A0A087Y3C6_POEFO Loading...

Septin 9a

AlphaFold DB , UniProt , Accession A0A087Y3C6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 632 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.5	Very low	39.4	Very low	235 Å²	235	157.3 Å²	157.3	100%	1.158	82%	0.818	S	S	*	*				0	148.6	0	-75	175	158.8	0	0	109.3
2	K	35.7	Very low	39.1	Very low	188 Å²	188	154.6 Å²	154.6	82%	0.817	82%	0.823	S	S	*	*			trans	49.7	115.9	156.7	-69	176.9	-178.7	175.4	0	118.4
3	K	39.2	Very low	38.6	Very low	189 Å²	189	149.5 Å²	149.5	82%	0.822	82%	0.815	S	S	*	*				70.6	140.8	94.5	-71.1	-162.7	176	-169.6	0	114.5
4	T	43	Very low	38.3	Very low	116 Å²	116	155.9 Å²	155.9	71%	0.712	82%	0.821	S	S	*	*			cis	-167.4	156.5	0.9	13.3	0	0	0	0	113.1
5	S	40.8	Very low	38	Very low	99 Å²	99	154.2 Å²	154.2	69%	0.692	82%	0.82	S	S	*	*			trans	49.1	111.1	147.4	62.4	0	0	0	0	124.3
6	Y	43.6	Very low	37.7	Very low	224 Å²	224	159.4 Å²	159.4	88%	0.878	83%	0.825	S	S	*	*				28	163.5	103.4	-76.5	-54.6	0	0	0	122.7
7	P	63.5	Low	37.5	Very low	110 Å²	110	164 Å²	164	71%	0.714	83%	0.829	S	S	*	*			cis	-143.6	-172.6	-3	25.2	2.1	0	0	0	118.3
8	V	36.9	Very low	37.3	Very low	123 Å²	123	161 Å²	161	75%	0.745	82%	0.821	S	S	*	*			trans	119.2	104.7	141	-172.8	0	0	0	0	120.9
9	R	34.1	Very low	37.2	Very low	238 Å²	238	160.2 Å²	160.2	90%	0.898	81%	0.813	S	S	*	*			trans	50.7	137	141.3	-70.5	-177.6	168.8	176.4	-3.2	126.1
10	S	29.6	Very low	36.9	Very low	125 Å²	125	161.8 Å²	161.8	87%	0.874	81%	0.809	S	S	*	*			trans	-165.4	176.1	145.9	-79.8	0	0	0	0	108
11	A	35.5	Very low	36.7	Very low	83 Å²	83	161 Å²	161	69%	0.686	80%	0.803	S	S	*	*			cis	-176	157.2	-43.6	0	0	0	0	0	108.5
12	S	35.4	Very low	36.9	Very low	125 Å²	125	156.3 Å²	156.3	87%	0.874	78%	0.781	S	S	*	*			trans	65.9	162.3	161.1	-70.2	0	0	0	0	120
13	A	33.7	Very low	36.7	Very low	88 Å²	88	153.7 Å²	153.7	73%	0.727	78%	0.781	S	S	*	*			cis	-164.6	137.1	-25.3	0	0	0	0	0	115.5
14	R	33.8	Very low	36.6	Very low	239 Å²	239	149.6 Å²	149.6	90%	0.902	78%	0.776	S	S	*	*				46.5	131.5	128.6	-161.2	-179.8	-168	-179	6.1	124.6
15	T	33.8	Very low	37	Very low	131 Å²	131	150 Å²	150	80%	0.804	78%	0.78	S	S	*	*			trans	-164.1	167.4	150.9	4.3	0	0	0	0	109.3
16	R	32.4	Very low	36.8	Very low	238 Å²	238	150.9 Å²	150.9	90%	0.898	78%	0.782	S	S	*	*			cis	-138.3	-105.8	-11.9	-161.4	173.2	-171.6	176.8	2.5	111.8
17	R	35.7	Very low	36.4	Very low	237 Å²	237	148 Å²	148	89%	0.894	78%	0.781	S	S	*	*			trans	-164.6	166.7	179.7	-102.3	178.2	174.5	173.5	-3.4	108.8
18	T	34	Very low	35.2	Very low	110 Å²	110	151.9 Å²	151.9	68%	0.675	79%	0.787	S	S	*	*				-165.1	149.7	55.8	41.5	0	0	0	0	114.9
19	E	34.4	Very low	35	Very low	145 Å²	145	158 Å²	158	68%	0.678	80%	0.796	S	S	*	*			trans	62	152.1	150.3	-68.9	174.1	-128.4	0	0	120.3
20	R	31.5	Very low	35.3	Very low	192 Å²	192	151.6 Å²	151.6	73%	0.725	79%	0.788	S	S	*	*			cis	-152.7	144.9	0.9	-138.4	-178.1	-102.8	-155.8	-5.7	112.7
21	E	33.4	Very low	35.4	Very low	146 Å²	146	155.2 Å²	155.2	68%	0.682	79%	0.788	S	S	*	*			trans	47.3	136.2	144.3	-77.1	174.5	143.4	0	0	127.2
22	I	34.4	Very low	35.5	Very low	137 Å²	137	159.8 Å²	159.8	70%	0.703	80%	0.795	S	S	*	*			trans	72.5	137.8	133.4	-69.1	172.6	0	0	0	119
23	T	32.3	Very low	35.5	Very low	132 Å²	132	160.6 Å²	160.6	81%	0.81	80%	0.795	S	S	*	*			cis	-160.4	178.6	-13.5	28	0	0	0	0	110.3
24	S	36.4	Very low	35.5	Very low	103 Å²	103	164.8 Å²	164.8	72%	0.72	80%	0.799	S	S	*	*			trans	-119.6	150.3	168	58.5	0	0	0	0	113.2
25	P	52.4	Low	35.6	Very low	124 Å²	124	159.8 Å²	159.8	81%	0.805	79%	0.79	S	S	*	*				-146.7	-162.6	109.9	39	-23.6	0	0	0	113.9
26	T	35	Very low	35.4	Very low	118 Å²	118	158.9 Å²	158.9	72%	0.724	79%	0.785	S	S	*	*				165	146.4	-62.7	-77.6	0	0	0	0	112
27	L	35.6	Very low	35.4	Very low	164 Å²	164	154.2 Å²	154.2	86%	0.859	78%	0.778	S	S	*	*			trans	84.2	164	165.4	-88.5	170	0	0	0	121.9
28	K	38.5	Very low	35.2	Very low	192 Å²	192	148 Å²	148	84%	0.835	77%	0.766	S	S	*	*			trans	-108.3	156.1	-164.2	-43.4	166.6	180	177.2	0	112.9
29	R	33.4	Very low	35	Very low	251 Å²	251	149 Å²	149	95%	0.947	77%	0.772	S	S	*	*				-164.9	168.9	124.4	-127.5	174.6	176	151.6	-2.1	113.4
30	S	40.2	Very low	34.9	Very low	103 Å²	103	148.4 Å²	148.4	72%	0.72	78%	0.779	S	S	*	*			trans	-116	158.9	-178.8	49.8	0	0	0	0	111.4
31	F	31.9	Very low	34.9	Very low	202 Å²	202	147.6 Å²	147.6	89%	0.886	78%	0.783	S	S	*	*			trans	-159.1	156.1	159.7	-135.2	-94.7	0	0	0	111.3
32	E	38.2	Very low	35.1	Very low	178 Å²	178	146.1 Å²	146.1	83%	0.832	79%	0.786	S	S	*	*			trans	-119.5	147.6	178.8	-62.7	164.5	121.2	0	0	110.1
33	V	34.6	Very low	35	Very low	142 Å²	142	144.6 Å²	144.6	86%	0.861	79%	0.788	S	S	*	*			trans	-154.4	137.1	153	-140.7	0	0	0	0	110.3
34	E	33.6	Very low	35	Very low	176 Å²	176	144.1 Å²	144.1	82%	0.822	79%	0.787	S	S	*	*			trans	-85.5	178.7	159.2	-65.1	172.9	116.4	0	0	108.5
35	D	35	Very low	34.7	Very low	134 Å²	134	147.3 Å²	147.3	72%	0.717	80%	0.795	S	S	*	*			cis	-164.1	-173.7	21	-156.3	-12.7	0	0	0	111.1
36	T	31.4	Very low	33.7	Very low	112 Å²	112	146.7 Å²	146.7	69%	0.687	79%	0.794	S	S	*	*			trans	79	95.8	155.1	43	0	0	0	0	122.1
37	D	31.7	Very low	33.4	Very low	141 Å²	141	152.3 Å²	152.3	75%	0.754	80%	0.801	S	S	*	*				110.8	145	102	-125.2	-19.6	0	0	0	124.6
38	T	30.5	Very low	33	Very low	105 Å²	105	154.9 Å²	154.9	64%	0.644	80%	0.8	S	S	*	*			trans	76.1	105.8	158.2	59.2	0	0	0	0	125
39	T	29.9	Very low	32.7	Very low	131 Å²	131	151.3 Å²	151.3	80%	0.804	79%	0.794	S	S	*	*			trans	68.7	144.8	142.3	68	0	0	0	0	119.4
40	T	32.5	Very low	32.5	Very low	134 Å²	134	146.3 Å²	146.3	82%	0.822	79%	0.792	S	S	*	*			cis	-149.3	158.8	32.5	-54.4	0	0	0	0	113.2
41	H	32.3	Very low	31.9	Very low	174 Å²	174	148.7 Å²	148.7	81%	0.806	80%	0.796	S	S	*	*			trans	-86	164.9	-179	-92.3	-52.2	0	0	0	113.8
42	P	38.3	Very low	32.8	Very low	115 Å²	115	143.6 Å²	143.6	75%	0.747	78%	0.784	S	S	*	*				-152.2	154.1	56.1	40.5	-18.2	0	0	0	122
43	S	30.8	Very low	32.4	Very low	106 Å²	106	142.1 Å²	142.1	74%	0.741	78%	0.781	S	S	*	*			trans	52.5	118.8	137.2	-55	0	0	0	0	123.9
44	P	33.6	Very low	32.2	Very low	122 Å²	122	145.5 Å²	145.5	79%	0.792	78%	0.778	S	S	*	*			trans	-111.9	134.5	155.9	36.4	-26.2	0	0	0	114
45	L	30	Very low	32	Very low	169 Å²	169	141.8 Å²	141.8	89%	0.885	77%	0.772	S	S	*	*			trans	-148.7	145	169.6	-75.9	-179.9	0	0	0	107.8
46	S	30.3	Very low	31.7	Very low	112 Å²	112	139.8 Å²	139.8	78%	0.783	77%	0.768	S	S	*	*			cis	-145	169.1	0.3	-82	0	0	0	0	109.9
47	R	28.1	Very low	31.6	Very low	235 Å²	235	140.5 Å²	140.5	89%	0.887	77%	0.772	S	S	*	*			trans	-136.2	148.6	168.1	179	-179.2	-86.3	-143.1	1.4	111.7
48	R	29	Very low	31.6	Very low	218 Å²	218	138.3 Å²	138.3	82%	0.823	77%	0.768	S	S	*	*			trans	84.4	102.9	162	-98.8	-172.5	172.1	164.5	-2	119.4
49	T	31	Very low	31.6	Very low	117 Å²	117	138.5 Å²	138.5	72%	0.718	77%	0.774	S	S	*	*				45.7	132.4	118.1	60.9	0	0	0	0	121.1
50	T	29.2	Very low	31.6	Very low	146 Å²	146	138 Å²	138	90%	0.896	77%	0.77	S	S	*	*				-144.7	149.2	122.9	24.5	0	0	0	0	112.2
51	N	27.2	Very low	31.6	Very low	153 Å²	153	137.6 Å²	137.6	82%	0.818	77%	0.768	S	S	*	*			trans	-132.7	168.9	164.2	-128.9	-4.3	0	0	0	103.9
52	P	51.5	Low	31.6	Very low	95 Å²	95	135.1 Å²	135.1	62%	0.617	77%	0.771	S	S	*	*			cis	-144.1	-163.6	-12.1	34.9	-11.4	0	0	0	114.3
53	L	30.5	Very low	31.5	Very low	148 Å²	148	138.6 Å²	138.6	78%	0.775	78%	0.777	S	S	*	*			trans	90.8	139.6	145.6	-75.4	170.4	0	0	0	124
54	R	30.7	Very low	31.4	Very low	213 Å²	213	145.2 Å²	145.2	80%	0.804	79%	0.786	S	S	*	*			trans	70	109.1	153.7	-77.5	173.9	174.9	-94.3	1.3	117.9
55	S	28.2	Very low	31.3	Very low	98 Å²	98	144.3 Å²	144.3	69%	0.685	78%	0.782	S	S	*	*				83.8	139.7	71.3	73.8	0	0	0	0	112.8
56	S	29.1	Very low	31.3	Very low	92 Å²	92	147.3 Å²	147.3	64%	0.643	78%	0.783	S	S	*	*			cis	-160.9	-173.6	25.7	57.8	0	0	0	0	114
57	T	28.7	Very low	31.4	Very low	126 Å²	126	149 Å²	149	77%	0.773	78%	0.784	S	S	*	*			trans	69.3	145.1	155.5	40.1	0	0	0	0	119.3
58	S	32.6	Very low	31.5	Very low	95 Å²	95	145.1 Å²	145.1	66%	0.664	78%	0.779	S	S	*	*			cis	-170.8	151.5	-5.2	43.5	0	0	0	0	114.6
59	S	30.7	Very low	31.5	Very low	110 Å²	110	139 Å²	139	77%	0.769	77%	0.77	S	S	*	*			trans	66.4	159.9	156	73.8	0	0	0	0	118.4
60	T	30.1	Very low	31.5	Very low	119 Å²	119	138.6 Å²	138.6	73%	0.73	77%	0.772	S	S	*	*			cis	-136.9	132.5	6.8	45.9	0	0	0	0	111.1
61	T	30.9	Very low	31.5	Very low	126 Å²	126	143.3 Å²	143.3	77%	0.773	77%	0.774	S	S	*	*				73.1	111.6	89	-42.9	0	0	0	0	117.5
62	S	33.9	Very low	31.6	Very low	123 Å²	123	143.3 Å²	143.3	86%	0.86	77%	0.774	S	S	*	*			trans	-168.6	143.3	136.8	-84.7	0	0	0	0	111.5
63	Q	34.5	Very low	30.7	Very low	188 Å²	188	144.3 Å²	144.3	88%	0.879	78%	0.783	S	S	*	*			trans	-115	154.4	178.3	-66.2	174.6	-34.4	0	0	110.9
64	R	30.6	Very low	30.7	Very low	245 Å²	245	144.1 Å²	144.1	93%	0.925	78%	0.783	S	S	*	*				-165.7	147.9	129.1	-107.7	165.9	-166.6	-158.2	2.5	111.3
65	S	30.4	Very low	30.7	Very low	102 Å²	102	144.3 Å²	144.3	71%	0.713	79%	0.785	S	S	*	*			trans	-143.5	137.1	-176	51.8	0	0	0	0	109
66	Y	30.8	Very low	30.8	Very low	232 Å²	232	143.6 Å²	143.6	91%	0.91	78%	0.78	S	S	*	*			trans	-143.5	145.4	157.8	-84.9	-69.3	0	0	0	109.3
67	D	31	Very low	30.8	Very low	149 Å²	149	144.1 Å²	144.1	80%	0.797	78%	0.784	S	S	*	*			trans	-130.6	173.9	178.8	-156.6	-21.8	0	0	0	107.3
68	L	30.9	Very low	30.9	Very low	152 Å²	152	143.2 Å²	143.2	80%	0.796	78%	0.782	S	S	*	*			trans	128.6	109.2	162.7	-69.2	166.3	0	0	0	116.1
69	S	28.8	Very low	30.7	Very low	90 Å²	90	143.7 Å²	143.7	63%	0.629	79%	0.785	S	S	*	*				74.5	106.6	122.4	-57.1	0	0	0	0	122.8
70	S	31.3	Very low	30.8	Very low	109 Å²	109	143.5 Å²	143.5	76%	0.762	78%	0.784	S	S	*	*				64	117.6	114.1	-48.8	0	0	0	0	121.9
71	R	30.2	Very low	30.9	Very low	245 Å²	245	148.5 Å²	148.5	93%	0.925	79%	0.79	S	S	*	*				-179.5	163.6	109.4	-102.9	174.4	168.4	175.6	-4	115.1
72	N	28.8	Very low	30.9	Very low	153 Å²	153	146.9 Å²	146.9	82%	0.818	78%	0.783	S	S	*	*			trans	-75.2	157.6	176.5	-45	1.1	0	0	0	112.8
73	S	31.6	Very low	30.8	Very low	115 Å²	115	146.9 Å²	146.9	80%	0.804	78%	0.779	S	S	*	*				-172	155.4	118.5	58.5	0	0	0	0	112.7
74	D	30.2	Very low	30.8	Very low	145 Å²	145	142.7 Å²	142.7	78%	0.775	78%	0.776	S	S	*	*			trans	-86.2	-164.8	-174.8	-53.4	-95.5	0	0	0	115
75	Y	32.2	Very low	31	Very low	216 Å²	216	135.5 Å²	135.5	85%	0.847	76%	0.763	S	S	*	*			trans	99.7	93.7	157.6	-101.9	-109.1	0	0	0	121.4
76	S	30.7	Very low	31.2	Very low	83 Å²	83	139.6 Å²	139.6	58%	0.58	77%	0.771	S	S	*	*				62.3	118.3	113.4	-51.5	0	0	0	0	122.9
77	S	29	Very low	31.5	Very low	104 Å²	104	133.6 Å²	133.6	73%	0.727	76%	0.763	S	S	*	*				74.5	115.8	125.3	68.5	0	0	0	0	123.2
78	S	29.2	Very low	31.8	Very low	107 Å²	107	130.3 Å²	130.3	75%	0.748	75%	0.752	S	S	*	*				90.2	166	125.3	82.5	0	0	0	0	121.4
79	S	30.2	Very low	32	Very low	104 Å²	104	129.6 Å²	129.6	73%	0.727	75%	0.749	S	S	*	*			trans	68.5	110.2	-175	78.4	0	0	0	0	114.3
80	S	31.9	Very low	32.4	Very low	107 Å²	107	132.2 Å²	132.2	75%	0.748	76%	0.755	S	S	*	*				92.6	148.6	73.1	85.2	0	0	0	0	111.9
81	R	31.2	Very low	32.4	Very low	224 Å²	224	138 Å²	138	85%	0.845	76%	0.76	S	S	*	*			cis	-160.1	157	11.6	-145.4	174	179.3	164.3	-3.5	109.9
82	S	31.9	Very low	32.6	Very low	91 Å²	91	131.5 Å²	131.5	64%	0.636	75%	0.752	S	S	*	*			trans	20.3	144.7	146.4	64.7	0	0	0	0	121.4
83	T	32.3	Very low	33.6	Very low	124 Å²	124	129.2 Å²	129.2	76%	0.761	75%	0.746	S	S	*	*			cis	-161.6	147.3	48.1	43.6	0	0	0	0	114.2
84	A	33.5	Very low	33.9	Very low	100 Å²	100	133.1 Å²	133.1	83%	0.826	75%	0.748	S	S	*	*				51.6	158.9	127.6	0	0	0	0	0	121.3
85	S	35.1	Very low	34.1	Very low	93 Å²	93	133.1 Å²	133.1	65%	0.65	75%	0.754	S	S	*	*			cis	-153.6	141.3	19.9	52.9	0	0	0	0	114.5
86	E	35.4	Very low	34	Very low	189 Å²	189	125.8 Å²	125.8	88%	0.883	74%	0.743	S	S	*	*			trans	63.8	151.7	138.7	-63.2	173.6	159.8	0	0	119.6
87	S	35.8	Very low	34.2	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	76%	0.758	S	S	*	*			cis	-157.9	166.4	6.8	118.5	0	0	0	0	109.3
88	S	37.3	Very low	34.4	Very low	80 Å²	80	137.2 Å²	137.2	56%	0.559	77%	0.768	S	S	*	*			cis	-178.8	170.2	-19	57.7	0	0	0	0	110.2
89	N	35.8	Very low	34.5	Very low	137 Å²	137	141.8 Å²	141.8	73%	0.733	77%	0.769	S	S	*	*			trans	69.9	142.2	147.9	-65.9	-20.1	0	0	0	120.8
90	L	37	Very low	34.6	Very low	146 Å²	146	144.8 Å²	144.8	76%	0.764	78%	0.775	S	S	*	*			cis	-159.3	156.3	1.1	-125.5	170.3	0	0	0	114
91	R	32.1	Very low	34.5	Very low	230 Å²	230	145.5 Å²	145.5	87%	0.868	77%	0.766	S	S	*	*			trans	108.2	107.8	139.7	-147.4	165.9	-161.5	174.9	5.8	119.6
92	S	33.1	Very low	34.6	Very low	108 Å²	108	142.6 Å²	142.6	76%	0.755	77%	0.767	S	S	*	*			trans	-97.1	-160.3	161.4	-29.6	0	0	0	0	109.3
93	P	50.4	Low	34.4	Very low	105 Å²	105	143.8 Å²	143.8	68%	0.682	78%	0.775	S	S	*	*			cis	-149.9	163.8	24	44.1	-23.2	0	0	0	120.4
94	K	37.7	Very low	34.2	Very low	198 Å²	198	141.6 Å²	141.6	86%	0.861	78%	0.777	S	S	*	*			trans	61.2	158.9	139.7	-70.8	170.3	-173.4	178.9	0	118.9
95	T	34.8	Very low	34.1	Very low	145 Å²	145	148.4 Å²	148.4	89%	0.89	78%	0.781	S	S	*	*			cis	-99.2	-138.5	17	60.5	0	0	0	0	112.7
96	G	30.9	Very low	34.1	Very low	61 Å²	61	150.7 Å²	150.7	63%	0.629	79%	0.786	S	S	*	*			cis	-174.7	-171.9	5.3	0	0	0	0	0	113.3
97	M	34.1	Very low	34.7	Very low	181 Å²	181	147.6 Å²	147.6	89%	0.892	78%	0.783	S	S	*	*			trans	-150.6	143.3	-176.2	-60.8	173.9	72.4	0	0	112.7
98	R	32.4	Very low	34.6	Very low	247 Å²	247	149.8 Å²	149.8	93%	0.932	79%	0.786	S	S	*	*				176.8	165.8	109.4	-96.1	-178.5	-178.6	-172.5	0.9	112.8
99	R	32.8	Very low	34.4	Very low	202 Å²	202	150.7 Å²	150.7	76%	0.762	80%	0.798	S	S	*	*			trans	-125.7	145.4	-178.5	169.1	-172.8	-178.2	172.6	1.6	108.4	E101	R99-E101 IonicContact CZ-OE1 3.19Å; R99-E101 IonicContact NE-OE1 2.91Å; R99-E101 PolarHBondContact NE-OE1 3.4Å; R99-E101 IonicContact NH2-OE1 3.87Å; R99-E101 PolarHBondContact NH2-OE1 3.17Å
100	I	31.1	Very low	34.2	Very low	167 Å²	167	148.7 Å²	148.7	86%	0.856	80%	0.801	S	S	*	*			trans	-154.1	149.7	162.1	-100.6	148.9	0	0	0	107.8
101	E	29.1	Very low	33.9	Very low	123 Å²	123	146.4 Å²	146.4	58%	0.575	80%	0.803	S	S	*	*			trans	-123.2	156.2	178.7	-70.3	162	-153.1	0	0	109.2	R99	R99-E101 IonicContact CZ-OE1 3.19Å; R99-E101 IonicContact NE-OE1 2.91Å; R99-E101 PolarHBondContact NE-OE1 3.4Å; R99-E101 IonicContact NH2-OE1 3.87Å; R99-E101 PolarHBondContact NH2-OE1 3.17Å
102	L	33.9	Very low	33.9	Very low	163 Å²	163	141.6 Å²	141.6	85%	0.853	81%	0.805	S	S	*	*				166.6	130.7	124.4	-89	167.7	0	0	0	114.5
103	S	29	Very low	34.1	Very low	116 Å²	116	147.3 Å²	147.3	81%	0.811	81%	0.809	S	S	*	*			trans	39	133.1	144.7	63.3	0	0	0	0	123.2
104	G	27.8	Very low	33.4	Very low	77 Å²	77	151.9 Å²	151.9	79%	0.794	81%	0.813	S	S	*	*			trans	-175.9	52.6	169.8	0	0	0	0	0	122.1
105	R	30.6	Very low	33.1	Very low	243 Å²	243	147.6 Å²	147.6	92%	0.917	81%	0.814	S	S	*	*			trans	52.6	119.3	146.1	-166.6	176.6	-169.9	173.1	4.1	121.7
106	N	34.5	Very low	33.1	Very low	141 Å²	141	147.2 Å²	147.2	75%	0.754	80%	0.803	S	S	*	*			trans	-70.1	159.8	163.5	-78.6	11	0	0	0	113.7
107	P	48.3	Very low	33.5	Very low	125 Å²	125	152.6 Å²	152.6	81%	0.812	82%	0.815	S	S	*	*				-133.2	156.6	121.2	38.4	-30.3	0	0	0	114.2
108	D	33.3	Very low	33.3	Very low	151 Å²	151	149.4 Å²	149.4	81%	0.807	81%	0.81	S	S	*	*			trans	-83.8	151.7	172.6	-63.4	-77.8	0	0	0	113.1
109	A	33.3	Very low	33.6	Very low	98 Å²	98	145.2 Å²	145.2	81%	0.81	81%	0.805	S	S	*	*				169.5	139.2	117.7	0	0	0	0	0	115.6
110	A	31.1	Very low	33.5	Very low	96 Å²	96	144.2 Å²	144.2	79%	0.793	81%	0.809	S	S	*	*			trans	58.3	92.1	142.3	0	0	0	0	0	122.6
111	A	32.3	Very low	33.8	Very low	98 Å²	98	142.7 Å²	142.7	81%	0.81	81%	0.807	S	S	*	*				62	124.3	117.1	0	0	0	0	0	123.3
112	S	32.4	Very low	34.1	Very low	129 Å²	129	142.2 Å²	142.2	90%	0.902	82%	0.818	S	S	*	*			trans	-141.3	162.8	131.1	-168	0	0	0	0	110
113	R	36.8	Very low	34.2	Very low	227 Å²	227	139.5 Å²	139.5	86%	0.857	81%	0.812	S	S	*	*			trans	-118.1	135.8	-158.6	-53.8	-174.5	-163.5	-162.7	4.6	115.3
114	R	34.3	Very low	34.6	Very low	202 Å²	202	143.8 Å²	143.8	76%	0.762	82%	0.816	S	S	*	*				28.6	125.7	129.5	-168.3	-172.1	-166.8	-158.5	5.7	118.8	E116	R114-E116 HydrophobicContact CG-CG 4.34Å; R114-E116 IonicContact CZ-OE2 3.12Å; R114-E116 IonicContact NE-OE2 2.71Å; R114-E116 PolarHBondContact NE-OE2 2.84Å; R114-E116 IonicContact NH2-OE2 2.69Å; R114-E116 PolarHBondContact NH2-OE2 3.45Å
115	A	33.3	Very low	34.9	Very low	107 Å²	107	149.1 Å²	149.1	88%	0.884	82%	0.82	S	S	*	*			trans	-133.7	106.6	145.8	0	0	0	0	0	109.2
116	E	33.5	Very low	35.2	Very low	137 Å²	137	146.1 Å²	146.1	64%	0.64	82%	0.82	S	S	*	*			trans	-110.9	134.3	168.2	-71.3	174.3	122.5	0	0	107.6	R114	R114-E116 HydrophobicContact CG-CG 4.34Å; R114-E116 IonicContact CZ-OE2 3.12Å; R114-E116 IonicContact NE-OE2 2.71Å; R114-E116 PolarHBondContact NE-OE2 2.84Å; R114-E116 IonicContact NH2-OE2 2.69Å; R114-E116 PolarHBondContact NH2-OE2 3.45Å
117	I	39.3	Very low	35	Very low	175 Å²	175	146.2 Å²	146.2	90%	0.897	82%	0.821	S	S	*	*			trans	-103.8	104.3	177.8	31	172.8	0	0	0	109.9
118	S	29.4	Very low	34.2	Very low	113 Å²	113	144.7 Å²	144.7	79%	0.79	81%	0.813	S	S	*	*			trans	-100.9	140.1	166	-61.2	0	0	0	0	109.2
119	I	38.6	Very low	34.3	Very low	160 Å²	160	142.8 Å²	142.8	82%	0.821	81%	0.812	S	S	*	*			trans	-109.1	105.9	176.4	-59.1	176.5	0	0	0	108.1
120	E	31.9	Very low	35.1	Very low	181 Å²	181	143.9 Å²	143.9	85%	0.846	81%	0.811	S	S	*	*			trans	-91.6	139.4	165.4	-69	-169.6	146	0	0	110.1
121	V	37.6	Very low	35	Very low	135 Å²	135	145 Å²	145	82%	0.818	81%	0.813	S	S	*	*			trans	-96.4	117.8	171.5	178.9	0	0	0	0	107.9
122	S	34.9	Very low	35.1	Very low	113 Å²	113	144.9 Å²	144.9	79%	0.79	81%	0.812	S	S	*	*			trans	-123.3	138.3	-178.8	-168.8	0	0	0	0	111.1
123	S	35.5	Very low	35.1	Very low	105 Å²	105	142 Å²	142	73%	0.734	80%	0.803	S	S	*	*			trans	-123.6	126.2	-169	-54.4	0	0	0	0	111
124	K	38.6	Very low	35	Very low	207 Å²	207	139.6 Å²	139.6	90%	0.9	81%	0.805	S	S	*	*			trans	-141.4	152.3	166	-72.8	-162.2	174.7	-174.7	0	112.1
125	Q	34.1	Very low	34.9	Very low	189 Å²	189	133.8 Å²	133.8	88%	0.883	80%	0.8	S	S	*	*			trans	-98.3	146.6	-171.7	-59.3	156.7	-40.8	0	0	111.5
126	I	36.3	Very low	35	Very low	179 Å²	179	140.1 Å²	140.1	92%	0.918	80%	0.801	S	S	*	*			trans	-139.8	165.4	157.4	-58.2	-174.9	0	0	0	107.3
127	D	30.8	Very low	35.1	Very low	143 Å²	143	143.2 Å²	143.2	77%	0.765	81%	0.813	S	S	*	*			trans	-104	162.2	-143.2	-139	-46.4	0	0	0	118
128	S	30.7	Very low	34.7	Very low	93 Å²	93	138.4 Å²	138.4	65%	0.65	81%	0.807	S	S	*	*			trans	55.2	102.9	147.8	-73.8	0	0	0	0	123.8
129	S	35.7	Very low	35.1	Very low	112 Å²	112	141.6 Å²	141.6	78%	0.783	81%	0.814	S	S	*	*				52.6	152.7	117	-64.9	0	0	0	0	123.6
130	P	49.7	Very low	34.8	Very low	120 Å²	120	143.9 Å²	143.9	78%	0.779	82%	0.818	S	S	*	*			cis	-138	-169	-20.4	40.3	-21.8	0	0	0	114.6
131	S	30	Very low	34.8	Very low	119 Å²	119	146.7 Å²	146.7	83%	0.832	82%	0.821	S	S	*	*			trans	83.4	133.5	166	-155.4	0	0	0	0	117
132	A	33.8	Very low	34.6	Very low	96 Å²	96	146.1 Å²	146.1	79%	0.793	82%	0.82	S	S	*	*			cis	-162	160.2	-15.9	0	0	0	0	0	111.1
133	G	31.6	Very low	34.3	Very low	69 Å²	69	149.9 Å²	149.9	71%	0.711	83%	0.825	S	S	*	*			trans	116.6	102.8	155.4	0	0	0	0	0	118.4
134	I	35	Very low	33.9	Very low	176 Å²	176	151.4 Å²	151.4	90%	0.903	83%	0.829	S	S	*	*				38.7	130.3	129.2	-54.4	164.6	0	0	0	118.7
135	A	32.8	Very low	33.5	Very low	81 Å²	81	147.2 Å²	147.2	67%	0.669	83%	0.826	S	S	*	*			cis	-179.9	150.8	-18.8	0	0	0	0	0	108
136	R	36.1	Very low	33.2	Very low	239 Å²	239	145.5 Å²	145.5	90%	0.902	82%	0.822	S	S	*	*			trans	-173.7	136.4	142	-108.8	157.8	-177.1	179	0.9	114.8
137	F	34.3	Very low	32.8	Very low	203 Å²	203	142.9 Å²	142.9	89%	0.89	82%	0.82	S	S	*	*			trans	13.1	122	150.2	-74.1	-99.4	0	0	0	119.4
138	G	32.1	Very low	32.7	Very low	74 Å²	74	141.8 Å²	141.8	76%	0.763	82%	0.824	S	S	*	*			trans	-106	167.8	164	0	0	0	0	0	113.1
139	L	37.7	Very low	32.8	Very low	179 Å²	179	149 Å²	149	94%	0.937	84%	0.836	S	S	*	*			trans	-141.5	114.9	167.2	-102.7	141.7	0	0	0	107.3
140	K	30.8	Very low	32.6	Very low	208 Å²	208	149.4 Å²	149.4	90%	0.904	84%	0.839	S	S	*	*			trans	-93.3	143.5	175.3	-72.7	-171.2	175.1	-172.8	0	110.4
141	R	32.1	Very low	31.6	Very low	241 Å²	241	151.5 Å²	151.5	91%	0.909	84%	0.844	S	S	*	*			trans	-118.3	151.2	150.8	-82.5	-175.9	173.7	163.3	-1.1	108.3
142	P	34.5	Very low	31.7	Very low	123 Å²	123	150.3 Å²	150.3	80%	0.799	84%	0.841	S	S	*	*			trans	-80	153.5	-170	32.7	-35.9	0	0	0	112.4
143	E	27.8	Very low	31.7	Very low	192 Å²	192	152.9 Å²	152.9	90%	0.897	84%	0.841	S	S	*	*			trans	-79.7	159.5	165.5	-64.7	-170.1	132.9	0	0	111.2
144	V	28.2	Very low	31.6	Very low	136 Å²	136	157.1 Å²	157.1	82%	0.824	85%	0.847	S	S	*	*			trans	-111.1	123.7	172.8	177.1	0	0	0	0	108.5
145	S	28.3	Very low	31.4	Very low	120 Å²	120	152.4 Å²	152.4	84%	0.839	84%	0.842	S	S	*	*			trans	-134.8	148.2	165.9	56.5	0	0	0	0	109.8
146	L	28.5	Very low	31.2	Very low	153 Å²	153	155 Å²	155	80%	0.801	85%	0.85	S	S	*	*			trans	-121.8	161	-170.1	-77.6	170.5	0	0	0	111.6
147	S	28.1	Very low	31.1	Very low	123 Å²	123	148.5 Å²	148.5	86%	0.86	84%	0.841	S	S	*	*			trans	69.8	143	179.9	78.5	0	0	0	0	114.6
148	S	29.6	Very low	31	Very low	121 Å²	121	145.8 Å²	145.8	85%	0.846	84%	0.836	S	S	*	*			cis	-140.9	-178.1	27.3	56	0	0	0	0	114
149	R	30.9	Very low	30.9	Very low	243 Å²	243	146.6 Å²	146.6	92%	0.917	83%	0.83	S	S	*	*			trans	-95.8	144.1	-173.5	-71.1	173.3	165.2	174.4	-6.5	113.3
150	S	32.3	Very low	30.7	Very low	121 Å²	121	145.6 Å²	145.6	85%	0.846	82%	0.824	S	S	*	*			trans	-158.7	155.5	146.8	52.7	0	0	0	0	110.8
151	N	29.1	Very low	30.7	Very low	164 Å²	164	140.4 Å²	140.4	88%	0.877	81%	0.814	S	S	*	*			trans	-118.7	133.2	-175	-72.7	-1.4	0	0	0	112.2
152	A	31.6	Very low	30.7	Very low	94 Å²	94	133.1 Å²	133.1	78%	0.777	80%	0.8	S	S	*	*			trans	-171.4	117.2	153	0	0	0	0	0	106.4
153	L	33.9	Very low	30.7	Very low	151 Å²	151	134 Å²	134	79%	0.791	80%	0.796	S	S	*	*				92.5	126.2	65	-86.2	168.8	0	0	0	113.5
154	D	29.6	Very low	30.9	Very low	158 Å²	158	131.2 Å²	131.2	85%	0.845	79%	0.792	S	S	*	*			trans	61.8	152.6	161.7	-52.1	-31.3	0	0	0	120.8
155	G	29.8	Very low	31.2	Very low	77 Å²	77	131.1 Å²	131.1	79%	0.794	79%	0.787	S	S	*	*			trans	146.9	51.4	173.4	0	0	0	0	0	118.1
156	T	30.6	Very low	31.5	Very low	135 Å²	135	137 Å²	137	83%	0.828	79%	0.791	S	S	*	*			trans	-54.1	143.6	175.6	51.2	0	0	0	0	115.4
157	S	33.2	Very low	31.7	Very low	102 Å²	102	140.7 Å²	140.7	71%	0.713	79%	0.794	S	S	*	*				162.1	150	110.1	56.1	0	0	0	0	116.5
158	N	31.3	Very low	31.8	Very low	146 Å²	146	138.9 Å²	138.9	78%	0.781	79%	0.787	S	S	*	*			trans	40.4	119.1	140.2	-60.3	-1.6	0	0	0	120.4
159	S	31	Very low	31.9	Very low	91 Å²	91	140.5 Å²	140.5	64%	0.636	78%	0.781	S	S	*	*			cis	101.7	155.8	41.2	70.7	0	0	0	0	113.5
160	I	32.9	Very low	32	Very low	158 Å²	158	135.8 Å²	135.8	81%	0.81	77%	0.773	S	S	*	*			trans	73.9	141.4	170.4	-60.1	165.2	0	0	0	113.8
161	S	31.5	Very low	31.9	Very low	100 Å²	100	135 Å²	135	70%	0.699	77%	0.768	S	S	*	*			cis	-178.2	174.4	-23	77.1	0	0	0	0	107.6
162	S	32.5	Very low	32.2	Very low	87 Å²	87	134.9 Å²	134.9	61%	0.608	76%	0.764	S	S	*	*			cis	-178.8	177.4	-31.4	60.6	0	0	0	0	108.5
163	I	33.3	Very low	32.2	Very low	141 Å²	141	137 Å²	137	72%	0.723	77%	0.767	S	S	*	*			trans	71.9	130.9	161.5	-66.5	161	0	0	0	114.7
164	T	33.4	Very low	32	Very low	134 Å²	134	141.1 Å²	141.1	82%	0.822	77%	0.773	S	S	*	*			cis	-145.4	171.5	45.2	52.3	0	0	0	0	114.2
165	N	32.9	Very low	32.1	Very low	134 Å²	134	138.1 Å²	138.1	72%	0.717	77%	0.769	S	S	*	*			cis	158.7	117.7	-33.4	-128.3	-16.4	0	0	0	109
166	R	36	Very low	32.1	Very low	244 Å²	244	143.8 Å²	143.8	92%	0.921	78%	0.775	S	S	*	*			trans	158.7	111.3	158.7	-91.1	162.5	-167.3	-148.7	3.2	107.7
167	R	32	Very low	32.1	Very low	230 Å²	230	145.9 Å²	145.9	87%	0.868	78%	0.776	S	S	*	*			cis	79.2	127.7	46	-159.3	177.3	-158	170.5	7.9	111.5
168	A	31.2	Very low	33.5	Very low	86 Å²	86	146 Å²	146	71%	0.711	77%	0.774	S	S	*	*			cis	-128.5	163.2	19.3	0	0	0	0	0	112.1
169	E	30.8	Very low	34.4	Very low	154 Å²	154	144.9 Å²	144.9	72%	0.72	77%	0.774	S	S	*	*			cis	77	130.8	36.2	-66	-118.5	121	0	0	113.8
170	L	33.4	Very low	34.5	Very low	144 Å²	144	144.9 Å²	144.9	75%	0.754	78%	0.78	S	S	*	*			cis	-141.3	164.1	7.6	-75.9	118.3	0	0	0	110.2
171	S	29.3	Very low	35.9	Very low	104 Å²	104	143 Å²	143	73%	0.727	78%	0.778	S	S	*	*			cis	74.4	136.8	48.2	-111.4	0	0	0	0	115.4
172	M	35.5	Very low	37.1	Very low	162 Å²	162	143.2 Å²	143.2	80%	0.798	78%	0.777	S	S	*	*			cis	-169.9	-178.7	-1.5	-131.3	-71.6	-172.3	0	0	112.6
173	T	31.9	Very low	37.1	Very low	138 Å²	138	150.8 Å²	150.8	85%	0.847	79%	0.793	S	S	*	*			trans	98.4	-175.8	161.5	73	0	0	0	0	122.8
174	R	30.3	Very low	37.1	Very low	239 Å²	239	155.3 Å²	155.3	90%	0.902	80%	0.801	S	S	*	*			trans	-160.2	140	-142.3	155.1	-167.7	173.3	-175.1	0.1	113.1
175	A	31.2	Very low	37	Very low	94 Å²	94	152.5 Å²	152.5	78%	0.777	79%	0.791	S	S	*	*			trans	170.7	143.9	141.8	0	0	0	0	0	118
176	Q	30.2	Very low	36.8	Very low	197 Å²	197	152.8 Å²	152.8	92%	0.921	79%	0.793	S	S	*	*			trans	15.7	162.9	147.2	-102	158.7	-55.2	0	0	128.6
177	E	29.7	Very low	36.4	Very low	179 Å²	179	146.1 Å²	146.1	84%	0.836	78%	0.783	S	S	*	*			trans	-74.2	-179.1	177.5	-108.3	-163.9	113.6	0	0	117.1
178	P	63.5	Low	36.3	Very low	105 Å²	105	143.1 Å²	143.1	68%	0.682	78%	0.779	S	S	*	*			cis	-119.7	-120.2	-0.2	38.9	-18	0	0	0	112.5
179	P	49.7	Very low	36.2	Very low	121 Å²	121	145.7 Å²	145.7	79%	0.786	78%	0.78	S	S	*	*			cis	-130	-163.2	1.5	45.6	-26.5	0	0	0	116.5
180	A	33.9	Very low	36	Very low	92 Å²	92	142.7 Å²	142.7	76%	0.76	78%	0.776	S	S	*	*			trans	-152.5	-164	172.9	0	0	0	0	0	110.1
181	P	62.5	Low	35.8	Very low	117 Å²	117	141.2 Å²	141.2	76%	0.76	78%	0.778	S	S	*	*			cis	-125.7	-152.7	-16.4	37.5	-14.7	0	0	0	111.7
182	P	55.7	Low	35.7	Very low	106 Å²	106	142.5 Å²	142.5	69%	0.688	78%	0.781	S	S	*	*				-163.5	143.7	79.4	40.5	-17	0	0	0	121.5
183	R	33.7	Very low	36.8	Very low	245 Å²	245	140 Å²	140	93%	0.925	78%	0.777	S	S	*	*			trans	65.1	159.4	139.5	-65.8	177.1	-179	178.8	-0.1	119.6
184	R	31.5	Very low	36.7	Very low	237 Å²	237	139.1 Å²	139.1	89%	0.894	77%	0.772	S	S	*	*			cis	-124.8	-129.4	19	-162.1	166.2	172.5	153.3	-0.1	114.7
185	A	32.5	Very low	36.8	Very low	75 Å²	75	132.6 Å²	132.6	62%	0.62	76%	0.763	S	S	*	*			trans	-169.5	-178.1	-162	0	0	0	0	0	115
186	D	28.1	Very low	36.8	Very low	140 Å²	140	138.4 Å²	138.4	75%	0.749	76%	0.764	S	S	*	*			trans	78.7	154.1	163.7	-45	-45.9	0	0	0	117.7
187	S	28	Very low	37	Very low	104 Å²	104	135.5 Å²	135.5	73%	0.727	75%	0.754	S	S	*	*			cis	-163.1	153.1	14.3	-5.9	0	0	0	0	115.7
188	Q	28.8	Very low	37.8	Very low	166 Å²	166	132.5 Å²	132.5	78%	0.776	75%	0.75	S	S	*	*			trans	68.6	136	138	-58.8	-68.4	-4.7	0	0	126.1
189	L	30.4	Very low	36.5	Very low	140 Å²	140	135.4 Å²	135.4	73%	0.733	76%	0.755	S	S	*	*			trans	77.7	108.8	132.6	-74.3	168.7	0	0	0	127.3
190	S	27.3	Very low	35.7	Very low	91 Å²	91	136.7 Å²	136.7	64%	0.636	75%	0.754	S	S	*	*				65.2	133	117.3	72.3	0	0	0	0	126.7
191	S	27.3	Very low	35.6	Very low	114 Å²	114	137 Å²	137	80%	0.797	75%	0.746	S	S	*	*			trans	79.9	137.7	135.1	55.4	0	0	0	0	123.7
192	T	28.4	Very low	34.3	Very low	130 Å²	130	138.5 Å²	138.5	80%	0.798	74%	0.743	S	S	*	*			trans	-85.8	-168.1	173.2	55.5	0	0	0	0	111.8
193	P	57.8	Low	33.2	Very low	110 Å²	110	143.6 Å²	143.6	71%	0.714	75%	0.749	S	S	*	*			cis	-136.1	-164	-16.8	20.5	6.4	0	0	0	115.2
194	V	30.4	Very low	33	Very low	120 Å²	120	143.2 Å²	143.2	73%	0.727	75%	0.747	S	S	*	*			trans	112.7	100.7	140.4	-171.7	0	0	0	0	121.8
195	S	32	Very low	33.4	Very low	102 Å²	102	136 Å²	136	71%	0.713	74%	0.738	S	S	*	*			trans	72.1	163	139.4	90.7	0	0	0	0	121.2
196	R	31.3	Very low	33.6	Very low	215 Å²	215	141 Å²	141	81%	0.811	75%	0.749	S	S	*	*			cis	-171.3	159.5	-11.2	-122.7	179	-167.2	-151.5	8.9	112.4
197	I	34.8	Very low	34.8	Very low	136 Å²	136	139.6 Å²	139.6	70%	0.697	75%	0.747	S	S	*	*			trans	69.6	155.7	151	-66.4	164.7	0	0	0	117.4
198	P	46.9	Very low	35.8	Very low	116 Å²	116	140.1 Å²	140.1	75%	0.753	75%	0.748	S	S	*	*			cis	-119.2	-155.3	-25.1	33.2	-13.8	0	0	0	111.9
199	E	34.9	Very low	36.2	Very low	167 Å²	167	137.6 Å²	137.6	78%	0.78	75%	0.749	S	S	*	*				-172.7	174.5	-64.3	-174.2	164.8	-164.3	0	0	108.6
200	L	32.7	Very low	37	Very low	147 Å²	147	136.4 Å²	136.4	77%	0.77	75%	0.75	S	S	*	*			trans	101.5	133.4	163	-56.6	178.5	0	0	0	116.7
201	T	33.1	Very low	37	Very low	98 Å²	98	136.7 Å²	136.7	60%	0.601	75%	0.752	S	S	*	*			cis	-164.3	154.1	-25.2	2.5	0	0	0	0	112
202	Q	35.8	Very low	37.1	Very low	150 Å²	150	138.8 Å²	138.8	70%	0.701	75%	0.753	S	S	*	*			trans	67.7	147	155.6	-66.5	-174.5	75.4	0	0	118.8
203	R	31.4	Very low	37.1	Very low	212 Å²	212	137.9 Å²	137.9	80%	0.8	75%	0.752	S	S	*	*			cis	-152.7	130.5	-0.4	-131.5	179.2	-161.6	-151.7	0.7	112.8
204	R	30.2	Very low	35.7	Very low	238 Å²	238	139.6 Å²	139.6	90%	0.898	75%	0.754	S	S	*	*			trans	46.1	132.4	145.9	-156.5	172.7	-166.8	166.7	5.3	121.6
205	A	39.4	Very low	35.8	Very low	84 Å²	84	140.2 Å²	140.2	69%	0.694	76%	0.758	S	S	*	*			trans	-122.6	176	165.6	0	0	0	0	0	111
206	E	36.6	Very low	35.6	Very low	182 Å²	182	143 Å²	143	85%	0.85	77%	0.765	S	S	*	*			trans	-172.6	163.4	131.1	-102.1	-167	126.7	0	0	113.7
207	P	54.3	Low	35.5	Very low	109 Å²	109	136 Å²	136	71%	0.708	76%	0.759	S	S	*	*			trans	-115.3	-143.6	-177.4	46.3	-33.7	0	0	0	110.7
208	P	48.9	Very low	35.3	Very low	116 Å²	116	136.3 Å²	136.3	75%	0.753	77%	0.767	S	S	*	*			cis	-126.9	-174.3	-27.1	39.9	-23.4	0	0	0	113.8
209	S	37.3	Very low	34.6	Very low	112 Å²	112	136.5 Å²	136.5	78%	0.783	77%	0.772	S	S	*	*			trans	-84.6	156.8	172.1	-39.3	0	0	0	0	113.3
210	P	45.6	Very low	34.5	Very low	116 Å²	116	139.6 Å²	139.6	75%	0.753	78%	0.776	S	S	*	*				-158.2	175.9	104.8	39.6	-19.7	0	0	0	119.4
211	S	27.9	Very low	34.4	Very low	97 Å²	97	141.4 Å²	141.4	68%	0.678	77%	0.772	S	S	*	*			trans	78	107.3	144.3	54.8	0	0	0	0	126.2
212	L	29.9	Very low	34.7	Very low	158 Å²	158	142.5 Å²	142.5	83%	0.827	78%	0.782	S	S	*	*				67	114.7	120.3	-59.4	176.4	0	0	0	125.6
213	S	28.5	Very low	34.3	Very low	110 Å²	110	142.1 Å²	142.1	77%	0.769	78%	0.78	S	S	*	*			trans	69.7	156.1	133.1	77.7	0	0	0	0	120.3
214	L	28.3	Very low	34.7	Very low	146 Å²	146	140.1 Å²	140.1	76%	0.764	78%	0.783	S	S	*	*			cis	-158.4	146	-0.4	-159.5	75.2	0	0	0	111.3
215	V	32.5	Very low	35.3	Very low	133 Å²	133	134.6 Å²	134.6	81%	0.806	78%	0.778	S	S	*	*			trans	52.6	158.7	167	-71.6	0	0	0	0	118.7
216	D	27.8	Very low	35.1	Very low	162 Å²	162	136.5 Å²	136.5	87%	0.866	78%	0.781	S	S	*	*			cis	-148.5	178.3	15.3	-162.9	4.1	0	0	0	111.8
217	G	29.4	Very low	34.7	Very low	67 Å²	67	136.7 Å²	136.7	69%	0.691	78%	0.779	S	S	*	*			trans	105.3	72.9	149.8	0	0	0	0	0	120.8
218	V	30.3	Very low	33.6	Very low	142 Å²	142	141 Å²	141	86%	0.861	78%	0.781	S	S	*	*			trans	-16.1	131.4	158.6	177.4	0	0	0	0	119.7
219	S	30.9	Very low	32.7	Very low	121 Å²	121	142.6 Å²	142.6	85%	0.846	78%	0.779	S	S	*	*				-169.4	179.9	121.8	-153.8	0	0	0	0	114.2
220	R	32.8	Very low	33.1	Very low	231 Å²	231	143.3 Å²	143.3	87%	0.872	78%	0.781	S	S	*	*			trans	-112.9	140.6	-160.4	-66.4	179.9	173.3	-178.6	-1.7	117
221	R	32.3	Very low	32.4	Very low	185 Å²	185	145 Å²	145	70%	0.698	78%	0.779	S	S	*	*			trans	41.1	124.3	131.1	-167.1	-178.3	-166.7	-114.1	-3.5	120.7	E223	R221-E223 VanDerWaalsContact CZ-CD 3.42Å; R221-E223 IonicContact CZ-OE1 2.73Å; R221-E223 IonicContact CZ-OE2 3.5Å; R221-E223 IonicContact NH1-OE1 3.98Å; R221-E223 PolarHBondContact NH1-OE1 2.91Å; R221-E223 IonicContact NH1-OE2 3.14Å; R221-E223 PolarHBondContact NH1-OE2 2.77Å; R221-E223 IonicContact NH2-OE1 3.71Å; R221-E223 PolarHBondContact NH2-OE1 2.72Å; R221-E223 IonicContact NH2-OE2 3.48Å
222	P	39.1	Very low	32.5	Very low	122 Å²	122	147.4 Å²	147.4	79%	0.792	78%	0.784	S	S	*	*			trans	-98	149.8	160.7	36.3	-30.6	0	0	0	114.1
223	E	27.7	Very low	32.4	Very low	142 Å²	142	144.7 Å²	144.7	66%	0.664	78%	0.778	S	S	*	*			trans	-134	160.6	162.5	-81.8	178.7	147	0	0	108.7	R221	R221-E223 VanDerWaalsContact CZ-CD 3.42Å; R221-E223 IonicContact CZ-OE1 2.73Å; R221-E223 IonicContact CZ-OE2 3.5Å; R221-E223 IonicContact NH1-OE1 3.98Å; R221-E223 PolarHBondContact NH1-OE1 2.91Å; R221-E223 IonicContact NH1-OE2 3.14Å; R221-E223 PolarHBondContact NH1-OE2 2.77Å; R221-E223 IonicContact NH2-OE1 3.71Å; R221-E223 PolarHBondContact NH2-OE1 2.72Å; R221-E223 IonicContact NH2-OE2 3.48Å
224	I	40	Very low	32.4	Very low	169 Å²	169	144 Å²	144	87%	0.867	78%	0.779	S	S	*	*			trans	-118.9	126.4	-172	-57.4	173.2	0	0	0	110.9
225	P	42.5	Very low	32.3	Very low	122 Å²	122	144.3 Å²	144.3	79%	0.792	79%	0.787	S	S	*	*			trans	-111.8	171.8	174.2	38.4	-30.2	0	0	0	115.4
226	V	34	Very low	32	Very low	125 Å²	125	141.9 Å²	141.9	76%	0.758	79%	0.789	S	S	*	*			trans	-105.5	151.8	-166.7	177.9	0	0	0	0	111.5
227	F	28	Very low	32	Very low	186 Å²	186	139.7 Å²	139.7	82%	0.816	79%	0.786	S	S	*	*				-171	-176.7	129.2	-122.8	-102.7	0	0	0	117.2
228	R	31.9	Very low	33.1	Very low	199 Å²	199	141.9 Å²	141.9	75%	0.751	79%	0.788	S	S	*	*			trans	-125.1	157.3	-161.9	-53.6	168.3	163.8	178.6	-5.9	114.8
229	Q	30.6	Very low	33.2	Very low	149 Å²	149	141.6 Å²	141.6	70%	0.696	79%	0.786	S	S	*	*			trans	60.8	167.2	147.9	-111.7	-176.8	-26.1	0	0	117.8
230	P	45.4	Very low	33.3	Very low	127 Å²	127	143.8 Å²	143.8	83%	0.825	78%	0.783	S	S	*	*			cis	-131.5	-160.1	42	41.9	-22.8	0	0	0	116
231	E	31.1	Very low	33.3	Very low	153 Å²	153	139.1 Å²	139.1	72%	0.715	78%	0.776	S	S	*	*			trans	-116.4	153.6	-174.6	-50.5	171.8	138.1	0	0	111.9
232	N	29.6	Very low	33.3	Very low	147 Å²	147	137 Å²	137	79%	0.786	78%	0.778	S	S	*	*				175.4	165.3	109.3	-123	-41.7	0	0	0	117.2
233	S	28.1	Very low	33	Very low	101 Å²	101	138.1 Å²	138.1	71%	0.706	78%	0.777	S	S	*	*			trans	59.4	98	151.6	60.6	0	0	0	0	123.2
234	A	28.5	Very low	33.3	Very low	95 Å²	95	139.8 Å²	139.8	79%	0.785	79%	0.785	S	S	*	*				33.8	128.4	126.8	0	0	0	0	0	123.7
235	T	26.5	Very low	34	Very low	153 Å²	153	137.1 Å²	137.1	94%	0.939	78%	0.779	S	S	*	*				179.5	163.7	124.3	22.3	0	0	0	0	111.4
236	G	25.8	Very low	34.5	Very low	82 Å²	82	136.7 Å²	136.7	85%	0.845	78%	0.776	S	S	*	*			trans	105.4	118.2	155.7	0	0	0	0	0	118.4
237	S	26.8	Very low	35.3	Very low	115 Å²	115	135.9 Å²	135.9	80%	0.804	77%	0.773	S	S	*	*			trans	-136.2	-169.5	164.4	59.1	0	0	0	0	108
238	P	54.3	Low	35.6	Very low	113 Å²	113	131.5 Å²	131.5	73%	0.734	77%	0.772	S	S	*	*				-118.2	-176.1	-61.2	37.6	-24.1	0	0	0	111.6
239	V	32.3	Very low	36.5	Very low	136 Å²	136	127.6 Å²	127.6	82%	0.824	77%	0.772	S	S	*	*			trans	-137.5	151.9	158.6	-175.9	0	0	0	0	110.4
240	E	32.5	Very low	36.8	Very low	167 Å²	167	127 Å²	127	78%	0.78	78%	0.778	S	S	*	*			trans	-56.1	149.2	-170.4	-71	140.6	121.2	0	0	116.4
241	N	31.9	Very low	36.4	Very low	134 Å²	134	125.2 Å²	125.2	72%	0.717	77%	0.774	S	S	*	*			cis	88.6	122	34.4	-178.4	42.2	0	0	0	114.8
242	N	33.3	Very low	37.3	Very low	139 Å²	139	123.2 Å²	123.2	74%	0.743	77%	0.774	S	S	*	*			trans	-165.3	134.7	156.4	-116.9	-32.8	0	0	0	115
243	N	32.4	Very low	37.3	Very low	146 Å²	146	123 Å²	123	78%	0.781	77%	0.772	S	S	*	*			trans	68.3	96.9	155	-61.5	-21.7	0	0	0	123.1
244	H	33.8	Very low	38.2	Very low	177 Å²	177	124.2 Å²	124.2	82%	0.819	78%	0.778	S	S	*	*			trans	-74.2	-162.4	153.4	-69.9	-79	0	0	0	112.6
245	P	53.8	Low	38.2	Very low	114 Å²	114	125.4 Å²	125.4	74%	0.74	78%	0.775	S	S	*	*			cis	-134.5	-137.2	-5.7	29.5	-1.2	0	0	0	114.4
246	P	54.2	Low	38.4	Very low	112 Å²	112	126.3 Å²	126.3	73%	0.727	77%	0.774	S	S	*	*				-128.6	-147.7	-87.8	42.7	-23.9	0	0	0	114.3
247	P	49.9	Very low	38.6	Very low	109 Å²	109	126.5 Å²	126.5	71%	0.708	77%	0.767	S	S	*	*			cis	-135.8	149.5	-49.9	28.3	-6.8	0	0	0	118.1
248	A	35.2	Very low	38.7	Very low	94 Å²	94	127 Å²	127	78%	0.777	76%	0.757	S	S	*	*				63.5	-168.7	128.6	0	0	0	0	0	122.1
249	P	51.3	Low	38.1	Very low	117 Å²	117	127.5 Å²	127.5	76%	0.76	76%	0.76	S	S	*	*				-143.4	-177.9	-79.7	44.7	-27.3	0	0	0	119.8
250	V	36.1	Very low	37.9	Very low	136 Å²	136	130 Å²	130	82%	0.824	76%	0.755	S	S	*	*			trans	93.1	103.7	153.4	-176.9	0	0	0	0	123.9
251	A	37.8	Very low	37.8	Very low	90 Å²	90	129.2 Å²	129.2	74%	0.744	76%	0.761	S	S	*	*				73.9	-172.9	127	0	0	0	0	0	124.3
252	P	50.2	Low	37.6	Very low	110 Å²	110	129.7 Å²	129.7	71%	0.714	76%	0.759	S	S	*	*				-144.7	-175.4	-108.4	45.5	-24.1	0	0	0	121.1
253	L	29.3	Very low	37.3	Very low	143 Å²	143	130.8 Å²	130.8	75%	0.749	76%	0.757	S	S	*	*			trans	74.5	162.8	158.1	-81.4	161.6	0	0	0	118.5	T255	L253-T255 HydrophobicContact CD2-CG2 3.78Å
254	P	46.7	Very low	37	Very low	127 Å²	127	130.1 Å²	130.1	83%	0.825	76%	0.758	S	S	*	*			cis	-125.8	-155.7	25.4	44.9	-28.5	0	0	0	117.3
255	T	28.2	Very low	36.8	Very low	119 Å²	119	130.1 Å²	130.1	73%	0.73	76%	0.758	S	S	*	*			trans	-131.8	160.4	-153.3	45.8	0	0	0	0	117.4	L253	L253-T255 HydrophobicContact CD2-CG2 3.78Å
256	L	30.6	Very low	35.7	Very low	173 Å²	173	129.8 Å²	129.8	91%	0.906	76%	0.759	S	S	*	*			trans	-169.6	156.7	145.8	-100.3	167.8	0	0	0	106.6
257	A	29.2	Very low	35.2	Very low	86 Å²	86	130.5 Å²	130.5	71%	0.711	76%	0.763	S	S	*	*			cis	-148.3	-170.8	-0.7	0	0	0	0	0	110.6
258	E	30.5	Very low	34.3	Very low	126 Å²	126	132 Å²	132	59%	0.589	77%	0.771	S	S	*	*			trans	-146.1	177	174.3	-125.8	-163.1	-113.3	0	0	109.5	R260	E258-R260 IonicContact OE1-CZ 3.26Å; E258-R260 IonicContact OE1-NH1 3.76Å; E258-R260 PolarHBondContact OE1-NH1 2.77Å; E258-R260 IonicContact OE1-NH2 2.84Å; E258-R260 WeakPolarHBondContact OE2-CG 3.4Å; E258-R260 IonicContact OE2-CZ 2.99Å; E258-R260 IonicContact OE2-NE 3.94Å; E258-R260 IonicContact OE2-NH1 2.65Å; E258-R260 PolarHBondContact OE2-NH1 3.18Å
259	P	41.6	Very low	34.1	Very low	123 Å²	123	131.7 Å²	131.7	80%	0.799	77%	0.768	S	S	*	*			cis	-140.6	175.8	41.8	40.1	-19	0	0	0	118.9
260	R	28.1	Very low	33.1	Very low	189 Å²	189	135.7 Å²	135.7	71%	0.713	78%	0.776	S	S	*	*			trans	-82.7	170.1	178.7	-55.8	156.9	167.5	95.5	0.3	115.2	E258	E258-R260 IonicContact OE1-CZ 3.26Å; E258-R260 IonicContact OE1-NH1 3.76Å; E258-R260 PolarHBondContact OE1-NH1 2.77Å; E258-R260 IonicContact OE1-NH2 2.84Å; E258-R260 WeakPolarHBondContact OE2-CG 3.4Å; E258-R260 IonicContact OE2-CZ 2.99Å; E258-R260 IonicContact OE2-NE 3.94Å; E258-R260 IonicContact OE2-NH1 2.65Å; E258-R260 PolarHBondContact OE2-NH1 3.18Å
261	V	29.1	Very low	32.7	Very low	149 Å²	149	137.8 Å²	137.8	90%	0.903	78%	0.777	S	S	*	*			trans	-140.4	147.9	130.3	-173.8	0	0	0	0	109.4
262	E	27.4	Very low	32.8	Very low	145 Å²	145	138.5 Å²	138.5	68%	0.678	77%	0.774	S	S	*	*			trans	-152.7	151.7	178.2	-155.8	-146.3	169.9	0	0	112.1
263	K	28.7	Very low	31.8	Very low	161 Å²	161	138.8 Å²	138.8	70%	0.7	77%	0.774	S	S	*	*			trans	66.6	166.4	174.4	-56.5	177.8	168.7	69	0	114.6
264	V	26.2	Very low	31.9	Very low	133 Å²	133	139.1 Å²	139.1	81%	0.806	78%	0.782	S	S	*	*			cis	-134.7	-170.6	18.6	-175.5	0	0	0	0	111.3
265	Q	28	Very low	31.1	Very low	176 Å²	176	144.4 Å²	144.4	82%	0.822	79%	0.786	S	S	*	*			trans	-91.9	173.2	-162.4	-64.3	156.2	-76.2	0	0	117.9
266	S	32.1	Very low	31.6	Very low	107 Å²	107	144 Å²	144	75%	0.748	79%	0.785	S	S	*	*			trans	-49.9	165.4	166.7	56.3	0	0	0	0	116.6
267	P	42.9	Very low	31.6	Very low	127 Å²	127	141.4 Å²	141.4	83%	0.825	78%	0.776	S	S	*	*			cis	-153.3	-150.6	49.3	45.5	-21.9	0	0	0	118.6
268	V	30.9	Very low	31.5	Very low	142 Å²	142	144.9 Å²	144.9	86%	0.861	78%	0.783	S	S	*	*			trans	-81.8	144.4	-162.8	172.4	0	0	0	0	116
269	A	31.8	Very low	31.5	Very low	87 Å²	87	150 Å²	150	72%	0.719	80%	0.797	S	S	*	*			trans	-178.2	136.3	135.3	0	0	0	0	0	116
270	E	29.2	Very low	31.4	Very low	200 Å²	200	149.1 Å²	149.1	94%	0.935	79%	0.791	S	S	*	*			trans	50.1	168.5	142.7	-61.5	-164.7	125	0	0	125.8
271	Q	29.1	Very low	31.3	Very low	180 Å²	180	149.3 Å²	149.3	84%	0.841	80%	0.8	S	S	*	*			trans	-97	163	-177.3	-105.1	-175.2	39.5	0	0	110.7
272	P	38.6	Very low	31.3	Very low	106 Å²	106	148.4 Å²	148.4	69%	0.688	80%	0.795	S	S	*	*				-157.9	163.9	66.7	42.6	-20.9	0	0	0	120.6
273	T	30.1	Very low	31.4	Very low	115 Å²	115	150.8 Å²	150.8	71%	0.706	80%	0.803	S	S	*	*			trans	37.1	124	147.9	58.7	0	0	0	0	122.9
274	T	30.2	Very low	31.6	Very low	150 Å²	150	149.2 Å²	149.2	92%	0.92	81%	0.81	S	S	*	*				-163.1	167.8	113.8	10.9	0	0	0	0	112.4
275	R	30.1	Very low	31.6	Very low	239 Å²	239	148.2 Å²	148.2	90%	0.902	81%	0.808	S	S	*	*			trans	-111.4	165.8	179.1	-112.4	-175.5	-172.7	-179.5	4.4	108.9
276	P	39.4	Very low	31.8	Very low	110 Å²	110	147.1 Å²	147.1	71%	0.714	81%	0.808	S	S	*	*			cis	-147.8	-178.5	48.8	43	-22.3	0	0	0	118.3
277	T	30.1	Very low	31.9	Very low	118 Å²	118	146.8 Å²	146.8	72%	0.724	81%	0.806	S	S	*	*			trans	9.5	128.9	155.8	51.1	0	0	0	0	119.1
278	D	27.4	Very low	31.4	Very low	160 Å²	160	146 Å²	146	86%	0.856	80%	0.803	S	S	*	*				-151.5	-178.9	76.9	-115.7	-25.5	0	0	0	117.1
279	R	29.7	Very low	31.4	Very low	233 Å²	233	144.8 Å²	144.8	88%	0.879	80%	0.801	S	S	*	*			trans	-151.1	169.3	-179.7	-113.7	-170.9	174.4	-168.2	-1.4	109.7
280	P	39.6	Very low	31.6	Very low	104 Å²	104	144.3 Å²	144.3	68%	0.675	80%	0.797	S	S	*	*			cis	-129.2	177.3	-3.4	41.3	-25.7	0	0	0	114.9
281	E	27.4	Very low	31.7	Very low	193 Å²	193	143.5 Å²	143.5	90%	0.902	80%	0.796	S	S	*	*			trans	-79.3	156.6	164.3	-62.9	172.7	116.4	0	0	111.8
282	V	28.7	Very low	32.2	Very low	131 Å²	131	139.3 Å²	139.3	79%	0.794	79%	0.786	S	S	*	*			trans	-132.3	127.6	178.2	176.2	0	0	0	0	110.8
283	F	28.1	Very low	31.9	Very low	195 Å²	195	142.8 Å²	142.8	86%	0.855	79%	0.793	S	S	*	*			trans	-78.7	140.6	171.4	-69.3	-97.3	0	0	0	111.5
284	P	33.3	Very low	32.1	Very low	128 Å²	128	140.8 Å²	140.8	83%	0.831	79%	0.789	S	S	*	*			trans	-84	138.8	159.7	33.5	-30.7	0	0	0	110.8
285	S	27.8	Very low	32.2	Very low	111 Å²	111	140.3 Å²	140.3	78%	0.776	79%	0.785	S	S	*	*			trans	-145	155.1	168	59.4	0	0	0	0	110.2
286	N	31.3	Very low	32.5	Very low	153 Å²	153	135.1 Å²	135.1	82%	0.818	78%	0.78	S	S	*	*			trans	-152.8	115.7	170.9	-97	-34.9	0	0	0	110.8
287	S	33.8	Very low	33.2	Very low	101 Å²	101	135.1 Å²	135.1	71%	0.706	78%	0.78	S	S	*	*				26.7	144.2	127.1	25.1	0	0	0	0	121
288	S	32.9	Very low	33.4	Very low	110 Å²	110	136.7 Å²	136.7	77%	0.769	78%	0.784	S	S	*	*			cis	-171.5	176	1.8	48.4	0	0	0	0	113.1
289	S	30.6	Very low	33.9	Very low	117 Å²	117	133 Å²	133	82%	0.818	78%	0.775	S	S	*	*			trans	89.8	137.4	151.6	-155.6	0	0	0	0	118.3
290	A	35.7	Very low	34	Very low	76 Å²	76	130.4 Å²	130.4	63%	0.628	78%	0.775	S	S	*	*			cis	-171	148.2	-25.6	0	0	0	0	0	110
291	M	32.5	Very low	33.7	Very low	184 Å²	184	131.4 Å²	131.4	91%	0.906	78%	0.779	S	S	*	*			trans	159.3	151.1	134.4	-86.4	-64.7	168	0	0	112.6
292	S	38.5	Very low	34.9	Very low	92 Å²	92	127.6 Å²	127.6	64%	0.643	77%	0.771	S	S	*	*			trans	-80.1	-177.5	-177.3	-38.1	0	0	0	0	113.7
293	E	33.6	Very low	36	Very low	178 Å²	178	126.3 Å²	126.3	83%	0.832	77%	0.766	S	S	*	*			cis	-163.7	-173.5	7.1	-136	148.4	82.8	0	0	107.3
294	A	33.5	Very low	36.4	Very low	74 Å²	74	121.4 Å²	121.4	61%	0.612	76%	0.761	S	S	*	*			cis	-163.1	-178.9	5.8	0	0	0	0	0	110.8
295	V	32.1	Very low	36.5	Very low	139 Å²	139	122.1 Å²	122.1	84%	0.842	76%	0.763	S	S	*	*			trans	79.8	140.3	158.1	-168.7	0	0	0	0	119.7
296	V	36.7	Very low	36.7	Very low	130 Å²	130	120.5 Å²	120.5	79%	0.788	76%	0.764	S	S	*	*			trans	-157.7	173.8	-177.2	-123.2	0	0	0	0	106.3
297	P	54.3	Low	36.8	Very low	110 Å²	110	118.2 Å²	118.2	71%	0.714	76%	0.76	S	S	*	*			cis	-140.5	-173.8	-3.8	43.9	-25.1	0	0	0	116.5
298	D	34.2	Very low	37.1	Very low	152 Å²	152	119.1 Å²	119.1	81%	0.813	76%	0.756	S	S	*	*			trans	60.4	137.6	141.5	-129.6	-12.3	0	0	0	124.3
299	A	36.9	Very low	37.3	Very low	82 Å²	82	124.6 Å²	124.6	68%	0.678	76%	0.761	S	S	*	*				163.3	129.1	110	0	0	0	0	0	116
300	M	32.8	Very low	37.4	Very low	178 Å²	178	123 Å²	123	88%	0.877	76%	0.763	S	S	*	*			trans	74.6	164.3	145.4	-68.3	179	68.7	0	0	122.7
301	V	34	Very low	37.7	Very low	126 Å²	126	127.2 Å²	127.2	76%	0.764	77%	0.77	S	S	*	*			trans	-172.6	164.1	-139.5	167.2	0	0	0	0	106.4
302	P	51.2	Low	38	Very low	112 Å²	112	126.4 Å²	126.4	73%	0.727	76%	0.761	S	S	*	*			cis	-122.2	-126.4	-22.3	35.3	-12.4	0	0	0	109.5
303	P	51.9	Low	38	Very low	105 Å²	105	127.1 Å²	127.1	68%	0.682	77%	0.773	S	S	*	*			cis	-134.5	173.6	-34.5	36.6	-18.3	0	0	0	117.4
304	A	36.4	Very low	38.2	Very low	92 Å²	92	122.8 Å²	122.8	76%	0.76	78%	0.776	S	S	*	*			trans	67.1	162.8	139.6	0	0	0	0	0	121
305	V	36.7	Very low	38.2	Very low	142 Å²	142	122.6 Å²	122.6	86%	0.861	78%	0.781	S	S	*	*			cis	-161	145.7	-27.1	139.1	0	0	0	0	105.5
306	G	31.3	Very low	38.7	Very low	78 Å²	78	120.7 Å²	120.7	80%	0.804	78%	0.78	S	S	*	*			trans	-176.2	71.5	-179.1	0	0	0	0	0	118.8
307	S	34.2	Very low	38.9	Very low	104 Å²	104	121.9 Å²	121.9	73%	0.727	78%	0.779	S	S	*	*			trans	-65	161.7	166.2	-54.5	0	0	0	0	113
308	L	38.2	Very low	38.6	Very low	121 Å²	121	122.2 Å²	122.2	63%	0.634	78%	0.779	S	S	*	*			cis	-165.7	-178.7	-10.5	-135.9	92.4	0	0	0	109.5
309	Y	37.8	Very low	39.2	Very low	224 Å²	224	121.5 Å²	121.5	88%	0.878	78%	0.775	S	S	*	*			trans	75.9	136.5	161.8	-58.2	-65.8	0	0	0	120.5
310	G	32.9	Very low	39.9	Very low	83 Å²	83	126.7 Å²	126.7	86%	0.856	78%	0.782	S	S	*	*			trans	159	104.8	172.5	0	0	0	0	0	111.1
311	E	41.8	Very low	41.5	Very low	165 Å²	165	122.1 Å²	122.1	77%	0.771	77%	0.768	S	S	*	*			trans	-106.8	153.4	-171.2	-153.7	-154.8	129	0	0	113.2
312	K	39.5	Very low	43.3	Very low	167 Å²	167	124.4 Å²	124.4	73%	0.726	76%	0.764	S	S	*	*			trans	89.4	106.2	161.1	-57.6	-171.4	-179.3	177.9	0	120.4
313	A	38.8	Very low	43.9	Very low	108 Å²	108	124.7 Å²	124.7	89%	0.893	76%	0.763	S	S	*	*				75.9	157.8	124	0	0	0	0	0	120.3
314	G	36.9	Very low	45.1	Very low	86 Å²	86	120.4 Å²	120.4	89%	0.887	74%	0.739	S	S	*	*			trans	105.5	27.9	157.7	0	0	0	0	0	118
315	G	34.3	Very low	47.3	Very low	70 Å²	70	123.3 Å²	123.3	72%	0.722	74%	0.74	S	S	*	*			trans	-165.8	91.3	176.7	0	0	0	0	0	115.3	M317	G315-M317 PolarHBondContact O-N 2.91Å
316	A	41.5	Very low	49.5	Very low	99 Å²	99	121.7 Å²	121.7	82%	0.818	73%	0.726	S	S	*	*			trans	-72.9	82.8	151	0	0	0	0	0	107.1	V318	A316-V318 PolarHBondContact O-N 2.87Å
317	M	42.1	Very low	52	Low	156 Å²	156	118.8 Å²	118.8	77%	0.768	70%	0.695	S	S	*	*			trans	-59	108.5	170.8	179.9	164.6	172.4	0	0	106.9	G315 D319	G315-M317 PolarHBondContact O-N 2.91Å; M317-D319 PolarHBondContact O-N 3.3Å
318	V	48.4	Very low	54.5	Low	117 Å²	117	118 Å²	118	71%	0.709	68%	0.682	S	S	*	*			trans	-67.7	102.5	174	179.9	0	0	0	0	105.6	A316 F320	A316-V318 PolarHBondContact O-N 2.87Å; V318-F320 PolarHBondContact O-N 3.15Å
319	D	46.4	Very low	56.8	Low	136 Å²	136	118.7 Å²	118.7	73%	0.727	69%	0.685	S	S	*	*			trans	-49.7	117.9	171.4	-91.1	-35.9	0	0	0	107.9	M317 S321	M317-D319 PolarHBondContact O-N 3.3Å; D319-S321 PolarHBondContact O-N 2.93Å
320	F	51.8	Low	59	Low	191 Å²	191	110.7 Å²	110.7	84%	0.838	66%	0.656	S	S	*	*			trans	-69.4	82.6	174.6	-80.4	-89.3	0	0	0	107.4	V318 Y322	V318-F320 PolarHBondContact O-N 3.15Å; F320-Y322 PolarHBondContact O-N 3.49Å
321	S	64.4	Low	61.4	Low	83 Å²	83	110.9 Å²	110.9	58%	0.58	63%	0.634	S	S	*	*			trans	-50.3	114.9	-164.6	65	0	0	0	0	110.5	D319 V323	D319-S321 PolarHBondContact O-N 2.93Å; S321-V323 WeakPolarHBondContact O-CG2 3.14Å; S321-V323 PolarHBondContact O-N 3.15Å
322	Y	73.4	Confident	63.5	Low	174 Å²	174	108.7 Å²	108.7	68%	0.682	63%	0.626	S	S	*	*			trans	-27.4	114.8	-169.5	175.6	-103.5	0	0	0	114.6	F320 G324 D326	F320-Y322 PolarHBondContact O-N 3.49Å; Y322-G324 PolarHBondContact O-N 3.32Å; Y322-D326 WeakPolarHBondContact CE1-OD1 3.28Å
323	V	62.2	Low	65.5	Low	117 Å²	117	106.5 Å²	106.5	71%	0.709	61%	0.613	S	S	*	*			trans	-100.3	65.1	-175.3	-169.6	0	0	0	0	109.7	S321	S321-V323 WeakPolarHBondContact O-CG2 3.14Å; S321-V323 PolarHBondContact O-N 3.15Å
324	G	77.8	Confident	67.6	Low	16 Å²	16	107.4 Å²	107.4	17%	0.165	59%	0.593	C	S	.	*			trans	-89	171.8	171.3	0	0	0	0	0	113.3	Y322 D326 A327	Y322-G324 PolarHBondContact O-N 3.32Å; G324-D326 VanDerWaalsContact C-OD1 3.25Å; G324-D326 VanDerWaalsContact CA-OD1 3.24Å; G324-D326 WeakPolarHBondContact CA-OD1 3.38Å; G324-A327 WeakPolarHBondContact O-CB 3.43Å; G324-A327 PolarHBondContact O-N 2.96Å
325	I	83.3	Confident	69.8	Low	153 Å²	153	110 Å²	110	79%	0.785	58%	0.58	S	S	*	*	S	Bend	trans	-71.4	-34.8	176	-62.3	175.2	0	0	0	110.6	A327 I328	I325-A327 PolarHBondContact O-N 3.36Å; I325-I328 WeakPolarHBondContact O-CB 3.17Å; I325-I328 WeakPolarHBondContact O-CG2 2.93Å; I325-I328 PolarHBondContact O-N 3.04Å
326	D	83.5	Confident	72.1	Confident	107 Å²	107	108.3 Å²	108.3	57%	0.572	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	-37.7	168.7	62.6	-47.3	0	0	0	112.4	Y322 G324 I328	Y322-D326 WeakPolarHBondContact CE1-OD1 3.28Å; G324-D326 VanDerWaalsContact C-OD1 3.25Å; G324-D326 VanDerWaalsContact CA-OD1 3.24Å; G324-D326 WeakPolarHBondContact CA-OD1 3.38Å; D326-I328 PolarHBondContact O-N 2.6Å
327	A	83.3	Confident	74.1	Confident	18 Å²	18	106.2 Å²	106.2	15%	0.149	53%	0.533	C	S	.	.	H	α-helix	trans	-69.5	-12	176.3	0	0	0	0	0	113.6	G324 I325 L329 E330 Q331	G324-A327 WeakPolarHBondContact O-CB 3.43Å; G324-A327 PolarHBondContact O-N 2.96Å; I325-A327 PolarHBondContact O-N 3.36Å; A327-L329 VanDerWaalsContact C-N 3.32Å; A327-L329 PolarHBondContact O-N 3.41Å; A327-E330 PolarHBondContact O-N 2.75Å; A327-Q331 WeakPolarHBondContact O-CG 3.2Å; A327-Q331 PolarHBondContact O-N 3.49Å
328	I	87.3	Confident	75.9	Confident	87 Å²	87	108 Å²	108	45%	0.446	54%	0.537	S	S	.	.	H	α-helix	trans	-63.5	-36.7	-175.8	-151.9	172.5	0	0	0	112.4	I325 D326 E330 Q331 M332	I325-I328 WeakPolarHBondContact O-CB 3.17Å; I325-I328 WeakPolarHBondContact O-CG2 2.93Å; I325-I328 PolarHBondContact O-N 3.04Å; D326-I328 PolarHBondContact O-N 2.6Å; I328-E330 PolarHBondContact O-N 3.05Å; I328-Q331 PolarHBondContact O-N 2.88Å; I328-M332 WeakPolarHBondContact O-CB 3.46Å; I328-M332 VanDerWaalsContact O-CG 3.29Å; I328-M332 WeakPolarHBondContact O-CG 3.37Å; I328-M332 PolarHBondContact O-N 3.1Å
329	L	85.8	Confident	77.4	Confident	135 Å²	135	107.2 Å²	107.2	71%	0.707	53%	0.525	S	S	*	.	H	α-helix	trans	-62.8	-43.4	176.6	-75.5	165.8	0	0	0	111.1	A327 M332 R333	A327-L329 VanDerWaalsContact C-N 3.32Å; A327-L329 PolarHBondContact O-N 3.41Å; L329-M332 PolarHBondContact O-N 2.91Å; L329-R333 WeakPolarHBondContact O-CB 3.46Å; L329-R333 PolarHBondContact O-N 3.37Å
330	E	84.2	Confident	79.1	Confident	56 Å²	56	101.3 Å²	101.3	26%	0.262	50%	0.497	S	S	.	.	H	α-helix	trans	-71.7	-35.5	177.5	174.4	60.6	-176.8	0	0	111.9	A327 I328 R333 R334	A327-E330 PolarHBondContact O-N 2.75Å; I328-E330 PolarHBondContact O-N 3.05Å; E330-R333 VanDerWaalsContact CD-NH2 3.26Å; E330-R333 PolarHBondContact O-N 2.91Å; E330-R333 IonicContact OE1-CZ 3.95Å; E330-R333 IonicContact OE1-NH2 3.71Å; E330-R333 PolarHBondContact OE1-NH2 3.02Å; E330-R333 IonicContact OE2-CZ 2.72Å; E330-R333 IonicContact OE2-NE 2.7Å; E330-R333 PolarHBondContact OE2-NE 3.06Å; E330-R333 IonicContact OE2-NH2 2.66Å; E330-R333 PolarHBondContact OE2-NH2 2.73Å; E330-R334 VanDerWaalsContact CG-NH2 3.33Å; E330-R334 WeakPolarHBondContact O-CB 3.44Å; E330-R334 WeakPolarHBondContact O-CG 3.19Å; E330-R334 PolarHBondContact O-N 3.08Å; E330-R334 IonicContact OE1-CZ 2.71Å; E330-R334 VanDerWaalsContact OE1-CZ 3.23Å; E330-R334 IonicContact OE1-NE 3.97Å; E330-R334 PolarHBondContact OE1-NE 2.76Å; E330-R334 IonicContact OE1-NH2 3.96Å; E330-R334 PolarHBondContact OE1-NH2 3.19Å
331	Q	83.4	Confident	80.8	Confident	87 Å²	87	95.1 Å²	95.1	41%	0.407	47%	0.47	S	S	.	.	H	α-helix	trans	-64	-44.8	171.5	-70.2	175.9	25.3	0	0	111.7	A327 I328 R334 K335	A327-Q331 WeakPolarHBondContact O-CG 3.2Å; A327-Q331 PolarHBondContact O-N 3.49Å; I328-Q331 PolarHBondContact O-N 2.88Å; Q331-R334 PolarHBondContact O-N 3.48Å; Q331-K335 VanDerWaalsContact O-CB 3.31Å; Q331-K335 WeakPolarHBondContact O-CB 3.46Å; Q331-K335 PolarHBondContact O-N 3.26Å
332	M	84.7	Confident	82	Confident	120 Å²	120	92.6 Å²	92.6	59%	0.591	45%	0.449	S	S	*	.	H	α-helix	trans	-62.1	-44.7	174.3	-74.3	176.6	67.7	0	0	111.3	I328 L329 K335 A336	I328-M332 WeakPolarHBondContact O-CB 3.46Å; I328-M332 VanDerWaalsContact O-CG 3.29Å; I328-M332 WeakPolarHBondContact O-CG 3.37Å; I328-M332 PolarHBondContact O-N 3.1Å; L329-M332 PolarHBondContact O-N 2.91Å; M332-K335 PolarHBondContact O-N 3.42Å; M332-A336 WeakPolarHBondContact O-CB 3.17Å; M332-A336 PolarHBondContact O-N 3.06Å
333	R	82.7	Confident	83	Confident	121 Å²	121	84.4 Å²	84.4	46%	0.457	42%	0.417	S	S	.	.	H	α-helix	trans	-61.1	-47	176	-166.8	-175	70.1	92.8	4.9	111.9	L329 E330 K335 A336 M337	L329-R333 WeakPolarHBondContact O-CB 3.46Å; L329-R333 PolarHBondContact O-N 3.37Å; E330-R333 VanDerWaalsContact CD-NH2 3.26Å; E330-R333 PolarHBondContact O-N 2.91Å; E330-R333 IonicContact OE1-CZ 3.95Å; E330-R333 IonicContact OE1-NH2 3.71Å; E330-R333 PolarHBondContact OE1-NH2 3.02Å; E330-R333 IonicContact OE2-CZ 2.72Å; E330-R333 IonicContact OE2-NE 2.7Å; E330-R333 PolarHBondContact OE2-NE 3.06Å; E330-R333 IonicContact OE2-NH2 2.66Å; E330-R333 PolarHBondContact OE2-NH2 2.73Å; R333-K335 VanDerWaalsContact C-N 3.34Å; R333-K335 PolarHBondContact O-N 2.67Å; R333-A336 PolarHBondContact O-N 3.12Å; R333-M337 HydrophobicContact CG-SD 4.39Å; R333-M337 PolarHBondContact NH1-SD 2.99Å; R333-M337 VanDerWaalsContact NH1-SD 3.39Å; R333-M337 WeakPolarHBondContact O-CB 3.48Å; R333-M337 WeakPolarHBondContact O-CG 3.25Å; R333-M337 PolarHBondContact O-N 3.33Å
334	R	82.6	Confident	84.6	Confident	126 Å²	126	79.2 Å²	79.2	48%	0.475	39%	0.385	S	S	.	.	H	α-helix	trans	-61.2	-40	174.9	-73.6	172.5	-171	174.5	11.1	112.1	E330 Q331 K338	E330-R334 VanDerWaalsContact CG-NH2 3.33Å; E330-R334 WeakPolarHBondContact O-CB 3.44Å; E330-R334 WeakPolarHBondContact O-CG 3.19Å; E330-R334 PolarHBondContact O-N 3.08Å; E330-R334 IonicContact OE1-CZ 2.71Å; E330-R334 VanDerWaalsContact OE1-CZ 3.23Å; E330-R334 IonicContact OE1-NE 3.97Å; E330-R334 PolarHBondContact OE1-NE 2.76Å; E330-R334 IonicContact OE1-NH2 3.96Å; E330-R334 PolarHBondContact OE1-NH2 3.19Å; Q331-R334 PolarHBondContact O-N 3.48Å; R334-K338 WeakPolarHBondContact O-CB 3.25Å; R334-K338 WeakPolarHBondContact O-CG 3.34Å; R334-K338 PolarHBondContact O-N 2.82Å
335	K	83.9	Confident	85.5	Confident	141 Å²	141	78.5 Å²	78.5	61%	0.613	38%	0.377	S	S	*	.	H	α-helix	trans	-64.1	-49.2	175.5	-177.5	-175.4	174.1	-170.7	0	110.8	Q331 M332 R333 K338 Q339	Q331-K335 VanDerWaalsContact O-CB 3.31Å; Q331-K335 WeakPolarHBondContact O-CB 3.46Å; Q331-K335 PolarHBondContact O-N 3.26Å; M332-K335 PolarHBondContact O-N 3.42Å; R333-K335 VanDerWaalsContact C-N 3.34Å; R333-K335 PolarHBondContact O-N 2.67Å; K335-K338 PolarHBondContact O-N 3.07Å; K335-Q339 VanDerWaalsContact O-CB 3.26Å; K335-Q339 WeakPolarHBondContact O-CB 3.31Å; K335-Q339 PolarHBondContact O-N 2.91Å
336	A	81.5	Confident	86.1	Confident	35 Å²	35	71.2 Å²	71.2	29%	0.289	34%	0.34	S	S	.	.	H	α-helix	trans	-61.1	-44.1	177.6	0	0	0	0	0	112.2	M332 R333 K338 Q339 G340 F341	M332-A336 WeakPolarHBondContact O-CB 3.17Å; M332-A336 PolarHBondContact O-N 3.06Å; R333-A336 PolarHBondContact O-N 3.12Å; A336-K338 PolarHBondContact O-N 2.74Å; A336-Q339 PolarHBondContact O-N 2.74Å; A336-G340 PolarHBondContact O-N 2.67Å; A336-F341 HydrophobicContact CB-CZ 4.28Å
337	M	82.6	Confident	86.7	Confident	55 Å²	55	66.2 Å²	66.2	27%	0.271	31%	0.314	S	S	.	.	H	α-helix	trans	-61.8	-40.1	175.5	-77.9	-179.9	148.2	0	0	113	R333 V398	R333-M337 HydrophobicContact CG-SD 4.39Å; R333-M337 PolarHBondContact NH1-SD 2.99Å; R333-M337 VanDerWaalsContact NH1-SD 3.39Å; R333-M337 WeakPolarHBondContact O-CB 3.48Å; R333-M337 WeakPolarHBondContact O-CG 3.25Å; R333-M337 PolarHBondContact O-N 3.33Å; M337-V398 HydrophobicContact CE-CG2 3.68Å; M337-V398 HydrophobicContact CG-CG2 4.18Å
338	K	80.4	Confident	87.4	Confident	194 Å²	194	65.4 Å²	65.4	84%	0.843	31%	0.307	S	S	*	.	H	α-helix	trans	-72	-31.5	174.6	-74.3	-179.8	178.1	-175.8	0	113.2	R334 K335 A336	R334-K338 WeakPolarHBondContact O-CB 3.25Å; R334-K338 WeakPolarHBondContact O-CG 3.34Å; R334-K338 PolarHBondContact O-N 2.82Å; K335-K338 PolarHBondContact O-N 3.07Å; A336-K338 PolarHBondContact O-N 2.74Å
339	Q	80	Confident	87.7	Confident	99 Å²	99	61.2 Å²	61.2	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-77	-42.1	179.8	-173.1	171	-29.8	0	0	111.4	K335 A336 R446	K335-Q339 VanDerWaalsContact O-CB 3.26Å; K335-Q339 WeakPolarHBondContact O-CB 3.31Å; K335-Q339 PolarHBondContact O-N 2.91Å; A336-Q339 PolarHBondContact O-N 2.74Å; Q339-R446 VanDerWaalsContact O-CZ 3.32Å; Q339-R446 PolarHBondContact O-NH1 3.18Å; Q339-R446 PolarHBondContact O-NH2 3.24Å
340	G	83	Confident	88.1	Confident	13 Å²	13	56.8 Å²	56.8	13%	0.134	26%	0.261	C	S	.	.			trans	66.5	164.2	-170.2	0	0	0	0	0	113	A336 R399 R446	A336-G340 PolarHBondContact O-N 2.67Å; G340-R399 CarbonylContact C-O 3.57Å; G340-R399 WeakPolarHBondContact CA-O 3.38Å; G340-R446 PolarHBondContact O-NH2 2.82Å
341	F	86.4	Confident	88.5	Confident	60 Å²	60	55.4 Å²	55.4	26%	0.263	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	150.1	-177.8	-62.1	-89.2	0	0	0	111.5	A336 V398 R399 M400 K401 M589	A336-F341 HydrophobicContact CB-CZ 4.28Å; F341-V398 HydrophobicContact CD2-CG1 3.71Å; F341-V398 HydrophobicContact CE2-CG1 3.63Å; F341-R399 PolarHBondContact N-O 2.74Å; F341-M400 HydrophobicContact CB-CB 4.29Å; F341-M400 HydrophobicContact CB-CG 4.24Å; F341-M400 CarbonylContact O-C 3.52Å; F341-M400 WeakPolarHBondContact O-CA 3.35Å; F341-K401 PolarHBondContact O-N 2.96Å; F341-M589 HydrophobicContact CB-CE 4.15Å; F341-M589 HydrophobicContact CB-SD 4.39Å; F341-M589 HydrophobicContact CD1-CE 3.8Å; F341-M589 HydrophobicContact CD2-CE 4.46Å; F341-M589 HydrophobicContact CE1-CE 4.34Å; F341-M589 HydrophobicContact CG-CE 3.87Å
342	E	90.9	Very high	88.8	Confident	31 Å²	31	54 Å²	54	15%	0.145	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.9	175	-74.9	164.4	-113.2	0	0	108	K401 R446 D449 K593	E342-K401 HydrophobicContact CG-CB 4.41Å; E342-R446 IonicContact OE1-CZ 2.8Å; E342-R446 VanDerWaalsContact OE1-CZ 3.26Å; E342-R446 IonicContact OE1-NE 3.86Å; E342-R446 PolarHBondContact OE1-NE 3.28Å; E342-R446 VanDerWaalsContact OE1-NE 3.17Å; E342-R446 IonicContact OE1-NH2 2.71Å; E342-R446 PolarHBondContact OE1-NH2 2.93Å; E342-D449 PolarHBondContact OE2-N 3.5Å; E342-K593 WeakPolarHBondContact O-CD 3.38Å; E342-K593 PolarHBondContact O-NZ 2.8Å
343	L	93.5	Very high	89.3	Confident	2 Å²	2	49 Å²	49	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.5	179.6	-177.4	64.9	0	0	0	109.4	I345 M400 K401 L402 T403 H453 L584 I585 M589 K593	L343-I345 HydrophobicContact CD2-CD1 3.98Å; L343-I345 HydrophobicContact CD2-CG1 4.25Å; L343-I345 HydrophobicContact CG-CD1 4.35Å; L343-I345 HydrophobicContact CG-CG1 4.06Å; L343-M400 HydrophobicContact CB-SD 4.38Å; L343-M400 HydrophobicContact CD2-SD 4.46Å; L343-K401 PolarHBondContact N-O 3.26Å; L343-L402 HydrophobicContact CB-CD1 4.33Å; L343-L402 HydrophobicContact CD2-CD1 4.12Å; L343-L402 HydrophobicContact CG-CD1 4.21Å; L343-L402 CarbonylContact O-C 3.58Å; L343-L402 WeakPolarHBondContact O-CA 3.26Å; L343-T403 PolarHBondContact O-N 3.39Å; L343-H453 HydrophobicContact CD1-CB 3.93Å; L343-L584 WeakPolarHBondContact CD2-O 3.19Å; L343-I585 HydrophobicContact CD2-CG2 4.26Å; L343-M589 HydrophobicContact CD1-CG 4.17Å; L343-M589 HydrophobicContact CD2-CG 3.99Å; L343-M589 HydrophobicContact CD2-SD 4.37Å; L343-M589 HydrophobicContact CG-CG 4.5Å; L343-K593 HydrophobicContact CD1-CG 4.42Å
344	N	95.8	Very high	89.7	Confident	8 Å²	8	44.3 Å²	44.3	4%	0.043	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.4	179.5	-49.6	-48.5	0	0	0	109.8	T403 I405 D449 R451 I452 H453	N344-T403 CarbonylContact C-O 3.55Å; N344-T403 WeakPolarHBondContact CA-O 3.41Å; N344-T403 WeakPolarHBondContact OD1-CB 3.47Å; N344-T403 PolarHBondContact OD1-OG1 3.16Å; N344-I405 HydrophobicContact CB-CD1 4.11Å; N344-D449 PolarHBondContact ND2-O 3.1Å; N344-R451 WeakPolarHBondContact CB-O 3.24Å; N344-R451 PolarHBondContact ND2-O 3.02Å; N344-I452 HydrophobicContact CB-CD1 4.45Å; N344-H453 PolarHBondContact N-ND1 3.25Å; N344-H453 PolarHBondContact ND2-CE1 2.82Å; N344-H453 WeakPolarHBondContact O-CB 3.12Å; N344-H453 PolarHBondContact O-N 3.03Å
345	I	95.9	Very high	90.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.2	-177.1	-53.3	-178.5	0	0	0	108.8	L343 L362 L402 T403 V404 I405 C454 I456 L584	L343-I345 HydrophobicContact CD2-CD1 3.98Å; L343-I345 HydrophobicContact CD2-CG1 4.25Å; L343-I345 HydrophobicContact CG-CD1 4.35Å; L343-I345 HydrophobicContact CG-CG1 4.06Å; I345-L362 HydrophobicContact CD1-CD2 4.4Å; I345-L402 HydrophobicContact CD1-CD1 3.78Å; I345-L402 HydrophobicContact CG1-CD1 3.96Å; I345-T403 PolarHBondContact N-O 3.44Å; I345-V404 CarbonylContact O-C 3.58Å; I345-V404 VanDerWaalsContact O-CA 3.28Å; I345-V404 WeakPolarHBondContact O-CA 3.19Å; I345-I405 WeakPolarHBondContact O-CD1 3.37Å; I345-I405 PolarHBondContact O-N 2.92Å; I345-C454 CarbonylContact C-O 3.58Å; I345-C454 WeakPolarHBondContact CA-O 3.36Å; I345-C454 HydrophobicContact CG2-CB 4.45Å; I345-I456 HydrophobicContact CG2-CD1 3.73Å; I345-I456 HydrophobicContact CG2-CG1 3.72Å; I345-L584 HydrophobicContact CD1-CB 4.23Å; I345-L584 HydrophobicContact CD1-CD1 4.28Å; I345-L584 HydrophobicContact CD1-CD2 4.31Å
346	M	96.9	Very high	90.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	143.5	172.7	-172.9	-173	-81.6	0	0	110.7	V348 I405 T407 I423 F426 I427 I452 C454 C455 I456	M346-V348 HydrophobicContact CG-CG2 3.87Å; M346-V348 HydrophobicContact SD-CG2 3.66Å; M346-I405 WeakPolarHBondContact CA-O 3.29Å; M346-I405 HydrophobicContact CB-CB 4.29Å; M346-I405 HydrophobicContact CE-CG2 4.33Å; M346-I405 HydrophobicContact CG-CB 4.22Å; M346-I405 HydrophobicContact CG-CG2 4.29Å; M346-T407 HydrophobicContact CG-CG2 3.62Å; M346-T407 HydrophobicContact SD-CG2 3.97Å; M346-I423 HydrophobicContact CE-CG2 4.45Å; M346-I423 HydrophobicContact SD-CG2 3.56Å; M346-I423 VanDerWaalsContact SD-CG2 3.56Å; M346-F426 HydrophobicContact CE-CD1 3.4Å; M346-F426 VanDerWaalsContact CE-CD1 3.4Å; M346-F426 HydrophobicContact CE-CE1 3.88Å; M346-F426 HydrophobicContact CE-CG 4.36Å; M346-I427 HydrophobicContact CE-CD1 4.44Å; M346-I427 HydrophobicContact CE-CG1 3.9Å; M346-I427 HydrophobicContact SD-CD1 4.33Å; M346-I427 HydrophobicContact SD-CG1 4.42Å; M346-I452 HydrophobicContact CB-CG2 3.7Å; M346-I452 HydrophobicContact CE-CD1 4.37Å; M346-I452 HydrophobicContact CE-CG1 4.14Å; M346-C454 PolarHBondContact N-O 3.49Å; M346-C455 CarbonylContact O-C 3.59Å; M346-C455 WeakPolarHBondContact O-CA 3.48Å; M346-I456 PolarHBondContact O-N 3.21Å
347	V	96.3	Very high	91.1	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	111.5	177.9	-166.2	0	0	0	0	109.9	K355 V404 I405 T407 F458	V347-K355 HydrophobicContact CB-CB 4.46Å; V347-K355 HydrophobicContact CG1-CB 3.69Å; V347-K355 HydrophobicContact CG1-CD 4.13Å; V347-K355 HydrophobicContact CG1-CG 4.07Å; V347-V404 HydrophobicContact CG2-CG1 3.66Å; V347-I405 PolarHBondContact N-O 3.27Å; V347-T407 WeakPolarHBondContact O-CG2 3.2Å; V347-T407 PolarHBondContact O-OG1 3.46Å; V347-F458 HydrophobicContact CG1-CD2 3.79Å; V347-F458 HydrophobicContact CG1-CE2 3.29Å; V347-F458 HydrophobicContact CG1-CZ 3.91Å
348	V	96.6	Very high	91.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.7	-172.8	172.7	0	0	0	0	110.3	M346 T407 F410 I423 C455 I456 Y457 F458 F473	M346-V348 HydrophobicContact CG-CG2 3.87Å; M346-V348 HydrophobicContact SD-CG2 3.66Å; V348-T407 HydrophobicContact CG2-CG2 4.07Å; V348-F410 HydrophobicContact CG1-CE1 3.86Å; V348-I423 HydrophobicContact CG2-CG2 3.85Å; V348-C455 WeakPolarHBondContact CG2-SG 3.13Å; V348-I456 PolarHBondContact N-O 3.39Å; V348-Y457 HydrophobicContact CB-CD2 4.26Å; V348-Y457 HydrophobicContact CG1-CD2 3.83Å; V348-Y457 HydrophobicContact CG1-CE2 3.83Å; V348-F458 PolarHBondContact O-N 3.49Å; V348-F473 HydrophobicContact CG1-CD1 4.43Å; V348-F473 HydrophobicContact CG1-CE1 3.69Å; V348-F473 HydrophobicContact CG1-CZ 3.73Å
349	G	95.1	Very high	91.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.3	175.7	178.6	0	0	0	0	0	112.6	K355	G349-K355 PolarHBondContact O-NZ 3.22Å
350	Q	93.6	Very high	92.2	Very high	41 Å²	41	19.8 Å²	19.8	19%	0.192	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-59	156.2	178.8	-179	168.2	25.5	0	0	112.6	L353 F410 G411	Q350-L353 HydrophobicContact CB-CD1 3.85Å; Q350-L353 HydrophobicContact CB-CG 4.01Å; Q350-F410 VanDerWaalsContact CA-O 3.31Å; Q350-F410 WeakPolarHBondContact CA-O 3.29Å; Q350-F410 WeakPolarHBondContact CG-O 3.27Å; Q350-G411 PolarHBondContact NE2-O 3.01Å
351	S	91.6	Very high	92.5	Very high	27 Å²	27	19.1 Å²	19.1	19%	0.189	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	151.5	167	-159	0	0	0	0	112.4	L353 D412	S351-L353 PolarHBondContact O-N 3.04Å; S351-D412 WeakPolarHBondContact CB-OD1 3.09Å; S351-D412 WeakPolarHBondContact CB-OD2 3.28Å; S351-D412 PolarHBondContact OG-OD2 3.36Å
352	G	90.5	Very high	92.4	Very high	58 Å²	58	16.7 Å²	16.7	60%	0.598	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.3	-4.5	174.5	0	0	0	0	0	116.9	G354 K489	G352-G354 PolarHBondContact O-N 3.45Å; G352-K489 WeakPolarHBondContact O-CE 3.4Å; G352-K489 PolarHBondContact O-NZ 3.03Å
353	L	94.4	Very high	91.9	Very high	15 Å²	15	15.8 Å²	15.8	8%	0.079	11%	0.106	C	C	.	.	S	Bend	trans	-71.1	-10.7	178.2	-64.3	-172.6	0	0	0	114.3	Q350 S351 F458 P460 A488	Q350-L353 HydrophobicContact CB-CD1 3.85Å; Q350-L353 HydrophobicContact CB-CG 4.01Å; S351-L353 PolarHBondContact O-N 3.04Å; L353-F458 HydrophobicContact CB-CB 4.37Å; L353-F458 HydrophobicContact CB-CD1 3.92Å; L353-F458 HydrophobicContact CD1-CB 3.78Å; L353-F458 WeakPolarHBondContact CD1-O 3.46Å; L353-P460 HydrophobicContact CD1-CG 4.07Å; L353-P460 HydrophobicContact CD2-CB 3.98Å; L353-P460 HydrophobicContact CD2-CG 4.23Å; L353-A488 HydrophobicContact CB-CB 3.89Å; L353-A488 HydrophobicContact CD1-CB 4.35Å; L353-A488 HydrophobicContact CD2-CB 4.36Å; L353-A488 HydrophobicContact CG-CB 4.44Å
354	G	92.4	Very high	91.2	Very high	22 Å²	22	20 Å²	20	23%	0.227	12%	0.124	C	C	.	.			trans	94.5	21.5	177.4	0	0	0	0	0	115.3	G352 S356 T357 L358	G352-G354 PolarHBondContact O-N 3.45Å; G354-S356 PolarHBondContact O-N 3.42Å; G354-T357 WeakPolarHBondContact O-CA 3.22Å; G354-T357 WeakPolarHBondContact O-CB 3.46Å; G354-T357 PolarHBondContact O-N 2.99Å; G354-L358 PolarHBondContact O-N 2.89Å
355	K	93.3	Very high	89.9	Confident	12 Å²	12	19.8 Å²	19.8	5%	0.052	12%	0.122	C	C	.	.	H	α-helix	trans	-46.9	-58.2	178	-56.8	-157.8	-53.4	-90.9	0	112.6	V347 G349 T357 L358 M359 T407 P408 F458	V347-K355 HydrophobicContact CB-CB 4.46Å; V347-K355 HydrophobicContact CG1-CB 3.69Å; V347-K355 HydrophobicContact CG1-CD 4.13Å; V347-K355 HydrophobicContact CG1-CG 4.07Å; G349-K355 PolarHBondContact O-NZ 3.22Å; K355-T357 VanDerWaalsContact C-N 3.28Å; K355-T357 PolarHBondContact O-N 3.27Å; K355-L358 PolarHBondContact O-N 3.07Å; K355-L358 VanDerWaalsContact O-N 3.14Å; K355-M359 PolarHBondContact O-N 3.17Å; K355-T407 WeakPolarHBondContact CE-O 3.48Å; K355-T407 PolarHBondContact NZ-O 2.81Å; K355-P408 PolarHBondContact NZ-O 3.23Å; K355-F458 HydrophobicContact CG-CD1 4.03Å; K355-F458 HydrophobicContact CG-CD2 4.44Å; K355-F458 HydrophobicContact CG-CE1 4.24Å; K355-F458 HydrophobicContact CG-CG 4.14Å
356	S	91.1	Very high	88.1	Confident	17 Å²	17	26.5 Å²	26.5	12%	0.119	15%	0.152	C	C	.	.	H	α-helix	trans	-64.8	-29.8	179.7	-29.3	0	0	0	0	112.9	G354 N360 T383 D406	G354-S356 PolarHBondContact O-N 3.42Å; S356-N360 PolarHBondContact O-N 2.89Å; S356-N360 VanDerWaalsContact O-N 3.16Å; S356-T383 PolarHBondContact OG-OG1 2.73Å; S356-D406 WeakPolarHBondContact CB-OD2 3.24Å; S356-D406 PolarHBondContact OG-OD2 3.3Å
357	T	92.3	Very high	86.1	Confident	38 Å²	38	27.2 Å²	27.2	23%	0.233	16%	0.156	C	C	.	.	H	α-helix	trans	-67.3	-44.9	172.5	-46.6	0	0	0	0	110.8	G354 K355 M359 N360 T361	G354-T357 WeakPolarHBondContact O-CA 3.22Å; G354-T357 WeakPolarHBondContact O-CB 3.46Å; G354-T357 PolarHBondContact O-N 2.99Å; K355-T357 VanDerWaalsContact C-N 3.28Å; K355-T357 PolarHBondContact O-N 3.27Å; T357-M359 VanDerWaalsContact C-N 3.34Å; T357-M359 PolarHBondContact O-N 3.47Å; T357-N360 WeakPolarHBondContact O-CB 3.48Å; T357-N360 PolarHBondContact O-N 3.37Å; T357-T361 PolarHBondContact O-N 2.67Å; T357-T361 PolarHBondContact O-OG1 2.87Å
358	L	90.6	Very high	83.9	Confident	8 Å²	8	29.7 Å²	29.7	4%	0.042	17%	0.173	C	C	.	.	H	α-helix	trans	-65.9	-36.5	177.2	-164.6	77	0	0	0	112.1	G354 K355 N360 T361 L362 F458 V543 F577 L580	G354-L358 PolarHBondContact O-N 2.89Å; K355-L358 PolarHBondContact O-N 3.07Å; K355-L358 VanDerWaalsContact O-N 3.14Å; L358-N360 VanDerWaalsContact C-N 3.34Å; L358-N360 PolarHBondContact O-N 3.03Å; L358-T361 CarbonylContact O-C 3.55Å; L358-T361 WeakPolarHBondContact O-CB 3.13Å; L358-T361 PolarHBondContact O-N 2.9Å; L358-L362 WeakPolarHBondContact O-CB 3.19Å; L358-L362 PolarHBondContact O-N 3.44Å; L358-F458 HydrophobicContact CB-CE1 4.41Å; L358-F458 HydrophobicContact CB-CZ 3.67Å; L358-F458 HydrophobicContact CD2-CE2 3.75Å; L358-F458 HydrophobicContact CD2-CZ 3.41Å; L358-F458 VanDerWaalsContact CD2-CZ 3.41Å; L358-F458 HydrophobicContact CG-CZ 4.12Å; L358-V543 HydrophobicContact CD1-CB 4.45Å; L358-V543 HydrophobicContact CD1-CG2 3.91Å; L358-V543 HydrophobicContact CD2-CG2 4.3Å; L358-F577 HydrophobicContact CD1-CD2 3.68Å; L358-F577 HydrophobicContact CD1-CE2 3.8Å; L358-F577 HydrophobicContact CG-CE2 4.37Å; L358-L580 HydrophobicContact CD2-CD2 4.01Å
359	M	88.8	Confident	81.6	Confident	12 Å²	12	38.1 Å²	38.1	6%	0.059	21%	0.205	C	C	.	.	H	α-helix	trans	-55.2	-50	170.6	172.6	175.4	68.9	0	0	110.9	K355 T357 T361 L362 F363 I389 V404 D406	K355-M359 PolarHBondContact O-N 3.17Å; T357-M359 VanDerWaalsContact C-N 3.34Å; T357-M359 PolarHBondContact O-N 3.47Å; M359-T361 VanDerWaalsContact C-N 3.34Å; M359-T361 PolarHBondContact O-N 3.09Å; M359-L362 PolarHBondContact O-N 3.04Å; M359-F363 HydrophobicContact CG-CD2 3.91Å; M359-F363 HydrophobicContact CG-CE2 3.49Å; M359-F363 VanDerWaalsContact CG-CE2 3.49Å; M359-F363 HydrophobicContact CG-CZ 4.48Å; M359-F363 WeakPolarHBondContact O-CD2 3.38Å; M359-F363 PolarHBondContact O-N 3.44Å; M359-F363 VanDerWaalsContact O-N 3.15Å; M359-F363 HydrophobicContact SD-CE2 4.23Å; M359-I389 HydrophobicContact CE-CD1 3.58Å; M359-I389 HydrophobicContact CE-CG1 4.48Å; M359-I389 HydrophobicContact SD-CB 4.5Å; M359-I389 HydrophobicContact SD-CD1 3.9Å; M359-I389 HydrophobicContact SD-CG1 4.26Å; M359-V404 HydrophobicContact CB-CG1 4.02Å; M359-V404 HydrophobicContact CG-CB 3.92Å; M359-V404 HydrophobicContact CG-CG1 3.62Å; M359-V404 HydrophobicContact SD-CB 4.02Å; M359-V404 HydrophobicContact SD-CG1 3.76Å; M359-D406 HydrophobicContact CE-CB 4.09Å; M359-D406 HydrophobicContact SD-CB 4.12Å
360	N	87.1	Confident	79.1	Confident	48 Å²	48	46.4 Å²	46.4	26%	0.257	24%	0.241	S	C	.	.	H	α-helix	trans	-63	-38.2	175.2	-71.2	-7	0	0	0	112.2	S356 T357 L358 K364 I380	S356-N360 PolarHBondContact O-N 2.89Å; S356-N360 VanDerWaalsContact O-N 3.16Å; T357-N360 WeakPolarHBondContact O-CB 3.48Å; T357-N360 PolarHBondContact O-N 3.37Å; L358-N360 VanDerWaalsContact C-N 3.34Å; L358-N360 PolarHBondContact O-N 3.03Å; N360-K364 WeakPolarHBondContact O-CB 3.31Å; N360-K364 WeakPolarHBondContact O-CG 3.34Å; N360-K364 PolarHBondContact O-N 2.82Å; N360-I380 WeakPolarHBondContact ND2-CD1 3.25Å
361	T	88.6	Confident	76.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60	-45.4	173.7	-49.7	0	0	0	0	111.5	T357 L358 M359 K364 S365 S546 L558 V569 F577	T357-T361 PolarHBondContact O-N 2.67Å; T357-T361 PolarHBondContact O-OG1 2.87Å; L358-T361 CarbonylContact O-C 3.55Å; L358-T361 WeakPolarHBondContact O-CB 3.13Å; L358-T361 PolarHBondContact O-N 2.9Å; M359-T361 VanDerWaalsContact C-N 3.34Å; M359-T361 PolarHBondContact O-N 3.09Å; T361-K364 PolarHBondContact O-N 3.36Å; T361-S365 WeakPolarHBondContact O-CB 3.48Å; T361-S365 PolarHBondContact O-N 3.38Å; T361-S546 PolarHBondContact OG1-N 2.92Å; T361-S546 PolarHBondContact OG1-O 3.47Å; T361-L558 HydrophobicContact CG2-CD1 4.08Å; T361-V569 HydrophobicContact CG2-CG1 3.61Å; T361-F577 HydrophobicContact CG2-CD1 4.32Å; T361-F577 HydrophobicContact CG2-CD2 4.46Å; T361-F577 HydrophobicContact CG2-CE1 3.74Å; T361-F577 HydrophobicContact CG2-CE2 3.89Å; T361-F577 HydrophobicContact CG2-CZ 3.5Å; T361-F577 VanDerWaalsContact CG2-CZ 3.5Å
362	L	85.3	Confident	74.3	Confident	8 Å²	8	53.3 Å²	53.3	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-63.8	-43.1	-178.5	-174.2	62.8	0	0	0	111.8	I345 L358 M359 V367 L402 V404 R581	I345-L362 HydrophobicContact CD1-CD2 4.4Å; L358-L362 WeakPolarHBondContact O-CB 3.19Å; L358-L362 PolarHBondContact O-N 3.44Å; M359-L362 PolarHBondContact O-N 3.04Å; L362-V367 WeakPolarHBondContact O-CG2 3.49Å; L362-L402 HydrophobicContact CD2-CD2 4.22Å; L362-L402 HydrophobicContact CG-CD2 4.42Å; L362-V404 HydrophobicContact CD2-CG2 4.26Å; L362-R581 HydrophobicContact CD1-CB 4.39Å; L362-R581 HydrophobicContact CD1-CG 4.02Å
363	F	80.8	Confident	72	Confident	13 Å²	13	57.6 Å²	57.6	6%	0.057	30%	0.296	C	S	.	.	H	α-helix	trans	-70.3	-35.6	176.6	-66.6	-52.7	0	0	0	113.6	M359 V367 S368 I389 H391 L402 V404	M359-F363 HydrophobicContact CG-CD2 3.91Å; M359-F363 HydrophobicContact CG-CE2 3.49Å; M359-F363 VanDerWaalsContact CG-CE2 3.49Å; M359-F363 HydrophobicContact CG-CZ 4.48Å; M359-F363 WeakPolarHBondContact O-CD2 3.38Å; M359-F363 PolarHBondContact O-N 3.44Å; M359-F363 VanDerWaalsContact O-N 3.15Å; M359-F363 HydrophobicContact SD-CE2 4.23Å; F363-V367 WeakPolarHBondContact O-CB 2.92Å; F363-S368 PolarHBondContact O-N 2.92Å; F363-S368 VanDerWaalsContact O-N 3.17Å; F363-I389 HydrophobicContact CE2-CB 4.31Å; F363-I389 HydrophobicContact CE2-CG2 4.19Å; F363-I389 HydrophobicContact CZ-CG2 4.48Å; F363-H391 HydrophobicContact CD1-CB 3.89Å; F363-H391 AromaticContact CD1-CD2 3.53Å; F363-H391 AromaticContact CD1-CG 3.78Å; F363-H391 AromaticContact CD2-CD2 3.8Å; F363-H391 AromaticContact CD2-NE2 3.98Å; F363-H391 HydrophobicContact CE1-CB 3.81Å; F363-H391 AromaticContact CE1-CD2 3.4Å; F363-H391 VanDerWaalsContact CE1-CD2 3.4Å; F363-H391 WeakPolarHBondContact CE1-CD2 2.91Å; F363-H391 AromaticContact CE1-CG 3.86Å; F363-H391 AromaticContact CE2-CD2 3.67Å; F363-H391 AromaticContact CG-CD2 3.74Å; F363-H391 AromaticContact CZ-CD2 3.47Å; F363-H391 VanDerWaalsContact CZ-CD2 3.47Å; F363-H391 WeakPolarHBondContact CZ-CD2 3.35Å; F363-L402 HydrophobicContact CD1-CD2 4.11Å; F363-L402 HydrophobicContact CE1-CB 4.44Å; F363-L402 HydrophobicContact CE1-CD2 3.76Å; F363-L402 HydrophobicContact CE1-CG 3.89Å; F363-V404 HydrophobicContact CE1-CG2 3.86Å; F363-V404 HydrophobicContact CE2-CB 4Å; F363-V404 HydrophobicContact CE2-CG2 3.98Å; F363-V404 HydrophobicContact CZ-CB 3.64Å; F363-V404 HydrophobicContact CZ-CG2 3.37Å
364	K	78.4	Confident	69.5	Low	91 Å²	91	60.7 Å²	60.7	40%	0.396	33%	0.332	S	S	.	.	H	α-helix	trans	-78.2	-26.7	177.1	-69.4	-172.7	-178.1	-164.3	0	113.6	N360 T361 K366 D547 L558	N360-K364 WeakPolarHBondContact O-CB 3.31Å; N360-K364 WeakPolarHBondContact O-CG 3.34Å; N360-K364 PolarHBondContact O-N 2.82Å; T361-K364 PolarHBondContact O-N 3.36Å; K364-K366 VanDerWaalsContact C-N 3.31Å; K364-K366 PolarHBondContact O-N 3.42Å; K364-D547 PolarHBondContact NZ-O 2.9Å; K364-L558 HydrophobicContact CB-CD1 3.82Å; K364-L558 HydrophobicContact CB-CD2 3.9Å; K364-L558 HydrophobicContact CB-CG 4.38Å; K364-L558 HydrophobicContact CD-CD2 4.04Å
365	S	68.1	Low	66.9	Low	2 Å²	2	65.7 Å²	65.7	1%	0.014	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	76.3	-175.1	165.7	0	0	0	0	112.4	T361 V367 R581	T361-S365 WeakPolarHBondContact O-CB 3.48Å; T361-S365 PolarHBondContact O-N 3.38Å; S365-V367 PolarHBondContact O-N 2.98Å; S365-R581 WeakPolarHBondContact OG-CD 3.33Å; S365-R581 PolarHBondContact OG-NH1 2.81Å
366	K	59	Low	64.7	Low	141 Å²	141	68.4 Å²	68.4	61%	0.613	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	-7.3	177.7	-65.2	163.6	-177.6	160	0	115.9	K364 E570	K364-K366 VanDerWaalsContact C-N 3.31Å; K364-K366 PolarHBondContact O-N 3.42Å; K366-E570 WeakPolarHBondContact CD-OE1 3.5Å; K366-E570 WeakPolarHBondContact CE-OE1 3.36Å; K366-E570 VanDerWaalsContact CE-OE2 3.31Å; K366-E570 WeakPolarHBondContact CE-OE2 3.24Å; K366-E570 IonicContact NZ-OE1 2.87Å; K366-E570 PolarHBondContact NZ-OE1 3.42Å; K366-E570 IonicContact NZ-OE2 3.73Å; K366-E570 PolarHBondContact NZ-OE2 2.84Å
367	V	54.8	Low	62.8	Low	15 Å²	15	76.5 Å²	76.5	9%	0.091	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-47.9	176.4	162.2	0	0	0	0	111.4	L362 F363 S365 I393 I585	L362-V367 WeakPolarHBondContact O-CG2 3.49Å; F363-V367 WeakPolarHBondContact O-CB 2.92Å; S365-V367 PolarHBondContact O-N 2.98Å; V367-I393 HydrophobicContact CG1-CB 4.45Å; V367-I393 HydrophobicContact CG1-CD1 3.37Å; V367-I393 HydrophobicContact CG1-CG1 3.54Å; V367-I393 HydrophobicContact CG1-CG2 4.11Å; V367-I585 HydrophobicContact CG2-CD1 3.5Å; V367-I585 VanDerWaalsContact CG2-CD1 3.5Å
368	S	48.8	Very low	61.3	Low	55 Å²	55	82.8 Å²	82.8	39%	0.385	45%	0.453	S	S	.	.			trans	-87.9	113.1	169.7	-169.9	0	0	0	0	112	F363 K370	F363-S368 PolarHBondContact O-N 2.92Å; F363-S368 VanDerWaalsContact O-N 3.17Å; S368-K370 PolarHBondContact O-N 2.97Å; S368-K370 PolarHBondContact OG-N 2.82Å; S368-K370 PolarHBondContact OG-O 3.48Å
369	R	48	Very low	60.3	Low	177 Å²	177	91.8 Å²	91.8	67%	0.668	49%	0.492	S	S	*	.	S	Bend	trans	-74.5	-5.7	164.6	-73.2	-170.1	-78.9	145.5	-1.9	113.3	E394	R369-E394 PolarHBondContact NE-O 2.84Å; R369-E394 PolarHBondContact NH2-O 3.11Å; R369-E394 IonicContact NH2-OE1 2.89Å; R369-E394 PolarHBondContact NH2-OE1 3.27Å
370	K	44.6	Very low	59.8	Low	175 Å²	175	94.1 Å²	94.1	76%	0.761	50%	0.504	S	S	*	.	S	Bend	trans	-105.3	106.2	172.4	-69.4	-179.6	179.2	177.5	0	109	S368 V372	S368-K370 PolarHBondContact O-N 2.97Å; S368-K370 PolarHBondContact OG-N 2.82Å; S368-K370 PolarHBondContact OG-O 3.48Å; K370-V372 PolarHBondContact O-N 3.42Å; K370-V372 VanDerWaalsContact O-N 3.13Å
371	S	39.9	Very low	59.4	Low	78 Å²	78	96.9 Å²	96.9	55%	0.545	52%	0.524	S	S	.	.			trans	-64.9	112	168.7	57.1	0	0	0	0	108.9	L373	S371-L373 PolarHBondContact O-N 2.98Å
372	V	42.7	Very low	59	Low	134 Å²	134	104.8 Å²	104.8	81%	0.812	56%	0.559	S	S	*	*			trans	-62.9	121.5	163.6	179.1	0	0	0	0	106.4	K370 G374	K370-V372 PolarHBondContact O-N 3.42Å; K370-V372 VanDerWaalsContact O-N 3.13Å; V372-G374 PolarHBondContact O-N 2.97Å; V372-G374 VanDerWaalsContact O-N 3.17Å
373	L	42.7	Very low	58.9	Low	148 Å²	148	106 Å²	106	78%	0.775	57%	0.566	S	S	*	*			trans	-59.4	119.5	179.2	-76.2	161.1	0	0	0	108.8	S371 T375	S371-L373 PolarHBondContact O-N 2.98Å; L373-T375 PolarHBondContact O-N 3.39Å
374	G	43.3	Very low	59.1	Low	81 Å²	81	111.4 Å²	111.4	84%	0.835	60%	0.595	S	S	*	*			trans	-73.6	82	-170	0	0	0	0	0	113.4	V372 G376	V372-G374 PolarHBondContact O-N 2.97Å; V372-G374 VanDerWaalsContact O-N 3.17Å; G374-G376 PolarHBondContact O-N 3.16Å
375	T	37.4	Very low	59.5	Low	126 Å²	126	112.2 Å²	112.2	77%	0.773	60%	0.6	S	S	*	*			trans	-77.3	96.9	170.7	47.9	0	0	0	0	111.3	L373	L373-T375 PolarHBondContact O-N 3.39Å
376	G	46.7	Very low	60.7	Low	70 Å²	70	114.3 Å²	114.3	72%	0.722	61%	0.611	S	S	*	*	S	Bend	trans	82.8	165.8	161.3	0	0	0	0	0	117.1	G374 E378	G374-G376 PolarHBondContact O-N 3.16Å; G376-E378 PolarHBondContact O-N 2.88Å
377	Q	51.7	Low	62.1	Low	186 Å²	186	112.7 Å²	112.7	87%	0.869	60%	0.603	S	S	*	*			trans	-89.4	70.4	173.6	-70.1	-174.6	-24.9	0	0	110.6	K379	Q377-K379 PolarHBondContact O-N 2.85Å
378	E	59.5	Low	63.8	Low	170 Å²	170	115.8 Å²	115.8	79%	0.794	63%	0.626	S	S	*	*			trans	-69.3	105.4	169.3	-67.9	-158.7	150.1	0	0	110	G376 I380	G376-E378 PolarHBondContact O-N 2.88Å; E378-I380 PolarHBondContact O-N 3.01Å; E378-I380 VanDerWaalsContact O-N 3.09Å
379	K	70.4	Confident	65.7	Low	198 Å²	198	116.3 Å²	116.3	86%	0.861	62%	0.624	S	S	*	*			trans	-62	112.8	171.2	-70.2	178.7	-179.5	173.6	0	108.4	Q377 P381	Q377-K379 PolarHBondContact O-N 2.85Å; K379-P381 WeakPolarHBondContact O-CD 3.4Å; K379-P381 VanDerWaalsContact O-N 3.11Å
380	I	77.2	Confident	67.7	Low	60 Å²	60	110.8 Å²	110.8	31%	0.308	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-52.1	119.2	177.7	-51.2	173.2	0	0	0	108.9	N360 E378	N360-I380 WeakPolarHBondContact ND2-CD1 3.25Å; E378-I380 PolarHBondContact O-N 3.01Å; E378-I380 VanDerWaalsContact O-N 3.09Å
381	P	80.5	Confident	69.6	Low	106 Å²	106	106.2 Å²	106.2	69%	0.688	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-70.1	163.3	-177.1	28.5	-35.1	0	0	0	111.5	K379 T383	K379-P381 WeakPolarHBondContact O-CD 3.4Å; K379-P381 VanDerWaalsContact O-N 3.11Å; P381-T383 PolarHBondContact O-N 2.91Å
382	K	80.2	Confident	71.7	Confident	166 Å²	166	107.2 Å²	107.2	72%	0.722	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-64	121.8	171.8	-72.9	-168.5	175.8	-167.9	0	110	I384	K382-I384 PolarHBondContact O-N 2.76Å
383	T	82.6	Confident	73.6	Confident	33 Å²	33	101.7 Å²	101.7	20%	0.202	56%	0.558	C	S	.	*			trans	-66.5	112.9	172.3	-55.2	0	0	0	0	110.1	S356 P381 E385 D406 P408	S356-T383 PolarHBondContact OG-OG1 2.73Å; P381-T383 PolarHBondContact O-N 2.91Å; T383-E385 WeakPolarHBondContact CG2-O 3.32Å; T383-D406 WeakPolarHBondContact CB-OD2 3.36Å; T383-D406 HydrophobicContact CG2-CB 4.47Å; T383-D406 PolarHBondContact OG1-OD2 2.76Å; T383-P408 WeakPolarHBondContact O-CA 3.42Å
384	I	84.1	Confident	75.4	Confident	128 Å²	128	98.9 Å²	98.9	66%	0.656	54%	0.541	S	S	*	.			trans	-99.9	-17.9	179.4	53	163.9	0	0	0	113.6	K382	K382-I384 PolarHBondContact O-N 2.76Å
385	E	87.8	Confident	76.9	Confident	108 Å²	108	99.6 Å²	99.6	51%	0.505	52%	0.523	S	S	.	.	S	Bend	trans	-137.6	159.7	-174.1	-65.1	159.3	148.7	0	0	109.1	T383 K387	T383-E385 WeakPolarHBondContact CG2-O 3.32Å; E385-K387 PolarHBondContact O-N 2.9Å; E385-K387 WeakPolarHBondContact OE2-CE 3.43Å; E385-K387 IonicContact OE2-NZ 2.92Å; E385-K387 PolarHBondContact OE2-NZ 3.27Å
386	I	91.9	Very high	78.7	Confident	46 Å²	46	101.8 Å²	101.8	24%	0.236	52%	0.522	C	S	.	.			trans	-71.9	124.3	174.3	-58.4	175	0	0	0	108.7	I405 D406 I423 F426	I386-I405 HydrophobicContact CG2-CG2 3.34Å; I386-D406 WeakPolarHBondContact CA-O 3.29Å; I386-I423 HydrophobicContact CD1-CD1 3.97Å; I386-I423 HydrophobicContact CG1-CD1 4.29Å; I386-F426 HydrophobicContact CB-CD2 4.43Å; I386-F426 HydrophobicContact CB-CE2 4.47Å; I386-F426 HydrophobicContact CD1-CB 3.72Å; I386-F426 HydrophobicContact CD1-CD2 3.87Å; I386-F426 HydrophobicContact CD1-CG 3.86Å; I386-F426 HydrophobicContact CG2-CD1 4.4Å; I386-F426 HydrophobicContact CG2-CD2 3.94Å; I386-F426 HydrophobicContact CG2-CE1 4.21Å; I386-F426 HydrophobicContact CG2-CE2 3.74Å; I386-F426 HydrophobicContact CG2-CG 4.26Å; I386-F426 HydrophobicContact CG2-CZ 3.88Å
387	K	90.3	Very high	80.1	Confident	106 Å²	106	100.5 Å²	100.5	46%	0.461	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.3	-176.4	-63.8	-171.4	-175.3	-165.1	0	111.4	E385 I405 D406	E385-K387 PolarHBondContact O-N 2.9Å; E385-K387 WeakPolarHBondContact OE2-CE 3.43Å; E385-K387 IonicContact OE2-NZ 2.92Å; E385-K387 PolarHBondContact OE2-NZ 3.27Å; K387-I405 WeakPolarHBondContact O-CA 3.37Å; K387-D406 PolarHBondContact N-O 2.87Å; K387-D406 PolarHBondContact O-N 3.32Å
388	S	90.5	Very high	81.5	Confident	81 Å²	81	94 Å²	94	57%	0.566	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.4	176.4	49.7	0	0	0	0	111.2
389	I	88.7	Confident	82.7	Confident	66 Å²	66	92.2 Å²	92.2	34%	0.338	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.4	173	-52.3	-172.9	0	0	0	108	M359 F363 H391 T403 V404	M359-I389 HydrophobicContact CE-CD1 3.58Å; M359-I389 HydrophobicContact CE-CG1 4.48Å; M359-I389 HydrophobicContact SD-CB 4.5Å; M359-I389 HydrophobicContact SD-CD1 3.9Å; M359-I389 HydrophobicContact SD-CG1 4.26Å; F363-I389 HydrophobicContact CE2-CB 4.31Å; F363-I389 HydrophobicContact CE2-CG2 4.19Å; F363-I389 HydrophobicContact CZ-CG2 4.48Å; I389-H391 WeakPolarHBondContact CG2-NE2 3.29Å; I389-T403 CarbonylContact O-C 3.52Å; I389-T403 WeakPolarHBondContact O-CA 3.48Å; I389-V404 PolarHBondContact N-O 3.45Å; I389-V404 PolarHBondContact O-N 3.32Å
390	S	88.9	Confident	83.5	Confident	60 Å²	60	83.7 Å²	83.7	42%	0.42	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.3	177.8	-63.4	0	0	0	0	111.6	K401 L402 T403	S390-K401 WeakPolarHBondContact OG-CE 3.47Å; S390-L402 WeakPolarHBondContact CA-O 3.41Å; S390-T403 PolarHBondContact OG-OG1 3.25Å; S390-T403 VanDerWaalsContact OG-OG1 3.12Å
391	H	84.2	Confident	84.1	Confident	79 Å²	79	84.8 Å²	84.8	37%	0.366	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.6	170.9	-74.8	-94.9	0	0	0	110.9	F363 I389 L402	F363-H391 HydrophobicContact CD1-CB 3.89Å; F363-H391 AromaticContact CD1-CD2 3.53Å; F363-H391 AromaticContact CD1-CG 3.78Å; F363-H391 AromaticContact CD2-CD2 3.8Å; F363-H391 AromaticContact CD2-NE2 3.98Å; F363-H391 HydrophobicContact CE1-CB 3.81Å; F363-H391 AromaticContact CE1-CD2 3.4Å; F363-H391 VanDerWaalsContact CE1-CD2 3.4Å; F363-H391 WeakPolarHBondContact CE1-CD2 2.91Å; F363-H391 AromaticContact CE1-CG 3.86Å; F363-H391 AromaticContact CE2-CD2 3.67Å; F363-H391 AromaticContact CG-CD2 3.74Å; F363-H391 AromaticContact CZ-CD2 3.47Å; F363-H391 VanDerWaalsContact CZ-CD2 3.47Å; F363-H391 WeakPolarHBondContact CZ-CD2 3.35Å; I389-H391 WeakPolarHBondContact CG2-NE2 3.29Å; H391-L402 PolarHBondContact N-O 2.98Å; H391-L402 PolarHBondContact O-N 2.69Å
392	D	84.9	Confident	84.6	Confident	100 Å²	100	79.7 Å²	79.7	54%	0.535	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.8	169.2	-96.6	39.2	0	0	0	109.7	R399	D392-R399 IonicContact OD2-CZ 3.46Å; D392-R399 IonicContact OD2-NE 2.68Å; D392-R399 IonicContact OD2-NH2 3.57Å; D392-R399 PolarHBondContact OD2-NH2 2.68Å
393	I	82.4	Confident	85.2	Confident	17 Å²	17	72.3 Å²	72.3	9%	0.087	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	143.6	-175.2	-53.3	169.3	0	0	0	107.7	V367 R399 M400 L402	V367-I393 HydrophobicContact CG1-CB 4.45Å; V367-I393 HydrophobicContact CG1-CD1 3.37Å; V367-I393 HydrophobicContact CG1-CG1 3.54Å; V367-I393 HydrophobicContact CG1-CG2 4.11Å; I393-R399 CarbonylContact O-C 3.58Å; I393-R399 WeakPolarHBondContact O-CA 3.42Å; I393-M400 WeakPolarHBondContact CA-O 3.36Å; I393-M400 HydrophobicContact CB-CB 4.4Å; I393-M400 HydrophobicContact CB-CE 4.5Å; I393-M400 VanDerWaalsContact CB-O 3.32Å; I393-M400 WeakPolarHBondContact CB-O 3.15Å; I393-M400 HydrophobicContact CD1-CE 3.51Å; I393-M400 PolarHBondContact N-O 3.39Å; I393-M400 PolarHBondContact O-N 3.29Å; I393-L402 HydrophobicContact CD1-CB 3.39Å; I393-L402 HydrophobicContact CD1-CD2 3.85Å; I393-L402 HydrophobicContact CD1-CG 4.27Å; I393-L402 HydrophobicContact CG1-CB 4.4Å
394	E	79.7	Confident	85.7	Confident	90 Å²	90	70.8 Å²	70.8	42%	0.421	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	118.4	173.5	-168.2	-160.1	99.4	0	0	111.2	R369 V398 R399	R369-E394 PolarHBondContact NE-O 2.84Å; R369-E394 PolarHBondContact NH2-O 3.11Å; R369-E394 IonicContact NH2-OE1 2.89Å; R369-E394 PolarHBondContact NH2-OE1 3.27Å; E394-V398 WeakPolarHBondContact CA-O 3.27Å; E394-R399 HydrophobicContact CB-CG 4.3Å; E394-R399 HydrophobicContact CG-CG 4Å
395	E	75.4	Confident	86.2	Confident	95 Å²	95	64.9 Å²	64.9	44%	0.444	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.1	169.4	-172.9	179	146.2	0	0	109.1	G397 V398	E395-G397 PolarHBondContact O-N 2.96Å; E395-V398 PolarHBondContact N-O 3.02Å; E395-V398 VanDerWaalsContact N-O 3.12Å; E395-V398 WeakPolarHBondContact O-CB 3.3Å; E395-V398 PolarHBondContact O-N 3.11Å
396	K	75.6	Confident	86.4	Confident	173 Å²	173	60 Å²	60	75%	0.752	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	33.1	174.1	-62.6	156.9	-176.8	152.5	0	114.6	V398	K396-V398 VanDerWaalsContact C-N 3.31Å; K396-V398 PolarHBondContact O-N 2.96Å
397	G	76.3	Confident	86.5	Confident	42 Å²	42	57.9 Å²	57.9	43%	0.433	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	3.2	-178.2	0	0	0	0	0	115.3	E395	E395-G397 PolarHBondContact O-N 2.96Å
398	V	81.1	Confident	86.6	Confident	50 Å²	50	54.5 Å²	54.5	30%	0.303	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.1	168.3	-178.7	0	0	0	0	108.7	M337 F341 E394 E395 K396	M337-V398 HydrophobicContact CE-CG2 3.68Å; M337-V398 HydrophobicContact CG-CG2 4.18Å; F341-V398 HydrophobicContact CD2-CG1 3.71Å; F341-V398 HydrophobicContact CE2-CG1 3.63Å; E394-V398 WeakPolarHBondContact CA-O 3.27Å; E395-V398 PolarHBondContact N-O 3.02Å; E395-V398 VanDerWaalsContact N-O 3.12Å; E395-V398 WeakPolarHBondContact O-CB 3.3Å; E395-V398 PolarHBondContact O-N 3.11Å; K396-V398 VanDerWaalsContact C-N 3.31Å; K396-V398 PolarHBondContact O-N 2.96Å
399	R	84.6	Confident	86.5	Confident	133 Å²	133	51.9 Å²	51.9	50%	0.502	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	138.3	172.5	-74.8	179.1	63.5	-162.8	1	111.5	G340 F341 D392 I393 E394	G340-R399 CarbonylContact C-O 3.57Å; G340-R399 WeakPolarHBondContact CA-O 3.38Å; F341-R399 PolarHBondContact N-O 2.74Å; D392-R399 IonicContact OD2-CZ 3.46Å; D392-R399 IonicContact OD2-NE 2.68Å; D392-R399 IonicContact OD2-NH2 3.57Å; D392-R399 PolarHBondContact OD2-NH2 2.68Å; I393-R399 CarbonylContact O-C 3.58Å; I393-R399 WeakPolarHBondContact O-CA 3.42Å; E394-R399 HydrophobicContact CB-CG 4.3Å; E394-R399 HydrophobicContact CG-CG 4Å
400	M	86.3	Confident	86.5	Confident	18 Å²	18	49.4 Å²	49.4	9%	0.089	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125.1	173.1	173.3	172.5	72	0	0	109.8	F341 L343 I393 I585 M589	F341-M400 HydrophobicContact CB-CB 4.29Å; F341-M400 HydrophobicContact CB-CG 4.24Å; F341-M400 CarbonylContact O-C 3.52Å; F341-M400 WeakPolarHBondContact O-CA 3.35Å; L343-M400 HydrophobicContact CB-SD 4.38Å; L343-M400 HydrophobicContact CD2-SD 4.46Å; I393-M400 WeakPolarHBondContact CA-O 3.36Å; I393-M400 HydrophobicContact CB-CB 4.4Å; I393-M400 HydrophobicContact CB-CE 4.5Å; I393-M400 VanDerWaalsContact CB-O 3.32Å; I393-M400 WeakPolarHBondContact CB-O 3.15Å; I393-M400 HydrophobicContact CD1-CE 3.51Å; I393-M400 PolarHBondContact N-O 3.39Å; I393-M400 PolarHBondContact O-N 3.29Å; M400-I585 HydrophobicContact CE-CB 4.14Å; M400-I585 HydrophobicContact CE-CG2 4.15Å; M400-M589 HydrophobicContact SD-SD 3.37Å
401	K	90.1	Very high	86.3	Confident	83 Å²	83	47.4 Å²	47.4	36%	0.361	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	110.3	165.7	-178.6	-172.1	173.2	-165.4	0	108.3	F341 E342 L343 S390	F341-K401 PolarHBondContact O-N 2.96Å; E342-K401 HydrophobicContact CG-CB 4.41Å; L343-K401 PolarHBondContact N-O 3.26Å; S390-K401 WeakPolarHBondContact OG-CE 3.47Å
402	L	90.4	Very high	86.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116.7	171.5	173.5	61	0	0	0	109.3	L343 I345 L362 F363 S390 H391 I393 V404	L343-L402 HydrophobicContact CB-CD1 4.33Å; L343-L402 HydrophobicContact CD2-CD1 4.12Å; L343-L402 HydrophobicContact CG-CD1 4.21Å; L343-L402 CarbonylContact O-C 3.58Å; L343-L402 WeakPolarHBondContact O-CA 3.26Å; I345-L402 HydrophobicContact CD1-CD1 3.78Å; I345-L402 HydrophobicContact CG1-CD1 3.96Å; L362-L402 HydrophobicContact CD2-CD2 4.22Å; L362-L402 HydrophobicContact CG-CD2 4.42Å; F363-L402 HydrophobicContact CD1-CD2 4.11Å; F363-L402 HydrophobicContact CE1-CB 4.44Å; F363-L402 HydrophobicContact CE1-CD2 3.76Å; F363-L402 HydrophobicContact CE1-CG 3.89Å; S390-L402 WeakPolarHBondContact CA-O 3.41Å; H391-L402 PolarHBondContact N-O 2.98Å; H391-L402 PolarHBondContact O-N 2.69Å; I393-L402 HydrophobicContact CD1-CB 3.39Å; I393-L402 HydrophobicContact CD1-CD2 3.85Å; I393-L402 HydrophobicContact CD1-CG 4.27Å; I393-L402 HydrophobicContact CG1-CB 4.4Å; L402-V404 HydrophobicContact CD1-CG2 4.21Å; L402-V404 HydrophobicContact CD2-CG2 4.28Å; L402-V404 HydrophobicContact CG-CG2 4.07Å
403	T	93.1	Very high	86.3	Confident	11 Å²	11	50.1 Å²	50.1	7%	0.067	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.3	166.3	-46.1	0	0	0	0	108.9	L343 N344 I345 I389 S390 I405	L343-T403 PolarHBondContact O-N 3.39Å; N344-T403 CarbonylContact C-O 3.55Å; N344-T403 WeakPolarHBondContact CA-O 3.41Å; N344-T403 WeakPolarHBondContact OD1-CB 3.47Å; N344-T403 PolarHBondContact OD1-OG1 3.16Å; I345-T403 PolarHBondContact N-O 3.44Å; I389-T403 CarbonylContact O-C 3.52Å; I389-T403 WeakPolarHBondContact O-CA 3.48Å; S390-T403 PolarHBondContact OG-OG1 3.25Å; S390-T403 VanDerWaalsContact OG-OG1 3.12Å; T403-I405 HydrophobicContact CG2-CD1 3.89Å; T403-I405 HydrophobicContact CG2-CG1 4.33Å
404	V	92.9	Very high	86.5	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.1	166.5	-176.2	0	0	0	0	108.8	I345 V347 M359 L362 F363 I389 L402	I345-V404 CarbonylContact O-C 3.58Å; I345-V404 VanDerWaalsContact O-CA 3.28Å; I345-V404 WeakPolarHBondContact O-CA 3.19Å; V347-V404 HydrophobicContact CG2-CG1 3.66Å; M359-V404 HydrophobicContact CB-CG1 4.02Å; M359-V404 HydrophobicContact CG-CB 3.92Å; M359-V404 HydrophobicContact CG-CG1 3.62Å; M359-V404 HydrophobicContact SD-CB 4.02Å; M359-V404 HydrophobicContact SD-CG1 3.76Å; L362-V404 HydrophobicContact CD2-CG2 4.26Å; F363-V404 HydrophobicContact CE1-CG2 3.86Å; F363-V404 HydrophobicContact CE2-CB 4Å; F363-V404 HydrophobicContact CE2-CG2 3.98Å; F363-V404 HydrophobicContact CZ-CB 3.64Å; F363-V404 HydrophobicContact CZ-CG2 3.37Å; I389-V404 PolarHBondContact N-O 3.45Å; I389-V404 PolarHBondContact O-N 3.32Å; L402-V404 HydrophobicContact CD1-CG2 4.21Å; L402-V404 HydrophobicContact CD2-CG2 4.28Å; L402-V404 HydrophobicContact CG-CG2 4.07Å
405	I	94.7	Very high	86.8	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	105.1	-179.3	-57.7	83.1	0	0	0	107.6	N344 I345 M346 V347 I386 K387 T403 F426 I452	N344-I405 HydrophobicContact CB-CD1 4.11Å; I345-I405 WeakPolarHBondContact O-CD1 3.37Å; I345-I405 PolarHBondContact O-N 2.92Å; M346-I405 WeakPolarHBondContact CA-O 3.29Å; M346-I405 HydrophobicContact CB-CB 4.29Å; M346-I405 HydrophobicContact CE-CG2 4.33Å; M346-I405 HydrophobicContact CG-CB 4.22Å; M346-I405 HydrophobicContact CG-CG2 4.29Å; V347-I405 PolarHBondContact N-O 3.27Å; I386-I405 HydrophobicContact CG2-CG2 3.34Å; K387-I405 WeakPolarHBondContact O-CA 3.37Å; T403-I405 HydrophobicContact CG2-CD1 3.89Å; T403-I405 HydrophobicContact CG2-CG1 4.33Å; I405-F426 HydrophobicContact CG1-CE1 4.49Å; I405-F426 HydrophobicContact CG2-CE1 4.07Å; I405-F426 HydrophobicContact CG2-CZ 4.25Å; I405-I452 HydrophobicContact CD1-CD1 3.85Å; I405-I452 HydrophobicContact CG1-CD1 4.26Å
406	D	93.4	Very high	87.4	Confident	6 Å²	6	55.2 Å²	55.2	3%	0.032	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	146.2	170.8	-169.2	25	0	0	0	110	S356 M359 T383 I386 K387	S356-D406 WeakPolarHBondContact CB-OD2 3.24Å; S356-D406 PolarHBondContact OG-OD2 3.3Å; M359-D406 HydrophobicContact CE-CB 4.09Å; M359-D406 HydrophobicContact SD-CB 4.12Å; T383-D406 WeakPolarHBondContact CB-OD2 3.36Å; T383-D406 HydrophobicContact CG2-CB 4.47Å; T383-D406 PolarHBondContact OG1-OD2 2.76Å; I386-D406 WeakPolarHBondContact CA-O 3.29Å; K387-D406 PolarHBondContact N-O 2.87Å; K387-D406 PolarHBondContact O-N 3.32Å
407	T	93.8	Very high	88.1	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.285	C	S	.	.			trans	-126.9	152	-174	78.8	0	0	0	0	111.7	M346 V347 V348 K355 I423	M346-T407 HydrophobicContact CG-CG2 3.62Å; M346-T407 HydrophobicContact SD-CG2 3.97Å; V347-T407 WeakPolarHBondContact O-CG2 3.2Å; V347-T407 PolarHBondContact O-OG1 3.46Å; V348-T407 HydrophobicContact CG2-CG2 4.07Å; K355-T407 WeakPolarHBondContact CE-O 3.48Å; K355-T407 PolarHBondContact NZ-O 2.81Å; T407-I423 HydrophobicContact CG2-CD1 3.95Å
408	P	91.7	Very high	88.7	Confident	35 Å²	35	54.9 Å²	54.9	23%	0.227	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-57.9	154.1	172.4	24.1	-33	0	0	0	111.8	K355 T383	K355-P408 PolarHBondContact NZ-O 3.23Å; T383-P408 WeakPolarHBondContact O-CA 3.42Å
409	G	87.9	Confident	89.1	Confident	26 Å²	26	53.7 Å²	53.7	27%	0.268	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-75.5	127	174.7	0	0	0	0	0	111.5
410	F	89.8	Confident	89.5	Confident	15 Å²	15	47.9 Å²	47.9	7%	0.066	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-89.3	167.3	162.2	64.6	-97.4	0	0	0	110.3	V348 Q350 C419 Y457 L469 F473	V348-F410 HydrophobicContact CG1-CE1 3.86Å; Q350-F410 VanDerWaalsContact CA-O 3.31Å; Q350-F410 WeakPolarHBondContact CA-O 3.29Å; Q350-F410 WeakPolarHBondContact CG-O 3.27Å; F410-C419 HydrophobicContact CB-CB 3.84Å; F410-Y457 HydrophobicContact CE1-CE2 4.42Å; F410-Y457 HydrophobicContact CZ-CE2 4.24Å; F410-Y457 AromaticContact CZ-CZ 3.9Å; F410-Y457 VanDerWaalsContact CZ-OH 3.24Å; F410-Y457 WeakPolarHBondContact CZ-OH 3.19Å; F410-L469 HydrophobicContact CD2-CD2 3.99Å; F410-L469 HydrophobicContact CD2-CG 4.45Å; F410-L469 HydrophobicContact CE2-CD2 4.31Å; F410-F473 HydrophobicContact CB-CE2 4.48Å; F410-F473 AromaticContact CD1-CD2 3.93Å; F410-F473 HydrophobicContact CD1-CD2 3.93Å; F410-F473 AromaticContact CD1-CE2 3.37Å; F410-F473 HydrophobicContact CD1-CE2 3.37Å; F410-F473 HydrophobicContact CD1-CZ 4.09Å; F410-F473 HydrophobicContact CD2-CD2 4.28Å; F410-F473 HydrophobicContact CD2-CE2 4.41Å; F410-F473 AromaticContact CE1-CD2 3.79Å; F410-F473 HydrophobicContact CE1-CD2 3.79Å; F410-F473 AromaticContact CE1-CE2 3.54Å; F410-F473 HydrophobicContact CE1-CE2 3.54Å; F410-F473 HydrophobicContact CE1-CZ 4.11Å; F410-F473 HydrophobicContact CE2-CD2 4.19Å; F410-F473 HydrophobicContact CG-CD2 4.18Å; F410-F473 AromaticContact CG-CE2 3.85Å; F410-F473 HydrophobicContact CG-CE2 3.85Å; F410-F473 AromaticContact CZ-CD2 3.96Å; F410-F473 HydrophobicContact CZ-CD2 3.96Å; F410-F473 HydrophobicContact CZ-CE2 4.19Å
411	G	83.1	Confident	89.9	Confident	18 Å²	18	52 Å²	52	19%	0.186	27%	0.273	C	S	.	.	S	Bend	trans	83.8	9	178.6	0	0	0	0	0	114.9	Q350 N416	Q350-G411 PolarHBondContact NE2-O 3.01Å; G411-N416 WeakPolarHBondContact CA-OD1 3.16Å; G411-N416 PolarHBondContact N-OD1 3.08Å; G411-N416 VanDerWaalsContact N-OD1 3.08Å
412	D	84.4	Confident	90	Very high	88 Å²	88	51.7 Å²	51.7	47%	0.471	28%	0.279	S	S	.	.			trans	-97.3	-8.5	176.8	-77.4	23.3	0	0	0	112.6	S351	S351-D412 WeakPolarHBondContact CB-OD1 3.09Å; S351-D412 WeakPolarHBondContact CB-OD2 3.28Å; S351-D412 PolarHBondContact OG-OD2 3.36Å
413	Q	85	Confident	90.3	Very high	148 Å²	148	52 Å²	52	69%	0.692	28%	0.28	S	S	*	.	S	Bend	trans	-98.6	166.3	-177.9	-65.8	-171.6	62.5	0	0	111.8	N415 N416	Q413-N415 WeakPolarHBondContact CB-O 3.45Å; Q413-N416 PolarHBondContact O-ND2 3.31Å
414	I	87.7	Confident	90.4	Very high	184 Å²	184	53.2 Å²	53.2	94%	0.944	29%	0.286	S	S	*	.	S	Bend	trans	-72.3	-51.4	174	-60.2	175.9	0	0	0	110
415	N	86.3	Confident	90.5	Very high	91 Å²	91	59.3 Å²	59.3	49%	0.487	31%	0.312	S	S	.	.			trans	-92.4	131	166.4	-169.8	-2.3	0	0	0	109.3	Q413 E417	Q413-N415 WeakPolarHBondContact CB-O 3.45Å; N415-E417 PolarHBondContact ND2-OE2 2.81Å; N415-E417 VanDerWaalsContact OD1-CB 3.28Å; N415-E417 WeakPolarHBondContact OD1-CB 3.14Å; N415-E417 WeakPolarHBondContact OD1-CG 3.29Å; N415-E417 PolarHBondContact OD1-N 2.84Å; N415-E417 PolarHBondContact OD1-OE2 2.96Å
416	N	87.9	Confident	90.6	Very high	33 Å²	33	61.4 Å²	61.4	18%	0.176	32%	0.321	C	S	.	.			trans	-121.8	10.9	176.3	-63.9	-85.9	0	0	0	112.8	G411 Q413 N418 C419 L469	G411-N416 WeakPolarHBondContact CA-OD1 3.16Å; G411-N416 PolarHBondContact N-OD1 3.08Å; G411-N416 VanDerWaalsContact N-OD1 3.08Å; Q413-N416 PolarHBondContact O-ND2 3.31Å; N416-N418 PolarHBondContact O-N 3.32Å; N416-C419 WeakPolarHBondContact O-CB 3.2Å; N416-C419 PolarHBondContact O-N 2.91Å; N416-C419 PolarHBondContact O-SG 3.4Å; N416-L469 HydrophobicContact CB-CD1 4.08Å; N416-L469 HydrophobicContact CB-CD2 4.02Å
417	E	88.6	Confident	90.8	Very high	139 Å²	139	61.1 Å²	61.1	65%	0.65	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	136.8	167.7	-74	167.3	166.5	0	0	110.1	N415 C419	N415-E417 PolarHBondContact ND2-OE2 2.81Å; N415-E417 VanDerWaalsContact OD1-CB 3.28Å; N415-E417 WeakPolarHBondContact OD1-CB 3.14Å; N415-E417 WeakPolarHBondContact OD1-CG 3.29Å; N415-E417 PolarHBondContact OD1-N 2.84Å; N415-E417 PolarHBondContact OD1-OE2 2.96Å; E417-C419 PolarHBondContact O-N 2.94Å
418	N	89.5	Confident	90.9	Very high	69 Å²	69	63.2 Å²	63.2	37%	0.369	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	11.4	175.7	-68.8	-60.4	0	0	0	116.6	N416 W420 Q421	N416-N418 PolarHBondContact O-N 3.32Å; N418-W420 PolarHBondContact O-N 3.34Å; N418-W420 PolarHBondContact OD1-NE1 3.45Å; N418-Q421 HydrophobicContact CB-CG 3.85Å; N418-Q421 VanDerWaalsContact O-CB 3.29Å; N418-Q421 WeakPolarHBondContact O-CB 3.46Å; N418-Q421 WeakPolarHBondContact O-CG 3.47Å; N418-Q421 PolarHBondContact O-N 3.22Å; N418-Q421 PolarHBondContact OD1-NE2 2.9Å
419	C	90.9	Very high	91.1	Very high	25 Å²	25	64.8 Å²	64.8	17%	0.169	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.4	177.2	67.3	0	0	0	0	114.9	F410 N416 E417	F410-C419 HydrophobicContact CB-CB 3.84Å; N416-C419 WeakPolarHBondContact O-CB 3.2Å; N416-C419 PolarHBondContact O-N 2.91Å; N416-C419 PolarHBondContact O-SG 3.4Å; E417-C419 PolarHBondContact O-N 2.94Å
420	W	92.8	Very high	91.6	Very high	11 Å²	11	65.4 Å²	65.4	4%	0.042	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-20	170.5	49.5	69.3	0	0	0	114.2	N418 I423 M424 L469 E472 F473 R476	N418-W420 PolarHBondContact O-N 3.34Å; N418-W420 PolarHBondContact OD1-NE1 3.45Å; W420-I423 PolarHBondContact O-N 3.03Å; W420-I423 VanDerWaalsContact O-N 3.16Å; W420-M424 VanDerWaalsContact CD1-CE 3.45Å; W420-M424 HydrophobicContact CG-CE 4.16Å; W420-M424 PolarHBondContact O-N 2.83Å; W420-L469 HydrophobicContact CZ3-CD1 4.38Å; W420-E472 HydrophobicContact CE3-CG 4.44Å; W420-E472 HydrophobicContact CH2-CG 3.99Å; W420-E472 WeakPolarHBondContact CH2-OE1 3.46Å; W420-E472 HydrophobicContact CZ3-CB 4.35Å; W420-E472 HydrophobicContact CZ3-CG 3.81Å; W420-F473 HydrophobicContact CB-CD1 4.18Å; W420-F473 HydrophobicContact CB-CD2 3.96Å; W420-F473 HydrophobicContact CB-CE1 4.03Å; W420-F473 HydrophobicContact CB-CE2 3.81Å; W420-F473 HydrophobicContact CB-CG 4.14Å; W420-F473 HydrophobicContact CB-CZ 3.85Å; W420-R476 VanDerWaalsContact CE2-CZ 3.49Å
421	Q	93.6	Very high	91.9	Very high	106 Å²	106	64.8 Å²	64.8	50%	0.495	33%	0.33	S	S	.	.	H	α-helix	trans	-60.3	-44.6	-171.1	-74.3	-171.4	4.6	0	0	113.7	N418 I423 M424 K425	N418-Q421 HydrophobicContact CB-CG 3.85Å; N418-Q421 VanDerWaalsContact O-CB 3.29Å; N418-Q421 WeakPolarHBondContact O-CB 3.46Å; N418-Q421 WeakPolarHBondContact O-CG 3.47Å; N418-Q421 PolarHBondContact O-N 3.22Å; N418-Q421 PolarHBondContact OD1-NE2 2.9Å; Q421-I423 PolarHBondContact O-N 3.28Å; Q421-M424 PolarHBondContact O-N 3.16Å; Q421-K425 VanDerWaalsContact O-CB 3.23Å; Q421-K425 WeakPolarHBondContact O-CB 3.49Å; Q421-K425 PolarHBondContact O-N 2.94Å
422	P	93.6	Very high	92.5	Very high	75 Å²	75	65.9 Å²	65.9	49%	0.487	33%	0.331	S	S	.	.	H	α-helix	trans	-60.8	-34.2	177.5	-23.8	35.2	0	0	0	112.7	F426	P422-F426 WeakPolarHBondContact O-CB 3.33Å; P422-F426 PolarHBondContact O-N 3.14Å
423	I	95.4	Very high	93	Very high	7 Å²	7	64 Å²	64	4%	0.036	33%	0.327	C	S	.	.	H	α-helix	trans	-75.7	-48.4	-178.6	-54	-48.8	0	0	0	110.8	M346 V348 I386 T407 W420 Q421 K425 F426 I427 F473	M346-I423 HydrophobicContact CE-CG2 4.45Å; M346-I423 HydrophobicContact SD-CG2 3.56Å; M346-I423 VanDerWaalsContact SD-CG2 3.56Å; V348-I423 HydrophobicContact CG2-CG2 3.85Å; I386-I423 HydrophobicContact CD1-CD1 3.97Å; I386-I423 HydrophobicContact CG1-CD1 4.29Å; T407-I423 HydrophobicContact CG2-CD1 3.95Å; W420-I423 PolarHBondContact O-N 3.03Å; W420-I423 VanDerWaalsContact O-N 3.16Å; Q421-I423 PolarHBondContact O-N 3.28Å; I423-K425 VanDerWaalsContact C-N 3.32Å; I423-K425 PolarHBondContact O-N 2.92Å; I423-F426 PolarHBondContact O-N 3.4Å; I423-I427 HydrophobicContact CG2-CD1 4.34Å; I423-I427 WeakPolarHBondContact O-CG1 3.28Å; I423-I427 PolarHBondContact O-N 2.86Å; I423-I427 VanDerWaalsContact O-N 3.09Å; I423-F473 HydrophobicContact CB-CZ 4.17Å; I423-F473 HydrophobicContact CG1-CZ 3.97Å; I423-F473 HydrophobicContact CG2-CE1 4.47Å; I423-F473 HydrophobicContact CG2-CZ 4.45Å
424	M	95.4	Very high	93.4	Very high	36 Å²	36	58.9 Å²	58.9	18%	0.177	30%	0.302	C	S	.	.	H	α-helix	trans	-64.2	-37	174.7	-73.3	-155.4	-69.4	0	0	112.2	W420 Q421 I427 N428 R476	W420-M424 VanDerWaalsContact CD1-CE 3.45Å; W420-M424 HydrophobicContact CG-CE 4.16Å; W420-M424 PolarHBondContact O-N 2.83Å; Q421-M424 PolarHBondContact O-N 3.16Å; M424-I427 PolarHBondContact O-N 2.83Å; M424-N428 WeakPolarHBondContact O-CB 3.28Å; M424-N428 VanDerWaalsContact O-CG 3.29Å; M424-N428 PolarHBondContact O-N 3.45Å; M424-N428 PolarHBondContact O-ND2 3.05Å; M424-R476 HydrophobicContact CE-CB 4.05Å; M424-R476 HydrophobicContact SD-CB 3.95Å
425	K	95.4	Very high	93.7	Very high	130 Å²	130	50.2 Å²	50.2	57%	0.565	26%	0.257	S	S	*	.	H	α-helix	trans	-60	-52.4	173	-168.6	-163.6	170.9	-168.9	0	110.2	Q421 I423 I427 N428 D429	Q421-K425 VanDerWaalsContact O-CB 3.23Å; Q421-K425 WeakPolarHBondContact O-CB 3.49Å; Q421-K425 PolarHBondContact O-N 2.94Å; I423-K425 VanDerWaalsContact C-N 3.32Å; I423-K425 PolarHBondContact O-N 2.92Å; K425-I427 VanDerWaalsContact C-N 3.27Å; K425-I427 PolarHBondContact O-N 3.41Å; K425-N428 CarbonylContact O-C 3.56Å; K425-N428 PolarHBondContact O-N 3.02Å; K425-N428 VanDerWaalsContact O-N 3.08Å; K425-D429 VanDerWaalsContact CE-OD2 3.26Å; K425-D429 WeakPolarHBondContact CE-OD2 3.36Å; K425-D429 IonicContact NZ-OD2 3.2Å; K425-D429 WeakPolarHBondContact O-CB 3.47Å; K425-D429 PolarHBondContact O-N 3.44Å
426	F	96.8	Very high	94	Very high	47 Å²	47	50.8 Å²	50.8	21%	0.206	26%	0.257	C	S	.	.	H	α-helix	trans	-57.3	-38.7	-179.6	-175.4	-86.6	0	0	0	113	M346 I386 I405 P422 I423 D429 Q430 I452	M346-F426 HydrophobicContact CE-CD1 3.4Å; M346-F426 VanDerWaalsContact CE-CD1 3.4Å; M346-F426 HydrophobicContact CE-CE1 3.88Å; M346-F426 HydrophobicContact CE-CG 4.36Å; I386-F426 HydrophobicContact CB-CD2 4.43Å; I386-F426 HydrophobicContact CB-CE2 4.47Å; I386-F426 HydrophobicContact CD1-CB 3.72Å; I386-F426 HydrophobicContact CD1-CD2 3.87Å; I386-F426 HydrophobicContact CD1-CG 3.86Å; I386-F426 HydrophobicContact CG2-CD1 4.4Å; I386-F426 HydrophobicContact CG2-CD2 3.94Å; I386-F426 HydrophobicContact CG2-CE1 4.21Å; I386-F426 HydrophobicContact CG2-CE2 3.74Å; I386-F426 HydrophobicContact CG2-CG 4.26Å; I386-F426 HydrophobicContact CG2-CZ 3.88Å; I405-F426 HydrophobicContact CG1-CE1 4.49Å; I405-F426 HydrophobicContact CG2-CE1 4.07Å; I405-F426 HydrophobicContact CG2-CZ 4.25Å; P422-F426 WeakPolarHBondContact O-CB 3.33Å; P422-F426 PolarHBondContact O-N 3.14Å; I423-F426 PolarHBondContact O-N 3.4Å; F426-D429 PolarHBondContact O-N 3.22Å; F426-Q430 HydrophobicContact CD1-CG 4.45Å; F426-Q430 HydrophobicContact CE1-CG 4.2Å; F426-Q430 WeakPolarHBondContact O-CG 3.48Å; F426-Q430 PolarHBondContact O-N 3.35Å; F426-I452 HydrophobicContact CE1-CD1 4.05Å
427	I	97	Very high	94.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-49.1	174.7	-67.4	164.9	0	0	0	110.9	M346 I423 M424 K425 D429 Q430 Y431 I452 L477 V480 V481	M346-I427 HydrophobicContact CE-CD1 4.44Å; M346-I427 HydrophobicContact CE-CG1 3.9Å; M346-I427 HydrophobicContact SD-CD1 4.33Å; M346-I427 HydrophobicContact SD-CG1 4.42Å; I423-I427 HydrophobicContact CG2-CD1 4.34Å; I423-I427 WeakPolarHBondContact O-CG1 3.28Å; I423-I427 PolarHBondContact O-N 2.86Å; I423-I427 VanDerWaalsContact O-N 3.09Å; M424-I427 PolarHBondContact O-N 2.83Å; K425-I427 VanDerWaalsContact C-N 3.27Å; K425-I427 PolarHBondContact O-N 3.41Å; I427-D429 VanDerWaalsContact C-N 3.33Å; I427-D429 PolarHBondContact O-N 2.64Å; I427-Q430 PolarHBondContact O-N 2.94Å; I427-Q430 VanDerWaalsContact O-N 3.15Å; I427-Y431 HydrophobicContact CG2-CD2 4.03Å; I427-Y431 HydrophobicContact CG2-CE2 3.52Å; I427-Y431 PolarHBondContact O-N 3.07Å; I427-Y431 VanDerWaalsContact O-N 3.14Å; I427-I452 HydrophobicContact CG1-CB 4.42Å; I427-I452 HydrophobicContact CG1-CG1 4.14Å; I427-L477 HydrophobicContact CD1-CD1 3.53Å; I427-V480 HydrophobicContact CD1-CG2 4.47Å; I427-V480 HydrophobicContact CG2-CB 4.44Å; I427-V480 HydrophobicContact CG2-CG2 4.39Å; I427-V481 HydrophobicContact CD1-CB 4.45Å; I427-V481 HydrophobicContact CD1-CG1 3.99Å
428	N	96.3	Very high	94.2	Very high	45 Å²	45	47.4 Å²	47.4	24%	0.241	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-39.5	176.9	-70.2	-27	0	0	0	112.2	M424 K425 Q430 Y431 E432 Y604	M424-N428 WeakPolarHBondContact O-CB 3.28Å; M424-N428 VanDerWaalsContact O-CG 3.29Å; M424-N428 PolarHBondContact O-N 3.45Å; M424-N428 PolarHBondContact O-ND2 3.05Å; K425-N428 CarbonylContact O-C 3.56Å; K425-N428 PolarHBondContact O-N 3.02Å; K425-N428 VanDerWaalsContact O-N 3.08Å; N428-Q430 PolarHBondContact O-N 3.05Å; N428-Y431 PolarHBondContact O-N 3.45Å; N428-Y431 VanDerWaalsContact O-N 3.13Å; N428-E432 WeakPolarHBondContact O-CB 3.42Å; N428-E432 PolarHBondContact O-N 2.64Å; N428-Y604 HydrophobicContact CB-CE2 3.86Å; N428-Y604 PolarHBondContact O-OH 2.93Å
429	D	96.4	Very high	94.2	Very high	67 Å²	67	48.5 Å²	48.5	36%	0.358	25%	0.245	S	C	.	.	H	α-helix	trans	-61.8	-31.6	176.5	-65.7	-15.7	0	0	0	111.2	K425 F426 I427 A433	K425-D429 VanDerWaalsContact CE-OD2 3.26Å; K425-D429 WeakPolarHBondContact CE-OD2 3.36Å; K425-D429 IonicContact NZ-OD2 3.2Å; K425-D429 WeakPolarHBondContact O-CB 3.47Å; K425-D429 PolarHBondContact O-N 3.44Å; F426-D429 PolarHBondContact O-N 3.22Å; I427-D429 VanDerWaalsContact C-N 3.33Å; I427-D429 PolarHBondContact O-N 2.64Å; D429-A433 WeakPolarHBondContact O-CB 3.46Å; D429-A433 PolarHBondContact O-N 3.07Å
430	Q	96.8	Very high	94.1	Very high	39 Å²	39	51.1 Å²	51.1	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-74.1	-37.8	172	-60.8	-40.3	-66.2	0	0	113.1	F426 I427 N428 Y434 S450 I452	F426-Q430 HydrophobicContact CD1-CG 4.45Å; F426-Q430 HydrophobicContact CE1-CG 4.2Å; F426-Q430 WeakPolarHBondContact O-CG 3.48Å; F426-Q430 PolarHBondContact O-N 3.35Å; I427-Q430 PolarHBondContact O-N 2.94Å; I427-Q430 VanDerWaalsContact O-N 3.15Å; N428-Q430 PolarHBondContact O-N 3.05Å; Q430-Y434 PolarHBondContact O-N 2.6Å; Q430-Y434 VanDerWaalsContact O-N 3.12Å; Q430-S450 WeakPolarHBondContact CG-O 3.22Å; Q430-S450 VanDerWaalsContact OE1-CB 3.26Å; Q430-S450 PolarHBondContact OE1-OG 3.26Å; Q430-I452 HydrophobicContact CG-CD1 4.25Å; Q430-I452 HydrophobicContact CG-CG1 4.27Å
431	Y	97.1	Very high	93.8	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-67.8	-38.1	174.5	-66.8	-45.9	0	0	0	111.8	I427 N428 Y434 L435 R451 V480 T596 H600 Y601 Y604	I427-Y431 HydrophobicContact CG2-CD2 4.03Å; I427-Y431 HydrophobicContact CG2-CE2 3.52Å; I427-Y431 PolarHBondContact O-N 3.07Å; I427-Y431 VanDerWaalsContact O-N 3.14Å; N428-Y431 PolarHBondContact O-N 3.45Å; N428-Y431 VanDerWaalsContact O-N 3.13Å; Y431-Y434 PolarHBondContact O-N 3.43Å; Y431-L435 VanDerWaalsContact O-CB 3.27Å; Y431-L435 WeakPolarHBondContact O-CB 3.48Å; Y431-L435 PolarHBondContact O-N 3.25Å; Y431-R451 HydrophobicContact CD1-CB 4.08Å; Y431-R451 HydrophobicContact CD1-CG 3.77Å; Y431-R451 HydrophobicContact CE1-CB 3.93Å; Y431-R451 HydrophobicContact CE1-CG 4.11Å; Y431-V480 WeakPolarHBondContact CE2-O 3.41Å; Y431-V480 PolarHBondContact OH-O 3.35Å; Y431-T596 HydrophobicContact CE1-CG2 4.33Å; Y431-H600 WeakPolarHBondContact OH-CB 3.48Å; Y431-Y601 AromaticContact CD1-CD2 3.79Å; Y431-Y601 HydrophobicContact CD1-CD2 3.79Å; Y431-Y601 HydrophobicContact CD1-CG 4.49Å; Y431-Y601 HydrophobicContact CG-CD2 4.37Å; Y431-Y604 VanDerWaalsContact CB-CD1 3.48Å; Y431-Y604 HydrophobicContact CD2-CD2 4.1Å; Y431-Y604 HydrophobicContact CD2-CG 4.09Å; Y431-Y604 HydrophobicContact CG-CD1 4.38Å; Y431-Y604 HydrophobicContact CG-CG 4.2Å
432	E	95.2	Very high	93.5	Very high	42 Å²	42	60 Å²	60	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-49.8	172.9	-168.1	65.6	-119.1	0	0	110.9	N428 Y434 L435 Q436 Y604 R608	N428-E432 WeakPolarHBondContact O-CB 3.42Å; N428-E432 PolarHBondContact O-N 2.64Å; E432-Y434 VanDerWaalsContact C-N 3.27Å; E432-Y434 PolarHBondContact O-N 2.65Å; E432-L435 PolarHBondContact O-N 3.31Å; E432-L435 VanDerWaalsContact O-N 3.11Å; E432-Q436 HydrophobicContact CG-CG 4.43Å; E432-Q436 VanDerWaalsContact O-CG 3.29Å; E432-Q436 WeakPolarHBondContact O-CG 3.49Å; E432-Q436 PolarHBondContact O-N 2.85Å; E432-Q436 PolarHBondContact OE1-NE2 2.99Å; E432-Y604 PolarHBondContact OE2-OH 3.09Å; E432-R608 WeakPolarHBondContact OE2-CD 3.29Å; E432-R608 IonicContact OE2-CZ 3.82Å; E432-R608 IonicContact OE2-NE 3.96Å; E432-R608 IonicContact OE2-NH1 2.68Å; E432-R608 PolarHBondContact OE2-NH1 2.93Å
433	A	94.4	Very high	93.1	Very high	48 Å²	48	64.5 Å²	64.5	40%	0.397	32%	0.315	S	S	.	.	H	α-helix	trans	-56.7	-40.3	178.2	0	0	0	0	0	112.8	D429 E437	D429-A433 WeakPolarHBondContact O-CB 3.46Å; D429-A433 PolarHBondContact O-N 3.07Å; A433-E437 PolarHBondContact O-N 3.31Å
434	Y	94.9	Very high	92.6	Very high	41 Å²	41	69.3 Å²	69.3	16%	0.161	34%	0.336	C	S	.	.	H	α-helix	trans	-69.5	-42.5	175.4	-170.7	-82.9	0	0	0	112.3	Q430 Y431 E432 Q436 E437 E438 I447 D449 R451 Y601	Q430-Y434 PolarHBondContact O-N 2.6Å; Q430-Y434 VanDerWaalsContact O-N 3.12Å; Y431-Y434 PolarHBondContact O-N 3.43Å; E432-Y434 VanDerWaalsContact C-N 3.27Å; E432-Y434 PolarHBondContact O-N 2.65Å; Y434-Q436 VanDerWaalsContact C-N 3.35Å; Y434-Q436 PolarHBondContact O-N 3.11Å; Y434-E437 PolarHBondContact O-N 2.95Å; Y434-E437 VanDerWaalsContact O-N 3.16Å; Y434-E438 PolarHBondContact O-N 2.91Å; Y434-I447 HydrophobicContact CD2-CG2 3.73Å; Y434-I447 HydrophobicContact CE2-CB 4.3Å; Y434-I447 HydrophobicContact CE2-CG2 3.64Å; Y434-I447 HydrophobicContact CG-CG2 4.42Å; Y434-D449 HydrophobicContact CE2-CB 4.5Å; Y434-R451 HydrophobicContact CD2-CG 4.04Å; Y434-R451 HydrophobicContact CG-CG 3.96Å; Y434-Y601 HydrophobicContact CD1-CD2 4.38Å; Y434-Y601 HydrophobicContact CD1-CE1 4.14Å; Y434-Y601 AromaticContact CD1-CE2 3.67Å; Y434-Y601 HydrophobicContact CD1-CE2 3.67Å; Y434-Y601 AromaticContact CD1-CZ 3.54Å; Y434-Y601 HydrophobicContact CE1-CE1 4.06Å; Y434-Y601 HydrophobicContact CE1-CE2 4.4Å; Y434-Y601 AromaticContact CE1-CZ 3.91Å; Y434-Y601 HydrophobicContact CG-CE2 4.49Å
435	L	94.3	Very high	92.1	Very high	1 Å²	1	78.4 Å²	78.4	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-61.7	-40.7	177.9	-179.7	61.4	0	0	0	112.1	Y431 E432 E437 E438 I439 Y601 Y604 R605 R608	Y431-L435 VanDerWaalsContact O-CB 3.27Å; Y431-L435 WeakPolarHBondContact O-CB 3.48Å; Y431-L435 PolarHBondContact O-N 3.25Å; E432-L435 PolarHBondContact O-N 3.31Å; E432-L435 VanDerWaalsContact O-N 3.11Å; L435-E437 VanDerWaalsContact C-N 3.31Å; L435-E437 PolarHBondContact O-N 3.21Å; L435-E438 PolarHBondContact O-N 3.27Å; L435-E438 VanDerWaalsContact O-N 3.15Å; L435-I439 HydrophobicContact CD1-CD1 3.79Å; L435-I439 HydrophobicContact CD1-CG1 4.11Å; L435-I439 HydrophobicContact CD2-CD1 4.48Å; L435-I439 HydrophobicContact CG-CD1 3.78Å; L435-I439 HydrophobicContact CG-CG1 4.45Å; L435-I439 WeakPolarHBondContact O-CG1 3.23Å; L435-I439 PolarHBondContact O-N 3.13Å; L435-Y601 WeakPolarHBondContact CA-OH 3.32Å; L435-Y601 HydrophobicContact CB-CE2 4.3Å; L435-Y601 WeakPolarHBondContact CD1-OH 3.43Å; L435-Y604 HydrophobicContact CD2-CE1 4.35Å; L435-R605 HydrophobicContact CD1-CB 4.48Å; L435-R605 HydrophobicContact CD1-CG 3.94Å; L435-R608 HydrophobicContact CD2-CB 3.73Å; L435-R608 HydrophobicContact CD2-CG 3.99Å
436	Q	91.9	Very high	91.6	Very high	104 Å²	104	77.2 Å²	77.2	49%	0.486	37%	0.366	S	S	.	.	H	α-helix	trans	-64.7	-33.5	175.3	-64.7	-63.5	-31.5	0	0	112.1	E432 Y434 N440	E432-Q436 HydrophobicContact CG-CG 4.43Å; E432-Q436 VanDerWaalsContact O-CG 3.29Å; E432-Q436 WeakPolarHBondContact O-CG 3.49Å; E432-Q436 PolarHBondContact O-N 2.85Å; E432-Q436 PolarHBondContact OE1-NE2 2.99Å; Y434-Q436 VanDerWaalsContact C-N 3.35Å; Y434-Q436 PolarHBondContact O-N 3.11Å; Q436-N440 WeakPolarHBondContact O-CB 3.34Å; Q436-N440 PolarHBondContact O-N 3.15Å
437	E	91.7	Very high	91.1	Very high	50 Å²	50	76.4 Å²	76.4	23%	0.234	36%	0.364	C	S	.	.	H	α-helix	trans	-75.6	-26.2	171.5	-72.2	-153.4	-155.3	0	0	113.8	A433 Y434 L435 K444 I447 P448	A433-E437 PolarHBondContact O-N 3.31Å; Y434-E437 PolarHBondContact O-N 2.95Å; Y434-E437 VanDerWaalsContact O-N 3.16Å; L435-E437 VanDerWaalsContact C-N 3.31Å; L435-E437 PolarHBondContact O-N 3.21Å; E437-K444 IonicContact OE1-NZ 3.23Å; E437-K444 PolarHBondContact OE1-NZ 3.06Å; E437-K444 VanDerWaalsContact OE2-CD 3.28Å; E437-K444 WeakPolarHBondContact OE2-CD 3.17Å; E437-K444 WeakPolarHBondContact OE2-CE 3.22Å; E437-K444 IonicContact OE2-NZ 2.91Å; E437-K444 PolarHBondContact OE2-NZ 3.11Å; E437-I447 HydrophobicContact CB-CD1 4.15Å; E437-I447 HydrophobicContact CB-CG1 4.14Å; E437-I447 HydrophobicContact CB-CG2 3.76Å; E437-I447 WeakPolarHBondContact O-CD1 3.12Å; E437-P448 WeakPolarHBondContact OE2-CD 3.48Å
438	E	89.6	Confident	90.6	Very high	50 Å²	50	79.3 Å²	79.3	23%	0.234	38%	0.382	C	S	.	.	H	α-helix	trans	-74.8	-41.3	174.6	-168.8	-178.8	173.1	0	0	112.4	Y434 L435 N440 I447 Y601 R605	Y434-E438 PolarHBondContact O-N 2.91Å; L435-E438 PolarHBondContact O-N 3.27Å; L435-E438 VanDerWaalsContact O-N 3.15Å; E438-N440 VanDerWaalsContact C-N 3.34Å; E438-I447 HydrophobicContact CB-CD1 4.25Å; E438-Y601 WeakPolarHBondContact OE2-CE1 3.34Å; E438-Y601 PolarHBondContact OE2-OH 2.87Å; E438-R605 IonicContact OE1-CZ 3.92Å; E438-R605 IonicContact OE1-NH1 3.78Å; E438-R605 PolarHBondContact OE1-NH1 2.84Å; E438-R605 IonicContact OE1-NH2 3.75Å; E438-R605 PolarHBondContact OE1-NH2 3.46Å; E438-R605 IonicContact OE2-CZ 2.78Å; E438-R605 IonicContact OE2-NH1 3.98Å; E438-R605 PolarHBondContact OE2-NH1 3.35Å; E438-R605 IonicContact OE2-NH2 3.29Å
439	I	89.1	Confident	90.4	Very high	92 Å²	92	78 Å²	78	47%	0.472	38%	0.375	S	S	.	.	H	α-helix	trans	-72.1	-26.2	-179.9	-68.4	172.4	0	0	0	112.1	L435 I441 L609	L435-I439 HydrophobicContact CD1-CD1 3.79Å; L435-I439 HydrophobicContact CD1-CG1 4.11Å; L435-I439 HydrophobicContact CD2-CD1 4.48Å; L435-I439 HydrophobicContact CG-CD1 3.78Å; L435-I439 HydrophobicContact CG-CG1 4.45Å; L435-I439 WeakPolarHBondContact O-CG1 3.23Å; L435-I439 PolarHBondContact O-N 3.13Å; I439-I441 PolarHBondContact O-N 3.49Å; I439-L609 HydrophobicContact CD1-CD2 4.25Å
440	N	89.1	Confident	90.2	Very high	81 Å²	81	76.9 Å²	76.9	43%	0.433	37%	0.373	S	S	.	.			trans	-60.7	122.9	-176.2	-173.8	-11.5	0	0	0	112.6	Q436 E438 N442 R443	Q436-N440 WeakPolarHBondContact O-CB 3.34Å; Q436-N440 PolarHBondContact O-N 3.15Å; E438-N440 VanDerWaalsContact C-N 3.34Å; N440-N442 PolarHBondContact O-N 3.36Å; N440-N442 PolarHBondContact OD1-N 3.02Å; N440-R443 VanDerWaalsContact O-CB 3.27Å; N440-R443 WeakPolarHBondContact O-CB 3.02Å; N440-R443 PolarHBondContact O-N 3.3Å
441	I	86.3	Confident	90.2	Very high	160 Å²	160	75.3 Å²	75.3	82%	0.821	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-41.5	177	-59.4	172.6	0	0	0	111.1	I439 R443	I439-I441 PolarHBondContact O-N 3.49Å; I441-R443 PolarHBondContact O-N 2.9Å
442	N	87.3	Confident	90.2	Very high	143 Å²	143	75.3 Å²	75.3	77%	0.765	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	39.5	177.8	-69.4	-32.9	0	0	0	112	N440	N440-N442 PolarHBondContact O-N 3.36Å; N440-N442 PolarHBondContact OD1-N 3.02Å
443	R	84.8	Confident	90.3	Very high	169 Å²	169	73.3 Å²	73.3	64%	0.638	36%	0.356	S	S	*	.			trans	-54.9	141.4	-179.4	59.8	-177.9	-174.8	177.8	0.7	113	N440 I441	N440-R443 VanDerWaalsContact O-CB 3.27Å; N440-R443 WeakPolarHBondContact O-CB 3.02Å; N440-R443 PolarHBondContact O-N 3.3Å; I441-R443 PolarHBondContact O-N 2.9Å
444	K	85	Confident	90.4	Very high	109 Å²	109	71 Å²	71	47%	0.474	34%	0.337	S	S	.	.			trans	-62.8	143.8	173.1	-58.2	171.1	-164.6	156.3	0	109.6	E437 R446	E437-K444 IonicContact OE1-NZ 3.23Å; E437-K444 PolarHBondContact OE1-NZ 3.06Å; E437-K444 VanDerWaalsContact OE2-CD 3.28Å; E437-K444 WeakPolarHBondContact OE2-CD 3.17Å; E437-K444 WeakPolarHBondContact OE2-CE 3.22Å; E437-K444 IonicContact OE2-NZ 2.91Å; E437-K444 PolarHBondContact OE2-NZ 3.11Å; K444-R446 VanDerWaalsContact CB-O 3.26Å; K444-R446 WeakPolarHBondContact CB-O 3.33Å; K444-R446 PolarHBondContact O-N 2.82Å
445	K	84.3	Confident	90.6	Very high	226 Å²	226	69.1 Å²	69.1	98%	0.983	33%	0.33	S	S	*	.	S	Bend	trans	-58.5	-20.2	173.9	-174.7	170.4	-179.2	173.5	0	113.5
446	R	84.6	Confident	90.7	Very high	106 Å²	106	69.2 Å²	69.2	40%	0.4	33%	0.33	S	S	.	.	S	Bend	trans	-137.9	117.7	166.2	175.4	-173.9	-176.2	156.1	7.6	107.3	Q339 G340 E342 K444	Q339-R446 VanDerWaalsContact O-CZ 3.32Å; Q339-R446 PolarHBondContact O-NH1 3.18Å; Q339-R446 PolarHBondContact O-NH2 3.24Å; G340-R446 PolarHBondContact O-NH2 2.82Å; E342-R446 IonicContact OE1-CZ 2.8Å; E342-R446 VanDerWaalsContact OE1-CZ 3.26Å; E342-R446 IonicContact OE1-NE 3.86Å; E342-R446 PolarHBondContact OE1-NE 3.28Å; E342-R446 VanDerWaalsContact OE1-NE 3.17Å; E342-R446 IonicContact OE1-NH2 2.71Å; E342-R446 PolarHBondContact OE1-NH2 2.93Å; K444-R446 VanDerWaalsContact CB-O 3.26Å; K444-R446 WeakPolarHBondContact CB-O 3.33Å; K444-R446 PolarHBondContact O-N 2.82Å
447	I	87.5	Confident	91	Very high	30 Å²	30	64.3 Å²	64.3	15%	0.154	31%	0.307	C	S	.	.			trans	-74.9	132.2	166.6	-62.1	171.7	0	0	0	107	Y434 E437 E438	Y434-I447 HydrophobicContact CD2-CG2 3.73Å; Y434-I447 HydrophobicContact CE2-CB 4.3Å; Y434-I447 HydrophobicContact CE2-CG2 3.64Å; Y434-I447 HydrophobicContact CG-CG2 4.42Å; E437-I447 HydrophobicContact CB-CD1 4.15Å; E437-I447 HydrophobicContact CB-CG1 4.14Å; E437-I447 HydrophobicContact CB-CG2 3.76Å; E437-I447 WeakPolarHBondContact O-CD1 3.12Å; E438-I447 HydrophobicContact CB-CD1 4.25Å
448	P	86.6	Confident	91.3	Very high	60 Å²	60	62 Å²	62	39%	0.39	30%	0.297	S	S	.	.			trans	-70.9	134.7	172.9	30.5	-33	0	0	0	109.6	E437 S450	E437-P448 WeakPolarHBondContact OE2-CD 3.48Å; P448-S450 PolarHBondContact O-N 2.79Å
449	D	91.4	Very high	91.7	Very high	18 Å²	18	59.7 Å²	59.7	10%	0.096	29%	0.286	C	S	.	.			trans	-93.7	93.4	-172.9	-161.7	-9.1	0	0	0	110	E342 N344 Y434 R451 H453 K593	E342-D449 PolarHBondContact OE2-N 3.5Å; N344-D449 PolarHBondContact ND2-O 3.1Å; Y434-D449 HydrophobicContact CE2-CB 4.5Å; D449-R451 WeakPolarHBondContact OD1-CB 3.36Å; D449-R451 IonicContact OD1-CZ 3.63Å; D449-R451 PolarHBondContact OD1-N 3.47Å; D449-R451 IonicContact OD1-NE 2.7Å; D449-R451 PolarHBondContact OD1-NE 3.09Å; D449-R451 IonicContact OD1-NH2 3.09Å; D449-R451 PolarHBondContact OD1-NH2 3.31Å; D449-R451 IonicContact OD2-CZ 3.49Å; D449-R451 IonicContact OD2-NE 2.86Å; D449-R451 IonicContact OD2-NH2 3.35Å; D449-R451 PolarHBondContact OD2-NH2 2.87Å; D449-H453 IonicContact OD1-CE1 3.06Å; D449-H453 IonicContact OD1-NE2 3.22Å; D449-H453 IonicContact OD2-CE1 3.98Å; D449-H453 IonicContact OD2-NE2 2.76Å; D449-H453 PolarHBondContact OD2-NE2 2.87Å; D449-K593 IonicContact OD2-NZ 3.94Å; D449-K593 PolarHBondContact OD2-NZ 3.34Å
450	S	92.6	Very high	92	Very high	43 Å²	43	55.9 Å²	55.9	30%	0.301	27%	0.267	S	S	.	.			trans	-89.4	-4.7	176.9	75.5	0	0	0	0	114	Q430 P448	Q430-S450 WeakPolarHBondContact CG-O 3.22Å; Q430-S450 VanDerWaalsContact OE1-CB 3.26Å; Q430-S450 PolarHBondContact OE1-OG 3.26Å; P448-S450 PolarHBondContact O-N 2.79Å
451	R	96.6	Very high	92.3	Very high	6 Å²	6	53.7 Å²	53.7	2%	0.023	26%	0.257	C	S	.	.	S	Bend	trans	-60	146.9	-177.4	-59.4	176	-65.3	172.4	7.8	110.8	N344 Y431 Y434 D449 H453 S597	N344-R451 WeakPolarHBondContact CB-O 3.24Å; N344-R451 PolarHBondContact ND2-O 3.02Å; Y431-R451 HydrophobicContact CD1-CB 4.08Å; Y431-R451 HydrophobicContact CD1-CG 3.77Å; Y431-R451 HydrophobicContact CE1-CB 3.93Å; Y431-R451 HydrophobicContact CE1-CG 4.11Å; Y434-R451 HydrophobicContact CD2-CG 4.04Å; Y434-R451 HydrophobicContact CG-CG 3.96Å; D449-R451 WeakPolarHBondContact OD1-CB 3.36Å; D449-R451 IonicContact OD1-CZ 3.63Å; D449-R451 PolarHBondContact OD1-N 3.47Å; D449-R451 IonicContact OD1-NE 2.7Å; D449-R451 PolarHBondContact OD1-NE 3.09Å; D449-R451 IonicContact OD1-NH2 3.09Å; D449-R451 PolarHBondContact OD1-NH2 3.31Å; D449-R451 IonicContact OD2-CZ 3.49Å; D449-R451 IonicContact OD2-NE 2.86Å; D449-R451 IonicContact OD2-NH2 3.35Å; D449-R451 PolarHBondContact OD2-NH2 2.87Å; R451-H453 PolarHBondContact O-CE1 3.44Å; R451-H453 PolarHBondContact O-N 2.95Å; R451-H453 PolarHBondContact O-ND1 3.45Å; R451-S597 PolarHBondContact NH1-OG 3.18Å; R451-S597 PolarHBondContact NH2-OG 2.71Å
452	I	97.6	Very high	92.6	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	23%	0.234	C	C	.	.			trans	-84.8	118.2	-179.2	-51.9	-57.4	0	0	0	108.6	N344 M346 I405 F426 I427 Q430 V481 T596	N344-I452 HydrophobicContact CB-CD1 4.45Å; M346-I452 HydrophobicContact CB-CG2 3.7Å; M346-I452 HydrophobicContact CE-CD1 4.37Å; M346-I452 HydrophobicContact CE-CG1 4.14Å; I405-I452 HydrophobicContact CD1-CD1 3.85Å; I405-I452 HydrophobicContact CG1-CD1 4.26Å; F426-I452 HydrophobicContact CE1-CD1 4.05Å; I427-I452 HydrophobicContact CG1-CB 4.42Å; I427-I452 HydrophobicContact CG1-CG1 4.14Å; Q430-I452 HydrophobicContact CG-CD1 4.25Å; Q430-I452 HydrophobicContact CG-CG1 4.27Å; I452-V481 HydrophobicContact CB-CG2 4.43Å; I452-V481 HydrophobicContact CG2-CG2 4.03Å; I452-T596 WeakPolarHBondContact O-CG2 3.48Å
453	H	97.3	Very high	92.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.204	C	C	.	.			trans	-91.3	-35.5	-170.5	-60.2	91.9	0	0	0	112.6	L343 N344 D449 R451 N482 I592 K593 T596	L343-H453 HydrophobicContact CD1-CB 3.93Å; N344-H453 PolarHBondContact N-ND1 3.25Å; N344-H453 PolarHBondContact ND2-CE1 2.82Å; N344-H453 WeakPolarHBondContact O-CB 3.12Å; N344-H453 PolarHBondContact O-N 3.03Å; D449-H453 IonicContact OD1-CE1 3.06Å; D449-H453 IonicContact OD1-NE2 3.22Å; D449-H453 IonicContact OD2-CE1 3.98Å; D449-H453 IonicContact OD2-NE2 2.76Å; D449-H453 PolarHBondContact OD2-NE2 2.87Å; R451-H453 PolarHBondContact O-CE1 3.44Å; R451-H453 PolarHBondContact O-N 2.95Å; R451-H453 PolarHBondContact O-ND1 3.45Å; H453-N482 PolarHBondContact O-ND2 3.1Å; H453-I592 HydrophobicContact CB-CG2 4.11Å; H453-I592 WeakPolarHBondContact O-CG2 3.49Å; H453-K593 PolarHBondContact CE1-NZ 3.17Å; H453-K593 PolarHBondContact NE2-NZ 3.03Å; H453-T596 VanDerWaalsContact CA-OG1 3.32Å; H453-T596 WeakPolarHBondContact CA-OG1 3.44Å; H453-T596 PolarHBondContact O-OG1 2.92Å
454	C	97.3	Very high	92.8	Very high	1 Å²	1	41 Å²	41	1%	0.007	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	142.3	178.5	179.8	0	0	0	0	109.8	I345 M346 L584 I592	I345-C454 CarbonylContact C-O 3.58Å; I345-C454 WeakPolarHBondContact CA-O 3.36Å; I345-C454 HydrophobicContact CG2-CB 4.45Å; M346-C454 PolarHBondContact N-O 3.49Å; C454-L584 HydrophobicContact CB-CD2 4.24Å; C454-L584 VanDerWaalsContact SG-CD2 3.54Å; C454-I592 HydrophobicContact CB-CG2 4.01Å
455	C	97.7	Very high	93.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.1	167	-170.9	0	0	0	0	109.9	M346 V348 L477 V481 N482 I483 V484	M346-C455 CarbonylContact O-C 3.59Å; M346-C455 WeakPolarHBondContact O-CA 3.48Å; V348-C455 WeakPolarHBondContact CG2-SG 3.13Å; C455-L477 HydrophobicContact CB-CD2 4.34Å; C455-V481 HydrophobicContact CB-CG1 3.79Å; C455-V481 HydrophobicContact CB-CG2 4.29Å; C455-N482 PolarHBondContact N-O 3.39Å; C455-I483 WeakPolarHBondContact O-CA 3.21Å; C455-V484 PolarHBondContact O-N 2.75Å
456	I	97.8	Very high	93.6	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	115.6	170.3	-53.8	176.6	0	0	0	107.5	I345 M346 V348 F458 V484 V486 L584	I345-I456 HydrophobicContact CG2-CD1 3.73Å; I345-I456 HydrophobicContact CG2-CG1 3.72Å; M346-I456 PolarHBondContact O-N 3.21Å; V348-I456 PolarHBondContact N-O 3.39Å; I456-F458 HydrophobicContact CG2-CD2 4.02Å; I456-F458 HydrophobicContact CG2-CE2 3.73Å; I456-V484 WeakPolarHBondContact CA-O 3.39Å; I456-V486 HydrophobicContact CG2-CB 4.09Å; I456-V486 HydrophobicContact CG2-CG2 3.56Å; I456-L584 HydrophobicContact CD1-CD1 3.65Å; I456-L584 HydrophobicContact CG1-CD1 4.22Å
457	Y	97.9	Very high	94	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	112.9	-175.8	-168	-83.5	0	0	0	111.6	V348 F410 I459 D470 F473 M474 L477 V484 P485 V486	V348-Y457 HydrophobicContact CB-CD2 4.26Å; V348-Y457 HydrophobicContact CG1-CD2 3.83Å; V348-Y457 HydrophobicContact CG1-CE2 3.83Å; F410-Y457 HydrophobicContact CE1-CE2 4.42Å; F410-Y457 HydrophobicContact CZ-CE2 4.24Å; F410-Y457 AromaticContact CZ-CZ 3.9Å; F410-Y457 VanDerWaalsContact CZ-OH 3.24Å; F410-Y457 WeakPolarHBondContact CZ-OH 3.19Å; Y457-I459 HydrophobicContact CD1-CG1 4.08Å; Y457-I459 HydrophobicContact CE1-CG1 4.34Å; Y457-I459 PolarHBondContact O-N 2.88Å; Y457-D470 HydrophobicContact CE1-CB 4.15Å; Y457-D470 VanDerWaalsContact OH-CA 3.29Å; Y457-D470 WeakPolarHBondContact OH-CA 3.5Å; Y457-D470 PolarHBondContact OH-OD1 3.26Å; Y457-F473 HydrophobicContact CE2-CB 4.17Å; Y457-F473 AromaticContact CE2-CD1 3.75Å; Y457-F473 HydrophobicContact CE2-CD1 3.75Å; Y457-F473 HydrophobicContact CE2-CE1 4.34Å; Y457-F473 AromaticContact CE2-CG 3.96Å; Y457-F473 HydrophobicContact CE2-CG 3.96Å; Y457-M474 HydrophobicContact CD1-CE 4.46Å; Y457-M474 HydrophobicContact CD1-CG 3.7Å; Y457-M474 HydrophobicContact CD1-SD 3.49Å; Y457-M474 WeakPolarHBondContact CD1-SD 3.39Å; Y457-M474 HydrophobicContact CD2-CG 3.87Å; Y457-M474 HydrophobicContact CE1-CE 4.19Å; Y457-M474 HydrophobicContact CE1-CG 3.66Å; Y457-M474 HydrophobicContact CE1-SD 3.73Å; Y457-M474 HydrophobicContact CE2-CG 3.82Å; Y457-M474 HydrophobicContact CG-CG 3.8Å; Y457-M474 HydrophobicContact CG-SD 4Å; Y457-L477 HydrophobicContact CD2-CD2 4.18Å; Y457-V484 PolarHBondContact N-O 3.16Å; Y457-P485 WeakPolarHBondContact O-CA 3.5Å; Y457-V486 PolarHBondContact O-N 3.15Å
458	F	97.9	Very high	94.3	Very high	3 Å²	3	30.3 Å²	30.3	1%	0.013	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	111.8	-176.4	-81.8	-131.6	0	0	0	111.4	V347 V348 L353 K355 L358 I456 V486 A488	V347-F458 HydrophobicContact CG1-CD2 3.79Å; V347-F458 HydrophobicContact CG1-CE2 3.29Å; V347-F458 HydrophobicContact CG1-CZ 3.91Å; V348-F458 PolarHBondContact O-N 3.49Å; L353-F458 HydrophobicContact CB-CB 4.37Å; L353-F458 HydrophobicContact CB-CD1 3.92Å; L353-F458 HydrophobicContact CD1-CB 3.78Å; L353-F458 WeakPolarHBondContact CD1-O 3.46Å; K355-F458 HydrophobicContact CG-CD1 4.03Å; K355-F458 HydrophobicContact CG-CD2 4.44Å; K355-F458 HydrophobicContact CG-CE1 4.24Å; K355-F458 HydrophobicContact CG-CG 4.14Å; L358-F458 HydrophobicContact CB-CE1 4.41Å; L358-F458 HydrophobicContact CB-CZ 3.67Å; L358-F458 HydrophobicContact CD2-CE2 3.75Å; L358-F458 HydrophobicContact CD2-CZ 3.41Å; L358-F458 VanDerWaalsContact CD2-CZ 3.41Å; L358-F458 HydrophobicContact CG-CZ 4.12Å; I456-F458 HydrophobicContact CG2-CD2 4.02Å; I456-F458 HydrophobicContact CG2-CE2 3.73Å; F458-V486 WeakPolarHBondContact CA-O 3.3Å; F458-A488 HydrophobicContact CB-CB 4.32Å; F458-A488 HydrophobicContact CD1-CB 3.59Å; F458-A488 HydrophobicContact CE1-CB 4.33Å; F458-A488 HydrophobicContact CG-CB 4.31Å
459	I	96.9	Very high	94.6	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.5	172.7	-59.9	165.9	0	0	0	108.4	Y457 L466 P485 V486 A488 F501 I505 P540	Y457-I459 HydrophobicContact CD1-CG1 4.08Å; Y457-I459 HydrophobicContact CE1-CG1 4.34Å; Y457-I459 PolarHBondContact O-N 2.88Å; I459-L466 HydrophobicContact CD1-CD2 3.82Å; I459-L466 HydrophobicContact CG1-CD2 4.11Å; I459-L466 HydrophobicContact CG2-CD2 3.86Å; I459-P485 HydrophobicContact CD1-CB 3.9Å; I459-V486 PolarHBondContact N-O 2.73Å; I459-A488 WeakPolarHBondContact O-CB 3.45Å; I459-A488 PolarHBondContact O-N 2.86Å; I459-F501 HydrophobicContact CG2-CE1 4.27Å; I459-F501 HydrophobicContact CG2-CZ 3.96Å; I459-I505 HydrophobicContact CD1-CD1 4.13Å; I459-I505 HydrophobicContact CD1-CG2 3.99Å; I459-I505 HydrophobicContact CG2-CD1 4.13Å; I459-P540 HydrophobicContact CD1-CB 4.38Å
460	P	96	Very high	94.8	Very high	12 Å²	12	28.4 Å²	28.4	8%	0.078	16%	0.164	C	C	.	.			trans	-63.1	142	173.5	-16.5	27.8	0	0	0	111.8	L353 T462 F501	L353-P460 HydrophobicContact CD1-CG 4.07Å; L353-P460 HydrophobicContact CD2-CB 3.98Å; L353-P460 HydrophobicContact CD2-CG 4.23Å; P460-T462 VanDerWaalsContact C-N 3.31Å; P460-T462 HydrophobicContact CB-CG2 4.24Å; P460-T462 PolarHBondContact O-N 2.88Å; P460-F501 WeakPolarHBondContact O-CE1 3.35Å; P460-F501 VanDerWaalsContact O-CZ 3.31Å; P460-F501 WeakPolarHBondContact O-CZ 3.33Å
461	P	95.5	Very high	94.9	Very high	34 Å²	34	26.9 Å²	26.9	22%	0.221	15%	0.152	C	C	.	.			trans	-76.6	79.4	177.4	32.7	-34.9	0	0	0	110.6	I487 A488 K489 T492 L493	P461-I487 HydrophobicContact CB-CG2 4.15Å; P461-A488 WeakPolarHBondContact CB-O 3.46Å; P461-A488 VanDerWaalsContact CD-O 3.29Å; P461-A488 WeakPolarHBondContact CD-O 3.26Å; P461-A488 VanDerWaalsContact CG-O 3.22Å; P461-A488 WeakPolarHBondContact CG-O 3.41Å; P461-K489 HydrophobicContact CG-CB 4.45Å; P461-T492 WeakPolarHBondContact CB-OG1 3.33Å; P461-T492 WeakPolarHBondContact CG-OG1 3.25Å; P461-L493 HydrophobicContact CB-CD1 4Å; P461-L493 HydrophobicContact CB-CD2 4.27Å; P461-L493 HydrophobicContact CB-CG 4Å
462	T	92.1	Very high	94.8	Very high	55 Å²	55	29.7 Å²	29.7	34%	0.337	17%	0.166	S	C	.	.			trans	-89.1	-18.9	179.8	58.5	0	0	0	0	113.5	P460 H464 C465 F501	P460-T462 VanDerWaalsContact C-N 3.31Å; P460-T462 HydrophobicContact CB-CG2 4.24Å; P460-T462 PolarHBondContact O-N 2.88Å; T462-H464 PolarHBondContact O-N 2.91Å; T462-H464 PolarHBondContact OG1-N 2.92Å; T462-C465 PolarHBondContact OG1-O 3.16Å; T462-F501 VanDerWaalsContact OG1-CE2 3.26Å; T462-F501 WeakPolarHBondContact OG1-CE2 3.48Å; T462-F501 VanDerWaalsContact OG1-CZ 3.25Å; T462-F501 WeakPolarHBondContact OG1-CZ 3.47Å
463	G	88	Confident	94.7	Very high	14 Å²	14	29.6 Å²	29.6	14%	0.144	17%	0.165	C	C	.	.	S	Bend	trans	66.2	8.9	-172.6	0	0	0	0	0	114.3
464	H	88.3	Confident	94.7	Very high	137 Å²	137	29.6 Å²	29.6	63%	0.634	17%	0.165	S	C	*	.	S	Bend	trans	-122.5	-119	-172.4	-61.7	-17.4	0	0	0	110.7	T462 F501 K504	T462-H464 PolarHBondContact O-N 2.91Å; T462-H464 PolarHBondContact OG1-N 2.92Å; H464-F501 VanDerWaalsContact O-CD2 3.25Å; H464-F501 WeakPolarHBondContact O-CD2 3.41Å; H464-F501 WeakPolarHBondContact O-CE2 3.09Å; H464-K504 WeakPolarHBondContact O-CG 3.35Å
465	C	91.2	Very high	94.6	Very high	66 Å²	66	33.8 Å²	33.8	45%	0.446	18%	0.181	S	C	.	.			trans	-105.3	166.8	175.8	53.7	0	0	0	0	111.9	T462 E508	T462-C465 PolarHBondContact OG1-O 3.16Å; C465-E508 WeakPolarHBondContact CA-OE2 3.47Å; C465-E508 WeakPolarHBondContact CB-OE1 3.29Å; C465-E508 WeakPolarHBondContact CB-OE2 3.44Å
466	L	94.4	Very high	94.5	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.037	20%	0.197	C	C	.	.			trans	-60.9	141.7	160.1	-66.9	175.3	0	0	0	109.6	I459 V471 M474 I505 E508 L509	I459-L466 HydrophobicContact CD1-CD2 3.82Å; I459-L466 HydrophobicContact CG1-CD2 4.11Å; I459-L466 HydrophobicContact CG2-CD2 3.86Å; L466-V471 HydrophobicContact CB-CG2 3.65Å; L466-V471 HydrophobicContact CD1-CG2 4.04Å; L466-M474 HydrophobicContact CD1-CE 3.88Å; L466-M474 HydrophobicContact CD2-CE 4.03Å; L466-I505 HydrophobicContact CD1-CG2 4.31Å; L466-I505 HydrophobicContact CD2-CG1 3.91Å; L466-I505 HydrophobicContact CD2-CG2 4.08Å; L466-I505 HydrophobicContact CG-CG1 4.15Å; L466-I505 HydrophobicContact CG-CG2 4.35Å; L466-E508 WeakPolarHBondContact CB-OE2 3.39Å; L466-E508 HydrophobicContact CD1-CB 3.99Å; L466-E508 HydrophobicContact CG-CB 4.48Å; L466-E508 PolarHBondContact N-OE2 3.44Å; L466-L509 HydrophobicContact CD1-CD2 4.17Å; L466-L509 HydrophobicContact CD1-CG 4.22Å
467	R	93.4	Very high	94.4	Very high	62 Å²	62	38 Å²	38	23%	0.234	20%	0.197	C	C	.	.			trans	-75.2	146.8	174.5	-53.5	177	-61.3	176.5	1.1	109.3	L469 D470 V471	R467-L469 PolarHBondContact O-N 2.74Å; R467-L469 VanDerWaalsContact O-N 3.1Å; R467-D470 WeakPolarHBondContact CB-OD2 3.28Å; R467-D470 IonicContact CZ-OD1 3.48Å; R467-D470 IonicContact CZ-OD2 3.89Å; R467-D470 IonicContact NE-OD1 2.75Å; R467-D470 PolarHBondContact NE-OD1 2.66Å; R467-D470 IonicContact NE-OD2 3.78Å; R467-D470 PolarHBondContact NE-OD2 2.84Å; R467-D470 IonicContact NH2-OD1 3.37Å; R467-D470 PolarHBondContact NH2-OD1 3.06Å; R467-D470 IonicContact NH2-OD2 3.73Å; R467-D470 PolarHBondContact NH2-OD2 2.7Å; R467-D470 PolarHBondContact O-N 3.22Å; R467-V471 PolarHBondContact O-N 2.89Å
468	P	93.6	Very high	94.3	Very high	111 Å²	111	38.5 Å²	38.5	72%	0.721	20%	0.2	S	C	*	.	H	α-helix	trans	-53	-35.2	176.5	-28.6	35.7	0	0	0	113.8	V471 E472	P468-V471 PolarHBondContact O-N 3.49Å; P468-E472 PolarHBondContact O-N 2.86Å
469	L	93.5	Very high	94.1	Very high	38 Å²	38	44.7 Å²	44.7	20%	0.199	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-43.2	173.9	-175.4	63.8	0	0	0	112.6	F410 N416 W420 R467 F473	F410-L469 HydrophobicContact CD2-CD2 3.99Å; F410-L469 HydrophobicContact CD2-CG 4.45Å; F410-L469 HydrophobicContact CE2-CD2 4.31Å; N416-L469 HydrophobicContact CB-CD1 4.08Å; N416-L469 HydrophobicContact CB-CD2 4.02Å; W420-L469 HydrophobicContact CZ3-CD1 4.38Å; R467-L469 PolarHBondContact O-N 2.74Å; R467-L469 VanDerWaalsContact O-N 3.1Å; L469-F473 WeakPolarHBondContact O-CB 3.49Å; L469-F473 PolarHBondContact O-N 2.87Å
470	D	95.3	Very high	94	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-72.6	-39.9	-178.4	-54.5	-36.7	0	0	0	110.8	Y457 R467 F473 M474	Y457-D470 HydrophobicContact CE1-CB 4.15Å; Y457-D470 VanDerWaalsContact OH-CA 3.29Å; Y457-D470 WeakPolarHBondContact OH-CA 3.5Å; Y457-D470 PolarHBondContact OH-OD1 3.26Å; R467-D470 WeakPolarHBondContact CB-OD2 3.28Å; R467-D470 IonicContact CZ-OD1 3.48Å; R467-D470 IonicContact CZ-OD2 3.89Å; R467-D470 IonicContact NE-OD1 2.75Å; R467-D470 PolarHBondContact NE-OD1 2.66Å; R467-D470 IonicContact NE-OD2 3.78Å; R467-D470 PolarHBondContact NE-OD2 2.84Å; R467-D470 IonicContact NH2-OD1 3.37Å; R467-D470 PolarHBondContact NH2-OD1 3.06Å; R467-D470 IonicContact NH2-OD2 3.73Å; R467-D470 PolarHBondContact NH2-OD2 2.7Å; R467-D470 PolarHBondContact O-N 3.22Å; D470-F473 PolarHBondContact O-N 3.49Å; D470-M474 HydrophobicContact CB-CE 4.34Å; D470-M474 WeakPolarHBondContact O-CB 3.47Å; D470-M474 WeakPolarHBondContact O-CE 3.39Å; D470-M474 WeakPolarHBondContact O-CG 3.48Å; D470-M474 PolarHBondContact O-N 2.88Å
471	V	95.6	Very high	94.1	Very high	11 Å²	11	45 Å²	45	7%	0.067	23%	0.228	C	C	.	.	H	α-helix	trans	-57.3	-48	172.9	173.1	0	0	0	0	110.8	L466 R467 P468 R475 N512 I514	L466-V471 HydrophobicContact CB-CG2 3.65Å; L466-V471 HydrophobicContact CD1-CG2 4.04Å; R467-V471 PolarHBondContact O-N 2.89Å; P468-V471 PolarHBondContact O-N 3.49Å; V471-R475 WeakPolarHBondContact O-CB 3.41Å; V471-R475 PolarHBondContact O-N 3.26Å; V471-N512 HydrophobicContact CG1-CB 3.85Å; V471-N512 VanDerWaalsContact CG1-OD1 3.25Å; V471-N512 WeakPolarHBondContact CG1-OD1 3.46Å; V471-I514 HydrophobicContact CB-CD1 4.44Å; V471-I514 HydrophobicContact CG1-CD1 3.93Å; V471-I514 VanDerWaalsContact O-CD1 3.32Å; V471-I514 WeakPolarHBondContact O-CD1 3.13Å
472	E	94	Very high	94.2	Very high	64 Å²	64	43.4 Å²	43.4	30%	0.299	22%	0.218	S	C	.	.	H	α-helix	trans	-68.2	-40.8	178.4	-176.5	167.6	-172.5	0	0	112.7	W420 P468 R475 R476	W420-E472 HydrophobicContact CE3-CG 4.44Å; W420-E472 HydrophobicContact CH2-CG 3.99Å; W420-E472 WeakPolarHBondContact CH2-OE1 3.46Å; W420-E472 HydrophobicContact CZ3-CB 4.35Å; W420-E472 HydrophobicContact CZ3-CG 3.81Å; P468-E472 PolarHBondContact O-N 2.86Å; E472-R475 PolarHBondContact O-N 3.24Å; E472-R476 HydrophobicContact CG-CG 4.5Å; E472-R476 WeakPolarHBondContact O-CG 3.35Å; E472-R476 PolarHBondContact O-N 3.09Å; E472-R476 VanDerWaalsContact O-N 3.09Å; E472-R476 IonicContact OE1-CZ 3.7Å; E472-R476 IonicContact OE1-NE 3.88Å; E472-R476 PolarHBondContact OE1-NE 2.78Å; E472-R476 IonicContact OE1-NH2 2.78Å; E472-R476 PolarHBondContact OE1-NH2 3.4Å
473	F	95.6	Very high	94.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.8	-52.8	177.4	-155.7	-54.1	0	0	0	110.7	V348 F410 W420 I423 Y457 L469 D470 R475 R476 L477	V348-F473 HydrophobicContact CG1-CD1 4.43Å; V348-F473 HydrophobicContact CG1-CE1 3.69Å; V348-F473 HydrophobicContact CG1-CZ 3.73Å; F410-F473 HydrophobicContact CB-CE2 4.48Å; F410-F473 AromaticContact CD1-CD2 3.93Å; F410-F473 HydrophobicContact CD1-CD2 3.93Å; F410-F473 AromaticContact CD1-CE2 3.37Å; F410-F473 HydrophobicContact CD1-CE2 3.37Å; F410-F473 HydrophobicContact CD1-CZ 4.09Å; F410-F473 HydrophobicContact CD2-CD2 4.28Å; F410-F473 HydrophobicContact CD2-CE2 4.41Å; F410-F473 AromaticContact CE1-CD2 3.79Å; F410-F473 HydrophobicContact CE1-CD2 3.79Å; F410-F473 AromaticContact CE1-CE2 3.54Å; F410-F473 HydrophobicContact CE1-CE2 3.54Å; F410-F473 HydrophobicContact CE1-CZ 4.11Å; F410-F473 HydrophobicContact CE2-CD2 4.19Å; F410-F473 HydrophobicContact CG-CD2 4.18Å; F410-F473 AromaticContact CG-CE2 3.85Å; F410-F473 HydrophobicContact CG-CE2 3.85Å; F410-F473 AromaticContact CZ-CD2 3.96Å; F410-F473 HydrophobicContact CZ-CD2 3.96Å; F410-F473 HydrophobicContact CZ-CE2 4.19Å; W420-F473 HydrophobicContact CB-CD1 4.18Å; W420-F473 HydrophobicContact CB-CD2 3.96Å; W420-F473 HydrophobicContact CB-CE1 4.03Å; W420-F473 HydrophobicContact CB-CE2 3.81Å; W420-F473 HydrophobicContact CB-CG 4.14Å; W420-F473 HydrophobicContact CB-CZ 3.85Å; I423-F473 HydrophobicContact CB-CZ 4.17Å; I423-F473 HydrophobicContact CG1-CZ 3.97Å; I423-F473 HydrophobicContact CG2-CE1 4.47Å; I423-F473 HydrophobicContact CG2-CZ 4.45Å; Y457-F473 HydrophobicContact CE2-CB 4.17Å; Y457-F473 AromaticContact CE2-CD1 3.75Å; Y457-F473 HydrophobicContact CE2-CD1 3.75Å; Y457-F473 HydrophobicContact CE2-CE1 4.34Å; Y457-F473 AromaticContact CE2-CG 3.96Å; Y457-F473 HydrophobicContact CE2-CG 3.96Å; L469-F473 WeakPolarHBondContact O-CB 3.49Å; L469-F473 PolarHBondContact O-N 2.87Å; D470-F473 PolarHBondContact O-N 3.49Å; F473-R475 PolarHBondContact O-N 3.3Å; F473-R476 PolarHBondContact O-N 3.35Å; F473-L477 HydrophobicContact CD1-CB 4.38Å; F473-L477 HydrophobicContact CD1-CD2 4.2Å; F473-L477 HydrophobicContact CE1-CD2 4.13Å; F473-L477 VanDerWaalsContact O-CB 3.22Å; F473-L477 WeakPolarHBondContact O-CB 3.4Å; F473-L477 PolarHBondContact O-N 2.99Å
474	M	96.4	Very high	95	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-40.3	-179.7	-68.8	-174.5	-72.4	0	0	112	Y457 L466 D470 R476 L477 S478 I483 P485 L509 I514	Y457-M474 HydrophobicContact CD1-CE 4.46Å; Y457-M474 HydrophobicContact CD1-CG 3.7Å; Y457-M474 HydrophobicContact CD1-SD 3.49Å; Y457-M474 WeakPolarHBondContact CD1-SD 3.39Å; Y457-M474 HydrophobicContact CD2-CG 3.87Å; Y457-M474 HydrophobicContact CE1-CE 4.19Å; Y457-M474 HydrophobicContact CE1-CG 3.66Å; Y457-M474 HydrophobicContact CE1-SD 3.73Å; Y457-M474 HydrophobicContact CE2-CG 3.82Å; Y457-M474 HydrophobicContact CG-CG 3.8Å; Y457-M474 HydrophobicContact CG-SD 4Å; L466-M474 HydrophobicContact CD1-CE 3.88Å; L466-M474 HydrophobicContact CD2-CE 4.03Å; D470-M474 HydrophobicContact CB-CE 4.34Å; D470-M474 WeakPolarHBondContact O-CB 3.47Å; D470-M474 WeakPolarHBondContact O-CE 3.39Å; D470-M474 WeakPolarHBondContact O-CG 3.48Å; D470-M474 PolarHBondContact O-N 2.88Å; M474-R476 VanDerWaalsContact C-N 3.28Å; M474-R476 PolarHBondContact O-N 3.09Å; M474-L477 PolarHBondContact O-N 3.02Å; M474-L477 VanDerWaalsContact O-N 3.16Å; M474-S478 WeakPolarHBondContact O-CB 3.44Å; M474-S478 PolarHBondContact O-N 3.2Å; M474-S478 PolarHBondContact O-OG 2.81Å; M474-I483 HydrophobicContact CB-CD1 4.11Å; M474-I483 HydrophobicContact CG-CD1 4.38Å; M474-I483 WeakPolarHBondContact O-CD1 3.26Å; M474-P485 HydrophobicContact SD-CB 4.5Å; M474-L509 HydrophobicContact CE-CD2 3.89Å; M474-L509 HydrophobicContact SD-CD2 4.1Å; M474-I514 HydrophobicContact CB-CD1 4.25Å; M474-I514 HydrophobicContact CB-CG2 3.73Å
475	R	95.8	Very high	95.4	Very high	90 Å²	90	33.7 Å²	33.7	34%	0.34	17%	0.165	S	C	.	.	H	α-helix	trans	-63.9	-26.4	177	179.8	164.8	54.9	-151.4	-6.1	114.5	V471 E472 F473 N512 I514	V471-R475 WeakPolarHBondContact O-CB 3.41Å; V471-R475 PolarHBondContact O-N 3.26Å; E472-R475 PolarHBondContact O-N 3.24Å; F473-R475 PolarHBondContact O-N 3.3Å; R475-N512 PolarHBondContact NH1-OD1 2.97Å; R475-I514 HydrophobicContact CB-CD1 4.12Å; R475-I514 HydrophobicContact CB-CG1 3.94Å
476	R	94.9	Very high	95.7	Very high	91 Å²	91	30.5 Å²	30.5	34%	0.343	14%	0.144	S	C	.	.	H	α-helix	trans	-82.3	-40	172.1	-70.6	171	177.3	-102	7.3	111	W420 M424 E472 F473 M474	W420-R476 VanDerWaalsContact CE2-CZ 3.49Å; M424-R476 HydrophobicContact CE-CB 4.05Å; M424-R476 HydrophobicContact SD-CB 3.95Å; E472-R476 HydrophobicContact CG-CG 4.5Å; E472-R476 WeakPolarHBondContact O-CG 3.35Å; E472-R476 PolarHBondContact O-N 3.09Å; E472-R476 VanDerWaalsContact O-N 3.09Å; E472-R476 IonicContact OE1-CZ 3.7Å; E472-R476 IonicContact OE1-NE 3.88Å; E472-R476 PolarHBondContact OE1-NE 2.78Å; E472-R476 IonicContact OE1-NH2 2.78Å; E472-R476 PolarHBondContact OE1-NH2 3.4Å; F473-R476 PolarHBondContact O-N 3.35Å; M474-R476 VanDerWaalsContact C-N 3.28Å; M474-R476 PolarHBondContact O-N 3.09Å
477	L	95.9	Very high	95.9	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-77.2	-33	-173	-175.9	69.1	0	0	0	114	I427 C455 Y457 F473 M474 K479 V480 V481 I483	I427-L477 HydrophobicContact CD1-CD1 3.53Å; C455-L477 HydrophobicContact CB-CD2 4.34Å; Y457-L477 HydrophobicContact CD2-CD2 4.18Å; F473-L477 HydrophobicContact CD1-CB 4.38Å; F473-L477 HydrophobicContact CD1-CD2 4.2Å; F473-L477 HydrophobicContact CE1-CD2 4.13Å; F473-L477 VanDerWaalsContact O-CB 3.22Å; F473-L477 WeakPolarHBondContact O-CB 3.4Å; F473-L477 PolarHBondContact O-N 2.99Å; M474-L477 PolarHBondContact O-N 3.02Å; M474-L477 VanDerWaalsContact O-N 3.16Å; L477-K479 PolarHBondContact O-N 3.5Å; L477-K479 VanDerWaalsContact O-N 3.11Å; L477-V480 HydrophobicContact CD1-CG2 4.22Å; L477-V480 VanDerWaalsContact O-CG2 3.28Å; L477-V480 WeakPolarHBondContact O-CG2 3.45Å; L477-V480 PolarHBondContact O-N 2.87Å; L477-V481 HydrophobicContact CD1-CG1 3.55Å; L477-V481 HydrophobicContact CG-CG1 3.73Å; L477-V481 PolarHBondContact O-N 3.49Å; L477-V481 VanDerWaalsContact O-N 3.15Å; L477-I483 HydrophobicContact CB-CD1 3.83Å; L477-I483 HydrophobicContact CD2-CD1 3.88Å; L477-I483 HydrophobicContact CD2-CG1 4.12Å; L477-I483 HydrophobicContact CG-CD1 3.86Å; L477-I483 HydrophobicContact CG-CG1 4.12Å
478	S	95.4	Very high	96	Very high	10 Å²	10	27.2 Å²	27.2	7%	0.07	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-21	-179.3	59.1	0	0	0	0	113.4	M474 V480 D515 H600	M474-S478 WeakPolarHBondContact O-CB 3.44Å; M474-S478 PolarHBondContact O-N 3.2Å; M474-S478 PolarHBondContact O-OG 2.81Å; S478-V480 VanDerWaalsContact C-N 3.31Å; S478-D515 VanDerWaalsContact CB-O 3.26Å; S478-D515 WeakPolarHBondContact CB-O 3.06Å; S478-H600 PolarHBondContact O-CE1 2.93Å
479	K	94	Very high	96	Very high	133 Å²	133	26 Å²	26	58%	0.578	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-0.7	178.4	-53.9	-172.6	-178.9	-169.1	0	114.1	L477 M603	L477-K479 PolarHBondContact O-N 3.5Å; L477-K479 VanDerWaalsContact O-N 3.11Å; K479-M603 WeakPolarHBondContact O-CE 3.33Å
480	V	95.6	Very high	96.1	Very high	18 Å²	18	24.9 Å²	24.9	11%	0.109	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.9	-13.5	-177.7	-62.6	0	0	0	0	114.5	I427 Y431 L477 S478	I427-V480 HydrophobicContact CD1-CG2 4.47Å; I427-V480 HydrophobicContact CG2-CB 4.44Å; I427-V480 HydrophobicContact CG2-CG2 4.39Å; Y431-V480 WeakPolarHBondContact CE2-O 3.41Å; Y431-V480 PolarHBondContact OH-O 3.35Å; L477-V480 HydrophobicContact CD1-CG2 4.22Å; L477-V480 VanDerWaalsContact O-CG2 3.28Å; L477-V480 WeakPolarHBondContact O-CG2 3.45Å; L477-V480 PolarHBondContact O-N 2.87Å; S478-V480 VanDerWaalsContact C-N 3.31Å
481	V	97.4	Very high	96.1	Very high	1 Å²	1	27 Å²	27	1%	0.006	12%	0.122	C	C	.	.	S	Bend	trans	-157.2	151.6	176.8	66.9	0	0	0	0	111.3	I427 I452 C455 L477 I483 H600	I427-V481 HydrophobicContact CD1-CB 4.45Å; I427-V481 HydrophobicContact CD1-CG1 3.99Å; I452-V481 HydrophobicContact CB-CG2 4.43Å; I452-V481 HydrophobicContact CG2-CG2 4.03Å; C455-V481 HydrophobicContact CB-CG1 3.79Å; C455-V481 HydrophobicContact CB-CG2 4.29Å; L477-V481 HydrophobicContact CD1-CG1 3.55Å; L477-V481 HydrophobicContact CG-CG1 3.73Å; L477-V481 PolarHBondContact O-N 3.49Å; L477-V481 VanDerWaalsContact O-N 3.15Å; V481-I483 PolarHBondContact O-N 3.3Å; V481-H600 PolarHBondContact N-ND1 3.39Å
482	N	97.9	Very high	96	Very high	1 Å²	1	30 Å²	30	1%	0.005	14%	0.141	C	C	.	.			trans	-62.1	119.5	171.5	-59.1	-48.7	0	0	0	110.8	H453 C455 Y517 I592 I595 T596 H600	H453-N482 PolarHBondContact O-ND2 3.1Å; C455-N482 PolarHBondContact N-O 3.39Å; N482-Y517 HydrophobicContact CB-CD2 4.28Å; N482-Y517 HydrophobicContact CB-CG 4.35Å; N482-I592 PolarHBondContact ND2-O 2.76Å; N482-I595 WeakPolarHBondContact OD1-CG2 3.35Å; N482-T596 PolarHBondContact ND2-OG1 2.78Å; N482-T596 VanDerWaalsContact ND2-OG1 3.15Å; N482-H600 PolarHBondContact OD1-CD2 2.94Å; N482-H600 PolarHBondContact OD1-NE2 3.12Å
483	I	97.9	Very high	96.1	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.2	176.5	-60	-179.2	0	0	0	110.6	C455 M474 L477 V481 V516 Y517	C455-I483 WeakPolarHBondContact O-CA 3.21Å; M474-I483 HydrophobicContact CB-CD1 4.11Å; M474-I483 HydrophobicContact CG-CD1 4.38Å; M474-I483 WeakPolarHBondContact O-CD1 3.26Å; L477-I483 HydrophobicContact CB-CD1 3.83Å; L477-I483 HydrophobicContact CD2-CD1 3.88Å; L477-I483 HydrophobicContact CD2-CG1 4.12Å; L477-I483 HydrophobicContact CG-CD1 3.86Å; L477-I483 HydrophobicContact CG-CG1 4.12Å; V481-I483 PolarHBondContact O-N 3.3Å; I483-V516 HydrophobicContact CB-CG1 4.45Å; I483-V516 HydrophobicContact CG2-CG1 4.38Å; I483-Y517 WeakPolarHBondContact O-CB 3.36Å; I483-Y517 PolarHBondContact O-N 3.12Å
484	V	98	Very high	96	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	103.8	164.2	177.9	0	0	0	0	108.2	C455 I456 Y457 V486 Y517 F541 L580 L583	C455-V484 PolarHBondContact O-N 2.75Å; I456-V484 WeakPolarHBondContact CA-O 3.39Å; Y457-V484 PolarHBondContact N-O 3.16Å; V484-V486 HydrophobicContact CG1-CG2 4.45Å; V484-Y517 HydrophobicContact CG2-CD1 4.09Å; V484-F541 HydrophobicContact CG1-CD2 3.93Å; V484-F541 HydrophobicContact CG1-CE2 3.9Å; V484-L580 HydrophobicContact CG1-CD1 3.66Å; V484-L583 HydrophobicContact CG1-CD2 4.18Å; V484-L583 HydrophobicContact CG2-CD2 4.2Å
485	P	97.4	Very high	95.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	143.3	-178.4	33.4	-34.1	0	0	0	111.3	Y457 I459 M474 L509 V516 I539 P540 F541	Y457-P485 WeakPolarHBondContact O-CA 3.5Å; I459-P485 HydrophobicContact CD1-CB 3.9Å; M474-P485 HydrophobicContact SD-CB 4.5Å; P485-L509 HydrophobicContact CG-CD1 4.36Å; P485-V516 HydrophobicContact CG-CB 4.36Å; P485-V516 HydrophobicContact CG-CG1 4.1Å; P485-I539 HydrophobicContact CG-CG2 3.7Å; P485-P540 HydrophobicContact CB-CB 4.23Å; P485-P540 HydrophobicContact CG-CB 4.22Å; P485-P540 VanDerWaalsContact O-CA 3.28Å; P485-P540 WeakPolarHBondContact O-CA 3.48Å; P485-P540 VanDerWaalsContact O-CB 3.28Å; P485-P540 WeakPolarHBondContact O-CB 3.4Å; P485-F541 PolarHBondContact O-N 2.8Å
486	V	97.8	Very high	95.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	128	-168.1	168.4	0	0	0	0	109.4	I456 Y457 F458 I459 V484 A488 F541 V543 L580	I456-V486 HydrophobicContact CG2-CB 4.09Å; I456-V486 HydrophobicContact CG2-CG2 3.56Å; Y457-V486 PolarHBondContact O-N 3.15Å; F458-V486 WeakPolarHBondContact CA-O 3.3Å; I459-V486 PolarHBondContact N-O 2.73Å; V484-V486 HydrophobicContact CG1-CG2 4.45Å; V486-A488 PolarHBondContact O-N 3.12Å; V486-F541 CarbonylContact C-O 3.49Å; V486-F541 WeakPolarHBondContact CA-O 3.5Å; V486-F541 HydrophobicContact CG2-CB 4.4Å; V486-V543 HydrophobicContact CG1-CB 4.27Å; V486-V543 HydrophobicContact CG1-CG1 4.02Å; V486-V543 HydrophobicContact CG1-CG2 3.34Å; V486-L580 HydrophobicContact CG2-CD1 4.03Å; V486-L580 HydrophobicContact CG2-CD2 3.85Å
487	I	97.6	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	117.2	169.4	-61.9	162.2	0	0	0	107.6	P461 L493 F501 K502 I505 P540 F541 V543	P461-I487 HydrophobicContact CB-CG2 4.15Å; I487-L493 HydrophobicContact CG2-CD1 4.26Å; I487-F501 HydrophobicContact CD1-CD1 3.75Å; I487-F501 HydrophobicContact CD1-CE1 4.29Å; I487-F501 HydrophobicContact CG1-CD1 4.06Å; I487-F501 HydrophobicContact CG1-CE1 4.08Å; I487-F501 HydrophobicContact CG2-CD1 4.24Å; I487-F501 HydrophobicContact CG2-CE1 4.12Å; I487-K502 HydrophobicContact CD1-CD 4.37Å; I487-K502 HydrophobicContact CD1-CG 3.48Å; I487-K502 VanDerWaalsContact CD1-CG 3.48Å; I487-I505 HydrophobicContact CD1-CD1 4.05Å; I487-I505 HydrophobicContact CG1-CD1 3.92Å; I487-P540 HydrophobicContact CD1-CG 3.85Å; I487-P540 HydrophobicContact CG1-CB 4.3Å; I487-P540 HydrophobicContact CG1-CG 3.89Å; I487-F541 PolarHBondContact N-O 3.15Å; I487-V543 PolarHBondContact O-N 3.15Å; I487-V543 VanDerWaalsContact O-N 3.16Å
488	A	96.1	Very high	95.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-77.2	145.6	179.9	0	0	0	0	0	111.5	L353 F458 I459 P461 V486 A490	L353-A488 HydrophobicContact CB-CB 3.89Å; L353-A488 HydrophobicContact CD1-CB 4.35Å; L353-A488 HydrophobicContact CD2-CB 4.36Å; L353-A488 HydrophobicContact CG-CB 4.44Å; F458-A488 HydrophobicContact CB-CB 4.32Å; F458-A488 HydrophobicContact CD1-CB 3.59Å; F458-A488 HydrophobicContact CE1-CB 4.33Å; F458-A488 HydrophobicContact CG-CB 4.31Å; I459-A488 WeakPolarHBondContact O-CB 3.45Å; I459-A488 PolarHBondContact O-N 2.86Å; P461-A488 WeakPolarHBondContact CB-O 3.46Å; P461-A488 VanDerWaalsContact CD-O 3.29Å; P461-A488 WeakPolarHBondContact CD-O 3.26Å; P461-A488 VanDerWaalsContact CG-O 3.22Å; P461-A488 WeakPolarHBondContact CG-O 3.41Å; V486-A488 PolarHBondContact O-N 3.12Å; A488-A490 PolarHBondContact O-N 2.97Å
489	K	94.6	Very high	95.9	Very high	84 Å²	84	44.6 Å²	44.6	37%	0.365	22%	0.224	S	C	.	.			trans	49.5	54.3	178.1	-55.8	179.1	-173.4	168.8	0	112.7	G352 P461 D491 T492 V543	G352-K489 WeakPolarHBondContact O-CE 3.4Å; G352-K489 PolarHBondContact O-NZ 3.03Å; P461-K489 HydrophobicContact CG-CB 4.45Å; K489-D491 VanDerWaalsContact C-OD1 3.25Å; K489-D491 VanDerWaalsContact CA-OD1 3.27Å; K489-D491 WeakPolarHBondContact CA-OD1 3.41Å; K489-D491 PolarHBondContact O-N 3.18Å; K489-T492 HydrophobicContact CB-CG2 4.17Å; K489-T492 WeakPolarHBondContact O-CB 3.32Å; K489-T492 PolarHBondContact O-N 2.78Å; K489-T492 PolarHBondContact O-OG1 3.45Å; K489-V543 PolarHBondContact N-O 3.4Å
490	A	95.6	Very high	96	Very high	15 Å²	15	44.1 Å²	44.1	12%	0.124	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-57.4	-16.5	178.6	0	0	0	0	0	113.6	A488 T492 L493 A542 V543 V544	A488-A490 PolarHBondContact O-N 2.97Å; A490-T492 PolarHBondContact O-N 3.49Å; A490-L493 PolarHBondContact O-N 3.45Å; A490-A542 HydrophobicContact CB-CB 3.74Å; A490-V543 PolarHBondContact N-O 3.29Å; A490-V544 HydrophobicContact CB-CG2 4.21Å
491	D	93.9	Very high	96.1	Very high	46 Å²	46	43.2 Å²	43.2	25%	0.246	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-65.2	3.8	169.2	61.4	-63.5	0	0	0	115.1	K489 V544 R560 I567	K489-D491 VanDerWaalsContact C-OD1 3.25Å; K489-D491 VanDerWaalsContact CA-OD1 3.27Å; K489-D491 WeakPolarHBondContact CA-OD1 3.41Å; K489-D491 PolarHBondContact O-N 3.18Å; D491-V544 HydrophobicContact CB-CG1 4.36Å; D491-V544 HydrophobicContact CB-CG2 3.85Å; D491-R560 IonicContact OD1-NE 2.79Å; D491-R560 IonicContact OD2-CZ 3.81Å; D491-R560 IonicContact OD2-NE 3.53Å; D491-R560 PolarHBondContact OD2-NE 2.8Å; D491-R560 IonicContact OD2-NH2 3.82Å; D491-R560 PolarHBondContact OD2-NH2 3.13Å; D491-I567 HydrophobicContact CB-CD1 3.48Å; D491-I567 VanDerWaalsContact CB-CD1 3.48Å
492	T	94.5	Very high	96	Very high	75 Å²	75	43.7 Å²	43.7	46%	0.46	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-108.3	-3.1	177.3	58.5	0	0	0	0	114.5	P461 K489 A490	P461-T492 WeakPolarHBondContact CB-OG1 3.33Å; P461-T492 WeakPolarHBondContact CG-OG1 3.25Å; K489-T492 HydrophobicContact CB-CG2 4.17Å; K489-T492 WeakPolarHBondContact O-CB 3.32Å; K489-T492 PolarHBondContact O-N 2.78Å; K489-T492 PolarHBondContact O-OG1 3.45Å; A490-T492 PolarHBondContact O-N 3.49Å
493	L	95	Very high	95.9	Very high	30 Å²	30	49.4 Å²	49.4	16%	0.157	24%	0.243	C	C	.	.	S	Bend	trans	-118.3	151.2	178.1	-59.2	176.5	0	0	0	110.3	P461 I487 A490 E497 R498 F501	P461-L493 HydrophobicContact CB-CD1 4Å; P461-L493 HydrophobicContact CB-CD2 4.27Å; P461-L493 HydrophobicContact CB-CG 4Å; I487-L493 HydrophobicContact CG2-CD1 4.26Å; A490-L493 PolarHBondContact O-N 3.45Å; L493-E497 WeakPolarHBondContact CA-OE2 3.34Å; L493-E497 HydrophobicContact CB-CB 4.11Å; L493-E497 HydrophobicContact CD2-CB 4.41Å; L493-R498 HydrophobicContact CB-CB 4.47Å; L493-F501 HydrophobicContact CD1-CD1 3.93Å
494	T	95.1	Very high	95.8	Very high	63 Å²	63	52.2 Å²	52.2	39%	0.387	26%	0.256	S	S	.	.			trans	-70.8	172.1	164.5	82.8	0	0	0	0	111.3	E496 E497 R498	T494-E496 VanDerWaalsContact C-N 3.35Å; T494-E496 WeakPolarHBondContact CB-OE2 3.47Å; T494-E496 PolarHBondContact OG1-N 3.13Å; T494-E496 PolarHBondContact OG1-OE2 3.08Å; T494-E497 HydrophobicContact CG2-CG 4.39Å; T494-E497 PolarHBondContact N-OE2 3.15Å; T494-E497 WeakPolarHBondContact OG1-CG 3.34Å; T494-E497 PolarHBondContact OG1-N 3.24Å; T494-E497 VanDerWaalsContact OG1-N 3.15Å; T494-R498 WeakPolarHBondContact O-CB 3.33Å; T494-R498 PolarHBondContact O-N 2.86Å
495	L	94.1	Very high	95.7	Very high	108 Å²	108	52.2 Å²	52.2	57%	0.565	26%	0.256	S	S	*	.	H	α-helix	trans	-66	-38.9	176.6	-62.9	177	0	0	0	111.5	D499	L495-D499 WeakPolarHBondContact O-CB 3.42Å; L495-D499 VanDerWaalsContact O-CG 3.29Å; L495-D499 PolarHBondContact O-N 2.84Å
496	E	95.3	Very high	95.6	Very high	139 Å²	139	56.1 Å²	56.1	65%	0.65	27%	0.27	S	S	*	.	H	α-helix	trans	-67	-46.2	176.5	-51.2	82.4	177.4	0	0	111.4	T494 D499 F500	T494-E496 VanDerWaalsContact C-N 3.35Å; T494-E496 WeakPolarHBondContact CB-OE2 3.47Å; T494-E496 PolarHBondContact OG1-N 3.13Å; T494-E496 PolarHBondContact OG1-OE2 3.08Å; E496-D499 PolarHBondContact O-N 3.33Å; E496-F500 WeakPolarHBondContact O-CB 3.43Å; E496-F500 PolarHBondContact O-N 2.81Å
497	E	96.3	Very high	95.5	Very high	92 Å²	92	59.4 Å²	59.4	43%	0.43	29%	0.286	S	S	.	.	H	α-helix	trans	-61.5	-44.5	176.5	-71.1	176.7	155.1	0	0	111.7	L493 T494 D499 F501	L493-E497 WeakPolarHBondContact CA-OE2 3.34Å; L493-E497 HydrophobicContact CB-CB 4.11Å; L493-E497 HydrophobicContact CD2-CB 4.41Å; T494-E497 HydrophobicContact CG2-CG 4.39Å; T494-E497 PolarHBondContact N-OE2 3.15Å; T494-E497 WeakPolarHBondContact OG1-CG 3.34Å; T494-E497 PolarHBondContact OG1-N 3.24Å; T494-E497 VanDerWaalsContact OG1-N 3.15Å; E497-D499 PolarHBondContact O-N 3.14Å; E497-F501 WeakPolarHBondContact O-CB 3.31Å; E497-F501 PolarHBondContact O-N 2.91Å
498	R	95.4	Very high	95.4	Very high	53 Å²	53	61 Å²	61	20%	0.2	29%	0.293	C	S	.	.	H	α-helix	trans	-56.7	-49.6	174.7	-179.6	-159.7	71.5	-171.9	-2.8	110.8	L493 T494 F501 K502 A542	L493-R498 HydrophobicContact CB-CB 4.47Å; T494-R498 WeakPolarHBondContact O-CB 3.33Å; T494-R498 PolarHBondContact O-N 2.86Å; R498-F501 PolarHBondContact O-N 2.71Å; R498-K502 HydrophobicContact CG-CD 4.06Å; R498-K502 HydrophobicContact CG-CG 4.49Å; R498-K502 WeakPolarHBondContact O-CB 3.41Å; R498-K502 VanDerWaalsContact O-CG 3.27Å; R498-K502 WeakPolarHBondContact O-CG 3.22Å; R498-K502 PolarHBondContact O-N 2.68Å; R498-A542 HydrophobicContact CG-CB 3.78Å
499	D	94.6	Very high	95.4	Very high	76 Å²	76	61.4 Å²	61.4	41%	0.406	30%	0.295	S	S	.	.	H	α-helix	trans	-74.4	-34.3	-173.3	-69.1	-12	0	0	0	112.3	L495 E496 E497 K503	L495-D499 WeakPolarHBondContact O-CB 3.42Å; L495-D499 VanDerWaalsContact O-CG 3.29Å; L495-D499 PolarHBondContact O-N 2.84Å; E496-D499 PolarHBondContact O-N 3.33Å; E497-D499 PolarHBondContact O-N 3.14Å; D499-K503 PolarHBondContact O-N 2.85Å
500	F	95.9	Very high	95.4	Very high	123 Å²	123	66.7 Å²	66.7	54%	0.539	31%	0.313	S	S	.	.	H	α-helix	trans	-59.9	-49.5	166.7	178.5	-97.2	0	0	0	111.6	E496 K503 K504	E496-F500 WeakPolarHBondContact O-CB 3.43Å; E496-F500 PolarHBondContact O-N 2.81Å; F500-K503 WeakPolarHBondContact O-CB 3.47Å; F500-K503 PolarHBondContact O-N 2.87Å; F500-K503 VanDerWaalsContact O-N 3.15Å; F500-K504 PolarHBondContact O-N 3.37Å
501	F	96.7	Very high	95.4	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-65	-41.8	-179.1	-169.2	-138.8	0	0	0	111.9	I459 P460 T462 H464 I487 L493 E497 R498 K503 K504 I505	I459-F501 HydrophobicContact CG2-CE1 4.27Å; I459-F501 HydrophobicContact CG2-CZ 3.96Å; P460-F501 WeakPolarHBondContact O-CE1 3.35Å; P460-F501 VanDerWaalsContact O-CZ 3.31Å; P460-F501 WeakPolarHBondContact O-CZ 3.33Å; T462-F501 VanDerWaalsContact OG1-CE2 3.26Å; T462-F501 WeakPolarHBondContact OG1-CE2 3.48Å; T462-F501 VanDerWaalsContact OG1-CZ 3.25Å; T462-F501 WeakPolarHBondContact OG1-CZ 3.47Å; H464-F501 VanDerWaalsContact O-CD2 3.25Å; H464-F501 WeakPolarHBondContact O-CD2 3.41Å; H464-F501 WeakPolarHBondContact O-CE2 3.09Å; I487-F501 HydrophobicContact CD1-CD1 3.75Å; I487-F501 HydrophobicContact CD1-CE1 4.29Å; I487-F501 HydrophobicContact CG1-CD1 4.06Å; I487-F501 HydrophobicContact CG1-CE1 4.08Å; I487-F501 HydrophobicContact CG2-CD1 4.24Å; I487-F501 HydrophobicContact CG2-CE1 4.12Å; L493-F501 HydrophobicContact CD1-CD1 3.93Å; E497-F501 WeakPolarHBondContact O-CB 3.31Å; E497-F501 PolarHBondContact O-N 2.91Å; R498-F501 PolarHBondContact O-N 2.71Å; F501-K503 VanDerWaalsContact C-N 3.3Å; F501-K503 PolarHBondContact O-N 2.84Å; F501-K504 PolarHBondContact O-N 3.17Å; F501-I505 HydrophobicContact CD1-CD1 3.86Å; F501-I505 HydrophobicContact CD2-CD1 4.01Å; F501-I505 HydrophobicContact CD2-CG1 4.2Å; F501-I505 HydrophobicContact CE1-CD1 3.74Å; F501-I505 HydrophobicContact CE2-CD1 3.9Å; F501-I505 HydrophobicContact CE2-CG1 4.08Å; F501-I505 HydrophobicContact CG-CD1 3.99Å; F501-I505 HydrophobicContact CZ-CD1 3.77Å; F501-I505 HydrophobicContact CZ-CG1 4.37Å; F501-I505 VanDerWaalsContact O-CG1 3.3Å; F501-I505 WeakPolarHBondContact O-CG1 3.22Å; F501-I505 PolarHBondContact O-N 3.17Å
502	K	96.1	Very high	95.5	Very high	11 Å²	11	70.5 Å²	70.5	5%	0.048	34%	0.343	C	S	.	.	H	α-helix	trans	-61	-34.4	172.3	-74.8	-178.8	64.1	156.1	0	112.9	I487 R498 R506 M538 P540 A542 E576	I487-K502 HydrophobicContact CD1-CD 4.37Å; I487-K502 HydrophobicContact CD1-CG 3.48Å; I487-K502 VanDerWaalsContact CD1-CG 3.48Å; R498-K502 HydrophobicContact CG-CD 4.06Å; R498-K502 HydrophobicContact CG-CG 4.49Å; R498-K502 WeakPolarHBondContact O-CB 3.41Å; R498-K502 VanDerWaalsContact O-CG 3.27Å; R498-K502 WeakPolarHBondContact O-CG 3.22Å; R498-K502 PolarHBondContact O-N 2.68Å; K502-R506 WeakPolarHBondContact O-CG 3.13Å; K502-R506 PolarHBondContact O-N 3.25Å; K502-R506 PolarHBondContact O-NE 2.7Å; K502-M538 WeakPolarHBondContact CE-O 3.4Å; K502-M538 PolarHBondContact NZ-O 3.43Å; K502-P540 WeakPolarHBondContact CE-O 3.3Å; K502-P540 HydrophobicContact CG-CG 4.23Å; K502-P540 PolarHBondContact NZ-O 3.46Å; K502-A542 HydrophobicContact CD-CB 4.49Å; K502-E576 IonicContact NZ-OE1 2.82Å; K502-E576 PolarHBondContact NZ-OE1 3.18Å; K502-E576 IonicContact NZ-OE2 2.67Å; K502-E576 PolarHBondContact NZ-OE2 2.84Å
503	K	95.1	Very high	95.5	Very high	120 Å²	120	69.2 Å²	69.2	52%	0.522	34%	0.344	S	S	.	.	H	α-helix	trans	-68.3	-49.3	171.3	-171.5	-171.2	177.9	-164.1	0	110.8	D499 F500 F501 I505 R506 E507	D499-K503 PolarHBondContact O-N 2.85Å; F500-K503 WeakPolarHBondContact O-CB 3.47Å; F500-K503 PolarHBondContact O-N 2.87Å; F500-K503 VanDerWaalsContact O-N 3.15Å; F501-K503 VanDerWaalsContact C-N 3.3Å; F501-K503 PolarHBondContact O-N 2.84Å; K503-I505 PolarHBondContact O-N 2.81Å; K503-R506 PolarHBondContact O-N 2.85Å; K503-R506 VanDerWaalsContact O-N 3.17Å; K503-E507 WeakPolarHBondContact CE-OE1 3.32Å; K503-E507 IonicContact NZ-OE1 3.82Å; K503-E507 PolarHBondContact O-N 3.15Å
504	K	95.8	Very high	95.5	Very high	62 Å²	62	68.1 Å²	68.1	27%	0.27	34%	0.338	S	S	.	.	H	α-helix	trans	-60.6	-43.3	-177.3	-164	67.9	-132.9	161.1	0	112.7	H464 F500 F501 R506 E507 E508	H464-K504 WeakPolarHBondContact O-CG 3.35Å; F500-K504 PolarHBondContact O-N 3.37Å; F501-K504 PolarHBondContact O-N 3.17Å; K504-R506 PolarHBondContact O-N 3.09Å; K504-E507 IonicContact NZ-OE2 2.72Å; K504-E507 PolarHBondContact NZ-OE2 2.85Å; K504-E507 WeakPolarHBondContact O-CB 3.15Å; K504-E507 PolarHBondContact O-N 3.04Å; K504-E508 WeakPolarHBondContact CE-OE1 3.36Å; K504-E508 WeakPolarHBondContact O-CG 3.47Å; K504-E508 PolarHBondContact O-N 2.83Å
505	I	96.8	Very high	95.5	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.5	-44.2	175.2	-67.8	163.3	0	0	0	111.4	I459 L466 I487 F501 K503 E507 E508 L509 P540	I459-I505 HydrophobicContact CD1-CD1 4.13Å; I459-I505 HydrophobicContact CD1-CG2 3.99Å; I459-I505 HydrophobicContact CG2-CD1 4.13Å; L466-I505 HydrophobicContact CD1-CG2 4.31Å; L466-I505 HydrophobicContact CD2-CG1 3.91Å; L466-I505 HydrophobicContact CD2-CG2 4.08Å; L466-I505 HydrophobicContact CG-CG1 4.15Å; L466-I505 HydrophobicContact CG-CG2 4.35Å; I487-I505 HydrophobicContact CD1-CD1 4.05Å; I487-I505 HydrophobicContact CG1-CD1 3.92Å; F501-I505 HydrophobicContact CD1-CD1 3.86Å; F501-I505 HydrophobicContact CD2-CD1 4.01Å; F501-I505 HydrophobicContact CD2-CG1 4.2Å; F501-I505 HydrophobicContact CE1-CD1 3.74Å; F501-I505 HydrophobicContact CE2-CD1 3.9Å; F501-I505 HydrophobicContact CE2-CG1 4.08Å; F501-I505 HydrophobicContact CG-CD1 3.99Å; F501-I505 HydrophobicContact CZ-CD1 3.77Å; F501-I505 HydrophobicContact CZ-CG1 4.37Å; F501-I505 VanDerWaalsContact O-CG1 3.3Å; F501-I505 WeakPolarHBondContact O-CG1 3.22Å; F501-I505 PolarHBondContact O-N 3.17Å; K503-I505 PolarHBondContact O-N 2.81Å; I505-E507 VanDerWaalsContact C-N 3.34Å; I505-E507 PolarHBondContact O-N 3.35Å; I505-E508 PolarHBondContact O-N 3.44Å; I505-L509 HydrophobicContact CG2-CD1 3.77Å; I505-L509 HydrophobicContact CG2-CG 4.12Å; I505-L509 WeakPolarHBondContact O-CB 3.43Å; I505-L509 VanDerWaalsContact O-CG 3.29Å; I505-L509 WeakPolarHBondContact O-CG 3.17Å; I505-L509 PolarHBondContact O-N 3.41Å; I505-P540 HydrophobicContact CB-CG 4.16Å; I505-P540 HydrophobicContact CD1-CG 3.8Å; I505-P540 HydrophobicContact CG2-CG 3.86Å
506	R	95.5	Very high	95.6	Very high	81 Å²	81	65.2 Å²	65.2	31%	0.306	32%	0.322	S	S	.	.	H	α-helix	trans	-64.8	-35.2	177.8	-77.2	179.9	-71.4	170.9	-0.3	113.1	K502 K503 K504 R510 E537 I539	K502-R506 WeakPolarHBondContact O-CG 3.13Å; K502-R506 PolarHBondContact O-N 3.25Å; K502-R506 PolarHBondContact O-NE 2.7Å; K503-R506 PolarHBondContact O-N 2.85Å; K503-R506 VanDerWaalsContact O-N 3.17Å; K504-R506 PolarHBondContact O-N 3.09Å; R506-R510 WeakPolarHBondContact O-CB 3.41Å; R506-R510 PolarHBondContact O-N 3.14Å; R506-E537 PolarHBondContact NH1-O 3.19Å; R506-E537 VanDerWaalsContact NH1-O 3.11Å; R506-I539 WeakPolarHBondContact CD-O 3.21Å; R506-I539 VanDerWaalsContact CG-O 3.29Å; R506-I539 WeakPolarHBondContact CG-O 3.24Å
507	E	95.1	Very high	95.6	Very high	69 Å²	69	58.6 Å²	58.6	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-63.7	-45.2	172.2	-68.8	171	-174.4	0	0	111.1	K503 K504 I505 R510 A511	K503-E507 WeakPolarHBondContact CE-OE1 3.32Å; K503-E507 IonicContact NZ-OE1 3.82Å; K503-E507 PolarHBondContact O-N 3.15Å; K504-E507 IonicContact NZ-OE2 2.72Å; K504-E507 PolarHBondContact NZ-OE2 2.85Å; K504-E507 WeakPolarHBondContact O-CB 3.15Å; K504-E507 PolarHBondContact O-N 3.04Å; I505-E507 VanDerWaalsContact C-N 3.34Å; I505-E507 PolarHBondContact O-N 3.35Å; E507-R510 PolarHBondContact O-N 2.94Å; E507-A511 WeakPolarHBondContact O-CB 3.42Å; E507-A511 PolarHBondContact O-N 3.25Å
508	E	96.1	Very high	95.6	Very high	35 Å²	35	54.4 Å²	54.4	16%	0.164	27%	0.272	C	S	.	.	H	α-helix	trans	-76.8	-34.5	-174.3	-72.1	170.8	-175.3	0	0	113.9	C465 L466 K504 I505 R510 A511 N512	C465-E508 WeakPolarHBondContact CA-OE2 3.47Å; C465-E508 WeakPolarHBondContact CB-OE1 3.29Å; C465-E508 WeakPolarHBondContact CB-OE2 3.44Å; L466-E508 WeakPolarHBondContact CB-OE2 3.39Å; L466-E508 HydrophobicContact CD1-CB 3.99Å; L466-E508 HydrophobicContact CG-CB 4.48Å; L466-E508 PolarHBondContact N-OE2 3.44Å; K504-E508 WeakPolarHBondContact CE-OE1 3.36Å; K504-E508 WeakPolarHBondContact O-CG 3.47Å; K504-E508 PolarHBondContact O-N 2.83Å; I505-E508 PolarHBondContact O-N 3.44Å; E508-R510 VanDerWaalsContact C-N 3.34Å; E508-A511 PolarHBondContact O-N 3.37Å; E508-N512 WeakPolarHBondContact O-CB 3.28Å; E508-N512 PolarHBondContact O-N 3.38Å; E508-N512 VanDerWaalsContact O-N 3.1Å; E508-N512 PolarHBondContact O-ND2 3.19Å
509	L	95.6	Very high	95.5	Very high	7 Å²	7	52.8 Å²	52.8	4%	0.037	27%	0.267	C	S	.	.	H	α-helix	trans	-58.7	-47.3	169.6	-72.1	170.8	0	0	0	110.6	L466 M474 P485 I505 N512 G513 I514 V516	L466-L509 HydrophobicContact CD1-CD2 4.17Å; L466-L509 HydrophobicContact CD1-CG 4.22Å; M474-L509 HydrophobicContact CE-CD2 3.89Å; M474-L509 HydrophobicContact SD-CD2 4.1Å; P485-L509 HydrophobicContact CG-CD1 4.36Å; I505-L509 HydrophobicContact CG2-CD1 3.77Å; I505-L509 HydrophobicContact CG2-CG 4.12Å; I505-L509 WeakPolarHBondContact O-CB 3.43Å; I505-L509 VanDerWaalsContact O-CG 3.29Å; I505-L509 WeakPolarHBondContact O-CG 3.17Å; I505-L509 PolarHBondContact O-N 3.41Å; L509-N512 PolarHBondContact O-N 3.46Å; L509-G513 PolarHBondContact O-N 3.5Å; L509-I514 HydrophobicContact CB-CB 4.46Å; L509-I514 HydrophobicContact CD2-CB 3.83Å; L509-I514 HydrophobicContact CD2-CD1 4.2Å; L509-I514 HydrophobicContact CD2-CG2 3.65Å; L509-I514 PolarHBondContact O-N 3.3Å; L509-V516 HydrophobicContact CD1-CG1 4.27Å; L509-V516 HydrophobicContact CD1-CG2 4.47Å; L509-V516 HydrophobicContact CD2-CG1 4.28Å
510	R	94.2	Very high	95.4	Very high	196 Å²	196	54.1 Å²	54.1	74%	0.74	27%	0.269	S	S	*	.	H	α-helix	trans	-64.3	-45.5	177.2	-170.6	-174	-59.2	149.1	3.6	112	R506 E507 E508 N512 G513	R506-R510 WeakPolarHBondContact O-CB 3.41Å; R506-R510 PolarHBondContact O-N 3.14Å; E507-R510 PolarHBondContact O-N 2.94Å; E508-R510 VanDerWaalsContact C-N 3.34Å; R510-N512 PolarHBondContact O-N 3.29Å; R510-G513 PolarHBondContact O-N 2.63Å
511	A	96.1	Very high	95.1	Very high	85 Å²	85	54.5 Å²	54.5	70%	0.702	27%	0.272	S	S	*	.	H	α-helix	trans	-64.3	-24.2	-179.4	0	0	0	0	0	113.6	E507 E508	E507-A511 WeakPolarHBondContact O-CB 3.42Å; E507-A511 PolarHBondContact O-N 3.25Å; E508-A511 PolarHBondContact O-N 3.37Å
512	N	95.8	Very high	94.9	Very high	56 Å²	56	57.1 Å²	57.1	30%	0.299	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	0.3	179.2	-76.9	-84.6	0	0	0	114.7	V471 R475 E508 L509 R510 I514	V471-N512 HydrophobicContact CG1-CB 3.85Å; V471-N512 VanDerWaalsContact CG1-OD1 3.25Å; V471-N512 WeakPolarHBondContact CG1-OD1 3.46Å; R475-N512 PolarHBondContact NH1-OD1 2.97Å; E508-N512 WeakPolarHBondContact O-CB 3.28Å; E508-N512 PolarHBondContact O-N 3.38Å; E508-N512 VanDerWaalsContact O-N 3.1Å; E508-N512 PolarHBondContact O-ND2 3.19Å; L509-N512 PolarHBondContact O-N 3.46Å; R510-N512 PolarHBondContact O-N 3.29Å; N512-I514 HydrophobicContact CB-CD1 3.8Å; N512-I514 HydrophobicContact CB-CG1 3.83Å
513	G	94.7	Very high	94.6	Very high	47 Å²	47	57.3 Å²	57.3	49%	0.485	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	48	-174.9	0	0	0	0	0	112.4	L509 R510	L509-G513 PolarHBondContact O-N 3.5Å; R510-G513 PolarHBondContact O-N 2.63Å
514	I	96.4	Very high	94.4	Very high	7 Å²	7	59.3 Å²	59.3	4%	0.036	30%	0.296	C	S	.	.			trans	-106.6	96.3	179.7	-55.6	178.3	0	0	0	109	V471 M474 R475 L509 N512 V516	V471-I514 HydrophobicContact CB-CD1 4.44Å; V471-I514 HydrophobicContact CG1-CD1 3.93Å; V471-I514 VanDerWaalsContact O-CD1 3.32Å; V471-I514 WeakPolarHBondContact O-CD1 3.13Å; M474-I514 HydrophobicContact CB-CD1 4.25Å; M474-I514 HydrophobicContact CB-CG2 3.73Å; R475-I514 HydrophobicContact CB-CD1 4.12Å; R475-I514 HydrophobicContact CB-CG1 3.94Å; L509-I514 HydrophobicContact CB-CB 4.46Å; L509-I514 HydrophobicContact CD2-CB 3.83Å; L509-I514 HydrophobicContact CD2-CD1 4.2Å; L509-I514 HydrophobicContact CD2-CG2 3.65Å; L509-I514 PolarHBondContact O-N 3.3Å; N512-I514 HydrophobicContact CB-CD1 3.8Å; N512-I514 HydrophobicContact CB-CG1 3.83Å; I514-V516 HydrophobicContact CG2-CG1 4.29Å
515	D	93.6	Very high	94.2	Very high	84 Å²	84	60.3 Å²	60.3	45%	0.449	31%	0.305	S	S	.	.			trans	-72.1	130.9	176.9	-48.5	-51.1	0	0	0	110.2	S478 Q519	S478-D515 VanDerWaalsContact CB-O 3.26Å; S478-D515 WeakPolarHBondContact CB-O 3.06Å; D515-Q519 HydrophobicContact CB-CG 4.24Å
516	V	96.1	Very high	94.1	Very high	27 Å²	27	65.1 Å²	65.1	16%	0.164	34%	0.335	C	S	.	.			trans	-128.9	150.2	-178.4	-64.3	0	0	0	0	109.8	I483 P485 L509 I514 P518 Q519 I539	I483-V516 HydrophobicContact CB-CG1 4.45Å; I483-V516 HydrophobicContact CG2-CG1 4.38Å; P485-V516 HydrophobicContact CG-CB 4.36Å; P485-V516 HydrophobicContact CG-CG1 4.1Å; L509-V516 HydrophobicContact CD1-CG1 4.27Å; L509-V516 HydrophobicContact CD1-CG2 4.47Å; L509-V516 HydrophobicContact CD2-CG1 4.28Å; I514-V516 HydrophobicContact CG2-CG1 4.29Å; V516-P518 CarbonylContact O-C 3.29Å; V516-P518 VanDerWaalsContact O-C 3.29Å; V516-Q519 WeakPolarHBondContact O-CG 3.31Å; V516-I539 HydrophobicContact CG2-CG2 4.25Å
517	Y	96.7	Very high	93.9	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.352	C	S	.	.	S	Bend	trans	-75.8	133.7	-175.5	-178.5	-90.1	0	0	0	111.7	N482 I483 V484 I539 L583 H588 N591 I592 I595	N482-Y517 HydrophobicContact CB-CD2 4.28Å; N482-Y517 HydrophobicContact CB-CG 4.35Å; I483-Y517 WeakPolarHBondContact O-CB 3.36Å; I483-Y517 PolarHBondContact O-N 3.12Å; V484-Y517 HydrophobicContact CG2-CD1 4.09Å; Y517-I539 WeakPolarHBondContact O-CD1 3.44Å; Y517-L583 HydrophobicContact CE1-CD1 4.39Å; Y517-H588 HydrophobicContact CE1-CB 4.12Å; Y517-H588 WeakPolarHBondContact OH-CB 3.43Å; Y517-H588 PolarHBondContact OH-CD2 3.46Å; Y517-N591 WeakPolarHBondContact CE2-OD1 3.16Å; Y517-N591 PolarHBondContact OH-OD1 3.44Å; Y517-I592 HydrophobicContact CD1-CD1 4.23Å; Y517-I592 HydrophobicContact CD1-CG1 4.01Å; Y517-I592 HydrophobicContact CD2-CG1 4.32Å; Y517-I592 HydrophobicContact CE1-CD1 3.76Å; Y517-I592 HydrophobicContact CE1-CG1 3.43Å; Y517-I592 VanDerWaalsContact CE1-CG1 3.43Å; Y517-I592 HydrophobicContact CE2-CG1 3.81Å; Y517-I592 HydrophobicContact CG-CG1 4.43Å; Y517-I595 HydrophobicContact CD2-CD1 4.4Å; Y517-I595 HydrophobicContact CE2-CD1 3.8Å
518	P	95.8	Very high	93.7	Very high	4 Å²	4	67.2 Å²	67.2	3%	0.026	35%	0.349	C	S	.	.	S	Bend	cis	-80.5	136.7	-1.2	-10.6	27.4	0	0	0	113.2	V516 N532 I535 R536	V516-P518 CarbonylContact O-C 3.29Å; V516-P518 VanDerWaalsContact O-C 3.29Å; P518-N532 HydrophobicContact CB-CB 4.02Å; P518-N532 WeakPolarHBondContact CB-OD1 3.22Å; P518-N532 HydrophobicContact CG-CB 4.22Å; P518-N532 WeakPolarHBondContact CG-OD1 3.5Å; P518-I535 HydrophobicContact CG-CB 4.35Å; P518-I535 HydrophobicContact CG-CG2 3.89Å; P518-R536 PolarHBondContact O-NE 3.3Å; P518-R536 PolarHBondContact O-NH2 2.71Å
519	Q	93.4	Very high	93.6	Very high	19 Å²	19	70.8 Å²	70.8	9%	0.089	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-85.8	139.5	-176.8	-66.2	161.1	-97.3	0	0	110.7	D515 V516 E521 F522 R536	D515-Q519 HydrophobicContact CB-CG 4.24Å; V516-Q519 WeakPolarHBondContact O-CG 3.31Å; Q519-E521 PolarHBondContact O-N 3.3Å; Q519-F522 HydrophobicContact CB-CD2 3.73Å; Q519-F522 HydrophobicContact CB-CE2 3.93Å; Q519-F522 HydrophobicContact CB-CG 4.45Å; Q519-F522 HydrophobicContact CG-CD2 4.45Å; Q519-F522 HydrophobicContact CG-CE2 4.34Å; Q519-F522 PolarHBondContact O-N 3.4Å; Q519-R536 PolarHBondContact O-NH2 2.96Å
520	K	91.8	Very high	93.5	Very high	103 Å²	103	76.1 Å²	76.1	45%	0.448	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-68.5	-20.9	-171.6	-82.3	-179.2	172.3	-87.2	0	113	F522 E533	K520-F522 VanDerWaalsContact C-N 3.26Å; K520-F522 PolarHBondContact O-N 3.31Å; K520-E533 IonicContact NZ-OE1 3.41Å; K520-E533 PolarHBondContact NZ-OE1 2.92Å
521	E	91	Very high	93.4	Very high	131 Å²	131	70.4 Å²	70.4	61%	0.612	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-76.2	-16.7	-178.2	-58.6	62.7	-133.4	0	0	111.5	Q519	Q519-E521 PolarHBondContact O-N 3.3Å
522	F	90.5	Very high	93.3	Very high	56 Å²	56	66.5 Å²	66.5	25%	0.246	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-117.2	20.7	-176.9	-46.2	-34.7	0	0	0	112.7	Q519 K520 E524 I595 I599	Q519-F522 HydrophobicContact CB-CD2 3.73Å; Q519-F522 HydrophobicContact CB-CE2 3.93Å; Q519-F522 HydrophobicContact CB-CG 4.45Å; Q519-F522 HydrophobicContact CG-CD2 4.45Å; Q519-F522 HydrophobicContact CG-CE2 4.34Å; Q519-F522 PolarHBondContact O-N 3.4Å; K520-F522 VanDerWaalsContact C-N 3.26Å; K520-F522 PolarHBondContact O-N 3.31Å; F522-E524 PolarHBondContact O-N 2.85Å; F522-I595 HydrophobicContact CB-CD1 4.01Å; F522-I595 HydrophobicContact CB-CG1 4.37Å; F522-I595 HydrophobicContact CD2-CD1 3.84Å; F522-I595 HydrophobicContact CD2-CG1 3.99Å; F522-I595 HydrophobicContact CD2-CG2 3.97Å; F522-I595 HydrophobicContact CE2-CG2 3.96Å; F522-I595 HydrophobicContact CG-CD1 4.31Å; F522-I595 HydrophobicContact CG-CG1 4.37Å; F522-I599 HydrophobicContact CD1-CD1 3.74Å; F522-I599 HydrophobicContact CD2-CD1 3.99Å; F522-I599 HydrophobicContact CE1-CD1 3.57Å; F522-I599 HydrophobicContact CE1-CG1 4.31Å; F522-I599 HydrophobicContact CE2-CD1 3.8Å; F522-I599 HydrophobicContact CE2-CG2 4.45Å; F522-I599 HydrophobicContact CG-CD1 4Å; F522-I599 HydrophobicContact CZ-CD1 3.62Å; F522-I599 HydrophobicContact CZ-CG1 4.27Å; F522-I599 HydrophobicContact CZ-CG2 3.99Å
523	D	91.8	Very high	93.3	Very high	14 Å²	14	67.7 Å²	67.7	8%	0.075	34%	0.342	C	S	.	.			trans	-74.3	112.3	165.5	-70.3	-26.9	0	0	0	108.9	R529 N532 R536	D523-R529 HydrophobicContact CB-CB 4.03Å; D523-R529 WeakPolarHBondContact OD2-CG 3.42Å; D523-R529 IonicContact OD2-CZ 3.57Å; D523-R529 IonicContact OD2-NE 3.72Å; D523-R529 PolarHBondContact OD2-NE 3.1Å; D523-R529 IonicContact OD2-NH2 3.15Å; D523-N532 WeakPolarHBondContact OD1-CB 3.31Å; D523-N532 PolarHBondContact OD1-ND2 3.43Å; D523-R536 IonicContact OD1-CZ 2.9Å; D523-R536 IonicContact OD1-NH1 3.19Å; D523-R536 PolarHBondContact OD1-NH1 2.97Å; D523-R536 VanDerWaalsContact OD1-NH1 3.09Å; D523-R536 IonicContact OD1-NH2 2.67Å; D523-R536 PolarHBondContact OD1-NH2 3.29Å; D523-R536 IonicContact OD2-CZ 3.21Å; D523-R536 IonicContact OD2-NH1 2.84Å; D523-R536 PolarHBondContact OD2-NH1 3.15Å; D523-R536 IonicContact OD2-NH2 2.71Å; D523-R536 PolarHBondContact OD2-NH2 3.43Å
524	E	89.3	Confident	93.2	Very high	162 Å²	162	71.2 Å²	71.2	76%	0.757	34%	0.344	S	S	*	.			trans	-69.8	-43	-177.1	-64.5	-172.4	-152.4	0	0	112.4	F522	F522-E524 PolarHBondContact O-N 2.85Å
525	D	93	Very high	93.1	Very high	83 Å²	83	71.5 Å²	71.5	44%	0.444	35%	0.345	S	S	.	.	S	Bend	trans	-138.3	-168.9	178.5	76.9	25.1	0	0	0	114	E527 D528 R529	D525-E527 WeakPolarHBondContact OD1-CA 3.44Å; D525-E527 PolarHBondContact OD1-N 3.25Å; D525-D528 PolarHBondContact OD1-N 3.32Å; D525-R529 VanDerWaalsContact O-CB 3.3Å; D525-R529 WeakPolarHBondContact O-CB 3.4Å; D525-R529 PolarHBondContact O-N 2.98Å; D525-R529 VanDerWaalsContact O-N 3.15Å
526	T	93.1	Very high	93.1	Very high	102 Å²	102	69.2 Å²	69.2	63%	0.626	33%	0.33	S	S	*	.	H	α-helix	trans	-75.8	-30.2	179.9	46.1	0	0	0	0	114.6	M530	T526-M530 VanDerWaalsContact O-CG 3.31Å; T526-M530 WeakPolarHBondContact O-CG 3.47Å; T526-M530 PolarHBondContact O-N 2.92Å
527	E	92.7	Very high	93	Very high	142 Å²	142	73.7 Å²	73.7	66%	0.664	35%	0.349	S	S	*	.	H	α-helix	trans	-76	-45.5	178.1	-60.6	-162.9	177.8	0	0	110.1	D525 R529 M530 I531	D525-E527 WeakPolarHBondContact OD1-CA 3.44Å; D525-E527 PolarHBondContact OD1-N 3.25Å; E527-R529 VanDerWaalsContact C-N 3.32Å; E527-R529 PolarHBondContact O-N 3.35Å; E527-M530 CarbonylContact O-C 3.58Å; E527-M530 WeakPolarHBondContact O-CB 3.5Å; E527-M530 PolarHBondContact O-N 3.08Å; E527-I531 WeakPolarHBondContact O-CG1 3.3Å; E527-I531 PolarHBondContact O-N 3Å
528	D	91.1	Very high	92.8	Very high	51 Å²	51	76.1 Å²	76.1	27%	0.273	36%	0.361	S	S	.	.	H	α-helix	trans	-57.1	-44.6	172.1	-99.7	8.3	0	0	0	111.3	D525 M530 I531 N532	D525-D528 PolarHBondContact OD1-N 3.32Å; D528-M530 VanDerWaalsContact C-N 3.31Å; D528-M530 PolarHBondContact O-N 3.41Å; D528-I531 PolarHBondContact O-N 3.12Å; D528-I531 VanDerWaalsContact O-N 3.14Å; D528-N532 WeakPolarHBondContact O-CB 3.49Å; D528-N532 PolarHBondContact O-N 2.93Å; D528-N532 PolarHBondContact O-ND2 2.92Å
529	R	94	Very high	92.7	Very high	110 Å²	110	76.1 Å²	76.1	42%	0.415	36%	0.361	S	S	.	.	H	α-helix	trans	-56.9	-42.6	173.4	-179.5	163	-65.9	140.5	8.3	112.5	D523 D525 E527 I531 E533	D523-R529 HydrophobicContact CB-CB 4.03Å; D523-R529 WeakPolarHBondContact OD2-CG 3.42Å; D523-R529 IonicContact OD2-CZ 3.57Å; D523-R529 IonicContact OD2-NE 3.72Å; D523-R529 PolarHBondContact OD2-NE 3.1Å; D523-R529 IonicContact OD2-NH2 3.15Å; D525-R529 VanDerWaalsContact O-CB 3.3Å; D525-R529 WeakPolarHBondContact O-CB 3.4Å; D525-R529 PolarHBondContact O-N 2.98Å; D525-R529 VanDerWaalsContact O-N 3.15Å; E527-R529 VanDerWaalsContact C-N 3.32Å; E527-R529 PolarHBondContact O-N 3.35Å; R529-I531 VanDerWaalsContact C-N 3.34Å; R529-E533 VanDerWaalsContact O-CB 3.25Å; R529-E533 WeakPolarHBondContact O-CB 3.4Å; R529-E533 PolarHBondContact O-N 3.24Å
530	M	93.4	Very high	92.9	Very high	119 Å²	119	75.2 Å²	75.2	59%	0.586	36%	0.357	S	S	*	.	H	α-helix	trans	-72.3	-23.5	178.5	-74.4	179	67.1	0	0	113.8	T526 E527 D528 K534	T526-M530 VanDerWaalsContact O-CG 3.31Å; T526-M530 WeakPolarHBondContact O-CG 3.47Å; T526-M530 PolarHBondContact O-N 2.92Å; E527-M530 CarbonylContact O-C 3.58Å; E527-M530 WeakPolarHBondContact O-CB 3.5Å; E527-M530 PolarHBondContact O-N 3.08Å; D528-M530 VanDerWaalsContact C-N 3.31Å; D528-M530 PolarHBondContact O-N 3.41Å; M530-K534 WeakPolarHBondContact O-CD 3.5Å; M530-K534 VanDerWaalsContact O-CE 3.31Å; M530-K534 WeakPolarHBondContact O-CE 3.44Å; M530-K534 WeakPolarHBondContact O-CG 3.28Å
531	I	92.1	Very high	93.1	Very high	76 Å²	76	70.3 Å²	70.3	39%	0.39	34%	0.336	S	S	.	.	H	α-helix	trans	-78.3	-50.8	172	-67.9	165.3	0	0	0	109.5	E527 D528 R529 E533 K534 I535	E527-I531 WeakPolarHBondContact O-CG1 3.3Å; E527-I531 PolarHBondContact O-N 3Å; D528-I531 PolarHBondContact O-N 3.12Å; D528-I531 VanDerWaalsContact O-N 3.14Å; R529-I531 VanDerWaalsContact C-N 3.34Å; I531-E533 VanDerWaalsContact C-N 3.34Å; I531-E533 PolarHBondContact O-N 3.08Å; I531-K534 PolarHBondContact O-N 3.27Å; I531-I535 HydrophobicContact CG2-CD1 4.14Å; I531-I535 PolarHBondContact O-N 3.15Å
532	N	94	Very high	93.4	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.016	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-34.2	-179.9	-73.3	-29.5	0	0	0	112.8	P518 D523 D528 I535 R536 H588	P518-N532 HydrophobicContact CB-CB 4.02Å; P518-N532 WeakPolarHBondContact CB-OD1 3.22Å; P518-N532 HydrophobicContact CG-CB 4.22Å; P518-N532 WeakPolarHBondContact CG-OD1 3.5Å; D523-N532 WeakPolarHBondContact OD1-CB 3.31Å; D523-N532 PolarHBondContact OD1-ND2 3.43Å; D528-N532 WeakPolarHBondContact O-CB 3.49Å; D528-N532 PolarHBondContact O-N 2.93Å; D528-N532 PolarHBondContact O-ND2 2.92Å; N532-I535 PolarHBondContact O-N 3.17Å; N532-R536 VanDerWaalsContact CB-CZ 3.45Å; N532-R536 WeakPolarHBondContact O-CD 3.16Å; N532-R536 WeakPolarHBondContact O-CG 3.43Å; N532-R536 PolarHBondContact O-N 3.47Å; N532-H588 PolarHBondContact OD1-NE2 2.89Å
533	E	94.3	Very high	93.7	Very high	82 Å²	82	61.6 Å²	61.6	38%	0.383	30%	0.296	S	S	.	.	H	α-helix	trans	-60.6	-45.1	175.3	-167.9	123.1	-101	0	0	112.2	K520 R529 I531 I535 R536 E537	K520-E533 IonicContact NZ-OE1 3.41Å; K520-E533 PolarHBondContact NZ-OE1 2.92Å; R529-E533 VanDerWaalsContact O-CB 3.25Å; R529-E533 WeakPolarHBondContact O-CB 3.4Å; R529-E533 PolarHBondContact O-N 3.24Å; I531-E533 VanDerWaalsContact C-N 3.34Å; I531-E533 PolarHBondContact O-N 3.08Å; E533-I535 PolarHBondContact O-N 2.66Å; E533-R536 WeakPolarHBondContact O-CB 3.39Å; E533-R536 PolarHBondContact O-N 3.3Å; E533-R536 VanDerWaalsContact O-N 3.13Å; E533-E537 WeakPolarHBondContact O-CG 3.32Å; E533-E537 PolarHBondContact O-N 3.42Å
534	K	92.9	Very high	93.9	Very high	120 Å²	120	61 Å²	61	52%	0.522	29%	0.293	S	S	.	.	H	α-helix	trans	-60.8	-34.1	175.3	-64.5	163.2	-172.5	160.6	0	112	M530 I531 M538	M530-K534 WeakPolarHBondContact O-CD 3.5Å; M530-K534 VanDerWaalsContact O-CE 3.31Å; M530-K534 WeakPolarHBondContact O-CE 3.44Å; M530-K534 WeakPolarHBondContact O-CG 3.28Å; I531-K534 PolarHBondContact O-N 3.27Å; K534-M538 WeakPolarHBondContact O-CG 3.44Å; K534-M538 PolarHBondContact O-N 3.14Å
535	I	94.1	Very high	94	Very high	13 Å²	13	54.3 Å²	54.3	7%	0.067	27%	0.267	C	S	.	.	H	α-helix	trans	-71.9	-43.8	176.2	-66	162.6	0	0	0	110.5	P518 I531 N532 E533 E537 M538 I539 F541 L583 H588	P518-I535 HydrophobicContact CG-CB 4.35Å; P518-I535 HydrophobicContact CG-CG2 3.89Å; I531-I535 HydrophobicContact CG2-CD1 4.14Å; I531-I535 PolarHBondContact O-N 3.15Å; N532-I535 PolarHBondContact O-N 3.17Å; E533-I535 PolarHBondContact O-N 2.66Å; I535-E537 PolarHBondContact O-N 3.42Å; I535-M538 HydrophobicContact CG1-CE 4.13Å; I535-M538 PolarHBondContact O-N 3.49Å; I535-M538 VanDerWaalsContact O-N 3.11Å; I535-I539 HydrophobicContact CG2-CD1 3.86Å; I535-I539 HydrophobicContact CG2-CG1 4.48Å; I535-I539 VanDerWaalsContact O-CG1 3.29Å; I535-I539 WeakPolarHBondContact O-CG1 3.47Å; I535-I539 PolarHBondContact O-N 2.96Å; I535-F541 HydrophobicContact CG2-CZ 4.31Å; I535-L583 HydrophobicContact CD1-CD1 3.86Å; I535-L583 HydrophobicContact CG1-CD1 4.43Å; I535-L583 HydrophobicContact CG2-CD1 3.89Å; I535-H588 WeakPolarHBondContact CD1-CE1 3.38Å; I535-H588 WeakPolarHBondContact CD1-NE2 3.43Å
536	R	94.5	Very high	93.8	Very high	37 Å²	37	50.5 Å²	50.5	14%	0.14	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-29.6	173.9	-66.7	158.8	-174.9	143.9	5.8	112.6	P518 Q519 D523 N532 E533	P518-R536 PolarHBondContact O-NE 3.3Å; P518-R536 PolarHBondContact O-NH2 2.71Å; Q519-R536 PolarHBondContact O-NH2 2.96Å; D523-R536 IonicContact OD1-CZ 2.9Å; D523-R536 IonicContact OD1-NH1 3.19Å; D523-R536 PolarHBondContact OD1-NH1 2.97Å; D523-R536 VanDerWaalsContact OD1-NH1 3.09Å; D523-R536 IonicContact OD1-NH2 2.67Å; D523-R536 PolarHBondContact OD1-NH2 3.29Å; D523-R536 IonicContact OD2-CZ 3.21Å; D523-R536 IonicContact OD2-NH1 2.84Å; D523-R536 PolarHBondContact OD2-NH1 3.15Å; D523-R536 IonicContact OD2-NH2 2.71Å; D523-R536 PolarHBondContact OD2-NH2 3.43Å; N532-R536 VanDerWaalsContact CB-CZ 3.45Å; N532-R536 WeakPolarHBondContact O-CD 3.16Å; N532-R536 WeakPolarHBondContact O-CG 3.43Å; N532-R536 PolarHBondContact O-N 3.47Å; E533-R536 WeakPolarHBondContact O-CB 3.39Å; E533-R536 PolarHBondContact O-N 3.3Å; E533-R536 VanDerWaalsContact O-N 3.13Å
537	E	93	Very high	93.3	Very high	120 Å²	120	47.9 Å²	47.9	56%	0.561	23%	0.229	S	C	*	.	H	α-helix	trans	-71.6	-39.1	172.2	-73.2	-177.8	150.1	0	0	113.1	R506 E533 I535	R506-E537 PolarHBondContact NH1-O 3.19Å; R506-E537 VanDerWaalsContact NH1-O 3.11Å; E533-E537 WeakPolarHBondContact O-CG 3.32Å; E533-E537 PolarHBondContact O-N 3.42Å; I535-E537 PolarHBondContact O-N 3.42Å
538	M	92.3	Very high	92.9	Very high	51 Å²	51	45 Å²	45	25%	0.251	22%	0.216	S	C	.	.	H	α-helix	trans	-73.5	-22.6	176.6	-71.2	-173.2	-68.4	0	0	113.6	K502 K534 I535 P540 F541 Y579	K502-M538 WeakPolarHBondContact CE-O 3.4Å; K502-M538 PolarHBondContact NZ-O 3.43Å; K534-M538 WeakPolarHBondContact O-CG 3.44Å; K534-M538 PolarHBondContact O-N 3.14Å; I535-M538 HydrophobicContact CG1-CE 4.13Å; I535-M538 PolarHBondContact O-N 3.49Å; I535-M538 VanDerWaalsContact O-N 3.11Å; M538-P540 CarbonylContact O-C 3.39Å; M538-F541 HydrophobicContact CB-CD1 4.37Å; M538-F541 HydrophobicContact CB-CE1 3.84Å; M538-F541 HydrophobicContact CE-CE1 4.39Å; M538-F541 HydrophobicContact SD-CE1 4.48Å; M538-Y579 HydrophobicContact CE-CD1 4.47Å; M538-Y579 HydrophobicContact SD-CD1 4.03Å; M538-Y579 HydrophobicContact SD-CD2 4.03Å; M538-Y579 HydrophobicContact SD-CE1 4.25Å; M538-Y579 HydrophobicContact SD-CE2 4.25Å; M538-Y579 HydrophobicContact SD-CG 3.91Å
539	I	94.5	Very high	92.5	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-73	138.4	-178.7	-78.4	167.8	0	0	0	111.5	P485 R506 V516 Y517 I535 F541	P485-I539 HydrophobicContact CG-CG2 3.7Å; R506-I539 WeakPolarHBondContact CD-O 3.21Å; R506-I539 VanDerWaalsContact CG-O 3.29Å; R506-I539 WeakPolarHBondContact CG-O 3.24Å; V516-I539 HydrophobicContact CG2-CG2 4.25Å; Y517-I539 WeakPolarHBondContact O-CD1 3.44Å; I535-I539 HydrophobicContact CG2-CD1 3.86Å; I535-I539 HydrophobicContact CG2-CG1 4.48Å; I535-I539 VanDerWaalsContact O-CG1 3.29Å; I535-I539 WeakPolarHBondContact O-CG1 3.47Å; I535-I539 PolarHBondContact O-N 2.96Å; I539-F541 HydrophobicContact CD1-CE2 4.35Å; I539-F541 HydrophobicContact CG1-CD2 4.24Å; I539-F541 HydrophobicContact CG1-CE2 3.69Å; I539-F541 HydrophobicContact CG1-CZ 4.06Å
540	P	96.8	Very high	92	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.214	C	C	.	.	S	Bend	cis	-77	145.5	-4.6	33.7	-37.1	0	0	0	112.5	I459 P485 I487 K502 I505 M538	I459-P540 HydrophobicContact CD1-CB 4.38Å; P485-P540 HydrophobicContact CB-CB 4.23Å; P485-P540 HydrophobicContact CG-CB 4.22Å; P485-P540 VanDerWaalsContact O-CA 3.28Å; P485-P540 WeakPolarHBondContact O-CA 3.48Å; P485-P540 VanDerWaalsContact O-CB 3.28Å; P485-P540 WeakPolarHBondContact O-CB 3.4Å; I487-P540 HydrophobicContact CD1-CG 3.85Å; I487-P540 HydrophobicContact CG1-CB 4.3Å; I487-P540 HydrophobicContact CG1-CG 3.89Å; K502-P540 WeakPolarHBondContact CE-O 3.3Å; K502-P540 HydrophobicContact CG-CG 4.23Å; K502-P540 PolarHBondContact NZ-O 3.46Å; I505-P540 HydrophobicContact CB-CG 4.16Å; I505-P540 HydrophobicContact CD1-CG 3.8Å; I505-P540 HydrophobicContact CG2-CG 3.86Å; M538-P540 CarbonylContact O-C 3.39Å
541	F	97.6	Very high	91.5	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	130.1	179.5	-60.9	-78.7	0	0	0	111.4	V484 P485 V486 I487 I535 M538 I539 V543 E576 L580 L583	V484-F541 HydrophobicContact CG1-CD2 3.93Å; V484-F541 HydrophobicContact CG1-CE2 3.9Å; P485-F541 PolarHBondContact O-N 2.8Å; V486-F541 CarbonylContact C-O 3.49Å; V486-F541 WeakPolarHBondContact CA-O 3.5Å; V486-F541 HydrophobicContact CG2-CB 4.4Å; I487-F541 PolarHBondContact N-O 3.15Å; I535-F541 HydrophobicContact CG2-CZ 4.31Å; M538-F541 HydrophobicContact CB-CD1 4.37Å; M538-F541 HydrophobicContact CB-CE1 3.84Å; M538-F541 HydrophobicContact CE-CE1 4.39Å; M538-F541 HydrophobicContact SD-CE1 4.48Å; I539-F541 HydrophobicContact CD1-CE2 4.35Å; I539-F541 HydrophobicContact CG1-CD2 4.24Å; I539-F541 HydrophobicContact CG1-CE2 3.69Å; I539-F541 HydrophobicContact CG1-CZ 4.06Å; F541-V543 HydrophobicContact CB-CG1 4.04Å; F541-E576 WeakPolarHBondContact CA-OE2 3.34Å; F541-E576 HydrophobicContact CB-CB 4.42Å; F541-E576 HydrophobicContact CD1-CB 4.34Å; F541-L580 HydrophobicContact CB-CB 4.37Å; F541-L580 HydrophobicContact CD2-CB 4.36Å; F541-L580 HydrophobicContact CD2-CD1 3.92Å; F541-L580 HydrophobicContact CE2-CD1 4.36Å; F541-L580 HydrophobicContact CG-CB 4.23Å; F541-L583 HydrophobicContact CE2-CD2 3.78Å; F541-L583 HydrophobicContact CZ-CD2 4.05Å
542	A	97.2	Very high	90.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	101.2	176.6	0	0	0	0	0	110.3	A490 R498 K502 E576	A490-A542 HydrophobicContact CB-CB 3.74Å; R498-A542 HydrophobicContact CG-CB 3.78Å; K502-A542 HydrophobicContact CD-CB 4.49Å; A542-E576 PolarHBondContact N-OE2 3.18Å; A542-E576 WeakPolarHBondContact O-CB 3.4Å; A542-E576 PolarHBondContact O-N 3.13Å
543	V	96.4	Very high	90	Very high	3 Å²	3	51 Å²	51	2%	0.018	25%	0.25	C	C	.	.			trans	-116.2	153	-170.6	-50.2	0	0	0	0	113.8	L358 V486 I487 K489 A490 F541 F577 L580	L358-V543 HydrophobicContact CD1-CB 4.45Å; L358-V543 HydrophobicContact CD1-CG2 3.91Å; L358-V543 HydrophobicContact CD2-CG2 4.3Å; V486-V543 HydrophobicContact CG1-CB 4.27Å; V486-V543 HydrophobicContact CG1-CG1 4.02Å; V486-V543 HydrophobicContact CG1-CG2 3.34Å; I487-V543 PolarHBondContact O-N 3.15Å; I487-V543 VanDerWaalsContact O-N 3.16Å; K489-V543 PolarHBondContact N-O 3.4Å; A490-V543 PolarHBondContact N-O 3.29Å; F541-V543 HydrophobicContact CB-CG1 4.04Å; V543-F577 HydrophobicContact CB-CB 4.27Å; V543-F577 HydrophobicContact CG1-CB 4.3Å; V543-L580 HydrophobicContact CG1-CB 4.35Å; V543-L580 HydrophobicContact CG1-CD2 3.87Å
544	V	95.4	Very high	89.3	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.012	26%	0.26	C	S	.	.			trans	-120.3	126.8	171.5	-179	0	0	0	0	107.6	A490 D491 R560 I567 V569 C575	A490-V544 HydrophobicContact CB-CG2 4.21Å; D491-V544 HydrophobicContact CB-CG1 4.36Å; D491-V544 HydrophobicContact CB-CG2 3.85Å; V544-R560 HydrophobicContact CG1-CB 4.26Å; V544-I567 HydrophobicContact CG1-CG2 4.32Å; V544-I567 HydrophobicContact CG2-CG2 4.42Å; V544-V569 HydrophobicContact CB-CG2 4.48Å; V544-V569 HydrophobicContact CG1-CG2 4.28Å; V544-V569 WeakPolarHBondContact O-CG1 3.45Å; V544-C575 HydrophobicContact CB-CB 4.22Å; V544-C575 HydrophobicContact CG2-CB 3.83Å
545	G	91.8	Very high	88.6	Confident	20 Å²	20	53.8 Å²	53.8	21%	0.206	27%	0.271	C	S	.	.			trans	-91.1	143.8	174.5	0	0	0	0	0	111.6
546	S	89.5	Confident	88	Confident	4 Å²	4	61.3 Å²	61.3	3%	0.028	30%	0.299	C	S	.	.			trans	-142.9	142	163.5	-168.6	0	0	0	0	112.3	T361 Q548 G559	T361-S546 PolarHBondContact OG1-N 2.92Å; T361-S546 PolarHBondContact OG1-O 3.47Å; S546-Q548 PolarHBondContact OG-N 3.37Å; S546-Q548 PolarHBondContact OG-O 3.01Å; S546-G559 WeakPolarHBondContact CB-O 3.48Å; S546-G559 PolarHBondContact OG-O 3.03Å
547	D	81.2	Confident	87.5	Confident	46 Å²	46	60.8 Å²	60.8	25%	0.246	30%	0.299	C	S	.	.			trans	-95.3	-7.9	168.4	57.3	-4.3	0	0	0	112.7	K364	K364-D547 PolarHBondContact NZ-O 2.9Å
548	Q	84.3	Confident	87.3	Confident	83 Å²	83	55.4 Å²	55.4	39%	0.388	27%	0.274	S	S	.	.			trans	-103.9	133	-172.7	-78.1	155.7	77.6	0	0	112.6	S546 Y550 G559	S546-Q548 PolarHBondContact OG-N 3.37Å; S546-Q548 PolarHBondContact OG-O 3.01Å; Q548-Y550 HydrophobicContact CB-CE2 3.9Å; Q548-Y550 PolarHBondContact OE1-OH 3.4Å; Q548-Y550 VanDerWaalsContact OE1-OH 3.11Å; Q548-G559 PolarHBondContact O-N 2.92Å
549	E	84.4	Confident	87.2	Confident	86 Å²	86	53 Å²	53	40%	0.402	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.4	170.4	-72.4	172.3	-136	0	0	110.1	L557 L558	E549-L557 CarbonylContact C-O 3.6Å; E549-L557 VanDerWaalsContact CA-O 3.3Å; E549-L557 WeakPolarHBondContact CA-O 3.5Å; E549-L558 HydrophobicContact CG-CD2 3.85Å; E549-L558 HydrophobicContact CG-CG 4.5Å
550	Y	83.4	Confident	86.9	Confident	60 Å²	60	57.5 Å²	57.5	24%	0.235	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.8	171.9	-69.4	-79.1	0	0	0	109.6	Q548 R556 L557 G559 K561 T566	Q548-Y550 HydrophobicContact CB-CE2 3.9Å; Q548-Y550 PolarHBondContact OE1-OH 3.4Å; Q548-Y550 VanDerWaalsContact OE1-OH 3.11Å; Y550-R556 WeakPolarHBondContact O-CA 3.31Å; Y550-L557 PolarHBondContact N-O 3.5Å; Y550-L557 PolarHBondContact O-N 2.82Å; Y550-G559 WeakPolarHBondContact CD2-O 3.4Å; Y550-G559 VanDerWaalsContact CE2-O 3.24Å; Y550-G559 WeakPolarHBondContact CE2-O 3.47Å; Y550-K561 HydrophobicContact CE1-CB 4.29Å; Y550-K561 HydrophobicContact CE1-CD 4.19Å; Y550-K561 HydrophobicContact CE2-CB 4Å; Y550-K561 VanDerWaalsContact OH-CB 3.28Å; Y550-K561 WeakPolarHBondContact OH-CB 3.35Å; Y550-T566 HydrophobicContact CD2-CG2 3.94Å; Y550-T566 HydrophobicContact CE2-CG2 4.45Å; Y550-T566 HydrophobicContact CG-CG2 4.3Å
551	Q	82.8	Confident	86.6	Confident	135 Å²	135	64.3 Å²	64.3	63%	0.631	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.4	172.9	-163.3	167.8	8.2	0	0	109.6	G554 R555	Q551-G554 PolarHBondContact NE2-O 2.85Å; Q551-R555 CarbonylContact C-O 3.56Å; Q551-R555 WeakPolarHBondContact CA-O 3.4Å
552	V	77.5	Confident	86.2	Confident	45 Å²	45	66.6 Å²	66.6	27%	0.273	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.2	-179.7	-174.4	0	0	0	0	107.6	G554 R555 L557	V552-G554 PolarHBondContact O-N 2.89Å; V552-G554 VanDerWaalsContact O-N 3.16Å; V552-R555 PolarHBondContact N-O 2.89Å; V552-R555 PolarHBondContact O-N 3.49Å; V552-R555 VanDerWaalsContact O-O 3.14Å; V552-L557 HydrophobicContact CB-CD2 3.86Å; V552-L557 HydrophobicContact CG2-CD1 4.47Å; V552-L557 HydrophobicContact CG2-CD2 3.94Å; V552-L557 HydrophobicContact CG2-CG 4.3Å
553	N	76.5	Confident	86	Confident	158 Å²	158	76.5 Å²	76.5	85%	0.845	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	41.9	-177.3	-57.2	-24.8	0	0	0	112.6	R555	N553-R555 PolarHBondContact O-N 3.2Å; N553-R555 VanDerWaalsContact O-N 3.09Å
554	G	78.6	Confident	85.6	Confident	58 Å²	58	88.2 Å²	88.2	60%	0.598	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	-17.3	-176.5	0	0	0	0	0	115.7	Q551 V552	Q551-G554 PolarHBondContact NE2-O 2.85Å; V552-G554 PolarHBondContact O-N 2.89Å; V552-G554 VanDerWaalsContact O-N 3.16Å
555	R	78.8	Confident	85.4	Confident	203 Å²	203	89.9 Å²	89.9	77%	0.766	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	135.5	-178.6	-62.4	-180	178.7	-177.7	-0.6	110.8	Q551 V552 N553	Q551-R555 CarbonylContact C-O 3.56Å; Q551-R555 WeakPolarHBondContact CA-O 3.4Å; V552-R555 PolarHBondContact N-O 2.89Å; V552-R555 PolarHBondContact O-N 3.49Å; V552-R555 VanDerWaalsContact O-O 3.14Å; N553-R555 PolarHBondContact O-N 3.2Å; N553-R555 VanDerWaalsContact O-N 3.09Å
556	R	81.1	Confident	85.3	Confident	171 Å²	171	91.3 Å²	91.3	65%	0.645	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	131.4	165.1	-65.6	-173	-174.6	179.8	3.5	109.2	Y550	Y550-R556 WeakPolarHBondContact O-CA 3.31Å
557	L	85.4	Confident	85.4	Confident	26 Å²	26	92.8 Å²	92.8	14%	0.136	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.5	176.6	60	83.2	0	0	0	110.4	E549 Y550 V552 E568	E549-L557 CarbonylContact C-O 3.6Å; E549-L557 VanDerWaalsContact CA-O 3.3Å; E549-L557 WeakPolarHBondContact CA-O 3.5Å; Y550-L557 PolarHBondContact N-O 3.5Å; Y550-L557 PolarHBondContact O-N 2.82Å; V552-L557 HydrophobicContact CB-CD2 3.86Å; V552-L557 HydrophobicContact CG2-CD1 4.47Å; V552-L557 HydrophobicContact CG2-CD2 3.94Å; V552-L557 HydrophobicContact CG2-CG 4.3Å; L557-E568 HydrophobicContact CD1-CB 4.06Å; L557-E568 HydrophobicContact CD1-CG 3.83Å; L557-E568 HydrophobicContact CD2-CB 4.44Å; L557-E568 HydrophobicContact CD2-CG 3.86Å; L557-E568 VanDerWaalsContact CD2-OE1 3.22Å; L557-E568 WeakPolarHBondContact CD2-OE1 3.38Å
558	L	88.1	Confident	86	Confident	6 Å²	6	92.9 Å²	92.9	3%	0.031	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.1	166.8	-72.2	166.4	0	0	0	108.5	T361 K364 E549 V569	T361-L558 HydrophobicContact CG2-CD1 4.08Å; K364-L558 HydrophobicContact CB-CD1 3.82Å; K364-L558 HydrophobicContact CB-CD2 3.9Å; K364-L558 HydrophobicContact CB-CG 4.38Å; K364-L558 HydrophobicContact CD-CD2 4.04Å; E549-L558 HydrophobicContact CG-CD2 3.85Å; E549-L558 HydrophobicContact CG-CG 4.5Å; L558-V569 HydrophobicContact CB-CB 4.36Å; L558-V569 PolarHBondContact O-N 3.1Å
559	G	89.4	Confident	86.4	Confident	0 Å²	0	88.9 Å²	88.9	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	154.7	-176.5	0	0	0	0	0	112.4	S546 Q548 Y550 I567	S546-G559 WeakPolarHBondContact CB-O 3.48Å; S546-G559 PolarHBondContact OG-O 3.03Å; Q548-G559 PolarHBondContact O-N 2.92Å; Y550-G559 WeakPolarHBondContact CD2-O 3.4Å; Y550-G559 VanDerWaalsContact CE2-O 3.24Å; Y550-G559 WeakPolarHBondContact CE2-O 3.47Å; G559-I567 CarbonylContact C-O 3.47Å; G559-I567 WeakPolarHBondContact CA-O 3.48Å
560	R	89.8	Confident	86.6	Confident	99 Å²	99	86.8 Å²	86.8	37%	0.374	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	107.6	179.6	174.4	169.9	158.6	76.9	-1.6	108.8	D491 V544 I567	D491-R560 IonicContact OD1-NE 2.79Å; D491-R560 IonicContact OD2-CZ 3.81Å; D491-R560 IonicContact OD2-NE 3.53Å; D491-R560 PolarHBondContact OD2-NE 2.8Å; D491-R560 IonicContact OD2-NH2 3.82Å; D491-R560 PolarHBondContact OD2-NH2 3.13Å; V544-R560 HydrophobicContact CG1-CB 4.26Å; R560-I567 HydrophobicContact CB-CB 4.42Å; R560-I567 PolarHBondContact N-O 3.12Å; R560-I567 PolarHBondContact O-N 3.46Å
561	K	89.1	Confident	87	Confident	144 Å²	144	86.5 Å²	86.5	63%	0.626	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	126	179.7	-172.5	172.6	-178.1	177.3	0	110.7	Y550	Y550-K561 HydrophobicContact CE1-CB 4.29Å; Y550-K561 HydrophobicContact CE1-CD 4.19Å; Y550-K561 HydrophobicContact CE2-CB 4Å; Y550-K561 VanDerWaalsContact OH-CB 3.28Å; Y550-K561 WeakPolarHBondContact OH-CB 3.35Å
562	T	90.5	Very high	87.4	Confident	49 Å²	49	84.5 Å²	84.5	30%	0.301	40%	0.404	S	S	.	.			trans	-111.1	-175.4	174.7	73.2	0	0	0	0	109.9	W564 G565 I567	T562-W564 VanDerWaalsContact C-N 3.27Å; T562-W564 PolarHBondContact OG1-N 2.95Å; T562-W564 VanDerWaalsContact OG1-N 3.07Å; T562-G565 PolarHBondContact N-O 2.71Å; T562-G565 PolarHBondContact OG1-N 2.82Å; T562-G565 VanDerWaalsContact OG1-N 3.12Å; T562-G565 PolarHBondContact OG1-O 2.95Å; T562-I567 HydrophobicContact CG2-CD1 3.87Å; T562-I567 HydrophobicContact CG2-CG1 4.19Å
563	K	91.4	Very high	88.2	Confident	209 Å²	209	86.4 Å²	86.4	91%	0.909	43%	0.425	S	S	*	.	S	Bend	trans	-70.9	-22.1	168.7	-67.6	-173.6	178.3	-177.2	0	113.2
564	W	89.7	Confident	89	Confident	249 Å²	249	83.1 Å²	83.1	94%	0.943	40%	0.404	S	S	*	.	S	Bend	trans	-100.2	-19	-172.4	-55.7	113	0	0	0	113.7	T562	T562-W564 VanDerWaalsContact C-N 3.27Å; T562-W564 PolarHBondContact OG1-N 2.95Å; T562-W564 VanDerWaalsContact OG1-N 3.07Å
565	G	89.6	Confident	89.7	Confident	36 Å²	36	80.5 Å²	80.5	37%	0.371	38%	0.377	S	S	.	.			trans	162.9	-177.5	-176.9	0	0	0	0	0	112.8	T562	T562-G565 PolarHBondContact N-O 2.71Å; T562-G565 PolarHBondContact OG1-N 2.82Å; T562-G565 VanDerWaalsContact OG1-N 3.12Å; T562-G565 PolarHBondContact OG1-O 2.95Å
566	T	90.2	Very high	90.6	Very high	51 Å²	51	71.9 Å²	71.9	31%	0.313	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116.1	176.1	-58.7	0	0	0	0	110	Y550 E568	Y550-T566 HydrophobicContact CD2-CG2 3.94Å; Y550-T566 HydrophobicContact CE2-CG2 4.45Å; Y550-T566 HydrophobicContact CG-CG2 4.3Å; T566-E568 PolarHBondContact O-N 2.92Å
567	I	92.4	Very high	91.2	Very high	35 Å²	35	63.8 Å²	63.8	18%	0.179	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	102.9	176.5	-54.9	177.9	0	0	0	107.9	D491 V544 G559 R560 T562 V569 H574	D491-I567 HydrophobicContact CB-CD1 3.48Å; D491-I567 VanDerWaalsContact CB-CD1 3.48Å; V544-I567 HydrophobicContact CG1-CG2 4.32Å; V544-I567 HydrophobicContact CG2-CG2 4.42Å; G559-I567 CarbonylContact C-O 3.47Å; G559-I567 WeakPolarHBondContact CA-O 3.48Å; R560-I567 HydrophobicContact CB-CB 4.42Å; R560-I567 PolarHBondContact N-O 3.12Å; R560-I567 PolarHBondContact O-N 3.46Å; T562-I567 HydrophobicContact CG2-CD1 3.87Å; T562-I567 HydrophobicContact CG2-CG1 4.19Å; I567-V569 PolarHBondContact O-N 3.36Å; I567-H574 HydrophobicContact CG2-CB 3.99Å
568	E	92.4	Very high	91.6	Very high	47 Å²	47	63 Å²	63	22%	0.22	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	119.7	176.3	-49.3	178.7	153.5	0	0	110.1	L557 T566 N571 H574	L557-E568 HydrophobicContact CD1-CB 4.06Å; L557-E568 HydrophobicContact CD1-CG 3.83Å; L557-E568 HydrophobicContact CD2-CB 4.44Å; L557-E568 HydrophobicContact CD2-CG 3.86Å; L557-E568 VanDerWaalsContact CD2-OE1 3.22Å; L557-E568 WeakPolarHBondContact CD2-OE1 3.38Å; T566-E568 PolarHBondContact O-N 2.92Å; E568-N571 HydrophobicContact CB-CB 3.77Å; E568-N571 PolarHBondContact O-N 2.97Å; E568-N571 PolarHBondContact OE2-ND2 2.73Å; E568-H574 WeakPolarHBondContact CB-ND1 3.46Å; E568-H574 PolarHBondContact N-ND1 2.95Å; E568-H574 WeakPolarHBondContact O-CB 3.47Å; E568-H574 PolarHBondContact O-ND1 3.12Å; E568-H574 IonicContact OE2-CE1 2.96Å
569	V	92.6	Very high	91.9	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-27.6	-170.2	170.8	0	0	0	0	112.9	T361 V544 L558 I567 N571 C575 F577	T361-V569 HydrophobicContact CG2-CG1 3.61Å; V544-V569 HydrophobicContact CB-CG2 4.48Å; V544-V569 HydrophobicContact CG1-CG2 4.28Å; V544-V569 WeakPolarHBondContact O-CG1 3.45Å; L558-V569 HydrophobicContact CB-CB 4.36Å; L558-V569 PolarHBondContact O-N 3.1Å; I567-V569 PolarHBondContact O-N 3.36Å; V569-N571 VanDerWaalsContact C-N 3.28Å; V569-N571 PolarHBondContact O-N 3.43Å; V569-C575 PolarHBondContact O-SG 2.71Å; V569-C575 VanDerWaalsContact O-SG 3.4Å; V569-F577 HydrophobicContact CG1-CB 4.08Å; V569-F577 HydrophobicContact CG1-CD1 3.54Å; V569-F577 HydrophobicContact CG1-CE1 4.13Å; V569-F577 HydrophobicContact CG1-CG 3.8Å
570	E	89.3	Confident	92.2	Very high	41 Å²	41	67.1 Å²	67.1	19%	0.192	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.3	173.1	-74.9	-153.2	-129.6	0	0	114	K366 R581	K366-E570 WeakPolarHBondContact CD-OE1 3.5Å; K366-E570 WeakPolarHBondContact CE-OE1 3.36Å; K366-E570 VanDerWaalsContact CE-OE2 3.31Å; K366-E570 WeakPolarHBondContact CE-OE2 3.24Å; K366-E570 IonicContact NZ-OE1 2.87Å; K366-E570 PolarHBondContact NZ-OE1 3.42Å; K366-E570 IonicContact NZ-OE2 3.73Å; K366-E570 PolarHBondContact NZ-OE2 2.84Å; E570-R581 IonicContact OE1-NH1 3.86Å; E570-R581 IonicContact OE2-CZ 2.73Å; E570-R581 IonicContact OE2-NH1 2.69Å; E570-R581 PolarHBondContact OE2-NH1 2.9Å; E570-R581 IonicContact OE2-NH2 2.76Å
571	N	91.2	Very high	92.3	Very high	54 Å²	54	63 Å²	63	29%	0.289	31%	0.312	S	S	.	.			trans	-93.2	118.5	-175.4	-169.7	-23.1	0	0	0	111.2	E568 V569 A573 H574 C575	E568-N571 HydrophobicContact CB-CB 3.77Å; E568-N571 PolarHBondContact O-N 2.97Å; E568-N571 PolarHBondContact OE2-ND2 2.73Å; V569-N571 VanDerWaalsContact C-N 3.28Å; V569-N571 PolarHBondContact O-N 3.43Å; N571-A573 PolarHBondContact O-N 2.84Å; N571-A573 WeakPolarHBondContact OD1-CB 3.32Å; N571-A573 PolarHBondContact OD1-N 3.04Å; N571-H574 HydrophobicContact CB-CB 4.47Å; N571-H574 PolarHBondContact O-N 2.85Å; N571-C575 PolarHBondContact O-N 2.86Å; N571-C575 VanDerWaalsContact O-N 3.08Å
572	I	92.8	Very high	92.4	Very high	94 Å²	94	58.3 Å²	58.3	48%	0.482	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.3	-178.9	-65.4	169.5	0	0	0	112	H574 A578 Y579	I572-H574 PolarHBondContact O-N 3.1Å; I572-A578 HydrophobicContact CG1-CB 3.96Å; I572-Y579 HydrophobicContact CG1-CE2 4.49Å; I572-Y579 HydrophobicContact CG2-CE2 3.79Å; I572-Y579 WeakPolarHBondContact CG2-OH 3.39Å
573	A	92.9	Very high	92.5	Very high	85 Å²	85	56.2 Å²	56.2	70%	0.702	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.1	175.8	0	0	0	0	0	113.5	N571	N571-A573 PolarHBondContact O-N 2.84Å; N571-A573 WeakPolarHBondContact OD1-CB 3.32Å; N571-A573 PolarHBondContact OD1-N 3.04Å
574	H	92.9	Very high	92.5	Very high	88 Å²	88	46.3 Å²	46.3	41%	0.407	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-44.3	179.7	-62.1	152.2	0	0	0	113	I567 E568 N571 I572	I567-H574 HydrophobicContact CG2-CB 3.99Å; E568-H574 WeakPolarHBondContact CB-ND1 3.46Å; E568-H574 PolarHBondContact N-ND1 2.95Å; E568-H574 WeakPolarHBondContact O-CB 3.47Å; E568-H574 PolarHBondContact O-ND1 3.12Å; E568-H574 IonicContact OE2-CE1 2.96Å; N571-H574 HydrophobicContact CB-CB 4.47Å; N571-H574 PolarHBondContact O-N 2.85Å; I572-H574 PolarHBondContact O-N 3.1Å
575	C	94.9	Very high	92.4	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.02	20%	0.199	C	C	.	.			trans	-157.9	164.5	176.1	77	0	0	0	0	113.4	V544 V569 N571 F577	V544-C575 HydrophobicContact CB-CB 4.22Å; V544-C575 HydrophobicContact CG2-CB 3.83Å; V569-C575 PolarHBondContact O-SG 2.71Å; V569-C575 VanDerWaalsContact O-SG 3.4Å; N571-C575 PolarHBondContact O-N 2.86Å; N571-C575 VanDerWaalsContact O-N 3.08Å; C575-F577 VanDerWaalsContact C-N 3.26Å; C575-F577 PolarHBondContact O-N 2.91Å
576	E	96.1	Very high	92.2	Very high	22 Å²	22	40 Å²	40	10%	0.103	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	11.6	-172.5	-59.5	175.4	163.2	0	0	113.1	K502 F541 A542 A578 Y579 L580	K502-E576 IonicContact NZ-OE1 2.82Å; K502-E576 PolarHBondContact NZ-OE1 3.18Å; K502-E576 IonicContact NZ-OE2 2.67Å; K502-E576 PolarHBondContact NZ-OE2 2.84Å; F541-E576 WeakPolarHBondContact CA-OE2 3.34Å; F541-E576 HydrophobicContact CB-CB 4.42Å; F541-E576 HydrophobicContact CD1-CB 4.34Å; A542-E576 PolarHBondContact N-OE2 3.18Å; A542-E576 WeakPolarHBondContact O-CB 3.4Å; A542-E576 PolarHBondContact O-N 3.13Å; E576-A578 PolarHBondContact O-N 2.75Å; E576-Y579 HydrophobicContact CB-CD2 4.1Å; E576-Y579 HydrophobicContact CG-CD2 4.39Å; E576-Y579 WeakPolarHBondContact O-CB 3.27Å; E576-Y579 PolarHBondContact O-N 2.89Å; E576-L580 PolarHBondContact O-N 2.78Å
577	F	95.3	Very high	92.1	Very high	1 Å²	1	42 Å²	42	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-57.5	-35.8	179.8	172.1	-102.4	0	0	0	112.8	L358 T361 V543 V569 C575 Y579 L580 R581	L358-F577 HydrophobicContact CD1-CD2 3.68Å; L358-F577 HydrophobicContact CD1-CE2 3.8Å; L358-F577 HydrophobicContact CG-CE2 4.37Å; T361-F577 HydrophobicContact CG2-CD1 4.32Å; T361-F577 HydrophobicContact CG2-CD2 4.46Å; T361-F577 HydrophobicContact CG2-CE1 3.74Å; T361-F577 HydrophobicContact CG2-CE2 3.89Å; T361-F577 HydrophobicContact CG2-CZ 3.5Å; T361-F577 VanDerWaalsContact CG2-CZ 3.5Å; V543-F577 HydrophobicContact CB-CB 4.27Å; V543-F577 HydrophobicContact CG1-CB 4.3Å; V569-F577 HydrophobicContact CG1-CB 4.08Å; V569-F577 HydrophobicContact CG1-CD1 3.54Å; V569-F577 HydrophobicContact CG1-CE1 4.13Å; V569-F577 HydrophobicContact CG1-CG 3.8Å; C575-F577 VanDerWaalsContact C-N 3.26Å; C575-F577 PolarHBondContact O-N 2.91Å; F577-Y579 VanDerWaalsContact C-N 3.28Å; F577-Y579 PolarHBondContact O-N 2.95Å; F577-L580 PolarHBondContact O-N 3.02Å; F577-R581 HydrophobicContact CZ-CB 4.43Å; F577-R581 WeakPolarHBondContact O-CB 3.36Å; F577-R581 PolarHBondContact O-N 3.43Å
578	A	92.8	Very high	92.1	Very high	9 Å²	9	41.2 Å²	41.2	7%	0.074	21%	0.212	C	C	.	.	H	α-helix	trans	-58.6	-38.9	175.5	0	0	0	0	0	112.2	I572 E576 D582	I572-A578 HydrophobicContact CG1-CB 3.96Å; E576-A578 PolarHBondContact O-N 2.75Å; A578-D582 VanDerWaalsContact O-CB 3.32Å; A578-D582 WeakPolarHBondContact O-CB 3.41Å; A578-D582 PolarHBondContact O-N 2.84Å
579	Y	94.9	Very high	92.1	Very high	91 Å²	91	40.2 Å²	40.2	36%	0.357	21%	0.208	S	C	.	.	H	α-helix	trans	-71.4	-43.8	176	-61.8	-62.1	0	0	0	112	M538 I572 E576 F577 R581 D582 L583	M538-Y579 HydrophobicContact CE-CD1 4.47Å; M538-Y579 HydrophobicContact SD-CD1 4.03Å; M538-Y579 HydrophobicContact SD-CD2 4.03Å; M538-Y579 HydrophobicContact SD-CE1 4.25Å; M538-Y579 HydrophobicContact SD-CE2 4.25Å; M538-Y579 HydrophobicContact SD-CG 3.91Å; I572-Y579 HydrophobicContact CG1-CE2 4.49Å; I572-Y579 HydrophobicContact CG2-CE2 3.79Å; I572-Y579 WeakPolarHBondContact CG2-OH 3.39Å; E576-Y579 HydrophobicContact CB-CD2 4.1Å; E576-Y579 HydrophobicContact CG-CD2 4.39Å; E576-Y579 WeakPolarHBondContact O-CB 3.27Å; E576-Y579 PolarHBondContact O-N 2.89Å; F577-Y579 VanDerWaalsContact C-N 3.28Å; F577-Y579 PolarHBondContact O-N 2.95Å; Y579-R581 VanDerWaalsContact C-N 3.31Å; Y579-R581 PolarHBondContact O-N 3.35Å; Y579-D582 PolarHBondContact O-N 2.78Å; Y579-L583 VanDerWaalsContact O-CB 3.3Å; Y579-L583 WeakPolarHBondContact O-CB 3.49Å; Y579-L583 PolarHBondContact O-N 2.93Å
580	L	95.1	Very high	92	Very high	2 Å²	2	44 Å²	44	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-58.1	-44	176.2	177.3	63.6	0	0	0	111.7	L358 V484 V486 F541 V543 E576 F577 L584	L358-L580 HydrophobicContact CD2-CD2 4.01Å; V484-L580 HydrophobicContact CG1-CD1 3.66Å; V486-L580 HydrophobicContact CG2-CD1 4.03Å; V486-L580 HydrophobicContact CG2-CD2 3.85Å; F541-L580 HydrophobicContact CB-CB 4.37Å; F541-L580 HydrophobicContact CD2-CB 4.36Å; F541-L580 HydrophobicContact CD2-CD1 3.92Å; F541-L580 HydrophobicContact CE2-CD1 4.36Å; F541-L580 HydrophobicContact CG-CB 4.23Å; V543-L580 HydrophobicContact CG1-CB 4.35Å; V543-L580 HydrophobicContact CG1-CD2 3.87Å; E576-L580 PolarHBondContact O-N 2.78Å; F577-L580 PolarHBondContact O-N 3.02Å; L580-L584 HydrophobicContact CD1-CD1 3.78Å; L580-L584 HydrophobicContact CD1-CG 4.29Å; L580-L584 HydrophobicContact CG-CD1 3.95Å; L580-L584 WeakPolarHBondContact O-CD1 3.4Å; L580-L584 WeakPolarHBondContact O-CG 3.35Å; L580-L584 PolarHBondContact O-N 2.93Å
581	R	91.6	Very high	92.2	Very high	13 Å²	13	43.5 Å²	43.5	5%	0.049	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-51.2	175.8	-179.6	-166.3	69.3	-152.1	-7.6	111.5	L362 S365 E570 F577 Y579 L583 L584 I585	L362-R581 HydrophobicContact CD1-CB 4.39Å; L362-R581 HydrophobicContact CD1-CG 4.02Å; S365-R581 WeakPolarHBondContact OG-CD 3.33Å; S365-R581 PolarHBondContact OG-NH1 2.81Å; E570-R581 IonicContact OE1-NH1 3.86Å; E570-R581 IonicContact OE2-CZ 2.73Å; E570-R581 IonicContact OE2-NH1 2.69Å; E570-R581 PolarHBondContact OE2-NH1 2.9Å; E570-R581 IonicContact OE2-NH2 2.76Å; F577-R581 HydrophobicContact CZ-CB 4.43Å; F577-R581 WeakPolarHBondContact O-CB 3.36Å; F577-R581 PolarHBondContact O-N 3.43Å; Y579-R581 VanDerWaalsContact C-N 3.31Å; Y579-R581 PolarHBondContact O-N 3.35Å; R581-L583 VanDerWaalsContact C-N 3.26Å; R581-L583 PolarHBondContact O-N 3.36Å; R581-L584 PolarHBondContact O-N 2.93Å; R581-L584 VanDerWaalsContact O-N 3.12Å; R581-I585 HydrophobicContact CG-CD1 3.72Å; R581-I585 HydrophobicContact CG-CG1 3.75Å; R581-I585 WeakPolarHBondContact O-CG1 3.4Å; R581-I585 PolarHBondContact O-N 2.98Å
582	D	91.1	Very high	92.5	Very high	45 Å²	45	41 Å²	41	24%	0.241	21%	0.21	C	C	.	.	H	α-helix	trans	-70.8	-23.2	-174	-74.7	33.2	0	0	0	112.4	A578 Y579 R586 T587	A578-D582 VanDerWaalsContact O-CB 3.32Å; A578-D582 WeakPolarHBondContact O-CB 3.41Å; A578-D582 PolarHBondContact O-N 2.84Å; Y579-D582 PolarHBondContact O-N 2.78Å; D582-R586 WeakPolarHBondContact O-CB 3.44Å; D582-R586 IonicContact OD1-CZ 2.67Å; D582-R586 IonicContact OD1-NH1 3.17Å; D582-R586 PolarHBondContact OD1-NH1 3.36Å; D582-R586 WeakPolarHBondContact OD2-CD 3.39Å; D582-R586 IonicContact OD2-CZ 3.33Å; D582-R586 IonicContact OD2-NE 3.67Å; D582-R586 IonicContact OD2-NH1 2.66Å; D582-R586 PolarHBondContact OD2-NH1 2.6Å; D582-T587 PolarHBondContact O-N 2.92Å; D582-T587 PolarHBondContact O-OG1 3.35Å
583	L	93.6	Very high	92.6	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.026	19%	0.193	C	C	.	.	I	π-helix	trans	-60.7	-62.6	161.9	-177	74.9	0	0	0	110.5	V484 Y517 I535 F541 Y579 R581 T587 H588	V484-L583 HydrophobicContact CG1-CD2 4.18Å; V484-L583 HydrophobicContact CG2-CD2 4.2Å; Y517-L583 HydrophobicContact CE1-CD1 4.39Å; I535-L583 HydrophobicContact CD1-CD1 3.86Å; I535-L583 HydrophobicContact CG1-CD1 4.43Å; I535-L583 HydrophobicContact CG2-CD1 3.89Å; F541-L583 HydrophobicContact CE2-CD2 3.78Å; F541-L583 HydrophobicContact CZ-CD2 4.05Å; Y579-L583 VanDerWaalsContact O-CB 3.3Å; Y579-L583 WeakPolarHBondContact O-CB 3.49Å; Y579-L583 PolarHBondContact O-N 2.93Å; R581-L583 VanDerWaalsContact C-N 3.26Å; R581-L583 PolarHBondContact O-N 3.36Å; L583-T587 WeakPolarHBondContact CA-OG1 3.36Å; L583-H588 HydrophobicContact CD1-CB 3.83Å; L583-H588 HydrophobicContact CG-CB 4.36Å; L583-H588 PolarHBondContact O-N 2.79Å
584	L	91.6	Very high	92.7	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	18%	0.179	C	C	.	.	I	π-helix	trans	-67.6	-40	-167.6	-68.7	168.8	0	0	0	114.9	L343 I345 C454 I456 L580 R581 I592	L343-L584 WeakPolarHBondContact CD2-O 3.19Å; I345-L584 HydrophobicContact CD1-CB 4.23Å; I345-L584 HydrophobicContact CD1-CD1 4.28Å; I345-L584 HydrophobicContact CD1-CD2 4.31Å; C454-L584 HydrophobicContact CB-CD2 4.24Å; C454-L584 VanDerWaalsContact SG-CD2 3.54Å; I456-L584 HydrophobicContact CD1-CD1 3.65Å; I456-L584 HydrophobicContact CG1-CD1 4.22Å; L580-L584 HydrophobicContact CD1-CD1 3.78Å; L580-L584 HydrophobicContact CD1-CG 4.29Å; L580-L584 HydrophobicContact CG-CD1 3.95Å; L580-L584 WeakPolarHBondContact O-CD1 3.4Å; L580-L584 WeakPolarHBondContact O-CG 3.35Å; L580-L584 PolarHBondContact O-N 2.93Å; R581-L584 PolarHBondContact O-N 2.93Å; R581-L584 VanDerWaalsContact O-N 3.12Å; L584-I592 HydrophobicContact CD2-CD1 4.29Å
585	I	87	Confident	92.8	Very high	27 Å²	27	33.6 Å²	33.6	14%	0.138	16%	0.162	C	C	.	.	I	π-helix	trans	-119.1	2.8	-169.2	63.2	153	0	0	0	115.3	L343 V367 M400 R581	L343-I585 HydrophobicContact CD2-CG2 4.26Å; V367-I585 HydrophobicContact CG2-CD1 3.5Å; V367-I585 VanDerWaalsContact CG2-CD1 3.5Å; M400-I585 HydrophobicContact CE-CB 4.14Å; M400-I585 HydrophobicContact CE-CG2 4.15Å; R581-I585 HydrophobicContact CG-CD1 3.72Å; R581-I585 HydrophobicContact CG-CG1 3.75Å; R581-I585 WeakPolarHBondContact O-CG1 3.4Å; R581-I585 PolarHBondContact O-N 2.98Å
586	R	85.4	Confident	92.9	Very high	126 Å²	126	33.4 Å²	33.4	48%	0.475	16%	0.161	S	C	.	.	I	π-helix	trans	-127.6	-54.4	179.4	-73.6	173.5	167.2	177.5	-5.6	113.6	D582	D582-R586 WeakPolarHBondContact O-CB 3.44Å; D582-R586 IonicContact OD1-CZ 2.67Å; D582-R586 IonicContact OD1-NH1 3.17Å; D582-R586 PolarHBondContact OD1-NH1 3.36Å; D582-R586 WeakPolarHBondContact OD2-CD 3.39Å; D582-R586 IonicContact OD2-CZ 3.33Å; D582-R586 IonicContact OD2-NE 3.67Å; D582-R586 IonicContact OD2-NH1 2.66Å; D582-R586 PolarHBondContact OD2-NH1 2.6Å
587	T	87.9	Confident	92.9	Very high	92 Å²	92	34.2 Å²	34.2	56%	0.564	17%	0.169	S	C	*	.	I	π-helix	trans	-97.5	-51.5	-168.3	53.6	0	0	0	0	112.5	D582 L583	D582-T587 PolarHBondContact O-N 2.92Å; D582-T587 PolarHBondContact O-OG1 3.35Å; L583-T587 WeakPolarHBondContact CA-OG1 3.36Å
588	H	92.8	Very high	92.9	Very high	18 Å²	18	37.6 Å²	37.6	8%	0.083	19%	0.192	C	C	.	.	S	Bend	trans	-105.6	1.8	-167.6	-70.4	68.1	0	0	0	114	Y517 N532 I535 L583 Q590 N591 I592	Y517-H588 HydrophobicContact CE1-CB 4.12Å; Y517-H588 WeakPolarHBondContact OH-CB 3.43Å; Y517-H588 PolarHBondContact OH-CD2 3.46Å; N532-H588 PolarHBondContact OD1-NE2 2.89Å; I535-H588 WeakPolarHBondContact CD1-CE1 3.38Å; I535-H588 WeakPolarHBondContact CD1-NE2 3.43Å; L583-H588 HydrophobicContact CD1-CB 3.83Å; L583-H588 HydrophobicContact CG-CB 4.36Å; L583-H588 PolarHBondContact O-N 2.79Å; H588-Q590 VanDerWaalsContact C-N 3.26Å; H588-Q590 PolarHBondContact O-N 2.92Å; H588-Q590 VanDerWaalsContact O-N 3.14Å; H588-N591 PolarHBondContact O-N 3.41Å; H588-I592 HydrophobicContact CB-CD1 4.21Å; H588-I592 HydrophobicContact CB-CG1 4.43Å; H588-I592 WeakPolarHBondContact O-CB 3.28Å; H588-I592 VanDerWaalsContact O-CG1 3.24Å; H588-I592 WeakPolarHBondContact O-CG1 3.38Å; H588-I592 PolarHBondContact O-N 2.94Å
589	M	91.6	Very high	93	Very high	26 Å²	26	39.6 Å²	39.6	13%	0.128	20%	0.201	C	C	.	.	H	α-helix	trans	-45.5	-48.5	179.5	175.9	-175.9	73.4	0	0	113.1	F341 L343 M400 K593	F341-M589 HydrophobicContact CB-CE 4.15Å; F341-M589 HydrophobicContact CB-SD 4.39Å; F341-M589 HydrophobicContact CD1-CE 3.8Å; F341-M589 HydrophobicContact CD2-CE 4.46Å; F341-M589 HydrophobicContact CE1-CE 4.34Å; F341-M589 HydrophobicContact CG-CE 3.87Å; L343-M589 HydrophobicContact CD1-CG 4.17Å; L343-M589 HydrophobicContact CD2-CG 3.99Å; L343-M589 HydrophobicContact CD2-SD 4.37Å; L343-M589 HydrophobicContact CG-CG 4.5Å; M400-M589 HydrophobicContact SD-SD 3.37Å; M589-K593 PolarHBondContact O-N 3.16Å; M589-K593 VanDerWaalsContact O-N 3.08Å
590	Q	91.6	Very high	93.1	Very high	80 Å²	80	35.5 Å²	35.5	37%	0.374	19%	0.185	S	C	.	.	H	α-helix	trans	-72.4	-49.3	-173.8	-172.7	53	50.6	0	0	111	H588 I592 K593 D594	H588-Q590 VanDerWaalsContact C-N 3.26Å; H588-Q590 PolarHBondContact O-N 2.92Å; H588-Q590 VanDerWaalsContact O-N 3.14Å; Q590-I592 VanDerWaalsContact C-N 3.3Å; Q590-I592 PolarHBondContact O-N 3.11Å; Q590-K593 CarbonylContact O-C 3.54Å; Q590-K593 WeakPolarHBondContact O-CA 3.39Å; Q590-K593 WeakPolarHBondContact O-CB 3.33Å; Q590-K593 PolarHBondContact O-N 3.26Å; Q590-D594 WeakPolarHBondContact CG-OD2 3.32Å; Q590-D594 PolarHBondContact NE2-OD1 2.86Å; Q590-D594 PolarHBondContact NE2-OD2 2.98Å; Q590-D594 PolarHBondContact O-N 2.84Å
591	N	94.3	Very high	93.2	Very high	30 Å²	30	35.5 Å²	35.5	16%	0.16	19%	0.185	C	C	.	.	H	α-helix	trans	-57.3	-40	175	179.1	-86.1	0	0	0	112.6	Y517 H588 K593 D594 I595	Y517-N591 WeakPolarHBondContact CE2-OD1 3.16Å; Y517-N591 PolarHBondContact OH-OD1 3.44Å; H588-N591 PolarHBondContact O-N 3.41Å; N591-K593 PolarHBondContact O-N 3.26Å; N591-D594 PolarHBondContact O-N 3.15Å; N591-I595 PolarHBondContact O-N 2.8Å; N591-I595 VanDerWaalsContact OD1-CD1 3.28Å; N591-I595 WeakPolarHBondContact OD1-CD1 3.42Å
592	I	96	Very high	93.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-57.7	-46.7	170.5	-69	169.1	0	0	0	111	H453 C454 N482 Y517 L584 H588 Q590 T596	H453-I592 HydrophobicContact CB-CG2 4.11Å; H453-I592 WeakPolarHBondContact O-CG2 3.49Å; C454-I592 HydrophobicContact CB-CG2 4.01Å; N482-I592 PolarHBondContact ND2-O 2.76Å; Y517-I592 HydrophobicContact CD1-CD1 4.23Å; Y517-I592 HydrophobicContact CD1-CG1 4.01Å; Y517-I592 HydrophobicContact CD2-CG1 4.32Å; Y517-I592 HydrophobicContact CE1-CD1 3.76Å; Y517-I592 HydrophobicContact CE1-CG1 3.43Å; Y517-I592 VanDerWaalsContact CE1-CG1 3.43Å; Y517-I592 HydrophobicContact CE2-CG1 3.81Å; Y517-I592 HydrophobicContact CG-CG1 4.43Å; L584-I592 HydrophobicContact CD2-CD1 4.29Å; H588-I592 HydrophobicContact CB-CD1 4.21Å; H588-I592 HydrophobicContact CB-CG1 4.43Å; H588-I592 WeakPolarHBondContact O-CB 3.28Å; H588-I592 VanDerWaalsContact O-CG1 3.24Å; H588-I592 WeakPolarHBondContact O-CG1 3.38Å; H588-I592 PolarHBondContact O-N 2.94Å; Q590-I592 VanDerWaalsContact C-N 3.3Å; Q590-I592 PolarHBondContact O-N 3.11Å; I592-T596 WeakPolarHBondContact O-CB 3.31Å; I592-T596 PolarHBondContact O-N 3.31Å; I592-T596 VanDerWaalsContact O-N 3.08Å; I592-T596 PolarHBondContact O-OG1 2.97Å
593	K	94.8	Very high	93.6	Very high	27 Å²	27	39.5 Å²	39.5	12%	0.117	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-42.6	176.2	-78.3	-163.9	64.3	79.1	0	112.2	E342 L343 D449 H453 M589 Q590 N591 T596 S597	E342-K593 WeakPolarHBondContact O-CD 3.38Å; E342-K593 PolarHBondContact O-NZ 2.8Å; L343-K593 HydrophobicContact CD1-CG 4.42Å; D449-K593 IonicContact OD2-NZ 3.94Å; D449-K593 PolarHBondContact OD2-NZ 3.34Å; H453-K593 PolarHBondContact CE1-NZ 3.17Å; H453-K593 PolarHBondContact NE2-NZ 3.03Å; M589-K593 PolarHBondContact O-N 3.16Å; M589-K593 VanDerWaalsContact O-N 3.08Å; Q590-K593 CarbonylContact O-C 3.54Å; Q590-K593 WeakPolarHBondContact O-CA 3.39Å; Q590-K593 WeakPolarHBondContact O-CB 3.33Å; Q590-K593 PolarHBondContact O-N 3.26Å; N591-K593 PolarHBondContact O-N 3.26Å; K593-T596 VanDerWaalsContact O-CB 3.31Å; K593-T596 WeakPolarHBondContact O-CB 3.32Å; K593-T596 PolarHBondContact O-N 3Å; K593-S597 PolarHBondContact O-N 2.86Å
594	D	94.9	Very high	93.7	Very high	78 Å²	78	40 Å²	40	42%	0.417	21%	0.206	S	C	.	.	H	α-helix	trans	-68.4	-45.8	-174.8	-65.2	-39.3	0	0	0	110.8	Q590 N591 T596 S597 S598	Q590-D594 WeakPolarHBondContact CG-OD2 3.32Å; Q590-D594 PolarHBondContact NE2-OD1 2.86Å; Q590-D594 PolarHBondContact NE2-OD2 2.98Å; Q590-D594 PolarHBondContact O-N 2.84Å; N591-D594 PolarHBondContact O-N 3.15Å; D594-T596 VanDerWaalsContact C-N 3.29Å; D594-T596 PolarHBondContact O-N 2.79Å; D594-S597 CarbonylContact O-C 3.56Å; D594-S597 PolarHBondContact O-N 2.76Å; D594-S598 WeakPolarHBondContact O-CB 3.46Å; D594-S598 PolarHBondContact O-N 3.21Å; D594-S598 PolarHBondContact O-OG 2.84Å
595	I	95.8	Very high	93.9	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.036	22%	0.216	C	C	.	.	H	α-helix	trans	-61.1	-36.5	171.7	-69	157.7	0	0	0	112	N482 Y517 F522 N591 S597 I599 H600	N482-I595 WeakPolarHBondContact OD1-CG2 3.35Å; Y517-I595 HydrophobicContact CD2-CD1 4.4Å; Y517-I595 HydrophobicContact CE2-CD1 3.8Å; F522-I595 HydrophobicContact CB-CD1 4.01Å; F522-I595 HydrophobicContact CB-CG1 4.37Å; F522-I595 HydrophobicContact CD2-CD1 3.84Å; F522-I595 HydrophobicContact CD2-CG1 3.99Å; F522-I595 HydrophobicContact CD2-CG2 3.97Å; F522-I595 HydrophobicContact CE2-CG2 3.96Å; F522-I595 HydrophobicContact CG-CD1 4.31Å; F522-I595 HydrophobicContact CG-CG1 4.37Å; N591-I595 PolarHBondContact O-N 2.8Å; N591-I595 VanDerWaalsContact OD1-CD1 3.28Å; N591-I595 WeakPolarHBondContact OD1-CD1 3.42Å; I595-S597 VanDerWaalsContact C-N 3.28Å; I595-S597 PolarHBondContact O-N 3.34Å; I595-I599 HydrophobicContact CB-CD1 4.28Å; I595-I599 HydrophobicContact CG1-CD1 4.09Å; I595-I599 HydrophobicContact CG2-CB 4.4Å; I595-I599 HydrophobicContact CG2-CD1 3.94Å; I595-I599 WeakPolarHBondContact O-CB 3.46Å; I595-I599 PolarHBondContact O-N 3.33Å; I595-I599 VanDerWaalsContact O-N 3.12Å; I595-H600 PolarHBondContact O-N 3.27Å
596	T	97	Very high	94.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.	I	π-helix	trans	-59.4	-41.9	173.1	-53.8	0	0	0	0	111.1	Y431 I452 H453 N482 I592 K593 D594 Y601	Y431-T596 HydrophobicContact CE1-CG2 4.33Å; I452-T596 WeakPolarHBondContact O-CG2 3.48Å; H453-T596 VanDerWaalsContact CA-OG1 3.32Å; H453-T596 WeakPolarHBondContact CA-OG1 3.44Å; H453-T596 PolarHBondContact O-OG1 2.92Å; N482-T596 PolarHBondContact ND2-OG1 2.78Å; N482-T596 VanDerWaalsContact ND2-OG1 3.15Å; I592-T596 WeakPolarHBondContact O-CB 3.31Å; I592-T596 PolarHBondContact O-N 3.31Å; I592-T596 VanDerWaalsContact O-N 3.08Å; I592-T596 PolarHBondContact O-OG1 2.97Å; K593-T596 VanDerWaalsContact O-CB 3.31Å; K593-T596 WeakPolarHBondContact O-CB 3.32Å; K593-T596 PolarHBondContact O-N 3Å; D594-T596 VanDerWaalsContact C-N 3.29Å; D594-T596 PolarHBondContact O-N 2.79Å; T596-Y601 VanDerWaalsContact O-CB 3.24Å; T596-Y601 WeakPolarHBondContact O-CB 3.35Å; T596-Y601 PolarHBondContact O-N 3.49Å
597	S	95.7	Very high	94.6	Very high	39 Å²	39	44.4 Å²	44.4	27%	0.273	23%	0.229	S	C	.	.	I	π-helix	trans	-86.1	-32	-175.1	-159.5	0	0	0	0	114.3	R451 K593 D594 I595	R451-S597 PolarHBondContact NH1-OG 3.18Å; R451-S597 PolarHBondContact NH2-OG 2.71Å; K593-S597 PolarHBondContact O-N 2.86Å; D594-S597 CarbonylContact O-C 3.56Å; D594-S597 PolarHBondContact O-N 2.76Å; I595-S597 VanDerWaalsContact C-N 3.28Å; I595-S597 PolarHBondContact O-N 3.34Å
598	S	95.8	Very high	94.8	Very high	71 Å²	71	43.5 Å²	43.5	50%	0.497	22%	0.215	S	C	.	.	I	π-helix	trans	-94	-23.7	-174.4	66.8	0	0	0	0	114.1	D594	D594-S598 WeakPolarHBondContact O-CB 3.46Å; D594-S598 PolarHBondContact O-N 3.21Å; D594-S598 PolarHBondContact O-OG 2.84Å
599	I	95.1	Very high	94.7	Very high	52 Å²	52	45.6 Å²	45.6	27%	0.267	23%	0.227	S	C	.	.	I	π-helix	trans	-118.6	-62.5	-174.4	-68.8	144.5	0	0	0	110.6	F522 I595 M603	F522-I599 HydrophobicContact CD1-CD1 3.74Å; F522-I599 HydrophobicContact CD2-CD1 3.99Å; F522-I599 HydrophobicContact CE1-CD1 3.57Å; F522-I599 HydrophobicContact CE1-CG1 4.31Å; F522-I599 HydrophobicContact CE2-CD1 3.8Å; F522-I599 HydrophobicContact CE2-CG2 4.45Å; F522-I599 HydrophobicContact CG-CD1 4Å; F522-I599 HydrophobicContact CZ-CD1 3.62Å; F522-I599 HydrophobicContact CZ-CG1 4.27Å; F522-I599 HydrophobicContact CZ-CG2 3.99Å; I595-I599 HydrophobicContact CB-CD1 4.28Å; I595-I599 HydrophobicContact CG1-CD1 4.09Å; I595-I599 HydrophobicContact CG2-CB 4.4Å; I595-I599 HydrophobicContact CG2-CD1 3.94Å; I595-I599 WeakPolarHBondContact O-CB 3.46Å; I595-I599 PolarHBondContact O-N 3.33Å; I595-I599 VanDerWaalsContact O-N 3.12Å; I599-M603 WeakPolarHBondContact O-CB 3.14Å; I599-M603 PolarHBondContact O-N 2.63Å
600	H	96.2	Very high	94.6	Very high	5 Å²	5	48.9 Å²	48.9	2%	0.023	25%	0.245	C	C	.	.	I	π-helix	trans	-68.2	-47.9	-174.7	-64.1	-69.4	0	0	0	112.2	Y431 S478 V481 N482 I595 Y604	Y431-H600 WeakPolarHBondContact OH-CB 3.48Å; S478-H600 PolarHBondContact O-CE1 2.93Å; V481-H600 PolarHBondContact N-ND1 3.39Å; N482-H600 PolarHBondContact OD1-CD2 2.94Å; N482-H600 PolarHBondContact OD1-NE2 3.12Å; I595-H600 PolarHBondContact O-N 3.27Å; H600-Y604 PolarHBondContact O-N 2.98Å; H600-Y604 VanDerWaalsContact O-N 3.15Å
601	Y	97.4	Very high	94.4	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-67.7	-46.1	177.1	174.3	-108.2	0	0	0	112.8	Y431 Y434 L435 E438 T596 M603 Y604 R605	Y431-Y601 AromaticContact CD1-CD2 3.79Å; Y431-Y601 HydrophobicContact CD1-CD2 3.79Å; Y431-Y601 HydrophobicContact CD1-CG 4.49Å; Y431-Y601 HydrophobicContact CG-CD2 4.37Å; Y434-Y601 HydrophobicContact CD1-CD2 4.38Å; Y434-Y601 HydrophobicContact CD1-CE1 4.14Å; Y434-Y601 AromaticContact CD1-CE2 3.67Å; Y434-Y601 HydrophobicContact CD1-CE2 3.67Å; Y434-Y601 AromaticContact CD1-CZ 3.54Å; Y434-Y601 HydrophobicContact CE1-CE1 4.06Å; Y434-Y601 HydrophobicContact CE1-CE2 4.4Å; Y434-Y601 AromaticContact CE1-CZ 3.91Å; Y434-Y601 HydrophobicContact CG-CE2 4.49Å; L435-Y601 WeakPolarHBondContact CA-OH 3.32Å; L435-Y601 HydrophobicContact CB-CE2 4.3Å; L435-Y601 WeakPolarHBondContact CD1-OH 3.43Å; E438-Y601 WeakPolarHBondContact OE2-CE1 3.34Å; E438-Y601 PolarHBondContact OE2-OH 2.87Å; T596-Y601 VanDerWaalsContact O-CB 3.24Å; T596-Y601 WeakPolarHBondContact O-CB 3.35Å; T596-Y601 PolarHBondContact O-N 3.49Å; Y601-M603 VanDerWaalsContact C-N 3.35Å; Y601-M603 PolarHBondContact O-N 2.67Å; Y601-Y604 WeakPolarHBondContact O-CA 3.47Å; Y601-Y604 WeakPolarHBondContact O-CB 3.44Å; Y601-Y604 PolarHBondContact O-N 3.17Å; Y601-Y604 VanDerWaalsContact O-N 3.1Å; Y601-R605 WeakPolarHBondContact O-CB 3.29Å; Y601-R605 PolarHBondContact O-N 2.67Å
602	E	96.1	Very high	93.5	Very high	62 Å²	62	50.9 Å²	50.9	29%	0.29	26%	0.255	S	S	.	.	H	α-helix	trans	-65.3	-36.9	179.5	-73.2	-61.5	128.6	0	0	112.1	Y604 R605 V606	E602-Y604 VanDerWaalsContact C-N 3.32Å; E602-Y604 PolarHBondContact O-N 2.87Å; E602-R605 PolarHBondContact O-N 3.05Å; E602-R605 VanDerWaalsContact OE1-CD 3.28Å; E602-R605 WeakPolarHBondContact OE1-CD 3.32Å; E602-R605 IonicContact OE1-CZ 2.71Å; E602-R605 IonicContact OE1-NE 2.8Å; E602-R605 IonicContact OE1-NH1 3.17Å; E602-R605 PolarHBondContact OE1-NH1 2.74Å; E602-R605 WeakPolarHBondContact OE2-CD 3.5Å; E602-R605 IonicContact OE2-NE 2.67Å; E602-R605 IonicContact OE2-NH1 3.6Å; E602-V606 WeakPolarHBondContact O-CB 3.28Å; E602-V606 WeakPolarHBondContact O-CG2 3.48Å; E602-V606 PolarHBondContact O-N 2.88Å
603	M	94.8	Very high	92.4	Very high	80 Å²	80	55.9 Å²	55.9	39%	0.394	28%	0.282	S	S	.	.	H	α-helix	trans	-62.6	-37.6	171.2	175.5	172.4	44.3	0	0	112.3	K479 I599 Y601 R607	K479-M603 WeakPolarHBondContact O-CE 3.33Å; I599-M603 WeakPolarHBondContact O-CB 3.14Å; I599-M603 PolarHBondContact O-N 2.63Å; Y601-M603 VanDerWaalsContact C-N 3.35Å; Y601-M603 PolarHBondContact O-N 2.67Å; M603-R607 WeakPolarHBondContact O-CB 3.4Å; M603-R607 PolarHBondContact O-N 2.82Å
604	Y	96.1	Very high	91.1	Very high	14 Å²	14	58.4 Å²	58.4	6%	0.055	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-48.6	173.4	-179.4	-88.5	0	0	0	111.5	N428 Y431 E432 L435 H600 Y601 E602 R607 R608	N428-Y604 HydrophobicContact CB-CE2 3.86Å; N428-Y604 PolarHBondContact O-OH 2.93Å; Y431-Y604 VanDerWaalsContact CB-CD1 3.48Å; Y431-Y604 HydrophobicContact CD2-CD2 4.1Å; Y431-Y604 HydrophobicContact CD2-CG 4.09Å; Y431-Y604 HydrophobicContact CG-CD1 4.38Å; Y431-Y604 HydrophobicContact CG-CG 4.2Å; E432-Y604 PolarHBondContact OE2-OH 3.09Å; L435-Y604 HydrophobicContact CD2-CE1 4.35Å; H600-Y604 PolarHBondContact O-N 2.98Å; H600-Y604 VanDerWaalsContact O-N 3.15Å; Y601-Y604 WeakPolarHBondContact O-CA 3.47Å; Y601-Y604 WeakPolarHBondContact O-CB 3.44Å; Y601-Y604 PolarHBondContact O-N 3.17Å; Y601-Y604 VanDerWaalsContact O-N 3.1Å; E602-Y604 VanDerWaalsContact C-N 3.32Å; E602-Y604 PolarHBondContact O-N 2.87Å; Y604-R607 WeakPolarHBondContact O-CB 3.4Å; Y604-R607 PolarHBondContact O-N 3.23Å; Y604-R608 HydrophobicContact CD1-CG 4.1Å; Y604-R608 HydrophobicContact CE1-CG 3.52Å; Y604-R608 WeakPolarHBondContact O-CB 3.27Å; Y604-R608 PolarHBondContact O-N 3.45Å; Y604-R608 PolarHBondContact OH-NH1 3.24Å; Y604-R608 VanDerWaalsContact OH-NH1 3.13Å
605	R	95.8	Very high	89.5	Confident	62 Å²	62	57.3 Å²	57.3	23%	0.234	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-50.9	178.9	176.4	-161.9	-172.9	138.4	14	112.4	L435 E438 Y601 E602 R607 R608 L609	L435-R605 HydrophobicContact CD1-CB 4.48Å; L435-R605 HydrophobicContact CD1-CG 3.94Å; E438-R605 IonicContact OE1-CZ 3.92Å; E438-R605 IonicContact OE1-NH1 3.78Å; E438-R605 PolarHBondContact OE1-NH1 2.84Å; E438-R605 IonicContact OE1-NH2 3.75Å; E438-R605 PolarHBondContact OE1-NH2 3.46Å; E438-R605 IonicContact OE2-CZ 2.78Å; E438-R605 IonicContact OE2-NH1 3.98Å; E438-R605 PolarHBondContact OE2-NH1 3.35Å; E438-R605 IonicContact OE2-NH2 3.29Å; Y601-R605 WeakPolarHBondContact O-CB 3.29Å; Y601-R605 PolarHBondContact O-N 2.67Å; E602-R605 PolarHBondContact O-N 3.05Å; E602-R605 VanDerWaalsContact OE1-CD 3.28Å; E602-R605 WeakPolarHBondContact OE1-CD 3.32Å; E602-R605 IonicContact OE1-CZ 2.71Å; E602-R605 IonicContact OE1-NE 2.8Å; E602-R605 IonicContact OE1-NH1 3.17Å; E602-R605 PolarHBondContact OE1-NH1 2.74Å; E602-R605 WeakPolarHBondContact OE2-CD 3.5Å; E602-R605 IonicContact OE2-NE 2.67Å; E602-R605 IonicContact OE2-NH1 3.6Å; R605-R607 VanDerWaalsContact C-N 3.29Å; R605-R607 PolarHBondContact O-N 2.86Å; R605-R608 PolarHBondContact O-N 3.28Å; R605-L609 HydrophobicContact CG-CD1 3.86Å; R605-L609 HydrophobicContact CG-CG 4.4Å; R605-L609 WeakPolarHBondContact O-CB 3.4Å; R605-L609 WeakPolarHBondContact O-CG 3.17Å; R605-L609 PolarHBondContact O-N 3.26Å
606	V	94.8	Very high	87.8	Confident	77 Å²	77	60.7 Å²	60.7	47%	0.467	32%	0.322	S	S	.	.	H	α-helix	trans	-60	-41.7	178.8	169.1	0	0	0	0	110.6	E602 N610	E602-V606 WeakPolarHBondContact O-CB 3.28Å; E602-V606 WeakPolarHBondContact O-CG2 3.48Å; E602-V606 PolarHBondContact O-N 2.88Å; V606-N610 WeakPolarHBondContact O-CB 3.39Å; V606-N610 PolarHBondContact O-N 3Å; V606-N610 VanDerWaalsContact O-N 3.12Å; V606-N610 PolarHBondContact O-ND2 3.19Å
607	R	93	Very high	85.8	Confident	109 Å²	109	63 Å²	63	41%	0.411	34%	0.341	S	S	.	.	H	α-helix	trans	-61.5	-50.1	174.2	-168	-171.1	-57.9	133.2	7.8	111.4	M603 Y604 R605 N610 E611	M603-R607 WeakPolarHBondContact O-CB 3.4Å; M603-R607 PolarHBondContact O-N 2.82Å; Y604-R607 WeakPolarHBondContact O-CB 3.4Å; Y604-R607 PolarHBondContact O-N 3.23Å; R605-R607 VanDerWaalsContact C-N 3.29Å; R605-R607 PolarHBondContact O-N 2.86Å; R607-N610 PolarHBondContact O-N 3.04Å; R607-E611 WeakPolarHBondContact CD-OE1 3.26Å; R607-E611 WeakPolarHBondContact CG-OE1 3.42Å; R607-E611 WeakPolarHBondContact O-CB 3.33Å; R607-E611 WeakPolarHBondContact O-CG 3.21Å; R607-E611 PolarHBondContact O-N 2.87Å
608	R	92.4	Very high	83.9	Confident	74 Å²	74	67.5 Å²	67.5	28%	0.279	36%	0.358	S	S	.	.	H	α-helix	trans	-59.5	-45.4	179	-94	-65.5	118.4	108.7	-5.4	113.7	E432 L435 Y604 R605 N610 E611 N612	E432-R608 WeakPolarHBondContact OE2-CD 3.29Å; E432-R608 IonicContact OE2-CZ 3.82Å; E432-R608 IonicContact OE2-NE 3.96Å; E432-R608 IonicContact OE2-NH1 2.68Å; E432-R608 PolarHBondContact OE2-NH1 2.93Å; L435-R608 HydrophobicContact CD2-CB 3.73Å; L435-R608 HydrophobicContact CD2-CG 3.99Å; Y604-R608 HydrophobicContact CD1-CG 4.1Å; Y604-R608 HydrophobicContact CE1-CG 3.52Å; Y604-R608 WeakPolarHBondContact O-CB 3.27Å; Y604-R608 PolarHBondContact O-N 3.45Å; Y604-R608 PolarHBondContact OH-NH1 3.24Å; Y604-R608 VanDerWaalsContact OH-NH1 3.13Å; R605-R608 PolarHBondContact O-N 3.28Å; R608-N610 VanDerWaalsContact C-N 3.32Å; R608-N610 PolarHBondContact O-N 2.73Å; R608-E611 IonicContact CZ-OE2 2.63Å; R608-E611 VanDerWaalsContact CZ-OE2 3.22Å; R608-E611 IonicContact NE-OE2 2.74Å; R608-E611 PolarHBondContact NE-OE2 3.27Å; R608-E611 IonicContact NH2-OE2 3.26Å; R608-E611 PolarHBondContact NH2-OE2 2.89Å; R608-E611 PolarHBondContact O-N 3.45Å; R608-N612 WeakPolarHBondContact O-CB 3.26Å; R608-N612 PolarHBondContact O-N 3.45Å; R608-N612 PolarHBondContact O-ND2 3.06Å
609	L	89.6	Confident	82	Confident	62 Å²	62	68.1 Å²	68.1	33%	0.325	37%	0.367	S	S	.	.	H	α-helix	trans	-67.8	-35	179.8	-67.3	175.1	0	0	0	111.4	I439 R605 N613	I439-L609 HydrophobicContact CD1-CD2 4.25Å; R605-L609 HydrophobicContact CG-CD1 3.86Å; R605-L609 HydrophobicContact CG-CG 4.4Å; R605-L609 WeakPolarHBondContact O-CB 3.4Å; R605-L609 WeakPolarHBondContact O-CG 3.17Å; R605-L609 PolarHBondContact O-N 3.26Å; L609-N613 WeakPolarHBondContact O-CB 3.37Å; L609-N613 PolarHBondContact O-N 3.44Å; L609-N613 PolarHBondContact O-ND2 2.87Å
610	N	89.8	Confident	79.9	Confident	95 Å²	95	71.5 Å²	71.5	51%	0.508	39%	0.386	S	S	.	.	H	α-helix	trans	-70.1	-43.4	173.4	-69.8	-11.8	0	0	0	112.2	V606 R607 R608 N612 N613 T614	V606-N610 WeakPolarHBondContact O-CB 3.39Å; V606-N610 PolarHBondContact O-N 3Å; V606-N610 VanDerWaalsContact O-N 3.12Å; V606-N610 PolarHBondContact O-ND2 3.19Å; R607-N610 PolarHBondContact O-N 3.04Å; R608-N610 VanDerWaalsContact C-N 3.32Å; R608-N610 PolarHBondContact O-N 2.73Å; N610-N612 VanDerWaalsContact C-N 3.33Å; N610-N612 PolarHBondContact O-N 3.35Å; N610-N613 PolarHBondContact O-N 3.32Å; N610-T614 PolarHBondContact O-N 2.83Å; N610-T614 PolarHBondContact O-OG1 3.49Å
611	E	87.1	Confident	77.7	Confident	77 Å²	77	74.1 Å²	74.1	36%	0.36	41%	0.414	S	S	.	.	H	α-helix	trans	-56.8	-44.5	172.5	-75.2	170.5	-169.9	0	0	111.5	R607 R608 T614 A615	R607-E611 WeakPolarHBondContact CD-OE1 3.26Å; R607-E611 WeakPolarHBondContact CG-OE1 3.42Å; R607-E611 WeakPolarHBondContact O-CB 3.33Å; R607-E611 WeakPolarHBondContact O-CG 3.21Å; R607-E611 PolarHBondContact O-N 2.87Å; R608-E611 IonicContact CZ-OE2 2.63Å; R608-E611 VanDerWaalsContact CZ-OE2 3.22Å; R608-E611 IonicContact NE-OE2 2.74Å; R608-E611 PolarHBondContact NE-OE2 3.27Å; R608-E611 IonicContact NH2-OE2 3.26Å; R608-E611 PolarHBondContact NH2-OE2 2.89Å; R608-E611 PolarHBondContact O-N 3.45Å; E611-T614 PolarHBondContact O-OG1 2.91Å; E611-A615 WeakPolarHBondContact O-CB 3.31Å; E611-A615 PolarHBondContact O-N 3.39Å
612	N	75.2	Confident	75.2	Confident	74 Å²	74	79.1 Å²	79.1	40%	0.396	45%	0.445	S	S	.	.	H	α-helix	trans	-67.5	-41.6	177.5	-70.2	-12.4	0	0	0	112	R608 N610 A615 V616	R608-N612 WeakPolarHBondContact O-CB 3.26Å; R608-N612 PolarHBondContact O-N 3.45Å; R608-N612 PolarHBondContact O-ND2 3.06Å; N610-N612 VanDerWaalsContact C-N 3.33Å; N610-N612 PolarHBondContact O-N 3.35Å; N612-A615 PolarHBondContact O-N 3.01Å; N612-V616 WeakPolarHBondContact O-CB 3.34Å; N612-V616 VanDerWaalsContact O-CG2 3.31Å; N612-V616 WeakPolarHBondContact O-CG2 3.46Å; N612-V616 PolarHBondContact O-N 3.35Å
613	N	72.6	Confident	72.7	Confident	107 Å²	107	80.9 Å²	80.9	57%	0.572	46%	0.462	S	S	*	.	H	α-helix	trans	-64.5	-39.2	177.6	-76.8	-17.2	0	0	0	112.3	L609 N610 V616 A617	L609-N613 WeakPolarHBondContact O-CB 3.37Å; L609-N613 PolarHBondContact O-N 3.44Å; L609-N613 PolarHBondContact O-ND2 2.87Å; N610-N613 PolarHBondContact O-N 3.32Å; N613-V616 PolarHBondContact O-N 3.24Å; N613-A617 WeakPolarHBondContact O-CB 3.06Å; N613-A617 PolarHBondContact O-N 2.89Å
614	T	68.5	Low	70.1	Confident	79 Å²	79	84.8 Å²	84.8	49%	0.485	48%	0.479	S	S	.	.	H	α-helix	trans	-70	-40.1	174.9	53.1	0	0	0	0	111.7	N610 E611 V616 A617 H618	N610-T614 PolarHBondContact O-N 2.83Å; N610-T614 PolarHBondContact O-OG1 3.49Å; E611-T614 PolarHBondContact O-OG1 2.91Å; T614-V616 VanDerWaalsContact C-N 3.31Å; T614-V616 PolarHBondContact O-N 2.71Å; T614-A617 WeakPolarHBondContact O-CB 3.22Å; T614-A617 PolarHBondContact O-N 2.8Å; T614-A617 VanDerWaalsContact O-N 3.15Å; T614-H618 PolarHBondContact O-CD2 3.3Å; T614-H618 PolarHBondContact O-N 3.39Å
615	A	61.4	Low	67.3	Low	55 Å²	55	92.5 Å²	92.5	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-59	-41.5	173.1	0	0	0	0	0	112.3	E611 N612 A619	E611-A615 WeakPolarHBondContact O-CB 3.31Å; E611-A615 PolarHBondContact O-N 3.39Å; N612-A615 PolarHBondContact O-N 3.01Å; A615-A619 WeakPolarHBondContact O-CB 3.33Å; A615-A619 PolarHBondContact O-N 2.69Å
616	V	59.3	Low	64.4	Low	78 Å²	78	96.6 Å²	96.6	47%	0.473	54%	0.537	S	S	.	.	H	α-helix	trans	-68.1	-36.1	174.5	170.4	0	0	0	0	112	N612 N613 T614 A619 N620	N612-V616 WeakPolarHBondContact O-CB 3.34Å; N612-V616 VanDerWaalsContact O-CG2 3.31Å; N612-V616 WeakPolarHBondContact O-CG2 3.46Å; N612-V616 PolarHBondContact O-N 3.35Å; N613-V616 PolarHBondContact O-N 3.24Å; T614-V616 VanDerWaalsContact C-N 3.31Å; T614-V616 PolarHBondContact O-N 2.71Å; V616-A619 PolarHBondContact O-N 2.87Å; V616-N620 WeakPolarHBondContact CG1-ND2 3.34Å; V616-N620 VanDerWaalsContact O-CB 3.32Å; V616-N620 WeakPolarHBondContact O-CB 3.24Å; V616-N620 VanDerWaalsContact O-CG 3.31Å; V616-N620 PolarHBondContact O-N 3.3Å; V616-N620 PolarHBondContact O-ND2 2.71Å
617	A	55.9	Low	61.6	Low	48 Å²	48	101.2 Å²	101.2	40%	0.397	56%	0.558	S	S	.	*	H	α-helix	trans	-64.4	-43.3	174.9	0	0	0	0	0	112.3	N613 T614 N620	N613-A617 WeakPolarHBondContact O-CB 3.06Å; N613-A617 PolarHBondContact O-N 2.89Å; T614-A617 WeakPolarHBondContact O-CB 3.22Å; T614-A617 PolarHBondContact O-N 2.8Å; T614-A617 VanDerWaalsContact O-N 3.15Å; A617-N620 PolarHBondContact O-N 2.72Å
618	H	55.4	Low	58.9	Low	135 Å²	135	100.8 Å²	100.8	63%	0.625	57%	0.567	S	S	*	*	H	α-helix	trans	-67.1	-37.6	173.7	-69.1	-66.5	0	0	0	112.2	T614 N620 G621	T614-H618 PolarHBondContact O-CD2 3.3Å; T614-H618 PolarHBondContact O-N 3.39Å; H618-N620 VanDerWaalsContact C-N 3.34Å; H618-N620 PolarHBondContact O-N 2.66Å; H618-G621 PolarHBondContact O-N 3.05Å
619	A	55.1	Low	56.2	Low	84 Å²	84	101.6 Å²	101.6	69%	0.694	59%	0.59	S	S	*	*	H	α-helix	trans	-67.9	-31.1	176.2	0	0	0	0	0	113.3	A615 V616 G621	A615-A619 WeakPolarHBondContact O-CB 3.33Å; A615-A619 PolarHBondContact O-N 2.69Å; V616-A619 PolarHBondContact O-N 2.87Å; A619-G621 VanDerWaalsContact C-N 3.28Å; A619-G621 PolarHBondContact O-N 2.74Å
620	N	50.7	Low	53.5	Low	123 Å²	123	106.8 Å²	106.8	66%	0.658	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	10.1	179.1	-73.4	-23.1	0	0	0	114.2	V616 A617 H618 V622	V616-N620 WeakPolarHBondContact CG1-ND2 3.34Å; V616-N620 VanDerWaalsContact O-CB 3.32Å; V616-N620 WeakPolarHBondContact O-CB 3.24Å; V616-N620 VanDerWaalsContact O-CG 3.31Å; V616-N620 PolarHBondContact O-N 3.3Å; V616-N620 PolarHBondContact O-ND2 2.71Å; A617-N620 PolarHBondContact O-N 2.72Å; H618-N620 VanDerWaalsContact C-N 3.34Å; H618-N620 PolarHBondContact O-N 2.66Å; N620-V622 PolarHBondContact O-N 3.02Å
621	G	50.5	Low	50.9	Low	60 Å²	60	110.3 Å²	110.3	62%	0.619	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.4	29.3	164.3	0	0	0	0	0	115.8	H618 A619 P623	H618-G621 PolarHBondContact O-N 3.05Å; A619-G621 VanDerWaalsContact C-N 3.28Å; A619-G621 PolarHBondContact O-N 2.74Å; G621-P623 WeakPolarHBondContact O-CD 3.43Å
622	V	45.3	Very low	48.4	Very low	107 Å²	107	119.4 Å²	119.4	65%	0.648	67%	0.671	S	S	*	*			trans	-68.6	119.9	169.3	-174.8	0	0	0	0	108.2	N620	N620-V622 PolarHBondContact O-N 3.02Å
623	P	42.6	Very low	47	Very low	99 Å²	99	121.7 Å²	121.7	64%	0.643	69%	0.685	S	S	*	*			trans	-69.1	135.7	-177	27.6	-34.2	0	0	0	111	G621 H625	G621-P623 WeakPolarHBondContact O-CD 3.43Å; P623-H625 PolarHBondContact O-N 2.95Å
624	E	41.2	Very low	45.7	Very low	162 Å²	162	122.5 Å²	122.5	76%	0.757	69%	0.691	S	S	*	*			trans	-65.3	104.6	172.6	-68.7	-170.8	143.7	0	0	110.1	H626	E624-H626 PolarHBondContact O-N 2.91Å
625	H	37.3	Very low	44.4	Very low	175 Å²	175	124.9 Å²	124.9	81%	0.81	70%	0.703	S	S	*	*			trans	-72.2	96.7	167.4	-108.5	-75.5	0	0	0	109.4	P623 L627	P623-H625 PolarHBondContact O-N 2.95Å; H625-L627 PolarHBondContact O-N 2.96Å; H625-L627 VanDerWaalsContact O-N 3.09Å
626	H	34.7	Very low	43.4	Very low	149 Å²	149	129 Å²	129	69%	0.69	72%	0.717	S	S	*	*			trans	-46.4	110.3	175.5	-135	-93.7	0	0	0	111.3	E624 T628	E624-H626 PolarHBondContact O-N 2.91Å; H626-T628 WeakPolarHBondContact ND1-CG2 3.35Å; H626-T628 PolarHBondContact ND1-OG1 2.99Å
627	L	35.4	Very low	42.4	Very low	174 Å²	174	132.2 Å²	132.2	91%	0.911	73%	0.732	S	S	*	*			trans	-108.7	77.6	168.6	-79.1	175.4	0	0	0	109.4	H625	H625-L627 PolarHBondContact O-N 2.96Å; H625-L627 VanDerWaalsContact O-N 3.09Å
628	T	36.9	Very low	41.5	Very low	100 Å²	100	137.8 Å²	137.8	61%	0.613	76%	0.755	S	S	*	*			trans	-107.9	141.4	169.9	41.9	0	0	0	0	110.1	H626	H626-T628 WeakPolarHBondContact ND1-CG2 3.35Å; H626-T628 PolarHBondContact ND1-OG1 2.99Å
629	A	36.2	Very low	40.5	Very low	91 Å²	91	138 Å²	138	75%	0.752	76%	0.764	S	S	*	*			trans	73.6	150.7	-173.4	0	0	0	0	0	114.6
630	H	31.9	Very low	39.4	Very low	170 Å²	170	142.2 Å²	142.2	79%	0.787	77%	0.769	S	S	*	*			cis	-133.5	158.6	11.3	-133.7	-70.8	0	0	0	113
631	E	35	Very low	38.5	Very low	170 Å²	170	143.8 Å²	143.8	79%	0.794	78%	0.779	S	S	*	*			trans	-65.9	141.1	164.6	-60.8	164.8	109.9	0	0	111.8
632	M	34.7	Very low	37.4	Very low	268 Å²	268	151.4 Å²	151.4	100%	1.32	79%	0.793	S	S	*	*			trans	-163.5	0	134	-102.6	-178.5	-163.1	0	0	110.2

Retrieved 632 of 632 residues in 469.8 ms (Link to these results)

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