A0A087Y3W1_POEFO Loading...

Eyes absent homolog

AlphaFold DB , UniProt , Accession A0A087Y3W1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 609 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.2	Very low	38.2	Very low	239 Å²	239	147.7 Å²	147.7	100%	1.177	81%	0.814	S	S	*	*				0	120.4	0	-75.1	171.1	171.6	0	0	106.6
2	E	35.4	Very low	37.9	Very low	163 Å²	163	152.5 Å²	152.5	76%	0.762	81%	0.811	S	S	*	*			trans	-81.2	-179.9	171.4	-48.4	110.8	112.5	0	0	110.5
3	M	35	Very low	37.5	Very low	135 Å²	135	151.1 Å²	151.1	67%	0.665	81%	0.811	S	S	*	*			cis	-158	147.3	1.6	-145.4	171.2	-69.3	0	0	110.7
4	Q	41.7	Very low	37.2	Very low	169 Å²	169	148 Å²	148	79%	0.79	81%	0.807	S	S	*	*			trans	37.4	160.3	141.3	-69.3	169.8	-2.8	0	0	124.8
5	D	45	Very low	36.7	Very low	143 Å²	143	142.3 Å²	142.3	77%	0.765	80%	0.796	S	S	*	*			trans	-57.6	166.1	169.9	-50.8	-105.4	0	0	0	115.3
6	L	35.3	Very low	36.4	Very low	173 Å²	173	141.1 Å²	141.1	91%	0.906	80%	0.8	S	S	*	*				-179.7	146.5	112.4	-95.9	164.5	0	0	0	116.2
7	A	32	Very low	36.2	Very low	87 Å²	87	138.1 Å²	138.1	72%	0.719	79%	0.79	S	S	*	*			trans	2.3	146.7	156	0	0	0	0	0	124.1
8	S	35.8	Very low	35.9	Very low	114 Å²	114	140.4 Å²	140.4	80%	0.797	79%	0.793	S	S	*	*			trans	-69.6	164.6	153.1	-34.6	0	0	0	0	112.2
9	P	49.8	Very low	35.9	Very low	115 Å²	115	139 Å²	139	75%	0.747	79%	0.793	S	S	*	*				-153.4	153	105.9	38	-20.7	0	0	0	118.4
10	Q	34.7	Very low	36.4	Very low	163 Å²	163	137.5 Å²	137.5	76%	0.762	79%	0.789	S	S	*	*			trans	25	140.4	137.3	-55.1	178.4	2.1	0	0	122.8
11	S	31.7	Very low	36.3	Very low	124 Å²	124	138.7 Å²	138.7	87%	0.867	79%	0.792	S	S	*	*			trans	-132.4	159.6	130.1	69.3	0	0	0	0	110.8
12	R	34.2	Very low	35.6	Very low	205 Å²	205	130.6 Å²	130.6	77%	0.774	77%	0.77	S	S	*	*			trans	-143	160.7	-174	-84.8	-179.5	165	-173.8	-3.4	110.3
13	V	32.3	Very low	36.1	Very low	134 Å²	134	129.5 Å²	129.5	81%	0.812	78%	0.777	S	S	*	*			trans	167.4	118	140.9	149.5	0	0	0	0	105.8
14	S	33.3	Very low	35.9	Very low	108 Å²	108	128.4 Å²	128.4	76%	0.755	78%	0.783	S	S	*	*				78.2	131.4	50.9	-58.6	0	0	0	0	112.9
15	G	29.6	Very low	35.4	Very low	63 Å²	63	128.5 Å²	128.5	65%	0.649	79%	0.788	S	S	*	*			cis	171.7	-170.7	-4.4	0	0	0	0	0	110.3
16	S	32.5	Very low	34.6	Very low	123 Å²	123	127.7 Å²	127.7	86%	0.86	78%	0.784	S	S	*	*			trans	54.8	148.1	151.6	42.9	0	0	0	0	121.3
17	S	32.8	Very low	34.4	Very low	90 Å²	90	125.9 Å²	125.9	63%	0.629	78%	0.775	S	S	*	*			cis	-166.1	171.9	-5.8	49	0	0	0	0	112.2
18	E	31.4	Very low	34.4	Very low	180 Å²	180	126.2 Å²	126.2	84%	0.841	77%	0.772	S	S	*	*			trans	70.4	148.9	149.1	-75.1	153.4	122	0	0	123.1
19	S	34.8	Very low	34.1	Very low	113 Å²	113	128 Å²	128	79%	0.79	77%	0.767	S	S	*	*			trans	-102.7	168.3	171.4	-46.5	0	0	0	0	110.1
20	P	47.2	Very low	33.4	Very low	109 Å²	109	128.6 Å²	128.6	71%	0.708	76%	0.763	S	S	*	*				-155.6	167.8	101.5	39.9	-22.4	0	0	0	117.7
21	N	32.9	Very low	33	Very low	162 Å²	162	125.8 Å²	125.8	87%	0.866	76%	0.761	S	S	*	*			trans	66.8	140.2	153.7	-61.7	-17.7	0	0	0	121.1
22	G	29.5	Very low	32.9	Very low	69 Å²	69	127 Å²	127	71%	0.711	76%	0.758	S	S	*	*			trans	-110.6	-160.4	166.6	0	0	0	0	0	112.2
23	P	46.6	Very low	32.6	Very low	140 Å²	140	124.3 Å²	124.3	91%	0.909	76%	0.759	S	S	*	*				-135.3	172.4	119.3	39.1	-30.5	0	0	0	114.6
24	S	29.9	Very low	32.4	Very low	113 Å²	113	122.1 Å²	122.1	79%	0.79	75%	0.75	S	S	*	*			trans	-92.1	163.9	-172.6	52.6	0	0	0	0	115
25	L	33	Very low	32	Very low	170 Å²	170	125.5 Å²	125.5	89%	0.89	76%	0.756	S	S	*	*			trans	-147.8	163.3	138.9	-110.7	171.4	0	0	0	111.3
26	D	28.2	Very low	32.2	Very low	127 Å²	127	128.7 Å²	128.7	68%	0.679	76%	0.763	S	S	*	*			trans	-72.9	146.3	-152.9	-98.3	-67.3	0	0	0	118.8
27	N	30.8	Very low	33	Very low	135 Å²	135	127.4 Å²	127.4	72%	0.722	75%	0.752	S	S	*	*				32.6	134.9	123.6	-84.1	-59	0	0	0	119.6
28	S	31	Very low	32.8	Very low	93 Å²	93	130.9 Å²	130.9	65%	0.65	76%	0.763	S	S	*	*			cis	-166.6	-171	23.2	57.1	0	0	0	0	110.9
29	H	30.6	Very low	32.7	Very low	151 Å²	151	125.6 Å²	125.6	70%	0.699	76%	0.757	S	S	*	*			cis	-160.5	-176.4	12.5	-142.1	11.1	0	0	0	114.2
30	I	34.3	Very low	32.4	Very low	129 Å²	129	126.2 Å²	126.2	66%	0.662	76%	0.756	S	S	*	*			trans	-8.7	136.8	150	-70	171.6	0	0	0	117
31	S	26.3	Very low	31.5	Very low	103 Å²	103	129.9 Å²	129.9	72%	0.72	76%	0.764	S	S	*	*			cis	-167.7	158.4	-3.5	49.5	0	0	0	0	113.6
32	N	29.4	Very low	31.1	Very low	151 Å²	151	125.9 Å²	125.9	81%	0.807	76%	0.761	S	S	*	*			trans	-76	149.3	165.6	-76.3	-23.7	0	0	0	113.2
33	N	27.4	Very low	31.1	Very low	147 Å²	147	130 Å²	130	79%	0.786	77%	0.766	S	S	*	*			trans	162.4	123.4	132.5	-81.8	-5	0	0	0	107.5
34	S	28.2	Very low	30.1	Very low	88 Å²	88	130.2 Å²	130.2	62%	0.615	76%	0.76	S	S	*	*				68.2	109	56.1	81.7	0	0	0	0	114.3
35	M	25.5	Very low	30.1	Very low	179 Å²	179	133 Å²	133	88%	0.882	77%	0.765	S	S	*	*				-171	159.6	127.7	-117.9	48.4	160.7	0	0	112.7
36	T	34.8	Very low	29.9	Very low	130 Å²	130	130.4 Å²	130.4	80%	0.798	76%	0.756	S	S	*	*			trans	-101.9	-154.5	178.9	50.7	0	0	0	0	108.9
37	P	49	Very low	30.1	Very low	97 Å²	97	132.6 Å²	132.6	63%	0.63	76%	0.764	S	S	*	*			cis	-144.3	-169.2	-2.4	45	-25.1	0	0	0	117.1
38	N	28.5	Very low	30	Very low	162 Å²	162	134 Å²	134	87%	0.866	77%	0.77	S	S	*	*			trans	65.1	164.6	163.8	-60.8	-1.7	0	0	0	116.5
39	G	27.9	Very low	30	Very low	70 Å²	70	135.4 Å²	135.4	72%	0.722	78%	0.776	S	S	*	*			cis	159	161.1	-2	0	0	0	0	0	109.5
40	T	29.6	Very low	30.2	Very low	125 Å²	125	135.3 Å²	135.3	77%	0.767	79%	0.786	S	S	*	*			cis	-157.1	-165.9	1	-53	0	0	0	0	109.1
41	E	27.7	Very low	30.2	Very low	187 Å²	187	133 Å²	133	87%	0.874	79%	0.786	S	S	*	*			trans	-53.1	166.2	179.5	-57.7	155.8	154.3	0	0	118.3
42	G	25.7	Very low	30.3	Very low	78 Å²	78	135.2 Å²	135.2	80%	0.804	79%	0.79	S	S	*	*			trans	148.8	120.2	148.3	0	0	0	0	0	117.8
43	D	29.1	Very low	30.5	Very low	154 Å²	154	139.8 Å²	139.8	82%	0.824	80%	0.796	S	S	*	*			trans	-49.5	145.2	178.4	-57.5	-50.5	0	0	0	116.8
44	N	25	Very low	31.1	Very low	146 Å²	146	140.3 Å²	140.3	78%	0.781	80%	0.798	S	S	*	*				174	108.1	114.4	-97.9	-81	0	0	0	110.9
45	I	29.3	Very low	31.2	Very low	171 Å²	171	144.5 Å²	144.5	88%	0.877	81%	0.813	S	S	*	*			trans	-94.6	98.5	164.6	-60.7	-179.3	0	0	0	108.1	M47	I45-M47 PolarHBondContact O-N 3.07Å
46	T	30.4	Very low	31.2	Very low	115 Å²	115	139.5 Å²	139.5	71%	0.706	81%	0.807	S	S	*	*			trans	-68.4	121.7	166.7	28.4	0	0	0	0	109.8	L48	T46-L48 PolarHBondContact O-N 2.99Å
47	M	31.9	Very low	30.8	Very low	174 Å²	174	139.7 Å²	139.7	86%	0.857	81%	0.813	S	S	*	*			trans	-60.9	108.7	171.1	-68.1	-102.3	-80.7	0	0	109.3	I45 T49	I45-M47 PolarHBondContact O-N 3.07Å; M47-T49 PolarHBondContact O-N 2.8Å; M47-T49 VanDerWaalsContact O-N 3.15Å
48	L	28.5	Very low	29.7	Very low	163 Å²	163	142.4 Å²	142.4	85%	0.853	82%	0.822	S	S	*	*			trans	-76.1	99.8	173.7	-91.1	165.4	0	0	0	109.5	T46 T50	T46-L48 PolarHBondContact O-N 2.99Å; L48-T50 PolarHBondContact O-N 2.94Å
49	T	30.2	Very low	29.8	Very low	124 Å²	124	142.7 Å²	142.7	76%	0.761	82%	0.823	S	S	*	*			trans	-70.2	108.5	170.8	49.2	0	0	0	0	110	M47 A51	M47-T49 PolarHBondContact O-N 2.8Å; M47-T49 VanDerWaalsContact O-N 3.15Å; T49-A51 PolarHBondContact O-N 3.29Å
50	T	35	Very low	29.8	Very low	149 Å²	149	147.8 Å²	147.8	91%	0.914	83%	0.828	S	S	*	*			trans	-71.9	82.9	-179.6	-52.7	0	0	0	0	111.7	L48	L48-T50 PolarHBondContact O-N 2.94Å
51	A	34.4	Very low	29.6	Very low	81 Å²	81	147.1 Å²	147.1	67%	0.669	83%	0.828	S	S	*	*			trans	-151.9	58.8	179.4	0	0	0	0	0	113.2	T49	T49-A51 PolarHBondContact O-N 3.29Å
52	D	28.7	Very low	29.6	Very low	149 Å²	149	144.3 Å²	144.3	80%	0.797	82%	0.824	S	S	*	*			trans	-166.1	99.6	161.2	-110.9	-25.6	0	0	0	111.3
53	W	33.6	Very low	29.7	Very low	247 Å²	247	145.2 Å²	145.2	94%	0.936	83%	0.825	S	S	*	*			trans	-164.1	34.3	161.6	-96	121.6	0	0	0	113.4
54	L	39.3	Very low	29.7	Very low	158 Å²	158	144.3 Å²	144.3	83%	0.827	82%	0.824	S	S	*	*			trans	-115.4	140.4	166.6	-73.7	174.6	0	0	0	109.3
55	L	31.9	Very low	29.8	Very low	176 Å²	176	144.6 Å²	144.6	92%	0.921	82%	0.818	S	S	*	*			trans	78.3	116.4	-162.2	-50.7	168.1	0	0	0	113.3
56	G	25.6	Very low	29.9	Very low	74 Å²	74	142.9 Å²	142.9	76%	0.763	82%	0.816	S	S	*	*			cis	164.7	137.6	-10.7	0	0	0	0	0	112.9
57	S	26.7	Very low	29.9	Very low	133 Å²	133	143.9 Å²	143.9	93%	0.93	81%	0.813	S	S	*	*			trans	-139.7	117.9	173	-66.1	0	0	0	0	109.5
58	N	25.8	Very low	30	Very low	154 Å²	154	141.8 Å²	141.8	82%	0.824	81%	0.812	S	S	*	*			trans	-129.3	111.8	179.8	-179.3	3.5	0	0	0	109.3
59	L	29	Very low	30	Very low	168 Å²	168	142.9 Å²	142.9	88%	0.88	82%	0.815	S	S	*	*			trans	-154.1	147.5	164	-135.8	78.4	0	0	0	111.5
60	Q	28.2	Very low	30	Very low	178 Å²	178	142.4 Å²	142.4	83%	0.832	82%	0.817	S	S	*	*			trans	-62.2	161.2	174.4	-67.9	151.5	-14.7	0	0	111.5
61	S	25.6	Very low	29.6	Very low	110 Å²	110	140.7 Å²	140.7	77%	0.769	81%	0.811	S	S	*	*			cis	-163.5	-179.6	2.9	42.7	0	0	0	0	106.8
62	T	27.5	Very low	29.6	Very low	128 Å²	128	142.3 Å²	142.3	79%	0.785	82%	0.818	S	S	*	*			cis	-150	169.9	31.7	47.9	0	0	0	0	111.6
63	A	29.1	Very low	29.8	Very low	98 Å²	98	143 Å²	143	81%	0.81	82%	0.816	S	S	*	*			trans	-98	144.5	177.8	0	0	0	0	0	112.9
64	V	28.3	Very low	29.7	Very low	135 Å²	135	138.5 Å²	138.5	82%	0.818	81%	0.808	S	S	*	*			trans	-126	123.2	161.8	179.2	0	0	0	0	107.9
65	K	26.3	Very low	29.2	Very low	151 Å²	151	134 Å²	134	66%	0.657	79%	0.794	S	S	*	*			trans	-113.5	130.8	-179.5	-175.2	-161.1	-174.5	-156	0	108.9	E67	K65-E67 WeakPolarHBondContact CE-OE1 3.14Å; K65-E67 WeakPolarHBondContact CE-OE2 3.31Å; K65-E67 IonicContact NZ-OE1 3.79Å; K65-E67 PolarHBondContact NZ-OE1 2.97Å; K65-E67 IonicContact NZ-OE2 3.55Å; K65-E67 PolarHBondContact NZ-OE2 3.22Å
66	T	31.7	Very low	29.1	Very low	135 Å²	135	131.1 Å²	131.1	83%	0.828	79%	0.789	S	S	*	*			trans	-130.8	119.2	170.7	35.6	0	0	0	0	110.3
67	E	31	Very low	29.3	Very low	137 Å²	137	132.9 Å²	132.9	64%	0.64	79%	0.789	S	S	*	*			trans	-105.3	148.1	170.8	-76.9	162.9	149.4	0	0	109.6	K65	K65-E67 WeakPolarHBondContact CE-OE1 3.14Å; K65-E67 WeakPolarHBondContact CE-OE2 3.31Å; K65-E67 IonicContact NZ-OE1 3.79Å; K65-E67 PolarHBondContact NZ-OE1 2.97Å; K65-E67 IonicContact NZ-OE2 3.55Å; K65-E67 PolarHBondContact NZ-OE2 3.22Å
68	P	34.7	Very low	29.5	Very low	130 Å²	130	132.6 Å²	132.6	84%	0.844	78%	0.782	S	S	*	*			trans	-78.9	140.4	167.1	33	-32.3	0	0	0	110.6
69	M	27.8	Very low	29.7	Very low	186 Å²	186	130.9 Å²	130.9	92%	0.916	78%	0.777	S	S	*	*			trans	-120.8	150	167.6	-73.1	-158.5	73.8	0	0	111.3
70	S	30.3	Very low	29.8	Very low	114 Å²	114	129.7 Å²	129.7	80%	0.797	77%	0.772	S	S	*	*			trans	-108.2	157.2	-176.5	-171.6	0	0	0	0	111.8
71	S	26.3	Very low	29.9	Very low	113 Å²	113	127.5 Å²	127.5	79%	0.79	78%	0.776	S	S	*	*			trans	-155.9	170.2	177.7	58.5	0	0	0	0	112.4
72	S	34.8	Very low	30.3	Very low	115 Å²	115	126.4 Å²	126.4	80%	0.804	77%	0.774	S	S	*	*			trans	-156	172.3	-166	-63.4	0	0	0	0	111.1
73	E	33.3	Very low	30.6	Very low	162 Å²	162	128.1 Å²	128.1	76%	0.757	78%	0.777	S	S	*	*			cis	-124.2	-107.3	11	-170.1	-160.6	99.2	0	0	113.4	A75	E73-A75 PolarHBondContact OE1-N 3.18Å
74	I	30.5	Very low	30.7	Very low	153 Å²	153	129.5 Å²	129.5	79%	0.785	77%	0.771	S	S	*	*			cis	-145	129.3	6.4	-70.5	172.9	0	0	0	111.3
75	A	28.9	Very low	30.8	Very low	64 Å²	64	127.6 Å²	127.6	53%	0.529	76%	0.764	S	S	.	*			trans	49.4	96	149.9	0	0	0	0	0	123.2	E73	E73-A75 PolarHBondContact OE1-N 3.18Å
76	S	30.3	Very low	31.2	Very low	115 Å²	115	130 Å²	130	80%	0.804	77%	0.774	S	S	*	*				50.1	121.7	116.8	68.8	0	0	0	0	125.6
77	S	29.1	Very low	31.3	Very low	111 Å²	111	128 Å²	128	78%	0.776	77%	0.766	S	S	*	*			trans	-163.6	133	132.2	46.4	0	0	0	0	108.8
78	V	31.6	Very low	31.3	Very low	128 Å²	128	124.9 Å²	124.9	78%	0.776	77%	0.771	S	S	*	*				68.5	114.9	62.9	174.3	0	0	0	0	111.1
79	T	30.4	Very low	31.4	Very low	117 Å²	117	124.9 Å²	124.9	72%	0.718	77%	0.774	S	S	*	*			cis	-160	163.6	9.7	8.2	0	0	0	0	113.2
80	D	30.8	Very low	31.6	Very low	144 Å²	144	121.1 Å²	121.1	77%	0.77	77%	0.772	S	S	*	*			trans	29.3	130.5	150.7	-60.7	-34.9	0	0	0	124
81	S	30.7	Very low	32	Very low	132 Å²	132	124 Å²	124	92%	0.923	78%	0.777	S	S	*	*				-169.4	163.9	119.6	-80.3	0	0	0	0	111.4
82	A	32.7	Very low	32.2	Very low	87 Å²	87	122 Å²	122	72%	0.719	78%	0.775	S	S	*	*			trans	-130.6	153.2	-158.1	0	0	0	0	0	116.4
83	L	34.8	Very low	32.1	Very low	163 Å²	163	122.5 Å²	122.5	85%	0.853	77%	0.773	S	S	*	*			trans	64	159.7	158.1	-61.9	167.2	0	0	0	116.8
84	D	31.5	Very low	32.2	Very low	128 Å²	128	120.7 Å²	120.7	68%	0.684	78%	0.778	S	S	*	*			cis	-158.9	166.5	26.6	-149.3	-42.7	0	0	0	113.6
85	S	30	Very low	32.2	Very low	95 Å²	95	116.4 Å²	116.4	66%	0.664	77%	0.772	S	S	*	*			trans	55.1	127.7	153.1	-71.3	0	0	0	0	122.7
86	F	33.7	Very low	32.4	Very low	200 Å²	200	123.4 Å²	123.4	88%	0.877	79%	0.791	S	S	*	*				76.1	141.1	69.8	-115.9	-113.3	0	0	0	115.1
87	S	34.9	Very low	32.7	Very low	93 Å²	93	123 Å²	123	65%	0.65	79%	0.788	S	S	*	*			cis	-175.7	158.5	-24.6	-93.1	0	0	0	0	110.6
88	G	30.4	Very low	33.6	Very low	72 Å²	72	124.1 Å²	124.1	74%	0.742	79%	0.792	S	S	*	*			trans	88.4	140	166.2	0	0	0	0	0	115.8
89	S	37.8	Very low	33.8	Very low	130 Å²	130	128.8 Å²	128.8	91%	0.909	80%	0.796	S	S	*	*			cis	94.7	98.3	18.5	-55.8	0	0	0	0	116.6
90	A	31.6	Very low	34	Very low	108 Å²	108	131.6 Å²	131.6	89%	0.893	80%	0.801	S	S	*	*			trans	-162.2	145.8	153.6	0	0	0	0	0	114.7
91	I	38.2	Very low	34	Very low	173 Å²	173	129.5 Å²	129.5	89%	0.887	79%	0.794	S	S	*	*			trans	-66.7	155	-178.6	-63.9	152.8	0	0	0	114.2
92	G	29.5	Very low	34.2	Very low	73 Å²	73	132.5 Å²	132.5	75%	0.753	79%	0.793	S	S	*	*			trans	-170.5	149.1	164.5	0	0	0	0	0	114.2
93	T	33.9	Very low	34.2	Very low	125 Å²	125	135.6 Å²	135.6	77%	0.767	79%	0.792	S	S	*	*			trans	-134.4	153.9	-169.8	52.3	0	0	0	0	114.6
94	S	34.1	Very low	33.9	Very low	124 Å²	124	136.2 Å²	136.2	87%	0.867	79%	0.789	S	S	*	*			trans	64.2	153.2	172.1	71.4	0	0	0	0	116.7
95	G	31.9	Very low	34	Very low	63 Å²	63	135.7 Å²	135.7	65%	0.649	80%	0.795	S	S	*	*			cis	133.2	99.3	-9	0	0	0	0	0	113.8
96	F	32.6	Very low	35.1	Very low	211 Å²	211	136.5 Å²	136.5	93%	0.925	80%	0.798	S	S	*	*			trans	-166.5	161.3	162.9	-116.3	-77.2	0	0	0	111.4
97	S	36.1	Very low	35	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	79%	0.792	S	S	*	*			trans	-129.7	159.2	170.3	-52.8	0	0	0	0	111.1
98	P	47.8	Very low	35.1	Very low	134 Å²	134	136.3 Å²	136.3	87%	0.87	79%	0.792	S	S	*	*			trans	-130.9	170.3	137.7	36.8	-26.7	0	0	0	113.3
99	R	35.8	Very low	35.3	Very low	226 Å²	226	142.4 Å²	142.4	85%	0.853	79%	0.794	S	S	*	*			trans	-145.2	130.3	-169.3	173.7	-163.6	-174.8	-149.7	5.9	111.2
100	Q	34.8	Very low	36.1	Very low	177 Å²	177	142.1 Å²	142.1	83%	0.827	79%	0.789	S	S	*	*			trans	-176.5	113.9	150.9	-105.6	162.2	78.8	0	0	110
101	T	31	Very low	36.3	Very low	100 Å²	100	141.4 Å²	141.4	61%	0.613	78%	0.778	S	S	*	*				85.4	125.5	84.8	54.4	0	0	0	0	116.2
102	H	34.5	Very low	36	Very low	194 Å²	194	140.7 Å²	140.7	90%	0.898	78%	0.776	S	S	*	*			trans	-169.6	179.1	130.4	-96	-59.7	0	0	0	110.4
103	Q	32.8	Very low	36.4	Very low	153 Å²	153	147.8 Å²	147.8	72%	0.715	78%	0.78	S	S	*	*			trans	-153.3	162	-148.9	-161.9	179.2	1.4	0	0	114.5
104	F	29.5	Very low	36	Very low	176 Å²	176	147.9 Å²	147.9	77%	0.772	78%	0.78	S	S	*	*			trans	87.2	167	164.9	-64.4	-71.8	0	0	0	121.9
105	S	32.8	Very low	35.8	Very low	117 Å²	117	152.6 Å²	152.6	82%	0.818	78%	0.78	S	S	*	*			trans	-140.3	-129.1	-173.8	-47.3	0	0	0	0	110.4
106	P	52.1	Low	37.3	Very low	111 Å²	111	154.4 Å²	154.4	72%	0.721	78%	0.781	S	S	*	*			cis	-144.9	-171.3	-7.9	44.5	-23.9	0	0	0	117.6
107	Q	33.4	Very low	37.1	Very low	161 Å²	161	152.3 Å²	152.3	75%	0.752	77%	0.773	S	S	*	*			trans	77.8	125.4	150.6	-62.6	-51.2	20.7	0	0	127.5
108	I	36.2	Very low	37.1	Very low	128 Å²	128	154 Å²	154	66%	0.656	77%	0.772	S	S	*	*				87.3	113.2	123.5	-68.5	171.4	0	0	0	125.7
109	Y	34.1	Very low	36.2	Very low	201 Å²	201	155.1 Å²	155.1	79%	0.788	77%	0.771	S	S	*	*			trans	53.8	168.6	140	-78.5	-99.1	0	0	0	122.7
110	P	55.2	Low	36.9	Very low	124 Å²	124	149.8 Å²	149.8	81%	0.805	77%	0.765	S	S	*	*			cis	-132.9	-154.4	16.1	43.9	-23.3	0	0	0	118.2
111	S	35.4	Very low	37	Very low	93 Å²	93	147.6 Å²	147.6	65%	0.65	76%	0.764	S	S	*	*			trans	-148.3	158.8	-154.2	45.8	0	0	0	0	117.1
112	N	31.9	Very low	37.6	Very low	158 Å²	158	149.1 Å²	149.1	85%	0.845	78%	0.776	S	S	*	*			trans	-172	167.3	152.2	-107.1	-42.2	0	0	0	119
113	R	38.5	Very low	37.7	Very low	222 Å²	222	145.8 Å²	145.8	84%	0.838	77%	0.774	S	S	*	*			trans	-51.7	174.4	-169.5	-61.1	174.7	174.6	178.2	-2.9	119.5
114	T	25.9	Very low	37.8	Very low	126 Å²	126	143.7 Å²	143.7	77%	0.773	78%	0.777	S	S	*	*			cis	-167.8	177.3	42	-32.3	0	0	0	0	114.5
115	Y	28.6	Very low	38.1	Very low	224 Å²	224	144.5 Å²	144.5	88%	0.878	78%	0.783	S	S	*	*			trans	-135.8	-173.7	179.8	-67.4	-81	0	0	0	111.5
116	P	63.3	Low	38	Very low	101 Å²	101	147 Å²	147	66%	0.656	79%	0.787	S	S	*	*			cis	-137.2	-164.6	-1.6	45.7	-27	0	0	0	115.8
117	H	30.1	Very low	37.1	Very low	166 Å²	166	150.9 Å²	150.9	77%	0.769	80%	0.798	S	S	*	*			trans	162.2	107.1	133.6	-90.5	-72.9	0	0	0	118.1
118	I	34.7	Very low	37.3	Very low	141 Å²	141	147.6 Å²	147.6	72%	0.723	80%	0.798	S	S	*	*			trans	44.1	114.7	131.7	-55.4	177.9	0	0	0	124.8
119	L	30.1	Very low	36.9	Very low	159 Å²	159	146.3 Å²	146.3	83%	0.832	81%	0.807	S	S	*	*			trans	45.1	166.1	138.2	-91.2	70.1	0	0	0	124.5
120	P	50.5	Low	36.7	Very low	114 Å²	114	148.3 Å²	148.3	74%	0.74	81%	0.814	S	S	*	*			cis	-136.7	-168.3	-16.9	37.5	-15.7	0	0	0	117
121	T	36.8	Very low	35.6	Very low	131 Å²	131	145.9 Å²	145.9	80%	0.804	81%	0.812	S	S	*	*			trans	-73.9	168	-175.7	55.8	0	0	0	0	118.5
122	P	43.3	Very low	35.4	Very low	132 Å²	132	149.4 Å²	149.4	86%	0.857	82%	0.818	S	S	*	*				-145	-173.8	102	41.6	-27.6	0	0	0	115.8
123	S	36.8	Very low	35.4	Very low	123 Å²	123	147.6 Å²	147.6	86%	0.86	81%	0.813	S	S	*	*			trans	-142.6	161.4	-174.1	58.1	0	0	0	0	115.1
124	S	35.3	Very low	35	Very low	110 Å²	110	143.3 Å²	143.3	77%	0.769	80%	0.803	S	S	*	*			trans	-152.6	128.4	173.5	44.1	0	0	0	0	108.6
125	Q	34.3	Very low	35.2	Very low	192 Å²	192	146.6 Å²	146.6	90%	0.897	80%	0.802	S	S	*	*				96.1	115.3	57.1	-86.2	-167.9	-16.6	0	0	113.4
126	N	31.5	Very low	35.2	Very low	170 Å²	170	141.4 Å²	141.4	91%	0.909	79%	0.794	S	S	*	*			trans	-95.4	153.4	169.4	-81.2	-19.3	0	0	0	110.8
127	M	33.1	Very low	33.8	Very low	193 Å²	193	143 Å²	143	95%	0.951	80%	0.802	S	S	*	*			trans	-86.7	164.7	174	-77.5	-154.4	72.8	0	0	113.7
128	A	37.3	Very low	33.8	Very low	91 Å²	91	138.2 Å²	138.2	75%	0.752	80%	0.798	S	S	*	*			trans	-110.8	171.2	-170.4	0	0	0	0	0	113.8
129	A	27.7	Very low	33.6	Very low	102 Å²	102	139 Å²	139	84%	0.843	80%	0.8	S	S	*	*			trans	-124.8	151.8	162.2	0	0	0	0	0	109.8
130	Y	30.3	Very low	33.6	Very low	242 Å²	242	139.8 Å²	139.8	95%	0.949	80%	0.799	S	S	*	*			trans	-123.1	147	-170.5	-117.2	-95.4	0	0	0	111.1
131	G	32.5	Very low	32.6	Very low	73 Å²	73	143.5 Å²	143.5	75%	0.753	81%	0.807	S	S	*	*			trans	162.2	123.6	169.9	0	0	0	0	0	113.1
132	Q	30.1	Very low	32.2	Very low	167 Å²	167	141.7 Å²	141.7	78%	0.78	81%	0.805	S	S	*	*			trans	-158.7	131.1	-173	-128.8	-77.8	3.9	0	0	111.4
133	T	31.9	Very low	31.4	Very low	121 Å²	121	140.6 Å²	140.6	74%	0.742	81%	0.807	S	S	*	*			trans	167.4	149.2	158.7	23.8	0	0	0	0	109.6
134	Q	30.3	Very low	31	Very low	132 Å²	132	139.2 Å²	139.2	62%	0.617	80%	0.804	S	S	*	*			cis	-167.8	145.6	-25.1	-127.3	179.2	11.2	0	0	110.6
135	Y	30.7	Very low	30.7	Very low	195 Å²	195	145.3 Å²	145.3	77%	0.765	81%	0.811	S	S	*	*			trans	59	159.4	158.7	-63.5	-54.6	0	0	0	120.5
136	T	29.3	Very low	30.4	Very low	115 Å²	115	140.6 Å²	140.6	71%	0.706	81%	0.805	S	S	*	*			cis	-163.1	142.4	-36.3	-149.5	0	0	0	0	107.9
137	T	32.3	Very low	30.1	Very low	135 Å²	135	137.9 Å²	137.9	83%	0.828	80%	0.799	S	S	*	*				164.1	145.7	104	-41.5	0	0	0	0	106.4
138	G	30.1	Very low	29.9	Very low	65 Å²	65	138.9 Å²	138.9	67%	0.67	79%	0.794	S	S	*	*			cis	174.9	-169.7	-7.5	0	0	0	0	0	111.8
139	M	31.8	Very low	29.7	Very low	158 Å²	158	140 Å²	140	78%	0.778	79%	0.794	S	S	*	*			trans	71.6	86	166.8	-58.1	-86.8	79.4	0	0	120.8
140	Q	30.1	Very low	29.8	Very low	174 Å²	174	143.8 Å²	143.8	81%	0.813	79%	0.794	S	S	*	*				54.9	145.7	122.6	-74.5	177	-43.3	0	0	125.3
141	Q	30.1	Very low	29.9	Very low	192 Å²	192	137.6 Å²	137.6	90%	0.897	78%	0.784	S	S	*	*			trans	-67.5	152.4	-176.7	-59.4	156.3	-51.4	0	0	117.2
142	A	27.1	Very low	29.8	Very low	94 Å²	94	137.2 Å²	137.2	78%	0.777	78%	0.78	S	S	*	*			trans	-157.4	124.7	141.6	0	0	0	0	0	107.3
143	A	27.8	Very low	29.9	Very low	108 Å²	108	138 Å²	138	89%	0.893	78%	0.783	S	S	*	*				81.6	144	70.3	0	0	0	0	0	113.5
144	A	28.3	Very low	30.4	Very low	95 Å²	95	136.3 Å²	136.3	79%	0.785	77%	0.774	S	S	*	*			trans	-107.5	153.9	-162.1	0	0	0	0	0	115
145	Y	28.5	Very low	30.4	Very low	237 Å²	237	141 Å²	141	93%	0.929	79%	0.788	S	S	*	*			trans	29.5	117.3	160.4	-89.4	-85.6	0	0	0	120.2
146	A	26.6	Very low	30.3	Very low	94 Å²	94	134.9 Å²	134.9	78%	0.777	79%	0.785	S	S	*	*			trans	-135.6	146.6	150.6	0	0	0	0	0	109.3
147	S	26.8	Very low	30.5	Very low	112 Å²	112	137 Å²	137	78%	0.783	79%	0.79	S	S	*	*			trans	-108.4	153.3	-179.2	-172.4	0	0	0	0	111.4
148	Y	27.7	Very low	30.8	Very low	215 Å²	215	136.6 Å²	136.6	84%	0.843	79%	0.79	S	S	*	*			trans	-132.3	154.4	173.9	-95.7	-96.4	0	0	0	111.2
149	P	34.6	Very low	30.7	Very low	115 Å²	115	136.6 Å²	136.6	75%	0.747	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-100.7	162.7	-154.4	38.3	-36	0	0	0	115.9
150	Q	29.2	Very low	30.7	Very low	180 Å²	180	140.2 Å²	140.2	84%	0.841	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-93.1	147	165.5	-77.2	-80.9	11.1	0	0	111.5
151	P	32.7	Very low	30.6	Very low	113 Å²	113	135.7 Å²	135.7	73%	0.734	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-83.4	148.4	168.7	33.4	-32.8	0	0	0	113.1
152	G	29.5	Very low	31	Very low	65 Å²	65	134.1 Å²	134.1	67%	0.67	79%	0.786	S	S	*	*			trans	-77.8	-177	168.9	0	0	0	0	0	112.7
153	Q	32.9	Very low	31.1	Very low	182 Å²	182	139.5 Å²	139.5	85%	0.85	79%	0.792	S	S	*	*			cis	-166.9	-162.4	35.2	-76.1	-73.1	-0.3	0	0	108.1
154	P	41.6	Very low	31.3	Very low	86 Å²	86	139.6 Å²	139.6	56%	0.558	78%	0.781	S	S	*	*				-130.4	177.5	-58.6	32.6	-14.1	0	0	0	115.1
155	Y	29.8	Very low	31.7	Very low	230 Å²	230	143.6 Å²	143.6	90%	0.902	78%	0.784	S	S	*	*			trans	69.8	150.9	169.9	-58.4	-77.1	0	0	0	118.4
156	G	29.4	Very low	31.7	Very low	68 Å²	68	136.4 Å²	136.4	70%	0.701	78%	0.782	S	S	*	*			cis	168	140.2	-8.8	0	0	0	0	0	113.1
157	I	33.4	Very low	31.7	Very low	160 Å²	160	136 Å²	136	82%	0.821	79%	0.786	S	S	*	*			trans	-139.9	139.5	-174.3	-57.3	174.9	0	0	0	111.5
158	P	38	Very low	32.1	Very low	125 Å²	125	138.8 Å²	138.8	81%	0.812	79%	0.791	S	S	*	*			trans	-98.4	148.9	159.1	36.7	-29.6	0	0	0	112.2
159	A	27.8	Very low	32.3	Very low	65 Å²	65	134 Å²	134	54%	0.537	79%	0.789	S	S	.	*			trans	-135.1	-162.2	-170.6	0	0	0	0	0	113.5
160	Y	32.6	Very low	32.1	Very low	235 Å²	235	137.4 Å²	137.4	92%	0.922	80%	0.795	S	S	*	*			trans	79.7	138.4	171.5	-35.1	-65	0	0	0	116.1
161	G	29.1	Very low	32.1	Very low	78 Å²	78	133.6 Å²	133.6	80%	0.804	79%	0.789	S	S	*	*			cis	-173.6	178.2	-1.6	0	0	0	0	0	114.2
162	I	37.3	Very low	31.9	Very low	159 Å²	159	137.1 Å²	137.1	82%	0.815	80%	0.796	S	S	*	*			trans	-108.6	146	-174.6	-60.6	164.6	0	0	0	110.6
163	K	28.8	Very low	31.9	Very low	208 Å²	208	139.4 Å²	139.4	90%	0.904	80%	0.801	S	S	*	*			trans	-146.7	163.5	155.5	-75.7	-153.2	174	-170.7	0	112.9
164	T	33.2	Very low	32.4	Very low	109 Å²	109	137 Å²	137	67%	0.669	80%	0.802	S	S	*	*			trans	-120.7	174	-164.8	43.5	0	0	0	0	114.4
165	E	35.2	Very low	31.8	Very low	180 Å²	180	136.4 Å²	136.4	84%	0.841	81%	0.81	S	S	*	*			trans	74.1	123.7	152.4	-73.3	149.9	-98.8	0	0	122.3
166	G	29.2	Very low	31.9	Very low	86 Å²	86	134.2 Å²	134.2	89%	0.887	81%	0.808	S	S	*	*				98.7	131.8	118.8	0	0	0	0	0	120
167	G	27.6	Very low	31.9	Very low	84 Å²	84	137.2 Å²	137.2	87%	0.866	81%	0.813	S	S	*	*			trans	132.2	136.2	156.3	0	0	0	0	0	117
168	L	35.1	Very low	31.8	Very low	171 Å²	171	133.1 Å²	133.1	90%	0.895	81%	0.811	S	S	*	*			trans	-113	144	173.1	-78.5	160.8	0	0	0	110.7
169	S	31.2	Very low	31.6	Very low	114 Å²	114	136.7 Å²	136.7	80%	0.797	81%	0.814	S	S	*	*				172.1	139.8	126	42.4	0	0	0	0	115.8
170	Q	30.1	Very low	31.8	Very low	187 Å²	187	141 Å²	141	87%	0.874	83%	0.827	S	S	*	*			trans	37.7	123.4	144	-69.9	-173	-0.6	0	0	120.2
171	S	29.5	Very low	31.7	Very low	101 Å²	101	133.9 Å²	133.9	71%	0.706	81%	0.812	S	S	*	*				166.5	178.4	53.7	47.6	0	0	0	0	112.7
172	Q	28.8	Very low	31.8	Very low	187 Å²	187	141.3 Å²	141.3	87%	0.874	82%	0.817	S	S	*	*			trans	78.5	108.9	162.6	-57.3	-166.3	12.8	0	0	120.7
173	S	29.1	Very low	31.5	Very low	113 Å²	113	136.7 Å²	136.7	79%	0.79	81%	0.809	S	S	*	*			trans	-99.9	-175.3	145.6	-36.2	0	0	0	0	107.7
174	P	42.8	Very low	31.7	Very low	132 Å²	132	133 Å²	133	86%	0.857	81%	0.809	S	S	*	*			cis	-145	-179.3	16	44.1	-24.2	0	0	0	118.1
175	G	30.5	Very low	31.6	Very low	72 Å²	72	131 Å²	131	74%	0.742	81%	0.81	S	S	*	*			trans	109	148.3	157.5	0	0	0	0	0	116
176	Q	31.3	Very low	31.5	Very low	184 Å²	184	132.4 Å²	132.4	86%	0.86	81%	0.814	S	S	*	*			cis	-155.6	153.2	-10.8	-143.5	-177.6	31.2	0	0	111.7
177	T	29.5	Very low	31.5	Very low	131 Å²	131	134.5 Å²	134.5	80%	0.804	81%	0.809	S	S	*	*			trans	-6.2	135.9	165.5	51.2	0	0	0	0	121.9
178	G	31.7	Very low	32	Very low	75 Å²	75	136.6 Å²	136.6	77%	0.773	81%	0.805	S	S	*	*			trans	-162.6	140.9	155.9	0	0	0	0	0	111.1
179	F	32.8	Very low	32.4	Very low	200 Å²	200	134.8 Å²	134.8	88%	0.877	80%	0.804	S	S	*	*			trans	-149.1	159.8	-168.1	-137.3	-86	0	0	0	112.2
180	L	33.4	Very low	32.3	Very low	155 Å²	155	137.6 Å²	137.6	81%	0.812	80%	0.804	S	S	*	*			trans	73.3	160.3	174.8	-50.6	171	0	0	0	116.8
181	S	29.6	Very low	32.5	Very low	86 Å²	86	135 Å²	135	60%	0.601	80%	0.801	S	S	*	*			cis	-173.5	171.1	-38	-166.2	0	0	0	0	109.7
182	Y	30.2	Very low	32.6	Very low	234 Å²	234	133.7 Å²	133.7	92%	0.918	80%	0.804	S	S	*	*			trans	67	156.6	176.8	-58.1	-86.5	0	0	0	116.8
183	G	31.3	Very low	32.7	Very low	62 Å²	62	134.2 Å²	134.2	64%	0.639	81%	0.806	S	S	*	*			cis	163.9	105.2	-11.4	0	0	0	0	0	115.8
184	S	33.1	Very low	32.7	Very low	131 Å²	131	133 Å²	133	92%	0.916	80%	0.802	S	S	*	*			trans	48	127.3	152.2	61.7	0	0	0	0	124
185	G	30.9	Very low	32.8	Very low	65 Å²	65	131.6 Å²	131.6	67%	0.67	79%	0.794	S	S	*	*				132.3	113	119.3	0	0	0	0	0	122.2
186	F	34.3	Very low	32.6	Very low	211 Å²	211	138.7 Å²	138.7	93%	0.925	80%	0.8	S	S	*	*			trans	60	167.5	149.3	-70.7	-90.3	0	0	0	119.4
187	T	28.8	Very low	32.4	Very low	129 Å²	129	134 Å²	134	79%	0.791	79%	0.787	S	S	*	*			cis	-138.4	176.8	13.6	48.3	0	0	0	0	113.2
188	T	37.6	Very low	32.2	Very low	128 Å²	128	137.8 Å²	137.8	79%	0.785	79%	0.788	S	S	*	*			trans	-88.4	173	169.3	51.6	0	0	0	0	113.2
189	P	44.6	Very low	32	Very low	133 Å²	133	141.1 Å²	141.1	86%	0.864	78%	0.784	S	S	*	*				-149.6	-172.9	111.7	39.8	-23.1	0	0	0	115.4
190	Q	29.1	Very low	31.9	Very low	174 Å²	174	140 Å²	140	81%	0.813	78%	0.783	S	S	*	*			trans	-142.1	133.5	-172.8	-164.2	-170.2	9.6	0	0	114.3
191	T	33.1	Very low	31.8	Very low	132 Å²	132	141.3 Å²	141.3	81%	0.81	79%	0.785	S	S	*	*			trans	50.7	137.4	157	51.1	0	0	0	0	123.5
192	G	31.9	Very low	31.7	Very low	73 Å²	73	141 Å²	141	75%	0.753	80%	0.796	S	S	*	*			trans	177.2	64.4	163.6	0	0	0	0	0	121.5
193	Q	30.2	Very low	31.6	Very low	199 Å²	199	134.1 Å²	134.1	93%	0.93	80%	0.795	S	S	*	*			trans	63.1	166.1	158.3	-65.5	-66.9	-10.3	0	0	120.7
194	A	30.8	Very low	31.3	Very low	86 Å²	86	135.9 Å²	135.9	71%	0.711	80%	0.798	S	S	*	*			trans	-131.3	-178.5	-169.1	0	0	0	0	0	113
195	P	43.5	Very low	31	Very low	104 Å²	104	138.5 Å²	138.5	68%	0.675	79%	0.793	S	S	*	*				-158.2	170	80.9	43.6	-23.8	0	0	0	119.4
196	Y	28.1	Very low	30.8	Very low	221 Å²	221	141 Å²	141	87%	0.867	80%	0.796	S	S	*	*			trans	64.4	145.9	158.6	-67.2	-56.2	0	0	0	120.5
197	S	25.5	Very low	30.5	Very low	85 Å²	85	138 Å²	138	59%	0.594	80%	0.795	S	S	*	*			cis	-167.5	160.3	-8.2	55.4	0	0	0	0	113.3
198	Y	26.5	Very low	30.4	Very low	211 Å²	211	137.8 Å²	137.8	83%	0.827	79%	0.794	S	S	*	*			trans	67	143	166.8	-77.6	-84.3	0	0	0	116.8
199	Q	26.2	Very low	30.2	Very low	145 Å²	145	137.8 Å²	137.8	68%	0.678	80%	0.798	S	S	*	*			cis	-155.6	136	-6.6	-169	167.3	-8.4	0	0	111
200	M	31.8	Very low	29.4	Very low	175 Å²	175	135.2 Å²	135.2	86%	0.862	80%	0.797	S	S	*	*			trans	178.4	144.8	133.4	-96.6	-53.6	169.1	0	0	111
201	Q	29.8	Very low	29.5	Very low	184 Å²	184	135 Å²	135	86%	0.86	80%	0.8	S	S	*	*			trans	-81.3	156.8	169.6	-81.1	153.2	-93.5	0	0	110.3
202	G	28.6	Very low	29.4	Very low	80 Å²	80	139.6 Å²	139.6	83%	0.825	80%	0.804	S	S	*	*			cis	142.8	81.2	2.4	0	0	0	0	0	110
203	G	27.1	Very low	29.2	Very low	88 Å²	88	141.1 Å²	141.1	91%	0.907	81%	0.81	S	S	*	*			trans	-125.8	99.4	-173.9	0	0	0	0	0	112.2
204	S	25	Very low	29.2	Very low	99 Å²	99	135.1 Å²	135.1	69%	0.692	80%	0.801	S	S	*	*			trans	-130.6	138.4	162.2	176.7	0	0	0	0	106.7
205	F	26.7	Very low	29.1	Very low	187 Å²	187	139.4 Å²	139.4	82%	0.82	81%	0.812	S	S	*	*			trans	176.9	137.9	134.3	-94	-60.9	0	0	0	111.2
206	T	28.6	Very low	28.8	Very low	117 Å²	117	141.2 Å²	141.2	72%	0.718	82%	0.816	S	S	*	*			trans	6.5	129.8	152.6	53.8	0	0	0	0	120.1
207	T	26.8	Very low	28.8	Very low	148 Å²	148	135.9 Å²	135.9	91%	0.908	81%	0.811	S	S	*	*			trans	-128.7	124.7	145.5	42.8	0	0	0	0	110.9
208	T	27.6	Very low	29.2	Very low	125 Å²	125	139.5 Å²	139.5	77%	0.767	82%	0.823	S	S	*	*			trans	-99.4	157.7	168.7	-28	0	0	0	0	109
209	S	32.3	Very low	29.6	Very low	127 Å²	127	136 Å²	136	89%	0.888	82%	0.823	S	S	*	*			trans	74.3	143.3	162.3	-53.1	0	0	0	0	117.8
210	G	28.5	Very low	29.8	Very low	80 Å²	80	136.8 Å²	136.8	83%	0.825	83%	0.833	S	S	*	*			trans	-175.6	43.4	-178	0	0	0	0	0	113
211	L	31.4	Very low	29.8	Very low	168 Å²	168	133.7 Å²	133.7	88%	0.88	83%	0.828	S	S	*	*			trans	-73.1	156.4	169.9	-84.7	167.8	0	0	0	110.9	A213	L211-A213 PolarHBondContact O-N 3.22Å
212	Y	29.8	Very low	30.1	Very low	229 Å²	229	131.9 Å²	131.9	90%	0.898	83%	0.83	S	S	*	*			trans	-55.8	130	-177.9	-73.5	-99.1	0	0	0	113.1	G214	Y212-G214 PolarHBondContact O-N 3.41Å
213	A	29	Very low	30.2	Very low	106 Å²	106	131.3 Å²	131.3	88%	0.876	82%	0.824	S	S	*	*			trans	-84.8	100.3	166.7	0	0	0	0	0	109.9	L211	L211-A213 PolarHBondContact O-N 3.22Å
214	G	29.8	Very low	30.6	Very low	72 Å²	72	136.9 Å²	136.9	74%	0.742	82%	0.824	S	S	*	*			trans	-77.6	138.8	165.6	0	0	0	0	0	111	Y212 N216	Y212-G214 PolarHBondContact O-N 3.41Å; G214-N216 PolarHBondContact O-N 2.88Å
215	N	28.7	Very low	30.7	Very low	177 Å²	177	139.5 Å²	139.5	95%	0.947	83%	0.83	S	S	*	*			trans	-67.9	115.1	171.6	-95.8	-16	0	0	0	110.6
216	N	36.9	Very low	31.1	Very low	141 Å²	141	135 Å²	135	75%	0.754	82%	0.822	S	S	*	*			trans	-153	129.3	134.9	-147.3	-14.9	0	0	0	112.1	G214	G214-N216 PolarHBondContact O-N 2.88Å
217	S	28.5	Very low	31.2	Very low	110 Å²	110	136.4 Å²	136.4	77%	0.769	83%	0.83	S	S	*	*			trans	-102.9	111.7	-179.7	57.1	0	0	0	0	110.5
218	L	33.1	Very low	31.5	Very low	161 Å²	161	137.8 Å²	137.8	84%	0.843	83%	0.827	S	S	*	*			trans	-129.8	125	170.6	-94.7	156.9	0	0	0	110.3
219	T	35.4	Very low	31.7	Very low	136 Å²	136	139.8 Å²	139.8	83%	0.834	83%	0.827	S	S	*	*			trans	-94.8	124.8	-171.1	48.4	0	0	0	0	112.2
220	N	30.4	Very low	31.5	Very low	163 Å²	163	140.5 Å²	140.5	87%	0.872	82%	0.821	S	S	*	*			trans	-157.1	147.7	137	-137.7	-17.6	0	0	0	112.1
221	S	32.8	Very low	31.7	Very low	109 Å²	109	146.6 Å²	146.6	76%	0.762	82%	0.821	S	S	*	*			trans	-145.9	107.3	-175.6	59.4	0	0	0	0	113.2
222	T	34.8	Very low	32.4	Very low	146 Å²	146	144.8 Å²	144.8	90%	0.896	82%	0.819	S	S	*	*			trans	-145.7	151.1	160	54.5	0	0	0	0	107.3
223	G	31.6	Very low	32.4	Very low	69 Å²	69	136.6 Å²	136.6	71%	0.711	81%	0.805	S	S	*	*			cis	-177.7	141.7	-8.3	0	0	0	0	0	108.6
224	F	34.9	Very low	32.7	Very low	205 Å²	205	142.1 Å²	142.1	90%	0.899	80%	0.804	S	S	*	*			trans	-57.5	142.9	-175.8	-83.8	-103	0	0	0	113.7
225	N	28	Very low	33.4	Very low	153 Å²	153	144.5 Å²	144.5	82%	0.818	81%	0.807	S	S	*	*				-160.6	166.8	107.9	-136.4	-29	0	0	0	114
226	S	33.5	Very low	33.6	Very low	93 Å²	93	139 Å²	139	65%	0.65	79%	0.792	S	S	*	*			trans	-147.8	135.2	179.9	58.4	0	0	0	0	111.3
227	T	31.4	Very low	33.4	Very low	146 Å²	146	143.2 Å²	143.2	90%	0.896	80%	0.804	S	S	*	*			trans	-152.2	161.4	166.7	5.8	0	0	0	0	112.3
228	Q	32.7	Very low	33.5	Very low	178 Å²	178	141.7 Å²	141.7	83%	0.832	81%	0.805	S	S	*	*			trans	-93.9	161.3	-173.2	-58.1	159.4	-13.6	0	0	111.4
229	Q	33.2	Very low	33.4	Very low	167 Å²	167	143.8 Å²	143.8	78%	0.78	81%	0.811	S	S	*	*				177.4	134.4	102.5	-91.2	-161.7	-88.3	0	0	114.3
230	D	28.3	Very low	33.3	Very low	142 Å²	142	140.6 Å²	140.6	76%	0.759	81%	0.805	S	S	*	*			trans	55.6	154.5	140.1	-64.9	-63.4	0	0	0	125.2
231	Y	32.2	Very low	33.2	Very low	207 Å²	207	141.7 Å²	141.7	81%	0.812	80%	0.804	S	S	*	*			trans	-125.5	136	-174.6	-146.4	-96.1	0	0	0	109.2
232	P	44.8	Very low	33.1	Very low	130 Å²	130	146.5 Å²	146.5	84%	0.844	81%	0.808	S	S	*	*				-142.2	170.1	116	34.2	-19.2	0	0	0	111.4
233	G	30.5	Very low	32.9	Very low	58 Å²	58	143.3 Å²	143.3	60%	0.598	80%	0.796	S	S	*	*			cis	163.6	140	2.4	0	0	0	0	0	108.4
234	Y	35.5	Very low	32.7	Very low	221 Å²	221	147.5 Å²	147.5	87%	0.867	80%	0.797	S	S	*	*			trans	-69.6	152.6	-171.3	-105.2	-93.1	0	0	0	114.3
235	P	43.5	Very low	32.4	Very low	123 Å²	123	148.3 Å²	148.3	80%	0.799	80%	0.795	S	S	*	*				-130.9	169.2	113	38.6	-32.1	0	0	0	112.7
236	G	33.8	Very low	32.6	Very low	61 Å²	61	151.5 Å²	151.5	63%	0.629	80%	0.797	S	S	*	*			trans	-153	-155.7	-174.9	0	0	0	0	0	115.5
237	F	33	Very low	32.3	Very low	230 Å²	230	154.7 Å²	154.7	100%	1.009	81%	0.807	S	S	*	*			trans	79.5	136.6	-174.3	-84.9	-86.8	0	0	0	118.7
238	G	30.2	Very low	32.2	Very low	78 Å²	78	151.9 Å²	151.9	80%	0.804	79%	0.794	S	S	*	*			trans	165.7	101.3	173.2	0	0	0	0	0	111.7
239	Q	32.1	Very low	32.4	Very low	205 Å²	205	148.8 Å²	148.8	96%	0.958	79%	0.792	S	S	*	*			trans	-96.4	150.5	167.4	-86.8	-156.4	27.9	0	0	110.4
240	G	32.4	Very low	33.3	Very low	68 Å²	68	146.2 Å²	146.2	70%	0.701	79%	0.79	S	S	*	*			trans	158.4	100.1	154.1	0	0	0	0	0	119.5
241	Q	29.1	Very low	33.5	Very low	186 Å²	186	149.7 Å²	149.7	87%	0.869	79%	0.794	S	S	*	*			trans	68.7	163.8	131.9	-64.8	-67.9	10.1	0	0	123.1
242	Y	30.7	Very low	33.4	Very low	211 Å²	211	145.5 Å²	145.5	83%	0.827	79%	0.789	S	S	*	*			trans	-89.6	154.6	-172	-86.3	-104.2	0	0	0	115.5
243	A	29	Very low	32.6	Very low	78 Å²	78	144.4 Å²	144.4	65%	0.645	79%	0.785	S	S	*	*			trans	-139.9	137	140.7	0	0	0	0	0	106.6
244	Q	28.6	Very low	34	Very low	157 Å²	157	146.4 Å²	146.4	73%	0.734	79%	0.787	S	S	*	*			cis	65.8	96.9	25.8	-70.2	-66.1	-11.7	0	0	115.2
245	Y	28.6	Very low	33.9	Very low	223 Å²	223	145.8 Å²	145.8	88%	0.875	79%	0.785	S	S	*	*			trans	-134.9	128.7	165.4	-99	-85.2	0	0	0	109.9
246	Y	32.2	Very low	33.4	Very low	219 Å²	219	146.8 Å²	146.8	86%	0.859	78%	0.781	S	S	*	*			trans	-145.4	125.7	176.9	-128.3	-74.5	0	0	0	107.4
247	N	25.9	Very low	33.2	Very low	160 Å²	160	149.4 Å²	149.4	86%	0.856	79%	0.785	S	S	*	*			trans	-162.7	167.7	149.9	-149	-4.7	0	0	0	111.2
248	S	30	Very low	33.2	Very low	87 Å²	87	143.3 Å²	143.3	61%	0.608	77%	0.77	S	S	*	*			trans	-149.1	150.2	-158.6	53.8	0	0	0	0	116
249	S	37.5	Very low	33.3	Very low	113 Å²	113	146 Å²	146	79%	0.79	77%	0.766	S	S	*	*			trans	71.5	170	155.3	-58	0	0	0	0	116.9
250	P	51.5	Low	33.5	Very low	114 Å²	114	142.3 Å²	142.3	74%	0.74	75%	0.753	S	S	*	*			cis	-136.6	174.2	9.4	42.3	-24	0	0	0	119.1
251	Y	32.9	Very low	33.5	Very low	215 Å²	215	145 Å²	145	84%	0.843	76%	0.756	S	S	*	*			trans	7.2	150.6	152.7	-76.9	-95.7	0	0	0	122.1
252	T	28.9	Very low	33.7	Very low	118 Å²	118	141.4 Å²	141.4	72%	0.724	75%	0.752	S	S	*	*				-166.3	141.7	50.5	49.4	0	0	0	0	116.7
253	S	29.7	Very low	34.5	Very low	108 Å²	108	137.1 Å²	137.1	76%	0.755	75%	0.75	S	S	*	*			trans	55.6	176.8	132.1	-57.4	0	0	0	0	123.6
254	P	59.2	Low	34.7	Very low	99 Å²	99	138.7 Å²	138.7	64%	0.643	76%	0.756	S	S	*	*			cis	-141.8	179.8	-38.2	31.3	-7.8	0	0	0	118.4
255	Y	32.3	Very low	35	Very low	209 Å²	209	137.5 Å²	137.5	82%	0.82	76%	0.76	S	S	*	*			trans	68.8	152.7	167.7	-56.9	-89.3	0	0	0	118.7
256	M	33.3	Very low	35.5	Very low	144 Å²	144	132.7 Å²	132.7	71%	0.709	76%	0.756	S	S	*	*			cis	-164.6	156.6	-12.9	-109.9	-71.4	-175.1	0	0	113.6
257	T	31	Very low	35.5	Very low	116 Å²	116	127.1 Å²	127.1	71%	0.712	75%	0.749	S	S	*	*			trans	33.4	141.5	155.6	53.4	0	0	0	0	121.5
258	S	33.3	Very low	35.8	Very low	101 Å²	101	125.7 Å²	125.7	71%	0.706	75%	0.746	S	S	*	*			cis	-169.7	-178.4	3.2	-102.2	0	0	0	0	107.6
259	N	30.3	Very low	35.8	Very low	134 Å²	134	127.3 Å²	127.3	72%	0.717	75%	0.753	S	S	*	*			cis	-139.5	174.8	10.1	-116.5	-2.8	0	0	0	107.8
260	N	37.9	Very low	35.4	Very low	128 Å²	128	127.7 Å²	127.7	68%	0.684	75%	0.75	S	S	*	*			cis	73.7	120.4	45.6	-137.1	18.2	0	0	0	113.8
261	T	31.3	Very low	34.3	Very low	125 Å²	125	127.1 Å²	127.1	77%	0.767	75%	0.745	S	S	*	*			cis	-128.4	151.4	26.3	45.2	0	0	0	0	116.9
262	S	33.8	Very low	34.1	Very low	110 Å²	110	126.8 Å²	126.8	77%	0.769	74%	0.744	S	S	*	*			trans	-101.7	-176.6	164.3	-39.3	0	0	0	0	110.3
263	P	46.9	Very low	34	Very low	121 Å²	121	127.2 Å²	127.2	79%	0.786	75%	0.746	S	S	*	*			cis	-138.6	-176.9	49.4	37.2	-15.7	0	0	0	114.1
264	S	32.7	Very low	34.5	Very low	112 Å²	112	130.5 Å²	130.5	78%	0.783	75%	0.754	S	S	*	*			cis	-157.7	164.3	-16.4	38	0	0	0	0	110.7
265	T	35.4	Very low	32.9	Very low	132 Å²	132	135 Å²	135	81%	0.81	77%	0.766	S	S	*	*			trans	-80.4	-173.9	174.4	49.9	0	0	0	0	111.9
266	P	39.7	Very low	33.1	Very low	122 Å²	122	133.4 Å²	133.4	79%	0.792	77%	0.767	S	S	*	*			cis	-140.4	-166.3	11.7	44.4	-23.5	0	0	0	117.4
267	S	31.3	Very low	33.4	Very low	102 Å²	102	131.9 Å²	131.9	71%	0.713	77%	0.768	S	S	*	*			trans	-112.2	155.6	-167.1	-39.7	0	0	0	0	114.7
268	T	32.4	Very low	34	Very low	129 Å²	129	132.3 Å²	132.3	79%	0.791	77%	0.772	S	S	*	*			trans	58.6	134.5	149.6	56.4	0	0	0	0	119.5
269	T	29.6	Very low	34.1	Very low	122 Å²	122	132.7 Å²	132.7	75%	0.748	78%	0.781	S	S	*	*				-175.2	161.9	69.9	28.4	0	0	0	0	113.7
270	T	29.5	Very low	34.1	Very low	120 Å²	120	129.5 Å²	129.5	74%	0.736	78%	0.78	S	S	*	*			trans	62.2	114.3	149.8	48.4	0	0	0	0	124
271	T	29.6	Very low	33.9	Very low	103 Å²	103	131.1 Å²	131.1	63%	0.632	79%	0.787	S	S	*	*				54.8	123.6	115.4	-40.4	0	0	0	0	121.7
272	Y	28.3	Very low	33.8	Very low	208 Å²	208	131.5 Å²	131.5	82%	0.816	79%	0.79	S	S	*	*				174.9	144.9	113.3	-97.3	-67.1	0	0	0	115.3
273	T	27.7	Very low	33.6	Very low	127 Å²	127	131.6 Å²	131.6	78%	0.779	79%	0.79	S	S	*	*			trans	39.7	131.5	156.1	45.7	0	0	0	0	123.8
274	L	38.7	Very low	32.8	Very low	177 Å²	177	134.8 Å²	134.8	93%	0.927	80%	0.795	S	S	*	*			trans	-69.6	149.9	152.6	-94.8	68.8	0	0	0	111.7
275	Q	26.3	Very low	32.6	Very low	192 Å²	192	133.9 Å²	133.9	90%	0.897	79%	0.794	S	S	*	*			trans	-151.4	143.9	158.2	-170.2	165.8	-12.1	0	0	111.5
276	E	35.9	Very low	32.3	Very low	176 Å²	176	136 Å²	136	82%	0.822	80%	0.799	S	S	*	*			trans	-107.6	142.3	-177.2	-178.3	-172.4	-170.2	0	0	111.1
277	P	39.9	Very low	32	Very low	113 Å²	113	136.3 Å²	136.3	73%	0.734	80%	0.799	S	S	*	*			trans	-153.5	-176.3	131.1	40.3	-23.5	0	0	0	114.1
278	P	44.3	Very low	31.8	Very low	125 Å²	125	139.1 Å²	139.1	81%	0.812	81%	0.806	S	S	*	*				-129.3	-174.3	-55.2	39.6	-23.7	0	0	0	112.3
279	A	33.8	Very low	31.8	Very low	108 Å²	108	139.6 Å²	139.6	89%	0.893	80%	0.804	S	S	*	*			trans	-107.7	165.4	-172.9	0	0	0	0	0	116.1
280	G	30.4	Very low	32.9	Very low	67 Å²	67	139.3 Å²	139.3	69%	0.691	80%	0.804	S	S	*	*			trans	-177.6	122.5	166.4	0	0	0	0	0	116.9
281	I	34.2	Very low	32.9	Very low	163 Å²	163	137.9 Å²	137.9	84%	0.836	81%	0.805	S	S	*	*			trans	25.6	137.4	144.2	51.5	173.7	0	0	0	120.7
282	T	29.3	Very low	33	Very low	133 Å²	133	137.1 Å²	137.1	82%	0.816	81%	0.809	S	S	*	*			cis	-150.8	-160.1	15.6	-8.2	0	0	0	0	109.5
283	S	30.2	Very low	33.1	Very low	112 Å²	112	135.4 Å²	135.4	78%	0.783	81%	0.808	S	S	*	*			cis	-154.2	-148.4	20.1	-160.4	0	0	0	0	112.8
284	Q	29.5	Very low	33.3	Very low	188 Å²	188	139.5 Å²	139.5	88%	0.879	81%	0.811	S	S	*	*			trans	-103.7	173.3	-171.5	-66.7	-178.9	-52.1	0	0	116.3
285	A	29.6	Very low	32.9	Very low	93 Å²	93	135.1 Å²	135.1	77%	0.769	80%	0.795	S	S	*	*			trans	-107.7	168.4	168.3	0	0	0	0	0	112.4
286	L	27.5	Very low	33.1	Very low	175 Å²	175	132.4 Å²	132.4	92%	0.916	79%	0.792	S	S	*	*			trans	-140.9	153.3	172.5	-75.6	176.4	0	0	0	112.1
287	T	34.1	Very low	33.1	Very low	130 Å²	130	130.4 Å²	130.4	80%	0.798	79%	0.785	S	S	*	*			trans	-121.3	152.7	175	50.2	0	0	0	0	110.2
288	D	26.8	Very low	32.7	Very low	160 Å²	160	133 Å²	133	86%	0.856	79%	0.787	S	S	*	*				-171	178.3	112	-138.9	-26.2	0	0	0	113.4
289	N	33.4	Very low	32.2	Very low	140 Å²	140	132.2 Å²	132.2	75%	0.749	79%	0.785	S	S	*	*			trans	-91.7	-155.7	-173.7	-132.4	-3.1	0	0	0	111.8
290	P	52.5	Low	32.6	Very low	116 Å²	116	132.6 Å²	132.6	75%	0.753	78%	0.778	S	S	*	*			cis	-116.1	-179.4	-0.4	43.4	-28.8	0	0	0	113.3
291	A	29.7	Very low	32.7	Very low	90 Å²	90	133.7 Å²	133.7	74%	0.744	78%	0.775	S	S	*	*			cis	-171.7	178	36.7	0	0	0	0	0	109.4
292	A	30.5	Very low	32.5	Very low	87 Å²	87	132.1 Å²	132.1	72%	0.719	77%	0.773	S	S	*	*			cis	-168	175.1	-11.5	0	0	0	0	0	111.3
293	E	30.1	Very low	33.1	Very low	171 Å²	171	130.8 Å²	130.8	80%	0.799	77%	0.767	S	S	*	*			trans	17	124.8	156.2	-59.3	179.7	163.7	0	0	121.3
294	Y	32.4	Very low	33.2	Very low	213 Å²	213	132.5 Å²	132.5	84%	0.835	77%	0.766	S	S	*	*				-158.8	115.9	82.1	-131.9	-103.8	0	0	0	116.3
295	S	30.2	Very low	33.4	Very low	85 Å²	85	131.8 Å²	131.8	59%	0.594	76%	0.76	S	S	*	*			trans	40.6	116.4	135	-49.1	0	0	0	0	125.7
296	T	31.7	Very low	33.3	Very low	135 Å²	135	135 Å²	135	83%	0.828	76%	0.764	S	S	*	*			trans	68.6	157.2	139.6	26	0	0	0	0	121
297	I	35	Very low	33.5	Very low	135 Å²	135	131.4 Å²	131.4	69%	0.692	75%	0.753	S	S	*	*			cis	-142.3	167	4.9	-33.8	159.3	0	0	0	110.5
298	H	31.6	Very low	33.7	Very low	167 Å²	167	132.9 Å²	132.9	77%	0.773	76%	0.756	S	S	*	*			trans	96.6	148.5	151.3	-76.5	-66.8	0	0	0	122.6
299	S	32.8	Very low	33.9	Very low	109 Å²	109	131.1 Å²	131.1	76%	0.762	76%	0.757	S	S	*	*			trans	-153.9	171.8	177.9	-54.3	0	0	0	0	106.1
300	P	43.4	Very low	34.1	Very low	115 Å²	115	131.7 Å²	131.7	75%	0.747	76%	0.76	S	S	*	*			cis	-148.8	-171.4	23.5	43.2	-21.2	0	0	0	118.3
301	S	31.5	Very low	33.3	Very low	91 Å²	91	136.8 Å²	136.8	64%	0.636	76%	0.764	S	S	*	*			trans	88.1	100.4	144.9	-62.6	0	0	0	0	123.5
302	T	31.7	Very low	33.5	Very low	129 Å²	129	140.2 Å²	140.2	79%	0.791	77%	0.769	S	S	*	*				64.6	160.3	126.3	59.6	0	0	0	0	122.2
303	P	40.9	Very low	33.9	Very low	105 Å²	105	147.8 Å²	147.8	68%	0.682	78%	0.779	S	S	*	*			cis	-137	-165.8	-25.4	30.5	-7.1	0	0	0	114.1
304	I	32.4	Very low	34	Very low	148 Å²	148	151.8 Å²	151.8	76%	0.759	79%	0.787	S	S	*	*			trans	94.1	94.7	158.3	-57.9	170.7	0	0	0	117.9
305	K	32.8	Very low	34.1	Very low	174 Å²	174	146.5 Å²	146.5	76%	0.757	79%	0.787	S	S	*	*				54.1	115.9	124.2	-167.9	-163.8	178.8	-167.6	0	120
306	D	28.8	Very low	34.2	Very low	161 Å²	161	148.1 Å²	148.1	86%	0.861	80%	0.798	S	S	*	*				-137.3	171.3	126.3	-113	-37	0	0	0	110.5
307	S	31.5	Very low	34.6	Very low	98 Å²	98	149.4 Å²	149.4	69%	0.685	80%	0.801	S	S	*	*			trans	-154.5	120.9	-178.7	-60.8	0	0	0	0	113.1
308	D	37.3	Very low	34.5	Very low	161 Å²	161	146.2 Å²	146.2	86%	0.861	80%	0.8	S	S	*	*			trans	-63.2	147.3	175.1	-62.7	-68.1	0	0	0	113.1
309	S	32.3	Very low	35	Very low	123 Å²	123	148.6 Å²	148.6	86%	0.86	81%	0.809	S	S	*	*			trans	-159.8	71.1	163.8	-80.4	0	0	0	0	111.8
310	D	38	Very low	35.1	Very low	153 Å²	153	148.7 Å²	148.7	82%	0.818	81%	0.81	S	S	*	*			trans	-68.9	129.5	163	-176.4	6.6	0	0	0	110.1
311	R	33.9	Very low	35.3	Very low	222 Å²	222	155.5 Å²	155.5	84%	0.838	82%	0.82	S	S	*	*			trans	-172.2	114.3	159.4	-107.6	156.3	-166.7	-149.6	2.5	116.2
312	L	34.5	Very low	35.4	Very low	163 Å²	163	154.6 Å²	154.6	85%	0.853	83%	0.825	S	S	*	*			trans	74.3	146.2	137.3	-67	168.8	0	0	0	121.2
313	R	39.5	Very low	36.1	Very low	245 Å²	245	160.6 Å²	160.6	93%	0.925	83%	0.834	S	S	*	*			trans	-85.1	150.1	-177.2	-57.1	171.1	175.8	174.5	-3.4	112.5
314	R	31.9	Very low	35.9	Very low	255 Å²	255	158.5 Å²	158.5	96%	0.962	83%	0.831	S	S	*	*			trans	-149.1	142	142.8	-128.1	176.1	-173.3	176.9	2.1	111
315	A	34.1	Very low	36.9	Very low	103 Å²	103	163.7 Å²	163.7	85%	0.851	84%	0.841	S	S	*	*			trans	-92.9	154.8	177.7	0	0	0	0	0	111.4
316	S	33.5	Very low	37.6	Very low	118 Å²	118	166.1 Å²	166.1	83%	0.825	85%	0.845	S	S	*	*			trans	-149.1	130.4	162.8	-175.6	0	0	0	0	109.4
317	D	39.5	Very low	38.6	Very low	163 Å²	163	164.2 Å²	164.2	87%	0.872	84%	0.835	S	S	*	*			trans	-64.1	152.4	166.5	-90	-78	0	0	0	111.5
318	G	32.9	Very low	39.3	Very low	67 Å²	67	163.8 Å²	163.8	69%	0.691	83%	0.825	S	S	*	*			trans	-167.5	77.2	-177.6	0	0	0	0	0	113.5	S320	G318-S320 PolarHBondContact O-N 3.06Å
319	K	41.4	Very low	40.1	Very low	217 Å²	217	157 Å²	157	94%	0.943	79%	0.789	S	S	*	*			trans	-64.1	112.5	175.3	-75.1	176.2	178.1	169.1	0	111.2
320	S	34.8	Very low	41.1	Very low	112 Å²	112	156.3 Å²	156.3	78%	0.783	78%	0.782	S	S	*	*			trans	-126.2	126	166.7	61.9	0	0	0	0	111.3	G318 G322	G318-S320 PolarHBondContact O-N 3.06Å; S320-G322 PolarHBondContact O-N 3.17Å; S320-G322 VanDerWaalsContact O-N 3.1Å
321	R	48.2	Very low	41.8	Very low	258 Å²	258	152.5 Å²	152.5	97%	0.974	77%	0.767	S	S	*	*			trans	-80.6	83.6	177.3	-82.2	176.8	161.5	152.8	-7.8	110	R323	R321-R323 PolarHBondContact O-N 3.22Å
322	G	32.3	Very low	43.1	Very low	72 Å²	72	143.8 Å²	143.8	74%	0.742	74%	0.739	S	S	*	*			trans	-77.4	101.1	176.9	0	0	0	0	0	113.1	S320 G324	S320-G322 PolarHBondContact O-N 3.17Å; S320-G322 VanDerWaalsContact O-N 3.1Å; G322-G324 PolarHBondContact O-N 3.1Å
323	R	48.3	Very low	44	Very low	255 Å²	255	140.2 Å²	140.2	96%	0.962	73%	0.725	S	S	*	*			trans	-76.2	67.2	169.1	-169.6	-174.4	-175.6	-175.6	2.1	110.3	R321 R325	R321-R323 PolarHBondContact O-N 3.22Å; R323-R325 PolarHBondContact O-N 2.92Å
324	G	35.1	Very low	44.7	Very low	61 Å²	61	134.3 Å²	134.3	63%	0.629	72%	0.719	S	S	*	*			trans	-84.6	110.4	-173.9	0	0	0	0	0	113.4	G322 R326	G322-G324 PolarHBondContact O-N 3.1Å; G324-R326 PolarHBondContact O-N 3.29Å
325	R	53.8	Low	45.6	Very low	257 Å²	257	128.9 Å²	128.9	97%	0.97	71%	0.709	S	S	*	*			trans	-62.7	111.5	149.2	-88.6	-176.3	167.4	-173.6	-4.7	107.1	R323	R323-R325 PolarHBondContact O-N 2.92Å
326	R	47.1	Very low	47	Very low	225 Å²	225	126.3 Å²	126.3	85%	0.849	69%	0.685	S	S	*	*			trans	-124.2	131.6	164.1	-74.9	-174.2	171.5	180	-3.7	107.6	G324 N328	G324-R326 PolarHBondContact O-N 3.29Å; R326-N328 PolarHBondContact O-N 3.32Å
327	N	50.6	Low	49.3	Very low	120 Å²	120	127.6 Å²	127.6	64%	0.642	68%	0.682	S	S	*	*			trans	-68.7	124	169.7	-164.9	22.4	0	0	0	106.7	N329	N327-N329 PolarHBondContact O-N 3.33Å
328	N	45.3	Very low	51.8	Low	90 Å²	90	120.8 Å²	120.8	48%	0.481	65%	0.646	S	S	.	*	S	Bend	trans	-74.1	-6	-174	-89.6	-6.5	0	0	0	113.6	R326 P330 S408	R326-N328 PolarHBondContact O-N 3.32Å; N328-P330 WeakPolarHBondContact O-CD 3.28Å; N328-S408 WeakPolarHBondContact CB-OG 3.41Å; N328-S408 PolarHBondContact ND2-O 2.76Å; N328-S408 PolarHBondContact ND2-OG 3.5Å
329	N	54.7	Low	54.8	Low	18 Å²	18	122.9 Å²	122.9	10%	0.096	64%	0.638	C	S	.	*	S	Bend	trans	-86.4	112.4	168.3	-152.7	-49.7	0	0	0	108.9	N327 S331 H403 R561	N327-N329 PolarHBondContact O-N 3.33Å; N329-S331 PolarHBondContact O-N 3.18Å; N329-H403 PolarHBondContact ND2-CE1 3.3Å; N329-H403 VanDerWaalsContact ND2-CE1 3.26Å; N329-R561 VanDerWaalsContact CG-NE 3.31Å; N329-R561 PolarHBondContact ND2-NE 3.23Å; N329-R561 PolarHBondContact OD1-NE 3.49Å
330	P	53.8	Low	57.4	Low	109 Å²	109	115.9 Å²	115.9	71%	0.708	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-65.3	118.4	173.7	27.5	-32.3	0	0	0	108.7	N328	N328-P330 WeakPolarHBondContact O-CD 3.28Å
331	S	53.4	Low	60.4	Low	73 Å²	73	110.5 Å²	110.5	51%	0.51	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-52.7	146.4	163.4	-65.7	0	0	0	0	109.3	N329	N329-S331 PolarHBondContact O-N 3.18Å
332	P	60	Low	62.8	Low	38 Å²	38	98.2 Å²	98.2	25%	0.247	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-50.4	147.6	171	-23.7	32.7	0	0	0	110.7	L338 R561 F562	P332-L338 HydrophobicContact CG-CD2 4.47Å; P332-R561 WeakPolarHBondContact CD-O 3.41Å; P332-F562 HydrophobicContact CG-CD1 3.82Å; P332-F562 HydrophobicContact CG-CE1 4.37Å
333	P	54.6	Low	66	Low	88 Å²	88	94.8 Å²	94.8	57%	0.571	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-54.9	153.2	174.6	24.9	-33.8	0	0	0	110.5	D335 S336	P333-D335 PolarHBondContact O-N 2.94Å; P333-S336 WeakPolarHBondContact O-CB 3.24Å; P333-S336 PolarHBondContact O-N 3.06Å
334	P	53.3	Low	68.4	Low	121 Å²	121	82.8 Å²	82.8	79%	0.786	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.4	-176.5	25	-34.5	0	0	0	113.4
335	D	51.7	Low	71.4	Confident	141 Å²	141	80.5 Å²	80.5	75%	0.754	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	42.6	174.4	-45.3	-64.1	0	0	0	111	P333	P333-D335 PolarHBondContact O-N 2.94Å
336	S	62.8	Low	73.6	Confident	50 Å²	50	68.2 Å²	68.2	35%	0.35	37%	0.368	S	S	.	.			trans	-87.5	114.7	174.3	-178.9	0	0	0	0	109.7	P333 L338	P333-S336 WeakPolarHBondContact O-CB 3.24Å; P333-S336 PolarHBondContact O-N 3.06Å; S336-L338 PolarHBondContact O-N 3.03Å; S336-L338 WeakPolarHBondContact OG-CB 3.43Å
337	D	82.9	Confident	76	Confident	144 Å²	144	58.4 Å²	58.4	77%	0.77	33%	0.333	S	S	*	.			trans	-70.1	33.7	172.8	-57.4	-45.6	0	0	0	113.1	E339 N511	D337-E339 PolarHBondContact O-N 2.83Å; D337-N511 VanDerWaalsContact O-CA 3.29Å; D337-N511 WeakPolarHBondContact O-CA 3.33Å; D337-N511 VanDerWaalsContact O-CB 3.24Å; D337-N511 WeakPolarHBondContact O-CB 3.29Å
338	L	91.9	Very high	78.2	Confident	21 Å²	21	54.5 Å²	54.5	11%	0.11	31%	0.31	C	S	.	.			trans	-82.8	103.6	178.2	177.2	64.8	0	0	0	108.6	P332 S336 R340 V341 V513 F562 V566	P332-L338 HydrophobicContact CG-CD2 4.47Å; S336-L338 PolarHBondContact O-N 3.03Å; S336-L338 WeakPolarHBondContact OG-CB 3.43Å; L338-R340 WeakPolarHBondContact CD1-O 3.5Å; L338-V341 HydrophobicContact CD1-CG2 4.39Å; L338-V341 HydrophobicContact CD2-CG2 4.12Å; L338-V513 HydrophobicContact CD1-CB 4.15Å; L338-V513 HydrophobicContact CD1-CG2 3.64Å; L338-F562 HydrophobicContact CD2-CB 4.17Å; L338-F562 HydrophobicContact CD2-CD1 3.46Å; L338-F562 VanDerWaalsContact CD2-CD1 3.46Å; L338-F562 HydrophobicContact CD2-CE1 4.22Å; L338-F562 HydrophobicContact CD2-CG 4.16Å; L338-V566 HydrophobicContact CD2-CG2 4.1Å; L338-V566 HydrophobicContact CG-CG1 4.22Å; L338-V566 HydrophobicContact CG-CG2 4.13Å
339	E	94	Very high	80.8	Confident	111 Å²	111	50.2 Å²	50.2	52%	0.519	29%	0.287	S	S	.	.			trans	-88.5	-37	179.1	-64.6	-176.5	139.7	0	0	111.8	D337 N511 V567	D337-E339 PolarHBondContact O-N 2.83Å; E339-N511 HydrophobicContact CB-CB 4.3Å; E339-N511 HydrophobicContact CG-CB 4.16Å; E339-N511 PolarHBondContact N-O 2.8Å; E339-N511 PolarHBondContact OE2-ND2 2.9Å; E339-V567 PolarHBondContact O-N 3.46Å
340	R	96.9	Very high	82.9	Confident	69 Å²	69	49.3 Å²	49.3	26%	0.26	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	139	-168	-48.6	-161.4	-175	-137.9	6.1	114.5	L338 F342 N511 C512 V513 V567 I569 L609	L338-R340 WeakPolarHBondContact CD1-O 3.5Å; R340-F342 HydrophobicContact CB-CE2 3.8Å; R340-F342 HydrophobicContact CB-CZ 4.25Å; R340-N511 PolarHBondContact N-O 3.21Å; R340-C512 CarbonylContact O-C 3.52Å; R340-C512 VanDerWaalsContact O-CA 3.3Å; R340-C512 WeakPolarHBondContact O-CA 3.35Å; R340-V513 PolarHBondContact O-N 3.37Å; R340-V567 CarbonylContact C-O 3.59Å; R340-V567 VanDerWaalsContact CA-O 3.32Å; R340-V567 WeakPolarHBondContact CA-O 3.24Å; R340-V567 HydrophobicContact CG-CB 4.47Å; R340-I569 HydrophobicContact CB-CD1 4.23Å; R340-L609 WeakPolarHBondContact CD-OXT 3.37Å; R340-L609 PolarHBondContact NE-OXT 3.14Å; R340-L609 PolarHBondContact NH1-OXT 2.79Å
341	V	98.4	Very high	85	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	121	172	162.4	0	0	0	0	109	L338 I343 V513 I515 V558 F562 V566 V567 Y568 I569	L338-V341 HydrophobicContact CD1-CG2 4.39Å; L338-V341 HydrophobicContact CD2-CG2 4.12Å; V341-I343 HydrophobicContact CG1-CD1 4.49Å; V341-I343 HydrophobicContact CG1-CG1 3.83Å; V341-V513 WeakPolarHBondContact CA-O 3.14Å; V341-V513 HydrophobicContact CG2-CB 4.2Å; V341-I515 HydrophobicContact CG1-CB 4.48Å; V341-I515 HydrophobicContact CG1-CG1 3.62Å; V341-V558 HydrophobicContact CG1-CG1 4.12Å; V341-F562 HydrophobicContact CG2-CB 4.34Å; V341-F562 HydrophobicContact CG2-CD1 4.43Å; V341-F562 HydrophobicContact CG2-CD2 4.29Å; V341-F562 HydrophobicContact CG2-CG 4.11Å; V341-V566 HydrophobicContact CB-CG1 4Å; V341-V566 HydrophobicContact CG2-CG1 3.71Å; V341-V567 PolarHBondContact N-O 2.91Å; V341-Y568 HydrophobicContact CB-CD1 3.66Å; V341-Y568 HydrophobicContact CB-CE1 3.84Å; V341-Y568 HydrophobicContact CG1-CD1 3.65Å; V341-Y568 HydrophobicContact CG1-CE1 3.89Å; V341-Y568 HydrophobicContact CG2-CE1 4.22Å; V341-Y568 WeakPolarHBondContact O-CA 3.45Å; V341-I569 PolarHBondContact O-N 3.16Å
342	F	98.8	Very high	87.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	112.5	177.7	-63.8	-89.5	0	0	0	108.8	R340 I506 C512 V513 I515 I569 I571 L604 L609	R340-F342 HydrophobicContact CB-CE2 3.8Å; R340-F342 HydrophobicContact CB-CZ 4.25Å; F342-I506 HydrophobicContact CB-CD1 4.05Å; F342-I506 HydrophobicContact CD1-CD1 3.84Å; F342-I506 HydrophobicContact CD2-CB 4.37Å; F342-I506 HydrophobicContact CD2-CD1 3.85Å; F342-I506 HydrophobicContact CD2-CG1 3.9Å; F342-I506 HydrophobicContact CD2-CG2 3.5Å; F342-I506 VanDerWaalsContact CD2-CG2 3.5Å; F342-I506 HydrophobicContact CE1-CD1 4.23Å; F342-I506 HydrophobicContact CE2-CD1 4.24Å; F342-I506 HydrophobicContact CE2-CG1 3.95Å; F342-I506 HydrophobicContact CE2-CG2 4.02Å; F342-I506 HydrophobicContact CG-CD1 3.62Å; F342-I506 HydrophobicContact CG-CG1 4.2Å; F342-I506 HydrophobicContact CG-CG2 4.21Å; F342-I506 HydrophobicContact CZ-CD1 4.41Å; F342-I506 HydrophobicContact CZ-CG1 4.29Å; F342-C512 HydrophobicContact CD2-CB 4.44Å; F342-C512 HydrophobicContact CE2-CB 4.04Å; F342-V513 PolarHBondContact N-O 2.66Å; F342-I515 PolarHBondContact O-N 2.93Å; F342-I569 CarbonylContact C-O 3.59Å; F342-I569 WeakPolarHBondContact CA-O 3.3Å; F342-I569 HydrophobicContact CD1-CB 3.86Å; F342-I569 HydrophobicContact CD1-CD1 4.22Å; F342-I569 HydrophobicContact CD1-CG1 4.34Å; F342-I569 HydrophobicContact CD1-CG2 4.26Å; F342-I569 HydrophobicContact CE1-CB 4.06Å; F342-I569 HydrophobicContact CE1-CD1 3.84Å; F342-I569 HydrophobicContact CE1-CG1 4.06Å; F342-I569 HydrophobicContact CE1-CG2 4.42Å; F342-I569 HydrophobicContact CZ-CD1 4.08Å; F342-I571 HydrophobicContact CB-CD1 4.28Å; F342-I571 HydrophobicContact CD1-CD1 4.01Å; F342-L604 HydrophobicContact CE1-CD2 3.83Å; F342-L604 HydrophobicContact CZ-CD2 3.73Å; F342-L609 HydrophobicContact CE1-CB 4.41Å; F342-L609 VanDerWaalsContact CZ-OXT 3.3Å; F342-L609 WeakPolarHBondContact CZ-OXT 3.21Å
343	I	98.8	Very high	89	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	107.7	-178	-47.6	-178.4	0	0	0	108.4	V341 I515 V517 F555 V558 Y568 I569 V570 I571 M586	V341-I343 HydrophobicContact CG1-CD1 4.49Å; V341-I343 HydrophobicContact CG1-CG1 3.83Å; I343-I515 HydrophobicContact CG2-CG2 4.38Å; I343-V517 HydrophobicContact CG2-CB 4.2Å; I343-V517 HydrophobicContact CG2-CG2 3.46Å; I343-V517 VanDerWaalsContact CG2-CG2 3.46Å; I343-F555 HydrophobicContact CD1-CD1 4.2Å; I343-F555 HydrophobicContact CG2-CD1 3.95Å; I343-F555 HydrophobicContact CG2-CE1 3.63Å; I343-V558 HydrophobicContact CD1-CB 4.48Å; I343-V558 HydrophobicContact CD1-CG1 3.89Å; I343-V558 HydrophobicContact CG1-CG1 4.38Å; I343-Y568 HydrophobicContact CD1-CD1 4.07Å; I343-I569 PolarHBondContact N-O 3.17Å; I343-V570 HydrophobicContact CB-CG2 4.3Å; I343-V570 HydrophobicContact CD1-CG2 4.36Å; I343-V570 CarbonylContact O-C 3.58Å; I343-V570 WeakPolarHBondContact O-CA 3.48Å; I343-I571 PolarHBondContact O-N 3.39Å; I343-M586 HydrophobicContact CD1-CE 4.42Å; I343-M586 HydrophobicContact CD1-SD 4.28Å
344	W	98.9	Very high	91	Very high	2 Å²	2	41 Å²	41	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	148.1	-176.3	-62.8	81.2	0	0	0	112.1	T349 I350 A502 L503 I506 N514 I515 L516 V517 F538 I571 L600	W344-T349 HydrophobicContact CE3-CG2 4.18Å; W344-I350 HydrophobicContact CB-CD1 3.73Å; W344-I350 HydrophobicContact CB-CG1 4.49Å; W344-I350 HydrophobicContact CD2-CD1 3.99Å; W344-I350 HydrophobicContact CD2-CG1 4.24Å; W344-I350 HydrophobicContact CE3-CD1 3.84Å; W344-I350 HydrophobicContact CE3-CG1 3.57Å; W344-I350 HydrophobicContact CG-CD1 4Å; W344-I350 HydrophobicContact CZ3-CG1 4.07Å; W344-A502 HydrophobicContact CH2-CB 4.03Å; W344-A502 HydrophobicContact CZ2-CB 4.45Å; W344-L503 HydrophobicContact CD2-CD2 3.86Å; W344-L503 HydrophobicContact CE3-CD2 4.46Å; W344-L503 HydrophobicContact CG-CD2 4.26Å; W344-L503 HydrophobicContact CH2-CD2 4.18Å; W344-L503 HydrophobicContact CH2-CG 4.04Å; W344-L503 HydrophobicContact CZ2-CD2 3.54Å; W344-L503 HydrophobicContact CZ2-CG 3.8Å; W344-I506 HydrophobicContact CZ2-CD1 3.84Å; W344-N514 PolarHBondContact NE1-OD1 3.1Å; W344-I515 PolarHBondContact N-O 2.99Å; W344-L516 HydrophobicContact CB-CD1 4.12Å; W344-V517 PolarHBondContact O-N 3.4Å; W344-F538 HydrophobicContact CB-CZ 4.34Å; W344-F538 HydrophobicContact CG-CZ 4.24Å; W344-I571 CarbonylContact C-O 3.58Å; W344-I571 WeakPolarHBondContact CA-O 3.32Å; W344-I571 HydrophobicContact CD2-CB 4.15Å; W344-I571 HydrophobicContact CD2-CD1 3.75Å; W344-I571 HydrophobicContact CD2-CG2 4.3Å; W344-I571 VanDerWaalsContact CE2-CD1 3.49Å; W344-I571 HydrophobicContact CE3-CB 3.98Å; W344-I571 HydrophobicContact CE3-CD1 4.08Å; W344-I571 HydrophobicContact CE3-CG2 3.64Å; W344-I571 HydrophobicContact CG-CD1 4.38Å; W344-I571 HydrophobicContact CH2-CD1 4.01Å; W344-I571 HydrophobicContact CH2-CG2 4.5Å; W344-I571 HydrophobicContact CZ2-CD1 3.64Å; W344-I571 HydrophobicContact CZ3-CB 4.47Å; W344-I571 HydrophobicContact CZ3-CD1 4.2Å; W344-I571 HydrophobicContact CZ3-CG2 3.76Å; W344-L600 HydrophobicContact CH2-CD2 3.54Å; W344-L600 HydrophobicContact CZ2-CD2 4.33Å; W344-L600 HydrophobicContact CZ3-CD2 3.94Å
345	D	98.8	Very high	93.1	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.07	18%	0.181	C	C	.	.			trans	-83.8	163.6	151.1	-155.8	-2.4	0	0	0	111.4	I350 T518 K551 I571	D345-I350 WeakPolarHBondContact O-CD1 3.3Å; D345-I350 WeakPolarHBondContact O-CG1 3.47Å; D345-T518 WeakPolarHBondContact OD1-CA 3.42Å; D345-K551 IonicContact OD1-NZ 3.89Å; D345-K551 WeakPolarHBondContact OD2-CE 3.49Å; D345-K551 IonicContact OD2-NZ 2.77Å; D345-K551 PolarHBondContact OD2-NZ 3.44Å; D345-I571 PolarHBondContact N-O 2.97Å
346	L	98.8	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.			trans	-94.4	-71.1	-177.1	-179.9	58.2	0	0	0	111.8	I350 I351 L516 T518 K528 V529 L534	L346-I350 PolarHBondContact O-N 2.88Å; L346-I351 HydrophobicContact CD1-CD1 3.96Å; L346-I351 HydrophobicContact CD1-CG1 4.08Å; L346-I351 HydrophobicContact CD1-CG2 4.11Å; L346-I351 HydrophobicContact CD2-CD1 4.45Å; L346-I351 HydrophobicContact CG-CD1 3.89Å; L346-I351 HydrophobicContact CG-CG1 4.11Å; L346-I351 WeakPolarHBondContact O-CG1 3.4Å; L346-I351 PolarHBondContact O-N 3.37Å; L346-L516 HydrophobicContact CB-CD1 3.99Å; L346-L516 HydrophobicContact CB-CD2 4.35Å; L346-L516 HydrophobicContact CB-CG 4.43Å; L346-L516 HydrophobicContact CD1-CD1 4.47Å; L346-L516 HydrophobicContact CD1-CD2 4.24Å; L346-L516 HydrophobicContact CD2-CD2 4.39Å; L346-T518 HydrophobicContact CB-CG2 4.45Å; L346-T518 HydrophobicContact CD2-CG2 4.3Å; L346-K528 HydrophobicContact CD2-CB 3.92Å; L346-K528 HydrophobicContact CD2-CD 3.67Å; L346-K528 HydrophobicContact CD2-CG 4.46Å; L346-V529 HydrophobicContact CD1-CG2 4.32Å; L346-V529 HydrophobicContact CD2-CG2 4.42Å; L346-L534 HydrophobicContact CD1-CD1 3.76Å
347	D	97.8	Very high	97	Very high	19 Å²	19	28.2 Å²	28.2	10%	0.102	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-71.9	139.2	-174.2	-63.7	-89.2	0	0	0	110.6	T349 I351 F353 T520 K528	D347-T349 PolarHBondContact O-N 3.24Å; D347-I351 CarbonylContact C-O 3.56Å; D347-F353 WeakPolarHBondContact OD1-CD1 3.41Å; D347-T520 PolarHBondContact OD2-OG1 3.4Å; D347-K528 IonicContact OD1-NZ 2.82Å; D347-K528 PolarHBondContact OD1-NZ 3.07Å; D347-K528 IonicContact OD2-NZ 3.9Å; D347-K528 PolarHBondContact OD2-NZ 3.14Å
348	E	97.8	Very high	97.7	Very high	37 Å²	37	24.8 Å²	24.8	17%	0.173	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	-7.2	-175.4	-49.4	-47.2	137.7	0	0	116.8	I351 F353 H354 S355 W495 D573	E348-I351 WeakPolarHBondContact CA-O 3.5Å; E348-I351 PolarHBondContact N-O 2.86Å; E348-F353 PolarHBondContact OE1-N 3.45Å; E348-H354 PolarHBondContact OE1-N 3.06Å; E348-S355 PolarHBondContact OE1-N 3.48Å; E348-S355 PolarHBondContact OE1-OG 3.12Å; E348-S355 WeakPolarHBondContact OE2-CB 3.36Å; E348-S355 PolarHBondContact OE2-OG 3.14Å; E348-W495 VanDerWaalsContact O-CZ2 3.27Å; E348-W495 WeakPolarHBondContact O-CZ2 2.96Å; E348-D573 VanDerWaalsContact C-OD1 3.29Å
349	T	98.7	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-65.8	171.6	-68.6	0	0	0	0	112.2	W344 D347 W495 I571 G572 D573 I591	W344-T349 HydrophobicContact CE3-CG2 4.18Å; D347-T349 PolarHBondContact O-N 3.24Å; T349-W495 PolarHBondContact O-NE1 2.88Å; T349-I571 HydrophobicContact CG2-CG2 4.2Å; T349-G572 VanDerWaalsContact OG1-CA 3.27Å; T349-G572 WeakPolarHBondContact OG1-CA 3.43Å; T349-D573 PolarHBondContact N-OD1 3.42Å; T349-D573 PolarHBondContact OG1-N 2.68Å; T349-D573 PolarHBondContact OG1-OD1 3Å; T349-I591 HydrophobicContact CG2-CB 4.48Å; T349-I591 HydrophobicContact CG2-CG1 4.19Å
350	I	98.8	Very high	98.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-42.9	178.2	-64.7	170.8	0	0	0	110.8	W344 D345 L346 L496 A499 L503 L516 L534 F538	W344-I350 HydrophobicContact CB-CD1 3.73Å; W344-I350 HydrophobicContact CB-CG1 4.49Å; W344-I350 HydrophobicContact CD2-CD1 3.99Å; W344-I350 HydrophobicContact CD2-CG1 4.24Å; W344-I350 HydrophobicContact CE3-CD1 3.84Å; W344-I350 HydrophobicContact CE3-CG1 3.57Å; W344-I350 HydrophobicContact CG-CD1 4Å; W344-I350 HydrophobicContact CZ3-CG1 4.07Å; D345-I350 WeakPolarHBondContact O-CD1 3.3Å; D345-I350 WeakPolarHBondContact O-CG1 3.47Å; L346-I350 PolarHBondContact O-N 2.88Å; I350-L496 HydrophobicContact CG2-CD1 3.81Å; I350-A499 HydrophobicContact CG2-CB 4.28Å; I350-L503 HydrophobicContact CD1-CD1 4.07Å; I350-L503 HydrophobicContact CD1-CD2 4.23Å; I350-L503 HydrophobicContact CG1-CD1 4.27Å; I350-L503 HydrophobicContact CG2-CD1 3.84Å; I350-L516 HydrophobicContact CD1-CD1 3.86Å; I350-L534 HydrophobicContact CG2-CD1 3.7Å; I350-L534 HydrophobicContact CG2-CD2 3.63Å; I350-L534 HydrophobicContact CG2-CG 4.31Å; I350-F538 HydrophobicContact CD1-CE2 3.86Å; I350-F538 HydrophobicContact CD1-CZ 3.71Å
351	I	98.6	Very high	98.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-116.6	140.8	-178.1	69.9	172.8	0	0	0	110.3	L346 D347 E348 F353 L496 K528 Y532 L534	L346-I351 HydrophobicContact CD1-CD1 3.96Å; L346-I351 HydrophobicContact CD1-CG1 4.08Å; L346-I351 HydrophobicContact CD1-CG2 4.11Å; L346-I351 HydrophobicContact CD2-CD1 4.45Å; L346-I351 HydrophobicContact CG-CD1 3.89Å; L346-I351 HydrophobicContact CG-CG1 4.11Å; L346-I351 WeakPolarHBondContact O-CG1 3.4Å; L346-I351 PolarHBondContact O-N 3.37Å; D347-I351 CarbonylContact C-O 3.56Å; E348-I351 WeakPolarHBondContact CA-O 3.5Å; E348-I351 PolarHBondContact N-O 2.86Å; I351-F353 HydrophobicContact CD1-CB 4.1Å; I351-F353 HydrophobicContact CG1-CB 4.29Å; I351-L496 HydrophobicContact CG2-CD1 4.33Å; I351-K528 HydrophobicContact CD1-CB 4.37Å; I351-K528 HydrophobicContact CD1-CD 4.14Å; I351-K528 HydrophobicContact CD1-CG 4.4Å; I351-Y532 HydrophobicContact CB-CD1 3.75Å; I351-Y532 HydrophobicContact CB-CE1 3.66Å; I351-Y532 HydrophobicContact CB-CG 4.26Å; I351-Y532 HydrophobicContact CD1-CD2 4.04Å; I351-Y532 HydrophobicContact CD1-CE1 4.36Å; I351-Y532 HydrophobicContact CD1-CE2 3.82Å; I351-Y532 HydrophobicContact CD1-CG 4.39Å; I351-Y532 HydrophobicContact CG2-CD1 3.39Å; I351-Y532 HydrophobicContact CG2-CD2 4.31Å; I351-Y532 HydrophobicContact CG2-CE1 3.88Å; I351-Y532 HydrophobicContact CG2-CG 3.61Å; I351-L534 HydrophobicContact CG2-CD1 3.84Å
352	V	98.4	Very high	98.2	Very high	5 Å²	5	18.2 Å²	18.2	3%	0.03	10%	0.099	C	C	.	.			trans	-87.1	123.4	164.8	-168.4	0	0	0	0	107.1	S355 L356 Y361 T492 W495 Y532	V352-S355 WeakPolarHBondContact CG1-OG 3.18Å; V352-L356 HydrophobicContact CB-CD2 4.48Å; V352-L356 HydrophobicContact CG1-CD2 3.69Å; V352-L356 HydrophobicContact CG1-CG 3.91Å; V352-L356 WeakPolarHBondContact O-CD1 3.47Å; V352-Y361 HydrophobicContact CB-CD2 4.48Å; V352-Y361 HydrophobicContact CG1-CD2 3.37Å; V352-Y361 HydrophobicContact CG1-CE2 3.92Å; V352-Y361 HydrophobicContact CG1-CG 3.85Å; V352-Y361 HydrophobicContact CG2-CD2 4.28Å; V352-Y361 HydrophobicContact CG2-CE2 4Å; V352-T492 HydrophobicContact CB-CG2 3.74Å; V352-T492 HydrophobicContact CG1-CG2 4.01Å; V352-T492 HydrophobicContact CG2-CG2 3.82Å; V352-W495 HydrophobicContact CG2-CB 3.83Å; V352-W495 HydrophobicContact CG2-CD2 3.77Å; V352-W495 HydrophobicContact CG2-CE3 4.3Å; V352-W495 HydrophobicContact CG2-CG 3.52Å; V352-Y532 PolarHBondContact O-OH 3.42Å; V352-Y532 VanDerWaalsContact O-OH 3.08Å
353	F	98	Very high	98.1	Very high	14 Å²	14	23.9 Å²	23.9	6%	0.061	13%	0.129	C	C	.	.			trans	-151.2	-61.7	-176.9	-179.4	-112.7	0	0	0	113.7	D347 E348 I351 S355 L356 L357 M379 E380 I383 Y532	D347-F353 WeakPolarHBondContact OD1-CD1 3.41Å; E348-F353 PolarHBondContact OE1-N 3.45Å; I351-F353 HydrophobicContact CD1-CB 4.1Å; I351-F353 HydrophobicContact CG1-CB 4.29Å; F353-S355 VanDerWaalsContact C-N 3.29Å; F353-S355 PolarHBondContact O-N 3.21Å; F353-L356 VanDerWaalsContact O-CB 3.29Å; F353-L356 WeakPolarHBondContact O-CB 3.37Å; F353-L356 PolarHBondContact O-N 3.42Å; F353-L357 HydrophobicContact CD1-CD1 4.44Å; F353-L357 HydrophobicContact CE1-CD1 3.88Å; F353-L357 HydrophobicContact CE2-CD1 4.27Å; F353-L357 HydrophobicContact CZ-CD1 3.78Å; F353-L357 PolarHBondContact O-N 3.41Å; F353-M379 HydrophobicContact CD2-CB 4.42Å; F353-M379 HydrophobicContact CD2-CG 4.05Å; F353-M379 HydrophobicContact CE2-CB 4.09Å; F353-M379 HydrophobicContact CE2-CG 3.92Å; F353-E380 HydrophobicContact CE2-CB 4.21Å; F353-E380 HydrophobicContact CZ-CB 3.91Å; F353-E380 HydrophobicContact CZ-CG 4.29Å; F353-I383 HydrophobicContact CD2-CD1 4.17Å; F353-I383 HydrophobicContact CE1-CD1 4.2Å; F353-I383 HydrophobicContact CE2-CD1 3.54Å; F353-I383 HydrophobicContact CZ-CD1 3.56Å; F353-Y532 WeakPolarHBondContact CD2-OH 3.46Å
354	H	96.7	Very high	98	Very high	113 Å²	113	31.3 Å²	31.3	52%	0.523	16%	0.157	S	C	.	.	H	α-helix	trans	-67.4	-33.3	179.6	-175.2	72.5	0	0	0	111.8	E348 L356 L357 T358	E348-H354 PolarHBondContact OE1-N 3.06Å; H354-L356 VanDerWaalsContact C-N 3.25Å; H354-L356 PolarHBondContact O-N 2.61Å; H354-L357 PolarHBondContact O-N 2.98Å; H354-T358 PolarHBondContact O-N 3.15Å; H354-T358 VanDerWaalsContact O-N 3.09Å; H354-T358 PolarHBondContact O-OG1 3.49Å
355	S	97.8	Very high	98	Very high	11 Å²	11	33.8 Å²	33.8	8%	0.077	17%	0.167	C	C	.	.	H	α-helix	trans	-72.4	-17.2	173	69.8	0	0	0	0	113.6	E348 V352 F353 T358 G359 S360 Y361	E348-S355 PolarHBondContact OE1-N 3.48Å; E348-S355 PolarHBondContact OE1-OG 3.12Å; E348-S355 WeakPolarHBondContact OE2-CB 3.36Å; E348-S355 PolarHBondContact OE2-OG 3.14Å; V352-S355 WeakPolarHBondContact CG1-OG 3.18Å; F353-S355 VanDerWaalsContact C-N 3.29Å; F353-S355 PolarHBondContact O-N 3.21Å; S355-T358 WeakPolarHBondContact CA-OG1 3.5Å; S355-G359 CarbonylContact O-C 3.58Å; S355-G359 PolarHBondContact O-N 2.67Å; S355-S360 VanDerWaalsContact CA-OG 3.31Å; S355-S360 WeakPolarHBondContact CA-OG 3.27Å; S355-S360 WeakPolarHBondContact CB-OG 3.36Å; S355-S360 PolarHBondContact O-N 3.08Å; S355-S360 PolarHBondContact O-OG 3.35Å; S355-Y361 PolarHBondContact O-N 2.69Å; S355-Y361 WeakPolarHBondContact OG-CB 3.46Å
356	L	98.4	Very high	97.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-73.2	-52	168.5	-56.6	-177.9	0	0	0	110.5	V352 F353 H354 T358 G359 Y361 S372 V373 I488 L491 T492	V352-L356 HydrophobicContact CB-CD2 4.48Å; V352-L356 HydrophobicContact CG1-CD2 3.69Å; V352-L356 HydrophobicContact CG1-CG 3.91Å; V352-L356 WeakPolarHBondContact O-CD1 3.47Å; F353-L356 VanDerWaalsContact O-CB 3.29Å; F353-L356 WeakPolarHBondContact O-CB 3.37Å; F353-L356 PolarHBondContact O-N 3.42Å; H354-L356 VanDerWaalsContact C-N 3.25Å; H354-L356 PolarHBondContact O-N 2.61Å; L356-T358 VanDerWaalsContact C-N 3.29Å; L356-T358 PolarHBondContact O-N 3.28Å; L356-G359 PolarHBondContact O-N 3.02Å; L356-Y361 HydrophobicContact CD2-CG 4.45Å; L356-S372 WeakPolarHBondContact CA-OG 3.43Å; L356-S372 CarbonylContact O-C 3.49Å; L356-S372 PolarHBondContact O-OG 3.38Å; L356-V373 WeakPolarHBondContact O-CA 3.41Å; L356-V373 WeakPolarHBondContact O-CG2 3.17Å; L356-V373 PolarHBondContact O-N 2.98Å; L356-I488 HydrophobicContact CD1-CD1 4.39Å; L356-I488 HydrophobicContact CD1-CG1 4.25Å; L356-I488 HydrophobicContact CD1-CG2 4.18Å; L356-L491 HydrophobicContact CD2-CD2 3.85Å; L356-T492 HydrophobicContact CD2-CG2 4.16Å
357	L	98.2	Very high	97.8	Very high	34 Å²	34	40.9 Å²	40.9	18%	0.178	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-37.6	-179.8	-70.9	168.1	0	0	0	112.9	F353 H354 L377 E380	F353-L357 HydrophobicContact CD1-CD1 4.44Å; F353-L357 HydrophobicContact CE1-CD1 3.88Å; F353-L357 HydrophobicContact CE2-CD1 4.27Å; F353-L357 HydrophobicContact CZ-CD1 3.78Å; F353-L357 PolarHBondContact O-N 3.41Å; H354-L357 PolarHBondContact O-N 2.98Å; L357-L377 HydrophobicContact CD2-CD2 3.85Å; L357-L377 HydrophobicContact CD2-CG 4.08Å; L357-E380 WeakPolarHBondContact CD1-OE1 3.08Å; L357-E380 HydrophobicContact CD2-CB 4.32Å
358	T	97.9	Very high	97.8	Very high	71 Å²	71	43.9 Å²	43.9	44%	0.436	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.8	176.2	54.5	0	0	0	0	113.9	H354 S355 L356 S360	H354-T358 PolarHBondContact O-N 3.15Å; H354-T358 VanDerWaalsContact O-N 3.09Å; H354-T358 PolarHBondContact O-OG1 3.49Å; S355-T358 WeakPolarHBondContact CA-OG1 3.5Å; L356-T358 VanDerWaalsContact C-N 3.29Å; L356-T358 PolarHBondContact O-N 3.28Å; T358-S360 PolarHBondContact O-N 3.49Å; T358-S360 VanDerWaalsContact O-N 3.08Å; T358-S360 PolarHBondContact OG1-OG 2.63Å
359	G	97.5	Very high	97.8	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.01	24%	0.236	C	C	.	.	S	Bend	trans	64.2	4.5	-171.9	0	0	0	0	0	114.6	S355 L356 Y361 A362 N363	S355-G359 CarbonylContact O-C 3.58Å; S355-G359 PolarHBondContact O-N 2.67Å; L356-G359 PolarHBondContact O-N 3.02Å; G359-Y361 VanDerWaalsContact C-N 3.34Å; G359-Y361 PolarHBondContact O-N 3.16Å; G359-A362 WeakPolarHBondContact O-CB 3.22Å; G359-A362 PolarHBondContact O-N 3.22Å; G359-N363 PolarHBondContact O-N 2.85Å; G359-N363 VanDerWaalsContact O-N 3.1Å; G359-N363 PolarHBondContact O-ND2 3.49Å
360	S	97.8	Very high	97.8	Very high	55 Å²	55	48.4 Å²	48.4	39%	0.385	26%	0.264	S	S	.	.	H	α-helix	trans	-68.2	-31.3	-175.8	58	0	0	0	0	112.7	S355 T358 R364	S355-S360 VanDerWaalsContact CA-OG 3.31Å; S355-S360 WeakPolarHBondContact CA-OG 3.27Å; S355-S360 WeakPolarHBondContact CB-OG 3.36Å; S355-S360 PolarHBondContact O-N 3.08Å; S355-S360 PolarHBondContact O-OG 3.35Å; T358-S360 PolarHBondContact O-N 3.49Å; T358-S360 VanDerWaalsContact O-N 3.08Å; T358-S360 PolarHBondContact OG1-OG 2.63Å; S360-R364 WeakPolarHBondContact O-CB 3.19Å; S360-R364 PolarHBondContact O-N 2.87Å
361	Y	97.9	Very high	97.7	Very high	7 Å²	7	51.6 Å²	51.6	3%	0.027	28%	0.284	C	S	.	.	H	α-helix	trans	-58.9	-48.9	169.5	-171.8	-87.5	0	0	0	111.1	V352 S355 L356 G359 N363 R364 Y365 L491 T492 W495 H594	V352-Y361 HydrophobicContact CB-CD2 4.48Å; V352-Y361 HydrophobicContact CG1-CD2 3.37Å; V352-Y361 HydrophobicContact CG1-CE2 3.92Å; V352-Y361 HydrophobicContact CG1-CG 3.85Å; V352-Y361 HydrophobicContact CG2-CD2 4.28Å; V352-Y361 HydrophobicContact CG2-CE2 4Å; S355-Y361 PolarHBondContact O-N 2.69Å; S355-Y361 WeakPolarHBondContact OG-CB 3.46Å; L356-Y361 HydrophobicContact CD2-CG 4.45Å; G359-Y361 VanDerWaalsContact C-N 3.34Å; G359-Y361 PolarHBondContact O-N 3.16Å; Y361-N363 PolarHBondContact O-N 3.17Å; Y361-R364 PolarHBondContact O-N 3.19Å; Y361-R364 VanDerWaalsContact O-N 3.11Å; Y361-Y365 AromaticContact CD1-CD2 3.99Å; Y361-Y365 HydrophobicContact CD1-CD2 3.99Å; Y361-Y365 AromaticContact CD2-CD2 3.62Å; Y361-Y365 HydrophobicContact CD2-CD2 3.62Å; Y361-Y365 AromaticContact CD2-CE2 3.76Å; Y361-Y365 HydrophobicContact CD2-CE2 3.76Å; Y361-Y365 AromaticContact CE1-CD2 3.74Å; Y361-Y365 HydrophobicContact CE1-CD2 3.74Å; Y361-Y365 HydrophobicContact CE1-CG 4.02Å; Y361-Y365 AromaticContact CE2-CD2 3.37Å; Y361-Y365 HydrophobicContact CE2-CD2 3.37Å; Y361-Y365 AromaticContact CE2-CE2 3.43Å; Y361-Y365 HydrophobicContact CE2-CE2 3.43Å; Y361-Y365 VanDerWaalsContact CE2-CE2 3.43Å; Y361-Y365 HydrophobicContact CE2-CG 4.24Å; Y361-Y365 AromaticContact CG-CD2 3.91Å; Y361-Y365 HydrophobicContact CG-CD2 3.91Å; Y361-Y365 HydrophobicContact CG-CE2 4.48Å; Y361-Y365 AromaticContact CZ-CD2 3.4Å; Y361-Y365 VanDerWaalsContact CZ-CD2 3.4Å; Y361-Y365 AromaticContact CZ-CE2 3.87Å; Y361-Y365 AromaticContact CZ-CG 3.82Å; Y361-Y365 WeakPolarHBondContact O-CD2 3.49Å; Y361-Y365 PolarHBondContact O-N 3.46Å; Y361-L491 HydrophobicContact CD1-CD2 3.87Å; Y361-L491 HydrophobicContact CE1-CD2 4.14Å; Y361-L491 WeakPolarHBondContact CE1-O 3.49Å; Y361-T492 HydrophobicContact CE1-CG2 4.31Å; Y361-T492 WeakPolarHBondContact OH-CA 3.42Å; Y361-T492 PolarHBondContact OH-O 2.92Å; Y361-W495 HydrophobicContact CE2-CE3 4.42Å; Y361-H594 PolarHBondContact OH-CE1 3.28Å; Y361-H594 VanDerWaalsContact OH-CE1 3.22Å; Y361-H594 PolarHBondContact OH-NE2 3.46Å
362	A	97.8	Very high	97.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-44.2	-177.1	0	0	0	0	0	112.2	G359 R364 Y365 G366 R367 P369	G359-A362 WeakPolarHBondContact O-CB 3.22Å; G359-A362 PolarHBondContact O-N 3.22Å; A362-R364 VanDerWaalsContact C-N 3.26Å; A362-R364 PolarHBondContact O-N 3.23Å; A362-Y365 PolarHBondContact O-N 2.84Å; A362-G366 PolarHBondContact O-N 3.31Å; A362-R367 HydrophobicContact CB-CB 3.94Å; A362-R367 PolarHBondContact O-N 3.19Å; A362-P369 HydrophobicContact CB-CB 4.12Å; A362-P369 HydrophobicContact CB-CG 4.04Å
363	N	97.5	Very high	97.8	Very high	119 Å²	119	53.5 Å²	53.5	64%	0.636	30%	0.295	S	S	*	.	H	α-helix	trans	-60	-35.3	173.8	-68	-33.8	0	0	0	112.5	G359 Y361 P369	G359-N363 PolarHBondContact O-N 2.85Å; G359-N363 VanDerWaalsContact O-N 3.1Å; G359-N363 PolarHBondContact O-ND2 3.49Å; Y361-N363 PolarHBondContact O-N 3.17Å; N363-P369 WeakPolarHBondContact OD1-CG 3.29Å
364	R	97.2	Very high	97.8	Very high	156 Å²	156	55.5 Å²	55.5	59%	0.589	31%	0.311	S	S	*	.	H	α-helix	trans	-78.7	-36.5	-179.5	-174	175.3	-177.8	-147.4	-5.4	113.8	S360 Y361 A362 S592	S360-R364 WeakPolarHBondContact O-CB 3.19Å; S360-R364 PolarHBondContact O-N 2.87Å; Y361-R364 PolarHBondContact O-N 3.19Å; Y361-R364 VanDerWaalsContact O-N 3.11Å; A362-R364 VanDerWaalsContact C-N 3.26Å; A362-R364 PolarHBondContact O-N 3.23Å; R364-S592 PolarHBondContact NH1-O 3.26Å; R364-S592 PolarHBondContact NH2-O 3.08Å
365	Y	97.3	Very high	97.9	Very high	54 Å²	54	50.3 Å²	50.3	21%	0.212	29%	0.287	C	S	.	.	H	α-helix	trans	-109.9	14.8	-173	-68.1	-79.1	0	0	0	114.3	Y361 A362 R367 H594	Y361-Y365 AromaticContact CD1-CD2 3.99Å; Y361-Y365 HydrophobicContact CD1-CD2 3.99Å; Y361-Y365 AromaticContact CD2-CD2 3.62Å; Y361-Y365 HydrophobicContact CD2-CD2 3.62Å; Y361-Y365 AromaticContact CD2-CE2 3.76Å; Y361-Y365 HydrophobicContact CD2-CE2 3.76Å; Y361-Y365 AromaticContact CE1-CD2 3.74Å; Y361-Y365 HydrophobicContact CE1-CD2 3.74Å; Y361-Y365 HydrophobicContact CE1-CG 4.02Å; Y361-Y365 AromaticContact CE2-CD2 3.37Å; Y361-Y365 HydrophobicContact CE2-CD2 3.37Å; Y361-Y365 AromaticContact CE2-CE2 3.43Å; Y361-Y365 HydrophobicContact CE2-CE2 3.43Å; Y361-Y365 VanDerWaalsContact CE2-CE2 3.43Å; Y361-Y365 HydrophobicContact CE2-CG 4.24Å; Y361-Y365 AromaticContact CG-CD2 3.91Å; Y361-Y365 HydrophobicContact CG-CD2 3.91Å; Y361-Y365 HydrophobicContact CG-CE2 4.48Å; Y361-Y365 AromaticContact CZ-CD2 3.4Å; Y361-Y365 VanDerWaalsContact CZ-CD2 3.4Å; Y361-Y365 AromaticContact CZ-CE2 3.87Å; Y361-Y365 AromaticContact CZ-CG 3.82Å; Y361-Y365 WeakPolarHBondContact O-CD2 3.49Å; Y361-Y365 PolarHBondContact O-N 3.46Å; A362-Y365 PolarHBondContact O-N 2.84Å; Y365-R367 PolarHBondContact O-N 2.87Å; Y365-R367 PolarHBondContact O-NE 2.84Å; Y365-H594 AromaticContact CE1-CE1 3.74Å; Y365-H594 AromaticContact CE1-ND1 3.79Å
366	G	96.8	Very high	97.9	Very high	72 Å²	72	49.8 Å²	49.8	74%	0.742	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	34.9	175.3	0	0	0	0	0	114.1	A362	A362-G366 PolarHBondContact O-N 3.31Å
367	R	97.6	Very high	98	Very high	91 Å²	91	54.1 Å²	54.1	34%	0.343	31%	0.306	S	S	.	.			trans	-102.2	168	176.8	-49.1	-63.8	160.8	141.4	-7.2	110.7	A362 Y365 P369 L491 D493	A362-R367 HydrophobicContact CB-CB 3.94Å; A362-R367 PolarHBondContact O-N 3.19Å; Y365-R367 PolarHBondContact O-N 2.87Å; Y365-R367 PolarHBondContact O-NE 2.84Å; R367-P369 VanDerWaalsContact O-CD 3.26Å; R367-P369 WeakPolarHBondContact O-CD 3.41Å; R367-L491 HydrophobicContact CB-CD1 4.27Å; R367-L491 HydrophobicContact CB-CG 4.28Å; R367-L491 HydrophobicContact CG-CG 4.27Å; R367-D493 IonicContact CZ-OD1 3.94Å; R367-D493 VanDerWaalsContact CZ-OD1 3.3Å; R367-D493 IonicContact CZ-OD2 3.56Å; R367-D493 IonicContact NE-OD2 2.77Å; R367-D493 IonicContact NH1-OD1 3.98Å; R367-D493 PolarHBondContact NH1-OD1 3.22Å; R367-D493 IonicContact NH1-OD2 3.1Å; R367-D493 IonicContact NH2-OD1 2.77Å; R367-D493 PolarHBondContact NH2-OD1 2.53Å; R367-D493 IonicContact NH2-OD2 3.43Å; R367-D493 PolarHBondContact NH2-OD2 3.26Å
368	D	97.3	Very high	98	Very high	82 Å²	82	56.5 Å²	56.5	44%	0.439	31%	0.312	S	S	.	.			trans	-73.1	117.2	175.4	-180	69.1	0	0	0	111.2	P370 T371 S372	D368-P370 WeakPolarHBondContact OD2-CD 3.41Å; D368-T371 PolarHBondContact O-N 3.45Å; D368-T371 WeakPolarHBondContact OD2-CB 3.31Å; D368-T371 PolarHBondContact OD2-N 3.05Å; D368-T371 PolarHBondContact OD2-OG1 2.83Å; D368-S372 PolarHBondContact O-N 2.91Å; D368-S372 VanDerWaalsContact O-N 3.08Å
369	P	97.8	Very high	98	Very high	42 Å²	42	53.1 Å²	53.1	27%	0.273	29%	0.292	S	S	.	.	H	α-helix	trans	-66	-42.7	-177.4	-20.2	33.2	0	0	0	114.3	A362 N363 R367 T371 S372 V373	A362-P369 HydrophobicContact CB-CB 4.12Å; A362-P369 HydrophobicContact CB-CG 4.04Å; N363-P369 WeakPolarHBondContact OD1-CG 3.29Å; R367-P369 VanDerWaalsContact O-CD 3.26Å; R367-P369 WeakPolarHBondContact O-CD 3.41Å; P369-T371 VanDerWaalsContact C-N 3.32Å; P369-T371 PolarHBondContact O-N 2.87Å; P369-S372 WeakPolarHBondContact O-CB 3.49Å; P369-S372 PolarHBondContact O-N 3.44Å; P369-S372 VanDerWaalsContact O-N 3.16Å; P369-V373 WeakPolarHBondContact O-CG2 3.39Å; P369-V373 PolarHBondContact O-N 3.37Å
370	P	98.3	Very high	98.1	Very high	90 Å²	90	56 Å²	56	58%	0.584	31%	0.305	S	S	*	.	H	α-helix	trans	-54.3	-43.3	173.4	-28.2	35.7	0	0	0	113.9	D368 V373 S374	D368-P370 WeakPolarHBondContact OD2-CD 3.41Å; P370-V373 PolarHBondContact O-N 3.21Å; P370-S374 WeakPolarHBondContact O-CB 3.3Å; P370-S374 PolarHBondContact O-N 3.44Å
371	T	98.2	Very high	98.1	Very high	67 Å²	67	60 Å²	60	41%	0.411	32%	0.318	S	S	.	.	H	α-helix	trans	-64.4	-43.7	176	-58.4	0	0	0	0	111.4	D368 P369 S374 L375 L491	D368-T371 PolarHBondContact O-N 3.45Å; D368-T371 WeakPolarHBondContact OD2-CB 3.31Å; D368-T371 PolarHBondContact OD2-N 3.05Å; D368-T371 PolarHBondContact OD2-OG1 2.83Å; P369-T371 VanDerWaalsContact C-N 3.32Å; P369-T371 PolarHBondContact O-N 2.87Å; T371-S374 PolarHBondContact O-N 2.91Å; T371-L375 HydrophobicContact CG2-CD1 4.28Å; T371-L375 WeakPolarHBondContact O-CG 3.5Å; T371-L375 PolarHBondContact O-N 2.95Å; T371-L491 HydrophobicContact CG2-CD1 4.18Å
372	S	98.5	Very high	98.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58.9	-47.9	175.7	179	0	0	0	0	112.4	L356 D368 P369 L375 G376	L356-S372 WeakPolarHBondContact CA-OG 3.43Å; L356-S372 CarbonylContact O-C 3.49Å; L356-S372 PolarHBondContact O-OG 3.38Å; D368-S372 PolarHBondContact O-N 2.91Å; D368-S372 VanDerWaalsContact O-N 3.08Å; P369-S372 WeakPolarHBondContact O-CB 3.49Å; P369-S372 PolarHBondContact O-N 3.44Å; P369-S372 VanDerWaalsContact O-N 3.16Å; S372-L375 PolarHBondContact O-N 3.15Å; S372-G376 PolarHBondContact O-N 2.9Å
373	V	98.8	Very high	98.2	Very high	44 Å²	44	60.9 Å²	60.9	27%	0.267	32%	0.322	S	S	.	.	H	α-helix	trans	-65.6	-40.4	178.4	176.7	0	0	0	0	110.8	L356 P369 P370 L375 G376 L377	L356-V373 WeakPolarHBondContact O-CA 3.41Å; L356-V373 WeakPolarHBondContact O-CG2 3.17Å; L356-V373 PolarHBondContact O-N 2.98Å; P369-V373 WeakPolarHBondContact O-CG2 3.39Å; P369-V373 PolarHBondContact O-N 3.37Å; P370-V373 PolarHBondContact O-N 3.21Å; V373-L375 VanDerWaalsContact C-N 3.3Å; V373-L375 PolarHBondContact O-N 3.12Å; V373-G376 PolarHBondContact O-N 2.81Å; V373-L377 HydrophobicContact CG1-CD1 3.85Å; V373-L377 HydrophobicContact CG1-CG 4.25Å; V373-L377 WeakPolarHBondContact O-CB 3.47Å; V373-L377 WeakPolarHBondContact O-CG 3.5Å; V373-L377 PolarHBondContact O-N 3.13Å
374	S	98.7	Very high	98.2	Very high	56 Å²	56	59.2 Å²	59.2	39%	0.392	31%	0.309	S	S	.	.	H	α-helix	trans	-61.4	-34.6	174.8	179.7	0	0	0	0	113.4	P370 T371 R378	P370-S374 WeakPolarHBondContact O-CB 3.3Å; P370-S374 PolarHBondContact O-N 3.44Å; T371-S374 PolarHBondContact O-N 2.91Å; S374-R378 WeakPolarHBondContact O-CB 3.36Å; S374-R378 WeakPolarHBondContact O-CG 3.47Å; S374-R378 PolarHBondContact O-N 2.99Å; S374-R378 PolarHBondContact O-NE 2.88Å
375	L	98.8	Very high	98.3	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-73.3	-41.9	173.7	-71.7	168.8	0	0	0	112.1	T371 S372 V373 R378 M379 L484 E487 I488 L491	T371-L375 HydrophobicContact CG2-CD1 4.28Å; T371-L375 WeakPolarHBondContact O-CG 3.5Å; T371-L375 PolarHBondContact O-N 2.95Å; S372-L375 PolarHBondContact O-N 3.15Å; V373-L375 VanDerWaalsContact C-N 3.3Å; V373-L375 PolarHBondContact O-N 3.12Å; L375-R378 PolarHBondContact O-N 3.46Å; L375-M379 PolarHBondContact O-N 3.2Å; L375-L484 HydrophobicContact CD2-CD1 3.69Å; L375-E487 HydrophobicContact CD1-CB 4.4Å; L375-E487 HydrophobicContact CD2-CB 3.47Å; L375-E487 VanDerWaalsContact CD2-CB 3.47Å; L375-E487 HydrophobicContact CD2-CG 4.46Å; L375-E487 WeakPolarHBondContact CD2-OE2 3.3Å; L375-I488 HydrophobicContact CB-CG1 3.94Å; L375-I488 HydrophobicContact CD1-CG1 4.42Å; L375-I488 HydrophobicContact CD2-CG1 4.16Å; L375-I488 HydrophobicContact CG-CG1 4.41Å; L375-L491 HydrophobicContact CD1-CB 4.06Å; L375-L491 HydrophobicContact CD1-CD1 3.97Å; L375-L491 HydrophobicContact CD1-CG 4.49Å
376	G	98.7	Very high	98.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-56.5	-53.1	174.3	0	0	0	0	0	111.8	S372 V373 R378 M379 E380	S372-G376 PolarHBondContact O-N 2.9Å; V373-G376 PolarHBondContact O-N 2.81Å; G376-R378 PolarHBondContact O-N 2.82Å; G376-M379 PolarHBondContact O-N 3.27Å; G376-M379 VanDerWaalsContact O-N 3.11Å; G376-E380 WeakPolarHBondContact O-CB 3.42Å; G376-E380 PolarHBondContact O-N 3.33Å
377	L	98.8	Very high	98.4	Very high	91 Å²	91	48.7 Å²	48.7	48%	0.476	25%	0.251	S	S	.	.	H	α-helix	trans	-62.3	-41.4	-179.2	-69.8	170.2	0	0	0	112.6	L357 V373 M379 E380 E381	L357-L377 HydrophobicContact CD2-CD2 3.85Å; L357-L377 HydrophobicContact CD2-CG 4.08Å; V373-L377 HydrophobicContact CG1-CD1 3.85Å; V373-L377 HydrophobicContact CG1-CG 4.25Å; V373-L377 WeakPolarHBondContact O-CB 3.47Å; V373-L377 WeakPolarHBondContact O-CG 3.5Å; V373-L377 PolarHBondContact O-N 3.13Å; L377-M379 VanDerWaalsContact C-N 3.3Å; L377-M379 PolarHBondContact O-N 3.35Å; L377-E380 PolarHBondContact O-N 3.37Å; L377-E381 PolarHBondContact O-N 2.8Å
378	R	98.7	Very high	98.4	Very high	84 Å²	84	47.3 Å²	47.3	32%	0.317	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-36	174.2	-79.1	-173	-75.3	151.3	-7.9	112.2	S374 L375 G376 M382 L484 E487	S374-R378 WeakPolarHBondContact O-CB 3.36Å; S374-R378 WeakPolarHBondContact O-CG 3.47Å; S374-R378 PolarHBondContact O-N 2.99Å; S374-R378 PolarHBondContact O-NE 2.88Å; L375-R378 PolarHBondContact O-N 3.46Å; G376-R378 PolarHBondContact O-N 2.82Å; R378-M382 WeakPolarHBondContact O-CG 3.49Å; R378-M382 PolarHBondContact O-N 2.69Å; R378-L484 HydrophobicContact CB-CD1 3.68Å; R378-L484 HydrophobicContact CB-CD2 3.95Å; R378-L484 HydrophobicContact CB-CG 4.47Å; R378-E487 IonicContact CZ-OE2 2.68Å; R378-E487 VanDerWaalsContact CZ-OE2 3.25Å; R378-E487 IonicContact NH1-OE1 2.73Å; R378-E487 IonicContact NH1-OE2 3.21Å; R378-E487 PolarHBondContact NH1-OE2 3.31Å; R378-E487 IonicContact NH2-OE2 2.68Å; R378-E487 PolarHBondContact NH2-OE2 3.18Å
379	M	98.8	Very high	98.4	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-74.2	-37.7	176.6	-177.2	57.4	71.2	0	0	111.8	F353 L375 G376 L377 M382 I383 L484 R485 I488 L531 Y532	F353-M379 HydrophobicContact CD2-CB 4.42Å; F353-M379 HydrophobicContact CD2-CG 4.05Å; F353-M379 HydrophobicContact CE2-CB 4.09Å; F353-M379 HydrophobicContact CE2-CG 3.92Å; L375-M379 PolarHBondContact O-N 3.2Å; G376-M379 PolarHBondContact O-N 3.27Å; G376-M379 VanDerWaalsContact O-N 3.11Å; L377-M379 VanDerWaalsContact C-N 3.3Å; L377-M379 PolarHBondContact O-N 3.35Å; M379-M382 PolarHBondContact O-N 2.87Å; M379-I383 HydrophobicContact CG-CD1 3.84Å; M379-I383 HydrophobicContact CG-CG1 4.4Å; M379-I383 WeakPolarHBondContact O-CD1 3.36Å; M379-I383 VanDerWaalsContact O-CG1 3.24Å; M379-I383 WeakPolarHBondContact O-CG1 3.35Å; M379-I383 PolarHBondContact O-N 3.49Å; M379-I383 HydrophobicContact SD-CD1 4.39Å; M379-I383 HydrophobicContact SD-CG1 4.36Å; M379-L484 HydrophobicContact CB-CD2 4.16Å; M379-L484 HydrophobicContact CE-CD2 3.89Å; M379-L484 HydrophobicContact CE-CG 4.05Å; M379-L484 HydrophobicContact SD-CD2 4.46Å; M379-R485 HydrophobicContact CE-CG 4.08Å; M379-I488 HydrophobicContact CB-CD1 3.97Å; M379-I488 HydrophobicContact CE-CD1 3.6Å; M379-I488 HydrophobicContact CG-CD1 4.3Å; M379-L531 HydrophobicContact SD-CB 4.27Å; M379-L531 HydrophobicContact SD-CD1 4.46Å; M379-Y532 HydrophobicContact CE-CE2 4.25Å; M379-Y532 HydrophobicContact CG-CE2 3.76Å; M379-Y532 HydrophobicContact SD-CD2 4.44Å; M379-Y532 HydrophobicContact SD-CE2 3.82Å
380	E	98.6	Very high	98.4	Very high	62 Å²	62	47.1 Å²	47.1	29%	0.29	25%	0.249	S	C	.	.	H	α-helix	trans	-60	-47.3	173.9	-174.2	168.3	-117.3	0	0	111.6	F353 L357 G376 L377 M382 I383 F384	F353-E380 HydrophobicContact CE2-CB 4.21Å; F353-E380 HydrophobicContact CZ-CB 3.91Å; F353-E380 HydrophobicContact CZ-CG 4.29Å; L357-E380 WeakPolarHBondContact CD1-OE1 3.08Å; L357-E380 HydrophobicContact CD2-CB 4.32Å; G376-E380 WeakPolarHBondContact O-CB 3.42Å; G376-E380 PolarHBondContact O-N 3.33Å; L377-E380 PolarHBondContact O-N 3.37Å; E380-M382 VanDerWaalsContact C-N 3.31Å; E380-M382 PolarHBondContact O-N 3.25Å; E380-I383 PolarHBondContact O-N 3.1Å; E380-I383 VanDerWaalsContact O-N 3.17Å; E380-F384 HydrophobicContact CG-CD2 3.77Å; E380-F384 HydrophobicContact CG-CE2 3.67Å; E380-F384 WeakPolarHBondContact O-CD2 3.17Å; E380-F384 PolarHBondContact O-N 2.77Å
381	E	98.4	Very high	98.4	Very high	140 Å²	140	42.9 Å²	42.9	65%	0.654	22%	0.221	S	C	*	.	H	α-helix	trans	-55.3	-45.5	172.2	-175.2	-176.2	-172.5	0	0	111.3	L377 N385	L377-E381 PolarHBondContact O-N 2.8Å; E381-N385 WeakPolarHBondContact O-CB 3.44Å; E381-N385 PolarHBondContact O-N 3.18Å
382	M	98.4	Very high	98.4	Very high	23 Å²	23	41.4 Å²	41.4	11%	0.113	21%	0.21	C	C	.	.	H	α-helix	trans	-65.2	-38.7	177.1	-69.9	-141.7	69	0	0	113.5	R378 M379 E380 L386 L473 K477 W481 L484 L531	R378-M382 WeakPolarHBondContact O-CG 3.49Å; R378-M382 PolarHBondContact O-N 2.69Å; M379-M382 PolarHBondContact O-N 2.87Å; E380-M382 VanDerWaalsContact C-N 3.31Å; E380-M382 PolarHBondContact O-N 3.25Å; M382-L386 WeakPolarHBondContact O-CB 3.35Å; M382-L386 PolarHBondContact O-N 3.27Å; M382-L473 HydrophobicContact CE-CD1 3.99Å; M382-L473 HydrophobicContact CE-CD2 3.81Å; M382-K477 HydrophobicContact CE-CB 4.41Å; M382-W481 HydrophobicContact CE-CB 3.81Å; M382-W481 HydrophobicContact CE-CG 4.46Å; M382-W481 HydrophobicContact SD-CB 3.76Å; M382-W481 HydrophobicContact SD-CG 4.42Å; M382-L484 HydrophobicContact CG-CD2 4.1Å; M382-L484 HydrophobicContact SD-CD2 4.05Å; M382-L531 HydrophobicContact CB-CD1 4.1Å; M382-L531 HydrophobicContact CE-CD2 4.41Å
383	I	98.8	Very high	98.3	Very high	2 Å²	2	42 Å²	42	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-55.9	178.6	-72.7	158.5	0	0	0	110.2	F353 M379 E380 L386 A387 P524 A527 K528 L531	F353-I383 HydrophobicContact CD2-CD1 4.17Å; F353-I383 HydrophobicContact CE1-CD1 4.2Å; F353-I383 HydrophobicContact CE2-CD1 3.54Å; F353-I383 HydrophobicContact CZ-CD1 3.56Å; M379-I383 HydrophobicContact CG-CD1 3.84Å; M379-I383 HydrophobicContact CG-CG1 4.4Å; M379-I383 WeakPolarHBondContact O-CD1 3.36Å; M379-I383 VanDerWaalsContact O-CG1 3.24Å; M379-I383 WeakPolarHBondContact O-CG1 3.35Å; M379-I383 PolarHBondContact O-N 3.49Å; M379-I383 HydrophobicContact SD-CD1 4.39Å; M379-I383 HydrophobicContact SD-CG1 4.36Å; E380-I383 PolarHBondContact O-N 3.1Å; E380-I383 VanDerWaalsContact O-N 3.17Å; I383-L386 PolarHBondContact O-N 3.39Å; I383-A387 WeakPolarHBondContact O-CB 3.38Å; I383-A387 PolarHBondContact O-N 2.62Å; I383-P524 HydrophobicContact CG2-CB 4.36Å; I383-A527 HydrophobicContact CG2-CB 4.1Å; I383-K528 HydrophobicContact CD1-CG 3.65Å; I383-K528 HydrophobicContact CG1-CG 4.04Å; I383-K528 HydrophobicContact CG2-CG 4.17Å; I383-L531 HydrophobicContact CB-CD1 4.26Å; I383-L531 HydrophobicContact CG1-CD1 3.69Å
384	F	98.3	Very high	98.2	Very high	83 Å²	83	45.4 Å²	45.4	36%	0.364	23%	0.229	S	C	.	.	H	α-helix	trans	-65.6	-42.2	-179.7	-74.2	-67.7	0	0	0	111.4	E380 L386 A387 D388 F393 P524	E380-F384 HydrophobicContact CG-CD2 3.77Å; E380-F384 HydrophobicContact CG-CE2 3.67Å; E380-F384 WeakPolarHBondContact O-CD2 3.17Å; E380-F384 PolarHBondContact O-N 2.77Å; F384-L386 VanDerWaalsContact C-N 3.32Å; F384-L386 PolarHBondContact O-N 2.95Å; F384-A387 WeakPolarHBondContact O-CB 3.24Å; F384-A387 PolarHBondContact O-N 3.45Å; F384-A387 VanDerWaalsContact O-N 3.09Å; F384-D388 WeakPolarHBondContact O-CB 3.23Å; F384-D388 PolarHBondContact O-N 2.77Å; F384-F393 HydrophobicContact CD1-CD1 4.14Å; F384-F393 AromaticContact CD1-CE1 3.75Å; F384-F393 HydrophobicContact CD1-CE1 3.75Å; F384-F393 AromaticContact CE1-CE1 3.77Å; F384-F393 HydrophobicContact CE1-CE1 3.77Å; F384-F393 HydrophobicContact CE1-CZ 4.18Å; F384-P524 HydrophobicContact CE1-CG 4.32Å
385	N	98.1	Very high	98	Very high	61 Å²	61	44.3 Å²	44.3	33%	0.326	22%	0.219	S	C	.	.	H	α-helix	trans	-63.3	-35.2	179.1	-171	-102.6	0	0	0	113.3	E381 T389 K477	E381-N385 WeakPolarHBondContact O-CB 3.44Å; E381-N385 PolarHBondContact O-N 3.18Å; N385-T389 WeakPolarHBondContact O-CB 3.47Å; N385-T389 PolarHBondContact O-N 2.46Å; N385-T389 PolarHBondContact O-OG1 3.26Å; N385-K477 WeakPolarHBondContact OD1-CE 3.49Å; N385-K477 PolarHBondContact OD1-NZ 3.07Å
386	L	98.6	Very high	97.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68.6	-45	171.9	-173.2	157.7	0	0	0	110.9	M382 I383 F384 D388 T389 H390 L391 V469 L472 L473 A527 L530 L531	M382-L386 WeakPolarHBondContact O-CB 3.35Å; M382-L386 PolarHBondContact O-N 3.27Å; I383-L386 PolarHBondContact O-N 3.39Å; F384-L386 VanDerWaalsContact C-N 3.32Å; F384-L386 PolarHBondContact O-N 2.95Å; L386-D388 PolarHBondContact O-N 2.81Å; L386-T389 PolarHBondContact O-N 2.86Å; L386-H390 WeakPolarHBondContact O-CB 3.4Å; L386-H390 PolarHBondContact O-N 2.87Å; L386-L391 HydrophobicContact CD2-CD1 3.63Å; L386-L391 HydrophobicContact CD2-CG 3.91Å; L386-V469 HydrophobicContact CD1-CG1 4.28Å; L386-L472 HydrophobicContact CD1-CD2 4.35Å; L386-L472 HydrophobicContact CD2-CD2 4.41Å; L386-L472 HydrophobicContact CG-CD2 4.44Å; L386-L473 HydrophobicContact CD1-CD2 4.04Å; L386-A527 HydrophobicContact CD2-CB 3.87Å; L386-L530 HydrophobicContact CD2-CD1 4.22Å; L386-L531 HydrophobicContact CB-CD1 4.48Å; L386-L531 HydrophobicContact CD1-CD1 4.33Å; L386-L531 HydrophobicContact CD1-CD2 3.85Å; L386-L531 HydrophobicContact CD1-CG 3.93Å
387	A	98.6	Very high	97.8	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.7	-44.4	180	0	0	0	0	0	112.1	I383 F384 L391 F392 F393 I523 A527	I383-A387 WeakPolarHBondContact O-CB 3.38Å; I383-A387 PolarHBondContact O-N 2.62Å; F384-A387 WeakPolarHBondContact O-CB 3.24Å; F384-A387 PolarHBondContact O-N 3.45Å; F384-A387 VanDerWaalsContact O-N 3.09Å; A387-L391 CarbonylContact O-C 3.5Å; A387-L391 VanDerWaalsContact O-C 3.24Å; A387-L391 VanDerWaalsContact O-CA 3.29Å; A387-L391 WeakPolarHBondContact O-CA 3.36Å; A387-L391 WeakPolarHBondContact O-CB 3.35Å; A387-L391 PolarHBondContact O-N 2.95Å; A387-F392 PolarHBondContact O-N 3.23Å; A387-F393 HydrophobicContact CB-CB 3.78Å; A387-F393 HydrophobicContact CB-CD1 4.48Å; A387-F393 HydrophobicContact CB-CG 4.16Å; A387-F393 WeakPolarHBondContact O-CB 3.32Å; A387-F393 PolarHBondContact O-N 3.41Å; A387-F393 VanDerWaalsContact O-N 3.12Å; A387-I523 HydrophobicContact CB-CG2 4.15Å; A387-A527 HydrophobicContact CB-CB 4.15Å
388	D	97.3	Very high	97.4	Very high	62 Å²	62	53.3 Å²	53.3	33%	0.332	26%	0.258	S	S	.	.	H	α-helix	trans	-69.3	-53.2	176.1	-69.9	-33.9	0	0	0	112.6	F384 L386 H390 F393 N394	F384-D388 WeakPolarHBondContact O-CB 3.23Å; F384-D388 PolarHBondContact O-N 2.77Å; L386-D388 PolarHBondContact O-N 2.81Å; D388-H390 VanDerWaalsContact C-N 3.3Å; D388-H390 PolarHBondContact O-N 3.06Å; D388-F393 WeakPolarHBondContact OD1-CD1 3.22Å; D388-N394 PolarHBondContact OD1-ND2 3.35Å
389	T	97	Very high	97.2	Very high	77 Å²	77	50 Å²	50	47%	0.472	25%	0.248	S	C	.	.	H	α-helix	trans	-69.1	-28.9	-170.9	-51.5	0	0	0	0	112.4	N385 L386	N385-T389 WeakPolarHBondContact O-CB 3.47Å; N385-T389 PolarHBondContact O-N 2.46Å; N385-T389 PolarHBondContact O-OG1 3.26Å; L386-T389 PolarHBondContact O-N 2.86Å
390	H	97.6	Very high	97	Very high	43 Å²	43	50.2 Å²	50.2	20%	0.199	25%	0.249	C	C	.	.	H	α-helix	trans	-129.1	-23.2	-169.1	-55.1	-71	0	0	0	115.4	L386 D388 I461 L472	L386-H390 WeakPolarHBondContact O-CB 3.4Å; L386-H390 PolarHBondContact O-N 2.87Å; D388-H390 VanDerWaalsContact C-N 3.3Å; D388-H390 PolarHBondContact O-N 3.06Å; H390-I461 VanDerWaalsContact O-CD1 3.24Å; H390-I461 WeakPolarHBondContact O-CD1 3.2Å; H390-L472 HydrophobicContact CB-CD1 4.04Å; H390-L472 HydrophobicContact CB-CD2 4.38Å; H390-L472 HydrophobicContact CB-CG 4.39Å; H390-L472 PolarHBondContact CE1-O 2.89Å; H390-L472 VanDerWaalsContact CE1-O 3.28Å; H390-L472 PolarHBondContact NE2-O 3.49Å
391	L	98.5	Very high	97	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-116.6	14.4	-172.2	-49.8	-179.1	0	0	0	113.8	L386 A387 F393 V458 I461 I523 L526 A527	L386-L391 HydrophobicContact CD2-CD1 3.63Å; L386-L391 HydrophobicContact CD2-CG 3.91Å; A387-L391 CarbonylContact O-C 3.5Å; A387-L391 VanDerWaalsContact O-C 3.24Å; A387-L391 VanDerWaalsContact O-CA 3.29Å; A387-L391 WeakPolarHBondContact O-CA 3.36Å; A387-L391 WeakPolarHBondContact O-CB 3.35Å; A387-L391 PolarHBondContact O-N 2.95Å; L391-F393 VanDerWaalsContact C-N 3.32Å; L391-F393 PolarHBondContact O-N 2.94Å; L391-V458 HydrophobicContact CB-CG2 4.11Å; L391-V458 HydrophobicContact CD2-CG1 4.34Å; L391-V458 HydrophobicContact CD2-CG2 4.48Å; L391-V458 WeakPolarHBondContact O-CG2 3.27Å; L391-I461 HydrophobicContact CD2-CB 4.48Å; L391-I461 HydrophobicContact CD2-CG2 3.92Å; L391-I523 HydrophobicContact CB-CG2 3.66Å; L391-I523 HydrophobicContact CD1-CG2 4.45Å; L391-L526 HydrophobicContact CD1-CB 4.28Å; L391-A527 HydrophobicContact CD1-CB 4.25Å
392	F	98.1	Very high	97	Very high	37 Å²	37	43.3 Å²	43.3	16%	0.162	22%	0.218	C	C	.	.			trans	59.3	32.4	176.1	-49.7	-87.2	0	0	0	114.6	A387 N394 D395 L396 F421 R454 R457 V458	A387-F392 PolarHBondContact O-N 3.23Å; F392-N394 PolarHBondContact O-N 2.93Å; F392-D395 HydrophobicContact CB-CB 4.27Å; F392-D395 WeakPolarHBondContact O-CB 3.46Å; F392-D395 PolarHBondContact O-N 3Å; F392-L396 HydrophobicContact CB-CD1 4.1Å; F392-L396 HydrophobicContact CB-CG 4.16Å; F392-L396 WeakPolarHBondContact O-CB 3.5Å; F392-L396 WeakPolarHBondContact O-CG 3.42Å; F392-L396 PolarHBondContact O-N 2.74Å; F392-F421 HydrophobicContact CD1-CB 4.47Å; F392-F421 HydrophobicContact CE1-CB 3.65Å; F392-F421 AromaticContact CE1-CD1 3.83Å; F392-F421 HydrophobicContact CE1-CD1 3.83Å; F392-F421 HydrophobicContact CE1-CD2 4.04Å; F392-F421 AromaticContact CE1-CG 3.56Å; F392-F421 HydrophobicContact CE1-CG 3.56Å; F392-F421 HydrophobicContact CZ-CB 4.35Å; F392-F421 AromaticContact CZ-CD1 3.89Å; F392-F421 HydrophobicContact CZ-CD1 3.89Å; F392-F421 AromaticContact CZ-CD2 3.87Å; F392-F421 HydrophobicContact CZ-CD2 3.87Å; F392-F421 HydrophobicContact CZ-CE1 4.13Å; F392-F421 HydrophobicContact CZ-CE2 4.12Å; F392-F421 AromaticContact CZ-CG 3.77Å; F392-F421 HydrophobicContact CZ-CG 3.77Å; F392-F421 HydrophobicContact CZ-CZ 4.24Å; F392-R454 HydrophobicContact CB-CG 4.49Å; F392-R454 HydrophobicContact CD1-CG 4.4Å; F392-R454 HydrophobicContact CD2-CB 4.41Å; F392-R454 HydrophobicContact CD2-CG 4.45Å; F392-R454 HydrophobicContact CG-CG 4.21Å; F392-R457 HydrophobicContact CE2-CB 3.92Å; F392-R457 HydrophobicContact CE2-CG 3.71Å; F392-R457 HydrophobicContact CZ-CB 4.41Å; F392-R457 HydrophobicContact CZ-CG 3.93Å; F392-V458 HydrophobicContact CD2-CG2 4.08Å
393	F	97.8	Very high	97	Very high	13 Å²	13	42.5 Å²	42.5	6%	0.057	21%	0.213	C	C	.	.	H	α-helix	trans	-58.1	-42.7	-173.7	-177.7	-123.3	0	0	0	113.8	F384 A387 D388 L391 D395 L396 E397 I523 P524	F384-F393 HydrophobicContact CD1-CD1 4.14Å; F384-F393 AromaticContact CD1-CE1 3.75Å; F384-F393 HydrophobicContact CD1-CE1 3.75Å; F384-F393 AromaticContact CE1-CE1 3.77Å; F384-F393 HydrophobicContact CE1-CE1 3.77Å; F384-F393 HydrophobicContact CE1-CZ 4.18Å; A387-F393 HydrophobicContact CB-CB 3.78Å; A387-F393 HydrophobicContact CB-CD1 4.48Å; A387-F393 HydrophobicContact CB-CG 4.16Å; A387-F393 WeakPolarHBondContact O-CB 3.32Å; A387-F393 PolarHBondContact O-N 3.41Å; A387-F393 VanDerWaalsContact O-N 3.12Å; D388-F393 WeakPolarHBondContact OD1-CD1 3.22Å; L391-F393 VanDerWaalsContact C-N 3.32Å; L391-F393 PolarHBondContact O-N 2.94Å; F393-D395 VanDerWaalsContact C-N 3.26Å; F393-D395 PolarHBondContact O-N 2.91Å; F393-L396 PolarHBondContact O-N 3.11Å; F393-E397 HydrophobicContact CD2-CB 4.33Å; F393-E397 HydrophobicContact CE2-CB 3.85Å; F393-E397 HydrophobicContact CE2-CG 4.09Å; F393-E397 HydrophobicContact CZ-CB 4.08Å; F393-E397 HydrophobicContact CZ-CG 3.98Å; F393-E397 PolarHBondContact O-N 3.08Å; F393-I523 HydrophobicContact CB-CG2 3.81Å; F393-I523 HydrophobicContact CD2-CB 4.02Å; F393-I523 HydrophobicContact CD2-CG2 3.97Å; F393-I523 HydrophobicContact CG-CG2 4.27Å; F393-P524 HydrophobicContact CD2-CG 3.95Å; F393-P524 HydrophobicContact CE1-CG 4.43Å; F393-P524 HydrophobicContact CE2-CG 3.56Å; F393-P524 HydrophobicContact CZ-CG 3.84Å
394	N	95.6	Very high	97	Very high	115 Å²	115	42.6 Å²	42.6	62%	0.615	21%	0.214	S	C	*	.	H	α-helix	trans	-52.4	-38.5	171.9	-81.1	-102	0	0	0	113.7	D388 F392	D388-N394 PolarHBondContact OD1-ND2 3.35Å; F392-N394 PolarHBondContact O-N 2.93Å
395	D	95.4	Very high	97	Very high	33 Å²	33	40 Å²	40	18%	0.176	20%	0.204	C	C	.	.	H	α-helix	trans	-78.9	-29.7	177.1	-67.5	48.1	0	0	0	111.6	F392 F393 C399 F426 H427 R454	F392-D395 HydrophobicContact CB-CB 4.27Å; F392-D395 WeakPolarHBondContact O-CB 3.46Å; F392-D395 PolarHBondContact O-N 3Å; F393-D395 VanDerWaalsContact C-N 3.26Å; F393-D395 PolarHBondContact O-N 2.91Å; D395-C399 PolarHBondContact O-SG 3.1Å; D395-C399 VanDerWaalsContact O-SG 3.4Å; D395-F426 HydrophobicContact CB-CD1 4.07Å; D395-F426 HydrophobicContact CB-CE1 3.99Å; D395-F426 VanDerWaalsContact O-CE1 3.28Å; D395-F426 WeakPolarHBondContact O-CE1 3.24Å; D395-H427 VanDerWaalsContact CG-CE1 3.42Å; D395-H427 IonicContact OD1-CE1 2.81Å; D395-H427 PolarHBondContact OD1-CE1 3.15Å; D395-H427 IonicContact OD1-NE2 2.79Å; D395-H427 IonicContact OD2-CE1 3.24Å; D395-R454 IonicContact OD2-CZ 3.74Å; D395-R454 IonicContact OD2-NE 2.7Å; D395-R454 PolarHBondContact OD2-NE 2.74Å; D395-R454 IonicContact OD2-NH2 3.61Å; D395-R454 PolarHBondContact OD2-NH2 2.9Å
396	L	96.9	Very high	97	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-101.6	-17.6	-165.8	-66.7	-177.2	0	0	0	115.3	F392 F393 E398 C399 D400 L451 R454 Y455 V458 I523	F392-L396 HydrophobicContact CB-CD1 4.1Å; F392-L396 HydrophobicContact CB-CG 4.16Å; F392-L396 WeakPolarHBondContact O-CB 3.5Å; F392-L396 WeakPolarHBondContact O-CG 3.42Å; F392-L396 PolarHBondContact O-N 2.74Å; F393-L396 PolarHBondContact O-N 3.11Å; L396-E398 PolarHBondContact O-N 3.02Å; L396-C399 CarbonylContact O-C 3.24Å; L396-C399 VanDerWaalsContact O-C 3.26Å; L396-C399 PolarHBondContact O-N 3.02Å; L396-D400 WeakPolarHBondContact O-CA 2.8Å; L396-D400 PolarHBondContact O-N 3.2Å; L396-L451 HydrophobicContact CD2-CD1 3.47Å; L396-L451 VanDerWaalsContact CD2-CD1 3.47Å; L396-R454 HydrophobicContact CD1-CB 4.24Å; L396-R454 HydrophobicContact CD2-CB 3.95Å; L396-R454 HydrophobicContact CG-CB 4.44Å; L396-Y455 HydrophobicContact CD1-CD1 4.4Å; L396-Y455 HydrophobicContact CD1-CE1 4.07Å; L396-Y455 HydrophobicContact CD1-CE2 4.26Å; L396-Y455 HydrophobicContact CD2-CD2 4.24Å; L396-Y455 HydrophobicContact CD2-CE2 3.76Å; L396-V458 HydrophobicContact CD1-CG2 4.36Å; L396-I523 HydrophobicContact CB-CG1 4.11Å; L396-I523 HydrophobicContact CD1-CD1 3.71Å; L396-I523 HydrophobicContact CD1-CG1 3.79Å
397	E	95	Very high	96.9	Very high	100 Å²	100	39.8 Å²	39.8	47%	0.467	20%	0.203	S	C	.	.	S	Bend	trans	-53.9	-54.8	-176.2	-179.5	169.6	-140.1	0	0	112.9	F393 C399 D400	F393-E397 HydrophobicContact CD2-CB 4.33Å; F393-E397 HydrophobicContact CE2-CB 3.85Å; F393-E397 HydrophobicContact CE2-CG 4.09Å; F393-E397 HydrophobicContact CZ-CB 4.08Å; F393-E397 HydrophobicContact CZ-CG 3.98Å; F393-E397 PolarHBondContact O-N 3.08Å; E397-C399 PolarHBondContact O-N 3.2Å; E397-D400 PolarHBondContact O-N 3.45Å
398	E	91	Very high	96.8	Very high	183 Å²	183	41.2 Å²	41.2	86%	0.855	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-30	179	-63.8	-168.4	160.3	0	0	112.6	L396	L396-E398 PolarHBondContact O-N 3.02Å
399	C	94.1	Very high	96.8	Very high	15 Å²	15	42.6 Å²	42.6	10%	0.101	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	21.6	-173.3	62.2	0	0	0	0	114.5	D395 L396 E397 Q401 W447 L451	D395-C399 PolarHBondContact O-SG 3.1Å; D395-C399 VanDerWaalsContact O-SG 3.4Å; L396-C399 CarbonylContact O-C 3.24Å; L396-C399 VanDerWaalsContact O-C 3.26Å; L396-C399 PolarHBondContact O-N 3.02Å; E397-C399 PolarHBondContact O-N 3.2Å; C399-Q401 PolarHBondContact O-NE2 2.87Å; C399-W447 HydrophobicContact CB-CH2 3.84Å; C399-W447 HydrophobicContact CB-CZ2 3.85Å; C399-L451 HydrophobicContact CB-CD1 4.29Å; C399-L451 HydrophobicContact CB-CD2 4.46Å; C399-L451 WeakPolarHBondContact SG-CD1 3.17Å
400	D	95.5	Very high	96.7	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	22%	0.218	C	C	.	.			trans	-50.7	147.9	-178.2	172.8	63.2	0	0	0	114	L396 E397 Y455 L522 K548	L396-D400 WeakPolarHBondContact O-CA 2.8Å; L396-D400 PolarHBondContact O-N 3.2Å; E397-D400 PolarHBondContact O-N 3.45Å; D400-Y455 WeakPolarHBondContact CA-OH 3.39Å; D400-L522 WeakPolarHBondContact OD1-CB 3.24Å; D400-L522 PolarHBondContact OD1-N 3.12Å; D400-K548 WeakPolarHBondContact O-CD 3.48Å; D400-K548 WeakPolarHBondContact O-CE 3.24Å; D400-K548 PolarHBondContact O-NZ 2.73Å
401	Q	98	Very high	96.6	Very high	44 Å²	44	40.9 Å²	40.9	21%	0.206	22%	0.217	C	C	.	.			trans	-122.6	148.7	-169.6	-63.1	-61.4	-51.1	0	0	111.5	C399 D406 V407 Y455 L522	C399-Q401 PolarHBondContact O-NE2 2.87Å; Q401-D406 HydrophobicContact CB-CB 4.44Å; Q401-V407 HydrophobicContact CG-CG1 4.19Å; Q401-Y455 HydrophobicContact CB-CE1 4.31Å; Q401-Y455 HydrophobicContact CB-CE2 4.15Å; Q401-Y455 HydrophobicContact CG-CD2 4.07Å; Q401-Y455 HydrophobicContact CG-CE1 4.38Å; Q401-Y455 HydrophobicContact CG-CE2 3.35Å; Q401-Y455 PolarHBondContact N-OH 1.82Å; Q401-L522 VanDerWaalsContact O-CB 3.23Å; Q401-L522 WeakPolarHBondContact O-CB 3.27Å; Q401-L522 WeakPolarHBondContact O-CD2 3.26Å
402	V	98.5	Very high	96.4	Very high	13 Å²	13	45.1 Å²	45.1	8%	0.079	24%	0.239	C	C	.	.	S	Bend	trans	-69.7	-35.2	179.8	167.5	0	0	0	0	111.5	D406 Y544 S545 I549 R557	V402-D406 PolarHBondContact N-OD2 2.88Å; V402-Y544 CarbonylContact O-C 3.55Å; V402-Y544 WeakPolarHBondContact O-CA 3.37Å; V402-S545 WeakPolarHBondContact CG1-O 3.2Å; V402-S545 PolarHBondContact O-N 2.96Å; V402-I549 HydrophobicContact CB-CD1 4.38Å; V402-I549 HydrophobicContact CG1-CD1 3.66Å; V402-I549 HydrophobicContact CG1-CG1 4.24Å; V402-I549 HydrophobicContact CG2-CD1 3.88Å; V402-I549 HydrophobicContact CG2-CG1 3.86Å; V402-I549 HydrophobicContact CG2-CG2 3.98Å; V402-R557 VanDerWaalsContact CG1-NH1 3.28Å
403	H	98.7	Very high	96.3	Very high	5 Å²	5	46.3 Å²	46.3	2%	0.023	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-141.5	148.3	-178.9	-177.5	-92.9	0	0	0	111.5	N329 D405 D406 E541 I543 Y544	N329-H403 PolarHBondContact ND2-CE1 3.3Å; N329-H403 VanDerWaalsContact ND2-CE1 3.26Å; H403-D405 VanDerWaalsContact CE1-CB 3.41Å; H403-D405 WeakPolarHBondContact CE1-CB 3.4Å; H403-D405 IonicContact CE1-OD2 3.44Å; H403-D405 PolarHBondContact CE1-OD2 3.04Å; H403-D405 PolarHBondContact ND1-N 3.32Å; H403-D405 PolarHBondContact O-N 3.44Å; H403-D405 VanDerWaalsContact O-N 3.09Å; H403-D406 PolarHBondContact N-OD2 2.85Å; H403-D406 WeakPolarHBondContact O-CB 3.41Å; H403-D406 PolarHBondContact O-N 2.89Å; H403-D406 VanDerWaalsContact O-N 3.08Å; H403-E541 WeakPolarHBondContact NE2-CA 3.42Å; H403-E541 CovalentContact NE2-O 1.82Å; H403-E541 PolarHBondContact NE2-O 3.11Å; H403-I543 PolarHBondContact CD2-O 3.01Å; H403-Y544 HydrophobicContact CB-CD1 4.09Å; H403-Y544 HydrophobicContact CB-CE1 4.19Å; H403-Y544 AromaticContact CD2-CD1 3.71Å; H403-Y544 AromaticContact CD2-CE1 3.37Å; H403-Y544 WeakPolarHBondContact CD2-CE1 3.48Å; H403-Y544 AromaticContact CD2-CZ 3.68Å; H403-Y544 AromaticContact CG-CE1 3.97Å
404	I	98.4	Very high	96.2	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.1	-172.9	-168.1	64.1	0	0	0	114.2	Y455 V458 K459 L526 I540	I404-Y455 HydrophobicContact CD1-CD1 3.89Å; I404-Y455 WeakPolarHBondContact CD1-O 3.45Å; I404-V458 HydrophobicContact CD1-CB 4.34Å; I404-V458 HydrophobicContact CD1-CG1 3.89Å; I404-K459 HydrophobicContact CD1-CB 4.3Å; I404-K459 HydrophobicContact CG1-CB 3.89Å; I404-K459 HydrophobicContact CG1-CD 3.98Å; I404-K459 HydrophobicContact CG1-CG 3.98Å; I404-K459 HydrophobicContact CG2-CD 4.32Å; I404-L526 HydrophobicContact CD1-CD1 4.34Å; I404-I540 HydrophobicContact CB-CD1 4.38Å; I404-I540 HydrophobicContact CB-CG1 4.08Å; I404-I540 HydrophobicContact CD1-CD1 3.76Å; I404-I540 HydrophobicContact CD1-CG1 4.37Å; I404-I540 HydrophobicContact CG1-CD1 3.72Å; I404-I540 HydrophobicContact CG1-CG1 3.93Å; I404-I540 HydrophobicContact CG2-CG1 4.14Å
405	D	98	Very high	96.1	Very high	30 Å²	30	48.5 Å²	48.5	16%	0.16	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	5.1	-176.8	-64.2	-58.6	0	0	0	113.6	H403 V407 S408 K459	H403-D405 VanDerWaalsContact CE1-CB 3.41Å; H403-D405 WeakPolarHBondContact CE1-CB 3.4Å; H403-D405 IonicContact CE1-OD2 3.44Å; H403-D405 PolarHBondContact CE1-OD2 3.04Å; H403-D405 PolarHBondContact ND1-N 3.32Å; H403-D405 PolarHBondContact O-N 3.44Å; H403-D405 VanDerWaalsContact O-N 3.09Å; D405-V407 VanDerWaalsContact C-N 3.27Å; D405-V407 PolarHBondContact O-N 3.02Å; D405-S408 VanDerWaalsContact O-CB 3.23Å; D405-S408 WeakPolarHBondContact O-CB 3.4Å; D405-S408 PolarHBondContact O-N 2.64Å; D405-S408 PolarHBondContact O-OG 2.93Å; D405-K459 IonicContact OD1-NZ 3.1Å; D405-K459 PolarHBondContact OD1-NZ 3.04Å; D405-K459 IonicContact OD2-NZ 2.67Å; D405-K459 PolarHBondContact OD2-NZ 2.82Å
406	D	98	Very high	96.1	Very high	50 Å²	50	47.1 Å²	47.1	27%	0.267	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-31.4	-172.5	-81	-17.3	0	0	0	114.3	Q401 V402 H403 R557	Q401-D406 HydrophobicContact CB-CB 4.44Å; V402-D406 PolarHBondContact N-OD2 2.88Å; H403-D406 PolarHBondContact N-OD2 2.85Å; H403-D406 WeakPolarHBondContact O-CB 3.41Å; H403-D406 PolarHBondContact O-N 2.89Å; H403-D406 VanDerWaalsContact O-N 3.08Å; D406-R557 VanDerWaalsContact CG-NH1 3.34Å; D406-R557 IonicContact OD1-CZ 2.75Å; D406-R557 VanDerWaalsContact OD1-CZ 3.28Å; D406-R557 IonicContact OD1-NH1 2.9Å; D406-R557 PolarHBondContact OD1-NH1 3.48Å; D406-R557 IonicContact OD1-NH2 3.33Å; D406-R557 PolarHBondContact OD1-NH2 2.84Å; D406-R557 IonicContact OD2-CZ 2.61Å; D406-R557 IonicContact OD2-NH1 3.66Å; D406-R557 PolarHBondContact OD2-NH1 3.01Å; D406-R557 IonicContact OD2-NH2 2.63Å
407	V	97.3	Very high	96	Very high	6 Å²	6	50.9 Å²	50.9	4%	0.036	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	4.6	177.4	-65.2	0	0	0	0	113.6	Q401 D405 S409 D410 M448 L451 A452 Y455	Q401-V407 HydrophobicContact CG-CG1 4.19Å; D405-V407 VanDerWaalsContact C-N 3.27Å; D405-V407 PolarHBondContact O-N 3.02Å; V407-S409 PolarHBondContact O-N 2.91Å; V407-D410 PolarHBondContact O-N 2.93Å; V407-M448 HydrophobicContact CB-CE 4.34Å; V407-M448 HydrophobicContact CG1-CE 3.97Å; V407-L451 HydrophobicContact CG1-CD2 3.91Å; V407-L451 HydrophobicContact CG1-CG 4.25Å; V407-L451 HydrophobicContact CG2-CG 4.37Å; V407-A452 HydrophobicContact CB-CB 4.4Å; V407-A452 HydrophobicContact CG2-CB 4.17Å; V407-A452 VanDerWaalsContact O-CB 3.29Å; V407-A452 WeakPolarHBondContact O-CB 3.21Å; V407-Y455 HydrophobicContact CG2-CD2 3.7Å; V407-Y455 HydrophobicContact CG2-CG 4.21Å
408	S	96.5	Very high	96	Very high	30 Å²	30	52.4 Å²	52.4	21%	0.21	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-8.5	-174.3	65.8	0	0	0	0	114.8	N328 D405 D410	N328-S408 WeakPolarHBondContact CB-OG 3.41Å; N328-S408 PolarHBondContact ND2-O 2.76Å; N328-S408 PolarHBondContact ND2-OG 3.5Å; D405-S408 VanDerWaalsContact O-CB 3.23Å; D405-S408 WeakPolarHBondContact O-CB 3.4Å; D405-S408 PolarHBondContact O-N 2.64Å; D405-S408 PolarHBondContact O-OG 2.93Å; S408-D410 VanDerWaalsContact C-N 3.29Å
409	S	96.3	Very high	96.3	Very high	90 Å²	90	46.1 Å²	46.1	63%	0.629	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.8	172.7	47.1	0	0	0	0	114.5	V407	V407-S409 PolarHBondContact O-N 2.91Å
410	D	96.4	Very high	96.3	Very high	53 Å²	53	49.9 Å²	49.9	28%	0.283	30%	0.296	S	S	.	.	S	Bend	trans	-102.5	-8.5	-171.7	-67.3	-101.8	0	0	0	112.4	V407 S408 M448 R449	V407-D410 PolarHBondContact O-N 2.93Å; S408-D410 VanDerWaalsContact C-N 3.29Å; D410-M448 HydrophobicContact CB-CB 4.02Å; D410-R449 WeakPolarHBondContact O-CG 3.37Å
411	D	94.8	Very high	96.4	Very high	32 Å²	32	50.9 Å²	50.9	17%	0.171	30%	0.3	C	S	.	.			trans	-67	145.1	168	-153.5	-48.9	0	0	0	111.1	G413 A452 F453 R456	D411-G413 PolarHBondContact OD1-N 3.32Å; D411-A452 HydrophobicContact CB-CB 3.92Å; D411-F453 WeakPolarHBondContact OD1-CE1 3.47Å; D411-R456 IonicContact OD1-CZ 3.11Å; D411-R456 IonicContact OD1-NE 3.04Å; D411-R456 IonicContact OD1-NH2 3.28Å; D411-R456 PolarHBondContact OD1-NH2 2.73Å; D411-R456 IonicContact OD2-CZ 3.97Å; D411-R456 IonicContact OD2-NE 2.64Å; D411-R456 PolarHBondContact OD2-NE 3.21Å; D411-R456 IonicContact OD2-NH2 3.52Å; D411-R456 PolarHBondContact OD2-NH2 2.68Å
412	N	94.9	Very high	96.2	Very high	89 Å²	89	54.3 Å²	54.3	48%	0.476	33%	0.329	S	S	.	.			trans	-101.8	-0.6	176.5	66.7	-2.7	0	0	0	113.3	Q414 F453	N412-Q414 VanDerWaalsContact C-N 3.3Å; N412-Q414 PolarHBondContact ND2-OE1 3Å; N412-Q414 PolarHBondContact O-N 3.44Å; N412-Q414 VanDerWaalsContact OD1-CB 3.25Å; N412-Q414 WeakPolarHBondContact OD1-CB 3.32Å; N412-Q414 WeakPolarHBondContact OD1-CG 3.41Å; N412-Q414 PolarHBondContact OD1-N 3.31Å; N412-Q414 PolarHBondContact OD1-OE1 2.86Å; N412-F453 VanDerWaalsContact OD1-CE1 3.26Å; N412-F453 WeakPolarHBondContact OD1-CE1 3.47Å; N412-F453 WeakPolarHBondContact OD1-CZ 3.48Å
413	G	94.6	Very high	96	Very high	62 Å²	62	57.1 Å²	57.1	64%	0.639	35%	0.353	S	S	*	.			trans	73.3	15.4	-176.9	0	0	0	0	0	114.5	D411	D411-G413 PolarHBondContact OD1-N 3.32Å
414	Q	95.7	Very high	95.7	Very high	65 Å²	65	58 Å²	58	30%	0.304	36%	0.358	S	S	.	.			trans	-65.5	149.9	177.3	76.3	-175.3	33.5	0	0	111.7	N412 L416 Y419 F453 R456	N412-Q414 VanDerWaalsContact C-N 3.3Å; N412-Q414 PolarHBondContact ND2-OE1 3Å; N412-Q414 PolarHBondContact O-N 3.44Å; N412-Q414 VanDerWaalsContact OD1-CB 3.25Å; N412-Q414 WeakPolarHBondContact OD1-CB 3.32Å; N412-Q414 WeakPolarHBondContact OD1-CG 3.41Å; N412-Q414 PolarHBondContact OD1-N 3.31Å; N412-Q414 PolarHBondContact OD1-OE1 2.86Å; Q414-L416 HydrophobicContact CG-CD2 4.14Å; Q414-L416 PolarHBondContact O-N 2.62Å; Q414-Y419 VanDerWaalsContact NE2-CD2 3.34Å; Q414-F453 HydrophobicContact CG-CE1 3.86Å; Q414-F453 HydrophobicContact CG-CE2 4.46Å; Q414-F453 HydrophobicContact CG-CZ 3.69Å; Q414-F453 VanDerWaalsContact NE2-CZ 3.27Å; Q414-R456 VanDerWaalsContact O-CZ 3.32Å; Q414-R456 PolarHBondContact O-NH1 2.88Å; Q414-R456 PolarHBondContact O-NH2 2.89Å
415	D	94.6	Very high	95.4	Very high	110 Å²	110	59.6 Å²	59.6	59%	0.588	38%	0.375	S	S	*	.			trans	-61.8	137.2	169.7	-177.8	20.7	0	0	0	110.6	S417	D415-S417 WeakPolarHBondContact OD1-CB 3.39Å; D415-S417 PolarHBondContact OD1-N 2.78Å; D415-S417 PolarHBondContact OD1-OG 2.68Å; D415-S417 WeakPolarHBondContact OD2-CB 3.31Å; D415-S417 PolarHBondContact OD2-OG 2.78Å
416	L	95.9	Very high	95	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	37%	0.369	C	S	.	.			trans	-107.1	-0.6	178.8	-62.1	175.1	0	0	0	112.5	Q414 T418 Y419 F421 F453 R456 R457	Q414-L416 HydrophobicContact CG-CD2 4.14Å; Q414-L416 PolarHBondContact O-N 2.62Å; L416-T418 PolarHBondContact O-N 2.86Å; L416-Y419 HydrophobicContact CD2-CD1 4.17Å; L416-Y419 HydrophobicContact CD2-CD2 4.2Å; L416-Y419 HydrophobicContact CD2-CG 3.79Å; L416-Y419 PolarHBondContact O-N 3.03Å; L416-F421 HydrophobicContact CB-CZ 4.26Å; L416-F421 HydrophobicContact CD1-CZ 4.19Å; L416-F421 HydrophobicContact CD2-CZ 4.35Å; L416-F421 HydrophobicContact CG-CZ 4.49Å; L416-F453 HydrophobicContact CD1-CB 4.06Å; L416-F453 HydrophobicContact CD1-CD1 4.47Å; L416-F453 HydrophobicContact CD1-CG 4.49Å; L416-F453 WeakPolarHBondContact CD1-O 3.33Å; L416-F453 HydrophobicContact CD2-CB 4.01Å; L416-F453 HydrophobicContact CD2-CD1 4.03Å; L416-F453 HydrophobicContact CD2-CD2 4.15Å; L416-F453 HydrophobicContact CD2-CG 3.83Å; L416-R456 HydrophobicContact CD1-CG 4.5Å; L416-R456 VanDerWaalsContact CD1-CZ 3.49Å; L416-R457 HydrophobicContact CD1-CB 4.35Å
417	S	93.5	Very high	94.4	Very high	80 Å²	80	61 Å²	61	56%	0.559	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.9	-179.2	75.7	0	0	0	0	113.9	D415	D415-S417 WeakPolarHBondContact OD1-CB 3.39Å; D415-S417 PolarHBondContact OD1-N 2.78Å; D415-S417 PolarHBondContact OD1-OG 2.68Å; D415-S417 WeakPolarHBondContact OD2-CB 3.31Å; D415-S417 PolarHBondContact OD2-OG 2.78Å
418	T	95.1	Very high	93.3	Very high	131 Å²	131	64 Å²	64	80%	0.804	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	13.5	176.4	62.4	0	0	0	0	113.2	L416	L416-T418 PolarHBondContact O-N 2.86Å
419	Y	96.6	Very high	91.7	Very high	51 Å²	51	63.2 Å²	63.2	20%	0.2	40%	0.399	C	S	.	.			trans	-81.3	124.8	-178	-173	-94.3	0	0	0	111.4	Q414 L416 F421 D424 F453	Q414-Y419 VanDerWaalsContact NE2-CD2 3.34Å; L416-Y419 HydrophobicContact CD2-CD1 4.17Å; L416-Y419 HydrophobicContact CD2-CD2 4.2Å; L416-Y419 HydrophobicContact CD2-CG 3.79Å; L416-Y419 PolarHBondContact O-N 3.03Å; Y419-F421 AromaticContact CD1-CD1 3.78Å; Y419-F421 HydrophobicContact CD1-CD1 3.78Å; Y419-F421 AromaticContact CD1-CD2 3.84Å; Y419-F421 HydrophobicContact CD1-CD2 3.84Å; Y419-F421 AromaticContact CD1-CE1 3.73Å; Y419-F421 HydrophobicContact CD1-CE1 3.73Å; Y419-F421 AromaticContact CD1-CE2 3.78Å; Y419-F421 HydrophobicContact CD1-CE2 3.78Å; Y419-F421 AromaticContact CD1-CG 3.83Å; Y419-F421 HydrophobicContact CD1-CG 3.83Å; Y419-F421 AromaticContact CD1-CZ 3.72Å; Y419-F421 HydrophobicContact CD1-CZ 3.72Å; Y419-F421 AromaticContact CE1-CD1 3.83Å; Y419-F421 HydrophobicContact CE1-CD1 3.83Å; Y419-F421 AromaticContact CE1-CE1 3.99Å; Y419-F421 HydrophobicContact CE1-CE1 3.99Å; Y419-F421 HydrophobicContact CE1-CG 4.15Å; Y419-F421 HydrophobicContact CE1-CZ 4.44Å; Y419-F421 WeakPolarHBondContact O-CD2 3.49Å; Y419-F421 PolarHBondContact O-N 2.97Å; Y419-D424 HydrophobicContact CE1-CB 4.07Å; Y419-D424 VanDerWaalsContact OH-CB 3.31Å; Y419-D424 WeakPolarHBondContact OH-CB 3.4Å; Y419-D424 PolarHBondContact OH-OD2 3.03Å; Y419-D424 VanDerWaalsContact OH-OD2 3.09Å; Y419-F453 HydrophobicContact CE1-CD2 4.1Å; Y419-F453 AromaticContact CE2-CD2 3.99Å; Y419-F453 HydrophobicContact CE2-CD2 3.99Å; Y419-F453 AromaticContact CE2-CE2 3.92Å; Y419-F453 HydrophobicContact CE2-CE2 3.92Å; Y419-F453 AromaticContact CZ-CD2 3.67Å
420	N	96.1	Very high	90.1	Very high	95 Å²	95	60.2 Å²	60.2	51%	0.508	38%	0.38	S	S	.	.			trans	-92.5	87.5	-176.9	-171.5	-3.4	0	0	0	111.9	S422 A423 D424	N420-S422 VanDerWaalsContact C-N 3.31Å; N420-S422 PolarHBondContact O-N 2.74Å; N420-S422 PolarHBondContact OD1-N 2.79Å; N420-S422 PolarHBondContact OD1-OG 3.4Å; N420-S422 VanDerWaalsContact OD1-OG 3.08Å; N420-A423 HydrophobicContact CB-CB 4.41Å; N420-A423 WeakPolarHBondContact ND2-CB 3.2Å; N420-A423 PolarHBondContact O-N 2.8Å; N420-D424 PolarHBondContact O-N 2.95Å
421	F	96.4	Very high	88.3	Confident	25 Å²	25	63.3 Å²	63.3	11%	0.11	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-57.9	-35	-179.8	-65.3	-90.2	0	0	0	114.2	F392 L416 Y419 A423 D424 F453 R454 R457	F392-F421 HydrophobicContact CD1-CB 4.47Å; F392-F421 HydrophobicContact CE1-CB 3.65Å; F392-F421 AromaticContact CE1-CD1 3.83Å; F392-F421 HydrophobicContact CE1-CD1 3.83Å; F392-F421 HydrophobicContact CE1-CD2 4.04Å; F392-F421 AromaticContact CE1-CG 3.56Å; F392-F421 HydrophobicContact CE1-CG 3.56Å; F392-F421 HydrophobicContact CZ-CB 4.35Å; F392-F421 AromaticContact CZ-CD1 3.89Å; F392-F421 HydrophobicContact CZ-CD1 3.89Å; F392-F421 AromaticContact CZ-CD2 3.87Å; F392-F421 HydrophobicContact CZ-CD2 3.87Å; F392-F421 HydrophobicContact CZ-CE1 4.13Å; F392-F421 HydrophobicContact CZ-CE2 4.12Å; F392-F421 AromaticContact CZ-CG 3.77Å; F392-F421 HydrophobicContact CZ-CG 3.77Å; F392-F421 HydrophobicContact CZ-CZ 4.24Å; L416-F421 HydrophobicContact CB-CZ 4.26Å; L416-F421 HydrophobicContact CD1-CZ 4.19Å; L416-F421 HydrophobicContact CD2-CZ 4.35Å; L416-F421 HydrophobicContact CG-CZ 4.49Å; Y419-F421 AromaticContact CD1-CD1 3.78Å; Y419-F421 HydrophobicContact CD1-CD1 3.78Å; Y419-F421 AromaticContact CD1-CD2 3.84Å; Y419-F421 HydrophobicContact CD1-CD2 3.84Å; Y419-F421 AromaticContact CD1-CE1 3.73Å; Y419-F421 HydrophobicContact CD1-CE1 3.73Å; Y419-F421 AromaticContact CD1-CE2 3.78Å; Y419-F421 HydrophobicContact CD1-CE2 3.78Å; Y419-F421 AromaticContact CD1-CG 3.83Å; Y419-F421 HydrophobicContact CD1-CG 3.83Å; Y419-F421 AromaticContact CD1-CZ 3.72Å; Y419-F421 HydrophobicContact CD1-CZ 3.72Å; Y419-F421 AromaticContact CE1-CD1 3.83Å; Y419-F421 HydrophobicContact CE1-CD1 3.83Å; Y419-F421 AromaticContact CE1-CE1 3.99Å; Y419-F421 HydrophobicContact CE1-CE1 3.99Å; Y419-F421 HydrophobicContact CE1-CG 4.15Å; Y419-F421 HydrophobicContact CE1-CZ 4.44Å; Y419-F421 WeakPolarHBondContact O-CD2 3.49Å; Y419-F421 PolarHBondContact O-N 2.97Å; F421-A423 VanDerWaalsContact C-N 3.31Å; F421-A423 PolarHBondContact O-N 3.22Å; F421-D424 VanDerWaalsContact O-OD1 3.06Å; F421-F453 HydrophobicContact CE1-CB 4.13Å; F421-R454 HydrophobicContact CD1-CG 3.96Å; F421-R454 HydrophobicContact CE1-CG 4.18Å; F421-R454 PolarHBondContact O-NH2 2.98Å; F421-R454 VanDerWaalsContact O-NH2 3.16Å; F421-R457 HydrophobicContact CE1-CB 4.22Å; F421-R457 HydrophobicContact CE2-CB 4.45Å; F421-R457 HydrophobicContact CE2-CG 4.01Å; F421-R457 HydrophobicContact CZ-CB 3.71Å; F421-R457 HydrophobicContact CZ-CG 3.76Å
422	S	94.1	Very high	86.3	Confident	116 Å²	116	63.7 Å²	63.7	81%	0.811	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-77.5	-16.2	-177.8	62.5	0	0	0	0	113.7	N420	N420-S422 VanDerWaalsContact C-N 3.31Å; N420-S422 PolarHBondContact O-N 2.74Å; N420-S422 PolarHBondContact OD1-N 2.79Å; N420-S422 PolarHBondContact OD1-OG 3.4Å; N420-S422 VanDerWaalsContact OD1-OG 3.08Å
423	A	94	Very high	84.3	Confident	72 Å²	72	61.8 Å²	61.8	60%	0.595	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-108.7	2.7	178	0	0	0	0	0	113.8	N420 F421 G425	N420-A423 HydrophobicContact CB-CB 4.41Å; N420-A423 WeakPolarHBondContact ND2-CB 3.2Å; N420-A423 PolarHBondContact O-N 2.8Å; F421-A423 VanDerWaalsContact C-N 3.31Å; F421-A423 PolarHBondContact O-N 3.22Å; A423-G425 VanDerWaalsContact C-N 3.26Å; A423-G425 PolarHBondContact O-N 2.7Å
424	D	93.4	Very high	82	Confident	24 Å²	24	66.3 Å²	66.3	13%	0.128	41%	0.413	C	S	.	.	S	Bend	trans	-76.7	-10.6	-175.9	81.2	-10.4	0	0	0	114.3	Y419 N420 F421 F426 K450 R454	Y419-D424 HydrophobicContact CE1-CB 4.07Å; Y419-D424 VanDerWaalsContact OH-CB 3.31Å; Y419-D424 WeakPolarHBondContact OH-CB 3.4Å; Y419-D424 PolarHBondContact OH-OD2 3.03Å; Y419-D424 VanDerWaalsContact OH-OD2 3.09Å; N420-D424 PolarHBondContact O-N 2.95Å; F421-D424 VanDerWaalsContact O-OD1 3.06Å; D424-F426 WeakPolarHBondContact OD1-CB 3.38Å; D424-F426 PolarHBondContact OD1-N 2.65Å; D424-K450 HydrophobicContact CB-CD 4.48Å; D424-K450 WeakPolarHBondContact O-CE 3.47Å; D424-K450 PolarHBondContact O-NZ 2.78Å; D424-R454 IonicContact OD1-CZ 2.88Å; D424-R454 IonicContact OD1-NH1 3.7Å; D424-R454 IonicContact OD1-NH2 3.25Å; D424-R454 PolarHBondContact OD1-NH2 3.48Å; D424-R454 VanDerWaalsContact OD1-NH2 3.1Å; D424-R454 IonicContact OD2-CZ 3.3Å; D424-R454 IonicContact OD2-NH1 2.69Å; D424-R454 PolarHBondContact OD2-NH1 2.81Å; D424-R454 IonicContact OD2-NH2 2.7Å; D424-R454 PolarHBondContact OD2-NH2 3.28Å
425	G	90.7	Very high	79.5	Confident	37 Å²	37	68.9 Å²	68.9	38%	0.381	43%	0.428	S	S	.	.			trans	73.3	22.4	178.2	0	0	0	0	0	114.6	A423 H427 A428 A429	A423-G425 VanDerWaalsContact C-N 3.26Å; A423-G425 PolarHBondContact O-N 2.7Å; G425-H427 PolarHBondContact O-N 2.73Å; G425-A428 PolarHBondContact O-N 3.16Å; G425-A428 VanDerWaalsContact O-N 3.11Å; G425-A429 PolarHBondContact O-N 3.07Å
426	F	91	Very high	77	Confident	5 Å²	5	70 Å²	70	2%	0.022	44%	0.442	C	S	.	.	H	α-helix	trans	-47.8	-51.3	179.5	178.2	-104.9	0	0	0	114	D395 D424 A428 A429 A430 W447 K450 L451 R454	D395-F426 HydrophobicContact CB-CD1 4.07Å; D395-F426 HydrophobicContact CB-CE1 3.99Å; D395-F426 VanDerWaalsContact O-CE1 3.28Å; D395-F426 WeakPolarHBondContact O-CE1 3.24Å; D424-F426 WeakPolarHBondContact OD1-CB 3.38Å; D424-F426 PolarHBondContact OD1-N 2.65Å; F426-A428 PolarHBondContact O-N 3.32Å; F426-A429 CarbonylContact O-C 3.54Å; F426-A429 WeakPolarHBondContact O-CA 3.27Å; F426-A429 WeakPolarHBondContact O-CB 3.33Å; F426-A429 PolarHBondContact O-N 2.67Å; F426-A429 VanDerWaalsContact O-N 3.1Å; F426-A430 PolarHBondContact O-N 2.93Å; F426-W447 AromaticContact CD2-CD1 3.65Å; F426-W447 AromaticContact CD2-NE1 3.65Å; F426-W447 AromaticContact CE1-NE1 3.96Å; F426-W447 AromaticContact CE2-CD1 3.53Å; F426-W447 HydrophobicContact CE2-CD2 4.32Å; F426-W447 AromaticContact CE2-CE2 3.68Å; F426-W447 HydrophobicContact CE2-CG 4.24Å; F426-W447 HydrophobicContact CE2-CZ2 4.26Å; F426-W447 AromaticContact CE2-NE1 3.12Å; F426-W447 AromaticContact CZ-CE2 3.76Å; F426-W447 AromaticContact CZ-CZ2 3.96Å; F426-W447 HydrophobicContact CZ-CZ2 3.96Å; F426-W447 AromaticContact CZ-NE1 3.3Å; F426-W447 VanDerWaalsContact CZ-NE1 3.3Å; F426-K450 HydrophobicContact CD2-CB 3.64Å; F426-K450 HydrophobicContact CE2-CB 4.3Å; F426-L451 HydrophobicContact CE2-CB 4.04Å; F426-L451 HydrophobicContact CE2-CD1 4.48Å; F426-L451 HydrophobicContact CZ-CD1 4.17Å; F426-R454 VanDerWaalsContact CB-CZ 3.49Å
427	H	84.4	Confident	74.5	Confident	105 Å²	105	75.1 Å²	75.1	49%	0.486	47%	0.469	S	S	.	.	H	α-helix	trans	-59.7	-41.5	177.6	-63.7	105.6	0	0	0	113.2	D395 G425 A429 A430 T431	D395-H427 VanDerWaalsContact CG-CE1 3.42Å; D395-H427 IonicContact OD1-CE1 2.81Å; D395-H427 PolarHBondContact OD1-CE1 3.15Å; D395-H427 IonicContact OD1-NE2 2.79Å; D395-H427 IonicContact OD2-CE1 3.24Å; G425-H427 PolarHBondContact O-N 2.73Å; H427-A429 VanDerWaalsContact C-N 3.29Å; H427-A429 PolarHBondContact O-N 3.3Å; H427-A430 WeakPolarHBondContact O-CB 3.42Å; H427-A430 PolarHBondContact O-N 2.88Å; H427-A430 VanDerWaalsContact O-N 3.14Å; H427-T431 PolarHBondContact O-N 3.17Å; H427-T431 PolarHBondContact O-OG1 3.09Å
428	A	74	Confident	72	Confident	69 Å²	69	76.5 Å²	76.5	57%	0.57	49%	0.486	S	S	*	.	H	α-helix	trans	-66.9	-32.2	176.3	0	0	0	0	0	112.3	G425 F426 S432	G425-A428 PolarHBondContact O-N 3.16Å; G425-A428 VanDerWaalsContact O-N 3.11Å; F426-A428 PolarHBondContact O-N 3.32Å; A428-S432 WeakPolarHBondContact O-CB 3.49Å; A428-S432 PolarHBondContact O-N 3.22Å; A428-S432 PolarHBondContact O-OG 3.23Å
429	A	63.3	Low	69.5	Low	12 Å²	12	77.1 Å²	77.1	10%	0.099	49%	0.49	C	S	.	.	H	α-helix	trans	-72	-31.6	172	0	0	0	0	0	112.4	G425 F426 H427 S432 A433 W447	G425-A429 PolarHBondContact O-N 3.07Å; F426-A429 CarbonylContact O-C 3.54Å; F426-A429 WeakPolarHBondContact O-CA 3.27Å; F426-A429 WeakPolarHBondContact O-CB 3.33Å; F426-A429 PolarHBondContact O-N 2.67Å; F426-A429 VanDerWaalsContact O-N 3.1Å; H427-A429 VanDerWaalsContact C-N 3.29Å; H427-A429 PolarHBondContact O-N 3.3Å; A429-S432 WeakPolarHBondContact CA-OG 3.44Å; A429-S432 PolarHBondContact O-OG 3.44Å; A429-A433 PolarHBondContact O-N 3.43Å; A429-W447 HydrophobicContact CB-CB 4.07Å; A429-W447 HydrophobicContact CB-CG 4.43Å
430	A	61.9	Low	66.9	Low	28 Å²	28	76.5 Å²	76.5	23%	0.231	50%	0.499	C	S	.	.	H	α-helix	trans	-65.4	-53.9	173.8	0	0	0	0	0	111.5	F426 H427 S432 A433	F426-A430 PolarHBondContact O-N 2.93Å; H427-A430 WeakPolarHBondContact O-CB 3.42Å; H427-A430 PolarHBondContact O-N 2.88Å; H427-A430 VanDerWaalsContact O-N 3.14Å; A430-S432 PolarHBondContact O-N 3.01Å; A430-A433 VanDerWaalsContact O-CB 3.29Å; A430-A433 WeakPolarHBondContact O-CB 3.25Å; A430-A433 PolarHBondContact O-N 2.78Å
431	T	59.7	Low	64.7	Low	118 Å²	118	78.9 Å²	78.9	72%	0.724	52%	0.516	S	S	*	.	H	α-helix	trans	-60.9	-32.6	179.2	-41.7	0	0	0	0	112.3	H427	H427-T431 PolarHBondContact O-N 3.17Å; H427-T431 PolarHBondContact O-OG1 3.09Å
432	S	52.4	Low	62.8	Low	40 Å²	40	87.6 Å²	87.6	28%	0.28	55%	0.548	S	S	.	.	H	α-helix	trans	-87.3	-6.6	177.1	59.2	0	0	0	0	114.8	A428 A429 A430 N434 L435	A428-S432 WeakPolarHBondContact O-CB 3.49Å; A428-S432 PolarHBondContact O-N 3.22Å; A428-S432 PolarHBondContact O-OG 3.23Å; A429-S432 WeakPolarHBondContact CA-OG 3.44Å; A429-S432 PolarHBondContact O-OG 3.44Å; A430-S432 PolarHBondContact O-N 3.01Å; S432-N434 PolarHBondContact O-N 3.19Å; S432-L435 PolarHBondContact O-N 3.27Å; S432-L435 VanDerWaalsContact O-O 3.1Å
433	A	52.8	Low	61.5	Low	48 Å²	48	83.7 Å²	83.7	40%	0.397	53%	0.527	S	S	.	.	H	α-helix	trans	-61.9	-31.7	174.8	0	0	0	0	0	112.3	A429 A430	A429-A433 PolarHBondContact O-N 3.43Å; A430-A433 VanDerWaalsContact O-CB 3.29Å; A430-A433 WeakPolarHBondContact O-CB 3.25Å; A430-A433 PolarHBondContact O-N 2.78Å
434	N	47	Very low	61	Low	158 Å²	158	82 Å²	82	85%	0.845	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-9.6	174.9	-76	-30.5	0	0	0	114.2	S432	S432-N434 PolarHBondContact O-N 3.19Å
435	L	43.6	Very low	60.6	Low	118 Å²	118	84.5 Å²	84.5	62%	0.618	53%	0.532	S	S	*	.	S	Bend	trans	-120.2	105.9	-174.6	-164.1	71.2	0	0	0	111.6	S432 L437	S432-L435 PolarHBondContact O-N 3.27Å; S432-L435 VanDerWaalsContact O-O 3.1Å; L435-L437 VanDerWaalsContact C-N 3.27Å; L435-L437 PolarHBondContact O-N 3.16Å
436	C	41.3	Very low	60.6	Low	133 Å²	133	85.8 Å²	85.8	90%	0.899	53%	0.53	S	S	*	.			trans	-68	79.1	177.4	-69.8	0	0	0	0	112.1
437	L	43.3	Very low	60.6	Low	113 Å²	113	87.8 Å²	87.8	59%	0.592	54%	0.538	S	S	*	.			trans	-57.3	139.1	172.9	-75.3	167.8	0	0	0	110.9	L435 T439 G440	L435-L437 VanDerWaalsContact C-N 3.27Å; L435-L437 PolarHBondContact O-N 3.16Å; L437-T439 PolarHBondContact O-N 3.01Å; L437-G440 PolarHBondContact O-N 3.33Å; L437-G440 VanDerWaalsContact O-N 3.07Å
438	A	40	Very low	61.1	Low	109 Å²	109	85.4 Å²	85.4	90%	0.901	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	6.1	-163	0	0	0	0	0	116.4
439	T	43.3	Very low	62.1	Low	144 Å²	144	85.5 Å²	85.5	88%	0.883	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	18.1	174.9	47.9	0	0	0	0	114	L437	L437-T439 PolarHBondContact O-N 3.01Å
440	G	43.2	Very low	63.7	Low	38 Å²	38	86.1 Å²	86.1	39%	0.392	51%	0.513	S	S	.	.			trans	95.2	121.4	142.6	0	0	0	0	0	118.5	L437 R442	L437-G440 PolarHBondContact O-N 3.33Å; L437-G440 VanDerWaalsContact O-N 3.07Å; G440-R442 PolarHBondContact O-N 3.26Å
441	V	48.9	Very low	65.4	Low	145 Å²	145	84.9 Å²	84.9	88%	0.879	50%	0.503	S	S	*	.	S	Bend	trans	52.1	-5.6	145.2	-145.9	0	0	0	0	119.7
442	R	57.1	Low	67.2	Low	207 Å²	207	79.4 Å²	79.4	78%	0.781	47%	0.469	S	S	*	.			trans	-92.7	-24	-171.5	-69.6	179.8	-178.3	-92.2	1.9	114.9	G440 V445 D446	G440-R442 PolarHBondContact O-N 3.26Å; R442-V445 PolarHBondContact O-N 2.84Å; R442-D446 WeakPolarHBondContact O-CB 3.24Å; R442-D446 PolarHBondContact O-N 3.2Å
443	G	66.8	Low	69.4	Low	35 Å²	35	77.7 Å²	77.7	36%	0.361	46%	0.457	S	S	.	.	H	α-helix	trans	-54.2	-58	-174	0	0	0	0	0	113.4	V445 D446 W447	G443-V445 VanDerWaalsContact C-N 3.33Å; G443-V445 PolarHBondContact O-N 3.21Å; G443-D446 PolarHBondContact O-N 2.92Å; G443-W447 WeakPolarHBondContact O-CB 3.48Å; G443-W447 PolarHBondContact O-N 2.82Å
444	G	81.9	Confident	71.6	Confident	35 Å²	35	75.4 Å²	75.4	36%	0.361	44%	0.438	S	S	.	.	H	α-helix	trans	-61.7	-34.5	179.3	0	0	0	0	0	114.3	M448	G444-M448 WeakPolarHBondContact O-CB 3.42Å; G444-M448 VanDerWaalsContact O-CG 3.27Å; G444-M448 WeakPolarHBondContact O-CG 2.83Å; G444-M448 PolarHBondContact O-N 3.32Å
445	V	86.9	Confident	74	Confident	78 Å²	78	68 Å²	68	47%	0.473	40%	0.398	S	S	.	.	H	α-helix	trans	-73.1	-33.7	178.9	-178.8	0	0	0	0	111.8	R442 G443 R449	R442-V445 PolarHBondContact O-N 2.84Å; G443-V445 VanDerWaalsContact C-N 3.33Å; G443-V445 PolarHBondContact O-N 3.21Å; V445-R449 PolarHBondContact O-N 2.77Å
446	D	88.8	Confident	76.6	Confident	63 Å²	63	65.2 Å²	65.2	34%	0.337	38%	0.379	S	S	.	.	H	α-helix	trans	-74.4	-39.2	174.1	-166.7	61.8	0	0	0	111.6	R442 G443 R449 K450	R442-D446 WeakPolarHBondContact O-CB 3.24Å; R442-D446 PolarHBondContact O-N 3.2Å; G443-D446 PolarHBondContact O-N 2.92Å; D446-R449 PolarHBondContact O-N 2.98Å; D446-R449 IonicContact OD1-NH1 3.81Å; D446-K450 WeakPolarHBondContact O-CG 3.26Å; D446-K450 PolarHBondContact O-N 3.26Å; D446-K450 VanDerWaalsContact O-N 3.07Å; D446-K450 WeakPolarHBondContact OD2-CE 3.11Å; D446-K450 IonicContact OD2-NZ 2.62Å; D446-K450 PolarHBondContact OD2-NZ 2.72Å
447	W	92.4	Very high	79.3	Confident	48 Å²	48	62.7 Å²	62.7	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-62	-48.2	173.1	-177.8	80.7	0	0	0	112.4	C399 F426 A429 G443 R449 K450 L451	C399-W447 HydrophobicContact CB-CH2 3.84Å; C399-W447 HydrophobicContact CB-CZ2 3.85Å; F426-W447 AromaticContact CD2-CD1 3.65Å; F426-W447 AromaticContact CD2-NE1 3.65Å; F426-W447 AromaticContact CE1-NE1 3.96Å; F426-W447 AromaticContact CE2-CD1 3.53Å; F426-W447 HydrophobicContact CE2-CD2 4.32Å; F426-W447 AromaticContact CE2-CE2 3.68Å; F426-W447 HydrophobicContact CE2-CG 4.24Å; F426-W447 HydrophobicContact CE2-CZ2 4.26Å; F426-W447 AromaticContact CE2-NE1 3.12Å; F426-W447 AromaticContact CZ-CE2 3.76Å; F426-W447 AromaticContact CZ-CZ2 3.96Å; F426-W447 HydrophobicContact CZ-CZ2 3.96Å; F426-W447 AromaticContact CZ-NE1 3.3Å; F426-W447 VanDerWaalsContact CZ-NE1 3.3Å; A429-W447 HydrophobicContact CB-CB 4.07Å; A429-W447 HydrophobicContact CB-CG 4.43Å; G443-W447 WeakPolarHBondContact O-CB 3.48Å; G443-W447 PolarHBondContact O-N 2.82Å; W447-R449 VanDerWaalsContact C-N 3.26Å; W447-R449 PolarHBondContact O-N 3.13Å; W447-K450 PolarHBondContact O-N 2.65Å; W447-L451 HydrophobicContact CH2-CD2 3.7Å; W447-L451 HydrophobicContact CZ2-CD2 4.31Å; W447-L451 HydrophobicContact CZ3-CD2 3.85Å; W447-L451 PolarHBondContact O-N 3.18Å
448	M	95.2	Very high	82	Confident	54 Å²	54	57.3 Å²	57.3	27%	0.266	32%	0.323	S	S	.	.	H	α-helix	trans	-56.8	-38.2	175.7	-78.7	-61.9	-57.3	0	0	112.5	V407 D410 G444 L451 A452	V407-M448 HydrophobicContact CB-CE 4.34Å; V407-M448 HydrophobicContact CG1-CE 3.97Å; D410-M448 HydrophobicContact CB-CB 4.02Å; G444-M448 WeakPolarHBondContact O-CB 3.42Å; G444-M448 VanDerWaalsContact O-CG 3.27Å; G444-M448 WeakPolarHBondContact O-CG 2.83Å; G444-M448 PolarHBondContact O-N 3.32Å; M448-L451 WeakPolarHBondContact O-CB 3.23Å; M448-L451 PolarHBondContact O-N 3.45Å; M448-L451 HydrophobicContact SD-CD2 4.31Å; M448-A452 WeakPolarHBondContact O-CB 3.23Å; M448-A452 PolarHBondContact O-N 2.96Å
449	R	95.1	Very high	84.8	Confident	71 Å²	71	54.1 Å²	54.1	27%	0.268	29%	0.289	S	S	.	.	H	α-helix	trans	-66.9	-42.1	174.7	-175.6	176.7	-54.8	107.4	13.9	112.4	D410 V445 D446 W447 L451 A452 F453	D410-R449 WeakPolarHBondContact O-CG 3.37Å; V445-R449 PolarHBondContact O-N 2.77Å; D446-R449 PolarHBondContact O-N 2.98Å; D446-R449 IonicContact OD1-NH1 3.81Å; W447-R449 VanDerWaalsContact C-N 3.26Å; W447-R449 PolarHBondContact O-N 3.13Å; R449-L451 VanDerWaalsContact C-N 3.3Å; R449-L451 PolarHBondContact O-N 3.35Å; R449-A452 WeakPolarHBondContact O-CB 3.45Å; R449-A452 PolarHBondContact O-N 2.97Å; R449-F453 VanDerWaalsContact CD-CZ 3.44Å; R449-F453 HydrophobicContact CG-CD1 4.25Å; R449-F453 HydrophobicContact CG-CD2 4.34Å; R449-F453 HydrophobicContact CG-CE1 3.63Å; R449-F453 HydrophobicContact CG-CE2 3.74Å; R449-F453 HydrophobicContact CG-CZ 3.35Å; R449-F453 WeakPolarHBondContact O-CD1 3.5Å; R449-F453 WeakPolarHBondContact O-CG 3.29Å; R449-F453 PolarHBondContact O-N 3.15Å
450	K	96.4	Very high	87.4	Confident	25 Å²	25	49.7 Å²	49.7	11%	0.109	26%	0.258	C	S	.	.	H	α-helix	trans	-67.8	-30	177.2	-71.6	169.1	175	166.5	0	113	D424 F426 D446 W447 R454	D424-K450 HydrophobicContact CB-CD 4.48Å; D424-K450 WeakPolarHBondContact O-CE 3.47Å; D424-K450 PolarHBondContact O-NZ 2.78Å; F426-K450 HydrophobicContact CD2-CB 3.64Å; F426-K450 HydrophobicContact CE2-CB 4.3Å; D446-K450 WeakPolarHBondContact O-CG 3.26Å; D446-K450 PolarHBondContact O-N 3.26Å; D446-K450 VanDerWaalsContact O-N 3.07Å; D446-K450 WeakPolarHBondContact OD2-CE 3.11Å; D446-K450 IonicContact OD2-NZ 2.62Å; D446-K450 PolarHBondContact OD2-NZ 2.72Å; W447-K450 PolarHBondContact O-N 2.65Å; K450-R454 WeakPolarHBondContact O-CG 3.33Å; K450-R454 PolarHBondContact O-N 3.42Å; K450-R454 PolarHBondContact O-NH1 3.48Å; K450-R454 VanDerWaalsContact O-NH1 3.15Å
451	L	97.1	Very high	90	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-66	-48.8	168.8	-177.1	57.6	0	0	0	110.7	L396 C399 V407 F426 W447 M448 R449 F453 R454 Y455	L396-L451 HydrophobicContact CD2-CD1 3.47Å; L396-L451 VanDerWaalsContact CD2-CD1 3.47Å; C399-L451 HydrophobicContact CB-CD1 4.29Å; C399-L451 HydrophobicContact CB-CD2 4.46Å; C399-L451 WeakPolarHBondContact SG-CD1 3.17Å; V407-L451 HydrophobicContact CG1-CD2 3.91Å; V407-L451 HydrophobicContact CG1-CG 4.25Å; V407-L451 HydrophobicContact CG2-CG 4.37Å; F426-L451 HydrophobicContact CE2-CB 4.04Å; F426-L451 HydrophobicContact CE2-CD1 4.48Å; F426-L451 HydrophobicContact CZ-CD1 4.17Å; W447-L451 HydrophobicContact CH2-CD2 3.7Å; W447-L451 HydrophobicContact CZ2-CD2 4.31Å; W447-L451 HydrophobicContact CZ3-CD2 3.85Å; W447-L451 PolarHBondContact O-N 3.18Å; M448-L451 WeakPolarHBondContact O-CB 3.23Å; M448-L451 PolarHBondContact O-N 3.45Å; M448-L451 HydrophobicContact SD-CD2 4.31Å; R449-L451 VanDerWaalsContact C-N 3.3Å; R449-L451 PolarHBondContact O-N 3.35Å; L451-F453 VanDerWaalsContact C-N 3.34Å; L451-F453 PolarHBondContact O-N 2.77Å; L451-R454 PolarHBondContact O-N 2.83Å; L451-R454 VanDerWaalsContact O-N 3.17Å; L451-Y455 HydrophobicContact CD1-CD2 3.89Å; L451-Y455 HydrophobicContact CD1-CE2 3.65Å; L451-Y455 HydrophobicContact CG-CD2 4.2Å; L451-Y455 HydrophobicContact CG-CE2 4.27Å; L451-Y455 PolarHBondContact O-N 2.68Å; L451-Y455 VanDerWaalsContact O-N 3.08Å
452	A	97.9	Very high	92.4	Very high	3 Å²	3	42 Å²	42	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-41.4	176.5	0	0	0	0	0	112.7	V407 D411 M448 R449 R454 Y455 R456	V407-A452 HydrophobicContact CB-CB 4.4Å; V407-A452 HydrophobicContact CG2-CB 4.17Å; V407-A452 VanDerWaalsContact O-CB 3.29Å; V407-A452 WeakPolarHBondContact O-CB 3.21Å; D411-A452 HydrophobicContact CB-CB 3.92Å; M448-A452 WeakPolarHBondContact O-CB 3.23Å; M448-A452 PolarHBondContact O-N 2.96Å; R449-A452 WeakPolarHBondContact O-CB 3.45Å; R449-A452 PolarHBondContact O-N 2.97Å; A452-R454 VanDerWaalsContact C-N 3.34Å; A452-R454 PolarHBondContact O-N 3.33Å; A452-Y455 PolarHBondContact O-N 3.28Å; A452-R456 WeakPolarHBondContact O-CB 3.38Å; A452-R456 PolarHBondContact O-N 3.24Å
453	F	98.1	Very high	94.3	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.018	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-40.6	174.3	-65.6	-19.3	0	0	0	113	D411 N412 Q414 L416 Y419 F421 R449 L451 R457	D411-F453 WeakPolarHBondContact OD1-CE1 3.47Å; N412-F453 VanDerWaalsContact OD1-CE1 3.26Å; N412-F453 WeakPolarHBondContact OD1-CE1 3.47Å; N412-F453 WeakPolarHBondContact OD1-CZ 3.48Å; Q414-F453 HydrophobicContact CG-CE1 3.86Å; Q414-F453 HydrophobicContact CG-CE2 4.46Å; Q414-F453 HydrophobicContact CG-CZ 3.69Å; Q414-F453 VanDerWaalsContact NE2-CZ 3.27Å; L416-F453 HydrophobicContact CD1-CB 4.06Å; L416-F453 HydrophobicContact CD1-CD1 4.47Å; L416-F453 HydrophobicContact CD1-CG 4.49Å; L416-F453 WeakPolarHBondContact CD1-O 3.33Å; L416-F453 HydrophobicContact CD2-CB 4.01Å; L416-F453 HydrophobicContact CD2-CD1 4.03Å; L416-F453 HydrophobicContact CD2-CD2 4.15Å; L416-F453 HydrophobicContact CD2-CG 3.83Å; Y419-F453 HydrophobicContact CE1-CD2 4.1Å; Y419-F453 AromaticContact CE2-CD2 3.99Å; Y419-F453 HydrophobicContact CE2-CD2 3.99Å; Y419-F453 AromaticContact CE2-CE2 3.92Å; Y419-F453 HydrophobicContact CE2-CE2 3.92Å; Y419-F453 AromaticContact CZ-CD2 3.67Å; F421-F453 HydrophobicContact CE1-CB 4.13Å; R449-F453 VanDerWaalsContact CD-CZ 3.44Å; R449-F453 HydrophobicContact CG-CD1 4.25Å; R449-F453 HydrophobicContact CG-CD2 4.34Å; R449-F453 HydrophobicContact CG-CE1 3.63Å; R449-F453 HydrophobicContact CG-CE2 3.74Å; R449-F453 HydrophobicContact CG-CZ 3.35Å; R449-F453 WeakPolarHBondContact O-CD1 3.5Å; R449-F453 WeakPolarHBondContact O-CG 3.29Å; R449-F453 PolarHBondContact O-N 3.15Å; L451-F453 VanDerWaalsContact C-N 3.34Å; L451-F453 PolarHBondContact O-N 2.77Å; F453-R457 VanDerWaalsContact O-CB 3.26Å; F453-R457 WeakPolarHBondContact O-CB 3.38Å; F453-R457 PolarHBondContact O-N 3.13Å
454	R	98.3	Very high	95.8	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-48.3	176.4	-75.7	165.8	172.8	64.1	3.7	110.9	F392 D395 L396 F421 D424 F426 K450 L451 A452 R456 R457 V458	F392-R454 HydrophobicContact CB-CG 4.49Å; F392-R454 HydrophobicContact CD1-CG 4.4Å; F392-R454 HydrophobicContact CD2-CB 4.41Å; F392-R454 HydrophobicContact CD2-CG 4.45Å; F392-R454 HydrophobicContact CG-CG 4.21Å; D395-R454 IonicContact OD2-CZ 3.74Å; D395-R454 IonicContact OD2-NE 2.7Å; D395-R454 PolarHBondContact OD2-NE 2.74Å; D395-R454 IonicContact OD2-NH2 3.61Å; D395-R454 PolarHBondContact OD2-NH2 2.9Å; L396-R454 HydrophobicContact CD1-CB 4.24Å; L396-R454 HydrophobicContact CD2-CB 3.95Å; L396-R454 HydrophobicContact CG-CB 4.44Å; F421-R454 HydrophobicContact CD1-CG 3.96Å; F421-R454 HydrophobicContact CE1-CG 4.18Å; F421-R454 PolarHBondContact O-NH2 2.98Å; F421-R454 VanDerWaalsContact O-NH2 3.16Å; D424-R454 IonicContact OD1-CZ 2.88Å; D424-R454 IonicContact OD1-NH1 3.7Å; D424-R454 IonicContact OD1-NH2 3.25Å; D424-R454 PolarHBondContact OD1-NH2 3.48Å; D424-R454 VanDerWaalsContact OD1-NH2 3.1Å; D424-R454 IonicContact OD2-CZ 3.3Å; D424-R454 IonicContact OD2-NH1 2.69Å; D424-R454 PolarHBondContact OD2-NH1 2.81Å; D424-R454 IonicContact OD2-NH2 2.7Å; D424-R454 PolarHBondContact OD2-NH2 3.28Å; F426-R454 VanDerWaalsContact CB-CZ 3.49Å; K450-R454 WeakPolarHBondContact O-CG 3.33Å; K450-R454 PolarHBondContact O-N 3.42Å; K450-R454 PolarHBondContact O-NH1 3.48Å; K450-R454 VanDerWaalsContact O-NH1 3.15Å; L451-R454 PolarHBondContact O-N 2.83Å; L451-R454 VanDerWaalsContact O-N 3.17Å; A452-R454 VanDerWaalsContact C-N 3.34Å; A452-R454 PolarHBondContact O-N 3.33Å; R454-R456 PolarHBondContact O-N 2.81Å; R454-R457 PolarHBondContact O-N 3.48Å; R454-R457 VanDerWaalsContact O-N 3.13Å; R454-V458 WeakPolarHBondContact O-CG2 3.37Å; R454-V458 PolarHBondContact O-N 3.12Å
455	Y	98.6	Very high	96.6	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-65.2	-39.2	177.8	-83.1	-66.3	0	0	0	113.7	L396 D400 Q401 I404 V407 L451 A452 R457 V458 K459 L522 I523	L396-Y455 HydrophobicContact CD1-CD1 4.4Å; L396-Y455 HydrophobicContact CD1-CE1 4.07Å; L396-Y455 HydrophobicContact CD1-CE2 4.26Å; L396-Y455 HydrophobicContact CD2-CD2 4.24Å; L396-Y455 HydrophobicContact CD2-CE2 3.76Å; D400-Y455 WeakPolarHBondContact CA-OH 3.39Å; Q401-Y455 HydrophobicContact CB-CE1 4.31Å; Q401-Y455 HydrophobicContact CB-CE2 4.15Å; Q401-Y455 HydrophobicContact CG-CD2 4.07Å; Q401-Y455 HydrophobicContact CG-CE1 4.38Å; Q401-Y455 HydrophobicContact CG-CE2 3.35Å; Q401-Y455 PolarHBondContact N-OH 1.82Å; I404-Y455 HydrophobicContact CD1-CD1 3.89Å; I404-Y455 WeakPolarHBondContact CD1-O 3.45Å; V407-Y455 HydrophobicContact CG2-CD2 3.7Å; V407-Y455 HydrophobicContact CG2-CG 4.21Å; L451-Y455 HydrophobicContact CD1-CD2 3.89Å; L451-Y455 HydrophobicContact CD1-CE2 3.65Å; L451-Y455 HydrophobicContact CG-CD2 4.2Å; L451-Y455 HydrophobicContact CG-CE2 4.27Å; L451-Y455 PolarHBondContact O-N 2.68Å; L451-Y455 VanDerWaalsContact O-N 3.08Å; A452-Y455 PolarHBondContact O-N 3.28Å; Y455-R457 VanDerWaalsContact C-N 3.33Å; Y455-R457 PolarHBondContact O-N 2.86Å; Y455-V458 WeakPolarHBondContact O-CB 3.27Å; Y455-V458 PolarHBondContact O-N 2.77Å; Y455-K459 WeakPolarHBondContact O-CB 3.41Å; Y455-K459 PolarHBondContact O-N 3.42Å; Y455-L522 HydrophobicContact CE1-CD2 4.13Å; Y455-I523 HydrophobicContact CD1-CD1 4.26Å; Y455-I523 HydrophobicContact CE1-CD1 3.7Å; Y455-I523 HydrophobicContact CE1-CG1 4.2Å
456	R	98.3	Very high	97.1	Very high	59 Å²	59	39.2 Å²	39.2	22%	0.223	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-38.6	170.4	177.6	162	54.8	97.4	-13.4	111.8	D411 Q414 L416 A452 R454 K459 E460	D411-R456 IonicContact OD1-CZ 3.11Å; D411-R456 IonicContact OD1-NE 3.04Å; D411-R456 IonicContact OD1-NH2 3.28Å; D411-R456 PolarHBondContact OD1-NH2 2.73Å; D411-R456 IonicContact OD2-CZ 3.97Å; D411-R456 IonicContact OD2-NE 2.64Å; D411-R456 PolarHBondContact OD2-NE 3.21Å; D411-R456 IonicContact OD2-NH2 3.52Å; D411-R456 PolarHBondContact OD2-NH2 2.68Å; Q414-R456 VanDerWaalsContact O-CZ 3.32Å; Q414-R456 PolarHBondContact O-NH1 2.88Å; Q414-R456 PolarHBondContact O-NH2 2.89Å; L416-R456 HydrophobicContact CD1-CG 4.5Å; L416-R456 VanDerWaalsContact CD1-CZ 3.49Å; A452-R456 WeakPolarHBondContact O-CB 3.38Å; A452-R456 PolarHBondContact O-N 3.24Å; R454-R456 PolarHBondContact O-N 2.81Å; R456-K459 CarbonylContact O-C 3.57Å; R456-K459 WeakPolarHBondContact O-CA 3.23Å; R456-K459 VanDerWaalsContact O-CB 3.28Å; R456-K459 WeakPolarHBondContact O-CB 3.35Å; R456-K459 PolarHBondContact O-N 3.49Å; R456-K459 VanDerWaalsContact O-N 3.12Å; R456-E460 HydrophobicContact CG-CG 4.42Å; R456-E460 WeakPolarHBondContact CG-OE1 3.44Å; R456-E460 IonicContact NH1-OE1 2.77Å; R456-E460 PolarHBondContact NH1-OE1 3.35Å; R456-E460 WeakPolarHBondContact O-CG 3.48Å; R456-E460 PolarHBondContact O-N 3Å
457	R	98.3	Very high	97.5	Very high	81 Å²	81	42 Å²	42	31%	0.306	20%	0.197	S	C	.	.	H	α-helix	trans	-67.8	-37.5	177.3	-171.9	57.8	-177.7	162.3	4.2	112.5	F392 L416 F421 F453 R454 Y455 K459 E460 I461	F392-R457 HydrophobicContact CE2-CB 3.92Å; F392-R457 HydrophobicContact CE2-CG 3.71Å; F392-R457 HydrophobicContact CZ-CB 4.41Å; F392-R457 HydrophobicContact CZ-CG 3.93Å; L416-R457 HydrophobicContact CD1-CB 4.35Å; F421-R457 HydrophobicContact CE1-CB 4.22Å; F421-R457 HydrophobicContact CE2-CB 4.45Å; F421-R457 HydrophobicContact CE2-CG 4.01Å; F421-R457 HydrophobicContact CZ-CB 3.71Å; F421-R457 HydrophobicContact CZ-CG 3.76Å; F453-R457 VanDerWaalsContact O-CB 3.26Å; F453-R457 WeakPolarHBondContact O-CB 3.38Å; F453-R457 PolarHBondContact O-N 3.13Å; R454-R457 PolarHBondContact O-N 3.48Å; R454-R457 VanDerWaalsContact O-N 3.13Å; Y455-R457 VanDerWaalsContact C-N 3.33Å; Y455-R457 PolarHBondContact O-N 2.86Å; R457-K459 VanDerWaalsContact C-N 3.3Å; R457-K459 PolarHBondContact O-N 3.32Å; R457-E460 WeakPolarHBondContact CD-OE2 3.32Å; R457-E460 IonicContact CZ-OE2 3.98Å; R457-E460 IonicContact NE-OE2 3.35Å; R457-E460 IonicContact NH1-OE2 3.9Å; R457-E460 PolarHBondContact NH1-OE2 2.87Å; R457-E460 PolarHBondContact O-N 3.49Å; R457-I461 HydrophobicContact CG-CD1 4.05Å; R457-I461 WeakPolarHBondContact O-CB 3.49Å; R457-I461 VanDerWaalsContact O-CG1 3.26Å; R457-I461 WeakPolarHBondContact O-CG1 3.27Å; R457-I461 PolarHBondContact O-N 3.05Å
458	V	98.8	Very high	97.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-44.6	167.6	167.4	0	0	0	0	110.4	L391 F392 L396 I404 R454 Y455 I461 Y462 I523 L526	L391-V458 HydrophobicContact CB-CG2 4.11Å; L391-V458 HydrophobicContact CD2-CG1 4.34Å; L391-V458 HydrophobicContact CD2-CG2 4.48Å; L391-V458 WeakPolarHBondContact O-CG2 3.27Å; F392-V458 HydrophobicContact CD2-CG2 4.08Å; L396-V458 HydrophobicContact CD1-CG2 4.36Å; I404-V458 HydrophobicContact CD1-CB 4.34Å; I404-V458 HydrophobicContact CD1-CG1 3.89Å; R454-V458 WeakPolarHBondContact O-CG2 3.37Å; R454-V458 PolarHBondContact O-N 3.12Å; Y455-V458 WeakPolarHBondContact O-CB 3.27Å; Y455-V458 PolarHBondContact O-N 2.77Å; V458-I461 PolarHBondContact O-N 2.84Å; V458-Y462 WeakPolarHBondContact O-CB 3.36Å; V458-Y462 PolarHBondContact O-N 3.5Å; V458-I523 HydrophobicContact CB-CD1 4.46Å; V458-I523 HydrophobicContact CG1-CD1 3.91Å; V458-I523 HydrophobicContact CG2-CD1 3.92Å; V458-L526 HydrophobicContact CG1-CD1 3.61Å
459	K	98.5	Very high	97.8	Very high	41 Å²	41	41.3 Å²	41.3	18%	0.178	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-45	177.3	-161.2	172.5	-179.5	170.6	0	113	I404 D405 Y455 R456 R457 T463 I540 E541	I404-K459 HydrophobicContact CD1-CB 4.3Å; I404-K459 HydrophobicContact CG1-CB 3.89Å; I404-K459 HydrophobicContact CG1-CD 3.98Å; I404-K459 HydrophobicContact CG1-CG 3.98Å; I404-K459 HydrophobicContact CG2-CD 4.32Å; D405-K459 IonicContact OD1-NZ 3.1Å; D405-K459 PolarHBondContact OD1-NZ 3.04Å; D405-K459 IonicContact OD2-NZ 2.67Å; D405-K459 PolarHBondContact OD2-NZ 2.82Å; Y455-K459 WeakPolarHBondContact O-CB 3.41Å; Y455-K459 PolarHBondContact O-N 3.42Å; R456-K459 CarbonylContact O-C 3.57Å; R456-K459 WeakPolarHBondContact O-CA 3.23Å; R456-K459 VanDerWaalsContact O-CB 3.28Å; R456-K459 WeakPolarHBondContact O-CB 3.35Å; R456-K459 PolarHBondContact O-N 3.49Å; R456-K459 VanDerWaalsContact O-N 3.12Å; R457-K459 VanDerWaalsContact C-N 3.3Å; R457-K459 PolarHBondContact O-N 3.32Å; K459-T463 VanDerWaalsContact O-CB 3.23Å; K459-T463 WeakPolarHBondContact O-CB 3.48Å; K459-T463 PolarHBondContact O-N 3.39Å; K459-T463 PolarHBondContact O-OG1 2.97Å; K459-I540 HydrophobicContact CD-CG2 4.44Å; K459-I540 HydrophobicContact CG-CD1 4.47Å; K459-I540 HydrophobicContact CG-CG2 3.76Å; K459-E541 WeakPolarHBondContact CE-OE1 3.34Å; K459-E541 IonicContact NZ-OE1 2.74Å; K459-E541 PolarHBondContact NZ-OE1 2.93Å; K459-E541 VanDerWaalsContact NZ-OE1 3.16Å
460	E	98.1	Very high	97.9	Very high	52 Å²	52	38.2 Å²	38.2	24%	0.243	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-48.7	173.5	-69.8	166	-164.8	0	0	111.8	R456 R457 T463 T464	R456-E460 HydrophobicContact CG-CG 4.42Å; R456-E460 WeakPolarHBondContact CG-OE1 3.44Å; R456-E460 IonicContact NH1-OE1 2.77Å; R456-E460 PolarHBondContact NH1-OE1 3.35Å; R456-E460 WeakPolarHBondContact O-CG 3.48Å; R456-E460 PolarHBondContact O-N 3Å; R457-E460 WeakPolarHBondContact CD-OE2 3.32Å; R457-E460 IonicContact CZ-OE2 3.98Å; R457-E460 IonicContact NE-OE2 3.35Å; R457-E460 IonicContact NH1-OE2 3.9Å; R457-E460 PolarHBondContact NH1-OE2 2.87Å; R457-E460 PolarHBondContact O-N 3.49Å; E460-T463 PolarHBondContact O-N 3.34Å; E460-T464 WeakPolarHBondContact O-CB 3.49Å; E460-T464 PolarHBondContact O-N 2.89Å; E460-T464 PolarHBondContact O-OG1 3.39Å
461	I	98.4	Very high	97.9	Very high	19 Å²	19	38.7 Å²	38.7	10%	0.097	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-52.4	-178.7	-71	168.9	0	0	0	110.8	H390 L391 R457 V458 T463 T464 Y465 L472	H390-I461 VanDerWaalsContact O-CD1 3.24Å; H390-I461 WeakPolarHBondContact O-CD1 3.2Å; L391-I461 HydrophobicContact CD2-CB 4.48Å; L391-I461 HydrophobicContact CD2-CG2 3.92Å; R457-I461 HydrophobicContact CG-CD1 4.05Å; R457-I461 WeakPolarHBondContact O-CB 3.49Å; R457-I461 VanDerWaalsContact O-CG1 3.26Å; R457-I461 WeakPolarHBondContact O-CG1 3.27Å; R457-I461 PolarHBondContact O-N 3.05Å; V458-I461 PolarHBondContact O-N 2.84Å; I461-T463 VanDerWaalsContact C-N 3.31Å; I461-T463 PolarHBondContact O-N 3.25Å; I461-T464 PolarHBondContact O-N 3.07Å; I461-Y465 HydrophobicContact CG2-CD2 4.1Å; I461-Y465 WeakPolarHBondContact O-CD2 3.23Å; I461-Y465 PolarHBondContact O-N 3.36Å; I461-L472 HydrophobicContact CG2-CD1 3.97Å; I461-L472 HydrophobicContact CG2-CD2 4.01Å
462	Y	98.8	Very high	97.9	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-55.7	-47.1	176.8	-179.4	-79.3	0	0	0	111.3	V458 T464 Y465 K466 L526 V529 L530 G535 F538 I540 I543	V458-Y462 WeakPolarHBondContact O-CB 3.36Å; V458-Y462 PolarHBondContact O-N 3.5Å; Y462-T464 VanDerWaalsContact C-N 3.27Å; Y462-T464 PolarHBondContact O-N 3.05Å; Y462-Y465 PolarHBondContact O-N 3.36Å; Y462-K466 HydrophobicContact CD1-CB 4.4Å; Y462-K466 HydrophobicContact CE1-CB 4.25Å; Y462-K466 HydrophobicContact CE1-CD 4.37Å; Y462-K466 VanDerWaalsContact O-CB 3.25Å; Y462-K466 WeakPolarHBondContact O-CB 3.25Å; Y462-K466 PolarHBondContact O-N 3.26Å; Y462-L526 HydrophobicContact CD2-CB 4.34Å; Y462-L526 HydrophobicContact CD2-CD2 3.88Å; Y462-L526 HydrophobicContact CE2-CD2 3.76Å; Y462-V529 HydrophobicContact CE2-CB 4.48Å; Y462-V529 HydrophobicContact CE2-CG1 3.9Å; Y462-V529 WeakPolarHBondContact OH-CG1 3.44Å; Y462-L530 HydrophobicContact CD2-CD1 4.06Å; Y462-L530 HydrophobicContact CD2-CD2 3.72Å; Y462-L530 HydrophobicContact CD2-CG 3.8Å; Y462-L530 HydrophobicContact CE2-CD2 3.94Å; Y462-L530 HydrophobicContact CE2-CG 4.05Å; Y462-L530 HydrophobicContact CG-CD2 4.27Å; Y462-G535 VanDerWaalsContact OH-CA 3.3Å; Y462-G535 WeakPolarHBondContact OH-CA 3.29Å; Y462-F538 PolarHBondContact OH-O 3.09Å; Y462-I540 HydrophobicContact CD1-CB 3.65Å; Y462-I540 HydrophobicContact CD1-CD1 4.07Å; Y462-I540 HydrophobicContact CD1-CG1 4.31Å; Y462-I540 HydrophobicContact CD1-CG2 4.25Å; Y462-I540 HydrophobicContact CD2-CD1 4.22Å; Y462-I540 HydrophobicContact CE1-CB 3.7Å; Y462-I540 HydrophobicContact CG-CB 4.23Å; Y462-I540 HydrophobicContact CG-CD1 3.78Å; Y462-I540 HydrophobicContact CG-CG1 4.41Å; Y462-I543 HydrophobicContact CE2-CD1 4.24Å; Y462-I543 WeakPolarHBondContact OH-CD1 3.26Å
463	T	98.1	Very high	97.9	Very high	66 Å²	66	39.9 Å²	39.9	41%	0.405	21%	0.206	S	C	.	.	H	α-helix	trans	-64.7	-32.6	-177.5	-57.2	0	0	0	0	112.4	K459 E460 I461	K459-T463 VanDerWaalsContact O-CB 3.23Å; K459-T463 WeakPolarHBondContact O-CB 3.48Å; K459-T463 PolarHBondContact O-N 3.39Å; K459-T463 PolarHBondContact O-OG1 2.97Å; E460-T463 PolarHBondContact O-N 3.34Å; I461-T463 VanDerWaalsContact C-N 3.31Å; I461-T463 PolarHBondContact O-N 3.25Å
464	T	98.2	Very high	97.8	Very high	88 Å²	88	40.9 Å²	40.9	54%	0.54	22%	0.217	S	C	.	.	H	α-helix	trans	-76.4	-35.9	177.3	-56.3	0	0	0	0	112.8	E460 I461 Y462	E460-T464 WeakPolarHBondContact O-CB 3.49Å; E460-T464 PolarHBondContact O-N 2.89Å; E460-T464 PolarHBondContact O-OG1 3.39Å; I461-T464 PolarHBondContact O-N 3.07Å; Y462-T464 VanDerWaalsContact C-N 3.27Å; Y462-T464 PolarHBondContact O-N 3.05Å
465	Y	98.4	Very high	97.5	Very high	72 Å²	72	45.4 Å²	45.4	28%	0.282	25%	0.247	S	C	.	.	H	α-helix	trans	-111.5	-2.3	-168.9	-69.5	-78.2	0	0	0	115.5	I461 Y462 N467 N468 V469 L472	I461-Y465 HydrophobicContact CG2-CD2 4.1Å; I461-Y465 WeakPolarHBondContact O-CD2 3.23Å; I461-Y465 PolarHBondContact O-N 3.36Å; Y462-Y465 PolarHBondContact O-N 3.36Å; Y465-N467 PolarHBondContact O-N 3.41Å; Y465-N468 WeakPolarHBondContact CD1-O 3.37Å; Y465-N468 CarbonylContact O-C 3.26Å; Y465-N468 VanDerWaalsContact O-C 3.26Å; Y465-N468 PolarHBondContact O-N 2.89Å; Y465-V469 VanDerWaalsContact O-CG2 3.27Å; Y465-V469 WeakPolarHBondContact O-CG2 3.45Å; Y465-V469 PolarHBondContact O-N 3.27Å; Y465-V469 VanDerWaalsContact O-N 3.11Å; Y465-L472 HydrophobicContact CD1-CB 3.7Å; Y465-L472 HydrophobicContact CD2-CB 4.28Å; Y465-L472 HydrophobicContact CD2-CD1 3.86Å; Y465-L472 HydrophobicContact CD2-CG 4.45Å; Y465-L472 HydrophobicContact CE1-CB 4.15Å; Y465-L472 HydrophobicContact CE2-CD1 3.92Å; Y465-L472 HydrophobicContact CG-CB 3.76Å; Y465-L472 HydrophobicContact CG-CD1 4.22Å; Y465-L472 HydrophobicContact CG-CD2 4.41Å; Y465-L472 HydrophobicContact CG-CG 4.36Å
466	K	97.5	Very high	97.2	Very high	70 Å²	70	49.5 Å²	49.5	30%	0.304	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-22.7	178.1	58.6	178.3	179.5	172.9	0	116	Y462 L530 G535	Y462-K466 HydrophobicContact CD1-CB 4.4Å; Y462-K466 HydrophobicContact CE1-CB 4.25Å; Y462-K466 HydrophobicContact CE1-CD 4.37Å; Y462-K466 VanDerWaalsContact O-CB 3.25Å; Y462-K466 WeakPolarHBondContact O-CB 3.25Å; Y462-K466 PolarHBondContact O-N 3.26Å; K466-L530 HydrophobicContact CB-CD2 4.23Å; K466-G535 WeakPolarHBondContact CD-O 3.35Å
467	N	96.8	Very high	97	Very high	122 Å²	122	50.4 Å²	50.4	65%	0.652	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	5.7	174.5	65.4	-27.1	0	0	0	113.4	Y465 V536	Y465-N467 PolarHBondContact O-N 3.41Å; N467-V536 HydrophobicContact CB-CG2 4.25Å
468	N	96.4	Very high	97	Very high	80 Å²	80	51.9 Å²	51.9	43%	0.428	29%	0.292	S	S	.	.			trans	-148.2	46.3	-175.8	-171.5	20.8	0	0	0	112	Y465 G470 G471 L472	Y465-N468 WeakPolarHBondContact CD1-O 3.37Å; Y465-N468 CarbonylContact O-C 3.26Å; Y465-N468 VanDerWaalsContact O-C 3.26Å; Y465-N468 PolarHBondContact O-N 2.89Å; N468-G470 PolarHBondContact O-N 3.25Å; N468-G471 WeakPolarHBondContact O-CA 3.4Å; N468-G471 PolarHBondContact O-N 3.08Å; N468-G471 PolarHBondContact OD1-N 3.49Å; N468-L472 PolarHBondContact O-N 2.96Å
469	V	97.6	Very high	96.9	Very high	7 Å²	7	57 Å²	57	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-61.1	-32.1	-175.3	-178.9	0	0	0	0	112.4	L386 Y465 G471 L472 L473 W481 L530 L531	L386-V469 HydrophobicContact CD1-CG1 4.28Å; Y465-V469 VanDerWaalsContact O-CG2 3.27Å; Y465-V469 WeakPolarHBondContact O-CG2 3.45Å; Y465-V469 PolarHBondContact O-N 3.27Å; Y465-V469 VanDerWaalsContact O-N 3.11Å; V469-G471 PolarHBondContact O-N 3.46Å; V469-L472 WeakPolarHBondContact O-CB 3.28Å; V469-L472 PolarHBondContact O-N 2.86Å; V469-L473 HydrophobicContact CG1-CD1 4.2Å; V469-L473 HydrophobicContact CG1-CG 4.38Å; V469-L473 PolarHBondContact O-N 3.17Å; V469-W481 HydrophobicContact CB-CH2 3.86Å; V469-W481 HydrophobicContact CB-CZ2 4.14Å; V469-W481 HydrophobicContact CB-CZ3 4.36Å; V469-W481 HydrophobicContact CG1-CH2 4.33Å; V469-W481 HydrophobicContact CG1-CZ2 4.21Å; V469-L530 HydrophobicContact CG1-CB 4.26Å; V469-L530 HydrophobicContact CG2-CB 3.91Å; V469-L530 HydrophobicContact CG2-CD2 4.01Å; V469-L530 WeakPolarHBondContact CG2-O 3.22Å; V469-L531 HydrophobicContact CG1-CD2 4.29Å
470	G	97.1	Very high	96.9	Very high	6 Å²	6	57.6 Å²	57.6	6%	0.062	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-20.9	170.7	0	0	0	0	0	114.7	N468 G474	N468-G470 PolarHBondContact O-N 3.25Å; G470-G474 PolarHBondContact O-N 3.2Å
471	G	97.1	Very high	96.9	Very high	35 Å²	35	56.6 Å²	56.6	36%	0.361	32%	0.322	S	S	.	.	H	α-helix	trans	-82.5	-20.1	170.5	0	0	0	0	0	114.1	N468 V469	N468-G471 WeakPolarHBondContact O-CA 3.4Å; N468-G471 PolarHBondContact O-N 3.08Å; N468-G471 PolarHBondContact OD1-N 3.49Å; V469-G471 PolarHBondContact O-N 3.46Å
472	L	97.4	Very high	96.9	Very high	16 Å²	16	59.8 Å²	59.8	8%	0.084	34%	0.339	C	S	.	.	H	α-helix	trans	-81.1	-47.5	172.1	-177.9	59.2	0	0	0	110.8	L386 H390 I461 Y465 N468 V469 G474 L530	L386-L472 HydrophobicContact CD1-CD2 4.35Å; L386-L472 HydrophobicContact CD2-CD2 4.41Å; L386-L472 HydrophobicContact CG-CD2 4.44Å; H390-L472 HydrophobicContact CB-CD1 4.04Å; H390-L472 HydrophobicContact CB-CD2 4.38Å; H390-L472 HydrophobicContact CB-CG 4.39Å; H390-L472 PolarHBondContact CE1-O 2.89Å; H390-L472 VanDerWaalsContact CE1-O 3.28Å; H390-L472 PolarHBondContact NE2-O 3.49Å; I461-L472 HydrophobicContact CG2-CD1 3.97Å; I461-L472 HydrophobicContact CG2-CD2 4.01Å; Y465-L472 HydrophobicContact CD1-CB 3.7Å; Y465-L472 HydrophobicContact CD2-CB 4.28Å; Y465-L472 HydrophobicContact CD2-CD1 3.86Å; Y465-L472 HydrophobicContact CD2-CG 4.45Å; Y465-L472 HydrophobicContact CE1-CB 4.15Å; Y465-L472 HydrophobicContact CE2-CD1 3.92Å; Y465-L472 HydrophobicContact CG-CB 3.76Å; Y465-L472 HydrophobicContact CG-CD1 4.22Å; Y465-L472 HydrophobicContact CG-CD2 4.41Å; Y465-L472 HydrophobicContact CG-CG 4.36Å; N468-L472 PolarHBondContact O-N 2.96Å; V469-L472 WeakPolarHBondContact O-CB 3.28Å; V469-L472 PolarHBondContact O-N 2.86Å; L472-G474 PolarHBondContact O-N 3.19Å; L472-L530 HydrophobicContact CD2-CD1 4.33Å
473	L	97.1	Very high	96.8	Very high	15 Å²	15	65.2 Å²	65.2	8%	0.079	37%	0.365	C	S	.	.	H	α-helix	trans	-62.9	-27.4	178.3	-73	173.2	0	0	0	113.8	M382 L386 V469 K477 W481 L531	M382-L473 HydrophobicContact CE-CD1 3.99Å; M382-L473 HydrophobicContact CE-CD2 3.81Å; L386-L473 HydrophobicContact CD1-CD2 4.04Å; V469-L473 HydrophobicContact CG1-CD1 4.2Å; V469-L473 HydrophobicContact CG1-CG 4.38Å; V469-L473 PolarHBondContact O-N 3.17Å; L473-K477 HydrophobicContact CB-CB 3.96Å; L473-K477 HydrophobicContact CD2-CB 4.34Å; L473-W481 HydrophobicContact CD1-CB 3.76Å; L473-W481 HydrophobicContact CD1-CD2 3.8Å; L473-W481 HydrophobicContact CD1-CE3 3.97Å; L473-W481 HydrophobicContact CD1-CG 3.72Å; L473-L531 HydrophobicContact CD1-CD2 4.04Å; L473-L531 HydrophobicContact CD2-CD2 4.38Å
474	G	95.4	Very high	96.9	Very high	24 Å²	24	62.3 Å²	62.3	25%	0.247	35%	0.347	C	S	.	.			trans	73.6	166.8	-167.4	0	0	0	0	0	113	G470 L472 K477 R478	G470-G474 PolarHBondContact O-N 3.2Å; L472-G474 PolarHBondContact O-N 3.19Å; G474-K477 PolarHBondContact O-N 2.99Å; G474-R478 WeakPolarHBondContact O-CB 3.44Å; G474-R478 PolarHBondContact O-N 2.82Å
475	P	92.6	Very high	96.9	Very high	97 Å²	97	59.9 Å²	59.9	63%	0.63	33%	0.327	S	S	*	.	H	α-helix	trans	-54.9	-61.9	-168.1	-27.2	35.2	0	0	0	114.3	K477 R478 E479	P475-K477 PolarHBondContact O-N 3.26Å; P475-R478 WeakPolarHBondContact O-CA 3.45Å; P475-R478 VanDerWaalsContact O-CB 3.28Å; P475-R478 WeakPolarHBondContact O-CB 3.38Å; P475-R478 PolarHBondContact O-N 2.71Å; P475-E479 PolarHBondContact O-N 2.94Å; P475-E479 VanDerWaalsContact O-N 3.12Å
476	A	91.2	Very high	96.9	Very high	88 Å²	88	59.3 Å²	59.3	73%	0.727	34%	0.338	S	S	*	.	H	α-helix	trans	-56.1	-31.2	-172.7	0	0	0	0	0	114.6
477	K	95.5	Very high	96.9	Very high	77 Å²	77	58.9 Å²	58.9	34%	0.335	34%	0.337	S	S	.	.	H	α-helix	trans	-85.3	-29.5	174.5	-68.5	-178.8	-175.5	174.7	0	112.9	M382 N385 L473 G474 P475 W481	M382-K477 HydrophobicContact CE-CB 4.41Å; N385-K477 WeakPolarHBondContact OD1-CE 3.49Å; N385-K477 PolarHBondContact OD1-NZ 3.07Å; L473-K477 HydrophobicContact CB-CB 3.96Å; L473-K477 HydrophobicContact CD2-CB 4.34Å; G474-K477 PolarHBondContact O-N 2.99Å; P475-K477 PolarHBondContact O-N 3.26Å; K477-W481 WeakPolarHBondContact O-CB 3.25Å; K477-W481 PolarHBondContact O-N 3.35Å
478	R	97.3	Very high	97	Very high	113 Å²	113	53.2 Å²	53.2	43%	0.426	31%	0.307	S	S	.	.	H	α-helix	trans	-61.3	-45.8	174.3	172.1	-172.1	178.2	163.8	-0	111.7	G474 P475 W481 L482	G474-R478 WeakPolarHBondContact O-CB 3.44Å; G474-R478 PolarHBondContact O-N 2.82Å; P475-R478 WeakPolarHBondContact O-CA 3.45Å; P475-R478 VanDerWaalsContact O-CB 3.28Å; P475-R478 WeakPolarHBondContact O-CB 3.38Å; P475-R478 PolarHBondContact O-N 2.71Å; R478-W481 HydrophobicContact CG-CE3 4.48Å; R478-W481 PolarHBondContact O-N 2.9Å; R478-L482 HydrophobicContact CG-CD1 3.96Å; R478-L482 HydrophobicContact CG-CG 4.49Å; R478-L482 VanDerWaalsContact O-CG 3.31Å; R478-L482 WeakPolarHBondContact O-CG 3.48Å; R478-L482 PolarHBondContact O-N 2.89Å
479	E	97.1	Very high	97.1	Very high	108 Å²	108	50.6 Å²	50.6	51%	0.505	29%	0.292	S	S	.	.	H	α-helix	trans	-63.2	-46.9	179.9	-77.8	77.4	-100.8	0	0	111.1	P475 W481 L482 Q483	P475-E479 PolarHBondContact O-N 2.94Å; P475-E479 VanDerWaalsContact O-N 3.12Å; E479-W481 PolarHBondContact O-N 3.41Å; E479-L482 PolarHBondContact O-N 2.94Å; E479-Q483 PolarHBondContact O-N 3.37Å; E479-Q483 VanDerWaalsContact O-N 3.1Å
480	A	97.8	Very high	97.2	Very high	53 Å²	53	53.5 Å²	53.5	44%	0.438	32%	0.317	S	S	.	.	H	α-helix	trans	-61.4	-41.9	175.4	0	0	0	0	0	112.8	Q483 L484	A480-Q483 PolarHBondContact O-N 3.5Å; A480-L484 VanDerWaalsContact O-CB 3.24Å; A480-L484 WeakPolarHBondContact O-CB 3.49Å; A480-L484 PolarHBondContact O-N 3.28Å
481	W	98.5	Very high	97.2	Very high	31 Å²	31	54 Å²	54	12%	0.117	32%	0.318	C	S	.	.	H	α-helix	trans	-60	-46.5	175.8	169.4	57.7	0	0	0	112.8	M382 V469 L473 K477 R478 E479 L484 R485 L531	M382-W481 HydrophobicContact CE-CB 3.81Å; M382-W481 HydrophobicContact CE-CG 4.46Å; M382-W481 HydrophobicContact SD-CB 3.76Å; M382-W481 HydrophobicContact SD-CG 4.42Å; V469-W481 HydrophobicContact CB-CH2 3.86Å; V469-W481 HydrophobicContact CB-CZ2 4.14Å; V469-W481 HydrophobicContact CB-CZ3 4.36Å; V469-W481 HydrophobicContact CG1-CH2 4.33Å; V469-W481 HydrophobicContact CG1-CZ2 4.21Å; L473-W481 HydrophobicContact CD1-CB 3.76Å; L473-W481 HydrophobicContact CD1-CD2 3.8Å; L473-W481 HydrophobicContact CD1-CE3 3.97Å; L473-W481 HydrophobicContact CD1-CG 3.72Å; K477-W481 WeakPolarHBondContact O-CB 3.25Å; K477-W481 PolarHBondContact O-N 3.35Å; R478-W481 HydrophobicContact CG-CE3 4.48Å; R478-W481 PolarHBondContact O-N 2.9Å; E479-W481 PolarHBondContact O-N 3.41Å; W481-L484 PolarHBondContact O-N 2.94Å; W481-R485 WeakPolarHBondContact O-CB 3.19Å; W481-R485 WeakPolarHBondContact O-CG 3.35Å; W481-R485 PolarHBondContact O-N 3.3Å; W481-L531 HydrophobicContact CG-CD2 4.27Å; W481-L531 WeakPolarHBondContact CZ2-O 3.29Å; W481-L531 PolarHBondContact NE1-O 3.2Å
482	L	98.2	Very high	97.3	Very high	85 Å²	85	52.5 Å²	52.5	45%	0.445	30%	0.302	S	S	.	.	H	α-helix	trans	-66.2	-40.6	-179.8	-71	171.7	0	0	0	111.6	R478 E479 A486	R478-L482 HydrophobicContact CG-CD1 3.96Å; R478-L482 HydrophobicContact CG-CG 4.49Å; R478-L482 VanDerWaalsContact O-CG 3.31Å; R478-L482 WeakPolarHBondContact O-CG 3.48Å; R478-L482 PolarHBondContact O-N 2.89Å; E479-L482 PolarHBondContact O-N 2.94Å; L482-A486 WeakPolarHBondContact O-CB 3.49Å; L482-A486 PolarHBondContact O-N 2.83Å; L482-A486 VanDerWaalsContact O-N 3.09Å
483	Q	98.3	Very high	97.3	Very high	117 Å²	117	55.1 Å²	55.1	55%	0.547	32%	0.316	S	S	.	.	H	α-helix	trans	-62.2	-50.9	172.9	177.2	176.4	-14.1	0	0	111.4	E479 A480 R485 A486 E487	E479-Q483 PolarHBondContact O-N 3.37Å; E479-Q483 VanDerWaalsContact O-N 3.1Å; A480-Q483 PolarHBondContact O-N 3.5Å; Q483-R485 VanDerWaalsContact C-N 3.33Å; Q483-R485 PolarHBondContact O-N 3.12Å; Q483-A486 WeakPolarHBondContact O-CB 3.37Å; Q483-A486 PolarHBondContact O-N 2.77Å; Q483-A486 VanDerWaalsContact O-N 3.11Å; Q483-E487 HydrophobicContact CG-CG 4.45Å; Q483-E487 VanDerWaalsContact CG-OE1 3.26Å; Q483-E487 WeakPolarHBondContact CG-OE1 3.3Å; Q483-E487 PolarHBondContact NE2-OE1 2.83Å; Q483-E487 WeakPolarHBondContact O-CG 3.25Å; Q483-E487 PolarHBondContact O-N 3.02Å
484	L	98.7	Very high	97.4	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-59.1	-42.6	179.8	175.6	64	0	0	0	112.2	L375 R378 M379 M382 A480 W481 A486 E487 I488	L375-L484 HydrophobicContact CD2-CD1 3.69Å; R378-L484 HydrophobicContact CB-CD1 3.68Å; R378-L484 HydrophobicContact CB-CD2 3.95Å; R378-L484 HydrophobicContact CB-CG 4.47Å; M379-L484 HydrophobicContact CB-CD2 4.16Å; M379-L484 HydrophobicContact CE-CD2 3.89Å; M379-L484 HydrophobicContact CE-CG 4.05Å; M379-L484 HydrophobicContact SD-CD2 4.46Å; M382-L484 HydrophobicContact CG-CD2 4.1Å; M382-L484 HydrophobicContact SD-CD2 4.05Å; A480-L484 VanDerWaalsContact O-CB 3.24Å; A480-L484 WeakPolarHBondContact O-CB 3.49Å; A480-L484 PolarHBondContact O-N 3.28Å; W481-L484 PolarHBondContact O-N 2.94Å; L484-A486 VanDerWaalsContact C-N 3.35Å; L484-A486 PolarHBondContact O-N 2.98Å; L484-E487 PolarHBondContact O-N 2.95Å; L484-I488 HydrophobicContact CD1-CD1 4.04Å; L484-I488 HydrophobicContact CD1-CG1 4.43Å; L484-I488 HydrophobicContact CG-CD1 4.08Å; L484-I488 WeakPolarHBondContact O-CG1 3.41Å; L484-I488 PolarHBondContact O-N 3.39Å
485	R	98.5	Very high	97.5	Very high	36 Å²	36	56.3 Å²	56.3	14%	0.136	32%	0.321	C	S	.	.	H	α-helix	trans	-61.7	-41.7	174.9	-82.5	-71.1	-64.2	103.4	8	111.7	M379 W481 Q483 I488 E489 L531	M379-R485 HydrophobicContact CE-CG 4.08Å; W481-R485 WeakPolarHBondContact O-CB 3.19Å; W481-R485 WeakPolarHBondContact O-CG 3.35Å; W481-R485 PolarHBondContact O-N 3.3Å; Q483-R485 VanDerWaalsContact C-N 3.33Å; Q483-R485 PolarHBondContact O-N 3.12Å; R485-I488 PolarHBondContact O-N 3.07Å; R485-E489 IonicContact CZ-OE2 3.16Å; R485-E489 IonicContact NH1-OE2 3.26Å; R485-E489 PolarHBondContact NH1-OE2 2.73Å; R485-E489 IonicContact NH2-OE2 3.42Å; R485-E489 PolarHBondContact NH2-OE2 3.43Å; R485-E489 WeakPolarHBondContact O-CB 3.3Å; R485-E489 PolarHBondContact O-N 2.81Å; R485-L531 WeakPolarHBondContact CD-O 3.34Å
486	A	98.6	Very high	97.8	Very high	61 Å²	61	51.9 Å²	51.9	50%	0.504	29%	0.292	S	S	.	.	H	α-helix	trans	-66.9	-40.6	176.2	0	0	0	0	0	112.7	L482 Q483 L484 E489 A490	L482-A486 WeakPolarHBondContact O-CB 3.49Å; L482-A486 PolarHBondContact O-N 2.83Å; L482-A486 VanDerWaalsContact O-N 3.09Å; Q483-A486 WeakPolarHBondContact O-CB 3.37Å; Q483-A486 PolarHBondContact O-N 2.77Å; Q483-A486 VanDerWaalsContact O-N 3.11Å; L484-A486 VanDerWaalsContact C-N 3.35Å; L484-A486 PolarHBondContact O-N 2.98Å; A486-E489 PolarHBondContact O-N 2.7Å; A486-A490 WeakPolarHBondContact O-CB 3.46Å; A486-A490 PolarHBondContact O-N 3.04Å
487	E	98.6	Very high	98.1	Very high	60 Å²	60	50.8 Å²	50.8	28%	0.28	28%	0.276	S	S	.	.	H	α-helix	trans	-63.1	-41.4	175.2	-70	173.5	-165.2	0	0	111.9	L375 R378 Q483 L484 A490 L491	L375-E487 HydrophobicContact CD1-CB 4.4Å; L375-E487 HydrophobicContact CD2-CB 3.47Å; L375-E487 VanDerWaalsContact CD2-CB 3.47Å; L375-E487 HydrophobicContact CD2-CG 4.46Å; L375-E487 WeakPolarHBondContact CD2-OE2 3.3Å; R378-E487 IonicContact CZ-OE2 2.68Å; R378-E487 VanDerWaalsContact CZ-OE2 3.25Å; R378-E487 IonicContact NH1-OE1 2.73Å; R378-E487 IonicContact NH1-OE2 3.21Å; R378-E487 PolarHBondContact NH1-OE2 3.31Å; R378-E487 IonicContact NH2-OE2 2.68Å; R378-E487 PolarHBondContact NH2-OE2 3.18Å; Q483-E487 HydrophobicContact CG-CG 4.45Å; Q483-E487 VanDerWaalsContact CG-OE1 3.26Å; Q483-E487 WeakPolarHBondContact CG-OE1 3.3Å; Q483-E487 PolarHBondContact NE2-OE1 2.83Å; Q483-E487 WeakPolarHBondContact O-CG 3.25Å; Q483-E487 PolarHBondContact O-N 3.02Å; L484-E487 PolarHBondContact O-N 2.95Å; E487-A490 PolarHBondContact O-N 3.3Å; E487-L491 PolarHBondContact O-N 3.41Å
488	I	98.8	Very high	98.3	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-64.9	-45	173.5	-71	167.7	0	0	0	111.3	L356 L375 M379 L484 R485 A490 L491 T492	L356-I488 HydrophobicContact CD1-CD1 4.39Å; L356-I488 HydrophobicContact CD1-CG1 4.25Å; L356-I488 HydrophobicContact CD1-CG2 4.18Å; L375-I488 HydrophobicContact CB-CG1 3.94Å; L375-I488 HydrophobicContact CD1-CG1 4.42Å; L375-I488 HydrophobicContact CD2-CG1 4.16Å; L375-I488 HydrophobicContact CG-CG1 4.41Å; M379-I488 HydrophobicContact CB-CD1 3.97Å; M379-I488 HydrophobicContact CE-CD1 3.6Å; M379-I488 HydrophobicContact CG-CD1 4.3Å; L484-I488 HydrophobicContact CD1-CD1 4.04Å; L484-I488 HydrophobicContact CD1-CG1 4.43Å; L484-I488 HydrophobicContact CG-CD1 4.08Å; L484-I488 WeakPolarHBondContact O-CG1 3.41Å; L484-I488 PolarHBondContact O-N 3.39Å; R485-I488 PolarHBondContact O-N 3.07Å; I488-A490 VanDerWaalsContact C-N 3.25Å; I488-A490 PolarHBondContact O-N 3.44Å; I488-L491 PolarHBondContact O-N 2.99Å; I488-T492 HydrophobicContact CG2-CG2 4.16Å; I488-T492 WeakPolarHBondContact O-CB 3.48Å; I488-T492 VanDerWaalsContact O-CG2 3.28Å; I488-T492 WeakPolarHBondContact O-CG2 3.47Å; I488-T492 PolarHBondContact O-N 2.89Å; I488-T492 PolarHBondContact O-OG1 3.4Å
489	E	98.4	Very high	98.3	Very high	24 Å²	24	42.5 Å²	42.5	11%	0.112	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-35	179.9	-153.5	74.5	-144.8	0	0	111.6	R485 A486 D493 S494 T497	R485-E489 IonicContact CZ-OE2 3.16Å; R485-E489 IonicContact NH1-OE2 3.26Å; R485-E489 PolarHBondContact NH1-OE2 2.73Å; R485-E489 IonicContact NH2-OE2 3.42Å; R485-E489 PolarHBondContact NH2-OE2 3.43Å; R485-E489 WeakPolarHBondContact O-CB 3.3Å; R485-E489 PolarHBondContact O-N 2.81Å; A486-E489 PolarHBondContact O-N 2.7Å; E489-D493 PolarHBondContact O-N 3.17Å; E489-S494 PolarHBondContact O-N 2.88Å; E489-S494 WeakPolarHBondContact OE1-CA 3.37Å; E489-T497 VanDerWaalsContact CD-OG1 3.31Å; E489-T497 WeakPolarHBondContact OE1-CB 3.33Å; E489-T497 PolarHBondContact OE1-N 3.43Å; E489-T497 PolarHBondContact OE1-OG1 2.74Å
490	A	98.4	Very high	98.4	Very high	69 Å²	69	39.4 Å²	39.4	57%	0.57	23%	0.23	S	C	*	.	H	α-helix	trans	-74.3	-38.5	175.8	0	0	0	0	0	113.4	A486 E487 I488	A486-A490 WeakPolarHBondContact O-CB 3.46Å; A486-A490 PolarHBondContact O-N 3.04Å; E487-A490 PolarHBondContact O-N 3.3Å; I488-A490 VanDerWaalsContact C-N 3.25Å; I488-A490 PolarHBondContact O-N 3.44Å
491	L	98.6	Very high	98.4	Very high	17 Å²	17	42.1 Å²	42.1	9%	0.089	23%	0.232	C	C	.	.	H	α-helix	trans	-71.6	-31.2	175.3	-176.9	138.6	0	0	0	112.3	L356 Y361 R367 T371 L375 E487 I488	L356-L491 HydrophobicContact CD2-CD2 3.85Å; Y361-L491 HydrophobicContact CD1-CD2 3.87Å; Y361-L491 HydrophobicContact CE1-CD2 4.14Å; Y361-L491 WeakPolarHBondContact CE1-O 3.49Å; R367-L491 HydrophobicContact CB-CD1 4.27Å; R367-L491 HydrophobicContact CB-CG 4.28Å; R367-L491 HydrophobicContact CG-CG 4.27Å; T371-L491 HydrophobicContact CG2-CD1 4.18Å; L375-L491 HydrophobicContact CD1-CB 4.06Å; L375-L491 HydrophobicContact CD1-CD1 3.97Å; L375-L491 HydrophobicContact CD1-CG 4.49Å; E487-L491 PolarHBondContact O-N 3.41Å; I488-L491 PolarHBondContact O-N 2.99Å
492	T	98.5	Very high	98.4	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	12.3	-176.4	60.1	0	0	0	0	114.4	V352 L356 Y361 I488 S494 W495 H594	V352-T492 HydrophobicContact CB-CG2 3.74Å; V352-T492 HydrophobicContact CG1-CG2 4.01Å; V352-T492 HydrophobicContact CG2-CG2 3.82Å; L356-T492 HydrophobicContact CD2-CG2 4.16Å; Y361-T492 HydrophobicContact CE1-CG2 4.31Å; Y361-T492 WeakPolarHBondContact OH-CA 3.42Å; Y361-T492 PolarHBondContact OH-O 2.92Å; I488-T492 HydrophobicContact CG2-CG2 4.16Å; I488-T492 WeakPolarHBondContact O-CB 3.48Å; I488-T492 VanDerWaalsContact O-CG2 3.28Å; I488-T492 WeakPolarHBondContact O-CG2 3.47Å; I488-T492 PolarHBondContact O-N 2.89Å; I488-T492 PolarHBondContact O-OG1 3.4Å; T492-S494 PolarHBondContact O-N 2.82Å; T492-W495 WeakPolarHBondContact O-CB 3.44Å; T492-W495 PolarHBondContact O-N 3.4Å; T492-W495 VanDerWaalsContact O-N 3.12Å; T492-H594 PolarHBondContact O-NE2 3.32Å
493	D	97.6	Very high	98.4	Very high	71 Å²	71	36.6 Å²	36.6	38%	0.38	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	40.8	-177.2	-58.6	-59.5	0	0	0	113.3	R367 E489 W495	R367-D493 IonicContact CZ-OD1 3.94Å; R367-D493 VanDerWaalsContact CZ-OD1 3.3Å; R367-D493 IonicContact CZ-OD2 3.56Å; R367-D493 IonicContact NE-OD2 2.77Å; R367-D493 IonicContact NH1-OD1 3.98Å; R367-D493 PolarHBondContact NH1-OD1 3.22Å; R367-D493 IonicContact NH1-OD2 3.1Å; R367-D493 IonicContact NH2-OD1 2.77Å; R367-D493 PolarHBondContact NH2-OD1 2.53Å; R367-D493 IonicContact NH2-OD2 3.43Å; R367-D493 PolarHBondContact NH2-OD2 3.26Å; E489-D493 PolarHBondContact O-N 3.17Å; D493-W495 VanDerWaalsContact C-N 3.35Å; D493-W495 PolarHBondContact O-N 3.44Å
494	S	97.9	Very high	98.4	Very high	57 Å²	57	34.5 Å²	34.5	40%	0.399	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	33.8	-179.3	-49.4	0	0	0	0	114.9	E489 T492 L496 T497 L498	E489-S494 PolarHBondContact O-N 2.88Å; E489-S494 WeakPolarHBondContact OE1-CA 3.37Å; T492-S494 PolarHBondContact O-N 2.82Å; S494-L496 PolarHBondContact O-N 2.59Å; S494-T497 WeakPolarHBondContact O-CB 3.38Å; S494-T497 PolarHBondContact O-N 2.89Å; S494-L498 PolarHBondContact O-N 3.41Å
495	W	98.7	Very high	98.4	Very high	7 Å²	7	36 Å²	36	3%	0.027	21%	0.208	C	C	.	.	H	α-helix	trans	-49.2	-52.6	176.6	-178	-73.1	0	0	0	112.7	E348 T349 V352 Y361 T492 D493 L498 A499 I591 H594 L597	E348-W495 VanDerWaalsContact O-CZ2 3.27Å; E348-W495 WeakPolarHBondContact O-CZ2 2.96Å; T349-W495 PolarHBondContact O-NE1 2.88Å; V352-W495 HydrophobicContact CG2-CB 3.83Å; V352-W495 HydrophobicContact CG2-CD2 3.77Å; V352-W495 HydrophobicContact CG2-CE3 4.3Å; V352-W495 HydrophobicContact CG2-CG 3.52Å; Y361-W495 HydrophobicContact CE2-CE3 4.42Å; T492-W495 WeakPolarHBondContact O-CB 3.44Å; T492-W495 PolarHBondContact O-N 3.4Å; T492-W495 VanDerWaalsContact O-N 3.12Å; D493-W495 VanDerWaalsContact C-N 3.35Å; D493-W495 PolarHBondContact O-N 3.44Å; W495-L498 WeakPolarHBondContact O-CB 3.23Å; W495-L498 PolarHBondContact O-N 2.73Å; W495-A499 PolarHBondContact O-N 2.95Å; W495-I591 HydrophobicContact CH2-CG2 4.08Å; W495-I591 HydrophobicContact CZ2-CG2 3.7Å; W495-H594 AromaticContact CE3-CD2 3.86Å; W495-H594 AromaticContact CE3-CE1 3.6Å; W495-H594 AromaticContact CE3-CG 3.94Å; W495-H594 AromaticContact CE3-ND1 3.8Å; W495-H594 AromaticContact CE3-NE2 3.62Å; W495-H594 AromaticContact CZ3-ND1 3.9Å; W495-L597 HydrophobicContact CD2-CD1 4.02Å; W495-L597 HydrophobicContact CG-CD1 4.29Å; W495-L597 HydrophobicContact CZ2-CD1 3.94Å
496	L	98.6	Very high	98.3	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-67.3	-42.9	-178.4	171.9	61.5	0	0	0	111.2	I350 I351 S494 L498 A499 L500 Y532 L534	I350-L496 HydrophobicContact CG2-CD1 3.81Å; I351-L496 HydrophobicContact CG2-CD1 4.33Å; S494-L496 PolarHBondContact O-N 2.59Å; L496-L498 PolarHBondContact O-N 2.99Å; L496-A499 PolarHBondContact O-N 3.27Å; L496-A499 VanDerWaalsContact O-N 3.16Å; L496-L500 HydrophobicContact CD1-CD1 4.12Å; L496-L500 HydrophobicContact CD1-CG 3.84Å; L496-L500 HydrophobicContact CD2-CD1 4.36Å; L496-L500 HydrophobicContact CG-CD1 3.87Å; L496-L500 HydrophobicContact CG-CG 4.13Å; L496-L500 VanDerWaalsContact O-CB 3.3Å; L496-L500 WeakPolarHBondContact O-CB 3.5Å; L496-L500 WeakPolarHBondContact O-CG 3.48Å; L496-L500 PolarHBondContact O-N 3.19Å; L496-Y532 HydrophobicContact CD2-CD1 3.74Å; L496-Y532 HydrophobicContact CD2-CG 4.39Å; L496-Y532 VanDerWaalsContact CD2-O 3.29Å; L496-Y532 WeakPolarHBondContact CD2-O 3.47Å; L496-L534 HydrophobicContact CD1-CD2 3.95Å
497	T	98.4	Very high	98.2	Very high	64 Å²	64	35.8 Å²	35.8	39%	0.393	20%	0.198	S	C	.	.	H	α-helix	trans	-54.5	-36.4	174.5	-61.3	0	0	0	0	111.3	E489 S494 K501	E489-T497 VanDerWaalsContact CD-OG1 3.31Å; E489-T497 WeakPolarHBondContact OE1-CB 3.33Å; E489-T497 PolarHBondContact OE1-N 3.43Å; E489-T497 PolarHBondContact OE1-OG1 2.74Å; S494-T497 WeakPolarHBondContact O-CB 3.38Å; S494-T497 PolarHBondContact O-N 2.89Å; T497-K501 WeakPolarHBondContact O-CG 3.42Å; T497-K501 PolarHBondContact O-N 2.84Å
498	L	98	Very high	98.1	Very high	16 Å²	16	37.1 Å²	37.1	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-71.6	-47.1	176.2	179.8	63.1	0	0	0	112.5	S494 W495 L496 L500 K501 H594 L597 M598	S494-L498 PolarHBondContact O-N 3.41Å; W495-L498 WeakPolarHBondContact O-CB 3.23Å; W495-L498 PolarHBondContact O-N 2.73Å; L496-L498 PolarHBondContact O-N 2.99Å; L498-L500 VanDerWaalsContact C-N 3.31Å; L498-L500 PolarHBondContact O-N 3.31Å; L498-K501 HydrophobicContact CD1-CD 4.46Å; L498-K501 PolarHBondContact O-N 3.01Å; L498-H594 HydrophobicContact CD2-CB 4.03Å; L498-H594 VanDerWaalsContact CD2-O 3.27Å; L498-H594 WeakPolarHBondContact CD2-O 3.19Å; L498-L597 HydrophobicContact CD2-CB 3.63Å; L498-L597 HydrophobicContact CD2-CD1 4.4Å; L498-L597 HydrophobicContact CG-CB 3.78Å; L498-M598 HydrophobicContact CD1-CG 3.8Å; L498-M598 HydrophobicContact CD2-CE 4.12Å; L498-M598 HydrophobicContact CD2-CG 3.67Å; L498-M598 HydrophobicContact CG-CG 4.36Å
499	A	98.6	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.2	-39.8	174.6	0	0	0	0	0	112.3	I350 W495 L496 K501 A502 L503 L597	I350-A499 HydrophobicContact CG2-CB 4.28Å; W495-A499 PolarHBondContact O-N 2.95Å; L496-A499 PolarHBondContact O-N 3.27Å; L496-A499 VanDerWaalsContact O-N 3.16Å; A499-K501 VanDerWaalsContact C-N 3.25Å; A499-K501 PolarHBondContact O-N 3.09Å; A499-A502 PolarHBondContact O-N 2.94Å; A499-L503 WeakPolarHBondContact O-CG 3.44Å; A499-L503 PolarHBondContact O-N 2.67Å; A499-L597 HydrophobicContact CB-CD1 4.2Å; A499-L597 HydrophobicContact CB-CD2 4.11Å
500	L	98.5	Very high	97.7	Very high	44 Å²	44	43.6 Å²	43.6	23%	0.23	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-32.3	176.8	-86.3	171.7	0	0	0	113.2	L496 L498 T504 L534	L496-L500 HydrophobicContact CD1-CD1 4.12Å; L496-L500 HydrophobicContact CD1-CG 3.84Å; L496-L500 HydrophobicContact CD2-CD1 4.36Å; L496-L500 HydrophobicContact CG-CD1 3.87Å; L496-L500 HydrophobicContact CG-CG 4.13Å; L496-L500 VanDerWaalsContact O-CB 3.3Å; L496-L500 WeakPolarHBondContact O-CB 3.5Å; L496-L500 WeakPolarHBondContact O-CG 3.48Å; L496-L500 PolarHBondContact O-N 3.19Å; L498-L500 VanDerWaalsContact C-N 3.31Å; L498-L500 PolarHBondContact O-N 3.31Å; L500-T504 WeakPolarHBondContact O-CB 3.41Å; L500-T504 PolarHBondContact O-N 2.73Å; L500-T504 PolarHBondContact O-OG1 2.71Å; L500-L534 HydrophobicContact CD2-CD2 3.83Å; L500-L534 HydrophobicContact CG-CD2 4.48Å
501	K	98.1	Very high	97.5	Very high	110 Å²	110	42.4 Å²	42.4	48%	0.478	24%	0.241	S	C	.	.	H	α-helix	trans	-63.8	-48.9	176	-63.2	174.8	-175.2	176.5	0	111.1	T497 L498 A499 T504 L505 H601	T497-K501 WeakPolarHBondContact O-CG 3.42Å; T497-K501 PolarHBondContact O-N 2.84Å; L498-K501 HydrophobicContact CD1-CD 4.46Å; L498-K501 PolarHBondContact O-N 3.01Å; A499-K501 VanDerWaalsContact C-N 3.25Å; A499-K501 PolarHBondContact O-N 3.09Å; K501-T504 PolarHBondContact O-N 3.44Å; K501-L505 WeakPolarHBondContact O-CB 3.34Å; K501-L505 PolarHBondContact O-N 3.15Å; K501-H601 WeakPolarHBondContact CB-CD2 3.29Å; K501-H601 WeakPolarHBondContact CB-NE2 3.37Å
502	A	98.4	Very high	97.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-45.5	178.2	0	0	0	0	0	111.4	W344 A499 T504 L505 I506 L600 L604	W344-A502 HydrophobicContact CH2-CB 4.03Å; W344-A502 HydrophobicContact CZ2-CB 4.45Å; A499-A502 PolarHBondContact O-N 2.94Å; A502-T504 VanDerWaalsContact C-N 3.33Å; A502-T504 PolarHBondContact O-N 2.85Å; A502-L505 PolarHBondContact O-N 3.11Å; A502-I506 WeakPolarHBondContact O-CG1 3.35Å; A502-I506 PolarHBondContact O-N 2.75Å; A502-L600 HydrophobicContact CB-CD2 4.38Å; A502-L600 HydrophobicContact CB-CG 4.3Å; A502-L604 HydrophobicContact CB-CD1 3.78Å
503	L	98.6	Very high	97.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.9	-42.9	174.8	-73.6	164.6	0	0	0	112.7	W344 I350 A499 H507 N514 L534 V537 F538	W344-L503 HydrophobicContact CD2-CD2 3.86Å; W344-L503 HydrophobicContact CE3-CD2 4.46Å; W344-L503 HydrophobicContact CG-CD2 4.26Å; W344-L503 HydrophobicContact CH2-CD2 4.18Å; W344-L503 HydrophobicContact CH2-CG 4.04Å; W344-L503 HydrophobicContact CZ2-CD2 3.54Å; W344-L503 HydrophobicContact CZ2-CG 3.8Å; I350-L503 HydrophobicContact CD1-CD1 4.07Å; I350-L503 HydrophobicContact CD1-CD2 4.23Å; I350-L503 HydrophobicContact CG1-CD1 4.27Å; I350-L503 HydrophobicContact CG2-CD1 3.84Å; A499-L503 WeakPolarHBondContact O-CG 3.44Å; A499-L503 PolarHBondContact O-N 2.67Å; L503-H507 VanDerWaalsContact O-CB 3.27Å; L503-H507 WeakPolarHBondContact O-CB 3.33Å; L503-H507 PolarHBondContact O-N 3.26Å; L503-N514 PolarHBondContact O-ND2 2.77Å; L503-L534 HydrophobicContact CD1-CD2 3.78Å; L503-V537 HydrophobicContact CB-CB 4.42Å; L503-V537 HydrophobicContact CB-CG1 4.46Å; L503-V537 HydrophobicContact CB-CG2 4.14Å; L503-V537 HydrophobicContact CD1-CG2 4.39Å; L503-F538 HydrophobicContact CD1-CE2 4.29Å; L503-F538 HydrophobicContact CD2-CE1 4.43Å; L503-F538 HydrophobicContact CD2-CE2 3.77Å; L503-F538 HydrophobicContact CD2-CZ 3.49Å; L503-F538 VanDerWaalsContact CD2-CZ 3.49Å
504	T	97.9	Very high	97.4	Very high	73 Å²	73	40.4 Å²	40.4	45%	0.448	23%	0.232	S	C	.	.	H	α-helix	trans	-71.5	-38.9	-179.6	-56.1	0	0	0	0	111.6	L500 K501 A502 H507 S508	L500-T504 WeakPolarHBondContact O-CB 3.41Å; L500-T504 PolarHBondContact O-N 2.73Å; L500-T504 PolarHBondContact O-OG1 2.71Å; K501-T504 PolarHBondContact O-N 3.44Å; A502-T504 VanDerWaalsContact C-N 3.33Å; A502-T504 PolarHBondContact O-N 2.85Å; T504-H507 PolarHBondContact O-N 3.36Å; T504-S508 WeakPolarHBondContact O-CB 3.39Å; T504-S508 PolarHBondContact O-N 2.99Å
505	L	97.7	Very high	97.5	Very high	35 Å²	35	37.7 Å²	37.7	18%	0.183	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-43.4	174.9	179.6	56.3	0	0	0	111.3	K501 A502 S508 L604 D605	K501-L505 WeakPolarHBondContact O-CB 3.34Å; K501-L505 PolarHBondContact O-N 3.15Å; A502-L505 PolarHBondContact O-N 3.11Å; L505-S508 PolarHBondContact O-N 3.32Å; L505-S508 PolarHBondContact O-OG 3.38Å; L505-L604 HydrophobicContact CD2-CB 3.65Å; L505-L604 HydrophobicContact CG-CB 4.42Å; L505-D605 WeakPolarHBondContact CD2-OD1 3.17Å
506	I	97.9	Very high	97.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-44.6	171.9	-68.7	159.5	0	0	0	111.1	F342 W344 A502 S508 R509 C512 N514 L604	F342-I506 HydrophobicContact CB-CD1 4.05Å; F342-I506 HydrophobicContact CD1-CD1 3.84Å; F342-I506 HydrophobicContact CD2-CB 4.37Å; F342-I506 HydrophobicContact CD2-CD1 3.85Å; F342-I506 HydrophobicContact CD2-CG1 3.9Å; F342-I506 HydrophobicContact CD2-CG2 3.5Å; F342-I506 VanDerWaalsContact CD2-CG2 3.5Å; F342-I506 HydrophobicContact CE1-CD1 4.23Å; F342-I506 HydrophobicContact CE2-CD1 4.24Å; F342-I506 HydrophobicContact CE2-CG1 3.95Å; F342-I506 HydrophobicContact CE2-CG2 4.02Å; F342-I506 HydrophobicContact CG-CD1 3.62Å; F342-I506 HydrophobicContact CG-CG1 4.2Å; F342-I506 HydrophobicContact CG-CG2 4.21Å; F342-I506 HydrophobicContact CZ-CD1 4.41Å; F342-I506 HydrophobicContact CZ-CG1 4.29Å; W344-I506 HydrophobicContact CZ2-CD1 3.84Å; A502-I506 WeakPolarHBondContact O-CG1 3.35Å; A502-I506 PolarHBondContact O-N 2.75Å; I506-S508 PolarHBondContact O-N 2.94Å; I506-R509 PolarHBondContact O-N 2.95Å; I506-R509 VanDerWaalsContact O-N 3.17Å; I506-C512 HydrophobicContact CG2-CB 3.98Å; I506-N514 WeakPolarHBondContact CG2-OD1 3.4Å; I506-L604 HydrophobicContact CD1-CD1 3.79Å; I506-L604 HydrophobicContact CD1-CD2 4.1Å; I506-L604 HydrophobicContact CG1-CD1 3.99Å; I506-L604 HydrophobicContact CG1-CD2 3.8Å
507	H	97	Very high	97.5	Very high	94 Å²	94	37.2 Å²	37.2	44%	0.435	21%	0.211	S	C	.	.	H	α-helix	trans	-65.4	-22.9	-179.5	-175.5	82.3	0	0	0	113.6	L503 T504 V536 V537	L503-H507 VanDerWaalsContact O-CB 3.27Å; L503-H507 WeakPolarHBondContact O-CB 3.33Å; L503-H507 PolarHBondContact O-N 3.26Å; T504-H507 PolarHBondContact O-N 3.36Å; H507-V536 PolarHBondContact CE1-O 3.37Å; H507-V536 VanDerWaalsContact CE1-O 3.28Å; H507-V537 HydrophobicContact CB-CB 4.39Å; H507-V537 HydrophobicContact CB-CG1 4.03Å
508	S	96.6	Very high	97.5	Very high	87 Å²	87	34.2 Å²	34.2	61%	0.608	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-12	176.8	74.3	0	0	0	0	114.3	T504 L505 I506	T504-S508 WeakPolarHBondContact O-CB 3.39Å; T504-S508 PolarHBondContact O-N 2.99Å; L505-S508 PolarHBondContact O-N 3.32Å; L505-S508 PolarHBondContact O-OG 3.38Å; I506-S508 PolarHBondContact O-N 2.94Å
509	R	94.9	Very high	97.5	Very high	40 Å²	40	36.8 Å²	36.8	15%	0.151	21%	0.209	C	C	.	.			trans	-94.6	120.4	-178.8	-77.7	179.5	169.2	150.8	7.1	111	I506 N511 C512 L604 E607	I506-R509 PolarHBondContact O-N 2.95Å; I506-R509 VanDerWaalsContact O-N 3.17Å; R509-N511 VanDerWaalsContact C-N 3.26Å; R509-N511 PolarHBondContact O-N 2.89Å; R509-C512 HydrophobicContact CB-CB 3.84Å; R509-C512 PolarHBondContact O-N 3.29Å; R509-C512 VanDerWaalsContact O-N 3.16Å; R509-L604 VanDerWaalsContact CZ-O 3.31Å; R509-L604 PolarHBondContact NH1-O 2.94Å; R509-L604 PolarHBondContact NH2-O 3.23Å; R509-E607 IonicContact CZ-OE1 2.81Å; R509-E607 IonicContact NH2-OE1 2.7Å; R509-E607 PolarHBondContact NH2-OE1 2.68Å
510	S	92.6	Very high	97.5	Very high	125 Å²	125	37.9 Å²	37.9	87%	0.874	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.2	-178.3	53.8	0	0	0	0	114.5	C512	S510-C512 VanDerWaalsContact C-N 3.34Å
511	N	94.5	Very high	97.5	Very high	44 Å²	44	38.1 Å²	38.1	24%	0.235	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	4.3	175.3	59.9	-33.4	0	0	0	113.6	D337 E339 R340 R509	D337-N511 VanDerWaalsContact O-CA 3.29Å; D337-N511 WeakPolarHBondContact O-CA 3.33Å; D337-N511 VanDerWaalsContact O-CB 3.24Å; D337-N511 WeakPolarHBondContact O-CB 3.29Å; E339-N511 HydrophobicContact CB-CB 4.3Å; E339-N511 HydrophobicContact CG-CB 4.16Å; E339-N511 PolarHBondContact N-O 2.8Å; E339-N511 PolarHBondContact OE2-ND2 2.9Å; R340-N511 PolarHBondContact N-O 3.21Å; R509-N511 VanDerWaalsContact C-N 3.26Å; R509-N511 PolarHBondContact O-N 2.89Å
512	C	96.8	Very high	97.5	Very high	11 Å²	11	32.9 Å²	32.9	7%	0.074	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	148.7	-175.6	-60.5	0	0	0	0	112.8	R340 F342 I506 R509 S510	R340-C512 CarbonylContact O-C 3.52Å; R340-C512 VanDerWaalsContact O-CA 3.3Å; R340-C512 WeakPolarHBondContact O-CA 3.35Å; F342-C512 HydrophobicContact CD2-CB 4.44Å; F342-C512 HydrophobicContact CE2-CB 4.04Å; I506-C512 HydrophobicContact CG2-CB 3.98Å; R509-C512 HydrophobicContact CB-CB 3.84Å; R509-C512 PolarHBondContact O-N 3.29Å; R509-C512 VanDerWaalsContact O-N 3.16Å; S510-C512 VanDerWaalsContact C-N 3.34Å
513	V	97.8	Very high	97.5	Very high	34 Å²	34	33 Å²	33	21%	0.206	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	133.1	175.9	169.2	0	0	0	0	111.6	L338 R340 V341 F342 I515 N542 F562	L338-V513 HydrophobicContact CD1-CB 4.15Å; L338-V513 HydrophobicContact CD1-CG2 3.64Å; R340-V513 PolarHBondContact O-N 3.37Å; V341-V513 WeakPolarHBondContact CA-O 3.14Å; V341-V513 HydrophobicContact CG2-CB 4.2Å; F342-V513 PolarHBondContact N-O 2.66Å; V513-I515 HydrophobicContact CG1-CD1 3.76Å; V513-I515 HydrophobicContact CG1-CG1 4.18Å; V513-N542 VanDerWaalsContact CG1-ND2 3.29Å; V513-N542 WeakPolarHBondContact CG1-ND2 3.36Å; V513-F562 HydrophobicContact CG1-CE1 4.45Å; V513-F562 HydrophobicContact CG1-CZ 4.25Å
514	N	98.6	Very high	97.5	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	132.6	165.7	-72.5	-47.1	0	0	0	111.1	W344 L503 I506 F538 N542	W344-N514 PolarHBondContact NE1-OD1 3.1Å; L503-N514 PolarHBondContact O-ND2 2.77Å; I506-N514 WeakPolarHBondContact CG2-OD1 3.4Å; N514-F538 HydrophobicContact CB-CD1 3.99Å; N514-F538 HydrophobicContact CB-CE1 3.7Å; N514-F538 HydrophobicContact CB-CZ 4.38Å; N514-N542 PolarHBondContact O-ND2 2.98Å
515	I	98.8	Very high	97.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140	171.5	-57.1	-62.6	0	0	0	108.5	V341 F342 I343 W344 V513 V517 N542 Y544 V558 F562	V341-I515 HydrophobicContact CG1-CB 4.48Å; V341-I515 HydrophobicContact CG1-CG1 3.62Å; F342-I515 PolarHBondContact O-N 2.93Å; I343-I515 HydrophobicContact CG2-CG2 4.38Å; W344-I515 PolarHBondContact N-O 2.99Å; V513-I515 HydrophobicContact CG1-CD1 3.76Å; V513-I515 HydrophobicContact CG1-CG1 4.18Å; I515-V517 HydrophobicContact CG2-CG2 4.07Å; I515-N542 WeakPolarHBondContact CA-O 3.28Å; I515-N542 HydrophobicContact CD1-CB 3.73Å; I515-Y544 HydrophobicContact CG2-CD2 3.81Å; I515-Y544 HydrophobicContact CG2-CE2 3.82Å; I515-V558 HydrophobicContact CG1-CG1 4.34Å; I515-V558 HydrophobicContact CG2-CG1 4.46Å; I515-V558 HydrophobicContact CG2-CG2 3.85Å; I515-F562 HydrophobicContact CD1-CE2 3.48Å; I515-F562 VanDerWaalsContact CD1-CE2 3.48Å; I515-F562 HydrophobicContact CD1-CZ 3.65Å; I515-F562 HydrophobicContact CG1-CE2 4.14Å
516	L	98.9	Very high	97.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.7	175.5	-167.4	67.9	0	0	0	110	W344 L346 I350 V529 F538 N542 I543 Y544	W344-L516 HydrophobicContact CB-CD1 4.12Å; L346-L516 HydrophobicContact CB-CD1 3.99Å; L346-L516 HydrophobicContact CB-CD2 4.35Å; L346-L516 HydrophobicContact CB-CG 4.43Å; L346-L516 HydrophobicContact CD1-CD1 4.47Å; L346-L516 HydrophobicContact CD1-CD2 4.24Å; L346-L516 HydrophobicContact CD2-CD2 4.39Å; I350-L516 HydrophobicContact CD1-CD1 3.86Å; L516-V529 HydrophobicContact CD2-CG2 3.47Å; L516-V529 VanDerWaalsContact CD2-CG2 3.47Å; L516-F538 HydrophobicContact CB-CD1 3.8Å; L516-F538 HydrophobicContact CB-CE1 3.71Å; L516-F538 HydrophobicContact CB-CG 4.38Å; L516-F538 HydrophobicContact CB-CZ 4.22Å; L516-F538 HydrophobicContact CD1-CE1 4.25Å; L516-F538 HydrophobicContact CD1-CE2 4.33Å; L516-F538 HydrophobicContact CD1-CZ 3.92Å; L516-N542 PolarHBondContact N-O 3.34Å; L516-I543 HydrophobicContact CB-CG1 4.17Å; L516-I543 HydrophobicContact CD2-CG1 4.33Å; L516-I543 HydrophobicContact CD2-CG2 4.31Å; L516-Y544 PolarHBondContact O-N 3.42Å
517	V	98.9	Very high	97.7	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	100.5	176.3	-171	0	0	0	0	109.4	I343 W344 I515 Y544 A546 K551 C554 F555	I343-V517 HydrophobicContact CG2-CB 4.2Å; I343-V517 HydrophobicContact CG2-CG2 3.46Å; I343-V517 VanDerWaalsContact CG2-CG2 3.46Å; W344-V517 PolarHBondContact O-N 3.4Å; I515-V517 HydrophobicContact CG2-CG2 4.07Å; V517-Y544 WeakPolarHBondContact CA-O 3.31Å; V517-Y544 HydrophobicContact CG2-CD2 4.44Å; V517-A546 HydrophobicContact CG1-CB 4.31Å; V517-K551 HydrophobicContact CB-CD 4.41Å; V517-K551 HydrophobicContact CG1-CD 3.81Å; V517-K551 WeakPolarHBondContact O-CD 3.48Å; V517-K551 WeakPolarHBondContact O-CE 3.1Å; V517-C554 HydrophobicContact CG1-CB 3.39Å; V517-C554 HydrophobicContact CG2-CB 4.44Å; V517-F555 HydrophobicContact CB-CE1 4.23Å; V517-F555 HydrophobicContact CG1-CE1 4.26Å; V517-F555 HydrophobicContact CG2-CD1 4.39Å; V517-F555 HydrophobicContact CG2-CE1 4.25Å
518	T	98.6	Very high	97.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	151.8	-175	177.2	0	0	0	0	112.3	D345 L346 T520 A525 Y544 A546	D345-T518 WeakPolarHBondContact OD1-CA 3.42Å; L346-T518 HydrophobicContact CB-CG2 4.45Å; L346-T518 HydrophobicContact CD2-CG2 4.3Å; T518-T520 PolarHBondContact O-N 2.98Å; T518-T520 PolarHBondContact OG1-N 2.98Å; T518-T520 PolarHBondContact OG1-OG1 2.89Å; T518-A525 HydrophobicContact CG2-CB 3.73Å; T518-Y544 PolarHBondContact N-O 2.79Å; T518-A546 WeakPolarHBondContact O-CB 3.5Å; T518-A546 PolarHBondContact O-N 3.44Å
519	T	97.6	Very high	97.9	Very high	70 Å²	70	20.3 Å²	20.3	43%	0.429	12%	0.119	S	C	.	.	S	Bend	trans	-74.7	-7.3	170.9	52.3	0	0	0	0	113.8	T547	T519-T547 PolarHBondContact O-OG1 3.35Å
520	T	98	Very high	98	Very high	24 Å²	24	18.4 Å²	18.4	15%	0.147	11%	0.112	C	C	.	.	S	Bend	trans	-70.3	140.8	172.1	-55.7	0	0	0	0	111	D347 T518 P524 A525 K528 S545 T547	D347-T520 PolarHBondContact OD2-OG1 3.4Å; T518-T520 PolarHBondContact O-N 2.98Å; T518-T520 PolarHBondContact OG1-N 2.98Å; T518-T520 PolarHBondContact OG1-OG1 2.89Å; T520-P524 HydrophobicContact CG2-CB 3.92Å; T520-A525 HydrophobicContact CG2-CB 4.07Å; T520-K528 HydrophobicContact CG2-CD 4.36Å; T520-K528 PolarHBondContact OG1-NZ 2.89Å; T520-S545 WeakPolarHBondContact O-CB 3.44Å; T520-S545 PolarHBondContact O-OG 3.1Å; T520-T547 PolarHBondContact O-OG1 3.06Å
521	Q	98.4	Very high	98.3	Very high	48 Å²	48	12.4 Å²	12.4	22%	0.224	7%	0.07	C	C	.	.			trans	-52.3	150.1	170.7	-72.4	-172.2	41.8	0	0	111	I523 P524 A525 T547	Q521-I523 PolarHBondContact O-N 2.99Å; Q521-P524 HydrophobicContact CB-CG 4.33Å; Q521-P524 WeakPolarHBondContact O-CD 3.26Å; Q521-A525 VanDerWaalsContact O-CB 3.23Å; Q521-A525 WeakPolarHBondContact O-CB 3.46Å; Q521-A525 PolarHBondContact O-N 3.31Å; Q521-T547 WeakPolarHBondContact CA-OG1 3.48Å; Q521-T547 HydrophobicContact CG-CG2 4.13Å; Q521-T547 PolarHBondContact N-OG1 3.4Å; Q521-T547 VanDerWaalsContact N-OG1 3.13Å
522	L	98.8	Very high	98.5	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-62.1	-41.7	-168.6	-179	61.2	0	0	0	112.7	D400 Q401 Y455 A525 L526 I543	D400-L522 WeakPolarHBondContact OD1-CB 3.24Å; D400-L522 PolarHBondContact OD1-N 3.12Å; Q401-L522 VanDerWaalsContact O-CB 3.23Å; Q401-L522 WeakPolarHBondContact O-CB 3.27Å; Q401-L522 WeakPolarHBondContact O-CD2 3.26Å; Y455-L522 HydrophobicContact CE1-CD2 4.13Å; L522-A525 PolarHBondContact O-N 3.09Å; L522-L526 HydrophobicContact CD1-CD1 4.25Å; L522-L526 HydrophobicContact CD1-CG 4.19Å; L522-L526 HydrophobicContact CG-CD1 4.13Å; L522-L526 HydrophobicContact CG-CG 4.48Å; L522-L526 VanDerWaalsContact O-CG 3.25Å; L522-L526 WeakPolarHBondContact O-CG 3.5Å; L522-L526 PolarHBondContact O-N 2.89Å; L522-I543 HydrophobicContact CD1-CG2 3.97Å
523	I	98.8	Very high	98.6	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-68.1	-49.9	-176.6	-61.1	-58.7	0	0	0	112.6	A387 L391 F393 L396 Y455 V458 Q521 A525 L526 A527	A387-I523 HydrophobicContact CB-CG2 4.15Å; L391-I523 HydrophobicContact CB-CG2 3.66Å; L391-I523 HydrophobicContact CD1-CG2 4.45Å; F393-I523 HydrophobicContact CB-CG2 3.81Å; F393-I523 HydrophobicContact CD2-CB 4.02Å; F393-I523 HydrophobicContact CD2-CG2 3.97Å; F393-I523 HydrophobicContact CG-CG2 4.27Å; L396-I523 HydrophobicContact CB-CG1 4.11Å; L396-I523 HydrophobicContact CD1-CD1 3.71Å; L396-I523 HydrophobicContact CD1-CG1 3.79Å; Y455-I523 HydrophobicContact CD1-CD1 4.26Å; Y455-I523 HydrophobicContact CE1-CD1 3.7Å; Y455-I523 HydrophobicContact CE1-CG1 4.2Å; V458-I523 HydrophobicContact CB-CD1 4.46Å; V458-I523 HydrophobicContact CG1-CD1 3.91Å; V458-I523 HydrophobicContact CG2-CD1 3.92Å; Q521-I523 PolarHBondContact O-N 2.99Å; I523-A525 VanDerWaalsContact C-N 3.31Å; I523-A525 PolarHBondContact O-N 3.27Å; I523-L526 HydrophobicContact CD1-CD1 4.4Å; I523-L526 PolarHBondContact O-N 3.21Å; I523-A527 PolarHBondContact O-N 3.42Å; I523-A527 VanDerWaalsContact O-N 3.09Å
524	P	98.7	Very high	98.6	Very high	8 Å²	8	10.1 Å²	10.1	5%	0.052	6%	0.064	C	C	.	.	H	α-helix	trans	-62.9	-31.6	170.5	-24.6	35.1	0	0	0	114	I383 F384 F393 T520 Q521 A527 K528	I383-P524 HydrophobicContact CG2-CB 4.36Å; F384-P524 HydrophobicContact CE1-CG 4.32Å; F393-P524 HydrophobicContact CD2-CG 3.95Å; F393-P524 HydrophobicContact CE1-CG 4.43Å; F393-P524 HydrophobicContact CE2-CG 3.56Å; F393-P524 HydrophobicContact CZ-CG 3.84Å; T520-P524 HydrophobicContact CG2-CB 3.92Å; Q521-P524 HydrophobicContact CB-CG 4.33Å; Q521-P524 WeakPolarHBondContact O-CD 3.26Å; P524-A527 PolarHBondContact O-N 2.7Å; P524-K528 WeakPolarHBondContact O-CG 3.44Å; P524-K528 PolarHBondContact O-N 3.22Å
525	A	98.8	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.3	-42.5	173.9	0	0	0	0	0	111.9	T518 T520 Q521 L522 I523 A527 K528 V529	T518-A525 HydrophobicContact CG2-CB 3.73Å; T520-A525 HydrophobicContact CG2-CB 4.07Å; Q521-A525 VanDerWaalsContact O-CB 3.23Å; Q521-A525 WeakPolarHBondContact O-CB 3.46Å; Q521-A525 PolarHBondContact O-N 3.31Å; L522-A525 PolarHBondContact O-N 3.09Å; I523-A525 VanDerWaalsContact C-N 3.31Å; I523-A525 PolarHBondContact O-N 3.27Å; A525-A527 VanDerWaalsContact C-N 3.34Å; A525-A527 PolarHBondContact O-N 2.91Å; A525-K528 WeakPolarHBondContact O-CB 3.27Å; A525-K528 PolarHBondContact O-N 2.69Å; A525-V529 WeakPolarHBondContact O-CB 3.38Å; A525-V529 VanDerWaalsContact O-CG2 3.3Å; A525-V529 WeakPolarHBondContact O-CG2 3.38Å; A525-V529 PolarHBondContact O-N 3.08Å
526	L	98.9	Very high	98.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.4	-37.9	173.9	-66.8	171.3	0	0	0	111.8	L391 I404 V458 Y462 L522 I523 V529 L530 I540 I543	L391-L526 HydrophobicContact CD1-CB 4.28Å; I404-L526 HydrophobicContact CD1-CD1 4.34Å; V458-L526 HydrophobicContact CG1-CD1 3.61Å; Y462-L526 HydrophobicContact CD2-CB 4.34Å; Y462-L526 HydrophobicContact CD2-CD2 3.88Å; Y462-L526 HydrophobicContact CE2-CD2 3.76Å; L522-L526 HydrophobicContact CD1-CD1 4.25Å; L522-L526 HydrophobicContact CD1-CG 4.19Å; L522-L526 HydrophobicContact CG-CD1 4.13Å; L522-L526 HydrophobicContact CG-CG 4.48Å; L522-L526 VanDerWaalsContact O-CG 3.25Å; L522-L526 WeakPolarHBondContact O-CG 3.5Å; L522-L526 PolarHBondContact O-N 2.89Å; I523-L526 HydrophobicContact CD1-CD1 4.4Å; I523-L526 PolarHBondContact O-N 3.21Å; L526-V529 PolarHBondContact O-N 3.47Å; L526-L530 WeakPolarHBondContact O-CG 3.42Å; L526-L530 PolarHBondContact O-N 2.7Å; L526-I540 HydrophobicContact CD1-CD1 3.78Å; L526-I540 HydrophobicContact CD1-CG1 4.42Å; L526-I540 HydrophobicContact CD2-CD1 3.75Å; L526-I540 HydrophobicContact CD2-CG1 3.71Å; L526-I540 HydrophobicContact CG-CD1 4.43Å; L526-I543 HydrophobicContact CD2-CB 4.42Å; L526-I543 HydrophobicContact CD2-CD1 3.63Å; L526-I543 HydrophobicContact CD2-CG2 4.24Å
527	A	98.9	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.2	-45.3	173.9	0	0	0	0	0	112.5	I383 L386 A387 L391 I523 P524 A525 L530 L531	I383-A527 HydrophobicContact CG2-CB 4.1Å; L386-A527 HydrophobicContact CD2-CB 3.87Å; A387-A527 HydrophobicContact CB-CB 4.15Å; L391-A527 HydrophobicContact CD1-CB 4.25Å; I523-A527 PolarHBondContact O-N 3.42Å; I523-A527 VanDerWaalsContact O-N 3.09Å; P524-A527 PolarHBondContact O-N 2.7Å; A525-A527 VanDerWaalsContact C-N 3.34Å; A525-A527 PolarHBondContact O-N 2.91Å; A527-L530 PolarHBondContact O-N 3.15Å; A527-L531 WeakPolarHBondContact O-CB 3.17Å; A527-L531 WeakPolarHBondContact O-CG 3.2Å; A527-L531 PolarHBondContact O-N 3.25Å
528	K	98.8	Very high	98.5	Very high	15 Å²	15	13.8 Å²	13.8	7%	0.065	9%	0.087	C	C	.	.	H	α-helix	trans	-55.3	-51.2	171	-74.5	174.9	177.4	-176.8	0	111.4	L346 D347 I351 I383 T520 P524 A525 L530 L531 Y532	L346-K528 HydrophobicContact CD2-CB 3.92Å; L346-K528 HydrophobicContact CD2-CD 3.67Å; L346-K528 HydrophobicContact CD2-CG 4.46Å; D347-K528 IonicContact OD1-NZ 2.82Å; D347-K528 PolarHBondContact OD1-NZ 3.07Å; D347-K528 IonicContact OD2-NZ 3.9Å; D347-K528 PolarHBondContact OD2-NZ 3.14Å; I351-K528 HydrophobicContact CD1-CB 4.37Å; I351-K528 HydrophobicContact CD1-CD 4.14Å; I351-K528 HydrophobicContact CD1-CG 4.4Å; I383-K528 HydrophobicContact CD1-CG 3.65Å; I383-K528 HydrophobicContact CG1-CG 4.04Å; I383-K528 HydrophobicContact CG2-CG 4.17Å; T520-K528 HydrophobicContact CG2-CD 4.36Å; T520-K528 PolarHBondContact OG1-NZ 2.89Å; P524-K528 WeakPolarHBondContact O-CG 3.44Å; P524-K528 PolarHBondContact O-N 3.22Å; A525-K528 WeakPolarHBondContact O-CB 3.27Å; A525-K528 PolarHBondContact O-N 2.69Å; K528-L530 VanDerWaalsContact C-N 3.29Å; K528-L530 PolarHBondContact O-N 2.69Å; K528-L531 PolarHBondContact O-N 3.26Å; K528-Y532 WeakPolarHBondContact O-CB 3.36Å; K528-Y532 WeakPolarHBondContact O-CD2 3.46Å; K528-Y532 PolarHBondContact O-N 3.05Å
529	V	98.9	Very high	98.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.5	-35.4	-177.7	167.6	0	0	0	0	112.3	L346 Y462 L516 A525 L526 G533 L534 G535 I543	L346-V529 HydrophobicContact CD1-CG2 4.32Å; L346-V529 HydrophobicContact CD2-CG2 4.42Å; Y462-V529 HydrophobicContact CE2-CB 4.48Å; Y462-V529 HydrophobicContact CE2-CG1 3.9Å; Y462-V529 WeakPolarHBondContact OH-CG1 3.44Å; L516-V529 HydrophobicContact CD2-CG2 3.47Å; L516-V529 VanDerWaalsContact CD2-CG2 3.47Å; A525-V529 WeakPolarHBondContact O-CB 3.38Å; A525-V529 VanDerWaalsContact O-CG2 3.3Å; A525-V529 WeakPolarHBondContact O-CG2 3.38Å; A525-V529 PolarHBondContact O-N 3.08Å; L526-V529 PolarHBondContact O-N 3.47Å; V529-G533 PolarHBondContact O-N 2.9Å; V529-L534 HydrophobicContact CB-CB 4.42Å; V529-L534 HydrophobicContact CG1-CB 3.88Å; V529-L534 WeakPolarHBondContact O-CB 3.37Å; V529-L534 PolarHBondContact O-N 3.48Å; V529-G535 PolarHBondContact O-N 3Å; V529-I543 HydrophobicContact CB-CD1 4.44Å; V529-I543 HydrophobicContact CG1-CD1 3.97Å; V529-I543 HydrophobicContact CG2-CD1 4.26Å
530	L	98.8	Very high	98.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-68.5	-55.1	170.9	-68.5	172.8	0	0	0	111.4	L386 Y462 K466 V469 L472 L526 A527 K528 Y532 G533	L386-L530 HydrophobicContact CD2-CD1 4.22Å; Y462-L530 HydrophobicContact CD2-CD1 4.06Å; Y462-L530 HydrophobicContact CD2-CD2 3.72Å; Y462-L530 HydrophobicContact CD2-CG 3.8Å; Y462-L530 HydrophobicContact CE2-CD2 3.94Å; Y462-L530 HydrophobicContact CE2-CG 4.05Å; Y462-L530 HydrophobicContact CG-CD2 4.27Å; K466-L530 HydrophobicContact CB-CD2 4.23Å; V469-L530 HydrophobicContact CG1-CB 4.26Å; V469-L530 HydrophobicContact CG2-CB 3.91Å; V469-L530 HydrophobicContact CG2-CD2 4.01Å; V469-L530 WeakPolarHBondContact CG2-O 3.22Å; L472-L530 HydrophobicContact CD2-CD1 4.33Å; L526-L530 WeakPolarHBondContact O-CG 3.42Å; L526-L530 PolarHBondContact O-N 2.7Å; A527-L530 PolarHBondContact O-N 3.15Å; K528-L530 VanDerWaalsContact C-N 3.29Å; K528-L530 PolarHBondContact O-N 2.69Å; L530-Y532 VanDerWaalsContact C-N 3.31Å; L530-Y532 PolarHBondContact O-N 3.41Å; L530-G533 PolarHBondContact O-N 3.34Å
531	L	98.8	Very high	98.5	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.6	-29.1	-173.4	-69.7	166.6	0	0	0	114	M379 M382 I383 L386 V469 L473 W481 R485 A527 K528 G533	M379-L531 HydrophobicContact SD-CB 4.27Å; M379-L531 HydrophobicContact SD-CD1 4.46Å; M382-L531 HydrophobicContact CB-CD1 4.1Å; M382-L531 HydrophobicContact CE-CD2 4.41Å; I383-L531 HydrophobicContact CB-CD1 4.26Å; I383-L531 HydrophobicContact CG1-CD1 3.69Å; L386-L531 HydrophobicContact CB-CD1 4.48Å; L386-L531 HydrophobicContact CD1-CD1 4.33Å; L386-L531 HydrophobicContact CD1-CD2 3.85Å; L386-L531 HydrophobicContact CD1-CG 3.93Å; V469-L531 HydrophobicContact CG1-CD2 4.29Å; L473-L531 HydrophobicContact CD1-CD2 4.04Å; L473-L531 HydrophobicContact CD2-CD2 4.38Å; W481-L531 HydrophobicContact CG-CD2 4.27Å; W481-L531 WeakPolarHBondContact CZ2-O 3.29Å; W481-L531 PolarHBondContact NE1-O 3.2Å; R485-L531 WeakPolarHBondContact CD-O 3.34Å; A527-L531 WeakPolarHBondContact O-CB 3.17Å; A527-L531 WeakPolarHBondContact O-CG 3.2Å; A527-L531 PolarHBondContact O-N 3.25Å; K528-L531 PolarHBondContact O-N 3.26Å; L531-G533 VanDerWaalsContact C-N 3.33Å
532	Y	98.7	Very high	98.5	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.016	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-0.9	173.8	-78.1	-100.6	0	0	0	113.1	I351 V352 F353 M379 L496 K528 L530 L534	I351-Y532 HydrophobicContact CB-CD1 3.75Å; I351-Y532 HydrophobicContact CB-CE1 3.66Å; I351-Y532 HydrophobicContact CB-CG 4.26Å; I351-Y532 HydrophobicContact CD1-CD2 4.04Å; I351-Y532 HydrophobicContact CD1-CE1 4.36Å; I351-Y532 HydrophobicContact CD1-CE2 3.82Å; I351-Y532 HydrophobicContact CD1-CG 4.39Å; I351-Y532 HydrophobicContact CG2-CD1 3.39Å; I351-Y532 HydrophobicContact CG2-CD2 4.31Å; I351-Y532 HydrophobicContact CG2-CE1 3.88Å; I351-Y532 HydrophobicContact CG2-CG 3.61Å; V352-Y532 PolarHBondContact O-OH 3.42Å; V352-Y532 VanDerWaalsContact O-OH 3.08Å; F353-Y532 WeakPolarHBondContact CD2-OH 3.46Å; M379-Y532 HydrophobicContact CE-CE2 4.25Å; M379-Y532 HydrophobicContact CG-CE2 3.76Å; M379-Y532 HydrophobicContact SD-CD2 4.44Å; M379-Y532 HydrophobicContact SD-CE2 3.82Å; L496-Y532 HydrophobicContact CD2-CD1 3.74Å; L496-Y532 HydrophobicContact CD2-CG 4.39Å; L496-Y532 VanDerWaalsContact CD2-O 3.29Å; L496-Y532 WeakPolarHBondContact CD2-O 3.47Å; K528-Y532 WeakPolarHBondContact O-CB 3.36Å; K528-Y532 WeakPolarHBondContact O-CD2 3.46Å; K528-Y532 PolarHBondContact O-N 3.05Å; L530-Y532 VanDerWaalsContact C-N 3.31Å; L530-Y532 PolarHBondContact O-N 3.41Å; Y532-L534 VanDerWaalsContact C-N 3.35Å
533	G	98.2	Very high	98.5	Very high	37 Å²	37	12.3 Å²	12.3	38%	0.381	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	12.9	175.6	0	0	0	0	0	114.9	V529 L530 L531 G535	V529-G533 PolarHBondContact O-N 2.9Å; L530-G533 PolarHBondContact O-N 3.34Å; L531-G533 VanDerWaalsContact C-N 3.33Å; G533-G535 VanDerWaalsContact C-N 3.34Å
534	L	98.7	Very high	98.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-79	-14.8	-174.6	-66.9	171	0	0	0	113.5	L346 I350 I351 L496 L500 L503 V529 Y532 V536 V537 F538	L346-L534 HydrophobicContact CD1-CD1 3.76Å; I350-L534 HydrophobicContact CG2-CD1 3.7Å; I350-L534 HydrophobicContact CG2-CD2 3.63Å; I350-L534 HydrophobicContact CG2-CG 4.31Å; I351-L534 HydrophobicContact CG2-CD1 3.84Å; L496-L534 HydrophobicContact CD1-CD2 3.95Å; L500-L534 HydrophobicContact CD2-CD2 3.83Å; L500-L534 HydrophobicContact CG-CD2 4.48Å; L503-L534 HydrophobicContact CD1-CD2 3.78Å; V529-L534 HydrophobicContact CB-CB 4.42Å; V529-L534 HydrophobicContact CG1-CB 3.88Å; V529-L534 WeakPolarHBondContact O-CB 3.37Å; V529-L534 PolarHBondContact O-N 3.48Å; Y532-L534 VanDerWaalsContact C-N 3.35Å; L534-V536 PolarHBondContact O-N 3.05Å; L534-V537 HydrophobicContact CD2-CG2 4.42Å; L534-V537 WeakPolarHBondContact O-CG2 3.47Å; L534-V537 PolarHBondContact O-N 3.4Å; L534-V537 VanDerWaalsContact O-N 3.07Å; L534-F538 HydrophobicContact CB-CD2 4.15Å; L534-F538 PolarHBondContact O-N 2.89Å; L534-F538 VanDerWaalsContact O-N 3.15Å
535	G	97.9	Very high	98.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-63.9	-14	-173.2	0	0	0	0	0	116.3	Y462 K466 V529 G533	Y462-G535 VanDerWaalsContact OH-CA 3.3Å; Y462-G535 WeakPolarHBondContact OH-CA 3.29Å; K466-G535 WeakPolarHBondContact CD-O 3.35Å; V529-G535 PolarHBondContact O-N 3Å; G533-G535 VanDerWaalsContact C-N 3.34Å
536	V	96.4	Very high	98.5	Very high	74 Å²	74	12.3 Å²	12.3	45%	0.448	8%	0.077	S	C	.	.	G	3₁₀ helix	trans	-74.4	-44.9	171.7	179.3	0	0	0	0	111	N467 H507 L534	N467-V536 HydrophobicContact CB-CG2 4.25Å; H507-V536 PolarHBondContact CE1-O 3.37Å; H507-V536 VanDerWaalsContact CE1-O 3.28Å; L534-V536 PolarHBondContact O-N 3.05Å
537	V	98.2	Very high	98.4	Very high	8 Å²	8	15.5 Å²	15.5	5%	0.048	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-21.6	-176.1	-67.4	0	0	0	0	113.5	L503 H507 L534	L503-V537 HydrophobicContact CB-CB 4.42Å; L503-V537 HydrophobicContact CB-CG1 4.46Å; L503-V537 HydrophobicContact CB-CG2 4.14Å; L503-V537 HydrophobicContact CD1-CG2 4.39Å; H507-V537 HydrophobicContact CB-CB 4.39Å; H507-V537 HydrophobicContact CB-CG1 4.03Å; L534-V537 HydrophobicContact CD2-CG2 4.42Å; L534-V537 WeakPolarHBondContact O-CG2 3.47Å; L534-V537 PolarHBondContact O-N 3.4Å; L534-V537 VanDerWaalsContact O-N 3.07Å
538	F	98.6	Very high	98.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-110.6	106.5	171.4	-65.5	-76.8	0	0	0	112	W344 I350 Y462 L503 N514 L516 L534 I543	W344-F538 HydrophobicContact CB-CZ 4.34Å; W344-F538 HydrophobicContact CG-CZ 4.24Å; I350-F538 HydrophobicContact CD1-CE2 3.86Å; I350-F538 HydrophobicContact CD1-CZ 3.71Å; Y462-F538 PolarHBondContact OH-O 3.09Å; L503-F538 HydrophobicContact CD1-CE2 4.29Å; L503-F538 HydrophobicContact CD2-CE1 4.43Å; L503-F538 HydrophobicContact CD2-CE2 3.77Å; L503-F538 HydrophobicContact CD2-CZ 3.49Å; L503-F538 VanDerWaalsContact CD2-CZ 3.49Å; N514-F538 HydrophobicContact CB-CD1 3.99Å; N514-F538 HydrophobicContact CB-CE1 3.7Å; N514-F538 HydrophobicContact CB-CZ 4.38Å; L516-F538 HydrophobicContact CB-CD1 3.8Å; L516-F538 HydrophobicContact CB-CE1 3.71Å; L516-F538 HydrophobicContact CB-CG 4.38Å; L516-F538 HydrophobicContact CB-CZ 4.22Å; L516-F538 HydrophobicContact CD1-CE1 4.25Å; L516-F538 HydrophobicContact CD1-CE2 4.33Å; L516-F538 HydrophobicContact CD1-CZ 3.92Å; L534-F538 HydrophobicContact CB-CD2 4.15Å; L534-F538 PolarHBondContact O-N 2.89Å; L534-F538 VanDerWaalsContact O-N 3.15Å; F538-I543 HydrophobicContact CB-CD1 4.16Å; F538-I543 HydrophobicContact CB-CG1 4.18Å
539	P	98	Very high	98.1	Very high	40 Å²	40	23 Å²	23	26%	0.26	13%	0.131	S	C	.	.			trans	-53.7	146.3	158.8	-22.5	33.6	0	0	0	110.6	E541 N542	P539-E541 PolarHBondContact O-N 3.47Å; P539-N542 HydrophobicContact CB-CB 4.33Å; P539-N542 WeakPolarHBondContact O-CA 3.48Å; P539-N542 WeakPolarHBondContact O-CB 3.48Å; P539-N542 PolarHBondContact O-N 3.17Å
540	I	98.5	Very high	98.1	Very high	2 Å²	2	24 Å²	24	1%	0.01	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-67.2	-29.5	-177.6	-172.8	164	0	0	0	112.4	I404 K459 Y462 L526 N542 I543	I404-I540 HydrophobicContact CB-CD1 4.38Å; I404-I540 HydrophobicContact CB-CG1 4.08Å; I404-I540 HydrophobicContact CD1-CD1 3.76Å; I404-I540 HydrophobicContact CD1-CG1 4.37Å; I404-I540 HydrophobicContact CG1-CD1 3.72Å; I404-I540 HydrophobicContact CG1-CG1 3.93Å; I404-I540 HydrophobicContact CG2-CG1 4.14Å; K459-I540 HydrophobicContact CD-CG2 4.44Å; K459-I540 HydrophobicContact CG-CD1 4.47Å; K459-I540 HydrophobicContact CG-CG2 3.76Å; Y462-I540 HydrophobicContact CD1-CB 3.65Å; Y462-I540 HydrophobicContact CD1-CD1 4.07Å; Y462-I540 HydrophobicContact CD1-CG1 4.31Å; Y462-I540 HydrophobicContact CD1-CG2 4.25Å; Y462-I540 HydrophobicContact CD2-CD1 4.22Å; Y462-I540 HydrophobicContact CE1-CB 3.7Å; Y462-I540 HydrophobicContact CG-CB 4.23Å; Y462-I540 HydrophobicContact CG-CD1 3.78Å; Y462-I540 HydrophobicContact CG-CG1 4.41Å; L526-I540 HydrophobicContact CD1-CD1 3.78Å; L526-I540 HydrophobicContact CD1-CG1 4.42Å; L526-I540 HydrophobicContact CD2-CD1 3.75Å; L526-I540 HydrophobicContact CD2-CG1 3.71Å; L526-I540 HydrophobicContact CG-CD1 4.43Å; I540-N542 PolarHBondContact O-N 2.89Å; I540-N542 VanDerWaalsContact O-N 3.12Å; I540-I543 PolarHBondContact O-N 3.43Å
541	E	98.2	Very high	98	Very high	56 Å²	56	24 Å²	24	26%	0.262	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-64	-12	171.6	-57.8	78.1	-172.9	0	0	112.7	H403 K459 P539 R561	H403-E541 WeakPolarHBondContact NE2-CA 3.42Å; H403-E541 CovalentContact NE2-O 1.82Å; H403-E541 PolarHBondContact NE2-O 3.11Å; K459-E541 WeakPolarHBondContact CE-OE1 3.34Å; K459-E541 IonicContact NZ-OE1 2.74Å; K459-E541 PolarHBondContact NZ-OE1 2.93Å; K459-E541 VanDerWaalsContact NZ-OE1 3.16Å; P539-E541 PolarHBondContact O-N 3.47Å; E541-R561 PolarHBondContact O-NH1 3.12Å
542	N	98.7	Very high	97.9	Very high	13 Å²	13	27 Å²	27	7%	0.07	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-104.7	8.9	-179	-72.1	14.3	0	0	0	112.9	V513 N514 I515 L516 P539 I540 R561	V513-N542 VanDerWaalsContact CG1-ND2 3.29Å; V513-N542 WeakPolarHBondContact CG1-ND2 3.36Å; N514-N542 PolarHBondContact O-ND2 2.98Å; I515-N542 WeakPolarHBondContact CA-O 3.28Å; I515-N542 HydrophobicContact CD1-CB 3.73Å; L516-N542 PolarHBondContact N-O 3.34Å; P539-N542 HydrophobicContact CB-CB 4.33Å; P539-N542 WeakPolarHBondContact O-CA 3.48Å; P539-N542 WeakPolarHBondContact O-CB 3.48Å; P539-N542 PolarHBondContact O-N 3.17Å; I540-N542 PolarHBondContact O-N 2.89Å; I540-N542 VanDerWaalsContact O-N 3.12Å; N542-R561 PolarHBondContact OD1-NH1 3.46Å; N542-R561 PolarHBondContact OD1-NH2 3.04Å
543	I	98.9	Very high	97.9	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.1	178.7	-60.3	172.1	0	0	0	109.1	H403 Y462 L516 L522 L526 V529 F538 I540	H403-I543 PolarHBondContact CD2-O 3.01Å; Y462-I543 HydrophobicContact CE2-CD1 4.24Å; Y462-I543 WeakPolarHBondContact OH-CD1 3.26Å; L516-I543 HydrophobicContact CB-CG1 4.17Å; L516-I543 HydrophobicContact CD2-CG1 4.33Å; L516-I543 HydrophobicContact CD2-CG2 4.31Å; L522-I543 HydrophobicContact CD1-CG2 3.97Å; L526-I543 HydrophobicContact CD2-CB 4.42Å; L526-I543 HydrophobicContact CD2-CD1 3.63Å; L526-I543 HydrophobicContact CD2-CG2 4.24Å; V529-I543 HydrophobicContact CB-CD1 4.44Å; V529-I543 HydrophobicContact CG1-CD1 3.97Å; V529-I543 HydrophobicContact CG2-CD1 4.26Å; F538-I543 HydrophobicContact CB-CD1 4.16Å; F538-I543 HydrophobicContact CB-CG1 4.18Å; I540-I543 PolarHBondContact O-N 3.43Å
544	Y	98.9	Very high	97.9	Very high	5 Å²	5	27.2 Å²	27.2	2%	0.02	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.3	179.4	-61.6	-96.8	0	0	0	110.2	V402 H403 I515 L516 V517 T518 V558 R561	V402-Y544 CarbonylContact O-C 3.55Å; V402-Y544 WeakPolarHBondContact O-CA 3.37Å; H403-Y544 HydrophobicContact CB-CD1 4.09Å; H403-Y544 HydrophobicContact CB-CE1 4.19Å; H403-Y544 AromaticContact CD2-CD1 3.71Å; H403-Y544 AromaticContact CD2-CE1 3.37Å; H403-Y544 WeakPolarHBondContact CD2-CE1 3.48Å; H403-Y544 AromaticContact CD2-CZ 3.68Å; H403-Y544 AromaticContact CG-CE1 3.97Å; I515-Y544 HydrophobicContact CG2-CD2 3.81Å; I515-Y544 HydrophobicContact CG2-CE2 3.82Å; L516-Y544 PolarHBondContact O-N 3.42Å; V517-Y544 WeakPolarHBondContact CA-O 3.31Å; V517-Y544 HydrophobicContact CG2-CD2 4.44Å; T518-Y544 PolarHBondContact N-O 2.79Å; Y544-V558 HydrophobicContact CD2-CG2 4.04Å; Y544-V558 HydrophobicContact CE2-CG2 3.7Å; Y544-R561 VanDerWaalsContact OH-CD 3.31Å; Y544-R561 WeakPolarHBondContact OH-CD 3.21Å; Y544-R561 PolarHBondContact OH-NH1 3.08Å
545	S	98.8	Very high	97.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.5	169.4	179.8	0	0	0	0	110.4	V402 T520 T547	V402-S545 WeakPolarHBondContact CG1-O 3.2Å; V402-S545 PolarHBondContact O-N 2.96Å; T520-S545 WeakPolarHBondContact O-CB 3.44Å; T520-S545 PolarHBondContact O-OG 3.1Å; S545-T547 PolarHBondContact OG-N 3.29Å; S545-T547 PolarHBondContact OG-OG1 3.05Å
546	A	98.4	Very high	97.9	Very high	3 Å²	3	31.7 Å²	31.7	3%	0.025	17%	0.173	C	C	.	.			trans	-82.3	-9.5	175.4	0	0	0	0	0	113.3	V517 T518 K548 I549 G550 K551	V517-A546 HydrophobicContact CG1-CB 4.31Å; T518-A546 WeakPolarHBondContact O-CB 3.5Å; T518-A546 PolarHBondContact O-N 3.44Å; A546-K548 PolarHBondContact O-N 3.06Å; A546-I549 PolarHBondContact O-N 3.19Å; A546-G550 WeakPolarHBondContact O-CA 3.42Å; A546-G550 PolarHBondContact O-N 3.41Å; A546-K551 HydrophobicContact CB-CD 4.08Å; A546-K551 HydrophobicContact CB-CG 4.4Å
547	T	97.1	Very high	98	Very high	67 Å²	67	31.7 Å²	31.7	41%	0.411	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-33.5	-168.8	-46.8	0	0	0	0	114.2	T519 T520 Q521 S545	T519-T547 PolarHBondContact O-OG1 3.35Å; T520-T547 PolarHBondContact O-OG1 3.06Å; Q521-T547 WeakPolarHBondContact CA-OG1 3.48Å; Q521-T547 HydrophobicContact CG-CG2 4.13Å; Q521-T547 PolarHBondContact N-OG1 3.4Å; Q521-T547 VanDerWaalsContact N-OG1 3.13Å; S545-T547 PolarHBondContact OG-N 3.29Å; S545-T547 PolarHBondContact OG-OG1 3.05Å
548	K	95.9	Very high	98	Very high	108 Å²	108	31.3 Å²	31.3	47%	0.47	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-13.2	-177.6	-59.9	-171.2	-178.6	-175.1	0	115.2	D400 A546	D400-K548 WeakPolarHBondContact O-CD 3.48Å; D400-K548 WeakPolarHBondContact O-CE 3.24Å; D400-K548 PolarHBondContact O-NZ 2.73Å; A546-K548 PolarHBondContact O-N 3.06Å
549	I	96.7	Very high	98	Very high	64 Å²	64	32.7 Å²	32.7	33%	0.328	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.1	-5.6	-173.1	69	168.5	0	0	0	116	V402 A546 S553	V402-I549 HydrophobicContact CB-CD1 4.38Å; V402-I549 HydrophobicContact CG1-CD1 3.66Å; V402-I549 HydrophobicContact CG1-CG1 4.24Å; V402-I549 HydrophobicContact CG2-CD1 3.88Å; V402-I549 HydrophobicContact CG2-CG1 3.86Å; V402-I549 HydrophobicContact CG2-CG2 3.98Å; A546-I549 PolarHBondContact O-N 3.19Å; I549-S553 WeakPolarHBondContact O-CB 3.5Å; I549-S553 PolarHBondContact O-OG 3.33Å
550	G	97.4	Very high	97.9	Very high	21 Å²	21	37.5 Å²	37.5	22%	0.216	19%	0.189	C	C	.	.	H	α-helix	trans	78.1	156.3	-175.2	0	0	0	0	0	114.4	A546 E552 S553 C554 E576	A546-G550 WeakPolarHBondContact O-CA 3.42Å; A546-G550 PolarHBondContact O-N 3.41Å; G550-E552 VanDerWaalsContact C-N 3.26Å; G550-E552 PolarHBondContact O-N 2.84Å; G550-S553 PolarHBondContact O-N 3.3Å; G550-C554 PolarHBondContact O-N 3.24Å; G550-E576 VanDerWaalsContact CA-OE1 3.25Å; G550-E576 WeakPolarHBondContact CA-OE1 3.37Å
551	K	97.7	Very high	97.8	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	19%	0.193	C	C	.	.	H	α-helix	trans	-54.9	-42.4	179	-65	-71.9	-171	78.1	0	111.3	D345 V517 A546 C554 F555 E576 E577	D345-K551 IonicContact OD1-NZ 3.89Å; D345-K551 WeakPolarHBondContact OD2-CE 3.49Å; D345-K551 IonicContact OD2-NZ 2.77Å; D345-K551 PolarHBondContact OD2-NZ 3.44Å; V517-K551 HydrophobicContact CB-CD 4.41Å; V517-K551 HydrophobicContact CG1-CD 3.81Å; V517-K551 WeakPolarHBondContact O-CD 3.48Å; V517-K551 WeakPolarHBondContact O-CE 3.1Å; A546-K551 HydrophobicContact CB-CD 4.08Å; A546-K551 HydrophobicContact CB-CG 4.4Å; K551-C554 WeakPolarHBondContact O-CB 3.44Å; K551-C554 PolarHBondContact O-N 3.25Å; K551-F555 HydrophobicContact CB-CE1 4.33Å; K551-F555 HydrophobicContact CB-CE2 4.31Å; K551-F555 HydrophobicContact CB-CZ 3.98Å; K551-F555 VanDerWaalsContact O-CD1 3.24Å; K551-F555 WeakPolarHBondContact O-CD1 3.42Å; K551-F555 VanDerWaalsContact O-CG 3.23Å; K551-F555 WeakPolarHBondContact O-CG 3.37Å; K551-F555 PolarHBondContact O-N 3.36Å; K551-E576 HydrophobicContact CB-CG 4.04Å; K551-E576 HydrophobicContact CG-CB 4.05Å; K551-E576 HydrophobicContact CG-CG 3.82Å; K551-E576 WeakPolarHBondContact CG-OE2 3.34Å; K551-E576 PolarHBondContact N-OE1 3.25Å; K551-E577 VanDerWaalsContact NZ-CD 3.32Å; K551-E577 IonicContact NZ-OE1 2.46Å; K551-E577 IonicContact NZ-OE2 2.77Å; K551-E577 PolarHBondContact NZ-OE2 3.23Å
552	E	96.9	Very high	97.7	Very high	63 Å²	63	37.3 Å²	37.3	29%	0.294	19%	0.186	S	C	.	.	H	α-helix	trans	-56.6	-52.7	-179.6	-169.6	-161.7	121.5	0	0	112.2	G550 C554 F555 E556 K583 H584	G550-E552 VanDerWaalsContact C-N 3.26Å; G550-E552 PolarHBondContact O-N 2.84Å; E552-C554 VanDerWaalsContact C-N 3.26Å; E552-C554 PolarHBondContact O-N 3Å; E552-F555 WeakPolarHBondContact O-CA 3.29Å; E552-F555 WeakPolarHBondContact O-CB 3.36Å; E552-F555 PolarHBondContact O-N 2.9Å; E552-E556 PolarHBondContact O-N 2.77Å; E552-K583 HydrophobicContact CG-CD 4.04Å; E552-K583 IonicContact OE1-NZ 3.72Å; E552-K583 PolarHBondContact OE1-NZ 3.24Å; E552-K583 WeakPolarHBondContact OE2-CD 3.49Å; E552-K583 WeakPolarHBondContact OE2-CE 3.37Å; E552-K583 IonicContact OE2-NZ 3.3Å; E552-K583 PolarHBondContact OE2-NZ 2.96Å; E552-H584 WeakPolarHBondContact CG-NE2 3.42Å
553	S	98.2	Very high	97.5	Very high	45 Å²	45	38 Å²	38	32%	0.315	20%	0.197	S	C	.	.	H	α-helix	trans	-63.6	-33.8	179.3	-51	0	0	0	0	111.8	I549 G550 E556 R557	I549-S553 WeakPolarHBondContact O-CB 3.5Å; I549-S553 PolarHBondContact O-OG 3.33Å; G550-S553 PolarHBondContact O-N 3.3Å; S553-E556 PolarHBondContact O-N 3.44Å; S553-R557 WeakPolarHBondContact O-CG 3.31Å; S553-R557 PolarHBondContact O-N 3Å; S553-R557 VanDerWaalsContact O-N 3.12Å
554	C	98.6	Very high	97.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.5	-40.6	170.4	-73.9	0	0	0	0	112.2	V517 G550 K551 E552 E556 R557 V558	V517-C554 HydrophobicContact CG1-CB 3.39Å; V517-C554 HydrophobicContact CG2-CB 4.44Å; G550-C554 PolarHBondContact O-N 3.24Å; K551-C554 WeakPolarHBondContact O-CB 3.44Å; K551-C554 PolarHBondContact O-N 3.25Å; E552-C554 VanDerWaalsContact C-N 3.26Å; E552-C554 PolarHBondContact O-N 3Å; C554-E556 VanDerWaalsContact C-N 3.33Å; C554-E556 PolarHBondContact O-N 3Å; C554-R557 WeakPolarHBondContact O-CB 3.48Å; C554-R557 PolarHBondContact O-N 3.33Å; C554-R557 VanDerWaalsContact O-N 3.15Å; C554-V558 WeakPolarHBondContact O-CG2 3.32Å; C554-V558 PolarHBondContact O-N 3.49Å
555	F	98.6	Very high	96.8	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-40.8	174.5	-58.8	-17.1	0	0	0	111.5	I343 V517 K551 E552 R557 V558 I559 V570 E577 M586	I343-F555 HydrophobicContact CD1-CD1 4.2Å; I343-F555 HydrophobicContact CG2-CD1 3.95Å; I343-F555 HydrophobicContact CG2-CE1 3.63Å; V517-F555 HydrophobicContact CB-CE1 4.23Å; V517-F555 HydrophobicContact CG1-CE1 4.26Å; V517-F555 HydrophobicContact CG2-CD1 4.39Å; V517-F555 HydrophobicContact CG2-CE1 4.25Å; K551-F555 HydrophobicContact CB-CE1 4.33Å; K551-F555 HydrophobicContact CB-CE2 4.31Å; K551-F555 HydrophobicContact CB-CZ 3.98Å; K551-F555 VanDerWaalsContact O-CD1 3.24Å; K551-F555 WeakPolarHBondContact O-CD1 3.42Å; K551-F555 VanDerWaalsContact O-CG 3.23Å; K551-F555 WeakPolarHBondContact O-CG 3.37Å; K551-F555 PolarHBondContact O-N 3.36Å; E552-F555 WeakPolarHBondContact O-CA 3.29Å; E552-F555 WeakPolarHBondContact O-CB 3.36Å; E552-F555 PolarHBondContact O-N 2.9Å; F555-R557 VanDerWaalsContact C-N 3.34Å; F555-R557 PolarHBondContact O-N 3.1Å; F555-V558 PolarHBondContact O-N 3.16Å; F555-I559 WeakPolarHBondContact O-CB 3.5Å; F555-I559 VanDerWaalsContact O-CG1 3.27Å; F555-I559 WeakPolarHBondContact O-CG1 3.45Å; F555-I559 PolarHBondContact O-N 3.11Å; F555-V570 HydrophobicContact CE2-CG1 4.32Å; F555-V570 HydrophobicContact CE2-CG2 4.37Å; F555-V570 HydrophobicContact CZ-CG1 3.85Å; F555-V570 HydrophobicContact CZ-CG2 4.36Å; F555-E577 HydrophobicContact CE2-CB 4.28Å; F555-E577 HydrophobicContact CZ-CB 3.75Å; F555-M586 HydrophobicContact CB-CE 3.83Å; F555-M586 HydrophobicContact CD2-CE 3.47Å; F555-M586 VanDerWaalsContact CD2-CE 3.47Å; F555-M586 HydrophobicContact CE2-CE 4.12Å; F555-M586 HydrophobicContact CG-CE 3.72Å
556	E	98.1	Very high	96.6	Very high	92 Å²	92	59.4 Å²	59.4	43%	0.43	28%	0.284	S	S	.	.	H	α-helix	trans	-59	-43.4	172.2	-66.7	-151.7	145.6	0	0	112.4	E552 S553 C554 V558 I559 Q560 H584	E552-E556 PolarHBondContact O-N 2.77Å; S553-E556 PolarHBondContact O-N 3.44Å; C554-E556 VanDerWaalsContact C-N 3.33Å; C554-E556 PolarHBondContact O-N 3Å; E556-V558 VanDerWaalsContact C-N 3.33Å; E556-V558 PolarHBondContact O-N 3.21Å; E556-I559 PolarHBondContact O-N 3.09Å; E556-Q560 WeakPolarHBondContact O-CB 3.39Å; E556-Q560 WeakPolarHBondContact O-CG 3.32Å; E556-Q560 PolarHBondContact O-N 3.49Å; E556-H584 IonicContact OE1-CE1 3.99Å
557	R	98.1	Very high	96.5	Very high	74 Å²	74	62.5 Å²	62.5	28%	0.279	30%	0.302	S	S	.	.	H	α-helix	trans	-62.8	-37.7	176.2	-66.6	-171	71.8	-177.5	0.7	112.4	V402 D406 S553 C554 F555 R561	V402-R557 VanDerWaalsContact CG1-NH1 3.28Å; D406-R557 VanDerWaalsContact CG-NH1 3.34Å; D406-R557 IonicContact OD1-CZ 2.75Å; D406-R557 VanDerWaalsContact OD1-CZ 3.28Å; D406-R557 IonicContact OD1-NH1 2.9Å; D406-R557 PolarHBondContact OD1-NH1 3.48Å; D406-R557 IonicContact OD1-NH2 3.33Å; D406-R557 PolarHBondContact OD1-NH2 2.84Å; D406-R557 IonicContact OD2-CZ 2.61Å; D406-R557 IonicContact OD2-NH1 3.66Å; D406-R557 PolarHBondContact OD2-NH1 3.01Å; D406-R557 IonicContact OD2-NH2 2.63Å; S553-R557 WeakPolarHBondContact O-CG 3.31Å; S553-R557 PolarHBondContact O-N 3Å; S553-R557 VanDerWaalsContact O-N 3.12Å; C554-R557 WeakPolarHBondContact O-CB 3.48Å; C554-R557 PolarHBondContact O-N 3.33Å; C554-R557 VanDerWaalsContact O-N 3.15Å; F555-R557 VanDerWaalsContact C-N 3.34Å; F555-R557 PolarHBondContact O-N 3.1Å; R557-R561 PolarHBondContact O-N 3.34Å; R557-R561 VanDerWaalsContact O-N 3.14Å
558	V	98.4	Very high	96.6	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-67.9	-45.7	176	172.3	0	0	0	0	110.9	V341 I343 I515 Y544 C554 F555 E556 Q560 R561 F562 Y568	V341-V558 HydrophobicContact CG1-CG1 4.12Å; I343-V558 HydrophobicContact CD1-CB 4.48Å; I343-V558 HydrophobicContact CD1-CG1 3.89Å; I343-V558 HydrophobicContact CG1-CG1 4.38Å; I515-V558 HydrophobicContact CG1-CG1 4.34Å; I515-V558 HydrophobicContact CG2-CG1 4.46Å; I515-V558 HydrophobicContact CG2-CG2 3.85Å; Y544-V558 HydrophobicContact CD2-CG2 4.04Å; Y544-V558 HydrophobicContact CE2-CG2 3.7Å; C554-V558 WeakPolarHBondContact O-CG2 3.32Å; C554-V558 PolarHBondContact O-N 3.49Å; F555-V558 PolarHBondContact O-N 3.16Å; E556-V558 VanDerWaalsContact C-N 3.33Å; E556-V558 PolarHBondContact O-N 3.21Å; V558-Q560 VanDerWaalsContact C-N 3.32Å; V558-Q560 PolarHBondContact O-N 3.45Å; V558-R561 PolarHBondContact O-N 3.11Å; V558-R561 VanDerWaalsContact O-N 3.12Å; V558-F562 HydrophobicContact CG1-CD2 3.95Å; V558-F562 HydrophobicContact CG1-CE2 4.28Å; V558-F562 WeakPolarHBondContact O-CD2 3.42Å; V558-F562 PolarHBondContact O-N 2.84Å; V558-Y568 HydrophobicContact CG1-CD1 4.35Å; V558-Y568 HydrophobicContact CG1-CE1 3.99Å
559	I	97.5	Very high	96.7	Very high	29 Å²	29	55.2 Å²	55.2	15%	0.149	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-37.3	176.6	-65.8	162.6	0	0	0	111.4	F555 E556 R561 G563 R564 Y568 H584 M586	F555-I559 WeakPolarHBondContact O-CB 3.5Å; F555-I559 VanDerWaalsContact O-CG1 3.27Å; F555-I559 WeakPolarHBondContact O-CG1 3.45Å; F555-I559 PolarHBondContact O-N 3.11Å; E556-I559 PolarHBondContact O-N 3.09Å; I559-R561 VanDerWaalsContact C-N 3.32Å; I559-R561 PolarHBondContact O-N 3.43Å; I559-G563 VanDerWaalsContact O-CA 3.31Å; I559-G563 WeakPolarHBondContact O-CA 3.34Å; I559-G563 PolarHBondContact O-N 3.09Å; I559-R564 HydrophobicContact CG2-CG 4.18Å; I559-Y568 HydrophobicContact CG1-CD1 4.45Å; I559-Y568 HydrophobicContact CG1-CD2 4.29Å; I559-Y568 HydrophobicContact CG1-CE1 4.22Å; I559-Y568 HydrophobicContact CG1-CE2 4.04Å; I559-Y568 HydrophobicContact CG1-CG 4.48Å; I559-H584 HydrophobicContact CD1-CB 4.1Å; I559-M586 HydrophobicContact CD1-SD 3.99Å; I559-M586 HydrophobicContact CG1-SD 4.49Å
560	Q	96.8	Very high	96.8	Very high	141 Å²	141	52.2 Å²	52.2	66%	0.659	25%	0.25	S	C	*	.	H	α-helix	trans	-67	-29.4	174.4	-73.4	170.8	39.4	0	0	113.2	E556 V558	E556-Q560 WeakPolarHBondContact O-CB 3.39Å; E556-Q560 WeakPolarHBondContact O-CG 3.32Å; E556-Q560 PolarHBondContact O-N 3.49Å; V558-Q560 VanDerWaalsContact C-N 3.32Å; V558-Q560 PolarHBondContact O-N 3.45Å
561	R	96	Very high	96.9	Very high	28 Å²	28	51.2 Å²	51.2	11%	0.106	24%	0.239	C	C	.	.	H	α-helix	trans	-79.3	-49	179.9	178.3	179.1	173.8	-153.7	-2.5	112.9	N329 P332 E541 N542 Y544 R557 V558 I559	N329-R561 VanDerWaalsContact CG-NE 3.31Å; N329-R561 PolarHBondContact ND2-NE 3.23Å; N329-R561 PolarHBondContact OD1-NE 3.49Å; P332-R561 WeakPolarHBondContact CD-O 3.41Å; E541-R561 PolarHBondContact O-NH1 3.12Å; N542-R561 PolarHBondContact OD1-NH1 3.46Å; N542-R561 PolarHBondContact OD1-NH2 3.04Å; Y544-R561 VanDerWaalsContact OH-CD 3.31Å; Y544-R561 WeakPolarHBondContact OH-CD 3.21Å; Y544-R561 PolarHBondContact OH-NH1 3.08Å; R557-R561 PolarHBondContact O-N 3.34Å; R557-R561 VanDerWaalsContact O-N 3.14Å; V558-R561 PolarHBondContact O-N 3.11Å; V558-R561 VanDerWaalsContact O-N 3.12Å; I559-R561 VanDerWaalsContact C-N 3.32Å; I559-R561 PolarHBondContact O-N 3.43Å
562	F	95.8	Very high	96.9	Very high	26 Å²	26	51.1 Å²	51.1	11%	0.114	24%	0.239	C	C	.	.	H	α-helix	trans	-95	-19.4	-173.6	-62.8	-77.1	0	0	0	113.8	P332 L338 V341 V513 I515 V558 V566 Y568	P332-F562 HydrophobicContact CG-CD1 3.82Å; P332-F562 HydrophobicContact CG-CE1 4.37Å; L338-F562 HydrophobicContact CD2-CB 4.17Å; L338-F562 HydrophobicContact CD2-CD1 3.46Å; L338-F562 VanDerWaalsContact CD2-CD1 3.46Å; L338-F562 HydrophobicContact CD2-CE1 4.22Å; L338-F562 HydrophobicContact CD2-CG 4.16Å; V341-F562 HydrophobicContact CG2-CB 4.34Å; V341-F562 HydrophobicContact CG2-CD1 4.43Å; V341-F562 HydrophobicContact CG2-CD2 4.29Å; V341-F562 HydrophobicContact CG2-CG 4.11Å; V513-F562 HydrophobicContact CG1-CE1 4.45Å; V513-F562 HydrophobicContact CG1-CZ 4.25Å; I515-F562 HydrophobicContact CD1-CE2 3.48Å; I515-F562 VanDerWaalsContact CD1-CE2 3.48Å; I515-F562 HydrophobicContact CD1-CZ 3.65Å; I515-F562 HydrophobicContact CG1-CE2 4.14Å; V558-F562 HydrophobicContact CG1-CD2 3.95Å; V558-F562 HydrophobicContact CG1-CE2 4.28Å; V558-F562 WeakPolarHBondContact O-CD2 3.42Å; V558-F562 PolarHBondContact O-N 2.84Å; F562-V566 HydrophobicContact CB-CG2 4.36Å; F562-V566 WeakPolarHBondContact O-CG2 3.46Å; F562-Y568 HydrophobicContact CB-CE1 4.36Å; F562-Y568 WeakPolarHBondContact CB-OH 3.49Å
563	G	94.6	Very high	97	Very high	28 Å²	28	50.2 Å²	50.2	29%	0.289	24%	0.236	S	C	.	.			trans	87.9	153.7	170.7	0	0	0	0	0	115.5	I559 K565 V566 Y568	I559-G563 VanDerWaalsContact O-CA 3.31Å; I559-G563 WeakPolarHBondContact O-CA 3.34Å; I559-G563 PolarHBondContact O-N 3.09Å; G563-K565 PolarHBondContact O-N 3.39Å; G563-V566 PolarHBondContact O-N 3.02Å; G563-Y568 PolarHBondContact N-OH 3Å; G563-Y568 PolarHBondContact O-OH 3.3Å
564	R	91.9	Very high	96.9	Very high	239 Å²	239	49 Å²	49	90%	0.902	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	9.3	-169.5	-58.8	-179.5	-179.6	173.1	-2	116.4	I559	I559-R564 HydrophobicContact CG2-CG 4.18Å
565	K	91.8	Very high	96.8	Very high	201 Å²	201	53.5 Å²	53.5	87%	0.874	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-20.8	174	-71.5	-173.5	178.7	-179.3	0	112.7	G563	G563-K565 PolarHBondContact O-N 3.39Å
566	V	95	Very high	96.7	Very high	15 Å²	15	57 Å²	57	9%	0.091	27%	0.274	C	S	.	.	S	Bend	trans	-78.8	143.4	-176.8	-175.1	0	0	0	0	109.9	L338 V341 F562 G563 Y568	L338-V566 HydrophobicContact CD2-CG2 4.1Å; L338-V566 HydrophobicContact CG-CG1 4.22Å; L338-V566 HydrophobicContact CG-CG2 4.13Å; V341-V566 HydrophobicContact CB-CG1 4Å; V341-V566 HydrophobicContact CG2-CG1 3.71Å; F562-V566 HydrophobicContact CB-CG2 4.36Å; F562-V566 WeakPolarHBondContact O-CG2 3.46Å; G563-V566 PolarHBondContact O-N 3.02Å; V566-Y568 HydrophobicContact CB-CE2 3.95Å; V566-Y568 HydrophobicContact CG1-CE1 4.5Å; V566-Y568 VanDerWaalsContact O-CD2 3.24Å; V566-Y568 WeakPolarHBondContact O-CD2 3.43Å; V566-Y568 VanDerWaalsContact O-CE2 3.28Å; V566-Y568 WeakPolarHBondContact O-CE2 3.34Å
567	V	96.4	Very high	96.6	Very high	67 Å²	67	52.9 Å²	52.9	41%	0.406	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	122.6	168.9	-175.8	0	0	0	0	108.7	E339 R340 V341 I569	E339-V567 PolarHBondContact O-N 3.46Å; R340-V567 CarbonylContact C-O 3.59Å; R340-V567 VanDerWaalsContact CA-O 3.32Å; R340-V567 WeakPolarHBondContact CA-O 3.24Å; R340-V567 HydrophobicContact CG-CB 4.47Å; V341-V567 PolarHBondContact N-O 2.91Å; V567-I569 HydrophobicContact CG1-CD1 3.92Å
568	Y	98.4	Very high	96.6	Very high	16 Å²	16	51.5 Å²	51.5	6%	0.063	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.3	178.8	-62.9	-88.4	0	0	0	110.1	V341 I343 V558 I559 F562 G563 V566 M586 P587	V341-Y568 HydrophobicContact CB-CD1 3.66Å; V341-Y568 HydrophobicContact CB-CE1 3.84Å; V341-Y568 HydrophobicContact CG1-CD1 3.65Å; V341-Y568 HydrophobicContact CG1-CE1 3.89Å; V341-Y568 HydrophobicContact CG2-CE1 4.22Å; V341-Y568 WeakPolarHBondContact O-CA 3.45Å; I343-Y568 HydrophobicContact CD1-CD1 4.07Å; V558-Y568 HydrophobicContact CG1-CD1 4.35Å; V558-Y568 HydrophobicContact CG1-CE1 3.99Å; I559-Y568 HydrophobicContact CG1-CD1 4.45Å; I559-Y568 HydrophobicContact CG1-CD2 4.29Å; I559-Y568 HydrophobicContact CG1-CE1 4.22Å; I559-Y568 HydrophobicContact CG1-CE2 4.04Å; I559-Y568 HydrophobicContact CG1-CG 4.48Å; F562-Y568 HydrophobicContact CB-CE1 4.36Å; F562-Y568 WeakPolarHBondContact CB-OH 3.49Å; G563-Y568 PolarHBondContact N-OH 3Å; G563-Y568 PolarHBondContact O-OH 3.3Å; V566-Y568 HydrophobicContact CB-CE2 3.95Å; V566-Y568 HydrophobicContact CG1-CE1 4.5Å; V566-Y568 VanDerWaalsContact O-CD2 3.24Å; V566-Y568 WeakPolarHBondContact O-CD2 3.43Å; V566-Y568 VanDerWaalsContact O-CE2 3.28Å; V566-Y568 WeakPolarHBondContact O-CE2 3.34Å; Y568-M586 WeakPolarHBondContact CB-SD 3.26Å; Y568-M586 HydrophobicContact CG-SD 3.97Å; Y568-P587 WeakPolarHBondContact O-CD 3.49Å
569	I	98.5	Very high	96.6	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123	175.7	-56.5	85.8	0	0	0	107.3	R340 V341 F342 I343 V567 I571	R340-I569 HydrophobicContact CB-CD1 4.23Å; V341-I569 PolarHBondContact O-N 3.16Å; F342-I569 CarbonylContact C-O 3.59Å; F342-I569 WeakPolarHBondContact CA-O 3.3Å; F342-I569 HydrophobicContact CD1-CB 3.86Å; F342-I569 HydrophobicContact CD1-CD1 4.22Å; F342-I569 HydrophobicContact CD1-CG1 4.34Å; F342-I569 HydrophobicContact CD1-CG2 4.26Å; F342-I569 HydrophobicContact CE1-CB 4.06Å; F342-I569 HydrophobicContact CE1-CD1 3.84Å; F342-I569 HydrophobicContact CE1-CG1 4.06Å; F342-I569 HydrophobicContact CE1-CG2 4.42Å; F342-I569 HydrophobicContact CZ-CD1 4.08Å; I343-I569 PolarHBondContact N-O 3.17Å; V567-I569 HydrophobicContact CG1-CD1 3.92Å; I569-I571 HydrophobicContact CG2-CG1 4.34Å
570	V	98.8	Very high	96.5	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.8	177.5	-178	0	0	0	0	109.3	I343 F555 E577 M586 P587 F588 W589	I343-V570 HydrophobicContact CB-CG2 4.3Å; I343-V570 HydrophobicContact CD1-CG2 4.36Å; I343-V570 CarbonylContact O-C 3.58Å; I343-V570 WeakPolarHBondContact O-CA 3.48Å; F555-V570 HydrophobicContact CE2-CG1 4.32Å; F555-V570 HydrophobicContact CE2-CG2 4.37Å; F555-V570 HydrophobicContact CZ-CG1 3.85Å; F555-V570 HydrophobicContact CZ-CG2 4.36Å; V570-E577 HydrophobicContact CG1-CB 3.86Å; V570-E577 HydrophobicContact CG1-CG 4.34Å; V570-M586 HydrophobicContact CG2-CB 4.1Å; V570-M586 HydrophobicContact CG2-CE 3.52Å; V570-M586 HydrophobicContact CG2-SD 4.2Å; V570-P587 PolarHBondContact N-O 2.86Å; V570-F588 HydrophobicContact CB-CD2 4.01Å; V570-F588 HydrophobicContact CG1-CD2 3.85Å; V570-F588 HydrophobicContact CG1-CE2 4.1Å; V570-F588 CarbonylContact O-C 3.26Å; V570-F588 WeakPolarHBondContact O-CA 3.41Å; V570-F588 WeakPolarHBondContact O-CD2 3.33Å; V570-W589 PolarHBondContact O-N 3.16Å
571	I	98.9	Very high	96.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.2	-177.2	-55.8	161.1	0	0	0	108.1	F342 I343 W344 D345 T349 I569 W589 I591 L600	F342-I571 HydrophobicContact CB-CD1 4.28Å; F342-I571 HydrophobicContact CD1-CD1 4.01Å; I343-I571 PolarHBondContact O-N 3.39Å; W344-I571 CarbonylContact C-O 3.58Å; W344-I571 WeakPolarHBondContact CA-O 3.32Å; W344-I571 HydrophobicContact CD2-CB 4.15Å; W344-I571 HydrophobicContact CD2-CD1 3.75Å; W344-I571 HydrophobicContact CD2-CG2 4.3Å; W344-I571 VanDerWaalsContact CE2-CD1 3.49Å; W344-I571 HydrophobicContact CE3-CB 3.98Å; W344-I571 HydrophobicContact CE3-CD1 4.08Å; W344-I571 HydrophobicContact CE3-CG2 3.64Å; W344-I571 HydrophobicContact CG-CD1 4.38Å; W344-I571 HydrophobicContact CH2-CD1 4.01Å; W344-I571 HydrophobicContact CH2-CG2 4.5Å; W344-I571 HydrophobicContact CZ2-CD1 3.64Å; W344-I571 HydrophobicContact CZ3-CB 4.47Å; W344-I571 HydrophobicContact CZ3-CD1 4.2Å; W344-I571 HydrophobicContact CZ3-CG2 3.76Å; D345-I571 PolarHBondContact N-O 2.97Å; T349-I571 HydrophobicContact CG2-CG2 4.2Å; I569-I571 HydrophobicContact CG2-CG1 4.34Å; I571-W589 WeakPolarHBondContact CA-O 3.28Å; I571-W589 HydrophobicContact CG1-CB 4.17Å; I571-I591 HydrophobicContact CG2-CD1 4.23Å; I571-I591 HydrophobicContact CG2-CG1 3.72Å; I571-L600 HydrophobicContact CD1-CD1 4.36Å; I571-L600 HydrophobicContact CD1-CD2 4.03Å; I571-L600 HydrophobicContact CG2-CD2 3.99Å
572	G	98.6	Very high	96.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	166.8	-176.9	0	0	0	0	0	113.9	T349 E577 F588 W589 R590 I591	T349-G572 VanDerWaalsContact OG1-CA 3.27Å; T349-G572 WeakPolarHBondContact OG1-CA 3.43Å; G572-E577 WeakPolarHBondContact CA-OE1 3.34Å; G572-F588 VanDerWaalsContact O-CZ 3.24Å; G572-F588 WeakPolarHBondContact O-CZ 3.38Å; G572-W589 PolarHBondContact N-O 3.44Å; G572-R590 CarbonylContact O-C 3.58Å; G572-R590 WeakPolarHBondContact O-CA 3.41Å; G572-I591 PolarHBondContact O-N 3.37Å
573	D	98	Very high	96.7	Very high	45 Å²	45	59.1 Å²	59.1	24%	0.241	29%	0.285	C	S	.	.	S	Bend	trans	-106.3	-17.1	172.3	72.1	-78.9	0	0	0	112.8	E348 T349 E577 R590 I591	E348-D573 VanDerWaalsContact C-OD1 3.29Å; T349-D573 PolarHBondContact N-OD1 3.42Å; T349-D573 PolarHBondContact OG1-N 2.68Å; T349-D573 PolarHBondContact OG1-OD1 3Å; D573-E577 PolarHBondContact N-OE1 2.92Å; D573-R590 VanDerWaalsContact O-CZ 3.25Å; D573-R590 PolarHBondContact O-NH1 2.9Å; D573-R590 PolarHBondContact O-NH2 3.35Å; D573-I591 VanDerWaalsContact CA-O 3.26Å; D573-I591 WeakPolarHBondContact CA-O 3.28Å; D573-I591 WeakPolarHBondContact CB-O 3.17Å
574	G	95.5	Very high	96.8	Very high	20 Å²	20	59.9 Å²	59.9	21%	0.206	28%	0.281	C	S	.	.	S	Bend	trans	-70	176.6	-179.9	0	0	0	0	0	114	E577 R590	G574-E577 VanDerWaalsContact CA-OE1 3.24Å; G574-E577 WeakPolarHBondContact CA-OE1 3.39Å; G574-E577 PolarHBondContact N-OE1 3.28Å; G574-R590 PolarHBondContact O-NH1 3.15Å
575	V	96.4	Very high	97	Very high	94 Å²	94	55.7 Å²	55.7	57%	0.57	28%	0.277	S	S	*	.	S	Bend	trans	-100.2	-14.9	172.5	-64.6	0	0	0	0	112.9	Q579	V575-Q579 WeakPolarHBondContact O-CB 3.37Å; V575-Q579 WeakPolarHBondContact O-CG 3.45Å; V575-Q579 PolarHBondContact O-N 3.49Å; V575-Q579 VanDerWaalsContact O-N 3.1Å; V575-Q579 PolarHBondContact O-NE2 2.99Å
576	E	96.7	Very high	97.3	Very high	75 Å²	75	46.8 Å²	46.8	35%	0.35	24%	0.238	S	C	.	.	H	α-helix	trans	-76.1	-47.8	-176.3	-164.5	-168.5	161.3	0	0	110.5	G550 K551 E578 Q579 G580	G550-E576 VanDerWaalsContact CA-OE1 3.25Å; G550-E576 WeakPolarHBondContact CA-OE1 3.37Å; K551-E576 HydrophobicContact CB-CG 4.04Å; K551-E576 HydrophobicContact CG-CB 4.05Å; K551-E576 HydrophobicContact CG-CG 3.82Å; K551-E576 WeakPolarHBondContact CG-OE2 3.34Å; K551-E576 PolarHBondContact N-OE1 3.25Å; E576-E578 VanDerWaalsContact C-N 3.34Å; E576-Q579 PolarHBondContact O-N 2.94Å; E576-G580 PolarHBondContact O-N 3.19Å
577	E	97.1	Very high	97.5	Very high	5 Å²	5	49.7 Å²	49.7	2%	0.023	26%	0.258	C	S	.	.	H	α-helix	trans	-68.2	-31.5	173.2	64	-90.4	-147.2	0	0	112.5	K551 F555 V570 G572 D573 G574 Q579 S581 F588	K551-E577 VanDerWaalsContact NZ-CD 3.32Å; K551-E577 IonicContact NZ-OE1 2.46Å; K551-E577 IonicContact NZ-OE2 2.77Å; K551-E577 PolarHBondContact NZ-OE2 3.23Å; F555-E577 HydrophobicContact CE2-CB 4.28Å; F555-E577 HydrophobicContact CZ-CB 3.75Å; V570-E577 HydrophobicContact CG1-CB 3.86Å; V570-E577 HydrophobicContact CG1-CG 4.34Å; G572-E577 WeakPolarHBondContact CA-OE1 3.34Å; D573-E577 PolarHBondContact N-OE1 2.92Å; G574-E577 VanDerWaalsContact CA-OE1 3.24Å; G574-E577 WeakPolarHBondContact CA-OE1 3.39Å; G574-E577 PolarHBondContact N-OE1 3.28Å; E577-Q579 VanDerWaalsContact C-N 3.31Å; E577-Q579 PolarHBondContact O-N 3Å; E577-S581 WeakPolarHBondContact O-CB 3.37Å; E577-S581 PolarHBondContact O-N 2.69Å; E577-S581 PolarHBondContact O-OG 2.84Å; E577-F588 HydrophobicContact CB-CE2 4.43Å; E577-F588 HydrophobicContact CG-CE2 3.6Å; E577-F588 HydrophobicContact CG-CZ 4.05Å
578	E	98	Very high	97.5	Very high	45 Å²	45	48.9 Å²	48.9	21%	0.21	25%	0.248	C	C	.	.	H	α-helix	trans	-67.5	-32.5	173.1	-172.6	174.1	148.2	0	0	111.5	E576 S581 K582 F588 R590	E576-E578 VanDerWaalsContact C-N 3.34Å; E578-S581 WeakPolarHBondContact CA-OG 3.49Å; E578-S581 PolarHBondContact O-OG 3.33Å; E578-S581 VanDerWaalsContact O-OG 3.08Å; E578-K582 HydrophobicContact CG-CD 4.5Å; E578-K582 VanDerWaalsContact O-CD 3.22Å; E578-K582 WeakPolarHBondContact O-CD 3.49Å; E578-K582 WeakPolarHBondContact O-CE 3.49Å; E578-K582 WeakPolarHBondContact O-CG 3.4Å; E578-K582 PolarHBondContact O-N 3.11Å; E578-K582 IonicContact OE1-NZ 2.69Å; E578-K582 PolarHBondContact OE1-NZ 3.43Å; E578-F588 HydrophobicContact CB-CD1 3.9Å; E578-F588 HydrophobicContact CB-CE1 3.56Å; E578-F588 HydrophobicContact CB-CE2 4.32Å; E578-F588 HydrophobicContact CB-CG 4.38Å; E578-F588 HydrophobicContact CB-CZ 3.8Å; E578-F588 HydrophobicContact CG-CD1 3.55Å; E578-F588 HydrophobicContact CG-CE1 3.6Å; E578-F588 HydrophobicContact CG-CG 4.23Å; E578-F588 HydrophobicContact CG-CZ 4.35Å; E578-F588 WeakPolarHBondContact OE2-CE1 3.31Å; E578-R590 IonicContact OE2-CZ 3.68Å; E578-R590 IonicContact OE2-NE 3.85Å; E578-R590 IonicContact OE2-NH1 2.74Å; E578-R590 PolarHBondContact OE2-NH1 3.34Å
579	Q	97.5	Very high	97.6	Very high	129 Å²	129	51.4 Å²	51.4	60%	0.603	26%	0.258	S	S	*	.	H	α-helix	trans	-77.8	-45.7	174	-73.7	171.1	54.9	0	0	111.9	V575 E576 E577 S581 K582 K583	V575-Q579 WeakPolarHBondContact O-CB 3.37Å; V575-Q579 WeakPolarHBondContact O-CG 3.45Å; V575-Q579 PolarHBondContact O-N 3.49Å; V575-Q579 VanDerWaalsContact O-N 3.1Å; V575-Q579 PolarHBondContact O-NE2 2.99Å; E576-Q579 PolarHBondContact O-N 2.94Å; E577-Q579 VanDerWaalsContact C-N 3.31Å; E577-Q579 PolarHBondContact O-N 3Å; Q579-S581 PolarHBondContact O-N 3.47Å; Q579-K582 PolarHBondContact O-N 2.9Å; Q579-K583 PolarHBondContact O-N 3.04Å
580	G	96.9	Very high	97.5	Very high	2 Å²	2	56.2 Å²	56.2	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-41.3	177.9	0	0	0	0	0	113	E576 K583 H584	E576-G580 PolarHBondContact O-N 3.19Å; G580-K583 PolarHBondContact O-N 3.45Å; G580-H584 PolarHBondContact O-CD2 2.9Å; G580-H584 PolarHBondContact O-N 3.48Å
581	S	97.6	Very high	97.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-48.5	175.3	53.6	0	0	0	0	112.2	E577 E578 Q579 K583 H584 N585 M586	E577-S581 WeakPolarHBondContact O-CB 3.37Å; E577-S581 PolarHBondContact O-N 2.69Å; E577-S581 PolarHBondContact O-OG 2.84Å; E578-S581 WeakPolarHBondContact CA-OG 3.49Å; E578-S581 PolarHBondContact O-OG 3.33Å; E578-S581 VanDerWaalsContact O-OG 3.08Å; Q579-S581 PolarHBondContact O-N 3.47Å; S581-K583 VanDerWaalsContact C-N 3.31Å; S581-K583 PolarHBondContact O-N 3.01Å; S581-H584 CarbonylContact O-C 3.55Å; S581-H584 PolarHBondContact O-N 2.9Å; S581-N585 PolarHBondContact O-N 2.99Å; S581-M586 PolarHBondContact O-N 3.35Å
582	K	97.4	Very high	97.4	Very high	126 Å²	126	58.6 Å²	58.6	55%	0.548	29%	0.292	S	S	.	.	H	α-helix	trans	-56.9	-41.7	174.2	-72	169.5	-167.6	171.4	0	112.4	E578 Q579 H584 N585	E578-K582 HydrophobicContact CG-CD 4.5Å; E578-K582 VanDerWaalsContact O-CD 3.22Å; E578-K582 WeakPolarHBondContact O-CD 3.49Å; E578-K582 WeakPolarHBondContact O-CE 3.49Å; E578-K582 WeakPolarHBondContact O-CG 3.4Å; E578-K582 PolarHBondContact O-N 3.11Å; E578-K582 IonicContact OE1-NZ 2.69Å; E578-K582 PolarHBondContact OE1-NZ 3.43Å; Q579-K582 PolarHBondContact O-N 2.9Å; K582-H584 VanDerWaalsContact C-N 3.32Å; K582-H584 PolarHBondContact O-N 3.43Å; K582-N585 PolarHBondContact O-N 3.36Å
583	K	96.7	Very high	97.4	Very high	127 Å²	127	59.8 Å²	59.8	55%	0.552	30%	0.301	S	S	*	.	H	α-helix	trans	-64.2	-33.3	180	-162.1	-174.1	-168.4	179.1	0	113.4	E552 Q579 G580 S581	E552-K583 HydrophobicContact CG-CD 4.04Å; E552-K583 IonicContact OE1-NZ 3.72Å; E552-K583 PolarHBondContact OE1-NZ 3.24Å; E552-K583 WeakPolarHBondContact OE2-CD 3.49Å; E552-K583 WeakPolarHBondContact OE2-CE 3.37Å; E552-K583 IonicContact OE2-NZ 3.3Å; E552-K583 PolarHBondContact OE2-NZ 2.96Å; Q579-K583 PolarHBondContact O-N 3.04Å; G580-K583 PolarHBondContact O-N 3.45Å; S581-K583 VanDerWaalsContact C-N 3.31Å; S581-K583 PolarHBondContact O-N 3.01Å
584	H	96.1	Very high	97.4	Very high	45 Å²	45	58.9 Å²	58.9	21%	0.208	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	11.8	177.2	-59.2	-61.3	0	0	0	113.6	E552 E556 I559 G580 S581 K582 M586	E552-H584 WeakPolarHBondContact CG-NE2 3.42Å; E556-H584 IonicContact OE1-CE1 3.99Å; I559-H584 HydrophobicContact CD1-CB 4.1Å; G580-H584 PolarHBondContact O-CD2 2.9Å; G580-H584 PolarHBondContact O-N 3.48Å; S581-H584 CarbonylContact O-C 3.55Å; S581-H584 PolarHBondContact O-N 2.9Å; K582-H584 VanDerWaalsContact C-N 3.32Å; K582-H584 PolarHBondContact O-N 3.43Å; H584-M586 HydrophobicContact CB-CE 4.01Å; H584-M586 HydrophobicContact CB-CG 3.91Å; H584-M586 HydrophobicContact CB-SD 4.22Å; H584-M586 PolarHBondContact O-N 3.47Å
585	N	97.2	Very high	97.5	Very high	151 Å²	151	61.7 Å²	61.7	81%	0.807	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	28.4	-177.3	-58.8	107.4	0	0	0	114.8	S581 K582	S581-N585 PolarHBondContact O-N 2.99Å; K582-N585 PolarHBondContact O-N 3.36Å
586	M	98.1	Very high	97.6	Very high	14 Å²	14	59 Å²	59	7%	0.069	29%	0.294	C	S	.	.			trans	-86.2	131.4	177.3	-55.7	-170.8	-65.2	0	0	109.9	I343 F555 I559 Y568 V570 S581 H584 F588	I343-M586 HydrophobicContact CD1-CE 4.42Å; I343-M586 HydrophobicContact CD1-SD 4.28Å; F555-M586 HydrophobicContact CB-CE 3.83Å; F555-M586 HydrophobicContact CD2-CE 3.47Å; F555-M586 VanDerWaalsContact CD2-CE 3.47Å; F555-M586 HydrophobicContact CE2-CE 4.12Å; F555-M586 HydrophobicContact CG-CE 3.72Å; I559-M586 HydrophobicContact CD1-SD 3.99Å; I559-M586 HydrophobicContact CG1-SD 4.49Å; Y568-M586 WeakPolarHBondContact CB-SD 3.26Å; Y568-M586 HydrophobicContact CG-SD 3.97Å; V570-M586 HydrophobicContact CG2-CB 4.1Å; V570-M586 HydrophobicContact CG2-CE 3.52Å; V570-M586 HydrophobicContact CG2-SD 4.2Å; S581-M586 PolarHBondContact O-N 3.35Å; H584-M586 HydrophobicContact CB-CE 4.01Å; H584-M586 HydrophobicContact CB-CG 3.91Å; H584-M586 HydrophobicContact CB-SD 4.22Å; H584-M586 PolarHBondContact O-N 3.47Å; M586-F588 PolarHBondContact O-N 3.08Å
587	P	97.9	Very high	97.7	Very high	76 Å²	76	55.5 Å²	55.5	49%	0.494	28%	0.278	S	S	.	.			trans	-53	137.1	168.8	-29.6	36.2	0	0	0	112.5	Y568 V570	Y568-P587 WeakPolarHBondContact O-CD 3.49Å; V570-P587 PolarHBondContact N-O 2.86Å
588	F	98.4	Very high	97.8	Very high	49 Å²	49	60.7 Å²	60.7	22%	0.215	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.9	177.9	-176.6	-116.2	0	0	0	110.7	V570 G572 E577 E578 M586 R590	V570-F588 HydrophobicContact CB-CD2 4.01Å; V570-F588 HydrophobicContact CG1-CD2 3.85Å; V570-F588 HydrophobicContact CG1-CE2 4.1Å; V570-F588 CarbonylContact O-C 3.26Å; V570-F588 WeakPolarHBondContact O-CA 3.41Å; V570-F588 WeakPolarHBondContact O-CD2 3.33Å; G572-F588 VanDerWaalsContact O-CZ 3.24Å; G572-F588 WeakPolarHBondContact O-CZ 3.38Å; E577-F588 HydrophobicContact CB-CE2 4.43Å; E577-F588 HydrophobicContact CG-CE2 3.6Å; E577-F588 HydrophobicContact CG-CZ 4.05Å; E578-F588 HydrophobicContact CB-CD1 3.9Å; E578-F588 HydrophobicContact CB-CE1 3.56Å; E578-F588 HydrophobicContact CB-CE2 4.32Å; E578-F588 HydrophobicContact CB-CG 4.38Å; E578-F588 HydrophobicContact CB-CZ 3.8Å; E578-F588 HydrophobicContact CG-CD1 3.55Å; E578-F588 HydrophobicContact CG-CE1 3.6Å; E578-F588 HydrophobicContact CG-CG 4.23Å; E578-F588 HydrophobicContact CG-CZ 4.35Å; E578-F588 WeakPolarHBondContact OE2-CE1 3.31Å; M586-F588 PolarHBondContact O-N 3.08Å; F588-R590 HydrophobicContact CD1-CB 4.07Å; F588-R590 HydrophobicContact CE1-CB 3.56Å; F588-R590 HydrophobicContact CE1-CG 3.81Å; F588-R590 HydrophobicContact CZ-CB 4.32Å; F588-R590 HydrophobicContact CZ-CG 4.4Å
589	W	98.6	Very high	97.8	Very high	69 Å²	69	60.6 Å²	60.6	26%	0.261	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	100.6	171.7	-167.4	-75.8	0	0	0	109.2	V570 I571 G572 I591 D596 A599 L600 A603 L609	V570-W589 PolarHBondContact O-N 3.16Å; I571-W589 WeakPolarHBondContact CA-O 3.28Å; I571-W589 HydrophobicContact CG1-CB 4.17Å; G572-W589 PolarHBondContact N-O 3.44Å; W589-I591 PolarHBondContact O-N 2.93Å; W589-D596 PolarHBondContact NE1-O 3.26Å; W589-D596 VanDerWaalsContact NE1-O 3.13Å; W589-A599 HydrophobicContact CH2-CB 4.48Å; W589-A599 HydrophobicContact CZ2-CB 3.81Å; W589-L600 HydrophobicContact CD2-CD1 4.1Å; W589-L600 HydrophobicContact CG-CD1 4.15Å; W589-L600 HydrophobicContact CZ2-CB 4.17Å; W589-A603 HydrophobicContact CH2-CB 3.99Å; W589-A603 HydrophobicContact CZ3-CB 4.29Å; W589-L609 HydrophobicContact CD2-CD1 4.39Å; W589-L609 HydrophobicContact CE3-CD1 3.72Å; W589-L609 HydrophobicContact CE3-CD2 4.08Å; W589-L609 HydrophobicContact CE3-CG 4.5Å; W589-L609 HydrophobicContact CH2-CD1 4.26Å; W589-L609 HydrophobicContact CZ3-CD1 3.65Å; W589-L609 HydrophobicContact CZ3-CD2 4.09Å; W589-L609 HydrophobicContact CZ3-CG 4.29Å
590	R	98.4	Very high	97.8	Very high	107 Å²	107	54.5 Å²	54.5	40%	0.404	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	120.4	-178.6	-167.3	167	179.9	69.5	24.2	110.4	G572 D573 G574 E578 F588	G572-R590 CarbonylContact O-C 3.58Å; G572-R590 WeakPolarHBondContact O-CA 3.41Å; D573-R590 VanDerWaalsContact O-CZ 3.25Å; D573-R590 PolarHBondContact O-NH1 2.9Å; D573-R590 PolarHBondContact O-NH2 3.35Å; G574-R590 PolarHBondContact O-NH1 3.15Å; E578-R590 IonicContact OE2-CZ 3.68Å; E578-R590 IonicContact OE2-NE 3.85Å; E578-R590 IonicContact OE2-NH1 2.74Å; E578-R590 PolarHBondContact OE2-NH1 3.34Å; F588-R590 HydrophobicContact CD1-CB 4.07Å; F588-R590 HydrophobicContact CE1-CB 3.56Å; F588-R590 HydrophobicContact CE1-CG 3.81Å; F588-R590 HydrophobicContact CZ-CB 4.32Å; F588-R590 HydrophobicContact CZ-CG 4.4Å
591	I	98.6	Very high	97.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.29	C	S	.	.			trans	-89.6	133.5	166.4	-59.8	-55.4	0	0	0	108.1	T349 W495 I571 G572 D573 W589 D596 L597 L600	T349-I591 HydrophobicContact CG2-CB 4.48Å; T349-I591 HydrophobicContact CG2-CG1 4.19Å; W495-I591 HydrophobicContact CH2-CG2 4.08Å; W495-I591 HydrophobicContact CZ2-CG2 3.7Å; I571-I591 HydrophobicContact CG2-CD1 4.23Å; I571-I591 HydrophobicContact CG2-CG1 3.72Å; G572-I591 PolarHBondContact O-N 3.37Å; D573-I591 VanDerWaalsContact CA-O 3.26Å; D573-I591 WeakPolarHBondContact CA-O 3.28Å; D573-I591 WeakPolarHBondContact CB-O 3.17Å; W589-I591 PolarHBondContact O-N 2.93Å; I591-D596 HydrophobicContact CD1-CB 3.9Å; I591-L597 HydrophobicContact CD1-CD2 3.63Å; I591-L597 HydrophobicContact CD1-CG 4Å; I591-L597 HydrophobicContact CG1-CD2 4.02Å; I591-L597 HydrophobicContact CG2-CD2 4.23Å; I591-L597 HydrophobicContact CG2-CG 4.05Å; I591-L600 HydrophobicContact CD1-CD2 4.31Å
592	S	96.8	Very high	97.8	Very high	51 Å²	51	61.7 Å²	61.7	36%	0.357	31%	0.314	S	S	.	.			trans	-139.5	-15.4	172.1	80.1	0	0	0	0	112.6	R364 D596	R364-S592 PolarHBondContact NH1-O 3.26Å; R364-S592 PolarHBondContact NH2-O 3.08Å; S592-D596 WeakPolarHBondContact CA-OD2 3.24Å; S592-D596 WeakPolarHBondContact CB-OD2 3.26Å; S592-D596 PolarHBondContact N-OD2 3.12Å; S592-D596 PolarHBondContact OG-OD2 3.39Å
593	S	97.7	Very high	97.8	Very high	25 Å²	25	56.3 Å²	56.3	18%	0.175	29%	0.293	C	S	.	.	S	Bend	trans	-161	166.6	-171.2	70.4	0	0	0	0	110.9	S595 D596	S593-S595 PolarHBondContact O-N 3.44Å; S593-S595 VanDerWaalsContact O-N 3.15Å; S593-S595 PolarHBondContact OG-N 2.98Å; S593-D596 PolarHBondContact N-OD2 2.98Å; S593-D596 PolarHBondContact O-N 3.4Å; S593-D596 PolarHBondContact OG-OD2 2.83Å
594	H	98.4	Very high	97.7	Very high	27 Å²	27	50.2 Å²	50.2	13%	0.125	27%	0.267	C	S	.	.	H	α-helix	trans	-53.9	-32.5	170.2	-49	73.7	0	0	0	112.5	Y361 Y365 T492 W495 L498 D596 L597 M598	Y361-H594 PolarHBondContact OH-CE1 3.28Å; Y361-H594 VanDerWaalsContact OH-CE1 3.22Å; Y361-H594 PolarHBondContact OH-NE2 3.46Å; Y365-H594 AromaticContact CE1-CE1 3.74Å; Y365-H594 AromaticContact CE1-ND1 3.79Å; T492-H594 PolarHBondContact O-NE2 3.32Å; W495-H594 AromaticContact CE3-CD2 3.86Å; W495-H594 AromaticContact CE3-CE1 3.6Å; W495-H594 AromaticContact CE3-CG 3.94Å; W495-H594 AromaticContact CE3-ND1 3.8Å; W495-H594 AromaticContact CE3-NE2 3.62Å; W495-H594 AromaticContact CZ3-ND1 3.9Å; L498-H594 HydrophobicContact CD2-CB 4.03Å; L498-H594 VanDerWaalsContact CD2-O 3.27Å; L498-H594 WeakPolarHBondContact CD2-O 3.19Å; H594-D596 PolarHBondContact O-N 3.39Å; H594-L597 PolarHBondContact O-N 2.68Å; H594-M598 HydrophobicContact CB-CE 4.46Å; H594-M598 WeakPolarHBondContact O-CG 3.04Å; H594-M598 PolarHBondContact O-N 2.66Å
595	S	98.2	Very high	97.5	Very high	78 Å²	78	51.7 Å²	51.7	55%	0.545	28%	0.277	S	S	.	.	H	α-helix	trans	-63.1	-32.4	178.9	-166.7	0	0	0	0	112.5	S593 M598 A599	S593-S595 PolarHBondContact O-N 3.44Å; S593-S595 VanDerWaalsContact O-N 3.15Å; S593-S595 PolarHBondContact OG-N 2.98Å; S595-M598 PolarHBondContact O-N 2.89Å; S595-A599 WeakPolarHBondContact O-CB 3.33Å; S595-A599 PolarHBondContact O-N 3.48Å
596	D	98.4	Very high	97.3	Very high	39 Å²	39	48.4 Å²	48.4	21%	0.209	26%	0.258	C	S	.	.	H	α-helix	trans	-76.7	-32.9	-178	-49.5	-49	0	0	0	111.1	W589 I591 S592 S593 H594 L600	W589-D596 PolarHBondContact NE1-O 3.26Å; W589-D596 VanDerWaalsContact NE1-O 3.13Å; I591-D596 HydrophobicContact CD1-CB 3.9Å; S592-D596 WeakPolarHBondContact CA-OD2 3.24Å; S592-D596 WeakPolarHBondContact CB-OD2 3.26Å; S592-D596 PolarHBondContact N-OD2 3.12Å; S592-D596 PolarHBondContact OG-OD2 3.39Å; S593-D596 PolarHBondContact N-OD2 2.98Å; S593-D596 PolarHBondContact O-N 3.4Å; S593-D596 PolarHBondContact OG-OD2 2.83Å; H594-D596 PolarHBondContact O-N 3.39Å; D596-L600 VanDerWaalsContact O-CB 3.31Å; D596-L600 WeakPolarHBondContact O-CB 3.35Å; D596-L600 PolarHBondContact O-N 3.45Å
597	L	98.4	Very high	96.8	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-72.3	-36.2	170.3	-68.1	170.4	0	0	0	112.1	W495 L498 A499 I591 H594 L600 H601	W495-L597 HydrophobicContact CD2-CD1 4.02Å; W495-L597 HydrophobicContact CG-CD1 4.29Å; W495-L597 HydrophobicContact CZ2-CD1 3.94Å; L498-L597 HydrophobicContact CD2-CB 3.63Å; L498-L597 HydrophobicContact CD2-CD1 4.4Å; L498-L597 HydrophobicContact CG-CB 3.78Å; A499-L597 HydrophobicContact CB-CD1 4.2Å; A499-L597 HydrophobicContact CB-CD2 4.11Å; I591-L597 HydrophobicContact CD1-CD2 3.63Å; I591-L597 HydrophobicContact CD1-CG 4Å; I591-L597 HydrophobicContact CG1-CD2 4.02Å; I591-L597 HydrophobicContact CG2-CD2 4.23Å; I591-L597 HydrophobicContact CG2-CG 4.05Å; H594-L597 PolarHBondContact O-N 2.68Å; L597-L600 PolarHBondContact O-N 3.1Å; L597-H601 PolarHBondContact O-N 2.9Å
598	M	97.8	Very high	96	Very high	113 Å²	113	58.8 Å²	58.8	56%	0.557	29%	0.294	S	S	*	.	H	α-helix	trans	-64.6	-43.3	171.6	-69.2	-174.2	-164.9	0	0	111.3	L498 H594 S595 H601 H602	L498-M598 HydrophobicContact CD1-CG 3.8Å; L498-M598 HydrophobicContact CD2-CE 4.12Å; L498-M598 HydrophobicContact CD2-CG 3.67Å; L498-M598 HydrophobicContact CG-CG 4.36Å; H594-M598 HydrophobicContact CB-CE 4.46Å; H594-M598 WeakPolarHBondContact O-CG 3.04Å; H594-M598 PolarHBondContact O-N 2.66Å; S595-M598 PolarHBondContact O-N 2.89Å; M598-H601 PolarHBondContact O-N 3.38Å; M598-H602 WeakPolarHBondContact O-CB 3.46Å; M598-H602 PolarHBondContact O-N 3.22Å
599	A	98.2	Very high	95.1	Very high	44 Å²	44	57.9 Å²	57.9	36%	0.364	29%	0.291	S	S	.	.	H	α-helix	trans	-65.9	-39.8	176.6	0	0	0	0	0	112	W589 S595 H602 A603	W589-A599 HydrophobicContact CH2-CB 4.48Å; W589-A599 HydrophobicContact CZ2-CB 3.81Å; S595-A599 WeakPolarHBondContact O-CB 3.33Å; S595-A599 PolarHBondContact O-N 3.48Å; A599-H602 PolarHBondContact O-N 3.21Å; A599-A603 WeakPolarHBondContact O-CB 3.38Å; A599-A603 PolarHBondContact O-N 2.77Å
600	L	98.2	Very high	95	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.9	-49.4	173.7	178	56.3	0	0	0	111.3	W344 A502 I571 W589 I591 D596 L597 H602 A603 L604 L609	W344-L600 HydrophobicContact CH2-CD2 3.54Å; W344-L600 HydrophobicContact CZ2-CD2 4.33Å; W344-L600 HydrophobicContact CZ3-CD2 3.94Å; A502-L600 HydrophobicContact CB-CD2 4.38Å; A502-L600 HydrophobicContact CB-CG 4.3Å; I571-L600 HydrophobicContact CD1-CD1 4.36Å; I571-L600 HydrophobicContact CD1-CD2 4.03Å; I571-L600 HydrophobicContact CG2-CD2 3.99Å; W589-L600 HydrophobicContact CD2-CD1 4.1Å; W589-L600 HydrophobicContact CG-CD1 4.15Å; W589-L600 HydrophobicContact CZ2-CB 4.17Å; I591-L600 HydrophobicContact CD1-CD2 4.31Å; D596-L600 VanDerWaalsContact O-CB 3.31Å; D596-L600 WeakPolarHBondContact O-CB 3.35Å; D596-L600 PolarHBondContact O-N 3.45Å; L597-L600 PolarHBondContact O-N 3.1Å; L600-H602 VanDerWaalsContact C-N 3.35Å; L600-H602 PolarHBondContact O-N 3.37Å; L600-A603 PolarHBondContact O-N 3.4Å; L600-L604 HydrophobicContact CD1-CD1 4.02Å; L600-L604 HydrophobicContact CD1-CG 4.33Å; L600-L604 HydrophobicContact CG-CD1 4.04Å; L600-L604 WeakPolarHBondContact O-CB 3.35Å; L600-L604 WeakPolarHBondContact O-CD1 3.48Å; L600-L604 VanDerWaalsContact O-CG 3.3Å; L600-L604 WeakPolarHBondContact O-CG 3.33Å; L600-L604 PolarHBondContact O-N 2.87Å; L600-L609 HydrophobicContact CD1-CD1 3.55Å
601	H	97.3	Very high	94.8	Very high	40 Å²	40	54.7 Å²	54.7	19%	0.185	29%	0.287	C	S	.	.	H	α-helix	trans	-56.4	-48.8	175.6	-173.2	-76.1	0	0	0	111.8	K501 L597 M598 A603 L604 D605	K501-H601 WeakPolarHBondContact CB-CD2 3.29Å; K501-H601 WeakPolarHBondContact CB-NE2 3.37Å; L597-H601 PolarHBondContact O-N 2.9Å; M598-H601 PolarHBondContact O-N 3.38Å; H601-A603 PolarHBondContact O-N 2.79Å; H601-L604 WeakPolarHBondContact O-CB 3.49Å; H601-L604 PolarHBondContact O-N 2.76Å; H601-D605 VanDerWaalsContact CE1-CG 3.45Å; H601-D605 IonicContact CE1-OD1 3.87Å; H601-D605 PolarHBondContact CE1-OD1 2.99Å; H601-D605 IonicContact CE1-OD2 3.52Å; H601-D605 PolarHBondContact CE1-OD2 2.93Å; H601-D605 IonicContact CG-OD2 3.18Å; H601-D605 IonicContact ND1-OD1 3.76Å; H601-D605 IonicContact ND1-OD2 2.71Å; H601-D605 PolarHBondContact ND1-OD2 3.34Å; H601-D605 VanDerWaalsContact O-CG 3.32Å; H601-D605 PolarHBondContact O-N 3.37Å
602	H	97.1	Very high	94.6	Very high	113 Å²	113	57.7 Å²	57.7	52%	0.523	30%	0.303	S	S	.	.	H	α-helix	trans	-66.4	-35.8	-177.4	-172.3	44.3	0	0	0	113.1	M598 A599 L600 D605 L606	M598-H602 WeakPolarHBondContact O-CB 3.46Å; M598-H602 PolarHBondContact O-N 3.22Å; A599-H602 PolarHBondContact O-N 3.21Å; L600-H602 VanDerWaalsContact C-N 3.35Å; L600-H602 PolarHBondContact O-N 3.37Å; H602-D605 PolarHBondContact O-N 3.26Å; H602-L606 VanDerWaalsContact CE1-CD1 3.5Å; H602-L606 WeakPolarHBondContact CE1-CD1 3.49Å; H602-L606 WeakPolarHBondContact O-CG 3.45Å; H602-L606 PolarHBondContact O-N 2.63Å
603	A	96.7	Very high	94.4	Very high	13 Å²	13	58.1 Å²	58.1	11%	0.107	30%	0.3	C	S	.	.	H	α-helix	trans	-71.2	-31.6	175	0	0	0	0	0	112.3	W589 A599 L600 H601 E607 Y608 L609	W589-A603 HydrophobicContact CH2-CB 3.99Å; W589-A603 HydrophobicContact CZ3-CB 4.29Å; A599-A603 WeakPolarHBondContact O-CB 3.38Å; A599-A603 PolarHBondContact O-N 2.77Å; L600-A603 PolarHBondContact O-N 3.4Å; H601-A603 PolarHBondContact O-N 2.79Å; A603-E607 PolarHBondContact O-N 3.35Å; A603-Y608 PolarHBondContact O-N 2.68Å; A603-L609 HydrophobicContact CB-CD1 3.53Å; A603-L609 HydrophobicContact CB-CG 3.83Å
604	L	95.6	Very high	94.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-69.7	-42.8	169.9	-71.2	163.1	0	0	0	112.1	F342 A502 L505 I506 R509 L600 H601 L606 E607 L609	F342-L604 HydrophobicContact CE1-CD2 3.83Å; F342-L604 HydrophobicContact CZ-CD2 3.73Å; A502-L604 HydrophobicContact CB-CD1 3.78Å; L505-L604 HydrophobicContact CD2-CB 3.65Å; L505-L604 HydrophobicContact CG-CB 4.42Å; I506-L604 HydrophobicContact CD1-CD1 3.79Å; I506-L604 HydrophobicContact CD1-CD2 4.1Å; I506-L604 HydrophobicContact CG1-CD1 3.99Å; I506-L604 HydrophobicContact CG1-CD2 3.8Å; R509-L604 VanDerWaalsContact CZ-O 3.31Å; R509-L604 PolarHBondContact NH1-O 2.94Å; R509-L604 PolarHBondContact NH2-O 3.23Å; L600-L604 HydrophobicContact CD1-CD1 4.02Å; L600-L604 HydrophobicContact CD1-CG 4.33Å; L600-L604 HydrophobicContact CG-CD1 4.04Å; L600-L604 WeakPolarHBondContact O-CB 3.35Å; L600-L604 WeakPolarHBondContact O-CD1 3.48Å; L600-L604 VanDerWaalsContact O-CG 3.3Å; L600-L604 WeakPolarHBondContact O-CG 3.33Å; L600-L604 PolarHBondContact O-N 2.87Å; H601-L604 WeakPolarHBondContact O-CB 3.49Å; H601-L604 PolarHBondContact O-N 2.76Å; L604-L606 PolarHBondContact O-N 3.31Å; L604-E607 PolarHBondContact O-N 2.98Å; L604-E607 VanDerWaalsContact O-N 3.14Å; L604-L609 HydrophobicContact CD2-CB 3.89Å; L604-L609 HydrophobicContact CG-CB 4.33Å; L604-L609 HydrophobicContact CG-CD1 4.39Å
605	D	92.4	Very high	94	Very high	76 Å²	76	62.4 Å²	62.4	41%	0.406	32%	0.32	S	S	.	.	H	α-helix	trans	-55.5	-39.5	176.1	-72.6	-41.5	0	0	0	111.6	L505 H601 H602	L505-D605 WeakPolarHBondContact CD2-OD1 3.17Å; H601-D605 VanDerWaalsContact CE1-CG 3.45Å; H601-D605 IonicContact CE1-OD1 3.87Å; H601-D605 PolarHBondContact CE1-OD1 2.99Å; H601-D605 IonicContact CE1-OD2 3.52Å; H601-D605 PolarHBondContact CE1-OD2 2.93Å; H601-D605 IonicContact CG-OD2 3.18Å; H601-D605 IonicContact ND1-OD1 3.76Å; H601-D605 IonicContact ND1-OD2 2.71Å; H601-D605 PolarHBondContact ND1-OD2 3.34Å; H601-D605 VanDerWaalsContact O-CG 3.32Å; H601-D605 PolarHBondContact O-N 3.37Å; H602-D605 PolarHBondContact O-N 3.26Å
606	L	92.6	Very high	93.6	Very high	81 Å²	81	61.3 Å²	61.3	42%	0.424	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	8.6	-178	-62.9	-178.9	0	0	0	114.2	H602 L604 Y608	H602-L606 VanDerWaalsContact CE1-CD1 3.5Å; H602-L606 WeakPolarHBondContact CE1-CD1 3.49Å; H602-L606 WeakPolarHBondContact O-CG 3.45Å; H602-L606 PolarHBondContact O-N 2.63Å; L604-L606 PolarHBondContact O-N 3.31Å; L606-Y608 HydrophobicContact CB-CD1 4.48Å; L606-Y608 HydrophobicContact CB-CD2 3.76Å; L606-Y608 HydrophobicContact CB-CE1 4.34Å; L606-Y608 HydrophobicContact CB-CE2 3.6Å; L606-Y608 HydrophobicContact CB-CG 4.21Å; L606-Y608 HydrophobicContact CD1-CD2 4.27Å; L606-Y608 HydrophobicContact CD1-CE2 3.51Å; L606-Y608 HydrophobicContact CG-CE2 4.22Å; L606-Y608 WeakPolarHBondContact O-CD1 3.22Å; L606-Y608 PolarHBondContact O-N 2.81Å; L606-Y608 VanDerWaalsContact O-N 3.16Å
607	E	86.3	Confident	93.3	Very high	139 Å²	139	63 Å²	63	65%	0.65	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	24.9	177.2	-66.2	-179.3	172.3	0	0	114.7	R509 A603 L604 L609	R509-E607 IonicContact CZ-OE1 2.81Å; R509-E607 IonicContact NH2-OE1 2.7Å; R509-E607 PolarHBondContact NH2-OE1 2.68Å; A603-E607 PolarHBondContact O-N 3.35Å; L604-E607 PolarHBondContact O-N 2.98Å; L604-E607 VanDerWaalsContact O-N 3.14Å; E607-L609 VanDerWaalsContact C-N 3.31Å
608	Y	83.1	Confident	92.9	Very high	170 Å²	170	68.2 Å²	68.2	67%	0.667	34%	0.336	S	S	*	.			trans	-79.2	-12.7	173.9	-59.5	-33	0	0	0	113.4	A603 L606	A603-Y608 PolarHBondContact O-N 2.68Å; L606-Y608 HydrophobicContact CB-CD1 4.48Å; L606-Y608 HydrophobicContact CB-CD2 3.76Å; L606-Y608 HydrophobicContact CB-CE1 4.34Å; L606-Y608 HydrophobicContact CB-CE2 3.6Å; L606-Y608 HydrophobicContact CB-CG 4.21Å; L606-Y608 HydrophobicContact CD1-CD2 4.27Å; L606-Y608 HydrophobicContact CD1-CE2 3.51Å; L606-Y608 HydrophobicContact CG-CE2 4.22Å; L606-Y608 WeakPolarHBondContact O-CD1 3.22Å; L606-Y608 PolarHBondContact O-N 2.81Å; L606-Y608 VanDerWaalsContact O-N 3.16Å
609	L	79	Confident	92.4	Very high	29 Å²	29	64.1 Å²	64.1	15%	0.152	32%	0.316	C	S	.	.			trans	-128.6	0	-172.8	-72.3	-178.5	0	0	0	114.4	R340 F342 W589 L600 A603 L604 E607	R340-L609 WeakPolarHBondContact CD-OXT 3.37Å; R340-L609 PolarHBondContact NE-OXT 3.14Å; R340-L609 PolarHBondContact NH1-OXT 2.79Å; F342-L609 HydrophobicContact CE1-CB 4.41Å; F342-L609 VanDerWaalsContact CZ-OXT 3.3Å; F342-L609 WeakPolarHBondContact CZ-OXT 3.21Å; W589-L609 HydrophobicContact CD2-CD1 4.39Å; W589-L609 HydrophobicContact CE3-CD1 3.72Å; W589-L609 HydrophobicContact CE3-CD2 4.08Å; W589-L609 HydrophobicContact CE3-CG 4.5Å; W589-L609 HydrophobicContact CH2-CD1 4.26Å; W589-L609 HydrophobicContact CZ3-CD1 3.65Å; W589-L609 HydrophobicContact CZ3-CD2 4.09Å; W589-L609 HydrophobicContact CZ3-CG 4.29Å; L600-L609 HydrophobicContact CD1-CD1 3.55Å; A603-L609 HydrophobicContact CB-CD1 3.53Å; A603-L609 HydrophobicContact CB-CG 3.83Å; L604-L609 HydrophobicContact CD2-CB 3.89Å; L604-L609 HydrophobicContact CG-CB 4.33Å; L604-L609 HydrophobicContact CG-CD1 4.39Å; E607-L609 VanDerWaalsContact C-N 3.31Å

Retrieved 609 of 609 residues in 555 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).