4.08Å; D433-L437 VanDerWaalsContact O-CB 3.29Å; D433-L437 WeakPolarHBondContact O-CB 3.48Å; D433-L437 PolarHBondContact O-N 3.48Å; E435-L437 PolarHBondContact O-N 2.83Å; L437-F441 WeakPolarHBondContact O-CB 3.37Å; L437-F441 PolarHBondContact O-N 3.45Å; L437-F495 HydrophobicContact CD1-CE1 4.21Å; L437-F495 HydrophobicContact CD2-CD1 4.28Å; L437-F495 HydrophobicContact CD2-CE1 3.93Å; L437-F495 HydrophobicContact CG-CE1 4.22Å; L437-L498 HydrophobicContact CD2-CD1 4.4Å; L437-L506 HydrophobicContact CD2-CD1 3.47Å; L437-L506 VanDerWaalsContact CD2-CD1 3.47Å; L437-L506 HydrophobicContact CG-CD1 3.79Å
438	A	98.8	Very high	97.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.6	-42.1	-179.2	0	0	0	0	0	112.3	L434 E435 I436 A442 L506 M509 V510 M513	L434-A438 WeakPolarHBondContact O-CB 3.37Å; L434-A438 PolarHBondContact O-N 3.39Å; E435-A438 PolarHBondContact O-N 2.98Å; I436-A438 VanDerWaalsContact C-N 3.32Å; I436-A438 PolarHBondContact O-N 3.32Å; A438-A442 WeakPolarHBondContact O-CB 3.23Å; A438-A442 PolarHBondContact O-N 3.09Å; A438-L506 HydrophobicContact CB-CG 4.26Å; A438-M509 HydrophobicContact CB-CB 4.02Å; A438-M509 HydrophobicContact CB-CE 3.73Å; A438-V510 HydrophobicContact CB-CG2 3.95Å; A438-M513 VanDerWaalsContact C-CE 3.4Å; A438-M513 HydrophobicContact CB-CE 3.74Å; A438-M513 WeakPolarHBondContact O-CE 3.15Å
439	A	98.8	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.7	-46.7	-178.9	0	0	0	0	0	111.9	T418 L422 E435 I436 F441 A442 A443 M513 L556	T418-A439 HydrophobicContact CG2-CB 4.2Å; L422-A439 HydrophobicContact CD1-CB 4.2Å; E435-A439 WeakPolarHBondContact O-CB 3.35Å; E435-A439 PolarHBondContact O-N 2.7Å; I436-A439 PolarHBondContact O-N 3Å; A439-F441 VanDerWaalsContact C-N 3.34Å; A439-F441 PolarHBondContact O-N 3.11Å; A439-A442 PolarHBondContact O-N 2.95Å; A439-A443 WeakPolarHBondContact O-CB 3.42Å; A439-A443 PolarHBondContact O-N 3.15Å; A439-M513 HydrophobicContact CB-CE 4.34Å; A439-M513 HydrophobicContact CB-SD 3.94Å; A439-L556 HydrophobicContact CB-CD2 4.18Å
440	I	98.9	Very high	98.5	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.1	-40.5	177.5	-64	161.7	0	0	0	110.6	M368 I371 F372 L377 L422 I436 A444	M368-I440 HydrophobicContact CE-CG2 3.94Å; M368-I440 HydrophobicContact SD-CG2 3.57Å; M368-I440 VanDerWaalsContact SD-CG2 3.57Å; I371-I440 HydrophobicContact CG2-CD1 3.69Å; I371-I440 HydrophobicContact CG2-CG1 4.37Å; I371-I440 HydrophobicContact CG2-CG2 3.95Å; F372-I440 HydrophobicContact CD2-CG2 4.49Å; F372-I440 HydrophobicContact CE2-CG2 3.85Å; L377-I440 HydrophobicContact CD1-CD1 4.03Å; L422-I440 HydrophobicContact CD1-CD1 4.08Å; L422-I440 HydrophobicContact CD1-CG1 3.84Å; I436-I440 HydrophobicContact CG2-CD1 3.69Å; I436-I440 WeakPolarHBondContact O-CD1 3.48Å; I436-I440 WeakPolarHBondContact O-CG1 3.48Å; I436-I440 PolarHBondContact O-N 3.28Å; I436-I440 VanDerWaalsContact O-N 3.1Å; I440-A444 WeakPolarHBondContact O-CB 3.32Å; I440-A444 PolarHBondContact O-N 2.9Å
441	F	98.9	Very high	98.6	Very high	1 Å²	1	15 Å²	15	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-66.5	-41.5	175.5	-178.6	-100.4	0	0	0	112.4	Y391 L437 A439 A444 I445 F484 I494 F495 V510	Y391-F441 HydrophobicContact CE1-CD2 4.44Å; Y391-F441 AromaticContact CE1-CE2 3.59Å; Y391-F441 HydrophobicContact CE1-CE2 3.59Å; Y391-F441 HydrophobicContact CE1-CZ 4.42Å; Y391-F441 AromaticContact CZ-CE2 3.6Å; Y391-F441 AromaticContact CZ-CZ 3.98Å; Y391-F441 WeakPolarHBondContact OH-CE2 3.43Å; Y391-F441 WeakPolarHBondContact OH-CZ 3.39Å; L437-F441 WeakPolarHBondContact O-CB 3.37Å; L437-F441 PolarHBondContact O-N 3.45Å; A439-F441 VanDerWaalsContact C-N 3.34Å; A439-F441 PolarHBondContact O-N 3.11Å; F441-A444 PolarHBondContact O-N 3.47Å; F441-I445 HydrophobicContact CD1-CD1 4.21Å; F441-I445 HydrophobicContact CD2-CG2 4.47Å; F441-I445 HydrophobicContact CE1-CD1 3.68Å; F441-I445 HydrophobicContact CE1-CG1 4.4Å; F441-I445 HydrophobicContact CE1-CG2 4.24Å; F441-I445 HydrophobicContact CE2-CG2 4.08Å; F441-I445 HydrophobicContact CZ-CD1 4.27Å; F441-I445 HydrophobicContact CZ-CG2 3.95Å; F441-I445 WeakPolarHBondContact O-CG1 3.22Å; F441-I445 PolarHBondContact O-N 3.04Å; F441-F484 HydrophobicContact CE1-CE1 4.38Å; F441-F484 HydrophobicContact CE1-CZ 4.24Å; F441-I494 HydrophobicContact CD2-CD1 3.98Å; F441-I494 HydrophobicContact CE2-CD1 3.87Å; F441-F495 HydrophobicContact CB-CZ 4.43Å; F441-F495 HydrophobicContact CD1-CE2 4.23Å; F441-F495 AromaticContact CD1-CZ 3.95Å; F441-F495 HydrophobicContact CD1-CZ 3.95Å; F441-F495 HydrophobicContact CD2-CE2 4.24Å; F441-F495 AromaticContact CD2-CZ 3.6Å; F441-F495 HydrophobicContact CD2-CZ 3.6Å; F441-F495 AromaticContact CE1-CE2 3.86Å; F441-F495 HydrophobicContact CE1-CE2 3.86Å; F441-F495 HydrophobicContact CE1-CZ 4.02Å; F441-F495 AromaticContact CE2-CE2 3.85Å; F441-F495 HydrophobicContact CE2-CE2 3.85Å; F441-F495 AromaticContact CE2-CZ 3.65Å; F441-F495 HydrophobicContact CE2-CZ 3.65Å; F441-F495 HydrophobicContact CG-CE2 4.4Å; F441-F495 AromaticContact CG-CZ 3.73Å; F441-F495 HydrophobicContact CG-CZ 3.73Å; F441-F495 AromaticContact CZ-CE2 3.65Å; F441-F495 HydrophobicContact CZ-CE2 3.65Å; F441-F495 AromaticContact CZ-CZ 3.87Å; F441-F495 HydrophobicContact CZ-CZ 3.87Å; F441-V510 HydrophobicContact CD1-CG1 3.93Å; F441-V510 HydrophobicContact CD1-CG2 3.82Å; F441-V510 HydrophobicContact CE1-CG1 4.16Å
442	A	98.9	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.2	-49.6	175.6	0	0	0	0	0	110.7	A438 A439 A444 I445 H446 V510 M513 V514	A438-A442 WeakPolarHBondContact O-CB 3.23Å; A438-A442 PolarHBondContact O-N 3.09Å; A439-A442 PolarHBondContact O-N 2.95Å; A442-A444 VanDerWaalsContact C-N 3.29Å; A442-A444 PolarHBondContact O-N 3.29Å; A442-I445 PolarHBondContact O-N 2.83Å; A442-I445 VanDerWaalsContact O-N 3.15Å; A442-H446 WeakPolarHBondContact O-CA 3.23Å; A442-H446 WeakPolarHBondContact O-CB 3.48Å; A442-H446 PolarHBondContact O-N 3.47Å; A442-V510 HydrophobicContact CB-CG1 4.16Å; A442-M513 HydrophobicContact CB-CB 3.86Å; A442-M513 HydrophobicContact CB-CE 3.97Å; A442-M513 HydrophobicContact CB-SD 4.35Å; A442-V514 HydrophobicContact CB-CG2 3.98Å
443	A	98.9	Very high	98.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-56.9	-39.5	175.4	0	0	0	0	0	112.8	V414 A415 T418 A439 I445 H446	V414-A443 HydrophobicContact CG1-CB 4.05Å; A415-A443 HydrophobicContact CB-CB 4.23Å; T418-A443 HydrophobicContact CG2-CB 4.45Å; A439-A443 WeakPolarHBondContact O-CB 3.42Å; A439-A443 PolarHBondContact O-N 3.15Å; A443-I445 VanDerWaalsContact C-N 3.33Å; A443-I445 PolarHBondContact O-N 2.97Å; A443-H446 PolarHBondContact O-ND1 3.37Å
444	A	98.9	Very high	98.6	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-70.1	-25.1	179.2	0	0	0	0	0	114.7	L364 M368 L395 Y399 I440 F441 A442	L364-A444 HydrophobicContact CD1-CB 4.15Å; M368-A444 HydrophobicContact CE-CB 3.5Å; M368-A444 HydrophobicContact CG-CB 4.27Å; M368-A444 HydrophobicContact SD-CB 3.76Å; L395-A444 HydrophobicContact CD2-CB 4.33Å; Y399-A444 PolarHBondContact OH-O 3.35Å; Y399-A444 VanDerWaalsContact OH-O 3.11Å; I440-A444 WeakPolarHBondContact O-CB 3.32Å; I440-A444 PolarHBondContact O-N 2.9Å; F441-A444 PolarHBondContact O-N 3.47Å; A442-A444 VanDerWaalsContact C-N 3.29Å; A442-A444 PolarHBondContact O-N 3.29Å
445	I	98.8	Very high	98.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-108.6	-3.7	-177.3	72	165	0	0	0	113.6	L395 F441 A442 A443 D447 V448 L480 V510 V514	L395-I445 HydrophobicContact CD1-CB 4.44Å; L395-I445 HydrophobicContact CD1-CG2 3.85Å; L395-I445 HydrophobicContact CD2-CG2 3.81Å; F441-I445 HydrophobicContact CD1-CD1 4.21Å; F441-I445 HydrophobicContact CD2-CG2 4.47Å; F441-I445 HydrophobicContact CE1-CD1 3.68Å; F441-I445 HydrophobicContact CE1-CG1 4.4Å; F441-I445 HydrophobicContact CE1-CG2 4.24Å; F441-I445 HydrophobicContact CE2-CG2 4.08Å; F441-I445 HydrophobicContact CZ-CD1 4.27Å; F441-I445 HydrophobicContact CZ-CG2 3.95Å; F441-I445 WeakPolarHBondContact O-CG1 3.22Å; F441-I445 PolarHBondContact O-N 3.04Å; A442-I445 PolarHBondContact O-N 2.83Å; A442-I445 VanDerWaalsContact O-N 3.15Å; A443-I445 VanDerWaalsContact C-N 3.33Å; A443-I445 PolarHBondContact O-N 2.97Å; I445-D447 PolarHBondContact O-N 3.33Å; I445-V448 HydrophobicContact CB-CG1 4.42Å; I445-V448 WeakPolarHBondContact O-CG1 3.48Å; I445-V448 PolarHBondContact O-N 2.9Å; I445-L480 HydrophobicContact CD1-CD2 4.33Å; I445-V510 HydrophobicContact CD1-CG1 3.9Å; I445-V514 HydrophobicContact CG1-CG2 4.2Å
446	H	98.9	Very high	98.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.6	-163.1	75.9	-71.2	0	0	0	114.1	H410 A442 A443 H479 V514 T517 D564	H410-H446 AromaticContact CD2-NE2 3.92Å; H410-H446 AromaticContact NE2-CE1 3.92Å; H410-H446 AromaticContact NE2-NE2 3.44Å; H410-H446 PolarHBondContact NE2-NE2 3.47Å; A442-H446 WeakPolarHBondContact O-CA 3.23Å; A442-H446 WeakPolarHBondContact O-CB 3.48Å; A442-H446 PolarHBondContact O-N 3.47Å; A443-H446 PolarHBondContact O-ND1 3.37Å; H446-H479 WeakPolarHBondContact O-CB 3.36Å; H446-H479 PolarHBondContact O-CD2 2.71Å; H446-V514 HydrophobicContact CB-CG1 4.3Å; H446-V514 HydrophobicContact CB-CG2 4.32Å; H446-T517 HydrophobicContact CB-CG2 4.35Å; H446-D564 IonicContact NE2-OD1 3.62Å
447	D	98.8	Very high	98.5	Very high	11 Å²	11	12.8 Å²	12.8	6%	0.059	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	15.8	-178.3	-79.7	-19.7	0	0	0	114.4	Y399 H406 H410 I445 D449 H450 H479	Y399-D447 HydrophobicContact CE1-CB 3.75Å; Y399-D447 WeakPolarHBondContact CE1-O 3.31Å; Y399-D447 PolarHBondContact OH-N 2.76Å; H406-D447 IonicContact CD2-OD2 3.05Å; H406-D447 PolarHBondContact CD2-OD2 3.45Å; H410-D447 IonicContact CD2-OD2 3.63Å; H410-D447 PolarHBondContact CD2-OD2 2.83Å; H410-D447 VanDerWaalsContact CD2-OD2 3.23Å; H410-D447 IonicContact NE2-OD2 2.74Å; H410-D447 PolarHBondContact NE2-OD2 3.42Å; I445-D447 PolarHBondContact O-N 3.33Å; D447-D449 PolarHBondContact O-N 3.02Å; D447-H450 HydrophobicContact CB-CB 4.44Å; D447-H450 VanDerWaalsContact O-CB 3.23Å; D447-H450 WeakPolarHBondContact O-CB 3.3Å; D447-H450 PolarHBondContact O-N 2.99Å; D447-H450 VanDerWaalsContact O-N 3.11Å; D447-H479 IonicContact OD1-CD2 3.43Å; D447-H479 IonicContact OD1-NE2 3.99Å
448	V	98.7	Very high	98.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	135.3	-176.2	64.5	0	0	0	0	111	L395 H398 Y399 I445 H450 H479 V482	L395-V448 HydrophobicContact CD1-CB 3.9Å; L395-V448 HydrophobicContact CD1-CG1 4.35Å; L395-V448 HydrophobicContact CD1-CG2 3.59Å; H398-V448 HydrophobicContact CB-CG2 3.62Å; Y399-V448 HydrophobicContact CD2-CB 4.43Å; Y399-V448 HydrophobicContact CD2-CG2 4.29Å; Y399-V448 HydrophobicContact CE2-CB 3.86Å; Y399-V448 HydrophobicContact CE2-CG2 4.16Å; Y399-V448 PolarHBondContact OH-N 3.06Å; I445-V448 HydrophobicContact CB-CG1 4.42Å; I445-V448 WeakPolarHBondContact O-CG1 3.48Å; I445-V448 PolarHBondContact O-N 2.9Å; V448-H450 VanDerWaalsContact C-N 3.29Å; V448-H450 PolarHBondContact O-N 2.78Å; V448-H479 HydrophobicContact CG1-CB 4.31Å; V448-H479 WeakPolarHBondContact CG1-O 3.24Å; V448-H479 PolarHBondContact O-ND1 3.09Å; V448-V482 HydrophobicContact CG1-CB 3.94Å; V448-V482 HydrophobicContact CG1-CG1 3.93Å; V448-V482 HydrophobicContact CG2-CG1 3.87Å
449	D	98.5	Very high	98.4	Very high	21 Å²	21	15.1 Å²	15.1	11%	0.112	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	25.6	-176.7	-155.6	43.2	0	0	0	114	H398 H400 D447 H478 V482	H398-D449 VanDerWaalsContact O-CA 3.28Å; H398-D449 WeakPolarHBondContact O-CA 3.41Å; H398-D449 PolarHBondContact O-N 3.15Å; H398-D449 VanDerWaalsContact O-N 3.08Å; H400-D449 IonicContact CD2-OD1 2.77Å; H400-D449 IonicContact CE1-OD1 3.37Å; H400-D449 PolarHBondContact CE1-OD1 3.03Å; H400-D449 IonicContact NE2-OD1 3.86Å; H400-D449 PolarHBondContact NE2-OD1 2.87Å; D447-D449 PolarHBondContact O-N 3.02Å; D449-H478 IonicContact OD2-CD2 3.18Å; D449-H478 IonicContact OD2-CE1 2.89Å; D449-H478 PolarHBondContact OD2-CE1 3.08Å; D449-H478 IonicContact OD2-NE2 3.32Å; D449-H478 PolarHBondContact OD2-NE2 3.32Å; D449-V482 HydrophobicContact CB-CG1 4.33Å; D449-V482 HydrophobicContact CB-CG2 4.16Å
450	H	98.6	Very high	98.3	Very high	11 Å²	11	19.1 Å²	19.1	5%	0.051	10%	0.103	C	C	.	.			trans	-64.8	123.8	174	-168.9	-83.4	0	0	0	111.8	H406 D447 V448 G452 H479 E585	H406-H450 HydrophobicContact CB-CB 3.88Å; H406-H450 WeakPolarHBondContact CB-ND1 3.27Å; H406-H450 AromaticContact CG-CE1 3.67Å; H406-H450 AromaticContact CG-CG 4Å; H406-H450 AromaticContact CG-ND1 3.67Å; H406-H450 AromaticContact ND1-CE1 3.46Å; H406-H450 PolarHBondContact ND1-CE1 3.12Å; H406-H450 AromaticContact ND1-ND1 3.8Å; D447-H450 HydrophobicContact CB-CB 4.44Å; D447-H450 VanDerWaalsContact O-CB 3.23Å; D447-H450 WeakPolarHBondContact O-CB 3.3Å; D447-H450 PolarHBondContact O-N 2.99Å; D447-H450 VanDerWaalsContact O-N 3.11Å; V448-H450 VanDerWaalsContact C-N 3.29Å; V448-H450 PolarHBondContact O-N 2.78Å; H450-G452 PolarHBondContact ND1-N 3.35Å; H450-G452 VanDerWaalsContact ND1-N 3.1Å; H450-G452 PolarHBondContact O-N 2.7Å; H450-H479 AromaticContact CD2-CE1 3.85Å; H450-H479 AromaticContact CD2-NE2 3.7Å; H450-E585 IonicContact CE1-OE1 3.45Å; H450-E585 IonicContact ND1-OE1 3.58Å
451	P	98.3	Very high	98.2	Very high	35 Å²	35	20.8 Å²	20.8	23%	0.227	11%	0.114	C	C	.	.			trans	-83.1	8.9	-172.6	33.5	-36.3	0	0	0	114.8	V453 L458 L475	P451-V453 HydrophobicContact CB-CG2 4.17Å; P451-V453 HydrophobicContact CG-CG2 3.73Å; P451-L458 HydrophobicContact CG-CD1 4.49Å; P451-L458 HydrophobicContact CG-CD2 4.47Å; P451-L475 VanDerWaalsContact CD-CD2 3.41Å; P451-L475 HydrophobicContact CG-CD2 3.91Å
452	G	98.2	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	67.7	31.8	-177.1	0	0	0	0	0	114	H450 E585	H450-G452 PolarHBondContact ND1-N 3.35Å; H450-G452 VanDerWaalsContact ND1-N 3.1Å; H450-G452 PolarHBondContact O-N 2.7Å; G452-E585 VanDerWaalsContact CA-OE1 3.27Å; G452-E585 WeakPolarHBondContact CA-OE1 3.4Å
453	V	98.4	Very high	98	Very high	6 Å²	6	27.6 Å²	27.6	4%	0.036	15%	0.152	C	C	.	.	S	Bend	trans	-147.6	148.5	177.3	-65.2	0	0	0	0	110.2	P451 F457 L458 L475 Q589 K592	P451-V453 HydrophobicContact CB-CG2 4.17Å; P451-V453 HydrophobicContact CG-CG2 3.73Å; V453-F457 HydrophobicContact CB-CB 4.19Å; V453-F457 HydrophobicContact CB-CD1 3.58Å; V453-F457 HydrophobicContact CB-CE1 4.1Å; V453-F457 HydrophobicContact CB-CG 3.96Å; V453-F457 HydrophobicContact CG1-CD1 3.85Å; V453-F457 HydrophobicContact CG1-CE1 3.88Å; V453-F457 HydrophobicContact CG1-CG 4.26Å; V453-F457 HydrophobicContact CG1-CZ 4.32Å; V453-F457 HydrophobicContact CG2-CD1 3.56Å; V453-F457 HydrophobicContact CG2-CE1 3.99Å; V453-F457 HydrophobicContact CG2-CG 4.4Å; V453-L458 HydrophobicContact CG2-CD2 3.8Å; V453-L458 HydrophobicContact CG2-CG 4.14Å; V453-L475 WeakPolarHBondContact O-CD1 3.46Å; V453-Q589 HydrophobicContact CB-CG 4.33Å; V453-Q589 HydrophobicContact CG1-CB 4.21Å; V453-Q589 HydrophobicContact CG1-CG 3.98Å; V453-K592 HydrophobicContact CG1-CD 3.88Å
454	S	98	Very high	97.9	Very high	43 Å²	43	33.9 Å²	33.9	30%	0.301	18%	0.181	S	C	.	.			trans	-68.6	159.8	-177.9	65.2	0	0	0	0	114.9	Q456 F457 L458 Q589	S454-Q456 PolarHBondContact O-N 2.98Å; S454-F457 WeakPolarHBondContact O-CB 3.31Å; S454-F457 PolarHBondContact O-N 3.09Å; S454-F457 VanDerWaalsContact O-N 3.11Å; S454-F457 PolarHBondContact OG-N 3.08Å; S454-L458 PolarHBondContact O-N 3.13Å; S454-L458 VanDerWaalsContact O-N 3.12Å; S454-Q589 PolarHBondContact OG-NE2 2.92Å; S454-Q589 PolarHBondContact OG-OE1 3.36Å
455	N	97.8	Very high	97.8	Very high	29 Å²	29	35.2 Å²	35.2	16%	0.155	19%	0.188	C	C	.	.	H	α-helix	trans	-49.6	-44.2	168.7	-82	-31.5	0	0	0	112	F457 L458 I459 V474 L475 E476	N455-F457 PolarHBondContact O-N 3.01Å; N455-L458 WeakPolarHBondContact O-CB 3.3Å; N455-L458 PolarHBondContact O-N 3.16Å; N455-I459 WeakPolarHBondContact O-CD1 3.37Å; N455-I459 VanDerWaalsContact O-CG1 3.27Å; N455-I459 WeakPolarHBondContact O-CG1 3.31Å; N455-I459 PolarHBondContact O-N 3.22Å; N455-V474 WeakPolarHBondContact OD1-CB 3.11Å; N455-V474 PolarHBondContact OD1-N 2.97Å; N455-L475 VanDerWaalsContact OD1-CB 3.27Å; N455-L475 WeakPolarHBondContact OD1-CB 3.48Å; N455-L475 WeakPolarHBondContact OD1-CD1 3.34Å; N455-L475 WeakPolarHBondContact OD1-CG 3.25Å; N455-L475 PolarHBondContact OD1-N 3.1Å; N455-E476 PolarHBondContact ND2-OE1 2.78Å; N455-E476 VanDerWaalsContact ND2-OE1 3.1Å; N455-E476 PolarHBondContact ND2-OE2 2.73Å
456	Q	97.1	Very high	97.7	Very high	105 Å²	105	35.2 Å²	35.2	49%	0.491	19%	0.188	S	C	.	.	H	α-helix	trans	-64.9	-38.1	-179.4	-170.2	62.2	60.2	0	0	112.6	S454 I459 N460	S454-Q456 PolarHBondContact O-N 2.98Å; Q456-I459 PolarHBondContact O-N 3.27Å; Q456-N460 PolarHBondContact NE2-OD1 3.04Å; Q456-N460 WeakPolarHBondContact O-CB 3.49Å; Q456-N460 PolarHBondContact O-N 3.07Å; Q456-N460 PolarHBondContact O-ND2 3.39Å
457	F	97.9	Very high	97.6	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-62.6	-44	173.7	176.8	-85.4	0	0	0	111.3	V453 S454 N455 I459 N460 T461 Q589 K592 E593 M598	V453-F457 HydrophobicContact CB-CB 4.19Å; V453-F457 HydrophobicContact CB-CD1 3.58Å; V453-F457 HydrophobicContact CB-CE1 4.1Å; V453-F457 HydrophobicContact CB-CG 3.96Å; V453-F457 HydrophobicContact CG1-CD1 3.85Å; V453-F457 HydrophobicContact CG1-CE1 3.88Å; V453-F457 HydrophobicContact CG1-CG 4.26Å; V453-F457 HydrophobicContact CG1-CZ 4.32Å; V453-F457 HydrophobicContact CG2-CD1 3.56Å; V453-F457 HydrophobicContact CG2-CE1 3.99Å; V453-F457 HydrophobicContact CG2-CG 4.4Å; S454-F457 WeakPolarHBondContact O-CB 3.31Å; S454-F457 PolarHBondContact O-N 3.09Å; S454-F457 VanDerWaalsContact O-N 3.11Å; S454-F457 PolarHBondContact OG-N 3.08Å; N455-F457 PolarHBondContact O-N 3.01Å; F457-I459 VanDerWaalsContact C-N 3.33Å; F457-I459 PolarHBondContact O-N 3.5Å; F457-N460 PolarHBondContact O-N 3.15Å; F457-T461 HydrophobicContact CD1-CG2 4.3Å; F457-T461 HydrophobicContact CD2-CG2 4.44Å; F457-T461 HydrophobicContact CE1-CG2 4.09Å; F457-T461 HydrophobicContact CE2-CG2 4.23Å; F457-T461 HydrophobicContact CG-CG2 4.49Å; F457-T461 HydrophobicContact CZ-CG2 4.07Å; F457-T461 WeakPolarHBondContact O-CB 3.4Å; F457-T461 WeakPolarHBondContact O-CG2 3.41Å; F457-T461 PolarHBondContact O-N 3.41Å; F457-T461 PolarHBondContact O-OG1 2.89Å; F457-Q589 HydrophobicContact CD2-CG 3.95Å; F457-Q589 HydrophobicContact CE2-CG 4.45Å; F457-Q589 HydrophobicContact CG-CG 4.35Å; F457-K592 HydrophobicContact CE2-CB 4.13Å; F457-K592 HydrophobicContact CZ-CB 4Å; F457-E593 HydrophobicContact CD2-CG 3.61Å; F457-E593 HydrophobicContact CE2-CG 3.65Å; F457-M598 HydrophobicContact CD2-CE 4.49Å
458	L	97.9	Very high	97.5	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.058	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-38.8	178.2	-69.1	-179.2	0	0	0	112.8	P451 V453 S454 N455 T461 N462 S463 L465 A466 V474 L475	P451-L458 HydrophobicContact CG-CD1 4.49Å; P451-L458 HydrophobicContact CG-CD2 4.47Å; V453-L458 HydrophobicContact CG2-CD2 3.8Å; V453-L458 HydrophobicContact CG2-CG 4.14Å; S454-L458 PolarHBondContact O-N 3.13Å; S454-L458 VanDerWaalsContact O-N 3.12Å; N455-L458 WeakPolarHBondContact O-CB 3.3Å; N455-L458 PolarHBondContact O-N 3.16Å; L458-T461 PolarHBondContact O-OG1 3.29Å; L458-N462 PolarHBondContact O-N 2.8Å; L458-S463 WeakPolarHBondContact CB-OG 3.44Å; L458-S463 WeakPolarHBondContact O-CB 3.48Å; L458-S463 PolarHBondContact O-N 3.06Å; L458-S463 PolarHBondContact O-OG 3.49Å; L458-L465 HydrophobicContact CD1-CD1 4.29Å; L458-A466 HydrophobicContact CB-CB 4.46Å; L458-A466 WeakPolarHBondContact O-CB 3.44Å; L458-V474 HydrophobicContact CD1-CG1 4.06Å; L458-L475 HydrophobicContact CD1-CD1 4.36Å; L458-L475 HydrophobicContact CD1-CD2 3.65Å; L458-L475 HydrophobicContact CD1-CG 3.79Å
459	I	97.5	Very high	97.4	Very high	38 Å²	38	46 Å²	46	20%	0.195	24%	0.241	C	C	.	.	H	α-helix	trans	-68.2	-52.4	176.1	-65.6	163	0	0	0	110.3	N455 Q456 F457 T461 N462 A466 D471 V474	N455-I459 WeakPolarHBondContact O-CD1 3.37Å; N455-I459 VanDerWaalsContact O-CG1 3.27Å; N455-I459 WeakPolarHBondContact O-CG1 3.31Å; N455-I459 PolarHBondContact O-N 3.22Å; Q456-I459 PolarHBondContact O-N 3.27Å; F457-I459 VanDerWaalsContact C-N 3.33Å; F457-I459 PolarHBondContact O-N 3.5Å; I459-T461 PolarHBondContact O-N 2.92Å; I459-N462 PolarHBondContact O-N 3.2Å; I459-A466 HydrophobicContact CG1-CB 4.15Å; I459-D471 HydrophobicContact CD1-CB 3.9Å; I459-D471 HydrophobicContact CG1-CB 3.92Å; I459-D471 HydrophobicContact CG2-CB 4.4Å; I459-V474 HydrophobicContact CG1-CG2 4.43Å
460	N	96.9	Very high	97.3	Very high	84 Å²	84	50.9 Å²	50.9	45%	0.449	27%	0.267	S	S	.	.	H	α-helix	trans	-59.7	-26	-178.5	-71.5	-11.4	0	0	0	112.9	Q456 F457 M598	Q456-N460 PolarHBondContact NE2-OD1 3.04Å; Q456-N460 WeakPolarHBondContact O-CB 3.49Å; Q456-N460 PolarHBondContact O-N 3.07Å; Q456-N460 PolarHBondContact O-ND2 3.39Å; F457-N460 PolarHBondContact O-N 3.15Å; N460-M598 HydrophobicContact CB-CE 3.55Å
461	T	96.9	Very high	97.3	Very high	36 Å²	36	54.5 Å²	54.5	22%	0.221	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	4.2	-178.5	61.7	0	0	0	0	113.3	F457 L458 I459 S463 R596 M598	F457-T461 HydrophobicContact CD1-CG2 4.3Å; F457-T461 HydrophobicContact CD2-CG2 4.44Å; F457-T461 HydrophobicContact CE1-CG2 4.09Å; F457-T461 HydrophobicContact CE2-CG2 4.23Å; F457-T461 HydrophobicContact CG-CG2 4.49Å; F457-T461 HydrophobicContact CZ-CG2 4.07Å; F457-T461 WeakPolarHBondContact O-CB 3.4Å; F457-T461 WeakPolarHBondContact O-CG2 3.41Å; F457-T461 PolarHBondContact O-N 3.41Å; F457-T461 PolarHBondContact O-OG1 2.89Å; L458-T461 PolarHBondContact O-OG1 3.29Å; I459-T461 PolarHBondContact O-N 2.92Å; T461-S463 PolarHBondContact O-N 3.45Å; T461-R596 VanDerWaalsContact CB-NH1 3.27Å; T461-M598 HydrophobicContact CG2-CE 3.89Å; T461-M598 HydrophobicContact CG2-SD 3.54Å; T461-M598 VanDerWaalsContact CG2-SD 3.54Å
462	N	96.3	Very high	97.2	Very high	120 Å²	120	58.3 Å²	58.3	64%	0.642	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	41.8	-178.2	-56.5	-84.4	0	0	0	112.2	L458 I459	L458-N462 PolarHBondContact O-N 2.8Å; I459-N462 PolarHBondContact O-N 3.2Å
463	S	96.6	Very high	97.1	Very high	23 Å²	23	59 Å²	59	16%	0.161	31%	0.307	C	S	.	.			trans	-60.3	155.4	-179.4	68.5	0	0	0	0	111.7	L458 T461 L465 A466 L467	L458-S463 WeakPolarHBondContact CB-OG 3.44Å; L458-S463 WeakPolarHBondContact O-CB 3.48Å; L458-S463 PolarHBondContact O-N 3.06Å; L458-S463 PolarHBondContact O-OG 3.49Å; T461-S463 PolarHBondContact O-N 3.45Å; S463-L465 PolarHBondContact O-N 3.46Å; S463-A466 PolarHBondContact O-N 2.82Å; S463-A466 WeakPolarHBondContact OG-CB 3.47Å; S463-A466 PolarHBondContact OG-N 2.85Å; S463-A466 VanDerWaalsContact OG-N 3.15Å; S463-L467 WeakPolarHBondContact O-CG 3.36Å; S463-L467 PolarHBondContact O-N 2.94Å
464	E	96.9	Very high	97.1	Very high	132 Å²	132	58.7 Å²	58.7	62%	0.617	31%	0.305	S	S	*	.	H	α-helix	trans	-57.8	-34.1	175.6	-67.5	-168.8	174.3	0	0	112	M468	E464-M468 VanDerWaalsContact O-CB 3.24Å; E464-M468 WeakPolarHBondContact O-CB 3.35Å; E464-M468 PolarHBondContact O-N 3.45Å
465	L	96.5	Very high	97.1	Very high	28 Å²	28	56.9 Å²	56.9	15%	0.147	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-49	176.3	-66.4	179.6	0	0	0	111.4	L458 S463 L467 M468 Y469 V474 H478	L458-L465 HydrophobicContact CD1-CD1 4.29Å; S463-L465 PolarHBondContact O-N 3.46Å; L465-L467 VanDerWaalsContact C-N 3.31Å; L465-L467 PolarHBondContact O-N 2.66Å; L465-M468 PolarHBondContact O-N 2.87Å; L465-M468 VanDerWaalsContact O-N 3.11Å; L465-Y469 HydrophobicContact CD2-CE2 4.18Å; L465-Y469 VanDerWaalsContact O-CD2 3.28Å; L465-Y469 WeakPolarHBondContact O-CD2 3.48Å; L465-Y469 PolarHBondContact O-N 3.04Å; L465-V474 VanDerWaalsContact C-CG1 3.47Å; L465-V474 HydrophobicContact CB-CG1 3.68Å; L465-H478 HydrophobicContact CD2-CB 4.4Å; L465-H478 WeakPolarHBondContact CD2-ND1 3.4Å
466	A	96.7	Very high	97.2	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-59.5	-43.4	178.7	0	0	0	0	0	111.6	L458 I459 S463 M468 Y469 N470 D471 V474	L458-A466 HydrophobicContact CB-CB 4.46Å; L458-A466 WeakPolarHBondContact O-CB 3.44Å; I459-A466 HydrophobicContact CG1-CB 4.15Å; S463-A466 PolarHBondContact O-N 2.82Å; S463-A466 WeakPolarHBondContact OG-CB 3.47Å; S463-A466 PolarHBondContact OG-N 2.85Å; S463-A466 VanDerWaalsContact OG-N 3.15Å; A466-M468 PolarHBondContact O-N 2.92Å; A466-Y469 PolarHBondContact O-N 3.21Å; A466-N470 WeakPolarHBondContact O-CA 3.18Å; A466-N470 PolarHBondContact O-N 3.42Å; A466-D471 PolarHBondContact O-N 3.27Å; A466-D471 VanDerWaalsContact O-N 3.16Å; A466-V474 HydrophobicContact CB-CG1 4.46Å; A466-V474 HydrophobicContact CB-CG2 4.42Å
467	L	96.5	Very high	97.2	Very high	117 Å²	117	53.8 Å²	53.8	61%	0.613	28%	0.278	S	S	*	.	H	α-helix	trans	-63.4	-38.6	174.4	-68.7	171.8	0	0	0	113	S463 L465	S463-L467 WeakPolarHBondContact O-CG 3.36Å; S463-L467 PolarHBondContact O-N 2.94Å; L465-L467 VanDerWaalsContact C-N 3.31Å; L465-L467 PolarHBondContact O-N 2.66Å
468	M	96.4	Very high	97.3	Very high	81 Å²	81	53.7 Å²	53.7	40%	0.399	28%	0.277	S	S	.	.	H	α-helix	trans	-68.3	-40.7	180	-173.5	178.9	-52.3	0	0	112	E464 L465 A466	E464-M468 VanDerWaalsContact O-CB 3.24Å; E464-M468 WeakPolarHBondContact O-CB 3.35Å; E464-M468 PolarHBondContact O-N 3.45Å; L465-M468 PolarHBondContact O-N 2.87Å; L465-M468 VanDerWaalsContact O-N 3.11Å; A466-M468 PolarHBondContact O-N 2.92Å
469	Y	97.4	Very high	97.3	Very high	38 Å²	38	53.1 Å²	53.1	15%	0.149	28%	0.275	C	S	.	.	H	α-helix	trans	-98.8	2.4	-175.1	-63.8	-64.3	0	0	0	114.2	L465 A466 D471 V474 N477 H478 A481	L465-Y469 HydrophobicContact CD2-CE2 4.18Å; L465-Y469 VanDerWaalsContact O-CD2 3.28Å; L465-Y469 WeakPolarHBondContact O-CD2 3.48Å; L465-Y469 PolarHBondContact O-N 3.04Å; A466-Y469 PolarHBondContact O-N 3.21Å; Y469-D471 VanDerWaalsContact C-N 3.34Å; Y469-D471 PolarHBondContact O-N 3.4Å; Y469-V474 HydrophobicContact CD2-CG1 4.16Å; Y469-V474 VanDerWaalsContact CD2-O 3.32Å; Y469-V474 WeakPolarHBondContact CD2-O 3.34Å; Y469-N477 HydrophobicContact CD1-CB 3.39Å; Y469-N477 HydrophobicContact CD2-CB 4.43Å; Y469-N477 HydrophobicContact CE1-CB 3.5Å; Y469-N477 VanDerWaalsContact CE1-CB 3.5Å; Y469-N477 HydrophobicContact CG-CB 3.89Å; Y469-H478 HydrophobicContact CE2-CB 3.72Å; Y469-H478 WeakPolarHBondContact OH-CA 3.47Å; Y469-A481 VanDerWaalsContact OH-CB 3.32Å; Y469-A481 WeakPolarHBondContact OH-CB 3.48Å
470	N	97.3	Very high	97.4	Very high	125 Å²	125	51.9 Å²	51.9	67%	0.668	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	44.7	175.7	-46.3	-87.4	0	0	0	112.4	A466 E472	A466-N470 WeakPolarHBondContact O-CA 3.18Å; A466-N470 PolarHBondContact O-N 3.42Å; N470-E472 PolarHBondContact O-N 2.87Å
471	D	97.6	Very high	97.4	Very high	86 Å²	86	49.2 Å²	49.2	46%	0.46	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	7.5	175.2	-52.3	-25.3	0	0	0	116.2	I459 A466 Y469	I459-D471 HydrophobicContact CD1-CB 3.9Å; I459-D471 HydrophobicContact CG1-CB 3.92Å; I459-D471 HydrophobicContact CG2-CB 4.4Å; A466-D471 PolarHBondContact O-N 3.27Å; A466-D471 VanDerWaalsContact O-N 3.16Å; Y469-D471 VanDerWaalsContact C-N 3.34Å; Y469-D471 PolarHBondContact O-N 3.4Å
472	E	95.6	Very high	97.5	Very high	115 Å²	115	47.5 Å²	47.5	54%	0.537	25%	0.248	S	C	.	.	S	Bend	trans	-109.2	115.4	-179.9	-74.6	-79.6	167.3	0	0	111	N470 V474 N477 K521	N470-E472 PolarHBondContact O-N 2.87Å; E472-V474 VanDerWaalsContact C-N 3.3Å; E472-V474 PolarHBondContact O-N 3.19Å; E472-N477 PolarHBondContact O-ND2 3.41Å; E472-N477 VanDerWaalsContact O-ND2 3.15Å; E472-K521 IonicContact OE2-NZ 3.47Å
473	S	97	Very high	97.6	Very high	15 Å²	15	41.8 Å²	41.8	11%	0.105	22%	0.217	C	C	.	.	S	Bend	trans	44.3	54.7	-179.7	-51.4	0	0	0	0	111.8	E476 N477 D518	S473-E476 WeakPolarHBondContact CA-OE2 3.45Å; S473-E476 WeakPolarHBondContact CB-OE2 3.46Å; S473-E476 PolarHBondContact O-N 2.81Å; S473-N477 WeakPolarHBondContact O-CB 3.23Å; S473-N477 PolarHBondContact O-N 3.1Å; S473-N477 PolarHBondContact O-ND2 3.32Å; S473-D518 WeakPolarHBondContact CB-OD2 3.16Å; S473-D518 PolarHBondContact OG-OD2 3.45Å
474	V	98.3	Very high	97.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-50.6	-166.3	174	0	0	0	0	111	N455 L458 I459 L465 A466 Y469 E472 H478	N455-V474 WeakPolarHBondContact OD1-CB 3.11Å; N455-V474 PolarHBondContact OD1-N 2.97Å; L458-V474 HydrophobicContact CD1-CG1 4.06Å; I459-V474 HydrophobicContact CG1-CG2 4.43Å; L465-V474 VanDerWaalsContact C-CG1 3.47Å; L465-V474 HydrophobicContact CB-CG1 3.68Å; A466-V474 HydrophobicContact CB-CG1 4.46Å; A466-V474 HydrophobicContact CB-CG2 4.42Å; Y469-V474 HydrophobicContact CD2-CG1 4.16Å; Y469-V474 VanDerWaalsContact CD2-O 3.32Å; Y469-V474 WeakPolarHBondContact CD2-O 3.34Å; E472-V474 VanDerWaalsContact C-N 3.3Å; E472-V474 PolarHBondContact O-N 3.19Å; V474-H478 WeakPolarHBondContact O-CB 3.32Å; V474-H478 PolarHBondContact O-N 3.4Å
475	L	98.6	Very high	97.7	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-67.3	-47.4	179.3	-76	169.1	0	0	0	111.4	P451 V453 N455 L458 N477 H478 H479	P451-L475 VanDerWaalsContact CD-CD2 3.41Å; P451-L475 HydrophobicContact CG-CD2 3.91Å; V453-L475 WeakPolarHBondContact O-CD1 3.46Å; N455-L475 VanDerWaalsContact OD1-CB 3.27Å; N455-L475 WeakPolarHBondContact OD1-CB 3.48Å; N455-L475 WeakPolarHBondContact OD1-CD1 3.34Å; N455-L475 WeakPolarHBondContact OD1-CG 3.25Å; N455-L475 PolarHBondContact OD1-N 3.1Å; L458-L475 HydrophobicContact CD1-CD1 4.36Å; L458-L475 HydrophobicContact CD1-CD2 3.65Å; L458-L475 HydrophobicContact CD1-CG 3.79Å; L475-N477 VanDerWaalsContact C-N 3.33Å; L475-N477 PolarHBondContact O-N 3.08Å; L475-H478 CarbonylContact O-C 3.55Å; L475-H478 WeakPolarHBondContact O-CA 3.37Å; L475-H478 VanDerWaalsContact O-CB 3.25Å; L475-H478 WeakPolarHBondContact O-CB 3.28Å; L475-H478 PolarHBondContact O-N 3.19Å; L475-H479 WeakPolarHBondContact CB-NE2 3.21Å; L475-H479 PolarHBondContact O-CD2 3.3Å; L475-H479 PolarHBondContact O-N 2.96Å; L475-H479 PolarHBondContact O-ND1 3.5Å; L475-H479 PolarHBondContact O-NE2 2.87Å
476	E	98.7	Very high	97.8	Very high	17 Å²	17	37.3 Å²	37.3	8%	0.079	19%	0.192	C	C	.	.	H	α-helix	trans	-65.5	-37.2	-174.8	-57	77.5	-165.3	0	0	111.8	N455 S473 H478 L480 L515 D518	N455-E476 PolarHBondContact ND2-OE1 2.78Å; N455-E476 VanDerWaalsContact ND2-OE1 3.1Å; N455-E476 PolarHBondContact ND2-OE2 2.73Å; S473-E476 WeakPolarHBondContact CA-OE2 3.45Å; S473-E476 WeakPolarHBondContact CB-OE2 3.46Å; S473-E476 PolarHBondContact O-N 2.81Å; E476-H478 VanDerWaalsContact C-N 3.34Å; E476-L480 WeakPolarHBondContact O-CG 3.44Å; E476-L480 PolarHBondContact O-N 3.24Å; E476-L515 HydrophobicContact CB-CD2 4.08Å; E476-D518 HydrophobicContact CG-CB 3.83Å
477	N	98.5	Very high	97.9	Very high	53 Å²	53	37.9 Å²	37.9	28%	0.283	19%	0.194	S	C	.	.	H	α-helix	trans	-65.5	-37.2	170.1	-81.6	-71.9	0	0	0	112.5	Y469 E472 S473 L475 A481	Y469-N477 HydrophobicContact CD1-CB 3.39Å; Y469-N477 HydrophobicContact CD2-CB 4.43Å; Y469-N477 HydrophobicContact CE1-CB 3.5Å; Y469-N477 VanDerWaalsContact CE1-CB 3.5Å; Y469-N477 HydrophobicContact CG-CB 3.89Å; E472-N477 PolarHBondContact O-ND2 3.41Å; E472-N477 VanDerWaalsContact O-ND2 3.15Å; S473-N477 WeakPolarHBondContact O-CB 3.23Å; S473-N477 PolarHBondContact O-N 3.1Å; S473-N477 PolarHBondContact O-ND2 3.32Å; L475-N477 VanDerWaalsContact C-N 3.33Å; L475-N477 PolarHBondContact O-N 3.08Å; N477-A481 WeakPolarHBondContact O-CB 3.36Å; N477-A481 PolarHBondContact O-N 2.95Å
478	H	98.5	Very high	97.9	Very high	3 Å²	3	39 Å²	39	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-66.3	-47.2	177	-174.4	57.6	0	0	0	111.8	D449 L465 Y469 V474 L475 E476 L480 A481 V482	D449-H478 IonicContact OD2-CD2 3.18Å; D449-H478 IonicContact OD2-CE1 2.89Å; D449-H478 PolarHBondContact OD2-CE1 3.08Å; D449-H478 IonicContact OD2-NE2 3.32Å; D449-H478 PolarHBondContact OD2-NE2 3.32Å; L465-H478 HydrophobicContact CD2-CB 4.4Å; L465-H478 WeakPolarHBondContact CD2-ND1 3.4Å; Y469-H478 HydrophobicContact CE2-CB 3.72Å; Y469-H478 WeakPolarHBondContact OH-CA 3.47Å; V474-H478 WeakPolarHBondContact O-CB 3.32Å; V474-H478 PolarHBondContact O-N 3.4Å; L475-H478 CarbonylContact O-C 3.55Å; L475-H478 WeakPolarHBondContact O-CA 3.37Å; L475-H478 VanDerWaalsContact O-CB 3.25Å; L475-H478 WeakPolarHBondContact O-CB 3.28Å; L475-H478 PolarHBondContact O-N 3.19Å; E476-H478 VanDerWaalsContact C-N 3.34Å; H478-L480 VanDerWaalsContact C-N 3.31Å; H478-L480 PolarHBondContact O-N 3.32Å; H478-A481 WeakPolarHBondContact O-CB 3.33Å; H478-A481 PolarHBondContact O-N 2.94Å; H478-V482 VanDerWaalsContact CE1-CG2 3.47Å; H478-V482 WeakPolarHBondContact CE1-CG2 3.44Å; H478-V482 WeakPolarHBondContact O-CG2 3.46Å; H478-V482 PolarHBondContact O-N 3.3Å
479	H	98.7	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-54.9	-46.9	176.5	-56.1	-34.9	0	0	0	111.3	H446 D447 V448 H450 L475 G483 V514	H446-H479 WeakPolarHBondContact O-CB 3.36Å; H446-H479 PolarHBondContact O-CD2 2.71Å; D447-H479 IonicContact OD1-CD2 3.43Å; D447-H479 IonicContact OD1-NE2 3.99Å; V448-H479 HydrophobicContact CG1-CB 4.31Å; V448-H479 WeakPolarHBondContact CG1-O 3.24Å; V448-H479 PolarHBondContact O-ND1 3.09Å; H450-H479 AromaticContact CD2-CE1 3.85Å; H450-H479 AromaticContact CD2-NE2 3.7Å; L475-H479 WeakPolarHBondContact CB-NE2 3.21Å; L475-H479 PolarHBondContact O-CD2 3.3Å; L475-H479 PolarHBondContact O-N 2.96Å; L475-H479 PolarHBondContact O-ND1 3.5Å; L475-H479 PolarHBondContact O-NE2 2.87Å; H479-G483 PolarHBondContact O-N 3.36Å; H479-V514 HydrophobicContact CB-CG1 4.33Å
480	L	98.8	Very high	97.6	Very high	11 Å²	11	43.7 Å²	43.7	6%	0.058	22%	0.219	C	C	.	.	H	α-helix	trans	-60.3	-46.9	172.7	-78.5	166.4	0	0	0	112.8	I445 E476 H478 F484 V510 I511 V514 L515	I445-L480 HydrophobicContact CD1-CD2 4.33Å; E476-L480 WeakPolarHBondContact O-CG 3.44Å; E476-L480 PolarHBondContact O-N 3.24Å; H478-L480 VanDerWaalsContact C-N 3.31Å; H478-L480 PolarHBondContact O-N 3.32Å; L480-F484 HydrophobicContact CD2-CD2 4.3Å; L480-F484 HydrophobicContact CD2-CE2 3.91Å; L480-F484 WeakPolarHBondContact O-CB 3.41Å; L480-F484 VanDerWaalsContact O-CD2 3.31Å; L480-F484 WeakPolarHBondContact O-CD2 3.47Å; L480-F484 PolarHBondContact O-N 3.14Å; L480-V510 HydrophobicContact CD2-CG1 3.94Å; L480-I511 HydrophobicContact CD1-CB 4.29Å; L480-I511 HydrophobicContact CD1-CG1 4.2Å; L480-I511 HydrophobicContact CD1-CG2 4.15Å; L480-I511 HydrophobicContact CD2-CB 4.48Å; L480-I511 HydrophobicContact CD2-CG1 3.99Å; L480-V514 HydrophobicContact CD1-CB 4.03Å; L480-V514 HydrophobicContact CD1-CG1 4.26Å; L480-V514 HydrophobicContact CD2-CB 3.75Å; L480-V514 HydrophobicContact CD2-CG1 4.28Å; L480-V514 HydrophobicContact CD2-CG2 3.83Å; L480-V514 HydrophobicContact CG-CB 3.71Å; L480-V514 HydrophobicContact CG-CG1 3.78Å; L480-V514 HydrophobicContact CG-CG2 4.27Å; L480-L515 HydrophobicContact CD1-CD2 3.9Å; L480-L515 HydrophobicContact CD1-CG 3.79Å
481	A	98.4	Very high	97.5	Very high	29 Å²	29	44.1 Å²	44.1	24%	0.24	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-46	-178	0	0	0	0	0	111.3	I308 Y469 N477 H478 K485	I308-A481 HydrophobicContact CD1-CB 3.82Å; Y469-A481 VanDerWaalsContact OH-CB 3.32Å; Y469-A481 WeakPolarHBondContact OH-CB 3.48Å; N477-A481 WeakPolarHBondContact O-CB 3.36Å; N477-A481 PolarHBondContact O-N 2.95Å; H478-A481 WeakPolarHBondContact O-CB 3.33Å; H478-A481 PolarHBondContact O-N 2.94Å; A481-K485 WeakPolarHBondContact O-CB 3.37Å; A481-K485 PolarHBondContact O-N 3.18Å
482	V	98.3	Very high	97.5	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-55.5	176.5	174.9	0	0	0	0	110.5	V311 V448 D449 H478 F484 K485 L486	V311-V482 HydrophobicContact CG2-CG2 4.1Å; V448-V482 HydrophobicContact CG1-CB 3.94Å; V448-V482 HydrophobicContact CG1-CG1 3.93Å; V448-V482 HydrophobicContact CG2-CG1 3.87Å; D449-V482 HydrophobicContact CB-CG1 4.33Å; D449-V482 HydrophobicContact CB-CG2 4.16Å; H478-V482 VanDerWaalsContact CE1-CG2 3.47Å; H478-V482 WeakPolarHBondContact CE1-CG2 3.44Å; H478-V482 WeakPolarHBondContact O-CG2 3.46Å; H478-V482 PolarHBondContact O-N 3.3Å; V482-F484 VanDerWaalsContact C-N 3.34Å; V482-F484 PolarHBondContact O-N 3.5Å; V482-K485 WeakPolarHBondContact O-CA 3.38Å; V482-K485 WeakPolarHBondContact O-CB 3.28Å; V482-K485 PolarHBondContact O-N 3.46Å; V482-L486 HydrophobicContact CG1-CD1 4.27Å; V482-L486 HydrophobicContact CG1-CG 4.29Å; V482-L486 WeakPolarHBondContact O-CG 3.17Å; V482-L486 PolarHBondContact O-N 3.35Å
483	G	98.2	Very high	97.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-54.4	-45.8	-177.8	0	0	0	0	0	113.1	Y391 H479	Y391-G483 PolarHBondContact OH-O 2.67Å; Y391-G483 VanDerWaalsContact OH-O 3.08Å; H479-G483 PolarHBondContact O-N 3.36Å
484	F	98.5	Very high	97.7	Very high	23 Å²	23	35.9 Å²	35.9	10%	0.101	18%	0.175	C	C	.	.	H	α-helix	trans	-73.3	-26.3	175.2	-80	-75.5	0	0	0	114	F441 L480 V482 L487 R507 V510 I511	F441-F484 HydrophobicContact CE1-CE1 4.38Å; F441-F484 HydrophobicContact CE1-CZ 4.24Å; L480-F484 HydrophobicContact CD2-CD2 4.3Å; L480-F484 HydrophobicContact CD2-CE2 3.91Å; L480-F484 WeakPolarHBondContact O-CB 3.41Å; L480-F484 VanDerWaalsContact O-CD2 3.31Å; L480-F484 WeakPolarHBondContact O-CD2 3.47Å; L480-F484 PolarHBondContact O-N 3.14Å; V482-F484 VanDerWaalsContact C-N 3.34Å; V482-F484 PolarHBondContact O-N 3.5Å; F484-L487 HydrophobicContact CD1-CD1 3.72Å; F484-L487 HydrophobicContact CE1-CD1 4.36Å; F484-R507 VanDerWaalsContact CD1-NH1 3.32Å; F484-R507 VanDerWaalsContact CD2-NH1 3.32Å; F484-R507 HydrophobicContact CE1-CB 4.13Å; F484-R507 HydrophobicContact CE1-CG 3.98Å; F484-R507 HydrophobicContact CE2-CG 4.29Å; F484-R507 HydrophobicContact CZ-CB 4.08Å; F484-R507 HydrophobicContact CZ-CG 3.8Å; F484-V510 HydrophobicContact CE2-CB 4.21Å; F484-V510 HydrophobicContact CE2-CG1 3.7Å; F484-V510 HydrophobicContact CZ-CB 3.92Å; F484-V510 HydrophobicContact CZ-CG1 3.79Å; F484-V510 HydrophobicContact CZ-CG2 4.46Å; F484-I511 HydrophobicContact CE2-CG1 4.4Å
485	K	98.1	Very high	97.7	Very high	65 Å²	65	36 Å²	36	28%	0.283	18%	0.175	S	C	.	.	H	α-helix	trans	-69	-38.8	176	175.9	61.8	-173.1	177.7	0	111.2	I308 A481 V482 L487 Q488	I308-K485 HydrophobicContact CD1-CB 4.24Å; I308-K485 HydrophobicContact CD1-CG 4.41Å; A481-K485 WeakPolarHBondContact O-CB 3.37Å; A481-K485 PolarHBondContact O-N 3.18Å; V482-K485 WeakPolarHBondContact O-CA 3.38Å; V482-K485 WeakPolarHBondContact O-CB 3.28Å; V482-K485 PolarHBondContact O-N 3.46Å; K485-L487 PolarHBondContact O-N 3.01Å; K485-Q488 VanDerWaalsContact O-CB 3.31Å; K485-Q488 WeakPolarHBondContact O-CB 3.42Å; K485-Q488 PolarHBondContact O-N 3.49Å
486	L	98	Very high	97.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-27.9	-180	-64.8	-176.6	0	0	0	113.1	V311 Y391 T394 L395 H398 V482 Q488 E489 C492	V311-L486 HydrophobicContact CG1-CD2 4.22Å; Y391-L486 HydrophobicContact CD2-CB 4.48Å; Y391-L486 HydrophobicContact CE2-CB 3.88Å; T394-L486 HydrophobicContact CG2-CD1 4.44Å; T394-L486 HydrophobicContact CG2-CD2 4.05Å; L395-L486 HydrophobicContact CB-CD1 4.33Å; L395-L486 HydrophobicContact CD1-CD1 4.03Å; H398-L486 HydrophobicContact CB-CD1 4.34Å; H398-L486 VanDerWaalsContact CE1-CD2 3.49Å; H398-L486 WeakPolarHBondContact CE1-CD2 3.38Å; V482-L486 HydrophobicContact CG1-CD1 4.27Å; V482-L486 HydrophobicContact CG1-CG 4.29Å; V482-L486 WeakPolarHBondContact O-CG 3.17Å; V482-L486 PolarHBondContact O-N 3.35Å; L486-Q488 PolarHBondContact O-N 2.91Å; L486-E489 WeakPolarHBondContact O-CB 3.31Å; L486-E489 PolarHBondContact O-N 3.34Å; L486-C492 VanDerWaalsContact O-CB 3.22Å; L486-C492 WeakPolarHBondContact O-CB 3.46Å
487	L	97.7	Very high	97.6	Very high	13 Å²	13	44.9 Å²	44.9	7%	0.068	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.4	172.3	-62.8	167.6	0	0	0	113.5	Y391 F484 K485 D493 I494 F495	Y391-L487 HydrophobicContact CD2-CD2 3.71Å; Y391-L487 HydrophobicContact CD2-CG 4.37Å; Y391-L487 HydrophobicContact CE2-CD2 3.42Å; Y391-L487 VanDerWaalsContact CE2-CD2 3.42Å; Y391-L487 HydrophobicContact CE2-CG 3.74Å; F484-L487 HydrophobicContact CD1-CD1 3.72Å; F484-L487 HydrophobicContact CE1-CD1 4.36Å; K485-L487 PolarHBondContact O-N 3.01Å; L487-D493 WeakPolarHBondContact O-CA 3.46Å; L487-D493 WeakPolarHBondContact O-CB 3.18Å; L487-D493 PolarHBondContact O-N 3.06Å; L487-I494 HydrophobicContact CD2-CG1 3.67Å; L487-F495 HydrophobicContact CD1-CD2 3.65Å; L487-F495 HydrophobicContact CD1-CE2 3.83Å; L487-F495 HydrophobicContact CD2-CD2 3.99Å; L487-F495 HydrophobicContact CD2-CE2 4.1Å
488	Q	96.9	Very high	97.5	Very high	140 Å²	140	43 Å²	43	65%	0.654	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-7.1	178.6	-57.2	178.4	11	0	0	113.5	K485 L486	K485-Q488 VanDerWaalsContact O-CB 3.31Å; K485-Q488 WeakPolarHBondContact O-CB 3.42Å; K485-Q488 PolarHBondContact O-N 3.49Å; L486-Q488 PolarHBondContact O-N 2.91Å
489	E	94.3	Very high	97.5	Very high	64 Å²	64	46.6 Å²	46.6	30%	0.299	23%	0.234	S	C	.	.	S	Bend	trans	-67.8	165.1	172.3	-70.7	-64.5	161.2	0	0	111.2	L486 H491 C492	L486-E489 WeakPolarHBondContact O-CB 3.31Å; L486-E489 PolarHBondContact O-N 3.34Å; E489-H491 PolarHBondContact O-N 3.43Å; E489-C492 HydrophobicContact CB-CB 4Å; E489-C492 PolarHBondContact O-N 2.87Å
490	E	94.6	Very high	97.4	Very high	153 Å²	153	52.1 Å²	52.1	72%	0.715	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	126.2	-177.7	-172.3	169.1	-166.9	0	0	110.9	C492	E490-C492 PolarHBondContact O-N 3.02Å
491	H	94.9	Very high	97.3	Very high	134 Å²	134	59 Å²	59	62%	0.62	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	26.5	-177.6	-59.6	-65	0	0	0	115.6	T387 E489	T387-H491 VanDerWaalsContact CA-O 3.31Å; T387-H491 WeakPolarHBondContact CA-O 3.49Å; T387-H491 VanDerWaalsContact CG2-O 3.27Å; T387-H491 WeakPolarHBondContact CG2-O 3.22Å; E489-H491 PolarHBondContact O-N 3.43Å
492	C	97.1	Very high	97.3	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.007	29%	0.291	C	S	.	.			trans	-107.5	-9.6	-178.5	-75.5	0	0	0	0	115.9	Y391 L486 E489 E490 I494	Y391-C492 HydrophobicContact CD2-CB 4.11Å; Y391-C492 VanDerWaalsContact CD2-O 3.3Å; Y391-C492 WeakPolarHBondContact CD2-O 3.48Å; L486-C492 VanDerWaalsContact O-CB 3.22Å; L486-C492 WeakPolarHBondContact O-CB 3.46Å; E489-C492 HydrophobicContact CB-CB 4Å; E489-C492 PolarHBondContact O-N 2.87Å; E490-C492 PolarHBondContact O-N 3.02Å; C492-I494 VanDerWaalsContact C-N 3.34Å; C492-I494 PolarHBondContact O-N 2.98Å
493	D	97.8	Very high	97.3	Very high	37 Å²	37	65.5 Å²	65.5	20%	0.198	31%	0.308	C	S	.	.			trans	-75	82.9	-178.4	-167.6	1.4	0	0	0	111.6	L487 F495 M496 R503	L487-D493 WeakPolarHBondContact O-CA 3.46Å; L487-D493 WeakPolarHBondContact O-CB 3.18Å; L487-D493 PolarHBondContact O-N 3.06Å; D493-F495 PolarHBondContact O-N 3.02Å; D493-F495 VanDerWaalsContact O-N 3.12Å; D493-F495 WeakPolarHBondContact OD1-CA 3.4Å; D493-F495 PolarHBondContact OD1-N 2.82Å; D493-F495 VanDerWaalsContact OD1-N 3.1Å; D493-M496 HydrophobicContact CB-CB 4.07Å; D493-M496 VanDerWaalsContact O-CB 3.24Å; D493-M496 WeakPolarHBondContact O-CB 3.5Å; D493-M496 PolarHBondContact O-N 3.24Å; D493-M496 VanDerWaalsContact O-N 3.12Å; D493-M496 PolarHBondContact OD1-N 3.18Å; D493-R503 IonicContact OD1-CZ 3.5Å; D493-R503 IonicContact OD1-NH2 3.3Å; D493-R503 PolarHBondContact OD1-NH2 3.1Å; D493-R503 IonicContact OD2-CZ 3.81Å; D493-R503 IonicContact OD2-NH1 3.41Å; D493-R503 PolarHBondContact OD2-NH1 3.24Å; D493-R503 IonicContact OD2-NH2 3.44Å; D493-R503 PolarHBondContact OD2-NH2 3.1Å; D493-R503 VanDerWaalsContact OD2-NH2 3.11Å
494	I	98.3	Very high	97.2	Very high	5 Å²	5	67.6 Å²	67.6	3%	0.026	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.1	174.9	60.9	166.4	0	0	0	112.9	I383 T387 F388 Y391 F441 L487 C492	I383-I494 HydrophobicContact CD1-CB 4.43Å; I383-I494 WeakPolarHBondContact CD1-O 3.42Å; I383-I494 WeakPolarHBondContact CG1-O 3.1Å; I383-I494 HydrophobicContact CG2-CB 3.9Å; I383-I494 HydrophobicContact CG2-CG2 4.01Å; T387-I494 HydrophobicContact CG2-CG2 4.11Å; F388-I494 HydrophobicContact CB-CG2 4.5Å; F388-I494 HydrophobicContact CD2-CG2 4.34Å; Y391-I494 HydrophobicContact CD1-CD1 4.04Å; Y391-I494 HydrophobicContact CD1-CG2 4.35Å; Y391-I494 HydrophobicContact CE1-CD1 4.2Å; Y391-I494 HydrophobicContact CG-CG2 4.05Å; F441-I494 HydrophobicContact CD2-CD1 3.98Å; F441-I494 HydrophobicContact CE2-CD1 3.87Å; L487-I494 HydrophobicContact CD2-CG1 3.67Å; C492-I494 VanDerWaalsContact C-N 3.34Å; C492-I494 PolarHBondContact O-N 2.98Å
495	F	98.2	Very high	97.2	Very high	3 Å²	3	68.9 Å²	68.9	1%	0.013	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	9.8	178.4	-54.1	-42.8	0	0	0	113.2	L437 F441 L487 D493 N497 L498 L506	L437-F495 HydrophobicContact CD1-CE1 4.21Å; L437-F495 HydrophobicContact CD2-CD1 4.28Å; L437-F495 HydrophobicContact CD2-CE1 3.93Å; L437-F495 HydrophobicContact CG-CE1 4.22Å; F441-F495 HydrophobicContact CB-CZ 4.43Å; F441-F495 HydrophobicContact CD1-CE2 4.23Å; F441-F495 AromaticContact CD1-CZ 3.95Å; F441-F495 HydrophobicContact CD1-CZ 3.95Å; F441-F495 HydrophobicContact CD2-CE2 4.24Å; F441-F495 AromaticContact CD2-CZ 3.6Å; F441-F495 HydrophobicContact CD2-CZ 3.6Å; F441-F495 AromaticContact CE1-CE2 3.86Å; F441-F495 HydrophobicContact CE1-CE2 3.86Å; F441-F495 HydrophobicContact CE1-CZ 4.02Å; F441-F495 AromaticContact CE2-CE2 3.85Å; F441-F495 HydrophobicContact CE2-CE2 3.85Å; F441-F495 AromaticContact CE2-CZ 3.65Å; F441-F495 HydrophobicContact CE2-CZ 3.65Å; F441-F495 HydrophobicContact CG-CE2 4.4Å; F441-F495 AromaticContact CG-CZ 3.73Å; F441-F495 HydrophobicContact CG-CZ 3.73Å; F441-F495 AromaticContact CZ-CE2 3.65Å; F441-F495 HydrophobicContact CZ-CE2 3.65Å; F441-F495 AromaticContact CZ-CZ 3.87Å; F441-F495 HydrophobicContact CZ-CZ 3.87Å; L487-F495 HydrophobicContact CD1-CD2 3.65Å; L487-F495 HydrophobicContact CD1-CE2 3.83Å; L487-F495 HydrophobicContact CD2-CD2 3.99Å; L487-F495 HydrophobicContact CD2-CE2 4.1Å; D493-F495 PolarHBondContact O-N 3.02Å; D493-F495 VanDerWaalsContact O-N 3.12Å; D493-F495 WeakPolarHBondContact OD1-CA 3.4Å; D493-F495 PolarHBondContact OD1-N 2.82Å; D493-F495 VanDerWaalsContact OD1-N 3.1Å; F495-N497 PolarHBondContact O-N 3.1Å; F495-L498 HydrophobicContact CB-CD1 3.89Å; F495-L498 HydrophobicContact CB-CG 4.2Å; F495-L498 HydrophobicContact CD1-CD1 3.83Å; F495-L498 HydrophobicContact CG-CD1 4.12Å; F495-L498 WeakPolarHBondContact O-CB 3.3Å; F495-L498 PolarHBondContact O-N 3.24Å; F495-L498 VanDerWaalsContact O-N 3.14Å; F495-L506 HydrophobicContact CD1-CD1 4.16Å; F495-L506 HydrophobicContact CD2-CD2 4.18Å; F495-L506 HydrophobicContact CE1-CD1 3.85Å; F495-L506 HydrophobicContact CE1-CD2 4.38Å; F495-L506 HydrophobicContact CE2-CD2 3.8Å; F495-L506 HydrophobicContact CZ-CD1 4.14Å; F495-L506 HydrophobicContact CZ-CD2 3.9Å
496	M	97.1	Very high	97.2	Very high	114 Å²	114	65.9 Å²	65.9	56%	0.562	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-36.1	-176.5	-179.4	175.3	61.7	0	0	113	D493	D493-M496 HydrophobicContact CB-CB 4.07Å; D493-M496 VanDerWaalsContact O-CB 3.24Å; D493-M496 WeakPolarHBondContact O-CB 3.5Å; D493-M496 PolarHBondContact O-N 3.24Å; D493-M496 VanDerWaalsContact O-N 3.12Å; D493-M496 PolarHBondContact OD1-N 3.18Å
497	N	97.7	Very high	97.2	Very high	93 Å²	93	70 Å²	70	50%	0.497	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-0.4	-175.6	-68.6	-37.4	0	0	0	114.3	R382 F495	R382-N497 HydrophobicContact CB-CB 4.1Å; R382-N497 PolarHBondContact O-ND2 2.95Å; F495-N497 PolarHBondContact O-N 3.1Å
498	L	98	Very high	97.2	Very high	13 Å²	13	72.9 Å²	72.9	7%	0.068	34%	0.342	C	S	.	.	S	Bend	trans	-75.3	146.3	173.1	-58.4	-170.5	0	0	0	110.8	F381 L434 L437 F495 Q502 R503 L506	F381-L498 HydrophobicContact CB-CD2 3.96Å; F381-L498 HydrophobicContact CD1-CD2 3.27Å; F381-L498 HydrophobicContact CE1-CD2 4.06Å; F381-L498 HydrophobicContact CG-CD2 3.94Å; L434-L498 HydrophobicContact CD1-CD1 4.32Å; L437-L498 HydrophobicContact CD2-CD1 4.4Å; F495-L498 HydrophobicContact CB-CD1 3.89Å; F495-L498 HydrophobicContact CB-CG 4.2Å; F495-L498 HydrophobicContact CD1-CD1 3.83Å; F495-L498 HydrophobicContact CG-CD1 4.12Å; F495-L498 WeakPolarHBondContact O-CB 3.3Å; F495-L498 PolarHBondContact O-N 3.24Å; F495-L498 VanDerWaalsContact O-N 3.14Å; L498-Q502 HydrophobicContact CB-CB 4.09Å; L498-R503 HydrophobicContact CB-CG 3.67Å; L498-R503 HydrophobicContact CD1-CG 4.4Å; L498-L506 HydrophobicContact CD1-CD1 4.03Å
499	T	98	Very high	97.3	Very high	80 Å²	80	66.3 Å²	66.3	49%	0.491	31%	0.312	S	S	.	.			trans	-64.3	156.7	171.4	64.8	0	0	0	0	111.1	K501 Q502 R503	T499-K501 PolarHBondContact O-N 3.04Å; T499-Q502 PolarHBondContact O-N 2.87Å; T499-Q502 WeakPolarHBondContact OG1-CB 3.46Å; T499-Q502 VanDerWaalsContact OG1-CG 3.29Å; T499-Q502 WeakPolarHBondContact OG1-CG 3.43Å; T499-Q502 PolarHBondContact OG1-N 2.99Å; T499-Q502 PolarHBondContact OG1-OE1 3.01Å; T499-R503 PolarHBondContact O-N 3.4Å
500	K	97.1	Very high	97.5	Very high	115 Å²	115	63.3 Å²	63.3	50%	0.5	30%	0.297	S	S	.	.	H	α-helix	trans	-52.6	-43.1	177.8	-173.3	-178.7	176.8	-173	0	112	R503 Q504	K500-R503 PolarHBondContact O-N 3.29Å; K500-Q504 WeakPolarHBondContact O-CG 3.43Å; K500-Q504 PolarHBondContact O-N 2.95Å; K500-Q504 PolarHBondContact O-OE1 2.72Å
501	K	96.7	Very high	97.7	Very high	157 Å²	157	58.2 Å²	58.2	68%	0.683	28%	0.275	S	S	*	.	H	α-helix	trans	-62.7	-46.9	177.3	-172.5	176.5	-178.1	179	0	111.7	T499 R503 Q504 T505	T499-K501 PolarHBondContact O-N 3.04Å; K501-R503 VanDerWaalsContact C-N 3.35Å; K501-R503 PolarHBondContact O-N 3.23Å; K501-Q504 PolarHBondContact O-N 2.63Å; K501-T505 PolarHBondContact O-N 3.23Å; K501-T505 PolarHBondContact O-OG1 3.17Å; K501-T505 VanDerWaalsContact O-OG1 3.1Å
502	Q	98	Very high	97.9	Very high	67 Å²	67	53.8 Å²	53.8	31%	0.313	26%	0.255	S	S	.	.	H	α-helix	trans	-60.1	-42.9	176.2	-75.2	168.3	-53.9	0	0	112	L434 L498 T499 Q504 T505 L506	L434-Q502 HydrophobicContact CD1-CB 4.15Å; L434-Q502 HydrophobicContact CD1-CG 4.43Å; L434-Q502 HydrophobicContact CD2-CB 4.17Å; L434-Q502 HydrophobicContact CD2-CG 4.14Å; L498-Q502 HydrophobicContact CB-CB 4.09Å; T499-Q502 PolarHBondContact O-N 2.87Å; T499-Q502 WeakPolarHBondContact OG1-CB 3.46Å; T499-Q502 VanDerWaalsContact OG1-CG 3.29Å; T499-Q502 WeakPolarHBondContact OG1-CG 3.43Å; T499-Q502 PolarHBondContact OG1-N 2.99Å; T499-Q502 PolarHBondContact OG1-OE1 3.01Å; Q502-Q504 PolarHBondContact O-N 2.99Å; Q502-T505 PolarHBondContact O-N 3.15Å; Q502-L506 VanDerWaalsContact O-CB 3.25Å; Q502-L506 WeakPolarHBondContact O-CB 3.47Å; Q502-L506 PolarHBondContact O-N 3.17Å
503	R	98.2	Very high	97.9	Very high	98 Å²	98	53.7 Å²	53.7	37%	0.37	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-41	176.3	-67.5	-174.1	70	154.4	9	112.3	D493 L498 T499 K500 K501 R507	D493-R503 IonicContact OD1-CZ 3.5Å; D493-R503 IonicContact OD1-NH2 3.3Å; D493-R503 PolarHBondContact OD1-NH2 3.1Å; D493-R503 IonicContact OD2-CZ 3.81Å; D493-R503 IonicContact OD2-NH1 3.41Å; D493-R503 PolarHBondContact OD2-NH1 3.24Å; D493-R503 IonicContact OD2-NH2 3.44Å; D493-R503 PolarHBondContact OD2-NH2 3.1Å; D493-R503 VanDerWaalsContact OD2-NH2 3.11Å; L498-R503 HydrophobicContact CB-CG 3.67Å; L498-R503 HydrophobicContact CD1-CG 4.4Å; T499-R503 PolarHBondContact O-N 3.4Å; K500-R503 PolarHBondContact O-N 3.29Å; K501-R503 VanDerWaalsContact C-N 3.35Å; K501-R503 PolarHBondContact O-N 3.23Å; R503-R507 WeakPolarHBondContact O-CB 3.47Å; R503-R507 PolarHBondContact O-N 3.49Å
504	Q	96.8	Very high	98	Very high	44 Å²	44	52 Å²	52	21%	0.206	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-47.1	176.7	-73.8	172	-58.5	0	0	111.4	V286 K500 K501 Q502 R507 K508	V286-Q504 PolarHBondContact O-NE2 3.43Å; K500-Q504 WeakPolarHBondContact O-CG 3.43Å; K500-Q504 PolarHBondContact O-N 2.95Å; K500-Q504 PolarHBondContact O-OE1 2.72Å; K501-Q504 PolarHBondContact O-N 2.63Å; Q502-Q504 PolarHBondContact O-N 2.99Å; Q504-R507 PolarHBondContact O-N 2.83Å; Q504-K508 PolarHBondContact O-N 3.38Å
505	T	97.2	Very high	98	Very high	50 Å²	50	54.2 Å²	54.2	31%	0.307	26%	0.258	S	S	.	.	H	α-helix	trans	-64.6	-48	178.3	-55.2	0	0	0	0	111.7	L434 K501 Q502 R507 K508 M509	L434-T505 HydrophobicContact CD2-CG2 4.22Å; K501-T505 PolarHBondContact O-N 3.23Å; K501-T505 PolarHBondContact O-OG1 3.17Å; K501-T505 VanDerWaalsContact O-OG1 3.1Å; Q502-T505 PolarHBondContact O-N 3.15Å; T505-R507 PolarHBondContact O-N 3.22Å; T505-K508 PolarHBondContact O-N 3.18Å; T505-M509 HydrophobicContact CG2-CE 4.01Å; T505-M509 HydrophobicContact CG2-SD 4.24Å; T505-M509 WeakPolarHBondContact O-CG 3.35Å; T505-M509 PolarHBondContact O-N 3.32Å
506	L	98.5	Very high	98	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-57.1	-49	176.2	178.9	148.1	0	0	0	111	L434 L437 A438 F495 L498 Q502 K508 M509 V510	L434-L506 HydrophobicContact CD1-CB 4.18Å; L434-L506 HydrophobicContact CD1-CD1 4.05Å; L434-L506 HydrophobicContact CG-CB 4.47Å; L437-L506 HydrophobicContact CD2-CD1 3.47Å; L437-L506 VanDerWaalsContact CD2-CD1 3.47Å; L437-L506 HydrophobicContact CG-CD1 3.79Å; A438-L506 HydrophobicContact CB-CG 4.26Å; F495-L506 HydrophobicContact CD1-CD1 4.16Å; F495-L506 HydrophobicContact CD2-CD2 4.18Å; F495-L506 HydrophobicContact CE1-CD1 3.85Å; F495-L506 HydrophobicContact CE1-CD2 4.38Å; F495-L506 HydrophobicContact CE2-CD2 3.8Å; F495-L506 HydrophobicContact CZ-CD1 4.14Å; F495-L506 HydrophobicContact CZ-CD2 3.9Å; L498-L506 HydrophobicContact CD1-CD1 4.03Å; Q502-L506 VanDerWaalsContact O-CB 3.25Å; Q502-L506 WeakPolarHBondContact O-CB 3.47Å; Q502-L506 PolarHBondContact O-N 3.17Å; L506-K508 VanDerWaalsContact C-N 3.31Å; L506-K508 PolarHBondContact O-N 3.07Å; L506-M509 PolarHBondContact O-N 3.11Å; L506-V510 HydrophobicContact CD2-CG2 3.99Å; L506-V510 HydrophobicContact CG-CG2 4.28Å; L506-V510 VanDerWaalsContact O-CG2 3.25Å; L506-V510 WeakPolarHBondContact O-CG2 3.37Å; L506-V510 PolarHBondContact O-N 2.85Å
507	R	98.6	Very high	98.1	Very high	87 Å²	87	49.3 Å²	49.3	33%	0.328	24%	0.235	S	C	.	.	H	α-helix	trans	-61.3	-40.7	-179.9	178.6	170.8	170.1	87.8	1.9	112.1	F484 R503 Q504 T505 I511	F484-R507 VanDerWaalsContact CD1-NH1 3.32Å; F484-R507 VanDerWaalsContact CD2-NH1 3.32Å; F484-R507 HydrophobicContact CE1-CB 4.13Å; F484-R507 HydrophobicContact CE1-CG 3.98Å; F484-R507 HydrophobicContact CE2-CG 4.29Å; F484-R507 HydrophobicContact CZ-CB 4.08Å; F484-R507 HydrophobicContact CZ-CG 3.8Å; R503-R507 WeakPolarHBondContact O-CB 3.47Å; R503-R507 PolarHBondContact O-N 3.49Å; Q504-R507 PolarHBondContact O-N 2.83Å; T505-R507 PolarHBondContact O-N 3.22Å; R507-I511 HydrophobicContact CG-CD1 3.72Å; R507-I511 HydrophobicContact CG-CG1 4.39Å; R507-I511 WeakPolarHBondContact O-CB 3.04Å; R507-I511 WeakPolarHBondContact O-CD1 3.36Å; R507-I511 VanDerWaalsContact O-CG1 3.22Å; R507-I511 WeakPolarHBondContact O-CG1 3.48Å; R507-I511 PolarHBondContact O-N 3.46Å
508	K	97.7	Very high	98.1	Very high	73 Å²	73	45.4 Å²	45.4	32%	0.317	21%	0.214	S	C	.	.	H	α-helix	trans	-60.9	-49.3	175.7	178.8	171.9	167.8	37.4	0	111.1	Q504 T505 L506 V510 I511 D512	Q504-K508 PolarHBondContact O-N 3.38Å; T505-K508 PolarHBondContact O-N 3.18Å; L506-K508 VanDerWaalsContact C-N 3.31Å; L506-K508 PolarHBondContact O-N 3.07Å; K508-V510 PolarHBondContact O-N 3.12Å; K508-I511 PolarHBondContact O-N 2.88Å; K508-D512 IonicContact NZ-OD1 2.73Å; K508-D512 PolarHBondContact NZ-OD1 2.98Å; K508-D512 IonicContact NZ-OD2 3.76Å; K508-D512 PolarHBondContact NZ-OD2 3.16Å; K508-D512 WeakPolarHBondContact O-CB 3.43Å; K508-D512 PolarHBondContact O-N 3.24Å
509	M	98.6	Very high	97.9	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.015	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-44.8	-179.7	-66.7	-176.4	-56.7	0	0	111.9	L434 E435 A438 T505 L506 I511 D512 M513 Y549 I553	L434-M509 HydrophobicContact CD2-CE 4.37Å; L434-M509 HydrophobicContact CG-CE 4.17Å; E435-M509 HydrophobicContact CB-SD 4.47Å; E435-M509 HydrophobicContact CG-CE 3.93Å; E435-M509 HydrophobicContact CG-SD 3.47Å; E435-M509 WeakPolarHBondContact CG-SD 3.46Å; A438-M509 HydrophobicContact CB-CB 4.02Å; A438-M509 HydrophobicContact CB-CE 3.73Å; T505-M509 HydrophobicContact CG2-CE 4.01Å; T505-M509 HydrophobicContact CG2-SD 4.24Å; T505-M509 WeakPolarHBondContact O-CG 3.35Å; T505-M509 PolarHBondContact O-N 3.32Å; L506-M509 PolarHBondContact O-N 3.11Å; M509-I511 PolarHBondContact O-N 3.47Å; M509-D512 PolarHBondContact O-N 3.33Å; M509-M513 HydrophobicContact CB-CE 4.03Å; M509-M513 WeakPolarHBondContact O-CB 3.34Å; M509-M513 WeakPolarHBondContact O-CE 3.27Å; M509-M513 WeakPolarHBondContact O-CG 3.42Å; M509-M513 PolarHBondContact O-N 3.38Å; M509-Y549 HydrophobicContact CG-CE2 3.75Å; M509-Y549 HydrophobicContact SD-CE2 4.18Å; M509-I553 HydrophobicContact CB-CD1 3.99Å; M509-I553 HydrophobicContact CG-CD1 4.08Å
510	V	98.8	Very high	97.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-43.2	178.5	173.9	0	0	0	0	111.4	A438 F441 A442 I445 L480 F484 L506 K508 M513 V514	A438-V510 HydrophobicContact CB-CG2 3.95Å; F441-V510 HydrophobicContact CD1-CG1 3.93Å; F441-V510 HydrophobicContact CD1-CG2 3.82Å; F441-V510 HydrophobicContact CE1-CG1 4.16Å; A442-V510 HydrophobicContact CB-CG1 4.16Å; I445-V510 HydrophobicContact CD1-CG1 3.9Å; L480-V510 HydrophobicContact CD2-CG1 3.94Å; F484-V510 HydrophobicContact CE2-CB 4.21Å; F484-V510 HydrophobicContact CE2-CG1 3.7Å; F484-V510 HydrophobicContact CZ-CB 3.92Å; F484-V510 HydrophobicContact CZ-CG1 3.79Å; F484-V510 HydrophobicContact CZ-CG2 4.46Å; L506-V510 HydrophobicContact CD2-CG2 3.99Å; L506-V510 HydrophobicContact CG-CG2 4.28Å; L506-V510 VanDerWaalsContact O-CG2 3.25Å; L506-V510 WeakPolarHBondContact O-CG2 3.37Å; L506-V510 PolarHBondContact O-N 2.85Å; K508-V510 PolarHBondContact O-N 3.12Å; V510-M513 PolarHBondContact O-N 2.88Å; V510-V514 HydrophobicContact CG1-CG2 4.31Å; V510-V514 WeakPolarHBondContact O-CG2 3.09Å; V510-V514 PolarHBondContact O-N 3.17Å
511	I	98.6	Very high	97.5	Very high	46 Å²	46	46.8 Å²	46.8	24%	0.236	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-47	174.8	-69.5	166.9	0	0	0	110.6	L480 F484 R507 K508 M509 M513 L515	L480-I511 HydrophobicContact CD1-CB 4.29Å; L480-I511 HydrophobicContact CD1-CG1 4.2Å; L480-I511 HydrophobicContact CD1-CG2 4.15Å; L480-I511 HydrophobicContact CD2-CB 4.48Å; L480-I511 HydrophobicContact CD2-CG1 3.99Å; F484-I511 HydrophobicContact CE2-CG1 4.4Å; R507-I511 HydrophobicContact CG-CD1 3.72Å; R507-I511 HydrophobicContact CG-CG1 4.39Å; R507-I511 WeakPolarHBondContact O-CB 3.04Å; R507-I511 WeakPolarHBondContact O-CD1 3.36Å; R507-I511 VanDerWaalsContact O-CG1 3.22Å; R507-I511 WeakPolarHBondContact O-CG1 3.48Å; R507-I511 PolarHBondContact O-N 3.46Å; K508-I511 PolarHBondContact O-N 2.88Å; M509-I511 PolarHBondContact O-N 3.47Å; I511-M513 PolarHBondContact O-N 2.8Å; I511-L515 HydrophobicContact CG2-CD1 3.75Å; I511-L515 HydrophobicContact CG2-CG 4.3Å; I511-L515 WeakPolarHBondContact O-CB 3.37Å; I511-L515 WeakPolarHBondContact O-CG 3.11Å; I511-L515 PolarHBondContact O-N 3.06Å; I511-L515 VanDerWaalsContact O-N 3.08Å
512	D	98.1	Very high	97.5	Very high	41 Å²	41	39.5 Å²	39.5	22%	0.219	19%	0.194	C	C	.	.	H	α-helix	trans	-60.8	-33.3	179.2	-68.7	-19.7	0	0	0	111.4	K508 M509 A516 Y549 I553 R557	K508-D512 IonicContact NZ-OD1 2.73Å; K508-D512 PolarHBondContact NZ-OD1 2.98Å; K508-D512 IonicContact NZ-OD2 3.76Å; K508-D512 PolarHBondContact NZ-OD2 3.16Å; K508-D512 WeakPolarHBondContact O-CB 3.43Å; K508-D512 PolarHBondContact O-N 3.24Å; M509-D512 PolarHBondContact O-N 3.33Å; D512-A516 WeakPolarHBondContact O-CB 3.36Å; D512-Y549 PolarHBondContact OD2-OH 3.45Å; D512-I553 HydrophobicContact CB-CD1 4.06Å; D512-I553 HydrophobicContact CB-CG1 3.8Å; D512-R557 WeakPolarHBondContact O-CD 3.32Å; D512-R557 WeakPolarHBondContact O-CG 3.35Å
513	M	98.8	Very high	97.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-78.7	-48.5	178.6	-74.4	-177.6	-72.7	0	0	114.2	A438 A439 A442 M509 V510 I511 A516 I553 L556 R557 V560	A438-M513 VanDerWaalsContact C-CE 3.4Å; A438-M513 HydrophobicContact CB-CE 3.74Å; A438-M513 WeakPolarHBondContact O-CE 3.15Å; A439-M513 HydrophobicContact CB-CE 4.34Å; A439-M513 HydrophobicContact CB-SD 3.94Å; A442-M513 HydrophobicContact CB-CB 3.86Å; A442-M513 HydrophobicContact CB-CE 3.97Å; A442-M513 HydrophobicContact CB-SD 4.35Å; M509-M513 HydrophobicContact CB-CE 4.03Å; M509-M513 WeakPolarHBondContact O-CB 3.34Å; M509-M513 WeakPolarHBondContact O-CE 3.27Å; M509-M513 WeakPolarHBondContact O-CG 3.42Å; M509-M513 PolarHBondContact O-N 3.38Å; V510-M513 PolarHBondContact O-N 2.88Å; I511-M513 PolarHBondContact O-N 2.8Å; M513-A516 WeakPolarHBondContact O-CB 3.44Å; M513-A516 PolarHBondContact O-N 3.38Å; M513-A516 VanDerWaalsContact O-N 3.12Å; M513-I553 HydrophobicContact CG-CD1 4.11Å; M513-L556 HydrophobicContact CG-CB 4.43Å; M513-L556 HydrophobicContact SD-CB 3.79Å; M513-R557 HydrophobicContact CG-CG 4.07Å; M513-V560 HydrophobicContact SD-CG2 4.01Å
514	V	98.8	Very high	97	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.4	-36.4	-178.9	178.9	0	0	0	0	111.2	A442 I445 H446 H479 L480 V510 A516 T517	A442-V514 HydrophobicContact CB-CG2 3.98Å; I445-V514 HydrophobicContact CG1-CG2 4.2Å; H446-V514 HydrophobicContact CB-CG1 4.3Å; H446-V514 HydrophobicContact CB-CG2 4.32Å; H479-V514 HydrophobicContact CB-CG1 4.33Å; L480-V514 HydrophobicContact CD1-CB 4.03Å; L480-V514 HydrophobicContact CD1-CG1 4.26Å; L480-V514 HydrophobicContact CD2-CB 3.75Å; L480-V514 HydrophobicContact CD2-CG1 4.28Å; L480-V514 HydrophobicContact CD2-CG2 3.83Å; L480-V514 HydrophobicContact CG-CB 3.71Å; L480-V514 HydrophobicContact CG-CG1 3.78Å; L480-V514 HydrophobicContact CG-CG2 4.27Å; V510-V514 HydrophobicContact CG1-CG2 4.31Å; V510-V514 WeakPolarHBondContact O-CG2 3.09Å; V510-V514 PolarHBondContact O-N 3.17Å; V514-A516 PolarHBondContact O-N 2.9Å; V514-A516 VanDerWaalsContact O-N 3.15Å; V514-T517 PolarHBondContact O-N 3.06Å; V514-T517 VanDerWaalsContact O-N 3.1Å; V514-T517 PolarHBondContact O-OG1 3.39Å
515	L	98.5	Very high	96.9	Very high	53 Å²	53	38.6 Å²	38.6	28%	0.277	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.5	173	-67.7	-180	0	0	0	113.2	E476 L480 I511	E476-L515 HydrophobicContact CB-CD2 4.08Å; L480-L515 HydrophobicContact CD1-CD2 3.9Å; L480-L515 HydrophobicContact CD1-CG 3.79Å; I511-L515 HydrophobicContact CG2-CD1 3.75Å; I511-L515 HydrophobicContact CG2-CG 4.3Å; I511-L515 WeakPolarHBondContact O-CB 3.37Å; I511-L515 WeakPolarHBondContact O-CG 3.11Å; I511-L515 PolarHBondContact O-N 3.06Å; I511-L515 VanDerWaalsContact O-N 3.08Å
516	A	98.2	Very high	96.7	Very high	7 Å²	7	36.8 Å²	36.8	6%	0.058	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-13.1	176.1	0	0	0	0	0	113	D512 M513 V514 D518 L525 R557	D512-A516 WeakPolarHBondContact O-CB 3.36Å; M513-A516 WeakPolarHBondContact O-CB 3.44Å; M513-A516 PolarHBondContact O-N 3.38Å; M513-A516 VanDerWaalsContact O-N 3.12Å; V514-A516 PolarHBondContact O-N 2.9Å; V514-A516 VanDerWaalsContact O-N 3.15Å; A516-D518 PolarHBondContact O-N 3.03Å; A516-L525 HydrophobicContact CB-CD1 3.97Å; A516-L525 HydrophobicContact CB-CD2 4.06Å; A516-L525 WeakPolarHBondContact O-CD1 3.41Å; A516-R557 HydrophobicContact CB-CB 3.83Å; A516-R557 HydrophobicContact CB-CG 3.93Å
517	T	98.4	Very high	96.4	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.043	21%	0.211	C	C	.	.			trans	-77.4	-12	175	66.1	0	0	0	0	112.4	H446 V514 M519 V560	H446-T517 HydrophobicContact CB-CG2 4.35Å; V514-T517 PolarHBondContact O-N 3.06Å; V514-T517 VanDerWaalsContact O-N 3.1Å; V514-T517 PolarHBondContact O-OG1 3.39Å; T517-M519 PolarHBondContact O-N 2.76Å; T517-V560 HydrophobicContact CG2-CG1 4.05Å
518	D	97.9	Very high	96	Very high	11 Å²	11	37 Å²	37	6%	0.059	21%	0.207	C	C	.	.			trans	-56.9	111.3	170.1	177.8	-10.9	0	0	0	109.7	S473 E476 A516 S520 K521	S473-D518 WeakPolarHBondContact CB-OD2 3.16Å; S473-D518 PolarHBondContact OG-OD2 3.45Å; E476-D518 HydrophobicContact CG-CB 3.83Å; A516-D518 PolarHBondContact O-N 3.03Å; D518-S520 PolarHBondContact O-N 3.01Å; D518-S520 WeakPolarHBondContact OD1-CB 3.21Å; D518-S520 PolarHBondContact OD1-N 3.17Å; D518-S520 PolarHBondContact OD1-OG 3.03Å; D518-S520 PolarHBondContact OD2-OG 3.39Å; D518-K521 HydrophobicContact CB-CG 4Å; D518-K521 WeakPolarHBondContact O-CB 3.38Å; D518-K521 PolarHBondContact O-N 3.35Å; D518-K521 IonicContact OD2-NZ 3.16Å
519	M	94.6	Very high	95.9	Very high	83 Å²	83	33.6 Å²	33.6	41%	0.409	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-58.1	-22.5	-176.7	-70.8	-58.4	-62.9	0	0	113.5	T517 K521 H522 L565 I622	T517-M519 PolarHBondContact O-N 2.76Å; M519-K521 PolarHBondContact O-N 2.99Å; M519-H522 WeakPolarHBondContact O-CB 3.42Å; M519-H522 PolarHBondContact O-N 2.95Å; M519-L565 HydrophobicContact CE-CD1 4.04Å; M519-L565 HydrophobicContact CE-CD2 3.9Å; M519-L565 HydrophobicContact SD-CD1 4.2Å; M519-L565 HydrophobicContact SD-CD2 3.89Å; M519-L565 HydrophobicContact SD-CG 4.43Å; M519-I622 HydrophobicContact CE-CG2 4.12Å
520	S	93.9	Very high	95.6	Very high	83 Å²	83	38.1 Å²	38.1	58%	0.58	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-65.1	-19	172.9	77.1	0	0	0	0	113.3	D518	D518-S520 PolarHBondContact O-N 3.01Å; D518-S520 WeakPolarHBondContact OD1-CB 3.21Å; D518-S520 PolarHBondContact OD1-N 3.17Å; D518-S520 PolarHBondContact OD1-OG 3.03Å; D518-S520 PolarHBondContact OD2-OG 3.39Å
521	K	93.5	Very high	95.2	Very high	71 Å²	71	41.8 Å²	41.8	31%	0.309	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-94.5	-5.6	179.3	-47.2	-53.7	-178.9	-154.9	0	113.3	E472 D518 M519 M523 S524 L525	E472-K521 IonicContact OE2-NZ 3.47Å; D518-K521 HydrophobicContact CB-CG 4Å; D518-K521 WeakPolarHBondContact O-CB 3.38Å; D518-K521 PolarHBondContact O-N 3.35Å; D518-K521 IonicContact OD2-NZ 3.16Å; M519-K521 PolarHBondContact O-N 2.99Å; K521-M523 VanDerWaalsContact C-N 3.31Å; K521-M523 PolarHBondContact O-N 2.94Å; K521-S524 WeakPolarHBondContact O-CB 3.38Å; K521-S524 PolarHBondContact O-N 3.11Å; K521-L525 PolarHBondContact O-N 3.21Å; K521-L525 VanDerWaalsContact O-N 3.1Å
522	H	95.2	Very high	94.8	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.019	23%	0.226	C	C	.	.	H	α-helix	trans	-48.4	-48.2	-175.9	173.4	100.9	0	0	0	112.9	M519 S524 L525 L526 H561 I622	M519-H522 WeakPolarHBondContact O-CB 3.42Å; M519-H522 PolarHBondContact O-N 2.95Å; H522-S524 VanDerWaalsContact C-N 3.3Å; H522-S524 PolarHBondContact O-N 2.76Å; H522-L525 PolarHBondContact O-N 2.8Å; H522-L526 WeakPolarHBondContact O-CB 3.4Å; H522-L526 PolarHBondContact O-N 3.43Å; H522-H561 AromaticContact CG-NE2 3.75Å; H522-H561 AromaticContact ND1-NE2 3.14Å; H522-H561 PolarHBondContact ND1-NE2 3.04Å; H522-H561 VanDerWaalsContact ND1-NE2 3.14Å; H522-I622 VanDerWaalsContact CE1-CG2 3.46Å; H522-I622 WeakPolarHBondContact CE1-CG2 3.45Å; H522-I622 PolarHBondContact CE1-O 2.95Å
523	M	92.6	Very high	94.6	Very high	112 Å²	112	39.5 Å²	39.5	55%	0.552	22%	0.223	S	C	*	.	H	α-helix	trans	-66.5	-31.3	-177.9	-64.7	-60.6	154	0	0	113	K521 A527 I622	K521-M523 VanDerWaalsContact C-N 3.31Å; K521-M523 PolarHBondContact O-N 2.94Å; M523-A527 WeakPolarHBondContact O-CB 3.43Å; M523-A527 PolarHBondContact O-N 3.01Å; M523-I622 HydrophobicContact CE-CD1 3.81Å
524	S	92.9	Very high	94.3	Very high	72 Å²	72	47.1 Å²	47.1	50%	0.503	26%	0.258	S	S	.	.	H	α-helix	trans	-69.3	-41.3	174.2	-170.8	0	0	0	0	111.2	K521 H522 A527 D528	K521-S524 WeakPolarHBondContact O-CB 3.38Å; K521-S524 PolarHBondContact O-N 3.11Å; H522-S524 VanDerWaalsContact C-N 3.3Å; H522-S524 PolarHBondContact O-N 2.76Å; S524-A527 PolarHBondContact O-N 3.11Å; S524-D528 PolarHBondContact O-N 2.94Å
525	L	95.3	Very high	93.8	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-43.3	177.3	-69.4	168.3	0	0	0	111.6	A516 K521 H522 A527 D528 L529 R557 N558 H561	A516-L525 HydrophobicContact CB-CD1 3.97Å; A516-L525 HydrophobicContact CB-CD2 4.06Å; A516-L525 WeakPolarHBondContact O-CD1 3.41Å; K521-L525 PolarHBondContact O-N 3.21Å; K521-L525 VanDerWaalsContact O-N 3.1Å; H522-L525 PolarHBondContact O-N 2.8Å; L525-A527 PolarHBondContact O-N 2.95Å; L525-D528 PolarHBondContact O-N 3.15Å; L525-L529 WeakPolarHBondContact O-CB 3.45Å; L525-L529 PolarHBondContact O-N 2.86Å; L525-R557 HydrophobicContact CD2-CB 4.1Å; L525-N558 PolarHBondContact O-ND2 2.94Å; L525-N558 PolarHBondContact O-OD1 3.31Å; L525-H561 HydrophobicContact CD1-CB 4.36Å
526	L	94.1	Very high	93.3	Very high	13 Å²	13	52 Å²	52	7%	0.068	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-40.1	176.3	-175.1	60.1	0	0	0	111.9	H522 L529 K530 P625 L626 T629	H522-L526 WeakPolarHBondContact O-CB 3.4Å; H522-L526 PolarHBondContact O-N 3.43Å; L526-L529 PolarHBondContact O-N 3.27Å; L526-K530 WeakPolarHBondContact O-CB 3.46Å; L526-K530 WeakPolarHBondContact O-CG 3.37Å; L526-K530 PolarHBondContact O-N 3.14Å; L526-P625 HydrophobicContact CD2-CB 4.16Å; L526-L626 HydrophobicContact CD1-CD1 4.46Å; L526-T629 HydrophobicContact CD1-CG2 4.39Å; L526-T629 WeakPolarHBondContact CD1-OG1 3.5Å
527	A	91.8	Very high	92.8	Very high	50 Å²	50	57.3 Å²	57.3	41%	0.413	31%	0.307	S	S	.	.	H	α-helix	trans	-65.3	-43.5	175.6	0	0	0	0	0	112.4	M523 S524 L525 L529 K530 T531	M523-A527 WeakPolarHBondContact O-CB 3.43Å; M523-A527 PolarHBondContact O-N 3.01Å; S524-A527 PolarHBondContact O-N 3.11Å; L525-A527 PolarHBondContact O-N 2.95Å; A527-L529 VanDerWaalsContact C-N 3.31Å; A527-L529 PolarHBondContact O-N 3.07Å; A527-K530 PolarHBondContact O-N 3.23Å; A527-T531 PolarHBondContact O-N 2.8Å; A527-T531 PolarHBondContact O-OG1 3.36Å
528	D	90.7	Very high	92.4	Very high	44 Å²	44	60.7 Å²	60.7	24%	0.235	33%	0.328	C	S	.	.	H	α-helix	trans	-58.8	-45	173	-78.4	-4.7	0	0	0	110.4	S524 L525 T531 M532 Q554 R557	S524-D528 PolarHBondContact O-N 2.94Å; L525-D528 PolarHBondContact O-N 3.15Å; D528-T531 PolarHBondContact O-N 3.35Å; D528-M532 PolarHBondContact O-N 3.49Å; D528-Q554 HydrophobicContact CB-CG 4.44Å; D528-R557 IonicContact OD2-NH2 3Å; D528-R557 PolarHBondContact OD2-NH2 2.93Å
529	L	93.6	Very high	91.9	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-66.1	-45.1	-179	-170.6	64.7	0	0	0	112.1	L525 L526 A527 T531 M532 V533 N558 L626 T629 W630 L633	L525-L529 WeakPolarHBondContact O-CB 3.45Å; L525-L529 PolarHBondContact O-N 2.86Å; L526-L529 PolarHBondContact O-N 3.27Å; A527-L529 VanDerWaalsContact C-N 3.31Å; A527-L529 PolarHBondContact O-N 3.07Å; L529-T531 PolarHBondContact O-N 3.44Å; L529-M532 WeakPolarHBondContact O-CB 3.35Å; L529-M532 PolarHBondContact O-N 3.23Å; L529-M532 VanDerWaalsContact O-N 3.11Å; L529-V533 WeakPolarHBondContact O-CG2 3.41Å; L529-V533 PolarHBondContact O-N 2.95Å; L529-N558 HydrophobicContact CD1-CB 4.16Å; L529-N558 HydrophobicContact CD2-CB 4.4Å; L529-L626 HydrophobicContact CD2-CD1 4.18Å; L529-T629 HydrophobicContact CB-CG2 4.18Å; L529-T629 HydrophobicContact CD2-CG2 3.84Å; L529-T629 HydrophobicContact CG-CG2 3.7Å; L529-W630 HydrophobicContact CD2-CB 4.49Å; L529-L633 HydrophobicContact CD1-CD2 3.71Å
530	K	92.7	Very high	91.5	Very high	97 Å²	97	65.3 Å²	65.3	42%	0.422	37%	0.367	S	S	.	.	H	α-helix	trans	-59	-46.3	175.3	-77	-175.9	176.1	-172.1	0	111.7	L526 A527 M532 V533 E534 T629	L526-K530 WeakPolarHBondContact O-CB 3.46Å; L526-K530 WeakPolarHBondContact O-CG 3.37Å; L526-K530 PolarHBondContact O-N 3.14Å; A527-K530 PolarHBondContact O-N 3.23Å; K530-M532 PolarHBondContact O-N 2.82Å; K530-V533 PolarHBondContact O-N 3.37Å; K530-V533 VanDerWaalsContact O-N 3.14Å; K530-E534 WeakPolarHBondContact O-CG 3.34Å; K530-E534 PolarHBondContact O-N 3.28Å; K530-T629 HydrophobicContact CB-CG2 4.34Å; K530-T629 HydrophobicContact CG-CG2 3.56Å
531	T	90.7	Very high	91.2	Very high	78 Å²	78	65.9 Å²	65.9	48%	0.479	37%	0.371	S	S	.	.	H	α-helix	trans	-58.6	-38.6	175.2	-55.6	0	0	0	0	111.6	A527 D528 L529 E534 T535	A527-T531 PolarHBondContact O-N 2.8Å; A527-T531 PolarHBondContact O-OG1 3.36Å; D528-T531 PolarHBondContact O-N 3.35Å; L529-T531 PolarHBondContact O-N 3.44Å; T531-E534 PolarHBondContact O-N 3.1Å; T531-T535 WeakPolarHBondContact O-CG2 3.45Å; T531-T535 PolarHBondContact O-N 3.35Å; T531-T535 VanDerWaalsContact O-N 3.12Å; T531-T535 PolarHBondContact O-OG1 3.45Å
532	M	91.6	Very high	90.9	Very high	13 Å²	13	64.4 Å²	64.4	6%	0.064	38%	0.376	C	S	.	.	H	α-helix	trans	-67.6	-40.9	176.5	-171.7	177.2	-64.3	0	0	112.5	D528 L529 K530 E534 T535 K536 L546 D551 Q554 V555 L633	D528-M532 PolarHBondContact O-N 3.49Å; L529-M532 WeakPolarHBondContact O-CB 3.35Å; L529-M532 PolarHBondContact O-N 3.23Å; L529-M532 VanDerWaalsContact O-N 3.11Å; K530-M532 PolarHBondContact O-N 2.82Å; M532-E534 VanDerWaalsContact C-N 3.33Å; M532-E534 PolarHBondContact O-N 2.88Å; M532-T535 CarbonylContact O-C 3.58Å; M532-T535 PolarHBondContact O-N 3.23Å; M532-K536 WeakPolarHBondContact O-CA 3.48Å; M532-K536 WeakPolarHBondContact O-CB 3.3Å; M532-K536 PolarHBondContact O-N 3.45Å; M532-L546 HydrophobicContact SD-CD2 4.3Å; M532-D551 HydrophobicContact CE-CB 4.37Å; M532-D551 WeakPolarHBondContact CE-O 3.36Å; M532-Q554 HydrophobicContact CE-CB 3.45Å; M532-Q554 VanDerWaalsContact CE-CB 3.45Å; M532-Q554 HydrophobicContact CE-CG 4.42Å; M532-Q554 VanDerWaalsContact CE-OE1 3.24Å; M532-V555 HydrophobicContact CE-CG2 3.83Å; M532-V555 HydrophobicContact SD-CG2 3.2Å; M532-V555 WeakPolarHBondContact SD-CG2 3.16Å; M532-L633 HydrophobicContact CG-CD1 4.21Å; M532-L633 HydrophobicContact SD-CD1 4.37Å; M532-L633 HydrophobicContact SD-CD2 4.32Å
533	V	93	Very high	90.7	Very high	26 Å²	26	65.5 Å²	65.5	16%	0.158	38%	0.383	C	S	.	.	H	α-helix	trans	-60.1	-43.8	174.6	171	0	0	0	0	111	L529 K530 T535 K536 T629 D632 L633	L529-V533 WeakPolarHBondContact O-CG2 3.41Å; L529-V533 PolarHBondContact O-N 2.95Å; K530-V533 PolarHBondContact O-N 3.37Å; K530-V533 VanDerWaalsContact O-N 3.14Å; V533-T535 VanDerWaalsContact C-N 3.28Å; V533-T535 PolarHBondContact O-N 3.02Å; V533-K536 VanDerWaalsContact O-CG 3.31Å; V533-K536 WeakPolarHBondContact O-CG 3.3Å; V533-K536 PolarHBondContact O-N 3.4Å; V533-T629 HydrophobicContact CG2-CG2 3.95Å; V533-T629 WeakPolarHBondContact CG2-O 3.37Å; V533-D632 HydrophobicContact CG1-CB 3.86Å; V533-D632 HydrophobicContact CG2-CB 4.37Å; V533-L633 HydrophobicContact CG2-CB 3.82Å; V533-L633 HydrophobicContact CG2-CD1 4.26Å
534	E	91.4	Very high	90.6	Very high	159 Å²	159	60.5 Å²	60.5	74%	0.743	36%	0.358	S	S	*	.	H	α-helix	trans	-65.2	-30.6	178.5	-70.4	174.1	-177.5	0	0	113.1	K530 T531 M532	K530-E534 WeakPolarHBondContact O-CG 3.34Å; K530-E534 PolarHBondContact O-N 3.28Å; T531-E534 PolarHBondContact O-N 3.1Å; M532-E534 VanDerWaalsContact C-N 3.33Å; M532-E534 PolarHBondContact O-N 2.88Å
535	T	88.7	Confident	90.5	Very high	95 Å²	95	60.8 Å²	60.8	58%	0.583	35%	0.354	S	S	*	.	H	α-helix	trans	-106.7	7.4	-176.8	59.8	0	0	0	0	113.9	T531 M532 V533 K537	T531-T535 WeakPolarHBondContact O-CG2 3.45Å; T531-T535 PolarHBondContact O-N 3.35Å; T531-T535 VanDerWaalsContact O-N 3.12Å; T531-T535 PolarHBondContact O-OG1 3.45Å; M532-T535 CarbonylContact O-C 3.58Å; M532-T535 PolarHBondContact O-N 3.23Å; V533-T535 VanDerWaalsContact C-N 3.28Å; V533-T535 PolarHBondContact O-N 3.02Å; T535-K537 PolarHBondContact O-N 3.41Å
536	K	88.1	Confident	90.2	Very high	61 Å²	61	61.5 Å²	61.5	27%	0.265	36%	0.358	S	S	.	.			trans	-60.2	137.2	-172.7	73.7	-175.7	176.7	173.7	0	111.4	M532 V533 V538 L544 D632 L633	M532-K536 WeakPolarHBondContact O-CA 3.48Å; M532-K536 WeakPolarHBondContact O-CB 3.3Å; M532-K536 PolarHBondContact O-N 3.45Å; V533-K536 VanDerWaalsContact O-CG 3.31Å; V533-K536 WeakPolarHBondContact O-CG 3.3Å; V533-K536 PolarHBondContact O-N 3.4Å; K536-V538 HydrophobicContact CG-CG2 4.4Å; K536-L544 HydrophobicContact CB-CD2 4.06Å; K536-L544 HydrophobicContact CD-CD2 4.32Å; K536-D632 PolarHBondContact NZ-O 2.83Å; K536-L633 HydrophobicContact CB-CD1 4.48Å
537	K	88.7	Confident	89.8	Confident	119 Å²	119	65.5 Å²	65.5	52%	0.517	38%	0.379	S	S	.	.			trans	-110.6	127.9	171.5	-63.6	177.4	-165.2	162.5	0	108.1	T535 L545 D547	T535-K537 PolarHBondContact O-N 3.41Å; K537-L545 HydrophobicContact CB-CB 4.08Å; K537-L545 HydrophobicContact CB-CD2 4.48Å; K537-L545 HydrophobicContact CD-CD2 4.43Å; K537-L545 WeakPolarHBondContact O-CB 3.36Å; K537-L545 PolarHBondContact O-N 3.12Å; K537-D547 IonicContact NZ-OD2 3.85Å; K537-D547 PolarHBondContact NZ-OD2 3.26Å
538	V	89	Confident	89.7	Confident	78 Å²	78	66.4 Å²	66.4	47%	0.473	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-116	134.9	-179.3	-173.6	0	0	0	0	108.5	K536 G542 L544	K536-V538 HydrophobicContact CG-CG2 4.4Å; V538-G542 VanDerWaalsContact CG1-CA 3.45Å; V538-G542 WeakPolarHBondContact CG1-O 3.27Å; V538-L544 HydrophobicContact CG2-CD2 4.09Å
539	T	88.5	Confident	89.8	Confident	49 Å²	49	67.7 Å²	67.7	30%	0.301	38%	0.379	S	S	.	.			trans	-70.5	168.7	174	60.8	0	0	0	0	110.8	S541 G542 V543 L545	T539-S541 PolarHBondContact O-N 2.88Å; T539-S541 VanDerWaalsContact O-N 3.08Å; T539-S541 PolarHBondContact OG1-OG 3.15Å; T539-G542 PolarHBondContact O-N 3.25Å; T539-V543 WeakPolarHBondContact CG2-O 3.29Å; T539-V543 PolarHBondContact N-O 3.43Å; T539-V543 PolarHBondContact OG1-N 3.11Å; T539-V543 PolarHBondContact OG1-O 3.46Å; T539-L545 HydrophobicContact CG2-CD1 4.02Å
540	S	86.4	Confident	89.7	Confident	142 Å²	142	71.3 Å²	71.3	99%	0.993	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.3	176.3	54.8	0	0	0	0	113.9
541	S	87	Confident	89.7	Confident	94 Å²	94	68.8 Å²	68.8	66%	0.657	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	0.5	176.4	52.6	0	0	0	0	114.1	T539 V543	T539-S541 PolarHBondContact O-N 2.88Å; T539-S541 VanDerWaalsContact O-N 3.08Å; T539-S541 PolarHBondContact OG1-OG 3.15Å; S541-V543 VanDerWaalsContact C-N 3.35Å
542	G	87.7	Confident	90	Very high	41 Å²	41	66.8 Å²	66.8	42%	0.423	38%	0.376	S	S	.	.	S	Bend	trans	87.9	-1.7	-177.3	0	0	0	0	0	114.6	V538 T539	V538-G542 VanDerWaalsContact CG1-CA 3.45Å; V538-G542 WeakPolarHBondContact CG1-O 3.27Å; T539-G542 PolarHBondContact O-N 3.25Å
543	V	90.7	Very high	90.2	Very high	26 Å²	26	66.6 Å²	66.6	16%	0.158	38%	0.375	C	S	.	.			trans	-82.3	137.1	179.9	179.3	0	0	0	0	110.6	A426 D428 V430 T539 S541	A426-V543 WeakPolarHBondContact O-CA 3.42Å; D428-V543 VanDerWaalsContact O-CG1 3.32Å; D428-V543 WeakPolarHBondContact O-CG1 3.48Å; V430-V543 HydrophobicContact CG2-CG1 3.51Å; T539-V543 WeakPolarHBondContact CG2-O 3.29Å; T539-V543 PolarHBondContact N-O 3.43Å; T539-V543 PolarHBondContact OG1-N 3.11Å; T539-V543 PolarHBondContact OG1-O 3.46Å; S541-V543 VanDerWaalsContact C-N 3.35Å
544	L	90.6	Very high	90.4	Very high	8 Å²	8	67.1 Å²	67.1	4%	0.042	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-66.8	136.3	177.1	-74.8	167.6	0	0	0	112.2	A426 L427 V430 K536 V538 L633 V634	A426-L544 PolarHBondContact O-N 3.33Å; L427-L544 HydrophobicContact CD2-CB 4.45Å; L427-L544 HydrophobicContact CD2-CD1 3.73Å; V430-L544 WeakPolarHBondContact CG2-O 3.32Å; K536-L544 HydrophobicContact CB-CD2 4.06Å; K536-L544 HydrophobicContact CD-CD2 4.32Å; V538-L544 HydrophobicContact CG2-CD2 4.09Å; L544-L633 HydrophobicContact CD1-CD1 3.82Å; L544-L633 HydrophobicContact CD1-CD2 4.42Å; L544-L633 HydrophobicContact CD1-CG 3.72Å; L544-L633 HydrophobicContact CD2-CD1 4.08Å; L544-V634 HydrophobicContact CD1-CG1 4.34Å
545	L	89.8	Confident	90.7	Very high	77 Å²	77	59.5 Å²	59.5	40%	0.403	34%	0.341	S	S	.	.			trans	-100.4	108	177	-164.3	83	0	0	0	110	K537 T539 D547	K537-L545 HydrophobicContact CB-CB 4.08Å; K537-L545 HydrophobicContact CB-CD2 4.48Å; K537-L545 HydrophobicContact CD-CD2 4.43Å; K537-L545 WeakPolarHBondContact O-CB 3.36Å; K537-L545 PolarHBondContact O-N 3.12Å; T539-L545 HydrophobicContact CG2-CD1 4.02Å; L545-D547 VanDerWaalsContact CD2-OD1 3.23Å; L545-D547 WeakPolarHBondContact CD2-OD1 3.4Å; L545-D547 WeakPolarHBondContact CG-OD1 3.25Å
546	L	90.3	Very high	91.1	Very high	21 Å²	21	55 Å²	55	11%	0.11	31%	0.313	C	S	.	.			trans	-110.2	99.5	176.8	-53.9	-179.4	0	0	0	109.6	V430 F431 M532 D551 R552 V555	V430-L546 HydrophobicContact CG1-CB 4.28Å; V430-L546 HydrophobicContact CG1-CD1 3.69Å; V430-L546 HydrophobicContact CG1-CG 4.03Å; F431-L546 HydrophobicContact CE1-CD1 4.21Å; F431-L546 HydrophobicContact CZ-CD1 4.12Å; M532-L546 HydrophobicContact SD-CD2 4.3Å; L546-D551 HydrophobicContact CB-CB 4.31Å; L546-D551 HydrophobicContact CD2-CB 4.23Å; L546-R552 HydrophobicContact CB-CG 3.62Å; L546-R552 HydrophobicContact CD1-CG 4.24Å; L546-V555 HydrophobicContact CD1-CB 4.15Å; L546-V555 HydrophobicContact CD1-CG2 3.66Å; L546-V555 HydrophobicContact CD2-CG2 4.14Å
547	D	85.6	Confident	91.6	Very high	97 Å²	97	54.6 Å²	54.6	52%	0.519	31%	0.31	S	S	.	.			trans	-78.2	-25	-164.3	-70.1	-33.8	0	0	0	113.7	K537 L545	K537-D547 IonicContact NZ-OD2 3.85Å; K537-D547 PolarHBondContact NZ-OD2 3.26Å; L545-D547 VanDerWaalsContact CD2-OD1 3.23Å; L545-D547 WeakPolarHBondContact CD2-OD1 3.4Å; L545-D547 WeakPolarHBondContact CG-OD1 3.25Å
548	N	89.9	Confident	92.1	Very high	68 Å²	68	49 Å²	49	36%	0.364	29%	0.285	S	S	.	.	S	Bend	trans	-138.9	166.8	-169.9	73.9	71.9	0	0	0	112.5	T550 D551 R552	N548-T550 VanDerWaalsContact C-N 3.31Å; N548-T550 PolarHBondContact O-N 2.92Å; N548-T550 WeakPolarHBondContact OD1-CA 3.44Å; N548-T550 WeakPolarHBondContact OD1-CB 3.49Å; N548-T550 PolarHBondContact OD1-N 3.45Å; N548-D551 PolarHBondContact ND2-OD1 2.93Å; N548-D551 PolarHBondContact ND2-OD2 3.45Å; N548-D551 PolarHBondContact O-N 3.37Å; N548-D551 PolarHBondContact OD1-N 3.49Å; N548-D551 VanDerWaalsContact OD1-N 3.14Å; N548-D551 PolarHBondContact OD1-OD1 2.86Å; N548-R552 WeakPolarHBondContact O-CD 3.29Å; N548-R552 WeakPolarHBondContact O-CG 3.49Å; N548-R552 PolarHBondContact O-N 3.19Å
549	Y	91.2	Very high	92.5	Very high	71 Å²	71	45.3 Å²	45.3	28%	0.278	26%	0.263	S	S	.	.	H	α-helix	trans	-58.6	-39.5	-178.8	174.3	-93.1	0	0	0	113	M509 D512 R552 I553	M509-Y549 HydrophobicContact CG-CE2 3.75Å; M509-Y549 HydrophobicContact SD-CE2 4.18Å; D512-Y549 PolarHBondContact OD2-OH 3.45Å; Y549-R552 PolarHBondContact O-N 2.81Å; Y549-I553 HydrophobicContact CD1-CG2 4.15Å; Y549-I553 HydrophobicContact CE1-CB 4.06Å; Y549-I553 HydrophobicContact CE1-CG1 4.44Å; Y549-I553 HydrophobicContact CE1-CG2 3.76Å; Y549-I553 HydrophobicContact CE2-CB 4.47Å; Y549-I553 WeakPolarHBondContact O-CG2 3.48Å; Y549-I553 PolarHBondContact O-N 2.74Å
550	T	91.6	Very high	93	Very high	78 Å²	78	43 Å²	43	48%	0.479	25%	0.249	S	C	.	.	H	α-helix	trans	-62.2	-47.3	-177.4	-53	0	0	0	0	111.2	N548 R552 I553 Q554	N548-T550 VanDerWaalsContact C-N 3.31Å; N548-T550 PolarHBondContact O-N 2.92Å; N548-T550 WeakPolarHBondContact OD1-CA 3.44Å; N548-T550 WeakPolarHBondContact OD1-CB 3.49Å; N548-T550 PolarHBondContact OD1-N 3.45Å; T550-R552 VanDerWaalsContact C-N 3.31Å; T550-R552 PolarHBondContact O-N 3.23Å; T550-I553 WeakPolarHBondContact O-CG2 3.36Å; T550-Q554 VanDerWaalsContact O-CB 3.29Å; T550-Q554 WeakPolarHBondContact O-CB 3.49Å; T550-Q554 VanDerWaalsContact O-CG 3.32Å; T550-Q554 WeakPolarHBondContact O-CG 3.44Å; T550-Q554 PolarHBondContact O-N 2.93Å
551	D	93	Very high	93.6	Very high	44 Å²	44	36.2 Å²	36.2	24%	0.235	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-42.4	178.1	-53.7	-5	0	0	0	110.1	M532 L546 N548 Q554 V555	M532-D551 HydrophobicContact CE-CB 4.37Å; M532-D551 WeakPolarHBondContact CE-O 3.36Å; L546-D551 HydrophobicContact CB-CB 4.31Å; L546-D551 HydrophobicContact CD2-CB 4.23Å; N548-D551 PolarHBondContact ND2-OD1 2.93Å; N548-D551 PolarHBondContact ND2-OD2 3.45Å; N548-D551 PolarHBondContact O-N 3.37Å; N548-D551 PolarHBondContact OD1-N 3.49Å; N548-D551 VanDerWaalsContact OD1-N 3.14Å; N548-D551 PolarHBondContact OD1-OD1 2.86Å; D551-Q554 WeakPolarHBondContact O-CB 3.29Å; D551-Q554 PolarHBondContact O-N 3.44Å; D551-V555 WeakPolarHBondContact O-CG2 3.47Å; D551-V555 PolarHBondContact O-N 3.01Å; D551-V555 VanDerWaalsContact O-N 3.08Å
552	R	96.6	Very high	94.1	Very high	35 Å²	35	31.7 Å²	31.7	13%	0.132	17%	0.17	C	C	.	.	H	α-helix	trans	-66.2	-46.4	-178.2	-64.3	168.4	73.2	77.2	-1.1	112.3	V430 F431 E435 L546 N548 Y549 T550 Q554 V555 L556	V430-R552 PolarHBondContact O-NH1 3.49Å; V430-R552 PolarHBondContact O-NH2 2.95Å; F431-R552 HydrophobicContact CE1-CB 4.41Å; E435-R552 IonicContact OE1-CZ 3.11Å; E435-R552 IonicContact OE1-NE 3Å; E435-R552 PolarHBondContact OE1-NE 3.21Å; E435-R552 IonicContact OE1-NH2 3.48Å; E435-R552 PolarHBondContact OE1-NH2 3.36Å; E435-R552 VanDerWaalsContact OE1-NH2 3.14Å; E435-R552 IonicContact OE2-CZ 2.67Å; E435-R552 IonicContact OE2-NE 3.36Å; E435-R552 IonicContact OE2-NH2 3.73Å; E435-R552 PolarHBondContact OE2-NH2 2.9Å; L546-R552 HydrophobicContact CB-CG 3.62Å; L546-R552 HydrophobicContact CD1-CG 4.24Å; N548-R552 WeakPolarHBondContact O-CD 3.29Å; N548-R552 WeakPolarHBondContact O-CG 3.49Å; N548-R552 PolarHBondContact O-N 3.19Å; Y549-R552 PolarHBondContact O-N 2.81Å; T550-R552 VanDerWaalsContact C-N 3.31Å; T550-R552 PolarHBondContact O-N 3.23Å; R552-Q554 VanDerWaalsContact C-N 3.33Å; R552-V555 PolarHBondContact O-N 3.43Å; R552-L556 WeakPolarHBondContact O-CG 3.48Å; R552-L556 PolarHBondContact O-N 3.06Å
553	I	97.2	Very high	94.7	Very high	10 Å²	10	29.8 Å²	29.8	5%	0.051	15%	0.15	C	C	.	.	H	α-helix	trans	-70.5	-31.2	177.7	-162.8	59.1	0	0	0	111.4	M509 D512 M513 Y549 T550 L556 R557	M509-I553 HydrophobicContact CB-CD1 3.99Å; M509-I553 HydrophobicContact CG-CD1 4.08Å; D512-I553 HydrophobicContact CB-CD1 4.06Å; D512-I553 HydrophobicContact CB-CG1 3.8Å; M513-I553 HydrophobicContact CG-CD1 4.11Å; Y549-I553 HydrophobicContact CD1-CG2 4.15Å; Y549-I553 HydrophobicContact CE1-CB 4.06Å; Y549-I553 HydrophobicContact CE1-CG1 4.44Å; Y549-I553 HydrophobicContact CE1-CG2 3.76Å; Y549-I553 HydrophobicContact CE2-CB 4.47Å; Y549-I553 WeakPolarHBondContact O-CG2 3.48Å; Y549-I553 PolarHBondContact O-N 2.74Å; T550-I553 WeakPolarHBondContact O-CG2 3.36Å; I553-L556 HydrophobicContact CD1-CB 4.45Å; I553-L556 PolarHBondContact O-N 3.43Å; I553-R557 HydrophobicContact CD1-CG 4.49Å; I553-R557 HydrophobicContact CG1-CG 4.23Å; I553-R557 WeakPolarHBondContact O-CB 3.31Å; I553-R557 WeakPolarHBondContact O-CG 3.41Å; I553-R557 PolarHBondContact O-N 3.01Å; I553-R557 PolarHBondContact O-NE 3.43Å
554	Q	95.8	Very high	95.1	Very high	36 Å²	36	29.3 Å²	29.3	17%	0.168	15%	0.146	C	C	.	.	H	α-helix	trans	-60.1	-45.4	171.8	-87	176.1	4.1	0	0	112	D528 M532 T550 D551 R552 N558	D528-Q554 HydrophobicContact CB-CG 4.44Å; M532-Q554 HydrophobicContact CE-CB 3.45Å; M532-Q554 VanDerWaalsContact CE-CB 3.45Å; M532-Q554 HydrophobicContact CE-CG 4.42Å; M532-Q554 VanDerWaalsContact CE-OE1 3.24Å; T550-Q554 VanDerWaalsContact O-CB 3.29Å; T550-Q554 WeakPolarHBondContact O-CB 3.49Å; T550-Q554 VanDerWaalsContact O-CG 3.32Å; T550-Q554 WeakPolarHBondContact O-CG 3.44Å; T550-Q554 PolarHBondContact O-N 2.93Å; D551-Q554 WeakPolarHBondContact O-CB 3.29Å; D551-Q554 PolarHBondContact O-N 3.44Å; R552-Q554 VanDerWaalsContact C-N 3.33Å; Q554-N558 PolarHBondContact O-N 3.24Å; Q554-N558 PolarHBondContact O-ND2 3.02Å
555	V	97.4	Very high	95.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-46.9	174.8	178.2	0	0	0	0	111.1	L427 F431 M532 L546 D551 R552 R557 N558 M559 W630 L633	L427-V555 HydrophobicContact CD2-CG1 4.41Å; F431-V555 HydrophobicContact CE2-CG1 4.49Å; F431-V555 HydrophobicContact CZ-CB 4.15Å; F431-V555 HydrophobicContact CZ-CG1 3.79Å; M532-V555 HydrophobicContact CE-CG2 3.83Å; M532-V555 HydrophobicContact SD-CG2 3.2Å; M532-V555 WeakPolarHBondContact SD-CG2 3.16Å; L546-V555 HydrophobicContact CD1-CB 4.15Å; L546-V555 HydrophobicContact CD1-CG2 3.66Å; L546-V555 HydrophobicContact CD2-CG2 4.14Å; D551-V555 WeakPolarHBondContact O-CG2 3.47Å; D551-V555 PolarHBondContact O-N 3.01Å; D551-V555 VanDerWaalsContact O-N 3.08Å; R552-V555 PolarHBondContact O-N 3.43Å; V555-R557 PolarHBondContact O-N 3.36Å; V555-N558 PolarHBondContact O-N 3.01Å; V555-M559 WeakPolarHBondContact O-CB 3.27Å; V555-M559 PolarHBondContact O-N 3.2Å; V555-W630 HydrophobicContact CG1-CH2 4.17Å; V555-W630 HydrophobicContact CG1-CZ3 4.17Å; V555-L633 HydrophobicContact CG2-CD2 4.25Å
556	L	98.5	Very high	95.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-64.4	-39.8	-177.4	-69.1	170.7	0	0	0	112.9	L422 F431 E435 A439 M513 R552 I553 M559 V560	L422-L556 HydrophobicContact CD2-CD2 4.09Å; F431-L556 HydrophobicContact CD1-CD1 4.04Å; F431-L556 HydrophobicContact CD1-CD2 3.86Å; F431-L556 HydrophobicContact CD1-CG 4.05Å; F431-L556 HydrophobicContact CD2-CD2 4.28Å; F431-L556 HydrophobicContact CE1-CD1 3.99Å; F431-L556 HydrophobicContact CE1-CD2 3.66Å; F431-L556 HydrophobicContact CE1-CG 3.6Å; F431-L556 HydrophobicContact CE2-CD2 4.08Å; F431-L556 HydrophobicContact CG-CD2 4.17Å; F431-L556 HydrophobicContact CZ-CD2 3.78Å; F431-L556 HydrophobicContact CZ-CG 4.02Å; E435-L556 HydrophobicContact CB-CD1 3.98Å; E435-L556 HydrophobicContact CG-CD1 4.13Å; A439-L556 HydrophobicContact CB-CD2 4.18Å; M513-L556 HydrophobicContact CG-CB 4.43Å; M513-L556 HydrophobicContact SD-CB 3.79Å; R552-L556 WeakPolarHBondContact O-CG 3.48Å; R552-L556 PolarHBondContact O-N 3.06Å; I553-L556 HydrophobicContact CD1-CB 4.45Å; I553-L556 PolarHBondContact O-N 3.43Å; L556-M559 WeakPolarHBondContact O-CB 3.46Å; L556-M559 PolarHBondContact O-N 3.28Å; L556-V560 PolarHBondContact O-N 3.06Å
557	R	98.3	Very high	96.2	Very high	52 Å²	52	25.5 Å²	25.5	20%	0.196	13%	0.126	C	C	.	.	H	α-helix	trans	-60.6	-48.9	173.3	-70.9	178.1	-48.7	160.2	17.8	111.4	D512 M513 A516 L525 D528 I553 V555 M559 V560 H561	D512-R557 WeakPolarHBondContact O-CD 3.32Å; D512-R557 WeakPolarHBondContact O-CG 3.35Å; M513-R557 HydrophobicContact CG-CG 4.07Å; A516-R557 HydrophobicContact CB-CB 3.83Å; A516-R557 HydrophobicContact CB-CG 3.93Å; L525-R557 HydrophobicContact CD2-CB 4.1Å; D528-R557 IonicContact OD2-NH2 3Å; D528-R557 PolarHBondContact OD2-NH2 2.93Å; I553-R557 HydrophobicContact CD1-CG 4.49Å; I553-R557 HydrophobicContact CG1-CG 4.23Å; I553-R557 WeakPolarHBondContact O-CB 3.31Å; I553-R557 WeakPolarHBondContact O-CG 3.41Å; I553-R557 PolarHBondContact O-N 3.01Å; I553-R557 PolarHBondContact O-NE 3.43Å; V555-R557 PolarHBondContact O-N 3.36Å; R557-M559 VanDerWaalsContact C-N 3.29Å; R557-M559 PolarHBondContact O-N 2.97Å; R557-V560 PolarHBondContact O-N 3.03Å; R557-H561 WeakPolarHBondContact O-CB 2.95Å; R557-H561 PolarHBondContact O-N 3.23Å
558	N	98.2	Very high	96.9	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-63.5	-35.5	176.4	-83.7	-78.1	0	0	0	111.9	L525 L529 Q554 V555 H561 C562 W630	L525-N558 PolarHBondContact O-ND2 2.94Å; L525-N558 PolarHBondContact O-OD1 3.31Å; L529-N558 HydrophobicContact CD1-CB 4.16Å; L529-N558 HydrophobicContact CD2-CB 4.4Å; Q554-N558 PolarHBondContact O-N 3.24Å; Q554-N558 PolarHBondContact O-ND2 3.02Å; V555-N558 PolarHBondContact O-N 3.01Å; N558-H561 PolarHBondContact O-N 3.25Å; N558-C562 WeakPolarHBondContact O-CB 3.49Å; N558-C562 PolarHBondContact O-N 3.34Å; N558-C562 PolarHBondContact O-SG 3.16Å; N558-W630 HydrophobicContact CB-CZ3 4.48Å
559	M	98.6	Very high	97.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.6	-47.7	178.1	-175.4	-175.9	-74.4	0	0	112.1	T418 L421 L422 L427 F431 V555 L556 R557 H561 C562 A563 W630	T418-M559 HydrophobicContact CG2-SD 4.47Å; L421-M559 HydrophobicContact CB-CE 4.26Å; L421-M559 HydrophobicContact CB-CG 3.62Å; L421-M559 HydrophobicContact CB-SD 3.88Å; L421-M559 HydrophobicContact CD1-CG 3.83Å; L421-M559 HydrophobicContact CG-CG 4.38Å; L422-M559 HydrophobicContact CB-SD 4.39Å; L422-M559 HydrophobicContact CD2-CE 4.01Å; L422-M559 HydrophobicContact CD2-SD 3.54Å; L422-M559 VanDerWaalsContact CD2-SD 3.54Å; L422-M559 HydrophobicContact CG-CE 4.39Å; L422-M559 HydrophobicContact CG-SD 3.55Å; L422-M559 VanDerWaalsContact CG-SD 3.55Å; L427-M559 HydrophobicContact CD1-CE 3.39Å; F431-M559 HydrophobicContact CE2-CE 4.14Å; V555-M559 WeakPolarHBondContact O-CB 3.27Å; V555-M559 PolarHBondContact O-N 3.2Å; L556-M559 WeakPolarHBondContact O-CB 3.46Å; L556-M559 PolarHBondContact O-N 3.28Å; R557-M559 VanDerWaalsContact C-N 3.29Å; R557-M559 PolarHBondContact O-N 2.97Å; M559-H561 VanDerWaalsContact C-N 3.31Å; M559-C562 PolarHBondContact O-N 2.9Å; M559-A563 WeakPolarHBondContact O-CB 3.45Å; M559-A563 PolarHBondContact O-N 3.44Å; M559-W630 HydrophobicContact CB-CH2 3.68Å; M559-W630 HydrophobicContact CB-CZ3 4Å; M559-W630 HydrophobicContact CE-CH2 3.65Å; M559-W630 HydrophobicContact CE-CZ2 4.09Å; M559-W630 HydrophobicContact CG-CH2 3.87Å; M559-W630 HydrophobicContact CG-CZ2 4.32Å
560	V	98.8	Very high	97.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.9	-39.5	176.4	177.3	0	0	0	0	110.2	T418 M513 T517 L556 R557 A563 D564	T418-V560 HydrophobicContact CG2-CG2 4.21Å; M513-V560 HydrophobicContact SD-CG2 4.01Å; T517-V560 HydrophobicContact CG2-CG1 4.05Å; L556-V560 PolarHBondContact O-N 3.06Å; R557-V560 PolarHBondContact O-N 3.03Å; V560-A563 WeakPolarHBondContact O-CB 3.45Å; V560-A563 PolarHBondContact O-N 3.08Å; V560-D564 WeakPolarHBondContact O-CB 3.33Å; V560-D564 PolarHBondContact O-N 3.06Å
561	H	98.5	Very high	98	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-63.6	-40.5	175.2	-166.3	53.1	0	0	0	113.3	H522 L525 R557 N558 M559 A563 D564 L565	H522-H561 AromaticContact CG-NE2 3.75Å; H522-H561 AromaticContact ND1-NE2 3.14Å; H522-H561 PolarHBondContact ND1-NE2 3.04Å; H522-H561 VanDerWaalsContact ND1-NE2 3.14Å; L525-H561 HydrophobicContact CD1-CB 4.36Å; R557-H561 WeakPolarHBondContact O-CB 2.95Å; R557-H561 PolarHBondContact O-N 3.23Å; N558-H561 PolarHBondContact O-N 3.25Å; M559-H561 VanDerWaalsContact C-N 3.31Å; H561-A563 VanDerWaalsContact C-N 3.34Å; H561-D564 PolarHBondContact O-N 3Å; H561-L565 WeakPolarHBondContact O-CB 3.22Å; H561-L565 WeakPolarHBondContact O-CG 3.27Å; H561-L565 PolarHBondContact O-N 3.27Å
562	C	98.7	Very high	98.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.5	-41	171.9	-73	0	0	0	0	111.3	L421 N558 M559 D564 L565 S566 W627	L421-C562 HydrophobicContact CD1-CB 4.19Å; N558-C562 WeakPolarHBondContact O-CB 3.49Å; N558-C562 PolarHBondContact O-N 3.34Å; N558-C562 PolarHBondContact O-SG 3.16Å; M559-C562 PolarHBondContact O-N 2.9Å; C562-D564 VanDerWaalsContact C-N 3.34Å; C562-L565 CarbonylContact O-C 3.2Å; C562-L565 PolarHBondContact O-N 3.5Å; C562-S566 WeakPolarHBondContact O-CA 3.34Å; C562-S566 WeakPolarHBondContact O-CB 3.38Å; C562-S566 PolarHBondContact O-N 3.29Å; C562-S566 VanDerWaalsContact O-N 3.08Å; C562-W627 HydrophobicContact CB-CH2 4.12Å; C562-W627 HydrophobicContact CB-CZ2 3.93Å; C562-W627 WeakPolarHBondContact O-CZ2 3.34Å
563	A	98.7	Very high	98.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.9	-39	177.2	0	0	0	0	0	112.2	V414 T418 L421 M559 V560 H561 S566	V414-A563 HydrophobicContact CG1-CB 3.96Å; T418-A563 VanDerWaalsContact OG1-CB 3.24Å; T418-A563 WeakPolarHBondContact OG1-CB 3.5Å; L421-A563 HydrophobicContact CD1-CB 4.26Å; M559-A563 WeakPolarHBondContact O-CB 3.45Å; M559-A563 PolarHBondContact O-N 3.44Å; V560-A563 WeakPolarHBondContact O-CB 3.45Å; V560-A563 PolarHBondContact O-N 3.08Å; H561-A563 VanDerWaalsContact C-N 3.34Å; A563-S566 WeakPolarHBondContact O-CB 3.47Å; A563-S566 PolarHBondContact O-N 3.5Å; A563-S566 PolarHBondContact O-OG 3.47Å
564	D	98.8	Very high	98.4	Very high	16 Å²	16	17.7 Å²	17.7	9%	0.086	9%	0.089	C	C	.	.	H	α-helix	trans	-64.4	-44.3	173.5	-170.9	4.4	0	0	0	111.2	H410 V414 H446 V560 H561 C562 S566	H410-D564 IonicContact CE1-OD1 3.16Å; H410-D564 PolarHBondContact CE1-OD1 2.91Å; H410-D564 IonicContact NE2-OD1 3.98Å; H410-D564 PolarHBondContact NE2-OD1 3.4Å; V414-D564 HydrophobicContact CG1-CB 4.42Å; H446-D564 IonicContact NE2-OD1 3.62Å; V560-D564 WeakPolarHBondContact O-CB 3.33Å; V560-D564 PolarHBondContact O-N 3.06Å; H561-D564 PolarHBondContact O-N 3Å; C562-D564 VanDerWaalsContact C-N 3.34Å; D564-S566 PolarHBondContact O-N 2.91Å
565	L	98.5	Very high	98.5	Very high	12 Å²	12	16 Å²	16	6%	0.063	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	32.2	175.6	-57.9	177.2	0	0	0	113.6	M519 H561 C562 F618 I622 L626 W627	M519-L565 HydrophobicContact CE-CD1 4.04Å; M519-L565 HydrophobicContact CE-CD2 3.9Å; M519-L565 HydrophobicContact SD-CD1 4.2Å; M519-L565 HydrophobicContact SD-CD2 3.89Å; M519-L565 HydrophobicContact SD-CG 4.43Å; H561-L565 WeakPolarHBondContact O-CB 3.22Å; H561-L565 WeakPolarHBondContact O-CG 3.27Å; H561-L565 PolarHBondContact O-N 3.27Å; C562-L565 CarbonylContact O-C 3.2Å; C562-L565 PolarHBondContact O-N 3.5Å; L565-F618 HydrophobicContact CD2-CE2 4.43Å; L565-F618 HydrophobicContact CD2-CZ 3.88Å; L565-I622 HydrophobicContact CD1-CG2 4.24Å; L565-L626 HydrophobicContact CB-CD2 4.23Å; L565-L626 HydrophobicContact CD1-CD2 3.63Å; L565-L626 HydrophobicContact CG-CD2 4.5Å; L565-W627 PolarHBondContact O-NE1 3.11Å
566	S	98.6	Very high	98.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-17.3	-175	69.6	0	0	0	0	114.7	C562 A563 D564 P568 T569 K570	C562-S566 WeakPolarHBondContact O-CA 3.34Å; C562-S566 WeakPolarHBondContact O-CB 3.38Å; C562-S566 PolarHBondContact O-N 3.29Å; C562-S566 VanDerWaalsContact O-N 3.08Å; A563-S566 WeakPolarHBondContact O-CB 3.47Å; A563-S566 PolarHBondContact O-N 3.5Å; A563-S566 PolarHBondContact O-OG 3.47Å; D564-S566 PolarHBondContact O-N 2.91Å; S566-P568 VanDerWaalsContact C-CD 3.49Å; S566-P568 VanDerWaalsContact C-N 3.34Å; S566-T569 WeakPolarHBondContact O-CA 3.44Å; S566-T569 PolarHBondContact O-N 3.48Å; S566-T569 PolarHBondContact O-OG1 2.88Å; S566-K570 PolarHBondContact O-N 2.96Å; S566-K570 VanDerWaalsContact OG-CE 3.31Å; S566-K570 WeakPolarHBondContact OG-CE 3.32Å; S566-K570 PolarHBondContact OG-NZ 2.93Å
567	N	98.6	Very high	98.5	Very high	14 Å²	14	24.4 Å²	24.4	8%	0.075	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-51.8	-45.1	-173.3	-54.7	-29	0	0	0	113.9	Y405 D413 T569 K570 Y575 W578	Y405-N567 VanDerWaalsContact CE2-ND2 3.3Å; Y405-N567 WeakPolarHBondContact CE2-ND2 3.41Å; Y405-N567 PolarHBondContact OH-ND2 2.89Å; D413-N567 PolarHBondContact OD2-OD1 2.92Å; N567-T569 PolarHBondContact O-N 3.48Å; N567-T569 VanDerWaalsContact O-N 3.14Å; N567-K570 WeakPolarHBondContact O-CB 3.49Å; N567-K570 PolarHBondContact O-N 3.39Å; N567-K570 VanDerWaalsContact O-N 3.15Å; N567-Y575 HydrophobicContact CB-CD2 4.07Å; N567-Y575 HydrophobicContact CB-CE2 4.5Å; N567-Y575 WeakPolarHBondContact O-CB 3.27Å; N567-Y575 WeakPolarHBondContact O-CD2 3.22Å; N567-W578 HydrophobicContact CB-CB 3.87Å; N567-W578 HydrophobicContact CB-CG 4.03Å
568	P	98.7	Very high	98.6	Very high	2 Å²	2	22 Å²	22	1%	0.013	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-68.2	-11.2	-179.9	-21	36.7	0	0	0	114.5	S566 Y575 F618 I619 V623 L645 N648	S566-P568 VanDerWaalsContact C-CD 3.49Å; S566-P568 VanDerWaalsContact C-N 3.34Å; P568-Y575 HydrophobicContact CB-CD1 4.38Å; P568-Y575 HydrophobicContact CB-CD2 4.35Å; P568-Y575 HydrophobicContact CB-CE1 3.8Å; P568-Y575 HydrophobicContact CB-CE2 3.81Å; P568-Y575 HydrophobicContact CG-CD2 4.31Å; P568-Y575 HydrophobicContact CG-CE1 4.45Å; P568-Y575 HydrophobicContact CG-CE2 3.59Å; P568-F618 HydrophobicContact CG-CD1 4.32Å; P568-F618 HydrophobicContact CG-CE1 4.02Å; P568-I619 HydrophobicContact CB-CD1 4.07Å; P568-I619 HydrophobicContact CB-CG1 3.95Å; P568-I619 HydrophobicContact CG-CG1 4.44Å; P568-V623 HydrophobicContact CB-CG1 4.23Å; P568-V623 HydrophobicContact CG-CG1 4.15Å; P568-V623 HydrophobicContact CG-CG2 4.19Å; P568-L645 HydrophobicContact CB-CD1 3.61Å; P568-L645 WeakPolarHBondContact O-CD1 3.39Å; P568-N648 PolarHBondContact O-ND2 3.5Å
569	T	98.7	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-100.2	-3.5	177.8	81.4	0	0	0	0	113.2	W348 S566 N567 V623 W627 I641 T644 L645	W348-T569 WeakPolarHBondContact CZ2-OG1 3.5Å; W348-T569 PolarHBondContact NE1-O 2.99Å; W348-T569 PolarHBondContact NE1-OG1 3.06Å; S566-T569 WeakPolarHBondContact O-CA 3.44Å; S566-T569 PolarHBondContact O-N 3.48Å; S566-T569 PolarHBondContact O-OG1 2.88Å; N567-T569 PolarHBondContact O-N 3.48Å; N567-T569 VanDerWaalsContact O-N 3.14Å; T569-V623 HydrophobicContact CG2-CG1 4.42Å; T569-W627 HydrophobicContact CG2-CD2 3.94Å; T569-W627 HydrophobicContact CG2-CG 3.94Å; T569-W627 HydrophobicContact CG2-CZ2 4.24Å; T569-I641 HydrophobicContact CG2-CG2 3.82Å; T569-I641 WeakPolarHBondContact OG1-CG2 3.37Å; T569-T644 WeakPolarHBondContact O-CG2 3.38Å; T569-L645 HydrophobicContact CG2-CB 4.16Å; T569-L645 HydrophobicContact CG2-CD1 4.11Å; T569-L645 HydrophobicContact CG2-CD2 4.26Å; T569-L645 HydrophobicContact CG2-CG 4.41Å
570	K	98.6	Very high	98.5	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	13%	0.132	C	C	.	.	S	Bend	trans	-77.4	170.9	171.8	-54.8	-64.9	170.7	65.2	0	109.9	W348 D413 S417 S566 N567 L574 T644 N648	W348-K570 WeakPolarHBondContact O-CD 3.2Å; D413-K570 IonicContact OD1-NZ 3.48Å; D413-K570 PolarHBondContact OD1-NZ 3.36Å; D413-K570 IonicContact OD2-NZ 2.97Å; D413-K570 PolarHBondContact OD2-NZ 2.91Å; S417-K570 WeakPolarHBondContact OG-CE 3.32Å; S417-K570 PolarHBondContact OG-NZ 3.43Å; S566-K570 PolarHBondContact O-N 2.96Å; S566-K570 VanDerWaalsContact OG-CE 3.31Å; S566-K570 WeakPolarHBondContact OG-CE 3.32Å; S566-K570 PolarHBondContact OG-NZ 2.93Å; N567-K570 WeakPolarHBondContact O-CB 3.49Å; N567-K570 PolarHBondContact O-N 3.39Å; N567-K570 VanDerWaalsContact O-N 3.15Å; K570-L574 HydrophobicContact CB-CB 4.02Å; K570-L574 HydrophobicContact CB-CD1 4.29Å; K570-T644 VanDerWaalsContact O-CG2 3.29Å; K570-T644 WeakPolarHBondContact O-CG2 3.46Å; K570-N648 PolarHBondContact O-ND2 3.04Å
571	S	98.4	Very high	98.5	Very high	53 Å²	53	30.4 Å²	30.4	37%	0.371	15%	0.146	S	C	.	.			trans	-57.2	148	172.9	66	0	0	0	0	111	E573 L574 Y575	S571-E573 PolarHBondContact O-N 3.01Å; S571-L574 PolarHBondContact O-N 3.46Å; S571-L574 WeakPolarHBondContact OG-CG 3.35Å; S571-Y575 PolarHBondContact O-N 2.99Å
572	L	98.4	Very high	98.5	Very high	48 Å²	48	31.6 Å²	31.6	25%	0.251	15%	0.152	S	C	.	.	H	α-helix	trans	-53.5	-34.1	-175.8	-176.2	64	0	0	0	113.3	R576 N648 W651 Y652	L572-R576 HydrophobicContact CD1-CG 4.05Å; L572-R576 HydrophobicContact CG-CG 4.32Å; L572-R576 WeakPolarHBondContact O-CB 3.17Å; L572-R576 VanDerWaalsContact O-CG 3.25Å; L572-R576 WeakPolarHBondContact O-CG 3.49Å; L572-R576 PolarHBondContact O-N 3.21Å; L572-N648 WeakPolarHBondContact CA-OD1 3.42Å; L572-N648 WeakPolarHBondContact CB-OD1 3.47Å; L572-W651 HydrophobicContact CD1-CB 4.32Å; L572-W651 HydrophobicContact CD1-CD2 3.76Å; L572-W651 HydrophobicContact CD1-CE3 3.71Å; L572-W651 HydrophobicContact CD1-CG 4.03Å; L572-W651 HydrophobicContact CD1-CZ3 4.3Å; L572-W651 HydrophobicContact CD2-CB 4.39Å; L572-W651 HydrophobicContact CD2-CD2 3.74Å; L572-W651 HydrophobicContact CD2-CE3 4.49Å; L572-W651 HydrophobicContact CD2-CG 3.64Å; L572-W651 HydrophobicContact CD2-CZ2 4.39Å; L572-W651 HydrophobicContact CG-CD2 4.33Å; L572-Y652 HydrophobicContact CD1-CE2 4.5Å
573	E	98.3	Very high	98.5	Very high	130 Å²	130	32 Å²	32	61%	0.607	15%	0.154	S	C	*	.	H	α-helix	trans	-62.1	-43.9	176.3	-177.3	-177.4	166.4	0	0	112.6	S571 Q577	S571-E573 PolarHBondContact O-N 3.01Å; E573-Q577 PolarHBondContact O-NE2 3.26Å
574	L	98.5	Very high	98.5	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-72.5	-45.2	177.5	-62.4	177.5	0	0	0	110.4	N351 F353 K570 S571 R576 Q577 W578	N351-L574 HydrophobicContact CB-CD2 4.18Å; F353-L574 HydrophobicContact CD2-CD2 3.6Å; F353-L574 HydrophobicContact CE2-CB 4.45Å; F353-L574 HydrophobicContact CE2-CD2 3.83Å; K570-L574 HydrophobicContact CB-CB 4.02Å; K570-L574 HydrophobicContact CB-CD1 4.29Å; S571-L574 PolarHBondContact O-N 3.46Å; S571-L574 WeakPolarHBondContact OG-CG 3.35Å; L574-R576 VanDerWaalsContact C-N 3.34Å; L574-R576 PolarHBondContact O-N 3.37Å; L574-Q577 PolarHBondContact O-N 3.08Å; L574-W578 VanDerWaalsContact O-CD1 3.22Å; L574-W578 PolarHBondContact O-N 2.83Å; L574-W578 VanDerWaalsContact O-N 3.11Å
575	Y	98.7	Very high	98.4	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-59.2	-45	-178	179.9	-154.7	0	0	0	111.7	N567 P568 S571 Q577 W578 T579 Q615 I619 N648 Y652	N567-Y575 HydrophobicContact CB-CD2 4.07Å; N567-Y575 HydrophobicContact CB-CE2 4.5Å; N567-Y575 WeakPolarHBondContact O-CB 3.27Å; N567-Y575 WeakPolarHBondContact O-CD2 3.22Å; P568-Y575 HydrophobicContact CB-CD1 4.38Å; P568-Y575 HydrophobicContact CB-CD2 4.35Å; P568-Y575 HydrophobicContact CB-CE1 3.8Å; P568-Y575 HydrophobicContact CB-CE2 3.81Å; P568-Y575 HydrophobicContact CG-CD2 4.31Å; P568-Y575 HydrophobicContact CG-CE1 4.45Å; P568-Y575 HydrophobicContact CG-CE2 3.59Å; S571-Y575 PolarHBondContact O-N 2.99Å; Y575-Q577 VanDerWaalsContact C-N 3.33Å; Y575-Q577 PolarHBondContact O-N 3.47Å; Y575-W578 WeakPolarHBondContact O-CA 3.41Å; Y575-W578 WeakPolarHBondContact O-CB 3.49Å; Y575-W578 PolarHBondContact O-N 2.91Å; Y575-W578 VanDerWaalsContact O-N 3.07Å; Y575-T579 VanDerWaalsContact CE2-OG1 3.29Å; Y575-T579 WeakPolarHBondContact CE2-OG1 3.3Å; Y575-T579 PolarHBondContact O-N 3.37Å; Y575-T579 PolarHBondContact O-OG1 3.31Å; Y575-Q615 PolarHBondContact OH-OE1 2.94Å; Y575-I619 HydrophobicContact CE1-CD1 4.24Å; Y575-N648 HydrophobicContact CD1-CB 3.84Å; Y575-N648 HydrophobicContact CE1-CB 4.04Å; Y575-Y652 HydrophobicContact CD1-CD2 4.25Å; Y575-Y652 AromaticContact CD1-CE2 3.57Å; Y575-Y652 HydrophobicContact CD1-CE2 3.57Å; Y575-Y652 AromaticContact CE1-CD2 3.6Å; Y575-Y652 HydrophobicContact CE1-CD2 3.6Å; Y575-Y652 AromaticContact CE1-CE2 3.2Å; Y575-Y652 HydrophobicContact CE1-CE2 3.2Å; Y575-Y652 HydrophobicContact CG-CE2 4.41Å; Y575-Y652 AromaticContact CZ-CE2 3.76Å
576	R	98.4	Very high	98.4	Very high	114 Å²	114	39 Å²	39	43%	0.43	19%	0.185	S	C	.	.	H	α-helix	trans	-59.3	-41.7	178	-75.1	-178	65.4	-160.8	-4.6	113	L572 L574 W578 T579 D580 W651	L572-R576 HydrophobicContact CD1-CG 4.05Å; L572-R576 HydrophobicContact CG-CG 4.32Å; L572-R576 WeakPolarHBondContact O-CB 3.17Å; L572-R576 VanDerWaalsContact O-CG 3.25Å; L572-R576 WeakPolarHBondContact O-CG 3.49Å; L572-R576 PolarHBondContact O-N 3.21Å; L574-R576 VanDerWaalsContact C-N 3.34Å; L574-R576 PolarHBondContact O-N 3.37Å; R576-W578 VanDerWaalsContact C-N 3.29Å; R576-W578 PolarHBondContact O-N 3.41Å; R576-T579 PolarHBondContact O-N 2.93Å; R576-D580 VanDerWaalsContact O-CG 3.31Å; R576-D580 PolarHBondContact O-N 3.34Å; R576-W651 HydrophobicContact CG-CH2 4.23Å; R576-W651 HydrophobicContact CG-CZ3 4.19Å
577	Q	98.5	Very high	98.4	Very high	62 Å²	62	41.1 Å²	41.1	29%	0.29	19%	0.194	S	C	.	.	H	α-helix	trans	-63.1	-37.6	176.1	-70.9	174.4	81.7	0	0	111.9	F353 E573 L574 Y575 R581	F353-Q577 HydrophobicContact CE1-CB 4.08Å; F353-Q577 HydrophobicContact CE2-CB 3.78Å; F353-Q577 HydrophobicContact CE2-CG 4.47Å; F353-Q577 HydrophobicContact CZ-CB 3.55Å; E573-Q577 PolarHBondContact O-NE2 3.26Å; L574-Q577 PolarHBondContact O-N 3.08Å; Y575-Q577 VanDerWaalsContact C-N 3.33Å; Y575-Q577 PolarHBondContact O-N 3.47Å; Q577-R581 VanDerWaalsContact O-CG 3.29Å; Q577-R581 WeakPolarHBondContact O-CG 3.44Å; Q577-R581 PolarHBondContact O-N 2.83Å; Q577-R581 VanDerWaalsContact O-N 3.15Å
578	W	98.7	Very high	98.4	Very high	2 Å²	2	43 Å²	43	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-67	-42.9	173.7	-73.1	126	0	0	0	112.7	I352 F353 Y405 L409 H410 D413 N567 L574 Y575 R576 D580 R581 I582	I352-W578 HydrophobicContact CG2-CZ2 3.8Å; F353-W578 HydrophobicContact CE1-CH2 4.47Å; F353-W578 HydrophobicContact CE1-CZ2 4.37Å; F353-W578 HydrophobicContact CE2-CZ2 4.46Å; F353-W578 AromaticContact CE2-NE1 3.95Å; F353-W578 AromaticContact CZ-CD2 3.8Å; F353-W578 HydrophobicContact CZ-CD2 3.8Å; F353-W578 AromaticContact CZ-CE2 3.57Å; F353-W578 HydrophobicContact CZ-CE3 4.3Å; F353-W578 HydrophobicContact CZ-CG 4.19Å; F353-W578 HydrophobicContact CZ-CH2 4.34Å; F353-W578 AromaticContact CZ-CZ2 3.87Å; F353-W578 HydrophobicContact CZ-CZ2 3.87Å; F353-W578 AromaticContact CZ-NE1 3.85Å; Y405-W578 AromaticContact CD2-CE3 3.72Å; Y405-W578 HydrophobicContact CD2-CE3 3.72Å; Y405-W578 HydrophobicContact CD2-CZ3 4.22Å; Y405-W578 HydrophobicContact CE2-CB 4.45Å; Y405-W578 HydrophobicContact CE2-CD2 4.35Å; Y405-W578 AromaticContact CE2-CE3 3.63Å; Y405-W578 HydrophobicContact CE2-CE3 3.63Å; Y405-W578 HydrophobicContact CE2-CZ3 4.27Å; L409-W578 HydrophobicContact CB-CH2 4.28Å; L409-W578 HydrophobicContact CD2-CH2 4.06Å; L409-W578 HydrophobicContact CG-CH2 3.79Å; L409-W578 HydrophobicContact CG-CZ2 4.41Å; H410-W578 HydrophobicContact CB-CH2 3.98Å; H410-W578 HydrophobicContact CB-CZ3 3.96Å; D413-W578 HydrophobicContact CB-CH2 4.43Å; D413-W578 HydrophobicContact CB-CZ2 3.77Å; N567-W578 HydrophobicContact CB-CB 3.87Å; N567-W578 HydrophobicContact CB-CG 4.03Å; L574-W578 VanDerWaalsContact O-CD1 3.22Å; L574-W578 PolarHBondContact O-N 2.83Å; L574-W578 VanDerWaalsContact O-N 3.11Å; Y575-W578 WeakPolarHBondContact O-CA 3.41Å; Y575-W578 WeakPolarHBondContact O-CB 3.49Å; Y575-W578 PolarHBondContact O-N 2.91Å; Y575-W578 VanDerWaalsContact O-N 3.07Å; R576-W578 VanDerWaalsContact C-N 3.29Å; R576-W578 PolarHBondContact O-N 3.41Å; W578-D580 VanDerWaalsContact C-N 3.35Å; W578-D580 PolarHBondContact O-N 2.91Å; W578-R581 PolarHBondContact O-N 2.68Å; W578-I582 WeakPolarHBondContact O-CG2 3.36Å; W578-I582 PolarHBondContact O-N 2.9Å
579	T	98.4	Very high	98.3	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-44.7	174.8	-58.8	0	0	0	0	111.3	Y575 R576 R581 I582 M583 V611 Q615 Y652	Y575-T579 VanDerWaalsContact CE2-OG1 3.29Å; Y575-T579 WeakPolarHBondContact CE2-OG1 3.3Å; Y575-T579 PolarHBondContact O-N 3.37Å; Y575-T579 PolarHBondContact O-OG1 3.31Å; R576-T579 PolarHBondContact O-N 2.93Å; T579-R581 VanDerWaalsContact C-N 3.31Å; T579-R581 PolarHBondContact O-N 3.42Å; T579-I582 VanDerWaalsContact O-CG2 3.31Å; T579-I582 WeakPolarHBondContact O-CG2 3.42Å; T579-I582 PolarHBondContact O-N 3.41Å; T579-M583 HydrophobicContact CG2-CG 4.27Å; T579-M583 WeakPolarHBondContact O-CB 3.32Å; T579-M583 WeakPolarHBondContact O-CG 3.19Å; T579-M583 PolarHBondContact O-N 3.42Å; T579-V611 HydrophobicContact CG2-CG1 3.67Å; T579-Q615 HydrophobicContact CG2-CG 3.73Å; T579-Q615 PolarHBondContact OG1-OE1 3.46Å; T579-Q615 VanDerWaalsContact OG1-OE1 3.06Å; T579-Y652 WeakPolarHBondContact CB-OH 3.5Å; T579-Y652 HydrophobicContact CG2-CE1 4.35Å; T579-Y652 PolarHBondContact OG1-OH 2.77Å
580	D	98.2	Very high	98.3	Very high	99 Å²	99	43.4 Å²	43.4	53%	0.529	20%	0.204	S	C	.	.	H	α-helix	trans	-60.6	-42.8	178.2	-69.3	-16.9	0	0	0	111.1	R576 W578 E584	R576-D580 VanDerWaalsContact O-CG 3.31Å; R576-D580 PolarHBondContact O-N 3.34Å; W578-D580 VanDerWaalsContact C-N 3.35Å; W578-D580 PolarHBondContact O-N 2.91Å; D580-E584 WeakPolarHBondContact O-CB 3.14Å; D580-E584 PolarHBondContact O-N 3.48Å
581	R	98.6	Very high	98.3	Very high	77 Å²	77	45.3 Å²	45.3	29%	0.291	22%	0.215	S	C	.	.	H	α-helix	trans	-65.8	-45.7	178.4	-74.7	172.8	178.1	-80	1.2	113.6	A404 Y405 Q577 W578 T579 M583 E584 E585	A404-R581 WeakPolarHBondContact CB-O 3.41Å; A404-R581 WeakPolarHBondContact O-CG 3.26Å; A404-R581 PolarHBondContact O-NH1 3.35Å; A404-R581 VanDerWaalsContact O-NH1 3.1Å; Y405-R581 HydrophobicContact CD2-CB 4.25Å; Q577-R581 VanDerWaalsContact O-CG 3.29Å; Q577-R581 WeakPolarHBondContact O-CG 3.44Å; Q577-R581 PolarHBondContact O-N 2.83Å; Q577-R581 VanDerWaalsContact O-N 3.15Å; W578-R581 PolarHBondContact O-N 2.68Å; T579-R581 VanDerWaalsContact C-N 3.31Å; T579-R581 PolarHBondContact O-N 3.42Å; R581-M583 VanDerWaalsContact C-N 3.34Å; R581-E584 PolarHBondContact O-N 2.99Å; R581-E585 PolarHBondContact O-N 2.61Å
582	I	98.1	Very high	98.2	Very high	24 Å²	24	45.8 Å²	45.8	12%	0.123	21%	0.21	C	C	.	.	H	α-helix	trans	-68.6	-36.8	179.8	-168.7	64.3	0	0	0	111	Y405 W578 T579 E585 F586	Y405-I582 HydrophobicContact CD1-CD1 3.72Å; Y405-I582 HydrophobicContact CD2-CB 3.68Å; Y405-I582 HydrophobicContact CD2-CD1 4.12Å; Y405-I582 HydrophobicContact CD2-CG1 4.4Å; Y405-I582 HydrophobicContact CE1-CD1 4.22Å; Y405-I582 HydrophobicContact CE2-CB 4.19Å; Y405-I582 HydrophobicContact CG-CB 4.02Å; Y405-I582 HydrophobicContact CG-CD1 3.66Å; Y405-I582 HydrophobicContact CG-CG1 4.41Å; W578-I582 WeakPolarHBondContact O-CG2 3.36Å; W578-I582 PolarHBondContact O-N 2.9Å; T579-I582 VanDerWaalsContact O-CG2 3.31Å; T579-I582 WeakPolarHBondContact O-CG2 3.42Å; T579-I582 PolarHBondContact O-N 3.41Å; I582-E585 PolarHBondContact O-N 3.39Å; I582-F586 HydrophobicContact CD1-CD1 4.22Å; I582-F586 HydrophobicContact CD1-CE1 3.64Å; I582-F586 HydrophobicContact CD1-CZ 3.9Å; I582-F586 HydrophobicContact CG1-CD1 4.34Å; I582-F586 HydrophobicContact CG1-CD2 4.46Å; I582-F586 HydrophobicContact CG1-CE1 3.85Å; I582-F586 HydrophobicContact CG1-CE2 3.99Å; I582-F586 HydrophobicContact CG1-CZ 3.66Å; I582-F586 WeakPolarHBondContact O-CG 3.28Å; I582-F586 PolarHBondContact O-N 3.12Å
583	M	97.8	Very high	98.2	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.039	20%	0.198	C	C	.	.	H	α-helix	trans	-66.2	-41.2	174.7	-69	-51.7	-46.7	0	0	111.5	T579 R581 E585 F586 F587 M603 A609 V611	T579-M583 HydrophobicContact CG2-CG 4.27Å; T579-M583 WeakPolarHBondContact O-CB 3.32Å; T579-M583 WeakPolarHBondContact O-CG 3.19Å; T579-M583 PolarHBondContact O-N 3.42Å; R581-M583 VanDerWaalsContact C-N 3.34Å; M583-E585 VanDerWaalsContact C-N 3.34Å; M583-E585 PolarHBondContact O-N 3.39Å; M583-F586 PolarHBondContact O-N 3.19Å; M583-F586 HydrophobicContact SD-CD2 4.34Å; M583-F587 HydrophobicContact CB-CE2 4.11Å; M583-F587 HydrophobicContact CB-CZ 4.26Å; M583-F587 HydrophobicContact CE-CD1 4.29Å; M583-F587 HydrophobicContact CE-CE1 3.35Å; M583-F587 HydrophobicContact CE-CE2 4.24Å; M583-F587 HydrophobicContact CE-CZ 3.33Å; M583-F587 WeakPolarHBondContact O-CB 3.2Å; M583-F587 WeakPolarHBondContact O-CD1 3.38Å; M583-F587 WeakPolarHBondContact O-CD2 3.22Å; M583-F587 WeakPolarHBondContact O-CG 3.42Å; M583-F587 PolarHBondContact O-N 2.87Å; M583-M603 HydrophobicContact CE-CE 3.85Å; M583-M603 HydrophobicContact SD-CE 4.03Å; M583-A609 HydrophobicContact CE-CB 4.14Å; M583-V611 HydrophobicContact CE-CG2 4.09Å; M583-V611 HydrophobicContact CG-CG1 3.93Å; M583-V611 HydrophobicContact CG-CG2 4.05Å; M583-V611 HydrophobicContact SD-CG1 4.39Å; M583-V611 HydrophobicContact SD-CG2 4.3Å
584	E	98.3	Very high	98.1	Very high	101 Å²	101	42 Å²	42	47%	0.472	19%	0.186	S	C	.	.	H	α-helix	trans	-57.2	-47.1	173	-176.5	179.9	166.4	0	0	111.3	A404 D580 R581 F587 Q588	A404-E584 HydrophobicContact CB-CB 3.94Å; A404-E584 HydrophobicContact CB-CG 3.88Å; D580-E584 WeakPolarHBondContact O-CB 3.14Å; D580-E584 PolarHBondContact O-N 3.48Å; R581-E584 PolarHBondContact O-N 2.99Å; E584-F587 PolarHBondContact O-N 3.28Å; E584-Q588 WeakPolarHBondContact O-CG 3.44Å; E584-Q588 PolarHBondContact O-N 2.89Å; E584-Q588 PolarHBondContact OE1-NE2 3.43Å
585	E	98.5	Very high	98.1	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.028	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-43.3	178.8	-165.2	175.2	131.1	0	0	112.7	V403 A404 Y405 H406 H450 G452 R581 I582 M583 F587 Q588 Q589	V403-E585 HydrophobicContact CG1-CG 4.36Å; V403-E585 WeakPolarHBondContact CG1-OE2 3.47Å; A404-E585 HydrophobicContact CB-CB 4.24Å; Y405-E585 WeakPolarHBondContact CA-OE2 3.45Å; Y405-E585 WeakPolarHBondContact CB-OE2 3.49Å; Y405-E585 PolarHBondContact N-OE2 3.49Å; H406-E585 IonicContact CE1-OE1 2.81Å; H406-E585 PolarHBondContact CE1-OE1 3.48Å; H406-E585 IonicContact CG-OE1 3.3Å; H406-E585 PolarHBondContact N-OE2 3.03Å; H406-E585 VanDerWaalsContact ND1-CD 3.32Å; H406-E585 IonicContact ND1-OE1 2.65Å; H406-E585 PolarHBondContact ND1-OE1 3.4Å; H406-E585 IonicContact ND1-OE2 3.32Å; H406-E585 PolarHBondContact ND1-OE2 2.66Å; H450-E585 IonicContact CE1-OE1 3.45Å; H450-E585 IonicContact ND1-OE1 3.58Å; G452-E585 VanDerWaalsContact CA-OE1 3.27Å; G452-E585 WeakPolarHBondContact CA-OE1 3.4Å; R581-E585 PolarHBondContact O-N 2.61Å; I582-E585 PolarHBondContact O-N 3.39Å; M583-E585 VanDerWaalsContact C-N 3.34Å; M583-E585 PolarHBondContact O-N 3.39Å; E585-F587 VanDerWaalsContact C-N 3.3Å; E585-F587 PolarHBondContact O-N 2.9Å; E585-Q588 WeakPolarHBondContact O-CB 3.5Å; E585-Q588 PolarHBondContact O-N 3.4Å; E585-Q589 PolarHBondContact O-N 3.32Å
586	F	97.9	Very high	98	Very high	69 Å²	69	56 Å²	56	30%	0.303	25%	0.246	S	C	.	.	H	α-helix	trans	-60	-41.3	174.3	-72.7	-5.2	0	0	0	111.7	I582 M583 Q589 G590 M603 C604	I582-F586 HydrophobicContact CD1-CD1 4.22Å; I582-F586 HydrophobicContact CD1-CE1 3.64Å; I582-F586 HydrophobicContact CD1-CZ 3.9Å; I582-F586 HydrophobicContact CG1-CD1 4.34Å; I582-F586 HydrophobicContact CG1-CD2 4.46Å; I582-F586 HydrophobicContact CG1-CE1 3.85Å; I582-F586 HydrophobicContact CG1-CE2 3.99Å; I582-F586 HydrophobicContact CG1-CZ 3.66Å; I582-F586 WeakPolarHBondContact O-CG 3.28Å; I582-F586 PolarHBondContact O-N 3.12Å; M583-F586 PolarHBondContact O-N 3.19Å; M583-F586 HydrophobicContact SD-CD2 4.34Å; F586-Q589 PolarHBondContact O-N 3.21Å; F586-G590 PolarHBondContact O-N 2.88Å; F586-M603 HydrophobicContact CD2-CB 4.1Å; F586-C604 WeakPolarHBondContact O-CA 3.5Å; F586-C604 VanDerWaalsContact O-CB 3.24Å; F586-C604 WeakPolarHBondContact O-CB 3.33Å
587	F	98	Very high	97.9	Very high	44 Å²	44	54 Å²	54	19%	0.193	26%	0.261	C	S	.	.	H	α-helix	trans	-67.1	-36.8	176.4	-60.8	-23.7	0	0	0	112.5	M583 E584 E585 G590 D591 K606 A609	M583-F587 HydrophobicContact CB-CE2 4.11Å; M583-F587 HydrophobicContact CB-CZ 4.26Å; M583-F587 HydrophobicContact CE-CD1 4.29Å; M583-F587 HydrophobicContact CE-CE1 3.35Å; M583-F587 HydrophobicContact CE-CE2 4.24Å; M583-F587 HydrophobicContact CE-CZ 3.33Å; M583-F587 WeakPolarHBondContact O-CB 3.2Å; M583-F587 WeakPolarHBondContact O-CD1 3.38Å; M583-F587 WeakPolarHBondContact O-CD2 3.22Å; M583-F587 WeakPolarHBondContact O-CG 3.42Å; M583-F587 PolarHBondContact O-N 2.87Å; E584-F587 PolarHBondContact O-N 3.28Å; E585-F587 VanDerWaalsContact C-N 3.3Å; E585-F587 PolarHBondContact O-N 2.9Å; F587-G590 PolarHBondContact O-N 3.26Å; F587-D591 WeakPolarHBondContact O-CB 3.16Å; F587-D591 VanDerWaalsContact O-CG 3.3Å; F587-D591 PolarHBondContact O-N 2.93Å; F587-K606 HydrophobicContact CB-CB 4.21Å; F587-K606 HydrophobicContact CD1-CB 3.73Å; F587-K606 HydrophobicContact CD2-CB 3.82Å; F587-K606 VanDerWaalsContact CE1-CA 3.49Å; F587-K606 HydrophobicContact CE1-CB 3.98Å; F587-K606 HydrophobicContact CE2-CB 4.05Å; F587-K606 HydrophobicContact CG-CB 3.65Å; F587-K606 HydrophobicContact CZ-CB 4.12Å; F587-A609 HydrophobicContact CE1-CB 3.7Å; F587-A609 HydrophobicContact CZ-CB 3.99Å
588	Q	98	Very high	97.7	Very high	55 Å²	55	53.3 Å²	53.3	26%	0.257	26%	0.258	S	S	.	.	H	α-helix	trans	-64.2	-38.8	172.4	-69.6	177.9	16.2	0	0	111.8	E584 E585 K592	E584-Q588 WeakPolarHBondContact O-CG 3.44Å; E584-Q588 PolarHBondContact O-N 2.89Å; E584-Q588 PolarHBondContact OE1-NE2 3.43Å; E585-Q588 WeakPolarHBondContact O-CB 3.5Å; E585-Q588 PolarHBondContact O-N 3.4Å; Q588-K592 WeakPolarHBondContact O-CG 3.04Å; Q588-K592 PolarHBondContact O-N 2.89Å; Q588-K592 VanDerWaalsContact O-N 3.12Å
589	Q	98.1	Very high	97.6	Very high	9 Å²	9	62 Å²	62	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-62.4	-46.8	171	-177.5	-178	-58.7	0	0	111.2	V453 S454 F457 E585 F586 D591 K592 E593	V453-Q589 HydrophobicContact CB-CG 4.33Å; V453-Q589 HydrophobicContact CG1-CB 4.21Å; V453-Q589 HydrophobicContact CG1-CG 3.98Å; S454-Q589 PolarHBondContact OG-NE2 2.92Å; S454-Q589 PolarHBondContact OG-OE1 3.36Å; F457-Q589 HydrophobicContact CD2-CG 3.95Å; F457-Q589 HydrophobicContact CE2-CG 4.45Å; F457-Q589 HydrophobicContact CG-CG 4.35Å; E585-Q589 PolarHBondContact O-N 3.32Å; F586-Q589 PolarHBondContact O-N 3.21Å; Q589-D591 VanDerWaalsContact C-N 3.29Å; Q589-D591 PolarHBondContact O-N 3.47Å; Q589-K592 CarbonylContact O-C 3.58Å; Q589-K592 WeakPolarHBondContact O-CA 3.33Å; Q589-K592 WeakPolarHBondContact O-CB 3.3Å; Q589-K592 PolarHBondContact O-N 2.88Å; Q589-E593 HydrophobicContact CG-CG 4.39Å; Q589-E593 PolarHBondContact NE2-OE1 3.16Å; Q589-E593 WeakPolarHBondContact O-CG 3.44Å; Q589-E593 PolarHBondContact O-N 2.99Å
590	G	97.8	Very high	97.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-34.2	179.3	0	0	0	0	0	113.4	F586 F587 E593 R594 C604	F586-G590 PolarHBondContact O-N 2.88Å; F587-G590 PolarHBondContact O-N 3.26Å; G590-E593 PolarHBondContact O-N 2.87Å; G590-R594 WeakPolarHBondContact O-CB 3.34Å; G590-R594 PolarHBondContact O-N 3.21Å; G590-C604 WeakPolarHBondContact CA-O 3.4Å
591	D	97.9	Very high	97.2	Very high	42 Å²	42	60.9 Å²	60.9	23%	0.225	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-44.9	171.1	-72.5	-13	0	0	0	110.7	F587 Q589 E593 R594 E595 K606	F587-D591 WeakPolarHBondContact O-CB 3.16Å; F587-D591 VanDerWaalsContact O-CG 3.3Å; F587-D591 PolarHBondContact O-N 2.93Å; Q589-D591 VanDerWaalsContact C-N 3.29Å; Q589-D591 PolarHBondContact O-N 3.47Å; D591-E593 PolarHBondContact O-N 3.05Å; D591-R594 PolarHBondContact O-N 3.07Å; D591-R594 IonicContact OD1-CZ 2.81Å; D591-R594 IonicContact OD1-NH1 3.78Å; D591-R594 PolarHBondContact OD1-NH1 2.86Å; D591-R594 IonicContact OD1-NH2 3.92Å; D591-E595 WeakPolarHBondContact O-CG 3.49Å; D591-E595 PolarHBondContact O-N 3.46Å; D591-K606 VanDerWaalsContact CG-NZ 3.34Å; D591-K606 IonicContact OD1-NZ 3.78Å; D591-K606 PolarHBondContact OD1-NZ 3.37Å; D591-K606 IonicContact OD2-NZ 3.46Å; D591-K606 PolarHBondContact OD2-NZ 2.74Å
592	K	97.6	Very high	96.8	Very high	63 Å²	63	62.9 Å²	62.9	27%	0.274	32%	0.318	S	S	.	.	H	α-helix	trans	-62.6	-38.2	173.9	-66.7	167	-174.2	169.3	0	112.7	V453 F457 Q588 Q589 R596	V453-K592 HydrophobicContact CG1-CD 3.88Å; F457-K592 HydrophobicContact CE2-CB 4.13Å; F457-K592 HydrophobicContact CZ-CB 4Å; Q588-K592 WeakPolarHBondContact O-CG 3.04Å; Q588-K592 PolarHBondContact O-N 2.89Å; Q588-K592 VanDerWaalsContact O-N 3.12Å; Q589-K592 CarbonylContact O-C 3.58Å; Q589-K592 WeakPolarHBondContact O-CA 3.33Å; Q589-K592 WeakPolarHBondContact O-CB 3.3Å; Q589-K592 PolarHBondContact O-N 2.88Å; K592-R596 VanDerWaalsContact O-CG 3.29Å; K592-R596 WeakPolarHBondContact O-CG 3.4Å; K592-R596 PolarHBondContact O-N 3.31Å
593	E	98.2	Very high	96.3	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-65.6	-44.8	175.9	-72.3	169.1	162.5	0	0	111.1	F457 Q589 G590 D591 E595 R596 G597 M598 I600 S601	F457-E593 HydrophobicContact CD2-CG 3.61Å; F457-E593 HydrophobicContact CE2-CG 3.65Å; Q589-E593 HydrophobicContact CG-CG 4.39Å; Q589-E593 PolarHBondContact NE2-OE1 3.16Å; Q589-E593 WeakPolarHBondContact O-CG 3.44Å; Q589-E593 PolarHBondContact O-N 2.99Å; G590-E593 PolarHBondContact O-N 2.87Å; D591-E593 PolarHBondContact O-N 3.05Å; E593-E595 PolarHBondContact O-N 2.62Å; E593-R596 CarbonylContact O-C 3.58Å; E593-R596 PolarHBondContact O-N 2.92Å; E593-R596 VanDerWaalsContact O-N 3.16Å; E593-G597 PolarHBondContact O-N 3.11Å; E593-G597 VanDerWaalsContact O-N 3.16Å; E593-M598 HydrophobicContact CB-CB 4.26Å; E593-M598 PolarHBondContact O-N 3.32Å; E593-I600 WeakPolarHBondContact OE2-CA 3.48Å; E593-S601 WeakPolarHBondContact OE1-CB 3.29Å; E593-S601 PolarHBondContact OE1-OG 3.31Å; E593-S601 PolarHBondContact OE2-N 3.16Å
594	R	96.7	Very high	96.1	Very high	96 Å²	96	64.1 Å²	64.1	36%	0.362	32%	0.324	S	S	.	.	H	α-helix	trans	-61	-43.9	176.7	-166.8	-177.4	-56.6	106.1	-0.8	111.8	G590 D591 R596 G597 I600 D605	G590-R594 WeakPolarHBondContact O-CB 3.34Å; G590-R594 PolarHBondContact O-N 3.21Å; D591-R594 PolarHBondContact O-N 3.07Å; D591-R594 IonicContact OD1-CZ 2.81Å; D591-R594 IonicContact OD1-NH1 3.78Å; D591-R594 PolarHBondContact OD1-NH1 2.86Å; D591-R594 IonicContact OD1-NH2 3.92Å; R594-R596 PolarHBondContact O-N 2.89Å; R594-G597 PolarHBondContact O-N 2.83Å; R594-G597 VanDerWaalsContact O-N 3.17Å; R594-I600 HydrophobicContact CB-CD1 4.19Å; R594-I600 HydrophobicContact CB-CG1 4.48Å; R594-I600 HydrophobicContact CG-CD1 4.4Å; R594-D605 IonicContact NH2-OD1 2.7Å; R594-D605 PolarHBondContact NH2-OD1 3.4Å; R594-D605 VanDerWaalsContact NH2-OD1 3.15Å
595	E	97.2	Very high	96	Very high	164 Å²	164	60.7 Å²	60.7	77%	0.766	31%	0.309	S	S	*	.	H	α-helix	trans	-61	-33	176	-74.7	173.3	-175.9	0	0	112.9	D591 E593 G597	D591-E595 WeakPolarHBondContact O-CG 3.49Å; D591-E595 PolarHBondContact O-N 3.46Å; E593-E595 PolarHBondContact O-N 2.62Å; E595-G597 VanDerWaalsContact C-N 3.34Å
596	R	96.4	Very high	95.7	Very high	138 Å²	138	64.7 Å²	64.7	52%	0.521	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-1.7	179.1	-68.2	174.8	-174.2	-163.3	0.4	113.6	T461 K592 E593 R594 M598	T461-R596 VanDerWaalsContact CB-NH1 3.27Å; K592-R596 VanDerWaalsContact O-CG 3.29Å; K592-R596 WeakPolarHBondContact O-CG 3.4Å; K592-R596 PolarHBondContact O-N 3.31Å; E593-R596 CarbonylContact O-C 3.58Å; E593-R596 PolarHBondContact O-N 2.92Å; E593-R596 VanDerWaalsContact O-N 3.16Å; R594-R596 PolarHBondContact O-N 2.89Å; R596-M598 HydrophobicContact CB-CG 3.95Å; R596-M598 HydrophobicContact CB-SD 3.92Å; R596-M598 PolarHBondContact O-N 3.2Å
597	G	96.1	Very high	95.4	Very high	71 Å²	71	68.1 Å²	68.1	73%	0.732	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	28	-175.8	0	0	0	0	0	113.2	E593 R594 E595	E593-G597 PolarHBondContact O-N 3.11Å; E593-G597 VanDerWaalsContact O-N 3.16Å; R594-G597 PolarHBondContact O-N 2.83Å; R594-G597 VanDerWaalsContact O-N 3.17Å; E595-G597 VanDerWaalsContact C-N 3.34Å
598	M	96.2	Very high	95.1	Very high	49 Å²	49	71.2 Å²	71.2	24%	0.241	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-87.1	158.7	174.8	-64	171.7	59.6	0	0	110.2	F457 N460 T461 E593 R596 I600	F457-M598 HydrophobicContact CD2-CE 4.49Å; N460-M598 HydrophobicContact CB-CE 3.55Å; T461-M598 HydrophobicContact CG2-CE 3.89Å; T461-M598 HydrophobicContact CG2-SD 3.54Å; T461-M598 VanDerWaalsContact CG2-SD 3.54Å; E593-M598 HydrophobicContact CB-CB 4.26Å; E593-M598 PolarHBondContact O-N 3.32Å; R596-M598 HydrophobicContact CB-CG 3.95Å; R596-M598 HydrophobicContact CB-SD 3.92Å; R596-M598 PolarHBondContact O-N 3.2Å; M598-I600 PolarHBondContact O-N 3.37Å
599	E	95.2	Very high	94.6	Very high	183 Å²	183	69.9 Å²	69.9	86%	0.855	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-62.8	129.4	164.8	-174.1	173.2	-174.7	0	0	108.7	S601	E599-S601 PolarHBondContact O-N 2.93Å
600	I	96	Very high	94.3	Very high	47 Å²	47	71.8 Å²	71.8	24%	0.241	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-72.6	127.7	-179	-57.7	172.7	0	0	0	108.1	E593 R594 M598 C604 D605	E593-I600 WeakPolarHBondContact OE2-CA 3.48Å; R594-I600 HydrophobicContact CB-CD1 4.19Å; R594-I600 HydrophobicContact CB-CG1 4.48Å; R594-I600 HydrophobicContact CG-CD1 4.4Å; M598-I600 PolarHBondContact O-N 3.37Å; I600-C604 HydrophobicContact CG2-CB 3.91Å; I600-D605 HydrophobicContact CD1-CB 4.39Å; I600-D605 HydrophobicContact CG2-CB 3.83Å
601	S	92.8	Very high	94.1	Very high	31 Å²	31	73.4 Å²	73.4	22%	0.217	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-59	149.2	179.7	-71.3	0	0	0	0	111.1	E593 E599 M603 C604	E593-S601 WeakPolarHBondContact OE1-CB 3.29Å; E593-S601 PolarHBondContact OE1-OG 3.31Å; E593-S601 PolarHBondContact OE2-N 3.16Å; E599-S601 PolarHBondContact O-N 2.93Å; S601-M603 PolarHBondContact O-N 3.07Å; S601-C604 VanDerWaalsContact O-CB 3.32Å; S601-C604 WeakPolarHBondContact O-CB 3.24Å; S601-C604 PolarHBondContact O-N 3.09Å
602	P	90.4	Very high	93.9	Very high	119 Å²	119	74 Å²	74	77%	0.773	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	142.5	171.9	-25.7	34.4	0	0	0	111.1	C604	P602-C604 PolarHBondContact O-N 3.46Å
603	M	88.2	Confident	93.8	Very high	54 Å²	54	76.2 Å²	76.2	27%	0.266	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	-9	-176.1	-58.6	-57.6	-59.8	0	0	116.9	M583 F586 S601 A609 S614	M583-M603 HydrophobicContact CE-CE 3.85Å; M583-M603 HydrophobicContact SD-CE 4.03Å; F586-M603 HydrophobicContact CD2-CB 4.1Å; S601-M603 PolarHBondContact O-N 3.07Å; M603-A609 HydrophobicContact CE-CB 4.35Å; M603-S614 WeakPolarHBondContact CE-OG 3.42Å; M603-S614 PolarHBondContact SD-OG 3.16Å
604	C	93.7	Very high	93.5	Very high	5 Å²	5	77.8 Å²	77.8	3%	0.034	41%	0.41	C	S	.	.			trans	-89.1	-10.5	-177.6	-61.8	0	0	0	0	113.4	F586 G590 I600 S601 P602	F586-C604 WeakPolarHBondContact O-CA 3.5Å; F586-C604 VanDerWaalsContact O-CB 3.24Å; F586-C604 WeakPolarHBondContact O-CB 3.33Å; G590-C604 WeakPolarHBondContact CA-O 3.4Å; I600-C604 HydrophobicContact CG2-CB 3.91Å; S601-C604 VanDerWaalsContact O-CB 3.32Å; S601-C604 WeakPolarHBondContact O-CB 3.24Å; S601-C604 PolarHBondContact O-N 3.09Å; P602-C604 PolarHBondContact O-N 3.46Å
605	D	94.3	Very high	93.5	Very high	29 Å²	29	74 Å²	74	16%	0.155	40%	0.397	C	S	.	.			trans	-92	106.1	175.5	-175.2	22.9	0	0	0	112.2	R594 I600 H607 T608 A609	R594-D605 IonicContact NH2-OD1 2.7Å; R594-D605 PolarHBondContact NH2-OD1 3.4Å; R594-D605 VanDerWaalsContact NH2-OD1 3.15Å; I600-D605 HydrophobicContact CD1-CB 4.39Å; I600-D605 HydrophobicContact CG2-CB 3.83Å; D605-H607 PolarHBondContact O-N 3.43Å; D605-H607 IonicContact OD1-CD2 2.98Å; D605-H607 PolarHBondContact OD1-CD2 2.7Å; D605-H607 IonicContact OD1-CG 3.91Å; D605-H607 PolarHBondContact OD1-N 3.16Å; D605-T608 WeakPolarHBondContact CB-OG1 3.31Å; D605-T608 PolarHBondContact O-N 3.35Å; D605-T608 WeakPolarHBondContact OD2-CG2 3.33Å; D605-T608 PolarHBondContact OD2-OG1 3.44Å; D605-A609 WeakPolarHBondContact O-CB 3.37Å; D605-A609 PolarHBondContact O-N 2.96Å
606	K	92.8	Very high	93.5	Very high	90 Å²	90	66.6 Å²	66.6	39%	0.391	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-17.5	178.3	67.6	-166.5	173.2	-152	0	115.2	F587 D591	F587-K606 HydrophobicContact CB-CB 4.21Å; F587-K606 HydrophobicContact CD1-CB 3.73Å; F587-K606 HydrophobicContact CD2-CB 3.82Å; F587-K606 VanDerWaalsContact CE1-CA 3.49Å; F587-K606 HydrophobicContact CE1-CB 3.98Å; F587-K606 HydrophobicContact CE2-CB 4.05Å; F587-K606 HydrophobicContact CG-CB 3.65Å; F587-K606 HydrophobicContact CZ-CB 4.12Å; D591-K606 VanDerWaalsContact CG-NZ 3.34Å; D591-K606 IonicContact OD1-NZ 3.78Å; D591-K606 PolarHBondContact OD1-NZ 3.37Å; D591-K606 IonicContact OD2-NZ 3.46Å; D591-K606 PolarHBondContact OD2-NZ 2.74Å
607	H	91.8	Very high	93.4	Very high	141 Å²	141	61 Å²	61	65%	0.653	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-17	179.6	-58.8	-59.8	0	0	0	113.8	D605	D605-H607 PolarHBondContact O-N 3.43Å; D605-H607 IonicContact OD1-CD2 2.98Å; D605-H607 PolarHBondContact OD1-CD2 2.7Å; D605-H607 IonicContact OD1-CG 3.91Å; D605-H607 PolarHBondContact OD1-N 3.16Å
608	T	91.3	Very high	93.4	Very high	108 Å²	108	60.9 Å²	60.9	66%	0.663	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	-12.1	-174.8	57	0	0	0	0	113.8	D605 S610	D605-T608 WeakPolarHBondContact CB-OG1 3.31Å; D605-T608 PolarHBondContact O-N 3.35Å; D605-T608 WeakPolarHBondContact OD2-CG2 3.33Å; D605-T608 PolarHBondContact OD2-OG1 3.44Å; T608-S610 PolarHBondContact O-N 3.4Å
609	A	87.9	Confident	93.4	Very high	28 Å²	28	58.6 Å²	58.6	23%	0.231	32%	0.316	C	S	.	.			trans	-63.4	129.7	179.4	0	0	0	0	0	112.6	M583 F587 M603 D605	M583-A609 HydrophobicContact CE-CB 4.14Å; F587-A609 HydrophobicContact CE1-CB 3.7Å; F587-A609 HydrophobicContact CZ-CB 3.99Å; M603-A609 HydrophobicContact CE-CB 4.35Å; D605-A609 WeakPolarHBondContact O-CB 3.37Å; D605-A609 PolarHBondContact O-N 2.96Å
610	S	91.8	Very high	93.5	Very high	48 Å²	48	52.9 Å²	52.9	34%	0.336	29%	0.291	S	S	.	.			trans	-102.4	91.8	167.3	64.5	0	0	0	0	109.7	T608 E612 K613 S614	T608-S610 PolarHBondContact O-N 3.4Å; S610-E612 VanDerWaalsContact C-N 3.34Å; S610-E612 PolarHBondContact O-N 3.27Å; S610-K613 WeakPolarHBondContact OG-CB 3.46Å; S610-S614 WeakPolarHBondContact O-CB 3.4Å; S610-S614 PolarHBondContact O-N 3.1Å; S610-S614 VanDerWaalsContact O-N 3.11Å; S610-S614 PolarHBondContact O-OG 3.01Å
611	V	93.7	Very high	93.3	Very high	34 Å²	34	59 Å²	59	21%	0.206	31%	0.313	C	S	.	.	H	α-helix	trans	-55.8	-49.1	-172.4	179.8	0	0	0	0	111.2	T579 M583 S614 Q615	T579-V611 HydrophobicContact CG2-CG1 3.67Å; M583-V611 HydrophobicContact CE-CG2 4.09Å; M583-V611 HydrophobicContact CG-CG1 3.93Å; M583-V611 HydrophobicContact CG-CG2 4.05Å; M583-V611 HydrophobicContact SD-CG1 4.39Å; M583-V611 HydrophobicContact SD-CG2 4.3Å; V611-S614 PolarHBondContact O-N 3.39Å; V611-Q615 HydrophobicContact CG1-CG 4.41Å; V611-Q615 WeakPolarHBondContact O-CG 3.45Å; V611-Q615 PolarHBondContact O-N 2.64Å
612	E	94.8	Very high	93.4	Very high	56 Å²	56	59.3 Å²	59.3	26%	0.262	31%	0.312	S	S	.	.	H	α-helix	trans	-67.2	-45.8	-172.3	-55.2	80.3	-176.9	0	0	112.2	S610 S614 Q615 V616 Y652 M655 I656	S610-E612 VanDerWaalsContact C-N 3.34Å; S610-E612 PolarHBondContact O-N 3.27Å; E612-S614 PolarHBondContact O-N 3.38Å; E612-Q615 PolarHBondContact O-N 3.37Å; E612-V616 WeakPolarHBondContact O-CG2 3.42Å; E612-V616 PolarHBondContact O-N 2.67Å; E612-Y652 HydrophobicContact CB-CD1 4.27Å; E612-Y652 HydrophobicContact CG-CD1 4.31Å; E612-M655 HydrophobicContact CG-CB 4.01Å; E612-I656 HydrophobicContact CB-CG1 3.68Å
613	K	93.7	Very high	93.7	Very high	109 Å²	109	53.7 Å²	53.7	47%	0.474	28%	0.275	S	S	.	.	H	α-helix	trans	-61.3	-37.5	176.1	-66.4	-177.6	178.4	177.4	0	111.3	S610 V616 G617 I656	S610-K613 WeakPolarHBondContact OG-CB 3.46Å; K613-V616 PolarHBondContact O-N 3.09Å; K613-G617 PolarHBondContact O-N 2.85Å; K613-I656 HydrophobicContact CD-CG2 4.37Å; K613-I656 HydrophobicContact CG-CD1 3.86Å; K613-I656 HydrophobicContact CG-CG1 3.92Å; K613-I656 HydrophobicContact CG-CG2 3.85Å
614	S	93.3	Very high	94.1	Very high	33 Å²	33	53.3 Å²	53.3	23%	0.231	27%	0.272	C	S	.	.	H	α-helix	trans	-73.5	-35.6	-179.3	-60.9	0	0	0	0	112.5	M603 S610 V611 E612 G617 F618	M603-S614 WeakPolarHBondContact CE-OG 3.42Å; M603-S614 PolarHBondContact SD-OG 3.16Å; S610-S614 WeakPolarHBondContact O-CB 3.4Å; S610-S614 PolarHBondContact O-N 3.1Å; S610-S614 VanDerWaalsContact O-N 3.11Å; S610-S614 PolarHBondContact O-OG 3.01Å; V611-S614 PolarHBondContact O-N 3.39Å; E612-S614 PolarHBondContact O-N 3.38Å; S614-G617 PolarHBondContact O-N 3.05Å; S614-F618 WeakPolarHBondContact O-CB 3.47Å; S614-F618 PolarHBondContact O-N 3.34Å
615	Q	97.1	Very high	94.3	Very high	17 Å²	17	54.4 Å²	54.4	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-64	-42.3	170.6	-66.5	-52.4	-82.4	0	0	111.4	Y575 T579 V611 E612 F618 I619 Y652	Y575-Q615 PolarHBondContact OH-OE1 2.94Å; T579-Q615 HydrophobicContact CG2-CG 3.73Å; T579-Q615 PolarHBondContact OG1-OE1 3.46Å; T579-Q615 VanDerWaalsContact OG1-OE1 3.06Å; V611-Q615 HydrophobicContact CG1-CG 4.41Å; V611-Q615 WeakPolarHBondContact O-CG 3.45Å; V611-Q615 PolarHBondContact O-N 2.64Å; E612-Q615 PolarHBondContact O-N 3.37Å; Q615-F618 PolarHBondContact O-N 2.86Å; Q615-I619 VanDerWaalsContact O-CG1 3.32Å; Q615-I619 WeakPolarHBondContact O-CG1 3.43Å; Q615-I619 PolarHBondContact O-N 3.01Å; Q615-Y652 HydrophobicContact CB-CD1 3.82Å; Q615-Y652 HydrophobicContact CB-CD2 4.29Å; Q615-Y652 HydrophobicContact CB-CE1 4.11Å; Q615-Y652 HydrophobicContact CB-CG 3.9Å; Q615-Y652 HydrophobicContact CG-CD1 3.94Å; Q615-Y652 HydrophobicContact CG-CE1 3.71Å; Q615-Y652 HydrophobicContact CG-CG 4.42Å
616	V	96.8	Very high	94.5	Very high	9 Å²	9	53 Å²	53	6%	0.055	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-49.9	174.6	172.3	0	0	0	0	111.2	E612 K613 F618 I619 D620 R649 Q653 I656	E612-V616 WeakPolarHBondContact O-CG2 3.42Å; E612-V616 PolarHBondContact O-N 2.67Å; K613-V616 PolarHBondContact O-N 3.09Å; V616-F618 VanDerWaalsContact C-N 3.34Å; V616-F618 PolarHBondContact O-N 3.4Å; V616-I619 PolarHBondContact O-N 3.4Å; V616-D620 PolarHBondContact O-N 3.43Å; V616-R649 VanDerWaalsContact CG1-CZ 3.48Å; V616-R649 VanDerWaalsContact CG1-NH2 3.28Å; V616-Q653 HydrophobicContact CG2-CB 4.03Å; V616-I656 HydrophobicContact CG2-CD1 4.22Å
617	G	92.9	Very high	94.8	Very high	21 Å²	21	48.7 Å²	48.7	22%	0.216	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-40.4	178	0	0	0	0	0	112.7	K613 S614 I619 D620 Y621	K613-G617 PolarHBondContact O-N 2.85Å; S614-G617 PolarHBondContact O-N 3.05Å; G617-I619 VanDerWaalsContact C-N 3.32Å; G617-I619 PolarHBondContact O-N 3.37Å; G617-D620 PolarHBondContact O-N 3.13Å; G617-Y621 WeakPolarHBondContact O-CB 3.29Å; G617-Y621 WeakPolarHBondContact O-CD2 3.37Å; G617-Y621 PolarHBondContact O-N 2.95Å
618	F	96.3	Very high	95	Very high	68 Å²	68	46.3 Å²	46.3	30%	0.298	24%	0.243	S	C	.	.	H	α-helix	trans	-61.1	-41.8	175.3	177.9	-122.9	0	0	0	111.9	L565 P568 S614 Q615 V616 I622 V623	L565-F618 HydrophobicContact CD2-CE2 4.43Å; L565-F618 HydrophobicContact CD2-CZ 3.88Å; P568-F618 HydrophobicContact CG-CD1 4.32Å; P568-F618 HydrophobicContact CG-CE1 4.02Å; S614-F618 WeakPolarHBondContact O-CB 3.47Å; S614-F618 PolarHBondContact O-N 3.34Å; Q615-F618 PolarHBondContact O-N 2.86Å; V616-F618 VanDerWaalsContact C-N 3.34Å; V616-F618 PolarHBondContact O-N 3.4Å; F618-I622 HydrophobicContact CD2-CB 3.97Å; F618-I622 HydrophobicContact CD2-CG1 4.15Å; F618-I622 HydrophobicContact CD2-CG2 4.33Å; F618-I622 HydrophobicContact CE2-CB 4.04Å; F618-I622 HydrophobicContact CE2-CG1 4.46Å; F618-I622 HydrophobicContact CE2-CG2 3.88Å; F618-I622 WeakPolarHBondContact O-CB 3.35Å; F618-I622 PolarHBondContact O-N 3.14Å; F618-I622 VanDerWaalsContact O-N 3.08Å; F618-V623 HydrophobicContact CD1-CG2 3.71Å; F618-V623 HydrophobicContact CD2-CG2 4.25Å; F618-V623 HydrophobicContact CE1-CG2 3.34Å; F618-V623 HydrophobicContact CE2-CG2 3.92Å; F618-V623 HydrophobicContact CG-CG2 4.16Å; F618-V623 HydrophobicContact CZ-CG2 3.47Å; F618-V623 VanDerWaalsContact CZ-CG2 3.47Å; F618-V623 PolarHBondContact O-N 3.35Å; F618-V623 VanDerWaalsContact O-N 3.1Å
619	I	97.7	Very high	95.3	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.214	C	C	.	.	I	π-helix	trans	-64.9	-54.4	175.2	-65.7	167.8	0	0	0	110.8	P568 Y575 Q615 V616 G617 Y621 V623 H624 L645 R649	P568-I619 HydrophobicContact CB-CD1 4.07Å; P568-I619 HydrophobicContact CB-CG1 3.95Å; P568-I619 HydrophobicContact CG-CG1 4.44Å; Y575-I619 HydrophobicContact CE1-CD1 4.24Å; Q615-I619 VanDerWaalsContact O-CG1 3.32Å; Q615-I619 WeakPolarHBondContact O-CG1 3.43Å; Q615-I619 PolarHBondContact O-N 3.01Å; V616-I619 PolarHBondContact O-N 3.4Å; G617-I619 VanDerWaalsContact C-N 3.32Å; G617-I619 PolarHBondContact O-N 3.37Å; I619-Y621 VanDerWaalsContact C-N 3.32Å; I619-Y621 PolarHBondContact O-N 3.09Å; I619-V623 PolarHBondContact O-N 3.04Å; I619-H624 HydrophobicContact CG2-CB 4.02Å; I619-H624 WeakPolarHBondContact O-CB 3.3Å; I619-H624 PolarHBondContact O-N 3.32Å; I619-L645 HydrophobicContact CD1-CD1 4.18Å; I619-L645 HydrophobicContact CG1-CD1 4.04Å; I619-L645 HydrophobicContact CG2-CD1 3.72Å; I619-L645 HydrophobicContact CG2-CD2 4.46Å; I619-L645 HydrophobicContact CG2-CG 4.04Å; I619-R649 HydrophobicContact CB-CB 4.48Å; I619-R649 HydrophobicContact CB-CG 4.16Å; I619-R649 HydrophobicContact CD1-CB 3.76Å; I619-R649 HydrophobicContact CD1-CG 4.17Å; I619-R649 HydrophobicContact CG2-CB 3.97Å; I619-R649 HydrophobicContact CG2-CG 3.83Å
620	D	96.1	Very high	95.8	Very high	62 Å²	62	40.3 Å²	40.3	33%	0.332	20%	0.203	S	C	.	.	I	π-helix	trans	-61.8	-37.7	-173.5	-68.9	-11.7	0	0	0	112.9	V616 G617 P625 R649	V616-D620 PolarHBondContact O-N 3.43Å; G617-D620 PolarHBondContact O-N 3.13Å; D620-P625 WeakPolarHBondContact O-CD 3.39Å; D620-P625 WeakPolarHBondContact O-CG 3.49Å; D620-R649 IonicContact OD1-CZ 3.44Å; D620-R649 IonicContact OD1-NE 2.69Å; D620-R649 PolarHBondContact OD1-NE 3.02Å; D620-R649 IonicContact OD1-NH2 3.32Å; D620-R649 PolarHBondContact OD1-NH2 3.3Å; D620-R649 IonicContact OD2-CZ 2.85Å; D620-R649 IonicContact OD2-NE 3.96Å; D620-R649 IonicContact OD2-NH2 3.23Å; D620-R649 PolarHBondContact OD2-NH2 3.2Å
621	Y	91.5	Very high	96	Very high	176 Å²	176	38.4 Å²	38.4	69%	0.69	19%	0.19	S	C	*	.	I	π-helix	trans	-99.4	-21.1	-172.1	-64.2	-62.9	0	0	0	115	G617 I619	G617-Y621 WeakPolarHBondContact O-CB 3.29Å; G617-Y621 WeakPolarHBondContact O-CD2 3.37Å; G617-Y621 PolarHBondContact O-N 2.95Å; I619-Y621 VanDerWaalsContact C-N 3.32Å; I619-Y621 PolarHBondContact O-N 3.09Å
622	I	94.8	Very high	96.1	Very high	38 Å²	38	39.9 Å²	39.9	20%	0.195	20%	0.197	C	C	.	.	I	π-helix	trans	-125.9	-58.6	-172.9	-54.9	-64.9	0	0	0	111.5	M519 H522 M523 L565 F618 L626	M519-I622 HydrophobicContact CE-CG2 4.12Å; H522-I622 VanDerWaalsContact CE1-CG2 3.46Å; H522-I622 WeakPolarHBondContact CE1-CG2 3.45Å; H522-I622 PolarHBondContact CE1-O 2.95Å; M523-I622 HydrophobicContact CE-CD1 3.81Å; L565-I622 HydrophobicContact CD1-CG2 4.24Å; F618-I622 HydrophobicContact CD2-CB 3.97Å; F618-I622 HydrophobicContact CD2-CG1 4.15Å; F618-I622 HydrophobicContact CD2-CG2 4.33Å; F618-I622 HydrophobicContact CE2-CB 4.04Å; F618-I622 HydrophobicContact CE2-CG1 4.46Å; F618-I622 HydrophobicContact CE2-CG2 3.88Å; F618-I622 WeakPolarHBondContact O-CB 3.35Å; F618-I622 PolarHBondContact O-N 3.14Å; F618-I622 VanDerWaalsContact O-N 3.08Å; I622-L626 WeakPolarHBondContact O-CB 3.45Å; I622-L626 PolarHBondContact O-N 3.43Å
623	V	97.7	Very high	96.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	I	π-helix	trans	-77	-46.5	-168.3	-176.9	0	0	0	0	111.7	P568 T569 F618 I619 L626 W627 L645	P568-V623 HydrophobicContact CB-CG1 4.23Å; P568-V623 HydrophobicContact CG-CG1 4.15Å; P568-V623 HydrophobicContact CG-CG2 4.19Å; T569-V623 HydrophobicContact CG2-CG1 4.42Å; F618-V623 HydrophobicContact CD1-CG2 3.71Å; F618-V623 HydrophobicContact CD2-CG2 4.25Å; F618-V623 HydrophobicContact CE1-CG2 3.34Å; F618-V623 HydrophobicContact CE2-CG2 3.92Å; F618-V623 HydrophobicContact CG-CG2 4.16Å; F618-V623 HydrophobicContact CZ-CG2 3.47Å; F618-V623 VanDerWaalsContact CZ-CG2 3.47Å; F618-V623 PolarHBondContact O-N 3.35Å; F618-V623 VanDerWaalsContact O-N 3.1Å; I619-V623 PolarHBondContact O-N 3.04Å; V623-L626 PolarHBondContact O-N 3.43Å; V623-W627 VanDerWaalsContact CG1-CD1 3.47Å; V623-W627 WeakPolarHBondContact O-CB 3.41Å; V623-W627 VanDerWaalsContact O-CD1 3.31Å; V623-W627 PolarHBondContact O-N 2.7Å; V623-L645 HydrophobicContact CG1-CD1 3.97Å; V623-L645 HydrophobicContact CG1-CD2 4.17Å
624	H	97.2	Very high	96.2	Very high	46 Å²	46	32.2 Å²	32.2	21%	0.213	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-49.5	180	-172.5	-71.1	0	0	0	112.5	I619 L626 W627 E628 L645	I619-H624 HydrophobicContact CG2-CB 4.02Å; I619-H624 WeakPolarHBondContact O-CB 3.3Å; I619-H624 PolarHBondContact O-N 3.32Å; H624-L626 PolarHBondContact O-N 3.35Å; H624-W627 PolarHBondContact O-N 3.3Å; H624-E628 IonicContact CE1-OE2 3.27Å; H624-E628 IonicContact ND1-OE2 2.64Å; H624-E628 WeakPolarHBondContact O-CB 3.31Å; H624-E628 PolarHBondContact O-N 3.21Å; H624-L645 HydrophobicContact CB-CD2 4.09Å
625	P	97.6	Very high	96.2	Very high	28 Å²	28	35.4 Å²	35.4	18%	0.182	17%	0.174	C	C	.	.	H	α-helix	trans	-58.5	-35.9	177.4	-25.6	35.7	0	0	0	113.6	L526 D620 T629	L526-P625 HydrophobicContact CD2-CB 4.16Å; D620-P625 WeakPolarHBondContact O-CD 3.39Å; D620-P625 WeakPolarHBondContact O-CG 3.49Å; P625-T629 WeakPolarHBondContact O-CB 3.5Å; P625-T629 PolarHBondContact O-N 2.92Å; P625-T629 PolarHBondContact O-OG1 3.23Å
626	L	97.7	Very high	96	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.4	-53	176.4	175.3	63.2	0	0	0	111.8	L526 L529 L565 I622 V623 H624 E628 T629 W630	L526-L626 HydrophobicContact CD1-CD1 4.46Å; L529-L626 HydrophobicContact CD2-CD1 4.18Å; L565-L626 HydrophobicContact CB-CD2 4.23Å; L565-L626 HydrophobicContact CD1-CD2 3.63Å; L565-L626 HydrophobicContact CG-CD2 4.5Å; I622-L626 WeakPolarHBondContact O-CB 3.45Å; I622-L626 PolarHBondContact O-N 3.43Å; V623-L626 PolarHBondContact O-N 3.43Å; H624-L626 PolarHBondContact O-N 3.35Å; L626-E628 VanDerWaalsContact C-N 3.34Å; L626-E628 PolarHBondContact O-N 2.92Å; L626-T629 PolarHBondContact O-N 3.47Å; L626-W630 WeakPolarHBondContact O-CB 3.39Å; L626-W630 PolarHBondContact O-N 2.92Å
627	W	98.4	Very high	95.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.9	-32.3	-177.8	-83.4	99.9	0	0	0	113	W348 L421 C562 L565 T569 V623 H624 W630 A631 I641 L642 L645	W348-W627 AromaticContact CH2-CH2 3.43Å; W348-W627 HydrophobicContact CH2-CH2 3.43Å; W348-W627 VanDerWaalsContact CH2-CH2 3.43Å; W348-W627 AromaticContact CH2-CZ2 3.9Å; W348-W627 HydrophobicContact CH2-CZ2 3.9Å; W348-W627 AromaticContact CZ2-CH2 3.37Å; W348-W627 HydrophobicContact CZ2-CH2 3.37Å; W348-W627 AromaticContact CZ2-CZ2 3.63Å; W348-W627 HydrophobicContact CZ2-CZ2 3.63Å; W348-W627 HydrophobicContact CZ2-CZ3 4.38Å; W348-W627 HydrophobicContact CZ3-CH2 4.48Å; L421-W627 HydrophobicContact CD1-CH2 4.25Å; L421-W627 HydrophobicContact CD2-CH2 4.05Å; L421-W627 HydrophobicContact CD2-CZ3 4.16Å; C562-W627 HydrophobicContact CB-CH2 4.12Å; C562-W627 HydrophobicContact CB-CZ2 3.93Å; C562-W627 WeakPolarHBondContact O-CZ2 3.34Å; L565-W627 PolarHBondContact O-NE1 3.11Å; T569-W627 HydrophobicContact CG2-CD2 3.94Å; T569-W627 HydrophobicContact CG2-CG 3.94Å; T569-W627 HydrophobicContact CG2-CZ2 4.24Å; V623-W627 VanDerWaalsContact CG1-CD1 3.47Å; V623-W627 WeakPolarHBondContact O-CB 3.41Å; V623-W627 VanDerWaalsContact O-CD1 3.31Å; V623-W627 PolarHBondContact O-N 2.7Å; H624-W627 PolarHBondContact O-N 3.3Å; W627-W630 AromaticContact CE3-CD1 3.88Å; W627-W630 HydrophobicContact CE3-CG 4.41Å; W627-W630 AromaticContact CZ3-CD1 3.73Å; W627-W630 HydrophobicContact CZ3-CG 4.47Å; W627-W630 PolarHBondContact O-N 2.81Å; W627-A631 VanDerWaalsContact O-CB 3.28Å; W627-A631 WeakPolarHBondContact O-CB 3.39Å; W627-A631 PolarHBondContact O-N 2.98Å; W627-I641 HydrophobicContact CD2-CG2 4.06Å; W627-I641 HydrophobicContact CE3-CG2 3.63Å; W627-I641 HydrophobicContact CH2-CD1 4.23Å; W627-I641 HydrophobicContact CH2-CG2 4.07Å; W627-I641 HydrophobicContact CZ2-CG2 4.46Å; W627-I641 HydrophobicContact CZ3-CD1 3.81Å; W627-I641 HydrophobicContact CZ3-CG2 3.65Å; W627-L642 HydrophobicContact CB-CD2 3.9Å; W627-L645 HydrophobicContact CB-CD2 4.16Å
628	E	97.5	Very high	96	Very high	91 Å²	91	40.5 Å²	40.5	43%	0.425	20%	0.202	S	C	.	.	H	α-helix	trans	-62.7	-49.7	172.3	-178.3	178.4	-157.6	0	0	110.3	H624 L626 W630 A631 D632	H624-E628 IonicContact CE1-OE2 3.27Å; H624-E628 IonicContact ND1-OE2 2.64Å; H624-E628 WeakPolarHBondContact O-CB 3.31Å; H624-E628 PolarHBondContact O-N 3.21Å; L626-E628 VanDerWaalsContact C-N 3.34Å; L626-E628 PolarHBondContact O-N 2.92Å; E628-W630 VanDerWaalsContact C-N 3.32Å; E628-W630 PolarHBondContact O-N 2.95Å; E628-A631 PolarHBondContact O-N 2.89Å; E628-D632 PolarHBondContact O-N 2.91Å
629	T	96.7	Very high	96	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.055	20%	0.197	C	C	.	.	H	α-helix	trans	-63.9	-38.3	177.4	-50.2	0	0	0	0	111.4	L526 L529 K530 V533 P625 L626 D632 L633	L526-T629 HydrophobicContact CD1-CG2 4.39Å; L526-T629 WeakPolarHBondContact CD1-OG1 3.5Å; L529-T629 HydrophobicContact CB-CG2 4.18Å; L529-T629 HydrophobicContact CD2-CG2 3.84Å; L529-T629 HydrophobicContact CG-CG2 3.7Å; K530-T629 HydrophobicContact CB-CG2 4.34Å; K530-T629 HydrophobicContact CG-CG2 3.56Å; V533-T629 HydrophobicContact CG2-CG2 3.95Å; V533-T629 WeakPolarHBondContact CG2-O 3.37Å; P625-T629 WeakPolarHBondContact O-CB 3.5Å; P625-T629 PolarHBondContact O-N 2.92Å; P625-T629 PolarHBondContact O-OG1 3.23Å; L626-T629 PolarHBondContact O-N 3.47Å; T629-D632 PolarHBondContact O-N 3.42Å; T629-L633 PolarHBondContact O-N 2.93Å; T629-L633 VanDerWaalsContact O-N 3.12Å
630	W	97.9	Very high	96	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-46.5	173.8	178.6	-95.1	0	0	0	111.6	L421 L427 L529 V555 N558 M559 L626 W627 E628 D632 L633 V634	L421-W630 HydrophobicContact CB-CZ2 4.4Å; L421-W630 HydrophobicContact CD2-CZ2 4.15Å; L427-W630 HydrophobicContact CD1-CH2 4.13Å; L427-W630 HydrophobicContact CD1-CZ2 4.16Å; L529-W630 HydrophobicContact CD2-CB 4.49Å; V555-W630 HydrophobicContact CG1-CH2 4.17Å; V555-W630 HydrophobicContact CG1-CZ3 4.17Å; N558-W630 HydrophobicContact CB-CZ3 4.48Å; M559-W630 HydrophobicContact CB-CH2 3.68Å; M559-W630 HydrophobicContact CB-CZ3 4Å; M559-W630 HydrophobicContact CE-CH2 3.65Å; M559-W630 HydrophobicContact CE-CZ2 4.09Å; M559-W630 HydrophobicContact CG-CH2 3.87Å; M559-W630 HydrophobicContact CG-CZ2 4.32Å; L626-W630 WeakPolarHBondContact O-CB 3.39Å; L626-W630 PolarHBondContact O-N 2.92Å; W627-W630 AromaticContact CE3-CD1 3.88Å; W627-W630 HydrophobicContact CE3-CG 4.41Å; W627-W630 AromaticContact CZ3-CD1 3.73Å; W627-W630 HydrophobicContact CZ3-CG 4.47Å; W627-W630 PolarHBondContact O-N 2.81Å; E628-W630 VanDerWaalsContact C-N 3.32Å; E628-W630 PolarHBondContact O-N 2.95Å; W630-D632 VanDerWaalsContact C-N 3.3Å; W630-D632 PolarHBondContact O-N 2.99Å; W630-L633 WeakPolarHBondContact O-CA 3.5Å; W630-L633 VanDerWaalsContact O-CB 3.3Å; W630-L633 WeakPolarHBondContact O-CB 3.44Å; W630-L633 PolarHBondContact O-N 3.23Å; W630-V634 HydrophobicContact CZ2-CG1 4.24Å; W630-V634 WeakPolarHBondContact O-CG2 3.42Å; W630-V634 PolarHBondContact O-N 2.86Å
631	A	97.2	Very high	96.1	Very high	7 Å²	7	43.1 Å²	43.1	6%	0.058	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-35.3	178.3	0	0	0	0	0	112.5	W627 E628 L633 V634 Q635 A638 L642	W627-A631 VanDerWaalsContact O-CB 3.28Å; W627-A631 WeakPolarHBondContact O-CB 3.39Å; W627-A631 PolarHBondContact O-N 2.98Å; E628-A631 PolarHBondContact O-N 2.89Å; A631-L633 VanDerWaalsContact C-N 3.3Å; A631-L633 PolarHBondContact O-N 3.2Å; A631-V634 CarbonylContact O-C 3.5Å; A631-V634 PolarHBondContact O-N 3.03Å; A631-Q635 VanDerWaalsContact O-CA 3.22Å; A631-Q635 WeakPolarHBondContact O-CA 3.05Å; A631-Q635 WeakPolarHBondContact O-CB 2.84Å; A631-Q635 PolarHBondContact O-N 2.94Å; A631-A638 HydrophobicContact CB-CB 3.92Å; A631-L642 HydrophobicContact CB-CD1 3.39Å; A631-L642 HydrophobicContact CB-CG 4.04Å
632	D	96	Very high	96.4	Very high	66 Å²	66	35.4 Å²	35.4	35%	0.353	19%	0.188	S	C	.	.	H	α-helix	trans	-65.1	-34.1	171.8	-80.3	-17.5	0	0	0	112.2	V533 K536 E628 T629 W630	V533-D632 HydrophobicContact CG1-CB 3.86Å; V533-D632 HydrophobicContact CG2-CB 4.37Å; K536-D632 PolarHBondContact NZ-O 2.83Å; E628-D632 PolarHBondContact O-N 2.91Å; T629-D632 PolarHBondContact O-N 3.42Å; W630-D632 VanDerWaalsContact C-N 3.3Å; W630-D632 PolarHBondContact O-N 2.99Å
633	L	95.1	Very high	96.5	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-66.1	-49.2	175.3	-176.1	62.7	0	0	0	111.1	L529 M532 V533 K536 L544 V555 T629 W630 A631	L529-L633 HydrophobicContact CD1-CD2 3.71Å; M532-L633 HydrophobicContact CG-CD1 4.21Å; M532-L633 HydrophobicContact SD-CD1 4.37Å; M532-L633 HydrophobicContact SD-CD2 4.32Å; V533-L633 HydrophobicContact CG2-CB 3.82Å; V533-L633 HydrophobicContact CG2-CD1 4.26Å; K536-L633 HydrophobicContact CB-CD1 4.48Å; L544-L633 HydrophobicContact CD1-CD1 3.82Å; L544-L633 HydrophobicContact CD1-CD2 4.42Å; L544-L633 HydrophobicContact CD1-CG 3.72Å; L544-L633 HydrophobicContact CD2-CD1 4.08Å; V555-L633 HydrophobicContact CG2-CD2 4.25Å; T629-L633 PolarHBondContact O-N 2.93Å; T629-L633 VanDerWaalsContact O-N 3.12Å; W630-L633 WeakPolarHBondContact O-CA 3.5Å; W630-L633 VanDerWaalsContact O-CB 3.3Å; W630-L633 WeakPolarHBondContact O-CB 3.44Å; W630-L633 PolarHBondContact O-N 3.23Å; A631-L633 VanDerWaalsContact C-N 3.3Å; A631-L633 PolarHBondContact O-N 3.2Å
634	V	95.6	Very high	96.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-103.1	22.5	-173	-57.5	0	0	0	0	114.3	T424 A426 L427 L544 W630 A631 D637 A638	T424-V634 HydrophobicContact CG2-CB 3.74Å; T424-V634 HydrophobicContact CG2-CG1 4.05Å; T424-V634 HydrophobicContact CG2-CG2 4.02Å; A426-V634 HydrophobicContact CB-CB 3.93Å; A426-V634 HydrophobicContact CB-CG1 4.27Å; L427-V634 HydrophobicContact CD1-CG1 4.14Å; L427-V634 HydrophobicContact CG-CG1 4.17Å; L544-V634 HydrophobicContact CD1-CG1 4.34Å; W630-V634 HydrophobicContact CZ2-CG1 4.24Å; W630-V634 WeakPolarHBondContact O-CG2 3.42Å; W630-V634 PolarHBondContact O-N 2.86Å; A631-V634 CarbonylContact O-C 3.5Å; A631-V634 PolarHBondContact O-N 3.03Å; V634-D637 HydrophobicContact CG2-CB 4.46Å; V634-D637 WeakPolarHBondContact O-CB 3.3Å; V634-D637 PolarHBondContact O-N 2.94Å; V634-A638 HydrophobicContact CG2-CB 4Å
635	Q	91.4	Very high	96.6	Very high	100 Å²	100	36.7 Å²	36.7	47%	0.467	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	132.5	-176.3	-171.3	-178.1	21.2	0	0	111.7	A631	A631-Q635 VanDerWaalsContact O-CA 3.22Å; A631-Q635 WeakPolarHBondContact O-CA 3.05Å; A631-Q635 WeakPolarHBondContact O-CB 2.84Å; A631-Q635 PolarHBondContact O-N 2.94Å
636	P	93.9	Very high	96.7	Very high	94 Å²	94	39.6 Å²	39.6	61%	0.61	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	cis	-97.7	9.7	9	39	-35.7	0	0	0	115.4	A638 Q639	P636-A638 VanDerWaalsContact C-N 3.34Å; P636-A638 PolarHBondContact O-N 2.92Å; P636-Q639 PolarHBondContact O-N 3.22Å
637	D	93.2	Very high	96.7	Very high	56 Å²	56	45 Å²	45	30%	0.299	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-27.9	-156.7	-59.9	-28.5	0	0	0	114.9	T424 P425 A426 V634	T424-D637 HydrophobicContact CG2-CB 3.55Å; T424-D637 WeakPolarHBondContact CG2-OD2 3.48Å; P425-D637 VanDerWaalsContact CD-OD2 3.3Å; P425-D637 WeakPolarHBondContact CD-OD2 3.47Å; A426-D637 WeakPolarHBondContact CB-OD2 3.41Å; A426-D637 PolarHBondContact N-OD2 2.85Å; V634-D637 HydrophobicContact CG2-CB 4.46Å; V634-D637 WeakPolarHBondContact O-CB 3.3Å; V634-D637 PolarHBondContact O-N 2.94Å
638	A	95.7	Very high	96.7	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.025	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	14.2	-176.7	0	0	0	0	0	114.2	A631 V634 P636 D640 I641 L642	A631-A638 HydrophobicContact CB-CB 3.92Å; V634-A638 HydrophobicContact CG2-CB 4Å; P636-A638 VanDerWaalsContact C-N 3.34Å; P636-A638 PolarHBondContact O-N 2.92Å; A638-D640 PolarHBondContact O-N 3.06Å; A638-I641 HydrophobicContact CB-CD1 4.33Å; A638-I641 WeakPolarHBondContact O-CB 3.36Å; A638-I641 PolarHBondContact O-N 3.42Å; A638-L642 PolarHBondContact O-N 2.97Å
639	Q	96.9	Very high	96.7	Very high	44 Å²	44	43.4 Å²	43.4	21%	0.206	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-45.1	-177.5	-172.3	62.9	56.1	0	0	112.6	R44 P636 I641 L642 D643	R44-Q639 VanDerWaalsContact CZ-OE1 3.23Å; P636-Q639 PolarHBondContact O-N 3.22Å; Q639-I641 PolarHBondContact O-N 2.93Å; Q639-L642 WeakPolarHBondContact O-CB 3.5Å; Q639-L642 PolarHBondContact O-N 2.66Å; Q639-L642 VanDerWaalsContact O-N 3.07Å; Q639-D643 PolarHBondContact NE2-OD1 3.44Å; Q639-D643 PolarHBondContact O-N 3.37Å
640	D	97	Very high	96.8	Very high	123 Å²	123	47.1 Å²	47.1	66%	0.658	25%	0.248	S	C	*	.	H	α-helix	trans	-62.1	-30	179.8	-63.6	-18.2	0	0	0	112.1	A638 T644	A638-D640 PolarHBondContact O-N 3.06Å; D640-T644 WeakPolarHBondContact O-CB 3.42Å; D640-T644 PolarHBondContact O-N 3.05Å; D640-T644 PolarHBondContact O-OG1 3.45Å
641	I	98.2	Very high	96.8	Very high	20 Å²	20	50.1 Å²	50.1	10%	0.103	26%	0.26	C	S	.	.	H	α-helix	trans	-68.3	-43.9	175.9	-60.1	-179.8	0	0	0	110.2	W348 T569 W627 A638 Q639 L645	W348-I641 HydrophobicContact CD2-CD1 3.95Å; W348-I641 HydrophobicContact CD2-CG1 4.37Å; W348-I641 HydrophobicContact CE3-CD1 4.32Å; W348-I641 HydrophobicContact CG-CD1 4.33Å; W348-I641 HydrophobicContact CG-CG1 4.29Å; W348-I641 HydrophobicContact CZ2-CD1 4.19Å; W348-I641 HydrophobicContact CZ2-CG2 4.44Å; T569-I641 HydrophobicContact CG2-CG2 3.82Å; T569-I641 WeakPolarHBondContact OG1-CG2 3.37Å; W627-I641 HydrophobicContact CD2-CG2 4.06Å; W627-I641 HydrophobicContact CE3-CG2 3.63Å; W627-I641 HydrophobicContact CH2-CD1 4.23Å; W627-I641 HydrophobicContact CH2-CG2 4.07Å; W627-I641 HydrophobicContact CZ2-CG2 4.46Å; W627-I641 HydrophobicContact CZ3-CD1 3.81Å; W627-I641 HydrophobicContact CZ3-CG2 3.65Å; A638-I641 HydrophobicContact CB-CD1 4.33Å; A638-I641 WeakPolarHBondContact O-CB 3.36Å; A638-I641 PolarHBondContact O-N 3.42Å; Q639-I641 PolarHBondContact O-N 2.93Å; I641-L645 WeakPolarHBondContact O-CB 3.32Å; I641-L645 PolarHBondContact O-N 3.05Å
642	L	98	Very high	96.9	Very high	14 Å²	14	50.2 Å²	50.2	7%	0.073	26%	0.259	C	S	.	.	H	α-helix	trans	-65.7	-44	175.4	-77.6	178.9	0	0	0	112.2	W627 A631 A638 Q639 T644 L645 E646	W627-L642 HydrophobicContact CB-CD2 3.9Å; A631-L642 HydrophobicContact CB-CD1 3.39Å; A631-L642 HydrophobicContact CB-CG 4.04Å; A638-L642 PolarHBondContact O-N 2.97Å; Q639-L642 WeakPolarHBondContact O-CB 3.5Å; Q639-L642 PolarHBondContact O-N 2.66Å; Q639-L642 VanDerWaalsContact O-N 3.07Å; L642-T644 VanDerWaalsContact C-N 3.3Å; L642-T644 PolarHBondContact O-N 3.4Å; L642-L645 HydrophobicContact CD2-CD2 4.44Å; L642-L645 WeakPolarHBondContact O-CB 3.48Å; L642-L645 PolarHBondContact O-N 3.16Å; L642-L645 VanDerWaalsContact O-N 3.11Å; L642-E646 PolarHBondContact O-N 3.48Å
643	D	98.1	Very high	96.9	Very high	66 Å²	66	51.1 Å²	51.1	35%	0.353	26%	0.261	S	S	.	.	H	α-helix	trans	-60.2	-43.7	178.8	-65.7	-2.6	0	0	0	110.2	Q639 L645 E646 D647	Q639-D643 PolarHBondContact NE2-OD1 3.44Å; Q639-D643 PolarHBondContact O-N 3.37Å; D643-L645 VanDerWaalsContact C-N 3.35Å; D643-L645 PolarHBondContact O-N 3.32Å; D643-E646 PolarHBondContact O-N 2.92Å; D643-D647 PolarHBondContact O-N 2.77Å
644	T	98.4	Very high	97	Very high	44 Å²	44	55 Å²	55	27%	0.27	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-38.2	175.4	-55.1	0	0	0	0	112.3	T569 K570 D640 L642 D647 N648	T569-T644 WeakPolarHBondContact O-CG2 3.38Å; K570-T644 VanDerWaalsContact O-CG2 3.29Å; K570-T644 WeakPolarHBondContact O-CG2 3.46Å; D640-T644 WeakPolarHBondContact O-CB 3.42Å; D640-T644 PolarHBondContact O-N 3.05Å; D640-T644 PolarHBondContact O-OG1 3.45Å; L642-T644 VanDerWaalsContact C-N 3.3Å; L642-T644 PolarHBondContact O-N 3.4Å; T644-D647 PolarHBondContact O-N 3.16Å; T644-N648 WeakPolarHBondContact O-CB 3.32Å; T644-N648 VanDerWaalsContact O-CG 3.25Å; T644-N648 PolarHBondContact O-N 2.81Å; T644-N648 PolarHBondContact O-ND2 3Å
645	L	98.6	Very high	97	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.8	-45.1	176.3	178.7	60.3	0	0	0	111.7	P568 T569 I619 V623 H624 W627 I641 L642 D643 N648 R649	P568-L645 HydrophobicContact CB-CD1 3.61Å; P568-L645 WeakPolarHBondContact O-CD1 3.39Å; T569-L645 HydrophobicContact CG2-CB 4.16Å; T569-L645 HydrophobicContact CG2-CD1 4.11Å; T569-L645 HydrophobicContact CG2-CD2 4.26Å; T569-L645 HydrophobicContact CG2-CG 4.41Å; I619-L645 HydrophobicContact CD1-CD1 4.18Å; I619-L645 HydrophobicContact CG1-CD1 4.04Å; I619-L645 HydrophobicContact CG2-CD1 3.72Å; I619-L645 HydrophobicContact CG2-CD2 4.46Å; I619-L645 HydrophobicContact CG2-CG 4.04Å; V623-L645 HydrophobicContact CG1-CD1 3.97Å; V623-L645 HydrophobicContact CG1-CD2 4.17Å; H624-L645 HydrophobicContact CB-CD2 4.09Å; W627-L645 HydrophobicContact CB-CD2 4.16Å; I641-L645 WeakPolarHBondContact O-CB 3.32Å; I641-L645 PolarHBondContact O-N 3.05Å; L642-L645 HydrophobicContact CD2-CD2 4.44Å; L642-L645 WeakPolarHBondContact O-CB 3.48Å; L642-L645 PolarHBondContact O-N 3.16Å; L642-L645 VanDerWaalsContact O-N 3.11Å; D643-L645 VanDerWaalsContact C-N 3.35Å; D643-L645 PolarHBondContact O-N 3.32Å; L645-N648 PolarHBondContact O-N 3.16Å; L645-R649 VanDerWaalsContact O-CB 3.28Å; L645-R649 WeakPolarHBondContact O-CB 3.37Å; L645-R649 PolarHBondContact O-N 3.35Å
646	E	98.3	Very high	97	Very high	90 Å²	90	56.3 Å²	56.3	42%	0.421	30%	0.296	S	S	.	.	H	α-helix	trans	-62	-45.8	176	-71.9	-178.6	-165.1	0	0	111.4	L642 D643 N648 R649 N650	L642-E646 PolarHBondContact O-N 3.48Å; D643-E646 PolarHBondContact O-N 2.92Å; E646-N648 PolarHBondContact O-N 2.98Å; E646-R649 PolarHBondContact O-N 2.96Å; E646-N650 WeakPolarHBondContact O-CB 3.32Å; E646-N650 PolarHBondContact O-N 3.17Å; E646-N650 PolarHBondContact O-ND2 3.12Å; E646-N650 VanDerWaalsContact O-ND2 3.09Å
647	D	98.6	Very high	96.7	Very high	112 Å²	112	56.1 Å²	56.1	60%	0.599	30%	0.295	S	S	*	.	H	α-helix	trans	-59.6	-47.2	177.3	-78.5	-17.6	0	0	0	111.8	D643 T644 N650 W651	D643-D647 PolarHBondContact O-N 2.77Å; T644-D647 PolarHBondContact O-N 3.16Å; D647-N650 PolarHBondContact O-N 3.42Å; D647-W651 WeakPolarHBondContact O-CB 3.33Å; D647-W651 PolarHBondContact O-N 3.35Å
648	N	98.6	Very high	95.9	Very high	6 Å²	6	62.4 Å²	62.4	3%	0.032	32%	0.323	C	S	.	.	H	α-helix	trans	-63.4	-42.1	177.2	-75.9	-18.1	0	0	0	112	P568 K570 L572 Y575 T644 L645 E646 N650 W651 Y652	P568-N648 PolarHBondContact O-ND2 3.5Å; K570-N648 PolarHBondContact O-ND2 3.04Å; L572-N648 WeakPolarHBondContact CA-OD1 3.42Å; L572-N648 WeakPolarHBondContact CB-OD1 3.47Å; Y575-N648 HydrophobicContact CD1-CB 3.84Å; Y575-N648 HydrophobicContact CE1-CB 4.04Å; T644-N648 WeakPolarHBondContact O-CB 3.32Å; T644-N648 VanDerWaalsContact O-CG 3.25Å; T644-N648 PolarHBondContact O-N 2.81Å; T644-N648 PolarHBondContact O-ND2 3Å; L645-N648 PolarHBondContact O-N 3.16Å; E646-N648 PolarHBondContact O-N 2.98Å; N648-N650 VanDerWaalsContact C-N 3.35Å; N648-N650 PolarHBondContact O-N 3.44Å; N648-W651 WeakPolarHBondContact O-CB 3.35Å; N648-W651 PolarHBondContact O-N 3.45Å; N648-Y652 WeakPolarHBondContact O-CD2 3.36Å; N648-Y652 PolarHBondContact O-N 3.44Å
649	R	98.4	Very high	94.3	Very high	52 Å²	52	66.6 Å²	66.6	20%	0.196	35%	0.352	C	S	.	.	H	α-helix	trans	-60.3	-44.9	175.6	-175.2	-103.5	-177.9	-108.8	-1.8	111.6	V616 I619 D620 L645 E646 W651 Y652 Q653	V616-R649 VanDerWaalsContact CG1-CZ 3.48Å; V616-R649 VanDerWaalsContact CG1-NH2 3.28Å; I619-R649 HydrophobicContact CB-CB 4.48Å; I619-R649 HydrophobicContact CB-CG 4.16Å; I619-R649 HydrophobicContact CD1-CB 3.76Å; I619-R649 HydrophobicContact CD1-CG 4.17Å; I619-R649 HydrophobicContact CG2-CB 3.97Å; I619-R649 HydrophobicContact CG2-CG 3.83Å; D620-R649 IonicContact OD1-CZ 3.44Å; D620-R649 IonicContact OD1-NE 2.69Å; D620-R649 PolarHBondContact OD1-NE 3.02Å; D620-R649 IonicContact OD1-NH2 3.32Å; D620-R649 PolarHBondContact OD1-NH2 3.3Å; D620-R649 IonicContact OD2-CZ 2.85Å; D620-R649 IonicContact OD2-NE 3.96Å; D620-R649 IonicContact OD2-NH2 3.23Å; D620-R649 PolarHBondContact OD2-NH2 3.2Å; L645-R649 VanDerWaalsContact O-CB 3.28Å; L645-R649 WeakPolarHBondContact O-CB 3.37Å; L645-R649 PolarHBondContact O-N 3.35Å; E646-R649 PolarHBondContact O-N 2.96Å; R649-W651 VanDerWaalsContact C-N 3.34Å; R649-Y652 PolarHBondContact O-N 3.45Å; R649-Q653 WeakPolarHBondContact O-CB 3.48Å; R649-Q653 PolarHBondContact O-N 3.27Å
650	N	98.2	Very high	92.1	Very high	88 Å²	88	70.5 Å²	70.5	47%	0.471	38%	0.381	S	S	.	.	H	α-helix	trans	-65	-38.4	177.1	-70.5	-30.2	0	0	0	111.7	E646 D647 N648 Q653 S654	E646-N650 WeakPolarHBondContact O-CB 3.32Å; E646-N650 PolarHBondContact O-N 3.17Å; E646-N650 PolarHBondContact O-ND2 3.12Å; E646-N650 VanDerWaalsContact O-ND2 3.09Å; D647-N650 PolarHBondContact O-N 3.42Å; N648-N650 VanDerWaalsContact C-N 3.35Å; N648-N650 PolarHBondContact O-N 3.44Å; N650-Q653 WeakPolarHBondContact O-CB 3.31Å; N650-Q653 PolarHBondContact O-N 3.27Å; N650-S654 WeakPolarHBondContact O-CB 3.48Å; N650-S654 PolarHBondContact O-N 3.49Å
651	W	98.4	Very high	89.5	Confident	64 Å²	64	69.7 Å²	69.7	24%	0.242	39%	0.385	C	S	.	.	H	α-helix	trans	-61.7	-50.4	174.5	-173.7	90.9	0	0	0	111.8	L572 R576 D647 N648 R649 Q653 S654 M655	L572-W651 HydrophobicContact CD1-CB 4.32Å; L572-W651 HydrophobicContact CD1-CD2 3.76Å; L572-W651 HydrophobicContact CD1-CE3 3.71Å; L572-W651 HydrophobicContact CD1-CG 4.03Å; L572-W651 HydrophobicContact CD1-CZ3 4.3Å; L572-W651 HydrophobicContact CD2-CB 4.39Å; L572-W651 HydrophobicContact CD2-CD2 3.74Å; L572-W651 HydrophobicContact CD2-CE3 4.49Å; L572-W651 HydrophobicContact CD2-CG 3.64Å; L572-W651 HydrophobicContact CD2-CZ2 4.39Å; L572-W651 HydrophobicContact CG-CD2 4.33Å; R576-W651 HydrophobicContact CG-CH2 4.23Å; R576-W651 HydrophobicContact CG-CZ3 4.19Å; D647-W651 WeakPolarHBondContact O-CB 3.33Å; D647-W651 PolarHBondContact O-N 3.35Å; N648-W651 WeakPolarHBondContact O-CB 3.35Å; N648-W651 PolarHBondContact O-N 3.45Å; R649-W651 VanDerWaalsContact C-N 3.34Å; W651-Q653 VanDerWaalsContact C-N 3.32Å; W651-Q653 PolarHBondContact O-N 3.3Å; W651-S654 WeakPolarHBondContact O-CB 3.37Å; W651-S654 PolarHBondContact O-N 3.44Å; W651-S654 VanDerWaalsContact O-N 3.09Å; W651-S654 PolarHBondContact O-OG 3.3Å; W651-M655 HydrophobicContact CD2-CG 4.14Å; W651-M655 HydrophobicContact CE3-CG 4.12Å; W651-M655 HydrophobicContact CH2-CE 3.79Å; W651-M655 HydrophobicContact CH2-CG 3.87Å; W651-M655 HydrophobicContact CZ2-CE 3.23Å; W651-M655 HydrophobicContact CZ2-CG 3.9Å; W651-M655 HydrophobicContact CZ2-SD 4.43Å; W651-M655 HydrophobicContact CZ3-CG 3.98Å; W651-M655 PolarHBondContact O-N 3.15Å; W651-M655 VanDerWaalsContact O-N 3.13Å
652	Y	97.7	Very high	87.1	Confident	9 Å²	9	74.1 Å²	74.1	4%	0.035	42%	0.415	C	S	.	.	H	α-helix	trans	-61.7	-39.7	176.6	-87.7	-78.6	0	0	0	112.2	L572 Y575 T579 E612 Q615 N648 R649 S654 M655 I656	L572-Y652 HydrophobicContact CD1-CE2 4.5Å; Y575-Y652 HydrophobicContact CD1-CD2 4.25Å; Y575-Y652 AromaticContact CD1-CE2 3.57Å; Y575-Y652 HydrophobicContact CD1-CE2 3.57Å; Y575-Y652 AromaticContact CE1-CD2 3.6Å; Y575-Y652 HydrophobicContact CE1-CD2 3.6Å; Y575-Y652 AromaticContact CE1-CE2 3.2Å; Y575-Y652 HydrophobicContact CE1-CE2 3.2Å; Y575-Y652 HydrophobicContact CG-CE2 4.41Å; Y575-Y652 AromaticContact CZ-CE2 3.76Å; T579-Y652 WeakPolarHBondContact CB-OH 3.5Å; T579-Y652 HydrophobicContact CG2-CE1 4.35Å; T579-Y652 PolarHBondContact OG1-OH 2.77Å; E612-Y652 HydrophobicContact CB-CD1 4.27Å; E612-Y652 HydrophobicContact CG-CD1 4.31Å; Q615-Y652 HydrophobicContact CB-CD1 3.82Å; Q615-Y652 HydrophobicContact CB-CD2 4.29Å; Q615-Y652 HydrophobicContact CB-CE1 4.11Å; Q615-Y652 HydrophobicContact CB-CG 3.9Å; Q615-Y652 HydrophobicContact CG-CD1 3.94Å; Q615-Y652 HydrophobicContact CG-CE1 3.71Å; Q615-Y652 HydrophobicContact CG-CG 4.42Å; N648-Y652 WeakPolarHBondContact O-CD2 3.36Å; N648-Y652 PolarHBondContact O-N 3.44Å; R649-Y652 PolarHBondContact O-N 3.45Å; Y652-S654 VanDerWaalsContact C-N 3.28Å; Y652-S654 PolarHBondContact O-N 3.41Å; Y652-M655 PolarHBondContact O-N 3.3Å; Y652-M655 VanDerWaalsContact O-N 3.14Å; Y652-I656 PolarHBondContact O-N 3.46Å
653	Q	97	Very high	84.7	Confident	85 Å²	85	79.1 Å²	79.1	40%	0.397	45%	0.448	S	S	.	.	H	α-helix	trans	-58.4	-40.7	173.7	-179.7	69	55.8	0	0	112.2	V616 R649 N650 W651 M655 I656	V616-Q653 HydrophobicContact CG2-CB 4.03Å; R649-Q653 WeakPolarHBondContact O-CB 3.48Å; R649-Q653 PolarHBondContact O-N 3.27Å; N650-Q653 WeakPolarHBondContact O-CB 3.31Å; N650-Q653 PolarHBondContact O-N 3.27Å; W651-Q653 VanDerWaalsContact C-N 3.32Å; W651-Q653 PolarHBondContact O-N 3.3Å; Q653-M655 VanDerWaalsContact C-N 3.27Å; Q653-M655 PolarHBondContact O-N 3.1Å; Q653-I656 PolarHBondContact O-N 3.48Å
654	S	96.7	Very high	82.2	Confident	86 Å²	86	84 Å²	84	60%	0.601	47%	0.474	S	S	*	.	H	α-helix	trans	-69.7	-24.1	178.7	79	0	0	0	0	113.5	N650 W651 Y652	N650-S654 WeakPolarHBondContact O-CB 3.48Å; N650-S654 PolarHBondContact O-N 3.49Å; W651-S654 WeakPolarHBondContact O-CB 3.37Å; W651-S654 PolarHBondContact O-N 3.44Å; W651-S654 VanDerWaalsContact O-N 3.09Å; W651-S654 PolarHBondContact O-OG 3.3Å; Y652-S654 VanDerWaalsContact C-N 3.28Å; Y652-S654 PolarHBondContact O-N 3.41Å
655	M	95.3	Very high	79.6	Confident	92 Å²	92	89.9 Å²	89.9	45%	0.453	50%	0.503	S	S	.	.	H	α-helix	trans	-87.7	-7	179.4	-72.4	-61.9	-146.6	0	0	114	E612 W651 Y652 Q653 P657	E612-M655 HydrophobicContact CG-CB 4.01Å; W651-M655 HydrophobicContact CD2-CG 4.14Å; W651-M655 HydrophobicContact CE3-CG 4.12Å; W651-M655 HydrophobicContact CH2-CE 3.79Å; W651-M655 HydrophobicContact CH2-CG 3.87Å; W651-M655 HydrophobicContact CZ2-CE 3.23Å; W651-M655 HydrophobicContact CZ2-CG 3.9Å; W651-M655 HydrophobicContact CZ2-SD 4.43Å; W651-M655 HydrophobicContact CZ3-CG 3.98Å; W651-M655 PolarHBondContact O-N 3.15Å; W651-M655 VanDerWaalsContact O-N 3.13Å; Y652-M655 PolarHBondContact O-N 3.3Å; Y652-M655 VanDerWaalsContact O-N 3.14Å; Q653-M655 VanDerWaalsContact C-N 3.27Å; Q653-M655 PolarHBondContact O-N 3.1Å; M655-P657 VanDerWaalsContact O-CD 3.31Å; M655-P657 WeakPolarHBondContact O-CD 3.4Å
656	I	92.9	Very high	76.8	Confident	34 Å²	34	98.3 Å²	98.3	17%	0.174	54%	0.543	C	S	.	.	S	Bend	trans	-61	122.3	177.3	-68.4	166.2	0	0	0	109.4	E612 K613 V616 Y652 Q653 Q658	E612-I656 HydrophobicContact CB-CG1 3.68Å; K613-I656 HydrophobicContact CD-CG2 4.37Å; K613-I656 HydrophobicContact CG-CD1 3.86Å; K613-I656 HydrophobicContact CG-CG1 3.92Å; K613-I656 HydrophobicContact CG-CG2 3.85Å; V616-I656 HydrophobicContact CG2-CD1 4.22Å; Y652-I656 PolarHBondContact O-N 3.46Å; Q653-I656 PolarHBondContact O-N 3.48Å; I656-Q658 PolarHBondContact O-N 3.03Å
657	P	87.1	Confident	74	Confident	90 Å²	90	102.8 Å²	102.8	58%	0.584	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-57.6	128.6	178.2	-25.3	34.3	0	0	0	111.3	M655 S659	M655-P657 VanDerWaalsContact O-CD 3.31Å; M655-P657 WeakPolarHBondContact O-CD 3.4Å; P657-S659 PolarHBondContact O-N 2.97Å
658	Q	75.4	Confident	70.8	Confident	189 Å²	189	105.1 Å²	105.1	88%	0.883	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-62.4	125.7	171.5	-65.8	-173.2	5.4	0	0	108.5	I656	I656-Q658 PolarHBondContact O-N 3.03Å
659	S	62.2	Low	67.8	Low	91 Å²	91	115.4 Å²	115.4	64%	0.636	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-51	134.5	170.8	-51.4	0	0	0	0	108.7	P657 S661	P657-S659 PolarHBondContact O-N 2.97Å; S659-S661 PolarHBondContact O-N 3.43Å; S659-S661 VanDerWaalsContact O-N 3.08Å
660	P	51.9	Low	64.6	Low	126 Å²	126	119.9 Å²	119.9	82%	0.818	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-54.5	124.8	173.6	1.1	0.6	0	0	0	108
661	S	41.7	Very low	61.5	Low	105 Å²	105	122.2 Å²	122.2	73%	0.734	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-55.6	136.1	175.4	-50.7	0	0	0	0	108.4	S659	S659-S661 PolarHBondContact O-N 3.43Å; S659-S661 VanDerWaalsContact O-N 3.08Å
662	P	47.7	Very low	58.3	Low	113 Å²	113	128.9 Å²	128.9	73%	0.734	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-56.5	141.2	177.2	22.1	-30.2	0	0	0	109.2	L664	P662-L664 PolarHBondContact O-N 3.3Å
663	P	47.9	Very low	55	Low	119 Å²	119	132 Å²	132	77%	0.773	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-55.6	135.9	176.4	-18.8	29.7	0	0	0	109.7	D665	P663-D665 PolarHBondContact O-N 3.08Å; P663-D665 VanDerWaalsContact O-N 3.11Å
664	L	44.7	Very low	51.8	Low	170 Å²	170	135.7 Å²	135.7	89%	0.89	75%	0.754	S	S	*	*			trans	-63.7	112.6	170	-68.1	171.8	0	0	0	108	P662 E666	P662-L664 PolarHBondContact O-N 3.3Å; L664-E666 VanDerWaalsContact C-N 3.33Å; L664-E666 PolarHBondContact O-N 3.47Å
665	D	45.5	Very low	48.6	Very low	166 Å²	166	140.5 Å²	140.5	89%	0.888	77%	0.769	S	S	*	*			trans	-64.8	91	173.1	-87.8	-32	0	0	0	110.3	P663 Q667	P663-D665 PolarHBondContact O-N 3.08Å; P663-D665 VanDerWaalsContact O-N 3.11Å; D665-Q667 PolarHBondContact O-N 3.31Å
666	E	38.2	Very low	45.7	Very low	178 Å²	178	144.3 Å²	144.3	83%	0.832	79%	0.786	S	S	*	*			trans	-80.6	88.4	153.5	-77.3	-167.1	158.4	0	0	108.7	L664	L664-E666 VanDerWaalsContact C-N 3.33Å; L664-E666 PolarHBondContact O-N 3.47Å
667	Q	40.3	Very low	42.8	Very low	183 Å²	183	151.3 Å²	151.3	86%	0.855	82%	0.815	S	S	*	*			trans	171.3	112.9	133.8	-92.7	161.5	38.2	0	0	113.1	D665 R669	D665-Q667 PolarHBondContact O-N 3.31Å; Q667-R669 PolarHBondContact O-N 3.37Å
668	N	32.2	Very low	39.9	Very low	162 Å²	162	156.5 Å²	156.5	87%	0.866	83%	0.829	S	S	*	*			trans	-53	119.9	153.4	-81.9	-58.8	0	0	0	111.1
669	R	33.8	Very low	37.7	Very low	221 Å²	221	154.6 Å²	154.6	83%	0.834	82%	0.82	S	S	*	*				169.5	125.5	124.8	-95.9	169.9	179.4	172.3	0.6	111.9	Q667	Q667-R669 PolarHBondContact O-N 3.37Å
670	D	32.1	Very low	36	Very low	146 Å²	146	159.5 Å²	159.5	78%	0.781	83%	0.83	S	S	*	*			trans	55.8	90.9	145.9	-54.2	-29.8	0	0	0	118.2
671	C	34.1	Very low	34.8	Very low	138 Å²	138	160.6 Å²	160.6	93%	0.932	83%	0.825	S	S	*	*			trans	-164.8	103.2	136.6	-110.2	0	0	0	0	111.5
672	Q	30	Very low	34.3	Very low	204 Å²	204	162.8 Å²	162.8	95%	0.953	83%	0.827	S	S	*	*			trans	-69.4	123.9	162.9	-80.2	159.3	-24.6	0	0	109.2
673	G	29.2	Very low	33.4	Very low	74 Å²	74	161.8 Å²	161.8	76%	0.763	82%	0.819	S	S	*	*			trans	162.8	94.9	167.5	0	0	0	0	0	114.9
674	L	28.2	Very low	32.7	Very low	162 Å²	162	163.6 Å²	163.6	85%	0.848	82%	0.822	S	S	*	*			trans	75.7	78.8	145.5	-141.9	146.9	0	0	0	117
675	M	29.9	Very low	32.2	Very low	188 Å²	188	161.8 Å²	161.8	93%	0.926	81%	0.813	S	S	*	*			trans	-121.2	108.3	153.5	-83.5	179.6	75.2	0	0	108.7	K677	M675-K677 PolarHBondContact O-N 3.11Å
676	E	34.8	Very low	31.6	Very low	172 Å²	172	162.9 Å²	162.9	80%	0.804	81%	0.813	S	S	*	*			trans	-69.5	122	166.2	-78.2	179.8	154.5	0	0	109.2
677	K	31.5	Very low	31.6	Very low	181 Å²	181	163.2 Å²	163.2	79%	0.787	81%	0.814	S	S	*	*			trans	-63.8	122.7	175.6	-91.1	174.7	160.2	-176.9	0	111.2	M675	M675-K677 PolarHBondContact O-N 3.11Å
678	F	27.8	Very low	31.5	Very low	199 Å²	199	162.2 Å²	162.2	87%	0.873	82%	0.815	S	S	*	*			trans	-126.7	98.1	146.6	-83.4	-82.2	0	0	0	108
679	Q	27.3	Very low	31.9	Very low	148 Å²	148	160.5 Å²	160.5	69%	0.692	82%	0.815	S	S	*	*			trans	-109.4	110.7	173	-168.5	173.8	4.7	0	0	106.3	E681	Q679-E681 PolarHBondContact O-N 3.47Å
680	F	27.7	Very low	32.1	Very low	194 Å²	194	159.7 Å²	159.7	85%	0.851	82%	0.821	S	S	*	*			trans	-83.2	105.8	167	-113.4	-92.7	0	0	0	107
681	E	26.5	Very low	32.4	Very low	150 Å²	150	156 Å²	156	70%	0.701	82%	0.818	S	S	*	*			trans	-95.4	104.9	170.3	-164.3	161.6	-156.2	0	0	106.5	Q679 T683	Q679-E681 PolarHBondContact O-N 3.47Å; E681-T683 PolarHBondContact O-N 2.88Å
682	L	31.8	Very low	32.6	Very low	150 Å²	150	155.2 Å²	155.2	79%	0.785	81%	0.811	S	S	*	*			trans	-82	91.4	165.5	-104.6	113.1	0	0	0	106.9	L684	L682-L684 PolarHBondContact O-N 3.37Å
683	T	28.2	Very low	32.9	Very low	92 Å²	92	153 Å²	153	56%	0.564	80%	0.8	S	S	*	*			trans	-73	108.1	168.2	-34.3	0	0	0	0	107.9	E681 D685	E681-T683 PolarHBondContact O-N 2.88Å; T683-D685 VanDerWaalsContact CG2-OD1 3.24Å; T683-D685 WeakPolarHBondContact CG2-OD1 3.24Å
684	L	32.3	Very low	33.4	Very low	158 Å²	158	157 Å²	157	83%	0.827	80%	0.797	S	S	*	*			trans	-86.9	100.8	160.5	-78.2	168.4	0	0	0	106.3	L682 E686	L682-L684 PolarHBondContact O-N 3.37Å; L684-E686 PolarHBondContact O-N 3.35Å
685	D	34.4	Very low	33.8	Very low	132 Å²	132	158 Å²	158	71%	0.706	80%	0.797	S	S	*	*			trans	-77.8	102.1	174	-67.9	-40.8	0	0	0	109.1	T683	T683-D685 VanDerWaalsContact CG2-OD1 3.24Å; T683-D685 WeakPolarHBondContact CG2-OD1 3.24Å
686	E	33.5	Very low	34	Very low	189 Å²	189	152.5 Å²	152.5	88%	0.883	79%	0.789	S	S	*	*			trans	-87.7	101.8	156.7	-70.4	-174.6	167.1	0	0	107.6	L684	L684-E686 PolarHBondContact O-N 3.35Å
687	E	38.3	Very low	34.1	Very low	185 Å²	185	154 Å²	154	86%	0.864	80%	0.796	S	S	*	*			trans	-105.1	101.7	168.4	-76.3	-167.4	164	0	0	110.6
688	D	38.9	Very low	34.1	Very low	162 Å²	162	148.7 Å²	148.7	87%	0.866	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-68.1	148.4	163.6	-95.6	-36.3	0	0	0	111.8
689	S	39.6	Very low	34.5	Very low	125 Å²	125	148.3 Å²	148.3	87%	0.874	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-63.9	133	-177.1	-67.9	0	0	0	0	114.6
690	E	38.3	Very low	34.5	Very low	204 Å²	204	146.5 Å²	146.5	95%	0.953	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-85.4	140.8	162.6	-80	-161	152.6	0	0	113
691	G	37.4	Very low	34.7	Very low	70 Å²	70	147.9 Å²	147.9	72%	0.722	80%	0.798	S	S	*	*			trans	165.4	136	154.7	0	0	0	0	0	113.9
692	P	39.5	Very low	34.8	Very low	121 Å²	121	150.2 Å²	150.2	79%	0.786	81%	0.806	S	S	*	*				-128.8	179.9	-112.3	31.7	-13.4	0	0	0	116.6
693	E	35.6	Very low	34.7	Very low	157 Å²	157	148.4 Å²	148.4	73%	0.734	81%	0.806	S	S	*	*			trans	86.7	108.2	158.2	-42.6	-170.6	172.9	0	0	119.3
694	K	40.8	Very low	34.6	Very low	159 Å²	159	149 Å²	149	69%	0.691	81%	0.814	S	S	*	*				162.6	125.7	94.3	-80.7	-161.5	-179.7	174.9	0	113.6
695	E	36.1	Very low	34.6	Very low	181 Å²	181	148.8 Å²	148.8	85%	0.846	82%	0.819	S	S	*	*			trans	56.5	119.4	135.9	-59.8	179.1	-172.4	0	0	120.8
696	G	34.7	Very low	34.6	Very low	73 Å²	73	151.6 Å²	151.6	75%	0.753	83%	0.825	S	S	*	*			trans	145.5	88.2	141.1	0	0	0	0	0	118.4
697	E	36.7	Very low	34.3	Very low	204 Å²	204	148.8 Å²	148.8	95%	0.953	82%	0.821	S	S	*	*			trans	57.7	121.4	143.3	-62.5	-176.2	163.2	0	0	121.8
698	G	29.9	Very low	33.9	Very low	69 Å²	69	147.5 Å²	147.5	71%	0.711	82%	0.819	S	S	*	*			trans	-89.2	172.2	-174.1	0	0	0	0	0	117.1
699	H	36.4	Very low	33.4	Very low	191 Å²	191	144.8 Å²	144.8	88%	0.884	81%	0.812	S	S	*	*			trans	-153	118.4	145.1	-95.8	-56.2	0	0	0	110
700	S	27.5	Very low	33.1	Very low	110 Å²	110	145.3 Å²	145.3	77%	0.769	81%	0.809	S	S	*	*			trans	-66.4	126.7	167.7	164.3	0	0	0	0	110.3
701	Y	33.1	Very low	32.9	Very low	223 Å²	223	142.7 Å²	142.7	88%	0.875	80%	0.8	S	S	*	*			trans	-145.4	122.9	152.6	-101.2	-82.3	0	0	0	111.2
702	F	27.2	Very low	32.7	Very low	200 Å²	200	146.7 Å²	146.7	88%	0.877	81%	0.805	S	S	*	*			trans	-71.6	127.3	171.3	-139.8	-99.2	0	0	0	109.7
703	S	29.7	Very low	32.7	Very low	111 Å²	111	146.3 Å²	146.3	78%	0.776	80%	0.803	S	S	*	*			trans	-168.2	115.3	153.8	-140.8	0	0	0	0	115.3
704	S	27.7	Very low	32.8	Very low	106 Å²	106	147.8 Å²	147.8	74%	0.741	81%	0.81	S	S	*	*			trans	20.1	116.2	143	-53.4	0	0	0	0	120.5
705	T	31.4	Very low	32.7	Very low	152 Å²	152	148.5 Å²	148.5	93%	0.933	82%	0.821	S	S	*	*			trans	-93.2	112.6	159	-15	0	0	0	0	110.1
706	K	33.7	Very low	32.7	Very low	192 Å²	192	150.4 Å²	150.4	84%	0.835	82%	0.82	S	S	*	*			trans	-81.1	143.1	174.8	-83.2	174.4	172.3	173.9	0	111.3
707	T	26.9	Very low	32.7	Very low	129 Å²	129	153.1 Å²	153.1	79%	0.791	82%	0.818	S	S	*	*			trans	-41.6	133.4	154.2	-44.4	0	0	0	0	112.3
708	L	31	Very low	32.8	Very low	158 Å²	158	148.8 Å²	148.8	83%	0.827	81%	0.81	S	S	*	*			trans	-130.2	107.4	167.2	-157	87.8	0	0	0	109.7
709	C	29	Very low	33.1	Very low	106 Å²	106	154.2 Å²	154.2	72%	0.716	82%	0.822	S	S	*	*			trans	-78.6	136.5	162	-62.7	0	0	0	0	109
710	V	33	Very low	33.1	Very low	136 Å²	136	149 Å²	149	82%	0.824	82%	0.819	S	S	*	*			trans	-99.9	126.3	167.4	178.4	0	0	0	0	107.6
711	I	34.2	Very low	33.4	Very low	148 Å²	148	152.6 Å²	152.6	76%	0.759	82%	0.824	S	S	*	*			trans	-111.1	130.7	179.5	-69.7	171.2	0	0	0	107.8
712	D	32.4	Very low	33.6	Very low	154 Å²	154	148.7 Å²	148.7	82%	0.824	82%	0.823	S	S	*	*			trans	-60.8	150.3	166.4	-80.9	-45.7	0	0	0	112.9
713	P	40.2	Very low	33.8	Very low	114 Å²	114	146.4 Å²	146.4	74%	0.74	82%	0.82	S	S	*	*			trans	-125	117.9	157.3	33.8	-18.1	0	0	0	111.5
714	E	36.9	Very low	34.3	Very low	188 Å²	188	149 Å²	149	88%	0.879	82%	0.824	S	S	*	*			trans	-177.7	99.1	137.6	-102.8	176	-161.6	0	0	111.4
715	N	38.5	Very low	34.5	Very low	173 Å²	173	151.1 Å²	151.1	93%	0.925	83%	0.827	S	S	*	*				-176	126	128.7	-104.5	-34.7	0	0	0	111.5
716	R	36.7	Very low	34.9	Very low	221 Å²	221	151.4 Å²	151.4	83%	0.834	82%	0.821	S	S	*	*			trans	-102.1	136.6	179.2	-107.7	-173	175.4	175.8	-1.6	110.7
717	D	35.6	Very low	35	Very low	130 Å²	130	146 Å²	146	70%	0.695	81%	0.812	S	S	*	*			trans	57.9	118.3	140.1	-55.7	-31.9	0	0	0	119.7
718	S	38.4	Very low	35.6	Very low	113 Å²	113	145.6 Å²	145.6	79%	0.79	81%	0.809	S	S	*	*				168	118.4	87.2	38.8	0	0	0	0	114.4
719	L	35.1	Very low	36.1	Very low	184 Å²	184	146.3 Å²	146.3	96%	0.963	81%	0.809	S	S	*	*			trans	27.3	132.9	137.6	-68.6	156.6	0	0	0	122.3
720	G	37	Very low	36.7	Very low	80 Å²	80	146.5 Å²	146.5	83%	0.825	80%	0.802	S	S	*	*			trans	155.5	103.5	145.4	0	0	0	0	0	116.1
721	E	33.7	Very low	37.1	Very low	186 Å²	186	148.3 Å²	148.3	87%	0.869	80%	0.799	S	S	*	*			trans	-60.7	150.2	173.2	-63.6	169.5	140.5	0	0	114.2
722	T	36.7	Very low	37.2	Very low	141 Å²	141	146.3 Å²	146.3	87%	0.865	80%	0.798	S	S	*	*				171.6	141.2	115.8	33.3	0	0	0	0	112.8
723	D	32.9	Very low	38.1	Very low	152 Å²	152	144 Å²	144	81%	0.813	79%	0.792	S	S	*	*			trans	-53.2	159	178.5	-70.6	-51.5	0	0	0	116.1
724	I	39.3	Very low	38.3	Very low	165 Å²	165	144.4 Å²	144.4	85%	0.846	79%	0.792	S	S	*	*				-179.5	125.1	121.9	-83.9	149	0	0	0	110.2
725	D	32.6	Very low	39	Very low	151 Å²	151	142.8 Å²	142.8	81%	0.807	79%	0.789	S	S	*	*			trans	-58.5	154.6	168.2	-83.1	-48.2	0	0	0	113.9
726	I	38.2	Very low	39.4	Very low	159 Å²	159	144.6 Å²	144.6	82%	0.815	81%	0.807	S	S	*	*				-178.2	121.2	128.2	-86.9	149.4	0	0	0	110.8
727	A	37.7	Very low	39.5	Very low	78 Å²	78	140.8 Å²	140.8	65%	0.645	81%	0.806	S	S	*	*			trans	-7.8	154	146.4	0	0	0	0	0	118.4
728	T	38.7	Very low	39.8	Very low	120 Å²	120	141.4 Å²	141.4	74%	0.736	81%	0.812	S	S	*	*			cis	179.4	164.5	36.3	-8.2	0	0	0	0	109.6
729	E	40.8	Very low	39.8	Very low	173 Å²	173	142.9 Å²	142.9	81%	0.808	81%	0.813	S	S	*	*			trans	73.1	141.1	148.3	-78.1	-177.3	179.3	0	0	120.2
730	D	41.5	Very low	40.1	Very low	110 Å²	110	140.5 Å²	140.5	59%	0.588	80%	0.804	S	S	*	*			cis	-174.1	161	-7.3	-162.6	6.1	0	0	0	108.2
731	K	42.9	Very low	40.3	Very low	175 Å²	175	144.3 Å²	144.3	76%	0.761	80%	0.803	S	S	*	*			trans	75.8	107.8	154.6	-77.5	154.9	-178.8	132.8	0	123.5
732	S	36.2	Very low	40.7	Very low	105 Å²	105	141.5 Å²	141.5	73%	0.734	80%	0.798	S	S	*	*			trans	-83.8	-168	132.7	64.4	0	0	0	0	110
733	P	50.8	Low	41	Very low	105 Å²	105	141.6 Å²	141.6	68%	0.682	79%	0.793	S	S	*	*			cis	-145.4	-179	-3.9	41.9	-21.6	0	0	0	116.7
734	V	44.7	Very low	41.7	Very low	124 Å²	124	140.8 Å²	140.8	75%	0.752	79%	0.792	S	S	*	*			trans	62.8	126.1	144.8	178.4	0	0	0	0	121.1
735	D	51.4	Low	41.9	Very low	153 Å²	153	138.8 Å²	138.8	82%	0.818	79%	0.787	S	S	*	*				-165	128.4	125.5	-103.2	-21.1	0	0	0	113.8
736	T	46.9	Very low	42.7	Very low	212 Å²	212	137.6 Å²	137.6	100%	1.301	79%	0.785	S	S	*	*			trans	73	0	168.3	6.7	0	0	0	0	121.2

Retrieved 736 of 736 residues in 124 ms (Link to these results)

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